0 B11R0.148 C#CCCCCCCCC(=O)C 1458a_100000070787_100153394163 [0,0,0,0,0,0|1,0,2]=3 1 B11R0.148 C#CCCCCCCCC(=O)C 1458a_100000087357_200000210301 [0,0,0,0,0,0|1,0,2]=3 2 B11R0.148 C#CCCCCCCCC(=O)[13CH3] 1458a_100000087357_200025704644 [0,0,0,0,0,0|1,0,2]=3 3 B11R0.148 C#CCCCCCNCC(=O)N 2230a_100000711301_100012094781 [0,0,0,0,0,0|2,0,2]=4 4 B11R0.148 C#CCCCCCNCC(=O)O 269956a_100016091260_100012094781 [0,0,0,0,0,0|1,0,2]=3 5 B11R0.148 C#CCCCCCOCC(=O)C 34a_100000211253_100012094781 [0,0,0,0,0,0|2,0,2]=4 6 B11R0.148 C#CCCCCCOCC(=O)N 34a_100000766912_100000187820 [0,0,0,0,0,0|2,0,2]=4 7 B11R0.148 C#CCCCCCOCC(=O)N 7a_100000766912_100000187820 [0,0,0,0,0,0|2,0,2]=4 8 B11R0.148 C#CCCCCCOCC(=O)[O-] 34a_100000766912_100020667443 [0,0,0,0,0,0|1,0,3]=4 9 B11R0.148 C#CCCCCCSCC(=O)N 62a_100000747473_100012094781 [0,0,0,0,0,0|2,0,2]=4 10 B11R0.148 C#CCCCCCSCC(=O)N 62a_100012094781_100000747473 [0,0,0,0,0,0|2,0,2]=4 11 B11R0.148 C#CCCCCCSCC(=O)[O-] 62a_100012094781_100020667443 [0,0,0,0,0,0|1,0,3]=4 12 B11R0.148 C#CCCCCCSCC(=O)[O-] 62a_100020667443_100012094781 [0,0,0,0,0,0|1,0,3]=4 13 B11R0.148 C#CCCCCNCCC(=O)N 2230a_100000706060_100000744528 [0,0,0,0,0,0|2,0,2]=4 14 B11R0.148 C#CCCCCNCCC(=O)N 34a_100000706060_100000731001 [0,0,0,0,0,0|2,0,2]=4 15 B11R0.148 C#CCCCCNOCC(=O)O 269956a_100000106656_100010269958 [0,0,0,0,0,0|2,0,2]=4 16 B11R0.148 C#CCCCCOCCC(=O)C 34a_100000759926_100010269958 [0,0,0,0,0,0|2,0,2]=4 17 B11R0.148 C#CCCCCOCCC(=O)C 7a_100000759926_100010269958 [0,0,0,0,0,0|2,0,2]=4 18 B11R0.148 C#CCCCCOCCC(=O)C 7a_100000766709_100000053229 [0,0,0,0,0,0|2,0,2]=4 19 B11R0.148 C#CCCCCOCCC(=O)N 34a_100000757172_100010269958 [0,0,0,0,0,0|2,0,2]=4 20 B11R0.148 C#CCCCCOCCC(=O)N 34a_100000766709_100000731001 [0,0,0,0,0,0|2,0,2]=4 21 B11R0.148 C#CCCCCOCCC(=O)N 7a_100000757172_100010269958 [0,0,0,0,0,0|2,0,2]=4 22 B11R0.148 C#CCCCCOCCC(=O)N 7a_100000766709_100000744528 [0,0,0,0,0,0|2,0,2]=4 23 B11R0.148 C#CCCCCSCCC(=O)C 62a_100000053229_100010269958 [0,0,0,0,0,0|2,0,2]=4 24 B11R0.148 C#CCCCCSCCC(=O)C 62a_100010269958_100000053229 [0,0,0,0,0,0|2,0,2]=4 25 B11R0.148 C#CCCCCSCCC(=O)N 62a_100000744528_100010269958 [0,0,0,0,0,0|2,0,2]=4 26 B11R0.148 C#CCCCCSCCC(=O)N 62a_100010269958_100000744528 [0,0,0,0,0,0|2,0,2]=4 27 B11R0.148 C#CCCCNCCCC(=O)C 34a_100000718082_100000685027 [0,0,0,0,0,0|2,0,2]=4 28 B11R0.148 C#CCCCNCCCC(=O)N 34a_100000718082_100102525003 [0,0,0,0,0,0|2,0,2]=4 29 B11R0.148 C#CCCCNCCCC(=O)N 34a_100000739312_100000695029 [0,0,0,0,0,0|2,0,2]=4 30 B11R0.148 C#CCCCOCCCC(=O)C 34a_100000215630_100000685027 [0,0,0,0,0,0|2,0,2]=4 31 B11R0.148 C#CCCCOCCCC(=O)C 34a_100000759063_100000695029 [0,0,0,0,0,0|2,0,2]=4 32 B11R0.148 C#CCCCOCCCC(=O)C 7a_100000215630_100011215641 [0,0,0,0,0,0|2,0,2]=4 33 B11R0.148 C#CCCCOCCCC(=O)C 7a_100000759063_100011215417 [0,0,0,0,0,0|2,0,2]=4 34 B11R0.148 C#CCCCOCCCC(=O)N 34a_100000215630_100102525003 [0,0,0,0,0,0|2,0,2]=4 35 B11R0.148 C#CCCCOCCCC(=O)N 7a_100000215630_100102525003 [0,0,0,0,0,0|2,0,2]=4 36 B11R0.148 C#CCCCSCCCC(=O)C 62a_100011215417_100011215641 [0,0,0,0,0,0|2,0,2]=4 37 B11R0.148 C#CCCCSCCCC(=O)C 62a_100011215641_100011215417 [0,0,0,0,0,0|2,0,2]=4 38 B11R0.148 C#CCCCSCCCC(=O)N 62a_100011215417_100102525003 [0,0,0,0,0,0|2,0,2]=4 39 B11R0.148 C#CCCCSCCCC(=O)N 62a_100102525003_100011215417 [0,0,0,0,0,0|2,0,2]=4 40 B11R0.148 C#CCCNCCCCC(=O)C 34a_100000755551_100009817362 [0,0,0,0,0,0|2,0,2]=4 41 B11R0.148 C#CCCNCCCCC(=O)N 34a_100000696515_100000688953 [0,0,0,0,0,0|2,0,2]=4 42 B11R0.148 C#CCCNCCOCC(=O)O 269956a_100000700818_100000688953 [0,0,0,0,0,0|2,0,2]=4 43 B11R0.148 C#CCCOCCCCC(=O)C 34a_100011215631_100009817362 [0,0,0,0,0,0|2,0,2]=4 44 B11R0.148 C#CCCOCCCCC(=O)N 34a_100012022536_100000688953 [0,0,0,0,0,0|2,0,2]=4 45 B11R0.148 C#CCCOCCCCC(=O)N 7a_100012022536_100000688953 [0,0,0,0,0,0|2,0,2]=4 46 B11R0.148 C#CCCSCCCCC(=O)C 62a_100000688953_100000735457 [0,0,0,0,0,0|2,0,2]=4 47 B11R0.148 C#CCCSCCCCC(=O)C 62a_100000735457_100000688953 [0,0,0,0,0,0|2,0,2]=4 48 B11R0.148 C#CCNCCCCCC(=O)N 34a_100000212058_100009817443 [0,0,0,0,0,0|2,0,2]=4 49 B11R0.148 C#CCOCCCCCC(=O)N 34a_100000123541_100000184674 [0,0,0,0,0,0|2,0,2]=4 50 B11R0.148 C#CCOCCCCCC(=O)N 34a_100000210247_100009817443 [0,0,0,0,0,0|2,0,2]=4 51 B11R0.148 C#CCOCCCCCC(=O)N 7a_100000123541_100000038162 [0,0,0,0,0,0|2,0,2]=4 52 B11R0.148 C#CCOCCCCCC(=O)[O-] 7a_100102619762_100000038162 [0,0,0,0,0,0|1,0,3]=4 53 B11R0.148 C#CCSCCCCCC(=O)N 62a_100000038162_100009817443 [0,0,0,0,0,0|2,0,2]=4 54 B11R0.148 C/C=C/CCOCCCC(=O)C 34a_100016278192_100000685027 [0,0,0,0,0,0|2,0,2]=4 55 B11R0.148 C/C=C/CCOCCCC(=O)N 34a_100016278192_100102525003 [0,0,0,0,0,0|2,0,2]=4 56 B11R0.148 C/C=C/CNCCCCC(=O)N 34a_100000696515_100102629194 [0,0,0,0,0,0|2,0,2]=4 57 B11R0.148 C/C=C/CNCCOCC(=O)O 269956a_100000700818_100102629194 [0,0,0,0,0,0|2,0,2]=4 58 B11R0.148 C/C=C/COCCCCC(=O)C 34a_100016270725_100009817362 [0,0,0,0,0,0|2,0,2]=4 59 B11R0.148 C/C=C/COCCCCC(=O)N 34a_100012022536_100102629194 [0,0,0,0,0,0|2,0,2]=4 60 B11R0.148 C/C=C/COCCCCC(=O)N 7a_100012022536_100102629194 [0,0,0,0,0,0|2,0,2]=4 61 B11R0.148 C/C=C/CSCCCCC(=O)C 62a_100000735457_100102629194 [0,0,0,0,0,0|2,0,2]=4 62 B11R0.148 C/C=C/CSCCCCC(=O)C 62a_100102629194_100000735457 [0,0,0,0,0,0|2,0,2]=4 63 B11R0.148 C=C(Br)CCOCCCCCC 34a_100009813270_100000210314 [0,0,0,0,0,0|3,0,0]=3 64 B11R0.148 C=C(Br)CCOCCCCCF 34a_100009813270_100000729378 [0,0,0,0,0,0|4,0,0]=4 65 B11R0.148 C=C(Br)CCOCCCCCO 34a_100009813270_100000746330 [0,0,0,0,0,0|4,0,0]=4 66 B11R0.148 C=C(Br)CCOCCCCOC 34a_100009813270_100000755781 [0,0,0,0,0,0|4,0,0]=4 67 B11R0.148 C=C(Br)CCOCCCOCC 34a_100009813270_100012232248 [0,0,0,0,0,0|4,0,0]=4 68 B11R0.148 C=C(Br)CCOCCOCCC 34a_100009813270_100011215938 [0,0,0,0,0,0|4,0,0]=4 69 B11R0.148 C=C(Br)CCOCOCCCC 34a_100009813270_100011995733 [0,0,0,0,0,0|4,0,0]=4 70 B11R0.148 C=C(C)CCNCCCCCC 2230a_100000210581_100000730704 [0,0,0,0,0,0|3,0,0]=3 71 B11R0.148 C=C(C)CCNCCCCCO 2230a_100000762737_100000730704 [0,0,0,0,0,0|4,0,0]=4 72 B11R0.148 C=C(C)CCNCCCCCO 34a_100000762737_100000730704 [0,0,0,0,0,0|4,0,0]=4 73 B11R0.148 C=C(C)CCNCCCOCC 2230a_100000210961_100000730704 [0,0,0,0,0,0|4,0,0]=4 74 B11R0.148 C=C(C)CCNCCCOCC 34a_100000210961_100000730704 [0,0,0,0,0,0|4,0,0]=4 75 B11R0.148 C=C(C)CCNCCOCCC 2230a_100161115042_100000730704 [0,0,0,0,0,0|4,0,0]=4 76 B11R0.148 C=C(C)CCNCCOCCC 34a_100161115042_100000730704 [0,0,0,0,0,0|4,0,0]=4 77 B11R0.148 C=C(C)CCNCCSCCC 2230a_100020603323_100000730704 [0,0,0,0,0,0|4,0,0]=4 78 B11R0.148 C=C(C)CCOCCCCCBr 34a_100000746331_100000730704 [0,0,0,0,0,0|4,0,0]=4 79 B11R0.148 C=C(C)CCOCCCCCBr 7a_100000746331_100000730704 [0,0,0,0,0,0|4,0,0]=4 80 B11R0.148 C=C(C)CCOCCCCCC 34a_100000210259_100000730704 [0,0,0,0,0,0|3,0,0]=3 81 B11R0.148 C=C(C)CCOCCCCCC 34a_100000764851_100000210314 [0,0,0,0,0,0|3,0,0]=3 82 B11R0.148 C=C(C)CCOCCCCCC 7a_100000210259_100000730704 [0,0,0,0,0,0|3,0,0]=3 83 B11R0.148 C=C(C)CCOCCCCCCl 34a_100000746330_100000730704 [0,0,0,0,0,0|4,0,0]=4 84 B11R0.148 C=C(C)CCOCCCCCCl 7a_100000746330_100000730704 [0,0,0,0,0,0|4,0,0]=4 85 B11R0.148 C=C(C)CCOCCCCCF 34a_100000764851_100000729378 [0,0,0,0,0,0|4,0,0]=4 86 B11R0.148 C=C(C)CCOCCCCCI 34a_200012148887_100000730704 [0,0,0,0,0,0|4,0,0]=4 87 B11R0.148 C=C(C)CCOCCCCCI 7a_200012148887_100000730704 [0,0,0,0,0,0|4,0,0]=4 88 B11R0.148 C=C(C)CCOCCCCCN 34a_100000762737_100000730704 [0,0,0,0,0,0|4,0,0]=4 89 B11R0.148 C=C(C)CCOCCCCCO 34a_100000764851_100000746330 [0,0,0,0,0,0|4,0,0]=4 90 B11R0.148 C=C(C)CCOCCCCOC 34a_100000740925_100000730704 [0,0,0,0,0,0|4,0,0]=4 91 B11R0.148 C=C(C)CCOCCCCOC 34a_100000764851_100000755781 [0,0,0,0,0,0|4,0,0]=4 92 B11R0.148 C=C(C)CCOCCCCSC 34a_100011217163_100000730704 [0,0,0,0,0,0|4,0,0]=4 93 B11R0.148 C=C(C)CCOCCCCSC 7a_100011217163_100000730704 [0,0,0,0,0,0|4,0,0]=4 94 B11R0.148 C=C(C)CCOCCCOCC 34a_100000757476_100000730704 [0,0,0,0,0,0|4,0,0]=4 95 B11R0.148 C=C(C)CCOCCCOCC 34a_100000764851_100012232248 [0,0,0,0,0,0|4,0,0]=4 96 B11R0.148 C=C(C)CCOCCCOCC 7a_100000757476_100000730704 [0,0,0,0,0,0|4,0,0]=4 97 B11R0.148 C=C(C)CCOCCCSCC 34a_100011216438_100000730704 [0,0,0,0,0,0|4,0,0]=4 98 B11R0.148 C=C(C)CCOCCCSCC 7a_100011216438_100000730704 [0,0,0,0,0,0|4,0,0]=4 99 B11R0.148 C=C(C)CCOCCOCCC 34a_100000752267_100000730704 [0,0,0,0,0,0|4,0,0]=4 100 B11R0.148 C=C(C)CCOCCOCCC 34a_100000764851_100011215938 [0,0,0,0,0,0|4,0,0]=4 101 B11R0.148 C=C(C)CCOCCOCCC 7a_100000752267_100000730704 [0,0,0,0,0,0|4,0,0]=4 102 B11R0.148 C=C(C)CCOCCSCCC 34a_200000230433_100000730704 [0,0,0,0,0,0|4,0,0]=4 103 B11R0.148 C=C(C)CCOCCSCCC 7a_200000230433_100000730704 [0,0,0,0,0,0|4,0,0]=4 104 B11R0.148 C=C(C)CCOCOCCCC 34a_100000764851_100011995733 [0,0,0,0,0,0|4,0,0]=4 105 B11R0.148 C=C(C)CCSCCCCCC 62a_100000210314_100000730704 [0,0,0,0,0,0|3,0,0]=3 106 B11R0.148 C=C(C)CCSCCCCCC 62a_100000730704_100000210757 [0,0,0,0,0,0|3,0,0]=3 107 B11R0.148 C=C(C)CCSCCCCCF 62a_100000729378_100000730704 [0,0,0,0,0,0|4,0,0]=4 108 B11R0.148 C=C(C)CCSCCCCCF 62a_100000730704_100000729378 [0,0,0,0,0,0|4,0,0]=4 109 B11R0.148 C=C(C)CCSCCCCCO 62a_100000730704_100000746330 [0,0,0,0,0,0|4,0,0]=4 110 B11R0.148 C=C(C)CCSCCCCCO 62a_100000746330_100000730704 [0,0,0,0,0,0|4,0,0]=4 111 B11R0.148 C=C(C)CCSCCCCOC 62a_100000730704_100000730899 [0,0,0,0,0,0|4,0,0]=4 112 B11R0.148 C=C(C)CCSCCCCOC 62a_100000730899_100000730704 [0,0,0,0,0,0|4,0,0]=4 113 B11R0.148 C=C(C)CCSCCCOCC 62a_100000730704_100012232248 [0,0,0,0,0,0|4,0,0]=4 114 B11R0.148 C=C(C)CCSCCCOCC 62a_100012232248_100000730704 [0,0,0,0,0,0|4,0,0]=4 115 B11R0.148 C=C(C)CCSCCOCCC 62a_100000730704_100011215938 [0,0,0,0,0,0|4,0,0]=4 116 B11R0.148 C=C(C)CCSCCOCCC 62a_100011215938_100000730704 [0,0,0,0,0,0|4,0,0]=4 117 B11R0.148 C=C(C)CCSCOCCCC 62a_100000730704_100011995733 [0,0,0,0,0,0|4,0,0]=4 118 B11R0.148 C=C(C)CCSCOCCCC 62a_100011995733_100000730704 [0,0,0,0,0,0|4,0,0]=4 119 B11R0.148 C=C(C)CNCCCCCCC 2230a_100000229938_100000748629 [0,0,0,0,0,0|3,0,0]=3 120 B11R0.148 C=C(C)CNCCCCCCO 2230a_100000686447_100000748629 [0,0,0,0,0,0|4,0,0]=4 121 B11R0.148 C=C(C)CNCCCCCCO 34a_100000686447_100000748629 [0,0,0,0,0,0|4,0,0]=4 122 B11R0.148 C=C(C)CNCCCCCOC 2230a_100000747528_100000748629 [0,0,0,0,0,0|4,0,0]=4 123 B11R0.148 C=C(C)CNCCCCCOC 34a_100000747528_100000748629 [0,0,0,0,0,0|4,0,0]=4 124 B11R0.148 C=C(C)CNCCCOCCC 2230a_100011217757_100000748629 [0,0,0,0,0,0|4,0,0]=4 125 B11R0.148 C=C(C)CNCCCOCCC 34a_100011217757_100000748629 [0,0,0,0,0,0|4,0,0]=4 126 B11R0.148 C=C(C)CNCCSCCCC 2230a_100025743550_100000748629 [0,0,0,0,0,0|4,0,0]=4 127 B11R0.148 C=C(C)COCCCCCCBr 34a_100011215345_100000748629 [0,0,0,0,0,0|4,0,0]=4 128 B11R0.148 C=C(C)COCCCCCCBr 7a_100011215345_100000748629 [0,0,0,0,0,0|4,0,0]=4 129 B11R0.148 C=C(C)COCCCCCCC 34a_100000210245_100000210614 [0,0,0,0,0,0|3,0,0]=3 130 B11R0.148 C=C(C)COCCCCCCC 34a_100000210272_100000748629 [0,0,0,0,0,0|3,0,0]=3 131 B11R0.148 C=C(C)COCCCCCCC 7a_100000210272_100000748629 [0,0,0,0,0,0|3,0,0]=3 132 B11R0.148 C=C(C)COCCCCCCCl 34a_100000766143_100000748629 [0,0,0,0,0,0|4,0,0]=4 133 B11R0.148 C=C(C)COCCCCCCCl 7a_100000766143_100000748629 [0,0,0,0,0,0|4,0,0]=4 134 B11R0.148 C=C(C)COCCCCCCF 34a_100000210245_100015922095 [0,0,0,0,0,0|4,0,0]=4 135 B11R0.148 C=C(C)COCCCCCCF 34a_100000732779_100000748629 [0,0,0,0,0,0|4,0,0]=4 136 B11R0.148 C=C(C)COCCCCCCF 7a_100000732779_100000748629 [0,0,0,0,0,0|4,0,0]=4 137 B11R0.148 C=C(C)COCCCCCCN 34a_100000686447_100000748629 [0,0,0,0,0,0|4,0,0]=4 138 B11R0.148 C=C(C)COCCCCCCO 34a_100000210245_100000766143 [0,0,0,0,0,0|4,0,0]=4 139 B11R0.148 C=C(C)COCCCCCNC 34a_100000722520_100000748629 [0,0,0,0,0,0|4,0,0]=4 140 B11R0.148 C=C(C)COCCOCCCC 34a_100000210238_100000748629 [0,0,0,0,0,0|4,0,0]=4 141 B11R0.148 C=C(C)COCCOCCCC 34a_100000210245_100000743108 [0,0,0,0,0,0|4,0,0]=4 142 B11R0.148 C=C(C)COCCOCCCC 7a_100000210238_100000748629 [0,0,0,0,0,0|4,0,0]=4 143 B11R0.148 C=C(C)COCCSCCCC 34a_200000230436_100000748629 [0,0,0,0,0,0|4,0,0]=4 144 B11R0.148 C=C(C)COCCSCCCC 7a_200000230436_100000748629 [0,0,0,0,0,0|4,0,0]=4 145 B11R0.148 C=C(C)CSCCCCCCC 62a_100000210614_100000211660 [0,0,0,0,0,0|3,0,0]=3 146 B11R0.148 C=C(C)CSCCCCCCC 62a_100000748629_100000210316 [0,0,0,0,0,0|3,0,0]=3 147 B11R0.148 C=C(C)CSCCCCCCF 62a_100000748629_100015922095 [0,0,0,0,0,0|4,0,0]=4 148 B11R0.148 C=C(C)CSCCCCCCF 62a_100015922095_100000211660 [0,0,0,0,0,0|4,0,0]=4 149 B11R0.148 C=C(C)CSCCCCCCO 62a_100000748629_100000766143 [0,0,0,0,0,0|4,0,0]=4 150 B11R0.148 C=C(C)CSCCCCCCO 62a_100000766143_100000211660 [0,0,0,0,0,0|4,0,0]=4 151 B11R0.148 C=C(C)CSCCOCCCC 62a_100000743108_100000211660 [0,0,0,0,0,0|4,0,0]=4 152 B11R0.148 C=C(C)CSCCOCCCC 62a_100000748629_100000743108 [0,0,0,0,0,0|4,0,0]=4 153 B11R0.148 C=C(F)CNCCCCCCC 2230a_100000229938_100009893438 [0,0,0,0,0,0|3,0,0]=3 154 B11R0.148 C=C(F)CNCCCCCCO 2230a_100000686447_100009893438 [0,0,0,0,0,0|4,0,0]=4 155 B11R0.148 C=C(F)CNCCCCCCO 34a_100000686447_100009893438 [0,0,0,0,0,0|4,0,0]=4 156 B11R0.148 C=C(F)CNCCCCCOC 2230a_100000747528_100009893438 [0,0,0,0,0,0|4,0,0]=4 157 B11R0.148 C=C(F)CNCCCCCOC 34a_100000747528_100009893438 [0,0,0,0,0,0|4,0,0]=4 158 B11R0.148 C=C(F)CNCCCOCCC 2230a_100011217757_100009893438 [0,0,0,0,0,0|4,0,0]=4 159 B11R0.148 C=C(F)CNCCCOCCC 34a_100011217757_100009893438 [0,0,0,0,0,0|4,0,0]=4 160 B11R0.148 C=C(F)CNCCSCCCC 2230a_100025743550_100009893438 [0,0,0,0,0,0|4,0,0]=4 161 B11R0.148 C=C(F)COCCCCCCBr 34a_100011215345_100009893438 [0,0,0,0,0,0|4,0,0]=4 162 B11R0.148 C=C(F)COCCCCCCBr 7a_100011215345_100000042424 [0,0,0,0,0,0|4,0,0]=4 163 B11R0.148 C=C(F)COCCCCCCC 34a_100000210272_100009893438 [0,0,0,0,0,0|3,0,0]=3 164 B11R0.148 C=C(F)COCCCCCCC 34a_200010262243_100000210614 [0,0,0,0,0,0|3,0,0]=3 165 B11R0.148 C=C(F)COCCCCCCC 7a_100000210272_100000042424 [0,0,0,0,0,0|3,0,0]=3 166 B11R0.148 C=C(F)COCCCCCCCl 34a_100000766143_100009893438 [0,0,0,0,0,0|4,0,0]=4 167 B11R0.148 C=C(F)COCCCCCCCl 7a_100000766143_100000042424 [0,0,0,0,0,0|4,0,0]=4 168 B11R0.148 C=C(F)COCCCCCCF 34a_100000732779_100009893438 [0,0,0,0,0,0|4,0,0]=4 169 B11R0.148 C=C(F)COCCCCCCF 34a_200010262243_100015922095 [0,0,0,0,0,0|4,0,0]=4 170 B11R0.148 C=C(F)COCCCCCCF 7a_100000732779_100000042424 [0,0,0,0,0,0|4,0,0]=4 171 B11R0.148 C=C(F)COCCCCCCN 34a_100000686447_100009893438 [0,0,0,0,0,0|4,0,0]=4 172 B11R0.148 C=C(F)COCCCCCCO 34a_200010262243_100000766143 [0,0,0,0,0,0|4,0,0]=4 173 B11R0.148 C=C(F)COCCCCCNC 34a_100000722520_100009893438 [0,0,0,0,0,0|4,0,0]=4 174 B11R0.148 C=C(F)COCCOCCCC 34a_100000210238_100009893438 [0,0,0,0,0,0|4,0,0]=4 175 B11R0.148 C=C(F)COCCOCCCC 34a_200010262243_100000743108 [0,0,0,0,0,0|4,0,0]=4 176 B11R0.148 C=C(F)COCCOCCCC 7a_100000210238_100000042424 [0,0,0,0,0,0|4,0,0]=4 177 B11R0.148 C=C(F)COCCSCCCC 34a_200000230436_100009893438 [0,0,0,0,0,0|4,0,0]=4 178 B11R0.148 C=C(F)COCCSCCCC 7a_200000230436_100000042424 [0,0,0,0,0,0|4,0,0]=4 179 B11R0.148 C=C(F)CSCCCCCCC 62a_100000042424_100000210316 [0,0,0,0,0,0|3,0,0]=3 180 B11R0.148 C=C(F)CSCCCCCCC 62a_100000210614_100000042424 [0,0,0,0,0,0|3,0,0]=3 181 B11R0.148 C=C(F)CSCCCCCCF 62a_100000042424_100015922095 [0,0,0,0,0,0|4,0,0]=4 182 B11R0.148 C=C(F)CSCCCCCCF 62a_100015922095_100000042424 [0,0,0,0,0,0|4,0,0]=4 183 B11R0.148 C=C(F)CSCCCCCCO 62a_100000042424_100000766143 [0,0,0,0,0,0|4,0,0]=4 184 B11R0.148 C=C(F)CSCCCCCCO 62a_100000766143_100000042424 [0,0,0,0,0,0|4,0,0]=4 185 B11R0.148 C=C(F)CSCCOCCCC 62a_100000042424_100000743108 [0,0,0,0,0,0|4,0,0]=4 186 B11R0.148 C=C(F)CSCCOCCCC 62a_100000743108_100000042424 [0,0,0,0,0,0|4,0,0]=4 187 B11R0.148 C=CCCCCCCCC(=O)C 1458a_100000070787_100012355270 [0,0,0,0,0,0|1,0,2]=3 188 B11R0.148 C=CCCCCCCCC(=O)C 1458a_100011216160_200000210301 [0,0,0,0,0,0|1,0,2]=3 189 B11R0.148 C=CCCCCCCCC(=O)[13CH3] 1458a_100011216160_200025704644 [0,0,0,0,0,0|1,0,2]=3 190 B11R0.148 C=CCCCCCNCC(=O)N 2230a_100000711301_100000700193 [0,0,0,0,0,0|2,0,2]=4 191 B11R0.148 C=CCCCCCNCC(=O)O 269956a_100016091260_100000700193 [0,0,0,0,0,0|1,0,2]=3 192 B11R0.148 C=CCCCCCOCC(=O)C 34a_100000211253_100000700193 [0,0,0,0,0,0|2,0,2]=4 193 B11R0.148 C=CCCCCCOCC(=O)N 34a_100011216702_100000187820 [0,0,0,0,0,0|2,0,2]=4 194 B11R0.148 C=CCCCCCOCC(=O)N 7a_100011216702_100000187820 [0,0,0,0,0,0|2,0,2]=4 195 B11R0.148 C=CCCCCCOCC(=O)[O-] 34a_100011216702_100020667443 [0,0,0,0,0,0|1,0,3]=4 196 B11R0.148 C=CCCCCCSCC(=O)N 62a_100000700193_100000747473 [0,0,0,0,0,0|2,0,2]=4 197 B11R0.148 C=CCCCCCSCC(=O)N 62a_100000747473_100000700193 [0,0,0,0,0,0|2,0,2]=4 198 B11R0.148 C=CCCCCCSCC(=O)[O-] 62a_100000700193_100020667443 [0,0,0,0,0,0|1,0,3]=4 199 B11R0.148 C=CCCCCCSCC(=O)[O-] 62a_100020667443_100000700193 [0,0,0,0,0,0|1,0,3]=4 200 B11R0.148 C=CCCCCNCCC(=O)N 2230a_100000703577_100000744528 [0,0,0,0,0,0|2,0,2]=4 201 B11R0.148 C=CCCCCNCCC(=O)N 34a_100000703577_100000731001 [0,0,0,0,0,0|2,0,2]=4 202 B11R0.148 C=CCCCCNOCC(=O)O 269956a_100000106656_100011215482 [0,0,0,0,0,0|2,0,2]=4 203 B11R0.148 C=CCCCCOCCC(=O)C 34a_100000759926_100011215482 [0,0,0,0,0,0|2,0,2]=4 204 B11R0.148 C=CCCCCOCCC(=O)C 7a_100000759926_100011215482 [0,0,0,0,0,0|2,0,2]=4 205 B11R0.148 C=CCCCCOCCC(=O)C 7a_100000766645_100000053229 [0,0,0,0,0,0|2,0,2]=4 206 B11R0.148 C=CCCCCOCCC(=O)N 34a_100000757172_100011215482 [0,0,0,0,0,0|2,0,2]=4 207 B11R0.148 C=CCCCCOCCC(=O)N 34a_100000766645_100000731001 [0,0,0,0,0,0|2,0,2]=4 208 B11R0.148 C=CCCCCOCCC(=O)N 7a_100000757172_100011215482 [0,0,0,0,0,0|2,0,2]=4 209 B11R0.148 C=CCCCCOCCC(=O)N 7a_100000766645_100000744528 [0,0,0,0,0,0|2,0,2]=4 210 B11R0.148 C=CCCCCSCCC(=O)C 62a_100000053229_100011215482 [0,0,0,0,0,0|2,0,2]=4 211 B11R0.148 C=CCCCCSCCC(=O)C 62a_100011215482_100000053229 [0,0,0,0,0,0|2,0,2]=4 212 B11R0.148 C=CCCCCSCCC(=O)N 62a_100000744528_100011215482 [0,0,0,0,0,0|2,0,2]=4 213 B11R0.148 C=CCCCCSCCC(=O)N 62a_100011215482_100000744528 [0,0,0,0,0,0|2,0,2]=4 214 B11R0.148 C=CCCCNCCCC(=O)C 34a_100000700776_100000685027 [0,0,0,0,0,0|2,0,2]=4 215 B11R0.148 C=CCCCNCCCC(=O)N 34a_100000700776_100102525003 [0,0,0,0,0,0|2,0,2]=4 216 B11R0.148 C=CCCCNCCCC(=O)N 34a_100000739312_100000757094 [0,0,0,0,0,0|2,0,2]=4 217 B11R0.148 C=CCCCOCCCC(=O)C 34a_100000758997_100000685027 [0,0,0,0,0,0|2,0,2]=4 218 B11R0.148 C=CCCCOCCCC(=O)C 34a_100000759063_100000757094 [0,0,0,0,0,0|2,0,2]=4 219 B11R0.148 C=CCCCOCCCC(=O)C 7a_100000758997_100011215641 [0,0,0,0,0,0|2,0,2]=4 220 B11R0.148 C=CCCCOCCCC(=O)C 7a_100000759063_100000757094 [0,0,0,0,0,0|2,0,2]=4 221 B11R0.148 C=CCCCOCCCC(=O)N 34a_100000758997_100102525003 [0,0,0,0,0,0|2,0,2]=4 222 B11R0.148 C=CCCCOCCCC(=O)N 7a_100000758997_100102525003 [0,0,0,0,0,0|2,0,2]=4 223 B11R0.148 C=CCCCSCCCC(=O)C 62a_100011215641_100000757094 [0,0,0,0,0,0|2,0,2]=4 224 B11R0.148 C=CCCCSCCCC(=O)C 62a_100011713584_100011215641 [0,0,0,0,0,0|2,0,2]=4 225 B11R0.148 C=CCCCSCCCC(=O)N 62a_100011713584_100102525003 [0,0,0,0,0,0|2,0,2]=4 226 B11R0.148 C=CCCCSCCCC(=O)N 62a_100102525003_100000757094 [0,0,0,0,0,0|2,0,2]=4 227 B11R0.148 C=CCCNCCCCC(=O)N 34a_100000696515_100000754431 [0,0,0,0,0,0|2,0,2]=4 228 B11R0.148 C=CCCNCCOCC(=O)O 269956a_100000700818_100000754431 [0,0,0,0,0,0|2,0,2]=4 229 B11R0.148 C=CCCOCCCCC(=O)C 34a_100011205117_100009817362 [0,0,0,0,0,0|2,0,2]=4 230 B11R0.148 C=CCCOCCCCC(=O)N 34a_100012022536_100000754431 [0,0,0,0,0,0|2,0,2]=4 231 B11R0.148 C=CCCOCCCCC(=O)N 7a_100012022536_100000754431 [0,0,0,0,0,0|2,0,2]=4 232 B11R0.148 C=CCCSCCCCC(=O)C 62a_100000735457_100000754431 [0,0,0,0,0,0|2,0,2]=4 233 B11R0.148 C=CCCSCCCCC(=O)C 62a_100000754431_100000735457 [0,0,0,0,0,0|2,0,2]=4 234 B11R0.148 C=CCNCCCCCC(=O)N 2230a_100020586998_100009817443 [0,0,0,0,0,0|2,0,2]=4 235 B11R0.148 C=CCOCCCCCC(=O)N 34a_100000123541_100015514636 [0,0,0,0,0,0|2,0,2]=4 236 B11R0.148 C=CCOCCCCCC(=O)N 34a_200000210373_100009817443 [0,0,0,0,0,0|2,0,2]=4 237 B11R0.148 C=CCOCCCCCC(=O)N 7a_100000123541_100015514636 [0,0,0,0,0,0|2,0,2]=4 238 B11R0.148 C=CCOCCCCCC(=O)[O-] 7a_100102619762_100015514636 [0,0,0,0,0,0|1,0,3]=4 239 B11R0.148 C=CCSCCCCCC(=O)N 62a_100000210623_100009817443 [0,0,0,0,0,0|2,0,2]=4 240 B11R0.148 C=CCSCCCCCC(=O)N 62a_100009817443_100000210623 [0,0,0,0,0,0|2,0,2]=4 241 B11R0.148 CC#CCCOCCCC(=O)C 34a_100000750427_100000685027 [0,0,0,0,0,0|2,0,2]=4 242 B11R0.148 CC#CCCOCCCC(=O)N 34a_100000750427_100102525003 [0,0,0,0,0,0|2,0,2]=4 243 B11R0.148 CC#CCNCCCCC(=O)C 34a_100000685387_100009817362 [0,0,0,0,0,0|2,0,2]=4 244 B11R0.148 CC#CCNCCCCC(=O)N 34a_100000696515_100000748600 [0,0,0,0,0,0|2,0,2]=4 245 B11R0.148 CC#CCNCCOCC(=O)O 269956a_100000700818_100000748600 [0,0,0,0,0,0|2,0,2]=4 246 B11R0.148 CC#CCOCCCCC(=O)C 34a_100000761923_100009817362 [0,0,0,0,0,0|2,0,2]=4 247 B11R0.148 CC#CCOCCCCC(=O)N 34a_100012022536_100000748600 [0,0,0,0,0,0|2,0,2]=4 248 B11R0.148 CC#CCOCCCCC(=O)N 7a_100012022536_100000748600 [0,0,0,0,0,0|2,0,2]=4 249 B11R0.148 CC#CCSCCCCC(=O)C 62a_100000735457_100000748600 [0,0,0,0,0,0|2,0,2]=4 250 B11R0.148 CC#CCSCCCCC(=O)C 62a_100000748600_100000735457 [0,0,0,0,0,0|2,0,2]=4 251 B11R0.148 CC(=O)CCCCCCCCO 1458a_100000070787_100000033203 [0,0,0,0,0,0|2,0,0]=2 252 B11R0.148 CC(=O)CCCCNCCCF 34a_100015189416_100009817362 [0,0,0,0,0,0|3,0,0]=3 253 B11R0.148 CC(=O)CCCCOCCCBr 34a_100011217188_100009817362 [0,0,0,0,0,0|3,0,0]=3 254 B11R0.148 CC(=O)CCCCOCCCCl 34a_100000230001_100009817362 [0,0,0,0,0,0|3,0,0]=3 255 B11R0.148 CC(=O)CCCCOCCCF 34a_100000759539_100009817362 [0,0,0,0,0,0|3,0,0]=3 256 B11R0.148 CC(=O)CCCCOCCCN 34a_100000182051_100009817362 [0,0,0,0,0,0|3,0,0]=3 257 B11R0.148 CC(=O)CCCCOCCON 34a_100000700252_100009817362 [0,0,0,0,0,0|4,0,0]=4 258 B11R0.148 CC(=O)CCCCSCCC#N 62a_100000735457_100011215226 [0,0,0,0,0,0|3,0,1]=4 259 B11R0.148 CC(=O)CCCCSCCC#N 62a_100011215226_100000735457 [0,0,0,0,0,0|3,0,1]=4 260 B11R0.148 CC(=O)CCCCSCCCF 62a_100000735457_100011934791 [0,0,0,0,0,0|3,0,0]=3 261 B11R0.148 CC(=O)CCCCSCCCF 62a_100011934791_100000735457 [0,0,0,0,0,0|3,0,0]=3 262 B11R0.148 CC(=O)CCCCSCCCO 62a_100000735457_100011215043 [0,0,0,0,0,0|3,0,0]=3 263 B11R0.148 CC(=O)CCCCSCCCO 62a_100011215043_100000735457 [0,0,0,0,0,0|3,0,0]=3 264 B11R0.148 CC(=O)CCCNCCCCO 34a_100000750430_100000685027 [0,0,0,0,0,0|3,0,0]=3 265 B11R0.148 CC(=O)CCCOCCCC#N 7a_100000759063_100000687738 [0,0,0,0,0,0|3,0,1]=4 266 B11R0.148 CC(=O)CCCOCCCC=O 7a_100000759063_200011292268 [0,0,0,0,0,0|3,0,1]=4 267 B11R0.148 CC(=O)CCCOCCCCBr 34a_100011216708_100000685027 [0,0,0,0,0,0|3,0,0]=3 268 B11R0.148 CC(=O)CCCOCCCCCl 34a_100000210776_100000685027 [0,0,0,0,0,0|3,0,0]=3 269 B11R0.148 CC(=O)CCCOCCCCCl 7a_100000210776_100011215641 [0,0,0,0,0,0|3,0,0]=3 270 B11R0.148 CC(=O)CCCOCCCCF 34a_100000759063_100000729493 [0,0,0,0,0,0|3,0,0]=3 271 B11R0.148 CC(=O)CCCOCCCCF 34a_100011995726_100000685027 [0,0,0,0,0,0|3,0,0]=3 272 B11R0.148 CC(=O)CCCOCCCCF 7a_100000759063_100000729493 [0,0,0,0,0,0|3,0,0]=3 273 B11R0.148 CC(=O)CCCOCCCCF 7a_100011995726_100011215641 [0,0,0,0,0,0|3,0,0]=3 274 B11R0.148 CC(=O)CCCOCCCCI 34a_200012148704_100000685027 [0,0,0,0,0,0|3,0,0]=3 275 B11R0.148 CC(=O)CCCOCCCCN 34a_100000750430_100000685027 [0,0,0,0,0,0|3,0,0]=3 276 B11R0.148 CC(=O)CCCOCCCCO 34a_100000759063_100011216708 [0,0,0,0,0,0|3,0,0]=3 277 B11R0.148 CC(=O)CCCOCCCCO 7a_100000759063_100000210776 [0,0,0,0,0,0|3,0,0]=3 278 B11R0.148 CC(=O)CCCSCCCC#N 62a_100000687738_100011215641 [0,0,0,0,0,0|3,0,1]=4 279 B11R0.148 CC(=O)CCCSCCCC#N 62a_100011215641_100000687738 [0,0,0,0,0,0|3,0,1]=4 280 B11R0.148 CC(=O)CCCSCCCC=O 62a_100011215641_200011292268 [0,0,0,0,0,0|3,0,1]=4 281 B11R0.148 CC(=O)CCCSCCCC=O 62a_200011292268_100011215641 [0,0,0,0,0,0|3,0,1]=4 282 B11R0.148 CC(=O)CCCSCCCCF 62a_100000729493_100011215641 [0,0,0,0,0,0|3,0,0]=3 283 B11R0.148 CC(=O)CCCSCCCCF 62a_100011215641_100000729493 [0,0,0,0,0,0|3,0,0]=3 284 B11R0.148 CC(=O)CCCSCCCCO 62a_100000210776_100011215641 [0,0,0,0,0,0|3,0,0]=3 285 B11R0.148 CC(=O)CCCSCCCCO 62a_100011215641_100000210776 [0,0,0,0,0,0|3,0,0]=3 286 B11R0.148 CC(=O)CCOCCCCC#N 7a_100000759926_100000211819 [0,0,0,0,0,0|3,0,1]=4 287 B11R0.148 CC(=O)CCOCCCCC=O 7a_100000759926_100000139335 [0,0,0,0,0,0|3,0,1]=4 288 B11R0.148 CC(=O)CCOCCCCCBr 7a_100000746331_100000053229 [0,0,0,0,0,0|3,0,0]=3 289 B11R0.148 CC(=O)CCOCCCCCCl 7a_100000746330_100000053229 [0,0,0,0,0,0|3,0,0]=3 290 B11R0.148 CC(=O)CCOCCCCCF 34a_100000759926_100000729378 [0,0,0,0,0,0|3,0,0]=3 291 B11R0.148 CC(=O)CCOCCCCCF 7a_100000759926_100000729378 [0,0,0,0,0,0|3,0,0]=3 292 B11R0.148 CC(=O)CCOCCCCCI 7a_200012148887_100000053229 [0,0,0,0,0,0|3,0,0]=3 293 B11R0.148 CC(=O)CCOCCCCCO 34a_100000759926_100000746330 [0,0,0,0,0,0|3,0,0]=3 294 B11R0.148 CC(=O)CCOCCCCCO 7a_100000759926_100000746330 [0,0,0,0,0,0|3,0,0]=3 295 B11R0.148 CC(=O)CCOCCOCCBr 7a_100000692535_100000053229 [0,0,0,0,0,0|4,0,0]=4 296 B11R0.148 CC(=O)CCOCCOCCCl 7a_100011215305_100000053229 [0,0,0,0,0,0|4,0,0]=4 297 B11R0.148 CC(=O)CCOCCOCCF 7a_200015357709_100000053229 [0,0,0,0,0,0|4,0,0]=4 298 B11R0.148 CC(=O)CCOCCOCCI 7a_100012149058_100000053229 [0,0,0,0,0,0|4,0,0]=4 299 B11R0.148 CC(=O)CCOCCOCCO 1458a_100000070787_100000032323 [0,0,0,0,0,0|4,0,0]=4 300 B11R0.148 CC(=O)CCOCCOCCO 1458a_100009915118_200000210301 [0,0,0,0,0,0|4,0,0]=4 301 B11R0.148 CC(=O)CCOCCOCCO 34a_100000759926_100000692535 [0,0,0,0,0,0|4,0,0]=4 302 B11R0.148 CC(=O)CCOCCOCCO 7a_100000759926_100011215305 [0,0,0,0,0,0|4,0,0]=4 303 B11R0.148 CC(=O)CCSCCCCC#N 62a_100000053229_100000211819 [0,0,0,0,0,0|3,0,1]=4 304 B11R0.148 CC(=O)CCSCCCCC#N 62a_100011219923_100000053229 [0,0,0,0,0,0|3,0,1]=4 305 B11R0.148 CC(=O)CCSCCCCC=O 62a_100000053229_100000139335 [0,0,0,0,0,0|3,0,1]=4 306 B11R0.148 CC(=O)CCSCCCCC=O 62a_100000139335_100000053229 [0,0,0,0,0,0|3,0,1]=4 307 B11R0.148 CC(=O)CCSCCCCCF 62a_100000053229_100000729378 [0,0,0,0,0,0|3,0,0]=3 308 B11R0.148 CC(=O)CCSCCCCCF 62a_100000729378_100000053229 [0,0,0,0,0,0|3,0,0]=3 309 B11R0.148 CC(=O)CCSCCCCCO 62a_100000053229_100000746330 [0,0,0,0,0,0|3,0,0]=3 310 B11R0.148 CC(=O)CCSCCCCCO 62a_100000746330_100000053229 [0,0,0,0,0,0|3,0,0]=3 311 B11R0.148 CC(=O)CCSCCOCCO 62a_100000053229_100011215305 [0,0,0,0,0,0|4,0,0]=4 312 B11R0.148 CC(=O)CCSCCOCCO 62a_100011215305_100000053229 [0,0,0,0,0,0|4,0,0]=4 313 B11R0.148 CC(=O)COCCCCCCF 34a_100000211253_100015922095 [0,0,0,0,0,0|3,0,0]=3 314 B11R0.148 CC(=O)COCCCCCCO 34a_100000211253_100000766143 [0,0,0,0,0,0|3,0,0]=3 315 B11R0.148 CC(=O)NCCCCCCCO 240690a_100011996573_100015343762 [0,0,0,0,0,0|3,0,0]=3 316 B11R0.148 CC(=O)NCCCCCCN[13CH3] 2230a_200011996284_200025704644 [0,0,0,0,0,0|3,0,0]=3 317 B11R0.148 CC(=O)NCCCCCCN[13CH3] 34a_200011996284_200025704644 [0,0,0,0,0,0|3,0,0]=3 318 B11R0.148 CC(=O)NCCCCCNCF 34a_200012022750_100015361967 [0,0,0,0,0,0|4,0,0]=4 319 B11R0.148 CC(=O)NCCCCNCCF 2230a_200011368371_100011217306 [0,0,0,0,0,0|4,0,0]=4 320 B11R0.148 CC(=O)NCCCCNCCF 34a_200011368371_100011217306 [0,0,0,0,0,0|4,0,0]=4 321 B11R0.148 CC(=O)NCCCCNCCO 2230a_200011368371_100000211926 [0,0,0,0,0,0|4,0,0]=4 322 B11R0.148 CC(=O)NCCCCNCCO 34a_200011368371_100000211926 [0,0,0,0,0,0|4,0,0]=4 323 B11R0.148 CC(=O)NCCCNCCCF 34a_100000736810_100011934791 [0,0,0,0,0,0|4,0,0]=4 324 B11R0.148 CC(=O)NCCCNCCCO 34a_100000736810_100000230001 [0,0,0,0,0,0|4,0,0]=4 325 B11R0.148 CC(=O)NCCCOCCCF 34a_100000752032_100011934791 [0,0,0,0,0,0|4,0,0]=4 326 B11R0.148 CC(=O)NCCCOCCCO 240690a_100011310245_100015343762 [0,0,0,0,0,0|4,0,0]=4 327 B11R0.148 CC(=O)NCCCOCCCO 34a_100000752032_100000230001 [0,0,0,0,0,0|4,0,0]=4 328 B11R0.148 CC(=O)NCCNCCCCF 2230a_100000209853_100000729493 [0,0,0,0,0,0|4,0,0]=4 329 B11R0.148 CC(=O)NCCNCCCCO 2230a_100000209853_100000210776 [0,0,0,0,0,0|4,0,0]=4 330 B11R0.148 CC(=O)NCCNCCCCO 2230a_100000750430_100000189650 [0,0,0,0,0,0|4,0,0]=4 331 B11R0.148 CC(=O)NCCOCCCCCl 7a_100000210776_100000189650 [0,0,0,0,0,0|4,0,0]=4 332 B11R0.148 CC(=O)NCCOCCCCF 34a_100000158858_100000729493 [0,0,0,0,0,0|4,0,0]=4 333 B11R0.148 CC(=O)NCCOCCCCF 7a_100011995726_100000189650 [0,0,0,0,0,0|4,0,0]=4 334 B11R0.148 CC(=O)NCCOCCCCO 34a_100000158858_100011216708 [0,0,0,0,0,0|4,0,0]=4 335 B11R0.148 CC(=O)NCCSCCCCF 62a_100000189650_100000729493 [0,0,0,0,0,0|4,0,0]=4 336 B11R0.148 CC(=O)NCCSCCCCF 62a_100000729493_100000189650 [0,0,0,0,0,0|4,0,0]=4 337 B11R0.148 CC(=O)NCCSCCCCO 62a_100000189650_100000210776 [0,0,0,0,0,0|4,0,0]=4 338 B11R0.148 CC(=O)NCCSCCCCO 62a_100000210776_100000189650 [0,0,0,0,0,0|4,0,0]=4 339 B11R0.148 CC(=O)OCCCCCSCF 62a_100000033007_100015361967 [0,0,0,0,0,0|4,0,0]=4 340 B11R0.148 CC(=O)OCCCCCSCF 62a_100015361967_100000033007 [0,0,0,0,0,0|4,0,0]=4 341 B11R0.148 CC(=O)OCCCCNCCF 34a_100000724931_100000033659 [0,0,0,0,0,0|4,0,0]=4 342 B11R0.148 CC(=O)OCCCCNCCO 34a_100016990907_100000033659 [0,0,0,0,0,0|4,0,0]=4 343 B11R0.148 CC(=O)OCCCCOCCBr 34a_100000211926_100000033659 [0,0,0,0,0,0|4,0,0]=4 344 B11R0.148 CC(=O)OCCCCOCCF 34a_100000073216_100011217306 [0,0,0,0,0,0|4,0,0]=4 345 B11R0.148 CC(=O)OCCCCOCCF 7a_100000073216_100011217306 [0,0,0,0,0,0|4,0,0]=4 346 B11R0.148 CC(=O)OCCCCOCCN 34a_100000210304_100000033659 [0,0,0,0,0,0|4,0,0]=4 347 B11R0.148 CC(=O)OCCCCOCCO 34a_100000073216_100000211926 [0,0,0,0,0,0|4,0,0]=4 348 B11R0.148 CC(=O)OCCCCOCCO 7a_100000073216_100000211926 [0,0,0,0,0,0|4,0,0]=4 349 B11R0.148 CC(=O)OCCCCSCCF 62a_100000033659_100011217306 [0,0,0,0,0,0|4,0,0]=4 350 B11R0.148 CC(=O)OCCCCSCCF 62a_100011217306_100000033659 [0,0,0,0,0,0|4,0,0]=4 351 B11R0.148 CC(=O)OCCCCSCCO 62a_100000033659_100000211926 [0,0,0,0,0,0|4,0,0]=4 352 B11R0.148 CC(=O)OCCCCSCCO 62a_100000211926_100000033659 [0,0,0,0,0,0|4,0,0]=4 353 B11R0.148 CC(=O)OCCCNCCCF 34a_100015189416_100000042594 [0,0,0,0,0,0|4,0,0]=4 354 B11R0.148 CC(=O)OCCCOCCCBr 34a_100011217188_100000042594 [0,0,0,0,0,0|4,0,0]=4 355 B11R0.148 CC(=O)OCCCOCCCCl 34a_100000230001_100000042594 [0,0,0,0,0,0|4,0,0]=4 356 B11R0.148 CC(=O)OCCCOCCCF 34a_100000759539_100000042594 [0,0,0,0,0,0|4,0,0]=4 357 B11R0.148 CC(=O)OCCCOCCCN 34a_100000182051_100000042594 [0,0,0,0,0,0|4,0,0]=4 358 B11R0.148 CC(=O)OCCCSCCCF 62a_100000042594_100011934791 [0,0,0,0,0,0|4,0,0]=4 359 B11R0.148 CC(=O)OCCCSCCCF 62a_100011934791_100000042594 [0,0,0,0,0,0|4,0,0]=4 360 B11R0.148 CC(=O)OCCCSCCCO 62a_100000042594_100011215043 [0,0,0,0,0,0|4,0,0]=4 361 B11R0.148 CC(=O)OCCCSCCCO 62a_100011215043_100000042594 [0,0,0,0,0,0|4,0,0]=4 362 B11R0.148 CC(=O)OCCNCCCCO 34a_100000750430_100009814007 [0,0,0,0,0,0|4,0,0]=4 363 B11R0.148 CC(=O)OCCOCCCCBr 34a_100011216708_100009814007 [0,0,0,0,0,0|4,0,0]=4 364 B11R0.148 CC(=O)OCCOCCCCCl 34a_100000210776_100009814007 [0,0,0,0,0,0|4,0,0]=4 365 B11R0.148 CC(=O)OCCOCCCCCl 7a_100000210776_100009814007 [0,0,0,0,0,0|4,0,0]=4 366 B11R0.148 CC(=O)OCCOCCCCF 34a_100011995726_100009814007 [0,0,0,0,0,0|4,0,0]=4 367 B11R0.148 CC(=O)OCCOCCCCF 7a_100011995726_100009814007 [0,0,0,0,0,0|4,0,0]=4 368 B11R0.148 CC(=O)OCCOCCCCI 34a_200012148704_100009814007 [0,0,0,0,0,0|4,0,0]=4 369 B11R0.148 CC(=O)OCCOCCCCN 34a_100000750430_100009814007 [0,0,0,0,0,0|4,0,0]=4 370 B11R0.148 CC(=O)OCCSCCCCF 62a_100000729493_100009814007 [0,0,0,0,0,0|4,0,0]=4 371 B11R0.148 CC(=O)OCCSCCCCF 62a_100009814007_100000729493 [0,0,0,0,0,0|4,0,0]=4 372 B11R0.148 CC(=O)OCCSCCCCO 62a_100000210776_100009814007 [0,0,0,0,0,0|4,0,0]=4 373 B11R0.148 CC(=O)OCCSCCCCO 62a_100009814007_100000210776 [0,0,0,0,0,0|4,0,0]=4 374 B11R0.148 CC(=O)OCNCCCCCO 34a_100000762737_100009813279 [0,0,0,0,0,0|4,0,0]=4 375 B11R0.148 CC(=O)OCOCCCCCBr 34a_100000746331_100009813279 [0,0,0,0,0,0|4,0,0]=4 376 B11R0.148 CC(=O)OCOCCCCCCl 34a_100000746330_100009813279 [0,0,0,0,0,0|4,0,0]=4 377 B11R0.148 CC(=O)OCOCCCCCI 34a_200012148887_100009813279 [0,0,0,0,0,0|4,0,0]=4 378 B11R0.148 CC(=O)OCOCCCCCN 34a_100000762737_100009813279 [0,0,0,0,0,0|4,0,0]=4 379 B11R0.148 CC(=O)OCSCCCCCF 62a_100000076356_100000729378 [0,0,0,0,0,0|4,0,0]=4 380 B11R0.148 CC(=O)OCSCCCCCF 62a_100000729378_100000076356 [0,0,0,0,0,0|4,0,0]=4 381 B11R0.148 CC(=O)OCSCCCCCO 62a_100000076356_100000746330 [0,0,0,0,0,0|4,0,0]=4 382 B11R0.148 CC(=O)OCSCCCCCO 62a_100000746330_100000076356 [0,0,0,0,0,0|4,0,0]=4 383 B11R0.148 CC(=O)SCCCCNCCF 34a_100000724931_200010402107 [0,0,0,0,0,0|4,0,0]=4 384 B11R0.148 CC(=O)SCCCCNCCO 2230a_100016997473_200010402107 [0,0,0,0,0,0|4,0,0]=4 385 B11R0.148 CC(=O)SCCCCNCCO 34a_100016990907_200010402107 [0,0,0,0,0,0|4,0,0]=4 386 B11R0.148 CC(=O)SCCCCOCCBr 34a_100000211926_200010402107 [0,0,0,0,0,0|4,0,0]=4 387 B11R0.148 CC(=O)SCCCCOCCN 34a_100000210304_200010402107 [0,0,0,0,0,0|4,0,0]=4 388 B11R0.148 CC(=O)SCCCCSCCF 62a_100011217306_200010402107 [0,0,0,0,0,0|4,0,0]=4 389 B11R0.148 CC(=O)SCCCCSCCF 62a_200010402107_100011217306 [0,0,0,0,0,0|4,0,0]=4 390 B11R0.148 CC(=O)SCCCCSCCO 62a_100000211926_200010402107 [0,0,0,0,0,0|4,0,0]=4 391 B11R0.148 CC(=O)SCCCCSCCO 62a_200010402107_100000211926 [0,0,0,0,0,0|4,0,0]=4 392 B11R0.148 CC(=O)SCCCNCCCF 2230a_100015189416_100000038929 [0,0,0,0,0,0|4,0,0]=4 393 B11R0.148 CC(=O)SCCCNCCCF 34a_100015189416_100000038929 [0,0,0,0,0,0|4,0,0]=4 394 B11R0.148 CC(=O)SCCCOCCCBr 34a_100011217188_100000038929 [0,0,0,0,0,0|4,0,0]=4 395 B11R0.148 CC(=O)SCCCOCCCCl 34a_100000230001_100000038929 [0,0,0,0,0,0|4,0,0]=4 396 B11R0.148 CC(=O)SCCCOCCCF 34a_100000759539_100000038929 [0,0,0,0,0,0|4,0,0]=4 397 B11R0.148 CC(=O)SCCCOCCCN 34a_100000182051_100000038929 [0,0,0,0,0,0|4,0,0]=4 398 B11R0.148 CC(=O)SCCCSCCCF 62a_100000038929_100011934791 [0,0,0,0,0,0|4,0,0]=4 399 B11R0.148 CC(=O)SCCCSCCCF 62a_100011934791_100000038929 [0,0,0,0,0,0|4,0,0]=4 400 B11R0.148 CC(=O)SCCCSCCCO 62a_100000038929_100011215043 [0,0,0,0,0,0|4,0,0]=4 401 B11R0.148 CC(=O)SCCCSCCCO 62a_100011215043_100000038929 [0,0,0,0,0,0|4,0,0]=4 402 B11R0.148 CC(C)CCCCCCCO[13CH3] 34a_200000210741_200025704644 [0,0,0,0,0,0|3,0,1]=4 403 B11R0.148 CC(C)CCCCCCCO[13CH3] 7a_200000210741_200025704644 [0,0,0,0,0,0|3,0,1]=4 404 B11R0.148 CC(O)CCCNCCCCO 2230a_100000750430_200000718107 [0,0,0,0,0,0|3,0,1]=4 405 B11R0.148 CC(O)CCCNCCCCO 34a_100000750430_200000718107 [0,0,0,0,0,0|3,0,1]=4 406 B11R0.148 CC(O)CCCOCCCCBr 34a_100011216708_200000718107 [0,0,0,0,0,0|3,0,1]=4 407 B11R0.148 CC(O)CCCOCCCCCl 34a_100000210776_200000718107 [0,0,0,0,0,0|3,0,1]=4 408 B11R0.148 CC(O)CCCOCCCCCl 7a_100000210776_200000718107 [0,0,0,0,0,0|3,0,1]=4 409 B11R0.148 CC(O)CCCOCCCCF 34a_100011995726_200000718107 [0,0,0,0,0,0|3,0,1]=4 410 B11R0.148 CC(O)CCCOCCCCF 7a_100011995726_200000718107 [0,0,0,0,0,0|3,0,1]=4 411 B11R0.148 CC(O)CCCOCCCCI 34a_200012148704_200000718107 [0,0,0,0,0,0|3,0,1]=4 412 B11R0.148 CC(O)CCCOCCCCN 34a_100000750430_200000718107 [0,0,0,0,0,0|3,0,1]=4 413 B11R0.148 CC(O)CCCSCCCCF 62a_100000729493_200000718107 [0,0,0,0,0,0|3,0,1]=4 414 B11R0.148 CC(O)CCCSCCCCF 62a_200000718107_100000729493 [0,0,0,0,0,0|3,0,1]=4 415 B11R0.148 CC(O)CCCSCCCCO 62a_100000210776_200000718107 [0,0,0,0,0,0|3,0,1]=4 416 B11R0.148 CC(O)CCCSCCCCO 62a_200000718107_100000210776 [0,0,0,0,0,0|3,0,1]=4 417 B11R0.148 CC(O)CCNCCCCCF 2230a_200000755665_100000729378 [0,0,0,0,0,0|3,0,1]=4 418 B11R0.148 CC(O)CCNCCCCCO 2230a_100000762737_100012276601 [0,0,0,0,0,0|3,0,1]=4 419 B11R0.148 CC(O)CCNCCCCCO 2230a_200000755665_100000746330 [0,0,0,0,0,0|3,0,1]=4 420 B11R0.148 CC(O)CCNCCCCCO 34a_100000762737_100012276601 [0,0,0,0,0,0|3,0,1]=4 421 B11R0.148 CC(O)CCOCCCCCBr 34a_100000746331_100012276601 [0,0,0,0,0,0|3,0,1]=4 422 B11R0.148 CC(O)CCOCCCCCBr 7a_100000746331_100012276601 [0,0,0,0,0,0|3,0,1]=4 423 B11R0.148 CC(O)CCOCCCCCCl 34a_100000746330_100012276601 [0,0,0,0,0,0|3,0,1]=4 424 B11R0.148 CC(O)CCOCCCCCCl 7a_100000746330_100012276601 [0,0,0,0,0,0|3,0,1]=4 425 B11R0.148 CC(O)CCOCCCCCI 34a_200012148887_100012276601 [0,0,0,0,0,0|3,0,1]=4 426 B11R0.148 CC(O)CCOCCCCCI 7a_200012148887_100012276601 [0,0,0,0,0,0|3,0,1]=4 427 B11R0.148 CC(O)CCOCCCCCN 34a_100000762737_100012276601 [0,0,0,0,0,0|3,0,1]=4 428 B11R0.148 CC(O)CCSCCCCCF 62a_100000729378_100012276601 [0,0,0,0,0,0|3,0,1]=4 429 B11R0.148 CC(O)CCSCCCCCF 62a_100012276601_100000729378 [0,0,0,0,0,0|3,0,1]=4 430 B11R0.148 CC(O)CCSCCCCCO 62a_100000746330_100012276601 [0,0,0,0,0,0|3,0,1]=4 431 B11R0.148 CC(O)CCSCCCCCO 62a_100012276601_100000746330 [0,0,0,0,0,0|3,0,1]=4 432 B11R0.148 CC(O)CNCCCCCCF 2230a_100000210904_100015922095 [0,0,0,0,0,0|3,0,1]=4 433 B11R0.148 CC(O)CNCCCCCCF 34a_100000210904_100015922095 [0,0,0,0,0,0|3,0,1]=4 434 B11R0.148 CC(O)CNCCCCCCO 2230a_100000210904_100000766143 [0,0,0,0,0,0|3,0,1]=4 435 B11R0.148 CC(O)CNCCCCCCO 2230a_100000686447_100011218427 [0,0,0,0,0,0|3,0,1]=4 436 B11R0.148 CC(O)CNCCCCCCO 34a_100000210904_100000766143 [0,0,0,0,0,0|3,0,1]=4 437 B11R0.148 CC(O)CNCCCCCCO 34a_100000686447_100011218427 [0,0,0,0,0,0|3,0,1]=4 438 B11R0.148 CC(O)COCCCCCCBr 34a_100011215345_100011218427 [0,0,0,0,0,0|3,0,1]=4 439 B11R0.148 CC(O)COCCCCCCBr 7a_100011215345_100011218427 [0,0,0,0,0,0|3,0,1]=4 440 B11R0.148 CC(O)COCCCCCCCl 34a_100000766143_100011218427 [0,0,0,0,0,0|3,0,1]=4 441 B11R0.148 CC(O)COCCCCCCCl 7a_100000766143_100011218427 [0,0,0,0,0,0|3,0,1]=4 442 B11R0.148 CC(O)COCCCCCCF 34a_100000732779_100011218427 [0,0,0,0,0,0|3,0,1]=4 443 B11R0.148 CC(O)COCCCCCCF 7a_100000732779_100011218427 [0,0,0,0,0,0|3,0,1]=4 444 B11R0.148 CC(O)COCCCCCCN 34a_100000686447_100011218427 [0,0,0,0,0,0|3,0,1]=4 445 B11R0.148 CC(O)CSCCCCCCF 62a_100011218427_100015922095 [0,0,0,0,0,0|3,0,1]=4 446 B11R0.148 CC(O)CSCCCCCCF 62a_100015922095_100011218427 [0,0,0,0,0,0|3,0,1]=4 447 B11R0.148 CC(O)CSCCCCCCO 62a_100000766143_100011218427 [0,0,0,0,0,0|3,0,1]=4 448 B11R0.148 CC(O)CSCCCCCCO 62a_100011218427_100000766143 [0,0,0,0,0,0|3,0,1]=4 449 B11R0.148 CC/C=C/CCCOCC(=O)N 34a_100016287902_100000187820 [0,0,0,0,0,0|2,0,2]=4 450 B11R0.148 CC/C=C/CCCOCC(=O)N 7a_100016287902_100000187820 [0,0,0,0,0,0|2,0,2]=4 451 B11R0.148 CC/C=C/CCCOCC(=O)[O-] 34a_100016287902_100020667443 [0,0,0,0,0,0|1,0,3]=4 452 B11R0.148 CC/C=C\CCNOCC(=O)O 269956a_100000106656_100015370543 [0,0,0,0,0,0|2,0,2]=4 453 B11R0.148 CC/C=C\CCOCCC(=O)C 34a_100000759926_100015370543 [0,0,0,0,0,0|2,0,2]=4 454 B11R0.148 CC/C=C\CCOCCC(=O)C 7a_100000759926_100015370543 [0,0,0,0,0,0|2,0,2]=4 455 B11R0.148 CC/C=C\CCOCCC(=O)C 7a_100016288707_100000053229 [0,0,0,0,0,0|2,0,2]=4 456 B11R0.148 CC/C=C\CCOCCC(=O)N 34a_100000757172_100015370543 [0,0,0,0,0,0|2,0,2]=4 457 B11R0.148 CC/C=C\CCOCCC(=O)N 34a_100016288707_100000731001 [0,0,0,0,0,0|2,0,2]=4 458 B11R0.148 CC/C=C\CCOCCC(=O)N 7a_100000757172_100015370543 [0,0,0,0,0,0|2,0,2]=4 459 B11R0.148 CC/C=C\CCOCCC(=O)N 7a_100016288707_100000744528 [0,0,0,0,0,0|2,0,2]=4 460 B11R0.148 CC/C=C\CCSCCC(=O)C 62a_100000053229_100015370543 [0,0,0,0,0,0|2,0,2]=4 461 B11R0.148 CC/C=C\CCSCCC(=O)C 62a_100015370543_100000053229 [0,0,0,0,0,0|2,0,2]=4 462 B11R0.148 CC/C=C\CCSCCC(=O)N 62a_100000744528_100015370543 [0,0,0,0,0,0|2,0,2]=4 463 B11R0.148 CC/C=C\CCSCCC(=O)N 62a_100015370543_100000744528 [0,0,0,0,0,0|2,0,2]=4 464 B11R0.148 CC/C=C\CNCCCC(=O)N 34a_100000739312_100103147603 [0,0,0,0,0,0|2,0,2]=4 465 B11R0.148 CC/C=C\COCCCC(=O)C 34a_100000759063_100103147603 [0,0,0,0,0,0|2,0,2]=4 466 B11R0.148 CC/C=C\COCCCC(=O)C 34a_100016268518_100000685027 [0,0,0,0,0,0|2,0,2]=4 467 B11R0.148 CC/C=C\COCCCC(=O)C 7a_100000759063_100103147603 [0,0,0,0,0,0|2,0,2]=4 468 B11R0.148 CC/C=C\COCCCC(=O)N 34a_100016268518_100102525003 [0,0,0,0,0,0|2,0,2]=4 469 B11R0.148 CC/C=C\CSCCCC(=O)C 62a_100011215641_100103147603 [0,0,0,0,0,0|2,0,2]=4 470 B11R0.148 CC/C=C\CSCCCC(=O)C 62a_100103147603_100011215641 [0,0,0,0,0,0|2,0,2]=4 471 B11R0.148 CC/C=C\CSCCCC(=O)N 62a_100102525003_100103147603 [0,0,0,0,0,0|2,0,2]=4 472 B11R0.148 CC/C=C\CSCCCC(=O)N 62a_100103147603_100102525003 [0,0,0,0,0,0|2,0,2]=4 473 B11R0.148 CC=CCCCOCCC(=O)N 34a_100020645299_100000731001 [0,0,0,0,0,0|2,0,2]=4 474 B11R0.148 CC=CCNCCCCC(=O)N 34a_100000696515_100000070051 [0,0,0,0,0,0|2,0,2]=4 475 B11R0.148 CC=CCOCCCCC(=O)N 34a_100012022536_100000070051 [0,0,0,0,0,0|2,0,2]=4 476 B11R0.148 CC=CCOCCCCC(=O)N 7a_100012022536_100000070051 [0,0,0,0,0,0|2,0,2]=4 477 B11R0.148 CC=CCSCCCCC(=O)C 62a_100000070051_100000735457 [0,0,0,0,0,0|2,0,2]=4 478 B11R0.148 CC=CCSCCCCC(=O)C 62a_100000735457_100000070051 [0,0,0,0,0,0|2,0,2]=4 479 B11R0.148 CCC#CCCOCCC(=O)C 7a_100000036655_100000053229 [0,0,0,0,0,0|2,0,2]=4 480 B11R0.148 CCC#CCCOCCC(=O)N 34a_100000036655_100000731001 [0,0,0,0,0,0|2,0,2]=4 481 B11R0.148 CCC#CCCOCCC(=O)N 7a_100000036655_100000744528 [0,0,0,0,0,0|2,0,2]=4 482 B11R0.148 CCC#CCNCCCC(=O)N 34a_100000739312_100009813939 [0,0,0,0,0,0|2,0,2]=4 483 B11R0.148 CCC#CCOCCCC(=O)C 34a_100000032950_100000685027 [0,0,0,0,0,0|2,0,2]=4 484 B11R0.148 CCC#CCOCCCC(=O)C 34a_100000759063_100009813939 [0,0,0,0,0,0|2,0,2]=4 485 B11R0.148 CCC#CCOCCCC(=O)C 7a_100000759063_100009813939 [0,0,0,0,0,0|2,0,2]=4 486 B11R0.148 CCC#CCOCCCC(=O)N 34a_100000032950_100102525003 [0,0,0,0,0,0|2,0,2]=4 487 B11R0.148 CCC#CCSCCCC(=O)C 62a_100009813939_100011215641 [0,0,0,0,0,0|2,0,2]=4 488 B11R0.148 CCC#CCSCCCC(=O)C 62a_100011215641_100009813939 [0,0,0,0,0,0|2,0,2]=4 489 B11R0.148 CCC#CCSCCCC(=O)N 62a_100009813939_100102525003 [0,0,0,0,0,0|2,0,2]=4 490 B11R0.148 CCC#CCSCCCC(=O)N 62a_100102525003_100009813939 [0,0,0,0,0,0|2,0,2]=4 491 B11R0.148 CCC/C=C/COCCC(=O)C 7a_100016278788_100000053229 [0,0,0,0,0,0|2,0,2]=4 492 B11R0.148 CCC/C=C/COCCC(=O)N 34a_100016278788_100000731001 [0,0,0,0,0,0|2,0,2]=4 493 B11R0.148 CCC/C=C/COCCC(=O)N 7a_100016278788_100000744528 [0,0,0,0,0,0|2,0,2]=4 494 B11R0.148 CCCC#CCCOCC(=O)N 34a_100000042726_100000187820 [0,0,0,0,0,0|2,0,2]=4 495 B11R0.148 CCCC#CCCOCC(=O)N 7a_100000042726_100000187820 [0,0,0,0,0,0|2,0,2]=4 496 B11R0.148 CCCC#CCCOCC(=O)[O-] 34a_100000042726_100020667443 [0,0,0,0,0,0|1,0,3]=4 497 B11R0.148 CCCC#CCOCCC(=O)C 7a_100000034806_100000053229 [0,0,0,0,0,0|2,0,2]=4 498 B11R0.148 CCCC#CCOCCC(=O)N 34a_100000034806_100000731001 [0,0,0,0,0,0|2,0,2]=4 499 B11R0.148 CCCC#CCOCCC(=O)N 7a_100000034806_100000744528 [0,0,0,0,0,0|2,0,2]=4 500 B11R0.148 CCCC/C=C/COCC(=O)N 34a_200016272032_100000187820 [0,0,0,0,0,0|2,0,2]=4 501 B11R0.148 CCCC/C=C/COCC(=O)N 7a_200016272032_100000187820 [0,0,0,0,0,0|2,0,2]=4 502 B11R0.148 CCCC/C=C/COCC(=O)[O-] 34a_200016272032_100020667443 [0,0,0,0,0,0|1,0,3]=4 503 B11R0.148 CCCCC#CCCCC(=O)C 1458a_100000070787_200000047210 [0,0,0,0,0,0|1,0,2]=3 504 B11R0.148 CCCCC#CCOCC(=O)N 34a_200000034558_100000187820 [0,0,0,0,0,0|2,0,2]=4 505 B11R0.148 CCCCC#CCOCC(=O)N 7a_200000034558_100000187820 [0,0,0,0,0,0|2,0,2]=4 506 B11R0.148 CCCCC#CCOCC(=O)[O-] 34a_200000034558_100020667443 [0,0,0,0,0,0|1,0,3]=4 507 B11R0.148 CCCCC/C=C/CCC(=O)C 1458a_200015255902_200000210301 [0,0,0,0,0,0|1,0,2]=3 508 B11R0.148 CCCCC/C=C/CCC(=O)[13CH3] 1458a_200015255902_200025704644 [0,0,0,0,0,0|1,0,2]=3 509 B11R0.148 CCCCCC/C=C/CC(=O)C 1458a_100020681715_200000210301 [0,0,0,0,0,0|1,0,2]=3 510 B11R0.148 CCCCCC/C=C/CC(=O)[13CH3] 1458a_100020681715_200025704644 [0,0,0,0,0,0|1,0,2]=3 511 B11R0.148 CCCCCCC=NNC(=O)C 4a_100000189765_100000234349 [0,0,0,0,0,0|3,0,1]=4 512 B11R0.148 CCCCCCCC=CC(=O)C 1458a_200015332781_200000210301 [0,0,0,0,0,0|1,0,2]=3 513 B11R0.148 CCCCCCCC=CC(=O)[13CH3] 1458a_200015332781_200025704644 [0,0,0,0,0,0|1,0,2]=3 514 B11R0.148 CCCCCCCCCC(=O)C 1458a_100000070787_100000210670 [0,0,0,0,0,0|1,0,0]=1 515 B11R0.148 CCCCCCCCCC(=O)C 1458a_100000210558_200000210301 [0,0,0,0,0,0|1,0,0]=1 516 B11R0.148 CCCCCCCCCC(=O)[13CH3] 1458a_100000210558_200025704644 [0,0,0,0,0,0|1,0,0]=1 517 B11R0.148 CCCCCCCCCN(C)C 2230a_100000232482_200000210301 [0,0,0,0,0,0|3,0,0]=3 518 B11R0.148 CCCCCCCCCN(C)C 2230a_100102631434_100011214924 [0,0,0,0,0,0|3,0,0]=3 519 B11R0.148 CCCCCCCCCN(C)C 269982a_100000232482_200000210301 [0,0,0,0,0,0|3,0,0]=3 520 B11R0.148 CCCCCCCCCN(C)C 269982a_100102631434_100000210670 [0,0,0,0,0,0|3,0,0]=3 521 B11R0.148 CCCCCCCCCN(C)[13CH3] 2230a_100000232482_200025704644 [0,0,0,0,0,0|3,0,0]=3 522 B11R0.148 CCCCCCCCCN(C)[13CH3] 269982a_100000232482_200025704644 [0,0,0,0,0,0|3,0,0]=3 523 B11R0.148 CCCCCCCCNC(=O)C 11a_100000229939_100015343762 [0,0,0,0,0,0|2,0,0]=2 524 B11R0.148 CCCCCCCCNC(=O)C 1626a_100000229939_100015343762 [0,0,0,0,0,0|2,0,0]=2 525 B11R0.148 CCCCCCCCNC(=O)C 240690a_100000229939_100015343762 [0,0,0,0,0,0|2,0,0]=2 526 B11R0.148 CCCCCCCCNC(=O)C 527a_100000229939_100103153847 [0,0,0,0,0,0|2,0,0]=2 527 B11R0.148 CCCCCCCCNC(C)C 2230a_100000229939_100000210206 [0,0,0,0,0,0|3,0,1]=4 528 B11R0.148 CCCCCCCCNC(C)C 2230a_100138425928_100000210759 [0,0,0,0,0,0|3,0,1]=4 529 B11R0.148 CCCCCCCCNC(C)C 34a_100000229939_100000210206 [0,0,0,0,0,0|3,0,1]=4 530 B11R0.148 CCCCCCCCNC(C)C 34a_100138425928_100000210759 [0,0,0,0,0,0|3,0,1]=4 531 B11R0.148 CCCCCCCCOC(C)C 34a_100000210232_100000210206 [0,0,0,0,0,0|3,0,1]=4 532 B11R0.148 CCCCCCCCOC(C)C 34a_100000212225_100000210759 [0,0,0,0,0,0|3,0,1]=4 533 B11R0.148 CCCCCCCCOC(C)C 7a_100000210232_100000210206 [0,0,0,0,0,0|3,0,1]=4 534 B11R0.148 CCCCCCCCSC(C)C 62a_100000210206_100000210317 [0,0,0,0,0,0|3,0,1]=4 535 B11R0.148 CCCCCCCCSC(C)C 62a_100000210759_100000210206 [0,0,0,0,0,0|3,0,1]=4 536 B11R0.148 CCCCCCCNCC(=O)N 2230a_100000229938_100000747473 [0,0,0,0,0,0|2,0,0]=2 537 B11R0.148 CCCCCCCNCC(=O)N 2230a_100000711301_100000210681 [0,0,0,0,0,0|2,0,0]=2 538 B11R0.148 CCCCCCCNCC(=O)O 269956a_100016091260_100000210614 [0,0,0,0,0,0|1,0,0]=1 539 B11R0.148 CCCCCCCNCC(C)C 2230a_100000210953_100000210681 [0,0,0,0,0,0|3,0,1]=4 540 B11R0.148 CCCCCCCNCC(C)C 2230a_100000229938_100000210760 [0,0,0,0,0,0|3,0,1]=4 541 B11R0.148 CCCCCCCNCC(C)C 270004a_100000229938_100000210432 [0,0,0,0,0,0|3,0,1]=4 542 B11R0.148 CCCCCCCNCC(C)C 34a_100000210953_100000210614 [0,0,0,0,0,0|3,0,1]=4 543 B11R0.148 CCCCCCCNCC(C)O 2230a_100000210904_100000210681 [0,0,0,0,0,0|2,0,1]=3 544 B11R0.148 CCCCCCCNCC(C)O 2230a_100000229938_100011218427 [0,0,0,0,0,0|2,0,1]=3 545 B11R0.148 CCCCCCCNCC(C)O 34a_100000210904_100000210614 [0,0,0,0,0,0|2,0,1]=3 546 B11R0.148 CCCCCCCNCC(F)F 2230a_100000229938_100011934356 [0,0,0,0,0,0|3,0,1]=4 547 B11R0.148 CCCCCCCNCC(F)F 34a_100000765723_100000210614 [0,0,0,0,0,0|3,0,1]=4 548 B11R0.148 CCCCCCCNC[C@@H](C)O 2230a_100000229938_100009817552 [0,0,0,0,0,0|2,0,1]=3 549 B11R0.148 CCCCCCCOCC(=O)C 34a_100000211253_100000210614 [0,0,0,0,0,0|2,0,0]=2 550 B11R0.148 CCCCCCCOCC(=O)N 34a_100000210272_100000187820 [0,0,0,0,0,0|2,0,0]=2 551 B11R0.148 CCCCCCCOCC(=O)N 7a_100000210272_100000187820 [0,0,0,0,0,0|2,0,0]=2 552 B11R0.148 CCCCCCCOCC(=O)[O-] 34a_100000210272_100020667443 [0,0,0,0,0,0|1,0,1]=2 553 B11R0.148 CCCCCCCOCC(C)Br 34a_100012180447_100000210614 [0,0,0,0,0,0|3,0,1]=4 554 B11R0.148 CCCCCCCOCC(C)C 34a_100000210257_100000210614 [0,0,0,0,0,0|3,0,1]=4 555 B11R0.148 CCCCCCCOCC(C)C 34a_100000210272_100000210624 [0,0,0,0,0,0|3,0,1]=4 556 B11R0.148 CCCCCCCOCC(C)C 7a_100000210272_100000210760 [0,0,0,0,0,0|3,0,1]=4 557 B11R0.148 CCCCCCCOCC(C)F 34a_100015925927_100000210614 [0,0,0,0,0,0|3,0,1]=4 558 B11R0.148 CCCCCCCOCC(C)O 34a_100000210272_100011218427 [0,0,0,0,0,0|2,0,1]=3 559 B11R0.148 CCCCCCCOCC(C)O 7a_100000210272_100011218427 [0,0,0,0,0,0|2,0,1]=3 560 B11R0.148 CCCCCCCOCC(F)F 34a_100000210272_100011934356 [0,0,0,0,0,0|3,0,1]=4 561 B11R0.148 CCCCCCCOCC(F)F 34a_100000743014_100000210614 [0,0,0,0,0,0|3,0,1]=4 562 B11R0.148 CCCCCCCOCC(F)F 7a_100000210272_100011934356 [0,0,0,0,0,0|3,0,1]=4 563 B11R0.148 CCCCCCCOC[C@@H](C)Cl 34a_100016084084_100000210614 [0,0,0,0,0,0|3,0,1]=4 564 B11R0.148 CCCCCCCOC[C@@H](C)N 34a_100000737577_100000210614 [0,0,0,0,0,0|3,0,1]=4 565 B11R0.148 CCCCCCCOC[C@@H](C)O 34a_100000210272_100009817552 [0,0,0,0,0,0|2,0,1]=3 566 B11R0.148 CCCCCCCOC[C@@H](C)O 7a_100000210272_100009817552 [0,0,0,0,0,0|2,0,1]=3 567 B11R0.148 CCCCCCCOC[N+](=O)[O-] 34a_100000210272_100000761209 [0,0,0,0,0,0|2,0,1]=3 568 B11R0.148 CCCCCCCSCC(=O)N 62a_100000210614_100000747473 [0,0,0,0,0,0|2,0,0]=2 569 B11R0.148 CCCCCCCSCC(=O)N 62a_100000747473_100000210316 [0,0,0,0,0,0|2,0,0]=2 570 B11R0.148 CCCCCCCSCC(=O)[O-] 62a_100000210614_100020667443 [0,0,0,0,0,0|1,0,1]=2 571 B11R0.148 CCCCCCCSCC(=O)[O-] 62a_100020667443_100000210316 [0,0,0,0,0,0|1,0,1]=2 572 B11R0.148 CCCCCCCSCC(C)C 62a_100000210614_100000210760 [0,0,0,0,0,0|3,0,1]=4 573 B11R0.148 CCCCCCCSCC(C)C 62a_100000210624_100000210316 [0,0,0,0,0,0|3,0,1]=4 574 B11R0.148 CCCCCCCSCC(C)O 62a_100000210614_100011218427 [0,0,0,0,0,0|2,0,1]=3 575 B11R0.148 CCCCCCCSCC(C)O 62a_100011218427_100000210316 [0,0,0,0,0,0|2,0,1]=3 576 B11R0.148 CCCCCCCSCC(F)F 62a_100000210614_100011934356 [0,0,0,0,0,0|3,0,1]=4 577 B11R0.148 CCCCCCCSCC(F)F 62a_100011934356_100000210316 [0,0,0,0,0,0|3,0,1]=4 578 B11R0.148 CCCCCCCSC[C@@H](C)O 62a_100000210614_100009817552 [0,0,0,0,0,0|2,0,1]=3 579 B11R0.148 CCCCCCCSC[C@@H](C)O 62a_100009817552_100000210316 [0,0,0,0,0,0|2,0,1]=3 580 B11R0.148 CCCCCCCSC[N+](=O)[O-] 62a_100000210614_100000761209 [0,0,0,0,0,0|2,0,1]=3 581 B11R0.148 CCCCCCNCC=C(C)C 2230a_100000210581_100000761012 [0,0,0,0,0,0|3,0,1]=4 582 B11R0.148 CCCCCCNCC=C(C)C 34a_100000718196_100000210314 [0,0,0,0,0,0|3,0,1]=4 583 B11R0.148 CCCCCCNCCC(=O)N 2230a_100000210581_100000744528 [0,0,0,0,0,0|2,0,0]=2 584 B11R0.148 CCCCCCNCCC(C)C 2230a_100000210581_100000210312 [0,0,0,0,0,0|3,0,1]=4 585 B11R0.148 CCCCCCNCCC(C)C 269862a_100000210581_100000185833 [0,0,0,0,0,0|3,0,1]=4 586 B11R0.148 CCCCCCNCCC(C)O 2230a_100000210581_100012276601 [0,0,0,0,0,0|2,0,1]=3 587 B11R0.148 CCCCCCNCCC(C)O 2230a_200000755665_100000210314 [0,0,0,0,0,0|2,0,1]=3 588 B11R0.148 CCCCCCNOCC(=O)O 269956a_100000106656_100000210757 [0,0,0,0,0,0|2,0,0]=2 589 B11R0.148 CCCCCCOCC=C(C)C 34a_100000210259_100000761012 [0,0,0,0,0,0|3,0,1]=4 590 B11R0.148 CCCCCCOCC=C(C)C 34a_100000753907_100000210314 [0,0,0,0,0,0|3,0,1]=4 591 B11R0.148 CCCCCCOCC=C(C)C 7a_100000210259_100000761012 [0,0,0,0,0,0|3,0,1]=4 592 B11R0.148 CCCCCCOCCC(=O)C 34a_100000759926_100000210314 [0,0,0,0,0,0|2,0,0]=2 593 B11R0.148 CCCCCCOCCC(=O)C 7a_100000210259_100000053229 [0,0,0,0,0,0|2,0,0]=2 594 B11R0.148 CCCCCCOCCC(=O)C 7a_100000759926_100000210314 [0,0,0,0,0,0|2,0,0]=2 595 B11R0.148 CCCCCCOCCC(=O)N 34a_100000210259_100000731001 [0,0,0,0,0,0|2,0,0]=2 596 B11R0.148 CCCCCCOCCC(=O)N 34a_100000757172_100000210314 [0,0,0,0,0,0|2,0,0]=2 597 B11R0.148 CCCCCCOCCC(=O)N 7a_100000210259_100000744528 [0,0,0,0,0,0|2,0,0]=2 598 B11R0.148 CCCCCCOCCC(=O)N 7a_100000757172_100000210314 [0,0,0,0,0,0|2,0,0]=2 599 B11R0.148 CCCCCCOCCC(C)Br 34a_100009893172_100000210314 [0,0,0,0,0,0|3,0,1]=4 600 B11R0.148 CCCCCCOCCC(C)C 34a_100000210254_100000210314 [0,0,0,0,0,0|3,0,1]=4 601 B11R0.148 CCCCCCOCCC(C)C 34a_100000210259_100000210312 [0,0,0,0,0,0|3,0,1]=4 602 B11R0.148 CCCCCCOCCC(C)C 7a_100000210254_100000210314 [0,0,0,0,0,0|3,0,1]=4 603 B11R0.148 CCCCCCOCCC(C)C 7a_100000210259_100000210626 [0,0,0,0,0,0|3,0,1]=4 604 B11R0.148 CCCCCCOCCC(C)O 34a_100000210259_100012276601 [0,0,0,0,0,0|2,0,1]=3 605 B11R0.148 CCCCCCOCCC(C)O 7a_100000210259_100012276601 [0,0,0,0,0,0|2,0,1]=3 606 B11R0.148 CCCCCCOCCC(F)F 34a_100103093639_100000210314 [0,0,0,0,0,0|3,0,1]=4 607 B11R0.148 CCCCCCOCCN(C)C 7a_100000210259_100000755713 [0,0,0,0,0,0|4,0,0]=4 608 B11R0.148 CCCCCCOCC[C@@H](C)N 34a_100000706166_100000210314 [0,0,0,0,0,0|3,0,1]=4 609 B11R0.148 CCCCCCOCOC(=O)C 34a_100000210259_100009813279 [0,0,0,0,0,0|3,0,0]=3 610 B11R0.148 CCCCCCSCC=C(C)C 62a_100000210314_100000761012 [0,0,0,0,0,0|3,0,1]=4 611 B11R0.148 CCCCCCSCC=C(C)C 62a_100000761012_100000210757 [0,0,0,0,0,0|3,0,1]=4 612 B11R0.148 CCCCCCSCCC(=O)C 62a_100000053229_100000210757 [0,0,0,0,0,0|2,0,0]=2 613 B11R0.148 CCCCCCSCCC(=O)C 62a_100000210314_100000053229 [0,0,0,0,0,0|2,0,0]=2 614 B11R0.148 CCCCCCSCCC(=O)N 62a_100000210314_100000744528 [0,0,0,0,0,0|2,0,0]=2 615 B11R0.148 CCCCCCSCCC(=O)N 62a_100000744528_100000210757 [0,0,0,0,0,0|2,0,0]=2 616 B11R0.148 CCCCCCSCCC(C)C 62a_100000210312_100000210757 [0,0,0,0,0,0|3,0,1]=4 617 B11R0.148 CCCCCCSCCC(C)C 62a_100000210314_100000210312 [0,0,0,0,0,0|3,0,1]=4 618 B11R0.148 CCCCCCSCCC(C)O 62a_100000210314_100012276601 [0,0,0,0,0,0|2,0,1]=3 619 B11R0.148 CCCCCCSCCC(C)O 62a_100012276601_100000210757 [0,0,0,0,0,0|2,0,1]=3 620 B11R0.148 CCCCCCSCCN(C)C 62a_100000210314_100000755713 [0,0,0,0,0,0|4,0,0]=4 621 B11R0.148 CCCCCCSCOC(=O)C 62a_100000076356_100000210757 [0,0,0,0,0,0|3,0,0]=3 622 B11R0.148 CCCCCCSCOC(=O)C 62a_100000210314_100000076356 [0,0,0,0,0,0|3,0,0]=3 623 B11R0.148 CCCCCNCCC=C(C)C 2230a_100000209983_100011217483 [0,0,0,0,0,0|3,0,1]=4 624 B11R0.148 CCCCCNCCC=C(F)F 2230a_100000209983_200009816681 [0,0,0,0,0,0|3,0,1]=4 625 B11R0.148 CCCCCNCCCC(=O)N 34a_100000739312_100000718602 [0,0,0,0,0,0|2,0,0]=2 626 B11R0.148 CCCCCNCCCC(C)C 2230a_100000209983_100011214892 [0,0,0,0,0,0|3,0,1]=4 627 B11R0.148 CCCCCNCCCC(C)C 2230a_200000737386_100000210326 [0,0,0,0,0,0|3,0,1]=4 628 B11R0.148 CCCCCNCCCC(C)C 34a_200000737386_100000718602 [0,0,0,0,0,0|3,0,1]=4 629 B11R0.148 CCCCCNCCCC(C)O 2230a_100000209983_200000718107 [0,0,0,0,0,0|2,0,1]=3 630 B11R0.148 CCCCCNCCCS(=O)C 2230a_200000753449_100000210326 [0,0,0,0,0,0|3,0,0]=3 631 B11R0.148 CCCCCNCCNC(=O)C 2230a_100000209853_100000210326 [0,0,0,0,0,0|3,0,0]=3 632 B11R0.148 CCCCCNCCNC(=O)C 2230a_100000209983_100000189650 [0,0,0,0,0,0|3,0,0]=3 633 B11R0.148 CCCCCNCCNC(=O)N 2230a_100000209983_200000034859 [0,0,0,0,0,0|3,0,0]=3 634 B11R0.148 CCCCCNCCNC(=O)N 34a_100020590234_100000718602 [0,0,0,0,0,0|3,0,0]=3 635 B11R0.148 CCCCCOCCC=C(C)C 34a_100000210253_100011217483 [0,0,0,0,0,0|3,0,1]=4 636 B11R0.148 CCCCCOCCC=C(C)C 7a_100000210253_100011217483 [0,0,0,0,0,0|3,0,1]=4 637 B11R0.148 CCCCCOCCC=C(F)F 34a_100000210253_200009816681 [0,0,0,0,0,0|3,0,1]=4 638 B11R0.148 CCCCCOCCC=C(F)F 7a_100000210253_200009816681 [0,0,0,0,0,0|3,0,1]=4 639 B11R0.148 CCCCCOCCCC(=O)C 34a_100000210253_100000685027 [0,0,0,0,0,0|2,0,0]=2 640 B11R0.148 CCCCCOCCCC(=O)C 34a_100000759063_100000718602 [0,0,0,0,0,0|2,0,0]=2 641 B11R0.148 CCCCCOCCCC(=O)C 7a_100000210253_100011215641 [0,0,0,0,0,0|2,0,0]=2 642 B11R0.148 CCCCCOCCCC(=O)C 7a_100000759063_100000210326 [0,0,0,0,0,0|2,0,0]=2 643 B11R0.148 CCCCCOCCCC(=O)N 34a_100000210253_100102525003 [0,0,0,0,0,0|2,0,0]=2 644 B11R0.148 CCCCCOCCCC(=O)N 7a_100000210253_100102525003 [0,0,0,0,0,0|2,0,0]=2 645 B11R0.148 CCCCCOCCCC(C)C 34a_100000210253_100011214892 [0,0,0,0,0,0|3,0,1]=4 646 B11R0.148 CCCCCOCCCC(C)C 34a_100000210774_100000718602 [0,0,0,0,0,0|3,0,1]=4 647 B11R0.148 CCCCCOCCCC(C)C 7a_100000210253_100011214892 [0,0,0,0,0,0|3,0,1]=4 648 B11R0.148 CCCCCOCCCC(C)C 7a_100000210774_100000210326 [0,0,0,0,0,0|3,0,1]=4 649 B11R0.148 CCCCCOCCCC(C)O 34a_100000210253_200000718107 [0,0,0,0,0,0|2,0,1]=3 650 B11R0.148 CCCCCOCCCC(C)O 7a_100000210253_200000718107 [0,0,0,0,0,0|2,0,1]=3 651 B11R0.148 CCCCCOCCCN(C)C 7a_100000210253_100000757444 [0,0,0,0,0,0|4,0,0]=4 652 B11R0.148 CCCCCOCCC[N+](=O)[O-] 34a_200000037920_100000718602 [0,0,0,0,0,0|2,0,1]=3 653 B11R0.148 CCCCCOCCNC(=O)C 34a_100000158858_100000718602 [0,0,0,0,0,0|3,0,0]=3 654 B11R0.148 CCCCCOCCNC(=O)C 7a_100000210253_100000189650 [0,0,0,0,0,0|3,0,0]=3 655 B11R0.148 CCCCCOCCNC(=O)N 34a_100000181757_100000718602 [0,0,0,0,0,0|3,0,0]=3 656 B11R0.148 CCCCCOCCNC(=O)N 7a_100000210253_200000034859 [0,0,0,0,0,0|3,0,0]=3 657 B11R0.148 CCCCCOCCOC(=O)C 34a_100000210253_100009814007 [0,0,0,0,0,0|3,0,0]=3 658 B11R0.148 CCCCCOCCOC(=O)C 7a_100000210253_100009814007 [0,0,0,0,0,0|3,0,0]=3 659 B11R0.148 CCCCCOCCOC(=O)N 34a_100000210253_200011214921 [0,0,0,0,0,0|3,0,0]=3 660 B11R0.148 CCCCCOCCOC(=O)N 7a_100000210253_200011214921 [0,0,0,0,0,0|3,0,0]=3 661 B11R0.148 CCCCCOCCOC(=O)N 7a_100000766696_100000210326 [0,0,0,0,0,0|3,0,0]=3 662 B11R0.148 CCCCCSCCC=C(C)C 62a_100000210326_100011217483 [0,0,0,0,0,0|3,0,1]=4 663 B11R0.148 CCCCCSCCC=C(C)C 62a_100011217483_100000210326 [0,0,0,0,0,0|3,0,1]=4 664 B11R0.148 CCCCCSCCC=C(F)F 62a_100000210326_200009816681 [0,0,0,0,0,0|3,0,1]=4 665 B11R0.148 CCCCCSCCC=C(F)F 62a_200009816681_100000210326 [0,0,0,0,0,0|3,0,1]=4 666 B11R0.148 CCCCCSCCCC(=O)C 62a_100000210326_100011215641 [0,0,0,0,0,0|2,0,0]=2 667 B11R0.148 CCCCCSCCCC(=O)C 62a_100011215641_100000210326 [0,0,0,0,0,0|2,0,0]=2 668 B11R0.148 CCCCCSCCCC(=O)N 62a_100000210326_100102525003 [0,0,0,0,0,0|2,0,0]=2 669 B11R0.148 CCCCCSCCCC(=O)N 62a_100102525003_100000210326 [0,0,0,0,0,0|2,0,0]=2 670 B11R0.148 CCCCCSCCCC(C)C 62a_100000210326_100011214892 [0,0,0,0,0,0|3,0,1]=4 671 B11R0.148 CCCCCSCCCC(C)C 62a_100011214892_100000210326 [0,0,0,0,0,0|3,0,1]=4 672 B11R0.148 CCCCCSCCCC(C)O 62a_100000210326_200000718107 [0,0,0,0,0,0|2,0,1]=3 673 B11R0.148 CCCCCSCCCC(C)O 62a_200000718107_100000210326 [0,0,0,0,0,0|2,0,1]=3 674 B11R0.148 CCCCCSCCCN(C)C 62a_100000210326_100000757444 [0,0,0,0,0,0|4,0,0]=4 675 B11R0.148 CCCCCSCCNC(=O)C 62a_100000189650_100000210326 [0,0,0,0,0,0|3,0,0]=3 676 B11R0.148 CCCCCSCCNC(=O)C 62a_100000210326_100000189650 [0,0,0,0,0,0|3,0,0]=3 677 B11R0.148 CCCCCSCCNC(=O)N 62a_100000210326_200000034859 [0,0,0,0,0,0|3,0,0]=3 678 B11R0.148 CCCCCSCCNC(=O)N 62a_200000034859_100000210326 [0,0,0,0,0,0|3,0,0]=3 679 B11R0.148 CCCCCSCCOC(=O)C 62a_100000210326_100009814007 [0,0,0,0,0,0|3,0,0]=3 680 B11R0.148 CCCCCSCCOC(=O)C 62a_100009814007_100000210326 [0,0,0,0,0,0|3,0,0]=3 681 B11R0.148 CCCCCSCCOC(=O)N 62a_100000210326_200011214921 [0,0,0,0,0,0|3,0,0]=3 682 B11R0.148 CCCCCSCCOC(=O)N 62a_200011214921_100000210326 [0,0,0,0,0,0|3,0,0]=3 683 B11R0.148 CCCCNCCCCB(O)O 2230a_100000102301_200009817182 [0,0,0,0,0,0|2,0,1]=3 684 B11R0.148 CCCCNCCCCB(O)O 7a_106832991798_200009817182 [0,0,0,0,0,0|2,0,1]=3 685 B11R0.148 CCCCNCCCCC(=O)C 7a_106832991798_100000735457 [0,0,0,0,0,0|2,0,0]=2 686 B11R0.148 CCCCNCCCCC(=O)N 34a_100000696515_100000210210 [0,0,0,0,0,0|2,0,0]=2 687 B11R0.148 CCCCNCCCCC(C)C 2230a_100000102301_100011216152 [0,0,0,0,0,0|3,0,1]=4 688 B11R0.148 CCCCNCCCCC(C)C 7a_106832991798_100011216152 [0,0,0,0,0,0|3,0,1]=4 689 B11R0.148 CCCCNCCCNC(=O)C 34a_100000736810_100000210210 [0,0,0,0,0,0|3,0,0]=3 690 B11R0.148 CCCCNCCCOC(=O)C 7a_106832991798_100000042594 [0,0,0,0,0,0|3,0,0]=3 691 B11R0.148 CCCCNCCCOC(=S)C 2230a_100000102301_200135323944 [0,0,0,0,0,0|3,1,0]=4 692 B11R0.148 CCCCNCCCOC(=S)C 7a_106832991798_200135323944 [0,0,0,0,0,0|3,1,0]=4 693 B11R0.148 CCCCNCCCSC(=O)C 2230a_100000102301_100000038929 [0,0,0,0,0,0|3,0,0]=3 694 B11R0.148 CCCCNCCCSC(=O)C 7a_106832991798_100000038929 [0,0,0,0,0,0|3,0,0]=3 695 B11R0.148 CCCCNCCOCC(=O)N 2230a_100000102301_100000076697 [0,0,0,0,0,0|3,0,0]=3 696 B11R0.148 CCCCNCCOCC(=O)N 7a_106832991798_100000076697 [0,0,0,0,0,0|3,0,0]=3 697 B11R0.148 CCCCNCCOCC(=O)O 269956a_100000700818_100000210211 [0,0,0,0,0,0|2,0,0]=2 698 B11R0.148 CCCCOCCCCB(O)O 34a_100000210227_200009817182 [0,0,0,0,0,0|2,0,1]=3 699 B11R0.148 CCCCOCCCCB(O)O 7a_100000210227_200009817182 [0,0,0,0,0,0|2,0,1]=3 700 B11R0.148 CCCCOCCCCC(=O)C 34a_100000210227_100009817362 [0,0,0,0,0,0|2,0,0]=2 701 B11R0.148 CCCCOCCCCC(=O)C 7a_100000210227_100000735457 [0,0,0,0,0,0|2,0,0]=2 702 B11R0.148 CCCCOCCCCC(=O)N 34a_100012022536_100000210210 [0,0,0,0,0,0|2,0,0]=2 703 B11R0.148 CCCCOCCCCC(=O)N 7a_100012022536_100000210211 [0,0,0,0,0,0|2,0,0]=2 704 B11R0.148 CCCCOCCCCC(C)C 34a_100000210227_100011216152 [0,0,0,0,0,0|3,0,1]=4 705 B11R0.148 CCCCOCCCCC(C)C 34a_100011214890_100000210210 [0,0,0,0,0,0|3,0,1]=4 706 B11R0.148 CCCCOCCCCC(C)C 7a_100000210227_100011216152 [0,0,0,0,0,0|3,0,1]=4 707 B11R0.148 CCCCOCCCCC(C)C 7a_100011214890_100000210211 [0,0,0,0,0,0|3,0,1]=4 708 B11R0.148 CCCCOCCCC[N+](=O)[O-] 34a_200015379883_100000210210 [0,0,0,0,0,0|2,0,1]=3 709 B11R0.148 CCCCOCCCC[N+](=O)[O-] 7a_200015379883_100000210211 [0,0,0,0,0,0|2,0,1]=3 710 B11R0.148 CCCCOCCCNC(=O)C 1626a_200000211371_100015343762 [0,0,0,0,0,0|3,0,0]=3 711 B11R0.148 CCCCOCCCNC(=O)C 240690a_200000211371_100015343762 [0,0,0,0,0,0|3,0,0]=3 712 B11R0.148 CCCCOCCCNC(=O)C 34a_100000752032_100000210210 [0,0,0,0,0,0|3,0,0]=3 713 B11R0.148 CCCCOCCCNC(=O)C 527a_200000211371_100103153847 [0,0,0,0,0,0|3,0,0]=3 714 B11R0.148 CCCCOCCCOC(=O)C 34a_100000210227_100000042594 [0,0,0,0,0,0|3,0,0]=3 715 B11R0.148 CCCCOCCCOC(=O)C 7a_100000210227_100000042594 [0,0,0,0,0,0|3,0,0]=3 716 B11R0.148 CCCCOCCCOC(=S)C 34a_100000210227_200135323944 [0,0,0,0,0,0|3,1,0]=4 717 B11R0.148 CCCCOCCCOC(=S)C 7a_100000210227_200135323944 [0,0,0,0,0,0|3,1,0]=4 718 B11R0.148 CCCCOCCCSC(=O)C 34a_100000210227_100000038929 [0,0,0,0,0,0|3,0,0]=3 719 B11R0.148 CCCCOCCCSC(=O)C 7a_100000210227_100000038929 [0,0,0,0,0,0|3,0,0]=3 720 B11R0.148 CCCCOCCNCC(=O)N 2230a_100000711301_100000743108 [0,0,0,0,0,0|3,0,0]=3 721 B11R0.148 CCCCOCCNCC(=O)O 269956a_100016091260_100000743108 [0,0,0,0,0,0|2,0,0]=2 722 B11R0.148 CCCCOCCNCC(C)O 2230a_100000210904_100000743108 [0,0,0,0,0,0|3,0,1]=4 723 B11R0.148 CCCCOCCNCC(C)O 34a_100000210904_100000743108 [0,0,0,0,0,0|3,0,1]=4 724 B11R0.148 CCCCOCCOCC(=O)C 1458a_100011216887_200000210301 [0,0,0,0,0,0|3,0,0]=3 725 B11R0.148 CCCCOCCOCC(=O)C 34a_100000211253_100000743108 [0,0,0,0,0,0|3,0,0]=3 726 B11R0.148 CCCCOCCOCC(=O)N 34a_100000210227_100000076697 [0,0,0,0,0,0|3,0,0]=3 727 B11R0.148 CCCCOCCOCC(=O)N 34a_100000210238_100000187820 [0,0,0,0,0,0|3,0,0]=3 728 B11R0.148 CCCCOCCOCC(=O)N 7a_100000210227_100000076697 [0,0,0,0,0,0|3,0,0]=3 729 B11R0.148 CCCCOCCOCC(=O)N 7a_100000210238_100000187820 [0,0,0,0,0,0|3,0,0]=3 730 B11R0.148 CCCCOCCOCC(=O)[13CH3] 1458a_100011216887_200025704644 [0,0,0,0,0,0|3,0,0]=3 731 B11R0.148 CCCCOCCOCC(=O)[O-] 34a_100000210238_100020667443 [0,0,0,0,0,0|2,0,1]=3 732 B11R0.148 CCCCOCCOCC(C)O 34a_100000210238_100011218427 [0,0,0,0,0,0|3,0,1]=4 733 B11R0.148 CCCCOCCOCC(C)O 7a_100000210238_100011218427 [0,0,0,0,0,0|3,0,1]=4 734 B11R0.148 CCCCOCCOC[C@@H](C)O 34a_100000210238_100009817552 [0,0,0,0,0,0|3,0,1]=4 735 B11R0.148 CCCCOCCOC[C@@H](C)O 7a_100000210238_100009817552 [0,0,0,0,0,0|3,0,1]=4 736 B11R0.148 CCCCOCCOC[N+](=O)[O-] 34a_100000210238_100000761209 [0,0,0,0,0,0|3,0,1]=4 737 B11R0.148 CCCCOCCSCC(=O)N 62a_100000743108_100000747473 [0,0,0,0,0,0|3,0,0]=3 738 B11R0.148 CCCCOCCSCC(=O)N 62a_100000747473_100000743108 [0,0,0,0,0,0|3,0,0]=3 739 B11R0.148 CCCCOCCSCC(=O)[O-] 62a_100000743108_100020667443 [0,0,0,0,0,0|2,0,1]=3 740 B11R0.148 CCCCOCCSCC(=O)[O-] 62a_100020667443_100000743108 [0,0,0,0,0,0|2,0,1]=3 741 B11R0.148 CCCCOCCSCC(C)O 62a_100000743108_100011218427 [0,0,0,0,0,0|3,0,1]=4 742 B11R0.148 CCCCOCCSCC(C)O 62a_100011218427_100000743108 [0,0,0,0,0,0|3,0,1]=4 743 B11R0.148 CCCCOCCSC[C@@H](C)O 62a_100000743108_100009817552 [0,0,0,0,0,0|3,0,1]=4 744 B11R0.148 CCCCOCCSC[C@@H](C)O 62a_100009817552_100000743108 [0,0,0,0,0,0|3,0,1]=4 745 B11R0.148 CCCCOCCSC[N+](=O)[O-] 62a_100000743108_100000761209 [0,0,0,0,0,0|3,0,1]=4 746 B11R0.148 CCCCOCNCCC(C)O 2230a_200000755665_100011995733 [0,0,0,0,0,0|3,0,1]=4 747 B11R0.148 CCCCOCNOCC(=O)O 269956a_100000106656_100011995733 [0,0,0,0,0,0|3,0,0]=3 748 B11R0.148 CCCCOCOCCC(=O)C 34a_100000759926_100011995733 [0,0,0,0,0,0|3,0,0]=3 749 B11R0.148 CCCCOCOCCC(=O)N 34a_100000757172_100011995733 [0,0,0,0,0,0|3,0,0]=3 750 B11R0.148 CCCCOCSCCC(=O)C 62a_100000053229_100011995733 [0,0,0,0,0,0|3,0,0]=3 751 B11R0.148 CCCCOCSCCC(=O)C 62a_100011995733_100000053229 [0,0,0,0,0,0|3,0,0]=3 752 B11R0.148 CCCCOCSCCC(=O)N 62a_100000744528_100011995733 [0,0,0,0,0,0|3,0,0]=3 753 B11R0.148 CCCCOCSCCC(=O)N 62a_100011995733_100000744528 [0,0,0,0,0,0|3,0,0]=3 754 B11R0.148 CCCCOCSCCC(C)O 62a_100011995733_100012276601 [0,0,0,0,0,0|3,0,1]=4 755 B11R0.148 CCCCOCSCCC(C)O 62a_100012276601_100011995733 [0,0,0,0,0,0|3,0,1]=4 756 B11R0.148 CCCCOCSCOC(=O)C 62a_100000076356_100011995733 [0,0,0,0,0,0|4,0,0]=4 757 B11R0.148 CCCCOCSCOC(=O)C 62a_100011995733_100000076356 [0,0,0,0,0,0|4,0,0]=4 758 B11R0.148 CCCCSCCCCB(O)O 62a_100000210211_200009817182 [0,0,0,0,0,0|2,0,1]=3 759 B11R0.148 CCCCSCCCCB(O)O 62a_200009817182_100000210210 [0,0,0,0,0,0|2,0,1]=3 760 B11R0.148 CCCCSCCCCC(=O)C 62a_100000210211_100000735457 [0,0,0,0,0,0|2,0,0]=2 761 B11R0.148 CCCCSCCCCC(=O)C 62a_100000735457_100000210210 [0,0,0,0,0,0|2,0,0]=2 762 B11R0.148 CCCCSCCCCC(C)C 62a_100000210211_100011216152 [0,0,0,0,0,0|3,0,1]=4 763 B11R0.148 CCCCSCCCCC(C)C 62a_100011216152_100000210210 [0,0,0,0,0,0|3,0,1]=4 764 B11R0.148 CCCCSCCCCN(C)C 62a_100000210211_100000690147 [0,0,0,0,0,0|4,0,0]=4 765 B11R0.148 CCCCSCCCOC(=O)C 62a_100000042594_100000210210 [0,0,0,0,0,0|3,0,0]=3 766 B11R0.148 CCCCSCCCOC(=O)C 62a_100000210211_100000042594 [0,0,0,0,0,0|3,0,0]=3 767 B11R0.148 CCCCSCCCOC(=S)C 62a_100000210211_200135323944 [0,0,0,0,0,0|3,1,0]=4 768 B11R0.148 CCCCSCCCOC(=S)C 62a_200135323944_100000210210 [0,0,0,0,0,0|3,1,0]=4 769 B11R0.148 CCCCSCCCSC(=O)C 62a_100000038929_100000210210 [0,0,0,0,0,0|3,0,0]=3 770 B11R0.148 CCCCSCCCSC(=O)C 62a_100000210211_100000038929 [0,0,0,0,0,0|3,0,0]=3 771 B11R0.148 CCCCSCCNCC(=O)N 2230a_100025743550_100000747473 [0,0,0,0,0,0|3,0,0]=3 772 B11R0.148 CCCCSCCNCC(C)O 2230a_100025743550_100011218427 [0,0,0,0,0,0|3,0,1]=4 773 B11R0.148 CCCCSCCNC[C@@H](C)O 2230a_100025743550_100009817552 [0,0,0,0,0,0|3,0,1]=4 774 B11R0.148 CCCCSCCOCC(=O)N 34a_200000230436_100000187820 [0,0,0,0,0,0|3,0,0]=3 775 B11R0.148 CCCCSCCOCC(=O)N 62a_100000076697_100000210210 [0,0,0,0,0,0|3,0,0]=3 776 B11R0.148 CCCCSCCOCC(=O)N 62a_100000210211_100000076697 [0,0,0,0,0,0|3,0,0]=3 777 B11R0.148 CCCCSCCOCC(=O)N 7a_200000230436_100000187820 [0,0,0,0,0,0|3,0,0]=3 778 B11R0.148 CCCCSCCOCC(=O)[O-] 34a_200000230436_100020667443 [0,0,0,0,0,0|2,0,1]=3 779 B11R0.148 CCCCSCCOCC(C)O 34a_200000230436_100011218427 [0,0,0,0,0,0|3,0,1]=4 780 B11R0.148 CCCCSCCOCC(C)O 7a_200000230436_100011218427 [0,0,0,0,0,0|3,0,1]=4 781 B11R0.148 CCCCSCCOC[C@@H](C)O 34a_200000230436_100009817552 [0,0,0,0,0,0|3,0,1]=4 782 B11R0.148 CCCCSCCOC[C@@H](C)O 7a_200000230436_100009817552 [0,0,0,0,0,0|3,0,1]=4 783 B11R0.148 CCCCSCCOC[N+](=O)[O-] 34a_200000230436_100000761209 [0,0,0,0,0,0|3,0,1]=4 784 B11R0.148 CCCNCCCCCC(C)C 2230a_100011290863_100000210303 [0,0,0,0,0,0|3,0,1]=4 785 B11R0.148 CCCNCCCCCC(C)C 34a_100011290863_100000210303 [0,0,0,0,0,0|3,0,1]=4 786 B11R0.148 CCCNCCCCNC(=O)C 2230a_200011368371_100000210303 [0,0,0,0,0,0|3,0,0]=3 787 B11R0.148 CCCNCCCCNC(=O)C 34a_200011368371_100000210303 [0,0,0,0,0,0|3,0,0]=3 788 B11R0.148 CCCOCCCCCB(O)O 34a_100000210258_200009817188 [0,0,0,0,0,0|2,0,1]=3 789 B11R0.148 CCCOCCCCCC(=O)N 34a_100000123541_100000210303 [0,0,0,0,0,0|2,0,0]=2 790 B11R0.148 CCCOCCCCCC(=O)N 34a_100000210258_100009817443 [0,0,0,0,0,0|2,0,0]=2 791 B11R0.148 CCCOCCCCCC(=O)N 7a_100000123541_100000210303 [0,0,0,0,0,0|2,0,0]=2 792 B11R0.148 CCCOCCCCCC(=O)[O-] 7a_100102619762_100000210303 [0,0,0,0,0,0|1,0,1]=2 793 B11R0.148 CCCOCCCCCC(C)C 34a_100000210258_100000210682 [0,0,0,0,0,0|3,0,1]=4 794 B11R0.148 CCCOCCCCCC(C)C 34a_100011995859_100000210303 [0,0,0,0,0,0|3,0,1]=4 795 B11R0.148 CCCOCCCCCC(C)C 7a_100011995859_100000210303 [0,0,0,0,0,0|3,0,1]=4 796 B11R0.148 CCCOCCCCOC(=O)C 34a_100000073216_100000210303 [0,0,0,0,0,0|3,0,0]=3 797 B11R0.148 CCCOCCCCOC(=O)C 34a_100000210258_100000033659 [0,0,0,0,0,0|3,0,0]=3 798 B11R0.148 CCCOCCCCOC(=O)C 7a_100000073216_100000210303 [0,0,0,0,0,0|3,0,0]=3 799 B11R0.148 CCCOCCCCO[N+](=O)[O-] 34a_100000210258_100015694321 [0,0,0,0,0,0|3,0,1]=4 800 B11R0.148 CCCOCCCCSC(=O)C 34a_100000210258_200010402107 [0,0,0,0,0,0|3,0,0]=3 801 B11R0.148 CCCOCCCNCC(=O)N 2230a_100011217757_100000747473 [0,0,0,0,0,0|3,0,0]=3 802 B11R0.148 CCCOCCCNCC(=O)N 34a_100011217757_100000187820 [0,0,0,0,0,0|3,0,0]=3 803 B11R0.148 CCCOCCCNCC(=O)[O-] 34a_100011217757_100020667443 [0,0,0,0,0,0|2,0,1]=3 804 B11R0.148 CCCOCCCNCC(C)O 2230a_100011217757_100011218427 [0,0,0,0,0,0|3,0,1]=4 805 B11R0.148 CCCOCCCNCC(C)O 34a_100011217757_100011218427 [0,0,0,0,0,0|3,0,1]=4 806 B11R0.148 CCCOCCCNC[C@@H](C)O 2230a_100011217757_100009817552 [0,0,0,0,0,0|3,0,1]=4 807 B11R0.148 CCCOCCCNC[C@@H](C)O 34a_100011217757_100009817552 [0,0,0,0,0,0|3,0,1]=4 808 B11R0.148 CCCOCCCNC[N+](=O)[O-] 34a_100011217757_100000761209 [0,0,0,0,0,0|3,0,1]=4 809 B11R0.148 CCCOCCNCCC(=O)N 2230a_100161115042_100000744528 [0,0,0,0,0,0|3,0,0]=3 810 B11R0.148 CCCOCCNCCC(=O)N 34a_100161115042_100000731001 [0,0,0,0,0,0|3,0,0]=3 811 B11R0.148 CCCOCCNCCC(C)O 2230a_100161115042_100012276601 [0,0,0,0,0,0|3,0,1]=4 812 B11R0.148 CCCOCCNCCC(C)O 2230a_200000755665_100011215938 [0,0,0,0,0,0|3,0,1]=4 813 B11R0.148 CCCOCCNCCC(C)O 34a_100161115042_100012276601 [0,0,0,0,0,0|3,0,1]=4 814 B11R0.148 CCCOCCNCOC(=O)C 34a_100161115042_100009813279 [0,0,0,0,0,0|4,0,0]=4 815 B11R0.148 CCCOCCNOCC(=O)O 269956a_100000106656_100011215938 [0,0,0,0,0,0|3,0,0]=3 816 B11R0.148 CCCOCCOCCC(=O)C 34a_100000759926_100011215938 [0,0,0,0,0,0|3,0,0]=3 817 B11R0.148 CCCOCCOCCC(=O)C 7a_100000752267_100000053229 [0,0,0,0,0,0|3,0,0]=3 818 B11R0.148 CCCOCCOCCC(=O)C 7a_100000759926_100011215938 [0,0,0,0,0,0|3,0,0]=3 819 B11R0.148 CCCOCCOCCC(=O)N 34a_100000752267_100000731001 [0,0,0,0,0,0|3,0,0]=3 820 B11R0.148 CCCOCCOCCC(=O)N 34a_100000757172_100011215938 [0,0,0,0,0,0|3,0,0]=3 821 B11R0.148 CCCOCCOCCC(=O)N 7a_100000752267_100000744528 [0,0,0,0,0,0|3,0,0]=3 822 B11R0.148 CCCOCCOCCC(=O)N 7a_100000757172_100011215938 [0,0,0,0,0,0|3,0,0]=3 823 B11R0.148 CCCOCCOCCC(C)O 34a_100000752267_100012276601 [0,0,0,0,0,0|3,0,1]=4 824 B11R0.148 CCCOCCOCCC(C)O 7a_100000752267_100012276601 [0,0,0,0,0,0|3,0,1]=4 825 B11R0.148 CCCOCCOCOC(=O)C 34a_100000752267_100009813279 [0,0,0,0,0,0|4,0,0]=4 826 B11R0.148 CCCOCCSCCC(=O)C 62a_100000053229_100011215938 [0,0,0,0,0,0|3,0,0]=3 827 B11R0.148 CCCOCCSCCC(=O)C 62a_100011215938_100000053229 [0,0,0,0,0,0|3,0,0]=3 828 B11R0.148 CCCOCCSCCC(=O)N 62a_100000744528_100011215938 [0,0,0,0,0,0|3,0,0]=3 829 B11R0.148 CCCOCCSCCC(=O)N 62a_100011215938_100000744528 [0,0,0,0,0,0|3,0,0]=3 830 B11R0.148 CCCOCCSCCC(C)O 62a_100011215938_100012276601 [0,0,0,0,0,0|3,0,1]=4 831 B11R0.148 CCCOCCSCCC(C)O 62a_100012276601_100011215938 [0,0,0,0,0,0|3,0,1]=4 832 B11R0.148 CCCOCCSCOC(=O)C 62a_100000076356_100011215938 [0,0,0,0,0,0|4,0,0]=4 833 B11R0.148 CCCOCCSCOC(=O)C 62a_100011215938_100000076356 [0,0,0,0,0,0|4,0,0]=4 834 B11R0.148 CCCOCOCCOC(=O)C 34a_100000210258_100000076355 [0,0,0,0,0,0|4,0,0]=4 835 B11R0.148 CCCSCCCCCB(O)O 62a_100000210303_200009817188 [0,0,0,0,0,0|2,0,1]=3 836 B11R0.148 CCCSCCCCCB(O)O 62a_200009817188_100000210303 [0,0,0,0,0,0|2,0,1]=3 837 B11R0.148 CCCSCCCCCC(=O)N 62a_100000210303_100009817443 [0,0,0,0,0,0|2,0,0]=2 838 B11R0.148 CCCSCCCCCC(=O)N 62a_100009817443_100000210303 [0,0,0,0,0,0|2,0,0]=2 839 B11R0.148 CCCSCCCCCC(C)C 62a_100000210303_100000210682 [0,0,0,0,0,0|3,0,1]=4 840 B11R0.148 CCCSCCCCCC(C)C 62a_100000210682_100000210303 [0,0,0,0,0,0|3,0,1]=4 841 B11R0.148 CCCSCCCCOC(=O)C 62a_100000033659_100000210303 [0,0,0,0,0,0|3,0,0]=3 842 B11R0.148 CCCSCCCCOC(=O)C 62a_100000210303_100000033659 [0,0,0,0,0,0|3,0,0]=3 843 B11R0.148 CCCSCCCCO[N+](=O)[O-] 62a_100000210303_100015694321 [0,0,0,0,0,0|3,0,1]=4 844 B11R0.148 CCCSCCCCSC(=O)C 62a_100000210303_200010402107 [0,0,0,0,0,0|3,0,0]=3 845 B11R0.148 CCCSCCCCSC(=O)C 62a_200010402107_100000210303 [0,0,0,0,0,0|3,0,0]=3 846 B11R0.148 CCCSCCNCCC(=O)N 2230a_100020603323_100000744528 [0,0,0,0,0,0|3,0,0]=3 847 B11R0.148 CCCSCCNCCC(C)O 2230a_100020603323_100012276601 [0,0,0,0,0,0|3,0,1]=4 848 B11R0.148 CCCSCCOCCC(=O)C 7a_200000230433_100000053229 [0,0,0,0,0,0|3,0,0]=3 849 B11R0.148 CCCSCCOCCC(=O)N 34a_200000230433_100000731001 [0,0,0,0,0,0|3,0,0]=3 850 B11R0.148 CCCSCCOCCC(=O)N 7a_200000230433_100000744528 [0,0,0,0,0,0|3,0,0]=3 851 B11R0.148 CCCSCCOCCC(C)O 34a_200000230433_100012276601 [0,0,0,0,0,0|3,0,1]=4 852 B11R0.148 CCCSCCOCCC(C)O 7a_200000230433_100012276601 [0,0,0,0,0,0|3,0,1]=4 853 B11R0.148 CCCSCCOCOC(=O)C 34a_200000230433_100009813279 [0,0,0,0,0,0|4,0,0]=4 854 B11R0.148 CCCSCOCCOC(=O)C 62a_100000076355_100000210303 [0,0,0,0,0,0|4,0,0]=4 855 B11R0.148 CCCSCOCCOC(=O)C 62a_100000210303_100000076355 [0,0,0,0,0,0|4,0,0]=4 856 B11R0.148 CCNCCCCCCB(O)O 2230a_100015525214_100009817187 [0,0,0,0,0,0|2,0,1]=3 857 B11R0.148 CCNCCCCCCC(C)C 2230a_100000211014_100000210202 [0,0,0,0,0,0|3,0,1]=4 858 B11R0.148 CCNCCCCCCC(C)C 34a_100000211014_100000210202 [0,0,0,0,0,0|3,0,1]=4 859 B11R0.148 CCNCCCCCNC(=O)C 2230a_200012022750_100000210202 [0,0,0,0,0,0|3,0,0]=3 860 B11R0.148 CCNCCCCCNC(=O)C 34a_200012022750_100000210202 [0,0,0,0,0,0|3,0,0]=3 861 B11R0.148 CCNCCCCCOC(=O)C 2230a_100015525214_100009813381 [0,0,0,0,0,0|3,0,0]=3 862 B11R0.148 CCNCCOCCOC(=O)C 2230a_100015525214_200000083610 [0,0,0,0,0,0|4,0,0]=4 863 B11R0.148 CCOCCCCCCB(O)O 34a_100121572206_100009817187 [0,0,0,0,0,0|2,0,1]=3 864 B11R0.148 CCOCCCCCOC(=O)C 34a_100121572206_100000033007 [0,0,0,0,0,0|3,0,0]=3 865 B11R0.148 CCOCCCNCCC(=O)N 2230a_100000210961_100000744528 [0,0,0,0,0,0|3,0,0]=3 866 B11R0.148 CCOCCCNCCC(=O)N 34a_100000210961_100000731001 [0,0,0,0,0,0|3,0,0]=3 867 B11R0.148 CCOCCCNCCC(C)O 2230a_100000210961_100012276601 [0,0,0,0,0,0|3,0,1]=4 868 B11R0.148 CCOCCCNCCC(C)O 2230a_200000755665_100012232248 [0,0,0,0,0,0|3,0,1]=4 869 B11R0.148 CCOCCCNCCC(C)O 34a_100000210961_100012276601 [0,0,0,0,0,0|3,0,1]=4 870 B11R0.148 CCOCCCNCOC(=O)C 34a_100000210961_100009813279 [0,0,0,0,0,0|4,0,0]=4 871 B11R0.148 CCOCCCNOCC(=O)O 269956a_100000106656_100012232248 [0,0,0,0,0,0|3,0,0]=3 872 B11R0.148 CCOCCCOCCC(=O)C 34a_100000759926_100012232248 [0,0,0,0,0,0|3,0,0]=3 873 B11R0.148 CCOCCCOCCC(=O)C 7a_100000757476_100000053229 [0,0,0,0,0,0|3,0,0]=3 874 B11R0.148 CCOCCCOCCC(=O)C 7a_100000759926_100012232248 [0,0,0,0,0,0|3,0,0]=3 875 B11R0.148 CCOCCCOCCC(=O)N 34a_100000757172_100012232248 [0,0,0,0,0,0|3,0,0]=3 876 B11R0.148 CCOCCCOCCC(=O)N 34a_100000757476_100000731001 [0,0,0,0,0,0|3,0,0]=3 877 B11R0.148 CCOCCCOCCC(=O)N 7a_100000757172_100012232248 [0,0,0,0,0,0|3,0,0]=3 878 B11R0.148 CCOCCCOCCC(=O)N 7a_100000757476_100000744528 [0,0,0,0,0,0|3,0,0]=3 879 B11R0.148 CCOCCCOCCC(C)O 34a_100000757476_100012276601 [0,0,0,0,0,0|3,0,1]=4 880 B11R0.148 CCOCCCOCCC(C)O 7a_100000757476_100012276601 [0,0,0,0,0,0|3,0,1]=4 881 B11R0.148 CCOCCCOCOC(=O)C 34a_100000757476_100009813279 [0,0,0,0,0,0|4,0,0]=4 882 B11R0.148 CCOCCCSCCC(=O)C 62a_100000053229_100012232248 [0,0,0,0,0,0|3,0,0]=3 883 B11R0.148 CCOCCCSCCC(=O)C 62a_100012232248_100000053229 [0,0,0,0,0,0|3,0,0]=3 884 B11R0.148 CCOCCCSCCC(=O)N 62a_100000744528_100012232248 [0,0,0,0,0,0|3,0,0]=3 885 B11R0.148 CCOCCCSCCC(=O)N 62a_100012232248_100000744528 [0,0,0,0,0,0|3,0,0]=3 886 B11R0.148 CCOCCCSCCC(C)O 62a_100012232248_100012276601 [0,0,0,0,0,0|3,0,1]=4 887 B11R0.148 CCOCCCSCCC(C)O 62a_100012276601_100012232248 [0,0,0,0,0,0|3,0,1]=4 888 B11R0.148 CCOCCCSCOC(=O)C 62a_100000076356_100012232248 [0,0,0,0,0,0|4,0,0]=4 889 B11R0.148 CCOCCCSCOC(=O)C 62a_100012232248_100000076356 [0,0,0,0,0,0|4,0,0]=4 890 B11R0.148 CCOCCNCCCC(=O)C 34a_102516460346_100000685027 [0,0,0,0,0,0|3,0,0]=3 891 B11R0.148 CCOCCNCCCC(=O)N 34a_100000739312_100000210147 [0,0,0,0,0,0|3,0,0]=3 892 B11R0.148 CCOCCNCCCC(=O)N 34a_102516460346_100102525003 [0,0,0,0,0,0|3,0,0]=3 893 B11R0.148 CCOCCNCCCC(C)O 2230a_102516460346_200000718107 [0,0,0,0,0,0|3,0,1]=4 894 B11R0.148 CCOCCNCCCC(C)O 34a_102516460346_200000718107 [0,0,0,0,0,0|3,0,1]=4 895 B11R0.148 CCOCCNCCCS(=O)C 2230a_200000753449_100011215890 [0,0,0,0,0,0|4,0,0]=4 896 B11R0.148 CCOCCNCCNC(=O)C 2230a_100000209853_100011215890 [0,0,0,0,0,0|4,0,0]=4 897 B11R0.148 CCOCCNCCNC(=O)C 2230a_102516460346_100000189650 [0,0,0,0,0,0|4,0,0]=4 898 B11R0.148 CCOCCNCCNC(=O)N 2230a_102516460346_200000034859 [0,0,0,0,0,0|4,0,0]=4 899 B11R0.148 CCOCCNCCNC(=O)N 34a_100020590234_100000210147 [0,0,0,0,0,0|4,0,0]=4 900 B11R0.148 CCOCCNCCOC(=O)C 34a_102516460346_100009814007 [0,0,0,0,0,0|4,0,0]=4 901 B11R0.148 CCOCCNCCOC(=O)N 34a_102516460346_200011214921 [0,0,0,0,0,0|4,0,0]=4 902 B11R0.148 CCOCCOCCCC(=O)C 34a_100000210136_100000685027 [0,0,0,0,0,0|3,0,0]=3 903 B11R0.148 CCOCCOCCCC(=O)C 34a_100000759063_100000210147 [0,0,0,0,0,0|3,0,0]=3 904 B11R0.148 CCOCCOCCCC(=O)C 7a_100000210136_100011215641 [0,0,0,0,0,0|3,0,0]=3 905 B11R0.148 CCOCCOCCCC(=O)C 7a_100000759063_100011215890 [0,0,0,0,0,0|3,0,0]=3 906 B11R0.148 CCOCCOCCCC(=O)N 34a_100000210136_100102525003 [0,0,0,0,0,0|3,0,0]=3 907 B11R0.148 CCOCCOCCCC(=O)N 7a_100000210136_100102525003 [0,0,0,0,0,0|3,0,0]=3 908 B11R0.148 CCOCCOCCCC(C)O 34a_100000210136_200000718107 [0,0,0,0,0,0|3,0,1]=4 909 B11R0.148 CCOCCOCCCC(C)O 7a_100000210136_200000718107 [0,0,0,0,0,0|3,0,1]=4 910 B11R0.148 CCOCCOCCC[N+](=O)[O-] 34a_200000037920_100000210147 [0,0,0,0,0,0|3,0,1]=4 911 B11R0.148 CCOCCOCCNC(=O)C 11a_100102712874_100015343762 [0,0,0,0,0,0|4,0,0]=4 912 B11R0.148 CCOCCOCCNC(=O)C 1626a_100102712874_100015343762 [0,0,0,0,0,0|4,0,0]=4 913 B11R0.148 CCOCCOCCNC(=O)C 240690a_100102712874_100015343762 [0,0,0,0,0,0|4,0,0]=4 914 B11R0.148 CCOCCOCCNC(=O)C 34a_100000158858_100000210147 [0,0,0,0,0,0|4,0,0]=4 915 B11R0.148 CCOCCOCCNC(=O)C 527a_100102712874_100103153847 [0,0,0,0,0,0|4,0,0]=4 916 B11R0.148 CCOCCOCCNC(=O)C 7a_100000210136_100000189650 [0,0,0,0,0,0|4,0,0]=4 917 B11R0.148 CCOCCOCCNC(=O)N 34a_100000181757_100000210147 [0,0,0,0,0,0|4,0,0]=4 918 B11R0.148 CCOCCOCCNC(=O)N 7a_100000210136_200000034859 [0,0,0,0,0,0|4,0,0]=4 919 B11R0.148 CCOCCOCCOC(=O)C 34a_100000210136_100009814007 [0,0,0,0,0,0|4,0,0]=4 920 B11R0.148 CCOCCOCCOC(=O)C 34a_100121572206_200000083610 [0,0,0,0,0,0|4,0,0]=4 921 B11R0.148 CCOCCOCCOC(=O)C 7a_100000210136_100009814007 [0,0,0,0,0,0|4,0,0]=4 922 B11R0.148 CCOCCOCCOC(=O)N 34a_100000210136_200011214921 [0,0,0,0,0,0|4,0,0]=4 923 B11R0.148 CCOCCOCCOC(=O)N 7a_100000210136_200011214921 [0,0,0,0,0,0|4,0,0]=4 924 B11R0.148 CCOCCOCCOC(=O)N 7a_100000766696_100011215890 [0,0,0,0,0,0|4,0,0]=4 925 B11R0.148 CCOCCSCCCC(=O)C 62a_100000210147_100011215641 [0,0,0,0,0,0|3,0,0]=3 926 B11R0.148 CCOCCSCCCC(=O)C 62a_100011215641_100011215890 [0,0,0,0,0,0|3,0,0]=3 927 B11R0.148 CCOCCSCCCC(=O)N 62a_100000210147_100102525003 [0,0,0,0,0,0|3,0,0]=3 928 B11R0.148 CCOCCSCCCC(=O)N 62a_100102525003_100011215890 [0,0,0,0,0,0|3,0,0]=3 929 B11R0.148 CCOCCSCCCC(C)O 62a_100000210147_200000718107 [0,0,0,0,0,0|3,0,1]=4 930 B11R0.148 CCOCCSCCCC(C)O 62a_200000718107_100011215890 [0,0,0,0,0,0|3,0,1]=4 931 B11R0.148 CCOCCSCCNC(=O)C 62a_100000189650_100011215890 [0,0,0,0,0,0|4,0,0]=4 932 B11R0.148 CCOCCSCCNC(=O)C 62a_100000210147_100000189650 [0,0,0,0,0,0|4,0,0]=4 933 B11R0.148 CCOCCSCCNC(=O)N 62a_100000210147_200000034859 [0,0,0,0,0,0|4,0,0]=4 934 B11R0.148 CCOCCSCCNC(=O)N 62a_200000034859_100011215890 [0,0,0,0,0,0|4,0,0]=4 935 B11R0.148 CCOCCSCCOC(=O)C 62a_100000210147_100009814007 [0,0,0,0,0,0|4,0,0]=4 936 B11R0.148 CCOCCSCCOC(=O)C 62a_100009814007_100011215890 [0,0,0,0,0,0|4,0,0]=4 937 B11R0.148 CCOCCSCCOC(=O)N 62a_100000210147_200011214921 [0,0,0,0,0,0|4,0,0]=4 938 B11R0.148 CCOCCSCCOC(=O)N 62a_200011214921_100011215890 [0,0,0,0,0,0|4,0,0]=4 939 B11R0.148 CCOCNCCOCC(=O)O 269956a_100000700818_100000739092 [0,0,0,0,0,0|3,0,0]=3 940 B11R0.148 CCOCSCCCCB(O)O 62a_100000739092_200009817182 [0,0,0,0,0,0|3,0,1]=4 941 B11R0.148 CCOCSCCCCB(O)O 62a_200009817182_100000739092 [0,0,0,0,0,0|3,0,1]=4 942 B11R0.148 CCOCSCCCCC(=O)C 62a_100000735457_100000739092 [0,0,0,0,0,0|3,0,0]=3 943 B11R0.148 CCOCSCCCCC(=O)C 62a_100000739092_100000735457 [0,0,0,0,0,0|3,0,0]=3 944 B11R0.148 CCOCSCCCOC(=O)C 62a_100000042594_100000739092 [0,0,0,0,0,0|4,0,0]=4 945 B11R0.148 CCOCSCCCOC(=O)C 62a_100000739092_100000042594 [0,0,0,0,0,0|4,0,0]=4 946 B11R0.148 CCOCSCCCSC(=O)C 62a_100000038929_100000739092 [0,0,0,0,0,0|4,0,0]=4 947 B11R0.148 CCOCSCCCSC(=O)C 62a_100000739092_100000038929 [0,0,0,0,0,0|4,0,0]=4 948 B11R0.148 CCOCSCCOCC(=O)N 62a_100000076697_100000739092 [0,0,0,0,0,0|4,0,0]=4 949 B11R0.148 CCOCSCCOCC(=O)N 62a_100000739092_100000076697 [0,0,0,0,0,0|4,0,0]=4 950 B11R0.148 CCSCCCCCCB(O)O 62a_100000210202_100009817187 [0,0,0,0,0,0|2,0,1]=3 951 B11R0.148 CCSCCCCCCB(O)O 62a_100009817187_100000210202 [0,0,0,0,0,0|2,0,1]=3 952 B11R0.148 CCSCCCCCOC(=O)C 62a_100000033007_100000210202 [0,0,0,0,0,0|3,0,0]=3 953 B11R0.148 CCSCCCCCOC(=O)C 62a_100000210202_100000033007 [0,0,0,0,0,0|3,0,0]=3 954 B11R0.148 CCSCCCOCCC(=O)C 7a_100011216438_100000053229 [0,0,0,0,0,0|3,0,0]=3 955 B11R0.148 CCSCCCOCCC(=O)N 34a_100011216438_100000731001 [0,0,0,0,0,0|3,0,0]=3 956 B11R0.148 CCSCCCOCCC(=O)N 7a_100011216438_100000744528 [0,0,0,0,0,0|3,0,0]=3 957 B11R0.148 CCSCCCOCCC(C)O 34a_100011216438_100012276601 [0,0,0,0,0,0|3,0,1]=4 958 B11R0.148 CCSCCCOCCC(C)O 7a_100011216438_100012276601 [0,0,0,0,0,0|3,0,1]=4 959 B11R0.148 CCSCCCOCOC(=O)C 34a_100011216438_100009813279 [0,0,0,0,0,0|4,0,0]=4 960 B11R0.148 CCSCCNCCCC(=O)N 34a_100000739312_100000757381 [0,0,0,0,0,0|3,0,0]=3 961 B11R0.148 CCSCCNCCCC(C)O 2230a_100000106463_200000718107 [0,0,0,0,0,0|3,0,1]=4 962 B11R0.148 CCSCCNCCCS(=O)C 2230a_200000753449_100000757381 [0,0,0,0,0,0|4,0,0]=4 963 B11R0.148 CCSCCNCCNC(=O)C 2230a_100000106463_100000189650 [0,0,0,0,0,0|4,0,0]=4 964 B11R0.148 CCSCCNCCNC(=O)C 2230a_100000209853_100000757381 [0,0,0,0,0,0|4,0,0]=4 965 B11R0.148 CCSCCNCCNC(=O)N 2230a_100000106463_200000034859 [0,0,0,0,0,0|4,0,0]=4 966 B11R0.148 CCSCCNCCNC(=O)N 34a_100020590234_100000757381 [0,0,0,0,0,0|4,0,0]=4 967 B11R0.148 CCSCCOCCCC(=O)C 34a_100000212035_100000685027 [0,0,0,0,0,0|3,0,0]=3 968 B11R0.148 CCSCCOCCCC(=O)C 34a_100000759063_100000757381 [0,0,0,0,0,0|3,0,0]=3 969 B11R0.148 CCSCCOCCCC(=O)C 7a_100000212035_100011215641 [0,0,0,0,0,0|3,0,0]=3 970 B11R0.148 CCSCCOCCCC(=O)C 7a_100000759063_100000757381 [0,0,0,0,0,0|3,0,0]=3 971 B11R0.148 CCSCCOCCCC(=O)N 34a_100000212035_100102525003 [0,0,0,0,0,0|3,0,0]=3 972 B11R0.148 CCSCCOCCCC(=O)N 7a_100000212035_100102525003 [0,0,0,0,0,0|3,0,0]=3 973 B11R0.148 CCSCCOCCCC(C)O 34a_100000212035_200000718107 [0,0,0,0,0,0|3,0,1]=4 974 B11R0.148 CCSCCOCCCC(C)O 7a_100000212035_200000718107 [0,0,0,0,0,0|3,0,1]=4 975 B11R0.148 CCSCCOCCC[N+](=O)[O-] 34a_200000037920_100000757381 [0,0,0,0,0,0|3,0,1]=4 976 B11R0.148 CCSCCOCCNC(=O)C 34a_100000158858_100000757381 [0,0,0,0,0,0|4,0,0]=4 977 B11R0.148 CCSCCOCCNC(=O)C 7a_100000212035_100000189650 [0,0,0,0,0,0|4,0,0]=4 978 B11R0.148 CCSCCOCCNC(=O)N 34a_100000181757_100000757381 [0,0,0,0,0,0|4,0,0]=4 979 B11R0.148 CCSCCOCCNC(=O)N 7a_100000212035_200000034859 [0,0,0,0,0,0|4,0,0]=4 980 B11R0.148 CCSCCOCCOC(=O)C 34a_100000212035_100009814007 [0,0,0,0,0,0|4,0,0]=4 981 B11R0.148 CCSCCOCCOC(=O)C 62a_100000210202_200000083610 [0,0,0,0,0,0|4,0,0]=4 982 B11R0.148 CCSCCOCCOC(=O)C 62a_200000083610_100000210202 [0,0,0,0,0,0|4,0,0]=4 983 B11R0.148 CCSCCOCCOC(=O)C 7a_100000212035_100009814007 [0,0,0,0,0,0|4,0,0]=4 984 B11R0.148 CCSCCOCCOC(=O)N 34a_100000212035_200011214921 [0,0,0,0,0,0|4,0,0]=4 985 B11R0.148 CCSCCOCCOC(=O)N 7a_100000212035_200011214921 [0,0,0,0,0,0|4,0,0]=4 986 B11R0.148 CCSCCOCCOC(=O)N 7a_100000766696_100000757381 [0,0,0,0,0,0|4,0,0]=4 987 B11R0.148 CCSCCSCCCC(=O)C 62a_100000757381_100011215641 [0,0,0,0,0,0|3,0,0]=3 988 B11R0.148 CCSCCSCCCC(=O)C 62a_100011215641_100000757381 [0,0,0,0,0,0|3,0,0]=3 989 B11R0.148 CCSCCSCCCC(=O)N 62a_100000757381_100102525003 [0,0,0,0,0,0|3,0,0]=3 990 B11R0.148 CCSCCSCCCC(=O)N 62a_100102525003_100000757381 [0,0,0,0,0,0|3,0,0]=3 991 B11R0.148 CCSCCSCCCC(C)O 62a_100000757381_200000718107 [0,0,0,0,0,0|3,0,1]=4 992 B11R0.148 CCSCCSCCCC(C)O 62a_200000718107_100000757381 [0,0,0,0,0,0|3,0,1]=4 993 B11R0.148 CCSCCSCCNC(=O)C 62a_100000189650_100000757381 [0,0,0,0,0,0|4,0,0]=4 994 B11R0.148 CCSCCSCCNC(=O)C 62a_100000757381_100000189650 [0,0,0,0,0,0|4,0,0]=4 995 B11R0.148 CCSCCSCCNC(=O)N 62a_100000757381_200000034859 [0,0,0,0,0,0|4,0,0]=4 996 B11R0.148 CCSCCSCCNC(=O)N 62a_200000034859_100000757381 [0,0,0,0,0,0|4,0,0]=4 997 B11R0.148 CCSCCSCCOC(=O)C 62a_100000757381_100009814007 [0,0,0,0,0,0|4,0,0]=4 998 B11R0.148 CCSCCSCCOC(=O)C 62a_100009814007_100000757381 [0,0,0,0,0,0|4,0,0]=4 999 B11R0.148 CCSCCSCCOC(=O)N 62a_100000757381_200011214921 [0,0,0,0,0,0|4,0,0]=4 1000 B11R0.148 CCSCCSCCOC(=O)N 62a_200011214921_100000757381 [0,0,0,0,0,0|4,0,0]=4 1001 B11R0.148 CN(C)CCCCCCCCO 2230a_100102631434_100000033203 [0,0,0,0,0,0|4,0,0]=4 1002 B11R0.148 CN(C)CCCCCCCCO 269982a_100102631434_100000033203 [0,0,0,0,0,0|4,0,0]=4 1003 B11R0.148 CNCCCCCCNC(=O)C 2230a_200011996284_200000210301 [0,0,0,0,0,0|3,0,0]=3 1004 B11R0.148 CNCCCCCCNC(=O)C 34a_200011996284_200000210301 [0,0,0,0,0,0|3,0,0]=3 1005 B11R0.148 CNCCCCCOCC(=O)N 34a_100000722520_100000187820 [0,0,0,0,0,0|3,0,0]=3 1006 B11R0.148 CNCCCCCOCC(=O)[O-] 34a_100000722520_100020667443 [0,0,0,0,0,0|2,0,1]=3 1007 B11R0.148 CNCCCCCOCC(C)O 34a_100000722520_100011218427 [0,0,0,0,0,0|3,0,1]=4 1008 B11R0.148 CNCCCCCOC[C@@H](C)O 34a_100000722520_100009817552 [0,0,0,0,0,0|3,0,1]=4 1009 B11R0.148 CNCCCCCOC[N+](=O)[O-] 34a_100000722520_100000761209 [0,0,0,0,0,0|3,0,1]=4 1010 B11R0.148 CNCCCOCCCC(=O)C 34a_100000213112_100000685027 [0,0,0,0,0,0|3,0,0]=3 1011 B11R0.148 CNCCCOCCCC(=O)N 34a_100000213112_100102525003 [0,0,0,0,0,0|3,0,0]=3 1012 B11R0.148 CNCCCOCCCC(C)O 34a_100000213112_200000718107 [0,0,0,0,0,0|3,0,1]=4 1013 B11R0.148 CNCCCOCCOC(=O)C 34a_100000213112_100009814007 [0,0,0,0,0,0|4,0,0]=4 1014 B11R0.148 CNCCCOCCOC(=O)N 34a_100000213112_200011214921 [0,0,0,0,0,0|4,0,0]=4 1015 B11R0.148 CNCCOCCOCC(=O)N 34a_100000228057_100000187820 [0,0,0,0,0,0|4,0,0]=4 1016 B11R0.148 CNCCOCCOCC(=O)O 269956a_100009854275_200000210301 [0,0,0,0,0,0|3,0,0]=3 1017 B11R0.148 CNCCOCCOCC(=O)[O-] 34a_100000228057_100020667443 [0,0,0,0,0,0|3,0,1]=4 1018 B11R0.148 COCCCCCCCC(C)C 34a_200000210741_200000210301 [0,0,0,0,0,0|3,0,1]=4 1019 B11R0.148 COCCCCCCCC(C)C 7a_200000210741_200000210301 [0,0,0,0,0,0|3,0,1]=4 1020 B11R0.148 COCCCCCNCC(=O)N 2230a_100000747528_100000747473 [0,0,0,0,0,0|3,0,0]=3 1021 B11R0.148 COCCCCCNCC(=O)N 34a_100000747528_100000187820 [0,0,0,0,0,0|3,0,0]=3 1022 B11R0.148 COCCCCCNCC(=O)[O-] 34a_100000747528_100020667443 [0,0,0,0,0,0|2,0,1]=3 1023 B11R0.148 COCCCCCNCC(C)O 2230a_100000747528_100011218427 [0,0,0,0,0,0|3,0,1]=4 1024 B11R0.148 COCCCCCNCC(C)O 34a_100000747528_100011218427 [0,0,0,0,0,0|3,0,1]=4 1025 B11R0.148 COCCCCCNC[C@@H](C)O 2230a_100000747528_100009817552 [0,0,0,0,0,0|3,0,1]=4 1026 B11R0.148 COCCCCCNC[C@@H](C)O 34a_100000747528_100009817552 [0,0,0,0,0,0|3,0,1]=4 1027 B11R0.148 COCCCCCNC[N+](=O)[O-] 34a_100000747528_100000761209 [0,0,0,0,0,0|3,0,1]=4 1028 B11R0.148 COCCCCNCCC(C)O 2230a_200000755665_100000730899 [0,0,0,0,0,0|3,0,1]=4 1029 B11R0.148 COCCCCNOCC(=O)O 269956a_100000106656_100000730899 [0,0,0,0,0,0|3,0,0]=3 1030 B11R0.148 COCCCCOCCC(=O)C 34a_100000759926_100000755781 [0,0,0,0,0,0|3,0,0]=3 1031 B11R0.148 COCCCCOCCC(=O)C 7a_100000759926_100000730899 [0,0,0,0,0,0|3,0,0]=3 1032 B11R0.148 COCCCCOCCC(=O)N 34a_100000740925_100000731001 [0,0,0,0,0,0|3,0,0]=3 1033 B11R0.148 COCCCCOCCC(=O)N 34a_100000757172_100000755781 [0,0,0,0,0,0|3,0,0]=3 1034 B11R0.148 COCCCCOCCC(=O)N 7a_100000757172_100000730899 [0,0,0,0,0,0|3,0,0]=3 1035 B11R0.148 COCCCCOCCC(C)O 34a_100000740925_100012276601 [0,0,0,0,0,0|3,0,1]=4 1036 B11R0.148 COCCCCOCOC(=O)C 34a_100000740925_100009813279 [0,0,0,0,0,0|4,0,0]=4 1037 B11R0.148 COCCCCSCCC(=O)C 62a_100000053229_100000730899 [0,0,0,0,0,0|3,0,0]=3 1038 B11R0.148 COCCCCSCCC(=O)C 62a_100000730899_100000053229 [0,0,0,0,0,0|3,0,0]=3 1039 B11R0.148 COCCCCSCCC(=O)N 62a_100000730899_100000744528 [0,0,0,0,0,0|3,0,0]=3 1040 B11R0.148 COCCCCSCCC(=O)N 62a_100000744528_100000730899 [0,0,0,0,0,0|3,0,0]=3 1041 B11R0.148 COCCCCSCCC(C)O 62a_100000730899_100012276601 [0,0,0,0,0,0|3,0,1]=4 1042 B11R0.148 COCCCCSCCC(C)O 62a_100012276601_100000730899 [0,0,0,0,0,0|3,0,1]=4 1043 B11R0.148 COCCCCSCOC(=O)C 62a_100000076356_100000730899 [0,0,0,0,0,0|4,0,0]=4 1044 B11R0.148 COCCCCSCOC(=O)C 62a_100000730899_100000076356 [0,0,0,0,0,0|4,0,0]=4 1045 B11R0.148 COCCCNCCCC(=O)C 34a_100150723488_100000685027 [0,0,0,0,0,0|3,0,0]=3 1046 B11R0.148 COCCCNCCCC(=O)N 34a_100000739312_100000740836 [0,0,0,0,0,0|3,0,0]=3 1047 B11R0.148 COCCCNCCCC(=O)N 34a_100150723488_100102525003 [0,0,0,0,0,0|3,0,0]=3 1048 B11R0.148 COCCCNCCCC(C)O 34a_100150723488_200000718107 [0,0,0,0,0,0|3,0,1]=4 1049 B11R0.148 COCCCNCCCS(=O)C 2230a_200000753449_100000740836 [0,0,0,0,0,0|4,0,0]=4 1050 B11R0.148 COCCCNCCNC(=O)C 2230a_100000209853_100000740836 [0,0,0,0,0,0|4,0,0]=4 1051 B11R0.148 COCCCNCCNC(=O)N 34a_100020590234_100000740836 [0,0,0,0,0,0|4,0,0]=4 1052 B11R0.148 COCCCNCCOC(=O)C 34a_100150723488_100009814007 [0,0,0,0,0,0|4,0,0]=4 1053 B11R0.148 COCCCNCCOC(=O)N 34a_100150723488_200011214921 [0,0,0,0,0,0|4,0,0]=4 1054 B11R0.148 COCCCOCCCC(=O)C 34a_100000740835_100000685027 [0,0,0,0,0,0|3,0,0]=3 1055 B11R0.148 COCCCOCCCC(=O)C 34a_100000759063_100000740836 [0,0,0,0,0,0|3,0,0]=3 1056 B11R0.148 COCCCOCCCC(=O)C 7a_100000759063_100000740836 [0,0,0,0,0,0|3,0,0]=3 1057 B11R0.148 COCCCOCCCC(=O)N 34a_100000740835_100102525003 [0,0,0,0,0,0|3,0,0]=3 1058 B11R0.148 COCCCOCCCC(C)O 34a_100000740835_200000718107 [0,0,0,0,0,0|3,0,1]=4 1059 B11R0.148 COCCCOCCC[N+](=O)[O-] 34a_200000037920_100000740836 [0,0,0,0,0,0|3,0,1]=4 1060 B11R0.148 COCCCOCCNC(=O)C 34a_100000158858_100000740836 [0,0,0,0,0,0|4,0,0]=4 1061 B11R0.148 COCCCOCCNC(=O)N 34a_100000181757_100000740836 [0,0,0,0,0,0|4,0,0]=4 1062 B11R0.148 COCCCOCCOC(=O)C 34a_100000740835_100009814007 [0,0,0,0,0,0|4,0,0]=4 1063 B11R0.148 COCCCOCCOC(=O)N 34a_100000740835_200011214921 [0,0,0,0,0,0|4,0,0]=4 1064 B11R0.148 COCCCOCCOC(=O)N 7a_100000766696_100000740836 [0,0,0,0,0,0|4,0,0]=4 1065 B11R0.148 COCCCSCCCC(=O)C 62a_100000709357_100011215641 [0,0,0,0,0,0|3,0,0]=3 1066 B11R0.148 COCCCSCCCC(=O)C 62a_100011215641_100000709357 [0,0,0,0,0,0|3,0,0]=3 1067 B11R0.148 COCCCSCCCC(=O)N 62a_100000709357_100102525003 [0,0,0,0,0,0|3,0,0]=3 1068 B11R0.148 COCCCSCCCC(=O)N 62a_100102525003_100000709357 [0,0,0,0,0,0|3,0,0]=3 1069 B11R0.148 COCCCSCCCC(C)O 62a_100000709357_200000718107 [0,0,0,0,0,0|3,0,1]=4 1070 B11R0.148 COCCCSCCCC(C)O 62a_200000718107_100000709357 [0,0,0,0,0,0|3,0,1]=4 1071 B11R0.148 COCCCSCCNC(=O)C 62a_100000189650_100000709357 [0,0,0,0,0,0|4,0,0]=4 1072 B11R0.148 COCCCSCCNC(=O)C 62a_100000709357_100000189650 [0,0,0,0,0,0|4,0,0]=4 1073 B11R0.148 COCCCSCCNC(=O)N 62a_100000709357_200000034859 [0,0,0,0,0,0|4,0,0]=4 1074 B11R0.148 COCCCSCCNC(=O)N 62a_200000034859_100000709357 [0,0,0,0,0,0|4,0,0]=4 1075 B11R0.148 COCCCSCCOC(=O)C 62a_100000709357_100009814007 [0,0,0,0,0,0|4,0,0]=4 1076 B11R0.148 COCCCSCCOC(=O)C 62a_100009814007_100000709357 [0,0,0,0,0,0|4,0,0]=4 1077 B11R0.148 COCCCSCCOC(=O)N 62a_100000709357_200011214921 [0,0,0,0,0,0|4,0,0]=4 1078 B11R0.148 COCCCSCCOC(=O)N 62a_200011214921_100000709357 [0,0,0,0,0,0|4,0,0]=4 1079 B11R0.148 COCCNCCCCB(O)O 2230a_100000209980_200009817182 [0,0,0,0,0,0|3,0,1]=4 1080 B11R0.148 COCCNCCCCC(=O)N 34a_100000696515_100011201679 [0,0,0,0,0,0|3,0,0]=3 1081 B11R0.148 COCCNCCCNC(=O)C 34a_100000736810_100011201679 [0,0,0,0,0,0|4,0,0]=4 1082 B11R0.148 COCCNCCCSC(=O)C 2230a_100000209980_100000038929 [0,0,0,0,0,0|4,0,0]=4 1083 B11R0.148 COCCNCCOCC(=O)N 2230a_100000209980_100000076697 [0,0,0,0,0,0|4,0,0]=4 1084 B11R0.148 COCCNCCOCC(=O)O 269956a_100000700818_100000233755 [0,0,0,0,0,0|3,0,0]=3 1085 B11R0.148 COCCOCCCCB(O)O 34a_100000210237_200009817182 [0,0,0,0,0,0|3,0,1]=4 1086 B11R0.148 COCCOCCCCC(=O)C 34a_100000210237_100009817362 [0,0,0,0,0,0|3,0,0]=3 1087 B11R0.148 COCCOCCCCC(=O)N 34a_100012022536_100011201679 [0,0,0,0,0,0|3,0,0]=3 1088 B11R0.148 COCCOCCCCC(=O)N 7a_100012022536_100000233755 [0,0,0,0,0,0|3,0,0]=3 1089 B11R0.148 COCCOCCCC[N+](=O)[O-] 34a_200015379883_100011201679 [0,0,0,0,0,0|3,0,1]=4 1090 B11R0.148 COCCOCCCC[N+](=O)[O-] 7a_200015379883_100000233755 [0,0,0,0,0,0|3,0,1]=4 1091 B11R0.148 COCCOCCCNC(=O)C 1626a_100000206027_100015343762 [0,0,0,0,0,0|4,0,0]=4 1092 B11R0.148 COCCOCCCNC(=O)C 240690a_100000206027_100015343762 [0,0,0,0,0,0|4,0,0]=4 1093 B11R0.148 COCCOCCCNC(=O)C 34a_100000752032_100011201679 [0,0,0,0,0,0|4,0,0]=4 1094 B11R0.148 COCCOCCCOC(=O)C 34a_100000210237_100000042594 [0,0,0,0,0,0|4,0,0]=4 1095 B11R0.148 COCCOCCCSC(=O)C 34a_100000210237_100000038929 [0,0,0,0,0,0|4,0,0]=4 1096 B11R0.148 COCCOCCNCC(=O)N 2230a_100000711301_100000695917 [0,0,0,0,0,0|4,0,0]=4 1097 B11R0.148 COCCOCCNCC(=O)N 2230a_100000745349_100000747473 [0,0,0,0,0,0|4,0,0]=4 1098 B11R0.148 COCCOCCNCC(=O)N 34a_100000745349_100000187820 [0,0,0,0,0,0|4,0,0]=4 1099 B11R0.148 COCCOCCNCC(=O)O 269956a_100016091260_100000695917 [0,0,0,0,0,0|3,0,0]=3 1100 B11R0.148 COCCOCCNCC(=O)[O-] 34a_100000745349_100020667443 [0,0,0,0,0,0|3,0,1]=4 1101 B11R0.148 COCCOCCOCC(=O)C 1458a_100011214951_200000210301 [0,0,0,0,0,0|4,0,0]=4 1102 B11R0.148 COCCOCCOCC(=O)C 34a_100000211253_100000695917 [0,0,0,0,0,0|4,0,0]=4 1103 B11R0.148 COCCOCCOCC(=O)N 34a_100000210237_100000076697 [0,0,0,0,0,0|4,0,0]=4 1104 B11R0.148 COCCOCCOCC(=O)N 34a_100011215163_100000187820 [0,0,0,0,0,0|4,0,0]=4 1105 B11R0.148 COCCOCCOCC(=O)N 7a_100011215163_100000187820 [0,0,0,0,0,0|4,0,0]=4 1106 B11R0.148 COCCOCCOCC(=O)[13CH3] 1458a_100011214951_200025704644 [0,0,0,0,0,0|4,0,0]=4 1107 B11R0.148 COCCOCCOCC(=O)[O-] 34a_100011215163_100020667443 [0,0,0,0,0,0|3,0,1]=4 1108 B11R0.148 COCCOCCSCC(=O)N 62a_100000695917_100000747473 [0,0,0,0,0,0|4,0,0]=4 1109 B11R0.148 COCCOCCSCC(=O)N 62a_100000747473_100000695917 [0,0,0,0,0,0|4,0,0]=4 1110 B11R0.148 COCCOCCSCC(=O)[O-] 62a_100000695917_100020667443 [0,0,0,0,0,0|3,0,1]=4 1111 B11R0.148 COCCOCCSCC(=O)[O-] 62a_100020667443_100000695917 [0,0,0,0,0,0|3,0,1]=4 1112 B11R0.148 COCCOCNOCC(=O)O 269956a_100000106656_100000231047 [0,0,0,0,0,0|4,0,0]=4 1113 B11R0.148 COCCOCSCCC(=O)C 62a_100000053229_100000231047 [0,0,0,0,0,0|4,0,0]=4 1114 B11R0.148 COCCOCSCCC(=O)C 62a_100000231047_100000053229 [0,0,0,0,0,0|4,0,0]=4 1115 B11R0.148 COCCOCSCCC(=O)N 62a_100000231047_100000744528 [0,0,0,0,0,0|4,0,0]=4 1116 B11R0.148 COCCOCSCCC(=O)N 62a_100000744528_100000231047 [0,0,0,0,0,0|4,0,0]=4 1117 B11R0.148 COCCSCCCCB(O)O 62a_100000233755_200009817182 [0,0,0,0,0,0|3,0,1]=4 1118 B11R0.148 COCCSCCCCB(O)O 62a_200009817182_100000233755 [0,0,0,0,0,0|3,0,1]=4 1119 B11R0.148 COCCSCCCCC(=O)C 62a_100000233755_100000735457 [0,0,0,0,0,0|3,0,0]=3 1120 B11R0.148 COCCSCCCCC(=O)C 62a_100000735457_100000233755 [0,0,0,0,0,0|3,0,0]=3 1121 B11R0.148 COCCSCCCOC(=O)C 62a_100000042594_100000233755 [0,0,0,0,0,0|4,0,0]=4 1122 B11R0.148 COCCSCCCOC(=O)C 62a_100000233755_100000042594 [0,0,0,0,0,0|4,0,0]=4 1123 B11R0.148 COCCSCCCSC(=O)C 62a_100000038929_100000233755 [0,0,0,0,0,0|4,0,0]=4 1124 B11R0.148 COCCSCCCSC(=O)C 62a_100000233755_100000038929 [0,0,0,0,0,0|4,0,0]=4 1125 B11R0.148 COCCSCCOCC(=O)N 62a_100000076697_100000233755 [0,0,0,0,0,0|4,0,0]=4 1126 B11R0.148 COCCSCCOCC(=O)N 62a_100000233755_100000076697 [0,0,0,0,0,0|4,0,0]=4 1127 B11R0.148 COCNCCCCNC(=O)C 2230a_200011368371_100000766300 [0,0,0,0,0,0|4,0,0]=4 1128 B11R0.148 COCSCCCCCB(O)O 62a_100000766300_200009817188 [0,0,0,0,0,0|3,0,1]=4 1129 B11R0.148 COCSCCCCCB(O)O 62a_200009817188_100000766300 [0,0,0,0,0,0|3,0,1]=4 1130 B11R0.148 COCSCCCCCC(=O)N 62a_100000766300_100009817443 [0,0,0,0,0,0|3,0,0]=3 1131 B11R0.148 COCSCCCCCC(=O)N 62a_100009817443_100000766300 [0,0,0,0,0,0|3,0,0]=3 1132 B11R0.148 COCSCCCCOC(=O)C 62a_100000033659_100000766300 [0,0,0,0,0,0|4,0,0]=4 1133 B11R0.148 COCSCCCCOC(=O)C 62a_100000766300_100000033659 [0,0,0,0,0,0|4,0,0]=4 1134 B11R0.148 COCSCCCCSC(=O)C 62a_100000766300_200010402107 [0,0,0,0,0,0|4,0,0]=4 1135 B11R0.148 COCSCCCCSC(=O)C 62a_200010402107_100000766300 [0,0,0,0,0,0|4,0,0]=4 1136 B11R0.148 CS(=O)CCCNCCCCF 2230a_200000753449_100000729493 [0,0,0,0,0,0|4,0,0]=4 1137 B11R0.148 CS(=O)CCCNCCCCO 2230a_200000753449_100000210776 [0,0,0,0,0,0|4,0,0]=4 1138 B11R0.148 CSCCCCOCCC(=O)C 7a_100011217163_100000053229 [0,0,0,0,0,0|3,0,0]=3 1139 B11R0.148 CSCCCCOCCC(=O)N 34a_100011217163_100000731001 [0,0,0,0,0,0|3,0,0]=3 1140 B11R0.148 CSCCCCOCCC(=O)N 7a_100011217163_100000744528 [0,0,0,0,0,0|3,0,0]=3 1141 B11R0.148 CSCCCCOCCC(C)O 34a_100011217163_100012276601 [0,0,0,0,0,0|3,0,1]=4 1142 B11R0.148 CSCCCCOCCC(C)O 7a_100011217163_100012276601 [0,0,0,0,0,0|3,0,1]=4 1143 B11R0.148 CSCCCCOCOC(=O)C 34a_100011217163_100009813279 [0,0,0,0,0,0|4,0,0]=4 1144 B11R0.148 CSCCCNCCCC(C)O 2230a_100000749238_200000718107 [0,0,0,0,0,0|3,0,1]=4 1145 B11R0.148 CSCCCNCCNC(=O)C 2230a_100000749238_100000189650 [0,0,0,0,0,0|4,0,0]=4 1146 B11R0.148 CSCCCNCCNC(=O)N 2230a_100000749238_200000034859 [0,0,0,0,0,0|4,0,0]=4 1147 B11R0.148 CSCCCOCCCC(=O)C 34a_100000690336_100000685027 [0,0,0,0,0,0|3,0,0]=3 1148 B11R0.148 CSCCCOCCCC(=O)C 7a_100000690336_100011215641 [0,0,0,0,0,0|3,0,0]=3 1149 B11R0.148 CSCCCOCCCC(=O)N 34a_100000690336_100102525003 [0,0,0,0,0,0|3,0,0]=3 1150 B11R0.148 CSCCCOCCCC(=O)N 7a_100000690336_100102525003 [0,0,0,0,0,0|3,0,0]=3 1151 B11R0.148 CSCCCOCCCC(C)O 34a_100000690336_200000718107 [0,0,0,0,0,0|3,0,1]=4 1152 B11R0.148 CSCCCOCCCC(C)O 7a_100000690336_200000718107 [0,0,0,0,0,0|3,0,1]=4 1153 B11R0.148 CSCCCOCCNC(=O)C 7a_100000690336_100000189650 [0,0,0,0,0,0|4,0,0]=4 1154 B11R0.148 CSCCCOCCNC(=O)N 7a_100000690336_200000034859 [0,0,0,0,0,0|4,0,0]=4 1155 B11R0.148 CSCCCOCCOC(=O)C 34a_100000690336_100009814007 [0,0,0,0,0,0|4,0,0]=4 1156 B11R0.148 CSCCCOCCOC(=O)C 7a_100000690336_100009814007 [0,0,0,0,0,0|4,0,0]=4 1157 B11R0.148 CSCCCOCCOC(=O)N 34a_100000690336_200011214921 [0,0,0,0,0,0|4,0,0]=4 1158 B11R0.148 CSCCCOCCOC(=O)N 7a_100000690336_200011214921 [0,0,0,0,0,0|4,0,0]=4 1159 B11R0.148 CSCCNCCCCB(O)O 2230a_100020590264_200009817182 [0,0,0,0,0,0|3,0,1]=4 1160 B11R0.148 CSCCNCCCCC(=O)N 34a_100000696515_100000212216 [0,0,0,0,0,0|3,0,0]=3 1161 B11R0.148 CSCCNCCCNC(=O)C 34a_100000736810_100000212216 [0,0,0,0,0,0|4,0,0]=4 1162 B11R0.148 CSCCNCCCSC(=O)C 2230a_100020590264_100000038929 [0,0,0,0,0,0|4,0,0]=4 1163 B11R0.148 CSCCNCCOCC(=O)N 2230a_100020590264_100000076697 [0,0,0,0,0,0|4,0,0]=4 1164 B11R0.148 CSCCNCCOCC(=O)O 269956a_100000700818_100000212216 [0,0,0,0,0,0|3,0,0]=3 1165 B11R0.148 CSCCOCCCCB(O)O 34a_100000230434_200009817182 [0,0,0,0,0,0|3,0,1]=4 1166 B11R0.148 CSCCOCCCCB(O)O 7a_100000230434_200009817182 [0,0,0,0,0,0|3,0,1]=4 1167 B11R0.148 CSCCOCCCCC(=O)C 34a_100000230434_100009817362 [0,0,0,0,0,0|3,0,0]=3 1168 B11R0.148 CSCCOCCCCC(=O)C 7a_100000230434_100000735457 [0,0,0,0,0,0|3,0,0]=3 1169 B11R0.148 CSCCOCCCCC(=O)N 34a_100012022536_100000212216 [0,0,0,0,0,0|3,0,0]=3 1170 B11R0.148 CSCCOCCCCC(=O)N 7a_100012022536_100000212216 [0,0,0,0,0,0|3,0,0]=3 1171 B11R0.148 CSCCOCCCC[N+](=O)[O-] 34a_200015379883_100000212216 [0,0,0,0,0,0|3,0,1]=4 1172 B11R0.148 CSCCOCCCC[N+](=O)[O-] 7a_200015379883_100000212216 [0,0,0,0,0,0|3,0,1]=4 1173 B11R0.148 CSCCOCCCNC(=O)C 34a_100000752032_100000212216 [0,0,0,0,0,0|4,0,0]=4 1174 B11R0.148 CSCCOCCCOC(=O)C 34a_100000230434_100000042594 [0,0,0,0,0,0|4,0,0]=4 1175 B11R0.148 CSCCOCCCOC(=O)C 7a_100000230434_100000042594 [0,0,0,0,0,0|4,0,0]=4 1176 B11R0.148 CSCCOCCCSC(=O)C 34a_100000230434_100000038929 [0,0,0,0,0,0|4,0,0]=4 1177 B11R0.148 CSCCOCCCSC(=O)C 7a_100000230434_100000038929 [0,0,0,0,0,0|4,0,0]=4 1178 B11R0.148 CSCCOCCOCC(=O)N 34a_100000230434_100000076697 [0,0,0,0,0,0|4,0,0]=4 1179 B11R0.148 CSCCOCCOCC(=O)N 7a_100000230434_100000076697 [0,0,0,0,0,0|4,0,0]=4 1180 B11R0.148 CSCCSCCCCB(O)O 62a_100000212216_200009817182 [0,0,0,0,0,0|3,0,1]=4 1181 B11R0.148 CSCCSCCCCB(O)O 62a_200009817182_100000751147 [0,0,0,0,0,0|3,0,1]=4 1182 B11R0.148 CSCCSCCCCC(=O)C 62a_100000212216_100000735457 [0,0,0,0,0,0|3,0,0]=3 1183 B11R0.148 CSCCSCCCCC(=O)C 62a_100000735457_100000751147 [0,0,0,0,0,0|3,0,0]=3 1184 B11R0.148 CSCCSCCCOC(=O)C 62a_100000042594_100000751147 [0,0,0,0,0,0|4,0,0]=4 1185 B11R0.148 CSCCSCCCOC(=O)C 62a_100000212216_100000042594 [0,0,0,0,0,0|4,0,0]=4 1186 B11R0.148 CSCCSCCCSC(=O)C 62a_100000038929_100000751147 [0,0,0,0,0,0|4,0,0]=4 1187 B11R0.148 CSCCSCCCSC(=O)C 62a_100000212216_100000038929 [0,0,0,0,0,0|4,0,0]=4 1188 B11R0.148 CSCCSCCOCC(=O)N 62a_100000076697_100000751147 [0,0,0,0,0,0|4,0,0]=4 1189 B11R0.148 CSCCSCCOCC(=O)N 62a_100000212216_100000076697 [0,0,0,0,0,0|4,0,0]=4 1190 B11R0.148 CSCNCCCCNC(=O)C 2230a_200011368371_100011218213 [0,0,0,0,0,0|4,0,0]=4 1191 B11R0.148 CSCNCCCCNC(=O)C 34a_200011368371_100011218213 [0,0,0,0,0,0|4,0,0]=4 1192 B11R0.148 CSCOCCCCCC(=O)N 34a_100000123541_100011218213 [0,0,0,0,0,0|3,0,0]=3 1193 B11R0.148 CSCOCCCCOC(=O)C 34a_100000073216_100011218213 [0,0,0,0,0,0|4,0,0]=4 1194 B11R0.148 CSCSCCCCCB(O)O 62a_100011218213_200009817188 [0,0,0,0,0,0|3,0,1]=4 1195 B11R0.148 CSCSCCCCCB(O)O 62a_200009817188_100011218213 [0,0,0,0,0,0|3,0,1]=4 1196 B11R0.148 CSCSCCCCCC(=O)N 62a_100009817443_100011218213 [0,0,0,0,0,0|3,0,0]=3 1197 B11R0.148 CSCSCCCCCC(=O)N 62a_100011218213_100009817443 [0,0,0,0,0,0|3,0,0]=3 1198 B11R0.148 CSCSCCCCOC(=O)C 62a_100000033659_100011218213 [0,0,0,0,0,0|4,0,0]=4 1199 B11R0.148 CSCSCCCCOC(=O)C 62a_100011218213_100000033659 [0,0,0,0,0,0|4,0,0]=4 1200 B11R0.148 CSCSCCCCSC(=O)C 62a_100011218213_200010402107 [0,0,0,0,0,0|4,0,0]=4 1201 B11R0.148 CSCSCCCCSC(=O)C 62a_200010402107_100011218213 [0,0,0,0,0,0|4,0,0]=4 1202 B11R0.148 C[C@@H](O)CNCCCCCCO 2230a_100000686447_100009817552 [0,0,0,0,0,0|3,0,1]=4 1203 B11R0.148 C[C@@H](O)CNCCCCCCO 34a_100000686447_100009817552 [0,0,0,0,0,0|3,0,1]=4 1204 B11R0.148 C[C@@H](O)COCCCCCCBr 34a_100011215345_100009817552 [0,0,0,0,0,0|3,0,1]=4 1205 B11R0.148 C[C@@H](O)COCCCCCCBr 7a_100011215345_100009817552 [0,0,0,0,0,0|3,0,1]=4 1206 B11R0.148 C[C@@H](O)COCCCCCCCl 34a_100000766143_100009817552 [0,0,0,0,0,0|3,0,1]=4 1207 B11R0.148 C[C@@H](O)COCCCCCCCl 7a_100000766143_100009817552 [0,0,0,0,0,0|3,0,1]=4 1208 B11R0.148 C[C@@H](O)COCCCCCCF 34a_100000732779_100009817552 [0,0,0,0,0,0|3,0,1]=4 1209 B11R0.148 C[C@@H](O)COCCCCCCF 7a_100000732779_100009817552 [0,0,0,0,0,0|3,0,1]=4 1210 B11R0.148 C[C@@H](O)COCCCCCCN 34a_100000686447_100009817552 [0,0,0,0,0,0|3,0,1]=4 1211 B11R0.148 C[C@@H](O)CSCCCCCCF 62a_100009817552_100015922095 [0,0,0,0,0,0|3,0,1]=4 1212 B11R0.148 C[C@@H](O)CSCCCCCCF 62a_100015922095_100009817552 [0,0,0,0,0,0|3,0,1]=4 1213 B11R0.148 C[C@@H](O)CSCCCCCCO 62a_100000766143_100009817552 [0,0,0,0,0,0|3,0,1]=4 1214 B11R0.148 C[C@@H](O)CSCCCCCCO 62a_100009817552_100000766143 [0,0,0,0,0,0|3,0,1]=4 1215 B11R0.148 N#CCCCCCNCC(=O)N 2230a_100000711301_100009813376 [0,0,0,0,0,0|3,0,1]=4 1216 B11R0.148 N#CCCCCCNCC(=O)O 269956a_100016091260_100009813376 [0,0,0,0,0,0|2,0,1]=3 1217 B11R0.148 N#CCCCCCSCC(=O)N 62a_100000747473_100009813376 [0,0,0,0,0,0|3,0,1]=4 1218 B11R0.148 N#CCCCCCSCC(=O)N 62a_100009813376_100000747473 [0,0,0,0,0,0|3,0,1]=4 1219 B11R0.148 N#CCCCCCSCC(=O)[O-] 62a_100009813376_100020667443 [0,0,0,0,0,0|2,0,2]=4 1220 B11R0.148 N#CCCCCCSCC(=O)[O-] 62a_100020667443_100009813376 [0,0,0,0,0,0|2,0,2]=4 1221 B11R0.148 N#CCCCCNOCC(=O)O 269956a_100000106656_100011219923 [0,0,0,0,0,0|3,0,1]=4 1222 B11R0.148 N#CCCCCOCCC(=O)N 7a_100000757172_100000211819 [0,0,0,0,0,0|3,0,1]=4 1223 B11R0.148 N#CCCCCSCCC(=O)N 62a_100000744528_100000211819 [0,0,0,0,0,0|3,0,1]=4 1224 B11R0.148 N#CCCCCSCCC(=O)N 62a_100011219923_100000744528 [0,0,0,0,0,0|3,0,1]=4 1225 B11R0.148 N#CCCCSCCCC(=O)N 62a_100000687738_100102525003 [0,0,0,0,0,0|3,0,1]=4 1226 B11R0.148 N#CCCCSCCCC(=O)N 62a_100102525003_100000687738 [0,0,0,0,0,0|3,0,1]=4 1227 B11R0.148 N#CCCNCCOCC(=O)O 269956a_100000700818_100011215226 [0,0,0,0,0,0|3,0,1]=4 1228 B11R0.148 N#CCCOCCCCC(=O)N 7a_100012022536_100000184422 [0,0,0,0,0,0|3,0,1]=4 1229 B11R0.148 N#CCOCCCCCC(=O)N 7a_100000123541_100011215382 [0,0,0,0,0,0|3,0,1]=4 1230 B11R0.148 N#CCOCCCCCC(=O)[O-] 7a_100102619762_100011215382 [0,0,0,0,0,0|2,0,2]=4 1231 B11R0.148 N#CCSCCCCCC(=O)N 62a_100009817443_100011215382 [0,0,0,0,0,0|3,0,1]=4 1232 B11R0.148 N#CCSCCCCCC(=O)N 62a_100011215382_100009817443 [0,0,0,0,0,0|3,0,1]=4 1233 B11R0.148 NC(=O)CCCCCNCCF 34a_100000724931_100009817443 [0,0,0,0,0,0|3,0,0]=3 1234 B11R0.148 NC(=O)CCCCCNCCO 2230a_100016997473_100009817443 [0,0,0,0,0,0|3,0,0]=3 1235 B11R0.148 NC(=O)CCCCCNCCO 34a_100016990907_100009817443 [0,0,0,0,0,0|3,0,0]=3 1236 B11R0.148 NC(=O)CCCCCOCC=O 34a_100000123541_200009817547 [0,0,0,0,0,0|3,0,1]=4 1237 B11R0.148 NC(=O)CCCCCOCC=O 7a_100000123541_200015260668 [0,0,0,0,0,0|3,0,1]=4 1238 B11R0.148 NC(=O)CCCCCOCCBr 34a_100000211926_100009817443 [0,0,0,0,0,0|3,0,0]=3 1239 B11R0.148 NC(=O)CCCCCOCCF 34a_100000123541_100011217306 [0,0,0,0,0,0|3,0,0]=3 1240 B11R0.148 NC(=O)CCCCCOCCF 7a_100000123541_100011217306 [0,0,0,0,0,0|3,0,0]=3 1241 B11R0.148 NC(=O)CCCCCOCCO 34a_100000123541_100000211926 [0,0,0,0,0,0|3,0,0]=3 1242 B11R0.148 NC(=O)CCCCCOCCO 7a_100000123541_100000211926 [0,0,0,0,0,0|3,0,0]=3 1243 B11R0.148 NC(=O)CCCCCSCC=O 62a_100009817443_200015260668 [0,0,0,0,0,0|3,0,1]=4 1244 B11R0.148 NC(=O)CCCCCSCC=O 62a_200015260668_100009817443 [0,0,0,0,0,0|3,0,1]=4 1245 B11R0.148 NC(=O)CCCCCSCCF 62a_100009817443_100011217306 [0,0,0,0,0,0|3,0,0]=3 1246 B11R0.148 NC(=O)CCCCCSCCF 62a_100011217306_100009817443 [0,0,0,0,0,0|3,0,0]=3 1247 B11R0.148 NC(=O)CCCCCSCCO 62a_100000211926_100009817443 [0,0,0,0,0,0|3,0,0]=3 1248 B11R0.148 NC(=O)CCCCCSCCO 62a_100009817443_100000211926 [0,0,0,0,0,0|3,0,0]=3 1249 B11R0.148 NC(=O)CCCCNCCCF 34a_100000696515_100011934791 [0,0,0,0,0,0|3,0,0]=3 1250 B11R0.148 NC(=O)CCCCNCCCO 34a_100000696515_100000230001 [0,0,0,0,0,0|3,0,0]=3 1251 B11R0.148 NC(=O)CCCCOCCCF 34a_100012022536_100011934791 [0,0,0,0,0,0|3,0,0]=3 1252 B11R0.148 NC(=O)CCCCOCCCF 7a_100012022536_100011934791 [0,0,0,0,0,0|3,0,0]=3 1253 B11R0.148 NC(=O)CCCCOCCCO 34a_100012022536_100000230001 [0,0,0,0,0,0|3,0,0]=3 1254 B11R0.148 NC(=O)CCCCOCCCO 7a_100012022536_100011215043 [0,0,0,0,0,0|3,0,0]=3 1255 B11R0.148 NC(=O)CCCNCCCCF 34a_100000739312_100000729493 [0,0,0,0,0,0|3,0,0]=3 1256 B11R0.148 NC(=O)CCCNCCCCO 34a_100000739312_100011216708 [0,0,0,0,0,0|3,0,0]=3 1257 B11R0.148 NC(=O)CCCNCCCCO 34a_100000750430_100102525003 [0,0,0,0,0,0|3,0,0]=3 1258 B11R0.148 NC(=O)CCCOCCCCBr 34a_100011216708_100102525003 [0,0,0,0,0,0|3,0,0]=3 1259 B11R0.148 NC(=O)CCCOCCCCCl 34a_100000210776_100102525003 [0,0,0,0,0,0|3,0,0]=3 1260 B11R0.148 NC(=O)CCCOCCCCCl 7a_100000210776_100102525003 [0,0,0,0,0,0|3,0,0]=3 1261 B11R0.148 NC(=O)CCCOCCCCF 34a_100011995726_100102525003 [0,0,0,0,0,0|3,0,0]=3 1262 B11R0.148 NC(=O)CCCOCCCCF 7a_100011995726_100102525003 [0,0,0,0,0,0|3,0,0]=3 1263 B11R0.148 NC(=O)CCCOCCCCI 34a_200012148704_100102525003 [0,0,0,0,0,0|3,0,0]=3 1264 B11R0.148 NC(=O)CCCSCCCC=O 62a_100102525003_200011292268 [0,0,0,0,0,0|3,0,1]=4 1265 B11R0.148 NC(=O)CCCSCCCC=O 62a_200011292268_100102525003 [0,0,0,0,0,0|3,0,1]=4 1266 B11R0.148 NC(=O)CCCSCCCCF 62a_100000729493_100102525003 [0,0,0,0,0,0|3,0,0]=3 1267 B11R0.148 NC(=O)CCCSCCCCF 62a_100102525003_100000729493 [0,0,0,0,0,0|3,0,0]=3 1268 B11R0.148 NC(=O)CCCSCCCCO 62a_100000210776_100102525003 [0,0,0,0,0,0|3,0,0]=3 1269 B11R0.148 NC(=O)CCCSCCCCO 62a_100102525003_100000210776 [0,0,0,0,0,0|3,0,0]=3 1270 B11R0.148 NC(=O)CCNCCCCCO 2230a_100000762737_100000744528 [0,0,0,0,0,0|3,0,0]=3 1271 B11R0.148 NC(=O)CCNCCCCCO 34a_100000762737_100000731001 [0,0,0,0,0,0|3,0,0]=3 1272 B11R0.148 NC(=O)CCNCCOCCO 2230a_100000211614_100000744528 [0,0,0,0,0,0|4,0,0]=4 1273 B11R0.148 NC(=O)CCNCCOCCO 34a_100000211614_100000731001 [0,0,0,0,0,0|4,0,0]=4 1274 B11R0.148 NC(=O)CCNCCSCCO 2230a_100011219999_100000744528 [0,0,0,0,0,0|4,0,0]=4 1275 B11R0.148 NC(=O)CCOCCCCC=O 7a_100000757172_100000139335 [0,0,0,0,0,0|3,0,1]=4 1276 B11R0.148 NC(=O)CCOCCCCCBr 34a_100000746331_100000731001 [0,0,0,0,0,0|3,0,0]=3 1277 B11R0.148 NC(=O)CCOCCCCCBr 7a_100000746331_100000744528 [0,0,0,0,0,0|3,0,0]=3 1278 B11R0.148 NC(=O)CCOCCCCCCl 34a_100000746330_100000731001 [0,0,0,0,0,0|3,0,0]=3 1279 B11R0.148 NC(=O)CCOCCCCCCl 7a_100000746330_100000744528 [0,0,0,0,0,0|3,0,0]=3 1280 B11R0.148 NC(=O)CCOCCCCCF 34a_100000757172_100000729378 [0,0,0,0,0,0|3,0,0]=3 1281 B11R0.148 NC(=O)CCOCCCCCF 7a_100000757172_100000729378 [0,0,0,0,0,0|3,0,0]=3 1282 B11R0.148 NC(=O)CCOCCCCCI 34a_200012148887_100000731001 [0,0,0,0,0,0|3,0,0]=3 1283 B11R0.148 NC(=O)CCOCCCCCI 7a_200012148887_100000744528 [0,0,0,0,0,0|3,0,0]=3 1284 B11R0.148 NC(=O)CCOCCCCCO 34a_100000757172_100000746330 [0,0,0,0,0,0|3,0,0]=3 1285 B11R0.148 NC(=O)CCOCCCCCO 7a_100000757172_100000746330 [0,0,0,0,0,0|3,0,0]=3 1286 B11R0.148 NC(=O)CCOCCOCCBr 34a_100000692535_100000731001 [0,0,0,0,0,0|4,0,0]=4 1287 B11R0.148 NC(=O)CCOCCOCCBr 7a_100000692535_100000744528 [0,0,0,0,0,0|4,0,0]=4 1288 B11R0.148 NC(=O)CCOCCOCCCl 34a_100011215305_100000731001 [0,0,0,0,0,0|4,0,0]=4 1289 B11R0.148 NC(=O)CCOCCOCCCl 7a_100011215305_100000744528 [0,0,0,0,0,0|4,0,0]=4 1290 B11R0.148 NC(=O)CCOCCOCCF 34a_200015357709_100000731001 [0,0,0,0,0,0|4,0,0]=4 1291 B11R0.148 NC(=O)CCOCCOCCF 7a_200015357709_100000744528 [0,0,0,0,0,0|4,0,0]=4 1292 B11R0.148 NC(=O)CCOCCOCCI 34a_100012149058_100000731001 [0,0,0,0,0,0|4,0,0]=4 1293 B11R0.148 NC(=O)CCOCCOCCI 7a_100012149058_100000744528 [0,0,0,0,0,0|4,0,0]=4 1294 B11R0.148 NC(=O)CCOCCOCCO 34a_100000757172_100000692535 [0,0,0,0,0,0|4,0,0]=4 1295 B11R0.148 NC(=O)CCOCCOCCO 7a_100000757172_100011215305 [0,0,0,0,0,0|4,0,0]=4 1296 B11R0.148 NC(=O)CCSCCCCC=O 62a_100000139335_100000744528 [0,0,0,0,0,0|3,0,1]=4 1297 B11R0.148 NC(=O)CCSCCCCC=O 62a_100000744528_100000139335 [0,0,0,0,0,0|3,0,1]=4 1298 B11R0.148 NC(=O)CCSCCCCCF 62a_100000729378_100000744528 [0,0,0,0,0,0|3,0,0]=3 1299 B11R0.148 NC(=O)CCSCCCCCF 62a_100000744528_100000729378 [0,0,0,0,0,0|3,0,0]=3 1300 B11R0.148 NC(=O)CCSCCCCCO 62a_100000744528_100000746330 [0,0,0,0,0,0|3,0,0]=3 1301 B11R0.148 NC(=O)CCSCCCCCO 62a_100000746330_100000744528 [0,0,0,0,0,0|3,0,0]=3 1302 B11R0.148 NC(=O)CCSCCOCCO 62a_100000744528_100011215305 [0,0,0,0,0,0|4,0,0]=4 1303 B11R0.148 NC(=O)CCSCCOCCO 62a_100011215305_100000744528 [0,0,0,0,0,0|4,0,0]=4 1304 B11R0.148 NC(=O)CNCCCCCC=O 2230a_100000711301_100000139337 [0,0,0,0,0,0|3,0,1]=4 1305 B11R0.148 NC(=O)CNCCCCCCF 2230a_100000711301_100015922095 [0,0,0,0,0,0|3,0,0]=3 1306 B11R0.148 NC(=O)CNCCCCCCO 2230a_100000686447_100000747473 [0,0,0,0,0,0|3,0,0]=3 1307 B11R0.148 NC(=O)CNCCCCCCO 2230a_100000711301_100000766143 [0,0,0,0,0,0|3,0,0]=3 1308 B11R0.148 NC(=O)CNCCCCCCO 34a_100000686447_100000187820 [0,0,0,0,0,0|3,0,0]=3 1309 B11R0.148 NC(=O)COCCCCCCBr 34a_100011215345_100000187820 [0,0,0,0,0,0|3,0,0]=3 1310 B11R0.148 NC(=O)COCCCCCCBr 7a_100011215345_100000187820 [0,0,0,0,0,0|3,0,0]=3 1311 B11R0.148 NC(=O)COCCCCCCCl 34a_100000766143_100000187820 [0,0,0,0,0,0|3,0,0]=3 1312 B11R0.148 NC(=O)COCCCCCCCl 7a_100000766143_100000187820 [0,0,0,0,0,0|3,0,0]=3 1313 B11R0.148 NC(=O)COCCCCCCF 34a_100000732779_100000187820 [0,0,0,0,0,0|3,0,0]=3 1314 B11R0.148 NC(=O)COCCCCCCF 7a_100000732779_100000187820 [0,0,0,0,0,0|3,0,0]=3 1315 B11R0.148 NC(=O)COCCNCCCF 2230a_100015189416_100000076697 [0,0,0,0,0,0|4,0,0]=4 1316 B11R0.148 NC(=O)COCCNCCCF 34a_100015189416_100000076697 [0,0,0,0,0,0|4,0,0]=4 1317 B11R0.148 NC(=O)COCCOCCCBr 34a_100011217188_100000076697 [0,0,0,0,0,0|4,0,0]=4 1318 B11R0.148 NC(=O)COCCOCCCCl 34a_100000230001_100000076697 [0,0,0,0,0,0|4,0,0]=4 1319 B11R0.148 NC(=O)COCCOCCCF 34a_100000759539_100000076697 [0,0,0,0,0,0|4,0,0]=4 1320 B11R0.148 NC(=O)COCCSCCCF 62a_100000076697_100011934791 [0,0,0,0,0,0|4,0,0]=4 1321 B11R0.148 NC(=O)COCCSCCCF 62a_100011934791_100000076697 [0,0,0,0,0,0|4,0,0]=4 1322 B11R0.148 NC(=O)COCCSCCCO 62a_100000076697_100011215043 [0,0,0,0,0,0|4,0,0]=4 1323 B11R0.148 NC(=O)COCCSCCCO 62a_100011215043_100000076697 [0,0,0,0,0,0|4,0,0]=4 1324 B11R0.148 NC(=O)CSCCCCCC=O 62a_100000139337_100000747473 [0,0,0,0,0,0|3,0,1]=4 1325 B11R0.148 NC(=O)CSCCCCCC=O 62a_100000747473_100000139337 [0,0,0,0,0,0|3,0,1]=4 1326 B11R0.148 NC(=O)CSCCCCCCF 62a_100000747473_100015922095 [0,0,0,0,0,0|3,0,0]=3 1327 B11R0.148 NC(=O)CSCCCCCCF 62a_100015922095_100000747473 [0,0,0,0,0,0|3,0,0]=3 1328 B11R0.148 NC(=O)CSCCCCCCO 62a_100000747473_100000766143 [0,0,0,0,0,0|3,0,0]=3 1329 B11R0.148 NC(=O)CSCCCCCCO 62a_100000766143_100000747473 [0,0,0,0,0,0|3,0,0]=3 1330 B11R0.148 NC(=O)NCCNCCCCF 34a_100020590234_100000729493 [0,0,0,0,0,0|4,0,0]=4 1331 B11R0.148 NC(=O)NCCNCCCCO 2230a_100000750430_200000034859 [0,0,0,0,0,0|4,0,0]=4 1332 B11R0.148 NC(=O)NCCNCCCCO 34a_100020590234_100011216708 [0,0,0,0,0,0|4,0,0]=4 1333 B11R0.148 NC(=O)NCCOCCCCCl 7a_100000210776_200000034859 [0,0,0,0,0,0|4,0,0]=4 1334 B11R0.148 NC(=O)NCCOCCCCF 34a_100000181757_100000729493 [0,0,0,0,0,0|4,0,0]=4 1335 B11R0.148 NC(=O)NCCOCCCCF 7a_100011995726_200000034859 [0,0,0,0,0,0|4,0,0]=4 1336 B11R0.148 NC(=O)NCCOCCCCO 34a_100000181757_100011216708 [0,0,0,0,0,0|4,0,0]=4 1337 B11R0.148 NC(=O)NCCSCCCCF 62a_100000729493_200000034859 [0,0,0,0,0,0|4,0,0]=4 1338 B11R0.148 NC(=O)NCCSCCCCF 62a_200000034859_100000729493 [0,0,0,0,0,0|4,0,0]=4 1339 B11R0.148 NC(=O)NCCSCCCCO 62a_100000210776_200000034859 [0,0,0,0,0,0|4,0,0]=4 1340 B11R0.148 NC(=O)NCCSCCCCO 62a_200000034859_100000210776 [0,0,0,0,0,0|4,0,0]=4 1341 B11R0.148 NC(=O)OCCNCCCCO 34a_100000750430_200011214921 [0,0,0,0,0,0|4,0,0]=4 1342 B11R0.148 NC(=O)OCCOCCCCBr 34a_100011216708_200011214921 [0,0,0,0,0,0|4,0,0]=4 1343 B11R0.148 NC(=O)OCCOCCCCCl 34a_100000210776_200011214921 [0,0,0,0,0,0|4,0,0]=4 1344 B11R0.148 NC(=O)OCCOCCCCCl 7a_100000210776_200011214921 [0,0,0,0,0,0|4,0,0]=4 1345 B11R0.148 NC(=O)OCCOCCCCF 34a_100011995726_200011214921 [0,0,0,0,0,0|4,0,0]=4 1346 B11R0.148 NC(=O)OCCOCCCCF 7a_100000766696_100000729493 [0,0,0,0,0,0|4,0,0]=4 1347 B11R0.148 NC(=O)OCCOCCCCF 7a_100011995726_200011214921 [0,0,0,0,0,0|4,0,0]=4 1348 B11R0.148 NC(=O)OCCOCCCCI 34a_200012148704_200011214921 [0,0,0,0,0,0|4,0,0]=4 1349 B11R0.148 NC(=O)OCCOCCCCO 7a_100000766696_100000210776 [0,0,0,0,0,0|4,0,0]=4 1350 B11R0.148 NC(=O)OCCSCCCCF 62a_100000729493_200011214921 [0,0,0,0,0,0|4,0,0]=4 1351 B11R0.148 NC(=O)OCCSCCCCF 62a_200011214921_100000729493 [0,0,0,0,0,0|4,0,0]=4 1352 B11R0.148 NC(=O)OCCSCCCCO 62a_100000210776_200011214921 [0,0,0,0,0,0|4,0,0]=4 1353 B11R0.148 NC(=O)OCCSCCCCO 62a_200011214921_100000210776 [0,0,0,0,0,0|4,0,0]=4 1354 B11R0.148 NCCCCCCOCC(=O)N 34a_100000686447_100000187820 [0,0,0,0,0,0|3,0,0]=3 1355 B11R0.148 NCCCCCCOCC(=O)[O-] 34a_100000686447_100020667443 [0,0,0,0,0,0|2,0,1]=3 1356 B11R0.148 NCCCCCCOC[N+](=O)[O-] 34a_100000686447_100000761209 [0,0,0,0,0,0|3,0,1]=4 1357 B11R0.148 NCCCCCOCCC(=O)N 34a_100000762737_100000731001 [0,0,0,0,0,0|3,0,0]=3 1358 B11R0.148 NCCCCOCCCC(=O)N 34a_100000750430_100102525003 [0,0,0,0,0,0|3,0,0]=3 1359 B11R0.148 NCCCCOCCOC(=O)N 34a_100000750430_200011214921 [0,0,0,0,0,0|4,0,0]=4 1360 B11R0.148 NCCCOCCCCB(O)O 34a_100000182051_200009817182 [0,0,0,0,0,0|3,0,1]=4 1361 B11R0.148 NCCCOCCOCC(=O)N 34a_100000182051_100000076697 [0,0,0,0,0,0|4,0,0]=4 1362 B11R0.148 NCCOCCCCCB(O)O 34a_100000210304_200009817188 [0,0,0,0,0,0|3,0,1]=4 1363 B11R0.148 NCCOCCCCCC(=O)N 34a_100000210304_100009817443 [0,0,0,0,0,0|3,0,0]=3 1364 B11R0.148 NCCOCCOCCC(=O)N 34a_100000211614_100000731001 [0,0,0,0,0,0|4,0,0]=4 1365 B11R0.148 O=C(O)CNCCCCCCF 269956a_100016091260_100015922095 [0,0,0,0,0,0|2,0,0]=2 1366 B11R0.148 O=C(O)CNCCCCCCO 269956a_100016091260_100000766143 [0,0,0,0,0,0|2,0,0]=2 1367 B11R0.148 O=C(O)COCCNCCCF 269956a_100000700818_100011934791 [0,0,0,0,0,0|3,0,0]=3 1368 B11R0.148 O=C(O)COCCNCCCO 269956a_100000700818_100011215043 [0,0,0,0,0,0|3,0,0]=3 1369 B11R0.148 O=C(O)CONCCCCCF 269956a_100000106656_100000729378 [0,0,0,0,0,0|3,0,0]=3 1370 B11R0.148 O=C(O)CONCCCCCO 269956a_100000106656_100000746330 [0,0,0,0,0,0|3,0,0]=3 1371 B11R0.148 O=C(O)CONCCOCCO 269956a_100000106656_100011215305 [0,0,0,0,0,0|4,0,0]=4 1372 B11R0.148 O=C([O-])CCCCCOCCF 7a_100102619762_100011217306 [0,0,0,0,0,0|2,0,1]=3 1373 B11R0.148 O=C([O-])CCCCCOCCO 7a_100102619762_100000211926 [0,0,0,0,0,0|2,0,1]=3 1374 B11R0.148 O=C([O-])CNCCCCCCO 34a_100000686447_100020667443 [0,0,0,0,0,0|2,0,1]=3 1375 B11R0.148 O=C([O-])COCCCCCCBr 34a_100011215345_100020667443 [0,0,0,0,0,0|2,0,1]=3 1376 B11R0.148 O=C([O-])COCCCCCCCl 34a_100000766143_100020667443 [0,0,0,0,0,0|2,0,1]=3 1377 B11R0.148 O=C([O-])COCCCCCCF 34a_100000732779_100020667443 [0,0,0,0,0,0|2,0,1]=3 1378 B11R0.148 O=C([O-])CSCCCCCCF 62a_100015922095_100020667443 [0,0,0,0,0,0|2,0,1]=3 1379 B11R0.148 O=C([O-])CSCCCCCCF 62a_100020667443_100015922095 [0,0,0,0,0,0|2,0,1]=3 1380 B11R0.148 O=C([O-])CSCCCCCCO 62a_100000766143_100020667443 [0,0,0,0,0,0|2,0,1]=3 1381 B11R0.148 O=C([O-])CSCCCCCCO 62a_100020667443_100000766143 [0,0,0,0,0,0|2,0,1]=3 1382 B11R0.148 O=CCCCCCNCC(=O)O 269956a_100016091260_100000139337 [0,0,0,0,0,0|2,0,1]=3 1383 B11R0.148 O=CCCCCCSCC(=O)[O-] 62a_100000139337_100020667443 [0,0,0,0,0,0|2,0,2]=4 1384 B11R0.148 O=CCCCCCSCC(=O)[O-] 62a_100020667443_100000139337 [0,0,0,0,0,0|2,0,2]=4 1385 B11R0.148 O=CCCCCNOCC(=O)O 269956a_100000106656_100000139335 [0,0,0,0,0,0|3,0,1]=4 1386 B11R0.148 O=CCOCCCCCC(=O)[O-] 7a_100102619762_200015260668 [0,0,0,0,0,0|2,0,2]=4 1387 B11R0.148 O=[N+]([O-])CCCCOCCCF 34a_200015379883_100011934791 [0,0,0,0,0,0|3,0,1]=4 1388 B11R0.148 O=[N+]([O-])CCCCOCCCF 7a_200015379883_100011934791 [0,0,0,0,0,0|3,0,1]=4 1389 B11R0.148 O=[N+]([O-])CCCCOCCCO 34a_200015379883_100000230001 [0,0,0,0,0,0|3,0,1]=4 1390 B11R0.148 O=[N+]([O-])CCCCOCCCO 7a_200015379883_100011215043 [0,0,0,0,0,0|3,0,1]=4 1391 B11R0.148 O=[N+]([O-])CCCOCCCCF 34a_200000037920_100000729493 [0,0,0,0,0,0|3,0,1]=4 1392 B11R0.148 O=[N+]([O-])CCCOCCCCO 34a_200000037920_100011216708 [0,0,0,0,0,0|3,0,1]=4 1393 B11R0.148 O=[N+]([O-])CNCCCCCCO 34a_100000686447_100000761209 [0,0,0,0,0,0|3,0,1]=4 1394 B11R0.148 O=[N+]([O-])COCCCCCCBr 34a_100011215345_100000761209 [0,0,0,0,0,0|3,0,1]=4 1395 B11R0.148 O=[N+]([O-])COCCCCCCCl 34a_100000766143_100000761209 [0,0,0,0,0,0|3,0,1]=4 1396 B11R0.148 O=[N+]([O-])COCCCCCCF 34a_100000732779_100000761209 [0,0,0,0,0,0|3,0,1]=4 1397 B11R0.148 O=[N+]([O-])CSCCCCCCF 62a_100015922095_100000761209 [0,0,0,0,0,0|3,0,1]=4 1398 B11R0.148 O=[N+]([O-])CSCCCCCCO 62a_100000766143_100000761209 [0,0,0,0,0,0|3,0,1]=4 1399 B11R0.148 OB(O)CCCCCCSCF 62a_100009817187_100015361967 [0,0,0,0,0,0|3,0,1]=4 1400 B11R0.148 OB(O)CCCCCCSCF 62a_100015361967_100009817187 [0,0,0,0,0,0|3,0,1]=4 1401 B11R0.148 OB(O)CCCCCNCCF 34a_100000724931_200009817188 [0,0,0,0,0,0|3,0,1]=4 1402 B11R0.148 OB(O)CCCCCOCCBr 34a_100000211926_200009817188 [0,0,0,0,0,0|3,0,1]=4 1403 B11R0.148 OB(O)CCCCCSCCF 62a_100011217306_200009817188 [0,0,0,0,0,0|3,0,1]=4 1404 B11R0.148 OB(O)CCCCCSCCF 62a_200009817188_100011217306 [0,0,0,0,0,0|3,0,1]=4 1405 B11R0.148 OB(O)CCCCNCCCF 2230a_100015189416_200009817182 [0,0,0,0,0,0|3,0,1]=4 1406 B11R0.148 OB(O)CCCCNCCCF 34a_100015189416_200009817182 [0,0,0,0,0,0|3,0,1]=4 1407 B11R0.148 OB(O)CCCCOCCCBr 34a_100011217188_200009817182 [0,0,0,0,0,0|3,0,1]=4 1408 B11R0.148 OB(O)CCCCOCCCCl 34a_100000230001_200009817182 [0,0,0,0,0,0|3,0,1]=4 1409 B11R0.148 OB(O)CCCCOCCCF 34a_100000759539_200009817182 [0,0,0,0,0,0|3,0,1]=4 1410 B11R0.148 OB(O)CCCCSCCCF 62a_100011934791_200009817182 [0,0,0,0,0,0|3,0,1]=4 1411 B11R0.148 OB(O)CCCCSCCCF 62a_200009817182_100011934791 [0,0,0,0,0,0|3,0,1]=4 1412 B11R0.148 OCCCSCCCCB(O)O 62a_100011215043_200009817182 [0,0,0,0,0,0|3,0,1]=4 1413 B11R0.148 OCCCSCCCCB(O)O 62a_200009817182_100011215043 [0,0,0,0,0,0|3,0,1]=4 1414 B11R0.148 OCCNCCCCCB(O)O 2230a_100016997473_200009817188 [0,0,0,0,0,0|3,0,1]=4 1415 B11R0.148 OCCNCCCCCB(O)O 34a_100016990907_200009817188 [0,0,0,0,0,0|3,0,1]=4 1416 B11R0.148 OCCSCCCCCB(O)O 62a_100000211926_200009817188 [0,0,0,0,0,0|3,0,1]=4 1417 B11R0.148 OCCSCCCCCB(O)O 62a_200009817188_100000211926 [0,0,0,0,0,0|3,0,1]=4 1418 B11R0.148 [13CH3]C(=O)CCOCCOCCO 1458a_100009915118_200025704644 [0,0,0,0,0,0|4,0,0]=4 1419 B11R0.148 [13CH3]NCCOCCOCC(=O)O 269956a_100009854275_200025704644 [0,0,0,0,0,0|3,0,0]=3 1420 B10R0.4 C#CCCCCCCC(=O)C 1458a_100000034748_200000210301 [1,0,0,0,0,0|1,0,2]=4 1421 B10R0.4 C#CCCCCCCC(=O)C 1458a_100000070787_100012276617 [1,0,0,0,0,0|1,0,2]=4 1422 B10R0.4 C#CCCCCCCC(=O)[13CH3] 1458a_100000034748_200025704644 [1,0,0,0,0,0|1,0,2]=4 1423 B10R0.4 C#CCCCCNCC(=O)O 269956a_100016091260_100010269958 [1,0,0,0,0,0|1,0,2]=4 1424 B10R0.4 C=C(Br)CCOCCCCC 34a_100009813270_100000718602 [1,0,0,0,0,0|3,0,0]=4 1425 B10R0.4 C=C(C)CCNCCCCC 2230a_100000209983_100000730704 [1,0,0,0,0,0|3,0,0]=4 1426 B10R0.4 C=C(C)CCOCCCCC 34a_100000210253_100000730704 [1,0,0,0,0,0|3,0,0]=4 1427 B10R0.4 C=C(C)CCOCCCCC 34a_100000764851_100000718602 [1,0,0,0,0,0|3,0,0]=4 1428 B10R0.4 C=C(C)CCOCCCCC 7a_100000210253_100000730704 [1,0,0,0,0,0|3,0,0]=4 1429 B10R0.4 C=C(C)CCSCCCCC 62a_100000210326_100000730704 [1,0,0,0,0,0|3,0,0]=4 1430 B10R0.4 C=C(C)CCSCCCCC 62a_100000730704_100000210326 [1,0,0,0,0,0|3,0,0]=4 1431 B10R0.4 C=C(C)CNCCCCCC 2230a_100000210581_100000748629 [1,0,0,0,0,0|3,0,0]=4 1432 B10R0.4 C=C(C)COCCCCCC 34a_100000210245_100000210314 [1,0,0,0,0,0|3,0,0]=4 1433 B10R0.4 C=C(C)COCCCCCC 34a_100000210259_100000748629 [1,0,0,0,0,0|3,0,0]=4 1434 B10R0.4 C=C(C)COCCCCCC 7a_100000210259_100000748629 [1,0,0,0,0,0|3,0,0]=4 1435 B10R0.4 C=C(C)CSCCCCCC 62a_100000210314_100000211660 [1,0,0,0,0,0|3,0,0]=4 1436 B10R0.4 C=C(C)CSCCCCCC 62a_100000748629_100000210757 [1,0,0,0,0,0|3,0,0]=4 1437 B10R0.4 C=C(F)CNCCCCCC 2230a_100000210581_100009893438 [1,0,0,0,0,0|3,0,0]=4 1438 B10R0.4 C=C(F)COCCCCCC 34a_100000210259_100009893438 [1,0,0,0,0,0|3,0,0]=4 1439 B10R0.4 C=C(F)COCCCCCC 34a_200010262243_100000210314 [1,0,0,0,0,0|3,0,0]=4 1440 B10R0.4 C=C(F)COCCCCCC 7a_100000210259_100000042424 [1,0,0,0,0,0|3,0,0]=4 1441 B10R0.4 C=C(F)CSCCCCCC 62a_100000042424_100000210757 [1,0,0,0,0,0|3,0,0]=4 1442 B10R0.4 C=C(F)CSCCCCCC 62a_100000210314_100000042424 [1,0,0,0,0,0|3,0,0]=4 1443 B10R0.4 C=CCCCCCCC(=O)C 1458a_100000070787_100011215473 [1,0,0,0,0,0|1,0,2]=4 1444 B10R0.4 C=CCCCCCCC(=O)C 1458a_100011809334_200000210301 [1,0,0,0,0,0|1,0,2]=4 1445 B10R0.4 C=CCCCCCCC(=O)[13CH3] 1458a_100011809334_200025704644 [1,0,0,0,0,0|1,0,2]=4 1446 B10R0.4 C=CCCCCNCC(=O)O 269956a_100016091260_100011215482 [1,0,0,0,0,0|1,0,2]=4 1447 B10R0.4 CC(=O)CCCCCCC#N 1458a_100000070787_100009813337 [1,0,0,0,0,0|2,0,1]=4 1448 B10R0.4 CC(=O)CCCCCCCO 1458a_100000070787_100000760002 [1,0,0,0,0,0|2,0,0]=3 1449 B10R0.4 CC(=O)CCCCCCCO 1458a_100011219782_200000210301 [1,0,0,0,0,0|2,0,0]=3 1450 B10R0.4 CC(=O)CCCCNCCF 34a_100000724931_100009817362 [1,0,0,0,0,0|3,0,0]=4 1451 B10R0.4 CC(=O)CCCCNCCO 34a_100016990907_100009817362 [1,0,0,0,0,0|3,0,0]=4 1452 B10R0.4 CC(=O)CCCCOCCBr 34a_100000211926_100009817362 [1,0,0,0,0,0|3,0,0]=4 1453 B10R0.4 CC(=O)CCCCOCCN 34a_100000210304_100009817362 [1,0,0,0,0,0|3,0,0]=4 1454 B10R0.4 CC(=O)CCCCSCCF 62a_100000735457_100011217306 [1,0,0,0,0,0|3,0,0]=4 1455 B10R0.4 CC(=O)CCCCSCCF 62a_100011217306_100000735457 [1,0,0,0,0,0|3,0,0]=4 1456 B10R0.4 CC(=O)CCCCSCCO 62a_100000211926_100000735457 [1,0,0,0,0,0|3,0,0]=4 1457 B10R0.4 CC(=O)CCCCSCCO 62a_100000735457_100000211926 [1,0,0,0,0,0|3,0,0]=4 1458 B10R0.4 CC(=O)CCCNCCCF 34a_100015189416_100000685027 [1,0,0,0,0,0|3,0,0]=4 1459 B10R0.4 CC(=O)CCCOCCCBr 34a_100011217188_100000685027 [1,0,0,0,0,0|3,0,0]=4 1460 B10R0.4 CC(=O)CCCOCCCCl 34a_100000230001_100000685027 [1,0,0,0,0,0|3,0,0]=4 1461 B10R0.4 CC(=O)CCCOCCCF 34a_100000759063_100011934791 [1,0,0,0,0,0|3,0,0]=4 1462 B10R0.4 CC(=O)CCCOCCCF 34a_100000759539_100000685027 [1,0,0,0,0,0|3,0,0]=4 1463 B10R0.4 CC(=O)CCCOCCCF 7a_100000759063_100011934791 [1,0,0,0,0,0|3,0,0]=4 1464 B10R0.4 CC(=O)CCCOCCCN 34a_100000182051_100000685027 [1,0,0,0,0,0|3,0,0]=4 1465 B10R0.4 CC(=O)CCCOCCCO 34a_100000759063_100000230001 [1,0,0,0,0,0|3,0,0]=4 1466 B10R0.4 CC(=O)CCCOCCCO 7a_100000759063_100011215043 [1,0,0,0,0,0|3,0,0]=4 1467 B10R0.4 CC(=O)CCCSCCCF 62a_100011215641_100011934791 [1,0,0,0,0,0|3,0,0]=4 1468 B10R0.4 CC(=O)CCCSCCCF 62a_100011934791_100011215641 [1,0,0,0,0,0|3,0,0]=4 1469 B10R0.4 CC(=O)CCCSCCCO 62a_100011215043_100011215641 [1,0,0,0,0,0|3,0,0]=4 1470 B10R0.4 CC(=O)CCCSCCCO 62a_100011215641_100011215043 [1,0,0,0,0,0|3,0,0]=4 1471 B10R0.4 CC(=O)CCOCCCCCl 7a_100000210776_100000053229 [1,0,0,0,0,0|3,0,0]=4 1472 B10R0.4 CC(=O)CCOCCCCF 34a_100000759926_100000729493 [1,0,0,0,0,0|3,0,0]=4 1473 B10R0.4 CC(=O)CCOCCCCF 7a_100000759926_100000729493 [1,0,0,0,0,0|3,0,0]=4 1474 B10R0.4 CC(=O)CCOCCCCF 7a_100011995726_100000053229 [1,0,0,0,0,0|3,0,0]=4 1475 B10R0.4 CC(=O)CCOCCCCO 34a_100000759926_100011216708 [1,0,0,0,0,0|3,0,0]=4 1476 B10R0.4 CC(=O)CCOCCCCO 7a_100000759926_100000210776 [1,0,0,0,0,0|3,0,0]=4 1477 B10R0.4 CC(=O)CCSCCCCF 62a_100000053229_100000729493 [1,0,0,0,0,0|3,0,0]=4 1478 B10R0.4 CC(=O)CCSCCCCF 62a_100000729493_100000053229 [1,0,0,0,0,0|3,0,0]=4 1479 B10R0.4 CC(=O)CCSCCCCO 62a_100000053229_100000210776 [1,0,0,0,0,0|3,0,0]=4 1480 B10R0.4 CC(=O)CCSCCCCO 62a_100000210776_100000053229 [1,0,0,0,0,0|3,0,0]=4 1481 B10R0.4 CC(=O)COCCCCCF 34a_100000211253_100000729378 [1,0,0,0,0,0|3,0,0]=4 1482 B10R0.4 CC(=O)COCCCCCO 34a_100000211253_100000746330 [1,0,0,0,0,0|3,0,0]=4 1483 B10R0.4 CC(=O)NCCCCCCO 240690a_100000686447_100015343762 [1,0,0,0,0,0|3,0,0]=4 1484 B10R0.4 CC(=O)NCCCCCCO 527a_100000686447_100103153847 [1,0,0,0,0,0|3,0,0]=4 1485 B10R0.4 CC(=O)NCCCCCN[13CH3] 2230a_200012022750_200025704644 [1,0,0,0,0,0|3,0,0]=4 1486 B10R0.4 CC(=O)NCCCCCN[13CH3] 34a_200012022750_200025704644 [1,0,0,0,0,0|3,0,0]=4 1487 B10R0.4 CC(=O)OCCCCCS[13CH3] 62a_100000033007_200025704644 [1,0,0,0,0,0|3,0,0]=4 1488 B10R0.4 CC(=O)OCCCCCS[13CH3] 62a_200025704644_100000033007 [1,0,0,0,0,0|3,0,0]=4 1489 B10R0.4 CC/C=C\CCNCC(=O)O 269956a_100016091260_100015370543 [1,0,0,0,0,0|1,0,2]=4 1490 B10R0.4 CCCCC/C=C/CC(=O)C 1458a_100020675968_200000210301 [1,0,0,0,0,0|1,0,2]=4 1491 B10R0.4 CCCCC/C=C/CC(=O)[13CH3] 1458a_100020675968_200025704644 [1,0,0,0,0,0|1,0,2]=4 1492 B10R0.4 CCCCCC#CCC(=O)C 1458a_100000070787_100009816472 [1,0,0,0,0,0|1,0,2]=4 1493 B10R0.4 CCCCCCC=CC(=O)C 1458a_200015324643_200000210301 [1,0,0,0,0,0|1,0,2]=4 1494 B10R0.4 CCCCCCC=CC(=O)[13CH3] 1458a_200015324643_200025704644 [1,0,0,0,0,0|1,0,2]=4 1495 B10R0.4 CCCCCCCCC(=O)C 1458a_100000070787_100000210759 [1,0,0,0,0,0|1,0,0]=2 1496 B10R0.4 CCCCCCCCC(=O)C 1458a_100000210188_200000210301 [1,0,0,0,0,0|1,0,0]=2 1497 B10R0.4 CCCCCCCCC(=O)[13CH3] 1458a_100000210188_200025704644 [1,0,0,0,0,0|1,0,0]=2 1498 B10R0.4 CCCCCCCCN(C)C 2230a_100000207567_200000210301 [1,0,0,0,0,0|3,0,0]=4 1499 B10R0.4 CCCCCCCCN(C)C 2230a_100102631434_100000210759 [1,0,0,0,0,0|3,0,0]=4 1500 B10R0.4 CCCCCCCCN(C)C 269982a_100000207567_200000210301 [1,0,0,0,0,0|3,0,0]=4 1501 B10R0.4 CCCCCCCCN(C)C 269982a_100102631434_100000210759 [1,0,0,0,0,0|3,0,0]=4 1502 B10R0.4 CCCCCCCCN(C)[13CH3] 2230a_100000207567_200025704644 [1,0,0,0,0,0|3,0,0]=4 1503 B10R0.4 CCCCCCCCN(C)[13CH3] 269982a_100000207567_200025704644 [1,0,0,0,0,0|3,0,0]=4 1504 B10R0.4 CCCCCCCNC(=O)C 11a_100000229938_100015343762 [1,0,0,0,0,0|2,0,0]=3 1505 B10R0.4 CCCCCCCNC(=O)C 1626a_100000229938_100015343762 [1,0,0,0,0,0|2,0,0]=3 1506 B10R0.4 CCCCCCCNC(=O)C 240690a_100000229938_100015343762 [1,0,0,0,0,0|2,0,0]=3 1507 B10R0.4 CCCCCCCNC(=O)C 527a_100000229938_100103153847 [1,0,0,0,0,0|2,0,0]=3 1508 B10R0.4 CCCCCCNCC(=O)N 2230a_100000210581_100000747473 [1,0,0,0,0,0|2,0,0]=3 1509 B10R0.4 CCCCCCNCC(=O)N 2230a_100000711301_100000210314 [1,0,0,0,0,0|2,0,0]=3 1510 B10R0.4 CCCCCCNCC(=O)O 269956a_100016091260_100000210757 [1,0,0,0,0,0|1,0,0]=2 1511 B10R0.4 CCCCCCNCC(C)O 2230a_100000210581_100011218427 [1,0,0,0,0,0|2,0,1]=4 1512 B10R0.4 CCCCCCNCC(C)O 2230a_100000210904_100000210314 [1,0,0,0,0,0|2,0,1]=4 1513 B10R0.4 CCCCCCNCC(C)O 34a_100000210904_100000210314 [1,0,0,0,0,0|2,0,1]=4 1514 B10R0.4 CCCCCCNC[C@@H](C)O 2230a_100000210581_100009817552 [1,0,0,0,0,0|2,0,1]=4 1515 B10R0.4 CCCCCCOCC(=O)C 34a_100000211253_100000210314 [1,0,0,0,0,0|2,0,0]=3 1516 B10R0.4 CCCCCCOCC(=O)N 34a_100000210259_100000187820 [1,0,0,0,0,0|2,0,0]=3 1517 B10R0.4 CCCCCCOCC(=O)N 7a_100000210259_100000187820 [1,0,0,0,0,0|2,0,0]=3 1518 B10R0.4 CCCCCCOCC(=O)[O-] 34a_100000210259_100020667443 [1,0,0,0,0,0|1,0,1]=3 1519 B10R0.4 CCCCCCOCC(C)O 34a_100000210259_100011218427 [1,0,0,0,0,0|2,0,1]=4 1520 B10R0.4 CCCCCCOCC(C)O 7a_100000210259_100011218427 [1,0,0,0,0,0|2,0,1]=4 1521 B10R0.4 CCCCCCOC[C@@H](C)O 34a_100000210259_100009817552 [1,0,0,0,0,0|2,0,1]=4 1522 B10R0.4 CCCCCCOC[C@@H](C)O 7a_100000210259_100009817552 [1,0,0,0,0,0|2,0,1]=4 1523 B10R0.4 CCCCCCOC[N+](=O)[O-] 34a_100000210259_100000761209 [1,0,0,0,0,0|2,0,1]=4 1524 B10R0.4 CCCCCCSCC(=O)N 62a_100000210314_100000747473 [1,0,0,0,0,0|2,0,0]=3 1525 B10R0.4 CCCCCCSCC(=O)N 62a_100000747473_100000210757 [1,0,0,0,0,0|2,0,0]=3 1526 B10R0.4 CCCCCCSCC(=O)[O-] 62a_100000210314_100020667443 [1,0,0,0,0,0|1,0,1]=3 1527 B10R0.4 CCCCCCSCC(=O)[O-] 62a_100020667443_100000210757 [1,0,0,0,0,0|1,0,1]=3 1528 B10R0.4 CCCCCCSCC(C)O 62a_100000210314_100011218427 [1,0,0,0,0,0|2,0,1]=4 1529 B10R0.4 CCCCCCSCC(C)O 62a_100011218427_100000210757 [1,0,0,0,0,0|2,0,1]=4 1530 B10R0.4 CCCCCCSC[C@@H](C)O 62a_100000210314_100009817552 [1,0,0,0,0,0|2,0,1]=4 1531 B10R0.4 CCCCCCSC[C@@H](C)O 62a_100009817552_100000210757 [1,0,0,0,0,0|2,0,1]=4 1532 B10R0.4 CCCCCCSC[N+](=O)[O-] 62a_100000210314_100000761209 [1,0,0,0,0,0|2,0,1]=4 1533 B10R0.4 CCCCCNCCC(=O)N 2230a_100000209983_100000744528 [1,0,0,0,0,0|2,0,0]=3 1534 B10R0.4 CCCCCNCCC(C)O 2230a_100000209983_100012276601 [1,0,0,0,0,0|2,0,1]=4 1535 B10R0.4 CCCCCNCCC(C)O 2230a_200000755665_100000210326 [1,0,0,0,0,0|2,0,1]=4 1536 B10R0.4 CCCCCNOCC(=O)O 269956a_100000106656_100000210326 [1,0,0,0,0,0|2,0,0]=3 1537 B10R0.4 CCCCCOCCC(=O)C 34a_100000759926_100000718602 [1,0,0,0,0,0|2,0,0]=3 1538 B10R0.4 CCCCCOCCC(=O)C 7a_100000210253_100000053229 [1,0,0,0,0,0|2,0,0]=3 1539 B10R0.4 CCCCCOCCC(=O)C 7a_100000759926_100000210326 [1,0,0,0,0,0|2,0,0]=3 1540 B10R0.4 CCCCCOCCC(=O)N 34a_100000210253_100000731001 [1,0,0,0,0,0|2,0,0]=3 1541 B10R0.4 CCCCCOCCC(=O)N 34a_100000757172_100000718602 [1,0,0,0,0,0|2,0,0]=3 1542 B10R0.4 CCCCCOCCC(=O)N 7a_100000210253_100000744528 [1,0,0,0,0,0|2,0,0]=3 1543 B10R0.4 CCCCCOCCC(=O)N 7a_100000757172_100000210326 [1,0,0,0,0,0|2,0,0]=3 1544 B10R0.4 CCCCCOCCC(C)O 34a_100000210253_100012276601 [1,0,0,0,0,0|2,0,1]=4 1545 B10R0.4 CCCCCOCCC(C)O 7a_100000210253_100012276601 [1,0,0,0,0,0|2,0,1]=4 1546 B10R0.4 CCCCCOCOC(=O)C 34a_100000210253_100009813279 [1,0,0,0,0,0|3,0,0]=4 1547 B10R0.4 CCCCCSCCC(=O)C 62a_100000053229_100000210326 [1,0,0,0,0,0|2,0,0]=3 1548 B10R0.4 CCCCCSCCC(=O)C 62a_100000210326_100000053229 [1,0,0,0,0,0|2,0,0]=3 1549 B10R0.4 CCCCCSCCC(=O)N 62a_100000210326_100000744528 [1,0,0,0,0,0|2,0,0]=3 1550 B10R0.4 CCCCCSCCC(=O)N 62a_100000744528_100000210326 [1,0,0,0,0,0|2,0,0]=3 1551 B10R0.4 CCCCCSCCC(C)O 62a_100000210326_100012276601 [1,0,0,0,0,0|2,0,1]=4 1552 B10R0.4 CCCCCSCCC(C)O 62a_100012276601_100000210326 [1,0,0,0,0,0|2,0,1]=4 1553 B10R0.4 CCCCCSCOC(=O)C 62a_100000076356_100000210326 [1,0,0,0,0,0|3,0,0]=4 1554 B10R0.4 CCCCCSCOC(=O)C 62a_100000210326_100000076356 [1,0,0,0,0,0|3,0,0]=4 1555 B10R0.4 CCCCNCCCC(=O)C 7a_106832991798_100011215641 [1,0,0,0,0,0|2,0,0]=3 1556 B10R0.4 CCCCNCCCC(=O)N 34a_100000739312_100000210210 [1,0,0,0,0,0|2,0,0]=3 1557 B10R0.4 CCCCNCCCC(=O)N 7a_106832991798_100102525003 [1,0,0,0,0,0|2,0,0]=3 1558 B10R0.4 CCCCNCCCC(C)O 2230a_100000102301_200000718107 [1,0,0,0,0,0|2,0,1]=4 1559 B10R0.4 CCCCNCCCC(C)O 7a_106832991798_200000718107 [1,0,0,0,0,0|2,0,1]=4 1560 B10R0.4 CCCCNCCCS(=O)C 2230a_200000753449_100000210211 [1,0,0,0,0,0|3,0,0]=4 1561 B10R0.4 CCCCNCCNC(=O)C 2230a_100000102301_100000189650 [1,0,0,0,0,0|3,0,0]=4 1562 B10R0.4 CCCCNCCNC(=O)C 2230a_100000209853_100000210211 [1,0,0,0,0,0|3,0,0]=4 1563 B10R0.4 CCCCNCCNC(=O)C 7a_106832991798_100000189650 [1,0,0,0,0,0|3,0,0]=4 1564 B10R0.4 CCCCNCCNC(=O)N 2230a_100000102301_200000034859 [1,0,0,0,0,0|3,0,0]=4 1565 B10R0.4 CCCCNCCNC(=O)N 34a_100020590234_100000210210 [1,0,0,0,0,0|3,0,0]=4 1566 B10R0.4 CCCCNCCNC(=O)N 7a_106832991798_200000034859 [1,0,0,0,0,0|3,0,0]=4 1567 B10R0.4 CCCCNCCOC(=O)C 7a_106832991798_100009814007 [1,0,0,0,0,0|3,0,0]=4 1568 B10R0.4 CCCCNCCOC(=O)N 7a_106832991798_200011214921 [1,0,0,0,0,0|3,0,0]=4 1569 B10R0.4 CCCCOCCCC(=O)C 34a_100000210227_100000685027 [1,0,0,0,0,0|2,0,0]=3 1570 B10R0.4 CCCCOCCCC(=O)C 34a_100000759063_100000210210 [1,0,0,0,0,0|2,0,0]=3 1571 B10R0.4 CCCCOCCCC(=O)C 7a_100000210227_100011215641 [1,0,0,0,0,0|2,0,0]=3 1572 B10R0.4 CCCCOCCCC(=O)C 7a_100000759063_100000210211 [1,0,0,0,0,0|2,0,0]=3 1573 B10R0.4 CCCCOCCCC(=O)N 34a_100000210227_100102525003 [1,0,0,0,0,0|2,0,0]=3 1574 B10R0.4 CCCCOCCCC(=O)N 7a_100000210227_100102525003 [1,0,0,0,0,0|2,0,0]=3 1575 B10R0.4 CCCCOCCCC(C)O 34a_100000210227_200000718107 [1,0,0,0,0,0|2,0,1]=4 1576 B10R0.4 CCCCOCCCC(C)O 7a_100000210227_200000718107 [1,0,0,0,0,0|2,0,1]=4 1577 B10R0.4 CCCCOCCC[N+](=O)[O-] 34a_200000037920_100000210210 [1,0,0,0,0,0|2,0,1]=4 1578 B10R0.4 CCCCOCCNC(=O)C 34a_100000158858_100000210210 [1,0,0,0,0,0|3,0,0]=4 1579 B10R0.4 CCCCOCCNC(=O)C 7a_100000210227_100000189650 [1,0,0,0,0,0|3,0,0]=4 1580 B10R0.4 CCCCOCCNC(=O)N 34a_100000181757_100000210210 [1,0,0,0,0,0|3,0,0]=4 1581 B10R0.4 CCCCOCCNC(=O)N 7a_100000210227_200000034859 [1,0,0,0,0,0|3,0,0]=4 1582 B10R0.4 CCCCOCCOC(=O)C 34a_100000210227_100009814007 [1,0,0,0,0,0|3,0,0]=4 1583 B10R0.4 CCCCOCCOC(=O)C 7a_100000210227_100009814007 [1,0,0,0,0,0|3,0,0]=4 1584 B10R0.4 CCCCOCCOC(=O)N 34a_100000210227_200011214921 [1,0,0,0,0,0|3,0,0]=4 1585 B10R0.4 CCCCOCCOC(=O)N 7a_100000210227_200011214921 [1,0,0,0,0,0|3,0,0]=4 1586 B10R0.4 CCCCOCCOC(=O)N 7a_100000766696_100000210211 [1,0,0,0,0,0|3,0,0]=4 1587 B10R0.4 CCCCOCNCC(=O)N 2230a_100000711301_100011995733 [1,0,0,0,0,0|3,0,0]=4 1588 B10R0.4 CCCCOCNCC(=O)O 269956a_100016091260_100011995733 [1,0,0,0,0,0|2,0,0]=3 1589 B10R0.4 CCCCOCOCC(=O)C 34a_100000211253_100011995733 [1,0,0,0,0,0|3,0,0]=4 1590 B10R0.4 CCCCOCSCC(=O)N 62a_100000747473_100011995733 [1,0,0,0,0,0|3,0,0]=4 1591 B10R0.4 CCCCOCSCC(=O)N 62a_100011995733_100000747473 [1,0,0,0,0,0|3,0,0]=4 1592 B10R0.4 CCCCOCSCC(=O)[O-] 62a_100011995733_100020667443 [1,0,0,0,0,0|2,0,1]=4 1593 B10R0.4 CCCCOCSCC(=O)[O-] 62a_100020667443_100011995733 [1,0,0,0,0,0|2,0,1]=4 1594 B10R0.4 CCCCSCCCC(=O)C 62a_100000210211_100011215641 [1,0,0,0,0,0|2,0,0]=3 1595 B10R0.4 CCCCSCCCC(=O)C 62a_100011215641_100000210210 [1,0,0,0,0,0|2,0,0]=3 1596 B10R0.4 CCCCSCCCC(=O)N 62a_100000210211_100102525003 [1,0,0,0,0,0|2,0,0]=3 1597 B10R0.4 CCCCSCCCC(=O)N 62a_100102525003_100000210210 [1,0,0,0,0,0|2,0,0]=3 1598 B10R0.4 CCCCSCCCC(C)O 62a_100000210211_200000718107 [1,0,0,0,0,0|2,0,1]=4 1599 B10R0.4 CCCCSCCCC(C)O 62a_200000718107_100000210210 [1,0,0,0,0,0|2,0,1]=4 1600 B10R0.4 CCCCSCCNC(=O)C 11a_100025743550_100015343762 [1,0,0,0,0,0|3,0,0]=4 1601 B10R0.4 CCCCSCCNC(=O)C 1626a_100025743550_100015343762 [1,0,0,0,0,0|3,0,0]=4 1602 B10R0.4 CCCCSCCNC(=O)C 240690a_100025743550_100015343762 [1,0,0,0,0,0|3,0,0]=4 1603 B10R0.4 CCCCSCCNC(=O)C 527a_100025743550_100103153847 [1,0,0,0,0,0|3,0,0]=4 1604 B10R0.4 CCCCSCCNC(=O)C 62a_100000189650_100000210210 [1,0,0,0,0,0|3,0,0]=4 1605 B10R0.4 CCCCSCCNC(=O)C 62a_100000210211_100000189650 [1,0,0,0,0,0|3,0,0]=4 1606 B10R0.4 CCCCSCCNC(=O)N 62a_100000210211_200000034859 [1,0,0,0,0,0|3,0,0]=4 1607 B10R0.4 CCCCSCCNC(=O)N 62a_200000034859_100000210210 [1,0,0,0,0,0|3,0,0]=4 1608 B10R0.4 CCCCSCCOC(=O)C 62a_100000210211_100009814007 [1,0,0,0,0,0|3,0,0]=4 1609 B10R0.4 CCCCSCCOC(=O)C 62a_100009814007_100000210210 [1,0,0,0,0,0|3,0,0]=4 1610 B10R0.4 CCCCSCCOC(=O)N 62a_100000210211_200011214921 [1,0,0,0,0,0|3,0,0]=4 1611 B10R0.4 CCCCSCCOC(=O)N 62a_200011214921_100000210210 [1,0,0,0,0,0|3,0,0]=4 1612 B10R0.4 CCCNCCCCC(=O)N 34a_100000696515_100000210303 [1,0,0,0,0,0|2,0,0]=3 1613 B10R0.4 CCCNCCCNC(=O)C 34a_100000736810_100000210303 [1,0,0,0,0,0|3,0,0]=4 1614 B10R0.4 CCCNCCOCC(=O)O 269956a_100000700818_100000210207 [1,0,0,0,0,0|2,0,0]=3 1615 B10R0.4 CCCOCCCCB(O)O 34a_100000210258_200009817182 [1,0,0,0,0,0|2,0,1]=4 1616 B10R0.4 CCCOCCCCC(=O)C 34a_100000210258_100009817362 [1,0,0,0,0,0|2,0,0]=3 1617 B10R0.4 CCCOCCCCC(=O)N 34a_100012022536_100000210303 [1,0,0,0,0,0|2,0,0]=3 1618 B10R0.4 CCCOCCCCC(=O)N 7a_100012022536_100000210303 [1,0,0,0,0,0|2,0,0]=3 1619 B10R0.4 CCCOCCCC[N+](=O)[O-] 34a_200015379883_100000210303 [1,0,0,0,0,0|2,0,1]=4 1620 B10R0.4 CCCOCCCC[N+](=O)[O-] 7a_200015379883_100000210303 [1,0,0,0,0,0|2,0,1]=4 1621 B10R0.4 CCCOCCCNC(=O)C 1626a_100011217757_100015343762 [1,0,0,0,0,0|3,0,0]=4 1622 B10R0.4 CCCOCCCNC(=O)C 240690a_100011217757_100015343762 [1,0,0,0,0,0|3,0,0]=4 1623 B10R0.4 CCCOCCCNC(=O)C 34a_100000752032_100000210303 [1,0,0,0,0,0|3,0,0]=4 1624 B10R0.4 CCCOCCCNC(=O)C 527a_100011217757_100103153847 [1,0,0,0,0,0|3,0,0]=4 1625 B10R0.4 CCCOCCCOC(=O)C 34a_100000210258_100000042594 [1,0,0,0,0,0|3,0,0]=4 1626 B10R0.4 CCCOCCCSC(=O)C 34a_100000210258_100000038929 [1,0,0,0,0,0|3,0,0]=4 1627 B10R0.4 CCCOCCNCC(=O)N 2230a_100000711301_100011215938 [1,0,0,0,0,0|3,0,0]=4 1628 B10R0.4 CCCOCCNCC(=O)N 2230a_100161115042_100000747473 [1,0,0,0,0,0|3,0,0]=4 1629 B10R0.4 CCCOCCNCC(=O)N 34a_100161115042_100000187820 [1,0,0,0,0,0|3,0,0]=4 1630 B10R0.4 CCCOCCNCC(=O)O 269956a_100016091260_100011215938 [1,0,0,0,0,0|2,0,0]=3 1631 B10R0.4 CCCOCCNCC(=O)[O-] 34a_100161115042_100020667443 [1,0,0,0,0,0|2,0,1]=4 1632 B10R0.4 CCCOCCOCC(=O)C 34a_100000211253_100011215938 [1,0,0,0,0,0|3,0,0]=4 1633 B10R0.4 CCCOCCOCC(=O)N 34a_100000210258_100000076697 [1,0,0,0,0,0|3,0,0]=4 1634 B10R0.4 CCCOCCOCC(=O)N 34a_100000752267_100000187820 [1,0,0,0,0,0|3,0,0]=4 1635 B10R0.4 CCCOCCOCC(=O)N 7a_100000752267_100000187820 [1,0,0,0,0,0|3,0,0]=4 1636 B10R0.4 CCCOCCOCC(=O)[O-] 34a_100000752267_100020667443 [1,0,0,0,0,0|2,0,1]=4 1637 B10R0.4 CCCOCCSCC(=O)N 62a_100000747473_100011215938 [1,0,0,0,0,0|3,0,0]=4 1638 B10R0.4 CCCOCCSCC(=O)N 62a_100011215938_100000747473 [1,0,0,0,0,0|3,0,0]=4 1639 B10R0.4 CCCOCCSCC(=O)[O-] 62a_100011215938_100020667443 [1,0,0,0,0,0|2,0,1]=4 1640 B10R0.4 CCCOCCSCC(=O)[O-] 62a_100020667443_100011215938 [1,0,0,0,0,0|2,0,1]=4 1641 B10R0.4 CCCSCCCCB(O)O 62a_100000210303_200009817182 [1,0,0,0,0,0|2,0,1]=4 1642 B10R0.4 CCCSCCCCB(O)O 62a_200009817182_100000210303 [1,0,0,0,0,0|2,0,1]=4 1643 B10R0.4 CCCSCCCCC(=O)C 62a_100000210303_100000735457 [1,0,0,0,0,0|2,0,0]=3 1644 B10R0.4 CCCSCCCCC(=O)C 62a_100000735457_100000210303 [1,0,0,0,0,0|2,0,0]=3 1645 B10R0.4 CCCSCCCOC(=O)C 62a_100000042594_100000210303 [1,0,0,0,0,0|3,0,0]=4 1646 B10R0.4 CCCSCCCOC(=O)C 62a_100000210303_100000042594 [1,0,0,0,0,0|3,0,0]=4 1647 B10R0.4 CCCSCCCSC(=O)C 62a_100000038929_100000210303 [1,0,0,0,0,0|3,0,0]=4 1648 B10R0.4 CCCSCCCSC(=O)C 62a_100000210303_100000038929 [1,0,0,0,0,0|3,0,0]=4 1649 B10R0.4 CCCSCCNCC(=O)N 2230a_100020603323_100000747473 [1,0,0,0,0,0|3,0,0]=4 1650 B10R0.4 CCCSCCOCC(=O)N 34a_200000230433_100000187820 [1,0,0,0,0,0|3,0,0]=4 1651 B10R0.4 CCCSCCOCC(=O)N 62a_100000076697_100000210303 [1,0,0,0,0,0|3,0,0]=4 1652 B10R0.4 CCCSCCOCC(=O)N 62a_100000210303_100000076697 [1,0,0,0,0,0|3,0,0]=4 1653 B10R0.4 CCCSCCOCC(=O)N 7a_200000230433_100000187820 [1,0,0,0,0,0|3,0,0]=4 1654 B10R0.4 CCCSCCOCC(=O)[O-] 34a_200000230433_100020667443 [1,0,0,0,0,0|2,0,1]=4 1655 B10R0.4 CCNCCCCCB(O)O 2230a_100015525214_200009817188 [1,0,0,0,0,0|2,0,1]=4 1656 B10R0.4 CCNCCCCCC(=O)N 2230a_100015525214_100009817443 [1,0,0,0,0,0|2,0,0]=3 1657 B10R0.4 CCNCCCCNC(=O)C 2230a_200011368371_100000210202 [1,0,0,0,0,0|3,0,0]=4 1658 B10R0.4 CCNCCCCNC(=O)C 34a_200011368371_100000210202 [1,0,0,0,0,0|3,0,0]=4 1659 B10R0.4 CCNCCCCSC(=O)C 2230a_100015525214_200010402107 [1,0,0,0,0,0|3,0,0]=4 1660 B10R0.4 CCOCCCCCB(O)O 34a_100121572206_200009817188 [1,0,0,0,0,0|2,0,1]=4 1661 B10R0.4 CCOCCCCCC(=O)N 34a_100000123541_100000210202 [1,0,0,0,0,0|2,0,0]=3 1662 B10R0.4 CCOCCCCCC(=O)N 34a_100121572206_100009817443 [1,0,0,0,0,0|2,0,0]=3 1663 B10R0.4 CCOCCCCCC(=O)N 7a_100000123541_100000210202 [1,0,0,0,0,0|2,0,0]=3 1664 B10R0.4 CCOCCCCCC(=O)[O-] 7a_100102619762_100000210202 [1,0,0,0,0,0|1,0,1]=3 1665 B10R0.4 CCOCCCCOC(=O)C 34a_100000073216_100000210202 [1,0,0,0,0,0|3,0,0]=4 1666 B10R0.4 CCOCCCCOC(=O)C 34a_100121572206_100000033659 [1,0,0,0,0,0|3,0,0]=4 1667 B10R0.4 CCOCCCCOC(=O)C 7a_100000073216_100000210202 [1,0,0,0,0,0|3,0,0]=4 1668 B10R0.4 CCOCCCCSC(=O)C 34a_100121572206_200010402107 [1,0,0,0,0,0|3,0,0]=4 1669 B10R0.4 CCOCCCNCC(=O)N 2230a_100000210961_100000747473 [1,0,0,0,0,0|3,0,0]=4 1670 B10R0.4 CCOCCCNCC(=O)N 2230a_100000711301_100012232248 [1,0,0,0,0,0|3,0,0]=4 1671 B10R0.4 CCOCCCNCC(=O)N 34a_100000210961_100000187820 [1,0,0,0,0,0|3,0,0]=4 1672 B10R0.4 CCOCCCNCC(=O)O 269956a_100016091260_100012232248 [1,0,0,0,0,0|2,0,0]=3 1673 B10R0.4 CCOCCCNCC(=O)[O-] 34a_100000210961_100020667443 [1,0,0,0,0,0|2,0,1]=4 1674 B10R0.4 CCOCCCOCC(=O)C 34a_100000211253_100012232248 [1,0,0,0,0,0|3,0,0]=4 1675 B10R0.4 CCOCCCOCC(=O)N 34a_100000757476_100000187820 [1,0,0,0,0,0|3,0,0]=4 1676 B10R0.4 CCOCCCOCC(=O)N 7a_100000757476_100000187820 [1,0,0,0,0,0|3,0,0]=4 1677 B10R0.4 CCOCCCOCC(=O)[O-] 34a_100000757476_100020667443 [1,0,0,0,0,0|2,0,1]=4 1678 B10R0.4 CCOCCCSCC(=O)N 62a_100000747473_100012232248 [1,0,0,0,0,0|3,0,0]=4 1679 B10R0.4 CCOCCCSCC(=O)N 62a_100012232248_100000747473 [1,0,0,0,0,0|3,0,0]=4 1680 B10R0.4 CCOCCCSCC(=O)[O-] 62a_100012232248_100020667443 [1,0,0,0,0,0|2,0,1]=4 1681 B10R0.4 CCOCCCSCC(=O)[O-] 62a_100020667443_100012232248 [1,0,0,0,0,0|2,0,1]=4 1682 B10R0.4 CCOCCNCCC(=O)N 2230a_102516460346_100000744528 [1,0,0,0,0,0|3,0,0]=4 1683 B10R0.4 CCOCCNCCC(=O)N 34a_102516460346_100000731001 [1,0,0,0,0,0|3,0,0]=4 1684 B10R0.4 CCOCCNOCC(=O)O 269956a_100000106656_100000210147 [1,0,0,0,0,0|3,0,0]=4 1685 B10R0.4 CCOCCOCCC(=O)C 1458a_100000070787_100011211534 [1,0,0,0,0,0|3,0,0]=4 1686 B10R0.4 CCOCCOCCC(=O)C 34a_100000759926_100000210147 [1,0,0,0,0,0|3,0,0]=4 1687 B10R0.4 CCOCCOCCC(=O)C 7a_100000210136_100000053229 [1,0,0,0,0,0|3,0,0]=4 1688 B10R0.4 CCOCCOCCC(=O)C 7a_100000759926_100011215890 [1,0,0,0,0,0|3,0,0]=4 1689 B10R0.4 CCOCCOCCC(=O)N 34a_100000210136_100000731001 [1,0,0,0,0,0|3,0,0]=4 1690 B10R0.4 CCOCCOCCC(=O)N 34a_100000757172_100000210147 [1,0,0,0,0,0|3,0,0]=4 1691 B10R0.4 CCOCCOCCC(=O)N 7a_100000210136_100000744528 [1,0,0,0,0,0|3,0,0]=4 1692 B10R0.4 CCOCCOCCC(=O)N 7a_100000757172_100011215890 [1,0,0,0,0,0|3,0,0]=4 1693 B10R0.4 CCOCCSCCC(=O)C 62a_100000053229_100011215890 [1,0,0,0,0,0|3,0,0]=4 1694 B10R0.4 CCOCCSCCC(=O)C 62a_100000210147_100000053229 [1,0,0,0,0,0|3,0,0]=4 1695 B10R0.4 CCOCCSCCC(=O)N 62a_100000210147_100000744528 [1,0,0,0,0,0|3,0,0]=4 1696 B10R0.4 CCOCCSCCC(=O)N 62a_100000744528_100011215890 [1,0,0,0,0,0|3,0,0]=4 1697 B10R0.4 CCOCSCCCC(=O)C 62a_100000739092_100011215641 [1,0,0,0,0,0|3,0,0]=4 1698 B10R0.4 CCOCSCCCC(=O)C 62a_100011215641_100000739092 [1,0,0,0,0,0|3,0,0]=4 1699 B10R0.4 CCOCSCCCC(=O)N 62a_100000739092_100102525003 [1,0,0,0,0,0|3,0,0]=4 1700 B10R0.4 CCOCSCCCC(=O)N 62a_100102525003_100000739092 [1,0,0,0,0,0|3,0,0]=4 1701 B10R0.4 CCSCCCCCB(O)O 62a_100000210202_200009817188 [1,0,0,0,0,0|2,0,1]=4 1702 B10R0.4 CCSCCCCCB(O)O 62a_200009817188_100000210202 [1,0,0,0,0,0|2,0,1]=4 1703 B10R0.4 CCSCCCCCC(=O)N 62a_100000210202_100009817443 [1,0,0,0,0,0|2,0,0]=3 1704 B10R0.4 CCSCCCCCC(=O)N 62a_100009817443_100000210202 [1,0,0,0,0,0|2,0,0]=3 1705 B10R0.4 CCSCCCCOC(=O)C 62a_100000033659_100000210202 [1,0,0,0,0,0|3,0,0]=4 1706 B10R0.4 CCSCCCCOC(=O)C 62a_100000210202_100000033659 [1,0,0,0,0,0|3,0,0]=4 1707 B10R0.4 CCSCCCCSC(=O)C 62a_100000210202_200010402107 [1,0,0,0,0,0|3,0,0]=4 1708 B10R0.4 CCSCCCCSC(=O)C 62a_200010402107_100000210202 [1,0,0,0,0,0|3,0,0]=4 1709 B10R0.4 CCSCCCOCC(=O)N 34a_100011216438_100000187820 [1,0,0,0,0,0|3,0,0]=4 1710 B10R0.4 CCSCCCOCC(=O)N 7a_100011216438_100000187820 [1,0,0,0,0,0|3,0,0]=4 1711 B10R0.4 CCSCCCOCC(=O)[O-] 34a_100011216438_100020667443 [1,0,0,0,0,0|2,0,1]=4 1712 B10R0.4 CCSCCNCCC(=O)N 2230a_100000106463_100000744528 [1,0,0,0,0,0|3,0,0]=4 1713 B10R0.4 CCSCCNOCC(=O)O 269956a_100000106656_100000757381 [1,0,0,0,0,0|3,0,0]=4 1714 B10R0.4 CCSCCOCCC(=O)C 34a_100000759926_100000757381 [1,0,0,0,0,0|3,0,0]=4 1715 B10R0.4 CCSCCOCCC(=O)C 7a_100000212035_100000053229 [1,0,0,0,0,0|3,0,0]=4 1716 B10R0.4 CCSCCOCCC(=O)C 7a_100000759926_100000757381 [1,0,0,0,0,0|3,0,0]=4 1717 B10R0.4 CCSCCOCCC(=O)N 34a_100000212035_100000731001 [1,0,0,0,0,0|3,0,0]=4 1718 B10R0.4 CCSCCOCCC(=O)N 34a_100000757172_100000757381 [1,0,0,0,0,0|3,0,0]=4 1719 B10R0.4 CCSCCOCCC(=O)N 7a_100000212035_100000744528 [1,0,0,0,0,0|3,0,0]=4 1720 B10R0.4 CCSCCOCCC(=O)N 7a_100000757172_100000757381 [1,0,0,0,0,0|3,0,0]=4 1721 B10R0.4 CCSCCSCCC(=O)C 62a_100000053229_100000757381 [1,0,0,0,0,0|3,0,0]=4 1722 B10R0.4 CCSCCSCCC(=O)C 62a_100000757381_100000053229 [1,0,0,0,0,0|3,0,0]=4 1723 B10R0.4 CCSCCSCCC(=O)N 62a_100000744528_100000757381 [1,0,0,0,0,0|3,0,0]=4 1724 B10R0.4 CCSCCSCCC(=O)N 62a_100000757381_100000744528 [1,0,0,0,0,0|3,0,0]=4 1725 B10R0.4 CNCCCCCCB(O)O 2230a_106832991635_100009817187 [1,0,0,0,0,0|2,0,1]=4 1726 B10R0.4 CNCCCCCCB(O)O 34a_100102657272_100009817187 [1,0,0,0,0,0|2,0,1]=4 1727 B10R0.4 CNCCCCCCB(O)O 7a_106832991635_100009817187 [1,0,0,0,0,0|2,0,1]=4 1728 B10R0.4 CNCCCCCNC(=O)C 2230a_200012022750_200000210301 [1,0,0,0,0,0|3,0,0]=4 1729 B10R0.4 CNCCCCCNC(=O)C 34a_200012022750_200000210301 [1,0,0,0,0,0|3,0,0]=4 1730 B10R0.4 CNCCCCCOC(=O)C 2230a_106832991635_100009813381 [1,0,0,0,0,0|3,0,0]=4 1731 B10R0.4 CNCCCCCOC(=O)C 34a_100102657272_100000033007 [1,0,0,0,0,0|3,0,0]=4 1732 B10R0.4 CNCCCCCOC(=O)C 7a_106832991635_100000033007 [1,0,0,0,0,0|3,0,0]=4 1733 B10R0.4 CNCCCOCCC(=O)N 34a_100000213112_100000731001 [1,0,0,0,0,0|3,0,0]=4 1734 B10R0.4 COCCCCCCB(O)O 34a_100138415774_100009817187 [1,0,0,0,0,0|2,0,1]=4 1735 B10R0.4 COCCCCCCC(=O)C 1458a_100000070787_100011998445 [1,0,0,0,0,0|2,0,0]=3 1736 B10R0.4 COCCCCCNC(=O)C 11a_100000747528_100015343762 [1,0,0,0,0,0|3,0,0]=4 1737 B10R0.4 COCCCCCNC(=O)C 1626a_100000747528_100015343762 [1,0,0,0,0,0|3,0,0]=4 1738 B10R0.4 COCCCCCNC(=O)C 240690a_100000747528_100015343762 [1,0,0,0,0,0|3,0,0]=4 1739 B10R0.4 COCCCCCNC(=O)C 527a_100000747528_100103153847 [1,0,0,0,0,0|3,0,0]=4 1740 B10R0.4 COCCCCCOC(=O)C 34a_100138415774_100000033007 [1,0,0,0,0,0|3,0,0]=4 1741 B10R0.4 COCCCCNCC(=O)N 2230a_100000711301_100000730899 [1,0,0,0,0,0|3,0,0]=4 1742 B10R0.4 COCCCCNCC(=O)O 269956a_100016091260_100000730899 [1,0,0,0,0,0|2,0,0]=3 1743 B10R0.4 COCCCCOCC(=O)C 34a_100000211253_100000755781 [1,0,0,0,0,0|3,0,0]=4 1744 B10R0.4 COCCCCOCC(=O)N 34a_100000740925_100000187820 [1,0,0,0,0,0|3,0,0]=4 1745 B10R0.4 COCCCCOCC(=O)[O-] 34a_100000740925_100020667443 [1,0,0,0,0,0|2,0,1]=4 1746 B10R0.4 COCCCCSCC(=O)N 62a_100000730899_100000747473 [1,0,0,0,0,0|3,0,0]=4 1747 B10R0.4 COCCCCSCC(=O)N 62a_100000747473_100000730899 [1,0,0,0,0,0|3,0,0]=4 1748 B10R0.4 COCCCCSCC(=O)[O-] 62a_100000730899_100020667443 [1,0,0,0,0,0|2,0,1]=4 1749 B10R0.4 COCCCCSCC(=O)[O-] 62a_100020667443_100000730899 [1,0,0,0,0,0|2,0,1]=4 1750 B10R0.4 COCCCNCCC(=O)N 34a_100150723488_100000731001 [1,0,0,0,0,0|3,0,0]=4 1751 B10R0.4 COCCCNOCC(=O)O 269956a_100000106656_100000740836 [1,0,0,0,0,0|3,0,0]=4 1752 B10R0.4 COCCCOCCC(=O)C 34a_100000759926_100000740836 [1,0,0,0,0,0|3,0,0]=4 1753 B10R0.4 COCCCOCCC(=O)C 7a_100000759926_100000740836 [1,0,0,0,0,0|3,0,0]=4 1754 B10R0.4 COCCCOCCC(=O)N 34a_100000740835_100000731001 [1,0,0,0,0,0|3,0,0]=4 1755 B10R0.4 COCCCOCCC(=O)N 34a_100000757172_100000740836 [1,0,0,0,0,0|3,0,0]=4 1756 B10R0.4 COCCCOCCC(=O)N 7a_100000757172_100000740836 [1,0,0,0,0,0|3,0,0]=4 1757 B10R0.4 COCCCSCCC(=O)C 62a_100000053229_100000709357 [1,0,0,0,0,0|3,0,0]=4 1758 B10R0.4 COCCCSCCC(=O)C 62a_100000709357_100000053229 [1,0,0,0,0,0|3,0,0]=4 1759 B10R0.4 COCCCSCCC(=O)N 62a_100000709357_100000744528 [1,0,0,0,0,0|3,0,0]=4 1760 B10R0.4 COCCCSCCC(=O)N 62a_100000744528_100000709357 [1,0,0,0,0,0|3,0,0]=4 1761 B10R0.4 COCCNCCCC(=O)N 34a_100000739312_100011201679 [1,0,0,0,0,0|3,0,0]=4 1762 B10R0.4 COCCOCCCC(=O)C 1458a_100000070787_100011216529 [1,0,0,0,0,0|3,0,0]=4 1763 B10R0.4 COCCOCCCC(=O)C 34a_100000210237_100000685027 [1,0,0,0,0,0|3,0,0]=4 1764 B10R0.4 COCCOCCCC(=O)C 34a_100000759063_100011201679 [1,0,0,0,0,0|3,0,0]=4 1765 B10R0.4 COCCOCCCC(=O)C 7a_100000759063_100000233755 [1,0,0,0,0,0|3,0,0]=4 1766 B10R0.4 COCCOCCCC(=O)N 34a_100000210237_100102525003 [1,0,0,0,0,0|3,0,0]=4 1767 B10R0.4 COCCOCNCC(=O)O 269956a_100016091260_100000231047 [1,0,0,0,0,0|3,0,0]=4 1768 B10R0.4 COCCSCCCC(=O)C 62a_100000233755_100011215641 [1,0,0,0,0,0|3,0,0]=4 1769 B10R0.4 COCCSCCCC(=O)C 62a_100011215641_100000233755 [1,0,0,0,0,0|3,0,0]=4 1770 B10R0.4 COCCSCCCC(=O)N 62a_100000233755_100102525003 [1,0,0,0,0,0|3,0,0]=4 1771 B10R0.4 COCCSCCCC(=O)N 62a_100102525003_100000233755 [1,0,0,0,0,0|3,0,0]=4 1772 B10R0.4 COCNCCOCC(=O)O 269956a_100000700818_100000766300 [1,0,0,0,0,0|3,0,0]=4 1773 B10R0.4 COCSCCCCC(=O)C 62a_100000735457_100000766300 [1,0,0,0,0,0|3,0,0]=4 1774 B10R0.4 COCSCCCCC(=O)C 62a_100000766300_100000735457 [1,0,0,0,0,0|3,0,0]=4 1775 B10R0.4 CSCCCCCCB(O)O 62a_100009817187_200000210301 [1,0,0,0,0,0|2,0,1]=4 1776 B10R0.4 CSCCCCCCB(O)O 62a_200000210301_100009817187 [1,0,0,0,0,0|2,0,1]=4 1777 B10R0.4 CSCCCCCOC(=O)C 62a_100000033007_200000210301 [1,0,0,0,0,0|3,0,0]=4 1778 B10R0.4 CSCCCCCOC(=O)C 62a_200000210301_100000033007 [1,0,0,0,0,0|3,0,0]=4 1779 B10R0.4 CSCCCCOCC(=O)N 34a_100011217163_100000187820 [1,0,0,0,0,0|3,0,0]=4 1780 B10R0.4 CSCCCCOCC(=O)N 7a_100011217163_100000187820 [1,0,0,0,0,0|3,0,0]=4 1781 B10R0.4 CSCCCCOCC(=O)[O-] 34a_100011217163_100020667443 [1,0,0,0,0,0|2,0,1]=4 1782 B10R0.4 CSCCCNCCC(=O)N 2230a_100000749238_100000744528 [1,0,0,0,0,0|3,0,0]=4 1783 B10R0.4 CSCCCOCCC(=O)C 7a_100000690336_100000053229 [1,0,0,0,0,0|3,0,0]=4 1784 B10R0.4 CSCCCOCCC(=O)N 34a_100000690336_100000731001 [1,0,0,0,0,0|3,0,0]=4 1785 B10R0.4 CSCCCOCCC(=O)N 7a_100000690336_100000744528 [1,0,0,0,0,0|3,0,0]=4 1786 B10R0.4 CSCCNCCCC(=O)N 34a_100000739312_100000212216 [1,0,0,0,0,0|3,0,0]=4 1787 B10R0.4 CSCCOCCCC(=O)C 34a_100000230434_100000685027 [1,0,0,0,0,0|3,0,0]=4 1788 B10R0.4 CSCCOCCCC(=O)C 34a_100000759063_100000212216 [1,0,0,0,0,0|3,0,0]=4 1789 B10R0.4 CSCCOCCCC(=O)C 7a_100000230434_100011215641 [1,0,0,0,0,0|3,0,0]=4 1790 B10R0.4 CSCCOCCCC(=O)C 7a_100000759063_100000212216 [1,0,0,0,0,0|3,0,0]=4 1791 B10R0.4 CSCCOCCCC(=O)N 34a_100000230434_100102525003 [1,0,0,0,0,0|3,0,0]=4 1792 B10R0.4 CSCCOCCCC(=O)N 7a_100000230434_100102525003 [1,0,0,0,0,0|3,0,0]=4 1793 B10R0.4 CSCCSCCCC(=O)C 62a_100000212216_100011215641 [1,0,0,0,0,0|3,0,0]=4 1794 B10R0.4 CSCCSCCCC(=O)C 62a_100011215641_100000751147 [1,0,0,0,0,0|3,0,0]=4 1795 B10R0.4 CSCCSCCCC(=O)N 62a_100000212216_100102525003 [1,0,0,0,0,0|3,0,0]=4 1796 B10R0.4 CSCCSCCCC(=O)N 62a_100102525003_100000751147 [1,0,0,0,0,0|3,0,0]=4 1797 B10R0.4 CSCNCCCCC(=O)N 34a_100000696515_100011218213 [1,0,0,0,0,0|3,0,0]=4 1798 B10R0.4 CSCNCCOCC(=O)O 269956a_100000700818_100011218213 [1,0,0,0,0,0|3,0,0]=4 1799 B10R0.4 CSCOCCCCC(=O)N 34a_100012022536_100011218213 [1,0,0,0,0,0|3,0,0]=4 1800 B10R0.4 CSCSCCCCC(=O)C 62a_100000735457_100011218213 [1,0,0,0,0,0|3,0,0]=4 1801 B10R0.4 CSCSCCCCC(=O)C 62a_100011218213_100000735457 [1,0,0,0,0,0|3,0,0]=4 1802 B10R0.4 N#CCCCCNCC(=O)O 269956a_100016091260_100011219923 [1,0,0,0,0,0|2,0,1]=4 1803 B10R0.4 NC(=O)CCCCCOCF 34a_100000123541_100015361967 [1,0,0,0,0,0|3,0,0]=4 1804 B10R0.4 NC(=O)CCCCCOCF 7a_100000123541_100015361967 [1,0,0,0,0,0|3,0,0]=4 1805 B10R0.4 NC(=O)CCCCCSCF 62a_100009817443_100015361967 [1,0,0,0,0,0|3,0,0]=4 1806 B10R0.4 NC(=O)CCCCCSCF 62a_100015361967_100009817443 [1,0,0,0,0,0|3,0,0]=4 1807 B10R0.4 NC(=O)CCCCNCCF 34a_100000696515_100011217306 [1,0,0,0,0,0|3,0,0]=4 1808 B10R0.4 NC(=O)CCCCNCCO 34a_100000696515_100000211926 [1,0,0,0,0,0|3,0,0]=4 1809 B10R0.4 NC(=O)CCCCOCCF 34a_100012022536_100011217306 [1,0,0,0,0,0|3,0,0]=4 1810 B10R0.4 NC(=O)CCCCOCCF 7a_100012022536_100011217306 [1,0,0,0,0,0|3,0,0]=4 1811 B10R0.4 NC(=O)CCCCOCCO 34a_100012022536_100000211926 [1,0,0,0,0,0|3,0,0]=4 1812 B10R0.4 NC(=O)CCCCOCCO 7a_100012022536_100000211926 [1,0,0,0,0,0|3,0,0]=4 1813 B10R0.4 NC(=O)CCCNCCCF 34a_100000739312_100011934791 [1,0,0,0,0,0|3,0,0]=4 1814 B10R0.4 NC(=O)CCCNCCCF 34a_100015189416_100102525003 [1,0,0,0,0,0|3,0,0]=4 1815 B10R0.4 NC(=O)CCCNCCCO 34a_100000739312_100000230001 [1,0,0,0,0,0|3,0,0]=4 1816 B10R0.4 NC(=O)CCCOCCCBr 34a_100011217188_100102525003 [1,0,0,0,0,0|3,0,0]=4 1817 B10R0.4 NC(=O)CCCOCCCCl 34a_100000230001_100102525003 [1,0,0,0,0,0|3,0,0]=4 1818 B10R0.4 NC(=O)CCCOCCCF 34a_100000759539_100102525003 [1,0,0,0,0,0|3,0,0]=4 1819 B10R0.4 NC(=O)CCCSCCCF 62a_100011934791_100102525003 [1,0,0,0,0,0|3,0,0]=4 1820 B10R0.4 NC(=O)CCCSCCCF 62a_100102525003_100011934791 [1,0,0,0,0,0|3,0,0]=4 1821 B10R0.4 NC(=O)CCCSCCCO 62a_100011215043_100102525003 [1,0,0,0,0,0|3,0,0]=4 1822 B10R0.4 NC(=O)CCCSCCCO 62a_100102525003_100011215043 [1,0,0,0,0,0|3,0,0]=4 1823 B10R0.4 NC(=O)CCNCCCCO 2230a_100000750430_100000744528 [1,0,0,0,0,0|3,0,0]=4 1824 B10R0.4 NC(=O)CCNCCCCO 34a_100000750430_100000731001 [1,0,0,0,0,0|3,0,0]=4 1825 B10R0.4 NC(=O)CCOCCCCBr 34a_100011216708_100000731001 [1,0,0,0,0,0|3,0,0]=4 1826 B10R0.4 NC(=O)CCOCCCCCl 34a_100000210776_100000731001 [1,0,0,0,0,0|3,0,0]=4 1827 B10R0.4 NC(=O)CCOCCCCCl 7a_100000210776_100000744528 [1,0,0,0,0,0|3,0,0]=4 1828 B10R0.4 NC(=O)CCOCCCCF 34a_100000757172_100000729493 [1,0,0,0,0,0|3,0,0]=4 1829 B10R0.4 NC(=O)CCOCCCCF 34a_100011995726_100000731001 [1,0,0,0,0,0|3,0,0]=4 1830 B10R0.4 NC(=O)CCOCCCCF 7a_100000757172_100000729493 [1,0,0,0,0,0|3,0,0]=4 1831 B10R0.4 NC(=O)CCOCCCCF 7a_100011995726_100000744528 [1,0,0,0,0,0|3,0,0]=4 1832 B10R0.4 NC(=O)CCOCCCCI 34a_200012148704_100000731001 [1,0,0,0,0,0|3,0,0]=4 1833 B10R0.4 NC(=O)CCOCCCCO 34a_100000757172_100011216708 [1,0,0,0,0,0|3,0,0]=4 1834 B10R0.4 NC(=O)CCOCCCCO 7a_100000757172_100000210776 [1,0,0,0,0,0|3,0,0]=4 1835 B10R0.4 NC(=O)CCSCCCCF 62a_100000729493_100000744528 [1,0,0,0,0,0|3,0,0]=4 1836 B10R0.4 NC(=O)CCSCCCCF 62a_100000744528_100000729493 [1,0,0,0,0,0|3,0,0]=4 1837 B10R0.4 NC(=O)CCSCCCCO 62a_100000210776_100000744528 [1,0,0,0,0,0|3,0,0]=4 1838 B10R0.4 NC(=O)CCSCCCCO 62a_100000744528_100000210776 [1,0,0,0,0,0|3,0,0]=4 1839 B10R0.4 NC(=O)CNCCCCCF 2230a_100000711301_100000729378 [1,0,0,0,0,0|3,0,0]=4 1840 B10R0.4 NC(=O)CNCCCCCO 2230a_100000711301_100000746330 [1,0,0,0,0,0|3,0,0]=4 1841 B10R0.4 NC(=O)CNCCCCCO 2230a_100000762737_100000747473 [1,0,0,0,0,0|3,0,0]=4 1842 B10R0.4 NC(=O)CNCCCCCO 34a_100000762737_100000187820 [1,0,0,0,0,0|3,0,0]=4 1843 B10R0.4 NC(=O)COCCCCCBr 34a_100000746331_100000187820 [1,0,0,0,0,0|3,0,0]=4 1844 B10R0.4 NC(=O)COCCCCCBr 7a_100000746331_100000187820 [1,0,0,0,0,0|3,0,0]=4 1845 B10R0.4 NC(=O)COCCCCCCl 34a_100000746330_100000187820 [1,0,0,0,0,0|3,0,0]=4 1846 B10R0.4 NC(=O)COCCCCCCl 7a_100000746330_100000187820 [1,0,0,0,0,0|3,0,0]=4 1847 B10R0.4 NC(=O)COCCCCCI 34a_200012148887_100000187820 [1,0,0,0,0,0|3,0,0]=4 1848 B10R0.4 NC(=O)COCCCCCI 7a_200012148887_100000187820 [1,0,0,0,0,0|3,0,0]=4 1849 B10R0.4 NC(=O)CSCCCCCF 62a_100000729378_100000747473 [1,0,0,0,0,0|3,0,0]=4 1850 B10R0.4 NC(=O)CSCCCCCF 62a_100000747473_100000729378 [1,0,0,0,0,0|3,0,0]=4 1851 B10R0.4 NC(=O)CSCCCCCO 62a_100000746330_100000747473 [1,0,0,0,0,0|3,0,0]=4 1852 B10R0.4 NC(=O)CSCCCCCO 62a_100000747473_100000746330 [1,0,0,0,0,0|3,0,0]=4 1853 B10R0.4 NCCCCCOCC(=O)N 34a_100000762737_100000187820 [1,0,0,0,0,0|3,0,0]=4 1854 B10R0.4 NCCCCCOCC(=O)[O-] 34a_100000762737_100020667443 [1,0,0,0,0,0|2,0,1]=4 1855 B10R0.4 NCCCCOCCC(=O)N 34a_100000750430_100000731001 [1,0,0,0,0,0|3,0,0]=4 1856 B10R0.4 NCCCOCCCC(=O)N 34a_100000182051_100102525003 [1,0,0,0,0,0|3,0,0]=4 1857 B10R0.4 O=C(O)CNCCCCCF 269956a_100016091260_100000729378 [1,0,0,0,0,0|2,0,0]=3 1858 B10R0.4 O=C(O)CNCCCCCO 269956a_100016091260_100000746330 [1,0,0,0,0,0|2,0,0]=3 1859 B10R0.4 O=C(O)CNCCOCCO 269956a_100016091260_100011215305 [1,0,0,0,0,0|3,0,0]=4 1860 B10R0.4 O=C(O)COCCNCCF 269956a_100000700818_100011217306 [1,0,0,0,0,0|3,0,0]=4 1861 B10R0.4 O=C(O)COCCNCCO 269956a_100000700818_100000211926 [1,0,0,0,0,0|3,0,0]=4 1862 B10R0.4 O=C(O)CONCCCCF 269956a_100000106656_100000729493 [1,0,0,0,0,0|3,0,0]=4 1863 B10R0.4 O=C(O)CONCCCCO 269956a_100000106656_100000210776 [1,0,0,0,0,0|3,0,0]=4 1864 B10R0.4 O=C([O-])CCCCCOCF 7a_100102619762_100015361967 [1,0,0,0,0,0|2,0,1]=4 1865 B10R0.4 O=C([O-])CNCCCCCO 34a_100000762737_100020667443 [1,0,0,0,0,0|2,0,1]=4 1866 B10R0.4 O=C([O-])COCCCCCBr 34a_100000746331_100020667443 [1,0,0,0,0,0|2,0,1]=4 1867 B10R0.4 O=C([O-])COCCCCCCl 34a_100000746330_100020667443 [1,0,0,0,0,0|2,0,1]=4 1868 B10R0.4 O=C([O-])COCCCCCI 34a_200012148887_100020667443 [1,0,0,0,0,0|2,0,1]=4 1869 B10R0.4 O=C([O-])CSCCCCCF 62a_100000729378_100020667443 [1,0,0,0,0,0|2,0,1]=4 1870 B10R0.4 O=C([O-])CSCCCCCF 62a_100020667443_100000729378 [1,0,0,0,0,0|2,0,1]=4 1871 B10R0.4 O=C([O-])CSCCCCCO 62a_100000746330_100020667443 [1,0,0,0,0,0|2,0,1]=4 1872 B10R0.4 O=C([O-])CSCCCCCO 62a_100020667443_100000746330 [1,0,0,0,0,0|2,0,1]=4 1873 B10R0.4 O=CCCCCNCC(=O)O 269956a_100016091260_100000139335 [1,0,0,0,0,0|2,0,1]=4 1874 B10R0.4 [13CH3]C(=O)CCCCCCCO 1458a_100011219782_200025704644 [1,0,0,0,0,0|2,0,0]=3 1875 B10R0.4 [13CH3]SCCCCCCB(O)O 62a_100009817187_200025704644 [1,0,0,0,0,0|2,0,1]=4 1876 B10R0.4 [13CH3]SCCCCCCB(O)O 62a_200025704644_100009817187 [1,0,0,0,0,0|2,0,1]=4 1877 B10R0.71 C#CCCCCCCCNC 2230a_106832991635_100153394163 [1,0,0,0,0,0|2,0,1]=4 1878 B10R0.71 C#CCCCCCCCNC 34a_100102657272_100153394163 [1,0,0,0,0,0|2,0,1]=4 1879 B10R0.71 C#CCCCCCCCNC 7a_106832991635_100153394163 [1,0,0,0,0,0|2,0,1]=4 1880 B10R0.71 C#CCCCCCCCOC 34a_100000054614_200000210301 [1,0,0,0,0,0|2,0,1]=4 1881 B10R0.71 C#CCCCCCCCOC 34a_100138415774_100153394163 [1,0,0,0,0,0|2,0,1]=4 1882 B10R0.71 C#CCCCCCCCOC 7a_100000054614_200000210301 [1,0,0,0,0,0|2,0,1]=4 1883 B10R0.71 C#CCCCCCCCO[13CH3] 34a_100000054614_200025704644 [1,0,0,0,0,0|2,0,1]=4 1884 B10R0.71 C#CCCCCCCCO[13CH3] 7a_100000054614_200025704644 [1,0,0,0,0,0|2,0,1]=4 1885 B10R0.71 C#CCCCCCCCSC 62a_100153394163_200000210301 [1,0,0,0,0,0|2,0,1]=4 1886 B10R0.71 C#CCCCCCCCSC 62a_200000210301_100153394163 [1,0,0,0,0,0|2,0,1]=4 1887 B10R0.71 C#CCCCCCCCS[13CH3] 62a_100153394163_200025704644 [1,0,0,0,0,0|2,0,1]=4 1888 B10R0.71 C#CCCCCCCCS[13CH3] 62a_200025704644_100153394163 [1,0,0,0,0,0|2,0,1]=4 1889 B10R0.71 C#CCCCCCCNCC 2230a_100015525214_100012276617 [1,0,0,0,0,0|2,0,1]=4 1890 B10R0.71 C#CCCCCCCOCC 34a_100011217361_100000210202 [1,0,0,0,0,0|2,0,1]=4 1891 B10R0.71 C#CCCCCCCOCC 34a_100121572206_100012276617 [1,0,0,0,0,0|2,0,1]=4 1892 B10R0.71 C#CCCCCCCOCC 7a_100011217361_100000210202 [1,0,0,0,0,0|2,0,1]=4 1893 B10R0.71 C#CCCCCCCSCC 62a_100000210202_100012276617 [1,0,0,0,0,0|2,0,1]=4 1894 B10R0.71 C#CCCCCCCSCC 62a_100012276617_100000210202 [1,0,0,0,0,0|2,0,1]=4 1895 B10R0.71 C#CCCCCCOCC=O 34a_100000766912_200009817547 [1,0,0,0,0,0|1,0,2]=4 1896 B10R0.71 C#CCCCCCOCC=O 7a_100000766912_200015260668 [1,0,0,0,0,0|1,0,2]=4 1897 B10R0.71 C#CCCCCCOCCC 34a_100000210258_100012094781 [1,0,0,0,0,0|2,0,1]=4 1898 B10R0.71 C#CCCCCCOCCC 34a_100000766912_100000210303 [1,0,0,0,0,0|2,0,1]=4 1899 B10R0.71 C#CCCCCCOCCC 7a_100000766912_100000210303 [1,0,0,0,0,0|2,0,1]=4 1900 B10R0.71 C#CCCCCCSCC=O 62a_100012094781_200015260668 [1,0,0,0,0,0|1,0,2]=4 1901 B10R0.71 C#CCCCCCSCC=O 62a_200015260668_100012094781 [1,0,0,0,0,0|1,0,2]=4 1902 B10R0.71 C#CCCCCCSCCC 62a_100000210303_100012094781 [1,0,0,0,0,0|2,0,1]=4 1903 B10R0.71 C#CCCCCCSCCC 62a_100012094781_100000210303 [1,0,0,0,0,0|2,0,1]=4 1904 B10R0.71 C#CCCCCNCCCC 2230a_100000102301_100010269958 [1,0,0,0,0,0|2,0,1]=4 1905 B10R0.71 C#CCCCCNCCCC 2230a_100000706060_100000210211 [1,0,0,0,0,0|2,0,1]=4 1906 B10R0.71 C#CCCCCNCCCC 34a_100000706060_100000210210 [1,0,0,0,0,0|2,0,1]=4 1907 B10R0.71 C#CCCCCNCCCC 7a_106832991798_100010269958 [1,0,0,0,0,0|2,0,1]=4 1908 B10R0.71 C#CCCCCOCCCC 34a_100000210227_100010269958 [1,0,0,0,0,0|2,0,1]=4 1909 B10R0.71 C#CCCCCOCCCC 34a_100000766709_100000210210 [1,0,0,0,0,0|2,0,1]=4 1910 B10R0.71 C#CCCCCOCCCC 7a_100000210227_100010269958 [1,0,0,0,0,0|2,0,1]=4 1911 B10R0.71 C#CCCCCOCCCC 7a_100000766709_100000210211 [1,0,0,0,0,0|2,0,1]=4 1912 B10R0.71 C#CCCCCSCCCC 62a_100000210211_100010269958 [1,0,0,0,0,0|2,0,1]=4 1913 B10R0.71 C#CCCCCSCCCC 62a_100010269958_100000210210 [1,0,0,0,0,0|2,0,1]=4 1914 B10R0.71 C#CCCCNCCCCC 2230a_100000209983_100000731252 [1,0,0,0,0,0|2,0,1]=4 1915 B10R0.71 C#CCCCNCCCCC 34a_100000718082_100000718602 [1,0,0,0,0,0|2,0,1]=4 1916 B10R0.71 C#CCCCOCCCC=O 7a_100000215630_200011292268 [1,0,0,0,0,0|1,0,2]=4 1917 B10R0.71 C#CCCCOCCCCC 34a_100000210253_100000695029 [1,0,0,0,0,0|2,0,1]=4 1918 B10R0.71 C#CCCCOCCCCC 34a_100000215630_100000718602 [1,0,0,0,0,0|2,0,1]=4 1919 B10R0.71 C#CCCCOCCCCC 7a_100000210253_100011215417 [1,0,0,0,0,0|2,0,1]=4 1920 B10R0.71 C#CCCCOCCCCC 7a_100000215630_100000210326 [1,0,0,0,0,0|2,0,1]=4 1921 B10R0.71 C#CCCCSCCCC=O 62a_100011215417_200011292268 [1,0,0,0,0,0|1,0,2]=4 1922 B10R0.71 C#CCCCSCCCC=O 62a_200011292268_100011215417 [1,0,0,0,0,0|1,0,2]=4 1923 B10R0.71 C#CCCCSCCCCC 62a_100000210326_100011215417 [1,0,0,0,0,0|2,0,1]=4 1924 B10R0.71 C#CCCCSCCCCC 62a_100011215417_100000210326 [1,0,0,0,0,0|2,0,1]=4 1925 B10R0.71 C#CCCNCCCCCC 2230a_100000210581_100000688953 [1,0,0,0,0,0|2,0,1]=4 1926 B10R0.71 C#CCCNCCCCCC 34a_100000755551_100000210314 [1,0,0,0,0,0|2,0,1]=4 1927 B10R0.71 C#CCCOCCCCCC 34a_100000210259_100000688953 [1,0,0,0,0,0|2,0,1]=4 1928 B10R0.71 C#CCCOCCCCCC 34a_100011215631_100000210314 [1,0,0,0,0,0|2,0,1]=4 1929 B10R0.71 C#CCCOCCCCCC 7a_100000210259_100000688953 [1,0,0,0,0,0|2,0,1]=4 1930 B10R0.71 C#CCCSCCCCC=O 62a_100000139335_100000688953 [1,0,0,0,0,0|1,0,2]=4 1931 B10R0.71 C#CCCSCCCCC=O 62a_100000688953_100000139335 [1,0,0,0,0,0|1,0,2]=4 1932 B10R0.71 C#CCCSCCCCCC 62a_100000210314_100000688953 [1,0,0,0,0,0|2,0,1]=4 1933 B10R0.71 C#CCCSCCCCCC 62a_100000688953_100000210757 [1,0,0,0,0,0|2,0,1]=4 1934 B10R0.71 C#CCNCCCCCCC 2230a_100000229938_100000038162 [1,0,0,0,0,0|2,0,1]=4 1935 B10R0.71 C#CCNCCCCCCC 34a_100000212058_100000210614 [1,0,0,0,0,0|2,0,1]=4 1936 B10R0.71 C#CCOCCCCCCC 34a_100000210247_100000210614 [1,0,0,0,0,0|2,0,1]=4 1937 B10R0.71 C#CCOCCCCCCC 34a_100000210272_100000184674 [1,0,0,0,0,0|2,0,1]=4 1938 B10R0.71 C#CCOCCCCCCC 7a_100000210272_100000038162 [1,0,0,0,0,0|2,0,1]=4 1939 B10R0.71 C#CCSCCCCCC=O 62a_100000038162_100000139337 [1,0,0,0,0,0|1,0,2]=4 1940 B10R0.71 C#CCSCCCCCCC 62a_100000038162_100000210316 [1,0,0,0,0,0|2,0,1]=4 1941 B10R0.71 C/C=C/CCOCCCCC 34a_100016278192_100000718602 [1,0,0,0,0,0|2,0,1]=4 1942 B10R0.71 C/C=C/COCCCCCC 34a_100000210259_100102629194 [1,0,0,0,0,0|2,0,1]=4 1943 B10R0.71 C/C=C/COCCCCCC 34a_100016270725_100000210314 [1,0,0,0,0,0|2,0,1]=4 1944 B10R0.71 C/C=C/COCCCCCC 7a_100000210259_100102629194 [1,0,0,0,0,0|2,0,1]=4 1945 B10R0.71 C/C=C/CSCCCCC=O 62a_100000139335_100102629194 [1,0,0,0,0,0|1,0,2]=4 1946 B10R0.71 C/C=C/CSCCCCC=O 62a_100102629194_100000139335 [1,0,0,0,0,0|1,0,2]=4 1947 B10R0.71 C/C=C/CSCCCCCC 62a_100000210314_100102629194 [1,0,0,0,0,0|2,0,1]=4 1948 B10R0.71 C/C=C/CSCCCCCC 62a_100102629194_100000210757 [1,0,0,0,0,0|2,0,1]=4 1949 B10R0.71 C=CCCCCCCCNC 2230a_106832991635_100012355270 [1,0,0,0,0,0|2,0,0]=3 1950 B10R0.71 C=CCCCCCCCNC 34a_100102657272_100012355270 [1,0,0,0,0,0|2,0,0]=3 1951 B10R0.71 C=CCCCCCCCNC 7a_106832991635_100012355270 [1,0,0,0,0,0|2,0,0]=3 1952 B10R0.71 C=CCCCCCCCOC 34a_100000730831_200000210301 [1,0,0,0,0,0|2,0,0]=3 1953 B10R0.71 C=CCCCCCCCOC 34a_100138415774_100012355270 [1,0,0,0,0,0|2,0,0]=3 1954 B10R0.71 C=CCCCCCCCOC 7a_100000730831_200000210301 [1,0,0,0,0,0|2,0,0]=3 1955 B10R0.71 C=CCCCCCCCO[13CH3] 34a_100000730831_200025704644 [1,0,0,0,0,0|2,0,0]=3 1956 B10R0.71 C=CCCCCCCCO[13CH3] 7a_100000730831_200025704644 [1,0,0,0,0,0|2,0,0]=3 1957 B10R0.71 C=CCCCCCCCSC 62a_100012355270_200000210301 [1,0,0,0,0,0|2,0,0]=3 1958 B10R0.71 C=CCCCCCCCSC 62a_200000210301_100012355270 [1,0,0,0,0,0|2,0,0]=3 1959 B10R0.71 C=CCCCCCCCS[13CH3] 62a_100012355270_200025704644 [1,0,0,0,0,0|2,0,0]=3 1960 B10R0.71 C=CCCCCCCCS[13CH3] 62a_200025704644_100012355270 [1,0,0,0,0,0|2,0,0]=3 1961 B10R0.71 C=CCCCCCCNCC 2230a_100015525214_100011215473 [1,0,0,0,0,0|2,0,0]=3 1962 B10R0.71 C=CCCCCCCOCC 34a_100121572206_100011215473 [1,0,0,0,0,0|2,0,0]=3 1963 B10R0.71 C=CCCCCCCOCC 34a_200011216477_100000210202 [1,0,0,0,0,0|2,0,0]=3 1964 B10R0.71 C=CCCCCCCOCC 7a_200011216477_100000210202 [1,0,0,0,0,0|2,0,0]=3 1965 B10R0.71 C=CCCCCCCOCF 34a_200011216477_100015361967 [1,0,0,0,0,0|3,0,0]=4 1966 B10R0.71 C=CCCCCCCOCF 7a_200011216477_100015361967 [1,0,0,0,0,0|3,0,0]=4 1967 B10R0.71 C=CCCCCCCSCC 62a_100000210202_100011215473 [1,0,0,0,0,0|2,0,0]=3 1968 B10R0.71 C=CCCCCCCSCC 62a_100011215473_100000210202 [1,0,0,0,0,0|2,0,0]=3 1969 B10R0.71 C=CCCCCCCSCF 62a_100011215473_100015361967 [1,0,0,0,0,0|3,0,0]=4 1970 B10R0.71 C=CCCCCCCSCF 62a_100015361967_100011215473 [1,0,0,0,0,0|3,0,0]=4 1971 B10R0.71 C=CCCCCCNCCF 34a_100000724931_100000700193 [1,0,0,0,0,0|3,0,0]=4 1972 B10R0.71 C=CCCCCCNCCO 2230a_100016997473_100000700193 [1,0,0,0,0,0|3,0,0]=4 1973 B10R0.71 C=CCCCCCNCCO 34a_100016990907_100000700193 [1,0,0,0,0,0|3,0,0]=4 1974 B10R0.71 C=CCCCCCOCC=O 34a_100011216702_200009817547 [1,0,0,0,0,0|1,0,2]=4 1975 B10R0.71 C=CCCCCCOCC=O 7a_100011216702_200015260668 [1,0,0,0,0,0|1,0,2]=4 1976 B10R0.71 C=CCCCCCOCCBr 34a_100000211926_100000700193 [1,0,0,0,0,0|3,0,0]=4 1977 B10R0.71 C=CCCCCCOCCC 34a_100000210258_100000700193 [1,0,0,0,0,0|2,0,0]=3 1978 B10R0.71 C=CCCCCCOCCC 34a_100011216702_100000210303 [1,0,0,0,0,0|2,0,0]=3 1979 B10R0.71 C=CCCCCCOCCC 7a_100011216702_100000210303 [1,0,0,0,0,0|2,0,0]=3 1980 B10R0.71 C=CCCCCCOCCF 34a_100011216702_100011217306 [1,0,0,0,0,0|3,0,0]=4 1981 B10R0.71 C=CCCCCCOCCF 7a_100011216702_100011217306 [1,0,0,0,0,0|3,0,0]=4 1982 B10R0.71 C=CCCCCCOCCN 34a_100000210304_100000700193 [1,0,0,0,0,0|3,0,0]=4 1983 B10R0.71 C=CCCCCCOCCO 34a_100011216702_100000211926 [1,0,0,0,0,0|3,0,0]=4 1984 B10R0.71 C=CCCCCCOCCO 7a_100011216702_100000211926 [1,0,0,0,0,0|3,0,0]=4 1985 B10R0.71 C=CCCCCCOCSC 34a_100011216702_100011218213 [1,0,0,0,0,0|3,0,0]=4 1986 B10R0.71 C=CCCCCCSCC=O 62a_100000700193_200015260668 [1,0,0,0,0,0|1,0,2]=4 1987 B10R0.71 C=CCCCCCSCC=O 62a_200015260668_100000700193 [1,0,0,0,0,0|1,0,2]=4 1988 B10R0.71 C=CCCCCCSCCC 62a_100000210303_100000700193 [1,0,0,0,0,0|2,0,0]=3 1989 B10R0.71 C=CCCCCCSCCC 62a_100000700193_100000210303 [1,0,0,0,0,0|2,0,0]=3 1990 B10R0.71 C=CCCCCCSCCF 62a_100000700193_100011217306 [1,0,0,0,0,0|3,0,0]=4 1991 B10R0.71 C=CCCCCCSCCF 62a_100011217306_100000700193 [1,0,0,0,0,0|3,0,0]=4 1992 B10R0.71 C=CCCCCCSCCO 62a_100000211926_100000700193 [1,0,0,0,0,0|3,0,0]=4 1993 B10R0.71 C=CCCCCCSCCO 62a_100000700193_100000211926 [1,0,0,0,0,0|3,0,0]=4 1994 B10R0.71 C=CCCCCCSCOC 62a_100000700193_100000766300 [1,0,0,0,0,0|3,0,0]=4 1995 B10R0.71 C=CCCCCCSCOC 62a_100000766300_100000700193 [1,0,0,0,0,0|3,0,0]=4 1996 B10R0.71 C=CCCCCCSCSC 62a_100000700193_100011218213 [1,0,0,0,0,0|3,0,0]=4 1997 B10R0.71 C=CCCCCCSCSC 62a_100011218213_100000700193 [1,0,0,0,0,0|3,0,0]=4 1998 B10R0.71 C=CCCCCNCCCC 2230a_100000102301_100011215482 [1,0,0,0,0,0|2,0,0]=3 1999 B10R0.71 C=CCCCCNCCCC 2230a_100000703577_100000210211 [1,0,0,0,0,0|2,0,0]=3 2000 B10R0.71 C=CCCCCNCCCC 34a_100000703577_100000210210 [1,0,0,0,0,0|2,0,0]=3 2001 B10R0.71 C=CCCCCNCCCC 7a_106832991798_100011215482 [1,0,0,0,0,0|2,0,0]=3 2002 B10R0.71 C=CCCCCNCCCF 2230a_100000703577_100011934791 [1,0,0,0,0,0|3,0,0]=4 2003 B10R0.71 C=CCCCCNCCCF 2230a_100015189416_100011215482 [1,0,0,0,0,0|3,0,0]=4 2004 B10R0.71 C=CCCCCNCCCF 34a_100000703577_100011934791 [1,0,0,0,0,0|3,0,0]=4 2005 B10R0.71 C=CCCCCNCCCF 34a_100015189416_100011215482 [1,0,0,0,0,0|3,0,0]=4 2006 B10R0.71 C=CCCCCNCCCO 2230a_100000703577_100000230001 [1,0,0,0,0,0|3,0,0]=4 2007 B10R0.71 C=CCCCCNCCCO 34a_100000703577_100000230001 [1,0,0,0,0,0|3,0,0]=4 2008 B10R0.71 C=CCCCCNCCOC 2230a_100000209980_100011215482 [1,0,0,0,0,0|3,0,0]=4 2009 B10R0.71 C=CCCCCNCCOC 2230a_100000703577_100011201679 [1,0,0,0,0,0|3,0,0]=4 2010 B10R0.71 C=CCCCCNCCOC 34a_100000703577_100011201679 [1,0,0,0,0,0|3,0,0]=4 2011 B10R0.71 C=CCCCCNCCSC 2230a_100000703577_100000751147 [1,0,0,0,0,0|3,0,0]=4 2012 B10R0.71 C=CCCCCNCCSC 2230a_100020590264_100011215482 [1,0,0,0,0,0|3,0,0]=4 2013 B10R0.71 C=CCCCCNCCSC 34a_100000703577_100000212216 [1,0,0,0,0,0|3,0,0]=4 2014 B10R0.71 C=CCCCCOCCCBr 34a_100011217188_100011215482 [1,0,0,0,0,0|3,0,0]=4 2015 B10R0.71 C=CCCCCOCCCC 34a_100000210227_100011215482 [1,0,0,0,0,0|2,0,0]=3 2016 B10R0.71 C=CCCCCOCCCC 34a_100000766645_100000210210 [1,0,0,0,0,0|2,0,0]=3 2017 B10R0.71 C=CCCCCOCCCC 7a_100000210227_100011215482 [1,0,0,0,0,0|2,0,0]=3 2018 B10R0.71 C=CCCCCOCCCC 7a_100000766645_100000210211 [1,0,0,0,0,0|2,0,0]=3 2019 B10R0.71 C=CCCCCOCCCCl 34a_100000230001_100011215482 [1,0,0,0,0,0|3,0,0]=4 2020 B10R0.71 C=CCCCCOCCCF 34a_100000759539_100011215482 [1,0,0,0,0,0|3,0,0]=4 2021 B10R0.71 C=CCCCCOCCCF 34a_100000766645_100011934791 [1,0,0,0,0,0|3,0,0]=4 2022 B10R0.71 C=CCCCCOCCCF 7a_100000766645_100011934791 [1,0,0,0,0,0|3,0,0]=4 2023 B10R0.71 C=CCCCCOCCCN 34a_100000182051_100011215482 [1,0,0,0,0,0|3,0,0]=4 2024 B10R0.71 C=CCCCCOCCCO 34a_100000766645_100000230001 [1,0,0,0,0,0|3,0,0]=4 2025 B10R0.71 C=CCCCCOCCCO 7a_100000766645_100011215043 [1,0,0,0,0,0|3,0,0]=4 2026 B10R0.71 C=CCCCCOCCOC 34a_100000210237_100011215482 [1,0,0,0,0,0|3,0,0]=4 2027 B10R0.71 C=CCCCCOCCOC 34a_100000766645_100011201679 [1,0,0,0,0,0|3,0,0]=4 2028 B10R0.71 C=CCCCCOCCOC 7a_100000766645_100000233755 [1,0,0,0,0,0|3,0,0]=4 2029 B10R0.71 C=CCCCCOCCSC 34a_100000230434_100011215482 [1,0,0,0,0,0|3,0,0]=4 2030 B10R0.71 C=CCCCCOCCSC 34a_100000766645_100000212216 [1,0,0,0,0,0|3,0,0]=4 2031 B10R0.71 C=CCCCCOCCSC 7a_100000230434_100011215482 [1,0,0,0,0,0|3,0,0]=4 2032 B10R0.71 C=CCCCCOCCSC 7a_100000766645_100000212216 [1,0,0,0,0,0|3,0,0]=4 2033 B10R0.71 C=CCCCCSCCCC 62a_100000210211_100011215482 [1,0,0,0,0,0|2,0,0]=3 2034 B10R0.71 C=CCCCCSCCCC 62a_100011215482_100000210210 [1,0,0,0,0,0|2,0,0]=3 2035 B10R0.71 C=CCCCCSCCCF 62a_100011215482_100011934791 [1,0,0,0,0,0|3,0,0]=4 2036 B10R0.71 C=CCCCCSCCCF 62a_100011934791_100011215482 [1,0,0,0,0,0|3,0,0]=4 2037 B10R0.71 C=CCCCCSCCCO 62a_100011215043_100011215482 [1,0,0,0,0,0|3,0,0]=4 2038 B10R0.71 C=CCCCCSCCCO 62a_100011215482_100011215043 [1,0,0,0,0,0|3,0,0]=4 2039 B10R0.71 C=CCCCCSCCOC 62a_100000233755_100011215482 [1,0,0,0,0,0|3,0,0]=4 2040 B10R0.71 C=CCCCCSCCOC 62a_100011215482_100000233755 [1,0,0,0,0,0|3,0,0]=4 2041 B10R0.71 C=CCCCCSCCSC 62a_100000212216_100011215482 [1,0,0,0,0,0|3,0,0]=4 2042 B10R0.71 C=CCCCCSCCSC 62a_100011215482_100000751147 [1,0,0,0,0,0|3,0,0]=4 2043 B10R0.71 C=CCCCCSCOCC 62a_100000739092_100011215482 [1,0,0,0,0,0|3,0,0]=4 2044 B10R0.71 C=CCCCCSCOCC 62a_100011215482_100000739092 [1,0,0,0,0,0|3,0,0]=4 2045 B10R0.71 C=CCCCNCCCC=O 2230a_100000700776_200011292268 [1,0,0,0,0,0|1,0,2]=4 2046 B10R0.71 C=CCCCNCCCCC 2230a_100000209983_100011713584 [1,0,0,0,0,0|2,0,0]=3 2047 B10R0.71 C=CCCCNCCCCC 2230a_100000700776_100000210326 [1,0,0,0,0,0|2,0,0]=3 2048 B10R0.71 C=CCCCNCCCCC 34a_100000700776_100000718602 [1,0,0,0,0,0|2,0,0]=3 2049 B10R0.71 C=CCCCNCCCCF 2230a_100000700776_100000729493 [1,0,0,0,0,0|3,0,0]=4 2050 B10R0.71 C=CCCCNCCCCF 34a_100000700776_100000729493 [1,0,0,0,0,0|3,0,0]=4 2051 B10R0.71 C=CCCCNCCCCO 2230a_100000700776_100000210776 [1,0,0,0,0,0|3,0,0]=4 2052 B10R0.71 C=CCCCNCCCCO 2230a_100000750430_100011713584 [1,0,0,0,0,0|3,0,0]=4 2053 B10R0.71 C=CCCCNCCCCO 34a_100000700776_100011216708 [1,0,0,0,0,0|3,0,0]=4 2054 B10R0.71 C=CCCCNCCCCO 34a_100000750430_100000757094 [1,0,0,0,0,0|3,0,0]=4 2055 B10R0.71 C=CCCCNCCCOC 2230a_100000700776_100000740836 [1,0,0,0,0,0|3,0,0]=4 2056 B10R0.71 C=CCCCNCCCOC 34a_100000700776_100000740836 [1,0,0,0,0,0|3,0,0]=4 2057 B10R0.71 C=CCCCNCCCOC 34a_100150723488_100000757094 [1,0,0,0,0,0|3,0,0]=4 2058 B10R0.71 C=CCCCNCCCSC 2230a_100000749238_100011713584 [1,0,0,0,0,0|3,0,0]=4 2059 B10R0.71 C=CCCCNCCOCC 2230a_100000700776_100011215890 [1,0,0,0,0,0|3,0,0]=4 2060 B10R0.71 C=CCCCNCCOCC 2230a_102516460346_100011713584 [1,0,0,0,0,0|3,0,0]=4 2061 B10R0.71 C=CCCCNCCOCC 34a_100000700776_100000210147 [1,0,0,0,0,0|3,0,0]=4 2062 B10R0.71 C=CCCCNCCOCC 34a_102516460346_100000757094 [1,0,0,0,0,0|3,0,0]=4 2063 B10R0.71 C=CCCCNCCSCC 2230a_100000106463_100011713584 [1,0,0,0,0,0|3,0,0]=4 2064 B10R0.71 C=CCCCNCCSCC 2230a_100000700776_100000757381 [1,0,0,0,0,0|3,0,0]=4 2065 B10R0.71 C=CCCCNCCSCC 34a_100000700776_100000757381 [1,0,0,0,0,0|3,0,0]=4 2066 B10R0.71 C=CCCCOCCCC=O 7a_100000758997_200011292268 [1,0,0,0,0,0|1,0,2]=4 2067 B10R0.71 C=CCCCOCCCCBr 34a_100011216708_100000757094 [1,0,0,0,0,0|3,0,0]=4 2068 B10R0.71 C=CCCCOCCCCC 34a_100000210253_100000757094 [1,0,0,0,0,0|2,0,0]=3 2069 B10R0.71 C=CCCCOCCCCC 34a_100000758997_100000718602 [1,0,0,0,0,0|2,0,0]=3 2070 B10R0.71 C=CCCCOCCCCC 7a_100000210253_100000757094 [1,0,0,0,0,0|2,0,0]=3 2071 B10R0.71 C=CCCCOCCCCC 7a_100000758997_100000210326 [1,0,0,0,0,0|2,0,0]=3 2072 B10R0.71 C=CCCCOCCCCCl 34a_100000210776_100000757094 [1,0,0,0,0,0|3,0,0]=4 2073 B10R0.71 C=CCCCOCCCCCl 7a_100000210776_100000757094 [1,0,0,0,0,0|3,0,0]=4 2074 B10R0.71 C=CCCCOCCCCF 34a_100000758997_100000729493 [1,0,0,0,0,0|3,0,0]=4 2075 B10R0.71 C=CCCCOCCCCF 34a_100011995726_100000757094 [1,0,0,0,0,0|3,0,0]=4 2076 B10R0.71 C=CCCCOCCCCF 7a_100000758997_100000729493 [1,0,0,0,0,0|3,0,0]=4 2077 B10R0.71 C=CCCCOCCCCF 7a_100011995726_100000757094 [1,0,0,0,0,0|3,0,0]=4 2078 B10R0.71 C=CCCCOCCCCI 34a_200012148704_100000757094 [1,0,0,0,0,0|3,0,0]=4 2079 B10R0.71 C=CCCCOCCCCN 34a_100000750430_100000757094 [1,0,0,0,0,0|3,0,0]=4 2080 B10R0.71 C=CCCCOCCCCO 34a_100000758997_100011216708 [1,0,0,0,0,0|3,0,0]=4 2081 B10R0.71 C=CCCCOCCCCO 7a_100000758997_100000210776 [1,0,0,0,0,0|3,0,0]=4 2082 B10R0.71 C=CCCCOCCCNC 34a_100000213112_100000757094 [1,0,0,0,0,0|3,0,0]=4 2083 B10R0.71 C=CCCCOCCCOC 34a_100000740835_100000757094 [1,0,0,0,0,0|3,0,0]=4 2084 B10R0.71 C=CCCCOCCCOC 34a_100000758997_100000740836 [1,0,0,0,0,0|3,0,0]=4 2085 B10R0.71 C=CCCCOCCCOC 7a_100000758997_100000740836 [1,0,0,0,0,0|3,0,0]=4 2086 B10R0.71 C=CCCCOCCCSC 34a_100000690336_100000757094 [1,0,0,0,0,0|3,0,0]=4 2087 B10R0.71 C=CCCCOCCCSC 7a_100000690336_100000757094 [1,0,0,0,0,0|3,0,0]=4 2088 B10R0.71 C=CCCCOCCOCC 34a_100000210136_100000757094 [1,0,0,0,0,0|3,0,0]=4 2089 B10R0.71 C=CCCCOCCOCC 34a_100000758997_100000210147 [1,0,0,0,0,0|3,0,0]=4 2090 B10R0.71 C=CCCCOCCOCC 7a_100000210136_100000757094 [1,0,0,0,0,0|3,0,0]=4 2091 B10R0.71 C=CCCCOCCOCC 7a_100000758997_100011215890 [1,0,0,0,0,0|3,0,0]=4 2092 B10R0.71 C=CCCCOCCSCC 34a_100000212035_100000757094 [1,0,0,0,0,0|3,0,0]=4 2093 B10R0.71 C=CCCCOCCSCC 34a_100000758997_100000757381 [1,0,0,0,0,0|3,0,0]=4 2094 B10R0.71 C=CCCCOCCSCC 7a_100000212035_100000757094 [1,0,0,0,0,0|3,0,0]=4 2095 B10R0.71 C=CCCCOCCSCC 7a_100000758997_100000757381 [1,0,0,0,0,0|3,0,0]=4 2096 B10R0.71 C=CCCCSCCCC=O 62a_100011713584_200011292268 [1,0,0,0,0,0|1,0,2]=4 2097 B10R0.71 C=CCCCSCCCC=O 62a_200011292268_100000757094 [1,0,0,0,0,0|1,0,2]=4 2098 B10R0.71 C=CCCCSCCCCC 62a_100000210326_100000757094 [1,0,0,0,0,0|2,0,0]=3 2099 B10R0.71 C=CCCCSCCCCC 62a_100011713584_100000210326 [1,0,0,0,0,0|2,0,0]=3 2100 B10R0.71 C=CCCCSCCCCF 62a_100000729493_100000757094 [1,0,0,0,0,0|3,0,0]=4 2101 B10R0.71 C=CCCCSCCCCF 62a_100011713584_100000729493 [1,0,0,0,0,0|3,0,0]=4 2102 B10R0.71 C=CCCCSCCCCO 62a_100000210776_100000757094 [1,0,0,0,0,0|3,0,0]=4 2103 B10R0.71 C=CCCCSCCCCO 62a_100011713584_100000210776 [1,0,0,0,0,0|3,0,0]=4 2104 B10R0.71 C=CCCCSCCCOC 62a_100000709357_100000757094 [1,0,0,0,0,0|3,0,0]=4 2105 B10R0.71 C=CCCCSCCCOC 62a_100011713584_100000709357 [1,0,0,0,0,0|3,0,0]=4 2106 B10R0.71 C=CCCCSCCOCC 62a_100000210147_100000757094 [1,0,0,0,0,0|3,0,0]=4 2107 B10R0.71 C=CCCCSCCOCC 62a_100011713584_100011215890 [1,0,0,0,0,0|3,0,0]=4 2108 B10R0.71 C=CCCCSCCSCC 62a_100000757381_100000757094 [1,0,0,0,0,0|3,0,0]=4 2109 B10R0.71 C=CCCCSCCSCC 62a_100011713584_100000757381 [1,0,0,0,0,0|3,0,0]=4 2110 B10R0.71 C=CCCNCCCCC=O 2230a_100015191253_100000139335 [1,0,0,0,0,0|1,0,2]=4 2111 B10R0.71 C=CCCNCCCCCC 2230a_100000210581_100000754431 [1,0,0,0,0,0|2,0,0]=3 2112 B10R0.71 C=CCCNCCCCCC 2230a_100015191253_100000210314 [1,0,0,0,0,0|2,0,0]=3 2113 B10R0.71 C=CCCNCCCCCF 2230a_100015191253_100000729378 [1,0,0,0,0,0|3,0,0]=4 2114 B10R0.71 C=CCCNCCCCCO 2230a_100000762737_100000754431 [1,0,0,0,0,0|3,0,0]=4 2115 B10R0.71 C=CCCNCCCCCO 2230a_100015191253_100000746330 [1,0,0,0,0,0|3,0,0]=4 2116 B10R0.71 C=CCCNCCCCCO 34a_100000762737_100000754431 [1,0,0,0,0,0|3,0,0]=4 2117 B10R0.71 C=CCCNCCCCOC 2230a_100015191253_100000730899 [1,0,0,0,0,0|3,0,0]=4 2118 B10R0.71 C=CCCNCCCOCC 2230a_100000210961_100000754431 [1,0,0,0,0,0|3,0,0]=4 2119 B10R0.71 C=CCCNCCCOCC 2230a_100015191253_100012232248 [1,0,0,0,0,0|3,0,0]=4 2120 B10R0.71 C=CCCNCCCOCC 34a_100000210961_100000754431 [1,0,0,0,0,0|3,0,0]=4 2121 B10R0.71 C=CCCNCCOCCC 2230a_100015191253_100011215938 [1,0,0,0,0,0|3,0,0]=4 2122 B10R0.71 C=CCCNCCOCCC 2230a_100161115042_100000754431 [1,0,0,0,0,0|3,0,0]=4 2123 B10R0.71 C=CCCNCCOCCC 34a_100161115042_100000754431 [1,0,0,0,0,0|3,0,0]=4 2124 B10R0.71 C=CCCNCCSCCC 2230a_100020603323_100000754431 [1,0,0,0,0,0|3,0,0]=4 2125 B10R0.71 C=CCCNCOCCCC 2230a_100015191253_100011995733 [1,0,0,0,0,0|3,0,0]=4 2126 B10R0.71 C=CCCOCCCCCBr 34a_100000746331_100000754431 [1,0,0,0,0,0|3,0,0]=4 2127 B10R0.71 C=CCCOCCCCCBr 7a_100000746331_100000754431 [1,0,0,0,0,0|3,0,0]=4 2128 B10R0.71 C=CCCOCCCCCC 34a_100000210259_100000754431 [1,0,0,0,0,0|2,0,0]=3 2129 B10R0.71 C=CCCOCCCCCC 34a_100011205117_100000210314 [1,0,0,0,0,0|2,0,0]=3 2130 B10R0.71 C=CCCOCCCCCC 7a_100000210259_100000754431 [1,0,0,0,0,0|2,0,0]=3 2131 B10R0.71 C=CCCOCCCCCCl 34a_100000746330_100000754431 [1,0,0,0,0,0|3,0,0]=4 2132 B10R0.71 C=CCCOCCCCCCl 7a_100000746330_100000754431 [1,0,0,0,0,0|3,0,0]=4 2133 B10R0.71 C=CCCOCCCCCF 34a_100011205117_100000729378 [1,0,0,0,0,0|3,0,0]=4 2134 B10R0.71 C=CCCOCCCCCI 34a_200012148887_100000754431 [1,0,0,0,0,0|3,0,0]=4 2135 B10R0.71 C=CCCOCCCCCI 7a_200012148887_100000754431 [1,0,0,0,0,0|3,0,0]=4 2136 B10R0.71 C=CCCOCCCCCN 34a_100000762737_100000754431 [1,0,0,0,0,0|3,0,0]=4 2137 B10R0.71 C=CCCOCCCCCO 34a_100011205117_100000746330 [1,0,0,0,0,0|3,0,0]=4 2138 B10R0.71 C=CCCOCCCCOC 34a_100000740925_100000754431 [1,0,0,0,0,0|3,0,0]=4 2139 B10R0.71 C=CCCOCCCCOC 34a_100011205117_100000755781 [1,0,0,0,0,0|3,0,0]=4 2140 B10R0.71 C=CCCOCCCCSC 34a_100011217163_100000754431 [1,0,0,0,0,0|3,0,0]=4 2141 B10R0.71 C=CCCOCCCCSC 7a_100011217163_100000754431 [1,0,0,0,0,0|3,0,0]=4 2142 B10R0.71 C=CCCOCCCOCC 34a_100000757476_100000754431 [1,0,0,0,0,0|3,0,0]=4 2143 B10R0.71 C=CCCOCCCOCC 34a_100011205117_100012232248 [1,0,0,0,0,0|3,0,0]=4 2144 B10R0.71 C=CCCOCCCOCC 7a_100000757476_100000754431 [1,0,0,0,0,0|3,0,0]=4 2145 B10R0.71 C=CCCOCCCSCC 34a_100011216438_100000754431 [1,0,0,0,0,0|3,0,0]=4 2146 B10R0.71 C=CCCOCCCSCC 7a_100011216438_100000754431 [1,0,0,0,0,0|3,0,0]=4 2147 B10R0.71 C=CCCOCCOCCC 34a_100000752267_100000754431 [1,0,0,0,0,0|3,0,0]=4 2148 B10R0.71 C=CCCOCCOCCC 34a_100011205117_100011215938 [1,0,0,0,0,0|3,0,0]=4 2149 B10R0.71 C=CCCOCCOCCC 7a_100000752267_100000754431 [1,0,0,0,0,0|3,0,0]=4 2150 B10R0.71 C=CCCOCCSCCC 34a_200000230433_100000754431 [1,0,0,0,0,0|3,0,0]=4 2151 B10R0.71 C=CCCOCCSCCC 7a_200000230433_100000754431 [1,0,0,0,0,0|3,0,0]=4 2152 B10R0.71 C=CCCOCOCCCC 34a_100011205117_100011995733 [1,0,0,0,0,0|3,0,0]=4 2153 B10R0.71 C=CCCSCCCCC=O 62a_100000139335_100000754431 [1,0,0,0,0,0|1,0,2]=4 2154 B10R0.71 C=CCCSCCCCC=O 62a_100000754431_100000139335 [1,0,0,0,0,0|1,0,2]=4 2155 B10R0.71 C=CCCSCCCCCC 62a_100000210314_100000754431 [1,0,0,0,0,0|2,0,0]=3 2156 B10R0.71 C=CCCSCCCCCC 62a_100000754431_100000210757 [1,0,0,0,0,0|2,0,0]=3 2157 B10R0.71 C=CCCSCCCCCF 62a_100000729378_100000754431 [1,0,0,0,0,0|3,0,0]=4 2158 B10R0.71 C=CCCSCCCCCF 62a_100000754431_100000729378 [1,0,0,0,0,0|3,0,0]=4 2159 B10R0.71 C=CCCSCCCCCO 62a_100000746330_100000754431 [1,0,0,0,0,0|3,0,0]=4 2160 B10R0.71 C=CCCSCCCCCO 62a_100000754431_100000746330 [1,0,0,0,0,0|3,0,0]=4 2161 B10R0.71 C=CCCSCCCCOC 62a_100000730899_100000754431 [1,0,0,0,0,0|3,0,0]=4 2162 B10R0.71 C=CCCSCCCCOC 62a_100000754431_100000730899 [1,0,0,0,0,0|3,0,0]=4 2163 B10R0.71 C=CCCSCCCOCC 62a_100000754431_100012232248 [1,0,0,0,0,0|3,0,0]=4 2164 B10R0.71 C=CCCSCCCOCC 62a_100012232248_100000754431 [1,0,0,0,0,0|3,0,0]=4 2165 B10R0.71 C=CCCSCCOCCC 62a_100000754431_100011215938 [1,0,0,0,0,0|3,0,0]=4 2166 B10R0.71 C=CCCSCCOCCC 62a_100011215938_100000754431 [1,0,0,0,0,0|3,0,0]=4 2167 B10R0.71 C=CCCSCOCCCC 62a_100000754431_100011995733 [1,0,0,0,0,0|3,0,0]=4 2168 B10R0.71 C=CCCSCOCCCC 62a_100011995733_100000754431 [1,0,0,0,0,0|3,0,0]=4 2169 B10R0.71 C=CCNCCCCCC=O 2230a_100020586998_100000139337 [1,0,0,0,0,0|1,0,2]=4 2170 B10R0.71 C=CCNCCCCCCC 2230a_100000229938_100000210623 [1,0,0,0,0,0|2,0,0]=3 2171 B10R0.71 C=CCNCCCCCCC 2230a_100020586998_100000210681 [1,0,0,0,0,0|2,0,0]=3 2172 B10R0.71 C=CCNCCCCCCF 2230a_100020586998_100015922095 [1,0,0,0,0,0|3,0,0]=4 2173 B10R0.71 C=CCNCCCCCCO 2230a_100000686447_100000210623 [1,0,0,0,0,0|3,0,0]=4 2174 B10R0.71 C=CCNCCCCCCO 2230a_100020586998_100000766143 [1,0,0,0,0,0|3,0,0]=4 2175 B10R0.71 C=CCNCCCCCCO 34a_100000686447_100015514636 [1,0,0,0,0,0|3,0,0]=4 2176 B10R0.71 C=CCNCCCCCOC 2230a_100000747528_100000210623 [1,0,0,0,0,0|3,0,0]=4 2177 B10R0.71 C=CCNCCCCCOC 34a_100000747528_100015514636 [1,0,0,0,0,0|3,0,0]=4 2178 B10R0.71 C=CCNCCCOCCC 2230a_100011217757_100000210623 [1,0,0,0,0,0|3,0,0]=4 2179 B10R0.71 C=CCNCCCOCCC 34a_100011217757_100015514636 [1,0,0,0,0,0|3,0,0]=4 2180 B10R0.71 C=CCNCCOCCCC 2230a_100020586998_100000743108 [1,0,0,0,0,0|3,0,0]=4 2181 B10R0.71 C=CCNCCSCCCC 2230a_100025743550_100000210623 [1,0,0,0,0,0|3,0,0]=4 2182 B10R0.71 C=CCOCCCCCCBr 34a_100011215345_100015514636 [1,0,0,0,0,0|3,0,0]=4 2183 B10R0.71 C=CCOCCCCCCBr 7a_100011215345_100015514636 [1,0,0,0,0,0|3,0,0]=4 2184 B10R0.71 C=CCOCCCCCCC 34a_100000210272_100015514636 [1,0,0,0,0,0|2,0,0]=3 2185 B10R0.71 C=CCOCCCCCCC 34a_200000210373_100000210614 [1,0,0,0,0,0|2,0,0]=3 2186 B10R0.71 C=CCOCCCCCCC 7a_100000210272_100015514636 [1,0,0,0,0,0|2,0,0]=3 2187 B10R0.71 C=CCOCCCCCCCl 34a_100000766143_100015514636 [1,0,0,0,0,0|3,0,0]=4 2188 B10R0.71 C=CCOCCCCCCCl 7a_100000766143_100015514636 [1,0,0,0,0,0|3,0,0]=4 2189 B10R0.71 C=CCOCCCCCCF 34a_100000732779_100015514636 [1,0,0,0,0,0|3,0,0]=4 2190 B10R0.71 C=CCOCCCCCCF 34a_200000210373_100015922095 [1,0,0,0,0,0|3,0,0]=4 2191 B10R0.71 C=CCOCCCCCCF 7a_100000732779_100015514636 [1,0,0,0,0,0|3,0,0]=4 2192 B10R0.71 C=CCOCCCCCCN 34a_100000686447_100015514636 [1,0,0,0,0,0|3,0,0]=4 2193 B10R0.71 C=CCOCCCCCCO 34a_200000210373_100000766143 [1,0,0,0,0,0|3,0,0]=4 2194 B10R0.71 C=CCOCCCCCNC 34a_100000722520_100015514636 [1,0,0,0,0,0|3,0,0]=4 2195 B10R0.71 C=CCOCCOCCCC 34a_100000037705_100000210210 [1,0,0,0,0,0|3,0,0]=4 2196 B10R0.71 C=CCOCCOCCCC 34a_100000210238_100015514636 [1,0,0,0,0,0|3,0,0]=4 2197 B10R0.71 C=CCOCCOCCCC 34a_200000210373_100000743108 [1,0,0,0,0,0|3,0,0]=4 2198 B10R0.71 C=CCOCCOCCCC 7a_100000037705_100000210211 [1,0,0,0,0,0|3,0,0]=4 2199 B10R0.71 C=CCOCCOCCCC 7a_100000210238_100015514636 [1,0,0,0,0,0|3,0,0]=4 2200 B10R0.71 C=CCOCCSCCCC 34a_200000230436_100015514636 [1,0,0,0,0,0|3,0,0]=4 2201 B10R0.71 C=CCOCCSCCCC 7a_200000230436_100015514636 [1,0,0,0,0,0|3,0,0]=4 2202 B10R0.71 C=CCSCCCCCC=O 62a_100000139337_100000210623 [1,0,0,0,0,0|1,0,2]=4 2203 B10R0.71 C=CCSCCCCCC=O 62a_100000210623_100000139337 [1,0,0,0,0,0|1,0,2]=4 2204 B10R0.71 C=CCSCCCCCCC 62a_100000210614_100000210623 [1,0,0,0,0,0|2,0,0]=3 2205 B10R0.71 C=CCSCCCCCCC 62a_100000210623_100000210316 [1,0,0,0,0,0|2,0,0]=3 2206 B10R0.71 C=CCSCCCCCCF 62a_100000210623_100015922095 [1,0,0,0,0,0|3,0,0]=4 2207 B10R0.71 C=CCSCCCCCCF 62a_100015922095_100000210623 [1,0,0,0,0,0|3,0,0]=4 2208 B10R0.71 C=CCSCCCCCCO 62a_100000210623_100000766143 [1,0,0,0,0,0|3,0,0]=4 2209 B10R0.71 C=CCSCCCCCCO 62a_100000766143_100000210623 [1,0,0,0,0,0|3,0,0]=4 2210 B10R0.71 C=CCSCCOCCCC 62a_100000210623_100000743108 [1,0,0,0,0,0|3,0,0]=4 2211 B10R0.71 C=CCSCCOCCCC 62a_100000743108_100000210623 [1,0,0,0,0,0|3,0,0]=4 2212 B10R0.71 C=COCCCCOCCC 34a_100000031558_100000210303 [1,0,0,0,0,0|3,0,0]=4 2213 B10R0.71 C=COCCCCOCCC 7a_100000031558_100000210303 [1,0,0,0,0,0|3,0,0]=4 2214 B10R0.71 C=COCCCNCCCC 2230a_100000210767_100000210211 [1,0,0,0,0,0|3,0,0]=4 2215 B10R0.71 C=COCCCNCCCC 34a_100000210767_100000210210 [1,0,0,0,0,0|3,0,0]=4 2216 B10R0.71 C=COCCNCCCCC 2230a_100000209983_100000039644 [1,0,0,0,0,0|3,0,0]=4 2217 B10R0.71 C=COCCOCCCCC 34a_100000033082_100000718602 [1,0,0,0,0,0|3,0,0]=4 2218 B10R0.71 C=COCCOCCCCC 34a_100000210253_100000039644 [1,0,0,0,0,0|3,0,0]=4 2219 B10R0.71 C=COCCOCCCCC 7a_100000210253_100000039644 [1,0,0,0,0,0|3,0,0]=4 2220 B10R0.71 C=COCCSCCCCC 62a_100000039644_100000210326 [1,0,0,0,0,0|3,0,0]=4 2221 B10R0.71 C=COCCSCCCCC 62a_100000210326_100000039644 [1,0,0,0,0,0|3,0,0]=4 2222 B10R0.71 CC#CCNCCCCC=O 2230a_100000685387_100000139335 [1,0,0,0,0,0|1,0,2]=4 2223 B10R0.71 CC#CCSCCCCC=O 62a_100000139335_100000748600 [1,0,0,0,0,0|1,0,2]=4 2224 B10R0.71 CC#CCSCCCCC=O 62a_100000748600_100000139335 [1,0,0,0,0,0|1,0,2]=4 2225 B10R0.71 CC/C=C/CCCOCC=O 34a_100016287902_200009817547 [1,0,0,0,0,0|1,0,2]=4 2226 B10R0.71 CC/C=C/CCCOCC=O 7a_100016287902_200015260668 [1,0,0,0,0,0|1,0,2]=4 2227 B10R0.71 CC/C=C\CSCCCC=O 62a_100103147603_200011292268 [1,0,0,0,0,0|1,0,2]=4 2228 B10R0.71 CC/C=C\CSCCCC=O 62a_200011292268_100103147603 [1,0,0,0,0,0|1,0,2]=4 2229 B10R0.71 CC=CCCCOCCCC 34a_100020645299_100000210210 [1,0,0,0,0,0|2,0,1]=4 2230 B10R0.71 CC=CCNCCCCCC 2230a_100000210581_100000070051 [1,0,0,0,0,0|2,0,1]=4 2231 B10R0.71 CC=CCOCCCCCC 34a_100000210259_100000070051 [1,0,0,0,0,0|2,0,1]=4 2232 B10R0.71 CC=CCOCCCCCC 7a_100000210259_100000070051 [1,0,0,0,0,0|2,0,1]=4 2233 B10R0.71 CC=CCSCCCCC=O 62a_100000070051_100000139335 [1,0,0,0,0,0|1,0,2]=4 2234 B10R0.71 CC=CCSCCCCC=O 62a_100000139335_100000070051 [1,0,0,0,0,0|1,0,2]=4 2235 B10R0.71 CC=CCSCCCCCC 62a_100000070051_100000210757 [1,0,0,0,0,0|2,0,1]=4 2236 B10R0.71 CC=CCSCCCCCC 62a_100000210314_100000070051 [1,0,0,0,0,0|2,0,1]=4 2237 B10R0.71 CCC#CCSCCCC=O 62a_100009813939_200011292268 [1,0,0,0,0,0|1,0,2]=4 2238 B10R0.71 CCC#CCSCCCC=O 62a_200011292268_100009813939 [1,0,0,0,0,0|1,0,2]=4 2239 B10R0.71 CCCC#CCCOCC=O 34a_100000042726_200009817547 [1,0,0,0,0,0|1,0,2]=4 2240 B10R0.71 CCCC#CCCOCC=O 7a_100000042726_200015260668 [1,0,0,0,0,0|1,0,2]=4 2241 B10R0.71 CCCC/C=C/COCC=O 34a_200016272032_200009817547 [1,0,0,0,0,0|1,0,2]=4 2242 B10R0.71 CCCC/C=C/COCC=O 7a_200016272032_200015260668 [1,0,0,0,0,0|1,0,2]=4 2243 B10R0.71 CCCCC#CCOCC=O 34a_200000034558_200009817547 [1,0,0,0,0,0|1,0,2]=4 2244 B10R0.71 CCCCC#CCOCC=O 7a_200000034558_200015260668 [1,0,0,0,0,0|1,0,2]=4 2245 B10R0.71 CCCCCCCCCNC 2230a_100000212291_200000210301 [1,0,0,0,0,0|2,0,0]=3 2246 B10R0.71 CCCCCCCCCNC 2230a_106832991635_100011214924 [1,0,0,0,0,0|2,0,0]=3 2247 B10R0.71 CCCCCCCCCNC 34a_100000212291_200000210301 [1,0,0,0,0,0|2,0,0]=3 2248 B10R0.71 CCCCCCCCCNC 34a_100102657272_100011214924 [1,0,0,0,0,0|2,0,0]=3 2249 B10R0.71 CCCCCCCCCNC 7a_106832991635_100000210328 [1,0,0,0,0,0|2,0,0]=3 2250 B10R0.71 CCCCCCCCCN[13CH3] 2230a_100000212291_200025704644 [1,0,0,0,0,0|2,0,0]=3 2251 B10R0.71 CCCCCCCCCN[13CH3] 34a_100000212291_200025704644 [1,0,0,0,0,0|2,0,0]=3 2252 B10R0.71 CCCCCCCCCOC 34a_100000210712_200000210301 [1,0,0,0,0,0|2,0,0]=3 2253 B10R0.71 CCCCCCCCCOC 34a_100138415774_100011214924 [1,0,0,0,0,0|2,0,0]=3 2254 B10R0.71 CCCCCCCCCOC 7a_100000210712_200000210301 [1,0,0,0,0,0|2,0,0]=3 2255 B10R0.71 CCCCCCCCCO[13CH3] 34a_100000210712_200025704644 [1,0,0,0,0,0|2,0,0]=3 2256 B10R0.71 CCCCCCCCCO[13CH3] 7a_100000210712_200025704644 [1,0,0,0,0,0|2,0,0]=3 2257 B10R0.71 CCCCCCCCCSC 62a_200000210301_100000210670 [1,0,0,0,0,0|2,0,0]=3 2258 B10R0.71 CCCCCCCCCS[13CH3] 62a_200025704644_100000210670 [1,0,0,0,0,0|2,0,0]=3 2259 B10R0.71 CCCCCCCCNCC 2230a_100000229939_100000210202 [1,0,0,0,0,0|2,0,1]=4 2260 B10R0.71 CCCCCCCCNCC 2230a_100015525214_100000210759 [1,0,0,0,0,0|2,0,1]=4 2261 B10R0.71 CCCCCCCCNCC 34a_100000229939_100000210202 [1,0,0,0,0,0|2,0,1]=4 2262 B10R0.71 CCCCCCCCNCF 34a_100000229939_100015361967 [1,0,0,0,0,0|2,0,1]=4 2263 B10R0.71 CCCCCCCCOCC 34a_100000210232_100000210202 [1,0,0,0,0,0|2,0,1]=4 2264 B10R0.71 CCCCCCCCOCC 34a_100121572206_100000210759 [1,0,0,0,0,0|2,0,1]=4 2265 B10R0.71 CCCCCCCCOCC 7a_100000210232_100000210202 [1,0,0,0,0,0|2,0,1]=4 2266 B10R0.71 CCCCCCCCOCF 34a_100000210232_100015361967 [1,0,0,0,0,0|2,0,1]=4 2267 B10R0.71 CCCCCCCCOCF 7a_100000210232_100015361967 [1,0,0,0,0,0|2,0,1]=4 2268 B10R0.71 CCCCCCCCSCC 62a_100000210202_100000210317 [1,0,0,0,0,0|2,0,1]=4 2269 B10R0.71 CCCCCCCCSCC 62a_100000210759_100000210202 [1,0,0,0,0,0|2,0,1]=4 2270 B10R0.71 CCCCCCCCSCF 62a_100000210759_100015361967 [1,0,0,0,0,0|2,0,1]=4 2271 B10R0.71 CCCCCCCCSCF 62a_100015361967_100000210317 [1,0,0,0,0,0|2,0,1]=4 2272 B10R0.71 CCCCCCCNCC#N 2230a_100000229938_100011215382 [1,0,0,0,0,0|2,0,1]=4 2273 B10R0.71 CCCCCCCNCC=O 2230a_100000229938_200015260668 [1,0,0,0,0,0|1,0,0]=2 2274 B10R0.71 CCCCCCCNCCC 2230a_100000229938_100000210303 [1,0,0,0,0,0|2,0,1]=4 2275 B10R0.71 CCCCCCCNCCF 2230a_100000229938_100011217306 [1,0,0,0,0,0|2,0,1]=4 2276 B10R0.71 CCCCCCCNCCF 34a_100000724931_100000210614 [1,0,0,0,0,0|2,0,1]=4 2277 B10R0.71 CCCCCCCNCCO 2230a_100000229938_100000211926 [1,0,0,0,0,0|1,0,1]=3 2278 B10R0.71 CCCCCCCNCCO 2230a_100016997473_100000210681 [1,0,0,0,0,0|1,0,1]=3 2279 B10R0.71 CCCCCCCNCCO 34a_100016990907_100000210614 [1,0,0,0,0,0|1,0,1]=3 2280 B10R0.71 CCCCCCCNCOC 2230a_100000229938_100000766300 [1,0,0,0,0,0|3,0,0]=4 2281 B10R0.71 CCCCCCCNCSC 2230a_100000229938_100011218213 [1,0,0,0,0,0|3,0,0]=4 2282 B10R0.71 CCCCCCCOCC#N 7a_100000210272_100011215382 [1,0,0,0,0,0|2,0,1]=4 2283 B10R0.71 CCCCCCCOCC=O 34a_100000210272_200009817547 [1,0,0,0,0,0|1,0,0]=2 2284 B10R0.71 CCCCCCCOCC=O 7a_100000210272_200015260668 [1,0,0,0,0,0|1,0,0]=2 2285 B10R0.71 CCCCCCCOCCBr 34a_100000211926_100000210614 [1,0,0,0,0,0|2,0,1]=4 2286 B10R0.71 CCCCCCCOCCC 34a_100000210258_100000210614 [1,0,0,0,0,0|2,0,1]=4 2287 B10R0.71 CCCCCCCOCCC 34a_100000210272_100000210303 [1,0,0,0,0,0|2,0,1]=4 2288 B10R0.71 CCCCCCCOCCC 7a_100000210272_100000210303 [1,0,0,0,0,0|2,0,1]=4 2289 B10R0.71 CCCCCCCOCCF 34a_100000210272_100011217306 [1,0,0,0,0,0|2,0,1]=4 2290 B10R0.71 CCCCCCCOCCF 7a_100000210272_100011217306 [1,0,0,0,0,0|2,0,1]=4 2291 B10R0.71 CCCCCCCOCCN 34a_100000210304_100000210614 [1,0,0,0,0,0|2,0,1]=4 2292 B10R0.71 CCCCCCCOCCO 34a_100000210272_100000211926 [1,0,0,0,0,0|1,0,1]=3 2293 B10R0.71 CCCCCCCOCCO 7a_100000210272_100000211926 [1,0,0,0,0,0|1,0,1]=3 2294 B10R0.71 CCCCCCCOCSC 34a_100000210272_100011218213 [1,0,0,0,0,0|3,0,0]=4 2295 B10R0.71 CCCCCCCSCC#N 62a_100000210614_100011215382 [1,0,0,0,0,0|2,0,1]=4 2296 B10R0.71 CCCCCCCSCC#N 62a_100011215382_100000210316 [1,0,0,0,0,0|2,0,1]=4 2297 B10R0.71 CCCCCCCSCC=O 62a_100000210614_200015260668 [1,0,0,0,0,0|1,0,0]=2 2298 B10R0.71 CCCCCCCSCC=O 62a_200015260668_100000210316 [1,0,0,0,0,0|1,0,0]=2 2299 B10R0.71 CCCCCCCSCCC 62a_100000210303_100000210316 [1,0,0,0,0,0|2,0,1]=4 2300 B10R0.71 CCCCCCCSCCC 62a_100000210614_100000210303 [1,0,0,0,0,0|2,0,1]=4 2301 B10R0.71 CCCCCCCSCCF 62a_100000210614_100011217306 [1,0,0,0,0,0|2,0,1]=4 2302 B10R0.71 CCCCCCCSCCF 62a_100011217306_100000210316 [1,0,0,0,0,0|2,0,1]=4 2303 B10R0.71 CCCCCCCSCCO 62a_100000210614_100000211926 [1,0,0,0,0,0|1,0,1]=3 2304 B10R0.71 CCCCCCCSCCO 62a_100000211926_100000210316 [1,0,0,0,0,0|1,0,1]=3 2305 B10R0.71 CCCCCCCSCOC 62a_100000210614_100000766300 [1,0,0,0,0,0|3,0,0]=4 2306 B10R0.71 CCCCCCCSCOC 62a_100000766300_100000210316 [1,0,0,0,0,0|3,0,0]=4 2307 B10R0.71 CCCCCCCSCSC 62a_100000210614_100011218213 [1,0,0,0,0,0|3,0,0]=4 2308 B10R0.71 CCCCCCCSCSC 62a_100011218213_100000210316 [1,0,0,0,0,0|3,0,0]=4 2309 B10R0.71 CCCCCCNCCC#N 2230a_100000210581_100011215226 [1,0,0,0,0,0|2,0,1]=4 2310 B10R0.71 CCCCCCNCCCC 2230a_100000102301_100000210314 [1,0,0,0,0,0|2,0,1]=4 2311 B10R0.71 CCCCCCNCCCC 2230a_100000210581_100000210211 [1,0,0,0,0,0|2,0,1]=4 2312 B10R0.71 CCCCCCNCCCC 7a_106832991798_100000210314 [1,0,0,0,0,0|2,0,1]=4 2313 B10R0.71 CCCCCCNCCCF 2230a_100000210581_100011934791 [1,0,0,0,0,0|2,0,1]=4 2314 B10R0.71 CCCCCCNCCCF 2230a_100015189416_100000210314 [1,0,0,0,0,0|2,0,1]=4 2315 B10R0.71 CCCCCCNCCCF 34a_100015189416_100000210314 [1,0,0,0,0,0|2,0,1]=4 2316 B10R0.71 CCCCCCNCCCO 2230a_100000210581_100000230001 [1,0,0,0,0,0|1,0,1]=3 2317 B10R0.71 CCCCCCNCCOC 2230a_100000209980_100000210314 [1,0,0,0,0,0|3,0,0]=4 2318 B10R0.71 CCCCCCNCCOC 2230a_100000210581_100011201679 [1,0,0,0,0,0|3,0,0]=4 2319 B10R0.71 CCCCCCNCCSC 2230a_100000210581_100000751147 [1,0,0,0,0,0|3,0,0]=4 2320 B10R0.71 CCCCCCNCCSC 2230a_100020590264_100000210314 [1,0,0,0,0,0|3,0,0]=4 2321 B10R0.71 CCCCCCOCCC#N 7a_100000210259_100000184422 [1,0,0,0,0,0|2,0,1]=4 2322 B10R0.71 CCCCCCOCCCBr 34a_100011217188_100000210314 [1,0,0,0,0,0|2,0,1]=4 2323 B10R0.71 CCCCCCOCCCC 34a_100000210227_100000210314 [1,0,0,0,0,0|2,0,1]=4 2324 B10R0.71 CCCCCCOCCCC 34a_100000210259_100000210210 [1,0,0,0,0,0|2,0,1]=4 2325 B10R0.71 CCCCCCOCCCC 7a_100000210227_100000210314 [1,0,0,0,0,0|2,0,1]=4 2326 B10R0.71 CCCCCCOCCCC 7a_100000210259_100000210211 [1,0,0,0,0,0|2,0,1]=4 2327 B10R0.71 CCCCCCOCCCCl 34a_100000230001_100000210314 [1,0,0,0,0,0|2,0,1]=4 2328 B10R0.71 CCCCCCOCCCF 34a_100000210259_100011934791 [1,0,0,0,0,0|2,0,1]=4 2329 B10R0.71 CCCCCCOCCCF 34a_100000759539_100000210314 [1,0,0,0,0,0|2,0,1]=4 2330 B10R0.71 CCCCCCOCCCF 7a_100000210259_100011934791 [1,0,0,0,0,0|2,0,1]=4 2331 B10R0.71 CCCCCCOCCCN 34a_100000182051_100000210314 [1,0,0,0,0,0|2,0,1]=4 2332 B10R0.71 CCCCCCOCCCO 34a_100000210259_100000230001 [1,0,0,0,0,0|1,0,1]=3 2333 B10R0.71 CCCCCCOCCCO 7a_100000210259_100011215043 [1,0,0,0,0,0|1,0,1]=3 2334 B10R0.71 CCCCCCOCCOC 34a_100000210237_100000210314 [1,0,0,0,0,0|3,0,0]=4 2335 B10R0.71 CCCCCCOCCOC 34a_100000210259_100011201679 [1,0,0,0,0,0|3,0,0]=4 2336 B10R0.71 CCCCCCOCCOC 34a_100000691444_200000210301 [1,0,0,0,0,0|3,0,0]=4 2337 B10R0.71 CCCCCCOCCOC 7a_100000210259_100000233755 [1,0,0,0,0,0|3,0,0]=4 2338 B10R0.71 CCCCCCOCCOC 7a_100000691444_200000210301 [1,0,0,0,0,0|3,0,0]=4 2339 B10R0.71 CCCCCCOCCON 34a_100000700252_100000210314 [1,0,0,0,0,0|3,0,0]=4 2340 B10R0.71 CCCCCCOCCO[13CH3] 34a_100000691444_200025704644 [1,0,0,0,0,0|3,0,0]=4 2341 B10R0.71 CCCCCCOCCO[13CH3] 7a_100000691444_200025704644 [1,0,0,0,0,0|3,0,0]=4 2342 B10R0.71 CCCCCCOCCSC 34a_100000210259_100000212216 [1,0,0,0,0,0|3,0,0]=4 2343 B10R0.71 CCCCCCOCCSC 34a_100000230434_100000210314 [1,0,0,0,0,0|3,0,0]=4 2344 B10R0.71 CCCCCCOCCSC 7a_100000210259_100000212216 [1,0,0,0,0,0|3,0,0]=4 2345 B10R0.71 CCCCCCOCCSC 7a_100000230434_100000210314 [1,0,0,0,0,0|3,0,0]=4 2346 B10R0.71 CCCCCCSCCC#N 62a_100000210314_100011215226 [1,0,0,0,0,0|2,0,1]=4 2347 B10R0.71 CCCCCCSCCC#N 62a_100011215226_100000210757 [1,0,0,0,0,0|2,0,1]=4 2348 B10R0.71 CCCCCCSCCCC 62a_100000210211_100000210757 [1,0,0,0,0,0|2,0,1]=4 2349 B10R0.71 CCCCCCSCCCC 62a_100000210314_100000210210 [1,0,0,0,0,0|2,0,1]=4 2350 B10R0.71 CCCCCCSCCCF 62a_100000210314_100011934791 [1,0,0,0,0,0|2,0,1]=4 2351 B10R0.71 CCCCCCSCCCF 62a_100011934791_100000210757 [1,0,0,0,0,0|2,0,1]=4 2352 B10R0.71 CCCCCCSCCCO 62a_100000210314_100011215043 [1,0,0,0,0,0|1,0,1]=3 2353 B10R0.71 CCCCCCSCCCO 62a_100011215043_100000210757 [1,0,0,0,0,0|1,0,1]=3 2354 B10R0.71 CCCCCCSCCOC 62a_100000210314_100000233755 [1,0,0,0,0,0|3,0,0]=4 2355 B10R0.71 CCCCCCSCCOC 62a_100000233755_100000210757 [1,0,0,0,0,0|3,0,0]=4 2356 B10R0.71 CCCCCCSCCSC 62a_100000210314_100000751147 [1,0,0,0,0,0|3,0,0]=4 2357 B10R0.71 CCCCCCSCCSC 62a_100000212216_100000210757 [1,0,0,0,0,0|3,0,0]=4 2358 B10R0.71 CCCCCNCCCC#N 2230a_100000209983_100000687738 [1,0,0,0,0,0|2,0,1]=4 2359 B10R0.71 CCCCCNCCCC=O 2230a_100000209983_200011292268 [1,0,0,0,0,0|1,0,0]=2 2360 B10R0.71 CCCCCNCCCCC 2230a_100000209983_100000210326 [1,0,0,0,0,0|2,0,1]=4 2361 B10R0.71 CCCCCNCCCCF 2230a_100000209983_100000729493 [1,0,0,0,0,0|2,0,1]=4 2362 B10R0.71 CCCCCNCCCCO 2230a_100000209983_100000210776 [1,0,0,0,0,0|1,0,1]=3 2363 B10R0.71 CCCCCNCCCCO 2230a_100000750430_100000210326 [1,0,0,0,0,0|1,0,1]=3 2364 B10R0.71 CCCCCNCCCCO 34a_100000750430_100000718602 [1,0,0,0,0,0|1,0,1]=3 2365 B10R0.71 CCCCCNCCCOC 2230a_100000209983_100000740836 [1,0,0,0,0,0|3,0,0]=4 2366 B10R0.71 CCCCCNCCCOC 34a_100150723488_100000718602 [1,0,0,0,0,0|3,0,0]=4 2367 B10R0.71 CCCCCNCCCSC 2230a_100000749238_100000210326 [1,0,0,0,0,0|3,0,0]=4 2368 B10R0.71 CCCCCOCCCC#N 7a_100000210253_100000687738 [1,0,0,0,0,0|2,0,1]=4 2369 B10R0.71 CCCCCOCCCC=O 7a_100000210253_200011292268 [1,0,0,0,0,0|1,0,0]=2 2370 B10R0.71 CCCCCOCCCCBr 34a_100011216708_100000718602 [1,0,0,0,0,0|2,0,1]=4 2371 B10R0.71 CCCCCOCCCCC 34a_100000210253_100000718602 [1,0,0,0,0,0|2,0,1]=4 2372 B10R0.71 CCCCCOCCCCC 7a_100000210253_100000210326 [1,0,0,0,0,0|2,0,1]=4 2373 B10R0.71 CCCCCOCCCCCl 34a_100000210776_100000718602 [1,0,0,0,0,0|2,0,1]=4 2374 B10R0.71 CCCCCOCCCCCl 7a_100000210776_100000210326 [1,0,0,0,0,0|2,0,1]=4 2375 B10R0.71 CCCCCOCCCCF 34a_100000210253_100000729493 [1,0,0,0,0,0|2,0,1]=4 2376 B10R0.71 CCCCCOCCCCF 34a_100011995726_100000718602 [1,0,0,0,0,0|2,0,1]=4 2377 B10R0.71 CCCCCOCCCCF 7a_100000210253_100000729493 [1,0,0,0,0,0|2,0,1]=4 2378 B10R0.71 CCCCCOCCCCF 7a_100011995726_100000210326 [1,0,0,0,0,0|2,0,1]=4 2379 B10R0.71 CCCCCOCCCCI 34a_200012148704_100000718602 [1,0,0,0,0,0|2,0,1]=4 2380 B10R0.71 CCCCCOCCCCN 34a_100000750430_100000718602 [1,0,0,0,0,0|2,0,1]=4 2381 B10R0.71 CCCCCOCCCCO 34a_100000210253_100011216708 [1,0,0,0,0,0|1,0,1]=3 2382 B10R0.71 CCCCCOCCCCO 7a_100000210253_100000210776 [1,0,0,0,0,0|1,0,1]=3 2383 B10R0.71 CCCCCOCCCNC 34a_100000213112_100000718602 [1,0,0,0,0,0|3,0,0]=4 2384 B10R0.71 CCCCCOCCCOC 34a_100000210253_100000740836 [1,0,0,0,0,0|3,0,0]=4 2385 B10R0.71 CCCCCOCCCOC 34a_100000740835_100000718602 [1,0,0,0,0,0|3,0,0]=4 2386 B10R0.71 CCCCCOCCCOC 7a_100000210253_100000740836 [1,0,0,0,0,0|3,0,0]=4 2387 B10R0.71 CCCCCOCCCSC 34a_100000690336_100000718602 [1,0,0,0,0,0|3,0,0]=4 2388 B10R0.71 CCCCCOCCCSC 7a_100000690336_100000210326 [1,0,0,0,0,0|3,0,0]=4 2389 B10R0.71 CCCCCSCCCC#N 62a_100000210326_100000687738 [1,0,0,0,0,0|2,0,1]=4 2390 B10R0.71 CCCCCSCCCC#N 62a_100000687738_100000210326 [1,0,0,0,0,0|2,0,1]=4 2391 B10R0.71 CCCCCSCCCC=O 62a_100000210326_200011292268 [1,0,0,0,0,0|1,0,0]=2 2392 B10R0.71 CCCCCSCCCC=O 62a_200011292268_100000210326 [1,0,0,0,0,0|1,0,0]=2 2393 B10R0.71 CCCCCSCCCCC 62a_100000210326_100000210326 [1,0,0,0,0,0|2,0,1]=4 2394 B10R0.71 CCCCCSCCCCF 62a_100000210326_100000729493 [1,0,0,0,0,0|2,0,1]=4 2395 B10R0.71 CCCCCSCCCCF 62a_100000729493_100000210326 [1,0,0,0,0,0|2,0,1]=4 2396 B10R0.71 CCCCCSCCCCO 62a_100000210326_100000210776 [1,0,0,0,0,0|1,0,1]=3 2397 B10R0.71 CCCCCSCCCCO 62a_100000210776_100000210326 [1,0,0,0,0,0|1,0,1]=3 2398 B10R0.71 CCCCCSCCCOC 62a_100000210326_100000709357 [1,0,0,0,0,0|3,0,0]=4 2399 B10R0.71 CCCCCSCCCOC 62a_100000709357_100000210326 [1,0,0,0,0,0|3,0,0]=4 2400 B10R0.71 CCCCNCCCCC#N 2230a_100000102301_100000211819 [1,0,0,0,0,0|2,0,1]=4 2401 B10R0.71 CCCCNCCCCC#N 7a_106832991798_100000211819 [1,0,0,0,0,0|2,0,1]=4 2402 B10R0.71 CCCCNCCCCC=O 2230a_100000102301_100000139335 [1,0,0,0,0,0|1,0,0]=2 2403 B10R0.71 CCCCNCCCCC=O 7a_106832991798_100000139335 [1,0,0,0,0,0|1,0,0]=2 2404 B10R0.71 CCCCNCCCCCF 2230a_100000102301_100000729378 [1,0,0,0,0,0|2,0,1]=4 2405 B10R0.71 CCCCNCCCCCF 7a_106832991798_100000729378 [1,0,0,0,0,0|2,0,1]=4 2406 B10R0.71 CCCCNCCCCCO 2230a_100000102301_100000746330 [1,0,0,0,0,0|1,0,1]=3 2407 B10R0.71 CCCCNCCCCCO 2230a_100000762737_100000210211 [1,0,0,0,0,0|1,0,1]=3 2408 B10R0.71 CCCCNCCCCCO 34a_100000762737_100000210210 [1,0,0,0,0,0|1,0,1]=3 2409 B10R0.71 CCCCNCCCCCO 7a_106832991798_100000746330 [1,0,0,0,0,0|1,0,1]=3 2410 B10R0.71 CCCCNCCCCOC 2230a_100000102301_100000730899 [1,0,0,0,0,0|3,0,0]=4 2411 B10R0.71 CCCCNCCCCOC 34a_200011216965_200000210301 [1,0,0,0,0,0|3,0,0]=4 2412 B10R0.71 CCCCNCCCCOC 7a_106832991798_100000730899 [1,0,0,0,0,0|3,0,0]=4 2413 B10R0.71 CCCCNCCCCO[13CH3] 34a_200011216965_200025704644 [1,0,0,0,0,0|3,0,0]=4 2414 B10R0.71 CCCCNCCOCCO 2230a_100000102301_100011215305 [1,0,0,0,0,0|2,0,1]=4 2415 B10R0.71 CCCCNCCOCCO 2230a_100000211614_100000210211 [1,0,0,0,0,0|2,0,1]=4 2416 B10R0.71 CCCCNCCOCCO 34a_100000211614_100000210210 [1,0,0,0,0,0|2,0,1]=4 2417 B10R0.71 CCCCNCCOCCO 7a_106832991798_100011215305 [1,0,0,0,0,0|2,0,1]=4 2418 B10R0.71 CCCCNCCSCCO 2230a_100011219999_100000210211 [1,0,0,0,0,0|2,0,1]=4 2419 B10R0.71 CCCCOCCCCC#N 7a_100000210227_100000211819 [1,0,0,0,0,0|2,0,1]=4 2420 B10R0.71 CCCCOCCCCC=O 7a_100000210227_100000139335 [1,0,0,0,0,0|1,0,0]=2 2421 B10R0.71 CCCCOCCCCCBr 34a_100000746331_100000210210 [1,0,0,0,0,0|2,0,1]=4 2422 B10R0.71 CCCCOCCCCCBr 7a_100000746331_100000210211 [1,0,0,0,0,0|2,0,1]=4 2423 B10R0.71 CCCCOCCCCCCl 34a_100000746330_100000210210 [1,0,0,0,0,0|2,0,1]=4 2424 B10R0.71 CCCCOCCCCCCl 7a_100000746330_100000210211 [1,0,0,0,0,0|2,0,1]=4 2425 B10R0.71 CCCCOCCCCCF 34a_100000210227_100000729378 [1,0,0,0,0,0|2,0,1]=4 2426 B10R0.71 CCCCOCCCCCF 7a_100000210227_100000729378 [1,0,0,0,0,0|2,0,1]=4 2427 B10R0.71 CCCCOCCCCCI 34a_200012148887_100000210210 [1,0,0,0,0,0|2,0,1]=4 2428 B10R0.71 CCCCOCCCCCI 7a_200012148887_100000210211 [1,0,0,0,0,0|2,0,1]=4 2429 B10R0.71 CCCCOCCCCCN 34a_100000762737_100000210210 [1,0,0,0,0,0|2,0,1]=4 2430 B10R0.71 CCCCOCCCCCO 34a_100000210227_100000746330 [1,0,0,0,0,0|1,0,1]=3 2431 B10R0.71 CCCCOCCCCCO 7a_100000210227_100000746330 [1,0,0,0,0,0|1,0,1]=3 2432 B10R0.71 CCCCOCCCCOC 34a_100000210227_100000755781 [1,0,0,0,0,0|3,0,0]=4 2433 B10R0.71 CCCCOCCCCOC 34a_100000740925_100000210210 [1,0,0,0,0,0|3,0,0]=4 2434 B10R0.71 CCCCOCCCCOC 34a_200000760531_200000210301 [1,0,0,0,0,0|3,0,0]=4 2435 B10R0.71 CCCCOCCCCOC 7a_100000210227_100000730899 [1,0,0,0,0,0|3,0,0]=4 2436 B10R0.71 CCCCOCCCCOC 7a_200000760531_200000210301 [1,0,0,0,0,0|3,0,0]=4 2437 B10R0.71 CCCCOCCCCO[13CH3] 34a_200000760531_200025704644 [1,0,0,0,0,0|3,0,0]=4 2438 B10R0.71 CCCCOCCCCO[13CH3] 7a_200000760531_200025704644 [1,0,0,0,0,0|3,0,0]=4 2439 B10R0.71 CCCCOCCCCSC 34a_100011217163_100000210210 [1,0,0,0,0,0|3,0,0]=4 2440 B10R0.71 CCCCOCCCCSC 7a_100011217163_100000210211 [1,0,0,0,0,0|3,0,0]=4 2441 B10R0.71 CCCCOCCNCCO 2230a_100016997473_100000743108 [1,0,0,0,0,0|2,0,1]=4 2442 B10R0.71 CCCCOCCNCCO 34a_100016990907_100000743108 [1,0,0,0,0,0|2,0,1]=4 2443 B10R0.71 CCCCOCCOCC=O 34a_100000210238_200009817547 [1,0,0,0,0,0|2,0,0]=3 2444 B10R0.71 CCCCOCCOCC=O 7a_100000210238_200015260668 [1,0,0,0,0,0|2,0,0]=3 2445 B10R0.71 CCCCOCCOCCO 34a_100000210227_100000692535 [1,0,0,0,0,0|2,0,1]=4 2446 B10R0.71 CCCCOCCOCCO 34a_100000210238_100000211926 [1,0,0,0,0,0|2,0,1]=4 2447 B10R0.71 CCCCOCCOCCO 7a_100000210227_100011215305 [1,0,0,0,0,0|2,0,1]=4 2448 B10R0.71 CCCCOCCOCCO 7a_100000210238_100000211926 [1,0,0,0,0,0|2,0,1]=4 2449 B10R0.71 CCCCOCCSCC=O 62a_100000743108_200015260668 [1,0,0,0,0,0|2,0,0]=3 2450 B10R0.71 CCCCOCCSCC=O 62a_200015260668_100000743108 [1,0,0,0,0,0|2,0,0]=3 2451 B10R0.71 CCCCOCCSCCO 62a_100000211926_100000743108 [1,0,0,0,0,0|2,0,1]=4 2452 B10R0.71 CCCCOCCSCCO 62a_100000743108_100000211926 [1,0,0,0,0,0|2,0,1]=4 2453 B10R0.71 CCCCOCSCCCO 62a_100011215043_100011995733 [1,0,0,0,0,0|2,0,1]=4 2454 B10R0.71 CCCCOCSCCCO 62a_100011995733_100011215043 [1,0,0,0,0,0|2,0,1]=4 2455 B10R0.71 CCCCSCCCCC#N 62a_100000210211_100000211819 [1,0,0,0,0,0|2,0,1]=4 2456 B10R0.71 CCCCSCCCCC#N 62a_100011219923_100000210210 [1,0,0,0,0,0|2,0,1]=4 2457 B10R0.71 CCCCSCCCCC=O 62a_100000139335_100000210210 [1,0,0,0,0,0|1,0,0]=2 2458 B10R0.71 CCCCSCCCCC=O 62a_100000210211_100000139335 [1,0,0,0,0,0|1,0,0]=2 2459 B10R0.71 CCCCSCCCCCF 62a_100000210211_100000729378 [1,0,0,0,0,0|2,0,1]=4 2460 B10R0.71 CCCCSCCCCCF 62a_100000729378_100000210210 [1,0,0,0,0,0|2,0,1]=4 2461 B10R0.71 CCCCSCCCCCO 62a_100000210211_100000746330 [1,0,0,0,0,0|1,0,1]=3 2462 B10R0.71 CCCCSCCCCCO 62a_100000746330_100000210210 [1,0,0,0,0,0|1,0,1]=3 2463 B10R0.71 CCCCSCCCCOC 62a_100000210211_100000730899 [1,0,0,0,0,0|3,0,0]=4 2464 B10R0.71 CCCCSCCCCOC 62a_100000730899_100000210210 [1,0,0,0,0,0|3,0,0]=4 2465 B10R0.71 CCCCSCCNCC=O 2230a_100025743550_200015260668 [1,0,0,0,0,0|2,0,0]=3 2466 B10R0.71 CCCCSCCNCCO 2230a_100025743550_100000211926 [1,0,0,0,0,0|2,0,1]=4 2467 B10R0.71 CCCCSCCOCC=O 34a_200000230436_200009817547 [1,0,0,0,0,0|2,0,0]=3 2468 B10R0.71 CCCCSCCOCC=O 7a_200000230436_200015260668 [1,0,0,0,0,0|2,0,0]=3 2469 B10R0.71 CCCCSCCOCCO 34a_200000230436_100000211926 [1,0,0,0,0,0|2,0,1]=4 2470 B10R0.71 CCCCSCCOCCO 62a_100000210211_100011215305 [1,0,0,0,0,0|2,0,1]=4 2471 B10R0.71 CCCCSCCOCCO 62a_100011215305_100000210210 [1,0,0,0,0,0|2,0,1]=4 2472 B10R0.71 CCCCSCCOCCO 7a_200000230436_100000211926 [1,0,0,0,0,0|2,0,1]=4 2473 B10R0.71 CCCNCCCCCCO 2230a_100000686447_100000210303 [1,0,0,0,0,0|1,0,1]=3 2474 B10R0.71 CCCNCCCCCCO 34a_100000686447_100000210303 [1,0,0,0,0,0|1,0,1]=3 2475 B10R0.71 CCCNCCCCCOC 2230a_100000747528_100000210303 [1,0,0,0,0,0|3,0,0]=4 2476 B10R0.71 CCCNCCCCCOC 34a_100000747528_100000210303 [1,0,0,0,0,0|3,0,0]=4 2477 B10R0.71 CCCOCCCCCCBr 34a_100011215345_100000210303 [1,0,0,0,0,0|2,0,1]=4 2478 B10R0.71 CCCOCCCCCCBr 7a_100011215345_100000210303 [1,0,0,0,0,0|2,0,1]=4 2479 B10R0.71 CCCOCCCCCCCl 34a_100000766143_100000210303 [1,0,0,0,0,0|2,0,1]=4 2480 B10R0.71 CCCOCCCCCCCl 7a_100000766143_100000210303 [1,0,0,0,0,0|2,0,1]=4 2481 B10R0.71 CCCOCCCCCCF 34a_100000210258_100015922095 [1,0,0,0,0,0|2,0,1]=4 2482 B10R0.71 CCCOCCCCCCF 34a_100000732779_100000210303 [1,0,0,0,0,0|2,0,1]=4 2483 B10R0.71 CCCOCCCCCCF 7a_100000732779_100000210303 [1,0,0,0,0,0|2,0,1]=4 2484 B10R0.71 CCCOCCCCCCN 34a_100000686447_100000210303 [1,0,0,0,0,0|2,0,1]=4 2485 B10R0.71 CCCOCCCCCCO 34a_100000210258_100000766143 [1,0,0,0,0,0|1,0,1]=3 2486 B10R0.71 CCCOCCCCCNC 34a_100000722520_100000210303 [1,0,0,0,0,0|3,0,0]=4 2487 B10R0.71 CCCOCCCNCC=O 2230a_100011217757_200015260668 [1,0,0,0,0,0|2,0,0]=3 2488 B10R0.71 CCCOCCCNCC=O 34a_100011217757_200009817547 [1,0,0,0,0,0|2,0,0]=3 2489 B10R0.71 CCCOCCCNCCO 2230a_100011217757_100000211926 [1,0,0,0,0,0|2,0,1]=4 2490 B10R0.71 CCCOCCCNCCO 34a_100011217757_100000211926 [1,0,0,0,0,0|2,0,1]=4 2491 B10R0.71 CCCOCCNCCCO 2230a_100161115042_100000230001 [1,0,0,0,0,0|2,0,1]=4 2492 B10R0.71 CCCOCCNCCCO 34a_100161115042_100000230001 [1,0,0,0,0,0|2,0,1]=4 2493 B10R0.71 CCCOCCOCCCO 34a_100000752267_100000230001 [1,0,0,0,0,0|2,0,1]=4 2494 B10R0.71 CCCOCCOCCCO 7a_100000752267_100011215043 [1,0,0,0,0,0|2,0,1]=4 2495 B10R0.71 CCCOCCSCCCO 62a_100011215043_100011215938 [1,0,0,0,0,0|2,0,1]=4 2496 B10R0.71 CCCOCCSCCCO 62a_100011215938_100011215043 [1,0,0,0,0,0|2,0,1]=4 2497 B10R0.71 CCCSCCCCCC#N 62a_100000210303_100009813376 [1,0,0,0,0,0|2,0,1]=4 2498 B10R0.71 CCCSCCCCCC#N 62a_100009813376_100000210303 [1,0,0,0,0,0|2,0,1]=4 2499 B10R0.71 CCCSCCCCCC=O 62a_100000139337_100000210303 [1,0,0,0,0,0|1,0,0]=2 2500 B10R0.71 CCCSCCCCCC=O 62a_100000210303_100000139337 [1,0,0,0,0,0|1,0,0]=2 2501 B10R0.71 CCCSCCCCCCF 62a_100000210303_100015922095 [1,0,0,0,0,0|2,0,1]=4 2502 B10R0.71 CCCSCCCCCCF 62a_100015922095_100000210303 [1,0,0,0,0,0|2,0,1]=4 2503 B10R0.71 CCCSCCCCCCO 62a_100000210303_100000766143 [1,0,0,0,0,0|1,0,1]=3 2504 B10R0.71 CCCSCCCCCCO 62a_100000766143_100000210303 [1,0,0,0,0,0|1,0,1]=3 2505 B10R0.71 CCCSCCNCCCO 2230a_100020603323_100000230001 [1,0,0,0,0,0|2,0,1]=4 2506 B10R0.71 CCCSCCOCCCO 34a_200000230433_100000230001 [1,0,0,0,0,0|2,0,1]=4 2507 B10R0.71 CCCSCCOCCCO 7a_200000230433_100011215043 [1,0,0,0,0,0|2,0,1]=4 2508 B10R0.71 CCNCCCCCCC#N 2230a_100015525214_100009813337 [1,0,0,0,0,0|2,0,1]=4 2509 B10R0.71 CCNCCCCCCCO 2230a_100011996573_100000210202 [1,0,0,0,0,0|1,0,1]=3 2510 B10R0.71 CCNCCCCCCCO 2230a_100015525214_100000760002 [1,0,0,0,0,0|1,0,1]=3 2511 B10R0.71 CCNCCCCCCCO 34a_100011996573_100000210202 [1,0,0,0,0,0|1,0,1]=3 2512 B10R0.71 CCNCCCCCCOC 2230a_100015525214_100011998445 [1,0,0,0,0,0|3,0,0]=4 2513 B10R0.71 CCNCCCOCCCO 2230a_100011310245_100000210202 [1,0,0,0,0,0|2,0,1]=4 2514 B10R0.71 CCNCCCOCCCO 34a_100011310245_100000210202 [1,0,0,0,0,0|2,0,1]=4 2515 B10R0.71 CCOCCCCCCCBr 34a_100000760002_100000210202 [1,0,0,0,0,0|2,0,1]=4 2516 B10R0.71 CCOCCCCCCCBr 7a_100000760002_100000210202 [1,0,0,0,0,0|2,0,1]=4 2517 B10R0.71 CCOCCCCCCCN 34a_100011996573_100000210202 [1,0,0,0,0,0|2,0,1]=4 2518 B10R0.71 CCOCCCCCCCO 34a_100121572206_100000760002 [1,0,0,0,0,0|1,0,1]=3 2519 B10R0.71 CCOCCCCCCOC 34a_100121572206_100011998445 [1,0,0,0,0,0|3,0,0]=4 2520 B10R0.71 CCOCCCCCCOC 34a_200012092642_100000210202 [1,0,0,0,0,0|3,0,0]=4 2521 B10R0.71 CCOCCCCCCOC 7a_200012092642_100000210202 [1,0,0,0,0,0|3,0,0]=4 2522 B10R0.71 CCOCCCNCCCO 2230a_100000210961_100000230001 [1,0,0,0,0,0|2,0,1]=4 2523 B10R0.71 CCOCCCNCCCO 34a_100000210961_100000230001 [1,0,0,0,0,0|2,0,1]=4 2524 B10R0.71 CCOCCCOCCCO 34a_100000757476_100000230001 [1,0,0,0,0,0|2,0,1]=4 2525 B10R0.71 CCOCCCOCCCO 7a_100000757476_100011215043 [1,0,0,0,0,0|2,0,1]=4 2526 B10R0.71 CCOCCCSCCCO 62a_100011215043_100012232248 [1,0,0,0,0,0|2,0,1]=4 2527 B10R0.71 CCOCCCSCCCO 62a_100012232248_100011215043 [1,0,0,0,0,0|2,0,1]=4 2528 B10R0.71 CCOCCNCCCC=O 2230a_102516460346_200011292268 [1,0,0,0,0,0|2,0,0]=3 2529 B10R0.71 CCOCCNCCCCO 2230a_100000750430_100011215890 [1,0,0,0,0,0|2,0,1]=4 2530 B10R0.71 CCOCCNCCCCO 2230a_102516460346_100000210776 [1,0,0,0,0,0|2,0,1]=4 2531 B10R0.71 CCOCCNCCCCO 34a_100000750430_100000210147 [1,0,0,0,0,0|2,0,1]=4 2532 B10R0.71 CCOCCNCCCCO 34a_102516460346_100011216708 [1,0,0,0,0,0|2,0,1]=4 2533 B10R0.71 CCOCCOCCCC=O 7a_100000210136_200011292268 [1,0,0,0,0,0|2,0,0]=3 2534 B10R0.71 CCOCCOCCCCO 34a_100000210136_100011216708 [1,0,0,0,0,0|2,0,1]=4 2535 B10R0.71 CCOCCOCCCCO 7a_100000210136_100000210776 [1,0,0,0,0,0|2,0,1]=4 2536 B10R0.71 CCOCCSCCCC=O 62a_100000210147_200011292268 [1,0,0,0,0,0|2,0,0]=3 2537 B10R0.71 CCOCCSCCCC=O 62a_200011292268_100011215890 [1,0,0,0,0,0|2,0,0]=3 2538 B10R0.71 CCOCCSCCCCO 62a_100000210147_100000210776 [1,0,0,0,0,0|2,0,1]=4 2539 B10R0.71 CCOCCSCCCCO 62a_100000210776_100011215890 [1,0,0,0,0,0|2,0,1]=4 2540 B10R0.71 CCOCSCCCCC=O 62a_100000139335_100000739092 [1,0,0,0,0,0|2,0,0]=3 2541 B10R0.71 CCOCSCCCCC=O 62a_100000739092_100000139335 [1,0,0,0,0,0|2,0,0]=3 2542 B10R0.71 CCOCSCCCCCO 62a_100000739092_100000746330 [1,0,0,0,0,0|2,0,1]=4 2543 B10R0.71 CCOCSCCCCCO 62a_100000746330_100000739092 [1,0,0,0,0,0|2,0,1]=4 2544 B10R0.71 CCSCCCCCCC#N 62a_100000210202_100009813337 [1,0,0,0,0,0|2,0,1]=4 2545 B10R0.71 CCSCCCCCCC#N 62a_100009813337_100000210202 [1,0,0,0,0,0|2,0,1]=4 2546 B10R0.71 CCSCCCCCCCO 62a_100000210202_100000760002 [1,0,0,0,0,0|1,0,1]=3 2547 B10R0.71 CCSCCCCCCCO 62a_100000760002_100000210202 [1,0,0,0,0,0|1,0,1]=3 2548 B10R0.71 CCSCCCCCCOC 62a_100000210202_100011998445 [1,0,0,0,0,0|3,0,0]=4 2549 B10R0.71 CCSCCCCCCOC 62a_100011998445_100000210202 [1,0,0,0,0,0|3,0,0]=4 2550 B10R0.71 CCSCCCOCCCO 34a_100011216438_100000230001 [1,0,0,0,0,0|2,0,1]=4 2551 B10R0.71 CCSCCCOCCCO 7a_100011216438_100011215043 [1,0,0,0,0,0|2,0,1]=4 2552 B10R0.71 CCSCCNCCCC=O 2230a_100000106463_200011292268 [1,0,0,0,0,0|2,0,0]=3 2553 B10R0.71 CCSCCNCCCCO 2230a_100000106463_100000210776 [1,0,0,0,0,0|2,0,1]=4 2554 B10R0.71 CCSCCNCCCCO 2230a_100000750430_100000757381 [1,0,0,0,0,0|2,0,1]=4 2555 B10R0.71 CCSCCNCCCCO 34a_100000750430_100000757381 [1,0,0,0,0,0|2,0,1]=4 2556 B10R0.71 CCSCCOCCCC=O 7a_100000212035_200011292268 [1,0,0,0,0,0|2,0,0]=3 2557 B10R0.71 CCSCCOCCCCO 34a_100000212035_100011216708 [1,0,0,0,0,0|2,0,1]=4 2558 B10R0.71 CCSCCOCCCCO 7a_100000212035_100000210776 [1,0,0,0,0,0|2,0,1]=4 2559 B10R0.71 CCSCCSCCCC=O 62a_100000757381_200011292268 [1,0,0,0,0,0|2,0,0]=3 2560 B10R0.71 CCSCCSCCCC=O 62a_200011292268_100000757381 [1,0,0,0,0,0|2,0,0]=3 2561 B10R0.71 CCSCCSCCCCO 62a_100000210776_100000757381 [1,0,0,0,0,0|2,0,1]=4 2562 B10R0.71 CCSCCSCCCCO 62a_100000757381_100000210776 [1,0,0,0,0,0|2,0,1]=4 2563 B10R0.71 CNCCCCCCCCO 2230a_102515433106_200000210301 [1,0,0,0,0,0|1,0,1]=3 2564 B10R0.71 CNCCCCCCCCO 2230a_106832991635_100000033203 [1,0,0,0,0,0|1,0,1]=3 2565 B10R0.71 CNCCCCCCCCO 34a_100102657272_100000033203 [1,0,0,0,0,0|1,0,1]=3 2566 B10R0.71 CNCCCCCCCCO 34a_102515433106_200000210301 [1,0,0,0,0,0|1,0,1]=3 2567 B10R0.71 CNCCCCCCCCO 7a_106832991635_100000033203 [1,0,0,0,0,0|1,0,1]=3 2568 B10R0.71 CNCCCCCOCC=O 34a_100000722520_200009817547 [1,0,0,0,0,0|2,0,0]=3 2569 B10R0.71 CNCCCCCOCCO 34a_100000722520_100000211926 [1,0,0,0,0,0|2,0,1]=4 2570 B10R0.71 CNCCCOCCCCO 34a_100000213112_100011216708 [1,0,0,0,0,0|2,0,1]=4 2571 B10R0.71 CNCCOCCOCC=O 34a_100000228057_200009817547 [1,0,0,0,0,0|3,0,0]=4 2572 B10R0.71 COCCCCCCCCBr 34a_100009813846_200000210301 [1,0,0,0,0,0|2,0,1]=4 2573 B10R0.71 COCCCCCCCCBr 7a_100009813846_200000210301 [1,0,0,0,0,0|2,0,1]=4 2574 B10R0.71 COCCCCCCCCCl 34a_100000033203_200000210301 [1,0,0,0,0,0|2,0,1]=4 2575 B10R0.71 COCCCCCCCCCl 7a_100000033203_200000210301 [1,0,0,0,0,0|2,0,1]=4 2576 B10R0.71 COCCCCCCCCN 34a_102515433106_200000210301 [1,0,0,0,0,0|2,0,1]=4 2577 B10R0.71 COCCCCCCCCO 34a_100138415774_100000033203 [1,0,0,0,0,0|1,0,1]=3 2578 B10R0.71 COCCCCCNCC=O 2230a_100000747528_200015260668 [1,0,0,0,0,0|2,0,0]=3 2579 B10R0.71 COCCCCCNCC=O 34a_100000747528_200009817547 [1,0,0,0,0,0|2,0,0]=3 2580 B10R0.71 COCCCCCNCCO 2230a_100000747528_100000211926 [1,0,0,0,0,0|2,0,1]=4 2581 B10R0.71 COCCCCCNCCO 34a_100000747528_100000211926 [1,0,0,0,0,0|2,0,1]=4 2582 B10R0.71 COCCCCOCCCO 34a_100000740925_100000230001 [1,0,0,0,0,0|2,0,1]=4 2583 B10R0.71 COCCCCSCCCO 62a_100000730899_100011215043 [1,0,0,0,0,0|2,0,1]=4 2584 B10R0.71 COCCCCSCCCO 62a_100011215043_100000730899 [1,0,0,0,0,0|2,0,1]=4 2585 B10R0.71 COCCCNCCCCO 2230a_100000750430_100000740836 [1,0,0,0,0,0|2,0,1]=4 2586 B10R0.71 COCCCNCCCCO 34a_100000750430_100000740836 [1,0,0,0,0,0|2,0,1]=4 2587 B10R0.71 COCCCNCCCCO 34a_100150723488_100011216708 [1,0,0,0,0,0|2,0,1]=4 2588 B10R0.71 COCCCOCCCCO 34a_100000740835_100011216708 [1,0,0,0,0,0|2,0,1]=4 2589 B10R0.71 COCCCSCCCC=O 62a_100000709357_200011292268 [1,0,0,0,0,0|2,0,0]=3 2590 B10R0.71 COCCCSCCCC=O 62a_200011292268_100000709357 [1,0,0,0,0,0|2,0,0]=3 2591 B10R0.71 COCCCSCCCCO 62a_100000210776_100000709357 [1,0,0,0,0,0|2,0,1]=4 2592 B10R0.71 COCCCSCCCCO 62a_100000709357_100000210776 [1,0,0,0,0,0|2,0,1]=4 2593 B10R0.71 COCCNCCCCC=O 2230a_100000209980_100000139335 [1,0,0,0,0,0|2,0,0]=3 2594 B10R0.71 COCCNCCCCCO 2230a_100000209980_100000746330 [1,0,0,0,0,0|2,0,1]=4 2595 B10R0.71 COCCNCCCCCO 2230a_100000762737_100011201679 [1,0,0,0,0,0|2,0,1]=4 2596 B10R0.71 COCCNCCCCCO 34a_100000762737_100011201679 [1,0,0,0,0,0|2,0,1]=4 2597 B10R0.71 COCCOCCCCCO 34a_100000210237_100000746330 [1,0,0,0,0,0|2,0,1]=4 2598 B10R0.71 COCCOCCNCC=O 2230a_100000745349_200015260668 [1,0,0,0,0,0|3,0,0]=4 2599 B10R0.71 COCCOCCNCC=O 34a_100000745349_200009817547 [1,0,0,0,0,0|3,0,0]=4 2600 B10R0.71 COCCOCCOCC=O 34a_100011215163_200009817547 [1,0,0,0,0,0|3,0,0]=4 2601 B10R0.71 COCCOCCOCC=O 7a_100011215163_200015260668 [1,0,0,0,0,0|3,0,0]=4 2602 B10R0.71 COCCOCCSCC=O 62a_100000695917_200015260668 [1,0,0,0,0,0|3,0,0]=4 2603 B10R0.71 COCCOCCSCC=O 62a_200015260668_100000695917 [1,0,0,0,0,0|3,0,0]=4 2604 B10R0.71 COCCSCCCCC=O 62a_100000139335_100000233755 [1,0,0,0,0,0|2,0,0]=3 2605 B10R0.71 COCCSCCCCC=O 62a_100000233755_100000139335 [1,0,0,0,0,0|2,0,0]=3 2606 B10R0.71 COCCSCCCCCO 62a_100000233755_100000746330 [1,0,0,0,0,0|2,0,1]=4 2607 B10R0.71 COCCSCCCCCO 62a_100000746330_100000233755 [1,0,0,0,0,0|2,0,1]=4 2608 B10R0.71 COCNCCCCCCO 2230a_100000686447_100000766300 [1,0,0,0,0,0|2,0,1]=4 2609 B10R0.71 COCSCCCCCC=O 62a_100000139337_100000766300 [1,0,0,0,0,0|2,0,0]=3 2610 B10R0.71 COCSCCCCCC=O 62a_100000766300_100000139337 [1,0,0,0,0,0|2,0,0]=3 2611 B10R0.71 COCSCCCCCCO 62a_100000766143_100000766300 [1,0,0,0,0,0|2,0,1]=4 2612 B10R0.71 COCSCCCCCCO 62a_100000766300_100000766143 [1,0,0,0,0,0|2,0,1]=4 2613 B10R0.71 CSCCCCCCCCO 62a_100000033203_200000210301 [1,0,0,0,0,0|1,0,1]=3 2614 B10R0.71 CSCCCCCCCCO 62a_200000210301_100000033203 [1,0,0,0,0,0|1,0,1]=3 2615 B10R0.71 CSCCCCOCCCO 34a_100011217163_100000230001 [1,0,0,0,0,0|2,0,1]=4 2616 B10R0.71 CSCCCCOCCCO 7a_100011217163_100011215043 [1,0,0,0,0,0|2,0,1]=4 2617 B10R0.71 CSCCCNCCCC=O 2230a_100000749238_200011292268 [1,0,0,0,0,0|2,0,0]=3 2618 B10R0.71 CSCCCNCCCCO 2230a_100000749238_100000210776 [1,0,0,0,0,0|2,0,1]=4 2619 B10R0.71 CSCCCOCCCC=O 7a_100000690336_200011292268 [1,0,0,0,0,0|2,0,0]=3 2620 B10R0.71 CSCCCOCCCCO 34a_100000690336_100011216708 [1,0,0,0,0,0|2,0,1]=4 2621 B10R0.71 CSCCCOCCCCO 7a_100000690336_100000210776 [1,0,0,0,0,0|2,0,1]=4 2622 B10R0.71 CSCCNCCCCC=O 2230a_100020590264_100000139335 [1,0,0,0,0,0|2,0,0]=3 2623 B10R0.71 CSCCNCCCCCO 2230a_100000762737_100000751147 [1,0,0,0,0,0|2,0,1]=4 2624 B10R0.71 CSCCNCCCCCO 2230a_100020590264_100000746330 [1,0,0,0,0,0|2,0,1]=4 2625 B10R0.71 CSCCNCCCCCO 34a_100000762737_100000212216 [1,0,0,0,0,0|2,0,1]=4 2626 B10R0.71 CSCCOCCCCC=O 7a_100000230434_100000139335 [1,0,0,0,0,0|2,0,0]=3 2627 B10R0.71 CSCCOCCCCCO 34a_100000230434_100000746330 [1,0,0,0,0,0|2,0,1]=4 2628 B10R0.71 CSCCOCCCCCO 7a_100000230434_100000746330 [1,0,0,0,0,0|2,0,1]=4 2629 B10R0.71 CSCCSCCCCC=O 62a_100000139335_100000751147 [1,0,0,0,0,0|2,0,0]=3 2630 B10R0.71 CSCCSCCCCC=O 62a_100000212216_100000139335 [1,0,0,0,0,0|2,0,0]=3 2631 B10R0.71 CSCCSCCCCCO 62a_100000212216_100000746330 [1,0,0,0,0,0|2,0,1]=4 2632 B10R0.71 CSCCSCCCCCO 62a_100000746330_100000751147 [1,0,0,0,0,0|2,0,1]=4 2633 B10R0.71 CSCNCCCCCCO 2230a_100000686447_100011218213 [1,0,0,0,0,0|2,0,1]=4 2634 B10R0.71 CSCNCCCCCCO 34a_100000686447_100011218213 [1,0,0,0,0,0|2,0,1]=4 2635 B10R0.71 CSCSCCCCCC=O 62a_100000139337_100011218213 [1,0,0,0,0,0|2,0,0]=3 2636 B10R0.71 CSCSCCCCCC=O 62a_100011218213_100000139337 [1,0,0,0,0,0|2,0,0]=3 2637 B10R0.71 CSCSCCCCCCO 62a_100000766143_100011218213 [1,0,0,0,0,0|2,0,1]=4 2638 B10R0.71 CSCSCCCCCCO 62a_100011218213_100000766143 [1,0,0,0,0,0|2,0,1]=4 2639 B10R0.71 N#CCCCCCSCC=O 62a_100009813376_200015260668 [1,0,0,0,0,0|2,0,1]=4 2640 B10R0.71 N#CCCCCCSCC=O 62a_200015260668_100009813376 [1,0,0,0,0,0|2,0,1]=4 2641 B10R0.71 N#CCCCSCCCC=O 62a_100000687738_200011292268 [1,0,0,0,0,0|2,0,1]=4 2642 B10R0.71 N#CCCCSCCCC=O 62a_200011292268_100000687738 [1,0,0,0,0,0|2,0,1]=4 2643 B10R0.71 N#CCCSCCCCC=O 62a_100000139335_100011215226 [1,0,0,0,0,0|2,0,1]=4 2644 B10R0.71 N#CCCSCCCCC=O 62a_100011215226_100000139335 [1,0,0,0,0,0|2,0,1]=4 2645 B10R0.71 N#CCSCCCCCC=O 62a_100000139337_100011215382 [1,0,0,0,0,0|2,0,1]=4 2646 B10R0.71 N#CCSCCCCCC=O 62a_100011215382_100000139337 [1,0,0,0,0,0|2,0,1]=4 2647 B10R0.71 NCCCCCCOCC=O 34a_100000686447_200009817547 [1,0,0,0,0,0|2,0,0]=3 2648 B10R0.71 NCCCCCCOCCO 34a_100000686447_100000211926 [1,0,0,0,0,0|2,0,1]=4 2649 B10R0.71 NCCCCCOCCCO 34a_100000762737_100000230001 [1,0,0,0,0,0|2,0,1]=4 2650 B10R0.71 NCCCCOCCCCO 34a_100000750430_100011216708 [1,0,0,0,0,0|2,0,1]=4 2651 B10R0.71 NCCCOCCCCCO 34a_100000182051_100000746330 [1,0,0,0,0,0|2,0,1]=4 2652 B10R0.71 NCCOCCCCCCO 34a_100000210304_100000766143 [1,0,0,0,0,0|2,0,1]=4 2653 B10R0.71 O=CCCCCCNCCO 2230a_100016997473_100000139337 [1,0,0,0,0,0|2,0,0]=3 2654 B10R0.71 O=CCCCCCSCC=O 62a_100000139337_200015260668 [1,0,0,0,0,0|2,0,1]=4 2655 B10R0.71 O=CCCCCCSCC=O 62a_200015260668_100000139337 [1,0,0,0,0,0|2,0,1]=4 2656 B10R0.71 O=CCCCCCSCCF 62a_100000139337_100011217306 [1,0,0,0,0,0|2,0,0]=3 2657 B10R0.71 O=CCCCCCSCCF 62a_100011217306_100000139337 [1,0,0,0,0,0|2,0,0]=3 2658 B10R0.71 O=CCCCCCSCCO 62a_100000139337_100000211926 [1,0,0,0,0,0|2,0,0]=3 2659 B10R0.71 O=CCCCCCSCCO 62a_100000211926_100000139337 [1,0,0,0,0,0|2,0,0]=3 2660 B10R0.71 O=CCCCCNCCCF 2230a_100015189416_100000139335 [1,0,0,0,0,0|2,0,0]=3 2661 B10R0.71 O=CCCCCSCCCF 62a_100000139335_100011934791 [1,0,0,0,0,0|2,0,0]=3 2662 B10R0.71 O=CCCCCSCCCF 62a_100011934791_100000139335 [1,0,0,0,0,0|2,0,0]=3 2663 B10R0.71 O=CCCCCSCCCO 62a_100000139335_100011215043 [1,0,0,0,0,0|2,0,0]=3 2664 B10R0.71 O=CCCCCSCCCO 62a_100011215043_100000139335 [1,0,0,0,0,0|2,0,0]=3 2665 B10R0.71 O=CCCCNCCCCO 2230a_100000750430_200011292268 [1,0,0,0,0,0|2,0,0]=3 2666 B10R0.71 O=CCCCOCCCCCl 7a_100000210776_200011292268 [1,0,0,0,0,0|2,0,0]=3 2667 B10R0.71 O=CCCCOCCCCF 7a_100011995726_200011292268 [1,0,0,0,0,0|2,0,0]=3 2668 B10R0.71 O=CCCCSCCCC=O 62a_200011292268_200011292268 [1,0,0,0,0,0|2,0,1]=4 2669 B10R0.71 O=CCCCSCCCCF 62a_100000729493_200011292268 [1,0,0,0,0,0|2,0,0]=3 2670 B10R0.71 O=CCCCSCCCCF 62a_200011292268_100000729493 [1,0,0,0,0,0|2,0,0]=3 2671 B10R0.71 O=CCCCSCCCCO 62a_100000210776_200011292268 [1,0,0,0,0,0|2,0,0]=3 2672 B10R0.71 O=CCCCSCCCCO 62a_200011292268_100000210776 [1,0,0,0,0,0|2,0,0]=3 2673 B10R0.71 O=CCNCCCCCCO 2230a_100000686447_200015260668 [1,0,0,0,0,0|2,0,0]=3 2674 B10R0.71 O=CCNCCCCCCO 34a_100000686447_200009817547 [1,0,0,0,0,0|2,0,0]=3 2675 B10R0.71 O=CCOCCCCCCBr 34a_100011215345_200009817547 [1,0,0,0,0,0|2,0,0]=3 2676 B10R0.71 O=CCOCCCCCCBr 7a_100011215345_200015260668 [1,0,0,0,0,0|2,0,0]=3 2677 B10R0.71 O=CCOCCCCCCCl 34a_100000766143_200009817547 [1,0,0,0,0,0|2,0,0]=3 2678 B10R0.71 O=CCOCCCCCCCl 7a_100000766143_200015260668 [1,0,0,0,0,0|2,0,0]=3 2679 B10R0.71 O=CCOCCCCCCF 34a_100000732779_200009817547 [1,0,0,0,0,0|2,0,0]=3 2680 B10R0.71 O=CCOCCCCCCF 7a_100000732779_200015260668 [1,0,0,0,0,0|2,0,0]=3 2681 B10R0.71 O=CCSCCCCCCF 62a_100015922095_200015260668 [1,0,0,0,0,0|2,0,0]=3 2682 B10R0.71 O=CCSCCCCCCF 62a_200015260668_100015922095 [1,0,0,0,0,0|2,0,0]=3 2683 B10R0.71 O=CCSCCCCCCO 62a_100000766143_200015260668 [1,0,0,0,0,0|2,0,0]=3 2684 B10R0.71 O=CCSCCCCCCO 62a_200015260668_100000766143 [1,0,0,0,0,0|2,0,0]=3 2685 B10R0.71 OCCCCCCCNCF 34a_100011996573_100015361967 [1,0,0,0,0,0|2,0,1]=4 2686 B10R0.71 OCCCCCCCSCF 62a_100000760002_100015361967 [1,0,0,0,0,0|2,0,1]=4 2687 B10R0.71 OCCCCCCCSCF 62a_100015361967_100000760002 [1,0,0,0,0,0|2,0,1]=4 2688 B10R0.71 OCCCCCCNCCF 2230a_100000686447_100011217306 [1,0,0,0,0,0|2,0,1]=4 2689 B10R0.71 OCCCCCCNCCF 34a_100000686447_100011217306 [1,0,0,0,0,0|2,0,1]=4 2690 B10R0.71 OCCCCCCNCCF 34a_100000724931_100000766143 [1,0,0,0,0,0|2,0,1]=4 2691 B10R0.71 OCCCCCCNCCO 2230a_100000686447_100000211926 [1,0,0,0,0,0|2,0,1]=4 2692 B10R0.71 OCCCCCCNCCO 2230a_100016997473_100000766143 [1,0,0,0,0,0|2,0,1]=4 2693 B10R0.71 OCCCCCCNCCO 34a_100000686447_100000211926 [1,0,0,0,0,0|2,0,1]=4 2694 B10R0.71 OCCCCCCNCCO 34a_100016990907_100000766143 [1,0,0,0,0,0|2,0,1]=4 2695 B10R0.71 OCCCCCCOCCBr 34a_100000211926_100000766143 [1,0,0,0,0,0|2,0,1]=4 2696 B10R0.71 OCCCCCCSCCF 62a_100000766143_100011217306 [1,0,0,0,0,0|2,0,1]=4 2697 B10R0.71 OCCCCCCSCCF 62a_100011217306_100000766143 [1,0,0,0,0,0|2,0,1]=4 2698 B10R0.71 OCCCCCCSCCO 62a_100000211926_100000766143 [1,0,0,0,0,0|2,0,1]=4 2699 B10R0.71 OCCCCCCSCCO 62a_100000766143_100000211926 [1,0,0,0,0,0|2,0,1]=4 2700 B10R0.71 OCCCCCNCCCF 2230a_100000762737_100011934791 [1,0,0,0,0,0|2,0,1]=4 2701 B10R0.71 OCCCCCNCCCF 2230a_100015189416_100000746330 [1,0,0,0,0,0|2,0,1]=4 2702 B10R0.71 OCCCCCNCCCF 34a_100000762737_100011934791 [1,0,0,0,0,0|2,0,1]=4 2703 B10R0.71 OCCCCCNCCCF 34a_100015189416_100000746330 [1,0,0,0,0,0|2,0,1]=4 2704 B10R0.71 OCCCCCNCCCO 2230a_100000762737_100000230001 [1,0,0,0,0,0|2,0,1]=4 2705 B10R0.71 OCCCCCNCCCO 34a_100000762737_100000230001 [1,0,0,0,0,0|2,0,1]=4 2706 B10R0.71 OCCCCCOCCCBr 34a_100011217188_100000746330 [1,0,0,0,0,0|2,0,1]=4 2707 B10R0.71 OCCCCCOCCCCl 34a_100000230001_100000746330 [1,0,0,0,0,0|2,0,1]=4 2708 B10R0.71 OCCCCCOCCCF 34a_100000759539_100000746330 [1,0,0,0,0,0|2,0,1]=4 2709 B10R0.71 OCCCCCSCCCF 62a_100000746330_100011934791 [1,0,0,0,0,0|2,0,1]=4 2710 B10R0.71 OCCCCCSCCCF 62a_100011934791_100000746330 [1,0,0,0,0,0|2,0,1]=4 2711 B10R0.71 OCCCCCSCCCO 62a_100000746330_100011215043 [1,0,0,0,0,0|2,0,1]=4 2712 B10R0.71 OCCCCCSCCCO 62a_100011215043_100000746330 [1,0,0,0,0,0|2,0,1]=4 2713 B10R0.71 OCCCCNCCCCF 2230a_100000750430_100000729493 [1,0,0,0,0,0|2,0,1]=4 2714 B10R0.71 OCCCCNCCCCF 34a_100000750430_100000729493 [1,0,0,0,0,0|2,0,1]=4 2715 B10R0.71 OCCCCNCCCCO 2230a_100000750430_100000210776 [1,0,0,0,0,0|2,0,1]=4 2716 B10R0.71 OCCCCNCCCCO 34a_100000750430_100011216708 [1,0,0,0,0,0|2,0,1]=4 2717 B10R0.71 OCCCCOCCCCBr 34a_100011216708_100011216708 [1,0,0,0,0,0|2,0,1]=4 2718 B10R0.71 OCCCCOCCCCCl 34a_100000210776_100011216708 [1,0,0,0,0,0|2,0,1]=4 2719 B10R0.71 OCCCCOCCCCCl 7a_100000210776_100000210776 [1,0,0,0,0,0|2,0,1]=4 2720 B10R0.71 OCCCCOCCCCF 34a_100011995726_100011216708 [1,0,0,0,0,0|2,0,1]=4 2721 B10R0.71 OCCCCOCCCCF 7a_100011995726_100000210776 [1,0,0,0,0,0|2,0,1]=4 2722 B10R0.71 OCCCCOCCCCI 34a_200012148704_100011216708 [1,0,0,0,0,0|2,0,1]=4 2723 B10R0.71 OCCCCSCCCCF 62a_100000210776_100000729493 [1,0,0,0,0,0|2,0,1]=4 2724 B10R0.71 OCCCCSCCCCF 62a_100000729493_100000210776 [1,0,0,0,0,0|2,0,1]=4 2725 B10R0.71 OCCCCSCCCCO 62a_100000210776_100000210776 [1,0,0,0,0,0|2,0,1]=4 2726 B10R0.71 OCCCOCCCCCBr 34a_100000746331_100000230001 [1,0,0,0,0,0|2,0,1]=4 2727 B10R0.71 OCCCOCCCCCBr 7a_100000746331_100011215043 [1,0,0,0,0,0|2,0,1]=4 2728 B10R0.71 OCCCOCCCCCCl 34a_100000746330_100000230001 [1,0,0,0,0,0|2,0,1]=4 2729 B10R0.71 OCCCOCCCCCCl 7a_100000746330_100011215043 [1,0,0,0,0,0|2,0,1]=4 2730 B10R0.71 OCCCOCCCCCI 34a_200012148887_100000230001 [1,0,0,0,0,0|2,0,1]=4 2731 B10R0.71 OCCCOCCCCCI 7a_200012148887_100011215043 [1,0,0,0,0,0|2,0,1]=4 2732 B10R0.71 OCCCSCCCCCF 62a_100000729378_100011215043 [1,0,0,0,0,0|2,0,1]=4 2733 B10R0.71 OCCCSCCCCCF 62a_100011215043_100000729378 [1,0,0,0,0,0|2,0,1]=4 2734 B10R0.71 OCCNCCCCCCF 2230a_100016997473_100015922095 [1,0,0,0,0,0|2,0,1]=4 2735 B10R0.71 OCCNCCCCCCF 34a_100016990907_100015922095 [1,0,0,0,0,0|2,0,1]=4 2736 B10R0.71 OCCOCCCCCCBr 34a_100011215345_100000211926 [1,0,0,0,0,0|2,0,1]=4 2737 B10R0.71 OCCOCCCCCCBr 7a_100011215345_100000211926 [1,0,0,0,0,0|2,0,1]=4 2738 B10R0.71 OCCOCCCCCCCl 34a_100000766143_100000211926 [1,0,0,0,0,0|2,0,1]=4 2739 B10R0.71 OCCOCCCCCCCl 7a_100000766143_100000211926 [1,0,0,0,0,0|2,0,1]=4 2740 B10R0.71 OCCOCCCCCCF 34a_100000732779_100000211926 [1,0,0,0,0,0|2,0,1]=4 2741 B10R0.71 OCCOCCCCCCF 7a_100000732779_100000211926 [1,0,0,0,0,0|2,0,1]=4 2742 B10R0.71 OCCSCCCCCCF 62a_100000211926_100015922095 [1,0,0,0,0,0|2,0,1]=4 2743 B10R0.71 OCCSCCCCCCF 62a_100015922095_100000211926 [1,0,0,0,0,0|2,0,1]=4 2744 B10R0.71 [13CH3]NCCCCCCCCO 2230a_102515433106_200025704644 [1,0,0,0,0,0|1,0,1]=3 2745 B10R0.71 [13CH3]NCCCCCCCCO 34a_102515433106_200025704644 [1,0,0,0,0,0|1,0,1]=3 2746 B10R0.71 [13CH3]OCCCCCCCCBr 34a_100009813846_200025704644 [1,0,0,0,0,0|2,0,1]=4 2747 B10R0.71 [13CH3]OCCCCCCCCBr 7a_100009813846_200025704644 [1,0,0,0,0,0|2,0,1]=4 2748 B10R0.71 [13CH3]OCCCCCCCCCl 34a_100000033203_200025704644 [1,0,0,0,0,0|2,0,1]=4 2749 B10R0.71 [13CH3]OCCCCCCCCCl 7a_100000033203_200025704644 [1,0,0,0,0,0|2,0,1]=4 2750 B10R0.71 [13CH3]OCCCCCCCCN 34a_102515433106_200025704644 [1,0,0,0,0,0|2,0,1]=4 2751 B10R0.71 [13CH3]SCCCCCCCCO 62a_100000033203_200025704644 [1,0,0,0,0,0|1,0,1]=3 2752 B10R0.71 [13CH3]SCCCCCCCCO 62a_200025704644_100000033203 [1,0,0,0,0,0|1,0,1]=3 2753 B12R0.4 C#CCCCCCN(C)CC(=O)O 269956a_100000746989_100012094781 [0,1,0,0,0,0|1,0,2]=4 2754 B12R0.4 C#CCCCNCC(O)CC(=O)O 269956a_100011218706_100011215417 [0,1,0,0,0,0|1,0,2]=4 2755 B12R0.4 C=C(C)CC(=O)CCCCCCC 1458a_100000211969_100000748629 [0,1,0,0,0,0|2,0,1]=4 2756 B12R0.4 C=C(C)CN(C)CCCCCCC 2230a_100000225649_100000210681 [0,1,0,0,0,0|3,0,0]=4 2757 B12R0.4 C=C(C)CN(C)CCCCCCC 2230a_100000228206_100000748629 [0,1,0,0,0,0|3,0,0]=4 2758 B12R0.4 C=C(C)CN(C)CCCCCCC 269982a_100000225649_100000210681 [0,1,0,0,0,0|3,0,0]=4 2759 B12R0.4 C=C(C)CN(C)CCCCCCC 269982a_100000228206_100000748629 [0,1,0,0,0,0|3,0,0]=4 2760 B12R0.4 C=C(F)CC(=O)CCCCCCC 1458a_100000211969_100009893438 [0,1,0,0,0,0|2,0,1]=4 2761 B12R0.4 C=C(F)CN(C)CCCCCCC 2230a_100000228206_100009893438 [0,1,0,0,0,0|3,0,0]=4 2762 B12R0.4 C=C(F)CN(C)CCCCCCC 269982a_100000228206_100009893438 [0,1,0,0,0,0|3,0,0]=4 2763 B12R0.4 C=CCCCCCN(C)CC(=O)O 269956a_100000746989_100000700193 [0,1,0,0,0,0|1,0,2]=4 2764 B12R0.4 C=CCCCNCC(O)CC(=O)O 269956a_100011218706_100011713584 [0,1,0,0,0,0|1,0,2]=4 2765 B12R0.4 CC/C=C\CNCC(O)CC(=O)O 269956a_100011218706_100103147603 [0,1,0,0,0,0|1,0,2]=4 2766 B12R0.4 CCC#CCNCC(O)CC(=O)O 269956a_100011218706_100009813939 [0,1,0,0,0,0|1,0,2]=4 2767 B12R0.4 CCCCCCCC(=O)CC(=O)N 1458a_100000211969_100000187820 [0,1,0,0,0,0|1,0,1]=3 2768 B12R0.4 CCCCCCCC(=O)CC(=O)N 1458a_100134613110_100000210614 [0,1,0,0,0,0|1,0,1]=3 2769 B12R0.4 CCCCCCCC(=O)CC(=O)[O-] 1458a_100000211969_100020667443 [0,1,0,0,0,0|0,0,2]=3 2770 B12R0.4 CCCCCCCC(=O)CC(C)O 1458a_100000211969_100011218427 [0,1,0,0,0,0|1,0,2]=4 2771 B12R0.4 CCCCCCCC(=O)C[C@@H](C)O 1458a_100011933948_100000210614 [0,1,0,0,0,0|1,0,2]=4 2772 B12R0.4 CCCCCCCC(=O)C[N+](=O)[O-] 1458a_100000211969_100000761209 [0,1,0,0,0,0|1,0,2]=4 2773 B12R0.4 CCCCCCCC(O)CC(=O)C 1458a_200011667753_200000210301 [0,1,0,0,0,0|1,0,0]=2 2774 B12R0.4 CCCCCCCC(O)CC(=O)[13CH3] 1458a_200011667753_200025704644 [0,1,0,0,0,0|1,0,0]=2 2775 B12R0.4 CCCCCCCN(C)CC(=O)N 2230a_100000228206_100000747473 [0,1,0,0,0,0|2,0,0]=3 2776 B12R0.4 CCCCCCCN(C)CC(=O)N 2230a_100000739694_100000210681 [0,1,0,0,0,0|2,0,0]=3 2777 B12R0.4 CCCCCCCN(C)CC(=O)N 269982a_100000228206_100000187820 [0,1,0,0,0,0|2,0,0]=3 2778 B12R0.4 CCCCCCCN(C)CC(=O)O 269956a_100000746989_100000210614 [0,1,0,0,0,0|1,0,0]=2 2779 B12R0.4 CCCCCCCN(C)CC(=O)[O-] 269982a_100000228206_100020667443 [0,1,0,0,0,0|1,0,1]=3 2780 B12R0.4 CCCCCCCN(C)CC(C)O 2230a_100000227577_100000210681 [0,1,0,0,0,0|2,0,1]=4 2781 B12R0.4 CCCCCCCN(C)CC(C)O 2230a_100000228206_100011218427 [0,1,0,0,0,0|2,0,1]=4 2782 B12R0.4 CCCCCCCN(C)CC(C)O 269982a_100000227577_100000210681 [0,1,0,0,0,0|2,0,1]=4 2783 B12R0.4 CCCCCCCN(C)CC(C)O 269982a_100000228206_100011218427 [0,1,0,0,0,0|2,0,1]=4 2784 B12R0.4 CCCCCCCN(C)C[C@@H](C)O 2230a_100000228206_100009817552 [0,1,0,0,0,0|2,0,1]=4 2785 B12R0.4 CCCCCCCN(C)C[C@@H](C)O 269982a_100000228206_100009817552 [0,1,0,0,0,0|2,0,1]=4 2786 B12R0.4 CCCCCCCN(C)C[N+](=O)[O-] 269982a_100000228206_100000761209 [0,1,0,0,0,0|2,0,1]=4 2787 B12R0.4 CCCCCCNC(=O)CC(=O)C 1458a_100000070787_100000230325 [0,1,0,0,0,0|2,0,1]=4 2788 B12R0.4 CCCCCCNC(=O)CC(=O)N 240690a_100000210581_100134613110 [0,1,0,0,0,0|2,0,1]=4 2789 B12R0.4 CCCCCCNC(=O)CC(=O)N 527a_100000210581_100134613110 [0,1,0,0,0,0|2,0,1]=4 2790 B12R0.4 CCCCCCSC(C)OC(=O)C 62a_100000210314_100009818208 [0,1,0,0,0,0|3,0,0]=4 2791 B12R0.4 CCCCCCSC(C)OC(=O)C 62a_100009818208_100000210757 [0,1,0,0,0,0|3,0,0]=4 2792 B12R0.4 CCCCCNCC(O)CC(=O)O 269956a_100011218706_100000210326 [0,1,0,0,0,0|1,0,0]=2 2793 B12R0.4 CCCCOCCC(=O)CC(=O)N 1458a_100134613110_100000743108 [0,1,0,0,0,0|2,0,1]=4 2794 B12R0.4 CCCCOCCN(C)CC(=O)N 2230a_100000739694_100000743108 [0,1,0,0,0,0|3,0,0]=4 2795 B12R0.4 CCCCOCCN(C)CC(=O)O 269956a_100000746989_100000743108 [0,1,0,0,0,0|2,0,0]=3 2796 B12R0.4 CCOCCNCC(O)CC(=O)O 269956a_100011218706_100000210147 [0,1,0,0,0,0|2,0,0]=3 2797 B12R0.4 CCSCCNCC(O)CC(=O)O 269956a_100011218706_100000757381 [0,1,0,0,0,0|2,0,0]=3 2798 B12R0.4 CN(CCCCCC#N)CC(=O)O 269956a_100000746989_100009813376 [0,1,0,0,0,0|2,0,1]=4 2799 B12R0.4 CN(CCCCCC=O)CC(=O)O 269956a_100000746989_100000139337 [0,1,0,0,0,0|2,0,1]=4 2800 B12R0.4 CN(CCCCCCF)CC(=O)N 2230a_100000739694_100015922095 [0,1,0,0,0,0|3,0,0]=4 2801 B12R0.4 CN(CCCCCCF)CC(=O)O 269956a_100000746989_100015922095 [0,1,0,0,0,0|2,0,0]=3 2802 B12R0.4 CN(CCCCCCO)CC(=O)N 2230a_100000739694_100000766143 [0,1,0,0,0,0|3,0,0]=4 2803 B12R0.4 CN(CCCCCCO)CC(=O)O 269956a_100000746989_100000766143 [0,1,0,0,0,0|2,0,0]=3 2804 B12R0.4 COCCCCCC(=O)CC(=O)N 1458a_100011935119_100000187820 [0,1,0,0,0,0|2,0,1]=4 2805 B12R0.4 COCCCCCC(=O)CC(=O)[O-] 1458a_100011935119_100020667443 [0,1,0,0,0,0|1,0,2]=4 2806 B12R0.4 COCCCNCC(O)CC(=O)O 269956a_100011218706_100000740836 [0,1,0,0,0,0|2,0,0]=3 2807 B12R0.4 COCCOCCN(C)CC(=O)O 269956a_100000746989_100000695917 [0,1,0,0,0,0|3,0,0]=4 2808 B12R0.4 N#CCCCNCC(O)CC(=O)O 269956a_100011218706_100000687738 [0,1,0,0,0,0|2,0,1]=4 2809 B12R0.4 NC(=O)CC(=O)CCCCCCF 1458a_100134613110_100015922095 [0,1,0,0,0,0|2,0,1]=4 2810 B12R0.4 NC(=O)CC(=O)CCCCCCO 1458a_100011996774_100000187820 [0,1,0,0,0,0|2,0,1]=4 2811 B12R0.4 NC(=O)CC(=O)CCCCCCO 1458a_100134613110_100000766143 [0,1,0,0,0,0|2,0,1]=4 2812 B12R0.4 O=C(O)CC(O)CNCCCCF 269956a_100011218706_100000729493 [0,1,0,0,0,0|2,0,0]=3 2813 B12R0.4 O=C(O)CC(O)CNCCCCO 269956a_100011218706_100000210776 [0,1,0,0,0,0|2,0,0]=3 2814 B12R0.4 O=C([O-])CC(=O)CCCCCCO 1458a_100011996774_100020667443 [0,1,0,0,0,0|1,0,2]=4 2815 B12R0.4 O=CCCCNCC(O)CC(=O)O 269956a_100011218706_200011292268 [0,1,0,0,0,0|2,0,1]=4 2816 B12R0.95 C=C(C)CCOCC(C)CCCC 34a_100011995851_100000730704 [0,1,0,0,0,0|3,0,0]=4 2817 B12R0.95 C=C(C)CCOCC(C)CCCC 7a_100011995851_100000730704 [0,1,0,0,0,0|3,0,0]=4 2818 B12R0.95 C=C(C)CCOC[C@@H](N)CCCC 34a_100011934283_100000730704 [0,1,0,0,0,0|3,0,0]=4 2819 B12R0.95 CC(=O)CCCCN(C)CCCO 269982a_100000213112_100000735457 [0,1,0,0,0,0|3,0,0]=4 2820 B12R0.95 CC(=O)CCCOC(C)CCCCl 34a_200000718107_100000685027 [0,1,0,0,0,0|3,0,0]=4 2821 B12R0.95 CC(=O)CCCOC(C)CCCCl 7a_200000718107_100011215641 [0,1,0,0,0,0|3,0,0]=4 2822 B12R0.95 CC(CCCCl)OCCCC(=O)N 34a_200000718107_100102525003 [0,1,0,0,0,0|3,0,0]=4 2823 B12R0.95 CC(CCCCl)OCCCC(=O)N 7a_200000718107_100102525003 [0,1,0,0,0,0|3,0,0]=4 2824 B12R0.95 CCCCC(=O)CCCCB(O)O 1458a_100000210183_200009817182 [0,1,0,0,0,0|1,0,2]=4 2825 B12R0.95 CCCCC(=O)CCCCC(=O)C 1458a_100000210183_100000735457 [0,1,0,0,0,0|1,0,1]=3 2826 B12R0.95 CCCCC(=O)CCCNC(=O)C 1458a_100000194741_100000210211 [0,1,0,0,0,0|2,0,1]=4 2827 B12R0.95 CCCCC(=O)CCCOC(=O)C 1458a_100000210183_100000042594 [0,1,0,0,0,0|2,0,1]=4 2828 B12R0.95 CCCCC(=O)CCCSC(=O)C 1458a_100000210183_100000038929 [0,1,0,0,0,0|2,0,1]=4 2829 B12R0.95 CCCCC(=O)CCOCC(=O)N 1458a_100000210183_100000076697 [0,1,0,0,0,0|2,0,1]=4 2830 B12R0.95 CCCCC(=O)CCSCC(=O)N 1458a_100000148550_100000210211 [0,1,0,0,0,0|2,0,1]=4 2831 B12R0.95 CCCCC(=O)NCCCC(=O)N 240690a_100000739312_100000210183 [0,1,0,0,0,0|2,0,1]=4 2832 B12R0.95 CCCCC(=O)NCCCC(=O)N 527a_100000739312_100000210183 [0,1,0,0,0,0|2,0,1]=4 2833 B12R0.95 CCCCC(C)COCCC(=O)C 7a_100011995851_100000053229 [0,1,0,0,0,0|2,0,0]=3 2834 B12R0.95 CCCCC(C)COCCC(=O)N 34a_100011995851_100000731001 [0,1,0,0,0,0|2,0,0]=3 2835 B12R0.95 CCCCC(C)COCCC(=O)N 7a_100011995851_100000744528 [0,1,0,0,0,0|2,0,0]=3 2836 B12R0.95 CCCCC(C)COCCC(C)O 34a_100011995851_100012276601 [0,1,0,0,0,0|2,0,1]=4 2837 B12R0.95 CCCCC(C)COCCC(C)O 7a_100011995851_100012276601 [0,1,0,0,0,0|2,0,1]=4 2838 B12R0.95 CCCCC(C)COCOC(=O)C 34a_100011995851_100009813279 [0,1,0,0,0,0|3,0,0]=4 2839 B12R0.95 CCCCC(C)NCCCC(=O)N 34a_100000739312_200011215066 [0,1,0,0,0,0|2,0,0]=3 2840 B12R0.95 CCCCC(C)NCCCC(C)O 2230a_100000126638_200000718107 [0,1,0,0,0,0|2,0,1]=4 2841 B12R0.95 CCCCC(C)NCCCS(=O)C 2230a_200000753449_200011215066 [0,1,0,0,0,0|3,0,0]=4 2842 B12R0.95 CCCCC(C)NCCCS(=O)C 270004a_200000753449_100000210087 [0,1,0,0,0,0|3,0,0]=4 2843 B12R0.95 CCCCC(C)NCCNC(=O)C 2230a_100000126638_100000189650 [0,1,0,0,0,0|3,0,0]=4 2844 B12R0.95 CCCCC(C)NCCNC(=O)C 2230a_100000209853_200011215066 [0,1,0,0,0,0|3,0,0]=4 2845 B12R0.95 CCCCC(C)NCCNC(=O)N 2230a_100000126638_200000034859 [0,1,0,0,0,0|3,0,0]=4 2846 B12R0.95 CCCCC(C)NCCNC(=O)N 34a_100020590234_200011215066 [0,1,0,0,0,0|3,0,0]=4 2847 B12R0.95 CCCCC(C)OCCCC(=O)C 34a_100000687866_100000685027 [0,1,0,0,0,0|2,0,0]=3 2848 B12R0.95 CCCCC(C)OCCCC(=O)C 34a_100000759063_200011215066 [0,1,0,0,0,0|2,0,0]=3 2849 B12R0.95 CCCCC(C)OCCCC(=O)C 7a_100000687866_100011215641 [0,1,0,0,0,0|2,0,0]=3 2850 B12R0.95 CCCCC(C)OCCCC(=O)C 7a_100000759063_200011215066 [0,1,0,0,0,0|2,0,0]=3 2851 B12R0.95 CCCCC(C)OCCCC(=O)N 34a_100000687866_100102525003 [0,1,0,0,0,0|2,0,0]=3 2852 B12R0.95 CCCCC(C)OCCCC(=O)N 7a_100000687866_100102525003 [0,1,0,0,0,0|2,0,0]=3 2853 B12R0.95 CCCCC(C)OCCCC(C)O 34a_100000687866_200000718107 [0,1,0,0,0,0|2,0,1]=4 2854 B12R0.95 CCCCC(C)OCCCC(C)O 7a_100000687866_200000718107 [0,1,0,0,0,0|2,0,1]=4 2855 B12R0.95 CCCCC(C)OCCC[N+](=O)[O-] 34a_200000037920_200011215066 [0,1,0,0,0,0|2,0,1]=4 2856 B12R0.95 CCCCC(C)OCCNC(=O)C 34a_100000158858_200011215066 [0,1,0,0,0,0|3,0,0]=4 2857 B12R0.95 CCCCC(C)OCCNC(=O)C 7a_100000687866_100000189650 [0,1,0,0,0,0|3,0,0]=4 2858 B12R0.95 CCCCC(C)OCCNC(=O)N 34a_100000181757_200011215066 [0,1,0,0,0,0|3,0,0]=4 2859 B12R0.95 CCCCC(C)OCCNC(=O)N 7a_100000687866_200000034859 [0,1,0,0,0,0|3,0,0]=4 2860 B12R0.95 CCCCC(C)OCCOC(=O)C 34a_100000687866_100009814007 [0,1,0,0,0,0|3,0,0]=4 2861 B12R0.95 CCCCC(C)OCCOC(=O)C 7a_100000687866_100009814007 [0,1,0,0,0,0|3,0,0]=4 2862 B12R0.95 CCCCC(C)OCCOC(=O)N 34a_100000687866_200011214921 [0,1,0,0,0,0|3,0,0]=4 2863 B12R0.95 CCCCC(C)OCCOC(=O)N 7a_100000687866_200011214921 [0,1,0,0,0,0|3,0,0]=4 2864 B12R0.95 CCCCC(C)OCCOC(=O)N 7a_100000766696_200011215066 [0,1,0,0,0,0|3,0,0]=4 2865 B12R0.95 CCCCC(C)SCCCC(=O)C 62a_100011215641_200011215066 [0,1,0,0,0,0|2,0,0]=3 2866 B12R0.95 CCCCC(C)SCCCC(=O)C 62a_200011215066_100011215641 [0,1,0,0,0,0|2,0,0]=3 2867 B12R0.95 CCCCC(C)SCCCC(=O)N 62a_100102525003_200011215066 [0,1,0,0,0,0|2,0,0]=3 2868 B12R0.95 CCCCC(C)SCCCC(=O)N 62a_200011215066_100102525003 [0,1,0,0,0,0|2,0,0]=3 2869 B12R0.95 CCCCC(C)SCCCC(C)O 62a_200000718107_200011215066 [0,1,0,0,0,0|2,0,1]=4 2870 B12R0.95 CCCCC(C)SCCCC(C)O 62a_200011215066_200000718107 [0,1,0,0,0,0|2,0,1]=4 2871 B12R0.95 CCCCC(C)SCCNC(=O)C 62a_100000189650_200011215066 [0,1,0,0,0,0|3,0,0]=4 2872 B12R0.95 CCCCC(C)SCCNC(=O)C 62a_200011215066_100000189650 [0,1,0,0,0,0|3,0,0]=4 2873 B12R0.95 CCCCC(C)SCCNC(=O)N 62a_200000034859_200011215066 [0,1,0,0,0,0|3,0,0]=4 2874 B12R0.95 CCCCC(C)SCCNC(=O)N 62a_200011215066_200000034859 [0,1,0,0,0,0|3,0,0]=4 2875 B12R0.95 CCCCC(C)SCCOC(=O)C 62a_100009814007_200011215066 [0,1,0,0,0,0|3,0,0]=4 2876 B12R0.95 CCCCC(C)SCCOC(=O)C 62a_200011215066_100009814007 [0,1,0,0,0,0|3,0,0]=4 2877 B12R0.95 CCCCC(C)SCCOC(=O)N 62a_200011214921_200011215066 [0,1,0,0,0,0|3,0,0]=4 2878 B12R0.95 CCCCC(C)SCCOC(=O)N 62a_200011215066_200011214921 [0,1,0,0,0,0|3,0,0]=4 2879 B12R0.95 CCCCN(C)CCCCB(O)O 2230a_100000207549_200009817182 [0,1,0,0,0,0|2,0,1]=4 2880 B12R0.95 CCCCN(C)CCCCB(O)O 269982a_100000207549_200009817182 [0,1,0,0,0,0|2,0,1]=4 2881 B12R0.95 CCCCN(C)CCCCC(=O)C 269982a_100000207549_100000735457 [0,1,0,0,0,0|2,0,0]=3 2882 B12R0.95 CCCCN(C)CCCOC(=O)C 269982a_100000207549_100000042594 [0,1,0,0,0,0|3,0,0]=4 2883 B12R0.95 CCCCN(C)CCCSC(=O)C 2230a_100000207549_100000038929 [0,1,0,0,0,0|3,0,0]=4 2884 B12R0.95 CCCCN(C)CCCSC(=O)C 269982a_100000207549_100000038929 [0,1,0,0,0,0|3,0,0]=4 2885 B12R0.95 CCCCN(C)CCOCC(=O)N 2230a_100000207549_100000076697 [0,1,0,0,0,0|3,0,0]=4 2886 B12R0.95 CCCCN(C)CCOCC(=O)N 269982a_100000207549_100000076697 [0,1,0,0,0,0|3,0,0]=4 2887 B12R0.95 CCCC[C@H](N)COCCC(=O)N 34a_100011934283_100000731001 [0,1,0,0,0,0|2,0,0]=3 2888 B12R0.95 CCCC[C@H](N)COCCC(C)O 34a_100011934283_100012276601 [0,1,0,0,0,0|2,0,1]=4 2889 B12R0.95 CCCC[C@H](N)COCOC(=O)C 34a_100011934283_100009813279 [0,1,0,0,0,0|3,0,0]=4 2890 B12R0.95 CCCOC(C)CNCCC(=O)N 2230a_100015185124_100000744528 [0,1,0,0,0,0|3,0,0]=4 2891 B12R0.95 CCCOC(C)CNCCC(=O)N 34a_100015185124_100000731001 [0,1,0,0,0,0|3,0,0]=4 2892 B12R0.95 CCOCC(=O)CCCCC(=O)C 1458a_100000211967_100000735457 [0,1,0,0,0,0|2,0,1]=4 2893 B12R0.95 CCOCC(C)OCCCC(=O)C 34a_100000718985_100000685027 [0,1,0,0,0,0|3,0,0]=4 2894 B12R0.95 CCOCC(C)OCCCC(=O)C 7a_100000718985_100011215641 [0,1,0,0,0,0|3,0,0]=4 2895 B12R0.95 CCOCC(C)OCCCC(=O)N 34a_100000718985_100102525003 [0,1,0,0,0,0|3,0,0]=4 2896 B12R0.95 CCOCC(C)OCCCC(=O)N 7a_100000718985_100102525003 [0,1,0,0,0,0|3,0,0]=4 2897 B12R0.95 CCOCC(O)CNCCC(=O)N 2230a_102515437182_100000744528 [0,1,0,0,0,0|3,0,0]=4 2898 B12R0.95 CCOCC(O)CNCCC(=O)N 34a_102515437182_100000731001 [0,1,0,0,0,0|3,0,0]=4 2899 B12R0.95 CCSCC(=O)CCCCC(=O)C 1458a_100000230394_100000735457 [0,1,0,0,0,0|2,0,1]=4 2900 B12R0.95 COCCC(=O)CCCCC(=O)C 1458a_100000749529_100000735457 [0,1,0,0,0,0|2,0,1]=4 2901 B12R0.95 COCCN(C)CCCCC(=O)C 269982a_100000743101_100000735457 [0,1,0,0,0,0|3,0,0]=4 2902 B12R0.95 CSCCC(=O)CCCCC(=O)C 1458a_100000174002_100000735457 [0,1,0,0,0,0|2,0,1]=4 2903 B12R0.95 CSCCN(C)CCCCC(=O)C 269982a_100000686725_100000735457 [0,1,0,0,0,0|3,0,0]=4 2904 B12R0.95 CSCC[C@H](N)COCCC(=O)N 34a_100011827619_100000731001 [0,1,0,0,0,0|3,0,0]=4 2905 B12R0.95 C[C@H](CCCO)CNCCC(=O)N 2230a_100160569302_100000744528 [0,1,0,0,0,0|3,0,0]=4 2906 B12R0.95 C[C@H](CCCO)CNCCC(=O)N 34a_100160569302_100000731001 [0,1,0,0,0,0|3,0,0]=4 2907 B12R0.119 CCCCCCCCNS(=O)(=O)C 40a_100000229939_100000738038 [0,1,0,0,0,0|2,0,1]=4 2908 B12R0.119 CCCCCCCNCC(C)(C)O 2230a_100000751335_100000210681 [0,1,0,0,0,0|2,0,1]=4 2909 B12R0.119 CCCCCCCOCC(C)(C)O 34a_100000210272_100000764493 [0,1,0,0,0,0|2,0,1]=4 2910 B12R0.119 CCCCCCCOCC(C)(C)O 7a_100000210272_100000764493 [0,1,0,0,0,0|2,0,1]=4 2911 B12R0.119 CCCCCCCOCS(=O)(=O)[O-] 34a_100000210272_100009817235 [0,1,0,0,0,0|2,0,1]=4 2912 B12R0.119 CCCCCCCSCC(C)(C)O 62a_100000210614_100000764493 [0,1,0,0,0,0|2,0,1]=4 2913 B12R0.119 CCCCCCCSCC(C)(C)O 62a_100000764493_100000210316 [0,1,0,0,0,0|2,0,1]=4 2914 B12R0.119 CCCCCCCSCS(=O)(=O)N 62a_100000210614_100000741382 [0,1,0,0,0,0|2,0,1]=4 2915 B12R0.119 CCCCCCCSCS(=O)(=O)N 62a_100000741382_100000210316 [0,1,0,0,0,0|2,0,1]=4 2916 B12R0.119 CCCCCCCSCS(=O)(=O)[O-] 62a_100000210614_100009817235 [0,1,0,0,0,0|2,0,1]=4 2917 B12R0.119 CCCCCCCSCS(=O)(=O)[O-] 62a_100009817235_100000210316 [0,1,0,0,0,0|2,0,1]=4 2918 B12R0.119 CCCCCCNCCC(C)(C)O 2230a_100000210581_100000702414 [0,1,0,0,0,0|2,0,1]=4 2919 B12R0.119 CCCCCCNCCS(=O)(=O)C 2230a_100000210581_100000731031 [0,1,0,0,0,0|2,0,1]=4 2920 B12R0.119 CCCCCCNCCS(=O)(=O)C 2230a_100000740961_100000210314 [0,1,0,0,0,0|2,0,1]=4 2921 B12R0.119 CCCCCCNCCS(=O)(=O)C 34a_100000740961_100000210314 [0,1,0,0,0,0|2,0,1]=4 2922 B12R0.119 CCCCCCNCCS(=O)(=O)N 2230a_100000738205_100000210314 [0,1,0,0,0,0|2,0,1]=4 2923 B12R0.119 CCCCCCNCCS(=O)(=O)N 34a_100000738205_100000210314 [0,1,0,0,0,0|2,0,1]=4 2924 B12R0.119 CCCCCCNCCS(=O)(=O)[O-] 2230a_100000210581_100000737633 [0,1,0,0,0,0|2,0,1]=4 2925 B12R0.119 CCCCCCOCCC(C)(C)O 34a_100000210259_100000702414 [0,1,0,0,0,0|2,0,1]=4 2926 B12R0.119 CCCCCCOCCC(C)(C)O 7a_100000210259_100000702414 [0,1,0,0,0,0|2,0,1]=4 2927 B12R0.119 CCCCCCOCCS(=O)(=O)C 34a_100000210259_100000731031 [0,1,0,0,0,0|2,0,1]=4 2928 B12R0.119 CCCCCCOCCS(=O)(=O)C 34a_100000211924_100000210314 [0,1,0,0,0,0|2,0,1]=4 2929 B12R0.119 CCCCCCOCCS(=O)(=O)C 7a_100000210259_100000230027 [0,1,0,0,0,0|2,0,1]=4 2930 B12R0.119 CCCCCCOCCS(=O)(=O)C 7a_100000211924_100000210314 [0,1,0,0,0,0|2,0,1]=4 2931 B12R0.119 CCCCCCOCCS(=O)(=O)N 34a_100012334274_100000210314 [0,1,0,0,0,0|2,0,1]=4 2932 B12R0.119 CCCCCCOCCS(=O)(=O)[O-] 34a_100000210259_100000762736 [0,1,0,0,0,0|2,0,1]=4 2933 B12R0.119 CCCCCCSCCC(C)(C)O 62a_100000210314_100000702414 [0,1,0,0,0,0|2,0,1]=4 2934 B12R0.119 CCCCCCSCCC(C)(C)O 62a_100000702414_100000210757 [0,1,0,0,0,0|2,0,1]=4 2935 B12R0.119 CCCCCCSCCS(=O)(=O)C 62a_100000210314_100000230027 [0,1,0,0,0,0|2,0,1]=4 2936 B12R0.119 CCCCCCSCCS(=O)(=O)C 62a_100000731031_100000210757 [0,1,0,0,0,0|2,0,1]=4 2937 B12R0.119 CCCCCCSCCS(=O)(=O)[O-] 62a_100000210314_100000762736 [0,1,0,0,0,0|2,0,1]=4 2938 B12R0.119 CCCCCCSCCS(=O)(=O)[O-] 62a_100000762736_100000210757 [0,1,0,0,0,0|2,0,1]=4 2939 B12R0.119 CCCCCNCCCC(C)(C)O 2230a_100000209983_100009888830 [0,1,0,0,0,0|2,0,1]=4 2940 B12R0.119 CCCCCNCCCS(=O)(=O)C 2230a_100000209983_100000754308 [0,1,0,0,0,0|2,0,1]=4 2941 B12R0.119 CCCCCNCCCS(=O)(=O)C 2230a_100000742409_100000210326 [0,1,0,0,0,0|2,0,1]=4 2942 B12R0.119 CCCCCNCCCS(=O)(=O)C 34a_100000742409_100000718602 [0,1,0,0,0,0|2,0,1]=4 2943 B12R0.119 CCCCCNCCCS(=O)(=O)N 2230a_100000209983_100000750626 [0,1,0,0,0,0|2,0,1]=4 2944 B12R0.119 CCCCCOCCCC(C)(C)O 34a_100000210253_100009888830 [0,1,0,0,0,0|2,0,1]=4 2945 B12R0.119 CCCCCOCCCC(C)(C)O 7a_100000210253_100009888830 [0,1,0,0,0,0|2,0,1]=4 2946 B12R0.119 CCCCCOCCCS(=O)(=O)C 34a_100000210253_100000754308 [0,1,0,0,0,0|2,0,1]=4 2947 B12R0.119 CCCCCOCCCS(=O)(=O)C 34a_100000689940_100000718602 [0,1,0,0,0,0|2,0,1]=4 2948 B12R0.119 CCCCCOCCCS(=O)(=O)C 7a_100000210253_100000754308 [0,1,0,0,0,0|2,0,1]=4 2949 B12R0.119 CCCCCOCCCS(=O)(=O)C 7a_100000689940_100000210326 [0,1,0,0,0,0|2,0,1]=4 2950 B12R0.119 CCCCCOCCCS(=O)(=O)N 34a_100000210253_100000750626 [0,1,0,0,0,0|2,0,1]=4 2951 B12R0.119 CCCCCOCCCS(=O)(=O)N 7a_100000210253_100000750626 [0,1,0,0,0,0|2,0,1]=4 2952 B12R0.119 CCCCCOCCCS(=O)(=O)[O-] 34a_100000210253_100009813499 [0,1,0,0,0,0|2,0,1]=4 2953 B12R0.119 CCCCCSCCCC(C)(C)O 62a_100000210326_100009888830 [0,1,0,0,0,0|2,0,1]=4 2954 B12R0.119 CCCCCSCCCC(C)(C)O 62a_100009888830_100000210326 [0,1,0,0,0,0|2,0,1]=4 2955 B12R0.119 CCCCCSCCCS(=O)(=O)C 62a_100000210326_100000754308 [0,1,0,0,0,0|2,0,1]=4 2956 B12R0.119 CCCCCSCCCS(=O)(=O)C 62a_100000754308_100000210326 [0,1,0,0,0,0|2,0,1]=4 2957 B12R0.119 CCCCCSCCCS(=O)(=O)N 62a_100000210326_100000750626 [0,1,0,0,0,0|2,0,1]=4 2958 B12R0.119 CCCCCSCCCS(=O)(=O)N 62a_100000750626_100000210326 [0,1,0,0,0,0|2,0,1]=4 2959 B12R0.119 CCCCCSCCCS(=O)(=O)[O-] 62a_100000210326_100009813499 [0,1,0,0,0,0|2,0,1]=4 2960 B12R0.119 CCCCCSCCCS(=O)(=O)[O-] 62a_100009813499_100000210326 [0,1,0,0,0,0|2,0,1]=4 2961 B12R0.119 CCCOCCCCCC(C)(C)O 34a_100000210258_100010402123 [0,1,0,0,0,0|2,0,1]=4 2962 B12R0.119 CCCSCCCCCC(C)(C)O 62a_100000210303_100010402123 [0,1,0,0,0,0|2,0,1]=4 2963 B12R0.119 CCCSCCCCCC(C)(C)O 62a_100010402123_100000210303 [0,1,0,0,0,0|2,0,1]=4 2964 B12R0.184 C=C(C)CCOCCCC(C)CC 7a_100011216074_100000730704 [0,1,0,0,0,0|3,0,0]=4 2965 B12R0.184 CC(=O)CCCCNCC(C)CO 34a_100000744482_100009817362 [0,1,0,0,0,0|3,0,0]=4 2966 B12R0.184 CC(=O)CCCCNC[C@@H](F)CO 34a_100015665980_100009817362 [0,1,0,0,0,0|3,0,0]=4 2967 B12R0.184 CC(=O)CCCCOCC(C)CN 34a_100000744482_100009817362 [0,1,0,0,0,0|3,0,0]=4 2968 B12R0.184 CC(=O)CCCCOCC(Cl)CCl 34a_100000033668_100009817362 [0,1,0,0,0,0|3,0,0]=4 2969 B12R0.184 CC(=O)CCCCOC[C@H](F)CN 34a_100015665980_100009817362 [0,1,0,0,0,0|3,0,0]=4 2970 B12R0.184 CC(=O)CCCCSCC(O)CO 62a_100000735457_100011219619 [0,1,0,0,0,0|3,0,0]=4 2971 B12R0.184 CC(=O)CCCCSCC(O)CO 62a_100011219619_100000735457 [0,1,0,0,0,0|3,0,0]=4 2972 B12R0.184 CC(=O)CCCCSC[C@@H](C)CO 62a_100000059175_100000735457 [0,1,0,0,0,0|3,0,0]=4 2973 B12R0.184 CC(=O)CCCCSC[C@@H](C)CO 62a_100000735457_100000059175 [0,1,0,0,0,0|3,0,0]=4 2974 B12R0.184 CC(=O)CCCCSC[C@@H](O)CF 62a_100000735457_100015614560 [0,1,0,0,0,0|3,0,0]=4 2975 B12R0.184 CC(=O)CCCCSC[C@@H](O)CF 62a_100015614560_100000735457 [0,1,0,0,0,0|3,0,0]=4 2976 B12R0.184 CC(=O)CCCCSC[C@@H](O)CO 62a_100000735457_100009815848 [0,1,0,0,0,0|3,0,0]=4 2977 B12R0.184 CC(=O)CCCCSC[C@@H](O)CO 62a_100009815848_100000735457 [0,1,0,0,0,0|3,0,0]=4 2978 B12R0.184 CC(=O)CCCNCCC(C)CO 34a_106354213184_100000685027 [0,1,0,0,0,0|3,0,0]=4 2979 B12R0.184 CC(CF)OCCCCCC(=O)N 34a_100016041109_100009817443 [0,1,0,0,0,0|3,0,0]=4 2980 B12R0.184 CC(CF)OCCCCCC(=O)N 7a_100016041109_100009817443 [0,1,0,0,0,0|3,0,0]=4 2981 B12R0.184 CC(CN)OCCCCCC(=O)N 34a_100000210904_100009817443 [0,1,0,0,0,0|3,0,0]=4 2982 B12R0.184 CC(CO)CCNCCCC(=O)N 34a_106354213184_100102525003 [0,1,0,0,0,0|3,0,0]=4 2983 B12R0.184 CC(CO)OCCCCCC(=O)N 34a_100000123541_100012180447 [0,1,0,0,0,0|3,0,0]=4 2984 B12R0.184 CC(CO)OCCCCCC(=O)N 7a_100000123541_100012180447 [0,1,0,0,0,0|3,0,0]=4 2985 B12R0.184 CC(CO)OCCCCCC(=O)[O-] 7a_100102619762_100012180447 [0,1,0,0,0,0|2,0,1]=4 2986 B12R0.184 CC(CO)SCCCCCC(=O)N 62a_100012180447_100009817443 [0,1,0,0,0,0|3,0,0]=4 2987 B12R0.184 CCC(=O)CCCCCCB(O)O 1458a_100000210414_100009817187 [0,1,0,0,0,0|1,0,2]=4 2988 B12R0.184 CCC(=O)CCCCCNC(=O)C 1458a_100000183861_100000210202 [0,1,0,0,0,0|2,0,1]=4 2989 B12R0.184 CCC(=O)CCCCCOC(=O)C 1458a_100000210414_100000033007 [0,1,0,0,0,0|2,0,1]=4 2990 B12R0.184 CCC(=O)CNCCOCC(=O)O 269956a_100000700818_100000747405 [0,1,0,0,0,0|2,0,1]=4 2991 B12R0.184 CCC(=O)COCCCCC(=O)C 34a_100000725409_100009817362 [0,1,0,0,0,0|2,0,1]=4 2992 B12R0.184 CCC(=O)COCCCCC(=O)N 7a_100012022536_100000747405 [0,1,0,0,0,0|2,0,1]=4 2993 B12R0.184 CCC(=O)CSCCCCC(=O)C 62a_100000735457_100000747405 [0,1,0,0,0,0|2,0,1]=4 2994 B12R0.184 CCC(=O)CSCCCCC(=O)C 62a_100000747405_100000735457 [0,1,0,0,0,0|2,0,1]=4 2995 B12R0.184 CCC(C)CCCOCCC(=O)C 7a_100011216074_100000053229 [0,1,0,0,0,0|2,0,0]=3 2996 B12R0.184 CCC(C)CCCOCCC(=O)N 7a_100011216074_100000744528 [0,1,0,0,0,0|2,0,0]=3 2997 B12R0.184 CCC(C)CCCOCCC(C)O 7a_100011216074_100012276601 [0,1,0,0,0,0|2,0,1]=4 2998 B12R0.184 CCC(C)CCNCCCC(C)O 2230a_100020591266_200000718107 [0,1,0,0,0,0|2,0,1]=4 2999 B12R0.184 CCC(C)CCNCCNC(=O)C 2230a_100020591266_100000189650 [0,1,0,0,0,0|3,0,0]=4 3000 B12R0.184 CCC(C)CCNCCNC(=O)N 2230a_100020591266_200000034859 [0,1,0,0,0,0|3,0,0]=4 3001 B12R0.184 CCC(C)CCOCCCC(=O)C 7a_100011215188_100011215641 [0,1,0,0,0,0|2,0,0]=3 3002 B12R0.184 CCC(C)CCOCCCC(=O)N 7a_100011215188_100102525003 [0,1,0,0,0,0|2,0,0]=3 3003 B12R0.184 CCC(C)CCOCCCC(C)O 7a_100011215188_200000718107 [0,1,0,0,0,0|2,0,1]=4 3004 B12R0.184 CCC(C)CCOCCNC(=O)C 7a_100011215188_100000189650 [0,1,0,0,0,0|3,0,0]=4 3005 B12R0.184 CCC(C)CCOCCNC(=O)N 7a_100011215188_200000034859 [0,1,0,0,0,0|3,0,0]=4 3006 B12R0.184 CCC(C)CCOCCOC(=O)C 7a_100011215188_100009814007 [0,1,0,0,0,0|3,0,0]=4 3007 B12R0.184 CCC(C)CCOCCOC(=O)N 7a_100011215188_200011214921 [0,1,0,0,0,0|3,0,0]=4 3008 B12R0.184 CCC(C)CNCCCCB(O)O 2230a_100020588543_200009817182 [0,1,0,0,0,0|2,0,1]=4 3009 B12R0.184 CCC(C)CNCCCCC(=O)N 270004a_100000696515_100000243153 [0,1,0,0,0,0|2,0,0]=3 3010 B12R0.184 CCC(C)CNCCCCC(=O)N 34a_100000696515_100000748023 [0,1,0,0,0,0|2,0,0]=3 3011 B12R0.184 CCC(C)CNCCCNC(=O)C 270004a_100000736810_100000243153 [0,1,0,0,0,0|3,0,0]=4 3012 B12R0.184 CCC(C)CNCCCNC(=O)C 34a_100000736810_100000748023 [0,1,0,0,0,0|3,0,0]=4 3013 B12R0.184 CCC(C)CNCCCSC(=O)C 2230a_100020588543_100000038929 [0,1,0,0,0,0|3,0,0]=4 3014 B12R0.184 CCC(C)CNCCOCC(=O)N 2230a_100020588543_100000076697 [0,1,0,0,0,0|3,0,0]=4 3015 B12R0.184 CCC(C)CNCCOCC(=O)O 269956a_100000700818_100000748023 [0,1,0,0,0,0|2,0,0]=3 3016 B12R0.184 CCC(C)COCCCCC(=O)N 34a_100012022536_100000748023 [0,1,0,0,0,0|2,0,0]=3 3017 B12R0.184 CCC(C)COCCCCC(=O)N 7a_100012022536_100000748023 [0,1,0,0,0,0|2,0,0]=3 3018 B12R0.184 CCC(C)COCCCC[N+](=O)[O-] 34a_200015379883_100000748023 [0,1,0,0,0,0|2,0,1]=4 3019 B12R0.184 CCC(C)COCCCC[N+](=O)[O-] 7a_200015379883_100000748023 [0,1,0,0,0,0|2,0,1]=4 3020 B12R0.184 CCC(C)COCCCNC(=O)C 34a_100000752032_100000748023 [0,1,0,0,0,0|3,0,0]=4 3021 B12R0.184 CCC(C)CSCCCCB(O)O 62a_100000748023_200009817182 [0,1,0,0,0,0|2,0,1]=4 3022 B12R0.184 CCC(C)CSCCCCB(O)O 62a_200009817182_100000748023 [0,1,0,0,0,0|2,0,1]=4 3023 B12R0.184 CCC(C)CSCCCCC(=O)C 62a_100000735457_100000748023 [0,1,0,0,0,0|2,0,0]=3 3024 B12R0.184 CCC(C)CSCCCCC(=O)C 62a_100000748023_100000735457 [0,1,0,0,0,0|2,0,0]=3 3025 B12R0.184 CCC(C)CSCCCOC(=O)C 62a_100000042594_100000748023 [0,1,0,0,0,0|3,0,0]=4 3026 B12R0.184 CCC(C)CSCCCOC(=O)C 62a_100000748023_100000042594 [0,1,0,0,0,0|3,0,0]=4 3027 B12R0.184 CCC(C)CSCCCSC(=O)C 62a_100000038929_100000748023 [0,1,0,0,0,0|3,0,0]=4 3028 B12R0.184 CCC(C)CSCCCSC(=O)C 62a_100000748023_100000038929 [0,1,0,0,0,0|3,0,0]=4 3029 B12R0.184 CCC(C)CSCCOCC(=O)N 62a_100000076697_100000748023 [0,1,0,0,0,0|3,0,0]=4 3030 B12R0.184 CCC(C)CSCCOCC(=O)N 62a_100000748023_100000076697 [0,1,0,0,0,0|3,0,0]=4 3031 B12R0.184 CCC(C)NCCCCCB(O)O 2230a_100000209981_200009817188 [0,1,0,0,0,0|2,0,1]=4 3032 B12R0.184 CCC(C)NCCCCCC(=O)N 2230a_100000209981_100009817443 [0,1,0,0,0,0|2,0,0]=3 3033 B12R0.184 CCC(C)NCCCCNC(=O)C 2230a_200011368371_100000758301 [0,1,0,0,0,0|3,0,0]=4 3034 B12R0.184 CCC(C)NCCCCNC(=O)C 34a_200011368371_100011215416 [0,1,0,0,0,0|3,0,0]=4 3035 B12R0.184 CCC(C)NCCCCSC(=O)C 2230a_100000209981_200010402107 [0,1,0,0,0,0|3,0,0]=4 3036 B12R0.184 CCC(C)OCCCCCB(O)O 7a_100000210228_200009817188 [0,1,0,0,0,0|2,0,1]=4 3037 B12R0.184 CCC(C)OCCCCCC(=O)N 34a_100000123541_100011215416 [0,1,0,0,0,0|2,0,0]=3 3038 B12R0.184 CCC(C)OCCCCCC(=O)N 7a_100000123541_100000758301 [0,1,0,0,0,0|2,0,0]=3 3039 B12R0.184 CCC(C)OCCCCCC(=O)N 7a_100000210228_100009817443 [0,1,0,0,0,0|2,0,0]=3 3040 B12R0.184 CCC(C)OCCCCCC(=O)[O-] 7a_100102619762_100000758301 [0,1,0,0,0,0|1,0,1]=3 3041 B12R0.184 CCC(C)OCCCCOC(=O)C 34a_100000073216_100011215416 [0,1,0,0,0,0|3,0,0]=4 3042 B12R0.184 CCC(C)OCCCCOC(=O)C 7a_100000073216_100000758301 [0,1,0,0,0,0|3,0,0]=4 3043 B12R0.184 CCC(C)OCCCCOC(=O)C 7a_100000210228_100000033659 [0,1,0,0,0,0|3,0,0]=4 3044 B12R0.184 CCC(C)OCCCCSC(=O)C 7a_100000210228_200010402107 [0,1,0,0,0,0|3,0,0]=4 3045 B12R0.184 CCC(C)SCCCCCB(O)O 62a_100000758301_200009817188 [0,1,0,0,0,0|2,0,1]=4 3046 B12R0.184 CCC(C)SCCCCCB(O)O 62a_200009817188_100000758301 [0,1,0,0,0,0|2,0,1]=4 3047 B12R0.184 CCC(C)SCCCCCC(=O)N 62a_100000758301_100009817443 [0,1,0,0,0,0|2,0,0]=3 3048 B12R0.184 CCC(C)SCCCCCC(=O)N 62a_100009817443_100000758301 [0,1,0,0,0,0|2,0,0]=3 3049 B12R0.184 CCC(C)SCCCCOC(=O)C 62a_100000033659_100000758301 [0,1,0,0,0,0|3,0,0]=4 3050 B12R0.184 CCC(C)SCCCCOC(=O)C 62a_100000758301_100000033659 [0,1,0,0,0,0|3,0,0]=4 3051 B12R0.184 CCC(C)SCCCCSC(=O)C 62a_100000758301_200010402107 [0,1,0,0,0,0|3,0,0]=4 3052 B12R0.184 CCC(C)SCCCCSC(=O)C 62a_200010402107_100000758301 [0,1,0,0,0,0|3,0,0]=4 3053 B12R0.184 CCC(O)CNCCCCB(O)O 2230a_100011218483_200009817182 [0,1,0,0,0,0|2,0,1]=4 3054 B12R0.184 CCC(O)CNCCCCC(=O)N 34a_100000696515_100011218378 [0,1,0,0,0,0|2,0,0]=3 3055 B12R0.184 CCC(O)CNCCCNC(=O)C 34a_100000736810_100011218378 [0,1,0,0,0,0|3,0,0]=4 3056 B12R0.184 CCC(O)CNCCCSC(=O)C 2230a_100011218483_100000038929 [0,1,0,0,0,0|3,0,0]=4 3057 B12R0.184 CCC(O)CNCCOCC(=O)N 2230a_100011218483_100000076697 [0,1,0,0,0,0|3,0,0]=4 3058 B12R0.184 CCC(O)CNCCOCC(=O)O 269956a_100000700818_100011218378 [0,1,0,0,0,0|2,0,0]=3 3059 B12R0.184 CCC(O)COCCCCC(=O)N 34a_100012022536_100011218378 [0,1,0,0,0,0|2,0,0]=3 3060 B12R0.184 CCC(O)COCCCCC(=O)N 7a_100012022536_100011218378 [0,1,0,0,0,0|2,0,0]=3 3061 B12R0.184 CCC(O)COCCCC[N+](=O)[O-] 34a_200015379883_100011218378 [0,1,0,0,0,0|2,0,1]=4 3062 B12R0.184 CCC(O)COCCCC[N+](=O)[O-] 7a_200015379883_100011218378 [0,1,0,0,0,0|2,0,1]=4 3063 B12R0.184 CCC(O)COCCCNC(=O)C 34a_100000752032_100011218378 [0,1,0,0,0,0|3,0,0]=4 3064 B12R0.184 CCC(O)CSCCCCB(O)O 62a_100011218378_200009817182 [0,1,0,0,0,0|2,0,1]=4 3065 B12R0.184 CCC(O)CSCCCCB(O)O 62a_200009817182_100011218378 [0,1,0,0,0,0|2,0,1]=4 3066 B12R0.184 CCC(O)CSCCCCC(=O)C 62a_100000735457_100011218378 [0,1,0,0,0,0|2,0,0]=3 3067 B12R0.184 CCC(O)CSCCCCC(=O)C 62a_100011218378_100000735457 [0,1,0,0,0,0|2,0,0]=3 3068 B12R0.184 CCC(O)CSCCCOC(=O)C 62a_100000042594_100011218378 [0,1,0,0,0,0|3,0,0]=4 3069 B12R0.184 CCC(O)CSCCCOC(=O)C 62a_100011218378_100000042594 [0,1,0,0,0,0|3,0,0]=4 3070 B12R0.184 CCC(O)CSCCCSC(=O)C 62a_100000038929_100011218378 [0,1,0,0,0,0|3,0,0]=4 3071 B12R0.184 CCC(O)CSCCCSC(=O)C 62a_100011218378_100000038929 [0,1,0,0,0,0|3,0,0]=4 3072 B12R0.184 CCC(O)CSCCOCC(=O)N 62a_100000076697_100011218378 [0,1,0,0,0,0|3,0,0]=4 3073 B12R0.184 CCC(O)CSCCOCC(=O)N 62a_100011218378_100000076697 [0,1,0,0,0,0|3,0,0]=4 3074 B12R0.184 CCN(C)CCCCCCB(O)O 2230a_100000225621_100009817187 [0,1,0,0,0,0|2,0,1]=4 3075 B12R0.184 CCN(C)CCCCCCB(O)O 269982a_100000225621_100009817187 [0,1,0,0,0,0|2,0,1]=4 3076 B12R0.184 CCN(C)CCCCCOC(=O)C 2230a_100000225621_100009813381 [0,1,0,0,0,0|3,0,0]=4 3077 B12R0.184 CCN(C)CCCCCOC(=O)C 269982a_100000225621_100000033007 [0,1,0,0,0,0|3,0,0]=4 3078 B12R0.184 CCN(C)CCCNOCC(=O)O 269956a_100000106656_100015186262 [0,1,0,0,0,0|3,0,0]=4 3079 B12R0.184 CCN(C)CCCOCCC(=O)C 7a_100000759926_100015186262 [0,1,0,0,0,0|3,0,0]=4 3080 B12R0.184 CCN(C)CCCOCCC(=O)N 7a_100000757172_100015186262 [0,1,0,0,0,0|3,0,0]=4 3081 B12R0.184 CCN(C)CCCSCCC(=O)C 62a_100000053229_100015186262 [0,1,0,0,0,0|3,0,0]=4 3082 B12R0.184 CCN(C)CCCSCCC(=O)N 62a_100000744528_100015186262 [0,1,0,0,0,0|3,0,0]=4 3083 B12R0.184 CC[C@H](C)CNCCCCC(=O)N 34a_100000696515_100009816398 [0,1,0,0,0,0|2,0,0]=3 3084 B12R0.184 CC[C@H](C)CNCCCNC(=O)C 34a_100000736810_100009816398 [0,1,0,0,0,0|3,0,0]=4 3085 B12R0.184 CC[C@H](C)CNCCOCC(=O)O 269956a_100000700818_100009816398 [0,1,0,0,0,0|2,0,0]=3 3086 B12R0.184 CC[C@H](C)COCCCCB(O)O 7a_100009816381_200009817182 [0,1,0,0,0,0|2,0,1]=4 3087 B12R0.184 CC[C@H](C)COCCCCC(=O)C 7a_100009816381_100000735457 [0,1,0,0,0,0|2,0,0]=3 3088 B12R0.184 CC[C@H](C)COCCCCC(=O)N 34a_100012022536_100009816398 [0,1,0,0,0,0|2,0,0]=3 3089 B12R0.184 CC[C@H](C)COCCCCC(=O)N 7a_100012022536_100009816398 [0,1,0,0,0,0|2,0,0]=3 3090 B12R0.184 CC[C@H](C)COCCCC[N+](=O)[O-] 34a_200015379883_100009816398 [0,1,0,0,0,0|2,0,1]=4 3091 B12R0.184 CC[C@H](C)COCCCC[N+](=O)[O-] 7a_200015379883_100009816398 [0,1,0,0,0,0|2,0,1]=4 3092 B12R0.184 CC[C@H](C)COCCCNC(=O)C 34a_100000752032_100009816398 [0,1,0,0,0,0|3,0,0]=4 3093 B12R0.184 CC[C@H](C)COCCCOC(=O)C 7a_100009816381_100000042594 [0,1,0,0,0,0|3,0,0]=4 3094 B12R0.184 CC[C@H](C)COCCCSC(=O)C 7a_100009816381_100000038929 [0,1,0,0,0,0|3,0,0]=4 3095 B12R0.184 CC[C@H](C)COCCOCC(=O)N 7a_100009816381_100000076697 [0,1,0,0,0,0|3,0,0]=4 3096 B12R0.184 CC[C@H](C)CSCCCCB(O)O 62a_100009816398_200009817182 [0,1,0,0,0,0|2,0,1]=4 3097 B12R0.184 CC[C@H](C)CSCCCCB(O)O 62a_200009817182_100009816398 [0,1,0,0,0,0|2,0,1]=4 3098 B12R0.184 CC[C@H](C)CSCCCCC(=O)C 62a_100000735457_100009816398 [0,1,0,0,0,0|2,0,0]=3 3099 B12R0.184 CC[C@H](C)CSCCCCC(=O)C 62a_100009816398_100000735457 [0,1,0,0,0,0|2,0,0]=3 3100 B12R0.184 CC[C@H](C)CSCCCOC(=O)C 62a_100000042594_100009816398 [0,1,0,0,0,0|3,0,0]=4 3101 B12R0.184 CC[C@H](C)CSCCCOC(=O)C 62a_100009816398_100000042594 [0,1,0,0,0,0|3,0,0]=4 3102 B12R0.184 CC[C@H](C)CSCCCSC(=O)C 62a_100000038929_100009816398 [0,1,0,0,0,0|3,0,0]=4 3103 B12R0.184 CC[C@H](C)CSCCCSC(=O)C 62a_100009816398_100000038929 [0,1,0,0,0,0|3,0,0]=4 3104 B12R0.184 CC[C@H](C)CSCCOCC(=O)N 62a_100000076697_100009816398 [0,1,0,0,0,0|3,0,0]=4 3105 B12R0.184 CC[C@H](C)CSCCOCC(=O)N 62a_100009816398_100000076697 [0,1,0,0,0,0|3,0,0]=4 3106 B12R0.184 COC(=O)CCCCCCC(=O)C 1458a_100000036694_200000210301 [0,1,0,0,0,0|2,0,1]=4 3107 B12R0.184 COC(=O)CCCCCCC(=O)C 1458a_100000070787_100009815986 [0,1,0,0,0,0|2,0,1]=4 3108 B12R0.184 COC(=O)CCCCCCC(=O)[13CH3] 1458a_100000036694_200025704644 [0,1,0,0,0,0|2,0,1]=4 3109 B12R0.184 COC(=O)CCCCNCC(=O)O 269956a_100016091260_100000204269 [0,1,0,0,0,0|2,0,1]=4 3110 B12R0.184 COC(C)CCOCCCC(=O)C 7a_100000764861_100011215641 [0,1,0,0,0,0|3,0,0]=4 3111 B12R0.184 COC(C)CCOCCCC(=O)N 7a_100000764861_100102525003 [0,1,0,0,0,0|3,0,0]=4 3112 B12R0.184 COC(C)COCCCCC(=O)C 34a_100000690652_100009817362 [0,1,0,0,0,0|3,0,0]=4 3113 B12R0.184 COC(C)SCCCCCC(=O)N 62a_100009817443_100009879195 [0,1,0,0,0,0|3,0,0]=4 3114 B12R0.184 COC(C)SCCCCCC(=O)N 62a_100009879195_100009817443 [0,1,0,0,0,0|3,0,0]=4 3115 B12R0.184 C[C@@H](CN)CCCOCCC(=O)N 34a_100160569302_100000731001 [0,1,0,0,0,0|3,0,0]=4 3116 B12R0.184 C[C@@H](CO)CNCCCCC(=O)N 34a_100000696515_100000059175 [0,1,0,0,0,0|3,0,0]=4 3117 B12R0.184 C[C@@H](CO)CNCCOCC(=O)O 269956a_100000700818_100000059175 [0,1,0,0,0,0|3,0,0]=4 3118 B12R0.184 C[C@@H](CO)COCCCCC(=O)N 34a_100012022536_100000059175 [0,1,0,0,0,0|3,0,0]=4 3119 B12R0.184 C[C@@H](CO)COCCCCC(=O)N 7a_100012022536_100000059175 [0,1,0,0,0,0|3,0,0]=4 3120 B12R0.184 C[C@H](CO)NCCCCCC(=O)N 2230a_100000737577_100009817443 [0,1,0,0,0,0|3,0,0]=4 3121 B12R0.184 C[C@H](CO)SCCCCCC(=O)N 62a_100009817443_100016084084 [0,1,0,0,0,0|3,0,0]=4 3122 B12R0.184 C[C@H](CO)SCCCCCC(=O)N 62a_100016084084_100009817443 [0,1,0,0,0,0|3,0,0]=4 3123 B12R0.184 NC(=O)CCCCNCC(O)CO 34a_100000696515_100011219619 [0,1,0,0,0,0|3,0,0]=4 3124 B12R0.184 NC(=O)CCCCNC[C@@H](O)CF 34a_100000696515_100015614560 [0,1,0,0,0,0|3,0,0]=4 3125 B12R0.184 NC(=O)CCCCNC[C@@H](O)CO 34a_100000696515_100009815848 [0,1,0,0,0,0|3,0,0]=4 3126 B12R0.184 NC(=O)CCCCOCC(O)CO 34a_100012022536_100011219619 [0,1,0,0,0,0|3,0,0]=4 3127 B12R0.184 NC(=O)CCCCOCC(O)CO 7a_100012022536_100011219619 [0,1,0,0,0,0|3,0,0]=4 3128 B12R0.184 NC(=O)CCCCOC[C@@H](O)CF 34a_100012022536_100015614560 [0,1,0,0,0,0|3,0,0]=4 3129 B12R0.184 NC(=O)CCCCOC[C@@H](O)CF 7a_100012022536_100015614560 [0,1,0,0,0,0|3,0,0]=4 3130 B12R0.184 NC(=O)CCCCOC[C@@H](O)CO 34a_100012022536_100009815848 [0,1,0,0,0,0|3,0,0]=4 3131 B12R0.184 NC(=O)CCCCOC[C@@H](O)CO 7a_100012022536_100009815848 [0,1,0,0,0,0|3,0,0]=4 3132 B12R0.184 O=C(O)COCCNCC(O)CO 269956a_100000700818_100011219619 [0,1,0,0,0,0|3,0,0]=4 3133 B12R0.184 O=C(O)COCCNC[C@@H](O)CF 269956a_100000700818_100015614560 [0,1,0,0,0,0|3,0,0]=4 3134 B12R0.184 O=C(O)COCCNC[C@@H](O)CO 269956a_100000700818_100009815848 [0,1,0,0,0,0|3,0,0]=4 3135 B12R0.233 C#CCCCN(C)CCCC(=O)O 269956a_100000719178_100011215417 [0,1,0,0,0,0|1,0,2]=4 3136 B12R0.233 C=C(Br)CCOC(C)CCCCC 34a_100009813270_200011218191 [0,1,0,0,0,0|3,0,0]=4 3137 B12R0.233 C=C(C)CCNC(C)CCCCC 2230a_100000211957_100000730704 [0,1,0,0,0,0|3,0,0]=4 3138 B12R0.233 C=C(C)CCOC(C)CCCCC 34a_100000764851_200011218191 [0,1,0,0,0,0|3,0,0]=4 3139 B12R0.233 C=C(C)CCOC(C)CCCCC 34a_100011215632_100000730704 [0,1,0,0,0,0|3,0,0]=4 3140 B12R0.233 C=C(C)CCOC(C)CCCCC 7a_100011215632_100000730704 [0,1,0,0,0,0|3,0,0]=4 3141 B12R0.233 C=C(C)CCSC(C)CCCCC 62a_100000730704_200011218191 [0,1,0,0,0,0|3,0,0]=4 3142 B12R0.233 C=C(C)CCSC(C)CCCCC 62a_200011218191_100000730704 [0,1,0,0,0,0|3,0,0]=4 3143 B12R0.233 C=CCCCN(C)CCCC(=O)O 269956a_100000719178_100011713584 [0,1,0,0,0,0|1,0,2]=4 3144 B12R0.233 CC(=O)CCCC(=O)CCCCO 1458a_100000695505_100011215641 [0,1,0,0,0,0|2,0,1]=4 3145 B12R0.233 CC(=O)CCCN(C)CCCCO 269982a_100000717598_100011215641 [0,1,0,0,0,0|3,0,0]=4 3146 B12R0.233 CC(CCCC(=O)[O-])OCCCF 7a_100000761597_100011934791 [0,1,0,0,0,0|2,0,1]=4 3147 B12R0.233 CC(CCCC(=O)[O-])OCCCO 7a_100000761597_100011215043 [0,1,0,0,0,0|2,0,1]=4 3148 B12R0.233 CC/C=C\CN(C)CCCC(=O)O 269956a_100000719178_100103147603 [0,1,0,0,0,0|1,0,2]=4 3149 B12R0.233 CCC#CCN(C)CCCC(=O)O 269956a_100000719178_100009813939 [0,1,0,0,0,0|1,0,2]=4 3150 B12R0.233 CCCCCC(=O)CCCC(=O)C 1458a_100000212188_100011215641 [0,1,0,0,0,0|1,0,1]=3 3151 B12R0.233 CCCCCC(=O)CCCC(=O)N 1458a_100000212188_100102525003 [0,1,0,0,0,0|1,0,1]=3 3152 B12R0.233 CCCCCC(=O)CCCC(C)O 1458a_100000212188_200000718107 [0,1,0,0,0,0|1,0,2]=4 3153 B12R0.233 CCCCCC(=O)CCC[N+](=O)[O-] 1458a_100016109205_100000210326 [0,1,0,0,0,0|1,0,2]=4 3154 B12R0.233 CCCCCC(=O)CCNC(=O)C 1458a_100000183196_100000210326 [0,1,0,0,0,0|2,0,1]=4 3155 B12R0.233 CCCCCC(=O)CCNC(=O)C 1458a_100000212188_100000189650 [0,1,0,0,0,0|2,0,1]=4 3156 B12R0.233 CCCCCC(=O)CCNC(=O)N 1458a_100000181464_100000210326 [0,1,0,0,0,0|2,0,1]=4 3157 B12R0.233 CCCCCC(=O)CCNC(=O)N 1458a_100000212188_200000034859 [0,1,0,0,0,0|2,0,1]=4 3158 B12R0.233 CCCCCC(=O)CCOC(=O)C 1458a_100000212188_100009814007 [0,1,0,0,0,0|2,0,1]=4 3159 B12R0.233 CCCCCC(=O)CCOC(=O)N 1458a_100000212188_200011214921 [0,1,0,0,0,0|2,0,1]=4 3160 B12R0.233 CCCCCC(=O)CCSC(=O)C 1458a_100000048949_100000210326 [0,1,0,0,0,0|2,0,1]=4 3161 B12R0.233 CCCCCC(=O)CNCC(=O)N 2230a_100000711301_200012276598 [0,1,0,0,0,0|2,0,1]=4 3162 B12R0.233 CCCCCC(=O)CNCC(=O)O 269956a_100016091260_200012276598 [0,1,0,0,0,0|1,0,1]=3 3163 B12R0.233 CCCCCC(=O)COCC(=O)C 34a_100000211253_200012276598 [0,1,0,0,0,0|2,0,1]=4 3164 B12R0.233 CCCCCC(=O)COCC(=O)N 1458a_100011219004_100000210326 [0,1,0,0,0,0|2,0,1]=4 3165 B12R0.233 CCCCCC(=O)CSCC(=O)N 62a_100000747473_200012276598 [0,1,0,0,0,0|2,0,1]=4 3166 B12R0.233 CCCCCC(=O)CSCC(=O)N 62a_200012276598_100000747473 [0,1,0,0,0,0|2,0,1]=4 3167 B12R0.233 CCCCCC(=O)CSCC(=O)[O-] 62a_100020667443_200012276598 [0,1,0,0,0,0|1,0,2]=4 3168 B12R0.233 CCCCCC(=O)CSCC(=O)[O-] 62a_200012276598_100020667443 [0,1,0,0,0,0|1,0,2]=4 3169 B12R0.233 CCCCCC(=O)NCCC(=O)N 11a_100000740010_100000212188 [0,1,0,0,0,0|2,0,1]=4 3170 B12R0.233 CCCCCC(=O)NCCC(=O)N 240690a_100000740010_100000212188 [0,1,0,0,0,0|2,0,1]=4 3171 B12R0.233 CCCCCC(=O)NCCC(=O)N 527a_100000740010_100000212188 [0,1,0,0,0,0|2,0,1]=4 3172 B12R0.233 CCCCCC(C)NCCC(=O)N 2230a_100000211957_100000744528 [0,1,0,0,0,0|2,0,0]=3 3173 B12R0.233 CCCCCC(C)NCCC(C)O 2230a_100000211957_100012276601 [0,1,0,0,0,0|2,0,1]=4 3174 B12R0.233 CCCCCC(C)NCCC(C)O 2230a_200000755665_200011218191 [0,1,0,0,0,0|2,0,1]=4 3175 B12R0.233 CCCCCC(C)NCCC(C)O 270004a_200000755665_100000211708 [0,1,0,0,0,0|2,0,1]=4 3176 B12R0.233 CCCCCC(C)NOCC(=O)O 269956a_100000106656_200011218191 [0,1,0,0,0,0|2,0,0]=3 3177 B12R0.233 CCCCCC(C)OCCC(=O)C 34a_100000759926_200011218191 [0,1,0,0,0,0|2,0,0]=3 3178 B12R0.233 CCCCCC(C)OCCC(=O)C 7a_100000759926_200011218191 [0,1,0,0,0,0|2,0,0]=3 3179 B12R0.233 CCCCCC(C)OCCC(=O)C 7a_100011215632_100000053229 [0,1,0,0,0,0|2,0,0]=3 3180 B12R0.233 CCCCCC(C)OCCC(=O)N 34a_100000757172_200011218191 [0,1,0,0,0,0|2,0,0]=3 3181 B12R0.233 CCCCCC(C)OCCC(=O)N 34a_100011215632_100000731001 [0,1,0,0,0,0|2,0,0]=3 3182 B12R0.233 CCCCCC(C)OCCC(=O)N 7a_100000757172_200011218191 [0,1,0,0,0,0|2,0,0]=3 3183 B12R0.233 CCCCCC(C)OCCC(=O)N 7a_100011215632_100000744528 [0,1,0,0,0,0|2,0,0]=3 3184 B12R0.233 CCCCCC(C)OCCC(C)O 34a_100011215632_100012276601 [0,1,0,0,0,0|2,0,1]=4 3185 B12R0.233 CCCCCC(C)OCCC(C)O 7a_100011215632_100012276601 [0,1,0,0,0,0|2,0,1]=4 3186 B12R0.233 CCCCCC(C)OCOC(=O)C 34a_100011215632_100009813279 [0,1,0,0,0,0|3,0,0]=4 3187 B12R0.233 CCCCCC(C)SCCC(=O)C 62a_100000053229_200011218191 [0,1,0,0,0,0|2,0,0]=3 3188 B12R0.233 CCCCCC(C)SCCC(=O)C 62a_200011218191_100000053229 [0,1,0,0,0,0|2,0,0]=3 3189 B12R0.233 CCCCCC(C)SCCC(=O)N 62a_100000744528_200011218191 [0,1,0,0,0,0|2,0,0]=3 3190 B12R0.233 CCCCCC(C)SCCC(=O)N 62a_200011218191_100000744528 [0,1,0,0,0,0|2,0,0]=3 3191 B12R0.233 CCCCCC(C)SCCC(C)O 62a_100012276601_200011218191 [0,1,0,0,0,0|2,0,1]=4 3192 B12R0.233 CCCCCC(C)SCCC(C)O 62a_200011218191_100012276601 [0,1,0,0,0,0|2,0,1]=4 3193 B12R0.233 CCCCCC(C)SCOC(=O)C 62a_100000076356_200011218191 [0,1,0,0,0,0|3,0,0]=4 3194 B12R0.233 CCCCCC(C)SCOC(=O)C 62a_200011218191_100000076356 [0,1,0,0,0,0|3,0,0]=4 3195 B12R0.233 CCCCCN(C)CCCC(=O)C 269982a_100000223495_100011215641 [0,1,0,0,0,0|2,0,0]=3 3196 B12R0.233 CCCCCN(C)CCCC(=O)N 269982a_100000223495_100102525003 [0,1,0,0,0,0|2,0,0]=3 3197 B12R0.233 CCCCCN(C)CCCC(=O)O 269956a_100000719178_100000210326 [0,1,0,0,0,0|1,0,0]=2 3198 B12R0.233 CCCCCN(C)CCCC(C)O 2230a_100000223495_200000718107 [0,1,0,0,0,0|2,0,1]=4 3199 B12R0.233 CCCCCN(C)CCCC(C)O 269982a_100000223495_200000718107 [0,1,0,0,0,0|2,0,1]=4 3200 B12R0.233 CCCCCN(C)CCNC(=O)C 2230a_100000223495_100000189650 [0,1,0,0,0,0|3,0,0]=4 3201 B12R0.233 CCCCCN(C)CCNC(=O)C 269982a_100000223495_100000189650 [0,1,0,0,0,0|3,0,0]=4 3202 B12R0.233 CCCCCN(C)CCNC(=O)N 2230a_100000223495_200000034859 [0,1,0,0,0,0|3,0,0]=4 3203 B12R0.233 CCCCCN(C)CCNC(=O)N 269982a_100000223495_200000034859 [0,1,0,0,0,0|3,0,0]=4 3204 B12R0.233 CCCCCN(C)CCOC(=O)C 269982a_100000223495_100009814007 [0,1,0,0,0,0|3,0,0]=4 3205 B12R0.233 CCCCCN(C)CCOC(=O)N 269982a_100000223495_200011214921 [0,1,0,0,0,0|3,0,0]=4 3206 B12R0.233 CCCCNC(=O)CNCC(=O)O 269956a_100016091260_100000182744 [0,1,0,0,0,0|2,0,1]=4 3207 B12R0.233 CCCCOC(=O)CNCC(=O)O 269956a_100016091260_100000211628 [0,1,0,0,0,0|2,0,1]=4 3208 B12R0.233 CCCCOC(C)CCCC(=O)[O-] 7a_100000761597_100000210211 [0,1,0,0,0,0|1,0,1]=3 3209 B12R0.233 CCCOCC(=O)CCCC(=O)C 1458a_100000745993_100011215641 [0,1,0,0,0,0|2,0,1]=4 3210 B12R0.233 CCCOCC(=O)CCCC(=O)N 1458a_100000745993_100102525003 [0,1,0,0,0,0|2,0,1]=4 3211 B12R0.233 CCCSCC(=O)CCCC(=O)C 1458a_100000217233_100011215641 [0,1,0,0,0,0|2,0,1]=4 3212 B12R0.233 CCCSCC(=O)CCCC(=O)N 1458a_100000217233_100102525003 [0,1,0,0,0,0|2,0,1]=4 3213 B12R0.233 CCOCCC(=O)CCCC(=O)C 1458a_100000749530_100011215641 [0,1,0,0,0,0|2,0,1]=4 3214 B12R0.233 CCOCCC(=O)CCCC(=O)N 1458a_100000749530_100102525003 [0,1,0,0,0,0|2,0,1]=4 3215 B12R0.233 CCOCCN(C)CCCC(=O)O 269956a_100000719178_100000210147 [0,1,0,0,0,0|2,0,0]=3 3216 B12R0.233 CCSCCC(=O)CCCC(=O)C 1458a_100000230768_100011215641 [0,1,0,0,0,0|2,0,1]=4 3217 B12R0.233 CCSCCC(=O)CCCC(=O)N 1458a_100000230768_100102525003 [0,1,0,0,0,0|2,0,1]=4 3218 B12R0.233 CCSCCN(C)CCCC(=O)O 269956a_100000719178_100000757381 [0,1,0,0,0,0|2,0,0]=3 3219 B12R0.233 CN(CCCC#N)CCCC(=O)O 269956a_100000719178_100000687738 [0,1,0,0,0,0|2,0,1]=4 3220 B12R0.233 CN(CCCC=O)CCCC(=O)O 269956a_100000719178_200011292268 [0,1,0,0,0,0|2,0,1]=4 3221 B12R0.233 CN(CCCCF)CCCC(=O)O 269956a_100000719178_100000729493 [0,1,0,0,0,0|2,0,0]=3 3222 B12R0.233 CN(CCCCO)CCCC(=O)N 269982a_100000717598_100102525003 [0,1,0,0,0,0|3,0,0]=4 3223 B12R0.233 CN(CCCCO)CCCC(=O)O 269956a_100000719178_100000210776 [0,1,0,0,0,0|2,0,0]=3 3224 B12R0.233 COCCCC(=O)CCCC(=O)C 1458a_100000741012_100011215641 [0,1,0,0,0,0|2,0,1]=4 3225 B12R0.233 COCCCC(=O)CCCC(=O)N 1458a_100000741012_100102525003 [0,1,0,0,0,0|2,0,1]=4 3226 B12R0.233 COCCCC(C)OCCC(=O)C 7a_200011539412_100000053229 [0,1,0,0,0,0|3,0,0]=4 3227 B12R0.233 COCCCC(C)OCCC(=O)N 34a_200011539412_100000731001 [0,1,0,0,0,0|3,0,0]=4 3228 B12R0.233 COCCCC(C)OCCC(=O)N 7a_200011539412_100000744528 [0,1,0,0,0,0|3,0,0]=4 3229 B12R0.233 COCCCN(C)CCCC(=O)C 269982a_100000224831_100011215641 [0,1,0,0,0,0|3,0,0]=4 3230 B12R0.233 COCCCN(C)CCCC(=O)N 269982a_100000224831_100102525003 [0,1,0,0,0,0|3,0,0]=4 3231 B12R0.233 COCCCN(C)CCCC(=O)O 269956a_100000719178_100000740836 [0,1,0,0,0,0|2,0,0]=3 3232 B12R0.233 COCCOC(C)CCCC(=O)[O-] 7a_100000761597_100000233755 [0,1,0,0,0,0|2,0,1]=4 3233 B12R0.233 CSCCCC(=O)CCCC(=O)C 1458a_100000173376_100011215641 [0,1,0,0,0,0|2,0,1]=4 3234 B12R0.233 CSCCCC(=O)CCCC(=O)N 1458a_100000173376_100102525003 [0,1,0,0,0,0|2,0,1]=4 3235 B12R0.233 CSCCOC(C)CCCC(=O)[O-] 7a_100000761597_100000212216 [0,1,0,0,0,0|2,0,1]=4 3236 B12R0.233 NC(=O)CCCC(=O)CCCCO 1458a_100000695505_100102525003 [0,1,0,0,0,0|2,0,1]=4 3237 B12R0.233 NCCCC[C@H](N)COCC(=O)N 34a_100016993712_100000187820 [0,1,0,0,0,0|3,0,0]=4 3238 B12R0.233 NCCCC[C@H](N)COCC(=O)[O-] 34a_100016993712_100020667443 [0,1,0,0,0,0|2,0,1]=4 3239 B12R0.234 C#CCCCCCCCCC(=O)C 1458a_100000029693_200000210301 [0,1,0,0,0,0|1,0,1]=3 3240 B12R0.234 C#CCCCCCCCCC(=O)[13CH3] 1458a_100000029693_200025704644 [0,1,0,0,0,0|1,0,1]=3 3241 B12R0.234 C#CCCCCCCNCC(=O)N 2230a_100000711301_100012276617 [0,1,0,0,0,0|1,0,2]=4 3242 B12R0.234 C#CCCCCCCNCC(=O)O 269956a_100016091260_100012276617 [0,1,0,0,0,0|0,0,2]=3 3243 B12R0.234 C#CCCCCCCOCC(=O)C 34a_100000211253_100012276617 [0,1,0,0,0,0|1,0,2]=4 3244 B12R0.234 C#CCCCCCCOCC(=O)N 34a_100011217361_100000187820 [0,1,0,0,0,0|1,0,2]=4 3245 B12R0.234 C#CCCCCCCOCC(=O)N 7a_100011217361_100000187820 [0,1,0,0,0,0|1,0,2]=4 3246 B12R0.234 C#CCCCCCCOCC(=O)[O-] 34a_100011217361_100020667443 [0,1,0,0,0,0|0,0,3]=4 3247 B12R0.234 C#CCCCCCCSCC(=O)N 62a_100000747473_100012276617 [0,1,0,0,0,0|1,0,2]=4 3248 B12R0.234 C#CCCCCCCSCC(=O)N 62a_100012276617_100000747473 [0,1,0,0,0,0|1,0,2]=4 3249 B12R0.234 C#CCCCCCCSCC(=O)[O-] 62a_100012276617_100020667443 [0,1,0,0,0,0|0,0,3]=4 3250 B12R0.234 C#CCCCCCCSCC(=O)[O-] 62a_100020667443_100012276617 [0,1,0,0,0,0|0,0,3]=4 3251 B12R0.234 C#CCCCCCNOCC(=O)O 269956a_100000106656_100012094781 [0,1,0,0,0,0|1,0,2]=4 3252 B12R0.234 C#CCCCCCOCCC(=O)C 34a_100000759926_100012094781 [0,1,0,0,0,0|1,0,2]=4 3253 B12R0.234 C#CCCCCCOCCC(=O)C 7a_100000759926_100012094781 [0,1,0,0,0,0|1,0,2]=4 3254 B12R0.234 C#CCCCCCOCCC(=O)C 7a_100000766912_100000053229 [0,1,0,0,0,0|1,0,2]=4 3255 B12R0.234 C#CCCCCCOCCC(=O)N 34a_100000757172_100012094781 [0,1,0,0,0,0|1,0,2]=4 3256 B12R0.234 C#CCCCCCOCCC(=O)N 34a_100000766912_100000731001 [0,1,0,0,0,0|1,0,2]=4 3257 B12R0.234 C#CCCCCCOCCC(=O)N 7a_100000757172_100012094781 [0,1,0,0,0,0|1,0,2]=4 3258 B12R0.234 C#CCCCCCOCCC(=O)N 7a_100000766912_100000744528 [0,1,0,0,0,0|1,0,2]=4 3259 B12R0.234 C#CCCCCCSCCC(=O)C 62a_100000053229_100012094781 [0,1,0,0,0,0|1,0,2]=4 3260 B12R0.234 C#CCCCCCSCCC(=O)C 62a_100012094781_100000053229 [0,1,0,0,0,0|1,0,2]=4 3261 B12R0.234 C#CCCCCCSCCC(=O)N 62a_100000744528_100012094781 [0,1,0,0,0,0|1,0,2]=4 3262 B12R0.234 C#CCCCCCSCCC(=O)N 62a_100012094781_100000744528 [0,1,0,0,0,0|1,0,2]=4 3263 B12R0.234 C#CCCCCNCCCC(=O)C 34a_100000706060_100000685027 [0,1,0,0,0,0|1,0,2]=4 3264 B12R0.234 C#CCCCCNCCCC(=O)N 34a_100000706060_100102525003 [0,1,0,0,0,0|1,0,2]=4 3265 B12R0.234 C#CCCCCNCCCC(=O)N 34a_100000739312_100010269958 [0,1,0,0,0,0|1,0,2]=4 3266 B12R0.234 C#CCCCCOCCCC(=O)C 34a_100000759063_100010269958 [0,1,0,0,0,0|1,0,2]=4 3267 B12R0.234 C#CCCCCOCCCC(=O)C 34a_100000766709_100000685027 [0,1,0,0,0,0|1,0,2]=4 3268 B12R0.234 C#CCCCCOCCCC(=O)C 7a_100000759063_100010269958 [0,1,0,0,0,0|1,0,2]=4 3269 B12R0.234 C#CCCCCOCCCC(=O)C 7a_100000766709_100011215641 [0,1,0,0,0,0|1,0,2]=4 3270 B12R0.234 C#CCCCCOCCCC(=O)N 34a_100000766709_100102525003 [0,1,0,0,0,0|1,0,2]=4 3271 B12R0.234 C#CCCCCOCCCC(=O)N 7a_100000766709_100102525003 [0,1,0,0,0,0|1,0,2]=4 3272 B12R0.234 C#CCCCCSCCCC(=O)C 62a_100010269958_100011215641 [0,1,0,0,0,0|1,0,2]=4 3273 B12R0.234 C#CCCCCSCCCC(=O)C 62a_100011215641_100010269958 [0,1,0,0,0,0|1,0,2]=4 3274 B12R0.234 C#CCCCCSCCCC(=O)N 62a_100010269958_100102525003 [0,1,0,0,0,0|1,0,2]=4 3275 B12R0.234 C#CCCCCSCCCC(=O)N 62a_100102525003_100010269958 [0,1,0,0,0,0|1,0,2]=4 3276 B12R0.234 C#CCCCNCCCCC(=O)C 34a_100000718082_100009817362 [0,1,0,0,0,0|1,0,2]=4 3277 B12R0.234 C#CCCCNCCCCC(=O)N 34a_100000696515_100000695029 [0,1,0,0,0,0|1,0,2]=4 3278 B12R0.234 C#CCCCNCCOCC(=O)O 269956a_100000700818_100011215417 [0,1,0,0,0,0|1,0,2]=4 3279 B12R0.234 C#CCCCOCCCCC(=O)C 34a_100000215630_100009817362 [0,1,0,0,0,0|1,0,2]=4 3280 B12R0.234 C#CCCCOCCCCC(=O)C 7a_100000215630_100000735457 [0,1,0,0,0,0|1,0,2]=4 3281 B12R0.234 C#CCCCOCCCCC(=O)N 34a_100012022536_100000695029 [0,1,0,0,0,0|1,0,2]=4 3282 B12R0.234 C#CCCCOCCCCC(=O)N 7a_100012022536_100011215417 [0,1,0,0,0,0|1,0,2]=4 3283 B12R0.234 C#CCCCSCCCCC(=O)C 62a_100000735457_100011215417 [0,1,0,0,0,0|1,0,2]=4 3284 B12R0.234 C#CCCCSCCCCC(=O)C 62a_100011215417_100000735457 [0,1,0,0,0,0|1,0,2]=4 3285 B12R0.234 C#CCCNCCCCCC(=O)N 34a_100000755551_100009817443 [0,1,0,0,0,0|1,0,2]=4 3286 B12R0.234 C#CCCOCCCCCC(=O)N 34a_100000123541_100000688953 [0,1,0,0,0,0|1,0,2]=4 3287 B12R0.234 C#CCCOCCCCCC(=O)N 34a_100011215631_100009817443 [0,1,0,0,0,0|1,0,2]=4 3288 B12R0.234 C#CCCOCCCCCC(=O)N 7a_100000123541_100000688953 [0,1,0,0,0,0|1,0,2]=4 3289 B12R0.234 C#CCCOCCCCCC(=O)[O-] 7a_100102619762_100000688953 [0,1,0,0,0,0|0,0,3]=4 3290 B12R0.234 C#CCCSCCCCCC(=O)N 62a_100000688953_100009817443 [0,1,0,0,0,0|1,0,2]=4 3291 B12R0.234 C#CCCSCCCCCC(=O)N 62a_100009817443_100000688953 [0,1,0,0,0,0|1,0,2]=4 3292 B12R0.234 C/C=C/CCOCCCCC(=O)C 34a_100016278192_100009817362 [0,1,0,0,0,0|1,0,2]=4 3293 B12R0.234 C/C=C/COCCCCCC(=O)N 34a_100000123541_100102629194 [0,1,0,0,0,0|1,0,2]=4 3294 B12R0.234 C/C=C/COCCCCCC(=O)N 34a_100016270725_100009817443 [0,1,0,0,0,0|1,0,2]=4 3295 B12R0.234 C/C=C/COCCCCCC(=O)N 7a_100000123541_100102629194 [0,1,0,0,0,0|1,0,2]=4 3296 B12R0.234 C/C=C/COCCCCCC(=O)[O-] 7a_100102619762_100102629194 [0,1,0,0,0,0|0,0,3]=4 3297 B12R0.234 C/C=C/CSCCCCCC(=O)N 62a_100009817443_100102629194 [0,1,0,0,0,0|1,0,2]=4 3298 B12R0.234 C/C=C/CSCCCCCC(=O)N 62a_100102629194_100009817443 [0,1,0,0,0,0|1,0,2]=4 3299 B12R0.234 C=C(Br)CCOCCCCCCC 34a_100009813270_100000210614 [0,1,0,0,0,0|2,0,0]=3 3300 B12R0.234 C=C(Br)CCOCCCCCCF 34a_100009813270_100015922095 [0,1,0,0,0,0|3,0,0]=4 3301 B12R0.234 C=C(Br)CCOCCCCCCO 34a_100009813270_100000766143 [0,1,0,0,0,0|3,0,0]=4 3302 B12R0.234 C=C(Br)CCOCCOCCCC 34a_100009813270_100000743108 [0,1,0,0,0,0|3,0,0]=4 3303 B12R0.234 C=C(C)CCNCCCCCCC 2230a_100000229938_100000730704 [0,1,0,0,0,0|2,0,0]=3 3304 B12R0.234 C=C(C)CCNCCCCCCO 2230a_100000686447_100000730704 [0,1,0,0,0,0|3,0,0]=4 3305 B12R0.234 C=C(C)CCNCCCCCCO 34a_100000686447_100000730704 [0,1,0,0,0,0|3,0,0]=4 3306 B12R0.234 C=C(C)CCNCCCCCOC 2230a_100000747528_100000730704 [0,1,0,0,0,0|3,0,0]=4 3307 B12R0.234 C=C(C)CCNCCCCCOC 34a_100000747528_100000730704 [0,1,0,0,0,0|3,0,0]=4 3308 B12R0.234 C=C(C)CCNCCCOCCC 2230a_100011217757_100000730704 [0,1,0,0,0,0|3,0,0]=4 3309 B12R0.234 C=C(C)CCNCCCOCCC 34a_100011217757_100000730704 [0,1,0,0,0,0|3,0,0]=4 3310 B12R0.234 C=C(C)CCNCCSCCCC 2230a_100025743550_100000730704 [0,1,0,0,0,0|3,0,0]=4 3311 B12R0.234 C=C(C)CCOCCCCCCBr 34a_100011215345_100000730704 [0,1,0,0,0,0|3,0,0]=4 3312 B12R0.234 C=C(C)CCOCCCCCCBr 7a_100011215345_100000730704 [0,1,0,0,0,0|3,0,0]=4 3313 B12R0.234 C=C(C)CCOCCCCCCC 34a_100000210272_100000730704 [0,1,0,0,0,0|2,0,0]=3 3314 B12R0.234 C=C(C)CCOCCCCCCC 34a_100000764851_100000210614 [0,1,0,0,0,0|2,0,0]=3 3315 B12R0.234 C=C(C)CCOCCCCCCC 7a_100000210272_100000730704 [0,1,0,0,0,0|2,0,0]=3 3316 B12R0.234 C=C(C)CCOCCCCCCCl 34a_100000766143_100000730704 [0,1,0,0,0,0|3,0,0]=4 3317 B12R0.234 C=C(C)CCOCCCCCCCl 7a_100000766143_100000730704 [0,1,0,0,0,0|3,0,0]=4 3318 B12R0.234 C=C(C)CCOCCCCCCF 34a_100000732779_100000730704 [0,1,0,0,0,0|3,0,0]=4 3319 B12R0.234 C=C(C)CCOCCCCCCF 34a_100000764851_100015922095 [0,1,0,0,0,0|3,0,0]=4 3320 B12R0.234 C=C(C)CCOCCCCCCF 7a_100000732779_100000730704 [0,1,0,0,0,0|3,0,0]=4 3321 B12R0.234 C=C(C)CCOCCCCCCN 34a_100000686447_100000730704 [0,1,0,0,0,0|3,0,0]=4 3322 B12R0.234 C=C(C)CCOCCCCCCO 34a_100000764851_100000766143 [0,1,0,0,0,0|3,0,0]=4 3323 B12R0.234 C=C(C)CCOCCCCCNC 34a_100000722520_100000730704 [0,1,0,0,0,0|3,0,0]=4 3324 B12R0.234 C=C(C)CCOCCOCCCC 34a_100000210238_100000730704 [0,1,0,0,0,0|3,0,0]=4 3325 B12R0.234 C=C(C)CCOCCOCCCC 34a_100000764851_100000743108 [0,1,0,0,0,0|3,0,0]=4 3326 B12R0.234 C=C(C)CCOCCOCCCC 7a_100000210238_100000730704 [0,1,0,0,0,0|3,0,0]=4 3327 B12R0.234 C=C(C)CCOCCSCCCC 34a_200000230436_100000730704 [0,1,0,0,0,0|3,0,0]=4 3328 B12R0.234 C=C(C)CCOCCSCCCC 7a_200000230436_100000730704 [0,1,0,0,0,0|3,0,0]=4 3329 B12R0.234 C=C(C)CCSCCCCCCC 62a_100000210614_100000730704 [0,1,0,0,0,0|2,0,0]=3 3330 B12R0.234 C=C(C)CCSCCCCCCC 62a_100000730704_100000210316 [0,1,0,0,0,0|2,0,0]=3 3331 B12R0.234 C=C(C)CCSCCCCCCF 62a_100000730704_100015922095 [0,1,0,0,0,0|3,0,0]=4 3332 B12R0.234 C=C(C)CCSCCCCCCF 62a_100015922095_100000730704 [0,1,0,0,0,0|3,0,0]=4 3333 B12R0.234 C=C(C)CCSCCCCCCO 62a_100000730704_100000766143 [0,1,0,0,0,0|3,0,0]=4 3334 B12R0.234 C=C(C)CCSCCCCCCO 62a_100000766143_100000730704 [0,1,0,0,0,0|3,0,0]=4 3335 B12R0.234 C=C(C)CCSCCOCCCC 62a_100000730704_100000743108 [0,1,0,0,0,0|3,0,0]=4 3336 B12R0.234 C=C(C)CCSCCOCCCC 62a_100000743108_100000730704 [0,1,0,0,0,0|3,0,0]=4 3337 B12R0.234 C=C(C)CNCCCCCCCC 2230a_100000229939_100000748629 [0,1,0,0,0,0|2,0,0]=3 3338 B12R0.234 C=C(C)CNCCCCCCCC 34a_100000229939_100000748629 [0,1,0,0,0,0|2,0,0]=3 3339 B12R0.234 C=C(C)CNCCCCCCCO 2230a_100011996573_100000748629 [0,1,0,0,0,0|3,0,0]=4 3340 B12R0.234 C=C(C)CNCCCCCCCO 34a_100011996573_100000748629 [0,1,0,0,0,0|3,0,0]=4 3341 B12R0.234 C=C(C)CNCCCOCCCC 2230a_200000211371_100000748629 [0,1,0,0,0,0|3,0,0]=4 3342 B12R0.234 C=C(C)CNCCCOCCCC 34a_200000211371_100000748629 [0,1,0,0,0,0|3,0,0]=4 3343 B12R0.234 C=C(C)COCCCCCCCBr 34a_100000760002_100000748629 [0,1,0,0,0,0|3,0,0]=4 3344 B12R0.234 C=C(C)COCCCCCCCBr 7a_100000760002_100000748629 [0,1,0,0,0,0|3,0,0]=4 3345 B12R0.234 C=C(C)COCCCCCCCC 34a_100000210232_100000748629 [0,1,0,0,0,0|2,0,0]=3 3346 B12R0.234 C=C(C)COCCCCCCCC 34a_100000210245_100000210759 [0,1,0,0,0,0|2,0,0]=3 3347 B12R0.234 C=C(C)COCCCCCCCC 7a_100000210232_100000748629 [0,1,0,0,0,0|2,0,0]=3 3348 B12R0.234 C=C(C)COCCCCCCCN 34a_100011996573_100000748629 [0,1,0,0,0,0|3,0,0]=4 3349 B12R0.234 C=C(C)COCCCCCCCO 34a_100000210245_100000760002 [0,1,0,0,0,0|3,0,0]=4 3350 B12R0.234 C=C(C)COCCCCCCOC 34a_100000210245_100011998445 [0,1,0,0,0,0|3,0,0]=4 3351 B12R0.234 C=C(C)COCCCCCCOC 34a_200012092642_100000748629 [0,1,0,0,0,0|3,0,0]=4 3352 B12R0.234 C=C(C)COCCCCCCOC 7a_200012092642_100000748629 [0,1,0,0,0,0|3,0,0]=4 3353 B12R0.234 C=C(C)COCCCOCCCC 34a_200011215613_100000748629 [0,1,0,0,0,0|3,0,0]=4 3354 B12R0.234 C=C(C)COCCCOCCCC 7a_200011215613_100000748629 [0,1,0,0,0,0|3,0,0]=4 3355 B12R0.234 C=C(C)COCCNCCCCC 34a_100000224656_100000748629 [0,1,0,0,0,0|3,0,0]=4 3356 B12R0.234 C=C(C)COCCOCCCCC 34a_100011215259_100000748629 [0,1,0,0,0,0|3,0,0]=4 3357 B12R0.234 C=C(C)COCCOCCCCC 7a_100011215259_100000748629 [0,1,0,0,0,0|3,0,0]=4 3358 B12R0.234 C=C(C)CSCCCCCCCC 62a_100000210759_100000211660 [0,1,0,0,0,0|2,0,0]=3 3359 B12R0.234 C=C(C)CSCCCCCCCC 62a_100000748629_100000210317 [0,1,0,0,0,0|2,0,0]=3 3360 B12R0.234 C=C(C)CSCCCCCCCO 62a_100000748629_100000760002 [0,1,0,0,0,0|3,0,0]=4 3361 B12R0.234 C=C(C)CSCCCCCCCO 62a_100000760002_100000211660 [0,1,0,0,0,0|3,0,0]=4 3362 B12R0.234 C=C(C)CSCCCCCCOC 62a_100000748629_100011998445 [0,1,0,0,0,0|3,0,0]=4 3363 B12R0.234 C=C(C)CSCCCCCCOC 62a_100011998445_100000211660 [0,1,0,0,0,0|3,0,0]=4 3364 B12R0.234 C=C(F)CNCCCCCCCC 2230a_100000229939_100009893438 [0,1,0,0,0,0|2,0,0]=3 3365 B12R0.234 C=C(F)CNCCCCCCCC 34a_100000229939_100009893438 [0,1,0,0,0,0|2,0,0]=3 3366 B12R0.234 C=C(F)CNCCCCCCCO 2230a_100011996573_100009893438 [0,1,0,0,0,0|3,0,0]=4 3367 B12R0.234 C=C(F)CNCCCCCCCO 34a_100011996573_100009893438 [0,1,0,0,0,0|3,0,0]=4 3368 B12R0.234 C=C(F)CNCCCOCCCC 2230a_200000211371_100009893438 [0,1,0,0,0,0|3,0,0]=4 3369 B12R0.234 C=C(F)CNCCCOCCCC 34a_200000211371_100009893438 [0,1,0,0,0,0|3,0,0]=4 3370 B12R0.234 C=C(F)COCCCCCCCBr 34a_100000760002_100009893438 [0,1,0,0,0,0|3,0,0]=4 3371 B12R0.234 C=C(F)COCCCCCCCBr 7a_100000760002_100000042424 [0,1,0,0,0,0|3,0,0]=4 3372 B12R0.234 C=C(F)COCCCCCCCC 34a_100000210232_100009893438 [0,1,0,0,0,0|2,0,0]=3 3373 B12R0.234 C=C(F)COCCCCCCCC 34a_200010262243_100000210759 [0,1,0,0,0,0|2,0,0]=3 3374 B12R0.234 C=C(F)COCCCCCCCC 7a_100000210232_100000042424 [0,1,0,0,0,0|2,0,0]=3 3375 B12R0.234 C=C(F)COCCCCCCCN 34a_100011996573_100009893438 [0,1,0,0,0,0|3,0,0]=4 3376 B12R0.234 C=C(F)COCCCCCCCO 34a_200010262243_100000760002 [0,1,0,0,0,0|3,0,0]=4 3377 B12R0.234 C=C(F)COCCCCCCOC 34a_200010262243_100011998445 [0,1,0,0,0,0|3,0,0]=4 3378 B12R0.234 C=C(F)COCCCCCCOC 34a_200012092642_100009893438 [0,1,0,0,0,0|3,0,0]=4 3379 B12R0.234 C=C(F)COCCCCCCOC 7a_200012092642_100000042424 [0,1,0,0,0,0|3,0,0]=4 3380 B12R0.234 C=C(F)COCCCOCCCC 34a_200011215613_100009893438 [0,1,0,0,0,0|3,0,0]=4 3381 B12R0.234 C=C(F)COCCCOCCCC 7a_200011215613_100000042424 [0,1,0,0,0,0|3,0,0]=4 3382 B12R0.234 C=C(F)COCCNCCCCC 34a_100000224656_100009893438 [0,1,0,0,0,0|3,0,0]=4 3383 B12R0.234 C=C(F)COCCOCCCCC 34a_100011215259_100009893438 [0,1,0,0,0,0|3,0,0]=4 3384 B12R0.234 C=C(F)COCCOCCCCC 7a_100011215259_100000042424 [0,1,0,0,0,0|3,0,0]=4 3385 B12R0.234 C=C(F)CSCCCCCCCC 62a_100000042424_100000210317 [0,1,0,0,0,0|2,0,0]=3 3386 B12R0.234 C=C(F)CSCCCCCCCC 62a_100000210759_100000042424 [0,1,0,0,0,0|2,0,0]=3 3387 B12R0.234 C=C(F)CSCCCCCCCO 62a_100000042424_100000760002 [0,1,0,0,0,0|3,0,0]=4 3388 B12R0.234 C=C(F)CSCCCCCCCO 62a_100000760002_100000042424 [0,1,0,0,0,0|3,0,0]=4 3389 B12R0.234 C=C(F)CSCCCCCCOC 62a_100000042424_100011998445 [0,1,0,0,0,0|3,0,0]=4 3390 B12R0.234 C=C(F)CSCCCCCCOC 62a_100011998445_100000042424 [0,1,0,0,0,0|3,0,0]=4 3391 B12R0.234 C=CCCCCCCCCC(=O)C 1458a_100000070787_100011933949 [0,1,0,0,0,0|1,0,1]=3 3392 B12R0.234 C=CCCCCCCCCC(=O)C 1458a_100000211349_200000210301 [0,1,0,0,0,0|1,0,1]=3 3393 B12R0.234 C=CCCCCCCCCC(=O)[13CH3] 1458a_100000211349_200025704644 [0,1,0,0,0,0|1,0,1]=3 3394 B12R0.234 C=CCCCCCCNCC(=O)N 2230a_100000711301_100011215473 [0,1,0,0,0,0|1,0,2]=4 3395 B12R0.234 C=CCCCCCCNCC(=O)O 269956a_100016091260_100011215473 [0,1,0,0,0,0|0,0,2]=3 3396 B12R0.234 C=CCCCCCCOCC(=O)C 34a_100000211253_100011215473 [0,1,0,0,0,0|1,0,2]=4 3397 B12R0.234 C=CCCCCCCOCC(=O)N 34a_200011216477_100000187820 [0,1,0,0,0,0|1,0,2]=4 3398 B12R0.234 C=CCCCCCCOCC(=O)N 7a_200011216477_100000187820 [0,1,0,0,0,0|1,0,2]=4 3399 B12R0.234 C=CCCCCCCOCC(=O)[O-] 34a_200011216477_100020667443 [0,1,0,0,0,0|0,0,3]=4 3400 B12R0.234 C=CCCCCCCSCC(=O)N 62a_100000747473_100011215473 [0,1,0,0,0,0|1,0,2]=4 3401 B12R0.234 C=CCCCCCCSCC(=O)N 62a_100011215473_100000747473 [0,1,0,0,0,0|1,0,2]=4 3402 B12R0.234 C=CCCCCCCSCC(=O)[O-] 62a_100011215473_100020667443 [0,1,0,0,0,0|0,0,3]=4 3403 B12R0.234 C=CCCCCCCSCC(=O)[O-] 62a_100020667443_100011215473 [0,1,0,0,0,0|0,0,3]=4 3404 B12R0.234 C=CCCCCCNOCC(=O)O 269956a_100000106656_100000700193 [0,1,0,0,0,0|1,0,2]=4 3405 B12R0.234 C=CCCCCCOCCC(=O)C 34a_100000759926_100000700193 [0,1,0,0,0,0|1,0,2]=4 3406 B12R0.234 C=CCCCCCOCCC(=O)C 7a_100000759926_100000700193 [0,1,0,0,0,0|1,0,2]=4 3407 B12R0.234 C=CCCCCCOCCC(=O)C 7a_100011216702_100000053229 [0,1,0,0,0,0|1,0,2]=4 3408 B12R0.234 C=CCCCCCOCCC(=O)N 34a_100000757172_100000700193 [0,1,0,0,0,0|1,0,2]=4 3409 B12R0.234 C=CCCCCCOCCC(=O)N 34a_100011216702_100000731001 [0,1,0,0,0,0|1,0,2]=4 3410 B12R0.234 C=CCCCCCOCCC(=O)N 7a_100000757172_100000700193 [0,1,0,0,0,0|1,0,2]=4 3411 B12R0.234 C=CCCCCCOCCC(=O)N 7a_100011216702_100000744528 [0,1,0,0,0,0|1,0,2]=4 3412 B12R0.234 C=CCCCCCSCCC(=O)C 62a_100000053229_100000700193 [0,1,0,0,0,0|1,0,2]=4 3413 B12R0.234 C=CCCCCCSCCC(=O)C 62a_100000700193_100000053229 [0,1,0,0,0,0|1,0,2]=4 3414 B12R0.234 C=CCCCCCSCCC(=O)N 62a_100000700193_100000744528 [0,1,0,0,0,0|1,0,2]=4 3415 B12R0.234 C=CCCCCCSCCC(=O)N 62a_100000744528_100000700193 [0,1,0,0,0,0|1,0,2]=4 3416 B12R0.234 C=CCCCCNCCCC(=O)C 34a_100000703577_100000685027 [0,1,0,0,0,0|1,0,2]=4 3417 B12R0.234 C=CCCCCNCCCC(=O)N 34a_100000703577_100102525003 [0,1,0,0,0,0|1,0,2]=4 3418 B12R0.234 C=CCCCCNCCCC(=O)N 34a_100000739312_100011215482 [0,1,0,0,0,0|1,0,2]=4 3419 B12R0.234 C=CCCCCOCCCC(=O)C 34a_100000759063_100011215482 [0,1,0,0,0,0|1,0,2]=4 3420 B12R0.234 C=CCCCCOCCCC(=O)C 34a_100000766645_100000685027 [0,1,0,0,0,0|1,0,2]=4 3421 B12R0.234 C=CCCCCOCCCC(=O)C 7a_100000759063_100011215482 [0,1,0,0,0,0|1,0,2]=4 3422 B12R0.234 C=CCCCCOCCCC(=O)C 7a_100000766645_100011215641 [0,1,0,0,0,0|1,0,2]=4 3423 B12R0.234 C=CCCCCOCCCC(=O)N 34a_100000766645_100102525003 [0,1,0,0,0,0|1,0,2]=4 3424 B12R0.234 C=CCCCCOCCCC(=O)N 7a_100000766645_100102525003 [0,1,0,0,0,0|1,0,2]=4 3425 B12R0.234 C=CCCCCSCCCC(=O)C 62a_100011215482_100011215641 [0,1,0,0,0,0|1,0,2]=4 3426 B12R0.234 C=CCCCCSCCCC(=O)C 62a_100011215641_100011215482 [0,1,0,0,0,0|1,0,2]=4 3427 B12R0.234 C=CCCCCSCCCC(=O)N 62a_100011215482_100102525003 [0,1,0,0,0,0|1,0,2]=4 3428 B12R0.234 C=CCCCCSCCCC(=O)N 62a_100102525003_100011215482 [0,1,0,0,0,0|1,0,2]=4 3429 B12R0.234 C=CCCCNCCCCC(=O)C 34a_100000700776_100009817362 [0,1,0,0,0,0|1,0,2]=4 3430 B12R0.234 C=CCCCNCCCCC(=O)N 34a_100000696515_100000757094 [0,1,0,0,0,0|1,0,2]=4 3431 B12R0.234 C=CCCCNCCOCC(=O)O 269956a_100000700818_100011713584 [0,1,0,0,0,0|1,0,2]=4 3432 B12R0.234 C=CCCCOCCCCC(=O)C 34a_100000758997_100009817362 [0,1,0,0,0,0|1,0,2]=4 3433 B12R0.234 C=CCCCOCCCCC(=O)C 7a_100000758997_100000735457 [0,1,0,0,0,0|1,0,2]=4 3434 B12R0.234 C=CCCCOCCCCC(=O)N 34a_100012022536_100000757094 [0,1,0,0,0,0|1,0,2]=4 3435 B12R0.234 C=CCCCOCCCCC(=O)N 7a_100012022536_100000757094 [0,1,0,0,0,0|1,0,2]=4 3436 B12R0.234 C=CCCCSCCCCC(=O)C 62a_100000735457_100000757094 [0,1,0,0,0,0|1,0,2]=4 3437 B12R0.234 C=CCCCSCCCCC(=O)C 62a_100011713584_100000735457 [0,1,0,0,0,0|1,0,2]=4 3438 B12R0.234 C=CCCNCCCCCC(=O)N 2230a_100015191253_100009817443 [0,1,0,0,0,0|1,0,2]=4 3439 B12R0.234 C=CCCOCCCCCC(=O)N 34a_100000123541_100000754431 [0,1,0,0,0,0|1,0,2]=4 3440 B12R0.234 C=CCCOCCCCCC(=O)N 34a_100011205117_100009817443 [0,1,0,0,0,0|1,0,2]=4 3441 B12R0.234 C=CCCOCCCCCC(=O)N 7a_100000123541_100000754431 [0,1,0,0,0,0|1,0,2]=4 3442 B12R0.234 C=CCCOCCCCCC(=O)[O-] 7a_100102619762_100000754431 [0,1,0,0,0,0|0,0,3]=4 3443 B12R0.234 C=CCCSCCCCCC(=O)N 62a_100000754431_100009817443 [0,1,0,0,0,0|1,0,2]=4 3444 B12R0.234 C=CCCSCCCCCC(=O)N 62a_100009817443_100000754431 [0,1,0,0,0,0|1,0,2]=4 3445 B12R0.234 CC#CCCCCCCCC(=O)C 1458a_100000066323_200000210301 [0,1,0,0,0,0|1,0,1]=3 3446 B12R0.234 CC#CCCCCCCCC(=O)[13CH3] 1458a_100000066323_200025704644 [0,1,0,0,0,0|1,0,1]=3 3447 B12R0.234 CC#CCCOCCCCC(=O)C 34a_100000750427_100009817362 [0,1,0,0,0,0|1,0,2]=4 3448 B12R0.234 CC#CCNCCCCCC(=O)N 2230a_100000685387_100009817443 [0,1,0,0,0,0|1,0,2]=4 3449 B12R0.234 CC#CCNCCCCCC(=O)N 34a_100000685387_100009817443 [0,1,0,0,0,0|1,0,2]=4 3450 B12R0.234 CC#CCOCCCCCC(=O)N 34a_100000123541_100000748600 [0,1,0,0,0,0|1,0,2]=4 3451 B12R0.234 CC#CCOCCCCCC(=O)N 34a_100000761923_100009817443 [0,1,0,0,0,0|1,0,2]=4 3452 B12R0.234 CC#CCOCCCCCC(=O)N 7a_100000123541_100000748600 [0,1,0,0,0,0|1,0,2]=4 3453 B12R0.234 CC#CCOCCCCCC(=O)[O-] 7a_100102619762_100000748600 [0,1,0,0,0,0|0,0,3]=4 3454 B12R0.234 CC#CCSCCCCCC(=O)N 62a_100000748600_100009817443 [0,1,0,0,0,0|1,0,2]=4 3455 B12R0.234 CC#CCSCCCCCC(=O)N 62a_100009817443_100000748600 [0,1,0,0,0,0|1,0,2]=4 3456 B12R0.234 CC(=O)CCCCCCCCCF 1458a_200009909015_200000210301 [0,1,0,0,0,0|1,0,0]=2 3457 B12R0.234 CC(=O)CCCCCCCCCO 1458a_100000070787_100009813782 [0,1,0,0,0,0|1,0,0]=2 3458 B12R0.234 CC(=O)CCCCNCCCCO 34a_100000750430_100009817362 [0,1,0,0,0,0|2,0,0]=3 3459 B12R0.234 CC(=O)CCCCOCCCCBr 34a_100011216708_100009817362 [0,1,0,0,0,0|2,0,0]=3 3460 B12R0.234 CC(=O)CCCCOCCCCCl 34a_100000210776_100009817362 [0,1,0,0,0,0|2,0,0]=3 3461 B12R0.234 CC(=O)CCCCOCCCCCl 7a_100000210776_100000735457 [0,1,0,0,0,0|2,0,0]=3 3462 B12R0.234 CC(=O)CCCCOCCCCF 34a_100011995726_100009817362 [0,1,0,0,0,0|2,0,0]=3 3463 B12R0.234 CC(=O)CCCCOCCCCF 7a_100011995726_100000735457 [0,1,0,0,0,0|2,0,0]=3 3464 B12R0.234 CC(=O)CCCCOCCCCI 34a_200012148704_100009817362 [0,1,0,0,0,0|2,0,0]=3 3465 B12R0.234 CC(=O)CCCCOCCCCN 34a_100000750430_100009817362 [0,1,0,0,0,0|2,0,0]=3 3466 B12R0.234 CC(=O)CCCCSCCCC#N 62a_100000687738_100000735457 [0,1,0,0,0,0|2,0,1]=4 3467 B12R0.234 CC(=O)CCCCSCCCC#N 62a_100000735457_100000687738 [0,1,0,0,0,0|2,0,1]=4 3468 B12R0.234 CC(=O)CCCCSCCCC=O 62a_100000735457_200011292268 [0,1,0,0,0,0|2,0,1]=4 3469 B12R0.234 CC(=O)CCCCSCCCC=O 62a_200011292268_100000735457 [0,1,0,0,0,0|2,0,1]=4 3470 B12R0.234 CC(=O)CCCCSCCCCF 62a_100000729493_100000735457 [0,1,0,0,0,0|2,0,0]=3 3471 B12R0.234 CC(=O)CCCCSCCCCF 62a_100000735457_100000729493 [0,1,0,0,0,0|2,0,0]=3 3472 B12R0.234 CC(=O)CCCCSCCCCO 62a_100000210776_100000735457 [0,1,0,0,0,0|2,0,0]=3 3473 B12R0.234 CC(=O)CCCCSCCCCO 62a_100000735457_100000210776 [0,1,0,0,0,0|2,0,0]=3 3474 B12R0.234 CC(=O)CCCNCCCCCO 34a_100000762737_100000685027 [0,1,0,0,0,0|2,0,0]=3 3475 B12R0.234 CC(=O)CCCNCCOCCO 34a_100000211614_100000685027 [0,1,0,0,0,0|3,0,0]=4 3476 B12R0.234 CC(=O)CCCOCCCCC#N 7a_100000759063_100000211819 [0,1,0,0,0,0|2,0,1]=4 3477 B12R0.234 CC(=O)CCCOCCCCC=O 7a_100000759063_100000139335 [0,1,0,0,0,0|2,0,1]=4 3478 B12R0.234 CC(=O)CCCOCCCCCBr 34a_100000746331_100000685027 [0,1,0,0,0,0|2,0,0]=3 3479 B12R0.234 CC(=O)CCCOCCCCCBr 7a_100000746331_100011215641 [0,1,0,0,0,0|2,0,0]=3 3480 B12R0.234 CC(=O)CCCOCCCCCCl 34a_100000746330_100000685027 [0,1,0,0,0,0|2,0,0]=3 3481 B12R0.234 CC(=O)CCCOCCCCCCl 7a_100000746330_100011215641 [0,1,0,0,0,0|2,0,0]=3 3482 B12R0.234 CC(=O)CCCOCCCCCF 34a_100000759063_100000729378 [0,1,0,0,0,0|2,0,0]=3 3483 B12R0.234 CC(=O)CCCOCCCCCF 7a_100000759063_100000729378 [0,1,0,0,0,0|2,0,0]=3 3484 B12R0.234 CC(=O)CCCOCCCCCI 34a_200012148887_100000685027 [0,1,0,0,0,0|2,0,0]=3 3485 B12R0.234 CC(=O)CCCOCCCCCI 7a_200012148887_100011215641 [0,1,0,0,0,0|2,0,0]=3 3486 B12R0.234 CC(=O)CCCOCCCCCN 34a_100000762737_100000685027 [0,1,0,0,0,0|2,0,0]=3 3487 B12R0.234 CC(=O)CCCOCCCCCO 34a_100000759063_100000746330 [0,1,0,0,0,0|2,0,0]=3 3488 B12R0.234 CC(=O)CCCOCCCCCO 7a_100000759063_100000746330 [0,1,0,0,0,0|2,0,0]=3 3489 B12R0.234 CC(=O)CCCOCCOCCBr 34a_100000692535_100000685027 [0,1,0,0,0,0|3,0,0]=4 3490 B12R0.234 CC(=O)CCCOCCOCCBr 7a_100000692535_100011215641 [0,1,0,0,0,0|3,0,0]=4 3491 B12R0.234 CC(=O)CCCOCCOCCCl 34a_100011215305_100000685027 [0,1,0,0,0,0|3,0,0]=4 3492 B12R0.234 CC(=O)CCCOCCOCCCl 7a_100011215305_100011215641 [0,1,0,0,0,0|3,0,0]=4 3493 B12R0.234 CC(=O)CCCOCCOCCF 34a_200015357709_100000685027 [0,1,0,0,0,0|3,0,0]=4 3494 B12R0.234 CC(=O)CCCOCCOCCF 7a_200015357709_100011215641 [0,1,0,0,0,0|3,0,0]=4 3495 B12R0.234 CC(=O)CCCOCCOCCI 34a_100012149058_100000685027 [0,1,0,0,0,0|3,0,0]=4 3496 B12R0.234 CC(=O)CCCOCCOCCI 7a_100012149058_100011215641 [0,1,0,0,0,0|3,0,0]=4 3497 B12R0.234 CC(=O)CCCOCCOCCN 34a_100000211614_100000685027 [0,1,0,0,0,0|3,0,0]=4 3498 B12R0.234 CC(=O)CCCOCCOCCO 34a_100000759063_100000692535 [0,1,0,0,0,0|3,0,0]=4 3499 B12R0.234 CC(=O)CCCOCCOCCO 7a_100000759063_100011215305 [0,1,0,0,0,0|3,0,0]=4 3500 B12R0.234 CC(=O)CCCSCCCCC#N 62a_100011215641_100000211819 [0,1,0,0,0,0|2,0,1]=4 3501 B12R0.234 CC(=O)CCCSCCCCC#N 62a_100011219923_100011215641 [0,1,0,0,0,0|2,0,1]=4 3502 B12R0.234 CC(=O)CCCSCCCCC=O 62a_100000139335_100011215641 [0,1,0,0,0,0|2,0,1]=4 3503 B12R0.234 CC(=O)CCCSCCCCC=O 62a_100011215641_100000139335 [0,1,0,0,0,0|2,0,1]=4 3504 B12R0.234 CC(=O)CCCSCCCCCF 62a_100000729378_100011215641 [0,1,0,0,0,0|2,0,0]=3 3505 B12R0.234 CC(=O)CCCSCCCCCF 62a_100011215641_100000729378 [0,1,0,0,0,0|2,0,0]=3 3506 B12R0.234 CC(=O)CCCSCCCCCO 62a_100000746330_100011215641 [0,1,0,0,0,0|2,0,0]=3 3507 B12R0.234 CC(=O)CCCSCCCCCO 62a_100011215641_100000746330 [0,1,0,0,0,0|2,0,0]=3 3508 B12R0.234 CC(=O)CCCSCCOCCO 62a_100011215305_100011215641 [0,1,0,0,0,0|3,0,0]=4 3509 B12R0.234 CC(=O)CCCSCCOCCO 62a_100011215641_100011215305 [0,1,0,0,0,0|3,0,0]=4 3510 B12R0.234 CC(=O)CCOCCCCCC#N 7a_100000759926_100009813376 [0,1,0,0,0,0|2,0,1]=4 3511 B12R0.234 CC(=O)CCOCCCCCC=O 7a_100000759926_100000139337 [0,1,0,0,0,0|2,0,1]=4 3512 B12R0.234 CC(=O)CCOCCCCCCBr 7a_100011215345_100000053229 [0,1,0,0,0,0|2,0,0]=3 3513 B12R0.234 CC(=O)CCOCCCCCCCl 7a_100000766143_100000053229 [0,1,0,0,0,0|2,0,0]=3 3514 B12R0.234 CC(=O)CCOCCCCCCF 34a_100000759926_100015922095 [0,1,0,0,0,0|2,0,0]=3 3515 B12R0.234 CC(=O)CCOCCCCCCF 7a_100000732779_100000053229 [0,1,0,0,0,0|2,0,0]=3 3516 B12R0.234 CC(=O)CCOCCCCCCF 7a_100000759926_100015922095 [0,1,0,0,0,0|2,0,0]=3 3517 B12R0.234 CC(=O)CCOCCCCCCO 34a_100000759926_100000766143 [0,1,0,0,0,0|2,0,0]=3 3518 B12R0.234 CC(=O)CCOCCCCCCO 7a_100000759926_100000766143 [0,1,0,0,0,0|2,0,0]=3 3519 B12R0.234 CC(=O)CCSCCCCCC#N 62a_100000053229_100009813376 [0,1,0,0,0,0|2,0,1]=4 3520 B12R0.234 CC(=O)CCSCCCCCC#N 62a_100009813376_100000053229 [0,1,0,0,0,0|2,0,1]=4 3521 B12R0.234 CC(=O)CCSCCCCCC=O 62a_100000053229_100000139337 [0,1,0,0,0,0|2,0,1]=4 3522 B12R0.234 CC(=O)CCSCCCCCC=O 62a_100000139337_100000053229 [0,1,0,0,0,0|2,0,1]=4 3523 B12R0.234 CC(=O)CCSCCCCCCF 62a_100000053229_100015922095 [0,1,0,0,0,0|2,0,0]=3 3524 B12R0.234 CC(=O)CCSCCCCCCF 62a_100015922095_100000053229 [0,1,0,0,0,0|2,0,0]=3 3525 B12R0.234 CC(=O)CCSCCCCCCO 62a_100000053229_100000766143 [0,1,0,0,0,0|2,0,0]=3 3526 B12R0.234 CC(=O)CCSCCCCCCO 62a_100000766143_100000053229 [0,1,0,0,0,0|2,0,0]=3 3527 B12R0.234 CC(=O)COCCCCCCCO 34a_100000211253_100000760002 [0,1,0,0,0,0|2,0,0]=3 3528 B12R0.234 CC(=O)NCCCCCCCCO 240690a_102515433106_100015343762 [0,1,0,0,0,0|2,0,0]=3 3529 B12R0.234 CC(=O)NCCCCCCNCF 34a_200011996284_100015361967 [0,1,0,0,0,0|3,0,0]=4 3530 B12R0.234 CC(=O)NCCCCCNCCF 2230a_200012022750_100011217306 [0,1,0,0,0,0|3,0,0]=4 3531 B12R0.234 CC(=O)NCCCCCNCCF 34a_200012022750_100011217306 [0,1,0,0,0,0|3,0,0]=4 3532 B12R0.234 CC(=O)NCCCCCNCCO 2230a_200012022750_100000211926 [0,1,0,0,0,0|3,0,0]=4 3533 B12R0.234 CC(=O)NCCCCCNCCO 34a_200012022750_100000211926 [0,1,0,0,0,0|3,0,0]=4 3534 B12R0.234 CC(=O)NCCCCNCCCF 2230a_200011368371_100011934791 [0,1,0,0,0,0|3,0,0]=4 3535 B12R0.234 CC(=O)NCCCCNCCCF 34a_200011368371_100011934791 [0,1,0,0,0,0|3,0,0]=4 3536 B12R0.234 CC(=O)NCCCCNCCCO 2230a_200011368371_100000230001 [0,1,0,0,0,0|3,0,0]=4 3537 B12R0.234 CC(=O)NCCCCNCCCO 34a_200011368371_100000230001 [0,1,0,0,0,0|3,0,0]=4 3538 B12R0.234 CC(=O)NCCCNCCCCF 34a_100000736810_100000729493 [0,1,0,0,0,0|3,0,0]=4 3539 B12R0.234 CC(=O)NCCCNCCCCO 34a_100000736810_100011216708 [0,1,0,0,0,0|3,0,0]=4 3540 B12R0.234 CC(=O)NCCCOCCCCF 34a_100000752032_100000729493 [0,1,0,0,0,0|3,0,0]=4 3541 B12R0.234 CC(=O)NCCCOCCCCO 34a_100000752032_100011216708 [0,1,0,0,0,0|3,0,0]=4 3542 B12R0.234 CC(=O)NCCNCCCCCF 2230a_100000209853_100000729378 [0,1,0,0,0,0|3,0,0]=4 3543 B12R0.234 CC(=O)NCCNCCCCCO 2230a_100000209853_100000746330 [0,1,0,0,0,0|3,0,0]=4 3544 B12R0.234 CC(=O)NCCNCCCCCO 2230a_100000762737_100000189650 [0,1,0,0,0,0|3,0,0]=4 3545 B12R0.234 CC(=O)NCCOCCCCCBr 7a_100000746331_100000189650 [0,1,0,0,0,0|3,0,0]=4 3546 B12R0.234 CC(=O)NCCOCCCCCCl 7a_100000746330_100000189650 [0,1,0,0,0,0|3,0,0]=4 3547 B12R0.234 CC(=O)NCCOCCCCCF 34a_100000158858_100000729378 [0,1,0,0,0,0|3,0,0]=4 3548 B12R0.234 CC(=O)NCCOCCCCCI 7a_200012148887_100000189650 [0,1,0,0,0,0|3,0,0]=4 3549 B12R0.234 CC(=O)NCCOCCCCCO 34a_100000158858_100000746330 [0,1,0,0,0,0|3,0,0]=4 3550 B12R0.234 CC(=O)NCCSCCCCCF 62a_100000189650_100000729378 [0,1,0,0,0,0|3,0,0]=4 3551 B12R0.234 CC(=O)NCCSCCCCCF 62a_100000729378_100000189650 [0,1,0,0,0,0|3,0,0]=4 3552 B12R0.234 CC(=O)NCCSCCCCCO 62a_100000189650_100000746330 [0,1,0,0,0,0|3,0,0]=4 3553 B12R0.234 CC(=O)NCCSCCCCCO 62a_100000746330_100000189650 [0,1,0,0,0,0|3,0,0]=4 3554 B12R0.234 CC(=O)OCCCCCNCCF 34a_100000724931_100000033007 [0,1,0,0,0,0|3,0,0]=4 3555 B12R0.234 CC(=O)OCCCCCNCCO 2230a_100016997473_100009813381 [0,1,0,0,0,0|3,0,0]=4 3556 B12R0.234 CC(=O)OCCCCCNCCO 34a_100016990907_100000033007 [0,1,0,0,0,0|3,0,0]=4 3557 B12R0.234 CC(=O)OCCCCCOCCBr 34a_100000211926_100000033007 [0,1,0,0,0,0|3,0,0]=4 3558 B12R0.234 CC(=O)OCCCCCOCCN 34a_100000210304_100000033007 [0,1,0,0,0,0|3,0,0]=4 3559 B12R0.234 CC(=O)OCCCCCSCCF 62a_100000033007_100011217306 [0,1,0,0,0,0|3,0,0]=4 3560 B12R0.234 CC(=O)OCCCCCSCCF 62a_100011217306_100000033007 [0,1,0,0,0,0|3,0,0]=4 3561 B12R0.234 CC(=O)OCCCCCSCCO 62a_100000033007_100000211926 [0,1,0,0,0,0|3,0,0]=4 3562 B12R0.234 CC(=O)OCCCCCSCCO 62a_100000211926_100000033007 [0,1,0,0,0,0|3,0,0]=4 3563 B12R0.234 CC(=O)OCCCCNCCCF 34a_100015189416_100000033659 [0,1,0,0,0,0|3,0,0]=4 3564 B12R0.234 CC(=O)OCCCCOCCCBr 34a_100011217188_100000033659 [0,1,0,0,0,0|3,0,0]=4 3565 B12R0.234 CC(=O)OCCCCOCCCCl 34a_100000230001_100000033659 [0,1,0,0,0,0|3,0,0]=4 3566 B12R0.234 CC(=O)OCCCCOCCCF 34a_100000073216_100011934791 [0,1,0,0,0,0|3,0,0]=4 3567 B12R0.234 CC(=O)OCCCCOCCCF 34a_100000759539_100000033659 [0,1,0,0,0,0|3,0,0]=4 3568 B12R0.234 CC(=O)OCCCCOCCCF 7a_100000073216_100011934791 [0,1,0,0,0,0|3,0,0]=4 3569 B12R0.234 CC(=O)OCCCCOCCCN 34a_100000182051_100000033659 [0,1,0,0,0,0|3,0,0]=4 3570 B12R0.234 CC(=O)OCCCCOCCCO 34a_100000073216_100000230001 [0,1,0,0,0,0|3,0,0]=4 3571 B12R0.234 CC(=O)OCCCCOCCCO 7a_100000073216_100011215043 [0,1,0,0,0,0|3,0,0]=4 3572 B12R0.234 CC(=O)OCCCCSCCCF 62a_100000033659_100011934791 [0,1,0,0,0,0|3,0,0]=4 3573 B12R0.234 CC(=O)OCCCCSCCCF 62a_100011934791_100000033659 [0,1,0,0,0,0|3,0,0]=4 3574 B12R0.234 CC(=O)OCCCCSCCCO 62a_100000033659_100011215043 [0,1,0,0,0,0|3,0,0]=4 3575 B12R0.234 CC(=O)OCCCCSCCCO 62a_100011215043_100000033659 [0,1,0,0,0,0|3,0,0]=4 3576 B12R0.234 CC(=O)OCCCNCCCCO 34a_100000750430_100000042594 [0,1,0,0,0,0|3,0,0]=4 3577 B12R0.234 CC(=O)OCCCOCCCCBr 34a_100011216708_100000042594 [0,1,0,0,0,0|3,0,0]=4 3578 B12R0.234 CC(=O)OCCCOCCCCCl 34a_100000210776_100000042594 [0,1,0,0,0,0|3,0,0]=4 3579 B12R0.234 CC(=O)OCCCOCCCCCl 7a_100000210776_100000042594 [0,1,0,0,0,0|3,0,0]=4 3580 B12R0.234 CC(=O)OCCCOCCCCF 34a_100011995726_100000042594 [0,1,0,0,0,0|3,0,0]=4 3581 B12R0.234 CC(=O)OCCCOCCCCF 7a_100011995726_100000042594 [0,1,0,0,0,0|3,0,0]=4 3582 B12R0.234 CC(=O)OCCCOCCCCI 34a_200012148704_100000042594 [0,1,0,0,0,0|3,0,0]=4 3583 B12R0.234 CC(=O)OCCCOCCCCN 34a_100000750430_100000042594 [0,1,0,0,0,0|3,0,0]=4 3584 B12R0.234 CC(=O)OCCCSCCCCF 62a_100000042594_100000729493 [0,1,0,0,0,0|3,0,0]=4 3585 B12R0.234 CC(=O)OCCCSCCCCF 62a_100000729493_100000042594 [0,1,0,0,0,0|3,0,0]=4 3586 B12R0.234 CC(=O)OCCCSCCCCO 62a_100000042594_100000210776 [0,1,0,0,0,0|3,0,0]=4 3587 B12R0.234 CC(=O)OCCCSCCCCO 62a_100000210776_100000042594 [0,1,0,0,0,0|3,0,0]=4 3588 B12R0.234 CC(=O)OCCNCCCCCO 34a_100000762737_100009814007 [0,1,0,0,0,0|3,0,0]=4 3589 B12R0.234 CC(=O)OCCOCCCCCBr 34a_100000746331_100009814007 [0,1,0,0,0,0|3,0,0]=4 3590 B12R0.234 CC(=O)OCCOCCCCCBr 7a_100000746331_100009814007 [0,1,0,0,0,0|3,0,0]=4 3591 B12R0.234 CC(=O)OCCOCCCCCCl 34a_100000746330_100009814007 [0,1,0,0,0,0|3,0,0]=4 3592 B12R0.234 CC(=O)OCCOCCCCCCl 7a_100000746330_100009814007 [0,1,0,0,0,0|3,0,0]=4 3593 B12R0.234 CC(=O)OCCOCCCCCI 34a_200012148887_100009814007 [0,1,0,0,0,0|3,0,0]=4 3594 B12R0.234 CC(=O)OCCOCCCCCI 7a_200012148887_100009814007 [0,1,0,0,0,0|3,0,0]=4 3595 B12R0.234 CC(=O)OCCOCCCCCN 34a_100000762737_100009814007 [0,1,0,0,0,0|3,0,0]=4 3596 B12R0.234 CC(=O)OCCSCCCCCF 62a_100000729378_100009814007 [0,1,0,0,0,0|3,0,0]=4 3597 B12R0.234 CC(=O)OCCSCCCCCF 62a_100009814007_100000729378 [0,1,0,0,0,0|3,0,0]=4 3598 B12R0.234 CC(=O)OCCSCCCCCO 62a_100000746330_100009814007 [0,1,0,0,0,0|3,0,0]=4 3599 B12R0.234 CC(=O)OCCSCCCCCO 62a_100009814007_100000746330 [0,1,0,0,0,0|3,0,0]=4 3600 B12R0.234 CC(=O)OCNCCCCCCO 34a_100000686447_100009813279 [0,1,0,0,0,0|3,0,0]=4 3601 B12R0.234 CC(=O)OCOCCCCCCBr 34a_100011215345_100009813279 [0,1,0,0,0,0|3,0,0]=4 3602 B12R0.234 CC(=O)OCOCCCCCCCl 34a_100000766143_100009813279 [0,1,0,0,0,0|3,0,0]=4 3603 B12R0.234 CC(=O)OCOCCCCCCF 34a_100000732779_100009813279 [0,1,0,0,0,0|3,0,0]=4 3604 B12R0.234 CC(=O)OCOCCCCCCN 34a_100000686447_100009813279 [0,1,0,0,0,0|3,0,0]=4 3605 B12R0.234 CC(=O)OCSCCCCCCF 62a_100000076356_100015922095 [0,1,0,0,0,0|3,0,0]=4 3606 B12R0.234 CC(=O)OCSCCCCCCF 62a_100015922095_100000076356 [0,1,0,0,0,0|3,0,0]=4 3607 B12R0.234 CC(=O)OCSCCCCCCO 62a_100000076356_100000766143 [0,1,0,0,0,0|3,0,0]=4 3608 B12R0.234 CC(=O)OCSCCCCCCO 62a_100000766143_100000076356 [0,1,0,0,0,0|3,0,0]=4 3609 B12R0.234 CC(=O)SCCCCNCCCF 2230a_100015189416_200010402107 [0,1,0,0,0,0|3,0,0]=4 3610 B12R0.234 CC(=O)SCCCCNCCCF 34a_100015189416_200010402107 [0,1,0,0,0,0|3,0,0]=4 3611 B12R0.234 CC(=O)SCCCCOCCCBr 34a_100011217188_200010402107 [0,1,0,0,0,0|3,0,0]=4 3612 B12R0.234 CC(=O)SCCCCOCCCCl 34a_100000230001_200010402107 [0,1,0,0,0,0|3,0,0]=4 3613 B12R0.234 CC(=O)SCCCCOCCCF 34a_100000759539_200010402107 [0,1,0,0,0,0|3,0,0]=4 3614 B12R0.234 CC(=O)SCCCCOCCCN 34a_100000182051_200010402107 [0,1,0,0,0,0|3,0,0]=4 3615 B12R0.234 CC(=O)SCCCCSCCCF 62a_100011934791_200010402107 [0,1,0,0,0,0|3,0,0]=4 3616 B12R0.234 CC(=O)SCCCCSCCCF 62a_200010402107_100011934791 [0,1,0,0,0,0|3,0,0]=4 3617 B12R0.234 CC(=O)SCCCCSCCCO 62a_100011215043_200010402107 [0,1,0,0,0,0|3,0,0]=4 3618 B12R0.234 CC(=O)SCCCCSCCCO 62a_200010402107_100011215043 [0,1,0,0,0,0|3,0,0]=4 3619 B12R0.234 CC(=O)SCCCNCCCCO 2230a_100000750430_100000038929 [0,1,0,0,0,0|3,0,0]=4 3620 B12R0.234 CC(=O)SCCCNCCCCO 34a_100000750430_100000038929 [0,1,0,0,0,0|3,0,0]=4 3621 B12R0.234 CC(=O)SCCCOCCCCBr 34a_100011216708_100000038929 [0,1,0,0,0,0|3,0,0]=4 3622 B12R0.234 CC(=O)SCCCOCCCCCl 34a_100000210776_100000038929 [0,1,0,0,0,0|3,0,0]=4 3623 B12R0.234 CC(=O)SCCCOCCCCCl 7a_100000210776_100000038929 [0,1,0,0,0,0|3,0,0]=4 3624 B12R0.234 CC(=O)SCCCOCCCCF 34a_100011995726_100000038929 [0,1,0,0,0,0|3,0,0]=4 3625 B12R0.234 CC(=O)SCCCOCCCCF 7a_100011995726_100000038929 [0,1,0,0,0,0|3,0,0]=4 3626 B12R0.234 CC(=O)SCCCOCCCCI 34a_200012148704_100000038929 [0,1,0,0,0,0|3,0,0]=4 3627 B12R0.234 CC(=O)SCCCOCCCCN 34a_100000750430_100000038929 [0,1,0,0,0,0|3,0,0]=4 3628 B12R0.234 CC(=O)SCCCSCCCCF 62a_100000038929_100000729493 [0,1,0,0,0,0|3,0,0]=4 3629 B12R0.234 CC(=O)SCCCSCCCCF 62a_100000729493_100000038929 [0,1,0,0,0,0|3,0,0]=4 3630 B12R0.234 CC(=O)SCCCSCCCCO 62a_100000038929_100000210776 [0,1,0,0,0,0|3,0,0]=4 3631 B12R0.234 CC(=O)SCCCSCCCCO 62a_100000210776_100000038929 [0,1,0,0,0,0|3,0,0]=4 3632 B12R0.234 CC(O)CCCNCCCCCO 2230a_100000762737_200000718107 [0,1,0,0,0,0|2,0,1]=4 3633 B12R0.234 CC(O)CCCNCCCCCO 34a_100000762737_200000718107 [0,1,0,0,0,0|2,0,1]=4 3634 B12R0.234 CC(O)CCCOCCCCCBr 34a_100000746331_200000718107 [0,1,0,0,0,0|2,0,1]=4 3635 B12R0.234 CC(O)CCCOCCCCCBr 7a_100000746331_200000718107 [0,1,0,0,0,0|2,0,1]=4 3636 B12R0.234 CC(O)CCCOCCCCCCl 34a_100000746330_200000718107 [0,1,0,0,0,0|2,0,1]=4 3637 B12R0.234 CC(O)CCCOCCCCCCl 7a_100000746330_200000718107 [0,1,0,0,0,0|2,0,1]=4 3638 B12R0.234 CC(O)CCCOCCCCCI 34a_200012148887_200000718107 [0,1,0,0,0,0|2,0,1]=4 3639 B12R0.234 CC(O)CCCOCCCCCI 7a_200012148887_200000718107 [0,1,0,0,0,0|2,0,1]=4 3640 B12R0.234 CC(O)CCCOCCCCCN 34a_100000762737_200000718107 [0,1,0,0,0,0|2,0,1]=4 3641 B12R0.234 CC(O)CCCSCCCCCF 62a_100000729378_200000718107 [0,1,0,0,0,0|2,0,1]=4 3642 B12R0.234 CC(O)CCCSCCCCCF 62a_200000718107_100000729378 [0,1,0,0,0,0|2,0,1]=4 3643 B12R0.234 CC(O)CCCSCCCCCO 62a_100000746330_200000718107 [0,1,0,0,0,0|2,0,1]=4 3644 B12R0.234 CC(O)CCCSCCCCCO 62a_200000718107_100000746330 [0,1,0,0,0,0|2,0,1]=4 3645 B12R0.234 CC(O)CCNCCCCCCF 2230a_200000755665_100015922095 [0,1,0,0,0,0|2,0,1]=4 3646 B12R0.234 CC(O)CCNCCCCCCO 2230a_100000686447_100012276601 [0,1,0,0,0,0|2,0,1]=4 3647 B12R0.234 CC(O)CCNCCCCCCO 2230a_200000755665_100000766143 [0,1,0,0,0,0|2,0,1]=4 3648 B12R0.234 CC(O)CCNCCCCCCO 34a_100000686447_100012276601 [0,1,0,0,0,0|2,0,1]=4 3649 B12R0.234 CC(O)CCOCCCCCCBr 34a_100011215345_100012276601 [0,1,0,0,0,0|2,0,1]=4 3650 B12R0.234 CC(O)CCOCCCCCCBr 7a_100011215345_100012276601 [0,1,0,0,0,0|2,0,1]=4 3651 B12R0.234 CC(O)CCOCCCCCCCl 34a_100000766143_100012276601 [0,1,0,0,0,0|2,0,1]=4 3652 B12R0.234 CC(O)CCOCCCCCCCl 7a_100000766143_100012276601 [0,1,0,0,0,0|2,0,1]=4 3653 B12R0.234 CC(O)CCOCCCCCCF 34a_100000732779_100012276601 [0,1,0,0,0,0|2,0,1]=4 3654 B12R0.234 CC(O)CCOCCCCCCF 7a_100000732779_100012276601 [0,1,0,0,0,0|2,0,1]=4 3655 B12R0.234 CC(O)CCOCCCCCCN 34a_100000686447_100012276601 [0,1,0,0,0,0|2,0,1]=4 3656 B12R0.234 CC(O)CCSCCCCCCF 62a_100012276601_100015922095 [0,1,0,0,0,0|2,0,1]=4 3657 B12R0.234 CC(O)CCSCCCCCCF 62a_100015922095_100012276601 [0,1,0,0,0,0|2,0,1]=4 3658 B12R0.234 CC(O)CCSCCCCCCO 62a_100000766143_100012276601 [0,1,0,0,0,0|2,0,1]=4 3659 B12R0.234 CC(O)CCSCCCCCCO 62a_100012276601_100000766143 [0,1,0,0,0,0|2,0,1]=4 3660 B12R0.234 CC(O)CNCCCCCCCO 2230a_100000210904_100000760002 [0,1,0,0,0,0|2,0,1]=4 3661 B12R0.234 CC(O)CNCCCCCCCO 2230a_100011996573_100011218427 [0,1,0,0,0,0|2,0,1]=4 3662 B12R0.234 CC(O)CNCCCCCCCO 34a_100000210904_100000760002 [0,1,0,0,0,0|2,0,1]=4 3663 B12R0.234 CC(O)CNCCCCCCCO 34a_100011996573_100011218427 [0,1,0,0,0,0|2,0,1]=4 3664 B12R0.234 CC(O)COCCCCCCCBr 34a_100000760002_100011218427 [0,1,0,0,0,0|2,0,1]=4 3665 B12R0.234 CC(O)COCCCCCCCBr 7a_100000760002_100011218427 [0,1,0,0,0,0|2,0,1]=4 3666 B12R0.234 CC(O)COCCCCCCCN 34a_100011996573_100011218427 [0,1,0,0,0,0|2,0,1]=4 3667 B12R0.234 CC(O)CSCCCCCCCO 62a_100000760002_100011218427 [0,1,0,0,0,0|2,0,1]=4 3668 B12R0.234 CC(O)CSCCCCCCCO 62a_100011218427_100000760002 [0,1,0,0,0,0|2,0,1]=4 3669 B12R0.234 CC/C=C/CCCOCCC(=O)C 7a_100016287902_100000053229 [0,1,0,0,0,0|1,0,2]=4 3670 B12R0.234 CC/C=C/CCCOCCC(=O)N 34a_100016287902_100000731001 [0,1,0,0,0,0|1,0,2]=4 3671 B12R0.234 CC/C=C/CCCOCCC(=O)N 7a_100016287902_100000744528 [0,1,0,0,0,0|1,0,2]=4 3672 B12R0.234 CC/C=C\CCCCOCC(=O)N 34a_100016287862_100000187820 [0,1,0,0,0,0|1,0,2]=4 3673 B12R0.234 CC/C=C\CCCCOCC(=O)N 7a_100016287862_100000187820 [0,1,0,0,0,0|1,0,2]=4 3674 B12R0.234 CC/C=C\CCCCOCC(=O)[O-] 34a_100016287862_100020667443 [0,1,0,0,0,0|0,0,3]=4 3675 B12R0.234 CC/C=C\CCNCCCC(=O)N 34a_100000739312_100015370543 [0,1,0,0,0,0|1,0,2]=4 3676 B12R0.234 CC/C=C\CCOCCCC(=O)C 34a_100000759063_100015370543 [0,1,0,0,0,0|1,0,2]=4 3677 B12R0.234 CC/C=C\CCOCCCC(=O)C 34a_100016288707_100000685027 [0,1,0,0,0,0|1,0,2]=4 3678 B12R0.234 CC/C=C\CCOCCCC(=O)C 7a_100000759063_100015370543 [0,1,0,0,0,0|1,0,2]=4 3679 B12R0.234 CC/C=C\CCOCCCC(=O)C 7a_100016288707_100011215641 [0,1,0,0,0,0|1,0,2]=4 3680 B12R0.234 CC/C=C\CCOCCCC(=O)N 34a_100016288707_100102525003 [0,1,0,0,0,0|1,0,2]=4 3681 B12R0.234 CC/C=C\CCOCCCC(=O)N 7a_100016288707_100102525003 [0,1,0,0,0,0|1,0,2]=4 3682 B12R0.234 CC/C=C\CCSCCCC(=O)C 62a_100011215641_100015370543 [0,1,0,0,0,0|1,0,2]=4 3683 B12R0.234 CC/C=C\CCSCCCC(=O)C 62a_100015370543_100011215641 [0,1,0,0,0,0|1,0,2]=4 3684 B12R0.234 CC/C=C\CCSCCCC(=O)N 62a_100015370543_100102525003 [0,1,0,0,0,0|1,0,2]=4 3685 B12R0.234 CC/C=C\CCSCCCC(=O)N 62a_100102525003_100015370543 [0,1,0,0,0,0|1,0,2]=4 3686 B12R0.234 CC/C=C\CNCCCCC(=O)N 34a_100000696515_100103147603 [0,1,0,0,0,0|1,0,2]=4 3687 B12R0.234 CC/C=C\CNCCOCC(=O)O 269956a_100000700818_100103147603 [0,1,0,0,0,0|1,0,2]=4 3688 B12R0.234 CC/C=C\COCCCCC(=O)C 34a_100016268518_100009817362 [0,1,0,0,0,0|1,0,2]=4 3689 B12R0.234 CC/C=C\COCCCCC(=O)N 34a_100012022536_100103147603 [0,1,0,0,0,0|1,0,2]=4 3690 B12R0.234 CC/C=C\COCCCCC(=O)N 7a_100012022536_100103147603 [0,1,0,0,0,0|1,0,2]=4 3691 B12R0.234 CC/C=C\CSCCCCC(=O)C 62a_100000735457_100103147603 [0,1,0,0,0,0|1,0,2]=4 3692 B12R0.234 CC/C=C\CSCCCCC(=O)C 62a_100103147603_100000735457 [0,1,0,0,0,0|1,0,2]=4 3693 B12R0.234 CC=CCCCOCCCC(=O)C 34a_100020645299_100000685027 [0,1,0,0,0,0|1,0,2]=4 3694 B12R0.234 CC=CCCCOCCCC(=O)N 34a_100020645299_100102525003 [0,1,0,0,0,0|1,0,2]=4 3695 B12R0.234 CC=CCOCCCCCC(=O)N 34a_100000123541_100000070051 [0,1,0,0,0,0|1,0,2]=4 3696 B12R0.234 CC=CCOCCCCCC(=O)N 7a_100000123541_100000070051 [0,1,0,0,0,0|1,0,2]=4 3697 B12R0.234 CC=CCOCCCCCC(=O)[O-] 7a_100102619762_100000070051 [0,1,0,0,0,0|0,0,3]=4 3698 B12R0.234 CC=CCSCCCCCC(=O)N 62a_100000070051_100009817443 [0,1,0,0,0,0|1,0,2]=4 3699 B12R0.234 CC=CCSCCCCCC(=O)N 62a_100009817443_100000070051 [0,1,0,0,0,0|1,0,2]=4 3700 B12R0.234 CCC#CCCCCCCC(=O)C 1458a_100000070787_200000036426 [0,1,0,0,0,0|1,0,1]=3 3701 B12R0.234 CCC#CCCOCCCC(=O)C 34a_100000036655_100000685027 [0,1,0,0,0,0|1,0,2]=4 3702 B12R0.234 CCC#CCCOCCCC(=O)C 7a_100000036655_100011215641 [0,1,0,0,0,0|1,0,2]=4 3703 B12R0.234 CCC#CCCOCCCC(=O)N 34a_100000036655_100102525003 [0,1,0,0,0,0|1,0,2]=4 3704 B12R0.234 CCC#CCCOCCCC(=O)N 7a_100000036655_100102525003 [0,1,0,0,0,0|1,0,2]=4 3705 B12R0.234 CCC#CCNCCCCC(=O)N 34a_100000696515_100009813939 [0,1,0,0,0,0|1,0,2]=4 3706 B12R0.234 CCC#CCNCCOCC(=O)O 269956a_100000700818_100009813939 [0,1,0,0,0,0|1,0,2]=4 3707 B12R0.234 CCC#CCOCCCCC(=O)C 34a_100000032950_100009817362 [0,1,0,0,0,0|1,0,2]=4 3708 B12R0.234 CCC#CCOCCCCC(=O)N 34a_100012022536_100009813939 [0,1,0,0,0,0|1,0,2]=4 3709 B12R0.234 CCC#CCOCCCCC(=O)N 7a_100012022536_100009813939 [0,1,0,0,0,0|1,0,2]=4 3710 B12R0.234 CCC#CCSCCCCC(=O)C 62a_100000735457_100009813939 [0,1,0,0,0,0|1,0,2]=4 3711 B12R0.234 CCC#CCSCCCCC(=O)C 62a_100009813939_100000735457 [0,1,0,0,0,0|1,0,2]=4 3712 B12R0.234 CCC/C=C/COCCCC(=O)C 34a_100016278788_100000685027 [0,1,0,0,0,0|1,0,2]=4 3713 B12R0.234 CCC/C=C/COCCCC(=O)C 7a_100016278788_100011215641 [0,1,0,0,0,0|1,0,2]=4 3714 B12R0.234 CCC/C=C/COCCCC(=O)N 34a_100016278788_100102525003 [0,1,0,0,0,0|1,0,2]=4 3715 B12R0.234 CCC/C=C/COCCCC(=O)N 7a_100016278788_100102525003 [0,1,0,0,0,0|1,0,2]=4 3716 B12R0.234 CCCC#CCCOCCC(=O)C 7a_100000042726_100000053229 [0,1,0,0,0,0|1,0,2]=4 3717 B12R0.234 CCCC#CCCOCCC(=O)N 34a_100000042726_100000731001 [0,1,0,0,0,0|1,0,2]=4 3718 B12R0.234 CCCC#CCCOCCC(=O)N 7a_100000042726_100000744528 [0,1,0,0,0,0|1,0,2]=4 3719 B12R0.234 CCCC#CCOCCCC(=O)C 34a_100000034806_100000685027 [0,1,0,0,0,0|1,0,2]=4 3720 B12R0.234 CCCC#CCOCCCC(=O)C 7a_100000034806_100011215641 [0,1,0,0,0,0|1,0,2]=4 3721 B12R0.234 CCCC#CCOCCCC(=O)N 34a_100000034806_100102525003 [0,1,0,0,0,0|1,0,2]=4 3722 B12R0.234 CCCC#CCOCCCC(=O)N 7a_100000034806_100102525003 [0,1,0,0,0,0|1,0,2]=4 3723 B12R0.234 CCCC/C=C/COCCC(=O)C 7a_200016272032_100000053229 [0,1,0,0,0,0|1,0,2]=4 3724 B12R0.234 CCCC/C=C/COCCC(=O)N 34a_200016272032_100000731001 [0,1,0,0,0,0|1,0,2]=4 3725 B12R0.234 CCCC/C=C/COCCC(=O)N 7a_200016272032_100000744528 [0,1,0,0,0,0|1,0,2]=4 3726 B12R0.234 CCCC/C=C\CCOCC(=O)N 34a_200016286491_100000187820 [0,1,0,0,0,0|1,0,2]=4 3727 B12R0.234 CCCC/C=C\CCOCC(=O)N 7a_200016286491_100000187820 [0,1,0,0,0,0|1,0,2]=4 3728 B12R0.234 CCCC/C=C\CCOCC(=O)[O-] 34a_200016286491_100020667443 [0,1,0,0,0,0|0,0,3]=4 3729 B12R0.234 CCCCC#CCCOCC(=O)N 34a_100000037610_100000187820 [0,1,0,0,0,0|1,0,2]=4 3730 B12R0.234 CCCCC#CCCOCC(=O)N 7a_100000037610_100000187820 [0,1,0,0,0,0|1,0,2]=4 3731 B12R0.234 CCCCC#CCCOCC(=O)[O-] 34a_100000037610_100020667443 [0,1,0,0,0,0|0,0,3]=4 3732 B12R0.234 CCCCC#CCOCCC(=O)C 7a_200000034558_100000053229 [0,1,0,0,0,0|1,0,2]=4 3733 B12R0.234 CCCCC#CCOCCC(=O)N 34a_200000034558_100000731001 [0,1,0,0,0,0|1,0,2]=4 3734 B12R0.234 CCCCC#CCOCCC(=O)N 7a_200000034558_100000744528 [0,1,0,0,0,0|1,0,2]=4 3735 B12R0.234 CCCCC/C=C/COCC(=O)N 34a_100016258190_100000187820 [0,1,0,0,0,0|1,0,2]=4 3736 B12R0.234 CCCCC/C=C/COCC(=O)N 7a_100016258190_100000187820 [0,1,0,0,0,0|1,0,2]=4 3737 B12R0.234 CCCCC/C=C/COCC(=O)[O-] 34a_100016258190_100020667443 [0,1,0,0,0,0|0,0,3]=4 3738 B12R0.234 CCCCCC#CCNCC(=O)N 2230a_100000711301_100009816472 [0,1,0,0,0,0|1,0,2]=4 3739 B12R0.234 CCCCCC#CCNCC(=O)O 269956a_100016091260_100009816472 [0,1,0,0,0,0|0,0,2]=3 3740 B12R0.234 CCCCCC#CCOCC(=O)C 34a_100000211253_100009816472 [0,1,0,0,0,0|1,0,2]=4 3741 B12R0.234 CCCCCC#CCOCC(=O)N 34a_200000033628_100000187820 [0,1,0,0,0,0|1,0,2]=4 3742 B12R0.234 CCCCCC#CCOCC(=O)N 7a_200000033628_100000187820 [0,1,0,0,0,0|1,0,2]=4 3743 B12R0.234 CCCCCC#CCOCC(=O)[O-] 34a_200000033628_100020667443 [0,1,0,0,0,0|0,0,3]=4 3744 B12R0.234 CCCCCC#CCSCC(=O)N 62a_100000747473_100009816472 [0,1,0,0,0,0|1,0,2]=4 3745 B12R0.234 CCCCCC#CCSCC(=O)N 62a_100009816472_100000747473 [0,1,0,0,0,0|1,0,2]=4 3746 B12R0.234 CCCCCC#CCSCC(=O)[O-] 62a_100009816472_100020667443 [0,1,0,0,0,0|0,0,3]=4 3747 B12R0.234 CCCCCC#CCSCC(=O)[O-] 62a_100020667443_100009816472 [0,1,0,0,0,0|0,0,3]=4 3748 B12R0.234 CCCCCCCC=NNC(=O)C 4a_100000189765_100000210592 [0,1,0,0,0,0|2,0,1]=4 3749 B12R0.234 CCCCCCCCC=CC(=O)C 1458a_100015345288_200000210301 [0,1,0,0,0,0|1,0,1]=3 3750 B12R0.234 CCCCCCCCC=CC(=O)[13CH3] 1458a_100015345288_200025704644 [0,1,0,0,0,0|1,0,1]=3 3751 B12R0.234 CCCCCCCCCCC(=O)C 1458a_100000070787_100000210319 [0,1,0,0,0,0|1,0,0]=2 3752 B12R0.234 CCCCCCCCCCC(=O)C 1458a_100000210375_200000210301 [0,1,0,0,0,0|1,0,0]=2 3753 B12R0.234 CCCCCCCCCCC(=O)[13CH3] 1458a_100000210375_200025704644 [0,1,0,0,0,0|1,0,0]=2 3754 B12R0.234 CCCCCCCCCCN(C)C 2230a_100000207566_200000210301 [0,1,0,0,0,0|3,0,0]=4 3755 B12R0.234 CCCCCCCCCCN(C)C 2230a_100102631434_100000210320 [0,1,0,0,0,0|3,0,0]=4 3756 B12R0.234 CCCCCCCCCCN(C)C 269982a_100000207566_200000210301 [0,1,0,0,0,0|3,0,0]=4 3757 B12R0.234 CCCCCCCCCCN(C)C 269982a_100102631434_100000210320 [0,1,0,0,0,0|3,0,0]=4 3758 B12R0.234 CCCCCCCCCCN(C)[13CH3] 2230a_100000207566_200025704644 [0,1,0,0,0,0|3,0,0]=4 3759 B12R0.234 CCCCCCCCCCN(C)[13CH3] 269982a_100000207566_200025704644 [0,1,0,0,0,0|3,0,0]=4 3760 B12R0.234 CCCCCCCCCNC(=O)C 11a_100000212291_100015343762 [0,1,0,0,0,0|1,0,0]=2 3761 B12R0.234 CCCCCCCCCNC(=O)C 1626a_100000212291_100015343762 [0,1,0,0,0,0|1,0,0]=2 3762 B12R0.234 CCCCCCCCCNC(=O)C 240690a_100000212291_100015343762 [0,1,0,0,0,0|1,0,0]=2 3763 B12R0.234 CCCCCCCCCNC(=O)C 527a_100000212291_100103153847 [0,1,0,0,0,0|1,0,0]=2 3764 B12R0.234 CCCCCCCCCNC(C)C 2230a_100000212291_100000210206 [0,1,0,0,0,0|2,0,1]=4 3765 B12R0.234 CCCCCCCCCNC(C)C 2230a_100138425928_100011214924 [0,1,0,0,0,0|2,0,1]=4 3766 B12R0.234 CCCCCCCCCNC(C)C 34a_100000212291_100000210206 [0,1,0,0,0,0|2,0,1]=4 3767 B12R0.234 CCCCCCCCCNC(C)C 34a_100138425928_100011214924 [0,1,0,0,0,0|2,0,1]=4 3768 B12R0.234 CCCCCCCCCOC(C)C 34a_100000210712_100000210206 [0,1,0,0,0,0|2,0,1]=4 3769 B12R0.234 CCCCCCCCCOC(C)C 34a_100000212225_100011214924 [0,1,0,0,0,0|2,0,1]=4 3770 B12R0.234 CCCCCCCCCOC(C)C 7a_100000210712_100000210206 [0,1,0,0,0,0|2,0,1]=4 3771 B12R0.234 CCCCCCCCCSC(C)C 62a_100000210206_100000210670 [0,1,0,0,0,0|2,0,1]=4 3772 B12R0.234 CCCCCCCCNCC(=O)N 2230a_100000229939_100000747473 [0,1,0,0,0,0|1,0,0]=2 3773 B12R0.234 CCCCCCCCNCC(=O)N 2230a_100000711301_100000210759 [0,1,0,0,0,0|1,0,0]=2 3774 B12R0.234 CCCCCCCCNCC(=O)N 34a_100000229939_100000187820 [0,1,0,0,0,0|1,0,0]=2 3775 B12R0.234 CCCCCCCCNCC(=O)O 269956a_100016091260_100000210759 [0,1,0,0,0,0|0,0,0]=1 3776 B12R0.234 CCCCCCCCNCC(=O)[O-] 34a_100000229939_100020667443 [0,1,0,0,0,0|0,0,1]=2 3777 B12R0.234 CCCCCCCCNCC(C)C 2230a_100000210953_100000210759 [0,1,0,0,0,0|2,0,1]=4 3778 B12R0.234 CCCCCCCCNCC(C)C 2230a_100000229939_100000210760 [0,1,0,0,0,0|2,0,1]=4 3779 B12R0.234 CCCCCCCCNCC(C)C 270004a_100000229939_100000210432 [0,1,0,0,0,0|2,0,1]=4 3780 B12R0.234 CCCCCCCCNCC(C)C 34a_100000210953_100000210759 [0,1,0,0,0,0|2,0,1]=4 3781 B12R0.234 CCCCCCCCNCC(C)C 34a_100000229939_100000210624 [0,1,0,0,0,0|2,0,1]=4 3782 B12R0.234 CCCCCCCCNCC(C)O 2230a_100000210904_100000210759 [0,1,0,0,0,0|1,0,1]=3 3783 B12R0.234 CCCCCCCCNCC(C)O 2230a_100000229939_100011218427 [0,1,0,0,0,0|1,0,1]=3 3784 B12R0.234 CCCCCCCCNCC(C)O 34a_100000210904_100000210759 [0,1,0,0,0,0|1,0,1]=3 3785 B12R0.234 CCCCCCCCNCC(C)O 34a_100000229939_100011218427 [0,1,0,0,0,0|1,0,1]=3 3786 B12R0.234 CCCCCCCCNCC(F)F 2230a_100000229939_100011934356 [0,1,0,0,0,0|2,0,1]=4 3787 B12R0.234 CCCCCCCCNCC(F)F 34a_100000229939_100011934356 [0,1,0,0,0,0|2,0,1]=4 3788 B12R0.234 CCCCCCCCNCC(F)F 34a_100000765723_100000210759 [0,1,0,0,0,0|2,0,1]=4 3789 B12R0.234 CCCCCCCCNC[C@@H](C)O 2230a_100000229939_100009817552 [0,1,0,0,0,0|1,0,1]=3 3790 B12R0.234 CCCCCCCCNC[C@@H](C)O 34a_100000229939_100009817552 [0,1,0,0,0,0|1,0,1]=3 3791 B12R0.234 CCCCCCCCNC[N+](=O)[O-] 34a_100000229939_100000761209 [0,1,0,0,0,0|1,0,1]=3 3792 B12R0.234 CCCCCCCCOCC(=O)C 1458a_100000759886_200000210301 [0,1,0,0,0,0|1,0,0]=2 3793 B12R0.234 CCCCCCCCOCC(=O)C 34a_100000211253_100000210759 [0,1,0,0,0,0|1,0,0]=2 3794 B12R0.234 CCCCCCCCOCC(=O)N 34a_100000210232_100000187820 [0,1,0,0,0,0|1,0,0]=2 3795 B12R0.234 CCCCCCCCOCC(=O)N 7a_100000210232_100000187820 [0,1,0,0,0,0|1,0,0]=2 3796 B12R0.234 CCCCCCCCOCC(=O)[13CH3] 1458a_100000759886_200025704644 [0,1,0,0,0,0|1,0,0]=2 3797 B12R0.234 CCCCCCCCOCC(=O)[O-] 34a_100000210232_100020667443 [0,1,0,0,0,0|0,0,1]=2 3798 B12R0.234 CCCCCCCCOCC(C)Br 34a_100012180447_100000210759 [0,1,0,0,0,0|2,0,1]=4 3799 B12R0.234 CCCCCCCCOCC(C)C 34a_100000210232_100000210624 [0,1,0,0,0,0|2,0,1]=4 3800 B12R0.234 CCCCCCCCOCC(C)C 34a_100000210257_100000210759 [0,1,0,0,0,0|2,0,1]=4 3801 B12R0.234 CCCCCCCCOCC(C)C 7a_100000210232_100000210760 [0,1,0,0,0,0|2,0,1]=4 3802 B12R0.234 CCCCCCCCOCC(C)F 34a_100015925927_100000210759 [0,1,0,0,0,0|2,0,1]=4 3803 B12R0.234 CCCCCCCCOCC(C)O 34a_100000210232_100011218427 [0,1,0,0,0,0|1,0,1]=3 3804 B12R0.234 CCCCCCCCOCC(C)O 7a_100000210232_100011218427 [0,1,0,0,0,0|1,0,1]=3 3805 B12R0.234 CCCCCCCCOCC(F)F 34a_100000210232_100011934356 [0,1,0,0,0,0|2,0,1]=4 3806 B12R0.234 CCCCCCCCOCC(F)F 34a_100000743014_100000210759 [0,1,0,0,0,0|2,0,1]=4 3807 B12R0.234 CCCCCCCCOCC(F)F 7a_100000210232_100011934356 [0,1,0,0,0,0|2,0,1]=4 3808 B12R0.234 CCCCCCCCOC[C@@H](C)Cl 34a_100016084084_100000210759 [0,1,0,0,0,0|2,0,1]=4 3809 B12R0.234 CCCCCCCCOC[C@@H](C)N 34a_100000737577_100000210759 [0,1,0,0,0,0|2,0,1]=4 3810 B12R0.234 CCCCCCCCOC[C@@H](C)O 34a_100000210232_100009817552 [0,1,0,0,0,0|1,0,1]=3 3811 B12R0.234 CCCCCCCCOC[C@@H](C)O 7a_100000210232_100009817552 [0,1,0,0,0,0|1,0,1]=3 3812 B12R0.234 CCCCCCCCOC[N+](=O)[O-] 34a_100000210232_100000761209 [0,1,0,0,0,0|1,0,1]=3 3813 B12R0.234 CCCCCCCCSCC(=O)N 62a_100000210759_100000747473 [0,1,0,0,0,0|1,0,0]=2 3814 B12R0.234 CCCCCCCCSCC(=O)N 62a_100000747473_100000210317 [0,1,0,0,0,0|1,0,0]=2 3815 B12R0.234 CCCCCCCCSCC(=O)[O-] 62a_100000210759_100020667443 [0,1,0,0,0,0|0,0,1]=2 3816 B12R0.234 CCCCCCCCSCC(=O)[O-] 62a_100020667443_100000210317 [0,1,0,0,0,0|0,0,1]=2 3817 B12R0.234 CCCCCCCCSCC(C)C 62a_100000210624_100000210317 [0,1,0,0,0,0|2,0,1]=4 3818 B12R0.234 CCCCCCCCSCC(C)C 62a_100000210759_100000210760 [0,1,0,0,0,0|2,0,1]=4 3819 B12R0.234 CCCCCCCCSCC(C)O 62a_100000210759_100011218427 [0,1,0,0,0,0|1,0,1]=3 3820 B12R0.234 CCCCCCCCSCC(C)O 62a_100011218427_100000210317 [0,1,0,0,0,0|1,0,1]=3 3821 B12R0.234 CCCCCCCCSCC(F)F 62a_100000210759_100011934356 [0,1,0,0,0,0|2,0,1]=4 3822 B12R0.234 CCCCCCCCSCC(F)F 62a_100011934356_100000210317 [0,1,0,0,0,0|2,0,1]=4 3823 B12R0.234 CCCCCCCCSC[C@@H](C)O 62a_100000210759_100009817552 [0,1,0,0,0,0|1,0,1]=3 3824 B12R0.234 CCCCCCCCSC[C@@H](C)O 62a_100009817552_100000210317 [0,1,0,0,0,0|1,0,1]=3 3825 B12R0.234 CCCCCCCCSC[N+](=O)[O-] 62a_100000210759_100000761209 [0,1,0,0,0,0|1,0,1]=3 3826 B12R0.234 CCCCCCCNCC=C(C)C 2230a_100000229938_100000761012 [0,1,0,0,0,0|2,0,1]=4 3827 B12R0.234 CCCCCCCNCC=C(C)C 34a_100000718196_100000210614 [0,1,0,0,0,0|2,0,1]=4 3828 B12R0.234 CCCCCCCNCCC(=O)N 2230a_100000229938_100000744528 [0,1,0,0,0,0|1,0,0]=2 3829 B12R0.234 CCCCCCCNCCC(C)C 2230a_100000229938_100000210312 [0,1,0,0,0,0|2,0,1]=4 3830 B12R0.234 CCCCCCCNCCC(C)C 269862a_100000229938_100000185833 [0,1,0,0,0,0|2,0,1]=4 3831 B12R0.234 CCCCCCCNCCC(C)O 2230a_100000229938_100012276601 [0,1,0,0,0,0|1,0,1]=3 3832 B12R0.234 CCCCCCCNCCC(C)O 2230a_200000755665_100000210681 [0,1,0,0,0,0|1,0,1]=3 3833 B12R0.234 CCCCCCCNOCC(=O)O 269956a_100000106656_100000210614 [0,1,0,0,0,0|1,0,0]=2 3834 B12R0.234 CCCCCCCOCC=C(C)C 34a_100000210272_100000761012 [0,1,0,0,0,0|2,0,1]=4 3835 B12R0.234 CCCCCCCOCC=C(C)C 34a_100000753907_100000210614 [0,1,0,0,0,0|2,0,1]=4 3836 B12R0.234 CCCCCCCOCC=C(C)C 7a_100000210272_100000761012 [0,1,0,0,0,0|2,0,1]=4 3837 B12R0.234 CCCCCCCOCCC(=O)C 34a_100000759926_100000210614 [0,1,0,0,0,0|1,0,0]=2 3838 B12R0.234 CCCCCCCOCCC(=O)C 7a_100000210272_100000053229 [0,1,0,0,0,0|1,0,0]=2 3839 B12R0.234 CCCCCCCOCCC(=O)C 7a_100000759926_100000210614 [0,1,0,0,0,0|1,0,0]=2 3840 B12R0.234 CCCCCCCOCCC(=O)N 34a_100000210272_100000731001 [0,1,0,0,0,0|1,0,0]=2 3841 B12R0.234 CCCCCCCOCCC(=O)N 34a_100000757172_100000210614 [0,1,0,0,0,0|1,0,0]=2 3842 B12R0.234 CCCCCCCOCCC(=O)N 7a_100000210272_100000744528 [0,1,0,0,0,0|1,0,0]=2 3843 B12R0.234 CCCCCCCOCCC(=O)N 7a_100000757172_100000210614 [0,1,0,0,0,0|1,0,0]=2 3844 B12R0.234 CCCCCCCOCCC(C)Br 34a_100009893172_100000210614 [0,1,0,0,0,0|2,0,1]=4 3845 B12R0.234 CCCCCCCOCCC(C)C 34a_100000210254_100000210614 [0,1,0,0,0,0|2,0,1]=4 3846 B12R0.234 CCCCCCCOCCC(C)C 34a_100000210272_100000210312 [0,1,0,0,0,0|2,0,1]=4 3847 B12R0.234 CCCCCCCOCCC(C)C 7a_100000210254_100000210614 [0,1,0,0,0,0|2,0,1]=4 3848 B12R0.234 CCCCCCCOCCC(C)C 7a_100000210272_100000210626 [0,1,0,0,0,0|2,0,1]=4 3849 B12R0.234 CCCCCCCOCCC(C)O 34a_100000210272_100012276601 [0,1,0,0,0,0|1,0,1]=3 3850 B12R0.234 CCCCCCCOCCC(C)O 7a_100000210272_100012276601 [0,1,0,0,0,0|1,0,1]=3 3851 B12R0.234 CCCCCCCOCCC(F)F 34a_100103093639_100000210614 [0,1,0,0,0,0|2,0,1]=4 3852 B12R0.234 CCCCCCCOCCN(C)C 7a_100000210272_100000755713 [0,1,0,0,0,0|3,0,0]=4 3853 B12R0.234 CCCCCCCOCC[C@@H](C)N 34a_100000706166_100000210614 [0,1,0,0,0,0|2,0,1]=4 3854 B12R0.234 CCCCCCCOCOC(=O)C 34a_100000210272_100009813279 [0,1,0,0,0,0|2,0,0]=3 3855 B12R0.234 CCCCCCCSCC=C(C)C 62a_100000210614_100000761012 [0,1,0,0,0,0|2,0,1]=4 3856 B12R0.234 CCCCCCCSCC=C(C)C 62a_100000761012_100000210316 [0,1,0,0,0,0|2,0,1]=4 3857 B12R0.234 CCCCCCCSCCC(=O)C 62a_100000053229_100000210316 [0,1,0,0,0,0|1,0,0]=2 3858 B12R0.234 CCCCCCCSCCC(=O)C 62a_100000210614_100000053229 [0,1,0,0,0,0|1,0,0]=2 3859 B12R0.234 CCCCCCCSCCC(=O)N 62a_100000210614_100000744528 [0,1,0,0,0,0|1,0,0]=2 3860 B12R0.234 CCCCCCCSCCC(=O)N 62a_100000744528_100000210316 [0,1,0,0,0,0|1,0,0]=2 3861 B12R0.234 CCCCCCCSCCC(C)C 62a_100000210312_100000210316 [0,1,0,0,0,0|2,0,1]=4 3862 B12R0.234 CCCCCCCSCCC(C)C 62a_100000210614_100000210312 [0,1,0,0,0,0|2,0,1]=4 3863 B12R0.234 CCCCCCCSCCC(C)O 62a_100000210614_100012276601 [0,1,0,0,0,0|1,0,1]=3 3864 B12R0.234 CCCCCCCSCCC(C)O 62a_100012276601_100000210316 [0,1,0,0,0,0|1,0,1]=3 3865 B12R0.234 CCCCCCCSCCN(C)C 62a_100000210614_100000755713 [0,1,0,0,0,0|3,0,0]=4 3866 B12R0.234 CCCCCCCSCOC(=O)C 62a_100000076356_100000210316 [0,1,0,0,0,0|2,0,0]=3 3867 B12R0.234 CCCCCCCSCOC(=O)C 62a_100000210614_100000076356 [0,1,0,0,0,0|2,0,0]=3 3868 B12R0.234 CCCCCCNCCC=C(C)C 2230a_100000210581_100011217483 [0,1,0,0,0,0|2,0,1]=4 3869 B12R0.234 CCCCCCNCCC=C(F)F 2230a_100000210581_200009816681 [0,1,0,0,0,0|2,0,1]=4 3870 B12R0.234 CCCCCCNCCCC(=O)N 34a_100000739312_100000210314 [0,1,0,0,0,0|1,0,0]=2 3871 B12R0.234 CCCCCCNCCCC(C)C 2230a_100000210581_100011214892 [0,1,0,0,0,0|2,0,1]=4 3872 B12R0.234 CCCCCCNCCCC(C)C 2230a_200000737386_100000210314 [0,1,0,0,0,0|2,0,1]=4 3873 B12R0.234 CCCCCCNCCCC(C)C 34a_200000737386_100000210314 [0,1,0,0,0,0|2,0,1]=4 3874 B12R0.234 CCCCCCNCCCC(C)O 2230a_100000210581_200000718107 [0,1,0,0,0,0|1,0,1]=3 3875 B12R0.234 CCCCCCNCCCS(=O)C 2230a_200000753449_100000210314 [0,1,0,0,0,0|2,0,0]=3 3876 B12R0.234 CCCCCCNCCNC(=O)C 2230a_100000209853_100000210314 [0,1,0,0,0,0|2,0,0]=3 3877 B12R0.234 CCCCCCNCCNC(=O)C 2230a_100000210581_100000189650 [0,1,0,0,0,0|2,0,0]=3 3878 B12R0.234 CCCCCCNCCNC(=O)N 2230a_100000210581_200000034859 [0,1,0,0,0,0|2,0,0]=3 3879 B12R0.234 CCCCCCNCCNC(=O)N 34a_100020590234_100000210314 [0,1,0,0,0,0|2,0,0]=3 3880 B12R0.234 CCCCCCOCCC=C(C)C 34a_100000210259_100011217483 [0,1,0,0,0,0|2,0,1]=4 3881 B12R0.234 CCCCCCOCCC=C(C)C 7a_100000210259_100011217483 [0,1,0,0,0,0|2,0,1]=4 3882 B12R0.234 CCCCCCOCCC=C(F)F 34a_100000210259_200009816681 [0,1,0,0,0,0|2,0,1]=4 3883 B12R0.234 CCCCCCOCCC=C(F)F 7a_100000210259_200009816681 [0,1,0,0,0,0|2,0,1]=4 3884 B12R0.234 CCCCCCOCCCC(=O)C 34a_100000210259_100000685027 [0,1,0,0,0,0|1,0,0]=2 3885 B12R0.234 CCCCCCOCCCC(=O)C 34a_100000759063_100000210314 [0,1,0,0,0,0|1,0,0]=2 3886 B12R0.234 CCCCCCOCCCC(=O)C 7a_100000210259_100011215641 [0,1,0,0,0,0|1,0,0]=2 3887 B12R0.234 CCCCCCOCCCC(=O)C 7a_100000759063_100000210314 [0,1,0,0,0,0|1,0,0]=2 3888 B12R0.234 CCCCCCOCCCC(=O)N 34a_100000210259_100102525003 [0,1,0,0,0,0|1,0,0]=2 3889 B12R0.234 CCCCCCOCCCC(=O)N 7a_100000210259_100102525003 [0,1,0,0,0,0|1,0,0]=2 3890 B12R0.234 CCCCCCOCCCC(C)C 34a_100000210259_100011214892 [0,1,0,0,0,0|2,0,1]=4 3891 B12R0.234 CCCCCCOCCCC(C)C 34a_100000210774_100000210314 [0,1,0,0,0,0|2,0,1]=4 3892 B12R0.234 CCCCCCOCCCC(C)C 7a_100000210259_100011214892 [0,1,0,0,0,0|2,0,1]=4 3893 B12R0.234 CCCCCCOCCCC(C)C 7a_100000210774_100000210314 [0,1,0,0,0,0|2,0,1]=4 3894 B12R0.234 CCCCCCOCCCC(C)O 34a_100000210259_200000718107 [0,1,0,0,0,0|1,0,1]=3 3895 B12R0.234 CCCCCCOCCCC(C)O 7a_100000210259_200000718107 [0,1,0,0,0,0|1,0,1]=3 3896 B12R0.234 CCCCCCOCCCN(C)C 7a_100000210259_100000757444 [0,1,0,0,0,0|3,0,0]=4 3897 B12R0.234 CCCCCCOCCC[N+](=O)[O-] 34a_200000037920_100000210314 [0,1,0,0,0,0|1,0,1]=3 3898 B12R0.234 CCCCCCOCCNC(=O)C 34a_100000158858_100000210314 [0,1,0,0,0,0|2,0,0]=3 3899 B12R0.234 CCCCCCOCCNC(=O)C 7a_100000210259_100000189650 [0,1,0,0,0,0|2,0,0]=3 3900 B12R0.234 CCCCCCOCCNC(=O)N 34a_100000181757_100000210314 [0,1,0,0,0,0|2,0,0]=3 3901 B12R0.234 CCCCCCOCCNC(=O)N 7a_100000210259_200000034859 [0,1,0,0,0,0|2,0,0]=3 3902 B12R0.234 CCCCCCOCCOC(=O)C 34a_100000210259_100009814007 [0,1,0,0,0,0|2,0,0]=3 3903 B12R0.234 CCCCCCOCCOC(=O)C 7a_100000210259_100009814007 [0,1,0,0,0,0|2,0,0]=3 3904 B12R0.234 CCCCCCOCCOC(=O)N 34a_100000210259_200011214921 [0,1,0,0,0,0|2,0,0]=3 3905 B12R0.234 CCCCCCOCCOC(=O)N 7a_100000210259_200011214921 [0,1,0,0,0,0|2,0,0]=3 3906 B12R0.234 CCCCCCOCCOC(=O)N 7a_100000766696_100000210314 [0,1,0,0,0,0|2,0,0]=3 3907 B12R0.234 CCCCCCSCCC=C(C)C 62a_100000210314_100011217483 [0,1,0,0,0,0|2,0,1]=4 3908 B12R0.234 CCCCCCSCCC=C(C)C 62a_100011217483_100000210757 [0,1,0,0,0,0|2,0,1]=4 3909 B12R0.234 CCCCCCSCCC=C(F)F 62a_100000210314_200009816681 [0,1,0,0,0,0|2,0,1]=4 3910 B12R0.234 CCCCCCSCCC=C(F)F 62a_200009816681_100000210757 [0,1,0,0,0,0|2,0,1]=4 3911 B12R0.234 CCCCCCSCCCC(=O)C 62a_100000210314_100011215641 [0,1,0,0,0,0|1,0,0]=2 3912 B12R0.234 CCCCCCSCCCC(=O)C 62a_100011215641_100000210757 [0,1,0,0,0,0|1,0,0]=2 3913 B12R0.234 CCCCCCSCCCC(=O)N 62a_100000210314_100102525003 [0,1,0,0,0,0|1,0,0]=2 3914 B12R0.234 CCCCCCSCCCC(=O)N 62a_100102525003_100000210757 [0,1,0,0,0,0|1,0,0]=2 3915 B12R0.234 CCCCCCSCCCC(C)C 62a_100000210314_100011214892 [0,1,0,0,0,0|2,0,1]=4 3916 B12R0.234 CCCCCCSCCCC(C)C 62a_100011214892_100000210757 [0,1,0,0,0,0|2,0,1]=4 3917 B12R0.234 CCCCCCSCCCC(C)O 62a_100000210314_200000718107 [0,1,0,0,0,0|1,0,1]=3 3918 B12R0.234 CCCCCCSCCCC(C)O 62a_200000718107_100000210757 [0,1,0,0,0,0|1,0,1]=3 3919 B12R0.234 CCCCCCSCCCN(C)C 62a_100000210314_100000757444 [0,1,0,0,0,0|3,0,0]=4 3920 B12R0.234 CCCCCCSCCNC(=O)C 62a_100000189650_100000210757 [0,1,0,0,0,0|2,0,0]=3 3921 B12R0.234 CCCCCCSCCNC(=O)C 62a_100000210314_100000189650 [0,1,0,0,0,0|2,0,0]=3 3922 B12R0.234 CCCCCCSCCNC(=O)N 62a_100000210314_200000034859 [0,1,0,0,0,0|2,0,0]=3 3923 B12R0.234 CCCCCCSCCNC(=O)N 62a_200000034859_100000210757 [0,1,0,0,0,0|2,0,0]=3 3924 B12R0.234 CCCCCCSCCOC(=O)C 62a_100000210314_100009814007 [0,1,0,0,0,0|2,0,0]=3 3925 B12R0.234 CCCCCCSCCOC(=O)C 62a_100009814007_100000210757 [0,1,0,0,0,0|2,0,0]=3 3926 B12R0.234 CCCCCCSCCOC(=O)N 62a_100000210314_200011214921 [0,1,0,0,0,0|2,0,0]=3 3927 B12R0.234 CCCCCCSCCOC(=O)N 62a_200011214921_100000210757 [0,1,0,0,0,0|2,0,0]=3 3928 B12R0.234 CCCCCNCCCCB(O)O 2230a_100000209983_200009817182 [0,1,0,0,0,0|1,0,1]=3 3929 B12R0.234 CCCCCNCCCCC(=O)N 34a_100000696515_100000718602 [0,1,0,0,0,0|1,0,0]=2 3930 B12R0.234 CCCCCNCCCCC(C)C 2230a_100000209983_100011216152 [0,1,0,0,0,0|2,0,1]=4 3931 B12R0.234 CCCCCNCCCNC(=O)C 34a_100000736810_100000718602 [0,1,0,0,0,0|2,0,0]=3 3932 B12R0.234 CCCCCNCCCOC(=S)C 2230a_100000209983_200135323944 [0,1,0,0,0,0|2,1,0]=4 3933 B12R0.234 CCCCCNCCCSC(=O)C 2230a_100000209983_100000038929 [0,1,0,0,0,0|2,0,0]=3 3934 B12R0.234 CCCCCNCCOCC(=O)N 2230a_100000209983_100000076697 [0,1,0,0,0,0|2,0,0]=3 3935 B12R0.234 CCCCCNCCOCC(=O)N 34a_100000224656_100000187820 [0,1,0,0,0,0|2,0,0]=3 3936 B12R0.234 CCCCCNCCOCC(=O)O 269956a_100000700818_100000210326 [0,1,0,0,0,0|1,0,0]=2 3937 B12R0.234 CCCCCNCCOCC(=O)[O-] 34a_100000224656_100020667443 [0,1,0,0,0,0|1,0,1]=3 3938 B12R0.234 CCCCCNCCOCC(C)O 34a_100000224656_100011218427 [0,1,0,0,0,0|2,0,1]=4 3939 B12R0.234 CCCCCNCCOC[C@@H](C)O 34a_100000224656_100009817552 [0,1,0,0,0,0|2,0,1]=4 3940 B12R0.234 CCCCCNCCOC[N+](=O)[O-] 34a_100000224656_100000761209 [0,1,0,0,0,0|2,0,1]=4 3941 B12R0.234 CCCCCOCCCCB(O)O 34a_100000210253_200009817182 [0,1,0,0,0,0|1,0,1]=3 3942 B12R0.234 CCCCCOCCCCB(O)O 7a_100000210253_200009817182 [0,1,0,0,0,0|1,0,1]=3 3943 B12R0.234 CCCCCOCCCCC(=O)C 34a_100000210253_100009817362 [0,1,0,0,0,0|1,0,0]=2 3944 B12R0.234 CCCCCOCCCCC(=O)C 7a_100000210253_100000735457 [0,1,0,0,0,0|1,0,0]=2 3945 B12R0.234 CCCCCOCCCCC(=O)N 34a_100012022536_100000718602 [0,1,0,0,0,0|1,0,0]=2 3946 B12R0.234 CCCCCOCCCCC(=O)N 7a_100012022536_100000210326 [0,1,0,0,0,0|1,0,0]=2 3947 B12R0.234 CCCCCOCCCCC(C)C 34a_100000210253_100011216152 [0,1,0,0,0,0|2,0,1]=4 3948 B12R0.234 CCCCCOCCCCC(C)C 34a_100011214890_100000718602 [0,1,0,0,0,0|2,0,1]=4 3949 B12R0.234 CCCCCOCCCCC(C)C 7a_100000210253_100011216152 [0,1,0,0,0,0|2,0,1]=4 3950 B12R0.234 CCCCCOCCCCC(C)C 7a_100011214890_100000210326 [0,1,0,0,0,0|2,0,1]=4 3951 B12R0.234 CCCCCOCCCC[N+](=O)[O-] 34a_200015379883_100000718602 [0,1,0,0,0,0|1,0,1]=3 3952 B12R0.234 CCCCCOCCCC[N+](=O)[O-] 7a_200015379883_100000210326 [0,1,0,0,0,0|1,0,1]=3 3953 B12R0.234 CCCCCOCCCNC(=O)C 34a_100000752032_100000718602 [0,1,0,0,0,0|2,0,0]=3 3954 B12R0.234 CCCCCOCCCOC(=O)C 34a_100000210253_100000042594 [0,1,0,0,0,0|2,0,0]=3 3955 B12R0.234 CCCCCOCCCOC(=O)C 7a_100000210253_100000042594 [0,1,0,0,0,0|2,0,0]=3 3956 B12R0.234 CCCCCOCCCOC(=S)C 34a_100000210253_200135323944 [0,1,0,0,0,0|2,1,0]=4 3957 B12R0.234 CCCCCOCCCOC(=S)C 7a_100000210253_200135323944 [0,1,0,0,0,0|2,1,0]=4 3958 B12R0.234 CCCCCOCCCSC(=O)C 34a_100000210253_100000038929 [0,1,0,0,0,0|2,0,0]=3 3959 B12R0.234 CCCCCOCCCSC(=O)C 7a_100000210253_100000038929 [0,1,0,0,0,0|2,0,0]=3 3960 B12R0.234 CCCCCOCCOCC(=O)N 34a_100000210253_100000076697 [0,1,0,0,0,0|2,0,0]=3 3961 B12R0.234 CCCCCOCCOCC(=O)N 34a_100011215259_100000187820 [0,1,0,0,0,0|2,0,0]=3 3962 B12R0.234 CCCCCOCCOCC(=O)N 7a_100000210253_100000076697 [0,1,0,0,0,0|2,0,0]=3 3963 B12R0.234 CCCCCOCCOCC(=O)N 7a_100011215259_100000187820 [0,1,0,0,0,0|2,0,0]=3 3964 B12R0.234 CCCCCOCCOCC(=O)[O-] 34a_100011215259_100020667443 [0,1,0,0,0,0|1,0,1]=3 3965 B12R0.234 CCCCCOCCOCC(C)O 34a_100011215259_100011218427 [0,1,0,0,0,0|2,0,1]=4 3966 B12R0.234 CCCCCOCCOCC(C)O 7a_100011215259_100011218427 [0,1,0,0,0,0|2,0,1]=4 3967 B12R0.234 CCCCCOCCOC[C@@H](C)O 34a_100011215259_100009817552 [0,1,0,0,0,0|2,0,1]=4 3968 B12R0.234 CCCCCOCCOC[C@@H](C)O 7a_100011215259_100009817552 [0,1,0,0,0,0|2,0,1]=4 3969 B12R0.234 CCCCCOCCOC[N+](=O)[O-] 34a_100011215259_100000761209 [0,1,0,0,0,0|2,0,1]=4 3970 B12R0.234 CCCCCSCCCCB(O)O 62a_100000210326_200009817182 [0,1,0,0,0,0|1,0,1]=3 3971 B12R0.234 CCCCCSCCCCB(O)O 62a_200009817182_100000210326 [0,1,0,0,0,0|1,0,1]=3 3972 B12R0.234 CCCCCSCCCCC(=O)C 62a_100000210326_100000735457 [0,1,0,0,0,0|1,0,0]=2 3973 B12R0.234 CCCCCSCCCCC(=O)C 62a_100000735457_100000210326 [0,1,0,0,0,0|1,0,0]=2 3974 B12R0.234 CCCCCSCCCCC(C)C 62a_100000210326_100011216152 [0,1,0,0,0,0|2,0,1]=4 3975 B12R0.234 CCCCCSCCCCC(C)C 62a_100011216152_100000210326 [0,1,0,0,0,0|2,0,1]=4 3976 B12R0.234 CCCCCSCCCCN(C)C 62a_100000210326_100000690147 [0,1,0,0,0,0|3,0,0]=4 3977 B12R0.234 CCCCCSCCCOC(=O)C 62a_100000042594_100000210326 [0,1,0,0,0,0|2,0,0]=3 3978 B12R0.234 CCCCCSCCCOC(=O)C 62a_100000210326_100000042594 [0,1,0,0,0,0|2,0,0]=3 3979 B12R0.234 CCCCCSCCCOC(=S)C 62a_100000210326_200135323944 [0,1,0,0,0,0|2,1,0]=4 3980 B12R0.234 CCCCCSCCCOC(=S)C 62a_200135323944_100000210326 [0,1,0,0,0,0|2,1,0]=4 3981 B12R0.234 CCCCCSCCCSC(=O)C 62a_100000038929_100000210326 [0,1,0,0,0,0|2,0,0]=3 3982 B12R0.234 CCCCCSCCCSC(=O)C 62a_100000210326_100000038929 [0,1,0,0,0,0|2,0,0]=3 3983 B12R0.234 CCCCCSCCOCC(=O)N 62a_100000076697_100000210326 [0,1,0,0,0,0|2,0,0]=3 3984 B12R0.234 CCCCCSCCOCC(=O)N 62a_100000210326_100000076697 [0,1,0,0,0,0|2,0,0]=3 3985 B12R0.234 CCCCNCCCCCB(O)O 2230a_100000102301_200009817188 [0,1,0,0,0,0|1,0,1]=3 3986 B12R0.234 CCCCNCCCCCB(O)O 7a_106832991798_200009817188 [0,1,0,0,0,0|1,0,1]=3 3987 B12R0.234 CCCCNCCCCCC(=O)N 2230a_100000102301_100009817443 [0,1,0,0,0,0|1,0,0]=2 3988 B12R0.234 CCCCNCCCCCC(=O)N 7a_106832991798_100009817443 [0,1,0,0,0,0|1,0,0]=2 3989 B12R0.234 CCCCNCCCCCC(C)C 2230a_100000102301_100000210682 [0,1,0,0,0,0|2,0,1]=4 3990 B12R0.234 CCCCNCCCCCC(C)C 2230a_100011290863_100000210211 [0,1,0,0,0,0|2,0,1]=4 3991 B12R0.234 CCCCNCCCCCC(C)C 34a_100011290863_100000210210 [0,1,0,0,0,0|2,0,1]=4 3992 B12R0.234 CCCCNCCCCCC(C)C 7a_106832991798_100000210682 [0,1,0,0,0,0|2,0,1]=4 3993 B12R0.234 CCCCNCCCCNC(=O)C 2230a_200011368371_100000210211 [0,1,0,0,0,0|2,0,0]=3 3994 B12R0.234 CCCCNCCCCNC(=O)C 34a_200011368371_100000210210 [0,1,0,0,0,0|2,0,0]=3 3995 B12R0.234 CCCCNCCCCOC(=O)C 7a_106832991798_100000033659 [0,1,0,0,0,0|2,0,0]=3 3996 B12R0.234 CCCCNCCCCO[N+](=O)[O-] 7a_106832991798_100015694321 [0,1,0,0,0,0|2,0,1]=4 3997 B12R0.234 CCCCNCCCCSC(=O)C 2230a_100000102301_200010402107 [0,1,0,0,0,0|2,0,0]=3 3998 B12R0.234 CCCCNCCCCSC(=O)C 7a_106832991798_200010402107 [0,1,0,0,0,0|2,0,0]=3 3999 B12R0.234 CCCCOCCCCCB(O)O 34a_100000210227_200009817188 [0,1,0,0,0,0|1,0,1]=3 4000 B12R0.234 CCCCOCCCCCB(O)O 7a_100000210227_200009817188 [0,1,0,0,0,0|1,0,1]=3 4001 B12R0.234 CCCCOCCCCCC(=O)N 34a_100000123541_100000210210 [0,1,0,0,0,0|1,0,0]=2 4002 B12R0.234 CCCCOCCCCCC(=O)N 34a_100000210227_100009817443 [0,1,0,0,0,0|1,0,0]=2 4003 B12R0.234 CCCCOCCCCCC(=O)N 7a_100000123541_100000210211 [0,1,0,0,0,0|1,0,0]=2 4004 B12R0.234 CCCCOCCCCCC(=O)N 7a_100000210227_100009817443 [0,1,0,0,0,0|1,0,0]=2 4005 B12R0.234 CCCCOCCCCCC(=O)[O-] 7a_100102619762_100000210211 [0,1,0,0,0,0|0,0,1]=2 4006 B12R0.234 CCCCOCCCCCC(C)C 34a_100000210227_100000210682 [0,1,0,0,0,0|2,0,1]=4 4007 B12R0.234 CCCCOCCCCCC(C)C 34a_100011995859_100000210210 [0,1,0,0,0,0|2,0,1]=4 4008 B12R0.234 CCCCOCCCCCC(C)C 7a_100000210227_100000210682 [0,1,0,0,0,0|2,0,1]=4 4009 B12R0.234 CCCCOCCCCCC(C)C 7a_100011995859_100000210211 [0,1,0,0,0,0|2,0,1]=4 4010 B12R0.234 CCCCOCCCCOC(=O)C 34a_100000073216_100000210210 [0,1,0,0,0,0|2,0,0]=3 4011 B12R0.234 CCCCOCCCCOC(=O)C 34a_100000210227_100000033659 [0,1,0,0,0,0|2,0,0]=3 4012 B12R0.234 CCCCOCCCCOC(=O)C 7a_100000073216_100000210211 [0,1,0,0,0,0|2,0,0]=3 4013 B12R0.234 CCCCOCCCCOC(=O)C 7a_100000210227_100000033659 [0,1,0,0,0,0|2,0,0]=3 4014 B12R0.234 CCCCOCCCCO[N+](=O)[O-] 34a_100000210227_100015694321 [0,1,0,0,0,0|2,0,1]=4 4015 B12R0.234 CCCCOCCCCO[N+](=O)[O-] 7a_100000210227_100015694321 [0,1,0,0,0,0|2,0,1]=4 4016 B12R0.234 CCCCOCCCCSC(=O)C 34a_100000210227_200010402107 [0,1,0,0,0,0|2,0,0]=3 4017 B12R0.234 CCCCOCCCCSC(=O)C 7a_100000210227_200010402107 [0,1,0,0,0,0|2,0,0]=3 4018 B12R0.234 CCCCOCCCNCC(=O)N 2230a_200000211371_100000747473 [0,1,0,0,0,0|2,0,0]=3 4019 B12R0.234 CCCCOCCCNCC(=O)N 34a_200000211371_100000187820 [0,1,0,0,0,0|2,0,0]=3 4020 B12R0.234 CCCCOCCCNCC(=O)[O-] 34a_200000211371_100020667443 [0,1,0,0,0,0|1,0,1]=3 4021 B12R0.234 CCCCOCCCNCC(C)O 2230a_200000211371_100011218427 [0,1,0,0,0,0|2,0,1]=4 4022 B12R0.234 CCCCOCCCNCC(C)O 34a_200000211371_100011218427 [0,1,0,0,0,0|2,0,1]=4 4023 B12R0.234 CCCCOCCCNC[C@@H](C)O 2230a_200000211371_100009817552 [0,1,0,0,0,0|2,0,1]=4 4024 B12R0.234 CCCCOCCCNC[C@@H](C)O 34a_200000211371_100009817552 [0,1,0,0,0,0|2,0,1]=4 4025 B12R0.234 CCCCOCCCNC[N+](=O)[O-] 34a_200000211371_100000761209 [0,1,0,0,0,0|2,0,1]=4 4026 B12R0.234 CCCCOCCCOCC(=O)N 34a_200011215613_100000187820 [0,1,0,0,0,0|2,0,0]=3 4027 B12R0.234 CCCCOCCCOCC(=O)N 7a_200011215613_100000187820 [0,1,0,0,0,0|2,0,0]=3 4028 B12R0.234 CCCCOCCCOCC(=O)[O-] 34a_200011215613_100020667443 [0,1,0,0,0,0|1,0,1]=3 4029 B12R0.234 CCCCOCCCOCC(C)O 34a_200011215613_100011218427 [0,1,0,0,0,0|2,0,1]=4 4030 B12R0.234 CCCCOCCCOCC(C)O 7a_200011215613_100011218427 [0,1,0,0,0,0|2,0,1]=4 4031 B12R0.234 CCCCOCCCOC[C@@H](C)O 34a_200011215613_100009817552 [0,1,0,0,0,0|2,0,1]=4 4032 B12R0.234 CCCCOCCCOC[C@@H](C)O 7a_200011215613_100009817552 [0,1,0,0,0,0|2,0,1]=4 4033 B12R0.234 CCCCOCCCOC[N+](=O)[O-] 34a_200011215613_100000761209 [0,1,0,0,0,0|2,0,1]=4 4034 B12R0.234 CCCCOCCNCCC(C)O 2230a_200000755665_100000743108 [0,1,0,0,0,0|2,0,1]=4 4035 B12R0.234 CCCCOCCNOCC(=O)O 269956a_100000106656_100000743108 [0,1,0,0,0,0|2,0,0]=3 4036 B12R0.234 CCCCOCCOCCC(=O)C 34a_100000759926_100000743108 [0,1,0,0,0,0|2,0,0]=3 4037 B12R0.234 CCCCOCCOCCC(=O)C 7a_100000210238_100000053229 [0,1,0,0,0,0|2,0,0]=3 4038 B12R0.234 CCCCOCCOCCC(=O)C 7a_100000759926_100000743108 [0,1,0,0,0,0|2,0,0]=3 4039 B12R0.234 CCCCOCCOCCC(=O)N 34a_100000210238_100000731001 [0,1,0,0,0,0|2,0,0]=3 4040 B12R0.234 CCCCOCCOCCC(=O)N 34a_100000757172_100000743108 [0,1,0,0,0,0|2,0,0]=3 4041 B12R0.234 CCCCOCCOCCC(=O)N 7a_100000210238_100000744528 [0,1,0,0,0,0|2,0,0]=3 4042 B12R0.234 CCCCOCCOCCC(=O)N 7a_100000757172_100000743108 [0,1,0,0,0,0|2,0,0]=3 4043 B12R0.234 CCCCOCCOCCC(C)O 34a_100000210238_100012276601 [0,1,0,0,0,0|2,0,1]=4 4044 B12R0.234 CCCCOCCOCCC(C)O 7a_100000210238_100012276601 [0,1,0,0,0,0|2,0,1]=4 4045 B12R0.234 CCCCOCCOCOC(=O)C 34a_100000210238_100009813279 [0,1,0,0,0,0|3,0,0]=4 4046 B12R0.234 CCCCOCCSCCC(=O)C 62a_100000053229_100000743108 [0,1,0,0,0,0|2,0,0]=3 4047 B12R0.234 CCCCOCCSCCC(=O)C 62a_100000743108_100000053229 [0,1,0,0,0,0|2,0,0]=3 4048 B12R0.234 CCCCOCCSCCC(=O)N 62a_100000743108_100000744528 [0,1,0,0,0,0|2,0,0]=3 4049 B12R0.234 CCCCOCCSCCC(=O)N 62a_100000744528_100000743108 [0,1,0,0,0,0|2,0,0]=3 4050 B12R0.234 CCCCOCCSCCC(C)O 62a_100000743108_100012276601 [0,1,0,0,0,0|2,0,1]=4 4051 B12R0.234 CCCCOCCSCCC(C)O 62a_100012276601_100000743108 [0,1,0,0,0,0|2,0,1]=4 4052 B12R0.234 CCCCOCCSCOC(=O)C 62a_100000076356_100000743108 [0,1,0,0,0,0|3,0,0]=4 4053 B12R0.234 CCCCOCCSCOC(=O)C 62a_100000743108_100000076356 [0,1,0,0,0,0|3,0,0]=4 4054 B12R0.234 CCCCOCNCCCC(=O)N 34a_100000739312_100011995733 [0,1,0,0,0,0|2,0,0]=3 4055 B12R0.234 CCCCOCNCCCS(=O)C 2230a_200000753449_100011995733 [0,1,0,0,0,0|3,0,0]=4 4056 B12R0.234 CCCCOCNCCNC(=O)C 2230a_100000209853_100011995733 [0,1,0,0,0,0|3,0,0]=4 4057 B12R0.234 CCCCOCNCCNC(=O)N 34a_100020590234_100011995733 [0,1,0,0,0,0|3,0,0]=4 4058 B12R0.234 CCCCOCOCCCC(=O)C 34a_100000759063_100011995733 [0,1,0,0,0,0|2,0,0]=3 4059 B12R0.234 CCCCOCOCCC[N+](=O)[O-] 34a_200000037920_100011995733 [0,1,0,0,0,0|2,0,1]=4 4060 B12R0.234 CCCCOCOCCNC(=O)C 34a_100000158858_100011995733 [0,1,0,0,0,0|3,0,0]=4 4061 B12R0.234 CCCCOCOCCNC(=O)N 34a_100000181757_100011995733 [0,1,0,0,0,0|3,0,0]=4 4062 B12R0.234 CCCCOCOCCOC(=O)C 34a_100000210227_100000076355 [0,1,0,0,0,0|3,0,0]=4 4063 B12R0.234 CCCCOCSCCCC(=O)C 62a_100011215641_100011995733 [0,1,0,0,0,0|2,0,0]=3 4064 B12R0.234 CCCCOCSCCCC(=O)C 62a_100011995733_100011215641 [0,1,0,0,0,0|2,0,0]=3 4065 B12R0.234 CCCCOCSCCCC(=O)N 62a_100011995733_100102525003 [0,1,0,0,0,0|2,0,0]=3 4066 B12R0.234 CCCCOCSCCCC(=O)N 62a_100102525003_100011995733 [0,1,0,0,0,0|2,0,0]=3 4067 B12R0.234 CCCCOCSCCCC(C)O 62a_100011995733_200000718107 [0,1,0,0,0,0|2,0,1]=4 4068 B12R0.234 CCCCOCSCCCC(C)O 62a_200000718107_100011995733 [0,1,0,0,0,0|2,0,1]=4 4069 B12R0.234 CCCCOCSCCNC(=O)C 62a_100000189650_100011995733 [0,1,0,0,0,0|3,0,0]=4 4070 B12R0.234 CCCCOCSCCNC(=O)C 62a_100011995733_100000189650 [0,1,0,0,0,0|3,0,0]=4 4071 B12R0.234 CCCCOCSCCNC(=O)N 62a_100011995733_200000034859 [0,1,0,0,0,0|3,0,0]=4 4072 B12R0.234 CCCCOCSCCNC(=O)N 62a_200000034859_100011995733 [0,1,0,0,0,0|3,0,0]=4 4073 B12R0.234 CCCCOCSCCOC(=O)C 62a_100009814007_100011995733 [0,1,0,0,0,0|3,0,0]=4 4074 B12R0.234 CCCCOCSCCOC(=O)C 62a_100011995733_100009814007 [0,1,0,0,0,0|3,0,0]=4 4075 B12R0.234 CCCCOCSCCOC(=O)N 62a_100011995733_200011214921 [0,1,0,0,0,0|3,0,0]=4 4076 B12R0.234 CCCCOCSCCOC(=O)N 62a_200011214921_100011995733 [0,1,0,0,0,0|3,0,0]=4 4077 B12R0.234 CCCCSCCCCCB(O)O 62a_100000210211_200009817188 [0,1,0,0,0,0|1,0,1]=3 4078 B12R0.234 CCCCSCCCCCB(O)O 62a_200009817188_100000210210 [0,1,0,0,0,0|1,0,1]=3 4079 B12R0.234 CCCCSCCCCCC(=O)N 62a_100000210211_100009817443 [0,1,0,0,0,0|1,0,0]=2 4080 B12R0.234 CCCCSCCCCCC(=O)N 62a_100009817443_100000210210 [0,1,0,0,0,0|1,0,0]=2 4081 B12R0.234 CCCCSCCCCCC(C)C 62a_100000210211_100000210682 [0,1,0,0,0,0|2,0,1]=4 4082 B12R0.234 CCCCSCCCCCC(C)C 62a_100000210682_100000210210 [0,1,0,0,0,0|2,0,1]=4 4083 B12R0.234 CCCCSCCCCOC(=O)C 62a_100000033659_100000210210 [0,1,0,0,0,0|2,0,0]=3 4084 B12R0.234 CCCCSCCCCOC(=O)C 62a_100000210211_100000033659 [0,1,0,0,0,0|2,0,0]=3 4085 B12R0.234 CCCCSCCCCO[N+](=O)[O-] 62a_100000210211_100015694321 [0,1,0,0,0,0|2,0,1]=4 4086 B12R0.234 CCCCSCCCCSC(=O)C 62a_100000210211_200010402107 [0,1,0,0,0,0|2,0,0]=3 4087 B12R0.234 CCCCSCCCCSC(=O)C 62a_200010402107_100000210210 [0,1,0,0,0,0|2,0,0]=3 4088 B12R0.234 CCCCSCCNCCC(=O)N 2230a_100025743550_100000744528 [0,1,0,0,0,0|2,0,0]=3 4089 B12R0.234 CCCCSCCNCCC(C)O 2230a_100025743550_100012276601 [0,1,0,0,0,0|2,0,1]=4 4090 B12R0.234 CCCCSCCOCCC(=O)C 7a_200000230436_100000053229 [0,1,0,0,0,0|2,0,0]=3 4091 B12R0.234 CCCCSCCOCCC(=O)N 34a_200000230436_100000731001 [0,1,0,0,0,0|2,0,0]=3 4092 B12R0.234 CCCCSCCOCCC(=O)N 7a_200000230436_100000744528 [0,1,0,0,0,0|2,0,0]=3 4093 B12R0.234 CCCCSCCOCCC(C)O 34a_200000230436_100012276601 [0,1,0,0,0,0|2,0,1]=4 4094 B12R0.234 CCCCSCCOCCC(C)O 7a_200000230436_100012276601 [0,1,0,0,0,0|2,0,1]=4 4095 B12R0.234 CCCCSCCOCOC(=O)C 34a_200000230436_100009813279 [0,1,0,0,0,0|3,0,0]=4 4096 B12R0.234 CCCCSCOCCOC(=O)C 62a_100000076355_100000210210 [0,1,0,0,0,0|3,0,0]=4 4097 B12R0.234 CCCCSCOCCOC(=O)C 62a_100000210211_100000076355 [0,1,0,0,0,0|3,0,0]=4 4098 B12R0.234 CCCNCCCCCCC(C)C 2230a_100000211014_100000210303 [0,1,0,0,0,0|2,0,1]=4 4099 B12R0.234 CCCNCCCCCCC(C)C 34a_100000211014_100000210303 [0,1,0,0,0,0|2,0,1]=4 4100 B12R0.234 CCCNCCCCCNC(=O)C 2230a_200012022750_100000210303 [0,1,0,0,0,0|2,0,0]=3 4101 B12R0.234 CCCNCCCCCNC(=O)C 34a_200012022750_100000210303 [0,1,0,0,0,0|2,0,0]=3 4102 B12R0.234 CCCOCCCCCCB(O)O 34a_100000210258_100009817187 [0,1,0,0,0,0|1,0,1]=3 4103 B12R0.234 CCCOCCCCCOC(=O)C 34a_100000210258_100000033007 [0,1,0,0,0,0|2,0,0]=3 4104 B12R0.234 CCCOCCCNCCC(=O)N 2230a_100011217757_100000744528 [0,1,0,0,0,0|2,0,0]=3 4105 B12R0.234 CCCOCCCNCCC(=O)N 34a_100011217757_100000731001 [0,1,0,0,0,0|2,0,0]=3 4106 B12R0.234 CCCOCCCNCCC(C)O 2230a_100011217757_100012276601 [0,1,0,0,0,0|2,0,1]=4 4107 B12R0.234 CCCOCCCNCCC(C)O 34a_100011217757_100012276601 [0,1,0,0,0,0|2,0,1]=4 4108 B12R0.234 CCCOCCCNCOC(=O)C 34a_100011217757_100009813279 [0,1,0,0,0,0|3,0,0]=4 4109 B12R0.234 CCCOCCNCCCC(=O)C 34a_100161115042_100000685027 [0,1,0,0,0,0|2,0,0]=3 4110 B12R0.234 CCCOCCNCCCC(=O)N 34a_100000739312_100011215938 [0,1,0,0,0,0|2,0,0]=3 4111 B12R0.234 CCCOCCNCCCC(=O)N 34a_100161115042_100102525003 [0,1,0,0,0,0|2,0,0]=3 4112 B12R0.234 CCCOCCNCCCC(C)O 2230a_100161115042_200000718107 [0,1,0,0,0,0|2,0,1]=4 4113 B12R0.234 CCCOCCNCCCC(C)O 34a_100161115042_200000718107 [0,1,0,0,0,0|2,0,1]=4 4114 B12R0.234 CCCOCCNCCCS(=O)C 2230a_200000753449_100011215938 [0,1,0,0,0,0|3,0,0]=4 4115 B12R0.234 CCCOCCNCCNC(=O)C 2230a_100000209853_100011215938 [0,1,0,0,0,0|3,0,0]=4 4116 B12R0.234 CCCOCCNCCNC(=O)C 2230a_100161115042_100000189650 [0,1,0,0,0,0|3,0,0]=4 4117 B12R0.234 CCCOCCNCCNC(=O)N 2230a_100161115042_200000034859 [0,1,0,0,0,0|3,0,0]=4 4118 B12R0.234 CCCOCCNCCNC(=O)N 34a_100020590234_100011215938 [0,1,0,0,0,0|3,0,0]=4 4119 B12R0.234 CCCOCCNCCOC(=O)C 34a_100161115042_100009814007 [0,1,0,0,0,0|3,0,0]=4 4120 B12R0.234 CCCOCCNCCOC(=O)N 34a_100161115042_200011214921 [0,1,0,0,0,0|3,0,0]=4 4121 B12R0.234 CCCOCCOCCCC(=O)C 34a_100000752267_100000685027 [0,1,0,0,0,0|2,0,0]=3 4122 B12R0.234 CCCOCCOCCCC(=O)C 34a_100000759063_100011215938 [0,1,0,0,0,0|2,0,0]=3 4123 B12R0.234 CCCOCCOCCCC(=O)C 7a_100000752267_100011215641 [0,1,0,0,0,0|2,0,0]=3 4124 B12R0.234 CCCOCCOCCCC(=O)C 7a_100000759063_100011215938 [0,1,0,0,0,0|2,0,0]=3 4125 B12R0.234 CCCOCCOCCCC(=O)N 34a_100000752267_100102525003 [0,1,0,0,0,0|2,0,0]=3 4126 B12R0.234 CCCOCCOCCCC(=O)N 7a_100000752267_100102525003 [0,1,0,0,0,0|2,0,0]=3 4127 B12R0.234 CCCOCCOCCCC(C)O 34a_100000752267_200000718107 [0,1,0,0,0,0|2,0,1]=4 4128 B12R0.234 CCCOCCOCCCC(C)O 7a_100000752267_200000718107 [0,1,0,0,0,0|2,0,1]=4 4129 B12R0.234 CCCOCCOCCC[N+](=O)[O-] 34a_200000037920_100011215938 [0,1,0,0,0,0|2,0,1]=4 4130 B12R0.234 CCCOCCOCCNC(=O)C 11a_200011904461_100015343762 [0,1,0,0,0,0|3,0,0]=4 4131 B12R0.234 CCCOCCOCCNC(=O)C 1626a_200011904461_100015343762 [0,1,0,0,0,0|3,0,0]=4 4132 B12R0.234 CCCOCCOCCNC(=O)C 240690a_200011904461_100015343762 [0,1,0,0,0,0|3,0,0]=4 4133 B12R0.234 CCCOCCOCCNC(=O)C 34a_100000158858_100011215938 [0,1,0,0,0,0|3,0,0]=4 4134 B12R0.234 CCCOCCOCCNC(=O)C 7a_100000752267_100000189650 [0,1,0,0,0,0|3,0,0]=4 4135 B12R0.234 CCCOCCOCCNC(=O)N 34a_100000181757_100011215938 [0,1,0,0,0,0|3,0,0]=4 4136 B12R0.234 CCCOCCOCCNC(=O)N 7a_100000752267_200000034859 [0,1,0,0,0,0|3,0,0]=4 4137 B12R0.234 CCCOCCOCCOC(=O)C 34a_100000210258_200000083610 [0,1,0,0,0,0|3,0,0]=4 4138 B12R0.234 CCCOCCOCCOC(=O)C 34a_100000752267_100009814007 [0,1,0,0,0,0|3,0,0]=4 4139 B12R0.234 CCCOCCOCCOC(=O)C 7a_100000752267_100009814007 [0,1,0,0,0,0|3,0,0]=4 4140 B12R0.234 CCCOCCOCCOC(=O)N 34a_100000752267_200011214921 [0,1,0,0,0,0|3,0,0]=4 4141 B12R0.234 CCCOCCOCCOC(=O)N 7a_100000752267_200011214921 [0,1,0,0,0,0|3,0,0]=4 4142 B12R0.234 CCCOCCOCCOC(=O)N 7a_100000766696_100011215938 [0,1,0,0,0,0|3,0,0]=4 4143 B12R0.234 CCCOCCSCCCC(=O)C 62a_100011215641_100011215938 [0,1,0,0,0,0|2,0,0]=3 4144 B12R0.234 CCCOCCSCCCC(=O)C 62a_100011215938_100011215641 [0,1,0,0,0,0|2,0,0]=3 4145 B12R0.234 CCCOCCSCCCC(=O)N 62a_100011215938_100102525003 [0,1,0,0,0,0|2,0,0]=3 4146 B12R0.234 CCCOCCSCCCC(=O)N 62a_100102525003_100011215938 [0,1,0,0,0,0|2,0,0]=3 4147 B12R0.234 CCCOCCSCCCC(C)O 62a_100011215938_200000718107 [0,1,0,0,0,0|2,0,1]=4 4148 B12R0.234 CCCOCCSCCCC(C)O 62a_200000718107_100011215938 [0,1,0,0,0,0|2,0,1]=4 4149 B12R0.234 CCCOCCSCCNC(=O)C 62a_100000189650_100011215938 [0,1,0,0,0,0|3,0,0]=4 4150 B12R0.234 CCCOCCSCCNC(=O)C 62a_100011215938_100000189650 [0,1,0,0,0,0|3,0,0]=4 4151 B12R0.234 CCCOCCSCCNC(=O)N 62a_100011215938_200000034859 [0,1,0,0,0,0|3,0,0]=4 4152 B12R0.234 CCCOCCSCCNC(=O)N 62a_200000034859_100011215938 [0,1,0,0,0,0|3,0,0]=4 4153 B12R0.234 CCCOCCSCCOC(=O)C 62a_100009814007_100011215938 [0,1,0,0,0,0|3,0,0]=4 4154 B12R0.234 CCCOCCSCCOC(=O)C 62a_100011215938_100009814007 [0,1,0,0,0,0|3,0,0]=4 4155 B12R0.234 CCCOCCSCCOC(=O)N 62a_100011215938_200011214921 [0,1,0,0,0,0|3,0,0]=4 4156 B12R0.234 CCCOCCSCCOC(=O)N 62a_200011214921_100011215938 [0,1,0,0,0,0|3,0,0]=4 4157 B12R0.234 CCCSCCCCCCB(O)O 62a_100000210303_100009817187 [0,1,0,0,0,0|1,0,1]=3 4158 B12R0.234 CCCSCCCCCCB(O)O 62a_100009817187_100000210303 [0,1,0,0,0,0|1,0,1]=3 4159 B12R0.234 CCCSCCCCCOC(=O)C 62a_100000033007_100000210303 [0,1,0,0,0,0|2,0,0]=3 4160 B12R0.234 CCCSCCCCCOC(=O)C 62a_100000210303_100000033007 [0,1,0,0,0,0|2,0,0]=3 4161 B12R0.234 CCCSCCNCCCC(C)O 2230a_100020603323_200000718107 [0,1,0,0,0,0|2,0,1]=4 4162 B12R0.234 CCCSCCNCCNC(=O)C 2230a_100020603323_100000189650 [0,1,0,0,0,0|3,0,0]=4 4163 B12R0.234 CCCSCCNCCNC(=O)N 2230a_100020603323_200000034859 [0,1,0,0,0,0|3,0,0]=4 4164 B12R0.234 CCCSCCOCCCC(=O)C 34a_200000230433_100000685027 [0,1,0,0,0,0|2,0,0]=3 4165 B12R0.234 CCCSCCOCCCC(=O)C 7a_200000230433_100011215641 [0,1,0,0,0,0|2,0,0]=3 4166 B12R0.234 CCCSCCOCCCC(=O)N 34a_200000230433_100102525003 [0,1,0,0,0,0|2,0,0]=3 4167 B12R0.234 CCCSCCOCCCC(=O)N 7a_200000230433_100102525003 [0,1,0,0,0,0|2,0,0]=3 4168 B12R0.234 CCCSCCOCCCC(C)O 34a_200000230433_200000718107 [0,1,0,0,0,0|2,0,1]=4 4169 B12R0.234 CCCSCCOCCCC(C)O 7a_200000230433_200000718107 [0,1,0,0,0,0|2,0,1]=4 4170 B12R0.234 CCCSCCOCCNC(=O)C 7a_200000230433_100000189650 [0,1,0,0,0,0|3,0,0]=4 4171 B12R0.234 CCCSCCOCCNC(=O)N 7a_200000230433_200000034859 [0,1,0,0,0,0|3,0,0]=4 4172 B12R0.234 CCCSCCOCCOC(=O)C 34a_200000230433_100009814007 [0,1,0,0,0,0|3,0,0]=4 4173 B12R0.234 CCCSCCOCCOC(=O)C 62a_100000210303_200000083610 [0,1,0,0,0,0|3,0,0]=4 4174 B12R0.234 CCCSCCOCCOC(=O)C 62a_200000083610_100000210303 [0,1,0,0,0,0|3,0,0]=4 4175 B12R0.234 CCCSCCOCCOC(=O)C 7a_200000230433_100009814007 [0,1,0,0,0,0|3,0,0]=4 4176 B12R0.234 CCCSCCOCCOC(=O)N 34a_200000230433_200011214921 [0,1,0,0,0,0|3,0,0]=4 4177 B12R0.234 CCCSCCOCCOC(=O)N 7a_200000230433_200011214921 [0,1,0,0,0,0|3,0,0]=4 4178 B12R0.234 CCNCCCCCCNC(=O)C 2230a_200011996284_100000210202 [0,1,0,0,0,0|2,0,0]=3 4179 B12R0.234 CCNCCCCCCNC(=O)C 34a_200011996284_100000210202 [0,1,0,0,0,0|2,0,0]=3 4180 B12R0.234 CCNCCOCCOCC(=O)O 269956a_100009854275_100000210202 [0,1,0,0,0,0|2,0,0]=3 4181 B12R0.234 CCOCCCCCCCC(C)C 34a_200000210741_100000210202 [0,1,0,0,0,0|2,0,1]=4 4182 B12R0.234 CCOCCCCCCCC(C)C 7a_200000210741_100000210202 [0,1,0,0,0,0|2,0,1]=4 4183 B12R0.234 CCOCCCNCCCC(=O)C 34a_100000210961_100000685027 [0,1,0,0,0,0|2,0,0]=3 4184 B12R0.234 CCOCCCNCCCC(=O)N 34a_100000210961_100102525003 [0,1,0,0,0,0|2,0,0]=3 4185 B12R0.234 CCOCCCNCCCC(=O)N 34a_100000739312_100012232248 [0,1,0,0,0,0|2,0,0]=3 4186 B12R0.234 CCOCCCNCCCC(C)O 2230a_100000210961_200000718107 [0,1,0,0,0,0|2,0,1]=4 4187 B12R0.234 CCOCCCNCCCC(C)O 34a_100000210961_200000718107 [0,1,0,0,0,0|2,0,1]=4 4188 B12R0.234 CCOCCCNCCCS(=O)C 2230a_200000753449_100012232248 [0,1,0,0,0,0|3,0,0]=4 4189 B12R0.234 CCOCCCNCCNC(=O)C 2230a_100000209853_100012232248 [0,1,0,0,0,0|3,0,0]=4 4190 B12R0.234 CCOCCCNCCNC(=O)C 2230a_100000210961_100000189650 [0,1,0,0,0,0|3,0,0]=4 4191 B12R0.234 CCOCCCNCCNC(=O)N 2230a_100000210961_200000034859 [0,1,0,0,0,0|3,0,0]=4 4192 B12R0.234 CCOCCCNCCNC(=O)N 34a_100020590234_100012232248 [0,1,0,0,0,0|3,0,0]=4 4193 B12R0.234 CCOCCCNCCOC(=O)C 34a_100000210961_100009814007 [0,1,0,0,0,0|3,0,0]=4 4194 B12R0.234 CCOCCCNCCOC(=O)N 34a_100000210961_200011214921 [0,1,0,0,0,0|3,0,0]=4 4195 B12R0.234 CCOCCCOCCCC(=O)C 34a_100000757476_100000685027 [0,1,0,0,0,0|2,0,0]=3 4196 B12R0.234 CCOCCCOCCCC(=O)C 34a_100000759063_100012232248 [0,1,0,0,0,0|2,0,0]=3 4197 B12R0.234 CCOCCCOCCCC(=O)C 7a_100000757476_100011215641 [0,1,0,0,0,0|2,0,0]=3 4198 B12R0.234 CCOCCCOCCCC(=O)C 7a_100000759063_100012232248 [0,1,0,0,0,0|2,0,0]=3 4199 B12R0.234 CCOCCCOCCCC(=O)N 34a_100000757476_100102525003 [0,1,0,0,0,0|2,0,0]=3 4200 B12R0.234 CCOCCCOCCCC(=O)N 7a_100000757476_100102525003 [0,1,0,0,0,0|2,0,0]=3 4201 B12R0.234 CCOCCCOCCCC(C)O 34a_100000757476_200000718107 [0,1,0,0,0,0|2,0,1]=4 4202 B12R0.234 CCOCCCOCCCC(C)O 7a_100000757476_200000718107 [0,1,0,0,0,0|2,0,1]=4 4203 B12R0.234 CCOCCCOCCC[N+](=O)[O-] 34a_200000037920_100012232248 [0,1,0,0,0,0|2,0,1]=4 4204 B12R0.234 CCOCCCOCCNC(=O)C 34a_100000158858_100012232248 [0,1,0,0,0,0|3,0,0]=4 4205 B12R0.234 CCOCCCOCCNC(=O)C 7a_100000757476_100000189650 [0,1,0,0,0,0|3,0,0]=4 4206 B12R0.234 CCOCCCOCCNC(=O)N 34a_100000181757_100012232248 [0,1,0,0,0,0|3,0,0]=4 4207 B12R0.234 CCOCCCOCCNC(=O)N 7a_100000757476_200000034859 [0,1,0,0,0,0|3,0,0]=4 4208 B12R0.234 CCOCCCOCCOC(=O)C 34a_100000757476_100009814007 [0,1,0,0,0,0|3,0,0]=4 4209 B12R0.234 CCOCCCOCCOC(=O)C 7a_100000757476_100009814007 [0,1,0,0,0,0|3,0,0]=4 4210 B12R0.234 CCOCCCOCCOC(=O)N 34a_100000757476_200011214921 [0,1,0,0,0,0|3,0,0]=4 4211 B12R0.234 CCOCCCOCCOC(=O)N 7a_100000757476_200011214921 [0,1,0,0,0,0|3,0,0]=4 4212 B12R0.234 CCOCCCOCCOC(=O)N 7a_100000766696_100012232248 [0,1,0,0,0,0|3,0,0]=4 4213 B12R0.234 CCOCCCSCCCC(=O)C 62a_100011215641_100012232248 [0,1,0,0,0,0|2,0,0]=3 4214 B12R0.234 CCOCCCSCCCC(=O)C 62a_100012232248_100011215641 [0,1,0,0,0,0|2,0,0]=3 4215 B12R0.234 CCOCCCSCCCC(=O)N 62a_100012232248_100102525003 [0,1,0,0,0,0|2,0,0]=3 4216 B12R0.234 CCOCCCSCCCC(=O)N 62a_100102525003_100012232248 [0,1,0,0,0,0|2,0,0]=3 4217 B12R0.234 CCOCCCSCCCC(C)O 62a_100012232248_200000718107 [0,1,0,0,0,0|2,0,1]=4 4218 B12R0.234 CCOCCCSCCCC(C)O 62a_200000718107_100012232248 [0,1,0,0,0,0|2,0,1]=4 4219 B12R0.234 CCOCCCSCCNC(=O)C 62a_100000189650_100012232248 [0,1,0,0,0,0|3,0,0]=4 4220 B12R0.234 CCOCCCSCCNC(=O)C 62a_100012232248_100000189650 [0,1,0,0,0,0|3,0,0]=4 4221 B12R0.234 CCOCCCSCCNC(=O)N 62a_100012232248_200000034859 [0,1,0,0,0,0|3,0,0]=4 4222 B12R0.234 CCOCCCSCCNC(=O)N 62a_200000034859_100012232248 [0,1,0,0,0,0|3,0,0]=4 4223 B12R0.234 CCOCCCSCCOC(=O)C 62a_100009814007_100012232248 [0,1,0,0,0,0|3,0,0]=4 4224 B12R0.234 CCOCCCSCCOC(=O)C 62a_100012232248_100009814007 [0,1,0,0,0,0|3,0,0]=4 4225 B12R0.234 CCOCCCSCCOC(=O)N 62a_100012232248_200011214921 [0,1,0,0,0,0|3,0,0]=4 4226 B12R0.234 CCOCCCSCCOC(=O)N 62a_200011214921_100012232248 [0,1,0,0,0,0|3,0,0]=4 4227 B12R0.234 CCOCCNCCCCB(O)O 2230a_102516460346_200009817182 [0,1,0,0,0,0|2,0,1]=4 4228 B12R0.234 CCOCCNCCCCB(O)O 34a_102516460346_200009817182 [0,1,0,0,0,0|2,0,1]=4 4229 B12R0.234 CCOCCNCCCCC(=O)C 34a_102516460346_100009817362 [0,1,0,0,0,0|2,0,0]=3 4230 B12R0.234 CCOCCNCCCCC(=O)N 34a_100000696515_100000210147 [0,1,0,0,0,0|2,0,0]=3 4231 B12R0.234 CCOCCNCCCNC(=O)C 34a_100000736810_100000210147 [0,1,0,0,0,0|3,0,0]=4 4232 B12R0.234 CCOCCNCCCOC(=O)C 34a_102516460346_100000042594 [0,1,0,0,0,0|3,0,0]=4 4233 B12R0.234 CCOCCNCCCSC(=O)C 2230a_102516460346_100000038929 [0,1,0,0,0,0|3,0,0]=4 4234 B12R0.234 CCOCCNCCCSC(=O)C 34a_102516460346_100000038929 [0,1,0,0,0,0|3,0,0]=4 4235 B12R0.234 CCOCCNCCOCC(=O)N 2230a_102516460346_100000076697 [0,1,0,0,0,0|3,0,0]=4 4236 B12R0.234 CCOCCNCCOCC(=O)N 34a_102516460346_100000076697 [0,1,0,0,0,0|3,0,0]=4 4237 B12R0.234 CCOCCNCCOCC(=O)O 269956a_100000700818_100000210147 [0,1,0,0,0,0|2,0,0]=3 4238 B12R0.234 CCOCCOCCCCB(O)O 34a_100000210136_200009817182 [0,1,0,0,0,0|2,0,1]=4 4239 B12R0.234 CCOCCOCCCCB(O)O 7a_100000210136_200009817182 [0,1,0,0,0,0|2,0,1]=4 4240 B12R0.234 CCOCCOCCCCC(=O)C 34a_100000210136_100009817362 [0,1,0,0,0,0|2,0,0]=3 4241 B12R0.234 CCOCCOCCCCC(=O)C 7a_100000210136_100000735457 [0,1,0,0,0,0|2,0,0]=3 4242 B12R0.234 CCOCCOCCCCC(=O)N 34a_100012022536_100000210147 [0,1,0,0,0,0|2,0,0]=3 4243 B12R0.234 CCOCCOCCCCC(=O)N 7a_100012022536_100011215890 [0,1,0,0,0,0|2,0,0]=3 4244 B12R0.234 CCOCCOCCCC[N+](=O)[O-] 34a_200015379883_100000210147 [0,1,0,0,0,0|2,0,1]=4 4245 B12R0.234 CCOCCOCCCC[N+](=O)[O-] 7a_200015379883_100011215890 [0,1,0,0,0,0|2,0,1]=4 4246 B12R0.234 CCOCCOCCCNC(=O)C 34a_100000752032_100000210147 [0,1,0,0,0,0|3,0,0]=4 4247 B12R0.234 CCOCCOCCCOC(=O)C 34a_100000210136_100000042594 [0,1,0,0,0,0|3,0,0]=4 4248 B12R0.234 CCOCCOCCCOC(=O)C 7a_100000210136_100000042594 [0,1,0,0,0,0|3,0,0]=4 4249 B12R0.234 CCOCCOCCCSC(=O)C 34a_100000210136_100000038929 [0,1,0,0,0,0|3,0,0]=4 4250 B12R0.234 CCOCCOCCCSC(=O)C 7a_100000210136_100000038929 [0,1,0,0,0,0|3,0,0]=4 4251 B12R0.234 CCOCCOCCNCC(=O)N 2230a_100000711301_100011211534 [0,1,0,0,0,0|3,0,0]=4 4252 B12R0.234 CCOCCOCCNCC(=O)N 2230a_100102712874_100000747473 [0,1,0,0,0,0|3,0,0]=4 4253 B12R0.234 CCOCCOCCNCC(=O)N 34a_100102712874_100000187820 [0,1,0,0,0,0|3,0,0]=4 4254 B12R0.234 CCOCCOCCNCC(=O)O 269956a_100016091260_100011211534 [0,1,0,0,0,0|2,0,0]=3 4255 B12R0.234 CCOCCOCCNCC(=O)[O-] 34a_100102712874_100020667443 [0,1,0,0,0,0|2,0,1]=4 4256 B12R0.234 CCOCCOCCOCC(=O)C 34a_100000211253_100011211534 [0,1,0,0,0,0|3,0,0]=4 4257 B12R0.234 CCOCCOCCOCC(=O)N 34a_100000210136_100000076697 [0,1,0,0,0,0|3,0,0]=4 4258 B12R0.234 CCOCCOCCOCC(=O)N 34a_100000210240_100000187820 [0,1,0,0,0,0|3,0,0]=4 4259 B12R0.234 CCOCCOCCOCC(=O)N 7a_100000210136_100000076697 [0,1,0,0,0,0|3,0,0]=4 4260 B12R0.234 CCOCCOCCOCC(=O)N 7a_100000210240_100000187820 [0,1,0,0,0,0|3,0,0]=4 4261 B12R0.234 CCOCCOCCOCC(=O)[O-] 34a_100000210240_100020667443 [0,1,0,0,0,0|2,0,1]=4 4262 B12R0.234 CCOCCOCCSCC(=O)N 62a_100000747473_100011211534 [0,1,0,0,0,0|3,0,0]=4 4263 B12R0.234 CCOCCOCCSCC(=O)N 62a_100011211534_100000747473 [0,1,0,0,0,0|3,0,0]=4 4264 B12R0.234 CCOCCOCCSCC(=O)[O-] 62a_100011211534_100020667443 [0,1,0,0,0,0|2,0,1]=4 4265 B12R0.234 CCOCCOCCSCC(=O)[O-] 62a_100020667443_100011211534 [0,1,0,0,0,0|2,0,1]=4 4266 B12R0.234 CCOCCSCCCCB(O)O 62a_100000210147_200009817182 [0,1,0,0,0,0|2,0,1]=4 4267 B12R0.234 CCOCCSCCCCB(O)O 62a_200009817182_100011215890 [0,1,0,0,0,0|2,0,1]=4 4268 B12R0.234 CCOCCSCCCCC(=O)C 62a_100000210147_100000735457 [0,1,0,0,0,0|2,0,0]=3 4269 B12R0.234 CCOCCSCCCCC(=O)C 62a_100000735457_100011215890 [0,1,0,0,0,0|2,0,0]=3 4270 B12R0.234 CCOCCSCCCOC(=O)C 62a_100000042594_100011215890 [0,1,0,0,0,0|3,0,0]=4 4271 B12R0.234 CCOCCSCCCOC(=O)C 62a_100000210147_100000042594 [0,1,0,0,0,0|3,0,0]=4 4272 B12R0.234 CCOCCSCCCSC(=O)C 62a_100000038929_100011215890 [0,1,0,0,0,0|3,0,0]=4 4273 B12R0.234 CCOCCSCCCSC(=O)C 62a_100000210147_100000038929 [0,1,0,0,0,0|3,0,0]=4 4274 B12R0.234 CCOCCSCCOCC(=O)N 62a_100000076697_100011215890 [0,1,0,0,0,0|3,0,0]=4 4275 B12R0.234 CCOCCSCCOCC(=O)N 62a_100000210147_100000076697 [0,1,0,0,0,0|3,0,0]=4 4276 B12R0.234 CCOCSCCCCCB(O)O 62a_100000739092_200009817188 [0,1,0,0,0,0|2,0,1]=4 4277 B12R0.234 CCOCSCCCCCB(O)O 62a_200009817188_100000739092 [0,1,0,0,0,0|2,0,1]=4 4278 B12R0.234 CCOCSCCCCCC(=O)N 62a_100000739092_100009817443 [0,1,0,0,0,0|2,0,0]=3 4279 B12R0.234 CCOCSCCCCCC(=O)N 62a_100009817443_100000739092 [0,1,0,0,0,0|2,0,0]=3 4280 B12R0.234 CCOCSCCCCOC(=O)C 62a_100000033659_100000739092 [0,1,0,0,0,0|3,0,0]=4 4281 B12R0.234 CCOCSCCCCOC(=O)C 62a_100000739092_100000033659 [0,1,0,0,0,0|3,0,0]=4 4282 B12R0.234 CCOCSCCCCSC(=O)C 62a_100000739092_200010402107 [0,1,0,0,0,0|3,0,0]=4 4283 B12R0.234 CCOCSCCCCSC(=O)C 62a_200010402107_100000739092 [0,1,0,0,0,0|3,0,0]=4 4284 B12R0.234 CCSCCCOCCCC(=O)C 34a_100011216438_100000685027 [0,1,0,0,0,0|2,0,0]=3 4285 B12R0.234 CCSCCCOCCCC(=O)C 7a_100011216438_100011215641 [0,1,0,0,0,0|2,0,0]=3 4286 B12R0.234 CCSCCCOCCCC(=O)N 34a_100011216438_100102525003 [0,1,0,0,0,0|2,0,0]=3 4287 B12R0.234 CCSCCCOCCCC(=O)N 7a_100011216438_100102525003 [0,1,0,0,0,0|2,0,0]=3 4288 B12R0.234 CCSCCCOCCCC(C)O 34a_100011216438_200000718107 [0,1,0,0,0,0|2,0,1]=4 4289 B12R0.234 CCSCCCOCCCC(C)O 7a_100011216438_200000718107 [0,1,0,0,0,0|2,0,1]=4 4290 B12R0.234 CCSCCCOCCNC(=O)C 7a_100011216438_100000189650 [0,1,0,0,0,0|3,0,0]=4 4291 B12R0.234 CCSCCCOCCNC(=O)N 7a_100011216438_200000034859 [0,1,0,0,0,0|3,0,0]=4 4292 B12R0.234 CCSCCCOCCOC(=O)C 34a_100011216438_100009814007 [0,1,0,0,0,0|3,0,0]=4 4293 B12R0.234 CCSCCCOCCOC(=O)C 7a_100011216438_100009814007 [0,1,0,0,0,0|3,0,0]=4 4294 B12R0.234 CCSCCCOCCOC(=O)N 34a_100011216438_200011214921 [0,1,0,0,0,0|3,0,0]=4 4295 B12R0.234 CCSCCCOCCOC(=O)N 7a_100011216438_200011214921 [0,1,0,0,0,0|3,0,0]=4 4296 B12R0.234 CCSCCNCCCCB(O)O 2230a_100000106463_200009817182 [0,1,0,0,0,0|2,0,1]=4 4297 B12R0.234 CCSCCNCCCCC(=O)N 34a_100000696515_100000757381 [0,1,0,0,0,0|2,0,0]=3 4298 B12R0.234 CCSCCNCCCNC(=O)C 34a_100000736810_100000757381 [0,1,0,0,0,0|3,0,0]=4 4299 B12R0.234 CCSCCNCCCSC(=O)C 2230a_100000106463_100000038929 [0,1,0,0,0,0|3,0,0]=4 4300 B12R0.234 CCSCCNCCOCC(=O)N 2230a_100000106463_100000076697 [0,1,0,0,0,0|3,0,0]=4 4301 B12R0.234 CCSCCNCCOCC(=O)O 269956a_100000700818_100000757381 [0,1,0,0,0,0|2,0,0]=3 4302 B12R0.234 CCSCCOCCCCB(O)O 34a_100000212035_200009817182 [0,1,0,0,0,0|2,0,1]=4 4303 B12R0.234 CCSCCOCCCCB(O)O 7a_100000212035_200009817182 [0,1,0,0,0,0|2,0,1]=4 4304 B12R0.234 CCSCCOCCCCC(=O)C 34a_100000212035_100009817362 [0,1,0,0,0,0|2,0,0]=3 4305 B12R0.234 CCSCCOCCCCC(=O)C 7a_100000212035_100000735457 [0,1,0,0,0,0|2,0,0]=3 4306 B12R0.234 CCSCCOCCCCC(=O)N 34a_100012022536_100000757381 [0,1,0,0,0,0|2,0,0]=3 4307 B12R0.234 CCSCCOCCCCC(=O)N 7a_100012022536_100000757381 [0,1,0,0,0,0|2,0,0]=3 4308 B12R0.234 CCSCCOCCCC[N+](=O)[O-] 34a_200015379883_100000757381 [0,1,0,0,0,0|2,0,1]=4 4309 B12R0.234 CCSCCOCCCC[N+](=O)[O-] 7a_200015379883_100000757381 [0,1,0,0,0,0|2,0,1]=4 4310 B12R0.234 CCSCCOCCCNC(=O)C 34a_100000752032_100000757381 [0,1,0,0,0,0|3,0,0]=4 4311 B12R0.234 CCSCCOCCCOC(=O)C 34a_100000212035_100000042594 [0,1,0,0,0,0|3,0,0]=4 4312 B12R0.234 CCSCCOCCCOC(=O)C 7a_100000212035_100000042594 [0,1,0,0,0,0|3,0,0]=4 4313 B12R0.234 CCSCCOCCCSC(=O)C 34a_100000212035_100000038929 [0,1,0,0,0,0|3,0,0]=4 4314 B12R0.234 CCSCCOCCCSC(=O)C 7a_100000212035_100000038929 [0,1,0,0,0,0|3,0,0]=4 4315 B12R0.234 CCSCCOCCOCC(=O)N 34a_100000212035_100000076697 [0,1,0,0,0,0|3,0,0]=4 4316 B12R0.234 CCSCCOCCOCC(=O)N 7a_100000212035_100000076697 [0,1,0,0,0,0|3,0,0]=4 4317 B12R0.234 CCSCCSCCCCB(O)O 62a_100000757381_200009817182 [0,1,0,0,0,0|2,0,1]=4 4318 B12R0.234 CCSCCSCCCCB(O)O 62a_200009817182_100000757381 [0,1,0,0,0,0|2,0,1]=4 4319 B12R0.234 CCSCCSCCCCC(=O)C 62a_100000735457_100000757381 [0,1,0,0,0,0|2,0,0]=3 4320 B12R0.234 CCSCCSCCCCC(=O)C 62a_100000757381_100000735457 [0,1,0,0,0,0|2,0,0]=3 4321 B12R0.234 CCSCCSCCCOC(=O)C 62a_100000042594_100000757381 [0,1,0,0,0,0|3,0,0]=4 4322 B12R0.234 CCSCCSCCCOC(=O)C 62a_100000757381_100000042594 [0,1,0,0,0,0|3,0,0]=4 4323 B12R0.234 CCSCCSCCCSC(=O)C 62a_100000038929_100000757381 [0,1,0,0,0,0|3,0,0]=4 4324 B12R0.234 CCSCCSCCCSC(=O)C 62a_100000757381_100000038929 [0,1,0,0,0,0|3,0,0]=4 4325 B12R0.234 CCSCCSCCOCC(=O)N 62a_100000076697_100000757381 [0,1,0,0,0,0|3,0,0]=4 4326 B12R0.234 CCSCCSCCOCC(=O)N 62a_100000757381_100000076697 [0,1,0,0,0,0|3,0,0]=4 4327 B12R0.234 CN(C)CCCCCCCCCO 2230a_100102631434_100009813782 [0,1,0,0,0,0|3,0,0]=4 4328 B12R0.234 CN(C)CCCCCCCCCO 269982a_100102631434_100009813782 [0,1,0,0,0,0|3,0,0]=4 4329 B12R0.234 CNCCCCCOCCC(=O)N 34a_100000722520_100000731001 [0,1,0,0,0,0|2,0,0]=3 4330 B12R0.234 CNCCCCCOCCC(C)O 34a_100000722520_100012276601 [0,1,0,0,0,0|2,0,1]=4 4331 B12R0.234 CNCCCCCOCOC(=O)C 34a_100000722520_100009813279 [0,1,0,0,0,0|3,0,0]=4 4332 B12R0.234 CNCCCOCCCCB(O)O 34a_100000213112_200009817182 [0,1,0,0,0,0|2,0,1]=4 4333 B12R0.234 CNCCCOCCCCC(=O)C 34a_100000213112_100009817362 [0,1,0,0,0,0|2,0,0]=3 4334 B12R0.234 CNCCCOCCCOC(=O)C 34a_100000213112_100000042594 [0,1,0,0,0,0|3,0,0]=4 4335 B12R0.234 CNCCCOCCCSC(=O)C 34a_100000213112_100000038929 [0,1,0,0,0,0|3,0,0]=4 4336 B12R0.234 CNCCCOCCOCC(=O)N 34a_100000213112_100000076697 [0,1,0,0,0,0|3,0,0]=4 4337 B12R0.234 CNCCOCCOCCC(=O)N 34a_100000228057_100000731001 [0,1,0,0,0,0|3,0,0]=4 4338 B12R0.234 COCCCCCCNCC(=O)N 2230a_100000711301_100011998445 [0,1,0,0,0,0|2,0,0]=3 4339 B12R0.234 COCCCCCCNCC(=O)O 269956a_100016091260_100011998445 [0,1,0,0,0,0|1,0,0]=2 4340 B12R0.234 COCCCCCCNCC(C)O 2230a_100000210904_100011998445 [0,1,0,0,0,0|2,0,1]=4 4341 B12R0.234 COCCCCCCNCC(C)O 34a_100000210904_100011998445 [0,1,0,0,0,0|2,0,1]=4 4342 B12R0.234 COCCCCCCOCC(=O)C 34a_100000211253_100011998445 [0,1,0,0,0,0|2,0,0]=3 4343 B12R0.234 COCCCCCCOCC(=O)N 34a_200012092642_100000187820 [0,1,0,0,0,0|2,0,0]=3 4344 B12R0.234 COCCCCCCOCC(=O)N 7a_200012092642_100000187820 [0,1,0,0,0,0|2,0,0]=3 4345 B12R0.234 COCCCCCCOCC(=O)[O-] 34a_200012092642_100020667443 [0,1,0,0,0,0|1,0,1]=3 4346 B12R0.234 COCCCCCCOCC(C)O 34a_200012092642_100011218427 [0,1,0,0,0,0|2,0,1]=4 4347 B12R0.234 COCCCCCCOCC(C)O 7a_200012092642_100011218427 [0,1,0,0,0,0|2,0,1]=4 4348 B12R0.234 COCCCCCCOC[C@@H](C)O 34a_200012092642_100009817552 [0,1,0,0,0,0|2,0,1]=4 4349 B12R0.234 COCCCCCCOC[C@@H](C)O 7a_200012092642_100009817552 [0,1,0,0,0,0|2,0,1]=4 4350 B12R0.234 COCCCCCCOC[N+](=O)[O-] 34a_200012092642_100000761209 [0,1,0,0,0,0|2,0,1]=4 4351 B12R0.234 COCCCCCCSCC(=O)N 62a_100000747473_100011998445 [0,1,0,0,0,0|2,0,0]=3 4352 B12R0.234 COCCCCCCSCC(=O)N 62a_100011998445_100000747473 [0,1,0,0,0,0|2,0,0]=3 4353 B12R0.234 COCCCCCCSCC(=O)[O-] 62a_100011998445_100020667443 [0,1,0,0,0,0|1,0,1]=3 4354 B12R0.234 COCCCCCCSCC(=O)[O-] 62a_100020667443_100011998445 [0,1,0,0,0,0|1,0,1]=3 4355 B12R0.234 COCCCCCCSCC(C)O 62a_100011218427_100011998445 [0,1,0,0,0,0|2,0,1]=4 4356 B12R0.234 COCCCCCCSCC(C)O 62a_100011998445_100011218427 [0,1,0,0,0,0|2,0,1]=4 4357 B12R0.234 COCCCCCCSC[C@@H](C)O 62a_100009817552_100011998445 [0,1,0,0,0,0|2,0,1]=4 4358 B12R0.234 COCCCCCCSC[C@@H](C)O 62a_100011998445_100009817552 [0,1,0,0,0,0|2,0,1]=4 4359 B12R0.234 COCCCCCCSC[N+](=O)[O-] 62a_100011998445_100000761209 [0,1,0,0,0,0|2,0,1]=4 4360 B12R0.234 COCCCCCNCCC(=O)N 2230a_100000747528_100000744528 [0,1,0,0,0,0|2,0,0]=3 4361 B12R0.234 COCCCCCNCCC(=O)N 34a_100000747528_100000731001 [0,1,0,0,0,0|2,0,0]=3 4362 B12R0.234 COCCCCCNCCC(C)O 2230a_100000747528_100012276601 [0,1,0,0,0,0|2,0,1]=4 4363 B12R0.234 COCCCCCNCCC(C)O 34a_100000747528_100012276601 [0,1,0,0,0,0|2,0,1]=4 4364 B12R0.234 COCCCCCNCOC(=O)C 34a_100000747528_100009813279 [0,1,0,0,0,0|3,0,0]=4 4365 B12R0.234 COCCCCNCCCC(=O)N 34a_100000739312_100000755781 [0,1,0,0,0,0|2,0,0]=3 4366 B12R0.234 COCCCCNCCCS(=O)C 2230a_200000753449_100000730899 [0,1,0,0,0,0|3,0,0]=4 4367 B12R0.234 COCCCCNCCNC(=O)C 2230a_100000209853_100000730899 [0,1,0,0,0,0|3,0,0]=4 4368 B12R0.234 COCCCCNCCNC(=O)N 34a_100020590234_100000755781 [0,1,0,0,0,0|3,0,0]=4 4369 B12R0.234 COCCCCOCCCC(=O)C 34a_100000740925_100000685027 [0,1,0,0,0,0|2,0,0]=3 4370 B12R0.234 COCCCCOCCCC(=O)C 34a_100000759063_100000755781 [0,1,0,0,0,0|2,0,0]=3 4371 B12R0.234 COCCCCOCCCC(=O)C 7a_100000759063_100000730899 [0,1,0,0,0,0|2,0,0]=3 4372 B12R0.234 COCCCCOCCCC(=O)N 34a_100000740925_100102525003 [0,1,0,0,0,0|2,0,0]=3 4373 B12R0.234 COCCCCOCCCC(C)O 34a_100000740925_200000718107 [0,1,0,0,0,0|2,0,1]=4 4374 B12R0.234 COCCCCOCCC[N+](=O)[O-] 34a_200000037920_100000755781 [0,1,0,0,0,0|2,0,1]=4 4375 B12R0.234 COCCCCOCCNC(=O)C 34a_100000158858_100000755781 [0,1,0,0,0,0|3,0,0]=4 4376 B12R0.234 COCCCCOCCNC(=O)N 34a_100000181757_100000755781 [0,1,0,0,0,0|3,0,0]=4 4377 B12R0.234 COCCCCOCCOC(=O)C 34a_100000740925_100009814007 [0,1,0,0,0,0|3,0,0]=4 4378 B12R0.234 COCCCCOCCOC(=O)N 34a_100000740925_200011214921 [0,1,0,0,0,0|3,0,0]=4 4379 B12R0.234 COCCCCOCCOC(=O)N 7a_100000766696_100000730899 [0,1,0,0,0,0|3,0,0]=4 4380 B12R0.234 COCCCCSCCCC(=O)C 62a_100000730899_100011215641 [0,1,0,0,0,0|2,0,0]=3 4381 B12R0.234 COCCCCSCCCC(=O)C 62a_100011215641_100000730899 [0,1,0,0,0,0|2,0,0]=3 4382 B12R0.234 COCCCCSCCCC(=O)N 62a_100000730899_100102525003 [0,1,0,0,0,0|2,0,0]=3 4383 B12R0.234 COCCCCSCCCC(=O)N 62a_100102525003_100000730899 [0,1,0,0,0,0|2,0,0]=3 4384 B12R0.234 COCCCCSCCCC(C)O 62a_100000730899_200000718107 [0,1,0,0,0,0|2,0,1]=4 4385 B12R0.234 COCCCCSCCCC(C)O 62a_200000718107_100000730899 [0,1,0,0,0,0|2,0,1]=4 4386 B12R0.234 COCCCCSCCNC(=O)C 62a_100000189650_100000730899 [0,1,0,0,0,0|3,0,0]=4 4387 B12R0.234 COCCCCSCCNC(=O)C 62a_100000730899_100000189650 [0,1,0,0,0,0|3,0,0]=4 4388 B12R0.234 COCCCCSCCNC(=O)N 62a_100000730899_200000034859 [0,1,0,0,0,0|3,0,0]=4 4389 B12R0.234 COCCCCSCCNC(=O)N 62a_200000034859_100000730899 [0,1,0,0,0,0|3,0,0]=4 4390 B12R0.234 COCCCCSCCOC(=O)C 62a_100000730899_100009814007 [0,1,0,0,0,0|3,0,0]=4 4391 B12R0.234 COCCCCSCCOC(=O)C 62a_100009814007_100000730899 [0,1,0,0,0,0|3,0,0]=4 4392 B12R0.234 COCCCCSCCOC(=O)N 62a_100000730899_200011214921 [0,1,0,0,0,0|3,0,0]=4 4393 B12R0.234 COCCCCSCCOC(=O)N 62a_200011214921_100000730899 [0,1,0,0,0,0|3,0,0]=4 4394 B12R0.234 COCCCNCCCCB(O)O 34a_100150723488_200009817182 [0,1,0,0,0,0|2,0,1]=4 4395 B12R0.234 COCCCNCCCCC(=O)C 34a_100150723488_100009817362 [0,1,0,0,0,0|2,0,0]=3 4396 B12R0.234 COCCCNCCCCC(=O)N 34a_100000696515_100000740836 [0,1,0,0,0,0|2,0,0]=3 4397 B12R0.234 COCCCNCCCNC(=O)C 34a_100000736810_100000740836 [0,1,0,0,0,0|3,0,0]=4 4398 B12R0.234 COCCCNCCCOC(=O)C 34a_100150723488_100000042594 [0,1,0,0,0,0|3,0,0]=4 4399 B12R0.234 COCCCNCCCSC(=O)C 34a_100150723488_100000038929 [0,1,0,0,0,0|3,0,0]=4 4400 B12R0.234 COCCCNCCOCC(=O)N 34a_100150723488_100000076697 [0,1,0,0,0,0|3,0,0]=4 4401 B12R0.234 COCCCNCCOCC(=O)O 269956a_100000700818_100000740836 [0,1,0,0,0,0|2,0,0]=3 4402 B12R0.234 COCCCOCCCCB(O)O 34a_100000740835_200009817182 [0,1,0,0,0,0|2,0,1]=4 4403 B12R0.234 COCCCOCCCCC(=O)C 34a_100000740835_100009817362 [0,1,0,0,0,0|2,0,0]=3 4404 B12R0.234 COCCCOCCCCC(=O)N 34a_100012022536_100000740836 [0,1,0,0,0,0|2,0,0]=3 4405 B12R0.234 COCCCOCCCCC(=O)N 7a_100012022536_100000740836 [0,1,0,0,0,0|2,0,0]=3 4406 B12R0.234 COCCCOCCCC[N+](=O)[O-] 34a_200015379883_100000740836 [0,1,0,0,0,0|2,0,1]=4 4407 B12R0.234 COCCCOCCCC[N+](=O)[O-] 7a_200015379883_100000740836 [0,1,0,0,0,0|2,0,1]=4 4408 B12R0.234 COCCCOCCCNC(=O)C 34a_100000752032_100000740836 [0,1,0,0,0,0|3,0,0]=4 4409 B12R0.234 COCCCOCCCOC(=O)C 34a_100000740835_100000042594 [0,1,0,0,0,0|3,0,0]=4 4410 B12R0.234 COCCCOCCCSC(=O)C 34a_100000740835_100000038929 [0,1,0,0,0,0|3,0,0]=4 4411 B12R0.234 COCCCOCCOCC(=O)N 34a_100000740835_100000076697 [0,1,0,0,0,0|3,0,0]=4 4412 B12R0.234 COCCCSCCCCB(O)O 62a_100000709357_200009817182 [0,1,0,0,0,0|2,0,1]=4 4413 B12R0.234 COCCCSCCCCB(O)O 62a_200009817182_100000709357 [0,1,0,0,0,0|2,0,1]=4 4414 B12R0.234 COCCCSCCCCC(=O)C 62a_100000709357_100000735457 [0,1,0,0,0,0|2,0,0]=3 4415 B12R0.234 COCCCSCCCCC(=O)C 62a_100000735457_100000709357 [0,1,0,0,0,0|2,0,0]=3 4416 B12R0.234 COCCCSCCCOC(=O)C 62a_100000042594_100000709357 [0,1,0,0,0,0|3,0,0]=4 4417 B12R0.234 COCCCSCCCOC(=O)C 62a_100000709357_100000042594 [0,1,0,0,0,0|3,0,0]=4 4418 B12R0.234 COCCCSCCCSC(=O)C 62a_100000038929_100000709357 [0,1,0,0,0,0|3,0,0]=4 4419 B12R0.234 COCCCSCCCSC(=O)C 62a_100000709357_100000038929 [0,1,0,0,0,0|3,0,0]=4 4420 B12R0.234 COCCCSCCOCC(=O)N 62a_100000076697_100000709357 [0,1,0,0,0,0|3,0,0]=4 4421 B12R0.234 COCCCSCCOCC(=O)N 62a_100000709357_100000076697 [0,1,0,0,0,0|3,0,0]=4 4422 B12R0.234 COCCNCCCCCB(O)O 2230a_100000209980_200009817188 [0,1,0,0,0,0|2,0,1]=4 4423 B12R0.234 COCCNCCCCCC(=O)N 2230a_100000209980_100009817443 [0,1,0,0,0,0|2,0,0]=3 4424 B12R0.234 COCCNCCCCNC(=O)C 2230a_200011368371_100011201679 [0,1,0,0,0,0|3,0,0]=4 4425 B12R0.234 COCCNCCCCNC(=O)C 34a_200011368371_100011201679 [0,1,0,0,0,0|3,0,0]=4 4426 B12R0.234 COCCNCCCCSC(=O)C 2230a_100000209980_200010402107 [0,1,0,0,0,0|3,0,0]=4 4427 B12R0.234 COCCOCCCCCB(O)O 34a_100000210237_200009817188 [0,1,0,0,0,0|2,0,1]=4 4428 B12R0.234 COCCOCCCCCC(=O)N 34a_100000123541_100011201679 [0,1,0,0,0,0|2,0,0]=3 4429 B12R0.234 COCCOCCCCCC(=O)N 34a_100000210237_100009817443 [0,1,0,0,0,0|2,0,0]=3 4430 B12R0.234 COCCOCCCCCC(=O)N 7a_100000123541_100000233755 [0,1,0,0,0,0|2,0,0]=3 4431 B12R0.234 COCCOCCCCCC(=O)[O-] 7a_100102619762_100000233755 [0,1,0,0,0,0|1,0,1]=3 4432 B12R0.234 COCCOCCCCOC(=O)C 34a_100000073216_100011201679 [0,1,0,0,0,0|3,0,0]=4 4433 B12R0.234 COCCOCCCCOC(=O)C 34a_100000210237_100000033659 [0,1,0,0,0,0|3,0,0]=4 4434 B12R0.234 COCCOCCCCOC(=O)C 7a_100000073216_100000233755 [0,1,0,0,0,0|3,0,0]=4 4435 B12R0.234 COCCOCCCCSC(=O)C 34a_100000210237_200010402107 [0,1,0,0,0,0|3,0,0]=4 4436 B12R0.234 COCCOCCCNCC(=O)N 2230a_100000206027_100000747473 [0,1,0,0,0,0|3,0,0]=4 4437 B12R0.234 COCCOCCCNCC(=O)N 2230a_100000711301_100011216529 [0,1,0,0,0,0|3,0,0]=4 4438 B12R0.234 COCCOCCCNCC(=O)N 34a_100000206027_100000187820 [0,1,0,0,0,0|3,0,0]=4 4439 B12R0.234 COCCOCCCNCC(=O)O 269956a_100016091260_100011216529 [0,1,0,0,0,0|2,0,0]=3 4440 B12R0.234 COCCOCCCNCC(=O)[O-] 34a_100000206027_100020667443 [0,1,0,0,0,0|2,0,1]=4 4441 B12R0.234 COCCOCCCOCC(=O)C 34a_100000211253_100011216529 [0,1,0,0,0,0|3,0,0]=4 4442 B12R0.234 COCCOCCCSCC(=O)N 62a_100000747473_100011216529 [0,1,0,0,0,0|3,0,0]=4 4443 B12R0.234 COCCOCCCSCC(=O)N 62a_100011216529_100000747473 [0,1,0,0,0,0|3,0,0]=4 4444 B12R0.234 COCCOCCCSCC(=O)[O-] 62a_100011216529_100020667443 [0,1,0,0,0,0|2,0,1]=4 4445 B12R0.234 COCCOCCCSCC(=O)[O-] 62a_100020667443_100011216529 [0,1,0,0,0,0|2,0,1]=4 4446 B12R0.234 COCCOCCNCCC(=O)N 2230a_100000745349_100000744528 [0,1,0,0,0,0|3,0,0]=4 4447 B12R0.234 COCCOCCNCCC(=O)N 34a_100000745349_100000731001 [0,1,0,0,0,0|3,0,0]=4 4448 B12R0.234 COCCOCCNOCC(=O)O 269956a_100000106656_100000695917 [0,1,0,0,0,0|3,0,0]=4 4449 B12R0.234 COCCOCCOCCC(=O)C 1458a_100000070787_100013367474 [0,1,0,0,0,0|3,0,0]=4 4450 B12R0.234 COCCOCCOCCC(=O)C 1458a_100012278103_200000210301 [0,1,0,0,0,0|3,0,0]=4 4451 B12R0.234 COCCOCCOCCC(=O)C 34a_100000759926_100000695917 [0,1,0,0,0,0|3,0,0]=4 4452 B12R0.234 COCCOCCOCCC(=O)C 7a_100000759926_100000695917 [0,1,0,0,0,0|3,0,0]=4 4453 B12R0.234 COCCOCCOCCC(=O)C 7a_100011215163_100000053229 [0,1,0,0,0,0|3,0,0]=4 4454 B12R0.234 COCCOCCOCCC(=O)N 34a_100000757172_100000695917 [0,1,0,0,0,0|3,0,0]=4 4455 B12R0.234 COCCOCCOCCC(=O)N 34a_100011215163_100000731001 [0,1,0,0,0,0|3,0,0]=4 4456 B12R0.234 COCCOCCOCCC(=O)N 7a_100000757172_100000695917 [0,1,0,0,0,0|3,0,0]=4 4457 B12R0.234 COCCOCCOCCC(=O)N 7a_100011215163_100000744528 [0,1,0,0,0,0|3,0,0]=4 4458 B12R0.234 COCCOCCOCCC(=O)[13CH3] 1458a_100012278103_200025704644 [0,1,0,0,0,0|3,0,0]=4 4459 B12R0.234 COCCOCCSCCC(=O)C 62a_100000053229_100000695917 [0,1,0,0,0,0|3,0,0]=4 4460 B12R0.234 COCCOCCSCCC(=O)C 62a_100000695917_100000053229 [0,1,0,0,0,0|3,0,0]=4 4461 B12R0.234 COCCOCCSCCC(=O)N 62a_100000695917_100000744528 [0,1,0,0,0,0|3,0,0]=4 4462 B12R0.234 COCCOCCSCCC(=O)N 62a_100000744528_100000695917 [0,1,0,0,0,0|3,0,0]=4 4463 B12R0.234 COCCOCSCCCC(=O)C 62a_100000231047_100011215641 [0,1,0,0,0,0|3,0,0]=4 4464 B12R0.234 COCCOCSCCCC(=O)C 62a_100011215641_100000231047 [0,1,0,0,0,0|3,0,0]=4 4465 B12R0.234 COCCOCSCCCC(=O)N 62a_100000231047_100102525003 [0,1,0,0,0,0|3,0,0]=4 4466 B12R0.234 COCCOCSCCCC(=O)N 62a_100102525003_100000231047 [0,1,0,0,0,0|3,0,0]=4 4467 B12R0.234 COCCSCCCCCB(O)O 62a_100000233755_200009817188 [0,1,0,0,0,0|2,0,1]=4 4468 B12R0.234 COCCSCCCCCB(O)O 62a_200009817188_100000233755 [0,1,0,0,0,0|2,0,1]=4 4469 B12R0.234 COCCSCCCCCC(=O)N 62a_100000233755_100009817443 [0,1,0,0,0,0|2,0,0]=3 4470 B12R0.234 COCCSCCCCCC(=O)N 62a_100009817443_100000233755 [0,1,0,0,0,0|2,0,0]=3 4471 B12R0.234 COCCSCCCCOC(=O)C 62a_100000033659_100000233755 [0,1,0,0,0,0|3,0,0]=4 4472 B12R0.234 COCCSCCCCOC(=O)C 62a_100000233755_100000033659 [0,1,0,0,0,0|3,0,0]=4 4473 B12R0.234 COCCSCCCCSC(=O)C 62a_100000233755_200010402107 [0,1,0,0,0,0|3,0,0]=4 4474 B12R0.234 COCCSCCCCSC(=O)C 62a_200010402107_100000233755 [0,1,0,0,0,0|3,0,0]=4 4475 B12R0.234 COCNCCCCCNC(=O)C 2230a_200012022750_100000766300 [0,1,0,0,0,0|3,0,0]=4 4476 B12R0.234 COCSCCCCCCB(O)O 62a_100000766300_100009817187 [0,1,0,0,0,0|2,0,1]=4 4477 B12R0.234 COCSCCCCCCB(O)O 62a_100009817187_100000766300 [0,1,0,0,0,0|2,0,1]=4 4478 B12R0.234 COCSCCCCCOC(=O)C 62a_100000033007_100000766300 [0,1,0,0,0,0|3,0,0]=4 4479 B12R0.234 COCSCCCCCOC(=O)C 62a_100000766300_100000033007 [0,1,0,0,0,0|3,0,0]=4 4480 B12R0.234 CS(=O)CCCNCCCCCF 2230a_200000753449_100000729378 [0,1,0,0,0,0|3,0,0]=4 4481 B12R0.234 CS(=O)CCCNCCCCCO 2230a_200000753449_100000746330 [0,1,0,0,0,0|3,0,0]=4 4482 B12R0.234 CSCCCCOCCCC(=O)C 34a_100011217163_100000685027 [0,1,0,0,0,0|2,0,0]=3 4483 B12R0.234 CSCCCCOCCCC(=O)C 7a_100011217163_100011215641 [0,1,0,0,0,0|2,0,0]=3 4484 B12R0.234 CSCCCCOCCCC(=O)N 34a_100011217163_100102525003 [0,1,0,0,0,0|2,0,0]=3 4485 B12R0.234 CSCCCCOCCCC(=O)N 7a_100011217163_100102525003 [0,1,0,0,0,0|2,0,0]=3 4486 B12R0.234 CSCCCCOCCCC(C)O 34a_100011217163_200000718107 [0,1,0,0,0,0|2,0,1]=4 4487 B12R0.234 CSCCCCOCCCC(C)O 7a_100011217163_200000718107 [0,1,0,0,0,0|2,0,1]=4 4488 B12R0.234 CSCCCCOCCNC(=O)C 7a_100011217163_100000189650 [0,1,0,0,0,0|3,0,0]=4 4489 B12R0.234 CSCCCCOCCNC(=O)N 7a_100011217163_200000034859 [0,1,0,0,0,0|3,0,0]=4 4490 B12R0.234 CSCCCCOCCOC(=O)C 34a_100011217163_100009814007 [0,1,0,0,0,0|3,0,0]=4 4491 B12R0.234 CSCCCCOCCOC(=O)C 7a_100011217163_100009814007 [0,1,0,0,0,0|3,0,0]=4 4492 B12R0.234 CSCCCCOCCOC(=O)N 34a_100011217163_200011214921 [0,1,0,0,0,0|3,0,0]=4 4493 B12R0.234 CSCCCCOCCOC(=O)N 7a_100011217163_200011214921 [0,1,0,0,0,0|3,0,0]=4 4494 B12R0.234 CSCCCNCCCCB(O)O 2230a_100000749238_200009817182 [0,1,0,0,0,0|2,0,1]=4 4495 B12R0.234 CSCCCNCCCSC(=O)C 2230a_100000749238_100000038929 [0,1,0,0,0,0|3,0,0]=4 4496 B12R0.234 CSCCCNCCOCC(=O)N 2230a_100000749238_100000076697 [0,1,0,0,0,0|3,0,0]=4 4497 B12R0.234 CSCCCOCCCCB(O)O 34a_100000690336_200009817182 [0,1,0,0,0,0|2,0,1]=4 4498 B12R0.234 CSCCCOCCCCB(O)O 7a_100000690336_200009817182 [0,1,0,0,0,0|2,0,1]=4 4499 B12R0.234 CSCCCOCCCCC(=O)C 34a_100000690336_100009817362 [0,1,0,0,0,0|2,0,0]=3 4500 B12R0.234 CSCCCOCCCCC(=O)C 7a_100000690336_100000735457 [0,1,0,0,0,0|2,0,0]=3 4501 B12R0.234 CSCCCOCCCOC(=O)C 34a_100000690336_100000042594 [0,1,0,0,0,0|3,0,0]=4 4502 B12R0.234 CSCCCOCCCOC(=O)C 7a_100000690336_100000042594 [0,1,0,0,0,0|3,0,0]=4 4503 B12R0.234 CSCCCOCCCSC(=O)C 34a_100000690336_100000038929 [0,1,0,0,0,0|3,0,0]=4 4504 B12R0.234 CSCCCOCCCSC(=O)C 7a_100000690336_100000038929 [0,1,0,0,0,0|3,0,0]=4 4505 B12R0.234 CSCCCOCCOCC(=O)N 34a_100000690336_100000076697 [0,1,0,0,0,0|3,0,0]=4 4506 B12R0.234 CSCCCOCCOCC(=O)N 7a_100000690336_100000076697 [0,1,0,0,0,0|3,0,0]=4 4507 B12R0.234 CSCCNCCCCCB(O)O 2230a_100020590264_200009817188 [0,1,0,0,0,0|2,0,1]=4 4508 B12R0.234 CSCCNCCCCCC(=O)N 2230a_100020590264_100009817443 [0,1,0,0,0,0|2,0,0]=3 4509 B12R0.234 CSCCNCCCCNC(=O)C 2230a_200011368371_100000751147 [0,1,0,0,0,0|3,0,0]=4 4510 B12R0.234 CSCCNCCCCNC(=O)C 34a_200011368371_100000212216 [0,1,0,0,0,0|3,0,0]=4 4511 B12R0.234 CSCCNCCCCSC(=O)C 2230a_100020590264_200010402107 [0,1,0,0,0,0|3,0,0]=4 4512 B12R0.234 CSCCOCCCCCB(O)O 34a_100000230434_200009817188 [0,1,0,0,0,0|2,0,1]=4 4513 B12R0.234 CSCCOCCCCCB(O)O 7a_100000230434_200009817188 [0,1,0,0,0,0|2,0,1]=4 4514 B12R0.234 CSCCOCCCCCC(=O)N 34a_100000123541_100000212216 [0,1,0,0,0,0|2,0,0]=3 4515 B12R0.234 CSCCOCCCCCC(=O)N 34a_100000230434_100009817443 [0,1,0,0,0,0|2,0,0]=3 4516 B12R0.234 CSCCOCCCCCC(=O)N 7a_100000123541_100000212216 [0,1,0,0,0,0|2,0,0]=3 4517 B12R0.234 CSCCOCCCCCC(=O)N 7a_100000230434_100009817443 [0,1,0,0,0,0|2,0,0]=3 4518 B12R0.234 CSCCOCCCCCC(=O)[O-] 7a_100102619762_100000212216 [0,1,0,0,0,0|1,0,1]=3 4519 B12R0.234 CSCCOCCCCOC(=O)C 34a_100000073216_100000212216 [0,1,0,0,0,0|3,0,0]=4 4520 B12R0.234 CSCCOCCCCOC(=O)C 34a_100000230434_100000033659 [0,1,0,0,0,0|3,0,0]=4 4521 B12R0.234 CSCCOCCCCOC(=O)C 7a_100000073216_100000212216 [0,1,0,0,0,0|3,0,0]=4 4522 B12R0.234 CSCCOCCCCOC(=O)C 7a_100000230434_100000033659 [0,1,0,0,0,0|3,0,0]=4 4523 B12R0.234 CSCCOCCCCSC(=O)C 34a_100000230434_200010402107 [0,1,0,0,0,0|3,0,0]=4 4524 B12R0.234 CSCCOCCCCSC(=O)C 7a_100000230434_200010402107 [0,1,0,0,0,0|3,0,0]=4 4525 B12R0.234 CSCCSCCCCCB(O)O 62a_100000212216_200009817188 [0,1,0,0,0,0|2,0,1]=4 4526 B12R0.234 CSCCSCCCCCB(O)O 62a_200009817188_100000751147 [0,1,0,0,0,0|2,0,1]=4 4527 B12R0.234 CSCCSCCCCCC(=O)N 62a_100000212216_100009817443 [0,1,0,0,0,0|2,0,0]=3 4528 B12R0.234 CSCCSCCCCCC(=O)N 62a_100009817443_100000751147 [0,1,0,0,0,0|2,0,0]=3 4529 B12R0.234 CSCCSCCCCOC(=O)C 62a_100000033659_100000751147 [0,1,0,0,0,0|3,0,0]=4 4530 B12R0.234 CSCCSCCCCOC(=O)C 62a_100000212216_100000033659 [0,1,0,0,0,0|3,0,0]=4 4531 B12R0.234 CSCCSCCCCSC(=O)C 62a_100000212216_200010402107 [0,1,0,0,0,0|3,0,0]=4 4532 B12R0.234 CSCCSCCCCSC(=O)C 62a_200010402107_100000751147 [0,1,0,0,0,0|3,0,0]=4 4533 B12R0.234 CSCNCCCCCNC(=O)C 2230a_200012022750_100011218213 [0,1,0,0,0,0|3,0,0]=4 4534 B12R0.234 CSCNCCCCCNC(=O)C 34a_200012022750_100011218213 [0,1,0,0,0,0|3,0,0]=4 4535 B12R0.234 CSCSCCCCCCB(O)O 62a_100009817187_100011218213 [0,1,0,0,0,0|2,0,1]=4 4536 B12R0.234 CSCSCCCCCCB(O)O 62a_100011218213_100009817187 [0,1,0,0,0,0|2,0,1]=4 4537 B12R0.234 CSCSCCCCCOC(=O)C 62a_100000033007_100011218213 [0,1,0,0,0,0|3,0,0]=4 4538 B12R0.234 CSCSCCCCCOC(=O)C 62a_100011218213_100000033007 [0,1,0,0,0,0|3,0,0]=4 4539 B12R0.234 C[C@@H](O)CNCCCCCCCO 2230a_100011996573_100009817552 [0,1,0,0,0,0|2,0,1]=4 4540 B12R0.234 C[C@@H](O)CNCCCCCCCO 34a_100011996573_100009817552 [0,1,0,0,0,0|2,0,1]=4 4541 B12R0.234 C[C@@H](O)COCCCCCCCBr 34a_100000760002_100009817552 [0,1,0,0,0,0|2,0,1]=4 4542 B12R0.234 C[C@@H](O)COCCCCCCCBr 7a_100000760002_100009817552 [0,1,0,0,0,0|2,0,1]=4 4543 B12R0.234 C[C@@H](O)COCCCCCCCN 34a_100011996573_100009817552 [0,1,0,0,0,0|2,0,1]=4 4544 B12R0.234 C[C@@H](O)CSCCCCCCCO 62a_100000760002_100009817552 [0,1,0,0,0,0|2,0,1]=4 4545 B12R0.234 C[C@@H](O)CSCCCCCCCO 62a_100009817552_100000760002 [0,1,0,0,0,0|2,0,1]=4 4546 B12R0.234 N#CCCCCCCNCC(=O)N 2230a_100000711301_100009813337 [0,1,0,0,0,0|2,0,1]=4 4547 B12R0.234 N#CCCCCCCNCC(=O)O 269956a_100016091260_100009813337 [0,1,0,0,0,0|1,0,1]=3 4548 B12R0.234 N#CCCCCCCSCC(=O)N 62a_100000747473_100009813337 [0,1,0,0,0,0|2,0,1]=4 4549 B12R0.234 N#CCCCCCCSCC(=O)N 62a_100009813337_100000747473 [0,1,0,0,0,0|2,0,1]=4 4550 B12R0.234 N#CCCCCCCSCC(=O)[O-] 62a_100009813337_100020667443 [0,1,0,0,0,0|1,0,2]=4 4551 B12R0.234 N#CCCCCCCSCC(=O)[O-] 62a_100020667443_100009813337 [0,1,0,0,0,0|1,0,2]=4 4552 B12R0.234 N#CCCCCCNOCC(=O)O 269956a_100000106656_100009813376 [0,1,0,0,0,0|2,0,1]=4 4553 B12R0.234 N#CCCCCCOCCC(=O)N 7a_100000757172_100009813376 [0,1,0,0,0,0|2,0,1]=4 4554 B12R0.234 N#CCCCCCSCCC(=O)N 62a_100000744528_100009813376 [0,1,0,0,0,0|2,0,1]=4 4555 B12R0.234 N#CCCCCCSCCC(=O)N 62a_100009813376_100000744528 [0,1,0,0,0,0|2,0,1]=4 4556 B12R0.234 N#CCCCCSCCCC(=O)N 62a_100011219923_100102525003 [0,1,0,0,0,0|2,0,1]=4 4557 B12R0.234 N#CCCCCSCCCC(=O)N 62a_100102525003_100000211819 [0,1,0,0,0,0|2,0,1]=4 4558 B12R0.234 N#CCCCNCCOCC(=O)O 269956a_100000700818_100000687738 [0,1,0,0,0,0|2,0,1]=4 4559 B12R0.234 N#CCCCOCCCCC(=O)N 7a_100012022536_100000687738 [0,1,0,0,0,0|2,0,1]=4 4560 B12R0.234 N#CCCOCCCCCC(=O)N 7a_100000123541_100000184422 [0,1,0,0,0,0|2,0,1]=4 4561 B12R0.234 N#CCCOCCCCCC(=O)[O-] 7a_100102619762_100000184422 [0,1,0,0,0,0|1,0,2]=4 4562 B12R0.234 N#CCCSCCCCCC(=O)N 62a_100009817443_100011215226 [0,1,0,0,0,0|2,0,1]=4 4563 B12R0.234 N#CCCSCCCCCC(=O)N 62a_100011215226_100009817443 [0,1,0,0,0,0|2,0,1]=4 4564 B12R0.234 NC(=O)CCCCCNCCCF 2230a_100015189416_100009817443 [0,1,0,0,0,0|2,0,0]=3 4565 B12R0.234 NC(=O)CCCCCNCCCF 34a_100015189416_100009817443 [0,1,0,0,0,0|2,0,0]=3 4566 B12R0.234 NC(=O)CCCCCOCCCBr 34a_100011217188_100009817443 [0,1,0,0,0,0|2,0,0]=3 4567 B12R0.234 NC(=O)CCCCCOCCCCl 34a_100000230001_100009817443 [0,1,0,0,0,0|2,0,0]=3 4568 B12R0.234 NC(=O)CCCCCOCCCF 34a_100000123541_100011934791 [0,1,0,0,0,0|2,0,0]=3 4569 B12R0.234 NC(=O)CCCCCOCCCF 34a_100000759539_100009817443 [0,1,0,0,0,0|2,0,0]=3 4570 B12R0.234 NC(=O)CCCCCOCCCF 7a_100000123541_100011934791 [0,1,0,0,0,0|2,0,0]=3 4571 B12R0.234 NC(=O)CCCCCOCCCO 34a_100000123541_100000230001 [0,1,0,0,0,0|2,0,0]=3 4572 B12R0.234 NC(=O)CCCCCOCCCO 7a_100000123541_100011215043 [0,1,0,0,0,0|2,0,0]=3 4573 B12R0.234 NC(=O)CCCCCSCCCF 62a_100009817443_100011934791 [0,1,0,0,0,0|2,0,0]=3 4574 B12R0.234 NC(=O)CCCCCSCCCF 62a_100011934791_100009817443 [0,1,0,0,0,0|2,0,0]=3 4575 B12R0.234 NC(=O)CCCCCSCCCO 62a_100009817443_100011215043 [0,1,0,0,0,0|2,0,0]=3 4576 B12R0.234 NC(=O)CCCCCSCCCO 62a_100011215043_100009817443 [0,1,0,0,0,0|2,0,0]=3 4577 B12R0.234 NC(=O)CCCCNCCCCF 34a_100000696515_100000729493 [0,1,0,0,0,0|2,0,0]=3 4578 B12R0.234 NC(=O)CCCCNCCCCO 34a_100000696515_100011216708 [0,1,0,0,0,0|2,0,0]=3 4579 B12R0.234 NC(=O)CCCCOCCCC=O 7a_100012022536_200011292268 [0,1,0,0,0,0|2,0,1]=4 4580 B12R0.234 NC(=O)CCCCOCCCCF 34a_100012022536_100000729493 [0,1,0,0,0,0|2,0,0]=3 4581 B12R0.234 NC(=O)CCCCOCCCCF 7a_100012022536_100000729493 [0,1,0,0,0,0|2,0,0]=3 4582 B12R0.234 NC(=O)CCCCOCCCCO 34a_100012022536_100011216708 [0,1,0,0,0,0|2,0,0]=3 4583 B12R0.234 NC(=O)CCCCOCCCCO 7a_100012022536_100000210776 [0,1,0,0,0,0|2,0,0]=3 4584 B12R0.234 NC(=O)CCCNCCCCCF 34a_100000739312_100000729378 [0,1,0,0,0,0|2,0,0]=3 4585 B12R0.234 NC(=O)CCCNCCCCCO 34a_100000739312_100000746330 [0,1,0,0,0,0|2,0,0]=3 4586 B12R0.234 NC(=O)CCCNCCCCCO 34a_100000762737_100102525003 [0,1,0,0,0,0|2,0,0]=3 4587 B12R0.234 NC(=O)CCCNCCOCCO 34a_100000211614_100102525003 [0,1,0,0,0,0|3,0,0]=4 4588 B12R0.234 NC(=O)CCCNCCOCCO 34a_100000739312_100000692535 [0,1,0,0,0,0|3,0,0]=4 4589 B12R0.234 NC(=O)CCCOCCCCCBr 34a_100000746331_100102525003 [0,1,0,0,0,0|2,0,0]=3 4590 B12R0.234 NC(=O)CCCOCCCCCBr 7a_100000746331_100102525003 [0,1,0,0,0,0|2,0,0]=3 4591 B12R0.234 NC(=O)CCCOCCCCCCl 34a_100000746330_100102525003 [0,1,0,0,0,0|2,0,0]=3 4592 B12R0.234 NC(=O)CCCOCCCCCCl 7a_100000746330_100102525003 [0,1,0,0,0,0|2,0,0]=3 4593 B12R0.234 NC(=O)CCCOCCCCCI 34a_200012148887_100102525003 [0,1,0,0,0,0|2,0,0]=3 4594 B12R0.234 NC(=O)CCCOCCCCCI 7a_200012148887_100102525003 [0,1,0,0,0,0|2,0,0]=3 4595 B12R0.234 NC(=O)CCCOCCOCCBr 34a_100000692535_100102525003 [0,1,0,0,0,0|3,0,0]=4 4596 B12R0.234 NC(=O)CCCOCCOCCBr 7a_100000692535_100102525003 [0,1,0,0,0,0|3,0,0]=4 4597 B12R0.234 NC(=O)CCCOCCOCCCl 34a_100011215305_100102525003 [0,1,0,0,0,0|3,0,0]=4 4598 B12R0.234 NC(=O)CCCOCCOCCCl 7a_100011215305_100102525003 [0,1,0,0,0,0|3,0,0]=4 4599 B12R0.234 NC(=O)CCCOCCOCCF 34a_200015357709_100102525003 [0,1,0,0,0,0|3,0,0]=4 4600 B12R0.234 NC(=O)CCCOCCOCCF 7a_200015357709_100102525003 [0,1,0,0,0,0|3,0,0]=4 4601 B12R0.234 NC(=O)CCCOCCOCCI 34a_100012149058_100102525003 [0,1,0,0,0,0|3,0,0]=4 4602 B12R0.234 NC(=O)CCCOCCOCCI 7a_100012149058_100102525003 [0,1,0,0,0,0|3,0,0]=4 4603 B12R0.234 NC(=O)CCCSCCCCC=O 62a_100000139335_100102525003 [0,1,0,0,0,0|2,0,1]=4 4604 B12R0.234 NC(=O)CCCSCCCCC=O 62a_100102525003_100000139335 [0,1,0,0,0,0|2,0,1]=4 4605 B12R0.234 NC(=O)CCCSCCCCCF 62a_100000729378_100102525003 [0,1,0,0,0,0|2,0,0]=3 4606 B12R0.234 NC(=O)CCCSCCCCCF 62a_100102525003_100000729378 [0,1,0,0,0,0|2,0,0]=3 4607 B12R0.234 NC(=O)CCCSCCCCCO 62a_100000746330_100102525003 [0,1,0,0,0,0|2,0,0]=3 4608 B12R0.234 NC(=O)CCCSCCCCCO 62a_100102525003_100000746330 [0,1,0,0,0,0|2,0,0]=3 4609 B12R0.234 NC(=O)CCCSCCOCCO 62a_100011215305_100102525003 [0,1,0,0,0,0|3,0,0]=4 4610 B12R0.234 NC(=O)CCCSCCOCCO 62a_100102525003_100011215305 [0,1,0,0,0,0|3,0,0]=4 4611 B12R0.234 NC(=O)CCNCCCCCCO 2230a_100000686447_100000744528 [0,1,0,0,0,0|2,0,0]=3 4612 B12R0.234 NC(=O)CCNCCCCCCO 34a_100000686447_100000731001 [0,1,0,0,0,0|2,0,0]=3 4613 B12R0.234 NC(=O)CCOCCCCCC=O 7a_100000757172_100000139337 [0,1,0,0,0,0|2,0,1]=4 4614 B12R0.234 NC(=O)CCOCCCCCCBr 34a_100011215345_100000731001 [0,1,0,0,0,0|2,0,0]=3 4615 B12R0.234 NC(=O)CCOCCCCCCBr 7a_100011215345_100000744528 [0,1,0,0,0,0|2,0,0]=3 4616 B12R0.234 NC(=O)CCOCCCCCCCl 34a_100000766143_100000731001 [0,1,0,0,0,0|2,0,0]=3 4617 B12R0.234 NC(=O)CCOCCCCCCCl 7a_100000766143_100000744528 [0,1,0,0,0,0|2,0,0]=3 4618 B12R0.234 NC(=O)CCOCCCCCCF 34a_100000732779_100000731001 [0,1,0,0,0,0|2,0,0]=3 4619 B12R0.234 NC(=O)CCOCCCCCCF 34a_100000757172_100015922095 [0,1,0,0,0,0|2,0,0]=3 4620 B12R0.234 NC(=O)CCOCCCCCCF 7a_100000732779_100000744528 [0,1,0,0,0,0|2,0,0]=3 4621 B12R0.234 NC(=O)CCOCCCCCCF 7a_100000757172_100015922095 [0,1,0,0,0,0|2,0,0]=3 4622 B12R0.234 NC(=O)CCOCCCCCCO 34a_100000757172_100000766143 [0,1,0,0,0,0|2,0,0]=3 4623 B12R0.234 NC(=O)CCOCCCCCCO 7a_100000757172_100000766143 [0,1,0,0,0,0|2,0,0]=3 4624 B12R0.234 NC(=O)CCSCCCCCC=O 62a_100000139337_100000744528 [0,1,0,0,0,0|2,0,1]=4 4625 B12R0.234 NC(=O)CCSCCCCCC=O 62a_100000744528_100000139337 [0,1,0,0,0,0|2,0,1]=4 4626 B12R0.234 NC(=O)CCSCCCCCCF 62a_100000744528_100015922095 [0,1,0,0,0,0|2,0,0]=3 4627 B12R0.234 NC(=O)CCSCCCCCCF 62a_100015922095_100000744528 [0,1,0,0,0,0|2,0,0]=3 4628 B12R0.234 NC(=O)CCSCCCCCCO 62a_100000744528_100000766143 [0,1,0,0,0,0|2,0,0]=3 4629 B12R0.234 NC(=O)CCSCCCCCCO 62a_100000766143_100000744528 [0,1,0,0,0,0|2,0,0]=3 4630 B12R0.234 NC(=O)CNCCCCCCCO 2230a_100000711301_100000760002 [0,1,0,0,0,0|2,0,0]=3 4631 B12R0.234 NC(=O)CNCCCCCCCO 2230a_100011996573_100000747473 [0,1,0,0,0,0|2,0,0]=3 4632 B12R0.234 NC(=O)CNCCCCCCCO 34a_100011996573_100000187820 [0,1,0,0,0,0|2,0,0]=3 4633 B12R0.234 NC(=O)CNCCCOCCCO 2230a_100011310245_100000747473 [0,1,0,0,0,0|3,0,0]=4 4634 B12R0.234 NC(=O)CNCCCOCCCO 34a_100011310245_100000187820 [0,1,0,0,0,0|3,0,0]=4 4635 B12R0.234 NC(=O)COCCCCCCCBr 34a_100000760002_100000187820 [0,1,0,0,0,0|2,0,0]=3 4636 B12R0.234 NC(=O)COCCCCCCCBr 7a_100000760002_100000187820 [0,1,0,0,0,0|2,0,0]=3 4637 B12R0.234 NC(=O)COCCNCCCCO 2230a_100000750430_100000076697 [0,1,0,0,0,0|3,0,0]=4 4638 B12R0.234 NC(=O)COCCNCCCCO 34a_100000750430_100000076697 [0,1,0,0,0,0|3,0,0]=4 4639 B12R0.234 NC(=O)COCCOCCCCBr 34a_100011216708_100000076697 [0,1,0,0,0,0|3,0,0]=4 4640 B12R0.234 NC(=O)COCCOCCCCCl 34a_100000210776_100000076697 [0,1,0,0,0,0|3,0,0]=4 4641 B12R0.234 NC(=O)COCCOCCCCCl 7a_100000210776_100000076697 [0,1,0,0,0,0|3,0,0]=4 4642 B12R0.234 NC(=O)COCCOCCCCF 34a_100011995726_100000076697 [0,1,0,0,0,0|3,0,0]=4 4643 B12R0.234 NC(=O)COCCOCCCCF 7a_100011995726_100000076697 [0,1,0,0,0,0|3,0,0]=4 4644 B12R0.234 NC(=O)COCCOCCCCI 34a_200012148704_100000076697 [0,1,0,0,0,0|3,0,0]=4 4645 B12R0.234 NC(=O)COCCSCCCCF 62a_100000076697_100000729493 [0,1,0,0,0,0|3,0,0]=4 4646 B12R0.234 NC(=O)COCCSCCCCF 62a_100000729493_100000076697 [0,1,0,0,0,0|3,0,0]=4 4647 B12R0.234 NC(=O)COCCSCCCCO 62a_100000076697_100000210776 [0,1,0,0,0,0|3,0,0]=4 4648 B12R0.234 NC(=O)COCCSCCCCO 62a_100000210776_100000076697 [0,1,0,0,0,0|3,0,0]=4 4649 B12R0.234 NC(=O)CSCCCCCCCO 62a_100000747473_100000760002 [0,1,0,0,0,0|2,0,0]=3 4650 B12R0.234 NC(=O)CSCCCCCCCO 62a_100000760002_100000747473 [0,1,0,0,0,0|2,0,0]=3 4651 B12R0.234 NC(=O)NCCNCCCCCF 34a_100020590234_100000729378 [0,1,0,0,0,0|3,0,0]=4 4652 B12R0.234 NC(=O)NCCNCCCCCO 2230a_100000762737_200000034859 [0,1,0,0,0,0|3,0,0]=4 4653 B12R0.234 NC(=O)NCCNCCCCCO 34a_100020590234_100000746330 [0,1,0,0,0,0|3,0,0]=4 4654 B12R0.234 NC(=O)NCCOCCCCCBr 7a_100000746331_200000034859 [0,1,0,0,0,0|3,0,0]=4 4655 B12R0.234 NC(=O)NCCOCCCCCCl 7a_100000746330_200000034859 [0,1,0,0,0,0|3,0,0]=4 4656 B12R0.234 NC(=O)NCCOCCCCCF 34a_100000181757_100000729378 [0,1,0,0,0,0|3,0,0]=4 4657 B12R0.234 NC(=O)NCCOCCCCCI 7a_200012148887_200000034859 [0,1,0,0,0,0|3,0,0]=4 4658 B12R0.234 NC(=O)NCCOCCCCCO 34a_100000181757_100000746330 [0,1,0,0,0,0|3,0,0]=4 4659 B12R0.234 NC(=O)NCCSCCCCCF 62a_100000729378_200000034859 [0,1,0,0,0,0|3,0,0]=4 4660 B12R0.234 NC(=O)NCCSCCCCCF 62a_200000034859_100000729378 [0,1,0,0,0,0|3,0,0]=4 4661 B12R0.234 NC(=O)NCCSCCCCCO 62a_100000746330_200000034859 [0,1,0,0,0,0|3,0,0]=4 4662 B12R0.234 NC(=O)NCCSCCCCCO 62a_200000034859_100000746330 [0,1,0,0,0,0|3,0,0]=4 4663 B12R0.234 NC(=O)OCCNCCCCCO 34a_100000762737_200011214921 [0,1,0,0,0,0|3,0,0]=4 4664 B12R0.234 NC(=O)OCCOCCCCCBr 34a_100000746331_200011214921 [0,1,0,0,0,0|3,0,0]=4 4665 B12R0.234 NC(=O)OCCOCCCCCBr 7a_100000746331_200011214921 [0,1,0,0,0,0|3,0,0]=4 4666 B12R0.234 NC(=O)OCCOCCCCCCl 34a_100000746330_200011214921 [0,1,0,0,0,0|3,0,0]=4 4667 B12R0.234 NC(=O)OCCOCCCCCCl 7a_100000746330_200011214921 [0,1,0,0,0,0|3,0,0]=4 4668 B12R0.234 NC(=O)OCCOCCCCCF 7a_100000766696_100000729378 [0,1,0,0,0,0|3,0,0]=4 4669 B12R0.234 NC(=O)OCCOCCCCCI 34a_200012148887_200011214921 [0,1,0,0,0,0|3,0,0]=4 4670 B12R0.234 NC(=O)OCCOCCCCCI 7a_200012148887_200011214921 [0,1,0,0,0,0|3,0,0]=4 4671 B12R0.234 NC(=O)OCCOCCCCCO 7a_100000766696_100000746330 [0,1,0,0,0,0|3,0,0]=4 4672 B12R0.234 NC(=O)OCCSCCCCCF 62a_100000729378_200011214921 [0,1,0,0,0,0|3,0,0]=4 4673 B12R0.234 NC(=O)OCCSCCCCCF 62a_200011214921_100000729378 [0,1,0,0,0,0|3,0,0]=4 4674 B12R0.234 NC(=O)OCCSCCCCCO 62a_100000746330_200011214921 [0,1,0,0,0,0|3,0,0]=4 4675 B12R0.234 NC(=O)OCCSCCCCCO 62a_200011214921_100000746330 [0,1,0,0,0,0|3,0,0]=4 4676 B12R0.234 NCCCCCCCOCC(=O)N 34a_100011996573_100000187820 [0,1,0,0,0,0|2,0,0]=3 4677 B12R0.234 NCCCCCCCOCC(=O)[O-] 34a_100011996573_100020667443 [0,1,0,0,0,0|1,0,1]=3 4678 B12R0.234 NCCCCCCCOC[N+](=O)[O-] 34a_100011996573_100000761209 [0,1,0,0,0,0|2,0,1]=4 4679 B12R0.234 NCCCCCCOCCC(=O)N 34a_100000686447_100000731001 [0,1,0,0,0,0|2,0,0]=3 4680 B12R0.234 NCCCCCOCCCC(=O)N 34a_100000762737_100102525003 [0,1,0,0,0,0|2,0,0]=3 4681 B12R0.234 NCCCCCOCCOC(=O)N 34a_100000762737_200011214921 [0,1,0,0,0,0|3,0,0]=4 4682 B12R0.234 NCCCCOCCCCB(O)O 34a_100000750430_200009817182 [0,1,0,0,0,0|2,0,1]=4 4683 B12R0.234 NCCCCOCCOCC(=O)N 34a_100000750430_100000076697 [0,1,0,0,0,0|3,0,0]=4 4684 B12R0.234 NCCCOCCCCCB(O)O 34a_100000182051_200009817188 [0,1,0,0,0,0|2,0,1]=4 4685 B12R0.234 NCCCOCCCCCC(=O)N 34a_100000182051_100009817443 [0,1,0,0,0,0|2,0,0]=3 4686 B12R0.234 NCCCOCCCOCC(=O)N 34a_100011310245_100000187820 [0,1,0,0,0,0|3,0,0]=4 4687 B12R0.234 NCCCOCCCOCC(=O)[O-] 34a_100011310245_100020667443 [0,1,0,0,0,0|2,0,1]=4 4688 B12R0.234 NCCOCCCCCCB(O)O 34a_100000210304_100009817187 [0,1,0,0,0,0|2,0,1]=4 4689 B12R0.234 NCCOCCOCCCC(=O)N 34a_100000211614_100102525003 [0,1,0,0,0,0|3,0,0]=4 4690 B12R0.234 NOCCOCCCCCC(=O)N 34a_100000700252_100009817443 [0,1,0,0,0,0|3,0,0]=4 4691 B12R0.234 O=C(O)CNCCCCCCCO 269956a_100016091260_100000760002 [0,1,0,0,0,0|1,0,0]=2 4692 B12R0.234 O=C(O)COCCNCCCCF 269956a_100000700818_100000729493 [0,1,0,0,0,0|2,0,0]=3 4693 B12R0.234 O=C(O)COCCNCCCCO 269956a_100000700818_100000210776 [0,1,0,0,0,0|2,0,0]=3 4694 B12R0.234 O=C(O)COCCOCCNCF 269956a_100009854275_100015361967 [0,1,0,0,0,0|3,0,0]=4 4695 B12R0.234 O=C(O)CONCCCCCCF 269956a_100000106656_100015922095 [0,1,0,0,0,0|2,0,0]=3 4696 B12R0.234 O=C(O)CONCCCCCCO 269956a_100000106656_100000766143 [0,1,0,0,0,0|2,0,0]=3 4697 B12R0.234 O=C([O-])CCCCCOCCCF 7a_100102619762_100011934791 [0,1,0,0,0,0|1,0,1]=3 4698 B12R0.234 O=C([O-])CCCCCOCCCO 7a_100102619762_100011215043 [0,1,0,0,0,0|1,0,1]=3 4699 B12R0.234 O=C([O-])CNCCCCCCCO 34a_100011996573_100020667443 [0,1,0,0,0,0|1,0,1]=3 4700 B12R0.234 O=C([O-])CNCCCOCCCO 34a_100011310245_100020667443 [0,1,0,0,0,0|2,0,1]=4 4701 B12R0.234 O=C([O-])COCCCCCCCBr 34a_100000760002_100020667443 [0,1,0,0,0,0|1,0,1]=3 4702 B12R0.234 O=C([O-])CSCCCCCCCO 62a_100000760002_100020667443 [0,1,0,0,0,0|1,0,1]=3 4703 B12R0.234 O=C([O-])CSCCCCCCCO 62a_100020667443_100000760002 [0,1,0,0,0,0|1,0,1]=3 4704 B12R0.234 O=CCCCCCNOCC(=O)O 269956a_100000106656_100000139337 [0,1,0,0,0,0|2,0,1]=4 4705 B12R0.234 O=CCCCNCCOCC(=O)O 269956a_100000700818_200011292268 [0,1,0,0,0,0|2,0,1]=4 4706 B12R0.234 O=[N+]([O-])CCCCOCCCCF 34a_200015379883_100000729493 [0,1,0,0,0,0|2,0,1]=4 4707 B12R0.234 O=[N+]([O-])CCCCOCCCCF 7a_200015379883_100000729493 [0,1,0,0,0,0|2,0,1]=4 4708 B12R0.234 O=[N+]([O-])CCCCOCCCCO 34a_200015379883_100011216708 [0,1,0,0,0,0|2,0,1]=4 4709 B12R0.234 O=[N+]([O-])CCCCOCCCCO 7a_200015379883_100000210776 [0,1,0,0,0,0|2,0,1]=4 4710 B12R0.234 O=[N+]([O-])CCCOCCCCCF 34a_200000037920_100000729378 [0,1,0,0,0,0|2,0,1]=4 4711 B12R0.234 O=[N+]([O-])CCCOCCCCCO 34a_200000037920_100000746330 [0,1,0,0,0,0|2,0,1]=4 4712 B12R0.234 O=[N+]([O-])CNCCCCCCCO 34a_100011996573_100000761209 [0,1,0,0,0,0|2,0,1]=4 4713 B12R0.234 O=[N+]([O-])COCCCCCCCBr 34a_100000760002_100000761209 [0,1,0,0,0,0|2,0,1]=4 4714 B12R0.234 O=[N+]([O-])CSCCCCCCCO 62a_100000760002_100000761209 [0,1,0,0,0,0|2,0,1]=4 4715 B12R0.234 OB(O)CCCCCCNCCF 34a_100000724931_100009817187 [0,1,0,0,0,0|2,0,1]=4 4716 B12R0.234 OB(O)CCCCCCOCCBr 34a_100000211926_100009817187 [0,1,0,0,0,0|2,0,1]=4 4717 B12R0.234 OB(O)CCCCCCSCCF 62a_100009817187_100011217306 [0,1,0,0,0,0|2,0,1]=4 4718 B12R0.234 OB(O)CCCCCCSCCF 62a_100011217306_100009817187 [0,1,0,0,0,0|2,0,1]=4 4719 B12R0.234 OB(O)CCCCCNCCCF 2230a_100015189416_200009817188 [0,1,0,0,0,0|2,0,1]=4 4720 B12R0.234 OB(O)CCCCCNCCCF 34a_100015189416_200009817188 [0,1,0,0,0,0|2,0,1]=4 4721 B12R0.234 OB(O)CCCCCOCCCBr 34a_100011217188_200009817188 [0,1,0,0,0,0|2,0,1]=4 4722 B12R0.234 OB(O)CCCCCOCCCCl 34a_100000230001_200009817188 [0,1,0,0,0,0|2,0,1]=4 4723 B12R0.234 OB(O)CCCCCOCCCF 34a_100000759539_200009817188 [0,1,0,0,0,0|2,0,1]=4 4724 B12R0.234 OB(O)CCCCCSCCCF 62a_100011934791_200009817188 [0,1,0,0,0,0|2,0,1]=4 4725 B12R0.234 OB(O)CCCCCSCCCF 62a_200009817188_100011934791 [0,1,0,0,0,0|2,0,1]=4 4726 B12R0.234 OB(O)CCCCOCCCCBr 34a_100011216708_200009817182 [0,1,0,0,0,0|2,0,1]=4 4727 B12R0.234 OB(O)CCCCOCCCCCl 34a_100000210776_200009817182 [0,1,0,0,0,0|2,0,1]=4 4728 B12R0.234 OB(O)CCCCOCCCCCl 7a_100000210776_200009817182 [0,1,0,0,0,0|2,0,1]=4 4729 B12R0.234 OB(O)CCCCOCCCCF 34a_100011995726_200009817182 [0,1,0,0,0,0|2,0,1]=4 4730 B12R0.234 OB(O)CCCCOCCCCF 7a_100011995726_200009817182 [0,1,0,0,0,0|2,0,1]=4 4731 B12R0.234 OB(O)CCCCOCCCCI 34a_200012148704_200009817182 [0,1,0,0,0,0|2,0,1]=4 4732 B12R0.234 OB(O)CCCCSCCCCF 62a_100000729493_200009817182 [0,1,0,0,0,0|2,0,1]=4 4733 B12R0.234 OB(O)CCCCSCCCCF 62a_200009817182_100000729493 [0,1,0,0,0,0|2,0,1]=4 4734 B12R0.234 OCCCCNCCCCB(O)O 2230a_100000750430_200009817182 [0,1,0,0,0,0|2,0,1]=4 4735 B12R0.234 OCCCCNCCCCB(O)O 34a_100000750430_200009817182 [0,1,0,0,0,0|2,0,1]=4 4736 B12R0.234 OCCCCSCCCCB(O)O 62a_100000210776_200009817182 [0,1,0,0,0,0|2,0,1]=4 4737 B12R0.234 OCCCCSCCCCB(O)O 62a_200009817182_100000210776 [0,1,0,0,0,0|2,0,1]=4 4738 B12R0.234 OCCCSCCCCCB(O)O 62a_100011215043_200009817188 [0,1,0,0,0,0|2,0,1]=4 4739 B12R0.234 OCCCSCCCCCB(O)O 62a_200009817188_100011215043 [0,1,0,0,0,0|2,0,1]=4 4740 B12R0.234 OCCNCCCCCCB(O)O 2230a_100016997473_100009817187 [0,1,0,0,0,0|2,0,1]=4 4741 B12R0.234 OCCNCCCCCCB(O)O 34a_100016990907_100009817187 [0,1,0,0,0,0|2,0,1]=4 4742 B12R0.234 OCCSCCCCCCB(O)O 62a_100000211926_100009817187 [0,1,0,0,0,0|2,0,1]=4 4743 B12R0.234 OCCSCCCCCCB(O)O 62a_100009817187_100000211926 [0,1,0,0,0,0|2,0,1]=4 4744 B12R0.234 [13CH3]C(=O)CCCCCCCCCF 1458a_200009909015_200025704644 [0,1,0,0,0,0|1,0,0]=2 4745 B12R0.248 C#CC(=O)CCCC#CCCCC 1458a_100000211873_200000047210 [0,1,0,0,0,0|1,0,2]=4 4746 B12R0.248 C#CC(=O)CCCCCCCC=C 1458a_100000211873_100012355270 [0,1,0,0,0,0|1,0,2]=4 4747 B12R0.248 C#CC(=O)CCCCCCCCC 1458a_100000211873_100000210670 [0,1,0,0,0,0|1,0,0]=2 4748 B12R0.248 C#CC(=O)CCCCCCCCO 1458a_100000211873_100000033203 [0,1,0,0,0,0|2,0,0]=3 4749 B12R0.248 C#CC(O)CCCCCOCCC 34a_100000210258_200010408556 [0,1,0,0,0,0|2,0,1]=4 4750 B12R0.248 C#CC(O)CCCCCSCCC 62a_100000210303_200010408556 [0,1,0,0,0,0|2,0,1]=4 4751 B12R0.248 C#CC(O)CCCCCSCCC 62a_200010408556_100000210303 [0,1,0,0,0,0|2,0,1]=4 4752 B12R0.248 C#CCCCCCCCC(=O)C#C 1458a_100000211873_100153394163 [0,1,0,0,0,0|1,0,2]=4 4753 B12R0.248 C#CCCCCCCCC(=O)C=C 1458a_100000185746_100153394163 [0,1,0,0,0,0|1,0,2]=4 4754 B12R0.248 C#CCCCCCCCC(=O)CC 1458a_100000087357_100000210202 [0,1,0,0,0,0|1,0,2]=4 4755 B12R0.248 C#CCCCCCCCC(=O)CC 1458a_100000210414_100153394163 [0,1,0,0,0,0|1,0,2]=4 4756 B12R0.248 C#CCCCCCCCC(=O)CF 1458a_100000087357_100015361967 [0,1,0,0,0,0|1,0,2]=4 4757 B12R0.248 C#CCCCCCCCC(=O)CO 1458a_100000210174_100153394163 [0,1,0,0,0,0|0,0,2]=3 4758 B12R0.248 C#CCCCCCCCC(=O)NC 11a_106832991635_100000087357 [0,1,0,0,0,0|1,0,2]=4 4759 B12R0.248 C#CCCCCCCCC(=O)NC 1626a_100102657272_100000087357 [0,1,0,0,0,0|1,0,2]=4 4760 B12R0.248 C#CCCCCCCCC(=O)NC 240690a_100102657272_100000087357 [0,1,0,0,0,0|1,0,2]=4 4761 B12R0.248 C#CCCCCCCCC(=O)NC 527a_100102657272_100000087357 [0,1,0,0,0,0|1,0,2]=4 4762 B12R0.248 C#CCCCCCOCC(=O)OC 34a_100000766912_100000747449 [0,1,0,0,0,0|1,0,2]=4 4763 B12R0.248 C#CCCCCCOCC(=O)OC 7a_100000766912_100000747449 [0,1,0,0,0,0|1,0,2]=4 4764 B12R0.248 C#CCCCCCSCC(=O)OC 62a_100000747449_100012094781 [0,1,0,0,0,0|1,0,2]=4 4765 B12R0.248 C#CCCCCCSCC(=O)OC 62a_100012094781_100000747449 [0,1,0,0,0,0|1,0,2]=4 4766 B12R0.248 C#CCCCCNCCC(=O)OC 2230a_100000706060_100000204255 [0,1,0,0,0,0|1,0,2]=4 4767 B12R0.248 C#CCCCCNCCC(=O)OC 34a_100000706060_100000742370 [0,1,0,0,0,0|1,0,2]=4 4768 B12R0.248 C#CCCCCOCCC(=O)OC 34a_100000766709_100000742370 [0,1,0,0,0,0|1,0,2]=4 4769 B12R0.248 C#CCCCCOCCC(=O)OC 7a_100000766709_100000204255 [0,1,0,0,0,0|1,0,2]=4 4770 B12R0.248 C#CCCCCSCCC(=O)OC 62a_100000204255_100010269958 [0,1,0,0,0,0|1,0,2]=4 4771 B12R0.248 C#CCCCCSCCC(=O)OC 62a_100010269958_100000204255 [0,1,0,0,0,0|1,0,2]=4 4772 B12R0.248 C#CCCCNCCCC(=O)OC 34a_100000718082_100000742333 [0,1,0,0,0,0|1,0,2]=4 4773 B12R0.248 C#CCCCOCCCC(=O)OC 34a_100000215630_100000742333 [0,1,0,0,0,0|1,0,2]=4 4774 B12R0.248 C#CCCCOCCCC(=O)OC 7a_100000215630_100011218270 [0,1,0,0,0,0|1,0,2]=4 4775 B12R0.248 C#CCCCSCCCC(=O)OC 62a_100011215417_100011218270 [0,1,0,0,0,0|1,0,2]=4 4776 B12R0.248 C#CCCCSCCCC(=O)OC 62a_100011218270_100011215417 [0,1,0,0,0,0|1,0,2]=4 4777 B12R0.248 C#CCCNCCCCC(=O)OC 34a_100000755551_100000204269 [0,1,0,0,0,0|1,0,2]=4 4778 B12R0.248 C#CCCOCCCCC(=O)OC 34a_100000059025_100000688953 [0,1,0,0,0,0|1,0,2]=4 4779 B12R0.248 C#CCCOCCCCC(=O)OC 34a_100011215631_100000204269 [0,1,0,0,0,0|1,0,2]=4 4780 B12R0.248 C#CCCOCCCCC(=O)OC 7a_100000059025_100000688953 [0,1,0,0,0,0|1,0,2]=4 4781 B12R0.248 C#CCCSCCCCC(=O)OC 62a_100000204269_100000688953 [0,1,0,0,0,0|1,0,2]=4 4782 B12R0.248 C#CCCSCCCCC(=O)OC 62a_100000688953_100000204269 [0,1,0,0,0,0|1,0,2]=4 4783 B12R0.248 C#CCNCCCCCC(=O)OC 34a_100000212058_100009816466 [0,1,0,0,0,0|1,0,2]=4 4784 B12R0.248 C#CCOCCCCCC(=O)OC 34a_100000074720_100000184674 [0,1,0,0,0,0|1,0,2]=4 4785 B12R0.248 C#CCOCCCCCC(=O)OC 34a_100000210247_100009816466 [0,1,0,0,0,0|1,0,2]=4 4786 B12R0.248 C#CCOCCCCCC(=O)OC 7a_100000074720_100000038162 [0,1,0,0,0,0|1,0,2]=4 4787 B12R0.248 C#CCSCCCCCC(=O)OC 62a_100000038162_100009816466 [0,1,0,0,0,0|1,0,2]=4 4788 B12R0.248 C/C=C/CCOCCCC(=O)OC 34a_100016278192_100000742333 [0,1,0,0,0,0|1,0,2]=4 4789 B12R0.248 C/C=C/COCCCCC(=O)OC 34a_100000059025_100102629194 [0,1,0,0,0,0|1,0,2]=4 4790 B12R0.248 C/C=C/COCCCCC(=O)OC 34a_100016270725_100000204269 [0,1,0,0,0,0|1,0,2]=4 4791 B12R0.248 C/C=C/COCCCCC(=O)OC 7a_100000059025_100102629194 [0,1,0,0,0,0|1,0,2]=4 4792 B12R0.248 C/C=C/CSCCCCC(=O)OC 62a_100000204269_100102629194 [0,1,0,0,0,0|1,0,2]=4 4793 B12R0.248 C/C=C/CSCCCCC(=O)OC 62a_100102629194_100000204269 [0,1,0,0,0,0|1,0,2]=4 4794 B12R0.248 C=C(C#N)CNCCCCCCC 2230a_100000229938_100000694840 [0,1,0,0,0,0|3,0,0]=4 4795 B12R0.248 C=C(C#N)COCCCCCCC 34a_100000210272_100000694840 [0,1,0,0,0,0|3,0,0]=4 4796 B12R0.248 C=C(C#N)CSCCCCCCC 62a_100000210614_100000694840 [0,1,0,0,0,0|3,0,0]=4 4797 B12R0.248 C=CC(=O)CCCC#CCCCC 1458a_100000185746_200000047210 [0,1,0,0,0,0|1,0,2]=4 4798 B12R0.248 C=CC(=O)CCCCCCCCC 1458a_100000185746_100000210670 [0,1,0,0,0,0|1,0,0]=2 4799 B12R0.248 C=CC(=O)CCCCCCCCO 1458a_100000185746_100000033203 [0,1,0,0,0,0|2,0,0]=3 4800 B12R0.248 C=CC(=O)NCCCCCCCC 1626a_100000229939_100000185746 [0,1,0,0,0,0|2,0,0]=3 4801 B12R0.248 C=CC(=O)NCCCCCCCC 240690a_100000229939_200121576911 [0,1,0,0,0,0|2,0,0]=3 4802 B12R0.248 C=CC(=O)NCCCCCCCO 240690a_100011996573_200121576911 [0,1,0,0,0,0|3,0,0]=4 4803 B12R0.248 C=CC(=O)NCCCCOCCC 34a_100014118770_100000210303 [0,1,0,0,0,0|3,0,0]=4 4804 B12R0.248 C=CC(=O)NCCCOCCCC 1626a_200000211371_100000185746 [0,1,0,0,0,0|3,0,0]=4 4805 B12R0.248 C=CC(=O)NCCCOCCCC 240690a_200000211371_200121576911 [0,1,0,0,0,0|3,0,0]=4 4806 B12R0.248 C=CC(=O)NCCNCCCCC 2230a_114873766552_100000210326 [0,1,0,0,0,0|3,0,0]=4 4807 B12R0.248 C=CC(=O)NCCOCCCCC 34a_100011304386_100000718602 [0,1,0,0,0,0|3,0,0]=4 4808 B12R0.248 C=CC(=O)OCCCCCCNC 2230a_106832991635_100009894100 [0,1,0,0,0,0|3,0,0]=4 4809 B12R0.248 C=CC(=O)OCCCCCCNC 34a_100102657272_100009894100 [0,1,0,0,0,0|3,0,0]=4 4810 B12R0.248 C=CC(=O)OCCCCCCNC 7a_106832991635_100009894100 [0,1,0,0,0,0|3,0,0]=4 4811 B12R0.248 C=CC(=O)OCCCCCCOC 34a_100138415774_100009894100 [0,1,0,0,0,0|3,0,0]=4 4812 B12R0.248 C=CC(=O)OCCCCCCSC 62a_100009894100_200000210301 [0,1,0,0,0,0|3,0,0]=4 4813 B12R0.248 C=CC(=O)OCCCCCCSC 62a_200000210301_100009894100 [0,1,0,0,0,0|3,0,0]=4 4814 B12R0.248 C=CC(=O)OCCCCCCS[13CH3] 62a_100009894100_200025704644 [0,1,0,0,0,0|3,0,0]=4 4815 B12R0.248 C=CC(=O)OCCCCCCS[13CH3] 62a_200025704644_100009894100 [0,1,0,0,0,0|3,0,0]=4 4816 B12R0.248 C=CC(=O)OCCCCCOCC 7a_200011023508_100000210202 [0,1,0,0,0,0|3,0,0]=4 4817 B12R0.248 C=CC(=O)OCCNCCCCC 2230a_100000209983_100009813456 [0,1,0,0,0,0|3,0,0]=4 4818 B12R0.248 C=CC(=O)OCCOCCCCC 34a_100000210253_100009813456 [0,1,0,0,0,0|3,0,0]=4 4819 B12R0.248 C=CC(=O)OCCOCCCCC 7a_100000210253_100009813456 [0,1,0,0,0,0|3,0,0]=4 4820 B12R0.248 C=CC(=O)OCCSCCCCC 62a_100000210326_100009813456 [0,1,0,0,0,0|3,0,0]=4 4821 B12R0.248 C=CC(=O)OCCSCCCCC 62a_100009813456_100000210326 [0,1,0,0,0,0|3,0,0]=4 4822 B12R0.248 C=CC(O)CNCCCCCCC 2230a_100000229938_100000730141 [0,1,0,0,0,0|2,0,1]=4 4823 B12R0.248 C=CC(O)COCCCCCCC 34a_100000210272_100000730141 [0,1,0,0,0,0|2,0,1]=4 4824 B12R0.248 C=CC(O)COCCCCCCC 7a_100000210272_100000730141 [0,1,0,0,0,0|2,0,1]=4 4825 B12R0.248 C=CC(O)CSCCCCCCC 62a_100000210614_100000730141 [0,1,0,0,0,0|2,0,1]=4 4826 B12R0.248 C=CC(O)CSCCCCCCC 62a_100000730141_100000210316 [0,1,0,0,0,0|2,0,1]=4 4827 B12R0.248 C=CCCCCCCCC(=O)C=C 1458a_100000185746_100012355270 [0,1,0,0,0,0|1,0,2]=4 4828 B12R0.248 C=CCCCCCCCC(=O)CC 1458a_100000210414_100012355270 [0,1,0,0,0,0|1,0,2]=4 4829 B12R0.248 C=CCCCCCCCC(=O)CC 1458a_100011216160_100000210202 [0,1,0,0,0,0|1,0,2]=4 4830 B12R0.248 C=CCCCCCCCC(=O)CF 1458a_100011216160_100015361967 [0,1,0,0,0,0|1,0,2]=4 4831 B12R0.248 C=CCCCCCCCC(=O)CO 1458a_100000210174_100012355270 [0,1,0,0,0,0|0,0,2]=3 4832 B12R0.248 C=CCCCCCCCC(=O)NC 11a_106832991635_100011216160 [0,1,0,0,0,0|1,0,2]=4 4833 B12R0.248 C=CCCCCCCCC(=O)NC 1626a_100102657272_100011216160 [0,1,0,0,0,0|1,0,2]=4 4834 B12R0.248 C=CCCCCCCCC(=O)NC 240690a_100102657272_100011216160 [0,1,0,0,0,0|1,0,2]=4 4835 B12R0.248 C=CCCCCCCCC(=O)NC 527a_100102657272_100011216160 [0,1,0,0,0,0|1,0,2]=4 4836 B12R0.248 C=CCCCCCOCC(=O)OC 34a_100011216702_100000747449 [0,1,0,0,0,0|1,0,2]=4 4837 B12R0.248 C=CCCCCCOCC(=O)OC 7a_100011216702_100000747449 [0,1,0,0,0,0|1,0,2]=4 4838 B12R0.248 C=CCCCCCSCC(=O)OC 62a_100000700193_100000747449 [0,1,0,0,0,0|1,0,2]=4 4839 B12R0.248 C=CCCCCCSCC(=O)OC 62a_100000747449_100000700193 [0,1,0,0,0,0|1,0,2]=4 4840 B12R0.248 C=CCCCCNCCC(=O)OC 2230a_100000703577_100000204255 [0,1,0,0,0,0|1,0,2]=4 4841 B12R0.248 C=CCCCCNCCC(=O)OC 34a_100000703577_100000742370 [0,1,0,0,0,0|1,0,2]=4 4842 B12R0.248 C=CCCCCOCCC(=O)OC 34a_100000766645_100000742370 [0,1,0,0,0,0|1,0,2]=4 4843 B12R0.248 C=CCCCCOCCC(=O)OC 7a_100000766645_100000204255 [0,1,0,0,0,0|1,0,2]=4 4844 B12R0.248 C=CCCCCSCCC(=O)OC 62a_100000204255_100011215482 [0,1,0,0,0,0|1,0,2]=4 4845 B12R0.248 C=CCCCCSCCC(=O)OC 62a_100011215482_100000204255 [0,1,0,0,0,0|1,0,2]=4 4846 B12R0.248 C=CCCCNCCCC(=O)OC 2230a_100000700776_100011218270 [0,1,0,0,0,0|1,0,2]=4 4847 B12R0.248 C=CCCCNCCCC(=O)OC 34a_100000700776_100000742333 [0,1,0,0,0,0|1,0,2]=4 4848 B12R0.248 C=CCCCOCCCC(=O)OC 34a_100000758997_100000742333 [0,1,0,0,0,0|1,0,2]=4 4849 B12R0.248 C=CCCCOCCCC(=O)OC 7a_100000758997_100011218270 [0,1,0,0,0,0|1,0,2]=4 4850 B12R0.248 C=CCCCSCCCC(=O)OC 62a_100011218270_100000757094 [0,1,0,0,0,0|1,0,2]=4 4851 B12R0.248 C=CCCCSCCCC(=O)OC 62a_100011713584_100011218270 [0,1,0,0,0,0|1,0,2]=4 4852 B12R0.248 C=CCCNCCCCC(=O)OC 2230a_100015191253_100000204269 [0,1,0,0,0,0|1,0,2]=4 4853 B12R0.248 C=CCCOCCCCC(=O)OC 34a_100000059025_100000754431 [0,1,0,0,0,0|1,0,2]=4 4854 B12R0.248 C=CCCOCCCCC(=O)OC 34a_100011205117_100000204269 [0,1,0,0,0,0|1,0,2]=4 4855 B12R0.248 C=CCCOCCCCC(=O)OC 7a_100000059025_100000754431 [0,1,0,0,0,0|1,0,2]=4 4856 B12R0.248 C=CCCSCCCCC(=O)OC 62a_100000204269_100000754431 [0,1,0,0,0,0|1,0,2]=4 4857 B12R0.248 C=CCCSCCCCC(=O)OC 62a_100000754431_100000204269 [0,1,0,0,0,0|1,0,2]=4 4858 B12R0.248 C=CCNCCCCCC(=O)OC 2230a_100020586998_100009816466 [0,1,0,0,0,0|1,0,2]=4 4859 B12R0.248 C=CCOCCCCCC(=O)OC 34a_100000074720_100015514636 [0,1,0,0,0,0|1,0,2]=4 4860 B12R0.248 C=CCOCCCCCC(=O)OC 34a_200000210373_100009816466 [0,1,0,0,0,0|1,0,2]=4 4861 B12R0.248 C=CCOCCCCCC(=O)OC 7a_100000074720_100015514636 [0,1,0,0,0,0|1,0,2]=4 4862 B12R0.248 C=CCSCCCCCC(=O)OC 62a_100000210623_100009816466 [0,1,0,0,0,0|1,0,2]=4 4863 B12R0.248 C=CCSCCCCCC(=O)OC 62a_100009816466_100000210623 [0,1,0,0,0,0|1,0,2]=4 4864 B12R0.248 CC#CCCOCCCC(=O)OC 34a_100000750427_100000742333 [0,1,0,0,0,0|1,0,2]=4 4865 B12R0.248 CC#CCNCCCCC(=O)OC 2230a_100000685387_100000204269 [0,1,0,0,0,0|1,0,2]=4 4866 B12R0.248 CC#CCNCCCCC(=O)OC 34a_100000685387_100000204269 [0,1,0,0,0,0|1,0,2]=4 4867 B12R0.248 CC#CCOCCCCC(=O)OC 34a_100000059025_100000748600 [0,1,0,0,0,0|1,0,2]=4 4868 B12R0.248 CC#CCOCCCCC(=O)OC 34a_100000761923_100000204269 [0,1,0,0,0,0|1,0,2]=4 4869 B12R0.248 CC#CCOCCCCC(=O)OC 7a_100000059025_100000748600 [0,1,0,0,0,0|1,0,2]=4 4870 B12R0.248 CC#CCSCCCCC(=O)OC 62a_100000204269_100000748600 [0,1,0,0,0,0|1,0,2]=4 4871 B12R0.248 CC#CCSCCCCC(=O)OC 62a_100000748600_100000204269 [0,1,0,0,0,0|1,0,2]=4 4872 B12R0.248 CC/C=C/CCCOCC(=O)OC 34a_100016287902_100000747449 [0,1,0,0,0,0|1,0,2]=4 4873 B12R0.248 CC/C=C/CCCOCC(=O)OC 7a_100016287902_100000747449 [0,1,0,0,0,0|1,0,2]=4 4874 B12R0.248 CC/C=C\CCOCCC(=O)OC 34a_100016288707_100000742370 [0,1,0,0,0,0|1,0,2]=4 4875 B12R0.248 CC/C=C\CCOCCC(=O)OC 7a_100016288707_100000204255 [0,1,0,0,0,0|1,0,2]=4 4876 B12R0.248 CC/C=C\CCSCCC(=O)OC 62a_100000204255_100015370543 [0,1,0,0,0,0|1,0,2]=4 4877 B12R0.248 CC/C=C\CCSCCC(=O)OC 62a_100015370543_100000204255 [0,1,0,0,0,0|1,0,2]=4 4878 B12R0.248 CC/C=C\COCCCC(=O)OC 34a_100016268518_100000742333 [0,1,0,0,0,0|1,0,2]=4 4879 B12R0.248 CC/C=C\CSCCCC(=O)OC 62a_100011218270_100103147603 [0,1,0,0,0,0|1,0,2]=4 4880 B12R0.248 CC/C=C\CSCCCC(=O)OC 62a_100103147603_100011218270 [0,1,0,0,0,0|1,0,2]=4 4881 B12R0.248 CC=CCCCOCCC(=O)OC 34a_100020645299_100000742370 [0,1,0,0,0,0|1,0,2]=4 4882 B12R0.248 CC=CCOCCCCC(=O)OC 34a_100000059025_100000070051 [0,1,0,0,0,0|1,0,2]=4 4883 B12R0.248 CC=CCOCCCCC(=O)OC 7a_100000059025_100000070051 [0,1,0,0,0,0|1,0,2]=4 4884 B12R0.248 CC=CCSCCCCC(=O)OC 62a_100000070051_100000204269 [0,1,0,0,0,0|1,0,2]=4 4885 B12R0.248 CC=CCSCCCCC(=O)OC 62a_100000204269_100000070051 [0,1,0,0,0,0|1,0,2]=4 4886 B12R0.248 CCC#CCCOCCC(=O)OC 34a_100000036655_100000742370 [0,1,0,0,0,0|1,0,2]=4 4887 B12R0.248 CCC#CCCOCCC(=O)OC 7a_100000036655_100000204255 [0,1,0,0,0,0|1,0,2]=4 4888 B12R0.248 CCC#CCOCCCC(=O)OC 34a_100000032950_100000742333 [0,1,0,0,0,0|1,0,2]=4 4889 B12R0.248 CCC#CCSCCCC(=O)OC 62a_100009813939_100011218270 [0,1,0,0,0,0|1,0,2]=4 4890 B12R0.248 CCC#CCSCCCC(=O)OC 62a_100011218270_100009813939 [0,1,0,0,0,0|1,0,2]=4 4891 B12R0.248 CCC(=O)CCCCCCCCO 1458a_100000210414_100000033203 [0,1,0,0,0,0|2,0,0]=3 4892 B12R0.248 CCC(=O)COCCCCCCBr 7a_100011215345_100000747405 [0,1,0,0,0,0|3,0,0]=4 4893 B12R0.248 CCC(=O)COCCCCCCCl 7a_100000766143_100000747405 [0,1,0,0,0,0|3,0,0]=4 4894 B12R0.248 CCC(=O)COCCCCCCF 34a_100000725409_100015922095 [0,1,0,0,0,0|3,0,0]=4 4895 B12R0.248 CCC(=O)COCCCCCCF 7a_100000732779_100000747405 [0,1,0,0,0,0|3,0,0]=4 4896 B12R0.248 CCC(=O)COCCCCCCO 34a_100000725409_100000766143 [0,1,0,0,0,0|3,0,0]=4 4897 B12R0.248 CCC(=O)CSCCCCCCF 62a_100000747405_100015922095 [0,1,0,0,0,0|3,0,0]=4 4898 B12R0.248 CCC(=O)CSCCCCCCF 62a_100015922095_100000747405 [0,1,0,0,0,0|3,0,0]=4 4899 B12R0.248 CCC(=O)CSCCCCCCO 62a_100000747405_100000766143 [0,1,0,0,0,0|3,0,0]=4 4900 B12R0.248 CCC(=O)CSCCCCCCO 62a_100000766143_100000747405 [0,1,0,0,0,0|3,0,0]=4 4901 B12R0.248 CCC(=O)NCCCCCCCO 240690a_100011996573_100000210414 [0,1,0,0,0,0|3,0,0]=4 4902 B12R0.248 CCC/C=C/COCCC(=O)OC 34a_100016278788_100000742370 [0,1,0,0,0,0|1,0,2]=4 4903 B12R0.248 CCC/C=C/COCCC(=O)OC 7a_100016278788_100000204255 [0,1,0,0,0,0|1,0,2]=4 4904 B12R0.248 CCCC#CCCOCC(=O)OC 34a_100000042726_100000747449 [0,1,0,0,0,0|1,0,2]=4 4905 B12R0.248 CCCC#CCCOCC(=O)OC 7a_100000042726_100000747449 [0,1,0,0,0,0|1,0,2]=4 4906 B12R0.248 CCCC#CCOCCC(=O)OC 34a_100000034806_100000742370 [0,1,0,0,0,0|1,0,2]=4 4907 B12R0.248 CCCC#CCOCCC(=O)OC 7a_100000034806_100000204255 [0,1,0,0,0,0|1,0,2]=4 4908 B12R0.248 CCCC/C=C/COCC(=O)OC 34a_200016272032_100000747449 [0,1,0,0,0,0|1,0,2]=4 4909 B12R0.248 CCCC/C=C/COCC(=O)OC 7a_200016272032_100000747449 [0,1,0,0,0,0|1,0,2]=4 4910 B12R0.248 CCCCC#CCCCC(=O)CC 1458a_100000210414_200000047210 [0,1,0,0,0,0|1,0,2]=4 4911 B12R0.248 CCCCC#CCCCC(=O)CO 1458a_100000210174_200000047210 [0,1,0,0,0,0|0,0,2]=3 4912 B12R0.248 CCCCC#CCOCC(=O)OC 34a_200000034558_100000747449 [0,1,0,0,0,0|1,0,2]=4 4913 B12R0.248 CCCCC#CCOCC(=O)OC 7a_200000034558_100000747449 [0,1,0,0,0,0|1,0,2]=4 4914 B12R0.248 CCCCC/C=C/CCC(=O)CC 1458a_200015255902_100000210202 [0,1,0,0,0,0|1,0,2]=4 4915 B12R0.248 CCCCC/C=C/CCC(=O)CF 1458a_200015255902_100015361967 [0,1,0,0,0,0|1,0,2]=4 4916 B12R0.248 CCCCC/C=C/CCC(=O)NC 11a_106832991635_200015255902 [0,1,0,0,0,0|1,0,2]=4 4917 B12R0.248 CCCCC/C=C/CCC(=O)NC 1626a_100102657272_200015255902 [0,1,0,0,0,0|1,0,2]=4 4918 B12R0.248 CCCCC/C=C/CCC(=O)NC 240690a_100102657272_200015255902 [0,1,0,0,0,0|1,0,2]=4 4919 B12R0.248 CCCCC/C=C/CCC(=O)NC 527a_100102657272_200015255902 [0,1,0,0,0,0|1,0,2]=4 4920 B12R0.248 CCCCCC/C=C/CC(=O)CC 1458a_100020681715_100000210202 [0,1,0,0,0,0|1,0,2]=4 4921 B12R0.248 CCCCCC/C=C/CC(=O)CF 1458a_100020681715_100015361967 [0,1,0,0,0,0|1,0,2]=4 4922 B12R0.248 CCCCCC/C=C/CC(=O)NC 11a_106832991635_100020681715 [0,1,0,0,0,0|1,0,2]=4 4923 B12R0.248 CCCCCC/C=C/CC(=O)NC 1626a_100102657272_100020681715 [0,1,0,0,0,0|1,0,2]=4 4924 B12R0.248 CCCCCC/C=C/CC(=O)NC 240690a_100102657272_100020681715 [0,1,0,0,0,0|1,0,2]=4 4925 B12R0.248 CCCCCCCC=CC(=O)CC 1458a_200015332781_100000210202 [0,1,0,0,0,0|1,0,2]=4 4926 B12R0.248 CCCCCCCC=CC(=O)CF 1458a_200015332781_100015361967 [0,1,0,0,0,0|1,0,2]=4 4927 B12R0.248 CCCCCCCC=CC(=O)NC 11a_106832991635_200015332781 [0,1,0,0,0,0|1,0,2]=4 4928 B12R0.248 CCCCCCCC=CC(=O)NC 1626a_100102657272_200015332781 [0,1,0,0,0,0|1,0,2]=4 4929 B12R0.248 CCCCCCCC=CC(=O)NC 240690a_100102657272_200015332781 [0,1,0,0,0,0|1,0,2]=4 4930 B12R0.248 CCCCCCCCCC(=O)CC 1458a_100000210414_100000210670 [0,1,0,0,0,0|1,0,0]=2 4931 B12R0.248 CCCCCCCCCC(=O)CC 1458a_100000210558_100000210202 [0,1,0,0,0,0|1,0,0]=2 4932 B12R0.248 CCCCCCCCCC(=O)CF 1458a_100000210558_100015361967 [0,1,0,0,0,0|1,0,0]=2 4933 B12R0.248 CCCCCCCCCC(=O)CO 1458a_100000210174_100000210670 [0,1,0,0,0,0|0,0,0]=1 4934 B12R0.248 CCCCCCCCCC(=O)NC 11a_106832991635_100000210558 [0,1,0,0,0,0|1,0,0]=2 4935 B12R0.248 CCCCCCCCCC(=O)NC 1626a_100102657272_100000210558 [0,1,0,0,0,0|1,0,0]=2 4936 B12R0.248 CCCCCCCCCC(=O)NC 240690a_100102657272_100000210558 [0,1,0,0,0,0|1,0,0]=2 4937 B12R0.248 CCCCCCCCCC(=O)NC 527a_100102657272_100000210558 [0,1,0,0,0,0|1,0,0]=2 4938 B12R0.248 CCCCCCCCCC(C)NC 270004a_106832991635_100011215753 [0,1,0,0,0,0|2,0,1]=4 4939 B12R0.248 CCCCCCCCCC(C)OC 34a_100011218016_200000210301 [0,1,0,0,0,0|1,0,1]=3 4940 B12R0.248 CCCCCCCCCC(C)OC 7a_100011218016_200000210301 [0,1,0,0,0,0|1,0,1]=3 4941 B12R0.248 CCCCCCCCCC(C)O[13CH3] 34a_100011218016_200025704644 [0,1,0,0,0,0|1,0,1]=3 4942 B12R0.248 CCCCCCCCCC(C)O[13CH3] 7a_100011218016_200025704644 [0,1,0,0,0,0|1,0,1]=3 4943 B12R0.248 CCCCCCCCCN(C)CC 2230a_100000225621_100011214924 [0,1,0,0,0,0|3,0,0]=4 4944 B12R0.248 CCCCCCCCCN(C)CC 2230a_100000232482_100000210202 [0,1,0,0,0,0|3,0,0]=4 4945 B12R0.248 CCCCCCCCCN(C)CC 269982a_100000225621_100000210670 [0,1,0,0,0,0|3,0,0]=4 4946 B12R0.248 CCCCCCCCCN(C)CC 269982a_100000232482_100000204670 [0,1,0,0,0,0|3,0,0]=4 4947 B12R0.248 CCCCCCCCCN(C)CF 269982a_100000232482_100015361967 [0,1,0,0,0,0|3,0,0]=4 4948 B12R0.248 CCCCCCCCNC(=O)CC 11a_100000229939_100000210414 [0,1,0,0,0,0|2,0,0]=3 4949 B12R0.248 CCCCCCCCNC(=O)CC 1626a_100000229939_100000210414 [0,1,0,0,0,0|2,0,0]=3 4950 B12R0.248 CCCCCCCCNC(=O)CC 240690a_100000229939_100000210414 [0,1,0,0,0,0|2,0,0]=3 4951 B12R0.248 CCCCCCCCNC(=O)CC 527a_100000229939_100000210414 [0,1,0,0,0,0|2,0,0]=3 4952 B12R0.248 CCCCCCCCNC(=O)CO 240690a_100000229939_100000210174 [0,1,0,0,0,0|1,0,0]=2 4953 B12R0.248 CCCCCCCCNC(=O)CO 527a_100000229939_100000210174 [0,1,0,0,0,0|1,0,0]=2 4954 B12R0.248 CCCCCCCCNC(=O)NC 2708a_100000229939_106832991635 [0,1,0,0,0,0|2,0,0]=3 4955 B12R0.248 CCCCCCCCNC(=O)NC 2708a_100102657272_100000229939 [0,1,0,0,0,0|2,0,0]=3 4956 B12R0.248 CCCCCCCCNC(=O)NC 273464a_100000229939_100102657272 [0,1,0,0,0,0|2,0,0]=3 4957 B12R0.248 CCCCCCCCNC(=O)NC 273464a_100102657272_100000229939 [0,1,0,0,0,0|2,0,0]=3 4958 B12R0.248 CCCCCCCCNC(=O)NC 512a_100000229939_100102657272 [0,1,0,0,0,0|2,0,0]=3 4959 B12R0.248 CCCCCCCCNC(=O)NC 512a_106832991638_100000229939 [0,1,0,0,0,0|2,0,0]=3 4960 B12R0.248 CCCCCCCCNC(C)CO 2230a_100000229939_100012180447 [0,1,0,0,0,0|2,0,1]=4 4961 B12R0.248 CCCCCCCCNC(C)CO 34a_100000229939_100012180447 [0,1,0,0,0,0|2,0,1]=4 4962 B12R0.248 CCCCCCCCN[C@H](C)CO 2230a_100000737577_100000210759 [0,1,0,0,0,0|2,0,1]=4 4963 B12R0.248 CCCCCCCCOC(C)CO 34a_100000210232_100012180447 [0,1,0,0,0,0|2,0,1]=4 4964 B12R0.248 CCCCCCCCOC(C)CO 7a_100000210232_100012180447 [0,1,0,0,0,0|2,0,1]=4 4965 B12R0.248 CCCCCCCCSC(C)CO 62a_100012180447_100000210317 [0,1,0,0,0,0|2,0,1]=4 4966 B12R0.248 CCCCCCCCSC(C)OC 62a_100000210759_100009879195 [0,1,0,0,0,0|2,0,1]=4 4967 B12R0.248 CCCCCCCCSC(C)OC 62a_100009879195_100000210317 [0,1,0,0,0,0|2,0,1]=4 4968 B12R0.248 CCCCCCCCS[C@H](C)CO 62a_100000210759_100016084084 [0,1,0,0,0,0|2,0,1]=4 4969 B12R0.248 CCCCCCCCS[C@H](C)CO 62a_100016084084_100000210317 [0,1,0,0,0,0|2,0,1]=4 4970 B12R0.248 CCCCCCCNCC(=O)NC 2230a_100000229938_100000183359 [0,1,0,0,0,0|2,0,0]=3 4971 B12R0.248 CCCCCCCNCC(=O)NC 2230a_100000693194_100000210681 [0,1,0,0,0,0|2,0,0]=3 4972 B12R0.248 CCCCCCCNCC(=O)OC 2230a_100000229938_100000747449 [0,1,0,0,0,0|1,0,0]=2 4973 B12R0.248 CCCCCCCNCC(C)CO 34a_100000744482_100000210614 [0,1,0,0,0,0|2,0,1]=4 4974 B12R0.248 CCCCCCCNCC(O)CC 2230a_100000229938_100011218378 [0,1,0,0,0,0|2,0,1]=4 4975 B12R0.248 CCCCCCCNCC(O)CC 2230a_100011218483_100000210681 [0,1,0,0,0,0|2,0,1]=4 4976 B12R0.248 CCCCCCCNCC(O)CO 2230a_100000229938_100011219619 [0,1,0,0,0,0|1,0,2]=4 4977 B12R0.248 CCCCCCCNC[C@@H](C)CO 2230a_100000229938_100000059175 [0,1,0,0,0,0|2,0,1]=4 4978 B12R0.248 CCCCCCCNC[C@@H](C)OC 2230a_100020591295_100000210681 [0,1,0,0,0,0|2,0,1]=4 4979 B12R0.248 CCCCCCCNC[C@@H](F)CO 34a_100015665980_100000210614 [0,1,0,0,0,0|2,0,1]=4 4980 B12R0.248 CCCCCCCNC[C@@H](O)CF 2230a_100000229938_100015614560 [0,1,0,0,0,0|2,0,1]=4 4981 B12R0.248 CCCCCCCNC[C@@H](O)CO 2230a_100000229938_100009815848 [0,1,0,0,0,0|1,0,2]=4 4982 B12R0.248 CCCCCCCNC[C@H](O)CO 2230a_100020644852_100000210681 [0,1,0,0,0,0|1,0,2]=4 4983 B12R0.248 CCCCCCCOCC(=O)CC 34a_100000725409_100000210614 [0,1,0,0,0,0|2,0,0]=3 4984 B12R0.248 CCCCCCCOCC(=O)CC 7a_100000210272_100000747405 [0,1,0,0,0,0|2,0,0]=3 4985 B12R0.248 CCCCCCCOCC(=O)NC 34a_100000210272_100000183359 [0,1,0,0,0,0|2,0,0]=3 4986 B12R0.248 CCCCCCCOCC(=O)NC 34a_100000750040_100000210614 [0,1,0,0,0,0|2,0,0]=3 4987 B12R0.248 CCCCCCCOCC(=O)NC 7a_100000210272_100000183359 [0,1,0,0,0,0|2,0,0]=3 4988 B12R0.248 CCCCCCCOCC(=O)OC 34a_100000210272_100000747449 [0,1,0,0,0,0|1,0,0]=2 4989 B12R0.248 CCCCCCCOCC(=O)OC 7a_100000210272_100000747449 [0,1,0,0,0,0|1,0,0]=2 4990 B12R0.248 CCCCCCCOCC(C)OC 34a_100000690652_100000210614 [0,1,0,0,0,0|2,0,1]=4 4991 B12R0.248 CCCCCCCOCC(O)CC 34a_100000210272_100011218378 [0,1,0,0,0,0|2,0,1]=4 4992 B12R0.248 CCCCCCCOCC(O)CC 7a_100000210272_100011218378 [0,1,0,0,0,0|2,0,1]=4 4993 B12R0.248 CCCCCCCOCC(O)CO 34a_100000210272_100011219619 [0,1,0,0,0,0|1,0,2]=4 4994 B12R0.248 CCCCCCCOCC(O)CO 7a_100000210272_100011219619 [0,1,0,0,0,0|1,0,2]=4 4995 B12R0.248 CCCCCCCOC[C@@H](C)CO 34a_100000210272_100000059175 [0,1,0,0,0,0|2,0,1]=4 4996 B12R0.248 CCCCCCCOC[C@@H](C)CO 7a_100000210272_100000059175 [0,1,0,0,0,0|2,0,1]=4 4997 B12R0.248 CCCCCCCOC[C@@H](O)CF 34a_100000210272_100015614560 [0,1,0,0,0,0|2,0,1]=4 4998 B12R0.248 CCCCCCCOC[C@@H](O)CF 7a_100000210272_100015614560 [0,1,0,0,0,0|2,0,1]=4 4999 B12R0.248 CCCCCCCOC[C@@H](O)CO 34a_100000210272_100009815848 [0,1,0,0,0,0|1,0,2]=4 5000 B12R0.248 CCCCCCCOC[C@@H](O)CO 7a_100000210272_100009815848 [0,1,0,0,0,0|1,0,2]=4 5001 B12R0.248 CCCCCCCSCC(=O)CC 62a_100000210614_100000747405 [0,1,0,0,0,0|2,0,0]=3 5002 B12R0.248 CCCCCCCSCC(=O)CC 62a_100000747405_100000210316 [0,1,0,0,0,0|2,0,0]=3 5003 B12R0.248 CCCCCCCSCC(=O)NC 62a_100000183359_100000210316 [0,1,0,0,0,0|2,0,0]=3 5004 B12R0.248 CCCCCCCSCC(=O)NC 62a_100000210614_100000183359 [0,1,0,0,0,0|2,0,0]=3 5005 B12R0.248 CCCCCCCSCC(=O)OC 62a_100000210614_100000747449 [0,1,0,0,0,0|1,0,0]=2 5006 B12R0.248 CCCCCCCSCC(=O)OC 62a_100000747449_100000210316 [0,1,0,0,0,0|1,0,0]=2 5007 B12R0.248 CCCCCCCSCC(O)CC 62a_100000210614_100011218378 [0,1,0,0,0,0|2,0,1]=4 5008 B12R0.248 CCCCCCCSCC(O)CC 62a_100011218378_100000210316 [0,1,0,0,0,0|2,0,1]=4 5009 B12R0.248 CCCCCCCSCC(O)CO 62a_100000210614_100011219619 [0,1,0,0,0,0|1,0,2]=4 5010 B12R0.248 CCCCCCCSCC(O)CO 62a_100011219619_100000210316 [0,1,0,0,0,0|1,0,2]=4 5011 B12R0.248 CCCCCCCSC[C@@H](C)CO 62a_100000059175_100000210316 [0,1,0,0,0,0|2,0,1]=4 5012 B12R0.248 CCCCCCCSC[C@@H](C)CO 62a_100000210614_100000059175 [0,1,0,0,0,0|2,0,1]=4 5013 B12R0.248 CCCCCCCSC[C@@H](O)CF 62a_100000210614_100015614560 [0,1,0,0,0,0|2,0,1]=4 5014 B12R0.248 CCCCCCCSC[C@@H](O)CF 62a_100015614560_100000210316 [0,1,0,0,0,0|2,0,1]=4 5015 B12R0.248 CCCCCCCSC[C@@H](O)CO 62a_100000210614_100009815848 [0,1,0,0,0,0|1,0,2]=4 5016 B12R0.248 CCCCCCCSC[C@@H](O)CO 62a_100009815848_100000210316 [0,1,0,0,0,0|1,0,2]=4 5017 B12R0.248 CCCCCCNCCC(=O)NC 2230a_100000210581_100000737683 [0,1,0,0,0,0|2,0,0]=3 5018 B12R0.248 CCCCCCNCCC(=O)NC 2230a_100000738227_100000210314 [0,1,0,0,0,0|2,0,0]=3 5019 B12R0.248 CCCCCCNCCC(=O)NC 34a_100000738227_100000210314 [0,1,0,0,0,0|2,0,0]=3 5020 B12R0.248 CCCCCCNCCC(=O)OC 2230a_100000210581_100000204255 [0,1,0,0,0,0|1,0,0]=2 5021 B12R0.248 CCCCCCNCCC(C)CO 2230a_106354213184_100000210314 [0,1,0,0,0,0|2,0,1]=4 5022 B12R0.248 CCCCCCNCCC(C)CO 34a_106354213184_100000210314 [0,1,0,0,0,0|2,0,1]=4 5023 B12R0.248 CCCCCCOCCC(=NO)N 34a_100000749954_100000210314 [0,1,0,0,0,0|2,0,0]=3 5024 B12R0.248 CCCCCCOCCC(=O)NC 34a_100000210259_100012179268 [0,1,0,0,0,0|2,0,0]=3 5025 B12R0.248 CCCCCCOCCC(=O)NC 34a_100000754576_100000210314 [0,1,0,0,0,0|2,0,0]=3 5026 B12R0.248 CCCCCCOCCC(=O)NC 7a_100000210259_100000737683 [0,1,0,0,0,0|2,0,0]=3 5027 B12R0.248 CCCCCCOCCC(=O)OC 34a_100000210259_100000742370 [0,1,0,0,0,0|1,0,0]=2 5028 B12R0.248 CCCCCCOCCC(=O)OC 7a_100000210259_100000204255 [0,1,0,0,0,0|1,0,0]=2 5029 B12R0.248 CCCCCCOCCC(C)OC 7a_100000764861_100000210314 [0,1,0,0,0,0|2,0,1]=4 5030 B12R0.248 CCCCCCSCCC(=O)NC 62a_100000210314_100000737683 [0,1,0,0,0,0|2,0,0]=3 5031 B12R0.248 CCCCCCSCCC(=O)NC 62a_100000737683_100000210757 [0,1,0,0,0,0|2,0,0]=3 5032 B12R0.248 CCCCCCSCCC(=O)OC 62a_100000204255_100000210757 [0,1,0,0,0,0|1,0,0]=2 5033 B12R0.248 CCCCCCSCCC(=O)OC 62a_100000210314_100000204255 [0,1,0,0,0,0|1,0,0]=2 5034 B12R0.248 CCCCCCSCOC(=O)OC 62a_100000210314_100000139417 [0,1,0,0,0,0|2,0,0]=3 5035 B12R0.248 CCCCCNC/C=C/C(=O)OC 2230a_100000209983_100000742655 [0,1,0,0,0,0|1,0,2]=4 5036 B12R0.248 CCCCCNCCCC(=O)NC 2230a_100000209983_100000741757 [0,1,0,0,0,0|2,0,0]=3 5037 B12R0.248 CCCCCNCCCC(=O)NC 2230a_100000740002_100000210326 [0,1,0,0,0,0|2,0,0]=3 5038 B12R0.248 CCCCCNCCCC(=O)NC 34a_100000740002_100000718602 [0,1,0,0,0,0|2,0,0]=3 5039 B12R0.248 CCCCCNCCCC(=O)OC 2230a_100000209983_100011218270 [0,1,0,0,0,0|1,0,0]=2 5040 B12R0.248 CCCCCNCCNC(=O)CC 34a_100132302217_100000718602 [0,1,0,0,0,0|3,0,0]=4 5041 B12R0.248 CCCCCNCCNC(=O)NC 34a_100015205895_100000718602 [0,1,0,0,0,0|3,0,0]=4 5042 B12R0.248 CCCCCNN=CCC(=O)OC 4a_100000694160_200011552997 [0,1,0,0,0,0|2,0,1]=4 5043 B12R0.248 CCCCCOC/C=C/C(=O)OC 34a_100000210253_100000742655 [0,1,0,0,0,0|1,0,2]=4 5044 B12R0.248 CCCCCOC/C=C/C(=O)OC 7a_100000210253_100000742655 [0,1,0,0,0,0|1,0,2]=4 5045 B12R0.248 CCCCCOCCCC(=O)NC 34a_100000210253_100000741757 [0,1,0,0,0,0|2,0,0]=3 5046 B12R0.248 CCCCCOCCCC(=O)NC 7a_100000210253_100000741757 [0,1,0,0,0,0|2,0,0]=3 5047 B12R0.248 CCCCCOCCCC(=O)NN 34a_100000211488_100000718602 [0,1,0,0,0,0|2,0,0]=3 5048 B12R0.248 CCCCCOCCCC(=O)OC 34a_100000210253_100000742333 [0,1,0,0,0,0|1,0,0]=2 5049 B12R0.248 CCCCCOCCCC(=O)OC 7a_100000210253_100011218270 [0,1,0,0,0,0|1,0,0]=2 5050 B12R0.248 CCCCCOCCNC(=O)CC 34a_200000158885_100000718602 [0,1,0,0,0,0|3,0,0]=4 5051 B12R0.248 CCCCCOCCNC(=O)CC 7a_200000158885_100000210326 [0,1,0,0,0,0|3,0,0]=4 5052 B12R0.248 CCCCCOCCNC(=O)OC 34a_100000757965_100000718602 [0,1,0,0,0,0|2,0,0]=3 5053 B12R0.248 CCCCCOCCOC(=O)CC 7a_200000031056_100000210326 [0,1,0,0,0,0|3,0,0]=4 5054 B12R0.248 CCCCCOCCOC(=O)NC 34a_100000210253_200011997002 [0,1,0,0,0,0|3,0,0]=4 5055 B12R0.248 CCCCCOCCOC(=O)NC 7a_100000210253_200011997002 [0,1,0,0,0,0|3,0,0]=4 5056 B12R0.248 CCCCCOCCOC(=O)OC 34a_100010262106_100000718602 [0,1,0,0,0,0|2,0,0]=3 5057 B12R0.248 CCCCCSC/C=C/C(=O)OC 62a_100000210326_100000742655 [0,1,0,0,0,0|1,0,2]=4 5058 B12R0.248 CCCCCSC/C=C/C(=O)OC 62a_100000742655_100000210326 [0,1,0,0,0,0|1,0,2]=4 5059 B12R0.248 CCCCCSCCCC(=O)NC 62a_100000210326_100000741757 [0,1,0,0,0,0|2,0,0]=3 5060 B12R0.248 CCCCCSCCCC(=O)NC 62a_100000741757_100000210326 [0,1,0,0,0,0|2,0,0]=3 5061 B12R0.248 CCCCCSCCCC(=O)OC 62a_100000210326_100011218270 [0,1,0,0,0,0|1,0,0]=2 5062 B12R0.248 CCCCCSCCCC(=O)OC 62a_100011218270_100000210326 [0,1,0,0,0,0|1,0,0]=2 5063 B12R0.248 CCCCCSCCOC(=O)NC 62a_100000210326_200011997002 [0,1,0,0,0,0|3,0,0]=4 5064 B12R0.248 CCCCCSCCOC(=O)NC 62a_200011997002_100000210326 [0,1,0,0,0,0|3,0,0]=4 5065 B12R0.248 CCCCNCCCCC(=O)OC 2230a_100000102301_100000204269 [0,1,0,0,0,0|1,0,0]=2 5066 B12R0.248 CCCCNCCCCC(=O)OC 7a_106832991798_100000204269 [0,1,0,0,0,0|1,0,0]=2 5067 B12R0.248 CCCCNCCOCC(=O)OC 2230a_100000102301_100000090808 [0,1,0,0,0,0|2,0,0]=3 5068 B12R0.248 CCCCNCCOCC(=O)OC 7a_106832991798_100000090808 [0,1,0,0,0,0|2,0,0]=3 5069 B12R0.248 CCCCNN=CCCC(=O)OC 4a_100025702795_100012047195 [0,1,0,0,0,0|2,0,1]=4 5070 B12R0.248 CCCCOCCCCC(=O)OC 34a_100000059025_100000210210 [0,1,0,0,0,0|1,0,0]=2 5071 B12R0.248 CCCCOCCCCC(=O)OC 34a_100000210227_100000204269 [0,1,0,0,0,0|1,0,0]=2 5072 B12R0.248 CCCCOCCCCC(=O)OC 7a_100000059025_100000210211 [0,1,0,0,0,0|1,0,0]=2 5073 B12R0.248 CCCCOCCCCC(=O)OC 7a_100000210227_100000204269 [0,1,0,0,0,0|1,0,0]=2 5074 B12R0.248 CCCCOCCCNC(=O)CC 1626a_200000211371_100000210414 [0,1,0,0,0,0|3,0,0]=4 5075 B12R0.248 CCCCOCCCNC(=O)CC 240690a_200000211371_100000210414 [0,1,0,0,0,0|3,0,0]=4 5076 B12R0.248 CCCCOCCCNC(=O)CC 527a_200000211371_100000210414 [0,1,0,0,0,0|3,0,0]=4 5077 B12R0.248 CCCCOCCCNC(=O)CO 240690a_200000211371_100000210174 [0,1,0,0,0,0|2,0,0]=3 5078 B12R0.248 CCCCOCCCNC(=O)CO 527a_200000211371_100000210174 [0,1,0,0,0,0|2,0,0]=3 5079 B12R0.248 CCCCOCCCNC(=O)NC 2708a_100102657272_200000211371 [0,1,0,0,0,0|3,0,0]=4 5080 B12R0.248 CCCCOCCCNC(=O)NC 2708a_200000211371_106832991635 [0,1,0,0,0,0|3,0,0]=4 5081 B12R0.248 CCCCOCCCNC(=O)NC 273464a_100102657272_200000211371 [0,1,0,0,0,0|3,0,0]=4 5082 B12R0.248 CCCCOCCCNC(=O)NC 273464a_200000211371_100102657272 [0,1,0,0,0,0|3,0,0]=4 5083 B12R0.248 CCCCOCCCNC(=O)NC 512a_106832991638_200000211371 [0,1,0,0,0,0|3,0,0]=4 5084 B12R0.248 CCCCOCCCNC(=O)NC 512a_200000211371_100102657272 [0,1,0,0,0,0|3,0,0]=4 5085 B12R0.248 CCCCOCCNCC(=O)NC 2230a_100000693194_100000743108 [0,1,0,0,0,0|3,0,0]=4 5086 B12R0.248 CCCCOCCOCC(=O)CC 1458a_100011216887_100000210202 [0,1,0,0,0,0|3,0,0]=4 5087 B12R0.248 CCCCOCCOCC(=O)CC 34a_100000725409_100000743108 [0,1,0,0,0,0|3,0,0]=4 5088 B12R0.248 CCCCOCCOCC(=O)CC 7a_100000210238_100000747405 [0,1,0,0,0,0|3,0,0]=4 5089 B12R0.248 CCCCOCCOCC(=O)CF 1458a_100011216887_100015361967 [0,1,0,0,0,0|3,0,0]=4 5090 B12R0.248 CCCCOCCOCC(=O)NC 11a_106832991635_100011216887 [0,1,0,0,0,0|3,0,0]=4 5091 B12R0.248 CCCCOCCOCC(=O)NC 1626a_100102657272_100011216887 [0,1,0,0,0,0|3,0,0]=4 5092 B12R0.248 CCCCOCCOCC(=O)NC 240690a_100102657272_100011216887 [0,1,0,0,0,0|3,0,0]=4 5093 B12R0.248 CCCCOCCOCC(=O)NC 34a_100000210238_100000183359 [0,1,0,0,0,0|3,0,0]=4 5094 B12R0.248 CCCCOCCOCC(=O)NC 34a_100000750040_100000743108 [0,1,0,0,0,0|3,0,0]=4 5095 B12R0.248 CCCCOCCOCC(=O)NC 527a_100102657272_100011216887 [0,1,0,0,0,0|3,0,0]=4 5096 B12R0.248 CCCCOCCOCC(=O)NC 7a_100000210238_100000183359 [0,1,0,0,0,0|3,0,0]=4 5097 B12R0.248 CCCCOCCOCC(=O)OC 34a_100000210227_100000090808 [0,1,0,0,0,0|2,0,0]=3 5098 B12R0.248 CCCCOCCOCC(=O)OC 34a_100000210238_100000747449 [0,1,0,0,0,0|2,0,0]=3 5099 B12R0.248 CCCCOCCOCC(=O)OC 7a_100000210227_100000090808 [0,1,0,0,0,0|2,0,0]=3 5100 B12R0.248 CCCCOCCOCC(=O)OC 7a_100000210238_100000747449 [0,1,0,0,0,0|2,0,0]=3 5101 B12R0.248 CCCCOCCSCC(=O)CC 62a_100000743108_100000747405 [0,1,0,0,0,0|3,0,0]=4 5102 B12R0.248 CCCCOCCSCC(=O)CC 62a_100000747405_100000743108 [0,1,0,0,0,0|3,0,0]=4 5103 B12R0.248 CCCCOCCSCC(=O)NC 62a_100000183359_100000743108 [0,1,0,0,0,0|3,0,0]=4 5104 B12R0.248 CCCCOCCSCC(=O)NC 62a_100000743108_100000183359 [0,1,0,0,0,0|3,0,0]=4 5105 B12R0.248 CCCCOCCSCC(=O)OC 62a_100000743108_100000747449 [0,1,0,0,0,0|2,0,0]=3 5106 B12R0.248 CCCCOCCSCC(=O)OC 62a_100000747449_100000743108 [0,1,0,0,0,0|2,0,0]=3 5107 B12R0.248 CCCCOCNCCC(=O)NC 2230a_100000738227_100011995733 [0,1,0,0,0,0|3,0,0]=4 5108 B12R0.248 CCCCOCNCCC(=O)NC 34a_100000738227_100011995733 [0,1,0,0,0,0|3,0,0]=4 5109 B12R0.248 CCCCOCOCCC(=NO)N 34a_100000749954_100011995733 [0,1,0,0,0,0|3,0,0]=4 5110 B12R0.248 CCCCOCOCCC(=O)NC 34a_100000754576_100011995733 [0,1,0,0,0,0|3,0,0]=4 5111 B12R0.248 CCCCOCSCCC(=O)NC 62a_100000737683_100011995733 [0,1,0,0,0,0|3,0,0]=4 5112 B12R0.248 CCCCOCSCCC(=O)NC 62a_100011995733_100000737683 [0,1,0,0,0,0|3,0,0]=4 5113 B12R0.248 CCCCOCSCCC(=O)OC 62a_100000204255_100011995733 [0,1,0,0,0,0|2,0,0]=3 5114 B12R0.248 CCCCOCSCCC(=O)OC 62a_100011995733_100000204255 [0,1,0,0,0,0|2,0,0]=3 5115 B12R0.248 CCCCOCSCOC(=O)OC 62a_100011995733_100000139417 [0,1,0,0,0,0|3,0,0]=4 5116 B12R0.248 CCCCSCCCCC(=O)OC 62a_100000204269_100000210210 [0,1,0,0,0,0|1,0,0]=2 5117 B12R0.248 CCCCSCCCCC(=O)OC 62a_100000210211_100000204269 [0,1,0,0,0,0|1,0,0]=2 5118 B12R0.248 CCCCSCCNCC(=O)NC 2230a_100025743550_100000183359 [0,1,0,0,0,0|3,0,0]=4 5119 B12R0.248 CCCCSCCNCC(=O)OC 2230a_100025743550_100000747449 [0,1,0,0,0,0|2,0,0]=3 5120 B12R0.248 CCCCSCCOCC(=O)CC 7a_200000230436_100000747405 [0,1,0,0,0,0|3,0,0]=4 5121 B12R0.248 CCCCSCCOCC(=O)NC 34a_200000230436_100000183359 [0,1,0,0,0,0|3,0,0]=4 5122 B12R0.248 CCCCSCCOCC(=O)NC 7a_200000230436_100000183359 [0,1,0,0,0,0|3,0,0]=4 5123 B12R0.248 CCCCSCCOCC(=O)OC 34a_200000230436_100000747449 [0,1,0,0,0,0|2,0,0]=3 5124 B12R0.248 CCCCSCCOCC(=O)OC 62a_100000090808_100000210210 [0,1,0,0,0,0|2,0,0]=3 5125 B12R0.248 CCCCSCCOCC(=O)OC 62a_100000210211_100000090808 [0,1,0,0,0,0|2,0,0]=3 5126 B12R0.248 CCCCSCCOCC(=O)OC 7a_200000230436_100000747449 [0,1,0,0,0,0|2,0,0]=3 5127 B12R0.248 CCCNN=CCCCC(=O)OC 4a_100000740057_100000094087 [0,1,0,0,0,0|2,0,1]=4 5128 B12R0.248 CCCOCCCCCC(=O)OC 34a_100000074720_100000210303 [0,1,0,0,0,0|1,0,0]=2 5129 B12R0.248 CCCOCCCCCC(=O)OC 34a_100000210258_100009816466 [0,1,0,0,0,0|1,0,0]=2 5130 B12R0.248 CCCOCCCCCC(=O)OC 7a_100000074720_100000210303 [0,1,0,0,0,0|1,0,0]=2 5131 B12R0.248 CCCOCCCNCC(=O)NC 2230a_100011217757_100000183359 [0,1,0,0,0,0|3,0,0]=4 5132 B12R0.248 CCCOCCCNCC(=O)NC 34a_100011217757_100000183359 [0,1,0,0,0,0|3,0,0]=4 5133 B12R0.248 CCCOCCCNCC(=O)OC 2230a_100011217757_100000747449 [0,1,0,0,0,0|2,0,0]=3 5134 B12R0.248 CCCOCCCNCC(=O)OC 34a_100011217757_100000747449 [0,1,0,0,0,0|2,0,0]=3 5135 B12R0.248 CCCOCCNCCC(=O)NC 2230a_100000738227_100011215938 [0,1,0,0,0,0|3,0,0]=4 5136 B12R0.248 CCCOCCNCCC(=O)NC 2230a_100161115042_100000737683 [0,1,0,0,0,0|3,0,0]=4 5137 B12R0.248 CCCOCCNCCC(=O)NC 34a_100000738227_100011215938 [0,1,0,0,0,0|3,0,0]=4 5138 B12R0.248 CCCOCCNCCC(=O)NC 34a_100161115042_100012179268 [0,1,0,0,0,0|3,0,0]=4 5139 B12R0.248 CCCOCCNCCC(=O)OC 2230a_100161115042_100000204255 [0,1,0,0,0,0|2,0,0]=3 5140 B12R0.248 CCCOCCNCCC(=O)OC 34a_100161115042_100000742370 [0,1,0,0,0,0|2,0,0]=3 5141 B12R0.248 CCCOCCOCCC(=NO)N 34a_100000749954_100011215938 [0,1,0,0,0,0|3,0,0]=4 5142 B12R0.248 CCCOCCOCCC(=O)NC 34a_100000752267_100012179268 [0,1,0,0,0,0|3,0,0]=4 5143 B12R0.248 CCCOCCOCCC(=O)NC 34a_100000754576_100011215938 [0,1,0,0,0,0|3,0,0]=4 5144 B12R0.248 CCCOCCOCCC(=O)NC 7a_100000752267_100000737683 [0,1,0,0,0,0|3,0,0]=4 5145 B12R0.248 CCCOCCOCCC(=O)OC 34a_100000752267_100000742370 [0,1,0,0,0,0|2,0,0]=3 5146 B12R0.248 CCCOCCOCCC(=O)OC 7a_100000752267_100000204255 [0,1,0,0,0,0|2,0,0]=3 5147 B12R0.248 CCCOCCSCCC(=O)NC 62a_100000737683_100011215938 [0,1,0,0,0,0|3,0,0]=4 5148 B12R0.248 CCCOCCSCCC(=O)NC 62a_100011215938_100000737683 [0,1,0,0,0,0|3,0,0]=4 5149 B12R0.248 CCCOCCSCCC(=O)OC 62a_100000204255_100011215938 [0,1,0,0,0,0|2,0,0]=3 5150 B12R0.248 CCCOCCSCCC(=O)OC 62a_100011215938_100000204255 [0,1,0,0,0,0|2,0,0]=3 5151 B12R0.248 CCCOCCSCOC(=O)OC 62a_100011215938_100000139417 [0,1,0,0,0,0|3,0,0]=4 5152 B12R0.248 CCCSCCCCCC(=O)OC 62a_100000210303_100009816466 [0,1,0,0,0,0|1,0,0]=2 5153 B12R0.248 CCCSCCCCCC(=O)OC 62a_100009816466_100000210303 [0,1,0,0,0,0|1,0,0]=2 5154 B12R0.248 CCCSCCNCCC(=O)NC 2230a_100020603323_100000737683 [0,1,0,0,0,0|3,0,0]=4 5155 B12R0.248 CCCSCCNCCC(=O)OC 2230a_100020603323_100000204255 [0,1,0,0,0,0|2,0,0]=3 5156 B12R0.248 CCCSCCOCCC(=O)NC 34a_200000230433_100012179268 [0,1,0,0,0,0|3,0,0]=4 5157 B12R0.248 CCCSCCOCCC(=O)NC 7a_200000230433_100000737683 [0,1,0,0,0,0|3,0,0]=4 5158 B12R0.248 CCCSCCOCCC(=O)OC 34a_200000230433_100000742370 [0,1,0,0,0,0|2,0,0]=3 5159 B12R0.248 CCCSCCOCCC(=O)OC 7a_200000230433_100000204255 [0,1,0,0,0,0|2,0,0]=3 5160 B12R0.248 CCNCCCCCCC(=O)OC 2230a_100015525214_100009815986 [0,1,0,0,0,0|1,0,0]=2 5161 B12R0.248 CCNN=CCCCCC(=O)OC 4a_100000756455_100000052768 [0,1,0,0,0,0|2,0,1]=4 5162 B12R0.248 CCOCCCCCCC(=O)OC 34a_100009863599_100000210202 [0,1,0,0,0,0|1,0,0]=2 5163 B12R0.248 CCOCCCCCCC(=O)OC 34a_100121572206_100009815986 [0,1,0,0,0,0|1,0,0]=2 5164 B12R0.248 CCOCCCCCCC(=O)OC 7a_100009863599_100000210202 [0,1,0,0,0,0|1,0,0]=2 5165 B12R0.248 CCOCCCNCCC(=O)NC 2230a_100000210961_100000737683 [0,1,0,0,0,0|3,0,0]=4 5166 B12R0.248 CCOCCCNCCC(=O)NC 2230a_100000738227_100012232248 [0,1,0,0,0,0|3,0,0]=4 5167 B12R0.248 CCOCCCNCCC(=O)NC 34a_100000210961_100012179268 [0,1,0,0,0,0|3,0,0]=4 5168 B12R0.248 CCOCCCNCCC(=O)NC 34a_100000738227_100012232248 [0,1,0,0,0,0|3,0,0]=4 5169 B12R0.248 CCOCCCNCCC(=O)OC 2230a_100000210961_100000204255 [0,1,0,0,0,0|2,0,0]=3 5170 B12R0.248 CCOCCCNCCC(=O)OC 34a_100000210961_100000742370 [0,1,0,0,0,0|2,0,0]=3 5171 B12R0.248 CCOCCCOCCC(=NO)N 34a_100000749954_100012232248 [0,1,0,0,0,0|3,0,0]=4 5172 B12R0.248 CCOCCCOCCC(=O)NC 34a_100000754576_100012232248 [0,1,0,0,0,0|3,0,0]=4 5173 B12R0.248 CCOCCCOCCC(=O)NC 34a_100000757476_100012179268 [0,1,0,0,0,0|3,0,0]=4 5174 B12R0.248 CCOCCCOCCC(=O)NC 7a_100000757476_100000737683 [0,1,0,0,0,0|3,0,0]=4 5175 B12R0.248 CCOCCCOCCC(=O)OC 34a_100000757476_100000742370 [0,1,0,0,0,0|2,0,0]=3 5176 B12R0.248 CCOCCCOCCC(=O)OC 7a_100000757476_100000204255 [0,1,0,0,0,0|2,0,0]=3 5177 B12R0.248 CCOCCCSCCC(=O)NC 62a_100000737683_100012232248 [0,1,0,0,0,0|3,0,0]=4 5178 B12R0.248 CCOCCCSCCC(=O)NC 62a_100012232248_100000737683 [0,1,0,0,0,0|3,0,0]=4 5179 B12R0.248 CCOCCCSCCC(=O)OC 62a_100000204255_100012232248 [0,1,0,0,0,0|2,0,0]=3 5180 B12R0.248 CCOCCCSCCC(=O)OC 62a_100012232248_100000204255 [0,1,0,0,0,0|2,0,0]=3 5181 B12R0.248 CCOCCCSCOC(=O)OC 62a_100012232248_100000139417 [0,1,0,0,0,0|3,0,0]=4 5182 B12R0.248 CCOCCNCCCC(=O)NC 2230a_100000740002_100011215890 [0,1,0,0,0,0|3,0,0]=4 5183 B12R0.248 CCOCCNCCCC(=O)NC 2230a_102516460346_100000741757 [0,1,0,0,0,0|3,0,0]=4 5184 B12R0.248 CCOCCNCCCC(=O)NC 34a_100000740002_100000210147 [0,1,0,0,0,0|3,0,0]=4 5185 B12R0.248 CCOCCNCCCC(=O)NC 34a_102516460346_100000741757 [0,1,0,0,0,0|3,0,0]=4 5186 B12R0.248 CCOCCNCCCC(=O)OC 2230a_102516460346_100011218270 [0,1,0,0,0,0|2,0,0]=3 5187 B12R0.248 CCOCCNCCCC(=O)OC 34a_102516460346_100000742333 [0,1,0,0,0,0|2,0,0]=3 5188 B12R0.248 CCOCCOCCCC(=O)NC 34a_100000210136_100000741757 [0,1,0,0,0,0|3,0,0]=4 5189 B12R0.248 CCOCCOCCCC(=O)NC 7a_100000210136_100000741757 [0,1,0,0,0,0|3,0,0]=4 5190 B12R0.248 CCOCCOCCCC(=O)NN 34a_100000211488_100000210147 [0,1,0,0,0,0|3,0,0]=4 5191 B12R0.248 CCOCCOCCCC(=O)OC 34a_100000210136_100000742333 [0,1,0,0,0,0|2,0,0]=3 5192 B12R0.248 CCOCCOCCCC(=O)OC 7a_100000210136_100011218270 [0,1,0,0,0,0|2,0,0]=3 5193 B12R0.248 CCOCCOCCNC(=O)CO 240690a_100102712874_100000210174 [0,1,0,0,0,0|3,0,0]=4 5194 B12R0.248 CCOCCOCCNC(=O)CO 527a_100102712874_100000210174 [0,1,0,0,0,0|3,0,0]=4 5195 B12R0.248 CCOCCOCCNC(=O)OC 34a_100000757965_100000210147 [0,1,0,0,0,0|3,0,0]=4 5196 B12R0.248 CCOCCOCCOC(=O)OC 34a_100010262106_100000210147 [0,1,0,0,0,0|3,0,0]=4 5197 B12R0.248 CCOCCSCCCC(=O)NC 62a_100000210147_100000741757 [0,1,0,0,0,0|3,0,0]=4 5198 B12R0.248 CCOCCSCCCC(=O)NC 62a_100000741757_100011215890 [0,1,0,0,0,0|3,0,0]=4 5199 B12R0.248 CCOCCSCCCC(=O)OC 62a_100000210147_100011218270 [0,1,0,0,0,0|2,0,0]=3 5200 B12R0.248 CCOCCSCCCC(=O)OC 62a_100011218270_100011215890 [0,1,0,0,0,0|2,0,0]=3 5201 B12R0.248 CCOCSCCCCC(=O)OC 62a_100000204269_100000739092 [0,1,0,0,0,0|2,0,0]=3 5202 B12R0.248 CCOCSCCCCC(=O)OC 62a_100000739092_100000204269 [0,1,0,0,0,0|2,0,0]=3 5203 B12R0.248 CCOCSCCOCC(=O)OC 62a_100000090808_100000739092 [0,1,0,0,0,0|3,0,0]=4 5204 B12R0.248 CCOCSCCOCC(=O)OC 62a_100000739092_100000090808 [0,1,0,0,0,0|3,0,0]=4 5205 B12R0.248 CCSCCCCCCC(=O)OC 62a_100000210202_100009815986 [0,1,0,0,0,0|1,0,0]=2 5206 B12R0.248 CCSCCCCCCC(=O)OC 62a_100009815986_100000210202 [0,1,0,0,0,0|1,0,0]=2 5207 B12R0.248 CCSCCCOCCC(=O)NC 34a_100011216438_100012179268 [0,1,0,0,0,0|3,0,0]=4 5208 B12R0.248 CCSCCCOCCC(=O)NC 7a_100011216438_100000737683 [0,1,0,0,0,0|3,0,0]=4 5209 B12R0.248 CCSCCCOCCC(=O)OC 34a_100011216438_100000742370 [0,1,0,0,0,0|2,0,0]=3 5210 B12R0.248 CCSCCCOCCC(=O)OC 7a_100011216438_100000204255 [0,1,0,0,0,0|2,0,0]=3 5211 B12R0.248 CCSCCNCCCC(=O)NC 2230a_100000106463_100000741757 [0,1,0,0,0,0|3,0,0]=4 5212 B12R0.248 CCSCCNCCCC(=O)NC 2230a_100000740002_100000757381 [0,1,0,0,0,0|3,0,0]=4 5213 B12R0.248 CCSCCNCCCC(=O)NC 34a_100000740002_100000757381 [0,1,0,0,0,0|3,0,0]=4 5214 B12R0.248 CCSCCNCCCC(=O)OC 2230a_100000106463_100011218270 [0,1,0,0,0,0|2,0,0]=3 5215 B12R0.248 CCSCCOCCCC(=O)NC 34a_100000212035_100000741757 [0,1,0,0,0,0|3,0,0]=4 5216 B12R0.248 CCSCCOCCCC(=O)NC 7a_100000212035_100000741757 [0,1,0,0,0,0|3,0,0]=4 5217 B12R0.248 CCSCCOCCCC(=O)NN 34a_100000211488_100000757381 [0,1,0,0,0,0|3,0,0]=4 5218 B12R0.248 CCSCCOCCCC(=O)OC 34a_100000212035_100000742333 [0,1,0,0,0,0|2,0,0]=3 5219 B12R0.248 CCSCCOCCCC(=O)OC 7a_100000212035_100011218270 [0,1,0,0,0,0|2,0,0]=3 5220 B12R0.248 CCSCCOCCNC(=O)OC 34a_100000757965_100000757381 [0,1,0,0,0,0|3,0,0]=4 5221 B12R0.248 CCSCCOCCOC(=O)OC 34a_100010262106_100000757381 [0,1,0,0,0,0|3,0,0]=4 5222 B12R0.248 CCSCCSCCCC(=O)NC 62a_100000741757_100000757381 [0,1,0,0,0,0|3,0,0]=4 5223 B12R0.248 CCSCCSCCCC(=O)NC 62a_100000757381_100000741757 [0,1,0,0,0,0|3,0,0]=4 5224 B12R0.248 CCSCCSCCCC(=O)OC 62a_100000757381_100011218270 [0,1,0,0,0,0|2,0,0]=3 5225 B12R0.248 CCSCCSCCCC(=O)OC 62a_100011218270_100000757381 [0,1,0,0,0,0|2,0,0]=3 5226 B12R0.248 CNC(=O)CCCCCCCCO 240690a_100102657272_100000015970 [0,1,0,0,0,0|2,0,0]=3 5227 B12R0.248 CNC(=O)CCCNCCCCF 2230a_100000740002_100000729493 [0,1,0,0,0,0|3,0,0]=4 5228 B12R0.248 CNC(=O)CCCNCCCCF 34a_100000740002_100000729493 [0,1,0,0,0,0|3,0,0]=4 5229 B12R0.248 CNC(=O)CCCNCCCCO 2230a_100000740002_100000210776 [0,1,0,0,0,0|3,0,0]=4 5230 B12R0.248 CNC(=O)CCCNCCCCO 2230a_100000750430_100000741757 [0,1,0,0,0,0|3,0,0]=4 5231 B12R0.248 CNC(=O)CCCNCCCCO 34a_100000740002_100011216708 [0,1,0,0,0,0|3,0,0]=4 5232 B12R0.248 CNC(=O)CCCNCCCCO 34a_100000750430_100000741757 [0,1,0,0,0,0|3,0,0]=4 5233 B12R0.248 CNC(=O)CCCNCCCOC 2230a_100000740002_100000740836 [0,1,0,0,0,0|3,0,0]=4 5234 B12R0.248 CNC(=O)CCCNCCCOC 34a_100000740002_100000740836 [0,1,0,0,0,0|3,0,0]=4 5235 B12R0.248 CNC(=O)CCCNCCCOC 34a_100150723488_100000741757 [0,1,0,0,0,0|3,0,0]=4 5236 B12R0.248 CNC(=O)CCCNCCCSC 2230a_100000749238_100000741757 [0,1,0,0,0,0|3,0,0]=4 5237 B12R0.248 CNC(=O)CCCOCCCCBr 34a_100011216708_100000741757 [0,1,0,0,0,0|3,0,0]=4 5238 B12R0.248 CNC(=O)CCCOCCCCCl 34a_100000210776_100000741757 [0,1,0,0,0,0|3,0,0]=4 5239 B12R0.248 CNC(=O)CCCOCCCCCl 7a_100000210776_100000741757 [0,1,0,0,0,0|3,0,0]=4 5240 B12R0.248 CNC(=O)CCCOCCCCF 34a_100011995726_100000741757 [0,1,0,0,0,0|3,0,0]=4 5241 B12R0.248 CNC(=O)CCCOCCCCF 7a_100011995726_100000741757 [0,1,0,0,0,0|3,0,0]=4 5242 B12R0.248 CNC(=O)CCCOCCCCI 34a_200012148704_100000741757 [0,1,0,0,0,0|3,0,0]=4 5243 B12R0.248 CNC(=O)CCCOCCCCN 34a_100000750430_100000741757 [0,1,0,0,0,0|3,0,0]=4 5244 B12R0.248 CNC(=O)CCCOCCCOC 34a_100000740835_100000741757 [0,1,0,0,0,0|3,0,0]=4 5245 B12R0.248 CNC(=O)CCCOCCCSC 34a_100000690336_100000741757 [0,1,0,0,0,0|3,0,0]=4 5246 B12R0.248 CNC(=O)CCCOCCCSC 7a_100000690336_100000741757 [0,1,0,0,0,0|3,0,0]=4 5247 B12R0.248 CNC(=O)CCCSCCCCF 62a_100000729493_100000741757 [0,1,0,0,0,0|3,0,0]=4 5248 B12R0.248 CNC(=O)CCCSCCCCF 62a_100000741757_100000729493 [0,1,0,0,0,0|3,0,0]=4 5249 B12R0.248 CNC(=O)CCCSCCCCO 62a_100000210776_100000741757 [0,1,0,0,0,0|3,0,0]=4 5250 B12R0.248 CNC(=O)CCCSCCCCO 62a_100000741757_100000210776 [0,1,0,0,0,0|3,0,0]=4 5251 B12R0.248 CNC(=O)CCCSCCCOC 62a_100000709357_100000741757 [0,1,0,0,0,0|3,0,0]=4 5252 B12R0.248 CNC(=O)CCCSCCCOC 62a_100000741757_100000709357 [0,1,0,0,0,0|3,0,0]=4 5253 B12R0.248 CNC(=O)CCNCCCCCF 2230a_100000738227_100000729378 [0,1,0,0,0,0|3,0,0]=4 5254 B12R0.248 CNC(=O)CCNCCCCCF 34a_100000738227_100000729378 [0,1,0,0,0,0|3,0,0]=4 5255 B12R0.248 CNC(=O)CCNCCCCCO 2230a_100000738227_100000746330 [0,1,0,0,0,0|3,0,0]=4 5256 B12R0.248 CNC(=O)CCNCCCCCO 2230a_100000762737_100000737683 [0,1,0,0,0,0|3,0,0]=4 5257 B12R0.248 CNC(=O)CCNCCCCCO 34a_100000738227_100000746330 [0,1,0,0,0,0|3,0,0]=4 5258 B12R0.248 CNC(=O)CCNCCCCCO 34a_100000762737_100012179268 [0,1,0,0,0,0|3,0,0]=4 5259 B12R0.248 CNC(=O)CCNCCCCOC 2230a_100000738227_100000730899 [0,1,0,0,0,0|3,0,0]=4 5260 B12R0.248 CNC(=O)CCNCCCCOC 34a_100000738227_100000755781 [0,1,0,0,0,0|3,0,0]=4 5261 B12R0.248 CNC(=O)CCOCCCCCBr 34a_100000746331_100012179268 [0,1,0,0,0,0|3,0,0]=4 5262 B12R0.248 CNC(=O)CCOCCCCCBr 7a_100000746331_100000737683 [0,1,0,0,0,0|3,0,0]=4 5263 B12R0.248 CNC(=O)CCOCCCCCCl 34a_100000746330_100012179268 [0,1,0,0,0,0|3,0,0]=4 5264 B12R0.248 CNC(=O)CCOCCCCCCl 7a_100000746330_100000737683 [0,1,0,0,0,0|3,0,0]=4 5265 B12R0.248 CNC(=O)CCOCCCCCF 34a_100000754576_100000729378 [0,1,0,0,0,0|3,0,0]=4 5266 B12R0.248 CNC(=O)CCOCCCCCI 34a_200012148887_100012179268 [0,1,0,0,0,0|3,0,0]=4 5267 B12R0.248 CNC(=O)CCOCCCCCI 7a_200012148887_100000737683 [0,1,0,0,0,0|3,0,0]=4 5268 B12R0.248 CNC(=O)CCOCCCCCN 34a_100000762737_100012179268 [0,1,0,0,0,0|3,0,0]=4 5269 B12R0.248 CNC(=O)CCOCCCCCO 34a_100000754576_100000746330 [0,1,0,0,0,0|3,0,0]=4 5270 B12R0.248 CNC(=O)CCOCCCCOC 34a_100000740925_100012179268 [0,1,0,0,0,0|3,0,0]=4 5271 B12R0.248 CNC(=O)CCOCCCCOC 34a_100000754576_100000755781 [0,1,0,0,0,0|3,0,0]=4 5272 B12R0.248 CNC(=O)CCOCCCCSC 34a_100011217163_100012179268 [0,1,0,0,0,0|3,0,0]=4 5273 B12R0.248 CNC(=O)CCOCCCCSC 7a_100011217163_100000737683 [0,1,0,0,0,0|3,0,0]=4 5274 B12R0.248 CNC(=O)CCSCCCCCF 62a_100000729378_100000737683 [0,1,0,0,0,0|3,0,0]=4 5275 B12R0.248 CNC(=O)CCSCCCCCF 62a_100000737683_100000729378 [0,1,0,0,0,0|3,0,0]=4 5276 B12R0.248 CNC(=O)CCSCCCCCO 62a_100000737683_100000746330 [0,1,0,0,0,0|3,0,0]=4 5277 B12R0.248 CNC(=O)CCSCCCCCO 62a_100000746330_100000737683 [0,1,0,0,0,0|3,0,0]=4 5278 B12R0.248 CNC(=O)CCSCCCCOC 62a_100000730899_100000737683 [0,1,0,0,0,0|3,0,0]=4 5279 B12R0.248 CNC(=O)CCSCCCCOC 62a_100000737683_100000730899 [0,1,0,0,0,0|3,0,0]=4 5280 B12R0.248 CNC(=O)CNCCCCCCF 2230a_100000693194_100015922095 [0,1,0,0,0,0|3,0,0]=4 5281 B12R0.248 CNC(=O)CNCCCCCCO 2230a_100000686447_100000183359 [0,1,0,0,0,0|3,0,0]=4 5282 B12R0.248 CNC(=O)CNCCCCCCO 2230a_100000693194_100000766143 [0,1,0,0,0,0|3,0,0]=4 5283 B12R0.248 CNC(=O)CNCCCCCCO 34a_100000686447_100000183359 [0,1,0,0,0,0|3,0,0]=4 5284 B12R0.248 CNC(=O)CNCCCCCOC 2230a_100000747528_100000183359 [0,1,0,0,0,0|3,0,0]=4 5285 B12R0.248 CNC(=O)CNCCCCCOC 34a_100000747528_100000183359 [0,1,0,0,0,0|3,0,0]=4 5286 B12R0.248 CNC(=O)COCCCCCCBr 34a_100011215345_100000183359 [0,1,0,0,0,0|3,0,0]=4 5287 B12R0.248 CNC(=O)COCCCCCCBr 7a_100011215345_100000183359 [0,1,0,0,0,0|3,0,0]=4 5288 B12R0.248 CNC(=O)COCCCCCCCl 34a_100000766143_100000183359 [0,1,0,0,0,0|3,0,0]=4 5289 B12R0.248 CNC(=O)COCCCCCCCl 7a_100000766143_100000183359 [0,1,0,0,0,0|3,0,0]=4 5290 B12R0.248 CNC(=O)COCCCCCCF 34a_100000732779_100000183359 [0,1,0,0,0,0|3,0,0]=4 5291 B12R0.248 CNC(=O)COCCCCCCF 34a_100000750040_100015922095 [0,1,0,0,0,0|3,0,0]=4 5292 B12R0.248 CNC(=O)COCCCCCCF 7a_100000732779_100000183359 [0,1,0,0,0,0|3,0,0]=4 5293 B12R0.248 CNC(=O)COCCCCCCN 34a_100000686447_100000183359 [0,1,0,0,0,0|3,0,0]=4 5294 B12R0.248 CNC(=O)COCCCCCCO 34a_100000750040_100000766143 [0,1,0,0,0,0|3,0,0]=4 5295 B12R0.248 CNC(=O)CSCCCCCCF 62a_100000183359_100015922095 [0,1,0,0,0,0|3,0,0]=4 5296 B12R0.248 CNC(=O)CSCCCCCCF 62a_100015922095_100000183359 [0,1,0,0,0,0|3,0,0]=4 5297 B12R0.248 CNC(=O)CSCCCCCCO 62a_100000183359_100000766143 [0,1,0,0,0,0|3,0,0]=4 5298 B12R0.248 CNC(=O)CSCCCCCCO 62a_100000766143_100000183359 [0,1,0,0,0,0|3,0,0]=4 5299 B12R0.248 CNC(=O)NCCCCCCCO 2708a_100011996573_106832991635 [0,1,0,0,0,0|3,0,0]=4 5300 B12R0.248 CNC(=O)NCCCCCCCO 2708a_100102657272_100011996573 [0,1,0,0,0,0|3,0,0]=4 5301 B12R0.248 CNC(=O)NCCCCCCCO 273464a_100011996573_100102657272 [0,1,0,0,0,0|3,0,0]=4 5302 B12R0.248 CNC(=O)NCCCCCCCO 273464a_100102657272_100011996573 [0,1,0,0,0,0|3,0,0]=4 5303 B12R0.248 CNC(=O)NCCCCCCCO 512a_100011996573_100102657272 [0,1,0,0,0,0|3,0,0]=4 5304 B12R0.248 CNC(=O)NCCCCCCCO 512a_106832991638_100011996573 [0,1,0,0,0,0|3,0,0]=4 5305 B12R0.248 CNCCCCCCCC(=O)OC 2230a_106832991635_100010004213 [0,1,0,0,0,0|1,0,0]=2 5306 B12R0.248 CNCCCCCCCC(=O)OC 34a_100102657272_100010004213 [0,1,0,0,0,0|1,0,0]=2 5307 B12R0.248 CNCCCCCCCC(=O)OC 7a_106832991635_100010004213 [0,1,0,0,0,0|1,0,0]=2 5308 B12R0.248 CNCCCCCOCC(=O)NC 34a_100000722520_100000183359 [0,1,0,0,0,0|3,0,0]=4 5309 B12R0.248 CNCCCCCOCC(=O)OC 34a_100000722520_100000747449 [0,1,0,0,0,0|2,0,0]=3 5310 B12R0.248 CNCCCOCCCC(=O)NC 34a_100000213112_100000741757 [0,1,0,0,0,0|3,0,0]=4 5311 B12R0.248 CNCCCOCCCC(=O)OC 34a_100000213112_100000742333 [0,1,0,0,0,0|2,0,0]=3 5312 B12R0.248 CNCCOCCOCC(=O)OC 34a_100000228057_100000747449 [0,1,0,0,0,0|3,0,0]=4 5313 B12R0.248 COC(=O)CCCCCCCO[13CH3] 34a_100011022521_200025704644 [0,1,0,0,0,0|1,0,0]=2 5314 B12R0.248 COC(=O)CCCCCCCO[13CH3] 7a_100011022521_200025704644 [0,1,0,0,0,0|1,0,0]=2 5315 B12R0.248 COC(=O)CCCCCCCSC 62a_100010004213_200000210301 [0,1,0,0,0,0|1,0,0]=2 5316 B12R0.248 COC(=O)CCCCCCCSC 62a_200000210301_100010004213 [0,1,0,0,0,0|1,0,0]=2 5317 B12R0.248 COC(=O)CCCCCCCS[13CH3] 62a_100010004213_200025704644 [0,1,0,0,0,0|1,0,0]=2 5318 B12R0.248 COC(=O)CCCCCCCS[13CH3] 62a_200025704644_100010004213 [0,1,0,0,0,0|1,0,0]=2 5319 B12R0.248 COC(=O)CCCCCCOCF 34a_100009863599_100015361967 [0,1,0,0,0,0|2,0,0]=3 5320 B12R0.248 COC(=O)CCCCCCOCF 7a_100009863599_100015361967 [0,1,0,0,0,0|2,0,0]=3 5321 B12R0.248 COC(=O)CCCCCCSCF 62a_100009815986_100015361967 [0,1,0,0,0,0|2,0,0]=3 5322 B12R0.248 COC(=O)CCCCCCSCF 62a_100015361967_100009815986 [0,1,0,0,0,0|2,0,0]=3 5323 B12R0.248 COC(=O)CCCCCNCCF 34a_100000724931_100009816466 [0,1,0,0,0,0|2,0,0]=3 5324 B12R0.248 COC(=O)CCCCCNCCO 2230a_100016997473_100009816466 [0,1,0,0,0,0|2,0,0]=3 5325 B12R0.248 COC(=O)CCCCCNCCO 34a_100016990907_100009816466 [0,1,0,0,0,0|2,0,0]=3 5326 B12R0.248 COC(=O)CCCCCOCC#N 7a_100000074720_100011215382 [0,1,0,0,0,0|2,0,1]=4 5327 B12R0.248 COC(=O)CCCCCOCC=O 34a_100000074720_200009817547 [0,1,0,0,0,0|2,0,1]=4 5328 B12R0.248 COC(=O)CCCCCOCC=O 7a_100000074720_200015260668 [0,1,0,0,0,0|2,0,1]=4 5329 B12R0.248 COC(=O)CCCCCOCCBr 34a_100000211926_100009816466 [0,1,0,0,0,0|2,0,0]=3 5330 B12R0.248 COC(=O)CCCCCOCCF 34a_100000074720_100011217306 [0,1,0,0,0,0|2,0,0]=3 5331 B12R0.248 COC(=O)CCCCCOCCF 7a_100000074720_100011217306 [0,1,0,0,0,0|2,0,0]=3 5332 B12R0.248 COC(=O)CCCCCOCCN 34a_100000210304_100009816466 [0,1,0,0,0,0|2,0,0]=3 5333 B12R0.248 COC(=O)CCCCCOCCO 34a_100000074720_100000211926 [0,1,0,0,0,0|2,0,0]=3 5334 B12R0.248 COC(=O)CCCCCOCCO 7a_100000074720_100000211926 [0,1,0,0,0,0|2,0,0]=3 5335 B12R0.248 COC(=O)CCCCCOCSC 34a_100000074720_100011218213 [0,1,0,0,0,0|2,0,0]=3 5336 B12R0.248 COC(=O)CCCCCSCC#N 62a_100009816466_100011215382 [0,1,0,0,0,0|2,0,1]=4 5337 B12R0.248 COC(=O)CCCCCSCC#N 62a_100011215382_100009816466 [0,1,0,0,0,0|2,0,1]=4 5338 B12R0.248 COC(=O)CCCCCSCC=O 62a_100009816466_200015260668 [0,1,0,0,0,0|2,0,1]=4 5339 B12R0.248 COC(=O)CCCCCSCC=O 62a_200015260668_100009816466 [0,1,0,0,0,0|2,0,1]=4 5340 B12R0.248 COC(=O)CCCCCSCCF 62a_100009816466_100011217306 [0,1,0,0,0,0|2,0,0]=3 5341 B12R0.248 COC(=O)CCCCCSCCF 62a_100011217306_100009816466 [0,1,0,0,0,0|2,0,0]=3 5342 B12R0.248 COC(=O)CCCCCSCCO 62a_100000211926_100009816466 [0,1,0,0,0,0|2,0,0]=3 5343 B12R0.248 COC(=O)CCCCCSCCO 62a_100009816466_100000211926 [0,1,0,0,0,0|2,0,0]=3 5344 B12R0.248 COC(=O)CCCCCSCSC 62a_100009816466_100011218213 [0,1,0,0,0,0|2,0,0]=3 5345 B12R0.248 COC(=O)CCCCCSCSC 62a_100011218213_100009816466 [0,1,0,0,0,0|2,0,0]=3 5346 B12R0.248 COC(=O)CCCCNCCCF 2230a_100015189416_100000204269 [0,1,0,0,0,0|2,0,0]=3 5347 B12R0.248 COC(=O)CCCCNCCCF 34a_100015189416_100000204269 [0,1,0,0,0,0|2,0,0]=3 5348 B12R0.248 COC(=O)CCCCNCCSC 2230a_100020590264_100000204269 [0,1,0,0,0,0|2,0,0]=3 5349 B12R0.248 COC(=O)CCCCOCCC#N 7a_100000059025_100000184422 [0,1,0,0,0,0|2,0,1]=4 5350 B12R0.248 COC(=O)CCCCOCCCBr 34a_100011217188_100000204269 [0,1,0,0,0,0|2,0,0]=3 5351 B12R0.248 COC(=O)CCCCOCCCCl 34a_100000230001_100000204269 [0,1,0,0,0,0|2,0,0]=3 5352 B12R0.248 COC(=O)CCCCOCCCF 34a_100000059025_100011934791 [0,1,0,0,0,0|2,0,0]=3 5353 B12R0.248 COC(=O)CCCCOCCCF 34a_100000759539_100000204269 [0,1,0,0,0,0|2,0,0]=3 5354 B12R0.248 COC(=O)CCCCOCCCF 7a_100000059025_100011934791 [0,1,0,0,0,0|2,0,0]=3 5355 B12R0.248 COC(=O)CCCCOCCCN 34a_100000182051_100000204269 [0,1,0,0,0,0|2,0,0]=3 5356 B12R0.248 COC(=O)CCCCOCCCO 34a_100000059025_100000230001 [0,1,0,0,0,0|2,0,0]=3 5357 B12R0.248 COC(=O)CCCCOCCCO 7a_100000059025_100011215043 [0,1,0,0,0,0|2,0,0]=3 5358 B12R0.248 COC(=O)CCCCOCCON 34a_100000700252_100000204269 [0,1,0,0,0,0|3,0,0]=4 5359 B12R0.248 COC(=O)CCCCOCCSC 34a_100000059025_100000212216 [0,1,0,0,0,0|2,0,0]=3 5360 B12R0.248 COC(=O)CCCCOCCSC 34a_100000230434_100000204269 [0,1,0,0,0,0|2,0,0]=3 5361 B12R0.248 COC(=O)CCCCOCCSC 7a_100000059025_100000212216 [0,1,0,0,0,0|2,0,0]=3 5362 B12R0.248 COC(=O)CCCCOCCSC 7a_100000230434_100000204269 [0,1,0,0,0,0|2,0,0]=3 5363 B12R0.248 COC(=O)CCCCSCCC#N 62a_100000204269_100011215226 [0,1,0,0,0,0|2,0,1]=4 5364 B12R0.248 COC(=O)CCCCSCCC#N 62a_100011215226_100000204269 [0,1,0,0,0,0|2,0,1]=4 5365 B12R0.248 COC(=O)CCCCSCCCF 62a_100000204269_100011934791 [0,1,0,0,0,0|2,0,0]=3 5366 B12R0.248 COC(=O)CCCCSCCCF 62a_100011934791_100000204269 [0,1,0,0,0,0|2,0,0]=3 5367 B12R0.248 COC(=O)CCCCSCCCO 62a_100000204269_100011215043 [0,1,0,0,0,0|2,0,0]=3 5368 B12R0.248 COC(=O)CCCCSCCCO 62a_100011215043_100000204269 [0,1,0,0,0,0|2,0,0]=3 5369 B12R0.248 COC(=O)CCCCSCCSC 62a_100000204269_100000751147 [0,1,0,0,0,0|2,0,0]=3 5370 B12R0.248 COC(=O)CCCCSCCSC 62a_100000212216_100000204269 [0,1,0,0,0,0|2,0,0]=3 5371 B12R0.248 COC(=O)CCCNCCCCO 2230a_100000750430_100011218270 [0,1,0,0,0,0|2,0,0]=3 5372 B12R0.248 COC(=O)CCCNCCCCO 34a_100000750430_100000742333 [0,1,0,0,0,0|2,0,0]=3 5373 B12R0.248 COC(=O)CCCNCCCSC 2230a_100000749238_100011218270 [0,1,0,0,0,0|2,0,0]=3 5374 B12R0.248 COC(=O)CCCOCCCCBr 34a_100011216708_100000742333 [0,1,0,0,0,0|2,0,0]=3 5375 B12R0.248 COC(=O)CCCOCCCCCl 34a_100000210776_100000742333 [0,1,0,0,0,0|2,0,0]=3 5376 B12R0.248 COC(=O)CCCOCCCCCl 7a_100000210776_100011218270 [0,1,0,0,0,0|2,0,0]=3 5377 B12R0.248 COC(=O)CCCOCCCCF 34a_100011995726_100000742333 [0,1,0,0,0,0|2,0,0]=3 5378 B12R0.248 COC(=O)CCCOCCCCF 7a_100011995726_100011218270 [0,1,0,0,0,0|2,0,0]=3 5379 B12R0.248 COC(=O)CCCOCCCCI 34a_200012148704_100000742333 [0,1,0,0,0,0|2,0,0]=3 5380 B12R0.248 COC(=O)CCCOCCCCN 34a_100000750430_100000742333 [0,1,0,0,0,0|2,0,0]=3 5381 B12R0.248 COC(=O)CCCOCCCSC 34a_100000690336_100000742333 [0,1,0,0,0,0|2,0,0]=3 5382 B12R0.248 COC(=O)CCCOCCCSC 7a_100000690336_100011218270 [0,1,0,0,0,0|2,0,0]=3 5383 B12R0.248 COC(=O)CCCSCCCC#N 62a_100000687738_100011218270 [0,1,0,0,0,0|2,0,1]=4 5384 B12R0.248 COC(=O)CCCSCCCC#N 62a_100011218270_100000687738 [0,1,0,0,0,0|2,0,1]=4 5385 B12R0.248 COC(=O)CCCSCCCC=O 62a_100011218270_200011292268 [0,1,0,0,0,0|2,0,1]=4 5386 B12R0.248 COC(=O)CCCSCCCC=O 62a_200011292268_100011218270 [0,1,0,0,0,0|2,0,1]=4 5387 B12R0.248 COC(=O)CCCSCCCCF 62a_100000729493_100011218270 [0,1,0,0,0,0|2,0,0]=3 5388 B12R0.248 COC(=O)CCCSCCCCF 62a_100011218270_100000729493 [0,1,0,0,0,0|2,0,0]=3 5389 B12R0.248 COC(=O)CCCSCCCCO 62a_100000210776_100011218270 [0,1,0,0,0,0|2,0,0]=3 5390 B12R0.248 COC(=O)CCCSCCCCO 62a_100011218270_100000210776 [0,1,0,0,0,0|2,0,0]=3 5391 B12R0.248 COC(=O)CCNCCCCCO 2230a_100000762737_100000204255 [0,1,0,0,0,0|2,0,0]=3 5392 B12R0.248 COC(=O)CCNCCCCCO 34a_100000762737_100000742370 [0,1,0,0,0,0|2,0,0]=3 5393 B12R0.248 COC(=O)CCNCCOCCO 2230a_100000211614_100000204255 [0,1,0,0,0,0|3,0,0]=4 5394 B12R0.248 COC(=O)CCNCCOCCO 34a_100000211614_100000742370 [0,1,0,0,0,0|3,0,0]=4 5395 B12R0.248 COC(=O)CCNCCSCCO 2230a_100011219999_100000204255 [0,1,0,0,0,0|3,0,0]=4 5396 B12R0.248 COC(=O)CCOCCCCCBr 34a_100000746331_100000742370 [0,1,0,0,0,0|2,0,0]=3 5397 B12R0.248 COC(=O)CCOCCCCCBr 7a_100000746331_100000204255 [0,1,0,0,0,0|2,0,0]=3 5398 B12R0.248 COC(=O)CCOCCCCCCl 34a_100000746330_100000742370 [0,1,0,0,0,0|2,0,0]=3 5399 B12R0.248 COC(=O)CCOCCCCCCl 7a_100000746330_100000204255 [0,1,0,0,0,0|2,0,0]=3 5400 B12R0.248 COC(=O)CCOCCCCCI 34a_200012148887_100000742370 [0,1,0,0,0,0|2,0,0]=3 5401 B12R0.248 COC(=O)CCOCCCCCI 7a_200012148887_100000204255 [0,1,0,0,0,0|2,0,0]=3 5402 B12R0.248 COC(=O)CCOCCCCCN 34a_100000762737_100000742370 [0,1,0,0,0,0|2,0,0]=3 5403 B12R0.248 COC(=O)CCOCCCCSC 34a_100011217163_100000742370 [0,1,0,0,0,0|2,0,0]=3 5404 B12R0.248 COC(=O)CCOCCCCSC 7a_100011217163_100000204255 [0,1,0,0,0,0|2,0,0]=3 5405 B12R0.248 COC(=O)CCOCCOCCBr 34a_100000692535_100000742370 [0,1,0,0,0,0|3,0,0]=4 5406 B12R0.248 COC(=O)CCOCCOCCBr 7a_100000692535_100000204255 [0,1,0,0,0,0|3,0,0]=4 5407 B12R0.248 COC(=O)CCOCCOCCCl 34a_100011215305_100000742370 [0,1,0,0,0,0|3,0,0]=4 5408 B12R0.248 COC(=O)CCOCCOCCCl 7a_100011215305_100000204255 [0,1,0,0,0,0|3,0,0]=4 5409 B12R0.248 COC(=O)CCOCCOCCF 34a_200015357709_100000742370 [0,1,0,0,0,0|3,0,0]=4 5410 B12R0.248 COC(=O)CCOCCOCCF 7a_200015357709_100000204255 [0,1,0,0,0,0|3,0,0]=4 5411 B12R0.248 COC(=O)CCOCCOCCI 34a_100012149058_100000742370 [0,1,0,0,0,0|3,0,0]=4 5412 B12R0.248 COC(=O)CCOCCOCCI 7a_100012149058_100000204255 [0,1,0,0,0,0|3,0,0]=4 5413 B12R0.248 COC(=O)CCOCCOCCN 34a_100000211614_100000742370 [0,1,0,0,0,0|3,0,0]=4 5414 B12R0.248 COC(=O)CCSCCCCC#N 62a_100000204255_100000211819 [0,1,0,0,0,0|2,0,1]=4 5415 B12R0.248 COC(=O)CCSCCCCC#N 62a_100011219923_100000204255 [0,1,0,0,0,0|2,0,1]=4 5416 B12R0.248 COC(=O)CCSCCCCC=O 62a_100000139335_100000204255 [0,1,0,0,0,0|2,0,1]=4 5417 B12R0.248 COC(=O)CCSCCCCC=O 62a_100000204255_100000139335 [0,1,0,0,0,0|2,0,1]=4 5418 B12R0.248 COC(=O)CCSCCCCCF 62a_100000204255_100000729378 [0,1,0,0,0,0|2,0,0]=3 5419 B12R0.248 COC(=O)CCSCCCCCF 62a_100000729378_100000204255 [0,1,0,0,0,0|2,0,0]=3 5420 B12R0.248 COC(=O)CCSCCCCCO 62a_100000204255_100000746330 [0,1,0,0,0,0|2,0,0]=3 5421 B12R0.248 COC(=O)CCSCCCCCO 62a_100000746330_100000204255 [0,1,0,0,0,0|2,0,0]=3 5422 B12R0.248 COC(=O)CCSCCOCCO 62a_100000204255_100011215305 [0,1,0,0,0,0|3,0,0]=4 5423 B12R0.248 COC(=O)CCSCCOCCO 62a_100011215305_100000204255 [0,1,0,0,0,0|3,0,0]=4 5424 B12R0.248 COC(=O)CNCCCCCCO 2230a_100000686447_100000747449 [0,1,0,0,0,0|2,0,0]=3 5425 B12R0.248 COC(=O)CNCCCCCCO 34a_100000686447_100000747449 [0,1,0,0,0,0|2,0,0]=3 5426 B12R0.248 COC(=O)COCCCCCCBr 34a_100011215345_100000747449 [0,1,0,0,0,0|2,0,0]=3 5427 B12R0.248 COC(=O)COCCCCCCBr 7a_100011215345_100000747449 [0,1,0,0,0,0|2,0,0]=3 5428 B12R0.248 COC(=O)COCCCCCCCl 34a_100000766143_100000747449 [0,1,0,0,0,0|2,0,0]=3 5429 B12R0.248 COC(=O)COCCCCCCCl 7a_100000766143_100000747449 [0,1,0,0,0,0|2,0,0]=3 5430 B12R0.248 COC(=O)COCCCCCCF 34a_100000732779_100000747449 [0,1,0,0,0,0|2,0,0]=3 5431 B12R0.248 COC(=O)COCCCCCCF 7a_100000732779_100000747449 [0,1,0,0,0,0|2,0,0]=3 5432 B12R0.248 COC(=O)COCCCCCCN 34a_100000686447_100000747449 [0,1,0,0,0,0|2,0,0]=3 5433 B12R0.248 COC(=O)COCCNCCCF 2230a_100015189416_100000090808 [0,1,0,0,0,0|3,0,0]=4 5434 B12R0.248 COC(=O)COCCNCCCF 34a_100015189416_100000090808 [0,1,0,0,0,0|3,0,0]=4 5435 B12R0.248 COC(=O)COCCNCCSC 2230a_100020590264_100000090808 [0,1,0,0,0,0|3,0,0]=4 5436 B12R0.248 COC(=O)COCCOCCCBr 34a_100011217188_100000090808 [0,1,0,0,0,0|3,0,0]=4 5437 B12R0.248 COC(=O)COCCOCCCCl 34a_100000230001_100000090808 [0,1,0,0,0,0|3,0,0]=4 5438 B12R0.248 COC(=O)COCCOCCCF 34a_100000759539_100000090808 [0,1,0,0,0,0|3,0,0]=4 5439 B12R0.248 COC(=O)COCCOCCCN 34a_100000182051_100000090808 [0,1,0,0,0,0|3,0,0]=4 5440 B12R0.248 COC(=O)COCCOCCO[13CH3] 34a_100011023656_200025704644 [0,1,0,0,0,0|3,0,0]=4 5441 B12R0.248 COC(=O)COCCOCCO[13CH3] 7a_100011023656_200025704644 [0,1,0,0,0,0|3,0,0]=4 5442 B12R0.248 COC(=O)COCCOCCSC 34a_100000230434_100000090808 [0,1,0,0,0,0|3,0,0]=4 5443 B12R0.248 COC(=O)COCCOCCSC 7a_100000230434_100000090808 [0,1,0,0,0,0|3,0,0]=4 5444 B12R0.248 COC(=O)COCCSCCCF 62a_100000090808_100011934791 [0,1,0,0,0,0|3,0,0]=4 5445 B12R0.248 COC(=O)COCCSCCCF 62a_100011934791_100000090808 [0,1,0,0,0,0|3,0,0]=4 5446 B12R0.248 COC(=O)COCCSCCCO 62a_100000090808_100011215043 [0,1,0,0,0,0|3,0,0]=4 5447 B12R0.248 COC(=O)COCCSCCCO 62a_100011215043_100000090808 [0,1,0,0,0,0|3,0,0]=4 5448 B12R0.248 COC(=O)COCCSCCSC 62a_100000090808_100000751147 [0,1,0,0,0,0|3,0,0]=4 5449 B12R0.248 COC(=O)COCCSCCSC 62a_100000212216_100000090808 [0,1,0,0,0,0|3,0,0]=4 5450 B12R0.248 COC(=O)CSCCCCCC#N 62a_100000747449_100009813376 [0,1,0,0,0,0|2,0,1]=4 5451 B12R0.248 COC(=O)CSCCCCCC#N 62a_100009813376_100000747449 [0,1,0,0,0,0|2,0,1]=4 5452 B12R0.248 COC(=O)CSCCCCCC=O 62a_100000139337_100000747449 [0,1,0,0,0,0|2,0,1]=4 5453 B12R0.248 COC(=O)CSCCCCCC=O 62a_100000747449_100000139337 [0,1,0,0,0,0|2,0,1]=4 5454 B12R0.248 COC(=O)CSCCCCCCF 62a_100000747449_100015922095 [0,1,0,0,0,0|2,0,0]=3 5455 B12R0.248 COC(=O)CSCCCCCCF 62a_100015922095_100000747449 [0,1,0,0,0,0|2,0,0]=3 5456 B12R0.248 COC(=O)CSCCCCCCO 62a_100000747449_100000766143 [0,1,0,0,0,0|2,0,0]=3 5457 B12R0.248 COC(=O)CSCCCCCCO 62a_100000766143_100000747449 [0,1,0,0,0,0|2,0,0]=3 5458 B12R0.248 COC(=O)NCCOCCCCF 34a_100000757965_100000729493 [0,1,0,0,0,0|3,0,0]=4 5459 B12R0.248 COC(=O)NCCOCCCCO 34a_100000757965_100011216708 [0,1,0,0,0,0|3,0,0]=4 5460 B12R0.248 COC(=O)OCCOCCCCF 34a_100010262106_100000729493 [0,1,0,0,0,0|3,0,0]=4 5461 B12R0.248 COC(=O)OCCOCCCCO 34a_100010262106_100011216708 [0,1,0,0,0,0|3,0,0]=4 5462 B12R0.248 COC(=O)OCSCCCCCF 62a_100000729378_100000139417 [0,1,0,0,0,0|3,0,0]=4 5463 B12R0.248 COC(=O)OCSCCCCCO 62a_100000746330_100000139417 [0,1,0,0,0,0|3,0,0]=4 5464 B12R0.248 COCCCCCCCC(=O)OC 34a_100011022521_200000210301 [0,1,0,0,0,0|1,0,0]=2 5465 B12R0.248 COCCCCCCCC(=O)OC 34a_100138415774_100010004213 [0,1,0,0,0,0|1,0,0]=2 5466 B12R0.248 COCCCCCCCC(=O)OC 7a_100011022521_200000210301 [0,1,0,0,0,0|1,0,0]=2 5467 B12R0.248 COCCCCCNCC(=O)OC 2230a_100000747528_100000747449 [0,1,0,0,0,0|2,0,0]=3 5468 B12R0.248 COCCCCCNCC(=O)OC 34a_100000747528_100000747449 [0,1,0,0,0,0|2,0,0]=3 5469 B12R0.248 COCCCCOCCC(=NO)N 34a_100000749954_100000755781 [0,1,0,0,0,0|3,0,0]=4 5470 B12R0.248 COCCCCOCCC(=O)OC 34a_100000740925_100000742370 [0,1,0,0,0,0|2,0,0]=3 5471 B12R0.248 COCCCCSCCC(=O)OC 62a_100000204255_100000730899 [0,1,0,0,0,0|2,0,0]=3 5472 B12R0.248 COCCCCSCCC(=O)OC 62a_100000730899_100000204255 [0,1,0,0,0,0|2,0,0]=3 5473 B12R0.248 COCCCCSCOC(=O)OC 62a_100000730899_100000139417 [0,1,0,0,0,0|3,0,0]=4 5474 B12R0.248 COCCCNCCCC(=O)OC 34a_100150723488_100000742333 [0,1,0,0,0,0|2,0,0]=3 5475 B12R0.248 COCCCOCCCC(=O)NN 34a_100000211488_100000740836 [0,1,0,0,0,0|3,0,0]=4 5476 B12R0.248 COCCCOCCCC(=O)OC 34a_100000740835_100000742333 [0,1,0,0,0,0|2,0,0]=3 5477 B12R0.248 COCCCOCCNC(=O)OC 34a_100000757965_100000740836 [0,1,0,0,0,0|3,0,0]=4 5478 B12R0.248 COCCCOCCOC(=O)OC 34a_100010262106_100000740836 [0,1,0,0,0,0|3,0,0]=4 5479 B12R0.248 COCCCSCCCC(=O)OC 62a_100000709357_100011218270 [0,1,0,0,0,0|2,0,0]=3 5480 B12R0.248 COCCCSCCCC(=O)OC 62a_100011218270_100000709357 [0,1,0,0,0,0|2,0,0]=3 5481 B12R0.248 COCCNCCCCC(=O)OC 2230a_100000209980_100000204269 [0,1,0,0,0,0|2,0,0]=3 5482 B12R0.248 COCCNCCOCC(=O)OC 2230a_100000209980_100000090808 [0,1,0,0,0,0|3,0,0]=4 5483 B12R0.248 COCCOCCCCC(=O)OC 34a_100000059025_100011201679 [0,1,0,0,0,0|2,0,0]=3 5484 B12R0.248 COCCOCCCCC(=O)OC 34a_100000210237_100000204269 [0,1,0,0,0,0|2,0,0]=3 5485 B12R0.248 COCCOCCCCC(=O)OC 7a_100000059025_100000233755 [0,1,0,0,0,0|2,0,0]=3 5486 B12R0.248 COCCOCCCNC(=O)CO 240690a_100000206027_100000210174 [0,1,0,0,0,0|3,0,0]=4 5487 B12R0.248 COCCOCCNCC(=O)OC 2230a_100000745349_100000747449 [0,1,0,0,0,0|3,0,0]=4 5488 B12R0.248 COCCOCCNCC(=O)OC 34a_100000745349_100000747449 [0,1,0,0,0,0|3,0,0]=4 5489 B12R0.248 COCCOCCOCC(=O)OC 34a_100000210237_100000090808 [0,1,0,0,0,0|3,0,0]=4 5490 B12R0.248 COCCOCCOCC(=O)OC 34a_100011023656_200000210301 [0,1,0,0,0,0|3,0,0]=4 5491 B12R0.248 COCCOCCOCC(=O)OC 34a_100011215163_100000747449 [0,1,0,0,0,0|3,0,0]=4 5492 B12R0.248 COCCOCCOCC(=O)OC 7a_100011023656_200000210301 [0,1,0,0,0,0|3,0,0]=4 5493 B12R0.248 COCCOCCOCC(=O)OC 7a_100011215163_100000747449 [0,1,0,0,0,0|3,0,0]=4 5494 B12R0.248 COCCOCCSCC(=O)OC 62a_100000695917_100000747449 [0,1,0,0,0,0|3,0,0]=4 5495 B12R0.248 COCCOCCSCC(=O)OC 62a_100000747449_100000695917 [0,1,0,0,0,0|3,0,0]=4 5496 B12R0.248 COCCOCSCCC(=O)OC 62a_100000204255_100000231047 [0,1,0,0,0,0|3,0,0]=4 5497 B12R0.248 COCCOCSCCC(=O)OC 62a_100000231047_100000204255 [0,1,0,0,0,0|3,0,0]=4 5498 B12R0.248 COCCSCCCCC(=O)OC 62a_100000204269_100000233755 [0,1,0,0,0,0|2,0,0]=3 5499 B12R0.248 COCCSCCCCC(=O)OC 62a_100000233755_100000204269 [0,1,0,0,0,0|2,0,0]=3 5500 B12R0.248 COCCSCCOCC(=O)OC 62a_100000090808_100000233755 [0,1,0,0,0,0|3,0,0]=4 5501 B12R0.248 COCCSCCOCC(=O)OC 62a_100000233755_100000090808 [0,1,0,0,0,0|3,0,0]=4 5502 B12R0.248 COCSCCCCCC(=O)OC 62a_100000766300_100009816466 [0,1,0,0,0,0|2,0,0]=3 5503 B12R0.248 COCSCCCCCC(=O)OC 62a_100009816466_100000766300 [0,1,0,0,0,0|2,0,0]=3 5504 B12R0.248 NC(=NO)CCOCCCCCF 34a_100000749954_100000729378 [0,1,0,0,0,0|3,0,0]=4 5505 B12R0.248 NC(=NO)CCOCCCCCO 34a_100000749954_100000746330 [0,1,0,0,0,0|3,0,0]=4 5506 B12R0.248 NNC(=O)CCCOCCCCF 34a_100000211488_100000729493 [0,1,0,0,0,0|3,0,0]=4 5507 B12R0.248 NNC(=O)CCCOCCCCO 34a_100000211488_100011216708 [0,1,0,0,0,0|3,0,0]=4 5508 B12R0.248 O=C(CO)CCCCCCCCO 1458a_100000210174_100000033203 [0,1,0,0,0,0|1,0,0]=2 5509 B12R0.248 O=C(CO)CCOCCOCCO 1458a_100000210174_100000032323 [0,1,0,0,0,0|3,0,0]=4 5510 B12R0.248 O=C(CO)NCCCCCCCO 240690a_100011996573_100000210174 [0,1,0,0,0,0|2,0,0]=3 5511 B12R0.248 O=C(CO)NCCCOCCCO 240690a_100011310245_100000210174 [0,1,0,0,0,0|3,0,0]=4 5512 B12R0.251 C#CCCCCCN[C@@H](C)C(=O)O 269956a_100000743915_100012094781 [0,1,0,0,0,0|1,0,2]=4 5513 B12R0.251 C#CCCCCNCC(C)C(=O)O 269956a_100000749485_100010269958 [0,1,0,0,0,0|1,0,2]=4 5514 B12R0.251 C#CCCCCNCC(F)C(=O)O 269956a_100000084737_100010269958 [0,1,0,0,0,0|1,0,2]=4 5515 B12R0.251 C=C(C)C(=O)CCCCCCCC 1458a_100000185857_100000210759 [0,1,0,0,0,0|2,0,1]=4 5516 B12R0.251 C=C(C)C(C)NCCCCCCC 269862a_100000229938_100011216138 [0,1,0,0,0,0|3,0,0]=4 5517 B12R0.251 C=CCCCCCN[C@@H](C)C(=O)O 269956a_100000743915_100000700193 [0,1,0,0,0,0|1,0,2]=4 5518 B12R0.251 C=CCCCCNCC(C)C(=O)O 269956a_100000749485_100011215482 [0,1,0,0,0,0|1,0,2]=4 5519 B12R0.251 C=CCCCCNCC(F)C(=O)O 269956a_100000084737_100011215482 [0,1,0,0,0,0|1,0,2]=4 5520 B12R0.251 CC(=O)C(C)COCCCCCF 34a_100000032740_100000729378 [0,1,0,0,0,0|3,0,0]=4 5521 B12R0.251 CC(=O)C(C)COCCCCCF 7a_100000032740_100000729378 [0,1,0,0,0,0|3,0,0]=4 5522 B12R0.251 CC(=O)C(C)COCCCCCO 34a_100000032740_100000746330 [0,1,0,0,0,0|3,0,0]=4 5523 B12R0.251 CC(=O)C(C)COCCCCCO 7a_100000032740_100000746330 [0,1,0,0,0,0|3,0,0]=4 5524 B12R0.251 CC(=O)C(C)NCCCCCCO 2230a_100000686447_100009814033 [0,1,0,0,0,0|3,0,0]=4 5525 B12R0.251 CC(=O)C(C)OCCCCCCBr 7a_100011215345_100000179758 [0,1,0,0,0,0|3,0,0]=4 5526 B12R0.251 CC(=O)C(C)OCCCCCCCl 7a_100000766143_100000179758 [0,1,0,0,0,0|3,0,0]=4 5527 B12R0.251 CC(=O)C(C)OCCCCCCF 34a_100000212229_100015922095 [0,1,0,0,0,0|3,0,0]=4 5528 B12R0.251 CC(=O)C(C)OCCCCCCF 7a_100000732779_100000179758 [0,1,0,0,0,0|3,0,0]=4 5529 B12R0.251 CC(=O)C(C)OCCCCCCO 34a_100000212229_100000766143 [0,1,0,0,0,0|3,0,0]=4 5530 B12R0.251 CC(=O)C(C)SCCCCCCF 62a_100009814033_100015922095 [0,1,0,0,0,0|3,0,0]=4 5531 B12R0.251 CC(=O)C(C)SCCCCCCF 62a_100015922095_100009814033 [0,1,0,0,0,0|3,0,0]=4 5532 B12R0.251 CC(=O)C(C)SCCCCCCO 62a_100000766143_100009814033 [0,1,0,0,0,0|3,0,0]=4 5533 B12R0.251 CC(=O)C(C)SCCCCCCO 62a_100009814033_100000766143 [0,1,0,0,0,0|3,0,0]=4 5534 B12R0.251 CC(CNCCCCC#N)C(=O)O 269956a_100000749485_100011219923 [0,1,0,0,0,0|2,0,1]=4 5535 B12R0.251 CC(CNCCCCC=O)C(=O)O 269956a_100000749485_100000139335 [0,1,0,0,0,0|2,0,1]=4 5536 B12R0.251 CC(CNCCCCCF)C(=O)O 269956a_100000749485_100000729378 [0,1,0,0,0,0|2,0,0]=3 5537 B12R0.251 CC(CNCCCCCO)C(=O)O 269956a_100000749485_100000746330 [0,1,0,0,0,0|2,0,0]=3 5538 B12R0.251 CC(CNCCOCCO)C(=O)O 269956a_100000749485_100011215305 [0,1,0,0,0,0|3,0,0]=4 5539 B12R0.251 CC(NCCCCCCO)C(=O)N 2230a_100000686447_100000702099 [0,1,0,0,0,0|3,0,0]=4 5540 B12R0.251 CC(NCCCCCCO)C(=O)N 34a_100000686447_100000702099 [0,1,0,0,0,0|3,0,0]=4 5541 B12R0.251 CC(OCCCCCCBr)C(=O)N 34a_100011215345_100000702099 [0,1,0,0,0,0|3,0,0]=4 5542 B12R0.251 CC(OCCCCCCBr)C(=O)N 7a_100011215345_100000702099 [0,1,0,0,0,0|3,0,0]=4 5543 B12R0.251 CC(OCCCCCCCl)C(=O)N 34a_100000766143_100000702099 [0,1,0,0,0,0|3,0,0]=4 5544 B12R0.251 CC(OCCCCCCCl)C(=O)N 7a_100000766143_100000702099 [0,1,0,0,0,0|3,0,0]=4 5545 B12R0.251 CC(OCCCCCCF)C(=O)N 34a_100000732779_100000702099 [0,1,0,0,0,0|3,0,0]=4 5546 B12R0.251 CC(OCCCCCCF)C(=O)N 7a_100000732779_100000702099 [0,1,0,0,0,0|3,0,0]=4 5547 B12R0.251 CC(OCCCCCCN)C(=O)N 34a_100000686447_100000702099 [0,1,0,0,0,0|3,0,0]=4 5548 B12R0.251 CC(SCCCCCCF)C(=O)N 62a_100000702099_100015922095 [0,1,0,0,0,0|3,0,0]=4 5549 B12R0.251 CC(SCCCCCCF)C(=O)N 62a_100015922095_100000702099 [0,1,0,0,0,0|3,0,0]=4 5550 B12R0.251 CC(SCCCCCCO)C(=O)N 62a_100000702099_100000766143 [0,1,0,0,0,0|3,0,0]=4 5551 B12R0.251 CC(SCCCCCCO)C(=O)N 62a_100000766143_100000702099 [0,1,0,0,0,0|3,0,0]=4 5552 B12R0.251 CC/C=C\CCNCC(C)C(=O)O 269956a_100000749485_100015370543 [0,1,0,0,0,0|1,0,2]=4 5553 B12R0.251 CC/C=C\CCNCC(F)C(=O)O 269956a_100000084737_100015370543 [0,1,0,0,0,0|1,0,2]=4 5554 B12R0.251 CCCCCCCCC(=O)C(O)O 1458a_100000233687_100000210759 [0,1,0,0,0,0|0,0,3]=4 5555 B12R0.251 CCCCCCCCC(=O)[C@@H](C)O 1458a_100000717761_100000210759 [0,1,0,0,0,0|1,0,2]=4 5556 B12R0.251 CCCCCCCCC(=O)[C@H](C)O 1458a_217856618621_100000210759 [0,1,0,0,0,0|1,0,2]=4 5557 B12R0.251 CCCCCCCCC(C)N(C)C 270004a_100102631434_100011216694 [0,1,0,0,0,0|3,0,0]=4 5558 B12R0.251 CCCCCCCCC(O)C(=O)C 1458a_200011995895_200000210301 [0,1,0,0,0,0|1,0,0]=2 5559 B12R0.251 CCCCCCCCC(O)C(=O)[13CH3] 1458a_200011995895_200025704644 [0,1,0,0,0,0|1,0,0]=2 5560 B12R0.251 CCCCCCCCN(C)C(=O)C 11a_100000207567_100015343762 [0,1,0,0,0,0|2,0,0]=3 5561 B12R0.251 CCCCCCCCN(C)C(=O)C 1626a_100000207567_100015343762 [0,1,0,0,0,0|2,0,0]=3 5562 B12R0.251 CCCCCCCCN(C)C(=O)C 240690a_100000207567_100015343762 [0,1,0,0,0,0|2,0,0]=3 5563 B12R0.251 CCCCCCCCN(C)C(=O)C 527a_100000207567_100103153847 [0,1,0,0,0,0|2,0,0]=3 5564 B12R0.251 CCCCCCCNC(=O)C(=O)N 240690a_100000229938_100011215815 [0,1,0,0,0,0|2,0,1]=4 5565 B12R0.251 CCCCCCCNC(C)C(=O)C 2230a_100000229938_100009814033 [0,1,0,0,0,0|2,0,0]=3 5566 B12R0.251 CCCCCCCNC(C)C(=O)N 2230a_100000229938_100000702099 [0,1,0,0,0,0|2,0,0]=3 5567 B12R0.251 CCCCCCCNC(F)C(=O)N 2230a_100000229938_100009813875 [0,1,0,0,0,0|2,0,0]=3 5568 B12R0.251 CCCCCCCN[C@@H](C)C(=O)O 269956a_100000743915_100000210614 [0,1,0,0,0,0|1,0,0]=2 5569 B12R0.251 CCCCCCCN[C@H](C)C(=O)N 2230a_100000119354_100000210681 [0,1,0,0,0,0|2,0,0]=3 5570 B12R0.251 CCCCCCCN[C@H](C)C(=O)N 34a_100000119354_100000210614 [0,1,0,0,0,0|2,0,0]=3 5571 B12R0.251 CCCCCCCOC(C)C(=O)C 34a_100000212229_100000210614 [0,1,0,0,0,0|2,0,0]=3 5572 B12R0.251 CCCCCCCOC(C)C(=O)C 7a_100000210272_100000179758 [0,1,0,0,0,0|2,0,0]=3 5573 B12R0.251 CCCCCCCOC(C)C(=O)N 34a_100000210272_100000702099 [0,1,0,0,0,0|2,0,0]=3 5574 B12R0.251 CCCCCCCOC(C)C(=O)N 7a_100000210272_100000702099 [0,1,0,0,0,0|2,0,0]=3 5575 B12R0.251 CCCCCCCOC(F)C(=O)N 34a_100000210272_100009813875 [0,1,0,0,0,0|2,0,0]=3 5576 B12R0.251 CCCCCCCOC(F)C(=O)N 7a_100000210272_100009813875 [0,1,0,0,0,0|2,0,0]=3 5577 B12R0.251 CCCCCCCOC(F)C(=O)[O-] 34a_100000210272_100020610796 [0,1,0,0,0,0|1,0,1]=3 5578 B12R0.251 CCCCCCCO[C@@H](C)C(=O)[O-] 7a_217856618621_100000210614 [0,1,0,0,0,0|1,0,1]=3 5579 B12R0.251 CCCCCCCO[C@H](C)C(=O)N 34a_100000731257_100000210614 [0,1,0,0,0,0|2,0,0]=3 5580 B12R0.251 CCCCCCCO[C@H](C)C(=O)N 7a_100000731257_100000210614 [0,1,0,0,0,0|2,0,0]=3 5581 B12R0.251 CCCCCCCSC(C)C(=O)C 62a_100000210614_100009814033 [0,1,0,0,0,0|2,0,0]=3 5582 B12R0.251 CCCCCCCSC(C)C(=O)C 62a_100009814033_100000210316 [0,1,0,0,0,0|2,0,0]=3 5583 B12R0.251 CCCCCCCSC(C)C(=O)N 62a_100000210614_100000702099 [0,1,0,0,0,0|2,0,0]=3 5584 B12R0.251 CCCCCCCSC(C)C(=O)N 62a_100000702099_100000210316 [0,1,0,0,0,0|2,0,0]=3 5585 B12R0.251 CCCCCCCSC(F)C(=O)N 62a_100000210614_100009813875 [0,1,0,0,0,0|2,0,0]=3 5586 B12R0.251 CCCCCCCSC(F)C(=O)N 62a_100009813875_100000210316 [0,1,0,0,0,0|2,0,0]=3 5587 B12R0.251 CCCCCCCSC(F)C(=O)[O-] 62a_100000210614_100020610796 [0,1,0,0,0,0|1,0,1]=3 5588 B12R0.251 CCCCCCCSC(F)C(=O)[O-] 62a_100020610796_100000210316 [0,1,0,0,0,0|1,0,1]=3 5589 B12R0.251 CCCCCCNCC(C)C(=O)O 269956a_100000749485_100000210757 [0,1,0,0,0,0|1,0,0]=2 5590 B12R0.251 CCCCCCNCC(F)C(=O)O 269956a_100000084737_100000210757 [0,1,0,0,0,0|1,0,0]=2 5591 B12R0.251 CCCCCCOCC(=O)C(=O)C 34a_100000210259_100011261029 [0,1,0,0,0,0|2,0,1]=4 5592 B12R0.251 CCCCCCOCC(C)C(=O)C 34a_100000032740_100000210314 [0,1,0,0,0,0|2,0,0]=3 5593 B12R0.251 CCCCCCOCC(C)C(=O)C 7a_100000032740_100000210314 [0,1,0,0,0,0|2,0,0]=3 5594 B12R0.251 CCCCCCOCC(C)[N+](=O)[O-] 34a_100000039676_100000210314 [0,1,0,0,0,0|2,0,1]=4 5595 B12R0.251 CCCCCCOCC(C)[N+](=O)[O-] 7a_100000039676_100000210314 [0,1,0,0,0,0|2,0,1]=4 5596 B12R0.251 CCCCCCOC[C@H](N)C(=O)N 34a_100000729942_100000210314 [0,1,0,0,0,0|2,0,0]=3 5597 B12R0.251 CCCCCCSCC(=O)C(=O)C 62a_100000210314_100011261029 [0,1,0,0,0,0|2,0,1]=4 5598 B12R0.251 CCCCCCSCC(=O)C(=O)C 62a_100011261029_100000210757 [0,1,0,0,0,0|2,0,1]=4 5599 B12R0.251 CCCCOCCN[C@@H](C)C(=O)O 269956a_100000743915_100000743108 [0,1,0,0,0,0|2,0,0]=3 5600 B12R0.251 CCCCOCCN[C@H](C)C(=O)N 2230a_100000119354_100000743108 [0,1,0,0,0,0|3,0,0]=4 5601 B12R0.251 CCCCOCCN[C@H](C)C(=O)N 34a_100000119354_100000743108 [0,1,0,0,0,0|3,0,0]=4 5602 B12R0.251 CCCCOCCOC(C)C(=O)C 34a_100000212229_100000743108 [0,1,0,0,0,0|3,0,0]=4 5603 B12R0.251 CCCCOCCOC(C)C(=O)C 7a_100000210238_100000179758 [0,1,0,0,0,0|3,0,0]=4 5604 B12R0.251 CCCCOCCOC(C)C(=O)N 34a_100000210238_100000702099 [0,1,0,0,0,0|3,0,0]=4 5605 B12R0.251 CCCCOCCOC(C)C(=O)N 7a_100000210238_100000702099 [0,1,0,0,0,0|3,0,0]=4 5606 B12R0.251 CCCCOCCOC(F)C(=O)N 34a_100000210238_100009813875 [0,1,0,0,0,0|3,0,0]=4 5607 B12R0.251 CCCCOCCOC(F)C(=O)N 7a_100000210238_100009813875 [0,1,0,0,0,0|3,0,0]=4 5608 B12R0.251 CCCCOCCOC(F)C(=O)[O-] 34a_100000210238_100020610796 [0,1,0,0,0,0|2,0,1]=4 5609 B12R0.251 CCCCOCCO[C@@H](C)C(=O)[O-] 7a_217856618621_100000743108 [0,1,0,0,0,0|2,0,1]=4 5610 B12R0.251 CCCCOCCO[C@H](C)C(=O)N 34a_100000731257_100000743108 [0,1,0,0,0,0|3,0,0]=4 5611 B12R0.251 CCCCOCCO[C@H](C)C(=O)N 7a_100000731257_100000743108 [0,1,0,0,0,0|3,0,0]=4 5612 B12R0.251 CCCCOCCSC(C)C(=O)C 62a_100000743108_100009814033 [0,1,0,0,0,0|3,0,0]=4 5613 B12R0.251 CCCCOCCSC(C)C(=O)C 62a_100009814033_100000743108 [0,1,0,0,0,0|3,0,0]=4 5614 B12R0.251 CCCCOCCSC(C)C(=O)N 62a_100000702099_100000743108 [0,1,0,0,0,0|3,0,0]=4 5615 B12R0.251 CCCCOCCSC(C)C(=O)N 62a_100000743108_100000702099 [0,1,0,0,0,0|3,0,0]=4 5616 B12R0.251 CCCCOCCSC(F)C(=O)N 62a_100000743108_100009813875 [0,1,0,0,0,0|3,0,0]=4 5617 B12R0.251 CCCCOCCSC(F)C(=O)N 62a_100009813875_100000743108 [0,1,0,0,0,0|3,0,0]=4 5618 B12R0.251 CCCCOCCSC(F)C(=O)[O-] 62a_100000743108_100020610796 [0,1,0,0,0,0|2,0,1]=4 5619 B12R0.251 CCCCOCCSC(F)C(=O)[O-] 62a_100020610796_100000743108 [0,1,0,0,0,0|2,0,1]=4 5620 B12R0.251 CCCCOCNCC(C)C(=O)O 269956a_100000749485_100011995733 [0,1,0,0,0,0|2,0,0]=3 5621 B12R0.251 CCCCOCNCC(F)C(=O)O 269956a_100000084737_100011995733 [0,1,0,0,0,0|2,0,0]=3 5622 B12R0.251 CCCCOCOCC(C)C(=O)C 34a_100000032740_100011995733 [0,1,0,0,0,0|3,0,0]=4 5623 B12R0.251 CCCCOCOC[C@H](N)C(=O)N 34a_100000729942_100011995733 [0,1,0,0,0,0|3,0,0]=4 5624 B12R0.251 CCCCSCCNC(C)C(=O)C 2230a_100025743550_100009814033 [0,1,0,0,0,0|3,0,0]=4 5625 B12R0.251 CCCCSCCNC(C)C(=O)N 2230a_100025743550_100000702099 [0,1,0,0,0,0|3,0,0]=4 5626 B12R0.251 CCCCSCCNC(F)C(=O)N 2230a_100025743550_100009813875 [0,1,0,0,0,0|3,0,0]=4 5627 B12R0.251 CCCCSCCOC(C)C(=O)C 7a_200000230436_100000179758 [0,1,0,0,0,0|3,0,0]=4 5628 B12R0.251 CCCCSCCOC(C)C(=O)N 34a_200000230436_100000702099 [0,1,0,0,0,0|3,0,0]=4 5629 B12R0.251 CCCCSCCOC(C)C(=O)N 7a_200000230436_100000702099 [0,1,0,0,0,0|3,0,0]=4 5630 B12R0.251 CCCCSCCOC(F)C(=O)N 34a_200000230436_100009813875 [0,1,0,0,0,0|3,0,0]=4 5631 B12R0.251 CCCCSCCOC(F)C(=O)N 7a_200000230436_100009813875 [0,1,0,0,0,0|3,0,0]=4 5632 B12R0.251 CCCCSCCOC(F)C(=O)[O-] 34a_200000230436_100020610796 [0,1,0,0,0,0|2,0,1]=4 5633 B12R0.251 CCCOCCCNC(C)C(=O)C 2230a_100011217757_100009814033 [0,1,0,0,0,0|3,0,0]=4 5634 B12R0.251 CCCOCCCNC(C)C(=O)N 2230a_100011217757_100000702099 [0,1,0,0,0,0|3,0,0]=4 5635 B12R0.251 CCCOCCCNC(C)C(=O)N 34a_100011217757_100000702099 [0,1,0,0,0,0|3,0,0]=4 5636 B12R0.251 CCCOCCCNC(F)C(=O)N 2230a_100011217757_100009813875 [0,1,0,0,0,0|3,0,0]=4 5637 B12R0.251 CCCOCCCNC(F)C(=O)N 34a_100011217757_100009813875 [0,1,0,0,0,0|3,0,0]=4 5638 B12R0.251 CCCOCCCNC(F)C(=O)[O-] 34a_100011217757_100020610796 [0,1,0,0,0,0|2,0,1]=4 5639 B12R0.251 CCCOCCNCC(C)C(=O)O 269956a_100000749485_100011215938 [0,1,0,0,0,0|2,0,0]=3 5640 B12R0.251 CCCOCCNCC(F)C(=O)O 269956a_100000084737_100011215938 [0,1,0,0,0,0|2,0,0]=3 5641 B12R0.251 CCCOCCOCC(C)C(=O)C 34a_100000032740_100011215938 [0,1,0,0,0,0|3,0,0]=4 5642 B12R0.251 CCCOCCOCC(C)C(=O)C 7a_100000032740_100011215938 [0,1,0,0,0,0|3,0,0]=4 5643 B12R0.251 CCCOCCOC[C@H](N)C(=O)N 34a_100000729942_100011215938 [0,1,0,0,0,0|3,0,0]=4 5644 B12R0.251 CCOCCCNCC(C)C(=O)O 269956a_100000749485_100012232248 [0,1,0,0,0,0|2,0,0]=3 5645 B12R0.251 CCOCCCNCC(F)C(=O)O 269956a_100000084737_100012232248 [0,1,0,0,0,0|2,0,0]=3 5646 B12R0.251 CCOCCCOCC(C)C(=O)C 34a_100000032740_100012232248 [0,1,0,0,0,0|3,0,0]=4 5647 B12R0.251 CCOCCCOCC(C)C(=O)C 7a_100000032740_100012232248 [0,1,0,0,0,0|3,0,0]=4 5648 B12R0.251 CCOCCCOC[C@H](N)C(=O)N 34a_100000729942_100012232248 [0,1,0,0,0,0|3,0,0]=4 5649 B12R0.251 CNCCCCCOC(C)C(=O)N 34a_100000722520_100000702099 [0,1,0,0,0,0|3,0,0]=4 5650 B12R0.251 CNCCCCCOC(F)C(=O)N 34a_100000722520_100009813875 [0,1,0,0,0,0|3,0,0]=4 5651 B12R0.251 CNCCCCCOC(F)C(=O)[O-] 34a_100000722520_100020610796 [0,1,0,0,0,0|2,0,1]=4 5652 B12R0.251 COCCCCCNC(C)C(=O)C 2230a_100000747528_100009814033 [0,1,0,0,0,0|3,0,0]=4 5653 B12R0.251 COCCCCCNC(C)C(=O)N 2230a_100000747528_100000702099 [0,1,0,0,0,0|3,0,0]=4 5654 B12R0.251 COCCCCCNC(C)C(=O)N 34a_100000747528_100000702099 [0,1,0,0,0,0|3,0,0]=4 5655 B12R0.251 COCCCCCNC(F)C(=O)N 2230a_100000747528_100009813875 [0,1,0,0,0,0|3,0,0]=4 5656 B12R0.251 COCCCCCNC(F)C(=O)N 34a_100000747528_100009813875 [0,1,0,0,0,0|3,0,0]=4 5657 B12R0.251 COCCCCCNC(F)C(=O)[O-] 34a_100000747528_100020610796 [0,1,0,0,0,0|2,0,1]=4 5658 B12R0.251 COCCCCNCC(C)C(=O)O 269956a_100000749485_100000730899 [0,1,0,0,0,0|2,0,0]=3 5659 B12R0.251 COCCCCNCC(F)C(=O)O 269956a_100000084737_100000730899 [0,1,0,0,0,0|2,0,0]=3 5660 B12R0.251 COCCCCOCC(C)C(=O)C 34a_100000032740_100000755781 [0,1,0,0,0,0|3,0,0]=4 5661 B12R0.251 COCCCCOCC(C)C(=O)C 7a_100000032740_100000730899 [0,1,0,0,0,0|3,0,0]=4 5662 B12R0.251 COCCCCOC[C@H](N)C(=O)N 34a_100000729942_100000755781 [0,1,0,0,0,0|3,0,0]=4 5663 B12R0.251 COCCOCCN[C@@H](C)C(=O)O 269956a_100000743915_100000695917 [0,1,0,0,0,0|3,0,0]=4 5664 B12R0.251 COCCOCNCC(C)C(=O)O 269956a_100000749485_100000231047 [0,1,0,0,0,0|3,0,0]=4 5665 B12R0.251 COCCOCNCC(F)C(=O)O 269956a_100000084737_100000231047 [0,1,0,0,0,0|3,0,0]=4 5666 B12R0.251 C[C@@H](NCCCCCCF)C(=O)N 2230a_100000119354_100015922095 [0,1,0,0,0,0|3,0,0]=4 5667 B12R0.251 C[C@@H](NCCCCCCF)C(=O)N 34a_100000119354_100015922095 [0,1,0,0,0,0|3,0,0]=4 5668 B12R0.251 C[C@@H](NCCCCCCO)C(=O)N 2230a_100000119354_100000766143 [0,1,0,0,0,0|3,0,0]=4 5669 B12R0.251 C[C@@H](NCCCCCCO)C(=O)N 34a_100000119354_100000766143 [0,1,0,0,0,0|3,0,0]=4 5670 B12R0.251 C[C@@H](OCCCCCCF)C(=O)N 34a_100000731257_100015922095 [0,1,0,0,0,0|3,0,0]=4 5671 B12R0.251 C[C@@H](OCCCCCCF)C(=O)N 7a_100000731257_100015922095 [0,1,0,0,0,0|3,0,0]=4 5672 B12R0.251 C[C@@H](OCCCCCCO)C(=O)N 34a_100000731257_100000766143 [0,1,0,0,0,0|3,0,0]=4 5673 B12R0.251 C[C@@H](OCCCCCCO)C(=O)N 7a_100000731257_100000766143 [0,1,0,0,0,0|3,0,0]=4 5674 B12R0.251 C[C@H](NCCCCCC#N)C(=O)O 269956a_100000743915_100009813376 [0,1,0,0,0,0|2,0,1]=4 5675 B12R0.251 C[C@H](NCCCCCC=O)C(=O)O 269956a_100000743915_100000139337 [0,1,0,0,0,0|2,0,1]=4 5676 B12R0.251 C[C@H](NCCCCCCF)C(=O)O 269956a_100000743915_100015922095 [0,1,0,0,0,0|2,0,0]=3 5677 B12R0.251 C[C@H](NCCCCCCO)C(=O)O 269956a_100000743915_100000766143 [0,1,0,0,0,0|2,0,0]=3 5678 B12R0.251 C[C@H](OCCCCCCF)C(=O)[O-] 7a_217856618621_100015922095 [0,1,0,0,0,0|2,0,1]=4 5679 B12R0.251 C[C@H](OCCCCCCO)C(=O)[O-] 7a_217856618621_100000766143 [0,1,0,0,0,0|2,0,1]=4 5680 B12R0.251 N#CCCCCNCC(F)C(=O)O 269956a_100000084737_100011219923 [0,1,0,0,0,0|2,0,1]=4 5681 B12R0.251 NC(=O)C(F)NCCCCCCO 2230a_100000686447_100009813875 [0,1,0,0,0,0|3,0,0]=4 5682 B12R0.251 NC(=O)C(F)NCCCCCCO 34a_100000686447_100009813875 [0,1,0,0,0,0|3,0,0]=4 5683 B12R0.251 NC(=O)C(F)OCCCCCCBr 34a_100011215345_100009813875 [0,1,0,0,0,0|3,0,0]=4 5684 B12R0.251 NC(=O)C(F)OCCCCCCBr 7a_100011215345_100009813875 [0,1,0,0,0,0|3,0,0]=4 5685 B12R0.251 NC(=O)C(F)OCCCCCCCl 34a_100000766143_100009813875 [0,1,0,0,0,0|3,0,0]=4 5686 B12R0.251 NC(=O)C(F)OCCCCCCCl 7a_100000766143_100009813875 [0,1,0,0,0,0|3,0,0]=4 5687 B12R0.251 NC(=O)C(F)OCCCCCCF 34a_100000732779_100009813875 [0,1,0,0,0,0|3,0,0]=4 5688 B12R0.251 NC(=O)C(F)OCCCCCCF 7a_100000732779_100009813875 [0,1,0,0,0,0|3,0,0]=4 5689 B12R0.251 NC(=O)C(F)SCCCCCCF 62a_100009813875_100015922095 [0,1,0,0,0,0|3,0,0]=4 5690 B12R0.251 NC(=O)C(F)SCCCCCCF 62a_100015922095_100009813875 [0,1,0,0,0,0|3,0,0]=4 5691 B12R0.251 NC(=O)C(F)SCCCCCCO 62a_100000766143_100009813875 [0,1,0,0,0,0|3,0,0]=4 5692 B12R0.251 NC(=O)C(F)SCCCCCCO 62a_100009813875_100000766143 [0,1,0,0,0,0|3,0,0]=4 5693 B12R0.251 NC(=O)[C@@H](N)COCCCCCF 34a_100000729942_100000729378 [0,1,0,0,0,0|3,0,0]=4 5694 B12R0.251 NC(=O)[C@@H](N)COCCCCCO 34a_100000729942_100000746330 [0,1,0,0,0,0|3,0,0]=4 5695 B12R0.251 NCCCCCCOC(F)C(=O)N 34a_100000686447_100009813875 [0,1,0,0,0,0|3,0,0]=4 5696 B12R0.251 NCCCCCCOC(F)C(=O)[O-] 34a_100000686447_100020610796 [0,1,0,0,0,0|2,0,1]=4 5697 B12R0.251 O=C(O)C(F)CNCCCCCF 269956a_100000084737_100000729378 [0,1,0,0,0,0|2,0,0]=3 5698 B12R0.251 O=C(O)C(F)CNCCCCCO 269956a_100000084737_100000746330 [0,1,0,0,0,0|2,0,0]=3 5699 B12R0.251 O=C(O)C(F)CNCCOCCO 269956a_100000084737_100011215305 [0,1,0,0,0,0|3,0,0]=4 5700 B12R0.251 O=C([O-])C(F)NCCCCCCO 34a_100000686447_100020610796 [0,1,0,0,0,0|2,0,1]=4 5701 B12R0.251 O=C([O-])C(F)OCCCCCCBr 34a_100011215345_100020610796 [0,1,0,0,0,0|2,0,1]=4 5702 B12R0.251 O=C([O-])C(F)OCCCCCCCl 34a_100000766143_100020610796 [0,1,0,0,0,0|2,0,1]=4 5703 B12R0.251 O=C([O-])C(F)OCCCCCCF 34a_100000732779_100020610796 [0,1,0,0,0,0|2,0,1]=4 5704 B12R0.251 O=C([O-])C(F)SCCCCCCF 62a_100015922095_100020610796 [0,1,0,0,0,0|2,0,1]=4 5705 B12R0.251 O=C([O-])C(F)SCCCCCCF 62a_100020610796_100015922095 [0,1,0,0,0,0|2,0,1]=4 5706 B12R0.251 O=C([O-])C(F)SCCCCCCO 62a_100000766143_100020610796 [0,1,0,0,0,0|2,0,1]=4 5707 B12R0.251 O=C([O-])C(F)SCCCCCCO 62a_100020610796_100000766143 [0,1,0,0,0,0|2,0,1]=4 5708 B12R0.251 O=CCCCCNCC(F)C(=O)O 269956a_100000084737_100000139335 [0,1,0,0,0,0|2,0,1]=4 5709 B12R0.255 C=C(C)CCC(=O)CCCCCC 1458a_100102632555_100000730704 [0,1,0,0,0,0|2,0,1]=4 5710 B12R0.255 C=C(C)CCC(=O)CCCCCC 1458a_200000688413_100000210757 [0,1,0,0,0,0|2,0,1]=4 5711 B12R0.255 C=C(C)CCC(C)NCCCCC 270004a_100000209983_100011215600 [0,1,0,0,0,0|3,0,0]=4 5712 B12R0.255 C=C(C)CCN(C)CCCCCC 2230a_106256046315_100000730704 [0,1,0,0,0,0|3,0,0]=4 5713 B12R0.255 C=C(C)CCN(C)CCCCCC 269982a_106256046315_100000730704 [0,1,0,0,0,0|3,0,0]=4 5714 B12R0.255 C=C(C)CNC(C)CCCCCC 2230a_100000210919_100000748629 [0,1,0,0,0,0|3,0,0]=4 5715 B12R0.255 C=C(C)CNC(C)CCCCCC 34a_100000210919_100000748629 [0,1,0,0,0,0|3,0,0]=4 5716 B12R0.255 C=C(C)COC(C)CCCCCC 34a_100000210245_100011215978 [0,1,0,0,0,0|3,0,0]=4 5717 B12R0.255 C=C(C)COC(C)CCCCCC 34a_100000210265_100000748629 [0,1,0,0,0,0|3,0,0]=4 5718 B12R0.255 C=C(C)COC(C)CCCCCC 7a_100000210265_100000748629 [0,1,0,0,0,0|3,0,0]=4 5719 B12R0.255 C=C(C)CSC(C)CCCCCC 62a_100000748629_100011215978 [0,1,0,0,0,0|3,0,0]=4 5720 B12R0.255 C=C(C)CSC(C)CCCCCC 62a_100011215978_100000211660 [0,1,0,0,0,0|3,0,0]=4 5721 B12R0.255 C=C(F)CNC(C)CCCCCC 2230a_100000210919_100009893438 [0,1,0,0,0,0|3,0,0]=4 5722 B12R0.255 C=C(F)CNC(C)CCCCCC 34a_100000210919_100009893438 [0,1,0,0,0,0|3,0,0]=4 5723 B12R0.255 C=C(F)COC(C)CCCCCC 34a_100000210265_100009893438 [0,1,0,0,0,0|3,0,0]=4 5724 B12R0.255 C=C(F)COC(C)CCCCCC 34a_200010262243_100011215978 [0,1,0,0,0,0|3,0,0]=4 5725 B12R0.255 C=C(F)COC(C)CCCCCC 7a_100000210265_100000042424 [0,1,0,0,0,0|3,0,0]=4 5726 B12R0.255 C=C(F)CSC(C)CCCCCC 62a_100000042424_100011215978 [0,1,0,0,0,0|3,0,0]=4 5727 B12R0.255 C=C(F)CSC(C)CCCCCC 62a_100011215978_100000042424 [0,1,0,0,0,0|3,0,0]=4 5728 B12R0.255 CC(=O)CCN(C)CCCCCO 269982a_100000722520_100000053229 [0,1,0,0,0,0|3,0,0]=4 5729 B12R0.255 CCCCCCC(=O)CCC(=O)N 1458a_100011215257_100000210757 [0,1,0,0,0,0|1,0,1]=3 5730 B12R0.255 CCCCCCC(=O)CCC(C)O 1458a_100102632555_100012276601 [0,1,0,0,0,0|1,0,2]=4 5731 B12R0.255 CCCCCCC(=O)CC[N+](=O)[O-] 1458a_200000064761_100000210757 [0,1,0,0,0,0|1,0,2]=4 5732 B12R0.255 CCCCCCC(=O)CNC(=O)C 1458a_100000194580_100000210757 [0,1,0,0,0,0|2,0,1]=4 5733 B12R0.255 CCCCCCC(=O)CNC(=O)N 1458a_100000184981_100000210757 [0,1,0,0,0,0|2,0,1]=4 5734 B12R0.255 CCCCCCC(=O)COC(=O)C 1458a_100000183556_100000210757 [0,1,0,0,0,0|2,0,1]=4 5735 B12R0.255 CCCCCCC(=O)CSC(=O)C 1458a_100000049016_100000210757 [0,1,0,0,0,0|2,0,1]=4 5736 B12R0.255 CCCCCCC(=O)NCC(=O)N 11a_100000711301_100102632555 [0,1,0,0,0,0|2,0,1]=4 5737 B12R0.255 CCCCCCC(=O)NCC(=O)N 240690a_100000711301_100102632555 [0,1,0,0,0,0|2,0,1]=4 5738 B12R0.255 CCCCCCC(=O)NCC(=O)N 527a_100000711301_100102632555 [0,1,0,0,0,0|2,0,1]=4 5739 B12R0.255 CCCCCCC(C)NCC(=O)N 2230a_100000210919_100000747473 [0,1,0,0,0,0|2,0,0]=3 5740 B12R0.255 CCCCCCC(C)NCC(=O)N 2230a_100000711301_100011215978 [0,1,0,0,0,0|2,0,0]=3 5741 B12R0.255 CCCCCCC(C)NCC(=O)N 34a_100000210919_100000187820 [0,1,0,0,0,0|2,0,0]=3 5742 B12R0.255 CCCCCCC(C)NCC(=O)O 269956a_100016091260_100011215978 [0,1,0,0,0,0|1,0,0]=2 5743 B12R0.255 CCCCCCC(C)NCC(=O)[O-] 34a_100000210919_100020667443 [0,1,0,0,0,0|1,0,1]=3 5744 B12R0.255 CCCCCCC(C)NCC(C)O 2230a_100000210904_100011215978 [0,1,0,0,0,0|2,0,1]=4 5745 B12R0.255 CCCCCCC(C)NCC(C)O 2230a_100000210919_100011218427 [0,1,0,0,0,0|2,0,1]=4 5746 B12R0.255 CCCCCCC(C)NCC(C)O 270004a_100000210904_100000210826 [0,1,0,0,0,0|2,0,1]=4 5747 B12R0.255 CCCCCCC(C)NCC(C)O 34a_100000210904_100011215978 [0,1,0,0,0,0|2,0,1]=4 5748 B12R0.255 CCCCCCC(C)NCC(C)O 34a_100000210919_100011218427 [0,1,0,0,0,0|2,0,1]=4 5749 B12R0.255 CCCCCCC(C)NC[C@@H](C)O 2230a_100000210919_100009817552 [0,1,0,0,0,0|2,0,1]=4 5750 B12R0.255 CCCCCCC(C)NC[C@@H](C)O 34a_100000210919_100009817552 [0,1,0,0,0,0|2,0,1]=4 5751 B12R0.255 CCCCCCC(C)NC[N+](=O)[O-] 34a_100000210919_100000761209 [0,1,0,0,0,0|2,0,1]=4 5752 B12R0.255 CCCCCCC(C)OCC(=O)C 34a_100000211253_100011215978 [0,1,0,0,0,0|2,0,0]=3 5753 B12R0.255 CCCCCCC(C)OCC(=O)N 34a_100000210265_100000187820 [0,1,0,0,0,0|2,0,0]=3 5754 B12R0.255 CCCCCCC(C)OCC(=O)N 7a_100000210265_100000187820 [0,1,0,0,0,0|2,0,0]=3 5755 B12R0.255 CCCCCCC(C)OCC(=O)[O-] 34a_100000210265_100020667443 [0,1,0,0,0,0|1,0,1]=3 5756 B12R0.255 CCCCCCC(C)OCC(C)O 34a_100000210265_100011218427 [0,1,0,0,0,0|2,0,1]=4 5757 B12R0.255 CCCCCCC(C)OCC(C)O 7a_100000210265_100011218427 [0,1,0,0,0,0|2,0,1]=4 5758 B12R0.255 CCCCCCC(C)OC[C@@H](C)O 34a_100000210265_100009817552 [0,1,0,0,0,0|2,0,1]=4 5759 B12R0.255 CCCCCCC(C)OC[C@@H](C)O 7a_100000210265_100009817552 [0,1,0,0,0,0|2,0,1]=4 5760 B12R0.255 CCCCCCC(C)OC[N+](=O)[O-] 34a_100000210265_100000761209 [0,1,0,0,0,0|2,0,1]=4 5761 B12R0.255 CCCCCCC(C)SCC(=O)N 62a_100000747473_100011215978 [0,1,0,0,0,0|2,0,0]=3 5762 B12R0.255 CCCCCCC(C)SCC(=O)N 62a_100011215978_100000747473 [0,1,0,0,0,0|2,0,0]=3 5763 B12R0.255 CCCCCCC(C)SCC(=O)[O-] 62a_100011215978_100020667443 [0,1,0,0,0,0|1,0,1]=3 5764 B12R0.255 CCCCCCC(C)SCC(=O)[O-] 62a_100020667443_100011215978 [0,1,0,0,0,0|1,0,1]=3 5765 B12R0.255 CCCCCCC(C)SCC(C)O 62a_100011215978_100011218427 [0,1,0,0,0,0|2,0,1]=4 5766 B12R0.255 CCCCCCC(C)SCC(C)O 62a_100011218427_100011215978 [0,1,0,0,0,0|2,0,1]=4 5767 B12R0.255 CCCCCCC(C)SC[C@@H](C)O 62a_100009817552_100011215978 [0,1,0,0,0,0|2,0,1]=4 5768 B12R0.255 CCCCCCC(C)SC[C@@H](C)O 62a_100011215978_100009817552 [0,1,0,0,0,0|2,0,1]=4 5769 B12R0.255 CCCCCCC(C)SC[N+](=O)[O-] 62a_100011215978_100000761209 [0,1,0,0,0,0|2,0,1]=4 5770 B12R0.255 CCCCCCN(C)CCC(=O)C 269982a_106256046315_100000053229 [0,1,0,0,0,0|2,0,0]=3 5771 B12R0.255 CCCCCCN(C)CCC(=O)N 2230a_100000730477_100000210314 [0,1,0,0,0,0|2,0,0]=3 5772 B12R0.255 CCCCCCN(C)CCC(=O)N 2230a_106256046315_100000744528 [0,1,0,0,0,0|2,0,0]=3 5773 B12R0.255 CCCCCCN(C)CCC(=O)N 269982a_106256046315_100000744528 [0,1,0,0,0,0|2,0,0]=3 5774 B12R0.255 CCCCCCN(C)CCC(C)O 2230a_106256046315_100012276601 [0,1,0,0,0,0|2,0,1]=4 5775 B12R0.255 CCCCCCN(C)CCC(C)O 269982a_106256046315_100012276601 [0,1,0,0,0,0|2,0,1]=4 5776 B12R0.255 CCCCCCN(C)COC(=O)C 269982a_106256046315_100000076356 [0,1,0,0,0,0|3,0,0]=4 5777 B12R0.255 CCCCCNC(=O)CCC(=O)N 240690a_100000209983_100011215257 [0,1,0,0,0,0|2,0,1]=4 5778 B12R0.255 CCCCCNC(=O)CCC(=O)N 527a_100000209983_100011215257 [0,1,0,0,0,0|2,0,1]=4 5779 B12R0.255 CCCCCNC(C)COC(=O)C 270004a_100000209983_100000000629 [0,1,0,0,0,0|3,0,0]=4 5780 B12R0.255 CCCCNCC(=O)NCC(=O)O 269956a_100000183575_100000210211 [0,1,0,0,0,0|2,0,1]=4 5781 B12R0.255 CCCCNCC(C)CSC(=O)C 2230a_100000102301_200000116872 [0,1,0,0,0,0|3,0,0]=4 5782 B12R0.255 CCCCNCC(C)CSC(=O)C 7a_106832991798_200000116872 [0,1,0,0,0,0|3,0,0]=4 5783 B12R0.255 CCCCNCC(O)COC(=O)C 7a_106832991798_200000139349 [0,1,0,0,0,0|3,0,0]=4 5784 B12R0.255 CCCCOCC(=O)CCC(=O)N 1458a_100011215257_100011995733 [0,1,0,0,0,0|2,0,1]=4 5785 B12R0.255 CCCCOCC(C)CSC(=O)C 34a_100000210227_200000116872 [0,1,0,0,0,0|3,0,0]=4 5786 B12R0.255 CCCCOCC(C)CSC(=O)C 7a_100000210227_200000116872 [0,1,0,0,0,0|3,0,0]=4 5787 B12R0.255 CCCCOCC(C)OCC(=O)N 34a_100011217071_100000187820 [0,1,0,0,0,0|3,0,0]=4 5788 B12R0.255 CCCCOCC(C)OCC(=O)N 7a_100011217071_100000187820 [0,1,0,0,0,0|3,0,0]=4 5789 B12R0.255 CCCCOCC(C)OCC(=O)[O-] 34a_100011217071_100020667443 [0,1,0,0,0,0|2,0,1]=4 5790 B12R0.255 CCCCOCC(O)COC(=O)C 34a_100000210227_200000139349 [0,1,0,0,0,0|3,0,0]=4 5791 B12R0.255 CCCCOCC(O)COC(=O)C 7a_100000210227_200000139349 [0,1,0,0,0,0|3,0,0]=4 5792 B12R0.255 CCCCOCN(C)CCC(=O)N 2230a_100000730477_100011995733 [0,1,0,0,0,0|3,0,0]=4 5793 B12R0.255 CCCCSCC(C)CSC(=O)C 62a_100000210211_200000116872 [0,1,0,0,0,0|3,0,0]=4 5794 B12R0.255 CCCCSCC(C)CSC(=O)C 62a_200000116872_100000210210 [0,1,0,0,0,0|3,0,0]=4 5795 B12R0.255 CCCCSCC(O)COC(=O)C 62a_100000210211_200000139349 [0,1,0,0,0,0|3,0,0]=4 5796 B12R0.255 CCCCSCC(O)COC(=O)C 62a_200000139349_100000210210 [0,1,0,0,0,0|3,0,0]=4 5797 B12R0.255 CCCNCCC(=O)NCC(=O)O 269956a_100000722369_100000210207 [0,1,0,0,0,0|2,0,1]=4 5798 B12R0.255 CCCOCCC(=O)CCC(=O)N 1458a_100011215257_100011215938 [0,1,0,0,0,0|2,0,1]=4 5799 B12R0.255 CCCOCCN(C)CCC(=O)N 2230a_100000730477_100011215938 [0,1,0,0,0,0|3,0,0]=4 5800 B12R0.255 CCOCCCC(=O)CCC(=O)N 1458a_100011215257_100012232248 [0,1,0,0,0,0|2,0,1]=4 5801 B12R0.255 CCOCCCN(C)CCC(=O)N 2230a_100000730477_100012232248 [0,1,0,0,0,0|3,0,0]=4 5802 B12R0.255 CN(CCCCCF)CCC(=O)N 2230a_100000730477_100000729378 [0,1,0,0,0,0|3,0,0]=4 5803 B12R0.255 CN(CCCCCO)CCC(=O)N 2230a_100000722520_100000744528 [0,1,0,0,0,0|3,0,0]=4 5804 B12R0.255 CN(CCCCCO)CCC(=O)N 2230a_100000730477_100000746330 [0,1,0,0,0,0|3,0,0]=4 5805 B12R0.255 CN(CCCCCO)CCC(=O)N 269982a_100000722520_100000744528 [0,1,0,0,0,0|3,0,0]=4 5806 B12R0.255 COCCCCC(=O)CCC(=O)N 1458a_100011215257_100000755781 [0,1,0,0,0,0|2,0,1]=4 5807 B12R0.255 COCCCCN(C)CCC(=O)N 2230a_100000730477_100000730899 [0,1,0,0,0,0|3,0,0]=4 5808 B12R0.255 NC(=O)CCC(=O)CCCCCF 1458a_100011215257_100000729378 [0,1,0,0,0,0|2,0,1]=4 5809 B12R0.255 NC(=O)CCC(=O)CCCCCO 1458a_100011215257_100000746330 [0,1,0,0,0,0|2,0,1]=4 5810 B12R0.268 C=C(Br)CCOCCCCC(C)C 34a_100009813270_100011216152 [0,1,0,0,0,0|3,0,0]=4 5811 B12R0.268 C=C(C)CCNCCCCC(=O)N 34a_100000696515_100000730704 [0,1,0,0,0,0|2,0,1]=4 5812 B12R0.268 C=C(C)CCNCCOCC(=O)O 269956a_100000700818_100000730704 [0,1,0,0,0,0|2,0,1]=4 5813 B12R0.268 C=C(C)CCOCCCCC(=O)C 34a_100000764851_100009817362 [0,1,0,0,0,0|2,0,1]=4 5814 B12R0.268 C=C(C)CCOCCCCC(=O)N 34a_100012022536_100000730704 [0,1,0,0,0,0|2,0,1]=4 5815 B12R0.268 C=C(C)CCOCCCCC(=O)N 7a_100012022536_100000730704 [0,1,0,0,0,0|2,0,1]=4 5816 B12R0.268 C=C(C)CCOCCCCC(C)C 34a_100000764851_100011216152 [0,1,0,0,0,0|3,0,0]=4 5817 B12R0.268 C=C(C)CCOCCCCC(C)C 34a_100011214890_100000730704 [0,1,0,0,0,0|3,0,0]=4 5818 B12R0.268 C=C(C)CCOCCCCC(C)C 7a_100011214890_100000730704 [0,1,0,0,0,0|3,0,0]=4 5819 B12R0.268 C=C(C)CCSCCCCC(=O)C 62a_100000730704_100000735457 [0,1,0,0,0,0|2,0,1]=4 5820 B12R0.268 C=C(C)CCSCCCCC(=O)C 62a_100000735457_100000730704 [0,1,0,0,0,0|2,0,1]=4 5821 B12R0.268 C=C(C)CCSCCCCC(C)C 62a_100000730704_100011216152 [0,1,0,0,0,0|3,0,0]=4 5822 B12R0.268 C=C(C)CCSCCCCC(C)C 62a_100011216152_100000730704 [0,1,0,0,0,0|3,0,0]=4 5823 B12R0.268 C=C(C)CNCCCCCC(C)C 2230a_100011290863_100000748629 [0,1,0,0,0,0|3,0,0]=4 5824 B12R0.268 C=C(C)CNCCCCCC(C)C 34a_100011290863_100000748629 [0,1,0,0,0,0|3,0,0]=4 5825 B12R0.268 C=C(C)COCCCCCC(=O)N 34a_100000123541_100000748629 [0,1,0,0,0,0|2,0,1]=4 5826 B12R0.268 C=C(C)COCCCCCC(=O)N 34a_100000210245_100009817443 [0,1,0,0,0,0|2,0,1]=4 5827 B12R0.268 C=C(C)COCCCCCC(=O)N 7a_100000123541_100000748629 [0,1,0,0,0,0|2,0,1]=4 5828 B12R0.268 C=C(C)COCCCCCC(=O)[O-] 7a_100102619762_100000748629 [0,1,0,0,0,0|1,0,2]=4 5829 B12R0.268 C=C(C)COCCCCCC(C)C 34a_100000210245_100000210682 [0,1,0,0,0,0|3,0,0]=4 5830 B12R0.268 C=C(C)COCCCCCC(C)C 34a_100011995859_100000748629 [0,1,0,0,0,0|3,0,0]=4 5831 B12R0.268 C=C(C)COCCCCCC(C)C 7a_100011995859_100000748629 [0,1,0,0,0,0|3,0,0]=4 5832 B12R0.268 C=C(C)CSCCCCCC(=O)N 62a_100000748629_100009817443 [0,1,0,0,0,0|2,0,1]=4 5833 B12R0.268 C=C(C)CSCCCCCC(=O)N 62a_100009817443_100000211660 [0,1,0,0,0,0|2,0,1]=4 5834 B12R0.268 C=C(C)CSCCCCCC(C)C 62a_100000210682_100000211660 [0,1,0,0,0,0|3,0,0]=4 5835 B12R0.268 C=C(C)CSCCCCCC(C)C 62a_100000748629_100000210682 [0,1,0,0,0,0|3,0,0]=4 5836 B12R0.268 C=C(F)CNCCCCCC(C)C 2230a_100011290863_100009893438 [0,1,0,0,0,0|3,0,0]=4 5837 B12R0.268 C=C(F)CNCCCCCC(C)C 34a_100011290863_100009893438 [0,1,0,0,0,0|3,0,0]=4 5838 B12R0.268 C=C(F)COCCCCCC(C)C 34a_100011995859_100009893438 [0,1,0,0,0,0|3,0,0]=4 5839 B12R0.268 C=C(F)COCCCCCC(C)C 34a_200010262243_100000210682 [0,1,0,0,0,0|3,0,0]=4 5840 B12R0.268 C=C(F)COCCCCCC(C)C 7a_100011995859_100000042424 [0,1,0,0,0,0|3,0,0]=4 5841 B12R0.268 C=C(F)CSCCCCCC(C)C 62a_100000042424_100000210682 [0,1,0,0,0,0|3,0,0]=4 5842 B12R0.268 C=C(F)CSCCCCCC(C)C 62a_100000210682_100000042424 [0,1,0,0,0,0|3,0,0]=4 5843 B12R0.268 CC(=O)CCCCNOCC(=O)O 269956a_100000106656_100000735457 [0,1,0,0,0,0|2,0,1]=4 5844 B12R0.268 CC(=O)CCCCOCCC(=O)C 34a_100000759926_100009817362 [0,1,0,0,0,0|2,0,1]=4 5845 B12R0.268 CC(=O)CCCCOCCC(=O)C 7a_100000759926_100000735457 [0,1,0,0,0,0|2,0,1]=4 5846 B12R0.268 CC(=O)CCCCOCCC(=O)N 34a_100000757172_100009817362 [0,1,0,0,0,0|2,0,1]=4 5847 B12R0.268 CC(=O)CCCCOCCC(=O)N 7a_100000757172_100000735457 [0,1,0,0,0,0|2,0,1]=4 5848 B12R0.268 CC(=O)CCCCOCCC(C)Br 34a_100009893172_100009817362 [0,1,0,0,0,0|2,0,0]=3 5849 B12R0.268 CC(=O)CCCCOCCC(C)C 34a_100000210254_100009817362 [0,1,0,0,0,0|2,0,0]=3 5850 B12R0.268 CC(=O)CCCCOCCC(C)C 7a_100000210254_100000735457 [0,1,0,0,0,0|2,0,0]=3 5851 B12R0.268 CC(=O)CCCCOCCC(F)F 34a_100103093639_100009817362 [0,1,0,0,0,0|3,0,0]=4 5852 B12R0.268 CC(=O)CCCCOCC[C@@H](C)N 34a_100000706166_100009817362 [0,1,0,0,0,0|2,0,0]=3 5853 B12R0.268 CC(=O)CCCCSCCC(=O)C 62a_100000053229_100000735457 [0,1,0,0,0,0|2,0,1]=4 5854 B12R0.268 CC(=O)CCCCSCCC(=O)C 62a_100000735457_100000053229 [0,1,0,0,0,0|2,0,1]=4 5855 B12R0.268 CC(=O)CCCCSCCC(=O)N 62a_100000735457_100000744528 [0,1,0,0,0,0|2,0,1]=4 5856 B12R0.268 CC(=O)CCCCSCCC(=O)N 62a_100000744528_100000735457 [0,1,0,0,0,0|2,0,1]=4 5857 B12R0.268 CC(=O)CCCCSCCC(C)C 62a_100000210312_100000735457 [0,1,0,0,0,0|2,0,0]=3 5858 B12R0.268 CC(=O)CCCCSCCC(C)C 62a_100000735457_100000210312 [0,1,0,0,0,0|2,0,0]=3 5859 B12R0.268 CC(=O)CCCCSCCC(C)O 62a_100000735457_100012276601 [0,1,0,0,0,0|2,0,0]=3 5860 B12R0.268 CC(=O)CCCCSCCC(C)O 62a_100012276601_100000735457 [0,1,0,0,0,0|2,0,0]=3 5861 B12R0.268 CC(=O)CCCCSCCN(C)C 62a_100000735457_100000755713 [0,1,0,0,0,0|3,0,0]=4 5862 B12R0.268 CC(=O)CCCCSCOC(C)C 62a_100000709892_100000735457 [0,1,0,0,0,0|3,0,0]=4 5863 B12R0.268 CC(=O)CCCCSCOC(C)C 62a_100000735457_100000709892 [0,1,0,0,0,0|3,0,0]=4 5864 B12R0.268 CC(=O)CCCNCCCC(=O)N 34a_100000739312_100000685027 [0,1,0,0,0,0|2,0,1]=4 5865 B12R0.268 CC(=O)CCCNCCCC(C)C 34a_200000737386_100000685027 [0,1,0,0,0,0|2,0,0]=3 5866 B12R0.268 CC(=O)CCCNCCOC(C)C 34a_100000701111_100000685027 [0,1,0,0,0,0|3,0,0]=4 5867 B12R0.268 CC(=O)CCCNCCSC(C)C 34a_100000731138_100000685027 [0,1,0,0,0,0|3,0,0]=4 5868 B12R0.268 CC(=O)CCCOCCCC(=O)C 34a_100000759063_100000685027 [0,1,0,0,0,0|2,0,1]=4 5869 B12R0.268 CC(=O)CCCOCCCC(=O)C 7a_100000759063_100011215641 [0,1,0,0,0,0|2,0,1]=4 5870 B12R0.268 CC(=O)CCCOCCCC(=O)N 34a_100000759063_100102525003 [0,1,0,0,0,0|2,0,1]=4 5871 B12R0.268 CC(=O)CCCOCCCC(=O)N 7a_100000759063_100102525003 [0,1,0,0,0,0|2,0,1]=4 5872 B12R0.268 CC(=O)CCCOCCCC(C)C 34a_100000210774_100000685027 [0,1,0,0,0,0|2,0,0]=3 5873 B12R0.268 CC(=O)CCCOCCCC(C)C 34a_100000759063_100011214892 [0,1,0,0,0,0|2,0,0]=3 5874 B12R0.268 CC(=O)CCCOCCCC(C)C 7a_100000210774_100011215641 [0,1,0,0,0,0|2,0,0]=3 5875 B12R0.268 CC(=O)CCCOCCCC(C)C 7a_100000759063_100011214892 [0,1,0,0,0,0|2,0,0]=3 5876 B12R0.268 CC(=O)CCCOCCCC(C)O 34a_100000759063_200000718107 [0,1,0,0,0,0|2,0,0]=3 5877 B12R0.268 CC(=O)CCCOCCCC(C)O 7a_100000759063_200000718107 [0,1,0,0,0,0|2,0,0]=3 5878 B12R0.268 CC(=O)CCCOCCCN(C)C 7a_100000759063_100000757444 [0,1,0,0,0,0|3,0,0]=4 5879 B12R0.268 CC(=O)CCCOCCNC(C)C 34a_100000224655_100000685027 [0,1,0,0,0,0|3,0,0]=4 5880 B12R0.268 CC(=O)CCCOCCOC(C)C 34a_100000211219_100000685027 [0,1,0,0,0,0|3,0,0]=4 5881 B12R0.268 CC(=O)CCCOCCOC(C)C 34a_100000759063_100000211751 [0,1,0,0,0,0|3,0,0]=4 5882 B12R0.268 CC(=O)CCCOCCOC(C)C 7a_100000211219_100011215641 [0,1,0,0,0,0|3,0,0]=4 5883 B12R0.268 CC(=O)CCCOCCOC(C)C 7a_100000759063_100000211751 [0,1,0,0,0,0|3,0,0]=4 5884 B12R0.268 CC(=O)CCCOCCSC(C)C 34a_100000759063_100000730970 [0,1,0,0,0,0|3,0,0]=4 5885 B12R0.268 CC(=O)CCCOCCSC(C)C 34a_200011212901_100000685027 [0,1,0,0,0,0|3,0,0]=4 5886 B12R0.268 CC(=O)CCCOCCSC(C)C 7a_100000759063_100000730970 [0,1,0,0,0,0|3,0,0]=4 5887 B12R0.268 CC(=O)CCCOCCSC(C)C 7a_200011212901_100011215641 [0,1,0,0,0,0|3,0,0]=4 5888 B12R0.268 CC(=O)CCCSCCCC(=O)C 62a_100011215641_100011215641 [0,1,0,0,0,0|2,0,1]=4 5889 B12R0.268 CC(=O)CCCSCCCC(=O)N 62a_100011215641_100102525003 [0,1,0,0,0,0|2,0,1]=4 5890 B12R0.268 CC(=O)CCCSCCCC(=O)N 62a_100102525003_100011215641 [0,1,0,0,0,0|2,0,1]=4 5891 B12R0.268 CC(=O)CCCSCCCC(C)C 62a_100011214892_100011215641 [0,1,0,0,0,0|2,0,0]=3 5892 B12R0.268 CC(=O)CCCSCCCC(C)C 62a_100011215641_100011214892 [0,1,0,0,0,0|2,0,0]=3 5893 B12R0.268 CC(=O)CCCSCCCC(C)O 62a_100011215641_200000718107 [0,1,0,0,0,0|2,0,0]=3 5894 B12R0.268 CC(=O)CCCSCCCC(C)O 62a_200000718107_100011215641 [0,1,0,0,0,0|2,0,0]=3 5895 B12R0.268 CC(=O)CCCSCCCN(C)C 62a_100011215641_100000757444 [0,1,0,0,0,0|3,0,0]=4 5896 B12R0.268 CC(=O)CCCSCCOC(C)C 62a_100000211751_100011215641 [0,1,0,0,0,0|3,0,0]=4 5897 B12R0.268 CC(=O)CCCSCCOC(C)C 62a_100011215641_100000211751 [0,1,0,0,0,0|3,0,0]=4 5898 B12R0.268 CC(=O)CCCSCCSC(C)C 62a_100000730970_100011215641 [0,1,0,0,0,0|3,0,0]=4 5899 B12R0.268 CC(=O)CCCSCCSC(C)C 62a_100011215641_100000730970 [0,1,0,0,0,0|3,0,0]=4 5900 B12R0.268 CC(=O)CCNCCOCC(=O)O 269956a_100000700818_100000053229 [0,1,0,0,0,0|2,0,1]=4 5901 B12R0.268 CC(=O)CCOCCCCC(=O)N 7a_100012022536_100000053229 [0,1,0,0,0,0|2,0,1]=4 5902 B12R0.268 CC(=O)CCOCCCCC(C)C 34a_100000759926_100011216152 [0,1,0,0,0,0|2,0,0]=3 5903 B12R0.268 CC(=O)CCOCCCCC(C)C 7a_100000759926_100011216152 [0,1,0,0,0,0|2,0,0]=3 5904 B12R0.268 CC(=O)CCOCCCCC(C)C 7a_100011214890_100000053229 [0,1,0,0,0,0|2,0,0]=3 5905 B12R0.268 CC(=O)CCOCCOCC(C)C 7a_100000703358_100000053229 [0,1,0,0,0,0|3,0,0]=4 5906 B12R0.268 CC(=O)CCOCCSCC(C)C 7a_200000230437_100000053229 [0,1,0,0,0,0|3,0,0]=4 5907 B12R0.268 CC(=O)CCSCCCCC(C)C 62a_100000053229_100011216152 [0,1,0,0,0,0|2,0,0]=3 5908 B12R0.268 CC(=O)CCSCCCCC(C)C 62a_100011216152_100000053229 [0,1,0,0,0,0|2,0,0]=3 5909 B12R0.268 CC(=O)CCSCCCCN(C)C 62a_100000053229_100000690147 [0,1,0,0,0,0|3,0,0]=4 5910 B12R0.268 CC(=O)COCCCCCC(=O)N 34a_100000211253_100009817443 [0,1,0,0,0,0|2,0,1]=4 5911 B12R0.268 CC(=O)COCCCCCC(C)C 34a_100000211253_100000210682 [0,1,0,0,0,0|2,0,0]=3 5912 B12R0.268 CC(=O)NCCCCCCC(C)C 11a_100000211014_100015343762 [0,1,0,0,0,0|2,0,0]=3 5913 B12R0.268 CC(=O)NCCCCCCC(C)C 1626a_100000211014_100015343762 [0,1,0,0,0,0|2,0,0]=3 5914 B12R0.268 CC(=O)NCCCCCCC(C)C 240690a_100000211014_100015343762 [0,1,0,0,0,0|2,0,0]=3 5915 B12R0.268 CC(=O)NCCCCCCC(C)C 527a_100000211014_100103153847 [0,1,0,0,0,0|2,0,0]=3 5916 B12R0.268 CC(=O)NCCCCCCN(C)C 240690a_200011233508_100015343762 [0,1,0,0,0,0|3,0,0]=4 5917 B12R0.268 CC(=O)NCCCCCNC(C)C 2230a_200012022750_100000210206 [0,1,0,0,0,0|3,0,0]=4 5918 B12R0.268 CC(=O)NCCCCCNC(C)C 34a_200012022750_100000210206 [0,1,0,0,0,0|3,0,0]=4 5919 B12R0.268 CC(=O)NCCCCNCC(C)C 2230a_200011368371_100000210760 [0,1,0,0,0,0|3,0,0]=4 5920 B12R0.268 CC(=O)NCCCCNCC(C)C 270004a_200011368371_100000210432 [0,1,0,0,0,0|3,0,0]=4 5921 B12R0.268 CC(=O)NCCCCNCC(C)C 34a_200011368371_100000210624 [0,1,0,0,0,0|3,0,0]=4 5922 B12R0.268 CC(=O)NCCCCNCC(C)O 2230a_200011368371_100011218427 [0,1,0,0,0,0|3,0,0]=4 5923 B12R0.268 CC(=O)NCCCCNCC(C)O 34a_200011368371_100011218427 [0,1,0,0,0,0|3,0,0]=4 5924 B12R0.268 CC(=O)NCCCCNC[C@@H](C)O 2230a_200011368371_100009817552 [0,1,0,0,0,0|3,0,0]=4 5925 B12R0.268 CC(=O)NCCCCNC[C@@H](C)O 34a_200011368371_100009817552 [0,1,0,0,0,0|3,0,0]=4 5926 B12R0.268 CC(=O)NCCCNCCC(C)C 269862a_100000736810_100000185833 [0,1,0,0,0,0|3,0,0]=4 5927 B12R0.268 CC(=O)NCCCNCCC(C)C 34a_100000736810_100000210312 [0,1,0,0,0,0|3,0,0]=4 5928 B12R0.268 CC(=O)NCCCNCCC(C)O 34a_100000736810_100012276601 [0,1,0,0,0,0|3,0,0]=4 5929 B12R0.268 CC(=O)NCCCOCCC(C)C 34a_100000752032_100000210312 [0,1,0,0,0,0|3,0,0]=4 5930 B12R0.268 CC(=O)NCCCOCCC(C)O 34a_100000752032_100012276601 [0,1,0,0,0,0|3,0,0]=4 5931 B12R0.268 CC(=O)NCCNCCCC(C)C 2230a_100000209853_100011214892 [0,1,0,0,0,0|3,0,0]=4 5932 B12R0.268 CC(=O)NCCNCCCC(C)C 2230a_200000737386_100000189650 [0,1,0,0,0,0|3,0,0]=4 5933 B12R0.268 CC(=O)NCCNCCCC(C)O 2230a_100000209853_200000718107 [0,1,0,0,0,0|3,0,0]=4 5934 B12R0.268 CC(=O)NCCOCCCC(C)C 34a_100000158858_100011214892 [0,1,0,0,0,0|3,0,0]=4 5935 B12R0.268 CC(=O)NCCOCCCC(C)C 7a_100000210774_100000189650 [0,1,0,0,0,0|3,0,0]=4 5936 B12R0.268 CC(=O)NCCOCCCC(C)O 34a_100000158858_200000718107 [0,1,0,0,0,0|3,0,0]=4 5937 B12R0.268 CC(=O)NCCSCCCC(C)C 62a_100000189650_100011214892 [0,1,0,0,0,0|3,0,0]=4 5938 B12R0.268 CC(=O)NCCSCCCC(C)C 62a_100011214892_100000189650 [0,1,0,0,0,0|3,0,0]=4 5939 B12R0.268 CC(=O)NCCSCCCC(C)O 62a_100000189650_200000718107 [0,1,0,0,0,0|3,0,0]=4 5940 B12R0.268 CC(=O)NCCSCCCC(C)O 62a_200000718107_100000189650 [0,1,0,0,0,0|3,0,0]=4 5941 B12R0.268 CC(=O)OCCCCCNC(C)C 2230a_100138425928_100009813381 [0,1,0,0,0,0|3,0,0]=4 5942 B12R0.268 CC(=O)OCCCCCNC(C)C 34a_100138425928_100000033007 [0,1,0,0,0,0|3,0,0]=4 5943 B12R0.268 CC(=O)OCCCCCOC(C)C 34a_100000212225_100000033007 [0,1,0,0,0,0|3,0,0]=4 5944 B12R0.268 CC(=O)OCCCCCSC(C)C 62a_100000033007_100000210206 [0,1,0,0,0,0|3,0,0]=4 5945 B12R0.268 CC(=O)OCCCCCSC(C)C 62a_100000210206_100000033007 [0,1,0,0,0,0|3,0,0]=4 5946 B12R0.268 CC(=O)OCCCCNCC(=O)O 269956a_100016091260_100000033659 [0,1,0,0,0,0|2,0,1]=4 5947 B12R0.268 CC(=O)OCCCCNCC(C)C 34a_100000210953_100000033659 [0,1,0,0,0,0|3,0,0]=4 5948 B12R0.268 CC(=O)OCCCCNCC(C)O 34a_100000210904_100000033659 [0,1,0,0,0,0|3,0,0]=4 5949 B12R0.268 CC(=O)OCCCCOCC(C)Br 34a_100012180447_100000033659 [0,1,0,0,0,0|3,0,0]=4 5950 B12R0.268 CC(=O)OCCCCOCC(C)C 34a_100000073216_100000210624 [0,1,0,0,0,0|3,0,0]=4 5951 B12R0.268 CC(=O)OCCCCOCC(C)C 34a_100000210257_100000033659 [0,1,0,0,0,0|3,0,0]=4 5952 B12R0.268 CC(=O)OCCCCOCC(C)C 7a_100000073216_100000210760 [0,1,0,0,0,0|3,0,0]=4 5953 B12R0.268 CC(=O)OCCCCOCC(C)F 34a_100015925927_100000033659 [0,1,0,0,0,0|3,0,0]=4 5954 B12R0.268 CC(=O)OCCCCOCC(C)O 34a_100000073216_100011218427 [0,1,0,0,0,0|3,0,0]=4 5955 B12R0.268 CC(=O)OCCCCOCC(C)O 7a_100000073216_100011218427 [0,1,0,0,0,0|3,0,0]=4 5956 B12R0.268 CC(=O)OCCCCOC[C@@H](C)Cl 34a_100016084084_100000033659 [0,1,0,0,0,0|3,0,0]=4 5957 B12R0.268 CC(=O)OCCCCOC[C@@H](C)N 34a_100000737577_100000033659 [0,1,0,0,0,0|3,0,0]=4 5958 B12R0.268 CC(=O)OCCCCOC[C@@H](C)O 34a_100000073216_100009817552 [0,1,0,0,0,0|3,0,0]=4 5959 B12R0.268 CC(=O)OCCCCOC[C@@H](C)O 7a_100000073216_100009817552 [0,1,0,0,0,0|3,0,0]=4 5960 B12R0.268 CC(=O)OCCCCSCC(C)C 62a_100000033659_100000210760 [0,1,0,0,0,0|3,0,0]=4 5961 B12R0.268 CC(=O)OCCCCSCC(C)C 62a_100000210624_100000033659 [0,1,0,0,0,0|3,0,0]=4 5962 B12R0.268 CC(=O)OCCCCSCC(C)O 62a_100000033659_100011218427 [0,1,0,0,0,0|3,0,0]=4 5963 B12R0.268 CC(=O)OCCCCSCC(C)O 62a_100011218427_100000033659 [0,1,0,0,0,0|3,0,0]=4 5964 B12R0.268 CC(=O)OCCCCSC[C@@H](C)O 62a_100000033659_100009817552 [0,1,0,0,0,0|3,0,0]=4 5965 B12R0.268 CC(=O)OCCCCSC[C@@H](C)O 62a_100009817552_100000033659 [0,1,0,0,0,0|3,0,0]=4 5966 B12R0.268 CC(=O)OCCCOCCC(C)Br 34a_100009893172_100000042594 [0,1,0,0,0,0|3,0,0]=4 5967 B12R0.268 CC(=O)OCCCOCCC(C)C 34a_100000210254_100000042594 [0,1,0,0,0,0|3,0,0]=4 5968 B12R0.268 CC(=O)OCCCOCCC(C)C 7a_100000210254_100000042594 [0,1,0,0,0,0|3,0,0]=4 5969 B12R0.268 CC(=O)OCCCOCC[C@@H](C)N 34a_100000706166_100000042594 [0,1,0,0,0,0|3,0,0]=4 5970 B12R0.268 CC(=O)OCCCSCCC(C)C 62a_100000042594_100000210312 [0,1,0,0,0,0|3,0,0]=4 5971 B12R0.268 CC(=O)OCCCSCCC(C)C 62a_100000210312_100000042594 [0,1,0,0,0,0|3,0,0]=4 5972 B12R0.268 CC(=O)OCCCSCCC(C)O 62a_100000042594_100012276601 [0,1,0,0,0,0|3,0,0]=4 5973 B12R0.268 CC(=O)OCCCSCCC(C)O 62a_100012276601_100000042594 [0,1,0,0,0,0|3,0,0]=4 5974 B12R0.268 CC(=O)OCCNCCCC(C)C 34a_200000737386_100009814007 [0,1,0,0,0,0|3,0,0]=4 5975 B12R0.268 CC(=O)OCCOCCCC(C)C 34a_100000210774_100009814007 [0,1,0,0,0,0|3,0,0]=4 5976 B12R0.268 CC(=O)OCCOCCCC(C)C 7a_100000210774_100009814007 [0,1,0,0,0,0|3,0,0]=4 5977 B12R0.268 CC(=O)OCCSCCCC(C)C 62a_100009814007_100011214892 [0,1,0,0,0,0|3,0,0]=4 5978 B12R0.268 CC(=O)OCCSCCCC(C)C 62a_100011214892_100009814007 [0,1,0,0,0,0|3,0,0]=4 5979 B12R0.268 CC(=O)OCCSCCCC(C)O 62a_100009814007_200000718107 [0,1,0,0,0,0|3,0,0]=4 5980 B12R0.268 CC(=O)OCCSCCCC(C)O 62a_200000718107_100009814007 [0,1,0,0,0,0|3,0,0]=4 5981 B12R0.268 CC(=O)OCOCCCCC(C)C 34a_100011214890_100009813279 [0,1,0,0,0,0|3,0,0]=4 5982 B12R0.268 CC(=O)OCSCCCCC(C)C 62a_100000076356_100011216152 [0,1,0,0,0,0|3,0,0]=4 5983 B12R0.268 CC(=O)OCSCCCCC(C)C 62a_100011216152_100000076356 [0,1,0,0,0,0|3,0,0]=4 5984 B12R0.268 CC(=O)SCCCCNCC(=O)O 269956a_100016091260_200010402107 [0,1,0,0,0,0|2,0,1]=4 5985 B12R0.268 CC(=O)SCCCCNCC(C)C 2230a_100000210953_200010402107 [0,1,0,0,0,0|3,0,0]=4 5986 B12R0.268 CC(=O)SCCCCNCC(C)C 34a_100000210953_200010402107 [0,1,0,0,0,0|3,0,0]=4 5987 B12R0.268 CC(=O)SCCCCNCC(C)O 2230a_100000210904_200010402107 [0,1,0,0,0,0|3,0,0]=4 5988 B12R0.268 CC(=O)SCCCCNCC(C)O 34a_100000210904_200010402107 [0,1,0,0,0,0|3,0,0]=4 5989 B12R0.268 CC(=O)SCCCCOCC(C)Br 34a_100012180447_200010402107 [0,1,0,0,0,0|3,0,0]=4 5990 B12R0.268 CC(=O)SCCCCOCC(C)C 34a_100000210257_200010402107 [0,1,0,0,0,0|3,0,0]=4 5991 B12R0.268 CC(=O)SCCCCOCC(C)F 34a_100015925927_200010402107 [0,1,0,0,0,0|3,0,0]=4 5992 B12R0.268 CC(=O)SCCCCOC[C@@H](C)Cl 34a_100016084084_200010402107 [0,1,0,0,0,0|3,0,0]=4 5993 B12R0.268 CC(=O)SCCCCOC[C@@H](C)N 34a_100000737577_200010402107 [0,1,0,0,0,0|3,0,0]=4 5994 B12R0.268 CC(=O)SCCCCSCC(C)C 62a_100000210624_200010402107 [0,1,0,0,0,0|3,0,0]=4 5995 B12R0.268 CC(=O)SCCCCSCC(C)C 62a_200010402107_100000210760 [0,1,0,0,0,0|3,0,0]=4 5996 B12R0.268 CC(=O)SCCCCSCC(C)O 62a_100011218427_200010402107 [0,1,0,0,0,0|3,0,0]=4 5997 B12R0.268 CC(=O)SCCCCSCC(C)O 62a_200010402107_100011218427 [0,1,0,0,0,0|3,0,0]=4 5998 B12R0.268 CC(=O)SCCCCSC[C@@H](C)O 62a_100009817552_200010402107 [0,1,0,0,0,0|3,0,0]=4 5999 B12R0.268 CC(=O)SCCCCSC[C@@H](C)O 62a_200010402107_100009817552 [0,1,0,0,0,0|3,0,0]=4 6000 B12R0.268 CC(=O)SCCCNCCC(C)O 2230a_200000755665_100000038929 [0,1,0,0,0,0|3,0,0]=4 6001 B12R0.268 CC(=O)SCCCOCCC(C)Br 34a_100009893172_100000038929 [0,1,0,0,0,0|3,0,0]=4 6002 B12R0.268 CC(=O)SCCCOCCC(C)C 34a_100000210254_100000038929 [0,1,0,0,0,0|3,0,0]=4 6003 B12R0.268 CC(=O)SCCCOCCC(C)C 7a_100000210254_100000038929 [0,1,0,0,0,0|3,0,0]=4 6004 B12R0.268 CC(=O)SCCCOCC[C@@H](C)N 34a_100000706166_100000038929 [0,1,0,0,0,0|3,0,0]=4 6005 B12R0.268 CC(=O)SCCCSCCC(C)C 62a_100000038929_100000210312 [0,1,0,0,0,0|3,0,0]=4 6006 B12R0.268 CC(=O)SCCCSCCC(C)C 62a_100000210312_100000038929 [0,1,0,0,0,0|3,0,0]=4 6007 B12R0.268 CC(=O)SCCCSCCC(C)O 62a_100000038929_100012276601 [0,1,0,0,0,0|3,0,0]=4 6008 B12R0.268 CC(=O)SCCCSCCC(C)O 62a_100012276601_100000038929 [0,1,0,0,0,0|3,0,0]=4 6009 B12R0.268 CC(Br)CCOCCCCB(O)O 34a_100009893172_200009817182 [0,1,0,0,0,0|2,0,1]=4 6010 B12R0.268 CC(Br)CCOCCOCC(=O)N 34a_100009893172_100000076697 [0,1,0,0,0,0|3,0,0]=4 6011 B12R0.268 CC(Br)COCCCCCB(O)O 34a_100012180447_200009817188 [0,1,0,0,0,0|2,0,1]=4 6012 B12R0.268 CC(Br)COCCCCCC(=O)N 34a_100012180447_100009817443 [0,1,0,0,0,0|2,0,0]=3 6013 B12R0.268 CC(C)CCCCCNCC(=O)N 2230a_100000711301_100000210682 [0,1,0,0,0,0|2,0,0]=3 6014 B12R0.268 CC(C)CCCCCNCC(=O)N 2230a_100011290863_100000747473 [0,1,0,0,0,0|2,0,0]=3 6015 B12R0.268 CC(C)CCCCCNCC(=O)N 34a_100011290863_100000187820 [0,1,0,0,0,0|2,0,0]=3 6016 B12R0.268 CC(C)CCCCCNCC(=O)O 269956a_100016091260_100000210682 [0,1,0,0,0,0|1,0,0]=2 6017 B12R0.268 CC(C)CCCCCNCC(=O)[O-] 34a_100011290863_100020667443 [0,1,0,0,0,0|1,0,1]=3 6018 B12R0.268 CC(C)CCCCCNCC(C)O 2230a_100000210904_100000210682 [0,1,0,0,0,0|2,0,1]=4 6019 B12R0.268 CC(C)CCCCCNCC(C)O 2230a_100011290863_100011218427 [0,1,0,0,0,0|2,0,1]=4 6020 B12R0.268 CC(C)CCCCCNCC(C)O 34a_100000210904_100000210682 [0,1,0,0,0,0|2,0,1]=4 6021 B12R0.268 CC(C)CCCCCNCC(C)O 34a_100011290863_100011218427 [0,1,0,0,0,0|2,0,1]=4 6022 B12R0.268 CC(C)CCCCCNC[C@@H](C)O 2230a_100011290863_100009817552 [0,1,0,0,0,0|2,0,1]=4 6023 B12R0.268 CC(C)CCCCCNC[C@@H](C)O 34a_100011290863_100009817552 [0,1,0,0,0,0|2,0,1]=4 6024 B12R0.268 CC(C)CCCCCNC[N+](=O)[O-] 34a_100011290863_100000761209 [0,1,0,0,0,0|2,0,1]=4 6025 B12R0.268 CC(C)CCCCCOCC(=O)N 34a_100011995859_100000187820 [0,1,0,0,0,0|2,0,0]=3 6026 B12R0.268 CC(C)CCCCCOCC(=O)N 7a_100011995859_100000187820 [0,1,0,0,0,0|2,0,0]=3 6027 B12R0.268 CC(C)CCCCCOCC(=O)[O-] 34a_100011995859_100020667443 [0,1,0,0,0,0|1,0,1]=3 6028 B12R0.268 CC(C)CCCCCOCC(C)O 34a_100011995859_100011218427 [0,1,0,0,0,0|2,0,1]=4 6029 B12R0.268 CC(C)CCCCCOCC(C)O 7a_100011995859_100011218427 [0,1,0,0,0,0|2,0,1]=4 6030 B12R0.268 CC(C)CCCCCOC[C@@H](C)O 34a_100011995859_100009817552 [0,1,0,0,0,0|2,0,1]=4 6031 B12R0.268 CC(C)CCCCCOC[C@@H](C)O 7a_100011995859_100009817552 [0,1,0,0,0,0|2,0,1]=4 6032 B12R0.268 CC(C)CCCCCOC[N+](=O)[O-] 34a_100011995859_100000761209 [0,1,0,0,0,0|2,0,1]=4 6033 B12R0.268 CC(C)CCCCCSCC(=O)N 62a_100000210682_100000747473 [0,1,0,0,0,0|2,0,0]=3 6034 B12R0.268 CC(C)CCCCCSCC(=O)N 62a_100000747473_100000210682 [0,1,0,0,0,0|2,0,0]=3 6035 B12R0.268 CC(C)CCCCCSCC(=O)[O-] 62a_100000210682_100020667443 [0,1,0,0,0,0|1,0,1]=3 6036 B12R0.268 CC(C)CCCCCSCC(=O)[O-] 62a_100020667443_100000210682 [0,1,0,0,0,0|1,0,1]=3 6037 B12R0.268 CC(C)CCCCCSCC(C)O 62a_100000210682_100011218427 [0,1,0,0,0,0|2,0,1]=4 6038 B12R0.268 CC(C)CCCCCSCC(C)O 62a_100011218427_100000210682 [0,1,0,0,0,0|2,0,1]=4 6039 B12R0.268 CC(C)CCCCCSC[C@@H](C)O 62a_100000210682_100009817552 [0,1,0,0,0,0|2,0,1]=4 6040 B12R0.268 CC(C)CCCCCSC[C@@H](C)O 62a_100009817552_100000210682 [0,1,0,0,0,0|2,0,1]=4 6041 B12R0.268 CC(C)CCCCCSC[N+](=O)[O-] 62a_100000210682_100000761209 [0,1,0,0,0,0|2,0,1]=4 6042 B12R0.268 CC(C)CCCCNCCC(C)O 2230a_200000755665_100011216152 [0,1,0,0,0,0|2,0,1]=4 6043 B12R0.268 CC(C)CCCCNOCC(=O)O 269956a_100000106656_100011216152 [0,1,0,0,0,0|2,0,0]=3 6044 B12R0.268 CC(C)CCCCOCCC(=O)N 34a_100000757172_100011216152 [0,1,0,0,0,0|2,0,0]=3 6045 B12R0.268 CC(C)CCCCOCCC(=O)N 34a_100011214890_100000731001 [0,1,0,0,0,0|2,0,0]=3 6046 B12R0.268 CC(C)CCCCOCCC(=O)N 7a_100000757172_100011216152 [0,1,0,0,0,0|2,0,0]=3 6047 B12R0.268 CC(C)CCCCOCCC(=O)N 7a_100011214890_100000744528 [0,1,0,0,0,0|2,0,0]=3 6048 B12R0.268 CC(C)CCCCOCCC(C)O 34a_100011214890_100012276601 [0,1,0,0,0,0|2,0,1]=4 6049 B12R0.268 CC(C)CCCCOCCC(C)O 7a_100011214890_100012276601 [0,1,0,0,0,0|2,0,1]=4 6050 B12R0.268 CC(C)CCCCSCCC(=O)N 62a_100000744528_100011216152 [0,1,0,0,0,0|2,0,0]=3 6051 B12R0.268 CC(C)CCCCSCCC(=O)N 62a_100011216152_100000744528 [0,1,0,0,0,0|2,0,0]=3 6052 B12R0.268 CC(C)CCCCSCCC(C)O 62a_100011216152_100012276601 [0,1,0,0,0,0|2,0,1]=4 6053 B12R0.268 CC(C)CCCCSCCC(C)O 62a_100012276601_100011216152 [0,1,0,0,0,0|2,0,1]=4 6054 B12R0.268 CC(C)CCCNCCCC(=O)N 34a_100000739312_100011214892 [0,1,0,0,0,0|2,0,0]=3 6055 B12R0.268 CC(C)CCCNCCCC(=O)N 34a_200000737386_100102525003 [0,1,0,0,0,0|2,0,0]=3 6056 B12R0.268 CC(C)CCCNCCCC(C)O 2230a_200000737386_200000718107 [0,1,0,0,0,0|2,0,1]=4 6057 B12R0.268 CC(C)CCCNCCCC(C)O 34a_200000737386_200000718107 [0,1,0,0,0,0|2,0,1]=4 6058 B12R0.268 CC(C)CCCNCCCS(=O)C 2230a_200000753449_100011214892 [0,1,0,0,0,0|3,0,0]=4 6059 B12R0.268 CC(C)CCCNCCNC(=O)N 2230a_200000737386_200000034859 [0,1,0,0,0,0|3,0,0]=4 6060 B12R0.268 CC(C)CCCNCCNC(=O)N 34a_100020590234_100011214892 [0,1,0,0,0,0|3,0,0]=4 6061 B12R0.268 CC(C)CCCNCCOC(=O)N 34a_200000737386_200011214921 [0,1,0,0,0,0|3,0,0]=4 6062 B12R0.268 CC(C)CCCOCCCC(=O)N 34a_100000210774_100102525003 [0,1,0,0,0,0|2,0,0]=3 6063 B12R0.268 CC(C)CCCOCCCC(=O)N 7a_100000210774_100102525003 [0,1,0,0,0,0|2,0,0]=3 6064 B12R0.268 CC(C)CCCOCCCC(C)O 34a_100000210774_200000718107 [0,1,0,0,0,0|2,0,1]=4 6065 B12R0.268 CC(C)CCCOCCCC(C)O 7a_100000210774_200000718107 [0,1,0,0,0,0|2,0,1]=4 6066 B12R0.268 CC(C)CCCOCCC[N+](=O)[O-] 34a_200000037920_100011214892 [0,1,0,0,0,0|2,0,1]=4 6067 B12R0.268 CC(C)CCCOCCNC(=O)N 34a_100000181757_100011214892 [0,1,0,0,0,0|3,0,0]=4 6068 B12R0.268 CC(C)CCCOCCNC(=O)N 7a_100000210774_200000034859 [0,1,0,0,0,0|3,0,0]=4 6069 B12R0.268 CC(C)CCCOCCOC(=O)N 34a_100000210774_200011214921 [0,1,0,0,0,0|3,0,0]=4 6070 B12R0.268 CC(C)CCCOCCOC(=O)N 7a_100000210774_200011214921 [0,1,0,0,0,0|3,0,0]=4 6071 B12R0.268 CC(C)CCCOCCOC(=O)N 7a_100000766696_100011214892 [0,1,0,0,0,0|3,0,0]=4 6072 B12R0.268 CC(C)CCCSCCCC(=O)N 62a_100011214892_100102525003 [0,1,0,0,0,0|2,0,0]=3 6073 B12R0.268 CC(C)CCCSCCCC(=O)N 62a_100102525003_100011214892 [0,1,0,0,0,0|2,0,0]=3 6074 B12R0.268 CC(C)CCCSCCCC(C)O 62a_100011214892_200000718107 [0,1,0,0,0,0|2,0,1]=4 6075 B12R0.268 CC(C)CCCSCCCC(C)O 62a_200000718107_100011214892 [0,1,0,0,0,0|2,0,1]=4 6076 B12R0.268 CC(C)CCCSCCNC(=O)N 62a_100011214892_200000034859 [0,1,0,0,0,0|3,0,0]=4 6077 B12R0.268 CC(C)CCCSCCNC(=O)N 62a_200000034859_100011214892 [0,1,0,0,0,0|3,0,0]=4 6078 B12R0.268 CC(C)CCCSCCOC(=O)N 62a_100011214892_200011214921 [0,1,0,0,0,0|3,0,0]=4 6079 B12R0.268 CC(C)CCCSCCOC(=O)N 62a_200011214921_100011214892 [0,1,0,0,0,0|3,0,0]=4 6080 B12R0.268 CC(C)CCNCCCCC(=O)N 269862a_100000696515_100000185833 [0,1,0,0,0,0|2,0,0]=3 6081 B12R0.268 CC(C)CCNCCCCC(=O)N 34a_100000696515_100000210312 [0,1,0,0,0,0|2,0,0]=3 6082 B12R0.268 CC(C)CCNCCOCC(=O)O 269956a_100000700818_100000210312 [0,1,0,0,0,0|2,0,0]=3 6083 B12R0.268 CC(C)CCOCCCCB(O)O 34a_100000210254_200009817182 [0,1,0,0,0,0|2,0,1]=4 6084 B12R0.268 CC(C)CCOCCCCB(O)O 7a_100000210254_200009817182 [0,1,0,0,0,0|2,0,1]=4 6085 B12R0.268 CC(C)CCOCCCCC(=O)N 34a_100012022536_100000210312 [0,1,0,0,0,0|2,0,0]=3 6086 B12R0.268 CC(C)CCOCCCCC(=O)N 7a_100012022536_100000210626 [0,1,0,0,0,0|2,0,0]=3 6087 B12R0.268 CC(C)CCOCCCC[N+](=O)[O-] 34a_200015379883_100000210312 [0,1,0,0,0,0|2,0,1]=4 6088 B12R0.268 CC(C)CCOCCCC[N+](=O)[O-] 7a_200015379883_100000210626 [0,1,0,0,0,0|2,0,1]=4 6089 B12R0.268 CC(C)CCOCCOCC(=O)N 34a_100000210254_100000076697 [0,1,0,0,0,0|3,0,0]=4 6090 B12R0.268 CC(C)CCOCCOCC(=O)N 7a_100000210254_100000076697 [0,1,0,0,0,0|3,0,0]=4 6091 B12R0.268 CC(C)CCSCCCCB(O)O 62a_100000210312_200009817182 [0,1,0,0,0,0|2,0,1]=4 6092 B12R0.268 CC(C)CCSCCCCB(O)O 62a_200009817182_100000210312 [0,1,0,0,0,0|2,0,1]=4 6093 B12R0.268 CC(C)CCSCCOCC(=O)N 62a_100000076697_100000210312 [0,1,0,0,0,0|3,0,0]=4 6094 B12R0.268 CC(C)CCSCCOCC(=O)N 62a_100000210312_100000076697 [0,1,0,0,0,0|3,0,0]=4 6095 B12R0.268 CC(C)CNCCCCCB(O)O 2230a_100000210953_200009817188 [0,1,0,0,0,0|2,0,1]=4 6096 B12R0.268 CC(C)CNCCCCCB(O)O 34a_100000210953_200009817188 [0,1,0,0,0,0|2,0,1]=4 6097 B12R0.268 CC(C)CNCCCCCC(=O)N 2230a_100000210953_100009817443 [0,1,0,0,0,0|2,0,0]=3 6098 B12R0.268 CC(C)CNCCCCCC(=O)N 34a_100000210953_100009817443 [0,1,0,0,0,0|2,0,0]=3 6099 B12R0.268 CC(C)CNCCOCCC(=O)N 34a_100015185251_100000731001 [0,1,0,0,0,0|3,0,0]=4 6100 B12R0.268 CC(C)COCCCCCB(O)O 34a_100000210257_200009817188 [0,1,0,0,0,0|2,0,1]=4 6101 B12R0.268 CC(C)COCCCCCC(=O)N 34a_100000123541_100000210624 [0,1,0,0,0,0|2,0,0]=3 6102 B12R0.268 CC(C)COCCCCCC(=O)N 34a_100000210257_100009817443 [0,1,0,0,0,0|2,0,0]=3 6103 B12R0.268 CC(C)COCCCCCC(=O)N 7a_100000123541_100000210760 [0,1,0,0,0,0|2,0,0]=3 6104 B12R0.268 CC(C)COCCCCCC(=O)[O-] 7a_100102619762_100000210760 [0,1,0,0,0,0|1,0,1]=3 6105 B12R0.268 CC(C)COCCCNCC(=O)N 2230a_100000205972_100000747473 [0,1,0,0,0,0|3,0,0]=4 6106 B12R0.268 CC(C)COCCCNCC(=O)N 34a_100000205972_100000187820 [0,1,0,0,0,0|3,0,0]=4 6107 B12R0.268 CC(C)COCCCNCC(=O)[O-] 34a_100000205972_100020667443 [0,1,0,0,0,0|2,0,1]=4 6108 B12R0.268 CC(C)COCCOCCC(=O)N 34a_100000703358_100000731001 [0,1,0,0,0,0|3,0,0]=4 6109 B12R0.268 CC(C)COCCOCCC(=O)N 7a_100000703358_100000744528 [0,1,0,0,0,0|3,0,0]=4 6110 B12R0.268 CC(C)CSCCCCCB(O)O 62a_100000210624_200009817188 [0,1,0,0,0,0|2,0,1]=4 6111 B12R0.268 CC(C)CSCCCCCB(O)O 62a_200009817188_100000210760 [0,1,0,0,0,0|2,0,1]=4 6112 B12R0.268 CC(C)CSCCCCCC(=O)N 62a_100000210624_100009817443 [0,1,0,0,0,0|2,0,0]=3 6113 B12R0.268 CC(C)CSCCCCCC(=O)N 62a_100009817443_100000210760 [0,1,0,0,0,0|2,0,0]=3 6114 B12R0.268 CC(C)CSCCOCCC(=O)N 34a_200000230437_100000731001 [0,1,0,0,0,0|3,0,0]=4 6115 B12R0.268 CC(C)CSCCOCCC(=O)N 7a_200000230437_100000744528 [0,1,0,0,0,0|3,0,0]=4 6116 B12R0.268 CC(C)NCCCCCCB(O)O 2230a_100138425928_100009817187 [0,1,0,0,0,0|2,0,1]=4 6117 B12R0.268 CC(C)NCCCCCCB(O)O 34a_100138425928_100009817187 [0,1,0,0,0,0|2,0,1]=4 6118 B12R0.268 CC(C)NCCCCOCC(=O)N 34a_100011521146_100000187820 [0,1,0,0,0,0|3,0,0]=4 6119 B12R0.268 CC(C)NCCCCOCC(=O)[O-] 34a_100011521146_100020667443 [0,1,0,0,0,0|2,0,1]=4 6120 B12R0.268 CC(C)NCCCOCCC(=O)N 34a_100000182298_100000731001 [0,1,0,0,0,0|3,0,0]=4 6121 B12R0.268 CC(C)NCCOCCCC(=O)N 34a_100000224655_100102525003 [0,1,0,0,0,0|3,0,0]=4 6122 B12R0.268 CC(C)OCCCCCCB(O)O 34a_100000212225_100009817187 [0,1,0,0,0,0|2,0,1]=4 6123 B12R0.268 CC(C)OCCCNCCC(=O)N 2230a_100000737246_100000744528 [0,1,0,0,0,0|3,0,0]=4 6124 B12R0.268 CC(C)OCCCNCCC(=O)N 34a_100000737246_100000731001 [0,1,0,0,0,0|3,0,0]=4 6125 B12R0.268 CC(C)OCCNCCCC(=O)N 34a_100000701111_100102525003 [0,1,0,0,0,0|3,0,0]=4 6126 B12R0.268 CC(C)OCCNCCCC(=O)N 34a_100000739312_100000211751 [0,1,0,0,0,0|3,0,0]=4 6127 B12R0.268 CC(C)OCCOCCCC(=O)N 34a_100000211219_100102525003 [0,1,0,0,0,0|3,0,0]=4 6128 B12R0.268 CC(C)OCCOCCCC(=O)N 7a_100000211219_100102525003 [0,1,0,0,0,0|3,0,0]=4 6129 B12R0.268 CC(C)OCCSCCCC(=O)N 62a_100000211751_100102525003 [0,1,0,0,0,0|3,0,0]=4 6130 B12R0.268 CC(C)OCCSCCCC(=O)N 62a_100102525003_100000211751 [0,1,0,0,0,0|3,0,0]=4 6131 B12R0.268 CC(C)OCNCCCCC(=O)N 34a_100000696515_100000709892 [0,1,0,0,0,0|3,0,0]=4 6132 B12R0.268 CC(C)OCNCCOCC(=O)O 269956a_100000700818_100000709892 [0,1,0,0,0,0|3,0,0]=4 6133 B12R0.268 CC(C)OCOCCCCC(=O)N 34a_100012022536_100000709892 [0,1,0,0,0,0|3,0,0]=4 6134 B12R0.268 CC(C)SCCCCCCB(O)O 62a_100000210206_100009817187 [0,1,0,0,0,0|2,0,1]=4 6135 B12R0.268 CC(C)SCCCCCCB(O)O 62a_100009817187_100000210206 [0,1,0,0,0,0|2,0,1]=4 6136 B12R0.268 CC(C)SCCNCCCC(=O)N 34a_100000731138_100102525003 [0,1,0,0,0,0|3,0,0]=4 6137 B12R0.268 CC(C)SCCNCCCC(=O)N 34a_100000739312_100000730970 [0,1,0,0,0,0|3,0,0]=4 6138 B12R0.268 CC(C)SCCOCCCC(=O)N 34a_200011212901_100102525003 [0,1,0,0,0,0|3,0,0]=4 6139 B12R0.268 CC(C)SCCOCCCC(=O)N 7a_200011212901_100102525003 [0,1,0,0,0,0|3,0,0]=4 6140 B12R0.268 CC(C)SCCSCCCC(=O)N 62a_100000730970_100102525003 [0,1,0,0,0,0|3,0,0]=4 6141 B12R0.268 CC(C)SCCSCCCC(=O)N 62a_100102525003_100000730970 [0,1,0,0,0,0|3,0,0]=4 6142 B12R0.268 CC(F)COCCCCCB(O)O 34a_100015925927_200009817188 [0,1,0,0,0,0|2,0,1]=4 6143 B12R0.268 CC(F)COCCCCCC(=O)N 34a_100015925927_100009817443 [0,1,0,0,0,0|2,0,0]=3 6144 B12R0.268 CC(O)CCCNCCCC(=O)N 34a_100000739312_200000718107 [0,1,0,0,0,0|2,0,0]=3 6145 B12R0.268 CC(O)CCCNCCCS(=O)C 2230a_200000753449_200000718107 [0,1,0,0,0,0|3,0,0]=4 6146 B12R0.268 CC(O)CCCNCCNC(=O)N 34a_100020590234_200000718107 [0,1,0,0,0,0|3,0,0]=4 6147 B12R0.268 CC(O)CCCOCCC[N+](=O)[O-] 34a_200000037920_200000718107 [0,1,0,0,0,0|2,0,1]=4 6148 B12R0.268 CC(O)CCCOCCNC(=O)N 34a_100000181757_200000718107 [0,1,0,0,0,0|3,0,0]=4 6149 B12R0.268 CC(O)CCCOCCOC(=O)N 7a_100000766696_200000718107 [0,1,0,0,0,0|3,0,0]=4 6150 B12R0.268 CC(O)CCCSCCCC(=O)N 62a_100102525003_200000718107 [0,1,0,0,0,0|2,0,0]=3 6151 B12R0.268 CC(O)CCCSCCCC(=O)N 62a_200000718107_100102525003 [0,1,0,0,0,0|2,0,0]=3 6152 B12R0.268 CC(O)CCCSCCCC(C)O 62a_200000718107_200000718107 [0,1,0,0,0,0|2,0,1]=4 6153 B12R0.268 CC(O)CCCSCCNC(=O)N 62a_200000034859_200000718107 [0,1,0,0,0,0|3,0,0]=4 6154 B12R0.268 CC(O)CCCSCCNC(=O)N 62a_200000718107_200000034859 [0,1,0,0,0,0|3,0,0]=4 6155 B12R0.268 CC(O)CCCSCCOC(=O)N 62a_200000718107_200011214921 [0,1,0,0,0,0|3,0,0]=4 6156 B12R0.268 CC(O)CCCSCCOC(=O)N 62a_200011214921_200000718107 [0,1,0,0,0,0|3,0,0]=4 6157 B12R0.268 CC(O)CCNCCCCB(O)O 2230a_200000755665_200009817182 [0,1,0,0,0,0|2,0,1]=4 6158 B12R0.268 CC(O)CCNCCCCC(=O)N 34a_100000696515_100012276601 [0,1,0,0,0,0|2,0,0]=3 6159 B12R0.268 CC(O)CCNCCOCC(=O)N 2230a_200000755665_100000076697 [0,1,0,0,0,0|3,0,0]=4 6160 B12R0.268 CC(O)CCNCCOCC(=O)O 269956a_100000700818_100012276601 [0,1,0,0,0,0|2,0,0]=3 6161 B12R0.268 CC(O)CCOCCCCC(=O)N 34a_100012022536_100012276601 [0,1,0,0,0,0|2,0,0]=3 6162 B12R0.268 CC(O)CCOCCCCC(=O)N 7a_100012022536_100012276601 [0,1,0,0,0,0|2,0,0]=3 6163 B12R0.268 CC(O)CCOCCCC[N+](=O)[O-] 34a_200015379883_100012276601 [0,1,0,0,0,0|2,0,1]=4 6164 B12R0.268 CC(O)CCOCCCC[N+](=O)[O-] 7a_200015379883_100012276601 [0,1,0,0,0,0|2,0,1]=4 6165 B12R0.268 CC(O)CCSCCCCB(O)O 62a_100012276601_200009817182 [0,1,0,0,0,0|2,0,1]=4 6166 B12R0.268 CC(O)CCSCCCCB(O)O 62a_200009817182_100012276601 [0,1,0,0,0,0|2,0,1]=4 6167 B12R0.268 CC(O)CCSCCOCC(=O)N 62a_100000076697_100012276601 [0,1,0,0,0,0|3,0,0]=4 6168 B12R0.268 CC(O)CCSCCOCC(=O)N 62a_100012276601_100000076697 [0,1,0,0,0,0|3,0,0]=4 6169 B12R0.268 CC(O)CNCCCCCB(O)O 2230a_100000210904_200009817188 [0,1,0,0,0,0|2,0,1]=4 6170 B12R0.268 CC(O)CNCCCCCB(O)O 34a_100000210904_200009817188 [0,1,0,0,0,0|2,0,1]=4 6171 B12R0.268 CC(O)CNCCCCCC(=O)N 2230a_100000210904_100009817443 [0,1,0,0,0,0|2,0,0]=3 6172 B12R0.268 CC(O)CNCCCCCC(=O)N 34a_100000210904_100009817443 [0,1,0,0,0,0|2,0,0]=3 6173 B12R0.268 CC(O)COCCCCCC(=O)N 34a_100000123541_100011218427 [0,1,0,0,0,0|2,0,0]=3 6174 B12R0.268 CC(O)COCCCCCC(=O)N 7a_100000123541_100011218427 [0,1,0,0,0,0|2,0,0]=3 6175 B12R0.268 CC(O)COCCCCCC(=O)[O-] 7a_100102619762_100011218427 [0,1,0,0,0,0|1,0,1]=3 6176 B12R0.268 CC(O)CSCCCCCB(O)O 62a_100011218427_200009817188 [0,1,0,0,0,0|2,0,1]=4 6177 B12R0.268 CC(O)CSCCCCCB(O)O 62a_200009817188_100011218427 [0,1,0,0,0,0|2,0,1]=4 6178 B12R0.268 CC(O)CSCCCCCC(=O)N 62a_100009817443_100011218427 [0,1,0,0,0,0|2,0,0]=3 6179 B12R0.268 CC(O)CSCCCCCC(=O)N 62a_100011218427_100009817443 [0,1,0,0,0,0|2,0,0]=3 6180 B12R0.268 CN(C)CCCCNOCC(=O)O 269956a_100000106656_100000690147 [0,1,0,0,0,0|3,0,0]=4 6181 B12R0.268 CN(C)CCCCSCCC(=O)N 62a_100000744528_100000690147 [0,1,0,0,0,0|3,0,0]=4 6182 B12R0.268 CN(C)CCCSCCCC(=O)N 62a_100102525003_100000757444 [0,1,0,0,0,0|3,0,0]=4 6183 B12R0.268 CN(C)CCNCCOCC(=O)O 269956a_100000700818_100000755713 [0,1,0,0,0,0|3,0,0]=4 6184 B12R0.268 CN(C)CCOCCCCC(=O)N 7a_100012022536_100000755713 [0,1,0,0,0,0|3,0,0]=4 6185 B12R0.268 C[C@@H](Cl)COCCCCCB(O)O 34a_100016084084_200009817188 [0,1,0,0,0,0|2,0,1]=4 6186 B12R0.268 C[C@@H](Cl)COCCCCCC(=O)N 34a_100016084084_100009817443 [0,1,0,0,0,0|2,0,0]=3 6187 B12R0.268 C[C@@H](N)CCOCCCCB(O)O 34a_100000706166_200009817182 [0,1,0,0,0,0|2,0,1]=4 6188 B12R0.268 C[C@@H](N)CCOCCOCC(=O)N 34a_100000706166_100000076697 [0,1,0,0,0,0|3,0,0]=4 6189 B12R0.268 C[C@@H](N)COCCCCCB(O)O 34a_100000737577_200009817188 [0,1,0,0,0,0|2,0,1]=4 6190 B12R0.268 C[C@@H](N)COCCCCCC(=O)N 34a_100000737577_100009817443 [0,1,0,0,0,0|2,0,0]=3 6191 B12R0.268 C[C@@H](O)COCCCCCC(=O)N 34a_100000123541_100009817552 [0,1,0,0,0,0|2,0,0]=3 6192 B12R0.268 C[C@@H](O)COCCCCCC(=O)N 7a_100000123541_100009817552 [0,1,0,0,0,0|2,0,0]=3 6193 B12R0.268 C[C@@H](O)COCCCCCC(=O)[O-] 7a_100102619762_100009817552 [0,1,0,0,0,0|1,0,1]=3 6194 B12R0.268 C[C@@H](O)CSCCCCCB(O)O 62a_100009817552_200009817188 [0,1,0,0,0,0|2,0,1]=4 6195 B12R0.268 C[C@@H](O)CSCCCCCB(O)O 62a_200009817188_100009817552 [0,1,0,0,0,0|2,0,1]=4 6196 B12R0.268 C[C@@H](O)CSCCCCCC(=O)N 62a_100009817443_100009817552 [0,1,0,0,0,0|2,0,0]=3 6197 B12R0.268 C[C@@H](O)CSCCCCCC(=O)N 62a_100009817552_100009817443 [0,1,0,0,0,0|2,0,0]=3 6198 B12R0.268 NC(=O)CCCCCNCC(=O)O 269956a_100016091260_100009817443 [0,1,0,0,0,0|2,0,1]=4 6199 B12R0.268 NC(=O)CCCCCNCC(F)F 34a_100000765723_100009817443 [0,1,0,0,0,0|3,0,0]=4 6200 B12R0.268 NC(=O)CCCCCOCC(F)F 34a_100000123541_100011934356 [0,1,0,0,0,0|3,0,0]=4 6201 B12R0.268 NC(=O)CCCCCOCC(F)F 34a_100000743014_100009817443 [0,1,0,0,0,0|3,0,0]=4 6202 B12R0.268 NC(=O)CCCCCOCC(F)F 7a_100000123541_100011934356 [0,1,0,0,0,0|3,0,0]=4 6203 B12R0.268 NC(=O)CCCCCSCC(F)F 62a_100009817443_100011934356 [0,1,0,0,0,0|3,0,0]=4 6204 B12R0.268 NC(=O)CCCCCSCC(F)F 62a_100011934356_100009817443 [0,1,0,0,0,0|3,0,0]=4 6205 B12R0.268 O=C(O)CNCCCCCB(O)O 269956a_100016091260_200009817188 [0,1,0,0,0,0|3,0,0]=4 6206 B12R0.268 O=C([O-])CCCCCOCC(F)F 7a_100102619762_100011934356 [0,1,0,0,0,0|2,0,1]=4 6207 B12R0.277 C=C(C)CCOCCC(C)CCC 34a_100011217855_100000730704 [0,1,0,0,0,0|3,0,0]=4 6208 B12R0.277 C=C(C)CCOCCC(C)CCC 7a_100011217855_100000730704 [0,1,0,0,0,0|3,0,0]=4 6209 B12R0.277 C=C(C)CCOCC[C@@H](N)CCC 34a_100015193777_100000730704 [0,1,0,0,0,0|3,0,0]=4 6210 B12R0.277 C=C(C)COCCCC(C)CCC 34a_100011713154_100000748629 [0,1,0,0,0,0|3,0,0]=4 6211 B12R0.277 C=C(C)COCCCC(C)CCC 7a_100011713154_100000748629 [0,1,0,0,0,0|3,0,0]=4 6212 B12R0.277 C=C(F)COCCCC(C)CCC 34a_100011713154_100009893438 [0,1,0,0,0,0|3,0,0]=4 6213 B12R0.277 C=C(F)COCCCC(C)CCC 7a_100011713154_100000042424 [0,1,0,0,0,0|3,0,0]=4 6214 B12R0.277 CC(=O)CCCCN[C@H](C)CCO 34a_100000706166_100009817362 [0,1,0,0,0,0|3,0,0]=4 6215 B12R0.277 CC(=O)CCCCOC(C)CCBr 34a_100012276601_100009817362 [0,1,0,0,0,0|3,0,0]=4 6216 B12R0.277 CC(=O)CCCCSC(C)CCO 62a_100000735457_100009893172 [0,1,0,0,0,0|3,0,0]=4 6217 B12R0.277 CC(=O)CCCCSC(C)CCO 62a_100009893172_100000735457 [0,1,0,0,0,0|3,0,0]=4 6218 B12R0.277 CC(=O)CCCOCC(C)CCN 34a_106354213184_100000685027 [0,1,0,0,0,0|3,0,0]=4 6219 B12R0.277 CC(CCN)COCCCC(=O)N 34a_106354213184_100102525003 [0,1,0,0,0,0|3,0,0]=4 6220 B12R0.277 CC(CCO)NCCCCC(=O)N 34a_100000696515_100009893172 [0,1,0,0,0,0|3,0,0]=4 6221 B12R0.277 CC(CCO)NCCOCC(=O)O 269956a_100000700818_100009893172 [0,1,0,0,0,0|3,0,0]=4 6222 B12R0.277 CC(CCO)OCCCCC(=O)N 34a_100012022536_100009893172 [0,1,0,0,0,0|3,0,0]=4 6223 B12R0.277 CC(CCO)OCCCCC(=O)N 7a_100012022536_100009893172 [0,1,0,0,0,0|3,0,0]=4 6224 B12R0.277 CCCC(=O)CCCCCB(O)O 1458a_100000211992_200009817188 [0,1,0,0,0,0|1,0,2]=4 6225 B12R0.277 CCCC(=O)CCCCCC(=O)N 1458a_100000211992_100009817443 [0,1,0,0,0,0|1,0,1]=3 6226 B12R0.277 CCCC(=O)CCCCC[N+](=O)[O-] 1458a_100000043470_100000210303 [0,1,0,0,0,0|1,0,2]=4 6227 B12R0.277 CCCC(=O)CCCCOC(=O)C 1458a_100000211992_100000033659 [0,1,0,0,0,0|2,0,1]=4 6228 B12R0.277 CCCC(=O)CCCCSC(=O)C 1458a_100000211992_200010402107 [0,1,0,0,0,0|2,0,1]=4 6229 B12R0.277 CCCC(=O)COCCCC(=O)C 7a_100000759063_100000747444 [0,1,0,0,0,0|2,0,1]=4 6230 B12R0.277 CCCC(=O)CSCCCC(=O)C 62a_100000747444_100011215641 [0,1,0,0,0,0|2,0,1]=4 6231 B12R0.277 CCCC(=O)CSCCCC(=O)C 62a_100011215641_100000747444 [0,1,0,0,0,0|2,0,1]=4 6232 B12R0.277 CCCC(=O)CSCCCC(=O)N 62a_100000747444_100102525003 [0,1,0,0,0,0|2,0,1]=4 6233 B12R0.277 CCCC(=O)CSCCCC(=O)N 62a_100102525003_100000747444 [0,1,0,0,0,0|2,0,1]=4 6234 B12R0.277 CCCC(=O)NCCCCC(=O)N 11a_100000696515_100000211992 [0,1,0,0,0,0|2,0,1]=4 6235 B12R0.277 CCCC(=O)NCCCCC(=O)N 1626a_100000696515_100000211992 [0,1,0,0,0,0|2,0,1]=4 6236 B12R0.277 CCCC(=O)NCCCCC(=O)N 240690a_100000696515_100000211992 [0,1,0,0,0,0|2,0,1]=4 6237 B12R0.277 CCCC(=O)NCCCCC(=O)N 527a_100000696515_100000211992 [0,1,0,0,0,0|2,0,1]=4 6238 B12R0.277 CCCC(C)CCCOCC(=O)N 34a_100011713154_100000187820 [0,1,0,0,0,0|2,0,0]=3 6239 B12R0.277 CCCC(C)CCCOCC(=O)N 7a_100011713154_100000187820 [0,1,0,0,0,0|2,0,0]=3 6240 B12R0.277 CCCC(C)CCCOCC(=O)[O-] 34a_100011713154_100020667443 [0,1,0,0,0,0|1,0,1]=3 6241 B12R0.277 CCCC(C)CCCOCC(C)O 34a_100011713154_100011218427 [0,1,0,0,0,0|2,0,1]=4 6242 B12R0.277 CCCC(C)CCCOCC(C)O 7a_100011713154_100011218427 [0,1,0,0,0,0|2,0,1]=4 6243 B12R0.277 CCCC(C)CCCOC[C@@H](C)O 34a_100011713154_100009817552 [0,1,0,0,0,0|2,0,1]=4 6244 B12R0.277 CCCC(C)CCCOC[C@@H](C)O 7a_100011713154_100009817552 [0,1,0,0,0,0|2,0,1]=4 6245 B12R0.277 CCCC(C)CCCOC[N+](=O)[O-] 34a_100011713154_100000761209 [0,1,0,0,0,0|2,0,1]=4 6246 B12R0.277 CCCC(C)CCOCCC(=O)C 7a_100011217855_100000053229 [0,1,0,0,0,0|2,0,0]=3 6247 B12R0.277 CCCC(C)CCOCCC(=O)N 34a_100011217855_100000731001 [0,1,0,0,0,0|2,0,0]=3 6248 B12R0.277 CCCC(C)CCOCCC(=O)N 7a_100011217855_100000744528 [0,1,0,0,0,0|2,0,0]=3 6249 B12R0.277 CCCC(C)CCOCCC(C)O 34a_100011217855_100012276601 [0,1,0,0,0,0|2,0,1]=4 6250 B12R0.277 CCCC(C)CCOCCC(C)O 7a_100011217855_100012276601 [0,1,0,0,0,0|2,0,1]=4 6251 B12R0.277 CCCC(C)CCOCOC(=O)C 34a_100011217855_100009813279 [0,1,0,0,0,0|3,0,0]=4 6252 B12R0.277 CCCC(C)CNCCCC(=O)N 34a_100000739312_100011216630 [0,1,0,0,0,0|2,0,0]=3 6253 B12R0.277 CCCC(C)CNCCCS(=O)C 2230a_200000753449_100011216630 [0,1,0,0,0,0|3,0,0]=4 6254 B12R0.277 CCCC(C)CNCCCS(=O)C 270004a_200000753449_100000243154 [0,1,0,0,0,0|3,0,0]=4 6255 B12R0.277 CCCC(C)CNCCNC(=O)C 2230a_100000209853_100011216630 [0,1,0,0,0,0|3,0,0]=4 6256 B12R0.277 CCCC(C)CNCCNC(=O)N 34a_100020590234_100011216630 [0,1,0,0,0,0|3,0,0]=4 6257 B12R0.277 CCCC(C)COCCCC(=O)C 34a_100000688023_100000685027 [0,1,0,0,0,0|2,0,0]=3 6258 B12R0.277 CCCC(C)COCCCC(=O)C 34a_100000759063_100011216630 [0,1,0,0,0,0|2,0,0]=3 6259 B12R0.277 CCCC(C)COCCCC(=O)C 7a_100000688023_100011215641 [0,1,0,0,0,0|2,0,0]=3 6260 B12R0.277 CCCC(C)COCCCC(=O)C 7a_100000759063_100011216630 [0,1,0,0,0,0|2,0,0]=3 6261 B12R0.277 CCCC(C)COCCCC(=O)N 34a_100000688023_100102525003 [0,1,0,0,0,0|2,0,0]=3 6262 B12R0.277 CCCC(C)COCCCC(=O)N 7a_100000688023_100102525003 [0,1,0,0,0,0|2,0,0]=3 6263 B12R0.277 CCCC(C)COCCCC(C)O 34a_100000688023_200000718107 [0,1,0,0,0,0|2,0,1]=4 6264 B12R0.277 CCCC(C)COCCCC(C)O 7a_100000688023_200000718107 [0,1,0,0,0,0|2,0,1]=4 6265 B12R0.277 CCCC(C)COCCC[N+](=O)[O-] 34a_200000037920_100011216630 [0,1,0,0,0,0|2,0,1]=4 6266 B12R0.277 CCCC(C)COCCNC(=O)C 34a_100000158858_100011216630 [0,1,0,0,0,0|3,0,0]=4 6267 B12R0.277 CCCC(C)COCCNC(=O)C 7a_100000688023_100000189650 [0,1,0,0,0,0|3,0,0]=4 6268 B12R0.277 CCCC(C)COCCNC(=O)N 34a_100000181757_100011216630 [0,1,0,0,0,0|3,0,0]=4 6269 B12R0.277 CCCC(C)COCCNC(=O)N 7a_100000688023_200000034859 [0,1,0,0,0,0|3,0,0]=4 6270 B12R0.277 CCCC(C)COCCOC(=O)C 34a_100000688023_100009814007 [0,1,0,0,0,0|3,0,0]=4 6271 B12R0.277 CCCC(C)COCCOC(=O)C 7a_100000688023_100009814007 [0,1,0,0,0,0|3,0,0]=4 6272 B12R0.277 CCCC(C)COCCOC(=O)N 34a_100000688023_200011214921 [0,1,0,0,0,0|3,0,0]=4 6273 B12R0.277 CCCC(C)COCCOC(=O)N 7a_100000688023_200011214921 [0,1,0,0,0,0|3,0,0]=4 6274 B12R0.277 CCCC(C)COCCOC(=O)N 7a_100000766696_100011216630 [0,1,0,0,0,0|3,0,0]=4 6275 B12R0.277 CCCC(C)CSCCCC(=O)C 62a_100011215641_100011216630 [0,1,0,0,0,0|2,0,0]=3 6276 B12R0.277 CCCC(C)CSCCCC(=O)C 62a_100011216630_100011215641 [0,1,0,0,0,0|2,0,0]=3 6277 B12R0.277 CCCC(C)CSCCCC(=O)N 62a_100011216630_100102525003 [0,1,0,0,0,0|2,0,0]=3 6278 B12R0.277 CCCC(C)CSCCCC(=O)N 62a_100102525003_100011216630 [0,1,0,0,0,0|2,0,0]=3 6279 B12R0.277 CCCC(C)CSCCCC(C)O 62a_100011216630_200000718107 [0,1,0,0,0,0|2,0,1]=4 6280 B12R0.277 CCCC(C)CSCCCC(C)O 62a_200000718107_100011216630 [0,1,0,0,0,0|2,0,1]=4 6281 B12R0.277 CCCC(C)CSCCNC(=O)C 62a_100000189650_100011216630 [0,1,0,0,0,0|3,0,0]=4 6282 B12R0.277 CCCC(C)CSCCNC(=O)C 62a_100011216630_100000189650 [0,1,0,0,0,0|3,0,0]=4 6283 B12R0.277 CCCC(C)CSCCNC(=O)N 62a_100011216630_200000034859 [0,1,0,0,0,0|3,0,0]=4 6284 B12R0.277 CCCC(C)CSCCNC(=O)N 62a_200000034859_100011216630 [0,1,0,0,0,0|3,0,0]=4 6285 B12R0.277 CCCC(C)CSCCOC(=O)C 62a_100009814007_100011216630 [0,1,0,0,0,0|3,0,0]=4 6286 B12R0.277 CCCC(C)CSCCOC(=O)C 62a_100011216630_100009814007 [0,1,0,0,0,0|3,0,0]=4 6287 B12R0.277 CCCC(C)CSCCOC(=O)N 62a_100011216630_200011214921 [0,1,0,0,0,0|3,0,0]=4 6288 B12R0.277 CCCC(C)CSCCOC(=O)N 62a_200011214921_100011216630 [0,1,0,0,0,0|3,0,0]=4 6289 B12R0.277 CCCC(C)NCCCCB(O)O 2230a_100000741246_200009817182 [0,1,0,0,0,0|2,0,1]=4 6290 B12R0.277 CCCC(C)NCCCCC(=O)N 270004a_100000696515_100000211909 [0,1,0,0,0,0|2,0,0]=3 6291 B12R0.277 CCCC(C)NCCCCC(=O)N 34a_100000696515_100000766640 [0,1,0,0,0,0|2,0,0]=3 6292 B12R0.277 CCCC(C)NCCCNC(=O)C 270004a_100000736810_100000211909 [0,1,0,0,0,0|3,0,0]=4 6293 B12R0.277 CCCC(C)NCCCNC(=O)C 34a_100000736810_100000766640 [0,1,0,0,0,0|3,0,0]=4 6294 B12R0.277 CCCC(C)NCCCSC(=O)C 2230a_100000741246_100000038929 [0,1,0,0,0,0|3,0,0]=4 6295 B12R0.277 CCCC(C)NCCOCC(=O)N 2230a_100000741246_100000076697 [0,1,0,0,0,0|3,0,0]=4 6296 B12R0.277 CCCC(C)NCCOCC(=O)O 269956a_100000700818_100000766640 [0,1,0,0,0,0|2,0,0]=3 6297 B12R0.277 CCCC(C)OCCCCB(O)O 34a_100000764384_200009817182 [0,1,0,0,0,0|2,0,1]=4 6298 B12R0.277 CCCC(C)OCCCCB(O)O 7a_100000764384_200009817182 [0,1,0,0,0,0|2,0,1]=4 6299 B12R0.277 CCCC(C)OCCCCC(=O)C 34a_100000764384_100009817362 [0,1,0,0,0,0|2,0,0]=3 6300 B12R0.277 CCCC(C)OCCCCC(=O)C 7a_100000764384_100000735457 [0,1,0,0,0,0|2,0,0]=3 6301 B12R0.277 CCCC(C)OCCCCC(=O)N 34a_100012022536_100000766640 [0,1,0,0,0,0|2,0,0]=3 6302 B12R0.277 CCCC(C)OCCCCC(=O)N 7a_100012022536_100000766640 [0,1,0,0,0,0|2,0,0]=3 6303 B12R0.277 CCCC(C)OCCCC[N+](=O)[O-] 34a_200015379883_100000766640 [0,1,0,0,0,0|2,0,1]=4 6304 B12R0.277 CCCC(C)OCCCC[N+](=O)[O-] 7a_200015379883_100000766640 [0,1,0,0,0,0|2,0,1]=4 6305 B12R0.277 CCCC(C)OCCCNC(=O)C 34a_100000752032_100000766640 [0,1,0,0,0,0|3,0,0]=4 6306 B12R0.277 CCCC(C)OCCCOC(=O)C 34a_100000764384_100000042594 [0,1,0,0,0,0|3,0,0]=4 6307 B12R0.277 CCCC(C)OCCCOC(=O)C 7a_100000764384_100000042594 [0,1,0,0,0,0|3,0,0]=4 6308 B12R0.277 CCCC(C)OCCCSC(=O)C 34a_100000764384_100000038929 [0,1,0,0,0,0|3,0,0]=4 6309 B12R0.277 CCCC(C)OCCCSC(=O)C 7a_100000764384_100000038929 [0,1,0,0,0,0|3,0,0]=4 6310 B12R0.277 CCCC(C)OCCOCC(=O)N 34a_100000764384_100000076697 [0,1,0,0,0,0|3,0,0]=4 6311 B12R0.277 CCCC(C)OCCOCC(=O)N 7a_100000764384_100000076697 [0,1,0,0,0,0|3,0,0]=4 6312 B12R0.277 CCCC(C)SCCCCB(O)O 62a_100000766640_200009817182 [0,1,0,0,0,0|2,0,1]=4 6313 B12R0.277 CCCC(C)SCCCCB(O)O 62a_200009817182_100000766640 [0,1,0,0,0,0|2,0,1]=4 6314 B12R0.277 CCCC(C)SCCCCC(=O)C 62a_100000735457_100000766640 [0,1,0,0,0,0|2,0,0]=3 6315 B12R0.277 CCCC(C)SCCCCC(=O)C 62a_100000766640_100000735457 [0,1,0,0,0,0|2,0,0]=3 6316 B12R0.277 CCCC(C)SCCCOC(=O)C 62a_100000042594_100000766640 [0,1,0,0,0,0|3,0,0]=4 6317 B12R0.277 CCCC(C)SCCCOC(=O)C 62a_100000766640_100000042594 [0,1,0,0,0,0|3,0,0]=4 6318 B12R0.277 CCCC(C)SCCCSC(=O)C 62a_100000038929_100000766640 [0,1,0,0,0,0|3,0,0]=4 6319 B12R0.277 CCCC(C)SCCCSC(=O)C 62a_100000766640_100000038929 [0,1,0,0,0,0|3,0,0]=4 6320 B12R0.277 CCCC(C)SCCOCC(=O)N 62a_100000076697_100000766640 [0,1,0,0,0,0|3,0,0]=4 6321 B12R0.277 CCCC(C)SCCOCC(=O)N 62a_100000766640_100000076697 [0,1,0,0,0,0|3,0,0]=4 6322 B12R0.277 CCCN(C)CCCCCB(O)O 2230a_100000747261_200009817188 [0,1,0,0,0,0|2,0,1]=4 6323 B12R0.277 CCCN(C)CCCCCB(O)O 269982a_100000747261_200009817188 [0,1,0,0,0,0|2,0,1]=4 6324 B12R0.277 CCCN(C)CCCCCC(=O)N 2230a_100000747261_100009817443 [0,1,0,0,0,0|2,0,0]=3 6325 B12R0.277 CCCN(C)CCCCCC(=O)N 269982a_100000747261_100009817443 [0,1,0,0,0,0|2,0,0]=3 6326 B12R0.277 CCCN(C)CCCCOC(=O)C 269982a_100000747261_100000033659 [0,1,0,0,0,0|3,0,0]=4 6327 B12R0.277 CCCN(C)CCCCSC(=O)C 2230a_100000747261_200010402107 [0,1,0,0,0,0|3,0,0]=4 6328 B12R0.277 CCCN(C)CCCCSC(=O)C 269982a_100000747261_200010402107 [0,1,0,0,0,0|3,0,0]=4 6329 B12R0.277 CCC[C@H](N)CCOCCC(=O)N 34a_100015193777_100000731001 [0,1,0,0,0,0|2,0,0]=3 6330 B12R0.277 CCC[C@H](N)CCOCCC(C)O 34a_100015193777_100012276601 [0,1,0,0,0,0|2,0,1]=4 6331 B12R0.277 CCC[C@H](N)CCOCOC(=O)C 34a_100015193777_100009813279 [0,1,0,0,0,0|3,0,0]=4 6332 B12R0.277 CCC[C@H](N)COCCCC(=O)C 34a_100000732646_100000685027 [0,1,0,0,0,0|2,0,0]=3 6333 B12R0.277 CCC[C@H](N)COCCCC(=O)N 34a_100000732646_100102525003 [0,1,0,0,0,0|2,0,0]=3 6334 B12R0.277 CCC[C@H](N)COCCCC(C)O 34a_100000732646_200000718107 [0,1,0,0,0,0|2,0,1]=4 6335 B12R0.277 CCC[C@H](N)COCCOC(=O)C 34a_100000732646_100009814007 [0,1,0,0,0,0|3,0,0]=4 6336 B12R0.277 CCC[C@H](N)COCCOC(=O)N 34a_100000732646_200011214921 [0,1,0,0,0,0|3,0,0]=4 6337 B12R0.277 CCOC(=O)CCCCCC(=O)C 1458a_100000037472_200000210301 [0,1,0,0,0,0|2,0,1]=4 6338 B12R0.277 CCOC(=O)CCCCCC(=O)C 1458a_100000070787_100000755133 [0,1,0,0,0,0|2,0,1]=4 6339 B12R0.277 CCOC(=O)CCCCCC(=O)[13CH3] 1458a_100000037472_200025704644 [0,1,0,0,0,0|2,0,1]=4 6340 B12R0.277 CCOC(=O)CCCNCC(=O)O 269956a_100016091260_100009991533 [0,1,0,0,0,0|2,0,1]=4 6341 B12R0.277 CN(CCO)CCCCCC(=O)N 2230a_100000210263_100009817443 [0,1,0,0,0,0|3,0,0]=4 6342 B12R0.277 CN(CCO)CCCCCC(=O)N 269982a_100000210263_100009817443 [0,1,0,0,0,0|3,0,0]=4 6343 B12R0.277 COCC(=O)CCCCCC(=O)N 1458a_100000210968_100009817443 [0,1,0,0,0,0|2,0,1]=4 6344 B12R0.277 COCC(C)NCCCCC(=O)N 270004a_100000696515_100000749346 [0,1,0,0,0,0|3,0,0]=4 6345 B12R0.277 COCC(C)NCCCCC(=O)N 34a_100000696515_100000765312 [0,1,0,0,0,0|3,0,0]=4 6346 B12R0.277 COCC(C)NCCOCC(=O)O 269956a_100000700818_100000765312 [0,1,0,0,0,0|3,0,0]=4 6347 B12R0.277 COCC(C)OCCCCC(=O)N 34a_100012022536_100000765312 [0,1,0,0,0,0|3,0,0]=4 6348 B12R0.277 COCC(C)OCCCCC(=O)N 7a_100012022536_100000765312 [0,1,0,0,0,0|3,0,0]=4 6349 B12R0.277 COCC(C)SCCCCC(=O)C 62a_100000735457_100000765312 [0,1,0,0,0,0|3,0,0]=4 6350 B12R0.277 COCC(C)SCCCCC(=O)C 62a_100000765312_100000735457 [0,1,0,0,0,0|3,0,0]=4 6351 B12R0.277 COCC(N)COCCCC(=O)C 34a_100000724102_100000685027 [0,1,0,0,0,0|3,0,0]=4 6352 B12R0.277 COCC(N)COCCCC(=O)N 34a_100000724102_100102525003 [0,1,0,0,0,0|3,0,0]=4 6353 B12R0.277 COCC(O)CNCCCC(=O)C 34a_100000756049_100000685027 [0,1,0,0,0,0|3,0,0]=4 6354 B12R0.277 COCC(O)CNCCCC(=O)N 34a_100000739312_100011215053 [0,1,0,0,0,0|3,0,0]=4 6355 B12R0.277 COCC(O)CNCCCC(=O)N 34a_100000756049_100102525003 [0,1,0,0,0,0|3,0,0]=4 6356 B12R0.277 COCC(O)COCCCC(=O)C 34a_100000759063_100011215053 [0,1,0,0,0,0|3,0,0]=4 6357 B12R0.277 COCC(O)COCCCC(=O)C 7a_100000759063_100011215053 [0,1,0,0,0,0|3,0,0]=4 6358 B12R0.277 COCC(O)CSCCCC(=O)C 62a_100011215053_100011215641 [0,1,0,0,0,0|3,0,0]=4 6359 B12R0.277 COCC(O)CSCCCC(=O)C 62a_100011215641_100011215053 [0,1,0,0,0,0|3,0,0]=4 6360 B12R0.277 COCC(O)CSCCCC(=O)N 62a_100011215053_100102525003 [0,1,0,0,0,0|3,0,0]=4 6361 B12R0.277 COCC(O)CSCCCC(=O)N 62a_100102525003_100011215053 [0,1,0,0,0,0|3,0,0]=4 6362 B12R0.277 COC[C@@H](C)OCCCCC(=O)C 34a_100011934205_100009817362 [0,1,0,0,0,0|3,0,0]=4 6363 B12R0.277 CSCC(=O)CCCCCC(=O)N 1458a_100000184570_100009817443 [0,1,0,0,0,0|2,0,1]=4 6364 B12R0.277 CSCC(C)NCCCCC(=O)N 270004a_100000696515_100011216314 [0,1,0,0,0,0|3,0,0]=4 6365 B12R0.277 NC(=O)CCCCCC(=O)CCO 1458a_100011216618_100009817443 [0,1,0,0,0,0|2,0,1]=4 6366 B12R1.7 CCCCCCN1CCC(C1)O 2230a_100011215560_100000210314 [0,0,0,1,0,0|2,0,1]=4 6367 B12R1.7 CCCCCCN1CCC(C1)O 269982a_100011215560_100000210757 [0,0,0,1,0,0|2,0,1]=4 6368 B12R1.7 CCCCCCN1CNC(=O)C1 2230a_200000708111_100000210314 [0,0,0,1,0,0|3,0,0]=4 6369 B12R1.7 CCCCCNC1CCC(C1)O 270004a_100000209983_100012614533 [0,0,0,1,0,0|2,0,1]=4 6370 B12R1.7 CCCCCNC1CNC(=O)C1 2230a_100000697751_100000210326 [0,0,0,1,0,0|3,0,0]=4 6371 B12R1.7 CCCCCN[C@H]1CC[C@H](C1)O 2230a_100015195300_100000210326 [0,0,0,1,0,0|2,0,1]=4 6372 B12R1.7 CCCCCOC1CCC(=O)C1 34a_100012614533_100000718602 [0,0,0,1,0,0|2,0,0]=3 6373 B12R1.7 CCCCCOC1CNC(=O)C1 34a_100000690082_100000718602 [0,0,0,1,0,0|3,0,0]=4 6374 B12R1.7 CCCCCOC1COC(=O)O1 34a_100000210253_100000032252 [0,0,0,1,0,0|2,0,0]=3 6375 B12R1.7 CCCCCSC1COC(=O)O1 62a_100000210326_100000032252 [0,0,0,1,0,0|2,0,0]=3 6376 B12R1.7 CCCCNCC1CNC(=O)C1 2230a_100016993742_100000210211 [0,0,0,1,0,0|3,0,0]=4 6377 B12R1.7 CCCCNCC1CNC(=O)C1 34a_100016993742_100000210210 [0,0,0,1,0,0|3,0,0]=4 6378 B12R1.7 CCCCNCC1CNC(=O)O1 2230a_100000102301_100000181169 [0,0,0,1,0,0|2,0,0]=3 6379 B12R1.7 CCCCNCC1CNC(=O)O1 7a_106832991798_100000181169 [0,0,0,1,0,0|2,0,0]=3 6380 B12R1.7 CCCCNC[C@@H]1CCC(=O)N1 2230a_100000102301_100015189358 [0,0,0,1,0,0|2,0,0]=3 6381 B12R1.7 CCCCNC[C@@H]1CCC(=O)N1 7a_106832991798_100015189358 [0,0,0,1,0,0|2,0,0]=3 6382 B12R1.7 CCCCNC[C@H]1CCC(=O)N1 2230a_100015423886_100000210211 [0,0,0,1,0,0|2,0,0]=3 6383 B12R1.7 CCCCNC[C@H]1CCC(=O)N1 34a_100015423886_100000210210 [0,0,0,1,0,0|2,0,0]=3 6384 B12R1.7 CCCCNC[C@H]1COC(=O)N1 2230a_100000102301_100015307671 [0,0,0,1,0,0|3,0,0]=4 6385 B12R1.7 CCCCNC[C@H]1COC(=O)N1 7a_106832991798_100015307671 [0,0,0,1,0,0|3,0,0]=4 6386 B12R1.7 CCCCOCC1CCC(=O)N1 34a_100000737831_100000210210 [0,0,0,1,0,0|2,0,0]=3 6387 B12R1.7 CCCCOCC1CNC(=O)C1 34a_100016041077_100000210210 [0,0,0,1,0,0|3,0,0]=4 6388 B12R1.7 CCCCOCC1CNC(=O)O1 34a_100000210227_100000181169 [0,0,0,1,0,0|2,0,0]=3 6389 B12R1.7 CCCCOCC1CNC(=O)O1 34a_100011315639_100000210210 [0,0,0,1,0,0|2,0,0]=3 6390 B12R1.7 CCCCOCC1CNC(=O)O1 7a_100000210227_100000181169 [0,0,0,1,0,0|2,0,0]=3 6391 B12R1.7 CCCCOCC1COC(=O)O1 34a_100000210227_100000073702 [0,0,0,1,0,0|2,0,0]=3 6392 B12R1.7 CCCCOC[C@@H]1CCC(=O)N1 7a_100000210227_100015189358 [0,0,0,1,0,0|2,0,0]=3 6393 B12R1.7 CCCCOC[C@H]1COC(=O)N1 34a_100000210227_100015307671 [0,0,0,1,0,0|3,0,0]=4 6394 B12R1.7 CCCCOC[C@H]1COC(=O)N1 7a_100000210227_100015307671 [0,0,0,1,0,0|3,0,0]=4 6395 B12R1.7 CCCCSCC1CNC(=O)O1 62a_100000181169_100000210210 [0,0,0,1,0,0|2,0,0]=3 6396 B12R1.7 CCCCSCC1CNC(=O)O1 62a_100000210211_100000181169 [0,0,0,1,0,0|2,0,0]=3 6397 B12R1.7 CCCCSCC1COC(=O)O1 62a_100000073702_100000210210 [0,0,0,1,0,0|2,0,0]=3 6398 B12R1.7 CCCCSCC1COC(=O)O1 62a_100000210211_100000073702 [0,0,0,1,0,0|2,0,0]=3 6399 B12R1.7 CCCCSC[C@@H]1CCC(=O)N1 62a_100000210211_100015189358 [0,0,0,1,0,0|2,0,0]=3 6400 B12R1.7 CCCCSC[C@@H]1CCC(=O)N1 62a_100015189358_100000210210 [0,0,0,1,0,0|2,0,0]=3 6401 B12R1.7 CCCCSC[C@H]1COC(=O)N1 62a_100000210211_100015307671 [0,0,0,1,0,0|3,0,0]=4 6402 B12R1.7 CCCCSC[C@H]1COC(=O)N1 62a_100015307671_100000210210 [0,0,0,1,0,0|3,0,0]=4 6403 B12R1.7 CCCSCCC1COS(=O)O1 62a_100000210303_100009840081 [0,0,0,1,0,0|3,0,0]=4 6404 B12R1.7 CCOCCNC1COC(=O)O1 34a_102516460346_100000032252 [0,0,0,1,0,0|3,0,0]=4 6405 B12R1.7 CCOCCOC1CCC(=O)C1 34a_100012614533_100000210147 [0,0,0,1,0,0|3,0,0]=4 6406 B12R1.7 CCOCCOC1COC(=O)O1 34a_100000210136_100000032252 [0,0,0,1,0,0|3,0,0]=4 6407 B12R1.7 CCOCCSC1COC(=O)O1 62a_100000210147_100000032252 [0,0,0,1,0,0|3,0,0]=4 6408 B12R1.7 CCOCSCC1CNC(=O)O1 62a_100000181169_100000739092 [0,0,0,1,0,0|3,0,0]=4 6409 B12R1.7 CCOCSCC1CNC(=O)O1 62a_100000739092_100000181169 [0,0,0,1,0,0|3,0,0]=4 6410 B12R1.7 CCOCSCC1COC(=O)O1 62a_100000073702_100000739092 [0,0,0,1,0,0|3,0,0]=4 6411 B12R1.7 CCOCSCC1COC(=O)O1 62a_100000739092_100000073702 [0,0,0,1,0,0|3,0,0]=4 6412 B12R1.7 CCOCSC[C@@H]1CCC(=O)N1 62a_100000739092_100015189358 [0,0,0,1,0,0|3,0,0]=4 6413 B12R1.7 CCOCSC[C@@H]1CCC(=O)N1 62a_100015189358_100000739092 [0,0,0,1,0,0|3,0,0]=4 6414 B12R1.7 CCSCCOC1CCC(=O)C1 34a_100012614533_100000757381 [0,0,0,1,0,0|3,0,0]=4 6415 B12R1.7 CCSCCOC1COC(=O)O1 34a_100000212035_100000032252 [0,0,0,1,0,0|3,0,0]=4 6416 B12R1.7 CCSCCSC1COC(=O)O1 62a_100000757381_100000032252 [0,0,0,1,0,0|3,0,0]=4 6417 B12R1.7 CNCCCOC1COC(=O)O1 34a_100000213112_100000032252 [0,0,0,1,0,0|3,0,0]=4 6418 B12R1.7 COCCCNC1COC(=O)O1 34a_100150723488_100000032252 [0,0,0,1,0,0|3,0,0]=4 6419 B12R1.7 COCCCOC1CCC(=O)C1 34a_100012614533_100000740836 [0,0,0,1,0,0|3,0,0]=4 6420 B12R1.7 COCCCOC1COC(=O)O1 34a_100000740835_100000032252 [0,0,0,1,0,0|3,0,0]=4 6421 B12R1.7 COCCCSC1COC(=O)O1 62a_100000709357_100000032252 [0,0,0,1,0,0|3,0,0]=4 6422 B12R1.7 COCCNCC1CNC(=O)O1 2230a_100000209980_100000181169 [0,0,0,1,0,0|3,0,0]=4 6423 B12R1.7 COCCNC[C@@H]1CCC(=O)N1 2230a_100000209980_100015189358 [0,0,0,1,0,0|3,0,0]=4 6424 B12R1.7 COCCNC[C@H]1CCC(=O)N1 2230a_100015423886_100011201679 [0,0,0,1,0,0|3,0,0]=4 6425 B12R1.7 COCCNC[C@H]1CCC(=O)N1 34a_100015423886_100011201679 [0,0,0,1,0,0|3,0,0]=4 6426 B12R1.7 COCCOCC1CCC(=O)N1 34a_100000737831_100011201679 [0,0,0,1,0,0|3,0,0]=4 6427 B12R1.7 COCCOCC1CNC(=O)O1 34a_100000210237_100000181169 [0,0,0,1,0,0|3,0,0]=4 6428 B12R1.7 COCCOCC1CNC(=O)O1 34a_100011315639_100011201679 [0,0,0,1,0,0|3,0,0]=4 6429 B12R1.7 COCCOCC1COC(=O)O1 34a_100000210237_100000073702 [0,0,0,1,0,0|3,0,0]=4 6430 B12R1.7 COCCSCC1CNC(=O)O1 62a_100000181169_100000233755 [0,0,0,1,0,0|3,0,0]=4 6431 B12R1.7 COCCSCC1CNC(=O)O1 62a_100000233755_100000181169 [0,0,0,1,0,0|3,0,0]=4 6432 B12R1.7 COCCSCC1COC(=O)O1 62a_100000073702_100000233755 [0,0,0,1,0,0|3,0,0]=4 6433 B12R1.7 COCCSCC1COC(=O)O1 62a_100000233755_100000073702 [0,0,0,1,0,0|3,0,0]=4 6434 B12R1.7 COCCSC[C@@H]1CCC(=O)N1 62a_100000233755_100015189358 [0,0,0,1,0,0|3,0,0]=4 6435 B12R1.7 COCCSC[C@@H]1CCC(=O)N1 62a_100015189358_100000233755 [0,0,0,1,0,0|3,0,0]=4 6436 B12R1.7 CSCCCOC1COC(=O)O1 34a_100000690336_100000032252 [0,0,0,1,0,0|3,0,0]=4 6437 B12R1.7 CSCCNCC1CNC(=O)O1 2230a_100020590264_100000181169 [0,0,0,1,0,0|3,0,0]=4 6438 B12R1.7 CSCCNC[C@@H]1CCC(=O)N1 2230a_100020590264_100015189358 [0,0,0,1,0,0|3,0,0]=4 6439 B12R1.7 CSCCNC[C@H]1CCC(=O)N1 2230a_100015423886_100000751147 [0,0,0,1,0,0|3,0,0]=4 6440 B12R1.7 CSCCNC[C@H]1CCC(=O)N1 34a_100015423886_100000212216 [0,0,0,1,0,0|3,0,0]=4 6441 B12R1.7 CSCCOCC1CCC(=O)N1 34a_100000737831_100000212216 [0,0,0,1,0,0|3,0,0]=4 6442 B12R1.7 CSCCOCC1CNC(=O)O1 34a_100000230434_100000181169 [0,0,0,1,0,0|3,0,0]=4 6443 B12R1.7 CSCCOCC1CNC(=O)O1 34a_100011315639_100000212216 [0,0,0,1,0,0|3,0,0]=4 6444 B12R1.7 CSCCOCC1CNC(=O)O1 7a_100000230434_100000181169 [0,0,0,1,0,0|3,0,0]=4 6445 B12R1.7 CSCCOCC1COC(=O)O1 34a_100000230434_100000073702 [0,0,0,1,0,0|3,0,0]=4 6446 B12R1.7 CSCCOC[C@@H]1CCC(=O)N1 7a_100000230434_100015189358 [0,0,0,1,0,0|3,0,0]=4 6447 B12R1.7 CSCCSCC1CNC(=O)O1 62a_100000181169_100000751147 [0,0,0,1,0,0|3,0,0]=4 6448 B12R1.7 CSCCSCC1CNC(=O)O1 62a_100000212216_100000181169 [0,0,0,1,0,0|3,0,0]=4 6449 B12R1.7 CSCCSCC1COC(=O)O1 62a_100000073702_100000751147 [0,0,0,1,0,0|3,0,0]=4 6450 B12R1.7 CSCCSCC1COC(=O)O1 62a_100000212216_100000073702 [0,0,0,1,0,0|3,0,0]=4 6451 B12R1.7 CSCCSC[C@@H]1CCC(=O)N1 62a_100000212216_100015189358 [0,0,0,1,0,0|3,0,0]=4 6452 B12R1.7 CSCCSC[C@@H]1CCC(=O)N1 62a_100015189358_100000751147 [0,0,0,1,0,0|3,0,0]=4 6453 B12R1.7 NCCCCOC1COC(=O)O1 34a_100000750430_100000032252 [0,0,0,1,0,0|3,0,0]=4 6454 B12R1.7 NCCCOCC1CNC(=O)O1 34a_100000182051_100000181169 [0,0,0,1,0,0|3,0,0]=4 6455 B12R1.7 NCCCOCC1COC(=O)O1 34a_100000182051_100000073702 [0,0,0,1,0,0|3,0,0]=4 6456 B12R1.7 O=C1CCC(C1)OCCCCF 34a_100012614533_100000729493 [0,0,0,1,0,0|3,0,0]=4 6457 B12R1.7 O=C1CCC(C1)OCCCCO 34a_100012614533_100011216708 [0,0,0,1,0,0|3,0,0]=4 6458 B12R1.7 O=C1CCC(N1)COCCCF 34a_100000737831_100011934791 [0,0,0,1,0,0|3,0,0]=4 6459 B12R1.7 O=C1CCC(N1)COCCCO 34a_100000737831_100000230001 [0,0,0,1,0,0|3,0,0]=4 6460 B12R1.7 O=C1CC[C@@H](N1)CNCCCF 2230a_100015423886_100011934791 [0,0,0,1,0,0|3,0,0]=4 6461 B12R1.7 O=C1CC[C@@H](N1)CNCCCF 34a_100015423886_100011934791 [0,0,0,1,0,0|3,0,0]=4 6462 B12R1.7 O=C1CC[C@@H](N1)CNCCCO 2230a_100015423886_100000230001 [0,0,0,1,0,0|3,0,0]=4 6463 B12R1.7 O=C1CC[C@@H](N1)CNCCCO 34a_100015423886_100000230001 [0,0,0,1,0,0|3,0,0]=4 6464 B12R1.7 O=C1CC[C@H](N1)CNCCCF 2230a_100015189416_100015189358 [0,0,0,1,0,0|3,0,0]=4 6465 B12R1.7 O=C1CC[C@H](N1)CSCCCF 62a_100011934791_100015189358 [0,0,0,1,0,0|3,0,0]=4 6466 B12R1.7 O=C1CC[C@H](N1)CSCCCF 62a_100015189358_100011934791 [0,0,0,1,0,0|3,0,0]=4 6467 B12R1.7 O=C1CC[C@H](N1)CSCCCO 62a_100011215043_100015189358 [0,0,0,1,0,0|3,0,0]=4 6468 B12R1.7 O=C1CC[C@H](N1)CSCCCO 62a_100015189358_100011215043 [0,0,0,1,0,0|3,0,0]=4 6469 B12R1.7 O=C1NCC(O1)CNCCCF 2230a_100015189416_100000181169 [0,0,0,1,0,0|3,0,0]=4 6470 B12R1.7 O=C1NCC(O1)CNCCCF 34a_100015189416_100000181169 [0,0,0,1,0,0|3,0,0]=4 6471 B12R1.7 O=C1NCC(O1)COCCCBr 34a_100011217188_100000181169 [0,0,0,1,0,0|3,0,0]=4 6472 B12R1.7 O=C1NCC(O1)COCCCCl 34a_100000230001_100000181169 [0,0,0,1,0,0|3,0,0]=4 6473 B12R1.7 O=C1NCC(O1)COCCCF 34a_100000759539_100000181169 [0,0,0,1,0,0|3,0,0]=4 6474 B12R1.7 O=C1NCC(O1)COCCCF 34a_100011315639_100011934791 [0,0,0,1,0,0|3,0,0]=4 6475 B12R1.7 O=C1NCC(O1)COCCCO 34a_100011315639_100000230001 [0,0,0,1,0,0|3,0,0]=4 6476 B12R1.7 O=C1NCC(O1)CSCCCF 62a_100000181169_100011934791 [0,0,0,1,0,0|3,0,0]=4 6477 B12R1.7 O=C1NCC(O1)CSCCCF 62a_100011934791_100000181169 [0,0,0,1,0,0|3,0,0]=4 6478 B12R1.7 O=C1NCC(O1)CSCCCO 62a_100000181169_100011215043 [0,0,0,1,0,0|3,0,0]=4 6479 B12R1.7 O=C1NCC(O1)CSCCCO 62a_100011215043_100000181169 [0,0,0,1,0,0|3,0,0]=4 6480 B12R1.7 O=C1OCC(O1)CNCCCF 34a_100015189416_100000073702 [0,0,0,1,0,0|3,0,0]=4 6481 B12R1.7 O=C1OCC(O1)COCCCBr 34a_100011217188_100000073702 [0,0,0,1,0,0|3,0,0]=4 6482 B12R1.7 O=C1OCC(O1)COCCCCl 34a_100000230001_100000073702 [0,0,0,1,0,0|3,0,0]=4 6483 B12R1.7 O=C1OCC(O1)COCCCF 34a_100000759539_100000073702 [0,0,0,1,0,0|3,0,0]=4 6484 B12R1.7 O=C1OCC(O1)CSCCCF 62a_100000073702_100011934791 [0,0,0,1,0,0|3,0,0]=4 6485 B12R1.7 O=C1OCC(O1)CSCCCF 62a_100011934791_100000073702 [0,0,0,1,0,0|3,0,0]=4 6486 B12R1.7 O=C1OCC(O1)CSCCCO 62a_100000073702_100011215043 [0,0,0,1,0,0|3,0,0]=4 6487 B12R1.7 O=C1OCC(O1)CSCCCO 62a_100011215043_100000073702 [0,0,0,1,0,0|3,0,0]=4 6488 B12R1.7 O=C1OCC(O1)NCCCCO 34a_100000750430_100000032252 [0,0,0,1,0,0|3,0,0]=4 6489 B12R1.7 O=C1OCC(O1)OCCCCBr 34a_100011216708_100000032252 [0,0,0,1,0,0|3,0,0]=4 6490 B12R1.7 O=C1OCC(O1)OCCCCCl 34a_100000210776_100000032252 [0,0,0,1,0,0|3,0,0]=4 6491 B12R1.7 O=C1OCC(O1)OCCCCF 34a_100011995726_100000032252 [0,0,0,1,0,0|3,0,0]=4 6492 B12R1.7 O=C1OCC(O1)OCCCCI 34a_200012148704_100000032252 [0,0,0,1,0,0|3,0,0]=4 6493 B12R1.7 O=C1OCC(O1)SCCCCF 62a_100000729493_100000032252 [0,0,0,1,0,0|3,0,0]=4 6494 B12R1.7 O=C1OCC(O1)SCCCCO 62a_100000210776_100000032252 [0,0,0,1,0,0|3,0,0]=4 6495 B12R1.28 CCCCCN1CCCC(C1)O 2230a_100000211013_100000210326 [0,0,0,1,0,0|2,0,1]=4 6496 B12R1.28 CCCCCN1CCCC(C1)O 269982a_100000211013_100000210215 [0,0,0,1,0,0|2,0,1]=4 6497 B12R1.28 CCCCCN1CCNC(=O)C1 2230a_100000184651_100000210326 [0,0,0,1,0,0|3,0,0]=4 6498 B12R1.28 CCCCCN1CCOC(=O)C1 2230a_100000131268_100000210326 [0,0,0,1,0,0|3,0,0]=4 6499 B12R1.28 CCCCNC1CCCC(C1)O 2230a_100015190357_100000210211 [0,0,0,1,0,0|2,0,1]=4 6500 B12R1.28 CCCCNC1CCCC(C1)O 270004a_100000102301_100012613340 [0,0,0,1,0,0|2,0,1]=4 6501 B12R1.28 CCCCNC1CCNC(=O)C1 2230a_100016994916_100000210211 [0,0,0,1,0,0|3,0,0]=4 6502 B12R1.28 CCCCNC1CCNC(=O)C1 34a_100016994916_100000210210 [0,0,0,1,0,0|3,0,0]=4 6503 B12R1.28 CCCCOC1C=C(CCC1)C 34a_100011218613_100000210210 [0,0,0,1,0,0|3,0,0]=4 6504 B12R1.28 CCCCOC1CCCC(=O)C1 34a_100012613340_100000210210 [0,0,0,1,0,0|2,0,0]=3 6505 B12R1.28 CCCCO[C@@H]1CCNC(=O)C1 34a_100015189427_100000210210 [0,0,0,1,0,0|3,0,0]=4 6506 B12R1.28 CCCNCC1CCCC(C1)O 2230a_100011254705_100000210303 [0,0,0,1,0,0|2,0,1]=4 6507 B12R1.28 CCCOCC1CCCC(=O)N1 34a_200000102386_100000210303 [0,0,0,1,0,0|2,0,0]=3 6508 B12R1.28 CCCOCC1CCNC(=O)C1 34a_100009886756_100000210303 [0,0,0,1,0,0|3,0,0]=4 6509 B12R1.28 CCCOCC1COCC(=O)N1 34a_200000101122_100000210303 [0,0,0,1,0,0|3,0,0]=4 6510 B12R1.28 COCCOC1CCCC(=O)C1 34a_100012613340_100011201679 [0,0,0,1,0,0|3,0,0]=4 6511 B12R1.28 CSCCOC1CCCC(=O)C1 34a_100012613340_100000212216 [0,0,0,1,0,0|3,0,0]=4 6512 B12R1.28 CSCOCC1CCCC(=O)N1 34a_200000102386_100011218213 [0,0,0,1,0,0|3,0,0]=4 6513 B12R1.28 O=C1CCCC(C1)OCCCF 34a_100012613340_100011934791 [0,0,0,1,0,0|3,0,0]=4 6514 B12R1.28 O=C1CCCC(C1)OCCCO 34a_100012613340_100000230001 [0,0,0,1,0,0|3,0,0]=4 6515 B12R1.28 O=C1CCCC(N1)COCCF 34a_200000102386_100011217306 [0,0,0,1,0,0|3,0,0]=4 6516 B12R1.28 O=C1CCCC(N1)COCCO 34a_200000102386_100000211926 [0,0,0,1,0,0|3,0,0]=4 6517 B12R1.62 C=C1CC(C1)CNCCCCC 2230a_100102567296_100000210326 [0,0,0,1,0,0|3,0,0]=4 6518 B12R1.62 C=C1CC(C1)CNCCCCC 34a_100102567296_100000718602 [0,0,0,1,0,0|3,0,0]=4 6519 B12R1.62 C=C1CC(C1)COCCCCC 34a_100011011225_100000718602 [0,0,0,1,0,0|3,0,0]=4 6520 B12R1.62 C=C1CC(C1)NCCCCCC 2230a_100132301982_100000210314 [0,0,0,1,0,0|3,0,0]=4 6521 B12R1.62 CCCCCCCN1CC(C1)O 269982a_100000749847_100000210681 [0,0,0,1,0,0|2,0,1]=4 6522 B12R1.62 CCCCCCN[C@H]1C[C@@H](C1)O 2230a_100020629032_100000210314 [0,0,0,1,0,0|2,0,1]=4 6523 B12R1.62 CCCCCCSC1CC(=O)C1 62a_100009894365_100000210757 [0,0,0,1,0,0|2,0,0]=3 6524 B12R1.62 CCCCCNCC1CC(=O)C1 2230a_100000209983_100009874392 [0,0,0,1,0,0|2,0,0]=3 6525 B12R1.62 CCCCCNCC1CC(C1)O 2230a_100016992100_100000210326 [0,0,0,1,0,0|2,0,1]=4 6526 B12R1.62 CCCCCOCC1CC(=O)C1 34a_100000101936_100000718602 [0,0,0,1,0,0|2,0,0]=3 6527 B12R1.62 CCCCCOCC1CC(=O)C1 7a_100000210253_100009874392 [0,0,0,1,0,0|2,0,0]=3 6528 B12R1.62 CCCCCSCC1CC(=O)C1 62a_100000210326_100009874392 [0,0,0,1,0,0|2,0,0]=3 6529 B12R1.62 CCCCCSCC1CC(=O)C1 62a_100009874392_100000210326 [0,0,0,1,0,0|2,0,0]=3 6530 B12R1.62 CCCCOCSC1CC(=O)C1 62a_100009894365_100011995733 [0,0,0,1,0,0|3,0,0]=4 6531 B12R1.62 CCCOCCSC1CC(=O)C1 62a_100009894365_100011215938 [0,0,0,1,0,0|3,0,0]=4 6532 B12R1.62 CCOCCCSC1CC(=O)C1 62a_100009894365_100012232248 [0,0,0,1,0,0|3,0,0]=4 6533 B12R1.62 CCOCCNCC1CC(=O)C1 2230a_102516460346_100009874392 [0,0,0,1,0,0|3,0,0]=4 6534 B12R1.62 CCOCCOCC1CC(=O)C1 34a_100000101936_100000210147 [0,0,0,1,0,0|3,0,0]=4 6535 B12R1.62 CCOCCOCC1CC(=O)C1 7a_100000210136_100009874392 [0,0,0,1,0,0|3,0,0]=4 6536 B12R1.62 CCOCCSCC1CC(=O)C1 62a_100000210147_100009874392 [0,0,0,1,0,0|3,0,0]=4 6537 B12R1.62 CCOCCSCC1CC(=O)C1 62a_100009874392_100011215890 [0,0,0,1,0,0|3,0,0]=4 6538 B12R1.62 CCSCCNCC1CC(=O)C1 2230a_100000106463_100009874392 [0,0,0,1,0,0|3,0,0]=4 6539 B12R1.62 CCSCCOCC1CC(=O)C1 34a_100000101936_100000757381 [0,0,0,1,0,0|3,0,0]=4 6540 B12R1.62 CCSCCOCC1CC(=O)C1 7a_100000212035_100009874392 [0,0,0,1,0,0|3,0,0]=4 6541 B12R1.62 CCSCCSCC1CC(=O)C1 62a_100000757381_100009874392 [0,0,0,1,0,0|3,0,0]=4 6542 B12R1.62 CCSCCSCC1CC(=O)C1 62a_100009874392_100000757381 [0,0,0,1,0,0|3,0,0]=4 6543 B12R1.62 COCCCCSC1CC(=O)C1 62a_100009894365_100000730899 [0,0,0,1,0,0|3,0,0]=4 6544 B12R1.62 COCCCOCC1CC(=O)C1 34a_100000101936_100000740836 [0,0,0,1,0,0|3,0,0]=4 6545 B12R1.62 COCCCSCC1CC(=O)C1 62a_100000709357_100009874392 [0,0,0,1,0,0|3,0,0]=4 6546 B12R1.62 COCCCSCC1CC(=O)C1 62a_100009874392_100000709357 [0,0,0,1,0,0|3,0,0]=4 6547 B12R1.62 CSCCCNCC1CC(=O)C1 2230a_100000749238_100009874392 [0,0,0,1,0,0|3,0,0]=4 6548 B12R1.62 CSCCCOCC1CC(=O)C1 7a_100000690336_100009874392 [0,0,0,1,0,0|3,0,0]=4 6549 B12R1.62 O=C1CC(C1)CNCCCCO 2230a_100000750430_100009874392 [0,0,0,1,0,0|3,0,0]=4 6550 B12R1.62 O=C1CC(C1)COCCCCCl 7a_100000210776_100009874392 [0,0,0,1,0,0|3,0,0]=4 6551 B12R1.62 O=C1CC(C1)COCCCCF 34a_100000101936_100000729493 [0,0,0,1,0,0|3,0,0]=4 6552 B12R1.62 O=C1CC(C1)COCCCCF 7a_100011995726_100009874392 [0,0,0,1,0,0|3,0,0]=4 6553 B12R1.62 O=C1CC(C1)COCCCCO 34a_100000101936_100011216708 [0,0,0,1,0,0|3,0,0]=4 6554 B12R1.62 O=C1CC(C1)CSCCCCF 62a_100000729493_100009874392 [0,0,0,1,0,0|3,0,0]=4 6555 B12R1.62 O=C1CC(C1)CSCCCCF 62a_100009874392_100000729493 [0,0,0,1,0,0|3,0,0]=4 6556 B12R1.62 O=C1CC(C1)CSCCCCO 62a_100000210776_100009874392 [0,0,0,1,0,0|3,0,0]=4 6557 B12R1.62 O=C1CC(C1)CSCCCCO 62a_100009874392_100000210776 [0,0,0,1,0,0|3,0,0]=4 6558 B12R1.62 O=C1CC(C1)SCCCCCF 62a_100009894365_100000729378 [0,0,0,1,0,0|3,0,0]=4 6559 B12R1.62 O=C1CC(C1)SCCCCCO 62a_100009894365_100000746330 [0,0,0,1,0,0|3,0,0]=4 6560 B12R1.75 C=C(C)CN1CCCCC1CC 2230a_100000210034_100000748629 [0,0,0,1,0,0|3,0,0]=4 6561 B12R1.75 C=C(C)CN1CCCCC1CC 269982a_100000210034_100000748629 [0,0,0,1,0,0|3,0,0]=4 6562 B12R1.75 C=C(C)CN1CCCCC1CC 34a_100000210034_100000748629 [0,0,0,1,0,0|3,0,0]=4 6563 B12R1.75 C=C(F)CN1CCCCC1CC 2230a_100000210034_100009893438 [0,0,0,1,0,0|3,0,0]=4 6564 B12R1.75 C=C(F)CN1CCCCC1CC 269982a_100000210034_100009893438 [0,0,0,1,0,0|3,0,0]=4 6565 B12R1.75 C=C(F)CN1CCCCC1CC 34a_100000210034_100009893438 [0,0,0,1,0,0|3,0,0]=4 6566 B12R1.75 CCC1CCCCN1CC(=O)N 2230a_100000210034_100000747473 [0,0,0,1,0,0|2,0,0]=3 6567 B12R1.75 CCC1CCCCN1CC(=O)N 269982a_100000210034_100000187820 [0,0,0,1,0,0|2,0,0]=3 6568 B12R1.75 CCC1CCCCN1CC(=O)N 34a_100000210034_100000187820 [0,0,0,1,0,0|2,0,0]=3 6569 B12R1.75 CCC1CCCCN1CC(=O)[O-] 269982a_100000210034_100020667443 [0,0,0,1,0,0|1,0,1]=3 6570 B12R1.75 CCC1CCCCN1CC(=O)[O-] 34a_100000210034_100020667443 [0,0,0,1,0,0|1,0,1]=3 6571 B12R1.75 CCC1CCCCN1CC(C)O 2230a_100000210034_100011218427 [0,0,0,1,0,0|2,0,1]=4 6572 B12R1.75 CCC1CCCCN1CC(C)O 269982a_100000210034_100011218427 [0,0,0,1,0,0|2,0,1]=4 6573 B12R1.75 CCC1CCCCN1CC(C)O 34a_100000210034_100011218427 [0,0,0,1,0,0|2,0,1]=4 6574 B12R1.75 CCC1CCCCN1C[C@@H](C)O 2230a_100000210034_100009817552 [0,0,0,1,0,0|2,0,1]=4 6575 B12R1.75 CCC1CCCCN1C[C@@H](C)O 269982a_100000210034_100009817552 [0,0,0,1,0,0|2,0,1]=4 6576 B12R1.75 CCC1CCCCN1C[C@@H](C)O 34a_100000210034_100009817552 [0,0,0,1,0,0|2,0,1]=4 6577 B12R1.75 CCC1CCCCN1C[N+](=O)[O-] 269982a_100000210034_100000761209 [0,0,0,1,0,0|2,0,1]=4 6578 B12R1.75 CCC1CCCCN1C[N+](=O)[O-] 34a_100000210034_100000761209 [0,0,0,1,0,0|2,0,1]=4 6579 B12R1.75 CCN1CCCCC1CC(=O)N 2230a_100015184752_100000210202 [0,0,0,1,0,0|2,0,0]=3 6580 B12R1.75 CCN1CCCCC1CC(=O)N 269982a_100015184752_100000204670 [0,0,0,1,0,0|2,0,0]=3 6581 B12R1.75 CCN1CCCCC1CC(=O)N 34a_100015184752_100000210202 [0,0,0,1,0,0|2,0,0]=3 6582 B12R1.75 CC[C@H]1COCCN1CC(=O)N 2230a_100016988097_100000747473 [0,0,0,1,0,0|3,0,0]=4 6583 B12R1.75 CC[C@H]1COCCN1CC(=O)N 269982a_100016988097_100000187820 [0,0,0,1,0,0|3,0,0]=4 6584 B12R1.75 CC[C@H]1COCCN1CC(=O)N 34a_100016988097_100000187820 [0,0,0,1,0,0|3,0,0]=4 6585 B12R1.75 CC[C@H]1COCCN1CC(=O)[O-] 269982a_100016988097_100020667443 [0,0,0,1,0,0|2,0,1]=4 6586 B12R1.75 CC[C@H]1COCCN1CC(=O)[O-] 34a_100016988097_100020667443 [0,0,0,1,0,0|2,0,1]=4 6587 B12R1.75 COC1CCCCC1NC(=O)C 11a_100011208099_100015343762 [0,0,0,1,0,0|3,0,0]=4 6588 B12R1.75 COC1CCCCC1NC(=O)C 1626a_100011208099_100015343762 [0,0,0,1,0,0|3,0,0]=4 6589 B12R1.75 COC1CCCCC1NC(=O)C 240690a_100011208099_100015343762 [0,0,0,1,0,0|3,0,0]=4 6590 B12R1.75 COC1CCCCC1NC(=O)C 527a_100011208099_100103153847 [0,0,0,1,0,0|3,0,0]=4 6591 B12R1.75 NC(=O)CC1CCCCN1CF 269982a_100015184752_100015361967 [0,0,0,1,0,0|3,0,0]=4 6592 B12R1.75 NC(=O)CC1CCCCN1CF 34a_100015184752_100015361967 [0,0,0,1,0,0|3,0,0]=4 6593 B12R1.75 NC(=O)CN1CCCCC1CO 2230a_100000210821_100000747473 [0,0,0,1,0,0|3,0,0]=4 6594 B12R1.75 NC(=O)CN1CCCCC1CO 269982a_100000210821_100000187820 [0,0,0,1,0,0|3,0,0]=4 6595 B12R1.75 NC(=O)CN1CCCCC1CO 34a_100000210821_100000187820 [0,0,0,1,0,0|3,0,0]=4 6596 B12R1.75 O=C([O-])CN1CCCCC1CO 269982a_100000210821_100020667443 [0,0,0,1,0,0|2,0,1]=4 6597 B12R1.75 O=C([O-])CN1CCCCC1CO 34a_100000210821_100020667443 [0,0,0,1,0,0|2,0,1]=4 6598 B12R1.81 C=C(C)CCN1CCCC1CC 2230a_100000754278_100000730704 [0,0,0,1,0,0|3,0,0]=4 6599 B12R1.81 C=C(C)CCN1CCCC1CC 269982a_100000754278_100000730704 [0,0,0,1,0,0|3,0,0]=4 6600 B12R1.81 C=C(C)CCN1CCCC1CC 34a_100000754278_100000730704 [0,0,0,1,0,0|3,0,0]=4 6601 B12R1.81 CC(=O)CCN1CCC[C@@H]1CO 269982a_100000745186_100000053229 [0,0,0,1,0,0|3,0,0]=4 6602 B12R1.81 CCC1CCCC1NCC(C)O 269862a_100000210904_100000749056 [0,0,0,1,0,0|2,0,1]=4 6603 B12R1.81 CCC1CCCC1NCC(C)O 270004a_100000210904_100000749056 [0,0,0,1,0,0|2,0,1]=4 6604 B12R1.81 CCC1CCCN1CCC(=O)C 269982a_100000754278_100000053229 [0,0,0,1,0,0|2,0,0]=3 6605 B12R1.81 CCC1CCCN1CCC(=O)N 2230a_100000754278_100000744528 [0,0,0,1,0,0|2,0,0]=3 6606 B12R1.81 CCC1CCCN1CCC(=O)N 269982a_100000754278_100000744528 [0,0,0,1,0,0|2,0,0]=3 6607 B12R1.81 CCC1CCCN1CCC(=O)N 34a_100000754278_100000731001 [0,0,0,1,0,0|2,0,0]=3 6608 B12R1.81 CCC1CCCN1CCC(C)O 2230a_100000754278_100012276601 [0,0,0,1,0,0|2,0,1]=4 6609 B12R1.81 CCC1CCCN1CCC(C)O 269982a_100000754278_100012276601 [0,0,0,1,0,0|2,0,1]=4 6610 B12R1.81 CCC1CCCN1CCC(C)O 34a_100000754278_100012276601 [0,0,0,1,0,0|2,0,1]=4 6611 B12R1.81 CCC1CCCN1COC(=O)C 269982a_100000754278_100000076356 [0,0,0,1,0,0|3,0,0]=4 6612 B12R1.81 CCC1CCCN1COC(=O)C 34a_100000754278_100009813279 [0,0,0,1,0,0|3,0,0]=4 6613 B12R1.81 CCN1CCCC1CNC(=O)C 11a_100000211693_100015343762 [0,0,0,1,0,0|3,0,0]=4 6614 B12R1.81 CCN1CCCC1CNC(=O)C 1626a_100000211693_100015343762 [0,0,0,1,0,0|3,0,0]=4 6615 B12R1.81 CCN1CCCC1CNC(=O)C 240690a_100000211693_100015343762 [0,0,0,1,0,0|3,0,0]=4 6616 B12R1.81 CCN1CCCC1CNC(=O)C 527a_100000211693_100103153847 [0,0,0,1,0,0|3,0,0]=4 6617 B12R1.81 NC(=O)CCN1CCC[C@@H]1CO 2230a_100000745186_100000744528 [0,0,0,1,0,0|3,0,0]=4 6618 B12R1.81 NC(=O)CCN1CCC[C@@H]1CO 269982a_100000745186_100000744528 [0,0,0,1,0,0|3,0,0]=4 6619 B12R1.81 NC(=O)CCN1CCC[C@@H]1CO 34a_100000745186_100000731001 [0,0,0,1,0,0|3,0,0]=4 6620 B12R1.125 C=C(C)CCN1CCCCC1C 2230a_100000211376_100000730704 [0,0,0,1,0,0|3,0,0]=4 6621 B12R1.125 C=C(C)CCN1CCCCC1C 269982a_100000211376_100000730704 [0,0,0,1,0,0|3,0,0]=4 6622 B12R1.125 C=C(C)CCN1CCCCC1C 34a_100000211376_100000730704 [0,0,0,1,0,0|3,0,0]=4 6623 B12R1.125 C=C(C)CNC1CCCCC1C 2230a_100000211402_100000748629 [0,0,0,1,0,0|3,0,0]=4 6624 B12R1.125 C=C(C)CNC1CCCCC1C 34a_100000211402_100000748629 [0,0,0,1,0,0|3,0,0]=4 6625 B12R1.125 C=C(C)COC1CCCCC1C 34a_100000211207_100000748629 [0,0,0,1,0,0|3,0,0]=4 6626 B12R1.125 C=C(C)COC1CCCCC1C 7a_100000211207_100000748629 [0,0,0,1,0,0|3,0,0]=4 6627 B12R1.125 C=C(F)CNC1CCCCC1C 2230a_100000211402_100009893438 [0,0,0,1,0,0|3,0,0]=4 6628 B12R1.125 C=C(F)CNC1CCCCC1C 34a_100000211402_100009893438 [0,0,0,1,0,0|3,0,0]=4 6629 B12R1.125 C=C(F)COC1CCCCC1C 34a_100000211207_100009893438 [0,0,0,1,0,0|3,0,0]=4 6630 B12R1.125 C=C(F)COC1CCCCC1C 7a_100000211207_100000042424 [0,0,0,1,0,0|3,0,0]=4 6631 B12R1.125 CC(=O)CCC1CCCCN1C 1458a_100000070787_100000211948 [0,0,0,1,0,0|2,0,0]=3 6632 B12R1.125 CC(=O)CCC1CCCCN1C 1458a_100000718493_200000210301 [0,0,0,1,0,0|2,0,0]=3 6633 B12R1.125 CC(=O)CCN1CCCCC1C 269982a_100000211376_100000053229 [0,0,0,1,0,0|2,0,0]=3 6634 B12R1.125 CC(=O)CCN1CCOC[C@@H]1C 269982a_100009815349_100000053229 [0,0,0,1,0,0|3,0,0]=4 6635 B12R1.125 CC(=O)COC1CCCCC1C 1458a_100011223357_200000210301 [0,0,0,1,0,0|2,0,0]=3 6636 B12R1.125 CC(=O)COC1CCCCC1F 34a_100000211253_100015423560 [0,0,0,1,0,0|3,0,0]=4 6637 B12R1.125 CC(=O)COC1CCCCC1O 34a_100000211253_100000038908 [0,0,0,1,0,0|3,0,0]=4 6638 B12R1.125 CC(=O)NCC1CCCCC1O 240690a_100011216029_100015343762 [0,0,0,1,0,0|3,0,0]=4 6639 B12R1.125 CC(=O)NCC1CCCCC1O 527a_100011216029_100103153847 [0,0,0,1,0,0|3,0,0]=4 6640 B12R1.125 CC(=O)NCC1CCCCN1C 240690a_100011228421_100015343762 [0,0,0,1,0,0|3,0,0]=4 6641 B12R1.125 CC(=O)NCC1CCCCN1C 527a_100011228421_100103153847 [0,0,0,1,0,0|3,0,0]=4 6642 B12R1.125 CC(=O)OCN1CCCCC1C 269982a_100000211376_100000076356 [0,0,0,1,0,0|3,0,0]=4 6643 B12R1.125 CC(=O)OCN1CCCCC1C 34a_100000211376_100009813279 [0,0,0,1,0,0|3,0,0]=4 6644 B12R1.125 CC(O)CCN1CCCCC1C 2230a_100000211376_100012276601 [0,0,0,1,0,0|2,0,1]=4 6645 B12R1.125 CC(O)CCN1CCCCC1C 269982a_100000211376_100012276601 [0,0,0,1,0,0|2,0,1]=4 6646 B12R1.125 CC(O)CCN1CCCCC1C 34a_100000211376_100012276601 [0,0,0,1,0,0|2,0,1]=4 6647 B12R1.125 CC(O)CNC1CCCCC1C 2230a_100000211402_100011218427 [0,0,0,1,0,0|2,0,1]=4 6648 B12R1.125 CC(O)CNC1CCCCC1C 269862a_100000210904_100000210921 [0,0,0,1,0,0|2,0,1]=4 6649 B12R1.125 CC(O)CNC1CCCCC1C 270004a_100000210904_100000210921 [0,0,0,1,0,0|2,0,1]=4 6650 B12R1.125 CC(O)CNC1CCCCC1C 34a_100000211402_100011218427 [0,0,0,1,0,0|2,0,1]=4 6651 B12R1.125 CC(O)COC1CCCCC1C 34a_100000211207_100011218427 [0,0,0,1,0,0|2,0,1]=4 6652 B12R1.125 CC(O)COC1CCCCC1C 7a_100000211207_100011218427 [0,0,0,1,0,0|2,0,1]=4 6653 B12R1.125 CC1CCCCC1NCC(=O)N 2230a_100000211402_100000747473 [0,0,0,1,0,0|2,0,0]=3 6654 B12R1.125 CC1CCCCC1NCC(=O)N 34a_100000211402_100000187820 [0,0,0,1,0,0|2,0,0]=3 6655 B12R1.125 CC1CCCCC1NCC(=O)[O-] 34a_100000211402_100020667443 [0,0,0,1,0,0|1,0,1]=3 6656 B12R1.125 CC1CCCCC1NC[C@@H](C)O 2230a_100000211402_100009817552 [0,0,0,1,0,0|2,0,1]=4 6657 B12R1.125 CC1CCCCC1NC[C@@H](C)O 34a_100000211402_100009817552 [0,0,0,1,0,0|2,0,1]=4 6658 B12R1.125 CC1CCCCC1NC[N+](=O)[O-] 34a_100000211402_100000761209 [0,0,0,1,0,0|2,0,1]=4 6659 B12R1.125 CC1CCCCC1OCC(=O)N 34a_100000211207_100000187820 [0,0,0,1,0,0|2,0,0]=3 6660 B12R1.125 CC1CCCCC1OCC(=O)N 7a_100000211207_100000187820 [0,0,0,1,0,0|2,0,0]=3 6661 B12R1.125 CC1CCCCC1OCC(=O)[13CH3] 1458a_100011223357_200025704644 [0,0,0,1,0,0|2,0,0]=3 6662 B12R1.125 CC1CCCCC1OCC(=O)[O-] 34a_100000211207_100020667443 [0,0,0,1,0,0|1,0,1]=3 6663 B12R1.125 CC1CCCCC1OC[C@@H](C)O 34a_100000211207_100009817552 [0,0,0,1,0,0|2,0,1]=4 6664 B12R1.125 CC1CCCCC1OC[C@@H](C)O 7a_100000211207_100009817552 [0,0,0,1,0,0|2,0,1]=4 6665 B12R1.125 CC1CCCCC1OC[N+](=O)[O-] 34a_100000211207_100000761209 [0,0,0,1,0,0|2,0,1]=4 6666 B12R1.125 CC1CCCCN1CCC(=O)N 2230a_100000211376_100000744528 [0,0,0,1,0,0|2,0,0]=3 6667 B12R1.125 CC1CCCCN1CCC(=O)N 269982a_100000211376_100000744528 [0,0,0,1,0,0|2,0,0]=3 6668 B12R1.125 CC1CCCCN1CCC(=O)N 34a_100000211376_100000731001 [0,0,0,1,0,0|2,0,0]=3 6669 B12R1.125 CC1CCNCC1OCC(=O)N 34a_100000696640_100000187820 [0,0,0,1,0,0|3,0,0]=4 6670 B12R1.125 CC1CCNCC1OCC(=O)[O-] 34a_100000696640_100020667443 [0,0,0,1,0,0|2,0,1]=4 6671 B12R1.125 CC1CNCCC1OCC(=O)N 34a_100011998114_100000187820 [0,0,0,1,0,0|3,0,0]=4 6672 B12R1.125 CC1CNCCC1OCC(=O)[O-] 34a_100011998114_100020667443 [0,0,0,1,0,0|2,0,1]=4 6673 B12R1.125 CN1CCCCC1CCC(=O)O 269956a_100000694054_200000210301 [0,0,0,1,0,0|1,0,0]=2 6674 B12R1.125 CN1CCCCC1CCC(=O)[13CH3] 1458a_100000718493_200025704644 [0,0,0,1,0,0|2,0,0]=3 6675 B12R1.125 C[C@H]1COCCN1CCC(=O)N 2230a_100009815349_100000744528 [0,0,0,1,0,0|3,0,0]=4 6676 B12R1.125 C[C@H]1COCCN1CCC(=O)N 269982a_100009815349_100000744528 [0,0,0,1,0,0|3,0,0]=4 6677 B12R1.125 C[C@H]1COCCN1CCC(=O)N 34a_100009815349_100000731001 [0,0,0,1,0,0|3,0,0]=4 6678 B12R1.125 NC(=O)CN[C@@H]1CCCC[C@H]1F 2230a_100015195156_100000747473 [0,0,0,1,0,0|3,0,0]=4 6679 B12R1.125 NC(=O)CN[C@@H]1CCCC[C@H]1F 34a_100015195156_100000187820 [0,0,0,1,0,0|3,0,0]=4 6680 B12R1.125 NC(=O)COC1CCCCC1Cl 34a_100000038908_100000187820 [0,0,0,1,0,0|3,0,0]=4 6681 B12R1.125 NC(=O)COC1CCCCC1Cl 7a_100000038908_100000187820 [0,0,0,1,0,0|3,0,0]=4 6682 B12R1.125 NC(=O)CO[C@@H]1CCCC[C@H]1F 34a_100009816020_100000187820 [0,0,0,1,0,0|3,0,0]=4 6683 B12R1.125 NC(=O)CO[C@@H]1CCCC[C@H]1F 7a_100009816020_100000187820 [0,0,0,1,0,0|3,0,0]=4 6684 B12R1.125 NC(=O)CO[C@H]1CCCC[C@H]1N 34a_100015191688_100000187820 [0,0,0,1,0,0|3,0,0]=4 6685 B12R1.125 NC(=O)CSC1CCCCC1F 62a_100000747473_100015423560 [0,0,0,1,0,0|3,0,0]=4 6686 B12R1.125 NC(=O)CSC1CCCCC1F 62a_100015423560_100000747473 [0,0,0,1,0,0|3,0,0]=4 6687 B12R1.125 NC(=O)CSC1CCCCC1O 62a_100000038908_100000747473 [0,0,0,1,0,0|3,0,0]=4 6688 B12R1.125 NC(=O)CSC1CCCCC1O 62a_100000747473_100000038908 [0,0,0,1,0,0|3,0,0]=4 6689 B12R1.125 N[C@@H]1CCCC[C@@H]1OCC(=O)[O-] 34a_100015191688_100020667443 [0,0,0,1,0,0|2,0,1]=4 6690 B12R1.125 O=C(O)CNC1CCCCC1=O 269956a_100016091260_100000204591 [0,0,0,1,0,0|2,0,1]=4 6691 B12R1.125 O=C(O)CNC1CCCCC1F 269956a_100016091260_100015423560 [0,0,0,1,0,0|2,0,0]=3 6692 B12R1.125 O=C(O)CNC1CCCCC1O 269956a_100016091260_100000038908 [0,0,0,1,0,0|2,0,0]=3 6693 B12R1.125 O=C([O-])CN[C@@H]1CCCC[C@H]1F 34a_100015195156_100020667443 [0,0,0,1,0,0|2,0,1]=4 6694 B12R1.125 O=C([O-])COC1CCCCC1Cl 34a_100000038908_100020667443 [0,0,0,1,0,0|2,0,1]=4 6695 B12R1.125 O=C([O-])CO[C@@H]1CCCC[C@H]1F 34a_100009816020_100020667443 [0,0,0,1,0,0|2,0,1]=4 6696 B12R1.125 O=C([O-])CSC1CCCCC1F 62a_100015423560_100020667443 [0,0,0,1,0,0|2,0,1]=4 6697 B12R1.125 O=C([O-])CSC1CCCCC1F 62a_100020667443_100015423560 [0,0,0,1,0,0|2,0,1]=4 6698 B12R1.125 O=C([O-])CSC1CCCCC1O 62a_100000038908_100020667443 [0,0,0,1,0,0|2,0,1]=4 6699 B12R1.125 O=C([O-])CSC1CCCCC1O 62a_100020667443_100000038908 [0,0,0,1,0,0|2,0,1]=4 6700 B12R1.125 [13CH3]N1CCCCC1CCC(=O)O 269956a_100000694054_200025704644 [0,0,0,1,0,0|1,0,0]=2 6701 B12R1.130 C=C(C)CCOC1CCCC1C 34a_100011216460_100000730704 [0,0,0,1,0,0|3,0,0]=4 6702 B12R1.130 C=C(C)CCOC1CCCC1C 7a_100011216460_100000730704 [0,0,0,1,0,0|3,0,0]=4 6703 B12R1.130 CC(=O)CCCN1CCC[C@@H]1C 269982a_100020605311_100011215641 [0,0,0,1,0,0|2,0,0]=3 6704 B12R1.130 CC(=O)CCCN1CCC[C@H]1C 269982a_100015189458_100011215641 [0,0,0,1,0,0|2,0,0]=3 6705 B12R1.130 CC(=O)CCCN1CCC[C@H]1C 34a_100015189458_100000685027 [0,0,0,1,0,0|2,0,0]=3 6706 B12R1.130 CC(=O)CCCN1CCSC1C 269982a_200011216479_100011215641 [0,0,0,1,0,0|3,0,0]=4 6707 B12R1.130 CC(=O)CCCN1CCSC1C 34a_200011216479_100000685027 [0,0,0,1,0,0|3,0,0]=4 6708 B12R1.130 CC(=O)CCOC1CCCC1C 7a_100011216460_100000053229 [0,0,0,1,0,0|2,0,0]=3 6709 B12R1.130 CC(=O)CCS[C@@H]1CCC[C@H]1O 62a_100000053229_200016002552 [0,0,0,1,0,0|3,0,0]=4 6710 B12R1.130 CC(=O)CCS[C@@H]1CCC[C@H]1O 62a_200016002552_100000053229 [0,0,0,1,0,0|3,0,0]=4 6711 B12R1.130 CC(=O)NCCC1CCCN1C 240690a_100011219722_100015343762 [0,0,0,1,0,0|3,0,0]=4 6712 B12R1.130 CC(=O)NCCC1CCCN1C 527a_100011219722_100103153847 [0,0,0,1,0,0|3,0,0]=4 6713 B12R1.130 CC(=O)NCCN1CCC[C@@H]1C 2230a_100020605311_100000189650 [0,0,0,1,0,0|3,0,0]=4 6714 B12R1.130 CC(=O)NCCN1CCC[C@@H]1C 269982a_100020605311_100000189650 [0,0,0,1,0,0|3,0,0]=4 6715 B12R1.130 CC(=O)NCCN1CCC[C@H]1C 2230a_100015189458_100000189650 [0,0,0,1,0,0|3,0,0]=4 6716 B12R1.130 CC(=O)NCCN1CCC[C@H]1C 269982a_100015189458_100000189650 [0,0,0,1,0,0|3,0,0]=4 6717 B12R1.130 CC(=O)OCCN1CCC[C@@H]1C 269982a_100020605311_100009814007 [0,0,0,1,0,0|3,0,0]=4 6718 B12R1.130 CC(=O)OCCN1CCC[C@H]1C 269982a_100015189458_100009814007 [0,0,0,1,0,0|3,0,0]=4 6719 B12R1.130 CC(=O)OCCN1CCC[C@H]1C 34a_100015189458_100009814007 [0,0,0,1,0,0|3,0,0]=4 6720 B12R1.130 CC(=O)OCOC1CCCC1C 34a_100011216460_100009813279 [0,0,0,1,0,0|3,0,0]=4 6721 B12R1.130 CC(O)CCCN1CCC[C@@H]1C 2230a_100020605311_200000718107 [0,0,0,1,0,0|2,0,1]=4 6722 B12R1.130 CC(O)CCCN1CCC[C@@H]1C 269982a_100020605311_200000718107 [0,0,0,1,0,0|2,0,1]=4 6723 B12R1.130 CC(O)CCCN1CCC[C@H]1C 2230a_100015189458_200000718107 [0,0,0,1,0,0|2,0,1]=4 6724 B12R1.130 CC(O)CCCN1CCC[C@H]1C 269982a_100015189458_200000718107 [0,0,0,1,0,0|2,0,1]=4 6725 B12R1.130 CC(O)CCCN1CCC[C@H]1C 34a_100015189458_200000718107 [0,0,0,1,0,0|2,0,1]=4 6726 B12R1.130 CC(O)CCNC1CCCC1C 269862a_200000755665_100000752053 [0,0,0,1,0,0|2,0,1]=4 6727 B12R1.130 CC(O)CCOC1CCCC1C 34a_100011216460_100012276601 [0,0,0,1,0,0|2,0,1]=4 6728 B12R1.130 CC(O)CCOC1CCCC1C 7a_100011216460_100012276601 [0,0,0,1,0,0|2,0,1]=4 6729 B12R1.130 CC1CCCC1NCCC(=O)N 269862a_100000740010_100000752053 [0,0,0,1,0,0|2,0,0]=3 6730 B12R1.130 CC1CCCC1OCCC(=O)N 34a_100011216460_100000731001 [0,0,0,1,0,0|2,0,0]=3 6731 B12R1.130 CC1CCCC1OCCC(=O)N 7a_100011216460_100000744528 [0,0,0,1,0,0|2,0,0]=3 6732 B12R1.130 CC1SCCN1CCCC(=O)N 269982a_200011216479_100102525003 [0,0,0,1,0,0|3,0,0]=4 6733 B12R1.130 CC1SCCN1CCCC(=O)N 34a_200011216479_100102525003 [0,0,0,1,0,0|3,0,0]=4 6734 B12R1.130 CN1CCCC1COCC(=O)N 34a_100000743107_100000187820 [0,0,0,1,0,0|3,0,0]=4 6735 B12R1.130 CN1CCCC1COCC(=O)[O-] 34a_100000743107_100020667443 [0,0,0,1,0,0|2,0,1]=4 6736 B12R1.130 C[C@@H]1CCCN1CCCC(=O)N 269982a_100015189458_100102525003 [0,0,0,1,0,0|2,0,0]=3 6737 B12R1.130 C[C@@H]1CCCN1CCCC(=O)N 34a_100015189458_100102525003 [0,0,0,1,0,0|2,0,0]=3 6738 B12R1.130 C[C@@H]1CCCN1CCNC(=O)N 2230a_100015189458_200000034859 [0,0,0,1,0,0|3,0,0]=4 6739 B12R1.130 C[C@@H]1CCCN1CCNC(=O)N 269982a_100015189458_200000034859 [0,0,0,1,0,0|3,0,0]=4 6740 B12R1.130 C[C@@H]1CCCN1CCOC(=O)N 269982a_100015189458_200011214921 [0,0,0,1,0,0|3,0,0]=4 6741 B12R1.130 C[C@@H]1CCCN1CCOC(=O)N 34a_100015189458_200011214921 [0,0,0,1,0,0|3,0,0]=4 6742 B12R1.130 C[C@@H]1CNC[C@@H]1OCCC(=O)N 34a_200015306588_100000731001 [0,0,0,1,0,0|3,0,0]=4 6743 B12R1.130 C[C@H]1CCCN1CCCC(=O)N 269982a_100020605311_100102525003 [0,0,0,1,0,0|2,0,0]=3 6744 B12R1.130 C[C@H]1CCCN1CCNC(=O)N 2230a_100020605311_200000034859 [0,0,0,1,0,0|3,0,0]=4 6745 B12R1.130 C[C@H]1CCCN1CCNC(=O)N 269982a_100020605311_200000034859 [0,0,0,1,0,0|3,0,0]=4 6746 B12R1.130 C[C@H]1CCCN1CCOC(=O)N 269982a_100020605311_200011214921 [0,0,0,1,0,0|3,0,0]=4 6747 B12R1.130 NC(=O)CCO[C@@H]1CCC[C@H]1Cl 34a_200016002552_100000731001 [0,0,0,1,0,0|3,0,0]=4 6748 B12R1.130 NC(=O)CCO[C@H]1CCC[C@@H]1N 34a_100000748460_100000731001 [0,0,0,1,0,0|3,0,0]=4 6749 B12R1.130 NC(=O)CCS[C@@H]1CCC[C@H]1O 62a_100000744528_200016002552 [0,0,0,1,0,0|3,0,0]=4 6750 B12R1.130 NC(=O)CCS[C@@H]1CCC[C@H]1O 62a_200016002552_100000744528 [0,0,0,1,0,0|3,0,0]=4 6751 B12R1.130 O=C(O)CON[C@@H]1CCC[C@H]1O 269956a_100000106656_200016002552 [0,0,0,1,0,0|3,0,0]=4 6752 B12R1.143 CC(=O)CCCCN[C@@H]1C[C@H]1F 34a_100025746932_100009817362 [0,0,0,1,0,0|3,0,0]=4 6753 B12R1.143 CC(=O)CCCOCC1CC1C 34a_100000744939_100000685027 [0,0,0,1,0,0|2,0,0]=3 6754 B12R1.143 CC(=O)CCCOCC1CC1C 7a_100000744939_100011215641 [0,0,0,1,0,0|2,0,0]=3 6755 B12R1.143 CC(=O)NCCOCC1CC1C 7a_100000744939_100000189650 [0,0,0,1,0,0|3,0,0]=4 6756 B12R1.143 CC(=O)OCCOCC1CC1C 34a_100000744939_100009814007 [0,0,0,1,0,0|3,0,0]=4 6757 B12R1.143 CC(=O)OCCOCC1CC1C 7a_100000744939_100009814007 [0,0,0,1,0,0|3,0,0]=4 6758 B12R1.143 CC(O)CCCOCC1CC1C 34a_100000744939_200000718107 [0,0,0,1,0,0|2,0,1]=4 6759 B12R1.143 CC(O)CCCOCC1CC1C 7a_100000744939_200000718107 [0,0,0,1,0,0|2,0,1]=4 6760 B12R1.143 CC1CC1COCCCC(=O)N 34a_100000744939_100102525003 [0,0,0,1,0,0|2,0,0]=3 6761 B12R1.143 CC1CC1COCCCC(=O)N 7a_100000744939_100102525003 [0,0,0,1,0,0|2,0,0]=3 6762 B12R1.143 CC1CC1COCCNC(=O)N 7a_100000744939_200000034859 [0,0,0,1,0,0|3,0,0]=4 6763 B12R1.143 CC1CC1COCCOC(=O)N 34a_100000744939_200011214921 [0,0,0,1,0,0|3,0,0]=4 6764 B12R1.143 CC1CC1COCCOC(=O)N 7a_100000744939_200011214921 [0,0,0,1,0,0|3,0,0]=4 6765 B12R1.162 COCC1CCN1CCC(=O)C 269982a_100015195929_100000053229 [0,0,0,1,0,0|3,0,0]=4 6766 B12R1.162 COCC1CCN1CCC(=O)N 2230a_100015195929_100000744528 [0,0,0,1,0,0|3,0,0]=4 6767 B12R1.162 COCC1CCN1CCC(=O)N 269982a_100015195929_100000744528 [0,0,0,1,0,0|3,0,0]=4 6768 B12R1.162 COCC1CCN1CCC(=O)N 34a_100015195929_100000731001 [0,0,0,1,0,0|3,0,0]=4 6769 B12R1.229 CC(=O)CCCCN1CCC1C 269982a_100000755817_100000735457 [0,0,0,1,0,0|2,0,0]=3 6770 B12R1.229 CC(=O)CCCCN1CCC1C 34a_100000755817_100009817362 [0,0,0,1,0,0|2,0,0]=3 6771 B12R1.229 CC(=O)OCCCN1CCC1C 269982a_100000755817_100000042594 [0,0,0,1,0,0|3,0,0]=4 6772 B12R1.229 CC(=O)OCCCN1CCC1C 34a_100000755817_100000042594 [0,0,0,1,0,0|3,0,0]=4 6773 B12R1.229 CC(=O)SCCCN1CCC1C 269982a_100000755817_100000038929 [0,0,0,1,0,0|3,0,0]=4 6774 B12R1.229 CC(=O)SCCCN1CCC1C 34a_100000755817_100000038929 [0,0,0,1,0,0|3,0,0]=4 6775 B12R1.229 CC1CCN1CCCCB(O)O 269982a_100000755817_200009817182 [0,0,0,1,0,0|2,0,1]=4 6776 B12R1.229 CC1CCN1CCCCB(O)O 34a_100000755817_200009817182 [0,0,0,1,0,0|2,0,1]=4 6777 B12R1.229 CC1CCN1CCOCC(=O)N 269982a_100000755817_100000076697 [0,0,0,1,0,0|3,0,0]=4 6778 B12R1.229 CC1CCN1CCOCC(=O)N 34a_100000755817_100000076697 [0,0,0,1,0,0|3,0,0]=4 6779 B12R1.229 O=C(O)CNCCC1CCC1=O 269956a_100016091260_200016118888 [0,0,0,1,0,0|2,0,1]=4 6780 B12R1.252 C=C(Br)CCOC1CCCCC1 34a_100009813270_100000210327 [0,0,0,1,0,0|3,0,0]=4 6781 B12R1.252 C=C(C)CCNC1CCCCC1 2230a_100000182618_100000730704 [0,0,0,1,0,0|3,0,0]=4 6782 B12R1.252 C=C(C)CCNC1CCCCC1 34a_100000182618_100000730704 [0,0,0,1,0,0|3,0,0]=4 6783 B12R1.252 C=C(C)CCOC1CCCCC1 34a_100000210231_100000730704 [0,0,0,1,0,0|3,0,0]=4 6784 B12R1.252 C=C(C)CCOC1CCCCC1 34a_100000764851_100000210327 [0,0,0,1,0,0|3,0,0]=4 6785 B12R1.252 C=C(C)CCOC1CCCCC1 7a_100000210231_100000730704 [0,0,0,1,0,0|3,0,0]=4 6786 B12R1.252 C=C(C)CCSC1CCCCC1 62a_100000210327_100000730704 [0,0,0,1,0,0|3,0,0]=4 6787 B12R1.252 C=C(C)CCSC1CCCCC1 62a_100000730704_100000210327 [0,0,0,1,0,0|3,0,0]=4 6788 B12R1.252 C=C(C)CNCC1CCCCC1 2230a_100000210473_100000748629 [0,0,0,1,0,0|3,0,0]=4 6789 B12R1.252 C=C(C)CNCC1CCCCC1 34a_100000210473_100000748629 [0,0,0,1,0,0|3,0,0]=4 6790 B12R1.252 C=C(C)COCC1CCCCC1 34a_100000210245_100000211423 [0,0,0,1,0,0|3,0,0]=4 6791 B12R1.252 C=C(C)COCC1CCCCC1 34a_100000212181_100000748629 [0,0,0,1,0,0|3,0,0]=4 6792 B12R1.252 C=C(C)COCC1CCCCC1 7a_100000212181_100000748629 [0,0,0,1,0,0|3,0,0]=4 6793 B12R1.252 C=C(C)CSCC1CCCCC1 62a_100000211423_100000211660 [0,0,0,1,0,0|3,0,0]=4 6794 B12R1.252 C=C(C)CSCC1CCCCC1 62a_100000748629_100000211423 [0,0,0,1,0,0|3,0,0]=4 6795 B12R1.252 C=C(F)CNCC1CCCCC1 2230a_100000210473_100009893438 [0,0,0,1,0,0|3,0,0]=4 6796 B12R1.252 C=C(F)CNCC1CCCCC1 34a_100000210473_100009893438 [0,0,0,1,0,0|3,0,0]=4 6797 B12R1.252 C=C(F)COCC1CCCCC1 34a_100000212181_100009893438 [0,0,0,1,0,0|3,0,0]=4 6798 B12R1.252 C=C(F)COCC1CCCCC1 34a_200010262243_100000211423 [0,0,0,1,0,0|3,0,0]=4 6799 B12R1.252 C=C(F)COCC1CCCCC1 7a_100000212181_100000042424 [0,0,0,1,0,0|3,0,0]=4 6800 B12R1.252 C=C(F)CSCC1CCCCC1 62a_100000042424_100000211423 [0,0,0,1,0,0|3,0,0]=4 6801 B12R1.252 C=C(F)CSCC1CCCCC1 62a_100000211423_100000042424 [0,0,0,1,0,0|3,0,0]=4 6802 B12R1.252 CC(=O)CCCC1CCCCC1 1458a_100000070787_100011713725 [0,0,0,1,0,0|1,0,0]=2 6803 B12R1.252 CC(=O)CCCC1CCCCC1 1458a_100000211478_200000210301 [0,0,0,1,0,0|1,0,0]=2 6804 B12R1.252 CC(=O)CCCN1CCCCC1 1458a_100000070787_100000690320 [0,0,0,1,0,0|2,0,0]=3 6805 B12R1.252 CC(=O)CCCN1CCCCC1 1458a_100000742516_200000210301 [0,0,0,1,0,0|2,0,0]=3 6806 B12R1.252 CC(=O)CCCN1CCCOC1 269982a_100000131196_100011215641 [0,0,0,1,0,0|3,0,0]=4 6807 B12R1.252 CC(=O)CCCN1CCCOC1 34a_100000131196_100000685027 [0,0,0,1,0,0|3,0,0]=4 6808 B12R1.252 CC(=O)CCCN1CCOCC1 1458a_100000070787_100000748698 [0,0,0,1,0,0|3,0,0]=4 6809 B12R1.252 CC(=O)CCCN1CCOCC1 269982a_100015191051_100011215641 [0,0,0,1,0,0|3,0,0]=4 6810 B12R1.252 CC(=O)CCCN1CCOCC1 34a_100015191051_100000685027 [0,0,0,1,0,0|3,0,0]=4 6811 B12R1.252 CC(=O)CCCN1CCSCC1 269982a_100000737611_100011215641 [0,0,0,1,0,0|3,0,0]=4 6812 B12R1.252 CC(=O)CCOC1CCCCC1 1458a_100000070787_100011211530 [0,0,0,1,0,0|2,0,0]=3 6813 B12R1.252 CC(=O)CCOC1CCCCC1 34a_100000759926_100000210327 [0,0,0,1,0,0|2,0,0]=3 6814 B12R1.252 CC(=O)CCOC1CCCCC1 7a_100000210231_100000053229 [0,0,0,1,0,0|2,0,0]=3 6815 B12R1.252 CC(=O)CCOC1CCCCC1 7a_100000759926_100000210327 [0,0,0,1,0,0|2,0,0]=3 6816 B12R1.252 CC(=O)CCOC1CCCCO1 1458a_100000070787_100000744793 [0,0,0,1,0,0|3,0,0]=4 6817 B12R1.252 CC(=O)CCOC1CCCOC1 34a_100000759926_100000693364 [0,0,0,1,0,0|3,0,0]=4 6818 B12R1.252 CC(=O)CCOC1CCCOC1 7a_100000759926_100000693364 [0,0,0,1,0,0|3,0,0]=4 6819 B12R1.252 CC(=O)CCOC1CCCSC1 7a_100015962668_100000053229 [0,0,0,1,0,0|3,0,0]=4 6820 B12R1.252 CC(=O)CCOC1CCOCC1 7a_100000759926_100000686592 [0,0,0,1,0,0|3,0,0]=4 6821 B12R1.252 CC(=O)CCOC1CCSCC1 34a_100000759926_100000069128 [0,0,0,1,0,0|3,0,0]=4 6822 B12R1.252 CC(=O)CCOC1CCSCC1 7a_100000731022_100000053229 [0,0,0,1,0,0|3,0,0]=4 6823 B12R1.252 CC(=O)CCOC1CCSCC1 7a_100000759926_100011500858 [0,0,0,1,0,0|3,0,0]=4 6824 B12R1.252 CC(=O)CCSC1CCCCC1 62a_100000053229_100000210327 [0,0,0,1,0,0|2,0,0]=3 6825 B12R1.252 CC(=O)CCSC1CCCCC1 62a_100000210327_100000053229 [0,0,0,1,0,0|2,0,0]=3 6826 B12R1.252 CC(=O)CCSC1CCCOC1 62a_100000053229_100000693364 [0,0,0,1,0,0|3,0,0]=4 6827 B12R1.252 CC(=O)CCSC1CCOCC1 62a_100000053229_100011324220 [0,0,0,1,0,0|3,0,0]=4 6828 B12R1.252 CC(=O)CCSC1CCSCC1 62a_100000053229_100000069128 [0,0,0,1,0,0|3,0,0]=4 6829 B12R1.252 CC(=O)COCC1CCCCC1 34a_100000211253_100000211423 [0,0,0,1,0,0|2,0,0]=3 6830 B12R1.252 CC(=O)COCC1CCCCO1 1458a_100011223378_200000210301 [0,0,0,1,0,0|3,0,0]=4 6831 B12R1.252 CC(=O)COCC1CCCCO1 34a_100000211253_100000211543 [0,0,0,1,0,0|3,0,0]=4 6832 B12R1.252 CC(=O)COCC1CCCOC1 34a_100000211253_100000741521 [0,0,0,1,0,0|3,0,0]=4 6833 B12R1.252 CC(=O)COCC1CCOCC1 34a_100000211253_100000754603 [0,0,0,1,0,0|3,0,0]=4 6834 B12R1.252 CC(=O)NCCC1CCCCC1 11a_100000738074_100015343762 [0,0,0,1,0,0|2,0,0]=3 6835 B12R1.252 CC(=O)NCCC1CCCCC1 1626a_100000738074_100015343762 [0,0,0,1,0,0|2,0,0]=3 6836 B12R1.252 CC(=O)NCCC1CCCCC1 240690a_100000738074_100015343762 [0,0,0,1,0,0|2,0,0]=3 6837 B12R1.252 CC(=O)NCCC1CCCCC1 527a_100000738074_100103153847 [0,0,0,1,0,0|2,0,0]=3 6838 B12R1.252 CC(=O)NCCC1CCCCO1 11a_100015183643_100015343762 [0,0,0,1,0,0|3,0,0]=4 6839 B12R1.252 CC(=O)NCCC1CCCCO1 1626a_100015183643_100015343762 [0,0,0,1,0,0|3,0,0]=4 6840 B12R1.252 CC(=O)NCCC1CCCCO1 240690a_100015183643_100015343762 [0,0,0,1,0,0|3,0,0]=4 6841 B12R1.252 CC(=O)NCCC1CCCCO1 527a_100015183643_100103153847 [0,0,0,1,0,0|3,0,0]=4 6842 B12R1.252 CC(=O)NCCC1CCOCC1 11a_100000755988_100015343762 [0,0,0,1,0,0|3,0,0]=4 6843 B12R1.252 CC(=O)NCCC1CCOCC1 1626a_100000755988_100015343762 [0,0,0,1,0,0|3,0,0]=4 6844 B12R1.252 CC(=O)NCCC1CCOCC1 240690a_100000755988_100015343762 [0,0,0,1,0,0|3,0,0]=4 6845 B12R1.252 CC(=O)NCCC1CCOCC1 527a_100000755988_100103153847 [0,0,0,1,0,0|3,0,0]=4 6846 B12R1.252 CC(=O)NCCN1CCCCC1 240690a_100000216509_100015343762 [0,0,0,1,0,0|3,0,0]=4 6847 B12R1.252 CC(=O)NCCN1CCCCC1 527a_100000216509_100103153847 [0,0,0,1,0,0|3,0,0]=4 6848 B12R1.252 CC(=O)NNCC1CCCCC1 22a_100000740227_100000070787 [0,0,0,1,0,0|3,0,0]=4 6849 B12R1.252 CC(=O)OCNC1CCCCC1 34a_100000182618_100009813279 [0,0,0,1,0,0|3,0,0]=4 6850 B12R1.252 CC(=O)OCOC1CCCCC1 34a_100000210231_100009813279 [0,0,0,1,0,0|3,0,0]=4 6851 B12R1.252 CC(=O)OCSC1CCCCC1 62a_100000076356_100000210327 [0,0,0,1,0,0|3,0,0]=4 6852 B12R1.252 CC(=O)OCSC1CCCCC1 62a_100000210327_100000076356 [0,0,0,1,0,0|3,0,0]=4 6853 B12R1.252 CC(O)CCNC1CCCCC1 2230a_100000182618_100012276601 [0,0,0,1,0,0|2,0,1]=4 6854 B12R1.252 CC(O)CCNC1CCCCC1 270004a_200000755665_100000210434 [0,0,0,1,0,0|2,0,1]=4 6855 B12R1.252 CC(O)CCNC1CCCCC1 34a_100000182618_100012276601 [0,0,0,1,0,0|2,0,1]=4 6856 B12R1.252 CC(O)CCOC1CCCCC1 34a_100000210231_100012276601 [0,0,0,1,0,0|2,0,1]=4 6857 B12R1.252 CC(O)CCOC1CCCCC1 7a_100000210231_100012276601 [0,0,0,1,0,0|2,0,1]=4 6858 B12R1.252 CC(O)CCSC1CCCCC1 62a_100000210327_100012276601 [0,0,0,1,0,0|2,0,1]=4 6859 B12R1.252 CC(O)CCSC1CCCCC1 62a_100012276601_100000210327 [0,0,0,1,0,0|2,0,1]=4 6860 B12R1.252 CC(O)CNCC1CCCCC1 2230a_100000210473_100011218427 [0,0,0,1,0,0|2,0,1]=4 6861 B12R1.252 CC(O)CNCC1CCCCC1 2230a_100000210904_100000211423 [0,0,0,1,0,0|2,0,1]=4 6862 B12R1.252 CC(O)CNCC1CCCCC1 269862a_100000210904_100000211278 [0,0,0,1,0,0|2,0,1]=4 6863 B12R1.252 CC(O)CNCC1CCCCC1 34a_100000210473_100011218427 [0,0,0,1,0,0|2,0,1]=4 6864 B12R1.252 CC(O)CNCC1CCCCC1 34a_100000210904_100000211423 [0,0,0,1,0,0|2,0,1]=4 6865 B12R1.252 CC(O)COCC1CCCCC1 34a_100000212181_100011218427 [0,0,0,1,0,0|2,0,1]=4 6866 B12R1.252 CC(O)COCC1CCCCC1 7a_100000212181_100011218427 [0,0,0,1,0,0|2,0,1]=4 6867 B12R1.252 CC(O)CSCC1CCCCC1 62a_100000211423_100011218427 [0,0,0,1,0,0|2,0,1]=4 6868 B12R1.252 CC(O)CSCC1CCCCC1 62a_100011218427_100000211423 [0,0,0,1,0,0|2,0,1]=4 6869 B12R1.252 CN(C)CCCC1CCCCC1 2230a_100102631434_100011713725 [0,0,0,1,0,0|3,0,0]=4 6870 B12R1.252 CN(C)CCCC1CCCCC1 269982a_100102631434_100011713725 [0,0,0,1,0,0|3,0,0]=4 6871 B12R1.252 C[C@@H](O)CNCC1CCCCC1 2230a_100000210473_100009817552 [0,0,0,1,0,0|2,0,1]=4 6872 B12R1.252 C[C@@H](O)CNCC1CCCCC1 34a_100000210473_100009817552 [0,0,0,1,0,0|2,0,1]=4 6873 B12R1.252 C[C@@H](O)COCC1CCCCC1 34a_100000212181_100009817552 [0,0,0,1,0,0|2,0,1]=4 6874 B12R1.252 C[C@@H](O)COCC1CCCCC1 7a_100000212181_100009817552 [0,0,0,1,0,0|2,0,1]=4 6875 B12R1.252 C[C@@H](O)CSCC1CCCCC1 62a_100000211423_100009817552 [0,0,0,1,0,0|2,0,1]=4 6876 B12R1.252 C[C@@H](O)CSCC1CCCCC1 62a_100009817552_100000211423 [0,0,0,1,0,0|2,0,1]=4 6877 B12R1.252 NC(=O)CCCN1CCCOC1 269982a_100000131196_100102525003 [0,0,0,1,0,0|3,0,0]=4 6878 B12R1.252 NC(=O)CCCN1CCCOC1 34a_100000131196_100102525003 [0,0,0,1,0,0|3,0,0]=4 6879 B12R1.252 NC(=O)CCCN1CCOCC1 269982a_100015191051_100102525003 [0,0,0,1,0,0|3,0,0]=4 6880 B12R1.252 NC(=O)CCCN1CCOCC1 34a_100015191051_100102525003 [0,0,0,1,0,0|3,0,0]=4 6881 B12R1.252 NC(=O)CCCN1CCSCC1 269982a_100000737611_100102525003 [0,0,0,1,0,0|3,0,0]=4 6882 B12R1.252 NC(=O)CCNC1CCCCC1 2230a_100000182618_100000744528 [0,0,0,1,0,0|2,0,0]=3 6883 B12R1.252 NC(=O)CCNC1CCCCC1 34a_100000182618_100000731001 [0,0,0,1,0,0|2,0,0]=3 6884 B12R1.252 NC(=O)CCNC1CCCOC1 2230a_100000719290_100000744528 [0,0,0,1,0,0|3,0,0]=4 6885 B12R1.252 NC(=O)CCNC1CCCOC1 34a_100000719290_100000731001 [0,0,0,1,0,0|3,0,0]=4 6886 B12R1.252 NC(=O)CCNC1CCOCC1 2230a_100000741149_100000744528 [0,0,0,1,0,0|3,0,0]=4 6887 B12R1.252 NC(=O)CCNC1CCOCC1 34a_100000741149_100000731001 [0,0,0,1,0,0|3,0,0]=4 6888 B12R1.252 NC(=O)CCNC1CCSCC1 2230a_100000748639_100000744528 [0,0,0,1,0,0|3,0,0]=4 6889 B12R1.252 NC(=O)CCNC1CCSCC1 34a_100000748639_100000731001 [0,0,0,1,0,0|3,0,0]=4 6890 B12R1.252 NC(=O)CCOC1CCCCC1 34a_100000210231_100000731001 [0,0,0,1,0,0|2,0,0]=3 6891 B12R1.252 NC(=O)CCOC1CCCCC1 34a_100000757172_100000210327 [0,0,0,1,0,0|2,0,0]=3 6892 B12R1.252 NC(=O)CCOC1CCCCC1 7a_100000210231_100000744528 [0,0,0,1,0,0|2,0,0]=3 6893 B12R1.252 NC(=O)CCOC1CCCCC1 7a_100000757172_100000210327 [0,0,0,1,0,0|2,0,0]=3 6894 B12R1.252 NC(=O)CCOC1CCCCO1 34a_100000033831_100000731001 [0,0,0,1,0,0|3,0,0]=4 6895 B12R1.252 NC(=O)CCOC1CCCOC1 34a_100000754041_100000731001 [0,0,0,1,0,0|3,0,0]=4 6896 B12R1.252 NC(=O)CCOC1CCCOC1 34a_100000757172_100000693364 [0,0,0,1,0,0|3,0,0]=4 6897 B12R1.252 NC(=O)CCOC1CCCOC1 7a_100000757172_100000693364 [0,0,0,1,0,0|3,0,0]=4 6898 B12R1.252 NC(=O)CCOC1CCCSC1 7a_100015962668_100000744528 [0,0,0,1,0,0|3,0,0]=4 6899 B12R1.252 NC(=O)CCOC1CCOCC1 34a_100000744328_100000731001 [0,0,0,1,0,0|3,0,0]=4 6900 B12R1.252 NC(=O)CCOC1CCOCC1 7a_100000757172_100000686592 [0,0,0,1,0,0|3,0,0]=4 6901 B12R1.252 NC(=O)CCOC1CCSCC1 34a_100000731022_100000731001 [0,0,0,1,0,0|3,0,0]=4 6902 B12R1.252 NC(=O)CCOC1CCSCC1 34a_100000757172_100000069128 [0,0,0,1,0,0|3,0,0]=4 6903 B12R1.252 NC(=O)CCOC1CCSCC1 7a_100000731022_100000744528 [0,0,0,1,0,0|3,0,0]=4 6904 B12R1.252 NC(=O)CCOC1CCSCC1 7a_100000757172_100011500858 [0,0,0,1,0,0|3,0,0]=4 6905 B12R1.252 NC(=O)CCSC1CCCCC1 62a_100000210327_100000744528 [0,0,0,1,0,0|2,0,0]=3 6906 B12R1.252 NC(=O)CCSC1CCCCC1 62a_100000744528_100000210327 [0,0,0,1,0,0|2,0,0]=3 6907 B12R1.252 NC(=O)CCSC1CCCOC1 62a_100000744528_100000693364 [0,0,0,1,0,0|3,0,0]=4 6908 B12R1.252 NC(=O)CCSC1CCOCC1 62a_100000744528_100011324220 [0,0,0,1,0,0|3,0,0]=4 6909 B12R1.252 NC(=O)CCSC1CCSCC1 62a_100000744528_100000069128 [0,0,0,1,0,0|3,0,0]=4 6910 B12R1.252 NC(=O)CNCC1CCCCC1 2230a_100000210473_100000747473 [0,0,0,1,0,0|2,0,0]=3 6911 B12R1.252 NC(=O)CNCC1CCCCC1 2230a_100000711301_100000211423 [0,0,0,1,0,0|2,0,0]=3 6912 B12R1.252 NC(=O)CNCC1CCCCC1 34a_100000210473_100000187820 [0,0,0,1,0,0|2,0,0]=3 6913 B12R1.252 NC(=O)CNCC1CCCCO1 2230a_100000174945_100000747473 [0,0,0,1,0,0|3,0,0]=4 6914 B12R1.252 NC(=O)CNCC1CCCCO1 2230a_100000711301_100000211543 [0,0,0,1,0,0|3,0,0]=4 6915 B12R1.252 NC(=O)CNCC1CCCCO1 34a_100000174945_100000187820 [0,0,0,1,0,0|3,0,0]=4 6916 B12R1.252 NC(=O)CNCC1CCCOC1 2230a_100000711301_100000741521 [0,0,0,1,0,0|3,0,0]=4 6917 B12R1.252 NC(=O)CNCC1CCCOC1 2230a_100000720124_100000747473 [0,0,0,1,0,0|3,0,0]=4 6918 B12R1.252 NC(=O)CNCC1CCCOC1 34a_100000720124_100000187820 [0,0,0,1,0,0|3,0,0]=4 6919 B12R1.252 NC(=O)CNCC1CCOCC1 2230a_100000711301_100000754603 [0,0,0,1,0,0|3,0,0]=4 6920 B12R1.252 NC(=O)CNCC1CCOCC1 2230a_100000746373_100000747473 [0,0,0,1,0,0|3,0,0]=4 6921 B12R1.252 NC(=O)CNCC1CCOCC1 34a_100000746373_100000187820 [0,0,0,1,0,0|3,0,0]=4 6922 B12R1.252 NC(=O)CNCC1CCSCC1 2230a_100015188806_100000747473 [0,0,0,1,0,0|3,0,0]=4 6923 B12R1.252 NC(=O)CNCC1CCSCC1 34a_100015188806_100000187820 [0,0,0,1,0,0|3,0,0]=4 6924 B12R1.252 NC(=O)COCC1CCCCC1 34a_100000212181_100000187820 [0,0,0,1,0,0|2,0,0]=3 6925 B12R1.252 NC(=O)COCC1CCCCC1 7a_100000212181_100000187820 [0,0,0,1,0,0|2,0,0]=3 6926 B12R1.252 NC(=O)COCC1CCCCN1 34a_100000210821_100000187820 [0,0,0,1,0,0|3,0,0]=4 6927 B12R1.252 NC(=O)COCC1CCCCO1 34a_100000211370_100000187820 [0,0,0,1,0,0|3,0,0]=4 6928 B12R1.252 NC(=O)COCC1CCCCO1 7a_100000211370_100000187820 [0,0,0,1,0,0|3,0,0]=4 6929 B12R1.252 NC(=O)COCC1CCCNC1 34a_100000211344_100000187820 [0,0,0,1,0,0|3,0,0]=4 6930 B12R1.252 NC(=O)COCC1CCCOC1 34a_100000741520_100000187820 [0,0,0,1,0,0|3,0,0]=4 6931 B12R1.252 NC(=O)COCC1CCNCC1 34a_100000738675_100000187820 [0,0,0,1,0,0|3,0,0]=4 6932 B12R1.252 NC(=O)COCC1CCOCC1 34a_100000749013_100000187820 [0,0,0,1,0,0|3,0,0]=4 6933 B12R1.252 NC(=O)COCC1CCSCC1 34a_100000070558_100000187820 [0,0,0,1,0,0|3,0,0]=4 6934 B12R1.252 NC(=O)COCC1CCSCC1 7a_100000070558_100000187820 [0,0,0,1,0,0|3,0,0]=4 6935 B12R1.252 NC(=O)CSCC1CCCCC1 62a_100000211423_100000747473 [0,0,0,1,0,0|2,0,0]=3 6936 B12R1.252 NC(=O)CSCC1CCCCC1 62a_100000747473_100000211423 [0,0,0,1,0,0|2,0,0]=3 6937 B12R1.252 NC(=O)CSCC1CCCCO1 62a_100000211543_100000747473 [0,0,0,1,0,0|3,0,0]=4 6938 B12R1.252 NC(=O)CSCC1CCCCO1 62a_100000747473_100000211543 [0,0,0,1,0,0|3,0,0]=4 6939 B12R1.252 NC(=O)CSCC1CCCOC1 62a_100000741521_100000747473 [0,0,0,1,0,0|3,0,0]=4 6940 B12R1.252 NC(=O)CSCC1CCCOC1 62a_100000747473_100000741521 [0,0,0,1,0,0|3,0,0]=4 6941 B12R1.252 NC(=O)CSCC1CCOCC1 62a_100000747473_100000749018 [0,0,0,1,0,0|3,0,0]=4 6942 B12R1.252 NC(=O)CSCC1CCOCC1 62a_100000754603_100000747473 [0,0,0,1,0,0|3,0,0]=4 6943 B12R1.252 O=C(O)CNCC1CCCCC1 269956a_100016091260_100000211423 [0,0,0,1,0,0|1,0,0]=2 6944 B12R1.252 O=C(O)CNCC1CCCCO1 269956a_100016091260_100000211543 [0,0,0,1,0,0|2,0,0]=3 6945 B12R1.252 O=C(O)CNCC1CCCOC1 269956a_100016091260_100000741521 [0,0,0,1,0,0|2,0,0]=3 6946 B12R1.252 O=C(O)CNCC1CCOCC1 269956a_100016091260_100000754603 [0,0,0,1,0,0|2,0,0]=3 6947 B12R1.252 O=C(O)CONC1CCCCC1 269956a_100000106656_100000210327 [0,0,0,1,0,0|2,0,0]=3 6948 B12R1.252 O=C(O)CONC1CCCOC1 269956a_100000106656_100000693364 [0,0,0,1,0,0|3,0,0]=4 6949 B12R1.252 O=C(O)CONC1CCOCC1 269956a_100000106656_100011324220 [0,0,0,1,0,0|3,0,0]=4 6950 B12R1.252 O=C(O)CONC1CCSCC1 269956a_100000106656_100000069128 [0,0,0,1,0,0|3,0,0]=4 6951 B12R1.252 O=C([O-])CNCC1CCCCC1 34a_100000210473_100020667443 [0,0,0,1,0,0|1,0,1]=3 6952 B12R1.252 O=C([O-])CNCC1CCCCO1 34a_100000174945_100020667443 [0,0,0,1,0,0|2,0,1]=4 6953 B12R1.252 O=C([O-])CNCC1CCCOC1 34a_100000720124_100020667443 [0,0,0,1,0,0|2,0,1]=4 6954 B12R1.252 O=C([O-])CNCC1CCOCC1 34a_100000746373_100020667443 [0,0,0,1,0,0|2,0,1]=4 6955 B12R1.252 O=C([O-])CNCC1CCSCC1 34a_100015188806_100020667443 [0,0,0,1,0,0|2,0,1]=4 6956 B12R1.252 O=C([O-])COCC1CCCCC1 34a_100000212181_100020667443 [0,0,0,1,0,0|1,0,1]=3 6957 B12R1.252 O=C([O-])COCC1CCCCN1 34a_100000210821_100020667443 [0,0,0,1,0,0|2,0,1]=4 6958 B12R1.252 O=C([O-])COCC1CCCCO1 34a_100000211370_100020667443 [0,0,0,1,0,0|2,0,1]=4 6959 B12R1.252 O=C([O-])COCC1CCCNC1 34a_100000211344_100020667443 [0,0,0,1,0,0|2,0,1]=4 6960 B12R1.252 O=C([O-])COCC1CCCOC1 34a_100000741520_100020667443 [0,0,0,1,0,0|2,0,1]=4 6961 B12R1.252 O=C([O-])COCC1CCNCC1 34a_100000738675_100020667443 [0,0,0,1,0,0|2,0,1]=4 6962 B12R1.252 O=C([O-])COCC1CCOCC1 34a_100000749013_100020667443 [0,0,0,1,0,0|2,0,1]=4 6963 B12R1.252 O=C([O-])COCC1CCSCC1 34a_100000070558_100020667443 [0,0,0,1,0,0|2,0,1]=4 6964 B12R1.252 O=C([O-])CSCC1CCCCC1 62a_100000211423_100020667443 [0,0,0,1,0,0|1,0,1]=3 6965 B12R1.252 O=C([O-])CSCC1CCCCC1 62a_100020667443_100000211423 [0,0,0,1,0,0|1,0,1]=3 6966 B12R1.252 O=C([O-])CSCC1CCCCO1 62a_100000211543_100020667443 [0,0,0,1,0,0|2,0,1]=4 6967 B12R1.252 O=C([O-])CSCC1CCCCO1 62a_100020667443_100000211543 [0,0,0,1,0,0|2,0,1]=4 6968 B12R1.252 O=C([O-])CSCC1CCCOC1 62a_100000741521_100020667443 [0,0,0,1,0,0|2,0,1]=4 6969 B12R1.252 O=C([O-])CSCC1CCCOC1 62a_100020667443_100000741521 [0,0,0,1,0,0|2,0,1]=4 6970 B12R1.252 O=C([O-])CSCC1CCOCC1 62a_100000754603_100020667443 [0,0,0,1,0,0|2,0,1]=4 6971 B12R1.252 O=C([O-])CSCC1CCOCC1 62a_100020667443_100000749018 [0,0,0,1,0,0|2,0,1]=4 6972 B12R1.252 O=[N+]([O-])CNCC1CCCCC1 34a_100000210473_100000761209 [0,0,0,1,0,0|2,0,1]=4 6973 B12R1.252 O=[N+]([O-])COCC1CCCCC1 34a_100000212181_100000761209 [0,0,0,1,0,0|2,0,1]=4 6974 B12R1.252 O=[N+]([O-])CSCC1CCCCC1 62a_100000211423_100000761209 [0,0,0,1,0,0|2,0,1]=4 6975 B12R1.252 [13CH3]C(=O)CCCC1CCCCC1 1458a_100000211478_200025704644 [0,0,0,1,0,0|1,0,0]=2 6976 B12R1.252 [13CH3]C(=O)CCCN1CCCCC1 1458a_100000742516_200025704644 [0,0,0,1,0,0|2,0,0]=3 6977 B12R1.252 [13CH3]C(=O)COCC1CCCCO1 1458a_100011223378_200025704644 [0,0,0,1,0,0|3,0,0]=4 6978 B12R1.255 C=C(Br)CCOCC1CCCC1 34a_100009813270_100000740388 [0,0,0,1,0,0|3,0,0]=4 6979 B12R1.255 C=C(C)CCNCC1CCCC1 2230a_100000737975_100000730704 [0,0,0,1,0,0|3,0,0]=4 6980 B12R1.255 C=C(C)CCNCC1CCCC1 34a_100000737975_100000730704 [0,0,0,1,0,0|3,0,0]=4 6981 B12R1.255 C=C(C)CCOCC1CCCC1 34a_100000742336_100000730704 [0,0,0,1,0,0|3,0,0]=4 6982 B12R1.255 C=C(C)CCOCC1CCCC1 34a_100000764851_100000740388 [0,0,0,1,0,0|3,0,0]=4 6983 B12R1.255 C=C(C)CCOCC1CCCC1 7a_100000742336_100000730704 [0,0,0,1,0,0|3,0,0]=4 6984 B12R1.255 C=C(C)CCSCC1CCCC1 62a_100000730704_100000740388 [0,0,0,1,0,0|3,0,0]=4 6985 B12R1.255 C=C(C)CCSCC1CCCC1 62a_100000740388_100000730704 [0,0,0,1,0,0|3,0,0]=4 6986 B12R1.255 C=C(C)CNCCC1CCCC1 2230a_100000739158_100000748629 [0,0,0,1,0,0|3,0,0]=4 6987 B12R1.255 C=C(C)CNCCC1CCCC1 34a_100000739158_100000748629 [0,0,0,1,0,0|3,0,0]=4 6988 B12R1.255 C=C(C)COCCC1CCCC1 34a_100000210245_100000760354 [0,0,0,1,0,0|3,0,0]=4 6989 B12R1.255 C=C(C)COCCC1CCCC1 34a_100000749090_100000748629 [0,0,0,1,0,0|3,0,0]=4 6990 B12R1.255 C=C(C)COCCC1CCCC1 7a_100000749090_100000748629 [0,0,0,1,0,0|3,0,0]=4 6991 B12R1.255 C=C(C)CSCCC1CCCC1 62a_100000748629_100000760354 [0,0,0,1,0,0|3,0,0]=4 6992 B12R1.255 C=C(C)CSCCC1CCCC1 62a_100000760354_100000211660 [0,0,0,1,0,0|3,0,0]=4 6993 B12R1.255 C=C(F)CNCCC1CCCC1 2230a_100000739158_100009893438 [0,0,0,1,0,0|3,0,0]=4 6994 B12R1.255 C=C(F)CNCCC1CCCC1 34a_100000739158_100009893438 [0,0,0,1,0,0|3,0,0]=4 6995 B12R1.255 C=C(F)COCCC1CCCC1 34a_100000749090_100009893438 [0,0,0,1,0,0|3,0,0]=4 6996 B12R1.255 C=C(F)COCCC1CCCC1 34a_200010262243_100000760354 [0,0,0,1,0,0|3,0,0]=4 6997 B12R1.255 C=C(F)COCCC1CCCC1 7a_100000749090_100000042424 [0,0,0,1,0,0|3,0,0]=4 6998 B12R1.255 C=C(F)CSCCC1CCCC1 62a_100000042424_100000760354 [0,0,0,1,0,0|3,0,0]=4 6999 B12R1.255 C=C(F)CSCCC1CCCC1 62a_100000760354_100000042424 [0,0,0,1,0,0|3,0,0]=4 7000 B12R1.255 CC(=O)CCCCC1OCCO1 1458a_100000070787_100000034956 [0,0,0,1,0,0|3,0,0]=4 7001 B12R1.255 CC(=O)CCCCN1CCCC1 269982a_100000188435_100000735457 [0,0,0,1,0,0|2,0,0]=3 7002 B12R1.255 CC(=O)CCCCN1CCSC1 269982a_100011215254_100000735457 [0,0,0,1,0,0|3,0,0]=4 7003 B12R1.255 CC(=O)CCCC[C@@H]1CCSS1 1458a_100009816572_200000210301 [0,0,0,1,0,0|3,0,0]=4 7004 B12R1.255 CC(=O)CCCNC1CCCC1 34a_100000211070_100000685027 [0,0,0,1,0,0|2,0,0]=3 7005 B12R1.255 CC(=O)CCCN[C@H]1CCOC1 34a_100015188467_100000685027 [0,0,0,1,0,0|3,0,0]=4 7006 B12R1.255 CC(=O)CCCOC1CCCC1 34a_100000210269_100000685027 [0,0,0,1,0,0|2,0,0]=3 7007 B12R1.255 CC(=O)CCCOC1CCCC1 34a_100000759063_100000179811 [0,0,0,1,0,0|2,0,0]=3 7008 B12R1.255 CC(=O)CCCOC1CCCC1 7a_100000210269_100011215641 [0,0,0,1,0,0|2,0,0]=3 7009 B12R1.255 CC(=O)CCCOC1CCCC1 7a_100000759063_100000179811 [0,0,0,1,0,0|2,0,0]=3 7010 B12R1.255 CC(=O)CCCOC1CCCO1 34a_100000085407_100000685027 [0,0,0,1,0,0|3,0,0]=4 7011 B12R1.255 CC(=O)CCCOC1CCOC1 34a_100000759063_100000690089 [0,0,0,1,0,0|3,0,0]=4 7012 B12R1.255 CC(=O)CCCOC1CCOC1 7a_100000759063_100000731011 [0,0,0,1,0,0|3,0,0]=4 7013 B12R1.255 CC(=O)CCCOC1CCSC1 7a_100011232664_100011215641 [0,0,0,1,0,0|3,0,0]=4 7014 B12R1.255 CC(=O)CCCO[C@H]1CCOC1 34a_100000717292_100000685027 [0,0,0,1,0,0|3,0,0]=4 7015 B12R1.255 CC(=O)CCCSC1CCCC1 62a_100011215641_100000179811 [0,0,0,1,0,0|2,0,0]=3 7016 B12R1.255 CC(=O)CCCSC1CCCC1 62a_100011217020_100011215641 [0,0,0,1,0,0|2,0,0]=3 7017 B12R1.255 CC(=O)CCCSC1CCOC1 62a_100011215641_100000690089 [0,0,0,1,0,0|3,0,0]=4 7018 B12R1.255 CC(=O)CCOCC1CCCC1 34a_100000759926_100000740388 [0,0,0,1,0,0|2,0,0]=3 7019 B12R1.255 CC(=O)CCOCC1CCCC1 7a_100000742336_100000053229 [0,0,0,1,0,0|2,0,0]=3 7020 B12R1.255 CC(=O)CCOCC1CCCC1 7a_100000759926_100000740388 [0,0,0,1,0,0|2,0,0]=3 7021 B12R1.255 CC(=O)CCOCC1CCCO1 7a_100000210270_100000053229 [0,0,0,1,0,0|3,0,0]=4 7022 B12R1.255 CC(=O)CCOCC1CCCO1 7a_100000759926_100000203698 [0,0,0,1,0,0|3,0,0]=4 7023 B12R1.255 CC(=O)CCOCC1CCOC1 34a_100000759926_100011261433 [0,0,0,1,0,0|3,0,0]=4 7024 B12R1.255 CC(=O)CCOCC1CCOC1 7a_100000759926_100000702531 [0,0,0,1,0,0|3,0,0]=4 7025 B12R1.255 CC(=O)CCSCC1CCCC1 62a_100000053229_100000740388 [0,0,0,1,0,0|2,0,0]=3 7026 B12R1.255 CC(=O)CCSCC1CCCC1 62a_100000740388_100000053229 [0,0,0,1,0,0|2,0,0]=3 7027 B12R1.255 CC(=O)CCSCC1CCCO1 62a_100000053229_100000203698 [0,0,0,1,0,0|3,0,0]=4 7028 B12R1.255 CC(=O)CCSCC1CCCO1 62a_100000203698_100000053229 [0,0,0,1,0,0|3,0,0]=4 7029 B12R1.255 CC(=O)CCSCC1CCOC1 62a_100000053229_100000702531 [0,0,0,1,0,0|3,0,0]=4 7030 B12R1.255 CC(=O)CCSCC1CCOC1 62a_100000702531_100000053229 [0,0,0,1,0,0|3,0,0]=4 7031 B12R1.255 CC(=O)COCCC1CCCC1 34a_100000211253_100000760354 [0,0,0,1,0,0|2,0,0]=3 7032 B12R1.255 CC(=O)CSCCN1CCCC1 1458a_200015187850_200000210301 [0,0,0,1,0,0|3,0,0]=4 7033 B12R1.255 CC(=O)NCCCC1CCCC1 11a_100000736752_100015343762 [0,0,0,1,0,0|2,0,0]=3 7034 B12R1.255 CC(=O)NCCCC1CCCC1 1626a_100000736752_100015343762 [0,0,0,1,0,0|2,0,0]=3 7035 B12R1.255 CC(=O)NCCCC1CCCC1 240690a_100000736752_100015343762 [0,0,0,1,0,0|2,0,0]=3 7036 B12R1.255 CC(=O)NCCCC1CCCC1 527a_100000736752_100103153847 [0,0,0,1,0,0|2,0,0]=3 7037 B12R1.255 CC(=O)NCCCN1CCCC1 240690a_100000204695_100015343762 [0,0,0,1,0,0|3,0,0]=4 7038 B12R1.255 CC(=O)NCCNC1CCCC1 2230a_100000209853_100000179811 [0,0,0,1,0,0|3,0,0]=4 7039 B12R1.255 CC(=O)NCCNC1CCCC1 2230a_100000211070_100000189650 [0,0,0,1,0,0|3,0,0]=4 7040 B12R1.255 CC(=O)NCCOC1CCCC1 11a_100000741755_100015343762 [0,0,0,1,0,0|3,0,0]=4 7041 B12R1.255 CC(=O)NCCOC1CCCC1 1626a_100000741755_100015343762 [0,0,0,1,0,0|3,0,0]=4 7042 B12R1.255 CC(=O)NCCOC1CCCC1 240690a_100000741755_100015343762 [0,0,0,1,0,0|3,0,0]=4 7043 B12R1.255 CC(=O)NCCOC1CCCC1 34a_100000158858_100000179811 [0,0,0,1,0,0|3,0,0]=4 7044 B12R1.255 CC(=O)NCCOC1CCCC1 527a_100000741755_100103153847 [0,0,0,1,0,0|3,0,0]=4 7045 B12R1.255 CC(=O)NCCOC1CCCC1 7a_100000210269_100000189650 [0,0,0,1,0,0|3,0,0]=4 7046 B12R1.255 CC(=O)NCCSC1CCCC1 62a_100000189650_100000179811 [0,0,0,1,0,0|3,0,0]=4 7047 B12R1.255 CC(=O)NCCSC1CCCC1 62a_100011217020_100000189650 [0,0,0,1,0,0|3,0,0]=4 7048 B12R1.255 CC(=O)OCCCN1CCCC1 269982a_100000188435_100000042594 [0,0,0,1,0,0|3,0,0]=4 7049 B12R1.255 CC(=O)OCCNC1CCCC1 34a_100000211070_100009814007 [0,0,0,1,0,0|3,0,0]=4 7050 B12R1.255 CC(=O)OCCOC1CCCC1 34a_100000210269_100009814007 [0,0,0,1,0,0|3,0,0]=4 7051 B12R1.255 CC(=O)OCCOC1CCCC1 7a_100000210269_100009814007 [0,0,0,1,0,0|3,0,0]=4 7052 B12R1.255 CC(=O)OCCSC1CCCC1 62a_100009814007_100000179811 [0,0,0,1,0,0|3,0,0]=4 7053 B12R1.255 CC(=O)OCCSC1CCCC1 62a_100011217020_100009814007 [0,0,0,1,0,0|3,0,0]=4 7054 B12R1.255 CC(=O)OCNCC1CCCC1 34a_100000737975_100009813279 [0,0,0,1,0,0|3,0,0]=4 7055 B12R1.255 CC(=O)OCOCC1CCCC1 34a_100000742336_100009813279 [0,0,0,1,0,0|3,0,0]=4 7056 B12R1.255 CC(=O)OCSCC1CCCC1 62a_100000076356_100000740388 [0,0,0,1,0,0|3,0,0]=4 7057 B12R1.255 CC(=O)OCSCC1CCCC1 62a_100000740388_100000076356 [0,0,0,1,0,0|3,0,0]=4 7058 B12R1.255 CC(=O)SCCCN1CCCC1 2230a_100000188435_100000038929 [0,0,0,1,0,0|3,0,0]=4 7059 B12R1.255 CC(=O)SCCCN1CCCC1 269982a_100000188435_100000038929 [0,0,0,1,0,0|3,0,0]=4 7060 B12R1.255 CC(O)CCCNC1CCCC1 2230a_100000211070_200000718107 [0,0,0,1,0,0|2,0,1]=4 7061 B12R1.255 CC(O)CCCNC1CCCC1 34a_100000211070_200000718107 [0,0,0,1,0,0|2,0,1]=4 7062 B12R1.255 CC(O)CCCOC1CCCC1 34a_100000210269_200000718107 [0,0,0,1,0,0|2,0,1]=4 7063 B12R1.255 CC(O)CCCOC1CCCC1 7a_100000210269_200000718107 [0,0,0,1,0,0|2,0,1]=4 7064 B12R1.255 CC(O)CCCSC1CCCC1 62a_100011217020_200000718107 [0,0,0,1,0,0|2,0,1]=4 7065 B12R1.255 CC(O)CCCSC1CCCC1 62a_200000718107_100000179811 [0,0,0,1,0,0|2,0,1]=4 7066 B12R1.255 CC(O)CCNCC1CCCC1 2230a_100000737975_100012276601 [0,0,0,1,0,0|2,0,1]=4 7067 B12R1.255 CC(O)CCNCC1CCCC1 2230a_200000755665_100000740388 [0,0,0,1,0,0|2,0,1]=4 7068 B12R1.255 CC(O)CCNCC1CCCC1 269862a_200000755665_100000746403 [0,0,0,1,0,0|2,0,1]=4 7069 B12R1.255 CC(O)CCNCC1CCCC1 34a_100000737975_100012276601 [0,0,0,1,0,0|2,0,1]=4 7070 B12R1.255 CC(O)CCOCC1CCCC1 34a_100000742336_100012276601 [0,0,0,1,0,0|2,0,1]=4 7071 B12R1.255 CC(O)CCOCC1CCCC1 7a_100000742336_100012276601 [0,0,0,1,0,0|2,0,1]=4 7072 B12R1.255 CC(O)CCSCC1CCCC1 62a_100000740388_100012276601 [0,0,0,1,0,0|2,0,1]=4 7073 B12R1.255 CC(O)CCSCC1CCCC1 62a_100012276601_100000740388 [0,0,0,1,0,0|2,0,1]=4 7074 B12R1.255 CC(O)CNCCC1CCCC1 2230a_100000210904_100000760354 [0,0,0,1,0,0|2,0,1]=4 7075 B12R1.255 CC(O)CNCCC1CCCC1 2230a_100000739158_100011218427 [0,0,0,1,0,0|2,0,1]=4 7076 B12R1.255 CC(O)CNCCC1CCCC1 34a_100000210904_100000760354 [0,0,0,1,0,0|2,0,1]=4 7077 B12R1.255 CC(O)CNCCC1CCCC1 34a_100000739158_100011218427 [0,0,0,1,0,0|2,0,1]=4 7078 B12R1.255 CC(O)COCCC1CCCC1 34a_100000749090_100011218427 [0,0,0,1,0,0|2,0,1]=4 7079 B12R1.255 CC(O)COCCC1CCCC1 7a_100000749090_100011218427 [0,0,0,1,0,0|2,0,1]=4 7080 B12R1.255 CC(O)CSCCC1CCCC1 62a_100000760354_100011218427 [0,0,0,1,0,0|2,0,1]=4 7081 B12R1.255 CC(O)CSCCC1CCCC1 62a_100011218427_100000760354 [0,0,0,1,0,0|2,0,1]=4 7082 B12R1.255 CS(=O)CCCNC1CCCC1 2230a_200000753449_100000179811 [0,0,0,1,0,0|3,0,0]=4 7083 B12R1.255 CS(=O)CCCNC1CCCC1 270004a_200000753449_100000210133 [0,0,0,1,0,0|3,0,0]=4 7084 B12R1.255 C[C@@H](O)CNCCC1CCCC1 2230a_100000739158_100009817552 [0,0,0,1,0,0|2,0,1]=4 7085 B12R1.255 C[C@@H](O)CNCCC1CCCC1 34a_100000739158_100009817552 [0,0,0,1,0,0|2,0,1]=4 7086 B12R1.255 C[C@@H](O)COCCC1CCCC1 34a_100000749090_100009817552 [0,0,0,1,0,0|2,0,1]=4 7087 B12R1.255 C[C@@H](O)COCCC1CCCC1 7a_100000749090_100009817552 [0,0,0,1,0,0|2,0,1]=4 7088 B12R1.255 C[C@@H](O)CSCCC1CCCC1 62a_100000760354_100009817552 [0,0,0,1,0,0|2,0,1]=4 7089 B12R1.255 C[C@@H](O)CSCCC1CCCC1 62a_100009817552_100000760354 [0,0,0,1,0,0|2,0,1]=4 7090 B12R1.255 NC(=O)CCCNC1CCCC1 34a_100000211070_100102525003 [0,0,0,1,0,0|2,0,0]=3 7091 B12R1.255 NC(=O)CCCNC1CCCC1 34a_100000739312_100000179811 [0,0,0,1,0,0|2,0,0]=3 7092 B12R1.255 NC(=O)CCCNC1CCOC1 34a_100000739312_100000690089 [0,0,0,1,0,0|3,0,0]=4 7093 B12R1.255 NC(=O)CCCN[C@H]1CCOC1 34a_100015188467_100102525003 [0,0,0,1,0,0|3,0,0]=4 7094 B12R1.255 NC(=O)CCCOC1CCCC1 34a_100000210269_100102525003 [0,0,0,1,0,0|2,0,0]=3 7095 B12R1.255 NC(=O)CCCOC1CCCC1 7a_100000210269_100102525003 [0,0,0,1,0,0|2,0,0]=3 7096 B12R1.255 NC(=O)CCCOC1CCCO1 34a_100000085407_100102525003 [0,0,0,1,0,0|3,0,0]=4 7097 B12R1.255 NC(=O)CCCOC1CCSC1 7a_100011232664_100102525003 [0,0,0,1,0,0|3,0,0]=4 7098 B12R1.255 NC(=O)CCCO[C@H]1CCOC1 34a_100000717292_100102525003 [0,0,0,1,0,0|3,0,0]=4 7099 B12R1.255 NC(=O)CCCSC1CCCC1 62a_100011217020_100102525003 [0,0,0,1,0,0|2,0,0]=3 7100 B12R1.255 NC(=O)CCCSC1CCCC1 62a_100102525003_100000179811 [0,0,0,1,0,0|2,0,0]=3 7101 B12R1.255 NC(=O)CCCSC1CCOC1 62a_100102525003_100000690089 [0,0,0,1,0,0|3,0,0]=4 7102 B12R1.255 NC(=O)CCNCC1CCCC1 2230a_100000737975_100000744528 [0,0,0,1,0,0|2,0,0]=3 7103 B12R1.255 NC(=O)CCNCC1CCCC1 269862a_100000740010_100000746403 [0,0,0,1,0,0|2,0,0]=3 7104 B12R1.255 NC(=O)CCNCC1CCCC1 34a_100000737975_100000731001 [0,0,0,1,0,0|2,0,0]=3 7105 B12R1.255 NC(=O)CCNCC1CCOC1 2230a_100000737293_100000744528 [0,0,0,1,0,0|3,0,0]=4 7106 B12R1.255 NC(=O)CCNCC1CCOC1 34a_100000737293_100000731001 [0,0,0,1,0,0|3,0,0]=4 7107 B12R1.255 NC(=O)CCNC[C@@H]1CCCO1 2230a_100020590478_100000744528 [0,0,0,1,0,0|3,0,0]=4 7108 B12R1.255 NC(=O)CCNC[C@@H]1CCCO1 34a_100020590478_100000731001 [0,0,0,1,0,0|3,0,0]=4 7109 B12R1.255 NC(=O)CCOCC1CCCC1 34a_100000742336_100000731001 [0,0,0,1,0,0|2,0,0]=3 7110 B12R1.255 NC(=O)CCOCC1CCCC1 34a_100000757172_100000740388 [0,0,0,1,0,0|2,0,0]=3 7111 B12R1.255 NC(=O)CCOCC1CCCC1 7a_100000742336_100000744528 [0,0,0,1,0,0|2,0,0]=3 7112 B12R1.255 NC(=O)CCOCC1CCCC1 7a_100000757172_100000740388 [0,0,0,1,0,0|2,0,0]=3 7113 B12R1.255 NC(=O)CCOCC1CCCO1 34a_100000210270_100000731001 [0,0,0,1,0,0|3,0,0]=4 7114 B12R1.255 NC(=O)CCOCC1CCCO1 7a_100000210270_100000744528 [0,0,0,1,0,0|3,0,0]=4 7115 B12R1.255 NC(=O)CCOCC1CCCO1 7a_100000757172_100000203698 [0,0,0,1,0,0|3,0,0]=4 7116 B12R1.255 NC(=O)CCOCC1CCNC1 34a_100000748654_100000731001 [0,0,0,1,0,0|3,0,0]=4 7117 B12R1.255 NC(=O)CCOCC1CCOC1 34a_100000740260_100000731001 [0,0,0,1,0,0|3,0,0]=4 7118 B12R1.255 NC(=O)CCOCC1CCOC1 34a_100000757172_100011261433 [0,0,0,1,0,0|3,0,0]=4 7119 B12R1.255 NC(=O)CCOCC1CCOC1 7a_100000757172_100000702531 [0,0,0,1,0,0|3,0,0]=4 7120 B12R1.255 NC(=O)CCOC[C@H]1CCCN1 34a_100000745186_100000731001 [0,0,0,1,0,0|3,0,0]=4 7121 B12R1.255 NC(=O)CCSCC1CCCC1 62a_100000740388_100000744528 [0,0,0,1,0,0|2,0,0]=3 7122 B12R1.255 NC(=O)CCSCC1CCCC1 62a_100000744528_100000740388 [0,0,0,1,0,0|2,0,0]=3 7123 B12R1.255 NC(=O)CCSCC1CCCO1 62a_100000203698_100000744528 [0,0,0,1,0,0|3,0,0]=4 7124 B12R1.255 NC(=O)CCSCC1CCCO1 62a_100000744528_100000203698 [0,0,0,1,0,0|3,0,0]=4 7125 B12R1.255 NC(=O)CCSCC1CCOC1 62a_100000702531_100000744528 [0,0,0,1,0,0|3,0,0]=4 7126 B12R1.255 NC(=O)CCSCC1CCOC1 62a_100000744528_100000702531 [0,0,0,1,0,0|3,0,0]=4 7127 B12R1.255 NC(=O)CNCCC1CCCC1 2230a_100000711301_100000760354 [0,0,0,1,0,0|2,0,0]=3 7128 B12R1.255 NC(=O)CNCCC1CCCC1 2230a_100000739158_100000747473 [0,0,0,1,0,0|2,0,0]=3 7129 B12R1.255 NC(=O)CNCCC1CCCC1 34a_100000739158_100000187820 [0,0,0,1,0,0|2,0,0]=3 7130 B12R1.255 NC(=O)COCCC1CCCC1 34a_100000749090_100000187820 [0,0,0,1,0,0|2,0,0]=3 7131 B12R1.255 NC(=O)COCCC1CCCC1 7a_100000749090_100000187820 [0,0,0,1,0,0|2,0,0]=3 7132 B12R1.255 NC(=O)COCCC1CCNC1 34a_100016987287_100000187820 [0,0,0,1,0,0|3,0,0]=4 7133 B12R1.255 NC(=O)COCCC1CCOC1 34a_100011879284_100000187820 [0,0,0,1,0,0|3,0,0]=4 7134 B12R1.255 NC(=O)COCCN1CCCC1 2230a_100000188435_100000076697 [0,0,0,1,0,0|3,0,0]=4 7135 B12R1.255 NC(=O)COCCN1CCCC1 269982a_100000188435_100000076697 [0,0,0,1,0,0|3,0,0]=4 7136 B12R1.255 NC(=O)CSCCC1CCCC1 62a_100000747473_100000760354 [0,0,0,1,0,0|2,0,0]=3 7137 B12R1.255 NC(=O)CSCCC1CCCC1 62a_100000760354_100000747473 [0,0,0,1,0,0|2,0,0]=3 7138 B12R1.255 NC(=O)CSCCN1CCCC1 62a_100000700749_100000747473 [0,0,0,1,0,0|3,0,0]=4 7139 B12R1.255 NC(=O)CSCCN1CCCC1 62a_100000747473_100000004467 [0,0,0,1,0,0|3,0,0]=4 7140 B12R1.255 NC(=O)NCCNC1CCCC1 2230a_100000211070_200000034859 [0,0,0,1,0,0|3,0,0]=4 7141 B12R1.255 NC(=O)NCCNC1CCCC1 34a_100020590234_100000179811 [0,0,0,1,0,0|3,0,0]=4 7142 B12R1.255 NC(=O)NCCOC1CCCC1 34a_100000181757_100000179811 [0,0,0,1,0,0|3,0,0]=4 7143 B12R1.255 NC(=O)NCCOC1CCCC1 7a_100000210269_200000034859 [0,0,0,1,0,0|3,0,0]=4 7144 B12R1.255 NC(=O)NCCSC1CCCC1 62a_100011217020_200000034859 [0,0,0,1,0,0|3,0,0]=4 7145 B12R1.255 NC(=O)NCCSC1CCCC1 62a_200000034859_100000179811 [0,0,0,1,0,0|3,0,0]=4 7146 B12R1.255 NC(=O)OCCNC1CCCC1 34a_100000211070_200011214921 [0,0,0,1,0,0|3,0,0]=4 7147 B12R1.255 NC(=O)OCCOC1CCCC1 34a_100000210269_200011214921 [0,0,0,1,0,0|3,0,0]=4 7148 B12R1.255 NC(=O)OCCOC1CCCC1 7a_100000210269_200011214921 [0,0,0,1,0,0|3,0,0]=4 7149 B12R1.255 NC(=O)OCCOC1CCCC1 7a_100000766696_100000179811 [0,0,0,1,0,0|3,0,0]=4 7150 B12R1.255 NC(=O)OCCSC1CCCC1 62a_100011217020_200011214921 [0,0,0,1,0,0|3,0,0]=4 7151 B12R1.255 NC(=O)OCCSC1CCCC1 62a_200011214921_100000179811 [0,0,0,1,0,0|3,0,0]=4 7152 B12R1.255 O=C(O)CNCCC1CCCC1 269956a_100016091260_100000760354 [0,0,0,1,0,0|1,0,0]=2 7153 B12R1.255 O=C(O)CNCCC1OCCO1 269956a_100016091260_100000740749 [0,0,0,1,0,0|3,0,0]=4 7154 B12R1.255 O=C(O)CNCCN1CCCC1 269956a_100016091260_100000004467 [0,0,0,1,0,0|2,0,0]=3 7155 B12R1.255 O=C(O)CONCC1CCCC1 269956a_100000106656_100000740388 [0,0,0,1,0,0|2,0,0]=3 7156 B12R1.255 O=C(O)CONCC1CCCO1 269956a_100000106656_100000183445 [0,0,0,1,0,0|3,0,0]=4 7157 B12R1.255 O=C(O)CONCC1CCOC1 269956a_100000106656_100011261433 [0,0,0,1,0,0|3,0,0]=4 7158 B12R1.255 O=C([O-])CNCCC1CCCC1 34a_100000739158_100020667443 [0,0,0,1,0,0|1,0,1]=3 7159 B12R1.255 O=C([O-])COCCC1CCCC1 34a_100000749090_100020667443 [0,0,0,1,0,0|1,0,1]=3 7160 B12R1.255 O=C([O-])COCCC1CCNC1 34a_100016987287_100020667443 [0,0,0,1,0,0|2,0,1]=4 7161 B12R1.255 O=C([O-])COCCC1CCOC1 34a_100011879284_100020667443 [0,0,0,1,0,0|2,0,1]=4 7162 B12R1.255 O=C([O-])CSCCC1CCCC1 62a_100000760354_100020667443 [0,0,0,1,0,0|1,0,1]=3 7163 B12R1.255 O=C([O-])CSCCC1CCCC1 62a_100020667443_100000760354 [0,0,0,1,0,0|1,0,1]=3 7164 B12R1.255 O=C([O-])CSCCN1CCCC1 62a_100000700749_100020667443 [0,0,0,1,0,0|2,0,1]=4 7165 B12R1.255 O=C([O-])CSCCN1CCCC1 62a_100020667443_100000004467 [0,0,0,1,0,0|2,0,1]=4 7166 B12R1.255 O=[N+]([O-])CCCOC1CCCC1 34a_200000037920_100000179811 [0,0,0,1,0,0|2,0,1]=4 7167 B12R1.255 O=[N+]([O-])CNCCC1CCCC1 34a_100000739158_100000761209 [0,0,0,1,0,0|2,0,1]=4 7168 B12R1.255 O=[N+]([O-])COCCC1CCCC1 34a_100000749090_100000761209 [0,0,0,1,0,0|2,0,1]=4 7169 B12R1.255 O=[N+]([O-])CSCCC1CCCC1 62a_100000760354_100000761209 [0,0,0,1,0,0|2,0,1]=4 7170 B12R1.255 OB(O)CCCCN1CCCC1 2230a_100000188435_200009817182 [0,0,0,1,0,0|2,0,1]=4 7171 B12R1.255 OB(O)CCCCN1CCCC1 269982a_100000188435_200009817182 [0,0,0,1,0,0|2,0,1]=4 7172 B12R1.255 [13CH3]C(=O)CCCC[C@@H]1CCSS1 1458a_100009816572_200025704644 [0,0,0,1,0,0|3,0,0]=4 7173 B12R1.255 [13CH3]C(=O)CSCCN1CCCC1 1458a_200015187850_200025704644 [0,0,0,1,0,0|3,0,0]=4 7174 B12R1.257 CC(=O)CCCCNC1CCC1 34a_100000749019_100009817362 [0,0,0,1,0,0|2,0,0]=3 7175 B12R1.257 CC(=O)CCCCOC1CCC1 34a_100000748187_100009817362 [0,0,0,1,0,0|2,0,0]=3 7176 B12R1.257 CC(=O)CCCCOC1CSC1 7a_100000072292_100000735457 [0,0,0,1,0,0|3,0,0]=4 7177 B12R1.257 CC(=O)CCCCSC1CCC1 62a_100000735457_100000749161 [0,0,0,1,0,0|2,0,0]=3 7178 B12R1.257 CC(=O)CCCCSC1COC1 62a_100000735457_100009818527 [0,0,0,1,0,0|3,0,0]=4 7179 B12R1.257 CC(=O)CCCNCC1CCC1 34a_100000738700_100000685027 [0,0,0,1,0,0|2,0,0]=3 7180 B12R1.257 CC(=O)CCCNCC1COC1 34a_100015281925_100000685027 [0,0,0,1,0,0|3,0,0]=4 7181 B12R1.257 CC(=O)CCCNC[C@@H]1CCO1 34a_100020831831_100000685027 [0,0,0,1,0,0|3,0,0]=4 7182 B12R1.257 CC(=O)CCCOCC1CCC1 34a_100000759063_100000763275 [0,0,0,1,0,0|2,0,0]=3 7183 B12R1.257 CC(=O)CCCOCC1CCC1 34a_100000760304_100000685027 [0,0,0,1,0,0|2,0,0]=3 7184 B12R1.257 CC(=O)CCCOCC1CCC1 7a_100000759063_100000763275 [0,0,0,1,0,0|2,0,0]=3 7185 B12R1.257 CC(=O)CCCOCC1CCO1 34a_100000039022_100000685027 [0,0,0,1,0,0|3,0,0]=4 7186 B12R1.257 CC(=O)CCCOCC1CCO1 34a_100000759063_100000103362 [0,0,0,1,0,0|3,0,0]=4 7187 B12R1.257 CC(=O)CCCOCC1CCO1 7a_100000759063_100000103362 [0,0,0,1,0,0|3,0,0]=4 7188 B12R1.257 CC(=O)CCCOCC1CNC1 34a_100016987283_100000685027 [0,0,0,1,0,0|3,0,0]=4 7189 B12R1.257 CC(=O)CCCOCC1COC1 34a_100000060846_100000685027 [0,0,0,1,0,0|3,0,0]=4 7190 B12R1.257 CC(=O)CCCOCC1COC1 34a_100000759063_100010264016 [0,0,0,1,0,0|3,0,0]=4 7191 B12R1.257 CC(=O)CCCOCC1COC1 7a_100000759063_100010264016 [0,0,0,1,0,0|3,0,0]=4 7192 B12R1.257 CC(=O)CCCSCC1CCC1 62a_100000763275_100011215641 [0,0,0,1,0,0|2,0,0]=3 7193 B12R1.257 CC(=O)CCCSCC1CCC1 62a_100011215641_100000763275 [0,0,0,1,0,0|2,0,0]=3 7194 B12R1.257 CC(=O)CCCSCC1CCO1 62a_100000103362_100011215641 [0,0,0,1,0,0|3,0,0]=4 7195 B12R1.257 CC(=O)CCCSCC1CCO1 62a_100011215641_100000103362 [0,0,0,1,0,0|3,0,0]=4 7196 B12R1.257 CC(=O)CCCSCC1COC1 62a_100010264016_100011215641 [0,0,0,1,0,0|3,0,0]=4 7197 B12R1.257 CC(=O)CCCSCC1COC1 62a_100011215641_100010264016 [0,0,0,1,0,0|3,0,0]=4 7198 B12R1.257 CC(=O)NCCCNC1CCC1 270004a_100000736810_100000241760 [0,0,0,1,0,0|3,0,0]=4 7199 B12R1.257 CC(=O)NCCCNC1CCC1 34a_100000736810_100000749161 [0,0,0,1,0,0|3,0,0]=4 7200 B12R1.257 CC(=O)NCCCOC1CCC1 34a_100000752032_100000749161 [0,0,0,1,0,0|3,0,0]=4 7201 B12R1.257 CC(=O)NCCNCC1CCC1 2230a_100000209853_100000763275 [0,0,0,1,0,0|3,0,0]=4 7202 B12R1.257 CC(=O)NCCNCC1CCC1 2230a_100000738700_100000189650 [0,0,0,1,0,0|3,0,0]=4 7203 B12R1.257 CC(=O)NCCNCC1CCC1 269862a_100000209853_100000753134 [0,0,0,1,0,0|3,0,0]=4 7204 B12R1.257 CC(=O)NCCOCC1CCC1 34a_100000158858_100000763275 [0,0,0,1,0,0|3,0,0]=4 7205 B12R1.257 CC(=O)NCCSCC1CCC1 62a_100000189650_100000763275 [0,0,0,1,0,0|3,0,0]=4 7206 B12R1.257 CC(=O)NCCSCC1CCC1 62a_100000763275_100000189650 [0,0,0,1,0,0|3,0,0]=4 7207 B12R1.257 CC(=O)OCCCCN1CCC1 269982a_100000754969_100000033659 [0,0,0,1,0,0|3,0,0]=4 7208 B12R1.257 CC(=O)OCCCNC1CCC1 34a_100000749019_100000042594 [0,0,0,1,0,0|3,0,0]=4 7209 B12R1.257 CC(=O)OCCCOC1CCC1 34a_100000748187_100000042594 [0,0,0,1,0,0|3,0,0]=4 7210 B12R1.257 CC(=O)OCCCSC1CCC1 62a_100000042594_100000749161 [0,0,0,1,0,0|3,0,0]=4 7211 B12R1.257 CC(=O)OCCNCC1CCC1 34a_100000738700_100009814007 [0,0,0,1,0,0|3,0,0]=4 7212 B12R1.257 CC(=O)OCCOCC1CCC1 34a_100000760304_100009814007 [0,0,0,1,0,0|3,0,0]=4 7213 B12R1.257 CC(=O)OCCSCC1CCC1 62a_100000763275_100009814007 [0,0,0,1,0,0|3,0,0]=4 7214 B12R1.257 CC(=O)OCCSCC1CCC1 62a_100009814007_100000763275 [0,0,0,1,0,0|3,0,0]=4 7215 B12R1.257 CC(=O)SCCCCN1CCC1 269982a_100000754969_200010402107 [0,0,0,1,0,0|3,0,0]=4 7216 B12R1.257 CC(=O)SCCCNC1CCC1 2230a_100000749019_100000038929 [0,0,0,1,0,0|3,0,0]=4 7217 B12R1.257 CC(=O)SCCCNC1CCC1 34a_100000749019_100000038929 [0,0,0,1,0,0|3,0,0]=4 7218 B12R1.257 CC(=O)SCCCOC1CCC1 34a_100000748187_100000038929 [0,0,0,1,0,0|3,0,0]=4 7219 B12R1.257 CC(=O)SCCCSC1CCC1 62a_100000038929_100000749161 [0,0,0,1,0,0|3,0,0]=4 7220 B12R1.257 CC(=O)SCCNCC1CCC1 269862a_100020647217_100000753134 [0,0,0,1,0,0|3,0,0]=4 7221 B12R1.257 CC(O)CCCNCC1CCC1 2230a_100000738700_200000718107 [0,0,0,1,0,0|2,0,1]=4 7222 B12R1.257 CC(O)CCCNCC1CCC1 34a_100000738700_200000718107 [0,0,0,1,0,0|2,0,1]=4 7223 B12R1.257 CC(O)CCCOCC1CCC1 34a_100000760304_200000718107 [0,0,0,1,0,0|2,0,1]=4 7224 B12R1.257 CC(O)CCCSCC1CCC1 62a_100000763275_200000718107 [0,0,0,1,0,0|2,0,1]=4 7225 B12R1.257 CC(O)CCCSCC1CCC1 62a_200000718107_100000763275 [0,0,0,1,0,0|2,0,1]=4 7226 B12R1.257 CS(=O)CCCNCC1CCC1 2230a_200000753449_100000763275 [0,0,0,1,0,0|3,0,0]=4 7227 B12R1.257 NC(=O)CCCCCN1CCC1 269982a_100000754969_100009817443 [0,0,0,1,0,0|2,0,0]=3 7228 B12R1.257 NC(=O)CCCCNC1CCC1 270004a_100000696515_100000241760 [0,0,0,1,0,0|2,0,0]=3 7229 B12R1.257 NC(=O)CCCCNC1CCC1 34a_100000696515_100000749161 [0,0,0,1,0,0|2,0,0]=3 7230 B12R1.257 NC(=O)CCCCNC1COC1 34a_100000696515_100009818527 [0,0,0,1,0,0|3,0,0]=4 7231 B12R1.257 NC(=O)CCCCOC1CCC1 34a_100012022536_100000749161 [0,0,0,1,0,0|2,0,0]=3 7232 B12R1.257 NC(=O)CCCCOC1COC1 34a_100012022536_100009818527 [0,0,0,1,0,0|3,0,0]=4 7233 B12R1.257 NC(=O)CCCCOC1COC1 7a_100012022536_100009818527 [0,0,0,1,0,0|3,0,0]=4 7234 B12R1.257 NC(=O)CCCNCC1CCC1 269862a_100000739312_100000753134 [0,0,0,1,0,0|2,0,0]=3 7235 B12R1.257 NC(=O)CCCNCC1CCC1 34a_100000738700_100102525003 [0,0,0,1,0,0|2,0,0]=3 7236 B12R1.257 NC(=O)CCCNCC1CCC1 34a_100000739312_100000763275 [0,0,0,1,0,0|2,0,0]=3 7237 B12R1.257 NC(=O)CCCNCC1CCO1 34a_100000739312_100000103362 [0,0,0,1,0,0|3,0,0]=4 7238 B12R1.257 NC(=O)CCCNCC1COC1 34a_100000739312_100010264016 [0,0,0,1,0,0|3,0,0]=4 7239 B12R1.257 NC(=O)CCCNCC1COC1 34a_100015281925_100102525003 [0,0,0,1,0,0|3,0,0]=4 7240 B12R1.257 NC(=O)CCCNC[C@@H]1CCO1 34a_100020831831_100102525003 [0,0,0,1,0,0|3,0,0]=4 7241 B12R1.257 NC(=O)CCCOCC1CCC1 34a_100000760304_100102525003 [0,0,0,1,0,0|2,0,0]=3 7242 B12R1.257 NC(=O)CCCOCC1CCO1 34a_100000039022_100102525003 [0,0,0,1,0,0|3,0,0]=4 7243 B12R1.257 NC(=O)CCCOCC1CNC1 34a_100016987283_100102525003 [0,0,0,1,0,0|3,0,0]=4 7244 B12R1.257 NC(=O)CCCOCC1COC1 34a_100000060846_100102525003 [0,0,0,1,0,0|3,0,0]=4 7245 B12R1.257 NC(=O)CCCSCC1CCC1 62a_100000763275_100102525003 [0,0,0,1,0,0|2,0,0]=3 7246 B12R1.257 NC(=O)CCCSCC1CCC1 62a_100102525003_100000763275 [0,0,0,1,0,0|2,0,0]=3 7247 B12R1.257 NC(=O)CCCSCC1CCO1 62a_100000103362_100102525003 [0,0,0,1,0,0|3,0,0]=4 7248 B12R1.257 NC(=O)CCCSCC1CCO1 62a_100102525003_100000103362 [0,0,0,1,0,0|3,0,0]=4 7249 B12R1.257 NC(=O)CCCSCC1COC1 62a_100010264016_100102525003 [0,0,0,1,0,0|3,0,0]=4 7250 B12R1.257 NC(=O)CCCSCC1COC1 62a_100102525003_100010264016 [0,0,0,1,0,0|3,0,0]=4 7251 B12R1.257 NC(=O)CCOCCC1COC1 34a_100009855314_100000731001 [0,0,0,1,0,0|3,0,0]=4 7252 B12R1.257 NC(=O)COCCNC1CCC1 2230a_100000749019_100000076697 [0,0,0,1,0,0|3,0,0]=4 7253 B12R1.257 NC(=O)COCCNC1CCC1 34a_100000749019_100000076697 [0,0,0,1,0,0|3,0,0]=4 7254 B12R1.257 NC(=O)COCCOC1CCC1 34a_100000748187_100000076697 [0,0,0,1,0,0|3,0,0]=4 7255 B12R1.257 NC(=O)COCCSC1CCC1 62a_100000076697_100000749161 [0,0,0,1,0,0|3,0,0]=4 7256 B12R1.257 NC(=O)NCCNCC1CCC1 2230a_100000738700_200000034859 [0,0,0,1,0,0|3,0,0]=4 7257 B12R1.257 NC(=O)NCCNCC1CCC1 269862a_100020590234_100000753134 [0,0,0,1,0,0|3,0,0]=4 7258 B12R1.257 NC(=O)NCCNCC1CCC1 34a_100020590234_100000763275 [0,0,0,1,0,0|3,0,0]=4 7259 B12R1.257 NC(=O)NCCOCC1CCC1 34a_100000181757_100000763275 [0,0,0,1,0,0|3,0,0]=4 7260 B12R1.257 NC(=O)NCCSCC1CCC1 62a_100000763275_200000034859 [0,0,0,1,0,0|3,0,0]=4 7261 B12R1.257 NC(=O)NCCSCC1CCC1 62a_200000034859_100000763275 [0,0,0,1,0,0|3,0,0]=4 7262 B12R1.257 NC(=O)OCCNCC1CCC1 34a_100000738700_200011214921 [0,0,0,1,0,0|3,0,0]=4 7263 B12R1.257 NC(=O)OCCOCC1CCC1 34a_100000760304_200011214921 [0,0,0,1,0,0|3,0,0]=4 7264 B12R1.257 NC(=O)OCCOCC1CCC1 7a_100000766696_100000763275 [0,0,0,1,0,0|3,0,0]=4 7265 B12R1.257 NC(=O)OCCSCC1CCC1 62a_100000763275_200011214921 [0,0,0,1,0,0|3,0,0]=4 7266 B12R1.257 NC(=O)OCCSCC1CCC1 62a_200011214921_100000763275 [0,0,0,1,0,0|3,0,0]=4 7267 B12R1.257 O=C(O)COCCNC1CCC1 269956a_100000700818_100000749161 [0,0,0,1,0,0|2,0,0]=3 7268 B12R1.257 O=C(O)COCCNC1COC1 269956a_100000700818_100009818527 [0,0,0,1,0,0|3,0,0]=4 7269 B12R1.257 O=[N+]([O-])CCCCOC1CCC1 34a_200015379883_100000749161 [0,0,0,1,0,0|2,0,1]=4 7270 B12R1.257 O=[N+]([O-])CCCOCC1CCC1 34a_200000037920_100000763275 [0,0,0,1,0,0|2,0,1]=4 7271 B12R1.257 OB(O)CCCCCN1CCC1 269982a_100000754969_200009817188 [0,0,0,1,0,0|2,0,1]=4 7272 B12R1.257 OB(O)CCCCNC1CCC1 2230a_100000749019_200009817182 [0,0,0,1,0,0|2,0,1]=4 7273 B12R1.257 OB(O)CCCCNC1CCC1 34a_100000749019_200009817182 [0,0,0,1,0,0|2,0,1]=4 7274 B12R1.257 OB(O)CCCCOC1CCC1 34a_100000748187_200009817182 [0,0,0,1,0,0|2,0,1]=4 7275 B12R1.257 OB(O)CCCCSC1CCC1 62a_200009817182_100000749161 [0,0,0,1,0,0|2,0,1]=4 7276 B12R1.283 C#CCN1CCCC[C@@H]1C(=O)O 269956a_100000763471_100000184674 [0,0,0,1,0,0|1,0,2]=4 7277 B12R1.283 C=CCN1CCCC[C@@H]1C(=O)O 269956a_100000763471_100000210623 [0,0,0,1,0,0|1,0,2]=4 7278 B12R1.283 CC(=O)N1CCCCC1CCO 240690a_100000211664_100015343762 [0,0,0,1,0,0|3,0,0]=4 7279 B12R1.283 CCCC1CCCCC1N(C)C 270004a_100102631434_100011218038 [0,0,0,1,0,0|3,0,0]=4 7280 B12R1.283 CCCC1CCCCN1C(=O)C 11a_100000701414_100015343762 [0,0,0,1,0,0|2,0,0]=3 7281 B12R1.283 CCCC1CCCCN1C(=O)C 1626a_100000701414_100015343762 [0,0,0,1,0,0|2,0,0]=3 7282 B12R1.283 CCCC1CCCCN1C(=O)C 240690a_100000701414_100015343762 [0,0,0,1,0,0|2,0,0]=3 7283 B12R1.283 CCCC1CCCCN1C(=O)C 527a_100000701414_100103153847 [0,0,0,1,0,0|2,0,0]=3 7284 B12R1.283 CCCC1COCCN1C(=O)C 11a_102495339903_100015343762 [0,0,0,1,0,0|3,0,0]=4 7285 B12R1.283 CCCC1COCCN1C(=O)C 1626a_102495339903_100015343762 [0,0,0,1,0,0|3,0,0]=4 7286 B12R1.283 CCCC1COCCN1C(=O)C 240690a_102495339903_100015343762 [0,0,0,1,0,0|3,0,0]=4 7287 B12R1.283 CCCC1COCCN1C(=O)C 527a_102495339903_100103153847 [0,0,0,1,0,0|3,0,0]=4 7288 B12R1.283 CCCN1CCCCC1C(=O)C 1458a_100000743559_200000210301 [0,0,0,1,0,0|2,0,0]=3 7289 B12R1.283 CCCN1CCCCC1C(=O)N 2230a_100000181395_100000210303 [0,0,0,1,0,0|2,0,0]=3 7290 B12R1.283 CCCN1CCCCC1C(=O)N 269982a_100000181395_100000210303 [0,0,0,1,0,0|2,0,0]=3 7291 B12R1.283 CCCN1CCCCC1C(=O)N 34a_100000181395_100000210303 [0,0,0,1,0,0|2,0,0]=3 7292 B12R1.283 CCCN1CCCCC1C(=O)[13CH3] 1458a_100000743559_200025704644 [0,0,0,1,0,0|2,0,0]=3 7293 B12R1.283 CCCN1CCCC[C@@H]1C(=O)O 269956a_100000763471_100000210207 [0,0,0,1,0,0|1,0,0]=2 7294 B12R1.283 CCCN1CCOC[C@@H]1C(=O)O 269956a_100016993156_100000210207 [0,0,0,1,0,0|2,0,0]=3 7295 B12R1.283 CCCN1CCSCC1C(=O)O 269956a_100011346106_100000210207 [0,0,0,1,0,0|2,0,0]=3 7296 B12R1.283 CCCN1CSCCC1C(=O)O 269956a_100015185162_100000210207 [0,0,0,1,0,0|2,0,0]=3 7297 B12R1.283 CCN[C@@H]1CCCC[C@H]1C(=O)O 269956a_100009816435_100000210202 [0,0,0,1,0,0|1,0,0]=2 7298 B12R1.283 COCC1CCCCN1C(=O)C 11a_100015184032_100015343762 [0,0,0,1,0,0|3,0,0]=4 7299 B12R1.283 COCC1CCCCN1C(=O)C 1626a_100015184032_100015343762 [0,0,0,1,0,0|3,0,0]=4 7300 B12R1.283 COCC1CCCCN1C(=O)C 240690a_100015184032_100015343762 [0,0,0,1,0,0|3,0,0]=4 7301 B12R1.283 COCC1CCCCN1C(=O)C 527a_100015184032_100103153847 [0,0,0,1,0,0|3,0,0]=4 7302 B12R1.283 COCN1CCCCC1C(=O)N 2230a_100000181395_100000766300 [0,0,0,1,0,0|3,0,0]=4 7303 B12R1.283 COCN1CCCCC1C(=O)N 269982a_100000181395_100000766300 [0,0,0,1,0,0|3,0,0]=4 7304 B12R1.283 COCN1CCCC[C@@H]1C(=O)O 269956a_100000763471_100000766300 [0,0,0,1,0,0|2,0,0]=3 7305 B12R1.283 COCN1CCOC[C@@H]1C(=O)O 269956a_100016993156_100000766300 [0,0,0,1,0,0|3,0,0]=4 7306 B12R1.283 COCN1CCSCC1C(=O)O 269956a_100011346106_100000766300 [0,0,0,1,0,0|3,0,0]=4 7307 B12R1.283 COCN1CSCCC1C(=O)O 269956a_100015185162_100000766300 [0,0,0,1,0,0|3,0,0]=4 7308 B12R1.283 CSCN1CCCCC1C(=O)N 2230a_100000181395_100011218213 [0,0,0,1,0,0|3,0,0]=4 7309 B12R1.283 CSCN1CCCCC1C(=O)N 269982a_100000181395_100011218213 [0,0,0,1,0,0|3,0,0]=4 7310 B12R1.283 CSCN1CCCCC1C(=O)N 34a_100000181395_100011218213 [0,0,0,1,0,0|3,0,0]=4 7311 B12R1.283 CSCN1CCCC[C@@H]1C(=O)O 269956a_100000763471_100011218213 [0,0,0,1,0,0|2,0,0]=3 7312 B12R1.283 CSCN1CCOC[C@@H]1C(=O)O 269956a_100016993156_100011218213 [0,0,0,1,0,0|3,0,0]=4 7313 B12R1.283 CSCN1CCSCC1C(=O)O 269956a_100011346106_100011218213 [0,0,0,1,0,0|3,0,0]=4 7314 B12R1.283 CSCN1CSCCC1C(=O)O 269956a_100015185162_100011218213 [0,0,0,1,0,0|3,0,0]=4 7315 B12R1.283 N#CCN1CCCC[C@@H]1C(=O)O 269956a_100000763471_100011215382 [0,0,0,1,0,0|2,0,1]=4 7316 B12R1.283 NC(=O)C1CCCCN1CCF 2230a_100000181395_100011217306 [0,0,0,1,0,0|3,0,0]=4 7317 B12R1.283 NC(=O)C1CCCCN1CCF 269982a_100000181395_100011217306 [0,0,0,1,0,0|3,0,0]=4 7318 B12R1.283 NC(=O)C1CCCCN1CCF 34a_100000181395_100011217306 [0,0,0,1,0,0|3,0,0]=4 7319 B12R1.283 NC(=O)C1CCCCN1CCO 2230a_100000181395_100000211926 [0,0,0,1,0,0|3,0,0]=4 7320 B12R1.283 NC(=O)C1CCCCN1CCO 269982a_100000181395_100000211926 [0,0,0,1,0,0|3,0,0]=4 7321 B12R1.283 NC(=O)C1CCCCN1CCO 34a_100000181395_100000211926 [0,0,0,1,0,0|3,0,0]=4 7322 B12R1.283 O=C(O)C1CCSCN1CCF 269956a_100015185162_100011217306 [0,0,0,1,0,0|3,0,0]=4 7323 B12R1.283 O=C(O)C1CCSCN1CCO 269956a_100015185162_100000211926 [0,0,0,1,0,0|3,0,0]=4 7324 B12R1.283 O=C(O)C1CSCCN1CCF 269956a_100011346106_100011217306 [0,0,0,1,0,0|3,0,0]=4 7325 B12R1.283 O=C(O)C1CSCCN1CCO 269956a_100011346106_100000211926 [0,0,0,1,0,0|3,0,0]=4 7326 B12R1.283 O=C(O)[C@@H]1CCCC[C@H]1NCF 269956a_100009816435_100015361967 [0,0,0,1,0,0|2,0,0]=3 7327 B12R1.283 O=C(O)[C@H]1CCCCN1CCF 269956a_100000763471_100011217306 [0,0,0,1,0,0|2,0,0]=3 7328 B12R1.283 O=C(O)[C@H]1CCCCN1CCO 269956a_100000763471_100000211926 [0,0,0,1,0,0|2,0,0]=3 7329 B12R1.283 O=C(O)[C@H]1COCCN1CCF 269956a_100016993156_100011217306 [0,0,0,1,0,0|3,0,0]=4 7330 B12R1.283 O=C(O)[C@H]1COCCN1CCO 269956a_100016993156_100000211926 [0,0,0,1,0,0|3,0,0]=4 7331 B12R1.283 O=CCN1CCCC[C@@H]1C(=O)O 269956a_100000763471_200015260668 [0,0,0,1,0,0|2,0,1]=4 7332 B12R1.289 COC[C@@H]1CCCN1CC(=O)N 2230a_100020646714_100000747473 [0,0,0,1,0,0|3,0,0]=4 7333 B12R1.289 COC[C@@H]1CCCN1CC(=O)N 269982a_100020646714_100000187820 [0,0,0,1,0,0|3,0,0]=4 7334 B12R1.289 COC[C@@H]1CCCN1CC(=O)N 34a_100020646714_100000187820 [0,0,0,1,0,0|3,0,0]=4 7335 B12R1.289 COC[C@@H]1CCCN1CC(=O)[O-] 269982a_100020646714_100020667443 [0,0,0,1,0,0|2,0,1]=4 7336 B12R1.289 COC[C@@H]1CCCN1CC(=O)[O-] 34a_100020646714_100020667443 [0,0,0,1,0,0|2,0,1]=4 7337 B12R1.321 CCCCN1CCCCC(C1)O 2230a_100025706797_100000210211 [0,0,0,1,0,0|2,0,1]=4 7338 B12R1.321 CCCCN1CCCCC(C1)O 269982a_100025706797_100000210211 [0,0,0,1,0,0|2,0,1]=4 7339 B12R1.321 CCCCN1CCCNC(=O)C1 2230a_100015190381_100000210211 [0,0,0,1,0,0|3,0,0]=4 7340 B12R1.375 CCCCCCCNCC1CO1 2230a_100000229938_100011216344 [0,0,0,1,0,0|2,0,1]=4 7341 B12R1.375 CCCCCCCOCC1CO1 34a_100000210272_102125554688 [0,0,0,1,0,0|2,0,1]=4 7342 B12R1.375 CCCCCCCOCC1CO1 7a_100000210272_102125554688 [0,0,0,1,0,0|2,0,1]=4 7343 B12R1.375 CCCCCCCOC[C@@H]1CO1 34a_100000757423_100000210614 [0,0,0,1,0,0|2,0,1]=4 7344 B12R1.375 CCCCCCCOC[C@@H]1CO1 7a_100000210272_100000745022 [0,0,0,1,0,0|2,0,1]=4 7345 B12R1.375 CCCCCCCSCC1CO1 62a_100000210614_102125554688 [0,0,0,1,0,0|2,0,1]=4 7346 B12R1.375 CCCCCCCSCC1CO1 62a_102125554688_100000210316 [0,0,0,1,0,0|2,0,1]=4 7347 B12R1.375 CCCCCCCSC[C@@H]1CO1 62a_100000210614_100000745022 [0,0,0,1,0,0|2,0,1]=4 7348 B12R1.375 CCCCCCCSC[C@@H]1CO1 62a_100000745022_100000210316 [0,0,0,1,0,0|2,0,1]=4 7349 B12R1.375 CCCCCCNCCC1CO1 2230a_100000210581_100000732470 [0,0,0,1,0,0|2,0,1]=4 7350 B12R1.375 CCCCCCOCCC1CO1 34a_100000210259_100000732470 [0,0,0,1,0,0|2,0,1]=4 7351 B12R1.375 CCCCCCOCCC1CO1 7a_100000210259_100000732470 [0,0,0,1,0,0|2,0,1]=4 7352 B12R1.375 CCCCCCOCC[C@@H]1CO1 34a_100009820653_100000210314 [0,0,0,1,0,0|2,0,1]=4 7353 B12R1.375 CCCCCCSCCC1CO1 62a_100000210314_100000732470 [0,0,0,1,0,0|2,0,1]=4 7354 B12R1.375 CCCCCCSCCC1CO1 62a_100000732470_100000210757 [0,0,0,1,0,0|2,0,1]=4 7355 B12R1.375 CCCCCNCCCC1CO1 2230a_100000209983_100000733510 [0,0,0,1,0,0|2,0,1]=4 7356 B12R1.375 CCCCCOCCCC1CO1 34a_100000210253_100000733510 [0,0,0,1,0,0|2,0,1]=4 7357 B12R1.375 CCCCCOCCCC1CO1 7a_100000210253_100000733510 [0,0,0,1,0,0|2,0,1]=4 7358 B12R1.375 CCCCCSCCCC1CO1 62a_100000210326_100000733510 [0,0,0,1,0,0|2,0,1]=4 7359 B12R1.375 CCCCCSCCCC1CO1 62a_100000733510_100000210326 [0,0,0,1,0,0|2,0,1]=4 7360 B12R1.386 C#CCCN1CCC[C@H]1C(=O)O 269956a_100000743916_100000688953 [0,0,0,1,0,0|1,0,2]=4 7361 B12R1.386 C/C=C/CN1CCC[C@H]1C(=O)O 269956a_100000743916_100102629194 [0,0,0,1,0,0|1,0,2]=4 7362 B12R1.386 C=CCCN1CCC[C@H]1C(=O)O 269956a_100000743916_100000754431 [0,0,0,1,0,0|1,0,2]=4 7363 B12R1.386 CC#CCN1CCC[C@H]1C(=O)O 269956a_100000743916_100000748600 [0,0,0,1,0,0|1,0,2]=4 7364 B12R1.386 CCCCC1CCCC1N(C)C 270004a_100102631434_100000750825 [0,0,0,1,0,0|3,0,0]=4 7365 B12R1.386 CCCCN1CC=C[C@H]1C(=O)O 269956a_100000057196_100000210211 [0,0,0,1,0,0|1,0,2]=4 7366 B12R1.386 CCCCN1CCC[C@H]1C(=O)N 2230a_100000003125_100000210211 [0,0,0,1,0,0|2,0,0]=3 7367 B12R1.386 CCCCN1CCC[C@H]1C(=O)O 269956a_100000743916_100000210211 [0,0,0,1,0,0|1,0,0]=2 7368 B12R1.386 CCCCN1CCSC1C(=O)O 269956a_100000035718_100000210211 [0,0,0,1,0,0|2,0,0]=3 7369 B12R1.386 CCCCN1CSC[C@H]1C(=O)O 269956a_100000743924_100000210211 [0,0,0,1,0,0|2,0,0]=3 7370 B12R1.386 CCOCN1CCC[C@H]1C(=O)O 269956a_100000743916_100000739092 [0,0,0,1,0,0|2,0,0]=3 7371 B12R1.386 CCOCN1CCSC1C(=O)O 269956a_100000035718_100000739092 [0,0,0,1,0,0|3,0,0]=4 7372 B12R1.386 CCOCN1CSC[C@H]1C(=O)O 269956a_100000743924_100000739092 [0,0,0,1,0,0|3,0,0]=4 7373 B12R1.386 CCOC[C@@H]1CCCN1C(=O)N 34a_100012022907_100000210202 [0,0,0,1,0,0|3,0,0]=4 7374 B12R1.386 CCOC[C@@H]1CCCN1C(=O)N 7a_100012022907_100000210202 [0,0,0,1,0,0|3,0,0]=4 7375 B12R1.386 CCOC[C@H]1CCCN1C(=O)C 34a_100012242843_100000210202 [0,0,0,1,0,0|3,0,0]=4 7376 B12R1.386 CCOC[C@H]1CCCN1C(=O)C 7a_100012242843_100000210202 [0,0,0,1,0,0|3,0,0]=4 7377 B12R1.386 COCCN1CCC[C@H]1C(=O)N 2230a_100000003125_100011201679 [0,0,0,1,0,0|3,0,0]=4 7378 B12R1.386 COCCN1CCC[C@H]1C(=O)O 269956a_100000743916_100000233755 [0,0,0,1,0,0|2,0,0]=3 7379 B12R1.386 COCCN1CCSC1C(=O)O 269956a_100000035718_100000233755 [0,0,0,1,0,0|3,0,0]=4 7380 B12R1.386 COCCN1CSC[C@H]1C(=O)O 269956a_100000743924_100000233755 [0,0,0,1,0,0|3,0,0]=4 7381 B12R1.386 CSCCN1CCC[C@H]1C(=O)N 2230a_100000003125_100000751147 [0,0,0,1,0,0|3,0,0]=4 7382 B12R1.386 CSCCN1CCC[C@H]1C(=O)O 269956a_100000743916_100000212216 [0,0,0,1,0,0|2,0,0]=3 7383 B12R1.386 CSCCN1CCSC1C(=O)O 269956a_100000035718_100000212216 [0,0,0,1,0,0|3,0,0]=4 7384 B12R1.386 CSCCN1CSC[C@H]1C(=O)O 269956a_100000743924_100000212216 [0,0,0,1,0,0|3,0,0]=4 7385 B12R1.386 N#CCCN1CCC[C@H]1C(=O)O 269956a_100000743916_100011215226 [0,0,0,1,0,0|2,0,1]=4 7386 B12R1.386 NC(=O)[C@@H]1CCCN1CCCF 2230a_100000003125_100011934791 [0,0,0,1,0,0|3,0,0]=4 7387 B12R1.386 NC(=O)[C@@H]1CCCN1CCCO 2230a_100000003125_100000230001 [0,0,0,1,0,0|3,0,0]=4 7388 B12R1.386 O=C(O)C1SCCN1CCCF 269956a_100000035718_100011934791 [0,0,0,1,0,0|3,0,0]=4 7389 B12R1.386 O=C(O)C1SCCN1CCCO 269956a_100000035718_100011215043 [0,0,0,1,0,0|3,0,0]=4 7390 B12R1.386 O=C(O)[C@@H]1CCCN1CCCF 269956a_100000743916_100011934791 [0,0,0,1,0,0|2,0,0]=3 7391 B12R1.386 O=C(O)[C@@H]1CCCN1CCCO 269956a_100000743916_100011215043 [0,0,0,1,0,0|2,0,0]=3 7392 B12R1.386 O=C(O)[C@@H]1CSCN1CCCF 269956a_100000743924_100011934791 [0,0,0,1,0,0|3,0,0]=4 7393 B12R1.386 O=C(O)[C@@H]1CSCN1CCCO 269956a_100000743924_100011215043 [0,0,0,1,0,0|3,0,0]=4 7394 B12R1.390 CC(=O)CCCCNCC1CC1 34a_100000735609_100009817362 [0,0,0,1,0,0|2,0,0]=3 7395 B12R1.390 CC(=O)CCCCOCC1CC1 34a_100000211283_100009817362 [0,0,0,1,0,0|2,0,0]=3 7396 B12R1.390 CC(=O)CCCCOC[C@@H]1CO1 34a_100000757423_100009817362 [0,0,0,1,0,0|3,0,0]=4 7397 B12R1.390 CC(=O)CCCCSCC1CC1 62a_100000735457_100000742324 [0,0,0,1,0,0|2,0,0]=3 7398 B12R1.390 CC(=O)CCCCSCC1CC1 62a_100000756562_100000735457 [0,0,0,1,0,0|2,0,0]=3 7399 B12R1.390 CC(=O)CCCCSCC1CO1 62a_100000735457_102125554688 [0,0,0,1,0,0|3,0,0]=4 7400 B12R1.390 CC(=O)CCCCSCC1CO1 62a_102125554688_100000735457 [0,0,0,1,0,0|3,0,0]=4 7401 B12R1.390 CC(=O)CCCCSCC1CS1 62a_100000031435_100000735457 [0,0,0,1,0,0|3,0,0]=4 7402 B12R1.390 CC(=O)CCCCSCC1CS1 62a_100000735457_100000031435 [0,0,0,1,0,0|3,0,0]=4 7403 B12R1.390 CC(=O)CCCCSC[C@@H]1CO1 62a_100000735457_100000745022 [0,0,0,1,0,0|3,0,0]=4 7404 B12R1.390 CC(=O)CCCCSC[C@@H]1CO1 62a_100000745022_100000735457 [0,0,0,1,0,0|3,0,0]=4 7405 B12R1.390 CC(=O)CCCNCCC1CC1 34a_100000764129_100000685027 [0,0,0,1,0,0|2,0,0]=3 7406 B12R1.390 CC(=O)CCCOCCC1CC1 34a_100000754188_100000685027 [0,0,0,1,0,0|2,0,0]=3 7407 B12R1.390 CC(=O)CCCOCCC1CC1 34a_100000759063_100000694398 [0,0,0,1,0,0|2,0,0]=3 7408 B12R1.390 CC(=O)CCCOCCC1CC1 7a_100000754188_100011215641 [0,0,0,1,0,0|2,0,0]=3 7409 B12R1.390 CC(=O)CCCOCCC1CC1 7a_100000759063_100000764125 [0,0,0,1,0,0|2,0,0]=3 7410 B12R1.390 CC(=O)CCCOCCC1CO1 34a_100000759063_100000732470 [0,0,0,1,0,0|3,0,0]=4 7411 B12R1.390 CC(=O)CCCOCCC1CO1 7a_100000759063_100000732470 [0,0,0,1,0,0|3,0,0]=4 7412 B12R1.390 CC(=O)CCCOCC[C@@H]1CO1 34a_100009820653_100000685027 [0,0,0,1,0,0|3,0,0]=4 7413 B12R1.390 CC(=O)CCCSCCC1CC1 62a_100000764125_100011215641 [0,0,0,1,0,0|2,0,0]=3 7414 B12R1.390 CC(=O)CCCSCCC1CC1 62a_100011215641_100000764125 [0,0,0,1,0,0|2,0,0]=3 7415 B12R1.390 CC(=O)CCCSCCC1CO1 62a_100000732470_100011215641 [0,0,0,1,0,0|3,0,0]=4 7416 B12R1.390 CC(=O)CCCSCCC1CO1 62a_100011215641_100000732470 [0,0,0,1,0,0|3,0,0]=4 7417 B12R1.390 CC(=O)CCOCCCC1CO1 34a_100000759926_100000733510 [0,0,0,1,0,0|3,0,0]=4 7418 B12R1.390 CC(=O)CCOCCCC1CO1 7a_100000759926_100000733510 [0,0,0,1,0,0|3,0,0]=4 7419 B12R1.390 CC(=O)CCSCCCC1CO1 62a_100000053229_100000733510 [0,0,0,1,0,0|3,0,0]=4 7420 B12R1.390 CC(=O)CCSCCCC1CO1 62a_100000733510_100000053229 [0,0,0,1,0,0|3,0,0]=4 7421 B12R1.390 CC(=O)NCCCCNC1CC1 34a_200011368371_100000211595 [0,0,0,1,0,0|3,0,0]=4 7422 B12R1.390 CC(=O)NCCCNCC1CC1 269862a_100000736810_100000741477 [0,0,0,1,0,0|3,0,0]=4 7423 B12R1.390 CC(=O)NCCCNCC1CC1 34a_100000736810_100000742324 [0,0,0,1,0,0|3,0,0]=4 7424 B12R1.390 CC(=O)NCCCOCC1CC1 34a_100000752032_100000742324 [0,0,0,1,0,0|3,0,0]=4 7425 B12R1.390 CC(=O)NCCNCCC1CC1 2230a_100000209853_100000694398 [0,0,0,1,0,0|3,0,0]=4 7426 B12R1.390 CC(=O)NCCOCCC1CC1 34a_100000158858_100000694398 [0,0,0,1,0,0|3,0,0]=4 7427 B12R1.390 CC(=O)NCCOCCC1CC1 7a_100000754188_100000189650 [0,0,0,1,0,0|3,0,0]=4 7428 B12R1.390 CC(=O)NCCSCCC1CC1 62a_100000189650_100000764125 [0,0,0,1,0,0|3,0,0]=4 7429 B12R1.390 CC(=O)NCCSCCC1CC1 62a_100000764125_100000189650 [0,0,0,1,0,0|3,0,0]=4 7430 B12R1.390 CC(=O)OCCCCNC1CC1 34a_100000212008_100000033659 [0,0,0,1,0,0|3,0,0]=4 7431 B12R1.390 CC(=O)OCCCCOC1CC1 34a_100000073216_100000211595 [0,0,0,1,0,0|3,0,0]=4 7432 B12R1.390 CC(=O)OCCCCSC1CC1 62a_100000033659_100000211595 [0,0,0,1,0,0|3,0,0]=4 7433 B12R1.390 CC(=O)OCCCNCC1CC1 34a_100000735609_100000042594 [0,0,0,1,0,0|3,0,0]=4 7434 B12R1.390 CC(=O)OCCCOCC1CC1 34a_100000211283_100000042594 [0,0,0,1,0,0|3,0,0]=4 7435 B12R1.390 CC(=O)OCCCSCC1CC1 62a_100000042594_100000742324 [0,0,0,1,0,0|3,0,0]=4 7436 B12R1.390 CC(=O)OCCCSCC1CC1 62a_100000756562_100000042594 [0,0,0,1,0,0|3,0,0]=4 7437 B12R1.390 CC(=O)OCCNCCC1CC1 34a_100000764129_100009814007 [0,0,0,1,0,0|3,0,0]=4 7438 B12R1.390 CC(=O)OCCOCCC1CC1 34a_100000754188_100009814007 [0,0,0,1,0,0|3,0,0]=4 7439 B12R1.390 CC(=O)OCCOCCC1CC1 7a_100000754188_100009814007 [0,0,0,1,0,0|3,0,0]=4 7440 B12R1.390 CC(=O)OCCSCCC1CC1 62a_100000764125_100009814007 [0,0,0,1,0,0|3,0,0]=4 7441 B12R1.390 CC(=O)OCCSCCC1CC1 62a_100009814007_100000764125 [0,0,0,1,0,0|3,0,0]=4 7442 B12R1.390 CC(=O)SCCCCNC1CC1 34a_100000212008_200010402107 [0,0,0,1,0,0|3,0,0]=4 7443 B12R1.390 CC(=O)SCCCCSC1CC1 62a_200010402107_100000211595 [0,0,0,1,0,0|3,0,0]=4 7444 B12R1.390 CC(=O)SCCCNCC1CC1 2230a_100000735609_100000038929 [0,0,0,1,0,0|3,0,0]=4 7445 B12R1.390 CC(=O)SCCCNCC1CC1 34a_100000735609_100000038929 [0,0,0,1,0,0|3,0,0]=4 7446 B12R1.390 CC(=O)SCCCOCC1CC1 34a_100000211283_100000038929 [0,0,0,1,0,0|3,0,0]=4 7447 B12R1.390 CC(=O)SCCCSCC1CC1 62a_100000038929_100000742324 [0,0,0,1,0,0|3,0,0]=4 7448 B12R1.390 CC(=O)SCCCSCC1CC1 62a_100000756562_100000038929 [0,0,0,1,0,0|3,0,0]=4 7449 B12R1.390 CC(O)CCCNCCC1CC1 34a_100000764129_200000718107 [0,0,0,1,0,0|2,0,1]=4 7450 B12R1.390 CC(O)CCCOCCC1CC1 34a_100000754188_200000718107 [0,0,0,1,0,0|2,0,1]=4 7451 B12R1.390 CC(O)CCCOCCC1CC1 7a_100000754188_200000718107 [0,0,0,1,0,0|2,0,1]=4 7452 B12R1.390 CC(O)CCCSCCC1CC1 62a_100000764125_200000718107 [0,0,0,1,0,0|2,0,1]=4 7453 B12R1.390 CC(O)CCCSCCC1CC1 62a_200000718107_100000764125 [0,0,0,1,0,0|2,0,1]=4 7454 B12R1.390 CS(=O)CCCNCCC1CC1 2230a_200000753449_100000694398 [0,0,0,1,0,0|3,0,0]=4 7455 B12R1.390 NC(=O)CCCCCNC1CC1 34a_100000212008_100009817443 [0,0,0,1,0,0|2,0,0]=3 7456 B12R1.390 NC(=O)CCCCCOC1CC1 34a_100000123541_100000211595 [0,0,0,1,0,0|2,0,0]=3 7457 B12R1.390 NC(=O)CCCCCSC1CC1 62a_100009817443_100000211595 [0,0,0,1,0,0|2,0,0]=3 7458 B12R1.390 NC(=O)CCCCNCC1CC1 269862a_100000696515_100000741477 [0,0,0,1,0,0|2,0,0]=3 7459 B12R1.390 NC(=O)CCCCNCC1CC1 34a_100000696515_100000742324 [0,0,0,1,0,0|2,0,0]=3 7460 B12R1.390 NC(=O)CCCCNCC1CO1 34a_100000696515_102125554688 [0,0,0,1,0,0|3,0,0]=4 7461 B12R1.390 NC(=O)CCCCOCC1CC1 34a_100012022536_100000742324 [0,0,0,1,0,0|2,0,0]=3 7462 B12R1.390 NC(=O)CCCCOCC1CC1 7a_100012022536_100000742324 [0,0,0,1,0,0|2,0,0]=3 7463 B12R1.390 NC(=O)CCCCOCC1CO1 34a_100012022536_102125554688 [0,0,0,1,0,0|3,0,0]=4 7464 B12R1.390 NC(=O)CCCCOCC1CO1 7a_100012022536_102125554688 [0,0,0,1,0,0|3,0,0]=4 7465 B12R1.390 NC(=O)CCCCOCC1CS1 7a_100012022536_100000031435 [0,0,0,1,0,0|3,0,0]=4 7466 B12R1.390 NC(=O)CCCCOC[C@@H]1CO1 7a_100012022536_100000745022 [0,0,0,1,0,0|3,0,0]=4 7467 B12R1.390 NC(=O)CCCNCCC1CC1 34a_100000739312_100000694398 [0,0,0,1,0,0|2,0,0]=3 7468 B12R1.390 NC(=O)CCCNCCC1CC1 34a_100000764129_100102525003 [0,0,0,1,0,0|2,0,0]=3 7469 B12R1.390 NC(=O)CCCNCCC1CO1 34a_100000739312_100000732470 [0,0,0,1,0,0|3,0,0]=4 7470 B12R1.390 NC(=O)CCCOCCC1CC1 34a_100000754188_100102525003 [0,0,0,1,0,0|2,0,0]=3 7471 B12R1.390 NC(=O)CCCOCCC1CC1 7a_100000754188_100102525003 [0,0,0,1,0,0|2,0,0]=3 7472 B12R1.390 NC(=O)CCCOCC[C@@H]1CO1 34a_100009820653_100102525003 [0,0,0,1,0,0|3,0,0]=4 7473 B12R1.390 NC(=O)CCCSCCC1CC1 62a_100000764125_100102525003 [0,0,0,1,0,0|2,0,0]=3 7474 B12R1.390 NC(=O)CCCSCCC1CC1 62a_100102525003_100000764125 [0,0,0,1,0,0|2,0,0]=3 7475 B12R1.390 NC(=O)CCCSCCC1CO1 62a_100000732470_100102525003 [0,0,0,1,0,0|3,0,0]=4 7476 B12R1.390 NC(=O)CCCSCCC1CO1 62a_100102525003_100000732470 [0,0,0,1,0,0|3,0,0]=4 7477 B12R1.390 NC(=O)CCOCCCC1CO1 34a_100000757172_100000733510 [0,0,0,1,0,0|3,0,0]=4 7478 B12R1.390 NC(=O)CCOCCCC1CO1 7a_100000757172_100000733510 [0,0,0,1,0,0|3,0,0]=4 7479 B12R1.390 NC(=O)CCOCCNC1CC1 34a_100000738766_100000731001 [0,0,0,1,0,0|3,0,0]=4 7480 B12R1.390 NC(=O)CCSCCCC1CO1 62a_100000733510_100000744528 [0,0,0,1,0,0|3,0,0]=4 7481 B12R1.390 NC(=O)CCSCCCC1CO1 62a_100000744528_100000733510 [0,0,0,1,0,0|3,0,0]=4 7482 B12R1.390 NC(=O)COCCNCC1CC1 2230a_100000735609_100000076697 [0,0,0,1,0,0|3,0,0]=4 7483 B12R1.390 NC(=O)COCCNCC1CC1 34a_100000735609_100000076697 [0,0,0,1,0,0|3,0,0]=4 7484 B12R1.390 NC(=O)COCCOCC1CC1 34a_100000211283_100000076697 [0,0,0,1,0,0|3,0,0]=4 7485 B12R1.390 NC(=O)COCCSCC1CC1 62a_100000076697_100000742324 [0,0,0,1,0,0|3,0,0]=4 7486 B12R1.390 NC(=O)COCCSCC1CC1 62a_100000756562_100000076697 [0,0,0,1,0,0|3,0,0]=4 7487 B12R1.390 NC(=O)NCCNCCC1CC1 34a_100020590234_100000694398 [0,0,0,1,0,0|3,0,0]=4 7488 B12R1.390 NC(=O)NCCOCCC1CC1 34a_100000181757_100000694398 [0,0,0,1,0,0|3,0,0]=4 7489 B12R1.390 NC(=O)NCCOCCC1CC1 7a_100000754188_200000034859 [0,0,0,1,0,0|3,0,0]=4 7490 B12R1.390 NC(=O)NCCSCCC1CC1 62a_100000764125_200000034859 [0,0,0,1,0,0|3,0,0]=4 7491 B12R1.390 NC(=O)NCCSCCC1CC1 62a_200000034859_100000764125 [0,0,0,1,0,0|3,0,0]=4 7492 B12R1.390 NC(=O)OCCNCCC1CC1 34a_100000764129_200011214921 [0,0,0,1,0,0|3,0,0]=4 7493 B12R1.390 NC(=O)OCCOCCC1CC1 34a_100000754188_200011214921 [0,0,0,1,0,0|3,0,0]=4 7494 B12R1.390 NC(=O)OCCOCCC1CC1 7a_100000754188_200011214921 [0,0,0,1,0,0|3,0,0]=4 7495 B12R1.390 NC(=O)OCCOCCC1CC1 7a_100000766696_100000764125 [0,0,0,1,0,0|3,0,0]=4 7496 B12R1.390 NC(=O)OCCSCCC1CC1 62a_100000764125_200011214921 [0,0,0,1,0,0|3,0,0]=4 7497 B12R1.390 NC(=O)OCCSCCC1CC1 62a_200011214921_100000764125 [0,0,0,1,0,0|3,0,0]=4 7498 B12R1.390 O=C(O)COCCNCC1CC1 269956a_100000700818_100000742324 [0,0,0,1,0,0|2,0,0]=3 7499 B12R1.390 O=C(O)COCCNCC1CO1 269956a_100000700818_102125554688 [0,0,0,1,0,0|3,0,0]=4 7500 B12R1.390 O=C(O)COCCNCC1CS1 269956a_100000700818_100000031435 [0,0,0,1,0,0|3,0,0]=4 7501 B12R1.390 O=C(O)COCCNC[C@@H]1CO1 269956a_100000700818_100000745022 [0,0,0,1,0,0|3,0,0]=4 7502 B12R1.390 O=C(O)CONCCCC1CO1 269956a_100000106656_100000733510 [0,0,0,1,0,0|3,0,0]=4 7503 B12R1.390 O=[N+]([O-])CCCCOCC1CC1 34a_200015379883_100000742324 [0,0,0,1,0,0|2,0,1]=4 7504 B12R1.390 O=[N+]([O-])CCCCOCC1CC1 7a_200015379883_100000742324 [0,0,0,1,0,0|2,0,1]=4 7505 B12R1.390 O=[N+]([O-])CCCOCCC1CC1 34a_200000037920_100000694398 [0,0,0,1,0,0|2,0,1]=4 7506 B12R1.390 OB(O)CCCCCNC1CC1 34a_100000212008_200009817188 [0,0,0,1,0,0|2,0,1]=4 7507 B12R1.390 OB(O)CCCCCSC1CC1 62a_200009817188_100000211595 [0,0,0,1,0,0|2,0,1]=4 7508 B12R1.390 OB(O)CCCCNCC1CC1 2230a_100000735609_200009817182 [0,0,0,1,0,0|2,0,1]=4 7509 B12R1.390 OB(O)CCCCNCC1CC1 34a_100000735609_200009817182 [0,0,0,1,0,0|2,0,1]=4 7510 B12R1.390 OB(O)CCCCOCC1CC1 34a_100000211283_200009817182 [0,0,0,1,0,0|2,0,1]=4 7511 B12R1.390 OB(O)CCCCSCC1CC1 62a_100000756562_200009817182 [0,0,0,1,0,0|2,0,1]=4 7512 B12R1.390 OB(O)CCCCSCC1CC1 62a_200009817182_100000742324 [0,0,0,1,0,0|2,0,1]=4 7513 B12R1.405 CCN1CCCCCC1C(=O)O 269956a_100000758484_100000210202 [0,0,0,1,0,0|1,0,0]=2 7514 B12R1.405 O=C(O)C1CCCCCN1CF 269956a_100000758484_100015361967 [0,0,0,1,0,0|2,0,0]=3 7515 B12R1.459 CCCCN[C@@H]1CCC[C@@]1(C)O 2230a_100015977457_100000210211 [0,0,0,1,0,0|2,0,1]=4 7516 B12R1.459 CCCCN[C@@H]1CCC[C@@]1(C)O 34a_100015977457_100000210210 [0,0,0,1,0,0|2,0,1]=4 7517 B12R1.522 C#CCCCN1CCC1C(=O)O 269956a_100000021838_100011215417 [0,0,0,1,0,0|1,0,2]=4 7518 B12R1.522 C=CCCCN1CCC1C(=O)O 269956a_100000021838_100011713584 [0,0,0,1,0,0|1,0,2]=4 7519 B12R1.522 CC/C=C\CN1CCC1C(=O)O 269956a_100000021838_100103147603 [0,0,0,1,0,0|1,0,2]=4 7520 B12R1.522 CCC#CCN1CCC1C(=O)O 269956a_100000021838_100009813939 [0,0,0,1,0,0|1,0,2]=4 7521 B12R1.522 CCCCCN1CCC1C(=O)O 269956a_100000021838_100000210326 [0,0,0,1,0,0|1,0,0]=2 7522 B12R1.522 CCOCCN1CCC1C(=O)O 269956a_100000021838_100000210147 [0,0,0,1,0,0|2,0,0]=3 7523 B12R1.522 CCSCCN1CCC1C(=O)O 269956a_100000021838_100000757381 [0,0,0,1,0,0|2,0,0]=3 7524 B12R1.522 COCCCN1CCC1C(=O)O 269956a_100000021838_100000740836 [0,0,0,1,0,0|2,0,0]=3 7525 B12R1.522 N#CCCCN1CCC1C(=O)O 269956a_100000021838_100000687738 [0,0,0,1,0,0|2,0,1]=4 7526 B12R1.522 O=C(O)C1CCN1CCCCF 269956a_100000021838_100000729493 [0,0,0,1,0,0|2,0,0]=3 7527 B12R1.522 O=C(O)C1CCN1CCCCO 269956a_100000021838_100000210776 [0,0,0,1,0,0|2,0,0]=3 7528 B12R1.522 O=CCCCN1CCC1C(=O)O 269956a_100000021838_200011292268 [0,0,0,1,0,0|2,0,1]=4 7529 B12R1.1335 CC(=O)N1CCCCCCCC1 11a_100000039187_100015343762 [0,0,0,1,0,0|2,0,0]=3 7530 B12R1.1335 CC(=O)N1CCCCCCCC1 1626a_100000039187_100015343762 [0,0,0,1,0,0|2,0,0]=3 7531 B12R1.1335 CC(=O)N1CCCCCCCC1 240690a_100000039187_100015343762 [0,0,0,1,0,0|2,0,0]=3 7532 B12R1.1335 CC(=O)N1CCCCCCCC1 527a_100000039187_100103153847 [0,0,0,1,0,0|2,0,0]=3 7533 B12R1.1335 CN(C)C1CCCCCCCC1 270004a_100102631434_100000038600 [0,0,0,1,0,0|3,0,0]=4 7534 B12R1.1343 C=C(C)CCN1CCCCCC1 2230a_100000185865_100000730704 [0,0,0,1,0,0|3,0,0]=4 7535 B12R1.1343 C=C(C)CCN1CCCCCC1 269982a_100000185865_100000730704 [0,0,0,1,0,0|3,0,0]=4 7536 B12R1.1343 C=C(C)CCN1CCCCCC1 34a_100000185865_100000730704 [0,0,0,1,0,0|3,0,0]=4 7537 B12R1.1343 C=C(C)CNC1CCCCCC1 2230a_100000210984_100000748629 [0,0,0,1,0,0|3,0,0]=4 7538 B12R1.1343 C=C(C)CNC1CCCCCC1 34a_100000210984_100000748629 [0,0,0,1,0,0|3,0,0]=4 7539 B12R1.1343 C=C(C)COC1CCCCCC1 34a_100000210245_100011217769 [0,0,0,1,0,0|3,0,0]=4 7540 B12R1.1343 C=C(C)COC1CCCCCC1 34a_100000210887_100000748629 [0,0,0,1,0,0|3,0,0]=4 7541 B12R1.1343 C=C(C)COC1CCCCCC1 7a_100000210887_100000748629 [0,0,0,1,0,0|3,0,0]=4 7542 B12R1.1343 C=C(C)CSC1CCCCCC1 62a_100000748629_100011217769 [0,0,0,1,0,0|3,0,0]=4 7543 B12R1.1343 C=C(C)CSC1CCCCCC1 62a_100011217769_100000211660 [0,0,0,1,0,0|3,0,0]=4 7544 B12R1.1343 C=C(F)CNC1CCCCCC1 2230a_100000210984_100009893438 [0,0,0,1,0,0|3,0,0]=4 7545 B12R1.1343 C=C(F)CNC1CCCCCC1 34a_100000210984_100009893438 [0,0,0,1,0,0|3,0,0]=4 7546 B12R1.1343 C=C(F)COC1CCCCCC1 34a_100000210887_100009893438 [0,0,0,1,0,0|3,0,0]=4 7547 B12R1.1343 C=C(F)COC1CCCCCC1 34a_200010262243_100011217769 [0,0,0,1,0,0|3,0,0]=4 7548 B12R1.1343 C=C(F)COC1CCCCCC1 7a_100000210887_100000042424 [0,0,0,1,0,0|3,0,0]=4 7549 B12R1.1343 C=C(F)CSC1CCCCCC1 62a_100000042424_100011217769 [0,0,0,1,0,0|3,0,0]=4 7550 B12R1.1343 C=C(F)CSC1CCCCCC1 62a_100011217769_100000042424 [0,0,0,1,0,0|3,0,0]=4 7551 B12R1.1343 CC(=O)CCN1CCCCCC1 1458a_100000070787_100000722644 [0,0,0,1,0,0|2,0,0]=3 7552 B12R1.1343 CC(=O)CCN1CCCCCC1 1458a_100000740320_200000210301 [0,0,0,1,0,0|2,0,0]=3 7553 B12R1.1343 CC(=O)CCN1CCCCCC1 269982a_100000185865_100000053229 [0,0,0,1,0,0|2,0,0]=3 7554 B12R1.1343 CC(=O)CCN1CCCOCC1 269982a_100000685342_100000053229 [0,0,0,1,0,0|3,0,0]=4 7555 B12R1.1343 CC(=O)COC1CCCCCC1 34a_100000211253_100011217769 [0,0,0,1,0,0|2,0,0]=3 7556 B12R1.1343 CC(=O)NCC1CCCCCC1 11a_100015204231_100015343762 [0,0,0,1,0,0|2,0,0]=3 7557 B12R1.1343 CC(=O)NCC1CCCCCC1 1626a_100015204231_100015343762 [0,0,0,1,0,0|2,0,0]=3 7558 B12R1.1343 CC(=O)NCC1CCCCCC1 240690a_100015204231_100015343762 [0,0,0,1,0,0|2,0,0]=3 7559 B12R1.1343 CC(=O)NCC1CCCCCC1 527a_100015204231_100103153847 [0,0,0,1,0,0|2,0,0]=3 7560 B12R1.1343 CC(=O)OCN1CCCCCC1 269982a_100000185865_100000076356 [0,0,0,1,0,0|3,0,0]=4 7561 B12R1.1343 CC(=O)OCN1CCCCCC1 34a_100000185865_100009813279 [0,0,0,1,0,0|3,0,0]=4 7562 B12R1.1343 CC(O)CCN1CCCCCC1 2230a_100000185865_100012276601 [0,0,0,1,0,0|2,0,1]=4 7563 B12R1.1343 CC(O)CCN1CCCCCC1 269982a_100000185865_100012276601 [0,0,0,1,0,0|2,0,1]=4 7564 B12R1.1343 CC(O)CCN1CCCCCC1 34a_100000185865_100012276601 [0,0,0,1,0,0|2,0,1]=4 7565 B12R1.1343 CC(O)CNC1CCCCCC1 2230a_100000210984_100011218427 [0,0,0,1,0,0|2,0,1]=4 7566 B12R1.1343 CC(O)CNC1CCCCCC1 270004a_100000210904_100000210131 [0,0,0,1,0,0|2,0,1]=4 7567 B12R1.1343 CC(O)CNC1CCCCCC1 34a_100000210904_100011217769 [0,0,0,1,0,0|2,0,1]=4 7568 B12R1.1343 CC(O)CNC1CCCCCC1 34a_100000210984_100011218427 [0,0,0,1,0,0|2,0,1]=4 7569 B12R1.1343 CC(O)COC1CCCCCC1 34a_100000210887_100011218427 [0,0,0,1,0,0|2,0,1]=4 7570 B12R1.1343 CC(O)COC1CCCCCC1 7a_100000210887_100011218427 [0,0,0,1,0,0|2,0,1]=4 7571 B12R1.1343 CC(O)CSC1CCCCCC1 62a_100011217769_100011218427 [0,0,0,1,0,0|2,0,1]=4 7572 B12R1.1343 CC(O)CSC1CCCCCC1 62a_100011218427_100011217769 [0,0,0,1,0,0|2,0,1]=4 7573 B12R1.1343 C[C@@H](O)CNC1CCCCCC1 2230a_100000210984_100009817552 [0,0,0,1,0,0|2,0,1]=4 7574 B12R1.1343 C[C@@H](O)CNC1CCCCCC1 34a_100000210984_100009817552 [0,0,0,1,0,0|2,0,1]=4 7575 B12R1.1343 C[C@@H](O)COC1CCCCCC1 34a_100000210887_100009817552 [0,0,0,1,0,0|2,0,1]=4 7576 B12R1.1343 C[C@@H](O)COC1CCCCCC1 7a_100000210887_100009817552 [0,0,0,1,0,0|2,0,1]=4 7577 B12R1.1343 C[C@@H](O)CSC1CCCCCC1 62a_100009817552_100011217769 [0,0,0,1,0,0|2,0,1]=4 7578 B12R1.1343 C[C@@H](O)CSC1CCCCCC1 62a_100011217769_100009817552 [0,0,0,1,0,0|2,0,1]=4 7579 B12R1.1343 NC(=O)CCN1CCCCCC1 2230a_100000185865_100000744528 [0,0,0,1,0,0|2,0,0]=3 7580 B12R1.1343 NC(=O)CCN1CCCCCC1 269982a_100000185865_100000744528 [0,0,0,1,0,0|2,0,0]=3 7581 B12R1.1343 NC(=O)CCN1CCCCCC1 34a_100000185865_100000731001 [0,0,0,1,0,0|2,0,0]=3 7582 B12R1.1343 NC(=O)CCN1CCCOCC1 2230a_100000685342_100000744528 [0,0,0,1,0,0|3,0,0]=4 7583 B12R1.1343 NC(=O)CCN1CCCOCC1 269982a_100000685342_100000744528 [0,0,0,1,0,0|3,0,0]=4 7584 B12R1.1343 NC(=O)CCN1CCCOCC1 34a_100000685342_100000731001 [0,0,0,1,0,0|3,0,0]=4 7585 B12R1.1343 NC(=O)CNC1CCCCCC1 2230a_100000210984_100000747473 [0,0,0,1,0,0|2,0,0]=3 7586 B12R1.1343 NC(=O)CNC1CCCCCC1 34a_100000210984_100000187820 [0,0,0,1,0,0|2,0,0]=3 7587 B12R1.1343 NC(=O)COC1CCCCCC1 34a_100000210887_100000187820 [0,0,0,1,0,0|2,0,0]=3 7588 B12R1.1343 NC(=O)COC1CCCCCC1 7a_100000210887_100000187820 [0,0,0,1,0,0|2,0,0]=3 7589 B12R1.1343 NC(=O)CSC1CCCCCC1 62a_100000747473_100011217769 [0,0,0,1,0,0|2,0,0]=3 7590 B12R1.1343 NC(=O)CSC1CCCCCC1 62a_100011217769_100000747473 [0,0,0,1,0,0|2,0,0]=3 7591 B12R1.1343 O=C(O)CNC1CCCCCC1 269956a_100016091260_100011217769 [0,0,0,1,0,0|1,0,0]=2 7592 B12R1.1343 O=C([O-])CNC1CCCCCC1 34a_100000210984_100020667443 [0,0,0,1,0,0|1,0,1]=3 7593 B12R1.1343 O=C([O-])COC1CCCCCC1 34a_100000210887_100020667443 [0,0,0,1,0,0|1,0,1]=3 7594 B12R1.1343 O=C([O-])CSC1CCCCCC1 62a_100011217769_100020667443 [0,0,0,1,0,0|1,0,1]=3 7595 B12R1.1343 O=C([O-])CSC1CCCCCC1 62a_100020667443_100011217769 [0,0,0,1,0,0|1,0,1]=3 7596 B12R1.1343 O=[N+]([O-])CNC1CCCCCC1 34a_100000210984_100000761209 [0,0,0,1,0,0|2,0,1]=4 7597 B12R1.1343 O=[N+]([O-])COC1CCCCCC1 34a_100000210887_100000761209 [0,0,0,1,0,0|2,0,1]=4 7598 B12R1.1343 O=[N+]([O-])CSC1CCCCCC1 62a_100011217769_100000761209 [0,0,0,1,0,0|2,0,1]=4 7599 B12R1.1343 [13CH3]C(=O)CCN1CCCCCC1 1458a_100000740320_200025704644 [0,0,0,1,0,0|2,0,0]=3 7600 B12R1.1392 C=C(C)CN1CCCCCCC1 2230a_100000211400_100000748629 [0,0,0,1,0,0|3,0,0]=4 7601 B12R1.1392 C=C(C)CN1CCCCCCC1 269982a_100000211400_100000748629 [0,0,0,1,0,0|3,0,0]=4 7602 B12R1.1392 C=C(C)CN1CCCCCCC1 34a_100000211400_100000748629 [0,0,0,1,0,0|3,0,0]=4 7603 B12R1.1392 C=C(F)CN1CCCCCCC1 2230a_100000211400_100009893438 [0,0,0,1,0,0|3,0,0]=4 7604 B12R1.1392 C=C(F)CN1CCCCCCC1 269982a_100000211400_100009893438 [0,0,0,1,0,0|3,0,0]=4 7605 B12R1.1392 C=C(F)CN1CCCCCCC1 34a_100000211400_100009893438 [0,0,0,1,0,0|3,0,0]=4 7606 B12R1.1392 CC(=O)NC1CCCCCCC1 11a_100000211152_100015343762 [0,0,0,1,0,0|2,0,0]=3 7607 B12R1.1392 CC(=O)NC1CCCCCCC1 1626a_100000211152_100015343762 [0,0,0,1,0,0|2,0,0]=3 7608 B12R1.1392 CC(=O)NC1CCCCCCC1 240690a_100000211152_100015343762 [0,0,0,1,0,0|2,0,0]=3 7609 B12R1.1392 CC(=O)NC1CCCCCCC1 527a_100000211152_100103153847 [0,0,0,1,0,0|2,0,0]=3 7610 B12R1.1392 CC(O)CN1CCCCCCC1 2230a_100000211400_100011218427 [0,0,0,1,0,0|2,0,1]=4 7611 B12R1.1392 CC(O)CN1CCCCCCC1 269982a_100000211400_100011218427 [0,0,0,1,0,0|2,0,1]=4 7612 B12R1.1392 CC(O)CN1CCCCCCC1 34a_100000211400_100011218427 [0,0,0,1,0,0|2,0,1]=4 7613 B12R1.1392 C[C@@H](O)CN1CCCCCCC1 2230a_100000211400_100009817552 [0,0,0,1,0,0|2,0,1]=4 7614 B12R1.1392 C[C@@H](O)CN1CCCCCCC1 269982a_100000211400_100009817552 [0,0,0,1,0,0|2,0,1]=4 7615 B12R1.1392 C[C@@H](O)CN1CCCCCCC1 34a_100000211400_100009817552 [0,0,0,1,0,0|2,0,1]=4 7616 B12R1.1392 NC(=O)CN1CCCCCCC1 2230a_100000211400_100000747473 [0,0,0,1,0,0|2,0,0]=3 7617 B12R1.1392 NC(=O)CN1CCCCCCC1 269982a_100000211400_100000187820 [0,0,0,1,0,0|2,0,0]=3 7618 B12R1.1392 NC(=O)CN1CCCCCCC1 34a_100000211400_100000187820 [0,0,0,1,0,0|2,0,0]=3 7619 B12R1.1392 O=C([O-])CN1CCCCCCC1 269982a_100000211400_100020667443 [0,0,0,1,0,0|1,0,1]=3 7620 B12R1.1392 O=C([O-])CN1CCCCCCC1 34a_100000211400_100020667443 [0,0,0,1,0,0|1,0,1]=3 7621 B12R1.1392 O=[N+]([O-])CN1CCCCCCC1 269982a_100000211400_100000761209 [0,0,0,1,0,0|2,0,1]=4 7622 B12R1.1392 O=[N+]([O-])CN1CCCCCCC1 34a_100000211400_100000761209 [0,0,0,1,0,0|2,0,1]=4 7623 B9R0.2 CC(=O)CCCCCCF 1458a_100000070787_100015922095 [2,0,0,0,0,0|2,0,0]=4 7624 B9R0.2 CC(=O)CCCCCCO 1458a_100000070787_100000766143 [2,0,0,0,0,0|2,0,0]=4 7625 B9R0.2 CC(=O)CCCCCCO 1458a_100011996774_200000210301 [2,0,0,0,0,0|2,0,0]=4 7626 B9R0.2 CCCCCCCC(=O)C 1458a_100000070787_100000210614 [2,0,0,0,0,0|1,0,0]=3 7627 B9R0.2 CCCCCCCC(=O)C 1458a_100000211969_200000210301 [2,0,0,0,0,0|1,0,0]=3 7628 B9R0.2 CCCCCCCC(=O)[13CH3] 1458a_100000211969_200025704644 [2,0,0,0,0,0|1,0,0]=3 7629 B9R0.2 CCCCCCNC(=O)C 11a_100000210581_100015343762 [2,0,0,0,0,0|2,0,0]=4 7630 B9R0.2 CCCCCCNC(=O)C 1626a_100000210581_100015343762 [2,0,0,0,0,0|2,0,0]=4 7631 B9R0.2 CCCCCCNC(=O)C 240690a_100000210581_100015343762 [2,0,0,0,0,0|2,0,0]=4 7632 B9R0.2 CCCCCCNC(=O)C 527a_100000210581_100103153847 [2,0,0,0,0,0|2,0,0]=4 7633 B9R0.2 CCCCCNCC(=O)N 2230a_100000209983_100000747473 [2,0,0,0,0,0|2,0,0]=4 7634 B9R0.2 CCCCCNCC(=O)N 2230a_100000711301_100000210326 [2,0,0,0,0,0|2,0,0]=4 7635 B9R0.2 CCCCCNCC(=O)O 269956a_100016091260_100000210326 [2,0,0,0,0,0|1,0,0]=3 7636 B9R0.2 CCCCCOCC(=O)C 34a_100000211253_100000718602 [2,0,0,0,0,0|2,0,0]=4 7637 B9R0.2 CCCCCOCC(=O)N 34a_100000210253_100000187820 [2,0,0,0,0,0|2,0,0]=4 7638 B9R0.2 CCCCCOCC(=O)N 7a_100000210253_100000187820 [2,0,0,0,0,0|2,0,0]=4 7639 B9R0.2 CCCCCOCC(=O)[O-] 34a_100000210253_100020667443 [2,0,0,0,0,0|1,0,1]=4 7640 B9R0.2 CCCCCSCC(=O)N 62a_100000210326_100000747473 [2,0,0,0,0,0|2,0,0]=4 7641 B9R0.2 CCCCCSCC(=O)N 62a_100000747473_100000210326 [2,0,0,0,0,0|2,0,0]=4 7642 B9R0.2 CCCCCSCC(=O)[O-] 62a_100000210326_100020667443 [2,0,0,0,0,0|1,0,1]=4 7643 B9R0.2 CCCCCSCC(=O)[O-] 62a_100020667443_100000210326 [2,0,0,0,0,0|1,0,1]=4 7644 B9R0.2 CCCCNCCC(=O)C 7a_106832991798_100000053229 [2,0,0,0,0,0|2,0,0]=4 7645 B9R0.2 CCCCNCCC(=O)N 2230a_100000102301_100000744528 [2,0,0,0,0,0|2,0,0]=4 7646 B9R0.2 CCCCNCCC(=O)N 7a_106832991798_100000744528 [2,0,0,0,0,0|2,0,0]=4 7647 B9R0.2 CCCCNOCC(=O)O 269956a_100000106656_100000210211 [2,0,0,0,0,0|2,0,0]=4 7648 B9R0.2 CCCCOCCC(=O)C 1458a_100000070787_100000743108 [2,0,0,0,0,0|2,0,0]=4 7649 B9R0.2 CCCCOCCC(=O)C 34a_100000759926_100000210210 [2,0,0,0,0,0|2,0,0]=4 7650 B9R0.2 CCCCOCCC(=O)C 7a_100000210227_100000053229 [2,0,0,0,0,0|2,0,0]=4 7651 B9R0.2 CCCCOCCC(=O)C 7a_100000759926_100000210211 [2,0,0,0,0,0|2,0,0]=4 7652 B9R0.2 CCCCOCCC(=O)N 34a_100000210227_100000731001 [2,0,0,0,0,0|2,0,0]=4 7653 B9R0.2 CCCCOCCC(=O)N 34a_100000757172_100000210210 [2,0,0,0,0,0|2,0,0]=4 7654 B9R0.2 CCCCOCCC(=O)N 7a_100000210227_100000744528 [2,0,0,0,0,0|2,0,0]=4 7655 B9R0.2 CCCCOCCC(=O)N 7a_100000757172_100000210211 [2,0,0,0,0,0|2,0,0]=4 7656 B9R0.2 CCCCSCCC(=O)C 62a_100000053229_100000210210 [2,0,0,0,0,0|2,0,0]=4 7657 B9R0.2 CCCCSCCC(=O)C 62a_100000210211_100000053229 [2,0,0,0,0,0|2,0,0]=4 7658 B9R0.2 CCCCSCCC(=O)N 62a_100000210211_100000744528 [2,0,0,0,0,0|2,0,0]=4 7659 B9R0.2 CCCCSCCC(=O)N 62a_100000744528_100000210210 [2,0,0,0,0,0|2,0,0]=4 7660 B9R0.2 CCCNCCCC(=O)N 34a_100000739312_100000210303 [2,0,0,0,0,0|2,0,0]=4 7661 B9R0.2 CCCOCCCC(=O)C 34a_100000210258_100000685027 [2,0,0,0,0,0|2,0,0]=4 7662 B9R0.2 CCCOCCCC(=O)C 34a_100000759063_100000210303 [2,0,0,0,0,0|2,0,0]=4 7663 B9R0.2 CCCOCCCC(=O)C 7a_100000759063_100000210303 [2,0,0,0,0,0|2,0,0]=4 7664 B9R0.2 CCCOCCCC(=O)N 34a_100000210258_100102525003 [2,0,0,0,0,0|2,0,0]=4 7665 B9R0.2 CCCSCCCC(=O)C 62a_100000210303_100011215641 [2,0,0,0,0,0|2,0,0]=4 7666 B9R0.2 CCCSCCCC(=O)C 62a_100011215641_100000210303 [2,0,0,0,0,0|2,0,0]=4 7667 B9R0.2 CCCSCCCC(=O)N 62a_100000210303_100102525003 [2,0,0,0,0,0|2,0,0]=4 7668 B9R0.2 CCCSCCCC(=O)N 62a_100102525003_100000210303 [2,0,0,0,0,0|2,0,0]=4 7669 B9R0.2 CCNCCCCC(=O)N 34a_100000696515_100000210202 [2,0,0,0,0,0|2,0,0]=4 7670 B9R0.2 CCNCCOCC(=O)O 269956a_100000700818_100000210202 [2,0,0,0,0,0|2,0,0]=4 7671 B9R0.2 CCOCCCCC(=O)C 34a_100121572206_100009817362 [2,0,0,0,0,0|2,0,0]=4 7672 B9R0.2 CCOCCCCC(=O)N 34a_100012022536_100000210202 [2,0,0,0,0,0|2,0,0]=4 7673 B9R0.2 CCOCCCCC(=O)N 7a_100012022536_100000210202 [2,0,0,0,0,0|2,0,0]=4 7674 B9R0.2 CCOCCNCC(=O)O 269956a_100016091260_100000210147 [2,0,0,0,0,0|2,0,0]=4 7675 B9R0.2 CCSCCCCC(=O)C 62a_100000210202_100000735457 [2,0,0,0,0,0|2,0,0]=4 7676 B9R0.2 CCSCCCCC(=O)C 62a_100000735457_100000210202 [2,0,0,0,0,0|2,0,0]=4 7677 B9R0.2 CCSCCNCC(=O)O 269956a_100016091260_100000757381 [2,0,0,0,0,0|2,0,0]=4 7678 B9R0.2 CNCCCCCC(=O)N 2230a_106832991635_100009817443 [2,0,0,0,0,0|2,0,0]=4 7679 B9R0.2 CNCCCCCC(=O)N 34a_100102657272_100009817443 [2,0,0,0,0,0|2,0,0]=4 7680 B9R0.2 CNCCCCCC(=O)N 7a_106832991635_100009817443 [2,0,0,0,0,0|2,0,0]=4 7681 B9R0.2 COCCCCCC(=O)C 1458a_100011935119_200000210301 [2,0,0,0,0,0|2,0,0]=4 7682 B9R0.2 COCCCCCC(=O)N 34a_100000123541_200000210301 [2,0,0,0,0,0|2,0,0]=4 7683 B9R0.2 COCCCCCC(=O)N 34a_100138415774_100009817443 [2,0,0,0,0,0|2,0,0]=4 7684 B9R0.2 COCCCCCC(=O)N 7a_100000123541_200000210301 [2,0,0,0,0,0|2,0,0]=4 7685 B9R0.2 COCCCCCC(=O)[13CH3] 1458a_100011935119_200025704644 [2,0,0,0,0,0|2,0,0]=4 7686 B9R0.2 COCCCCCC(=O)[O-] 7a_100102619762_200000210301 [2,0,0,0,0,0|1,0,1]=4 7687 B9R0.2 COCCCNCC(=O)O 269956a_100016091260_100000740836 [2,0,0,0,0,0|2,0,0]=4 7688 B9R0.2 CSCCCCCC(=O)N 62a_100009817443_200000210301 [2,0,0,0,0,0|2,0,0]=4 7689 B9R0.2 CSCCCCCC(=O)N 62a_200000210301_100009817443 [2,0,0,0,0,0|2,0,0]=4 7690 B9R0.2 O=C(O)CNCCCCF 269956a_100016091260_100000729493 [2,0,0,0,0,0|2,0,0]=4 7691 B9R0.2 O=C(O)CNCCCCO 269956a_100016091260_100000210776 [2,0,0,0,0,0|2,0,0]=4 7692 B9R0.2 [13CH3]C(=O)CCCCCCO 1458a_100011996774_200025704644 [2,0,0,0,0,0|2,0,0]=4 7693 B9R0.2 [13CH3]OCCCCCC(=O)N 34a_100000123541_200025704644 [2,0,0,0,0,0|2,0,0]=4 7694 B9R0.2 [13CH3]OCCCCCC(=O)N 7a_100000123541_200025704644 [2,0,0,0,0,0|2,0,0]=4 7695 B9R0.2 [13CH3]OCCCCCC(=O)[O-] 7a_100102619762_200025704644 [2,0,0,0,0,0|1,0,1]=4 7696 B9R0.2 [13CH3]SCCCCCC(=O)N 62a_100009817443_200025704644 [2,0,0,0,0,0|2,0,0]=4 7697 B9R0.2 [13CH3]SCCCCCC(=O)N 62a_200025704644_100009817443 [2,0,0,0,0,0|2,0,0]=4 7698 B9R0.45 C=CCCCCCCNC 2230a_106832991635_100011215473 [2,0,0,0,0,0|1,0,1]=4 7699 B9R0.45 C=CCCCCCCNC 34a_100102657272_100011215473 [2,0,0,0,0,0|1,0,1]=4 7700 B9R0.45 C=CCCCCCCNC 7a_106832991635_100011215473 [2,0,0,0,0,0|1,0,1]=4 7701 B9R0.45 C=CCCCCCCOC 34a_100138415774_100011215473 [2,0,0,0,0,0|1,0,1]=4 7702 B9R0.45 C=CCCCCCCOC 34a_200011216477_200000210301 [2,0,0,0,0,0|1,0,1]=4 7703 B9R0.45 C=CCCCCCCOC 7a_200011216477_200000210301 [2,0,0,0,0,0|1,0,1]=4 7704 B9R0.45 C=CCCCCCCO[13CH3] 34a_200011216477_200025704644 [2,0,0,0,0,0|1,0,1]=4 7705 B9R0.45 C=CCCCCCCO[13CH3] 7a_200011216477_200025704644 [2,0,0,0,0,0|1,0,1]=4 7706 B9R0.45 C=CCCCCCCSC 62a_100011215473_200000210301 [2,0,0,0,0,0|1,0,1]=4 7707 B9R0.45 C=CCCCCCCSC 62a_200000210301_100011215473 [2,0,0,0,0,0|1,0,1]=4 7708 B9R0.45 C=CCCCCCCS[13CH3] 62a_100011215473_200025704644 [2,0,0,0,0,0|1,0,1]=4 7709 B9R0.45 C=CCCCCCCS[13CH3] 62a_200025704644_100011215473 [2,0,0,0,0,0|1,0,1]=4 7710 B9R0.45 C=CCCCCCNCC 2230a_100015525214_100000700193 [2,0,0,0,0,0|1,0,1]=4 7711 B9R0.45 C=CCCCCCOCC 34a_100011216702_100000210202 [2,0,0,0,0,0|1,0,1]=4 7712 B9R0.45 C=CCCCCCOCC 34a_100121572206_100000700193 [2,0,0,0,0,0|1,0,1]=4 7713 B9R0.45 C=CCCCCCOCC 7a_100011216702_100000210202 [2,0,0,0,0,0|1,0,1]=4 7714 B9R0.45 C=CCCCCCSCC 62a_100000210202_100000700193 [2,0,0,0,0,0|1,0,1]=4 7715 B9R0.45 C=CCCCCCSCC 62a_100000700193_100000210202 [2,0,0,0,0,0|1,0,1]=4 7716 B9R0.45 C=CCCCCNCCC 2230a_100000703577_100000210303 [2,0,0,0,0,0|1,0,1]=4 7717 B9R0.45 C=CCCCCNCCC 34a_100000703577_100000210303 [2,0,0,0,0,0|1,0,1]=4 7718 B9R0.45 C=CCCCCOCCC 34a_100000210258_100011215482 [2,0,0,0,0,0|1,0,1]=4 7719 B9R0.45 C=CCCCCOCCC 34a_100000766645_100000210303 [2,0,0,0,0,0|1,0,1]=4 7720 B9R0.45 C=CCCCCOCCC 7a_100000766645_100000210303 [2,0,0,0,0,0|1,0,1]=4 7721 B9R0.45 C=CCCCCSCCC 62a_100000210303_100011215482 [2,0,0,0,0,0|1,0,1]=4 7722 B9R0.45 C=CCCCCSCCC 62a_100011215482_100000210303 [2,0,0,0,0,0|1,0,1]=4 7723 B9R0.45 C=CCCCNCCCC 2230a_100000102301_100011713584 [2,0,0,0,0,0|1,0,1]=4 7724 B9R0.45 C=CCCCNCCCC 2230a_100000700776_100000210211 [2,0,0,0,0,0|1,0,1]=4 7725 B9R0.45 C=CCCCNCCCC 34a_100000700776_100000210210 [2,0,0,0,0,0|1,0,1]=4 7726 B9R0.45 C=CCCCNCCCC 7a_106832991798_100000757094 [2,0,0,0,0,0|1,0,1]=4 7727 B9R0.45 C=CCCCOCCCC 34a_100000210227_100000757094 [2,0,0,0,0,0|1,0,1]=4 7728 B9R0.45 C=CCCCOCCCC 34a_100000758997_100000210210 [2,0,0,0,0,0|1,0,1]=4 7729 B9R0.45 C=CCCCOCCCC 7a_100000210227_100000757094 [2,0,0,0,0,0|1,0,1]=4 7730 B9R0.45 C=CCCCOCCCC 7a_100000758997_100000210211 [2,0,0,0,0,0|1,0,1]=4 7731 B9R0.45 C=CCCCSCCCC 62a_100000210211_100000757094 [2,0,0,0,0,0|1,0,1]=4 7732 B9R0.45 C=CCCCSCCCC 62a_100011713584_100000210210 [2,0,0,0,0,0|1,0,1]=4 7733 B9R0.45 C=CCCNCCCCC 2230a_100000209983_100000754431 [2,0,0,0,0,0|1,0,1]=4 7734 B9R0.45 C=CCCNCCCCC 2230a_100015191253_100000210326 [2,0,0,0,0,0|1,0,1]=4 7735 B9R0.45 C=CCCOCCCCC 34a_100000210253_100000754431 [2,0,0,0,0,0|1,0,1]=4 7736 B9R0.45 C=CCCOCCCCC 34a_100011205117_100000718602 [2,0,0,0,0,0|1,0,1]=4 7737 B9R0.45 C=CCCOCCCCC 7a_100000210253_100000754431 [2,0,0,0,0,0|1,0,1]=4 7738 B9R0.45 C=CCCSCCCCC 62a_100000210326_100000754431 [2,0,0,0,0,0|1,0,1]=4 7739 B9R0.45 C=CCCSCCCCC 62a_100000754431_100000210326 [2,0,0,0,0,0|1,0,1]=4 7740 B9R0.45 C=CCNCCCCCC 2230a_100000210581_100000210623 [2,0,0,0,0,0|1,0,1]=4 7741 B9R0.45 C=CCNCCCCCC 2230a_100020586998_100000210314 [2,0,0,0,0,0|1,0,1]=4 7742 B9R0.45 C=CCOCCCCCC 34a_100000210259_100015514636 [2,0,0,0,0,0|1,0,1]=4 7743 B9R0.45 C=CCOCCCCCC 34a_200000210373_100000210314 [2,0,0,0,0,0|1,0,1]=4 7744 B9R0.45 C=CCOCCCCCC 7a_100000210259_100015514636 [2,0,0,0,0,0|1,0,1]=4 7745 B9R0.45 C=CCSCCCCCC 62a_100000210314_100000210623 [2,0,0,0,0,0|1,0,1]=4 7746 B9R0.45 C=CCSCCCCCC 62a_100000210623_100000210757 [2,0,0,0,0,0|1,0,1]=4 7747 B9R0.45 CCCCCCCCNC 2230a_100000229939_200000210301 [2,0,0,0,0,0|1,0,1]=4 7748 B9R0.45 CCCCCCCCNC 2230a_106832991635_100000210759 [2,0,0,0,0,0|1,0,1]=4 7749 B9R0.45 CCCCCCCCNC 34a_100000229939_200000210301 [2,0,0,0,0,0|1,0,1]=4 7750 B9R0.45 CCCCCCCCNC 34a_100102657272_100000210759 [2,0,0,0,0,0|1,0,1]=4 7751 B9R0.45 CCCCCCCCNC 7a_106832991635_100000210759 [2,0,0,0,0,0|1,0,1]=4 7752 B9R0.45 CCCCCCCCN[13CH3] 2230a_100000229939_200025704644 [2,0,0,0,0,0|1,0,1]=4 7753 B9R0.45 CCCCCCCCN[13CH3] 34a_100000229939_200025704644 [2,0,0,0,0,0|1,0,1]=4 7754 B9R0.45 CCCCCCCCOC 34a_100000210232_200000210301 [2,0,0,0,0,0|1,0,1]=4 7755 B9R0.45 CCCCCCCCOC 34a_100138415774_100000210759 [2,0,0,0,0,0|1,0,1]=4 7756 B9R0.45 CCCCCCCCOC 7a_100000210232_200000210301 [2,0,0,0,0,0|1,0,1]=4 7757 B9R0.45 CCCCCCCCO[13CH3] 34a_100000210232_200025704644 [2,0,0,0,0,0|1,0,1]=4 7758 B9R0.45 CCCCCCCCO[13CH3] 7a_100000210232_200025704644 [2,0,0,0,0,0|1,0,1]=4 7759 B9R0.45 CCCCCCCCSC 62a_100000210759_200000210301 [2,0,0,0,0,0|1,0,1]=4 7760 B9R0.45 CCCCCCCCSC 62a_200000210301_100000210317 [2,0,0,0,0,0|1,0,1]=4 7761 B9R0.45 CCCCCCCCS[13CH3] 62a_100000210759_200025704644 [2,0,0,0,0,0|1,0,1]=4 7762 B9R0.45 CCCCCCCCS[13CH3] 62a_200025704644_100000210317 [2,0,0,0,0,0|1,0,1]=4 7763 B9R0.45 CCCCCCCNCC 2230a_100000229938_100000210202 [2,0,0,0,0,0|1,0,1]=4 7764 B9R0.45 CCCCCCCNCC 2230a_100015525214_100000210681 [2,0,0,0,0,0|1,0,1]=4 7765 B9R0.45 CCCCCCCOCC 34a_100000210272_100000210202 [2,0,0,0,0,0|1,0,1]=4 7766 B9R0.45 CCCCCCCOCC 34a_100121572206_100000210614 [2,0,0,0,0,0|1,0,1]=4 7767 B9R0.45 CCCCCCCOCC 7a_100000210272_100000210202 [2,0,0,0,0,0|1,0,1]=4 7768 B9R0.45 CCCCCCCOCF 34a_100000210272_100015361967 [2,0,0,0,0,0|2,0,0]=4 7769 B9R0.45 CCCCCCCOCF 7a_100000210272_100015361967 [2,0,0,0,0,0|2,0,0]=4 7770 B9R0.45 CCCCCCCSCC 62a_100000210202_100000210316 [2,0,0,0,0,0|1,0,1]=4 7771 B9R0.45 CCCCCCCSCC 62a_100000210614_100000210202 [2,0,0,0,0,0|1,0,1]=4 7772 B9R0.45 CCCCCCCSCF 62a_100000210614_100015361967 [2,0,0,0,0,0|2,0,0]=4 7773 B9R0.45 CCCCCCCSCF 62a_100015361967_100000210316 [2,0,0,0,0,0|2,0,0]=4 7774 B9R0.45 CCCCCCNCC=O 2230a_100000210581_200015260668 [2,0,0,0,0,0|1,0,0]=3 7775 B9R0.45 CCCCCCNCCC 2230a_100000210581_100000210303 [2,0,0,0,0,0|1,0,1]=4 7776 B9R0.45 CCCCCCNCCF 2230a_100000210581_100011217306 [2,0,0,0,0,0|2,0,0]=4 7777 B9R0.45 CCCCCCNCCF 34a_100000724931_100000210314 [2,0,0,0,0,0|2,0,0]=4 7778 B9R0.45 CCCCCCNCCO 2230a_100000210581_100000211926 [2,0,0,0,0,0|1,0,0]=3 7779 B9R0.45 CCCCCCNCCO 2230a_100016997473_100000210314 [2,0,0,0,0,0|1,0,0]=3 7780 B9R0.45 CCCCCCNCCO 34a_100016990907_100000210314 [2,0,0,0,0,0|1,0,0]=3 7781 B9R0.45 CCCCCCOCC=O 34a_100000210259_200009817547 [2,0,0,0,0,0|1,0,0]=3 7782 B9R0.45 CCCCCCOCC=O 7a_100000210259_200015260668 [2,0,0,0,0,0|1,0,0]=3 7783 B9R0.45 CCCCCCOCCBr 34a_100000211926_100000210314 [2,0,0,0,0,0|2,0,0]=4 7784 B9R0.45 CCCCCCOCCC 34a_100000210258_100000210314 [2,0,0,0,0,0|1,0,1]=4 7785 B9R0.45 CCCCCCOCCC 34a_100000210259_100000210303 [2,0,0,0,0,0|1,0,1]=4 7786 B9R0.45 CCCCCCOCCC 7a_100000210259_100000210303 [2,0,0,0,0,0|1,0,1]=4 7787 B9R0.45 CCCCCCOCCF 34a_100000210259_100011217306 [2,0,0,0,0,0|2,0,0]=4 7788 B9R0.45 CCCCCCOCCF 7a_100000210259_100011217306 [2,0,0,0,0,0|2,0,0]=4 7789 B9R0.45 CCCCCCOCCN 34a_100000210304_100000210314 [2,0,0,0,0,0|2,0,0]=4 7790 B9R0.45 CCCCCCOCCO 34a_100000210259_100000211926 [2,0,0,0,0,0|1,0,0]=3 7791 B9R0.45 CCCCCCOCCO 7a_100000210259_100000211926 [2,0,0,0,0,0|1,0,0]=3 7792 B9R0.45 CCCCCCSCC=O 62a_100000210314_200015260668 [2,0,0,0,0,0|1,0,0]=3 7793 B9R0.45 CCCCCCSCC=O 62a_200015260668_100000210757 [2,0,0,0,0,0|1,0,0]=3 7794 B9R0.45 CCCCCCSCCC 62a_100000210303_100000210757 [2,0,0,0,0,0|1,0,1]=4 7795 B9R0.45 CCCCCCSCCC 62a_100000210314_100000210303 [2,0,0,0,0,0|1,0,1]=4 7796 B9R0.45 CCCCCCSCCF 62a_100000210314_100011217306 [2,0,0,0,0,0|2,0,0]=4 7797 B9R0.45 CCCCCCSCCF 62a_100011217306_100000210757 [2,0,0,0,0,0|2,0,0]=4 7798 B9R0.45 CCCCCCSCCO 62a_100000210314_100000211926 [2,0,0,0,0,0|1,0,0]=3 7799 B9R0.45 CCCCCCSCCO 62a_100000211926_100000210757 [2,0,0,0,0,0|1,0,0]=3 7800 B9R0.45 CCCCCNCCCC 2230a_100000102301_100000210326 [2,0,0,0,0,0|1,0,1]=4 7801 B9R0.45 CCCCCNCCCC 2230a_100000209983_100000210211 [2,0,0,0,0,0|1,0,1]=4 7802 B9R0.45 CCCCCNCCCC 7a_106832991798_100000210326 [2,0,0,0,0,0|1,0,1]=4 7803 B9R0.45 CCCCCNCCCF 2230a_100000209983_100011934791 [2,0,0,0,0,0|2,0,0]=4 7804 B9R0.45 CCCCCNCCCF 2230a_100015189416_100000210326 [2,0,0,0,0,0|2,0,0]=4 7805 B9R0.45 CCCCCNCCCF 34a_100015189416_100000718602 [2,0,0,0,0,0|2,0,0]=4 7806 B9R0.45 CCCCCNCCCO 2230a_100000209983_100000230001 [2,0,0,0,0,0|1,0,0]=3 7807 B9R0.45 CCCCCOCCCBr 34a_100011217188_100000718602 [2,0,0,0,0,0|2,0,0]=4 7808 B9R0.45 CCCCCOCCCC 34a_100000210227_100000718602 [2,0,0,0,0,0|1,0,1]=4 7809 B9R0.45 CCCCCOCCCC 34a_100000210253_100000210210 [2,0,0,0,0,0|1,0,1]=4 7810 B9R0.45 CCCCCOCCCC 7a_100000210227_100000210326 [2,0,0,0,0,0|1,0,1]=4 7811 B9R0.45 CCCCCOCCCC 7a_100000210253_100000210211 [2,0,0,0,0,0|1,0,1]=4 7812 B9R0.45 CCCCCOCCCCl 34a_100000230001_100000718602 [2,0,0,0,0,0|2,0,0]=4 7813 B9R0.45 CCCCCOCCCF 34a_100000210253_100011934791 [2,0,0,0,0,0|2,0,0]=4 7814 B9R0.45 CCCCCOCCCF 34a_100000759539_100000718602 [2,0,0,0,0,0|2,0,0]=4 7815 B9R0.45 CCCCCOCCCF 7a_100000210253_100011934791 [2,0,0,0,0,0|2,0,0]=4 7816 B9R0.45 CCCCCOCCCN 34a_100000182051_100000718602 [2,0,0,0,0,0|2,0,0]=4 7817 B9R0.45 CCCCCOCCCO 34a_100000210253_100000230001 [2,0,0,0,0,0|1,0,0]=3 7818 B9R0.45 CCCCCOCCCO 7a_100000210253_100011215043 [2,0,0,0,0,0|1,0,0]=3 7819 B9R0.45 CCCCCSCCCC 62a_100000210211_100000210326 [2,0,0,0,0,0|1,0,1]=4 7820 B9R0.45 CCCCCSCCCC 62a_100000210326_100000210210 [2,0,0,0,0,0|1,0,1]=4 7821 B9R0.45 CCCCCSCCCF 62a_100000210326_100011934791 [2,0,0,0,0,0|2,0,0]=4 7822 B9R0.45 CCCCCSCCCF 62a_100011934791_100000210326 [2,0,0,0,0,0|2,0,0]=4 7823 B9R0.45 CCCCCSCCCO 62a_100000210326_100011215043 [2,0,0,0,0,0|1,0,0]=3 7824 B9R0.45 CCCCCSCCCO 62a_100011215043_100000210326 [2,0,0,0,0,0|1,0,0]=3 7825 B9R0.45 CCCCNCCCC=O 2230a_100000102301_200011292268 [2,0,0,0,0,0|1,0,0]=3 7826 B9R0.45 CCCCNCCCC=O 7a_106832991798_200011292268 [2,0,0,0,0,0|1,0,0]=3 7827 B9R0.45 CCCCNCCCCF 2230a_100000102301_100000729493 [2,0,0,0,0,0|2,0,0]=4 7828 B9R0.45 CCCCNCCCCF 7a_106832991798_100000729493 [2,0,0,0,0,0|2,0,0]=4 7829 B9R0.45 CCCCNCCCCO 2230a_100000102301_100000210776 [2,0,0,0,0,0|1,0,0]=3 7830 B9R0.45 CCCCNCCCCO 2230a_100000750430_100000210211 [2,0,0,0,0,0|1,0,0]=3 7831 B9R0.45 CCCCNCCCCO 34a_100000750430_100000210210 [2,0,0,0,0,0|1,0,0]=3 7832 B9R0.45 CCCCNCCCCO 7a_106832991798_100000210776 [2,0,0,0,0,0|1,0,0]=3 7833 B9R0.45 CCCCOCCCC=O 7a_100000210227_200011292268 [2,0,0,0,0,0|1,0,0]=3 7834 B9R0.45 CCCCOCCCCBr 34a_100011216708_100000210210 [2,0,0,0,0,0|2,0,0]=4 7835 B9R0.45 CCCCOCCCCCl 34a_100000210776_100000210210 [2,0,0,0,0,0|2,0,0]=4 7836 B9R0.45 CCCCOCCCCCl 7a_100000210776_100000210211 [2,0,0,0,0,0|2,0,0]=4 7837 B9R0.45 CCCCOCCCCF 34a_100000210227_100000729493 [2,0,0,0,0,0|2,0,0]=4 7838 B9R0.45 CCCCOCCCCF 34a_100011995726_100000210210 [2,0,0,0,0,0|2,0,0]=4 7839 B9R0.45 CCCCOCCCCF 7a_100000210227_100000729493 [2,0,0,0,0,0|2,0,0]=4 7840 B9R0.45 CCCCOCCCCF 7a_100011995726_100000210211 [2,0,0,0,0,0|2,0,0]=4 7841 B9R0.45 CCCCOCCCCI 34a_200012148704_100000210210 [2,0,0,0,0,0|2,0,0]=4 7842 B9R0.45 CCCCOCCCCN 34a_100000750430_100000210210 [2,0,0,0,0,0|2,0,0]=4 7843 B9R0.45 CCCCOCCCCO 34a_100000210227_100011216708 [2,0,0,0,0,0|1,0,0]=3 7844 B9R0.45 CCCCOCCCCO 7a_100000210227_100000210776 [2,0,0,0,0,0|1,0,0]=3 7845 B9R0.45 CCCCOCNCCO 2230a_100016997473_100011995733 [2,0,0,0,0,0|2,0,0]=4 7846 B9R0.45 CCCCOCNCCO 34a_100016990907_100011995733 [2,0,0,0,0,0|2,0,0]=4 7847 B9R0.45 CCCCOCSCC=O 62a_100011995733_200015260668 [2,0,0,0,0,0|2,0,0]=4 7848 B9R0.45 CCCCOCSCC=O 62a_200015260668_100011995733 [2,0,0,0,0,0|2,0,0]=4 7849 B9R0.45 CCCCOCSCCO 62a_100000211926_100011995733 [2,0,0,0,0,0|2,0,0]=4 7850 B9R0.45 CCCCOCSCCO 62a_100011995733_100000211926 [2,0,0,0,0,0|2,0,0]=4 7851 B9R0.45 CCCCSCCCC=O 62a_100000210211_200011292268 [2,0,0,0,0,0|1,0,0]=3 7852 B9R0.45 CCCCSCCCC=O 62a_200011292268_100000210210 [2,0,0,0,0,0|1,0,0]=3 7853 B9R0.45 CCCCSCCCCF 62a_100000210211_100000729493 [2,0,0,0,0,0|2,0,0]=4 7854 B9R0.45 CCCCSCCCCF 62a_100000729493_100000210210 [2,0,0,0,0,0|2,0,0]=4 7855 B9R0.45 CCCCSCCCCO 62a_100000210211_100000210776 [2,0,0,0,0,0|1,0,0]=3 7856 B9R0.45 CCCCSCCCCO 62a_100000210776_100000210210 [2,0,0,0,0,0|1,0,0]=3 7857 B9R0.45 CCCNCCCCCO 2230a_100000762737_100000210303 [2,0,0,0,0,0|1,0,0]=3 7858 B9R0.45 CCCNCCCCCO 34a_100000762737_100000210303 [2,0,0,0,0,0|1,0,0]=3 7859 B9R0.45 CCCNCCOCCO 2230a_100000211614_100000210303 [2,0,0,0,0,0|2,0,0]=4 7860 B9R0.45 CCCNCCOCCO 34a_100000211614_100000210303 [2,0,0,0,0,0|2,0,0]=4 7861 B9R0.45 CCCNCCSCCO 2230a_100011219999_100000210303 [2,0,0,0,0,0|2,0,0]=4 7862 B9R0.45 CCCOCCCCCBr 34a_100000746331_100000210303 [2,0,0,0,0,0|2,0,0]=4 7863 B9R0.45 CCCOCCCCCBr 7a_100000746331_100000210303 [2,0,0,0,0,0|2,0,0]=4 7864 B9R0.45 CCCOCCCCCCl 34a_100000746330_100000210303 [2,0,0,0,0,0|2,0,0]=4 7865 B9R0.45 CCCOCCCCCCl 7a_100000746330_100000210303 [2,0,0,0,0,0|2,0,0]=4 7866 B9R0.45 CCCOCCCCCF 34a_100000210258_100000729378 [2,0,0,0,0,0|2,0,0]=4 7867 B9R0.45 CCCOCCCCCI 34a_200012148887_100000210303 [2,0,0,0,0,0|2,0,0]=4 7868 B9R0.45 CCCOCCCCCI 7a_200012148887_100000210303 [2,0,0,0,0,0|2,0,0]=4 7869 B9R0.45 CCCOCCCCCN 34a_100000762737_100000210303 [2,0,0,0,0,0|2,0,0]=4 7870 B9R0.45 CCCOCCCCCO 34a_100000210258_100000746330 [2,0,0,0,0,0|1,0,0]=3 7871 B9R0.45 CCCOCCNCC=O 2230a_100161115042_200015260668 [2,0,0,0,0,0|2,0,0]=4 7872 B9R0.45 CCCOCCNCC=O 34a_100161115042_200009817547 [2,0,0,0,0,0|2,0,0]=4 7873 B9R0.45 CCCOCCNCCO 2230a_100016997473_100011215938 [2,0,0,0,0,0|2,0,0]=4 7874 B9R0.45 CCCOCCNCCO 2230a_100161115042_100000211926 [2,0,0,0,0,0|2,0,0]=4 7875 B9R0.45 CCCOCCNCCO 34a_100016990907_100011215938 [2,0,0,0,0,0|2,0,0]=4 7876 B9R0.45 CCCOCCNCCO 34a_100161115042_100000211926 [2,0,0,0,0,0|2,0,0]=4 7877 B9R0.45 CCCOCCOCC=O 34a_100000752267_200009817547 [2,0,0,0,0,0|2,0,0]=4 7878 B9R0.45 CCCOCCOCC=O 7a_100000752267_200015260668 [2,0,0,0,0,0|2,0,0]=4 7879 B9R0.45 CCCOCCOCCO 34a_100000210258_100000692535 [2,0,0,0,0,0|2,0,0]=4 7880 B9R0.45 CCCOCCOCCO 34a_100000752267_100000211926 [2,0,0,0,0,0|2,0,0]=4 7881 B9R0.45 CCCOCCOCCO 7a_100000752267_100000211926 [2,0,0,0,0,0|2,0,0]=4 7882 B9R0.45 CCCOCCSCC=O 62a_100011215938_200015260668 [2,0,0,0,0,0|2,0,0]=4 7883 B9R0.45 CCCOCCSCC=O 62a_200015260668_100011215938 [2,0,0,0,0,0|2,0,0]=4 7884 B9R0.45 CCCOCCSCCO 62a_100000211926_100011215938 [2,0,0,0,0,0|2,0,0]=4 7885 B9R0.45 CCCOCCSCCO 62a_100011215938_100000211926 [2,0,0,0,0,0|2,0,0]=4 7886 B9R0.45 CCCSCCCCC=O 62a_100000139335_100000210303 [2,0,0,0,0,0|1,0,0]=3 7887 B9R0.45 CCCSCCCCC=O 62a_100000210303_100000139335 [2,0,0,0,0,0|1,0,0]=3 7888 B9R0.45 CCCSCCCCCF 62a_100000210303_100000729378 [2,0,0,0,0,0|2,0,0]=4 7889 B9R0.45 CCCSCCCCCF 62a_100000729378_100000210303 [2,0,0,0,0,0|2,0,0]=4 7890 B9R0.45 CCCSCCCCCO 62a_100000210303_100000746330 [2,0,0,0,0,0|1,0,0]=3 7891 B9R0.45 CCCSCCCCCO 62a_100000746330_100000210303 [2,0,0,0,0,0|1,0,0]=3 7892 B9R0.45 CCCSCCNCC=O 2230a_100020603323_200015260668 [2,0,0,0,0,0|2,0,0]=4 7893 B9R0.45 CCCSCCNCCO 2230a_100020603323_100000211926 [2,0,0,0,0,0|2,0,0]=4 7894 B9R0.45 CCCSCCOCC=O 34a_200000230433_200009817547 [2,0,0,0,0,0|2,0,0]=4 7895 B9R0.45 CCCSCCOCC=O 7a_200000230433_200015260668 [2,0,0,0,0,0|2,0,0]=4 7896 B9R0.45 CCCSCCOCCO 34a_200000230433_100000211926 [2,0,0,0,0,0|2,0,0]=4 7897 B9R0.45 CCCSCCOCCO 62a_100000210303_100011215305 [2,0,0,0,0,0|2,0,0]=4 7898 B9R0.45 CCCSCCOCCO 62a_100011215305_100000210303 [2,0,0,0,0,0|2,0,0]=4 7899 B9R0.45 CCCSCCOCCO 7a_200000230433_100000211926 [2,0,0,0,0,0|2,0,0]=4 7900 B9R0.45 CCNCCCCCC=O 2230a_100015525214_100000139337 [2,0,0,0,0,0|1,0,0]=3 7901 B9R0.45 CCNCCCCCCF 2230a_100015525214_100015922095 [2,0,0,0,0,0|2,0,0]=4 7902 B9R0.45 CCNCCCCCCO 2230a_100000686447_100000210202 [2,0,0,0,0,0|1,0,0]=3 7903 B9R0.45 CCNCCCCCCO 2230a_100015525214_100000766143 [2,0,0,0,0,0|1,0,0]=3 7904 B9R0.45 CCNCCCCCCO 34a_100000686447_100000210202 [2,0,0,0,0,0|1,0,0]=3 7905 B9R0.45 CCOCCCCCCBr 34a_100011215345_100000210202 [2,0,0,0,0,0|2,0,0]=4 7906 B9R0.45 CCOCCCCCCBr 7a_100011215345_100000210202 [2,0,0,0,0,0|2,0,0]=4 7907 B9R0.45 CCOCCCCCCCl 34a_100000766143_100000210202 [2,0,0,0,0,0|2,0,0]=4 7908 B9R0.45 CCOCCCCCCCl 7a_100000766143_100000210202 [2,0,0,0,0,0|2,0,0]=4 7909 B9R0.45 CCOCCCCCCF 34a_100000732779_100000210202 [2,0,0,0,0,0|2,0,0]=4 7910 B9R0.45 CCOCCCCCCF 34a_100121572206_100015922095 [2,0,0,0,0,0|2,0,0]=4 7911 B9R0.45 CCOCCCCCCF 7a_100000732779_100000210202 [2,0,0,0,0,0|2,0,0]=4 7912 B9R0.45 CCOCCCCCCN 34a_100000686447_100000210202 [2,0,0,0,0,0|2,0,0]=4 7913 B9R0.45 CCOCCCCCCO 34a_100121572206_100000766143 [2,0,0,0,0,0|1,0,0]=3 7914 B9R0.45 CCOCCCNCC=O 2230a_100000210961_200015260668 [2,0,0,0,0,0|2,0,0]=4 7915 B9R0.45 CCOCCCNCC=O 34a_100000210961_200009817547 [2,0,0,0,0,0|2,0,0]=4 7916 B9R0.45 CCOCCCNCCO 2230a_100000210961_100000211926 [2,0,0,0,0,0|2,0,0]=4 7917 B9R0.45 CCOCCCNCCO 2230a_100016997473_100012232248 [2,0,0,0,0,0|2,0,0]=4 7918 B9R0.45 CCOCCCNCCO 34a_100000210961_100000211926 [2,0,0,0,0,0|2,0,0]=4 7919 B9R0.45 CCOCCCNCCO 34a_100016990907_100012232248 [2,0,0,0,0,0|2,0,0]=4 7920 B9R0.45 CCOCCCOCC=O 34a_100000757476_200009817547 [2,0,0,0,0,0|2,0,0]=4 7921 B9R0.45 CCOCCCOCC=O 7a_100000757476_200015260668 [2,0,0,0,0,0|2,0,0]=4 7922 B9R0.45 CCOCCCOCCO 34a_100000757476_100000211926 [2,0,0,0,0,0|2,0,0]=4 7923 B9R0.45 CCOCCCOCCO 7a_100000757476_100000211926 [2,0,0,0,0,0|2,0,0]=4 7924 B9R0.45 CCOCCCSCC=O 62a_100012232248_200015260668 [2,0,0,0,0,0|2,0,0]=4 7925 B9R0.45 CCOCCCSCC=O 62a_200015260668_100012232248 [2,0,0,0,0,0|2,0,0]=4 7926 B9R0.45 CCOCCCSCCO 62a_100000211926_100012232248 [2,0,0,0,0,0|2,0,0]=4 7927 B9R0.45 CCOCCCSCCO 62a_100012232248_100000211926 [2,0,0,0,0,0|2,0,0]=4 7928 B9R0.45 CCOCCNCCCO 2230a_102516460346_100000230001 [2,0,0,0,0,0|2,0,0]=4 7929 B9R0.45 CCOCCNCCCO 34a_102516460346_100000230001 [2,0,0,0,0,0|2,0,0]=4 7930 B9R0.45 CCOCCOCCCO 34a_100000210136_100000230001 [2,0,0,0,0,0|2,0,0]=4 7931 B9R0.45 CCOCCOCCCO 7a_100000210136_100011215043 [2,0,0,0,0,0|2,0,0]=4 7932 B9R0.45 CCOCCSCCCO 62a_100000210147_100011215043 [2,0,0,0,0,0|2,0,0]=4 7933 B9R0.45 CCOCCSCCCO 62a_100011215043_100011215890 [2,0,0,0,0,0|2,0,0]=4 7934 B9R0.45 CCOCSCCCC=O 62a_100000739092_200011292268 [2,0,0,0,0,0|2,0,0]=4 7935 B9R0.45 CCOCSCCCC=O 62a_200011292268_100000739092 [2,0,0,0,0,0|2,0,0]=4 7936 B9R0.45 CCOCSCCCCO 62a_100000210776_100000739092 [2,0,0,0,0,0|2,0,0]=4 7937 B9R0.45 CCOCSCCCCO 62a_100000739092_100000210776 [2,0,0,0,0,0|2,0,0]=4 7938 B9R0.45 CCSCCCCCC=O 62a_100000139337_100000210202 [2,0,0,0,0,0|1,0,0]=3 7939 B9R0.45 CCSCCCCCC=O 62a_100000210202_100000139337 [2,0,0,0,0,0|1,0,0]=3 7940 B9R0.45 CCSCCCCCCF 62a_100000210202_100015922095 [2,0,0,0,0,0|2,0,0]=4 7941 B9R0.45 CCSCCCCCCF 62a_100015922095_100000210202 [2,0,0,0,0,0|2,0,0]=4 7942 B9R0.45 CCSCCCCCCO 62a_100000210202_100000766143 [2,0,0,0,0,0|1,0,0]=3 7943 B9R0.45 CCSCCCCCCO 62a_100000766143_100000210202 [2,0,0,0,0,0|1,0,0]=3 7944 B9R0.45 CCSCCCOCC=O 34a_100011216438_200009817547 [2,0,0,0,0,0|2,0,0]=4 7945 B9R0.45 CCSCCCOCC=O 7a_100011216438_200015260668 [2,0,0,0,0,0|2,0,0]=4 7946 B9R0.45 CCSCCCOCCO 34a_100011216438_100000211926 [2,0,0,0,0,0|2,0,0]=4 7947 B9R0.45 CCSCCCOCCO 7a_100011216438_100000211926 [2,0,0,0,0,0|2,0,0]=4 7948 B9R0.45 CCSCCNCCCO 2230a_100000106463_100000230001 [2,0,0,0,0,0|2,0,0]=4 7949 B9R0.45 CCSCCOCCCO 34a_100000212035_100000230001 [2,0,0,0,0,0|2,0,0]=4 7950 B9R0.45 CCSCCOCCCO 7a_100000212035_100011215043 [2,0,0,0,0,0|2,0,0]=4 7951 B9R0.45 CCSCCSCCCO 62a_100000757381_100011215043 [2,0,0,0,0,0|2,0,0]=4 7952 B9R0.45 CCSCCSCCCO 62a_100011215043_100000757381 [2,0,0,0,0,0|2,0,0]=4 7953 B9R0.45 CNCCCCCCCO 2230a_100011996573_200000210301 [2,0,0,0,0,0|1,0,0]=3 7954 B9R0.45 CNCCCCCCCO 2230a_106832991635_100000760002 [2,0,0,0,0,0|1,0,0]=3 7955 B9R0.45 CNCCCCCCCO 34a_100011996573_200000210301 [2,0,0,0,0,0|1,0,0]=3 7956 B9R0.45 CNCCCCCCCO 34a_100102657272_100000760002 [2,0,0,0,0,0|1,0,0]=3 7957 B9R0.45 CNCCCCCCCO 7a_106832991635_100000760002 [2,0,0,0,0,0|1,0,0]=3 7958 B9R0.45 CNCCCOCCCO 2230a_100011310245_200000210301 [2,0,0,0,0,0|2,0,0]=4 7959 B9R0.45 CNCCCOCCCO 34a_100000213112_100000230001 [2,0,0,0,0,0|2,0,0]=4 7960 B9R0.45 CNCCCOCCCO 34a_100011310245_200000210301 [2,0,0,0,0,0|2,0,0]=4 7961 B9R0.45 COCCCCCCCBr 34a_100000760002_200000210301 [2,0,0,0,0,0|2,0,0]=4 7962 B9R0.45 COCCCCCCCBr 7a_100000760002_200000210301 [2,0,0,0,0,0|2,0,0]=4 7963 B9R0.45 COCCCCCCCN 34a_100011996573_200000210301 [2,0,0,0,0,0|2,0,0]=4 7964 B9R0.45 COCCCCCCCO 34a_100138415774_100000760002 [2,0,0,0,0,0|1,0,0]=3 7965 B9R0.45 COCCCCNCCO 2230a_100016997473_100000730899 [2,0,0,0,0,0|2,0,0]=4 7966 B9R0.45 COCCCCNCCO 34a_100016990907_100000755781 [2,0,0,0,0,0|2,0,0]=4 7967 B9R0.45 COCCCCOCC=O 34a_100000740925_200009817547 [2,0,0,0,0,0|2,0,0]=4 7968 B9R0.45 COCCCCOCCO 34a_100000740925_100000211926 [2,0,0,0,0,0|2,0,0]=4 7969 B9R0.45 COCCCCSCC=O 62a_100000730899_200015260668 [2,0,0,0,0,0|2,0,0]=4 7970 B9R0.45 COCCCCSCC=O 62a_200015260668_100000730899 [2,0,0,0,0,0|2,0,0]=4 7971 B9R0.45 COCCCCSCCO 62a_100000211926_100000730899 [2,0,0,0,0,0|2,0,0]=4 7972 B9R0.45 COCCCCSCCO 62a_100000730899_100000211926 [2,0,0,0,0,0|2,0,0]=4 7973 B9R0.45 COCCCNCCCO 34a_100150723488_100000230001 [2,0,0,0,0,0|2,0,0]=4 7974 B9R0.45 COCCCOCCCO 34a_100000740835_100000230001 [2,0,0,0,0,0|2,0,0]=4 7975 B9R0.45 COCCCSCCCO 62a_100000709357_100011215043 [2,0,0,0,0,0|2,0,0]=4 7976 B9R0.45 COCCCSCCCO 62a_100011215043_100000709357 [2,0,0,0,0,0|2,0,0]=4 7977 B9R0.45 COCCNCCCC=O 2230a_100000209980_200011292268 [2,0,0,0,0,0|2,0,0]=4 7978 B9R0.45 COCCNCCCCO 2230a_100000209980_100000210776 [2,0,0,0,0,0|2,0,0]=4 7979 B9R0.45 COCCNCCCCO 2230a_100000750430_100011201679 [2,0,0,0,0,0|2,0,0]=4 7980 B9R0.45 COCCNCCCCO 34a_100000750430_100011201679 [2,0,0,0,0,0|2,0,0]=4 7981 B9R0.45 COCCOCCCCO 34a_100000210237_100011216708 [2,0,0,0,0,0|2,0,0]=4 7982 B9R0.45 COCCSCCCC=O 62a_100000233755_200011292268 [2,0,0,0,0,0|2,0,0]=4 7983 B9R0.45 COCCSCCCC=O 62a_200011292268_100000233755 [2,0,0,0,0,0|2,0,0]=4 7984 B9R0.45 COCCSCCCCO 62a_100000210776_100000233755 [2,0,0,0,0,0|2,0,0]=4 7985 B9R0.45 COCCSCCCCO 62a_100000233755_100000210776 [2,0,0,0,0,0|2,0,0]=4 7986 B9R0.45 COCNCCCCCO 2230a_100000762737_100000766300 [2,0,0,0,0,0|2,0,0]=4 7987 B9R0.45 COCSCCCCC=O 62a_100000139335_100000766300 [2,0,0,0,0,0|2,0,0]=4 7988 B9R0.45 COCSCCCCC=O 62a_100000766300_100000139335 [2,0,0,0,0,0|2,0,0]=4 7989 B9R0.45 COCSCCCCCO 62a_100000746330_100000766300 [2,0,0,0,0,0|2,0,0]=4 7990 B9R0.45 COCSCCCCCO 62a_100000766300_100000746330 [2,0,0,0,0,0|2,0,0]=4 7991 B9R0.45 CSCCCCCCCO 62a_100000760002_200000210301 [2,0,0,0,0,0|1,0,0]=3 7992 B9R0.45 CSCCCCCCCO 62a_200000210301_100000760002 [2,0,0,0,0,0|1,0,0]=3 7993 B9R0.45 CSCCCCOCC=O 34a_100011217163_200009817547 [2,0,0,0,0,0|2,0,0]=4 7994 B9R0.45 CSCCCCOCC=O 7a_100011217163_200015260668 [2,0,0,0,0,0|2,0,0]=4 7995 B9R0.45 CSCCCCOCCO 34a_100011217163_100000211926 [2,0,0,0,0,0|2,0,0]=4 7996 B9R0.45 CSCCCCOCCO 7a_100011217163_100000211926 [2,0,0,0,0,0|2,0,0]=4 7997 B9R0.45 CSCCCNCCCO 2230a_100000749238_100000230001 [2,0,0,0,0,0|2,0,0]=4 7998 B9R0.45 CSCCCOCCCO 34a_100000690336_100000230001 [2,0,0,0,0,0|2,0,0]=4 7999 B9R0.45 CSCCCOCCCO 7a_100000690336_100011215043 [2,0,0,0,0,0|2,0,0]=4 8000 B9R0.45 CSCCNCCCC=O 2230a_100020590264_200011292268 [2,0,0,0,0,0|2,0,0]=4 8001 B9R0.45 CSCCNCCCCO 2230a_100000750430_100000751147 [2,0,0,0,0,0|2,0,0]=4 8002 B9R0.45 CSCCNCCCCO 2230a_100020590264_100000210776 [2,0,0,0,0,0|2,0,0]=4 8003 B9R0.45 CSCCNCCCCO 34a_100000750430_100000212216 [2,0,0,0,0,0|2,0,0]=4 8004 B9R0.45 CSCCOCCCC=O 7a_100000230434_200011292268 [2,0,0,0,0,0|2,0,0]=4 8005 B9R0.45 CSCCOCCCCO 34a_100000230434_100011216708 [2,0,0,0,0,0|2,0,0]=4 8006 B9R0.45 CSCCOCCCCO 7a_100000230434_100000210776 [2,0,0,0,0,0|2,0,0]=4 8007 B9R0.45 CSCCSCCCC=O 62a_100000212216_200011292268 [2,0,0,0,0,0|2,0,0]=4 8008 B9R0.45 CSCCSCCCC=O 62a_200011292268_100000751147 [2,0,0,0,0,0|2,0,0]=4 8009 B9R0.45 CSCCSCCCCO 62a_100000210776_100000751147 [2,0,0,0,0,0|2,0,0]=4 8010 B9R0.45 CSCCSCCCCO 62a_100000212216_100000210776 [2,0,0,0,0,0|2,0,0]=4 8011 B9R0.45 CSCNCCCCCO 2230a_100000762737_100011218213 [2,0,0,0,0,0|2,0,0]=4 8012 B9R0.45 CSCNCCCCCO 34a_100000762737_100011218213 [2,0,0,0,0,0|2,0,0]=4 8013 B9R0.45 CSCSCCCCC=O 62a_100000139335_100011218213 [2,0,0,0,0,0|2,0,0]=4 8014 B9R0.45 CSCSCCCCC=O 62a_100011218213_100000139335 [2,0,0,0,0,0|2,0,0]=4 8015 B9R0.45 CSCSCCCCCO 62a_100000746330_100011218213 [2,0,0,0,0,0|2,0,0]=4 8016 B9R0.45 CSCSCCCCCO 62a_100011218213_100000746330 [2,0,0,0,0,0|2,0,0]=4 8017 B9R0.45 NCCCCCOCC=O 34a_100000762737_200009817547 [2,0,0,0,0,0|2,0,0]=4 8018 B9R0.45 NCCCCCOCCO 34a_100000762737_100000211926 [2,0,0,0,0,0|2,0,0]=4 8019 B9R0.45 NCCCCOCCCO 34a_100000750430_100000230001 [2,0,0,0,0,0|2,0,0]=4 8020 B9R0.45 NCCCOCCCCO 34a_100000182051_100011216708 [2,0,0,0,0,0|2,0,0]=4 8021 B9R0.45 NCCOCCCCCO 34a_100000210304_100000746330 [2,0,0,0,0,0|2,0,0]=4 8022 B9R0.45 O=CCCCCCSCF 62a_100000139337_100015361967 [2,0,0,0,0,0|2,0,0]=4 8023 B9R0.45 O=CCCCCCSCF 62a_100015361967_100000139337 [2,0,0,0,0,0|2,0,0]=4 8024 B9R0.45 O=CCCCCNCCO 2230a_100016997473_100000139335 [2,0,0,0,0,0|2,0,0]=4 8025 B9R0.45 O=CCCCCSCCF 62a_100000139335_100011217306 [2,0,0,0,0,0|2,0,0]=4 8026 B9R0.45 O=CCCCCSCCF 62a_100011217306_100000139335 [2,0,0,0,0,0|2,0,0]=4 8027 B9R0.45 O=CCCCCSCCO 62a_100000139335_100000211926 [2,0,0,0,0,0|2,0,0]=4 8028 B9R0.45 O=CCCCCSCCO 62a_100000211926_100000139335 [2,0,0,0,0,0|2,0,0]=4 8029 B9R0.45 O=CCCCNCCCF 2230a_100015189416_200011292268 [2,0,0,0,0,0|2,0,0]=4 8030 B9R0.45 O=CCCCSCCCF 62a_100011934791_200011292268 [2,0,0,0,0,0|2,0,0]=4 8031 B9R0.45 O=CCCCSCCCF 62a_200011292268_100011934791 [2,0,0,0,0,0|2,0,0]=4 8032 B9R0.45 O=CCCCSCCCO 62a_100011215043_200011292268 [2,0,0,0,0,0|2,0,0]=4 8033 B9R0.45 O=CCCCSCCCO 62a_200011292268_100011215043 [2,0,0,0,0,0|2,0,0]=4 8034 B9R0.45 O=CCNCCCCCO 2230a_100000762737_200015260668 [2,0,0,0,0,0|2,0,0]=4 8035 B9R0.45 O=CCNCCCCCO 34a_100000762737_200009817547 [2,0,0,0,0,0|2,0,0]=4 8036 B9R0.45 O=CCOCCCCCBr 34a_100000746331_200009817547 [2,0,0,0,0,0|2,0,0]=4 8037 B9R0.45 O=CCOCCCCCBr 7a_100000746331_200015260668 [2,0,0,0,0,0|2,0,0]=4 8038 B9R0.45 O=CCOCCCCCCl 34a_100000746330_200009817547 [2,0,0,0,0,0|2,0,0]=4 8039 B9R0.45 O=CCOCCCCCCl 7a_100000746330_200015260668 [2,0,0,0,0,0|2,0,0]=4 8040 B9R0.45 O=CCOCCCCCI 34a_200012148887_200009817547 [2,0,0,0,0,0|2,0,0]=4 8041 B9R0.45 O=CCOCCCCCI 7a_200012148887_200015260668 [2,0,0,0,0,0|2,0,0]=4 8042 B9R0.45 O=CCSCCCCCF 62a_100000729378_200015260668 [2,0,0,0,0,0|2,0,0]=4 8043 B9R0.45 O=CCSCCCCCF 62a_200015260668_100000729378 [2,0,0,0,0,0|2,0,0]=4 8044 B9R0.45 O=CCSCCCCCO 62a_100000746330_200015260668 [2,0,0,0,0,0|2,0,0]=4 8045 B9R0.45 O=CCSCCCCCO 62a_200015260668_100000746330 [2,0,0,0,0,0|2,0,0]=4 8046 B9R0.45 OCCCCCCNCF 34a_100000686447_100015361967 [2,0,0,0,0,0|2,0,0]=4 8047 B9R0.45 OCCCCCCSCF 62a_100000766143_100015361967 [2,0,0,0,0,0|2,0,0]=4 8048 B9R0.45 OCCCCCCSCF 62a_100015361967_100000766143 [2,0,0,0,0,0|2,0,0]=4 8049 B9R0.45 OCCCCCNCCF 2230a_100000762737_100011217306 [2,0,0,0,0,0|2,0,0]=4 8050 B9R0.45 OCCCCCNCCF 34a_100000724931_100000746330 [2,0,0,0,0,0|2,0,0]=4 8051 B9R0.45 OCCCCCNCCF 34a_100000762737_100011217306 [2,0,0,0,0,0|2,0,0]=4 8052 B9R0.45 OCCCCCNCCO 2230a_100000762737_100000211926 [2,0,0,0,0,0|2,0,0]=4 8053 B9R0.45 OCCCCCNCCO 2230a_100016997473_100000746330 [2,0,0,0,0,0|2,0,0]=4 8054 B9R0.45 OCCCCCNCCO 34a_100000762737_100000211926 [2,0,0,0,0,0|2,0,0]=4 8055 B9R0.45 OCCCCCNCCO 34a_100016990907_100000746330 [2,0,0,0,0,0|2,0,0]=4 8056 B9R0.45 OCCCCCOCCBr 34a_100000211926_100000746330 [2,0,0,0,0,0|2,0,0]=4 8057 B9R0.45 OCCCCCSCCF 62a_100000746330_100011217306 [2,0,0,0,0,0|2,0,0]=4 8058 B9R0.45 OCCCCCSCCF 62a_100011217306_100000746330 [2,0,0,0,0,0|2,0,0]=4 8059 B9R0.45 OCCCCCSCCO 62a_100000211926_100000746330 [2,0,0,0,0,0|2,0,0]=4 8060 B9R0.45 OCCCCCSCCO 62a_100000746330_100000211926 [2,0,0,0,0,0|2,0,0]=4 8061 B9R0.45 OCCCCNCCCF 2230a_100000750430_100011934791 [2,0,0,0,0,0|2,0,0]=4 8062 B9R0.45 OCCCCNCCCF 2230a_100015189416_100000210776 [2,0,0,0,0,0|2,0,0]=4 8063 B9R0.45 OCCCCNCCCF 34a_100000750430_100011934791 [2,0,0,0,0,0|2,0,0]=4 8064 B9R0.45 OCCCCNCCCF 34a_100015189416_100011216708 [2,0,0,0,0,0|2,0,0]=4 8065 B9R0.45 OCCCCNCCCO 2230a_100000750430_100000230001 [2,0,0,0,0,0|2,0,0]=4 8066 B9R0.45 OCCCCNCCCO 34a_100000750430_100000230001 [2,0,0,0,0,0|2,0,0]=4 8067 B9R0.45 OCCCCOCCCBr 34a_100011217188_100011216708 [2,0,0,0,0,0|2,0,0]=4 8068 B9R0.45 OCCCCOCCCCl 34a_100000230001_100011216708 [2,0,0,0,0,0|2,0,0]=4 8069 B9R0.45 OCCCCOCCCF 34a_100000759539_100011216708 [2,0,0,0,0,0|2,0,0]=4 8070 B9R0.45 OCCCCSCCCF 62a_100000210776_100011934791 [2,0,0,0,0,0|2,0,0]=4 8071 B9R0.45 OCCCCSCCCF 62a_100011934791_100000210776 [2,0,0,0,0,0|2,0,0]=4 8072 B9R0.45 OCCCCSCCCO 62a_100000210776_100011215043 [2,0,0,0,0,0|2,0,0]=4 8073 B9R0.45 OCCCCSCCCO 62a_100011215043_100000210776 [2,0,0,0,0,0|2,0,0]=4 8074 B9R0.45 OCCCOCCCCBr 34a_100011216708_100000230001 [2,0,0,0,0,0|2,0,0]=4 8075 B9R0.45 OCCCOCCCCCl 34a_100000210776_100000230001 [2,0,0,0,0,0|2,0,0]=4 8076 B9R0.45 OCCCOCCCCCl 7a_100000210776_100011215043 [2,0,0,0,0,0|2,0,0]=4 8077 B9R0.45 OCCCOCCCCF 34a_100011995726_100000230001 [2,0,0,0,0,0|2,0,0]=4 8078 B9R0.45 OCCCOCCCCF 7a_100011995726_100011215043 [2,0,0,0,0,0|2,0,0]=4 8079 B9R0.45 OCCCOCCCCI 34a_200012148704_100000230001 [2,0,0,0,0,0|2,0,0]=4 8080 B9R0.45 OCCCSCCCCF 62a_100000729493_100011215043 [2,0,0,0,0,0|2,0,0]=4 8081 B9R0.45 OCCCSCCCCF 62a_100011215043_100000729493 [2,0,0,0,0,0|2,0,0]=4 8082 B9R0.45 OCCNCCCCCF 2230a_100016997473_100000729378 [2,0,0,0,0,0|2,0,0]=4 8083 B9R0.45 OCCNCCCCCF 34a_100016990907_100000729378 [2,0,0,0,0,0|2,0,0]=4 8084 B9R0.45 OCCOCCCCCBr 34a_100000746331_100000211926 [2,0,0,0,0,0|2,0,0]=4 8085 B9R0.45 OCCOCCCCCBr 7a_100000746331_100000211926 [2,0,0,0,0,0|2,0,0]=4 8086 B9R0.45 OCCOCCCCCCl 34a_100000746330_100000211926 [2,0,0,0,0,0|2,0,0]=4 8087 B9R0.45 OCCOCCCCCCl 7a_100000746330_100000211926 [2,0,0,0,0,0|2,0,0]=4 8088 B9R0.45 OCCOCCCCCI 34a_200012148887_100000211926 [2,0,0,0,0,0|2,0,0]=4 8089 B9R0.45 OCCOCCCCCI 7a_200012148887_100000211926 [2,0,0,0,0,0|2,0,0]=4 8090 B9R0.45 OCCSCCCCCF 62a_100000211926_100000729378 [2,0,0,0,0,0|2,0,0]=4 8091 B9R0.45 OCCSCCCCCF 62a_100000729378_100000211926 [2,0,0,0,0,0|2,0,0]=4 8092 B9R0.45 [13CH3]NCCCCCCCO 2230a_100011996573_200025704644 [2,0,0,0,0,0|1,0,0]=3 8093 B9R0.45 [13CH3]NCCCCCCCO 34a_100011996573_200025704644 [2,0,0,0,0,0|1,0,0]=3 8094 B9R0.45 [13CH3]NCCCOCCCO 2230a_100011310245_200025704644 [2,0,0,0,0,0|2,0,0]=4 8095 B9R0.45 [13CH3]NCCCOCCCO 34a_100011310245_200025704644 [2,0,0,0,0,0|2,0,0]=4 8096 B9R0.45 [13CH3]OCCCCCCCBr 34a_100000760002_200025704644 [2,0,0,0,0,0|2,0,0]=4 8097 B9R0.45 [13CH3]OCCCCCCCBr 7a_100000760002_200025704644 [2,0,0,0,0,0|2,0,0]=4 8098 B9R0.45 [13CH3]OCCCCCCCN 34a_100011996573_200025704644 [2,0,0,0,0,0|2,0,0]=4 8099 B9R0.45 [13CH3]SCCCCCCCO 62a_100000760002_200025704644 [2,0,0,0,0,0|1,0,0]=3 8100 B9R0.45 [13CH3]SCCCCCCCO 62a_200025704644_100000760002 [2,0,0,0,0,0|1,0,0]=3 8101 B11R0.2 CCCCCCC(=O)CC(=O)N 1458a_100102632555_100000187820 [1,1,0,0,0,0|1,0,1]=4 8102 B11R0.2 CCCCCCC(=O)CC(=O)N 1458a_100134613110_100000210757 [1,1,0,0,0,0|1,0,1]=4 8103 B11R0.2 CCCCCCC(=O)CC(=O)[O-] 1458a_100102632555_100020667443 [1,1,0,0,0,0|0,0,2]=4 8104 B11R0.2 CCCCCCC(C)NC(=O)C 11a_100000210919_100015343762 [1,1,0,0,0,0|2,0,0]=4 8105 B11R0.2 CCCCCCC(C)NC(=O)C 1626a_100000210919_100015343762 [1,1,0,0,0,0|2,0,0]=4 8106 B11R0.2 CCCCCCC(C)NC(=O)C 240690a_100000210919_100015343762 [1,1,0,0,0,0|2,0,0]=4 8107 B11R0.2 CCCCCCC(C)NC(=O)C 527a_100000210919_100103153847 [1,1,0,0,0,0|2,0,0]=4 8108 B11R0.2 CCCCCCN(C)CC(=O)N 2230a_100000739694_100000210314 [1,1,0,0,0,0|2,0,0]=4 8109 B11R0.2 CCCCCCN(C)CC(=O)N 2230a_106256046315_100000747473 [1,1,0,0,0,0|2,0,0]=4 8110 B11R0.2 CCCCCCN(C)CC(=O)N 269982a_106256046315_100000187820 [1,1,0,0,0,0|2,0,0]=4 8111 B11R0.2 CCCCCCN(C)CC(=O)O 269956a_100000746989_100000210757 [1,1,0,0,0,0|1,0,0]=3 8112 B11R0.2 CCCCCCN(C)CC(=O)[O-] 269982a_106256046315_100020667443 [1,1,0,0,0,0|1,0,1]=4 8113 B11R0.2 CCCCNCC(O)CC(=O)O 269956a_100011218706_100000210211 [1,1,0,0,0,0|1,0,0]=3 8114 B11R0.2 CCCCOCN(C)CC(=O)O 269956a_100000746989_100011995733 [1,1,0,0,0,0|2,0,0]=4 8115 B11R0.2 CCCOCCN(C)CC(=O)O 269956a_100000746989_100011215938 [1,1,0,0,0,0|2,0,0]=4 8116 B11R0.2 CCOCCCN(C)CC(=O)O 269956a_100000746989_100012232248 [1,1,0,0,0,0|2,0,0]=4 8117 B11R0.2 CCOCNCC(O)CC(=O)O 269956a_100011218706_100000739092 [1,1,0,0,0,0|2,0,0]=4 8118 B11R0.2 CN(CCCCCF)CC(=O)O 269956a_100000746989_100000729378 [1,1,0,0,0,0|2,0,0]=4 8119 B11R0.2 CN(CCCCCO)CC(=O)O 269956a_100000746989_100000746330 [1,1,0,0,0,0|2,0,0]=4 8120 B11R0.2 COCCCCN(C)CC(=O)O 269956a_100000746989_100000730899 [1,1,0,0,0,0|2,0,0]=4 8121 B11R0.2 COCCNCC(O)CC(=O)O 269956a_100011218706_100000233755 [1,1,0,0,0,0|2,0,0]=4 8122 B11R0.2 CSCCNCC(O)CC(=O)O 269956a_100011218706_100000212216 [1,1,0,0,0,0|2,0,0]=4 8123 B11R0.2 O=C(O)CC(O)CNCCCF 269956a_100011218706_100011934791 [1,1,0,0,0,0|2,0,0]=4 8124 B11R0.2 O=C(O)CC(O)CNCCCO 269956a_100011218706_100011215043 [1,1,0,0,0,0|2,0,0]=4 8125 B11R0.30 CC(=O)CCCCCCC(C)C 1458a_100000040743_200000210301 [1,1,0,0,0,0|1,0,0]=3 8126 B11R0.30 CC(=O)CCCCNCC(=O)O 269956a_100016091260_100000735457 [1,1,0,0,0,0|1,0,1]=4 8127 B11R0.30 CC(=O)CCCCNCC(C)C 34a_100000210953_100009817362 [1,1,0,0,0,0|2,0,0]=4 8128 B11R0.30 CC(=O)CCCCNCC(C)O 34a_100000210904_100009817362 [1,1,0,0,0,0|2,0,0]=4 8129 B11R0.30 CC(=O)CCCCOCC(C)Br 34a_100012180447_100009817362 [1,1,0,0,0,0|2,0,0]=4 8130 B11R0.30 CC(=O)CCCCOCC(C)C 34a_100000210257_100009817362 [1,1,0,0,0,0|2,0,0]=4 8131 B11R0.30 CC(=O)CCCCOCC(C)F 34a_100015925927_100009817362 [1,1,0,0,0,0|2,0,0]=4 8132 B11R0.30 CC(=O)CCCCOC[C@@H](C)Cl 34a_100016084084_100009817362 [1,1,0,0,0,0|2,0,0]=4 8133 B11R0.30 CC(=O)CCCCOC[C@@H](C)N 34a_100000737577_100009817362 [1,1,0,0,0,0|2,0,0]=4 8134 B11R0.30 CC(=O)CCCCSCC(C)C 62a_100000210624_100000735457 [1,1,0,0,0,0|2,0,0]=4 8135 B11R0.30 CC(=O)CCCCSCC(C)C 62a_100000735457_100000210760 [1,1,0,0,0,0|2,0,0]=4 8136 B11R0.30 CC(=O)CCCCSCC(C)O 62a_100000735457_100011218427 [1,1,0,0,0,0|2,0,0]=4 8137 B11R0.30 CC(=O)CCCCSCC(C)O 62a_100011218427_100000735457 [1,1,0,0,0,0|2,0,0]=4 8138 B11R0.30 CC(=O)CCCCSC[C@@H](C)O 62a_100000735457_100009817552 [1,1,0,0,0,0|2,0,0]=4 8139 B11R0.30 CC(=O)CCCCSC[C@@H](C)O 62a_100009817552_100000735457 [1,1,0,0,0,0|2,0,0]=4 8140 B11R0.30 CC(=O)CCCOCCC(C)Br 34a_100009893172_100000685027 [1,1,0,0,0,0|2,0,0]=4 8141 B11R0.30 CC(=O)CCCOCCC(C)C 34a_100000210254_100000685027 [1,1,0,0,0,0|2,0,0]=4 8142 B11R0.30 CC(=O)CCCOCCC(C)C 34a_100000759063_100000210312 [1,1,0,0,0,0|2,0,0]=4 8143 B11R0.30 CC(=O)CCCOCCC(C)C 7a_100000210254_100011215641 [1,1,0,0,0,0|2,0,0]=4 8144 B11R0.30 CC(=O)CCCOCCC(C)C 7a_100000759063_100000210626 [1,1,0,0,0,0|2,0,0]=4 8145 B11R0.30 CC(=O)CCCOCCC(C)O 34a_100000759063_100012276601 [1,1,0,0,0,0|2,0,0]=4 8146 B11R0.30 CC(=O)CCCOCCC(C)O 7a_100000759063_100012276601 [1,1,0,0,0,0|2,0,0]=4 8147 B11R0.30 CC(=O)CCCOCC[C@@H](C)N 34a_100000706166_100000685027 [1,1,0,0,0,0|2,0,0]=4 8148 B11R0.30 CC(=O)CCCSCCC(C)C 62a_100000210312_100011215641 [1,1,0,0,0,0|2,0,0]=4 8149 B11R0.30 CC(=O)CCCSCCC(C)C 62a_100011215641_100000210312 [1,1,0,0,0,0|2,0,0]=4 8150 B11R0.30 CC(=O)CCCSCCC(C)O 62a_100011215641_100012276601 [1,1,0,0,0,0|2,0,0]=4 8151 B11R0.30 CC(=O)CCCSCCC(C)O 62a_100012276601_100011215641 [1,1,0,0,0,0|2,0,0]=4 8152 B11R0.30 CC(=O)CCOCCCC(C)C 34a_100000759926_100011214892 [1,1,0,0,0,0|2,0,0]=4 8153 B11R0.30 CC(=O)CCOCCCC(C)C 7a_100000210774_100000053229 [1,1,0,0,0,0|2,0,0]=4 8154 B11R0.30 CC(=O)CCOCCCC(C)C 7a_100000759926_100011214892 [1,1,0,0,0,0|2,0,0]=4 8155 B11R0.30 CC(=O)CCOCCCC(C)O 34a_100000759926_200000718107 [1,1,0,0,0,0|2,0,0]=4 8156 B11R0.30 CC(=O)CCOCCCC(C)O 7a_100000759926_200000718107 [1,1,0,0,0,0|2,0,0]=4 8157 B11R0.30 CC(=O)CCSCCCC(C)C 62a_100000053229_100011214892 [1,1,0,0,0,0|2,0,0]=4 8158 B11R0.30 CC(=O)CCSCCCC(C)C 62a_100011214892_100000053229 [1,1,0,0,0,0|2,0,0]=4 8159 B11R0.30 CC(=O)CCSCCCC(C)O 62a_100000053229_200000718107 [1,1,0,0,0,0|2,0,0]=4 8160 B11R0.30 CC(=O)CCSCCCC(C)O 62a_200000718107_100000053229 [1,1,0,0,0,0|2,0,0]=4 8161 B11R0.30 CC(=O)COCCCCC(C)C 34a_100000211253_100011216152 [1,1,0,0,0,0|2,0,0]=4 8162 B11R0.30 CC(=O)NCCCCCC(C)C 1626a_100011290863_100015343762 [1,1,0,0,0,0|2,0,0]=4 8163 B11R0.30 CC(=O)NCCCCCC(C)C 240690a_100011290863_100015343762 [1,1,0,0,0,0|2,0,0]=4 8164 B11R0.30 CC(=O)NCCCCCC(C)C 527a_100011290863_100103153847 [1,1,0,0,0,0|2,0,0]=4 8165 B11R0.30 CC(Br)CCOCCCC(=O)N 34a_100009893172_100102525003 [1,1,0,0,0,0|2,0,0]=4 8166 B11R0.30 CC(C)CCCCCCC(=O)[13CH3] 1458a_100000040743_200025704644 [1,1,0,0,0,0|1,0,0]=3 8167 B11R0.30 CC(C)CCCCNCC(=O)N 2230a_100000711301_100011216152 [1,1,0,0,0,0|2,0,0]=4 8168 B11R0.30 CC(C)CCCCNCC(=O)O 269956a_100016091260_100011216152 [1,1,0,0,0,0|1,0,0]=3 8169 B11R0.30 CC(C)CCCCOCC(=O)N 34a_100011214890_100000187820 [1,1,0,0,0,0|2,0,0]=4 8170 B11R0.30 CC(C)CCCCOCC(=O)N 7a_100011214890_100000187820 [1,1,0,0,0,0|2,0,0]=4 8171 B11R0.30 CC(C)CCCCOCC(=O)[O-] 34a_100011214890_100020667443 [1,1,0,0,0,0|1,0,1]=4 8172 B11R0.30 CC(C)CCCCSCC(=O)N 62a_100000747473_100011216152 [1,1,0,0,0,0|2,0,0]=4 8173 B11R0.30 CC(C)CCCCSCC(=O)N 62a_100011216152_100000747473 [1,1,0,0,0,0|2,0,0]=4 8174 B11R0.30 CC(C)CCCCSCC(=O)[O-] 62a_100011216152_100020667443 [1,1,0,0,0,0|1,0,1]=4 8175 B11R0.30 CC(C)CCCCSCC(=O)[O-] 62a_100020667443_100011216152 [1,1,0,0,0,0|1,0,1]=4 8176 B11R0.30 CC(C)CCCNCCC(=O)N 2230a_200000737386_100000744528 [1,1,0,0,0,0|2,0,0]=4 8177 B11R0.30 CC(C)CCCNCCC(=O)N 34a_200000737386_100000731001 [1,1,0,0,0,0|2,0,0]=4 8178 B11R0.30 CC(C)CCCNOCC(=O)O 269956a_100000106656_100011214892 [1,1,0,0,0,0|2,0,0]=4 8179 B11R0.30 CC(C)CCCOCCC(=O)N 34a_100000210774_100000731001 [1,1,0,0,0,0|2,0,0]=4 8180 B11R0.30 CC(C)CCCOCCC(=O)N 34a_100000757172_100011214892 [1,1,0,0,0,0|2,0,0]=4 8181 B11R0.30 CC(C)CCCOCCC(=O)N 7a_100000210774_100000744528 [1,1,0,0,0,0|2,0,0]=4 8182 B11R0.30 CC(C)CCCOCCC(=O)N 7a_100000757172_100011214892 [1,1,0,0,0,0|2,0,0]=4 8183 B11R0.30 CC(C)CCCSCCC(=O)N 62a_100000744528_100011214892 [1,1,0,0,0,0|2,0,0]=4 8184 B11R0.30 CC(C)CCCSCCC(=O)N 62a_100011214892_100000744528 [1,1,0,0,0,0|2,0,0]=4 8185 B11R0.30 CC(C)CCNCCCC(=O)N 269862a_100000739312_100000185833 [1,1,0,0,0,0|2,0,0]=4 8186 B11R0.30 CC(C)CCNCCCC(=O)N 34a_100000739312_100000210312 [1,1,0,0,0,0|2,0,0]=4 8187 B11R0.30 CC(C)CCOCCCC(=O)N 34a_100000210254_100102525003 [1,1,0,0,0,0|2,0,0]=4 8188 B11R0.30 CC(C)CCOCCCC(=O)N 7a_100000210254_100102525003 [1,1,0,0,0,0|2,0,0]=4 8189 B11R0.30 CC(C)CCSCCCC(=O)N 62a_100000210312_100102525003 [1,1,0,0,0,0|2,0,0]=4 8190 B11R0.30 CC(C)CCSCCCC(=O)N 62a_100102525003_100000210312 [1,1,0,0,0,0|2,0,0]=4 8191 B11R0.30 CC(C)CNCCCCC(=O)N 270004a_100000696515_100000210432 [1,1,0,0,0,0|2,0,0]=4 8192 B11R0.30 CC(C)CNCCCCC(=O)N 34a_100000696515_100000210624 [1,1,0,0,0,0|2,0,0]=4 8193 B11R0.30 CC(C)CNCCOCC(=O)O 269956a_100000700818_100000210760 [1,1,0,0,0,0|2,0,0]=4 8194 B11R0.30 CC(C)COCCCCC(=O)N 34a_100012022536_100000210624 [1,1,0,0,0,0|2,0,0]=4 8195 B11R0.30 CC(C)COCCCCC(=O)N 7a_100012022536_100000210760 [1,1,0,0,0,0|2,0,0]=4 8196 B11R0.30 CC(C)NCCCCCC(=O)N 2230a_100138425928_100009817443 [1,1,0,0,0,0|2,0,0]=4 8197 B11R0.30 CC(C)NCCCCCC(=O)N 34a_100138425928_100009817443 [1,1,0,0,0,0|2,0,0]=4 8198 B11R0.30 CC(C)OCCCCCC(=O)N 34a_100000123541_100000210206 [1,1,0,0,0,0|2,0,0]=4 8199 B11R0.30 CC(C)OCCCCCC(=O)N 34a_100000212225_100009817443 [1,1,0,0,0,0|2,0,0]=4 8200 B11R0.30 CC(C)OCCCCCC(=O)N 7a_100000123541_100000210206 [1,1,0,0,0,0|2,0,0]=4 8201 B11R0.30 CC(C)OCCCCCC(=O)[O-] 7a_100102619762_100000210206 [1,1,0,0,0,0|1,0,1]=4 8202 B11R0.30 CC(C)SCCCCCC(=O)N 62a_100000210206_100009817443 [1,1,0,0,0,0|2,0,0]=4 8203 B11R0.30 CC(C)SCCCCCC(=O)N 62a_100009817443_100000210206 [1,1,0,0,0,0|2,0,0]=4 8204 B11R0.30 CC(O)CCCNOCC(=O)O 269956a_100000106656_200000718107 [1,1,0,0,0,0|2,0,0]=4 8205 B11R0.30 CC(O)CCCOCCC(=O)N 34a_100000757172_200000718107 [1,1,0,0,0,0|2,0,0]=4 8206 B11R0.30 CC(O)CCCOCCC(=O)N 7a_100000757172_200000718107 [1,1,0,0,0,0|2,0,0]=4 8207 B11R0.30 CC(O)CCCSCCC(=O)N 62a_100000744528_200000718107 [1,1,0,0,0,0|2,0,0]=4 8208 B11R0.30 CC(O)CCCSCCC(=O)N 62a_200000718107_100000744528 [1,1,0,0,0,0|2,0,0]=4 8209 B11R0.30 CC(O)CCNCCCC(=O)N 34a_100000739312_100012276601 [1,1,0,0,0,0|2,0,0]=4 8210 B11R0.30 CC(O)CCSCCCC(=O)N 62a_100012276601_100102525003 [1,1,0,0,0,0|2,0,0]=4 8211 B11R0.30 CC(O)CCSCCCC(=O)N 62a_100102525003_100012276601 [1,1,0,0,0,0|2,0,0]=4 8212 B11R0.30 CC(O)CNCCCCC(=O)N 34a_100000696515_100011218427 [1,1,0,0,0,0|2,0,0]=4 8213 B11R0.30 CC(O)CNCCOCC(=O)O 269956a_100000700818_100011218427 [1,1,0,0,0,0|2,0,0]=4 8214 B11R0.30 CC(O)COCCCCC(=O)N 34a_100012022536_100011218427 [1,1,0,0,0,0|2,0,0]=4 8215 B11R0.30 CC(O)COCCCCC(=O)N 7a_100012022536_100011218427 [1,1,0,0,0,0|2,0,0]=4 8216 B11R0.30 CN(C)CCCCNCC(=O)O 269956a_100016091260_100000690147 [1,1,0,0,0,0|2,0,0]=4 8217 B11R0.30 C[C@@H](N)CCOCCCC(=O)N 34a_100000706166_100102525003 [1,1,0,0,0,0|2,0,0]=4 8218 B11R0.30 C[C@@H](O)CNCCCCC(=O)N 34a_100000696515_100009817552 [1,1,0,0,0,0|2,0,0]=4 8219 B11R0.30 C[C@@H](O)CNCCOCC(=O)O 269956a_100000700818_100009817552 [1,1,0,0,0,0|2,0,0]=4 8220 B11R0.30 C[C@@H](O)COCCCCC(=O)N 34a_100012022536_100009817552 [1,1,0,0,0,0|2,0,0]=4 8221 B11R0.30 C[C@@H](O)COCCCCC(=O)N 7a_100012022536_100009817552 [1,1,0,0,0,0|2,0,0]=4 8222 B11R0.40 C#CC(=O)CCCCCCCC 1458a_100000211873_100000210759 [1,1,0,0,0,0|1,0,0]=3 8223 B11R0.40 C#CC(=O)CCCCCCCO 1458a_100000211873_100000760002 [1,1,0,0,0,0|2,0,0]=4 8224 B11R0.40 C#CC(=O)CCCCCCOC 1458a_100000211873_100011998445 [1,1,0,0,0,0|2,0,0]=4 8225 B11R0.40 C#CCCCCCCC(=O)CO 1458a_100000210174_100012276617 [1,1,0,0,0,0|0,0,2]=4 8226 B11R0.40 C=CC(=O)CCCCCCCC 1458a_100000185746_100000210759 [1,1,0,0,0,0|1,0,0]=3 8227 B11R0.40 C=CC(=O)CCCCCCCO 1458a_100000185746_100000760002 [1,1,0,0,0,0|2,0,0]=4 8228 B11R0.40 C=CC(=O)CCCCCCOC 1458a_100000185746_100011998445 [1,1,0,0,0,0|2,0,0]=4 8229 B11R0.40 C=CC(=O)NCCCCCCC 1626a_100000229938_100000185746 [1,1,0,0,0,0|2,0,0]=4 8230 B11R0.40 C=CC(=O)NCCCCCCC 240690a_100000229938_200121576911 [1,1,0,0,0,0|2,0,0]=4 8231 B11R0.40 C=CCCCCCCC(=O)CO 1458a_100000210174_100011215473 [1,1,0,0,0,0|0,0,2]=4 8232 B11R0.40 CCC(=O)CCCCCCCO 1458a_100000210414_100000760002 [1,1,0,0,0,0|2,0,0]=4 8233 B11R0.40 CCC(=O)CCCCCCCO 1458a_100011219782_100000210202 [1,1,0,0,0,0|2,0,0]=4 8234 B11R0.40 CCC(=O)CCCCCCOC 1458a_100000210414_100011998445 [1,1,0,0,0,0|2,0,0]=4 8235 B11R0.40 CCCCCC#CCC(=O)CO 1458a_100000210174_100009816472 [1,1,0,0,0,0|0,0,2]=4 8236 B11R0.40 CCCCCCCCC(=O)CC 1458a_100000210188_100000210202 [1,1,0,0,0,0|1,0,0]=3 8237 B11R0.40 CCCCCCCCC(=O)CC 1458a_100000210414_100000210759 [1,1,0,0,0,0|1,0,0]=3 8238 B11R0.40 CCCCCCCCC(=O)CF 1458a_100000210188_100015361967 [1,1,0,0,0,0|1,0,0]=3 8239 B11R0.40 CCCCCCCCC(=O)CO 1458a_100000210174_100000210759 [1,1,0,0,0,0|0,0,0]=2 8240 B11R0.40 CCCCCCCCC(=O)NC 11a_106832991635_100000210188 [1,1,0,0,0,0|1,0,0]=3 8241 B11R0.40 CCCCCCCCC(=O)NC 1626a_100102657272_100000210188 [1,1,0,0,0,0|1,0,0]=3 8242 B11R0.40 CCCCCCCCC(=O)NC 240690a_100102657272_100000210188 [1,1,0,0,0,0|1,0,0]=3 8243 B11R0.40 CCCCCCCCC(=O)NC 527a_100102657272_100000210188 [1,1,0,0,0,0|1,0,0]=3 8244 B11R0.40 CCCCCCCCC(C)OC 34a_100000210740_200000210301 [1,1,0,0,0,0|1,0,1]=4 8245 B11R0.40 CCCCCCCCC(C)OC 7a_100000210740_200000210301 [1,1,0,0,0,0|1,0,1]=4 8246 B11R0.40 CCCCCCCCC(C)O[13CH3] 34a_100000210740_200025704644 [1,1,0,0,0,0|1,0,1]=4 8247 B11R0.40 CCCCCCCCC(C)O[13CH3] 7a_100000210740_200025704644 [1,1,0,0,0,0|1,0,1]=4 8248 B11R0.40 CCCCCCCNC(=O)CC 11a_100000229938_100000210414 [1,1,0,0,0,0|2,0,0]=4 8249 B11R0.40 CCCCCCCNC(=O)CC 1626a_100000229938_100000210414 [1,1,0,0,0,0|2,0,0]=4 8250 B11R0.40 CCCCCCCNC(=O)CC 240690a_100000229938_100000210414 [1,1,0,0,0,0|2,0,0]=4 8251 B11R0.40 CCCCCCCNC(=O)CC 527a_100000229938_100000210414 [1,1,0,0,0,0|2,0,0]=4 8252 B11R0.40 CCCCCCCNC(=O)CO 240690a_100000229938_100000210174 [1,1,0,0,0,0|1,0,0]=3 8253 B11R0.40 CCCCCCCNC(=O)CO 527a_100000229938_100000210174 [1,1,0,0,0,0|1,0,0]=3 8254 B11R0.40 CCCCCCCNC(=O)NC 2708a_100000229938_106832991635 [1,1,0,0,0,0|2,0,0]=4 8255 B11R0.40 CCCCCCCNC(=O)NC 2708a_100102657272_100000229938 [1,1,0,0,0,0|2,0,0]=4 8256 B11R0.40 CCCCCCCNC(=O)NC 273464a_100000229938_100102657272 [1,1,0,0,0,0|2,0,0]=4 8257 B11R0.40 CCCCCCCNC(=O)NC 273464a_100102657272_100000229938 [1,1,0,0,0,0|2,0,0]=4 8258 B11R0.40 CCCCCCCNC(=O)NC 512a_100000229938_100102657272 [1,1,0,0,0,0|2,0,0]=4 8259 B11R0.40 CCCCCCCNC(=O)NC 512a_106832991638_100000229938 [1,1,0,0,0,0|2,0,0]=4 8260 B11R0.40 CCCCCCNCC(=O)NC 2230a_100000210581_100000183359 [1,1,0,0,0,0|2,0,0]=4 8261 B11R0.40 CCCCCCNCC(=O)NC 2230a_100000693194_100000210314 [1,1,0,0,0,0|2,0,0]=4 8262 B11R0.40 CCCCCCNCC(=O)OC 2230a_100000210581_100000747449 [1,1,0,0,0,0|1,0,0]=3 8263 B11R0.40 CCCCCCOCC(=O)CC 34a_100000725409_100000210314 [1,1,0,0,0,0|2,0,0]=4 8264 B11R0.40 CCCCCCOCC(=O)CC 7a_100000210259_100000747405 [1,1,0,0,0,0|2,0,0]=4 8265 B11R0.40 CCCCCCOCC(=O)NC 34a_100000210259_100000183359 [1,1,0,0,0,0|2,0,0]=4 8266 B11R0.40 CCCCCCOCC(=O)NC 34a_100000750040_100000210314 [1,1,0,0,0,0|2,0,0]=4 8267 B11R0.40 CCCCCCOCC(=O)NC 7a_100000210259_100000183359 [1,1,0,0,0,0|2,0,0]=4 8268 B11R0.40 CCCCCCOCC(=O)OC 34a_100000210259_100000747449 [1,1,0,0,0,0|1,0,0]=3 8269 B11R0.40 CCCCCCOCC(=O)OC 7a_100000210259_100000747449 [1,1,0,0,0,0|1,0,0]=3 8270 B11R0.40 CCCCCCSCC(=O)CC 62a_100000210314_100000747405 [1,1,0,0,0,0|2,0,0]=4 8271 B11R0.40 CCCCCCSCC(=O)CC 62a_100000747405_100000210757 [1,1,0,0,0,0|2,0,0]=4 8272 B11R0.40 CCCCCCSCC(=O)NC 62a_100000183359_100000210757 [1,1,0,0,0,0|2,0,0]=4 8273 B11R0.40 CCCCCCSCC(=O)NC 62a_100000210314_100000183359 [1,1,0,0,0,0|2,0,0]=4 8274 B11R0.40 CCCCCCSCC(=O)OC 62a_100000210314_100000747449 [1,1,0,0,0,0|1,0,0]=3 8275 B11R0.40 CCCCCCSCC(=O)OC 62a_100000747449_100000210757 [1,1,0,0,0,0|1,0,0]=3 8276 B11R0.40 CCCCCNCCC(=O)NC 2230a_100000209983_100000737683 [1,1,0,0,0,0|2,0,0]=4 8277 B11R0.40 CCCCCNCCC(=O)NC 2230a_100000738227_100000210326 [1,1,0,0,0,0|2,0,0]=4 8278 B11R0.40 CCCCCNCCC(=O)NC 34a_100000738227_100000718602 [1,1,0,0,0,0|2,0,0]=4 8279 B11R0.40 CCCCCNCCC(=O)OC 2230a_100000209983_100000204255 [1,1,0,0,0,0|1,0,0]=3 8280 B11R0.40 CCCCCOCCC(=NO)N 34a_100000749954_100000718602 [1,1,0,0,0,0|2,0,0]=4 8281 B11R0.40 CCCCCOCCC(=O)NC 34a_100000210253_100012179268 [1,1,0,0,0,0|2,0,0]=4 8282 B11R0.40 CCCCCOCCC(=O)NC 34a_100000754576_100000718602 [1,1,0,0,0,0|2,0,0]=4 8283 B11R0.40 CCCCCOCCC(=O)NC 7a_100000210253_100000737683 [1,1,0,0,0,0|2,0,0]=4 8284 B11R0.40 CCCCCOCCC(=O)OC 34a_100000210253_100000742370 [1,1,0,0,0,0|1,0,0]=3 8285 B11R0.40 CCCCCOCCC(=O)OC 7a_100000210253_100000204255 [1,1,0,0,0,0|1,0,0]=3 8286 B11R0.40 CCCCCSCCC(=O)NC 62a_100000210326_100000737683 [1,1,0,0,0,0|2,0,0]=4 8287 B11R0.40 CCCCCSCCC(=O)NC 62a_100000737683_100000210326 [1,1,0,0,0,0|2,0,0]=4 8288 B11R0.40 CCCCCSCCC(=O)OC 62a_100000204255_100000210326 [1,1,0,0,0,0|1,0,0]=3 8289 B11R0.40 CCCCCSCCC(=O)OC 62a_100000210326_100000204255 [1,1,0,0,0,0|1,0,0]=3 8290 B11R0.40 CCCCCSCOC(=O)OC 62a_100000210326_100000139417 [1,1,0,0,0,0|2,0,0]=4 8291 B11R0.40 CCCCNCCCC(=O)NC 2230a_100000102301_100000741757 [1,1,0,0,0,0|2,0,0]=4 8292 B11R0.40 CCCCNCCCC(=O)NC 2230a_100000740002_100000210211 [1,1,0,0,0,0|2,0,0]=4 8293 B11R0.40 CCCCNCCCC(=O)NC 34a_100000740002_100000210210 [1,1,0,0,0,0|2,0,0]=4 8294 B11R0.40 CCCCNCCCC(=O)NC 7a_106832991798_100000741757 [1,1,0,0,0,0|2,0,0]=4 8295 B11R0.40 CCCCNCCCC(=O)OC 2230a_100000102301_100011218270 [1,1,0,0,0,0|1,0,0]=3 8296 B11R0.40 CCCCNCCCC(=O)OC 7a_106832991798_100011218270 [1,1,0,0,0,0|1,0,0]=3 8297 B11R0.40 CCCCOCCCC(=O)NC 34a_100000210227_100000741757 [1,1,0,0,0,0|2,0,0]=4 8298 B11R0.40 CCCCOCCCC(=O)NC 7a_100000210227_100000741757 [1,1,0,0,0,0|2,0,0]=4 8299 B11R0.40 CCCCOCCCC(=O)NN 34a_100000211488_100000210210 [1,1,0,0,0,0|2,0,0]=4 8300 B11R0.40 CCCCOCCCC(=O)OC 34a_100000210227_100000742333 [1,1,0,0,0,0|1,0,0]=3 8301 B11R0.40 CCCCOCCCC(=O)OC 7a_100000210227_100011218270 [1,1,0,0,0,0|1,0,0]=3 8302 B11R0.40 CCCCOCCNC(=O)OC 34a_100000757965_100000210210 [1,1,0,0,0,0|2,0,0]=4 8303 B11R0.40 CCCCOCCOC(=O)OC 34a_100010262106_100000210210 [1,1,0,0,0,0|2,0,0]=4 8304 B11R0.40 CCCCOCSCC(=O)OC 62a_100000747449_100011995733 [1,1,0,0,0,0|2,0,0]=4 8305 B11R0.40 CCCCOCSCC(=O)OC 62a_100011995733_100000747449 [1,1,0,0,0,0|2,0,0]=4 8306 B11R0.40 CCCCSCCCC(=O)NC 62a_100000210211_100000741757 [1,1,0,0,0,0|2,0,0]=4 8307 B11R0.40 CCCCSCCCC(=O)NC 62a_100000741757_100000210210 [1,1,0,0,0,0|2,0,0]=4 8308 B11R0.40 CCCCSCCCC(=O)OC 62a_100000210211_100011218270 [1,1,0,0,0,0|1,0,0]=3 8309 B11R0.40 CCCCSCCCC(=O)OC 62a_100011218270_100000210210 [1,1,0,0,0,0|1,0,0]=3 8310 B11R0.40 CCCCSCCNC(=O)CO 240690a_100025743550_100000210174 [1,1,0,0,0,0|2,0,0]=4 8311 B11R0.40 CCCCSCCNC(=O)CO 527a_100025743550_100000210174 [1,1,0,0,0,0|2,0,0]=4 8312 B11R0.40 CCCOCCCCC(=O)OC 34a_100000059025_100000210303 [1,1,0,0,0,0|1,0,0]=3 8313 B11R0.40 CCCOCCCCC(=O)OC 34a_100000210258_100000204269 [1,1,0,0,0,0|1,0,0]=3 8314 B11R0.40 CCCOCCCCC(=O)OC 7a_100000059025_100000210303 [1,1,0,0,0,0|1,0,0]=3 8315 B11R0.40 CCCOCCCNC(=O)CO 240690a_100011217757_100000210174 [1,1,0,0,0,0|2,0,0]=4 8316 B11R0.40 CCCOCCCNC(=O)CO 527a_100011217757_100000210174 [1,1,0,0,0,0|2,0,0]=4 8317 B11R0.40 CCCOCCNCC(=O)OC 2230a_100161115042_100000747449 [1,1,0,0,0,0|2,0,0]=4 8318 B11R0.40 CCCOCCNCC(=O)OC 34a_100161115042_100000747449 [1,1,0,0,0,0|2,0,0]=4 8319 B11R0.40 CCCOCCOCC(=O)OC 34a_100000210258_100000090808 [1,1,0,0,0,0|2,0,0]=4 8320 B11R0.40 CCCOCCOCC(=O)OC 34a_100000752267_100000747449 [1,1,0,0,0,0|2,0,0]=4 8321 B11R0.40 CCCOCCOCC(=O)OC 7a_100000752267_100000747449 [1,1,0,0,0,0|2,0,0]=4 8322 B11R0.40 CCCOCCSCC(=O)OC 62a_100000747449_100011215938 [1,1,0,0,0,0|2,0,0]=4 8323 B11R0.40 CCCOCCSCC(=O)OC 62a_100011215938_100000747449 [1,1,0,0,0,0|2,0,0]=4 8324 B11R0.40 CCCSCCCCC(=O)OC 62a_100000204269_100000210303 [1,1,0,0,0,0|1,0,0]=3 8325 B11R0.40 CCCSCCCCC(=O)OC 62a_100000210303_100000204269 [1,1,0,0,0,0|1,0,0]=3 8326 B11R0.40 CCCSCCNCC(=O)OC 2230a_100020603323_100000747449 [1,1,0,0,0,0|2,0,0]=4 8327 B11R0.40 CCCSCCOCC(=O)OC 34a_200000230433_100000747449 [1,1,0,0,0,0|2,0,0]=4 8328 B11R0.40 CCCSCCOCC(=O)OC 62a_100000090808_100000210303 [1,1,0,0,0,0|2,0,0]=4 8329 B11R0.40 CCCSCCOCC(=O)OC 62a_100000210303_100000090808 [1,1,0,0,0,0|2,0,0]=4 8330 B11R0.40 CCCSCCOCC(=O)OC 7a_200000230433_100000747449 [1,1,0,0,0,0|2,0,0]=4 8331 B11R0.40 CCNCCCCCC(=O)OC 2230a_100015525214_100009816466 [1,1,0,0,0,0|1,0,0]=3 8332 B11R0.40 CCOCCCCCC(=O)OC 34a_100000074720_100000210202 [1,1,0,0,0,0|1,0,0]=3 8333 B11R0.40 CCOCCCCCC(=O)OC 34a_100121572206_100009816466 [1,1,0,0,0,0|1,0,0]=3 8334 B11R0.40 CCOCCCCCC(=O)OC 7a_100000074720_100000210202 [1,1,0,0,0,0|1,0,0]=3 8335 B11R0.40 CCOCCCNCC(=O)OC 2230a_100000210961_100000747449 [1,1,0,0,0,0|2,0,0]=4 8336 B11R0.40 CCOCCCNCC(=O)OC 34a_100000210961_100000747449 [1,1,0,0,0,0|2,0,0]=4 8337 B11R0.40 CCOCCCOCC(=O)OC 34a_100000757476_100000747449 [1,1,0,0,0,0|2,0,0]=4 8338 B11R0.40 CCOCCCOCC(=O)OC 7a_100000757476_100000747449 [1,1,0,0,0,0|2,0,0]=4 8339 B11R0.40 CCOCCCSCC(=O)OC 62a_100000747449_100012232248 [1,1,0,0,0,0|2,0,0]=4 8340 B11R0.40 CCOCCCSCC(=O)OC 62a_100012232248_100000747449 [1,1,0,0,0,0|2,0,0]=4 8341 B11R0.40 CCOCCNCCC(=O)OC 2230a_102516460346_100000204255 [1,1,0,0,0,0|2,0,0]=4 8342 B11R0.40 CCOCCNCCC(=O)OC 34a_102516460346_100000742370 [1,1,0,0,0,0|2,0,0]=4 8343 B11R0.40 CCOCCOCCC(=O)CO 1458a_100000210174_100011211534 [1,1,0,0,0,0|2,0,0]=4 8344 B11R0.40 CCOCCOCCC(=O)OC 34a_100000210136_100000742370 [1,1,0,0,0,0|2,0,0]=4 8345 B11R0.40 CCOCCOCCC(=O)OC 7a_100000210136_100000204255 [1,1,0,0,0,0|2,0,0]=4 8346 B11R0.40 CCOCCSCCC(=O)OC 62a_100000204255_100011215890 [1,1,0,0,0,0|2,0,0]=4 8347 B11R0.40 CCOCCSCCC(=O)OC 62a_100000210147_100000204255 [1,1,0,0,0,0|2,0,0]=4 8348 B11R0.40 CCOCSCCCC(=O)OC 62a_100000739092_100011218270 [1,1,0,0,0,0|2,0,0]=4 8349 B11R0.40 CCOCSCCCC(=O)OC 62a_100011218270_100000739092 [1,1,0,0,0,0|2,0,0]=4 8350 B11R0.40 CCSCCCCCC(=O)OC 62a_100000210202_100009816466 [1,1,0,0,0,0|1,0,0]=3 8351 B11R0.40 CCSCCCCCC(=O)OC 62a_100009816466_100000210202 [1,1,0,0,0,0|1,0,0]=3 8352 B11R0.40 CCSCCCOCC(=O)OC 34a_100011216438_100000747449 [1,1,0,0,0,0|2,0,0]=4 8353 B11R0.40 CCSCCCOCC(=O)OC 7a_100011216438_100000747449 [1,1,0,0,0,0|2,0,0]=4 8354 B11R0.40 CCSCCNCCC(=O)OC 2230a_100000106463_100000204255 [1,1,0,0,0,0|2,0,0]=4 8355 B11R0.40 CCSCCOCCC(=O)OC 34a_100000212035_100000742370 [1,1,0,0,0,0|2,0,0]=4 8356 B11R0.40 CCSCCOCCC(=O)OC 7a_100000212035_100000204255 [1,1,0,0,0,0|2,0,0]=4 8357 B11R0.40 CCSCCSCCC(=O)OC 62a_100000204255_100000757381 [1,1,0,0,0,0|2,0,0]=4 8358 B11R0.40 CCSCCSCCC(=O)OC 62a_100000757381_100000204255 [1,1,0,0,0,0|2,0,0]=4 8359 B11R0.40 CNC(=O)CCCCCCCO 240690a_100102657272_100011219782 [1,1,0,0,0,0|2,0,0]=4 8360 B11R0.40 CNCCCCCCC(=O)OC 2230a_106832991635_100009815986 [1,1,0,0,0,0|1,0,0]=3 8361 B11R0.40 CNCCCCCCC(=O)OC 34a_100102657272_100009815986 [1,1,0,0,0,0|1,0,0]=3 8362 B11R0.40 CNCCCCCCC(=O)OC 7a_106832991635_100009815986 [1,1,0,0,0,0|1,0,0]=3 8363 B11R0.40 CNCCCOCCC(=O)OC 34a_100000213112_100000742370 [1,1,0,0,0,0|2,0,0]=4 8364 B11R0.40 COC(=O)CCCCCCO[13CH3] 34a_100009863599_200025704644 [1,1,0,0,0,0|1,0,0]=3 8365 B11R0.40 COC(=O)CCCCCCO[13CH3] 7a_100009863599_200025704644 [1,1,0,0,0,0|1,0,0]=3 8366 B11R0.40 COC(=O)CCCCCCSC 62a_100009815986_200000210301 [1,1,0,0,0,0|1,0,0]=3 8367 B11R0.40 COC(=O)CCCCCCSC 62a_200000210301_100009815986 [1,1,0,0,0,0|1,0,0]=3 8368 B11R0.40 COC(=O)CCCCCCS[13CH3] 62a_100009815986_200025704644 [1,1,0,0,0,0|1,0,0]=3 8369 B11R0.40 COC(=O)CCCCCCS[13CH3] 62a_200025704644_100009815986 [1,1,0,0,0,0|1,0,0]=3 8370 B11R0.40 COC(=O)CCCCCOCF 34a_100000074720_100015361967 [1,1,0,0,0,0|2,0,0]=4 8371 B11R0.40 COC(=O)CCCCCOCF 7a_100000074720_100015361967 [1,1,0,0,0,0|2,0,0]=4 8372 B11R0.40 COC(=O)CCCCCSCF 62a_100009816466_100015361967 [1,1,0,0,0,0|2,0,0]=4 8373 B11R0.40 COC(=O)CCCCCSCF 62a_100015361967_100009816466 [1,1,0,0,0,0|2,0,0]=4 8374 B11R0.40 COC(=O)CCCCNCCF 34a_100000724931_100000204269 [1,1,0,0,0,0|2,0,0]=4 8375 B11R0.40 COC(=O)CCCCNCCO 2230a_100016997473_100000204269 [1,1,0,0,0,0|2,0,0]=4 8376 B11R0.40 COC(=O)CCCCNCCO 34a_100016990907_100000204269 [1,1,0,0,0,0|2,0,0]=4 8377 B11R0.40 COC(=O)CCCCOCCBr 34a_100000211926_100000204269 [1,1,0,0,0,0|2,0,0]=4 8378 B11R0.40 COC(=O)CCCCOCCF 34a_100000059025_100011217306 [1,1,0,0,0,0|2,0,0]=4 8379 B11R0.40 COC(=O)CCCCOCCF 7a_100000059025_100011217306 [1,1,0,0,0,0|2,0,0]=4 8380 B11R0.40 COC(=O)CCCCOCCN 34a_100000210304_100000204269 [1,1,0,0,0,0|2,0,0]=4 8381 B11R0.40 COC(=O)CCCCOCCO 34a_100000059025_100000211926 [1,1,0,0,0,0|2,0,0]=4 8382 B11R0.40 COC(=O)CCCCOCCO 7a_100000059025_100000211926 [1,1,0,0,0,0|2,0,0]=4 8383 B11R0.40 COC(=O)CCCCOCSC 34a_100000059025_100011218213 [1,1,0,0,0,0|2,0,0]=4 8384 B11R0.40 COC(=O)CCCCSCCF 62a_100000204269_100011217306 [1,1,0,0,0,0|2,0,0]=4 8385 B11R0.40 COC(=O)CCCCSCCF 62a_100011217306_100000204269 [1,1,0,0,0,0|2,0,0]=4 8386 B11R0.40 COC(=O)CCCCSCCO 62a_100000204269_100000211926 [1,1,0,0,0,0|2,0,0]=4 8387 B11R0.40 COC(=O)CCCCSCCO 62a_100000211926_100000204269 [1,1,0,0,0,0|2,0,0]=4 8388 B11R0.40 COC(=O)CCCCSCSC 62a_100000204269_100011218213 [1,1,0,0,0,0|2,0,0]=4 8389 B11R0.40 COC(=O)CCCCSCSC 62a_100011218213_100000204269 [1,1,0,0,0,0|2,0,0]=4 8390 B11R0.40 COC(=O)CCCNCCCF 2230a_100015189416_100011218270 [1,1,0,0,0,0|2,0,0]=4 8391 B11R0.40 COC(=O)CCCNCCCF 34a_100015189416_100000742333 [1,1,0,0,0,0|2,0,0]=4 8392 B11R0.40 COC(=O)CCCNCCSC 2230a_100020590264_100011218270 [1,1,0,0,0,0|2,0,0]=4 8393 B11R0.40 COC(=O)CCCOCCCBr 34a_100011217188_100000742333 [1,1,0,0,0,0|2,0,0]=4 8394 B11R0.40 COC(=O)CCCOCCCCl 34a_100000230001_100000742333 [1,1,0,0,0,0|2,0,0]=4 8395 B11R0.40 COC(=O)CCCOCCCF 34a_100000759539_100000742333 [1,1,0,0,0,0|2,0,0]=4 8396 B11R0.40 COC(=O)CCCOCCCN 34a_100000182051_100000742333 [1,1,0,0,0,0|2,0,0]=4 8397 B11R0.40 COC(=O)CCCOCCSC 34a_100000230434_100000742333 [1,1,0,0,0,0|2,0,0]=4 8398 B11R0.40 COC(=O)CCCOCCSC 7a_100000230434_100011218270 [1,1,0,0,0,0|2,0,0]=4 8399 B11R0.40 COC(=O)CCCSCCCF 62a_100011218270_100011934791 [1,1,0,0,0,0|2,0,0]=4 8400 B11R0.40 COC(=O)CCCSCCCF 62a_100011934791_100011218270 [1,1,0,0,0,0|2,0,0]=4 8401 B11R0.40 COC(=O)CCCSCCCO 62a_100011215043_100011218270 [1,1,0,0,0,0|2,0,0]=4 8402 B11R0.40 COC(=O)CCCSCCCO 62a_100011218270_100011215043 [1,1,0,0,0,0|2,0,0]=4 8403 B11R0.40 COC(=O)CCCSCCSC 62a_100000212216_100011218270 [1,1,0,0,0,0|2,0,0]=4 8404 B11R0.40 COC(=O)CCCSCCSC 62a_100011218270_100000751147 [1,1,0,0,0,0|2,0,0]=4 8405 B11R0.40 COC(=O)CCNCCCCO 2230a_100000750430_100000204255 [1,1,0,0,0,0|2,0,0]=4 8406 B11R0.40 COC(=O)CCNCCCCO 34a_100000750430_100000742370 [1,1,0,0,0,0|2,0,0]=4 8407 B11R0.40 COC(=O)CCNCCCSC 2230a_100000749238_100000204255 [1,1,0,0,0,0|2,0,0]=4 8408 B11R0.40 COC(=O)CCOCCCCBr 34a_100011216708_100000742370 [1,1,0,0,0,0|2,0,0]=4 8409 B11R0.40 COC(=O)CCOCCCCCl 34a_100000210776_100000742370 [1,1,0,0,0,0|2,0,0]=4 8410 B11R0.40 COC(=O)CCOCCCCCl 7a_100000210776_100000204255 [1,1,0,0,0,0|2,0,0]=4 8411 B11R0.40 COC(=O)CCOCCCCF 34a_100011995726_100000742370 [1,1,0,0,0,0|2,0,0]=4 8412 B11R0.40 COC(=O)CCOCCCCF 7a_100011995726_100000204255 [1,1,0,0,0,0|2,0,0]=4 8413 B11R0.40 COC(=O)CCOCCCCI 34a_200012148704_100000742370 [1,1,0,0,0,0|2,0,0]=4 8414 B11R0.40 COC(=O)CCOCCCCN 34a_100000750430_100000742370 [1,1,0,0,0,0|2,0,0]=4 8415 B11R0.40 COC(=O)CCOCCCSC 34a_100000690336_100000742370 [1,1,0,0,0,0|2,0,0]=4 8416 B11R0.40 COC(=O)CCOCCCSC 7a_100000690336_100000204255 [1,1,0,0,0,0|2,0,0]=4 8417 B11R0.40 COC(=O)CCSCCCCF 62a_100000204255_100000729493 [1,1,0,0,0,0|2,0,0]=4 8418 B11R0.40 COC(=O)CCSCCCCF 62a_100000729493_100000204255 [1,1,0,0,0,0|2,0,0]=4 8419 B11R0.40 COC(=O)CCSCCCCO 62a_100000204255_100000210776 [1,1,0,0,0,0|2,0,0]=4 8420 B11R0.40 COC(=O)CCSCCCCO 62a_100000210776_100000204255 [1,1,0,0,0,0|2,0,0]=4 8421 B11R0.40 COC(=O)CNCCCCCO 2230a_100000762737_100000747449 [1,1,0,0,0,0|2,0,0]=4 8422 B11R0.40 COC(=O)CNCCCCCO 34a_100000762737_100000747449 [1,1,0,0,0,0|2,0,0]=4 8423 B11R0.40 COC(=O)COCCCCCBr 34a_100000746331_100000747449 [1,1,0,0,0,0|2,0,0]=4 8424 B11R0.40 COC(=O)COCCCCCBr 7a_100000746331_100000747449 [1,1,0,0,0,0|2,0,0]=4 8425 B11R0.40 COC(=O)COCCCCCCl 34a_100000746330_100000747449 [1,1,0,0,0,0|2,0,0]=4 8426 B11R0.40 COC(=O)COCCCCCCl 7a_100000746330_100000747449 [1,1,0,0,0,0|2,0,0]=4 8427 B11R0.40 COC(=O)COCCCCCI 34a_200012148887_100000747449 [1,1,0,0,0,0|2,0,0]=4 8428 B11R0.40 COC(=O)COCCCCCI 7a_200012148887_100000747449 [1,1,0,0,0,0|2,0,0]=4 8429 B11R0.40 COC(=O)COCCCCCN 34a_100000762737_100000747449 [1,1,0,0,0,0|2,0,0]=4 8430 B11R0.40 COC(=O)COCCCCSC 34a_100011217163_100000747449 [1,1,0,0,0,0|2,0,0]=4 8431 B11R0.40 COC(=O)COCCCCSC 7a_100011217163_100000747449 [1,1,0,0,0,0|2,0,0]=4 8432 B11R0.40 COC(=O)CSCCCCCF 62a_100000729378_100000747449 [1,1,0,0,0,0|2,0,0]=4 8433 B11R0.40 COC(=O)CSCCCCCF 62a_100000747449_100000729378 [1,1,0,0,0,0|2,0,0]=4 8434 B11R0.40 COC(=O)CSCCCCCO 62a_100000746330_100000747449 [1,1,0,0,0,0|2,0,0]=4 8435 B11R0.40 COC(=O)CSCCCCCO 62a_100000747449_100000746330 [1,1,0,0,0,0|2,0,0]=4 8436 B11R0.40 COCCCCCCC(=O)CO 1458a_100000210174_100011998445 [1,1,0,0,0,0|1,0,0]=3 8437 B11R0.40 COCCCCCCC(=O)OC 34a_100009863599_200000210301 [1,1,0,0,0,0|1,0,0]=3 8438 B11R0.40 COCCCCCCC(=O)OC 34a_100138415774_100009815986 [1,1,0,0,0,0|1,0,0]=3 8439 B11R0.40 COCCCCCCC(=O)OC 7a_100009863599_200000210301 [1,1,0,0,0,0|1,0,0]=3 8440 B11R0.40 COCCCCCNC(=O)CO 240690a_100000747528_100000210174 [1,1,0,0,0,0|2,0,0]=4 8441 B11R0.40 COCCCCCNC(=O)CO 527a_100000747528_100000210174 [1,1,0,0,0,0|2,0,0]=4 8442 B11R0.40 COCCCCOCC(=O)OC 34a_100000740925_100000747449 [1,1,0,0,0,0|2,0,0]=4 8443 B11R0.40 COCCCCSCC(=O)OC 62a_100000730899_100000747449 [1,1,0,0,0,0|2,0,0]=4 8444 B11R0.40 COCCCCSCC(=O)OC 62a_100000747449_100000730899 [1,1,0,0,0,0|2,0,0]=4 8445 B11R0.40 COCCCNCCC(=O)OC 34a_100150723488_100000742370 [1,1,0,0,0,0|2,0,0]=4 8446 B11R0.40 COCCCOCCC(=O)OC 34a_100000740835_100000742370 [1,1,0,0,0,0|2,0,0]=4 8447 B11R0.40 COCCCSCCC(=O)OC 62a_100000204255_100000709357 [1,1,0,0,0,0|2,0,0]=4 8448 B11R0.40 COCCCSCCC(=O)OC 62a_100000709357_100000204255 [1,1,0,0,0,0|2,0,0]=4 8449 B11R0.40 COCCNCCCC(=O)OC 2230a_100000209980_100011218270 [1,1,0,0,0,0|2,0,0]=4 8450 B11R0.40 COCCOCCCC(=O)CO 1458a_100000210174_100011216529 [1,1,0,0,0,0|2,0,0]=4 8451 B11R0.40 COCCOCCCC(=O)OC 34a_100000210237_100000742333 [1,1,0,0,0,0|2,0,0]=4 8452 B11R0.40 COCCSCCCC(=O)OC 62a_100000233755_100011218270 [1,1,0,0,0,0|2,0,0]=4 8453 B11R0.40 COCCSCCCC(=O)OC 62a_100011218270_100000233755 [1,1,0,0,0,0|2,0,0]=4 8454 B11R0.40 COCSCCCCC(=O)OC 62a_100000204269_100000766300 [1,1,0,0,0,0|2,0,0]=4 8455 B11R0.40 COCSCCCCC(=O)OC 62a_100000766300_100000204269 [1,1,0,0,0,0|2,0,0]=4 8456 B11R0.40 N#CCCCCCCC(=O)CO 1458a_100000210174_100009813337 [1,1,0,0,0,0|1,0,1]=4 8457 B11R0.40 O=C(CF)CCCCCCCO 1458a_100011219782_100015361967 [1,1,0,0,0,0|2,0,0]=4 8458 B11R0.40 O=C(CO)CCCCCCCO 1458a_100000210174_100000760002 [1,1,0,0,0,0|1,0,0]=3 8459 B11R0.40 O=C(CO)NCCCCCCO 240690a_100000686447_100000210174 [1,1,0,0,0,0|2,0,0]=4 8460 B11R0.40 O=C(CO)NCCCCCCO 527a_100000686447_100000210174 [1,1,0,0,0,0|2,0,0]=4 8461 B11R0.42 CC(CNCCCCF)C(=O)O 269956a_100000749485_100000729493 [1,1,0,0,0,0|2,0,0]=4 8462 B11R0.42 CC(CNCCCCO)C(=O)O 269956a_100000749485_100000210776 [1,1,0,0,0,0|2,0,0]=4 8463 B11R0.42 CCCCCCCC(C)C(=O)C 1458a_100000070787_200011218727 [1,1,0,0,0,0|1,0,0]=3 8464 B11R0.42 CCCCCCCN(C)C(=O)C 11a_100000228206_100015343762 [1,1,0,0,0,0|2,0,0]=4 8465 B11R0.42 CCCCCCCN(C)C(=O)C 1626a_100000228206_100015343762 [1,1,0,0,0,0|2,0,0]=4 8466 B11R0.42 CCCCCCCN(C)C(=O)C 240690a_100000228206_100015343762 [1,1,0,0,0,0|2,0,0]=4 8467 B11R0.42 CCCCCCCN(C)C(=O)C 527a_100000228206_100103153847 [1,1,0,0,0,0|2,0,0]=4 8468 B11R0.42 CCCCCCNC(C)C(=O)C 2230a_100000210581_100009814033 [1,1,0,0,0,0|2,0,0]=4 8469 B11R0.42 CCCCCCNC(C)C(=O)N 2230a_100000210581_100000702099 [1,1,0,0,0,0|2,0,0]=4 8470 B11R0.42 CCCCCCNC(F)C(=O)N 2230a_100000210581_100009813875 [1,1,0,0,0,0|2,0,0]=4 8471 B11R0.42 CCCCCCN[C@@H](C)C(=O)O 269956a_100000743915_100000210757 [1,1,0,0,0,0|1,0,0]=3 8472 B11R0.42 CCCCCCN[C@H](C)C(=O)N 2230a_100000119354_100000210314 [1,1,0,0,0,0|2,0,0]=4 8473 B11R0.42 CCCCCCN[C@H](C)C(=O)N 34a_100000119354_100000210314 [1,1,0,0,0,0|2,0,0]=4 8474 B11R0.42 CCCCCCOC(C)C(=O)C 34a_100000212229_100000210314 [1,1,0,0,0,0|2,0,0]=4 8475 B11R0.42 CCCCCCOC(C)C(=O)C 7a_100000210259_100000179758 [1,1,0,0,0,0|2,0,0]=4 8476 B11R0.42 CCCCCCOC(C)C(=O)N 34a_100000210259_100000702099 [1,1,0,0,0,0|2,0,0]=4 8477 B11R0.42 CCCCCCOC(C)C(=O)N 7a_100000210259_100000702099 [1,1,0,0,0,0|2,0,0]=4 8478 B11R0.42 CCCCCCOC(F)C(=O)N 34a_100000210259_100009813875 [1,1,0,0,0,0|2,0,0]=4 8479 B11R0.42 CCCCCCOC(F)C(=O)N 7a_100000210259_100009813875 [1,1,0,0,0,0|2,0,0]=4 8480 B11R0.42 CCCCCCOC(F)C(=O)[O-] 34a_100000210259_100020610796 [1,1,0,0,0,0|1,0,1]=4 8481 B11R0.42 CCCCCCO[C@@H](C)C(=O)[O-] 7a_217856618621_100000210314 [1,1,0,0,0,0|1,0,1]=4 8482 B11R0.42 CCCCCCO[C@H](C)C(=O)N 34a_100000731257_100000210314 [1,1,0,0,0,0|2,0,0]=4 8483 B11R0.42 CCCCCCO[C@H](C)C(=O)N 7a_100000731257_100000210314 [1,1,0,0,0,0|2,0,0]=4 8484 B11R0.42 CCCCCCSC(C)C(=O)C 62a_100000210314_100009814033 [1,1,0,0,0,0|2,0,0]=4 8485 B11R0.42 CCCCCCSC(C)C(=O)C 62a_100009814033_100000210757 [1,1,0,0,0,0|2,0,0]=4 8486 B11R0.42 CCCCCCSC(C)C(=O)N 62a_100000210314_100000702099 [1,1,0,0,0,0|2,0,0]=4 8487 B11R0.42 CCCCCCSC(C)C(=O)N 62a_100000702099_100000210757 [1,1,0,0,0,0|2,0,0]=4 8488 B11R0.42 CCCCCCSC(F)C(=O)N 62a_100000210314_100009813875 [1,1,0,0,0,0|2,0,0]=4 8489 B11R0.42 CCCCCCSC(F)C(=O)N 62a_100009813875_100000210757 [1,1,0,0,0,0|2,0,0]=4 8490 B11R0.42 CCCCCCSC(F)C(=O)[O-] 62a_100000210314_100020610796 [1,1,0,0,0,0|1,0,1]=4 8491 B11R0.42 CCCCCCSC(F)C(=O)[O-] 62a_100020610796_100000210757 [1,1,0,0,0,0|1,0,1]=4 8492 B11R0.42 CCCCCNCC(C)C(=O)O 269956a_100000749485_100000210326 [1,1,0,0,0,0|1,0,0]=3 8493 B11R0.42 CCCCCNCC(F)C(=O)O 269956a_100000084737_100000210326 [1,1,0,0,0,0|1,0,0]=3 8494 B11R0.42 CCCCCOCC(C)C(=O)C 34a_100000032740_100000718602 [1,1,0,0,0,0|2,0,0]=4 8495 B11R0.42 CCCCCOCC(C)C(=O)C 7a_100000032740_100000210326 [1,1,0,0,0,0|2,0,0]=4 8496 B11R0.42 CCCCCOC[C@H](N)C(=O)N 34a_100000729942_100000718602 [1,1,0,0,0,0|2,0,0]=4 8497 B11R0.42 CCCCOCN[C@@H](C)C(=O)O 269956a_100000743915_100011995733 [1,1,0,0,0,0|2,0,0]=4 8498 B11R0.42 CCCOCCN[C@@H](C)C(=O)O 269956a_100000743915_100011215938 [1,1,0,0,0,0|2,0,0]=4 8499 B11R0.42 CCOCCCN[C@@H](C)C(=O)O 269956a_100000743915_100012232248 [1,1,0,0,0,0|2,0,0]=4 8500 B11R0.42 CCOCCNCC(C)C(=O)O 269956a_100000749485_100000210147 [1,1,0,0,0,0|2,0,0]=4 8501 B11R0.42 CCOCCNCC(F)C(=O)O 269956a_100000084737_100000210147 [1,1,0,0,0,0|2,0,0]=4 8502 B11R0.42 CCSCCNCC(C)C(=O)O 269956a_100000749485_100000757381 [1,1,0,0,0,0|2,0,0]=4 8503 B11R0.42 CCSCCNCC(F)C(=O)O 269956a_100000084737_100000757381 [1,1,0,0,0,0|2,0,0]=4 8504 B11R0.42 COCCCCN[C@@H](C)C(=O)O 269956a_100000743915_100000730899 [1,1,0,0,0,0|2,0,0]=4 8505 B11R0.42 COCCCNCC(C)C(=O)O 269956a_100000749485_100000740836 [1,1,0,0,0,0|2,0,0]=4 8506 B11R0.42 COCCCNCC(F)C(=O)O 269956a_100000084737_100000740836 [1,1,0,0,0,0|2,0,0]=4 8507 B11R0.42 C[C@H](NCCCCCF)C(=O)O 269956a_100000743915_100000729378 [1,1,0,0,0,0|2,0,0]=4 8508 B11R0.42 C[C@H](NCCCCCO)C(=O)O 269956a_100000743915_100000746330 [1,1,0,0,0,0|2,0,0]=4 8509 B11R0.42 O=C(O)C(F)CNCCCCF 269956a_100000084737_100000729493 [1,1,0,0,0,0|2,0,0]=4 8510 B11R0.42 O=C(O)C(F)CNCCCCO 269956a_100000084737_100000210776 [1,1,0,0,0,0|2,0,0]=4 8511 B11R0.46 CCCCCC(=O)CCC(=O)N 1458a_100011215257_100000210326 [1,1,0,0,0,0|1,0,1]=4 8512 B11R0.46 CCCCCC(C)CCC(=O)C 1458a_100000034243_200000210301 [1,1,0,0,0,0|1,0,0]=3 8513 B11R0.46 CCCCCC(C)CCC(=O)[13CH3] 1458a_100000034243_200025704644 [1,1,0,0,0,0|1,0,0]=3 8514 B11R0.46 CCCCCC(C)NCC(=O)N 2230a_100000211957_100000747473 [1,1,0,0,0,0|2,0,0]=4 8515 B11R0.46 CCCCCC(C)NCC(=O)N 2230a_100000711301_200011218191 [1,1,0,0,0,0|2,0,0]=4 8516 B11R0.46 CCCCCC(C)NCC(=O)O 269956a_100016091260_200011218191 [1,1,0,0,0,0|1,0,0]=3 8517 B11R0.46 CCCCCC(C)OCC(=O)C 34a_100000211253_200011218191 [1,1,0,0,0,0|2,0,0]=4 8518 B11R0.46 CCCCCC(C)OCC(=O)N 34a_100011215632_100000187820 [1,1,0,0,0,0|2,0,0]=4 8519 B11R0.46 CCCCCC(C)OCC(=O)N 7a_100011215632_100000187820 [1,1,0,0,0,0|2,0,0]=4 8520 B11R0.46 CCCCCC(C)OCC(=O)[O-] 34a_100011215632_100020667443 [1,1,0,0,0,0|1,0,1]=4 8521 B11R0.46 CCCCCC(C)SCC(=O)N 62a_100000747473_200011218191 [1,1,0,0,0,0|2,0,0]=4 8522 B11R0.46 CCCCCC(C)SCC(=O)N 62a_200011218191_100000747473 [1,1,0,0,0,0|2,0,0]=4 8523 B11R0.46 CCCCCC(C)SCC(=O)[O-] 62a_100020667443_200011218191 [1,1,0,0,0,0|1,0,1]=4 8524 B11R0.46 CCCCCC(C)SCC(=O)[O-] 62a_200011218191_100020667443 [1,1,0,0,0,0|1,0,1]=4 8525 B11R0.46 CCCCCN(C)CCC(=O)C 1458a_100016987678_200000210301 [1,1,0,0,0,0|2,0,0]=4 8526 B11R0.46 CCCCCN(C)CCC(=O)C 269982a_100000223495_100000053229 [1,1,0,0,0,0|2,0,0]=4 8527 B11R0.46 CCCCCN(C)CCC(=O)N 2230a_100000223495_100000744528 [1,1,0,0,0,0|2,0,0]=4 8528 B11R0.46 CCCCCN(C)CCC(=O)N 2230a_100000730477_100000210326 [1,1,0,0,0,0|2,0,0]=4 8529 B11R0.46 CCCCCN(C)CCC(=O)N 269982a_100000223495_100000744528 [1,1,0,0,0,0|2,0,0]=4 8530 B11R0.46 CCCCCN(C)CCC(=O)[13CH3] 1458a_100016987678_200025704644 [1,1,0,0,0,0|2,0,0]=4 8531 B11R0.111 CCC(=O)CCCCCC(=O)N 1458a_100000210414_100009817443 [1,1,0,0,0,0|1,0,1]=4 8532 B11R0.111 CCC(C)CCCOCC(=O)N 7a_100011216074_100000187820 [1,1,0,0,0,0|2,0,0]=4 8533 B11R0.111 CCC(C)CCNCCC(=O)N 2230a_100020591266_100000744528 [1,1,0,0,0,0|2,0,0]=4 8534 B11R0.111 CCC(C)CCOCCC(=O)C 7a_100011215188_100000053229 [1,1,0,0,0,0|2,0,0]=4 8535 B11R0.111 CCC(C)CCOCCC(=O)N 7a_100011215188_100000744528 [1,1,0,0,0,0|2,0,0]=4 8536 B11R0.111 CCC(C)CNCCCC(=O)N 34a_100000739312_100000748023 [1,1,0,0,0,0|2,0,0]=4 8537 B11R0.111 CCC(C)COCCCC(=O)C 34a_100000759063_100000748023 [1,1,0,0,0,0|2,0,0]=4 8538 B11R0.111 CCC(C)COCCCC(=O)C 7a_100000759063_100000748023 [1,1,0,0,0,0|2,0,0]=4 8539 B11R0.111 CCC(C)CSCCCC(=O)C 62a_100000748023_100011215641 [1,1,0,0,0,0|2,0,0]=4 8540 B11R0.111 CCC(C)CSCCCC(=O)C 62a_100011215641_100000748023 [1,1,0,0,0,0|2,0,0]=4 8541 B11R0.111 CCC(C)CSCCCC(=O)N 62a_100000748023_100102525003 [1,1,0,0,0,0|2,0,0]=4 8542 B11R0.111 CCC(C)CSCCCC(=O)N 62a_100102525003_100000748023 [1,1,0,0,0,0|2,0,0]=4 8543 B11R0.111 CCC(C)NCCCCC(=O)N 34a_100000696515_100011215416 [1,1,0,0,0,0|2,0,0]=4 8544 B11R0.111 CCC(C)NCCOCC(=O)O 269956a_100000700818_100000758301 [1,1,0,0,0,0|2,0,0]=4 8545 B11R0.111 CCC(C)OCCCCC(=O)C 7a_100000210228_100000735457 [1,1,0,0,0,0|2,0,0]=4 8546 B11R0.111 CCC(C)OCCCCC(=O)N 34a_100012022536_100011215416 [1,1,0,0,0,0|2,0,0]=4 8547 B11R0.111 CCC(C)OCCCCC(=O)N 7a_100012022536_100000758301 [1,1,0,0,0,0|2,0,0]=4 8548 B11R0.111 CCC(C)SCCCCC(=O)C 62a_100000735457_100000758301 [1,1,0,0,0,0|2,0,0]=4 8549 B11R0.111 CCC(C)SCCCCC(=O)C 62a_100000758301_100000735457 [1,1,0,0,0,0|2,0,0]=4 8550 B11R0.111 CCC(O)CNCCCC(=O)N 34a_100000739312_100011218378 [1,1,0,0,0,0|2,0,0]=4 8551 B11R0.111 CCC(O)COCCCC(=O)C 34a_100000759063_100011218378 [1,1,0,0,0,0|2,0,0]=4 8552 B11R0.111 CCC(O)COCCCC(=O)C 7a_100000759063_100011218378 [1,1,0,0,0,0|2,0,0]=4 8553 B11R0.111 CCC(O)CSCCCC(=O)C 62a_100011215641_100011218378 [1,1,0,0,0,0|2,0,0]=4 8554 B11R0.111 CCC(O)CSCCCC(=O)C 62a_100011218378_100011215641 [1,1,0,0,0,0|2,0,0]=4 8555 B11R0.111 CCC(O)CSCCCC(=O)N 62a_100011218378_100102525003 [1,1,0,0,0,0|2,0,0]=4 8556 B11R0.111 CCC(O)CSCCCC(=O)N 62a_100102525003_100011218378 [1,1,0,0,0,0|2,0,0]=4 8557 B11R0.111 CCN(C)CCCCCC(=O)N 2230a_100000225621_100009817443 [1,1,0,0,0,0|2,0,0]=4 8558 B11R0.111 CCN(C)CCCCCC(=O)N 269982a_100000225621_100009817443 [1,1,0,0,0,0|2,0,0]=4 8559 B11R0.111 CCN(C)CCCNCC(=O)O 269956a_100016091260_100015186262 [1,1,0,0,0,0|2,0,0]=4 8560 B11R0.111 CC[C@H](C)CNCCCC(=O)N 34a_100000739312_100009816398 [1,1,0,0,0,0|2,0,0]=4 8561 B11R0.111 CC[C@H](C)COCCCC(=O)C 34a_100000759063_100009816398 [1,1,0,0,0,0|2,0,0]=4 8562 B11R0.111 CC[C@H](C)COCCCC(=O)C 7a_100000759063_100009816398 [1,1,0,0,0,0|2,0,0]=4 8563 B11R0.111 CC[C@H](C)COCCCC(=O)C 7a_100009816381_100011215641 [1,1,0,0,0,0|2,0,0]=4 8564 B11R0.111 CC[C@H](C)COCCCC(=O)N 7a_100009816381_100102525003 [1,1,0,0,0,0|2,0,0]=4 8565 B11R0.111 CC[C@H](C)CSCCCC(=O)C 62a_100009816398_100011215641 [1,1,0,0,0,0|2,0,0]=4 8566 B11R0.111 CC[C@H](C)CSCCCC(=O)C 62a_100011215641_100009816398 [1,1,0,0,0,0|2,0,0]=4 8567 B11R0.111 CC[C@H](C)CSCCCC(=O)N 62a_100009816398_100102525003 [1,1,0,0,0,0|2,0,0]=4 8568 B11R0.111 CC[C@H](C)CSCCCC(=O)N 62a_100102525003_100009816398 [1,1,0,0,0,0|2,0,0]=4 8569 B11R0.147 CCCCC(=O)CCCC(=O)C 1458a_100000210183_100011215641 [1,1,0,0,0,0|1,0,1]=4 8570 B11R0.147 CCCCC(=O)CCCC(=O)N 1458a_100000210183_100102525003 [1,1,0,0,0,0|1,0,1]=4 8571 B11R0.147 CCCCC(C)COCC(=O)N 34a_100011995851_100000187820 [1,1,0,0,0,0|2,0,0]=4 8572 B11R0.147 CCCCC(C)COCC(=O)N 7a_100011995851_100000187820 [1,1,0,0,0,0|2,0,0]=4 8573 B11R0.147 CCCCC(C)COCC(=O)[O-] 34a_100011995851_100020667443 [1,1,0,0,0,0|1,0,1]=4 8574 B11R0.147 CCCCC(C)NCCC(=O)N 2230a_100000126638_100000744528 [1,1,0,0,0,0|2,0,0]=4 8575 B11R0.147 CCCCC(C)NOCC(=O)O 269956a_100000106656_200011215066 [1,1,0,0,0,0|2,0,0]=4 8576 B11R0.147 CCCCC(C)OCCC(=O)C 34a_100000759926_200011215066 [1,1,0,0,0,0|2,0,0]=4 8577 B11R0.147 CCCCC(C)OCCC(=O)C 7a_100000687866_100000053229 [1,1,0,0,0,0|2,0,0]=4 8578 B11R0.147 CCCCC(C)OCCC(=O)C 7a_100000759926_200011215066 [1,1,0,0,0,0|2,0,0]=4 8579 B11R0.147 CCCCC(C)OCCC(=O)N 34a_100000687866_100000731001 [1,1,0,0,0,0|2,0,0]=4 8580 B11R0.147 CCCCC(C)OCCC(=O)N 34a_100000757172_200011215066 [1,1,0,0,0,0|2,0,0]=4 8581 B11R0.147 CCCCC(C)OCCC(=O)N 7a_100000687866_100000744528 [1,1,0,0,0,0|2,0,0]=4 8582 B11R0.147 CCCCC(C)OCCC(=O)N 7a_100000757172_200011215066 [1,1,0,0,0,0|2,0,0]=4 8583 B11R0.147 CCCCC(C)SCCC(=O)C 62a_100000053229_200011215066 [1,1,0,0,0,0|2,0,0]=4 8584 B11R0.147 CCCCC(C)SCCC(=O)C 62a_200011215066_100000053229 [1,1,0,0,0,0|2,0,0]=4 8585 B11R0.147 CCCCC(C)SCCC(=O)N 62a_100000744528_200011215066 [1,1,0,0,0,0|2,0,0]=4 8586 B11R0.147 CCCCC(C)SCCC(=O)N 62a_200011215066_100000744528 [1,1,0,0,0,0|2,0,0]=4 8587 B11R0.147 CCCCN(C)CCCC(=O)C 269982a_100000207549_100011215641 [1,1,0,0,0,0|2,0,0]=4 8588 B11R0.147 CCCCN(C)CCCC(=O)N 269982a_100000207549_100102525003 [1,1,0,0,0,0|2,0,0]=4 8589 B11R0.147 CCCCN(C)CCCC(=O)O 269956a_100000719178_100000210211 [1,1,0,0,0,0|1,0,0]=3 8590 B11R0.147 CCCC[C@H](N)COCC(=O)N 34a_100011934283_100000187820 [1,1,0,0,0,0|2,0,0]=4 8591 B11R0.147 CCCC[C@H](N)COCC(=O)[O-] 34a_100011934283_100020667443 [1,1,0,0,0,0|1,0,1]=4 8592 B11R0.147 CCCOC(C)CCCC(=O)[O-] 7a_100000761597_100000210303 [1,1,0,0,0,0|1,0,1]=4 8593 B11R0.147 CCOCN(C)CCCC(=O)O 269956a_100000719178_100000739092 [1,1,0,0,0,0|2,0,0]=4 8594 B11R0.147 CN(CCCF)CCCC(=O)O 269956a_100000719178_100011934791 [1,1,0,0,0,0|2,0,0]=4 8595 B11R0.147 CN(CCCO)CCCC(=O)O 269956a_100000719178_100011215043 [1,1,0,0,0,0|2,0,0]=4 8596 B11R0.147 COCCN(C)CCCC(=O)O 269956a_100000719178_100000233755 [1,1,0,0,0,0|2,0,0]=4 8597 B11R0.147 CSCCN(C)CCCC(=O)O 269956a_100000719178_100000212216 [1,1,0,0,0,0|2,0,0]=4 8598 B11R0.176 CCCC(=O)CCCCC(=O)C 1458a_100000211992_100000735457 [1,1,0,0,0,0|1,0,1]=4 8599 B11R0.176 CCCC(C)CCOCC(=O)N 34a_100011217855_100000187820 [1,1,0,0,0,0|2,0,0]=4 8600 B11R0.176 CCCC(C)CCOCC(=O)N 7a_100011217855_100000187820 [1,1,0,0,0,0|2,0,0]=4 8601 B11R0.176 CCCC(C)CCOCC(=O)[O-] 34a_100011217855_100020667443 [1,1,0,0,0,0|1,0,1]=4 8602 B11R0.176 CCCC(C)CNOCC(=O)O 269956a_100000106656_100011216630 [1,1,0,0,0,0|2,0,0]=4 8603 B11R0.176 CCCC(C)COCCC(=O)C 34a_100000759926_100011216630 [1,1,0,0,0,0|2,0,0]=4 8604 B11R0.176 CCCC(C)COCCC(=O)C 7a_100000688023_100000053229 [1,1,0,0,0,0|2,0,0]=4 8605 B11R0.176 CCCC(C)COCCC(=O)C 7a_100000759926_100011216630 [1,1,0,0,0,0|2,0,0]=4 8606 B11R0.176 CCCC(C)COCCC(=O)N 34a_100000688023_100000731001 [1,1,0,0,0,0|2,0,0]=4 8607 B11R0.176 CCCC(C)COCCC(=O)N 34a_100000757172_100011216630 [1,1,0,0,0,0|2,0,0]=4 8608 B11R0.176 CCCC(C)COCCC(=O)N 7a_100000688023_100000744528 [1,1,0,0,0,0|2,0,0]=4 8609 B11R0.176 CCCC(C)COCCC(=O)N 7a_100000757172_100011216630 [1,1,0,0,0,0|2,0,0]=4 8610 B11R0.176 CCCC(C)CSCCC(=O)C 62a_100000053229_100011216630 [1,1,0,0,0,0|2,0,0]=4 8611 B11R0.176 CCCC(C)CSCCC(=O)C 62a_100011216630_100000053229 [1,1,0,0,0,0|2,0,0]=4 8612 B11R0.176 CCCC(C)CSCCC(=O)N 62a_100000744528_100011216630 [1,1,0,0,0,0|2,0,0]=4 8613 B11R0.176 CCCC(C)CSCCC(=O)N 62a_100011216630_100000744528 [1,1,0,0,0,0|2,0,0]=4 8614 B11R0.176 CCCC(C)NCCCC(=O)N 34a_100000739312_100000766640 [1,1,0,0,0,0|2,0,0]=4 8615 B11R0.176 CCCC(C)OCCCC(=O)C 34a_100000759063_100000766640 [1,1,0,0,0,0|2,0,0]=4 8616 B11R0.176 CCCC(C)OCCCC(=O)C 34a_100000764384_100000685027 [1,1,0,0,0,0|2,0,0]=4 8617 B11R0.176 CCCC(C)OCCCC(=O)C 7a_100000759063_100000766640 [1,1,0,0,0,0|2,0,0]=4 8618 B11R0.176 CCCC(C)OCCCC(=O)C 7a_100000764384_100011215641 [1,1,0,0,0,0|2,0,0]=4 8619 B11R0.176 CCCC(C)OCCCC(=O)N 34a_100000764384_100102525003 [1,1,0,0,0,0|2,0,0]=4 8620 B11R0.176 CCCC(C)OCCCC(=O)N 7a_100000764384_100102525003 [1,1,0,0,0,0|2,0,0]=4 8621 B11R0.176 CCCC(C)SCCCC(=O)C 62a_100000766640_100011215641 [1,1,0,0,0,0|2,0,0]=4 8622 B11R0.176 CCCC(C)SCCCC(=O)C 62a_100011215641_100000766640 [1,1,0,0,0,0|2,0,0]=4 8623 B11R0.176 CCCC(C)SCCCC(=O)N 62a_100000766640_100102525003 [1,1,0,0,0,0|2,0,0]=4 8624 B11R0.176 CCCC(C)SCCCC(=O)N 62a_100102525003_100000766640 [1,1,0,0,0,0|2,0,0]=4 8625 B11R0.176 CCCN(C)CCCCC(=O)C 269982a_100000747261_100000735457 [1,1,0,0,0,0|2,0,0]=4 8626 B11R0.176 CCC[C@H](N)CCOCC(=O)N 34a_100015193777_100000187820 [1,1,0,0,0,0|2,0,0]=4 8627 B11R0.176 CCC[C@H](N)CCOCC(=O)[O-] 34a_100015193777_100020667443 [1,1,0,0,0,0|1,0,1]=4 8628 B11R0.176 CCC[C@H](N)COCCC(=O)N 34a_100000732646_100000731001 [1,1,0,0,0,0|2,0,0]=4 8629 B11R0.3 C#CCCCCCCCCOC 34a_100000065265_200000210301 [1,1,0,0,0,0|1,0,1]=4 8630 B11R0.3 C#CCCCCCCCCOC 7a_100000065265_200000210301 [1,1,0,0,0,0|1,0,1]=4 8631 B11R0.3 C#CCCCCCCCCO[13CH3] 34a_100000065265_200025704644 [1,1,0,0,0,0|1,0,1]=4 8632 B11R0.3 C#CCCCCCCCCO[13CH3] 7a_100000065265_200025704644 [1,1,0,0,0,0|1,0,1]=4 8633 B11R0.3 C#CCCCCCCCNCC 2230a_100015525214_100153394163 [1,1,0,0,0,0|1,0,1]=4 8634 B11R0.3 C#CCCCCCCCOCC 34a_100000054614_100000210202 [1,1,0,0,0,0|1,0,1]=4 8635 B11R0.3 C#CCCCCCCCOCC 34a_100121572206_100153394163 [1,1,0,0,0,0|1,0,1]=4 8636 B11R0.3 C#CCCCCCCCOCC 7a_100000054614_100000210202 [1,1,0,0,0,0|1,0,1]=4 8637 B11R0.3 C#CCCCCCCCSCC 62a_100000210202_100153394163 [1,1,0,0,0,0|1,0,1]=4 8638 B11R0.3 C#CCCCCCCCSCC 62a_100153394163_100000210202 [1,1,0,0,0,0|1,0,1]=4 8639 B11R0.3 C#CCCCCCCOCC=O 34a_100011217361_200009817547 [1,1,0,0,0,0|0,0,2]=4 8640 B11R0.3 C#CCCCCCCOCC=O 7a_100011217361_200015260668 [1,1,0,0,0,0|0,0,2]=4 8641 B11R0.3 C#CCCCCCCOCCC 34a_100000210258_100012276617 [1,1,0,0,0,0|1,0,1]=4 8642 B11R0.3 C#CCCCCCCOCCC 34a_100011217361_100000210303 [1,1,0,0,0,0|1,0,1]=4 8643 B11R0.3 C#CCCCCCCOCCC 7a_100011217361_100000210303 [1,1,0,0,0,0|1,0,1]=4 8644 B11R0.3 C#CCCCCCCSCC=O 62a_100012276617_200015260668 [1,1,0,0,0,0|0,0,2]=4 8645 B11R0.3 C#CCCCCCCSCC=O 62a_200015260668_100012276617 [1,1,0,0,0,0|0,0,2]=4 8646 B11R0.3 C#CCCCCCCSCCC 62a_100000210303_100012276617 [1,1,0,0,0,0|1,0,1]=4 8647 B11R0.3 C#CCCCCCCSCCC 62a_100012276617_100000210303 [1,1,0,0,0,0|1,0,1]=4 8648 B11R0.3 C#CCCCCCNCCCC 2230a_100000102301_100012094781 [1,1,0,0,0,0|1,0,1]=4 8649 B11R0.3 C#CCCCCCNCCCC 7a_106832991798_100012094781 [1,1,0,0,0,0|1,0,1]=4 8650 B11R0.3 C#CCCCCCOCCCC 34a_100000210227_100012094781 [1,1,0,0,0,0|1,0,1]=4 8651 B11R0.3 C#CCCCCCOCCCC 34a_100000766912_100000210210 [1,1,0,0,0,0|1,0,1]=4 8652 B11R0.3 C#CCCCCCOCCCC 7a_100000210227_100012094781 [1,1,0,0,0,0|1,0,1]=4 8653 B11R0.3 C#CCCCCCOCCCC 7a_100000766912_100000210211 [1,1,0,0,0,0|1,0,1]=4 8654 B11R0.3 C#CCCCCCSCCCC 62a_100000210211_100012094781 [1,1,0,0,0,0|1,0,1]=4 8655 B11R0.3 C#CCCCCCSCCCC 62a_100012094781_100000210210 [1,1,0,0,0,0|1,0,1]=4 8656 B11R0.3 C#CCCCCNCCCC=O 2230a_100000706060_200011292268 [1,1,0,0,0,0|0,0,2]=4 8657 B11R0.3 C#CCCCCNCCCCC 2230a_100000209983_100010269958 [1,1,0,0,0,0|1,0,1]=4 8658 B11R0.3 C#CCCCCNCCCCC 2230a_100000706060_100000210326 [1,1,0,0,0,0|1,0,1]=4 8659 B11R0.3 C#CCCCCNCCCCC 34a_100000706060_100000718602 [1,1,0,0,0,0|1,0,1]=4 8660 B11R0.3 C#CCCCCOCCCC=O 7a_100000766709_200011292268 [1,1,0,0,0,0|0,0,2]=4 8661 B11R0.3 C#CCCCCOCCCCC 34a_100000210253_100010269958 [1,1,0,0,0,0|1,0,1]=4 8662 B11R0.3 C#CCCCCOCCCCC 34a_100000766709_100000718602 [1,1,0,0,0,0|1,0,1]=4 8663 B11R0.3 C#CCCCCOCCCCC 7a_100000210253_100010269958 [1,1,0,0,0,0|1,0,1]=4 8664 B11R0.3 C#CCCCCOCCCCC 7a_100000766709_100000210326 [1,1,0,0,0,0|1,0,1]=4 8665 B11R0.3 C#CCCCCSCCCC=O 62a_100010269958_200011292268 [1,1,0,0,0,0|0,0,2]=4 8666 B11R0.3 C#CCCCCSCCCC=O 62a_200011292268_100010269958 [1,1,0,0,0,0|0,0,2]=4 8667 B11R0.3 C#CCCCCSCCCCC 62a_100000210326_100010269958 [1,1,0,0,0,0|1,0,1]=4 8668 B11R0.3 C#CCCCCSCCCCC 62a_100010269958_100000210326 [1,1,0,0,0,0|1,0,1]=4 8669 B11R0.3 C#CCCCNCCCCCC 2230a_100000210581_100000731252 [1,1,0,0,0,0|1,0,1]=4 8670 B11R0.3 C#CCCCNCCCCCC 34a_100000718082_100000210314 [1,1,0,0,0,0|1,0,1]=4 8671 B11R0.3 C#CCCCOCCCCC=O 7a_100000215630_100000139335 [1,1,0,0,0,0|0,0,2]=4 8672 B11R0.3 C#CCCCOCCCCCC 34a_100000210259_100000695029 [1,1,0,0,0,0|1,0,1]=4 8673 B11R0.3 C#CCCCOCCCCCC 34a_100000215630_100000210314 [1,1,0,0,0,0|1,0,1]=4 8674 B11R0.3 C#CCCCOCCCCCC 7a_100000210259_100011215417 [1,1,0,0,0,0|1,0,1]=4 8675 B11R0.3 C#CCCCOCCCCCC 7a_100000215630_100000210314 [1,1,0,0,0,0|1,0,1]=4 8676 B11R0.3 C#CCCCSCCCCC=O 62a_100000139335_100011215417 [1,1,0,0,0,0|0,0,2]=4 8677 B11R0.3 C#CCCCSCCCCC=O 62a_100011215417_100000139335 [1,1,0,0,0,0|0,0,2]=4 8678 B11R0.3 C#CCCCSCCCCCC 62a_100000210314_100011215417 [1,1,0,0,0,0|1,0,1]=4 8679 B11R0.3 C#CCCCSCCCCCC 62a_100011215417_100000210757 [1,1,0,0,0,0|1,0,1]=4 8680 B11R0.3 C#CCCNCCCCCCC 2230a_100000229938_100000688953 [1,1,0,0,0,0|1,0,1]=4 8681 B11R0.3 C#CCCNCCCCCCC 34a_100000755551_100000210614 [1,1,0,0,0,0|1,0,1]=4 8682 B11R0.3 C#CCCOCCCCCCC 34a_100000210272_100000688953 [1,1,0,0,0,0|1,0,1]=4 8683 B11R0.3 C#CCCOCCCCCCC 34a_100011215631_100000210614 [1,1,0,0,0,0|1,0,1]=4 8684 B11R0.3 C#CCCOCCCCCCC 7a_100000210272_100000688953 [1,1,0,0,0,0|1,0,1]=4 8685 B11R0.3 C#CCCSCCCCCC=O 62a_100000139337_100000688953 [1,1,0,0,0,0|0,0,2]=4 8686 B11R0.3 C#CCCSCCCCCC=O 62a_100000688953_100000139337 [1,1,0,0,0,0|0,0,2]=4 8687 B11R0.3 C#CCCSCCCCCCC 62a_100000210614_100000688953 [1,1,0,0,0,0|1,0,1]=4 8688 B11R0.3 C#CCCSCCCCCCC 62a_100000688953_100000210316 [1,1,0,0,0,0|1,0,1]=4 8689 B11R0.3 C#CCNCCCCCCCC 2230a_100000229939_100000038162 [1,1,0,0,0,0|1,0,1]=4 8690 B11R0.3 C#CCNCCCCCCCC 34a_100000212058_100000210759 [1,1,0,0,0,0|1,0,1]=4 8691 B11R0.3 C#CCNCCCCCCCC 34a_100000229939_100000184674 [1,1,0,0,0,0|1,0,1]=4 8692 B11R0.3 C#CCOCCCCCCCC 34a_100000210232_100000184674 [1,1,0,0,0,0|1,0,1]=4 8693 B11R0.3 C#CCOCCCCCCCC 34a_100000210247_100000210759 [1,1,0,0,0,0|1,0,1]=4 8694 B11R0.3 C#CCOCCCCCCCC 7a_100000210232_100000038162 [1,1,0,0,0,0|1,0,1]=4 8695 B11R0.3 C#CCSCCCCCCCC 62a_100000038162_100000210317 [1,1,0,0,0,0|1,0,1]=4 8696 B11R0.3 C/C=C/CCOCCCCCC 34a_100016278192_100000210314 [1,1,0,0,0,0|1,0,1]=4 8697 B11R0.3 C/C=C/COCCCCCCC 34a_100000210272_100102629194 [1,1,0,0,0,0|1,0,1]=4 8698 B11R0.3 C/C=C/COCCCCCCC 34a_100016270725_100000210614 [1,1,0,0,0,0|1,0,1]=4 8699 B11R0.3 C/C=C/COCCCCCCC 7a_100000210272_100102629194 [1,1,0,0,0,0|1,0,1]=4 8700 B11R0.3 C/C=C/CSCCCCCC=O 62a_100000139337_100102629194 [1,1,0,0,0,0|0,0,2]=4 8701 B11R0.3 C/C=C/CSCCCCCC=O 62a_100102629194_100000139337 [1,1,0,0,0,0|0,0,2]=4 8702 B11R0.3 C/C=C/CSCCCCCCC 62a_100000210614_100102629194 [1,1,0,0,0,0|1,0,1]=4 8703 B11R0.3 C/C=C/CSCCCCCCC 62a_100102629194_100000210316 [1,1,0,0,0,0|1,0,1]=4 8704 B11R0.3 C=CCCCCCCCCNC 2230a_106832991635_100011933949 [1,1,0,0,0,0|1,0,0]=3 8705 B11R0.3 C=CCCCCCCCCNC 34a_100102657272_100011933949 [1,1,0,0,0,0|1,0,0]=3 8706 B11R0.3 C=CCCCCCCCCNC 7a_106832991635_100011933949 [1,1,0,0,0,0|1,0,0]=3 8707 B11R0.3 C=CCCCCCCCCOC 34a_100011215194_200000210301 [1,1,0,0,0,0|1,0,0]=3 8708 B11R0.3 C=CCCCCCCCCOC 34a_100138415774_100011933949 [1,1,0,0,0,0|1,0,0]=3 8709 B11R0.3 C=CCCCCCCCCOC 7a_100011215194_200000210301 [1,1,0,0,0,0|1,0,0]=3 8710 B11R0.3 C=CCCCCCCCCO[13CH3] 34a_100011215194_200025704644 [1,1,0,0,0,0|1,0,0]=3 8711 B11R0.3 C=CCCCCCCCCO[13CH3] 7a_100011215194_200025704644 [1,1,0,0,0,0|1,0,0]=3 8712 B11R0.3 C=CCCCCCCCCSC 62a_100011933949_200000210301 [1,1,0,0,0,0|1,0,0]=3 8713 B11R0.3 C=CCCCCCCCCSC 62a_200000210301_100011933949 [1,1,0,0,0,0|1,0,0]=3 8714 B11R0.3 C=CCCCCCCCCS[13CH3] 62a_100011933949_200025704644 [1,1,0,0,0,0|1,0,0]=3 8715 B11R0.3 C=CCCCCCCCCS[13CH3] 62a_200025704644_100011933949 [1,1,0,0,0,0|1,0,0]=3 8716 B11R0.3 C=CCCCCCCCNCC 2230a_100015525214_100012355270 [1,1,0,0,0,0|1,0,0]=3 8717 B11R0.3 C=CCCCCCCCOCC 34a_100000730831_100000210202 [1,1,0,0,0,0|1,0,0]=3 8718 B11R0.3 C=CCCCCCCCOCC 34a_100121572206_100012355270 [1,1,0,0,0,0|1,0,0]=3 8719 B11R0.3 C=CCCCCCCCOCC 7a_100000730831_100000210202 [1,1,0,0,0,0|1,0,0]=3 8720 B11R0.3 C=CCCCCCCCOCF 34a_100000730831_100015361967 [1,1,0,0,0,0|2,0,0]=4 8721 B11R0.3 C=CCCCCCCCOCF 7a_100000730831_100015361967 [1,1,0,0,0,0|2,0,0]=4 8722 B11R0.3 C=CCCCCCCCSCC 62a_100000210202_100012355270 [1,1,0,0,0,0|1,0,0]=3 8723 B11R0.3 C=CCCCCCCCSCC 62a_100012355270_100000210202 [1,1,0,0,0,0|1,0,0]=3 8724 B11R0.3 C=CCCCCCCCSCF 62a_100012355270_100015361967 [1,1,0,0,0,0|2,0,0]=4 8725 B11R0.3 C=CCCCCCCCSCF 62a_100015361967_100012355270 [1,1,0,0,0,0|2,0,0]=4 8726 B11R0.3 C=CCCCCCCNCCF 34a_100000724931_100011215473 [1,1,0,0,0,0|2,0,0]=4 8727 B11R0.3 C=CCCCCCCNCCO 2230a_100016997473_100011215473 [1,1,0,0,0,0|2,0,0]=4 8728 B11R0.3 C=CCCCCCCNCCO 34a_100016990907_100011215473 [1,1,0,0,0,0|2,0,0]=4 8729 B11R0.3 C=CCCCCCCOCC=O 34a_200011216477_200009817547 [1,1,0,0,0,0|0,0,2]=4 8730 B11R0.3 C=CCCCCCCOCC=O 7a_200011216477_200015260668 [1,1,0,0,0,0|0,0,2]=4 8731 B11R0.3 C=CCCCCCCOCCBr 34a_100000211926_100011215473 [1,1,0,0,0,0|2,0,0]=4 8732 B11R0.3 C=CCCCCCCOCCC 34a_100000210258_100011215473 [1,1,0,0,0,0|1,0,0]=3 8733 B11R0.3 C=CCCCCCCOCCC 34a_200011216477_100000210303 [1,1,0,0,0,0|1,0,0]=3 8734 B11R0.3 C=CCCCCCCOCCC 7a_200011216477_100000210303 [1,1,0,0,0,0|1,0,0]=3 8735 B11R0.3 C=CCCCCCCOCCF 34a_200011216477_100011217306 [1,1,0,0,0,0|2,0,0]=4 8736 B11R0.3 C=CCCCCCCOCCF 7a_200011216477_100011217306 [1,1,0,0,0,0|2,0,0]=4 8737 B11R0.3 C=CCCCCCCOCCN 34a_100000210304_100011215473 [1,1,0,0,0,0|2,0,0]=4 8738 B11R0.3 C=CCCCCCCOCCO 34a_200011216477_100000211926 [1,1,0,0,0,0|2,0,0]=4 8739 B11R0.3 C=CCCCCCCOCCO 7a_200011216477_100000211926 [1,1,0,0,0,0|2,0,0]=4 8740 B11R0.3 C=CCCCCCCOCSC 34a_200011216477_100011218213 [1,1,0,0,0,0|2,0,0]=4 8741 B11R0.3 C=CCCCCCCSCC=O 62a_100011215473_200015260668 [1,1,0,0,0,0|0,0,2]=4 8742 B11R0.3 C=CCCCCCCSCC=O 62a_200015260668_100011215473 [1,1,0,0,0,0|0,0,2]=4 8743 B11R0.3 C=CCCCCCCSCCC 62a_100000210303_100011215473 [1,1,0,0,0,0|1,0,0]=3 8744 B11R0.3 C=CCCCCCCSCCC 62a_100011215473_100000210303 [1,1,0,0,0,0|1,0,0]=3 8745 B11R0.3 C=CCCCCCCSCCF 62a_100011215473_100011217306 [1,1,0,0,0,0|2,0,0]=4 8746 B11R0.3 C=CCCCCCCSCCF 62a_100011217306_100011215473 [1,1,0,0,0,0|2,0,0]=4 8747 B11R0.3 C=CCCCCCCSCCO 62a_100000211926_100011215473 [1,1,0,0,0,0|2,0,0]=4 8748 B11R0.3 C=CCCCCCCSCCO 62a_100011215473_100000211926 [1,1,0,0,0,0|2,0,0]=4 8749 B11R0.3 C=CCCCCCCSCOC 62a_100000766300_100011215473 [1,1,0,0,0,0|2,0,0]=4 8750 B11R0.3 C=CCCCCCCSCOC 62a_100011215473_100000766300 [1,1,0,0,0,0|2,0,0]=4 8751 B11R0.3 C=CCCCCCCSCSC 62a_100011215473_100011218213 [1,1,0,0,0,0|2,0,0]=4 8752 B11R0.3 C=CCCCCCCSCSC 62a_100011218213_100011215473 [1,1,0,0,0,0|2,0,0]=4 8753 B11R0.3 C=CCCCCCNCCCC 2230a_100000102301_100000700193 [1,1,0,0,0,0|1,0,0]=3 8754 B11R0.3 C=CCCCCCNCCCC 7a_106832991798_100000700193 [1,1,0,0,0,0|1,0,0]=3 8755 B11R0.3 C=CCCCCCNCCCF 2230a_100015189416_100000700193 [1,1,0,0,0,0|2,0,0]=4 8756 B11R0.3 C=CCCCCCNCCCF 34a_100015189416_100000700193 [1,1,0,0,0,0|2,0,0]=4 8757 B11R0.3 C=CCCCCCNCCOC 2230a_100000209980_100000700193 [1,1,0,0,0,0|2,0,0]=4 8758 B11R0.3 C=CCCCCCNCCSC 2230a_100020590264_100000700193 [1,1,0,0,0,0|2,0,0]=4 8759 B11R0.3 C=CCCCCCOCCCBr 34a_100011217188_100000700193 [1,1,0,0,0,0|2,0,0]=4 8760 B11R0.3 C=CCCCCCOCCCC 34a_100000210227_100000700193 [1,1,0,0,0,0|1,0,0]=3 8761 B11R0.3 C=CCCCCCOCCCC 34a_100011216702_100000210210 [1,1,0,0,0,0|1,0,0]=3 8762 B11R0.3 C=CCCCCCOCCCC 7a_100000210227_100000700193 [1,1,0,0,0,0|1,0,0]=3 8763 B11R0.3 C=CCCCCCOCCCC 7a_100011216702_100000210211 [1,1,0,0,0,0|1,0,0]=3 8764 B11R0.3 C=CCCCCCOCCCCl 34a_100000230001_100000700193 [1,1,0,0,0,0|2,0,0]=4 8765 B11R0.3 C=CCCCCCOCCCF 34a_100000759539_100000700193 [1,1,0,0,0,0|2,0,0]=4 8766 B11R0.3 C=CCCCCCOCCCF 34a_100011216702_100011934791 [1,1,0,0,0,0|2,0,0]=4 8767 B11R0.3 C=CCCCCCOCCCF 7a_100011216702_100011934791 [1,1,0,0,0,0|2,0,0]=4 8768 B11R0.3 C=CCCCCCOCCCN 34a_100000182051_100000700193 [1,1,0,0,0,0|2,0,0]=4 8769 B11R0.3 C=CCCCCCOCCCO 34a_100011216702_100000230001 [1,1,0,0,0,0|2,0,0]=4 8770 B11R0.3 C=CCCCCCOCCCO 7a_100011216702_100011215043 [1,1,0,0,0,0|2,0,0]=4 8771 B11R0.3 C=CCCCCCOCCOC 34a_100000210237_100000700193 [1,1,0,0,0,0|2,0,0]=4 8772 B11R0.3 C=CCCCCCOCCOC 34a_100011216702_100011201679 [1,1,0,0,0,0|2,0,0]=4 8773 B11R0.3 C=CCCCCCOCCOC 7a_100011216702_100000233755 [1,1,0,0,0,0|2,0,0]=4 8774 B11R0.3 C=CCCCCCOCCSC 34a_100000230434_100000700193 [1,1,0,0,0,0|2,0,0]=4 8775 B11R0.3 C=CCCCCCOCCSC 34a_100011216702_100000212216 [1,1,0,0,0,0|2,0,0]=4 8776 B11R0.3 C=CCCCCCOCCSC 7a_100000230434_100000700193 [1,1,0,0,0,0|2,0,0]=4 8777 B11R0.3 C=CCCCCCOCCSC 7a_100011216702_100000212216 [1,1,0,0,0,0|2,0,0]=4 8778 B11R0.3 C=CCCCCCSCCCC 62a_100000210211_100000700193 [1,1,0,0,0,0|1,0,0]=3 8779 B11R0.3 C=CCCCCCSCCCC 62a_100000700193_100000210210 [1,1,0,0,0,0|1,0,0]=3 8780 B11R0.3 C=CCCCCCSCCCF 62a_100000700193_100011934791 [1,1,0,0,0,0|2,0,0]=4 8781 B11R0.3 C=CCCCCCSCCCF 62a_100011934791_100000700193 [1,1,0,0,0,0|2,0,0]=4 8782 B11R0.3 C=CCCCCCSCCCO 62a_100000700193_100011215043 [1,1,0,0,0,0|2,0,0]=4 8783 B11R0.3 C=CCCCCCSCCCO 62a_100011215043_100000700193 [1,1,0,0,0,0|2,0,0]=4 8784 B11R0.3 C=CCCCCCSCCOC 62a_100000233755_100000700193 [1,1,0,0,0,0|2,0,0]=4 8785 B11R0.3 C=CCCCCCSCCOC 62a_100000700193_100000233755 [1,1,0,0,0,0|2,0,0]=4 8786 B11R0.3 C=CCCCCCSCCSC 62a_100000212216_100000700193 [1,1,0,0,0,0|2,0,0]=4 8787 B11R0.3 C=CCCCCCSCCSC 62a_100000700193_100000751147 [1,1,0,0,0,0|2,0,0]=4 8788 B11R0.3 C=CCCCCCSCOCC 62a_100000700193_100000739092 [1,1,0,0,0,0|2,0,0]=4 8789 B11R0.3 C=CCCCCCSCOCC 62a_100000739092_100000700193 [1,1,0,0,0,0|2,0,0]=4 8790 B11R0.3 C=CCCCCNCCCC=O 2230a_100000703577_200011292268 [1,1,0,0,0,0|0,0,2]=4 8791 B11R0.3 C=CCCCCNCCCCC 2230a_100000209983_100011215482 [1,1,0,0,0,0|1,0,0]=3 8792 B11R0.3 C=CCCCCNCCCCC 2230a_100000703577_100000210326 [1,1,0,0,0,0|1,0,0]=3 8793 B11R0.3 C=CCCCCNCCCCC 34a_100000703577_100000718602 [1,1,0,0,0,0|1,0,0]=3 8794 B11R0.3 C=CCCCCNCCCCF 2230a_100000703577_100000729493 [1,1,0,0,0,0|2,0,0]=4 8795 B11R0.3 C=CCCCCNCCCCF 34a_100000703577_100000729493 [1,1,0,0,0,0|2,0,0]=4 8796 B11R0.3 C=CCCCCNCCCCO 2230a_100000703577_100000210776 [1,1,0,0,0,0|2,0,0]=4 8797 B11R0.3 C=CCCCCNCCCCO 2230a_100000750430_100011215482 [1,1,0,0,0,0|2,0,0]=4 8798 B11R0.3 C=CCCCCNCCCCO 34a_100000703577_100011216708 [1,1,0,0,0,0|2,0,0]=4 8799 B11R0.3 C=CCCCCNCCCCO 34a_100000750430_100011215482 [1,1,0,0,0,0|2,0,0]=4 8800 B11R0.3 C=CCCCCNCCCOC 2230a_100000703577_100000740836 [1,1,0,0,0,0|2,0,0]=4 8801 B11R0.3 C=CCCCCNCCCOC 34a_100000703577_100000740836 [1,1,0,0,0,0|2,0,0]=4 8802 B11R0.3 C=CCCCCNCCCOC 34a_100150723488_100011215482 [1,1,0,0,0,0|2,0,0]=4 8803 B11R0.3 C=CCCCCNCCCSC 2230a_100000749238_100011215482 [1,1,0,0,0,0|2,0,0]=4 8804 B11R0.3 C=CCCCCNCCOCC 2230a_100000703577_100011215890 [1,1,0,0,0,0|2,0,0]=4 8805 B11R0.3 C=CCCCCNCCOCC 2230a_102516460346_100011215482 [1,1,0,0,0,0|2,0,0]=4 8806 B11R0.3 C=CCCCCNCCOCC 34a_100000703577_100000210147 [1,1,0,0,0,0|2,0,0]=4 8807 B11R0.3 C=CCCCCNCCOCC 34a_102516460346_100011215482 [1,1,0,0,0,0|2,0,0]=4 8808 B11R0.3 C=CCCCCNCCSCC 2230a_100000106463_100011215482 [1,1,0,0,0,0|2,0,0]=4 8809 B11R0.3 C=CCCCCNCCSCC 2230a_100000703577_100000757381 [1,1,0,0,0,0|2,0,0]=4 8810 B11R0.3 C=CCCCCNCCSCC 34a_100000703577_100000757381 [1,1,0,0,0,0|2,0,0]=4 8811 B11R0.3 C=CCCCCOCCCC=O 7a_100000766645_200011292268 [1,1,0,0,0,0|0,0,2]=4 8812 B11R0.3 C=CCCCCOCCCCBr 34a_100011216708_100011215482 [1,1,0,0,0,0|2,0,0]=4 8813 B11R0.3 C=CCCCCOCCCCC 34a_100000210253_100011215482 [1,1,0,0,0,0|1,0,0]=3 8814 B11R0.3 C=CCCCCOCCCCC 34a_100000766645_100000718602 [1,1,0,0,0,0|1,0,0]=3 8815 B11R0.3 C=CCCCCOCCCCC 7a_100000210253_100011215482 [1,1,0,0,0,0|1,0,0]=3 8816 B11R0.3 C=CCCCCOCCCCC 7a_100000766645_100000210326 [1,1,0,0,0,0|1,0,0]=3 8817 B11R0.3 C=CCCCCOCCCCCl 34a_100000210776_100011215482 [1,1,0,0,0,0|2,0,0]=4 8818 B11R0.3 C=CCCCCOCCCCCl 7a_100000210776_100011215482 [1,1,0,0,0,0|2,0,0]=4 8819 B11R0.3 C=CCCCCOCCCCF 34a_100000766645_100000729493 [1,1,0,0,0,0|2,0,0]=4 8820 B11R0.3 C=CCCCCOCCCCF 34a_100011995726_100011215482 [1,1,0,0,0,0|2,0,0]=4 8821 B11R0.3 C=CCCCCOCCCCF 7a_100000766645_100000729493 [1,1,0,0,0,0|2,0,0]=4 8822 B11R0.3 C=CCCCCOCCCCF 7a_100011995726_100011215482 [1,1,0,0,0,0|2,0,0]=4 8823 B11R0.3 C=CCCCCOCCCCI 34a_200012148704_100011215482 [1,1,0,0,0,0|2,0,0]=4 8824 B11R0.3 C=CCCCCOCCCCN 34a_100000750430_100011215482 [1,1,0,0,0,0|2,0,0]=4 8825 B11R0.3 C=CCCCCOCCCCO 34a_100000766645_100011216708 [1,1,0,0,0,0|2,0,0]=4 8826 B11R0.3 C=CCCCCOCCCCO 7a_100000766645_100000210776 [1,1,0,0,0,0|2,0,0]=4 8827 B11R0.3 C=CCCCCOCCCNC 34a_100000213112_100011215482 [1,1,0,0,0,0|2,0,0]=4 8828 B11R0.3 C=CCCCCOCCCOC 34a_100000740835_100011215482 [1,1,0,0,0,0|2,0,0]=4 8829 B11R0.3 C=CCCCCOCCCOC 34a_100000766645_100000740836 [1,1,0,0,0,0|2,0,0]=4 8830 B11R0.3 C=CCCCCOCCCOC 7a_100000766645_100000740836 [1,1,0,0,0,0|2,0,0]=4 8831 B11R0.3 C=CCCCCOCCCSC 34a_100000690336_100011215482 [1,1,0,0,0,0|2,0,0]=4 8832 B11R0.3 C=CCCCCOCCCSC 7a_100000690336_100011215482 [1,1,0,0,0,0|2,0,0]=4 8833 B11R0.3 C=CCCCCOCCOCC 34a_100000210136_100011215482 [1,1,0,0,0,0|2,0,0]=4 8834 B11R0.3 C=CCCCCOCCOCC 34a_100000766645_100000210147 [1,1,0,0,0,0|2,0,0]=4 8835 B11R0.3 C=CCCCCOCCOCC 7a_100000210136_100011215482 [1,1,0,0,0,0|2,0,0]=4 8836 B11R0.3 C=CCCCCOCCOCC 7a_100000766645_100011215890 [1,1,0,0,0,0|2,0,0]=4 8837 B11R0.3 C=CCCCCOCCSCC 34a_100000212035_100011215482 [1,1,0,0,0,0|2,0,0]=4 8838 B11R0.3 C=CCCCCOCCSCC 34a_100000766645_100000757381 [1,1,0,0,0,0|2,0,0]=4 8839 B11R0.3 C=CCCCCOCCSCC 7a_100000212035_100011215482 [1,1,0,0,0,0|2,0,0]=4 8840 B11R0.3 C=CCCCCOCCSCC 7a_100000766645_100000757381 [1,1,0,0,0,0|2,0,0]=4 8841 B11R0.3 C=CCCCCSCCCC=O 62a_100011215482_200011292268 [1,1,0,0,0,0|0,0,2]=4 8842 B11R0.3 C=CCCCCSCCCC=O 62a_200011292268_100011215482 [1,1,0,0,0,0|0,0,2]=4 8843 B11R0.3 C=CCCCCSCCCCC 62a_100000210326_100011215482 [1,1,0,0,0,0|1,0,0]=3 8844 B11R0.3 C=CCCCCSCCCCC 62a_100011215482_100000210326 [1,1,0,0,0,0|1,0,0]=3 8845 B11R0.3 C=CCCCCSCCCCF 62a_100000729493_100011215482 [1,1,0,0,0,0|2,0,0]=4 8846 B11R0.3 C=CCCCCSCCCCF 62a_100011215482_100000729493 [1,1,0,0,0,0|2,0,0]=4 8847 B11R0.3 C=CCCCCSCCCCO 62a_100000210776_100011215482 [1,1,0,0,0,0|2,0,0]=4 8848 B11R0.3 C=CCCCCSCCCCO 62a_100011215482_100000210776 [1,1,0,0,0,0|2,0,0]=4 8849 B11R0.3 C=CCCCCSCCCOC 62a_100000709357_100011215482 [1,1,0,0,0,0|2,0,0]=4 8850 B11R0.3 C=CCCCCSCCCOC 62a_100011215482_100000709357 [1,1,0,0,0,0|2,0,0]=4 8851 B11R0.3 C=CCCCCSCCOCC 62a_100000210147_100011215482 [1,1,0,0,0,0|2,0,0]=4 8852 B11R0.3 C=CCCCCSCCOCC 62a_100011215482_100011215890 [1,1,0,0,0,0|2,0,0]=4 8853 B11R0.3 C=CCCCCSCCSCC 62a_100000757381_100011215482 [1,1,0,0,0,0|2,0,0]=4 8854 B11R0.3 C=CCCCCSCCSCC 62a_100011215482_100000757381 [1,1,0,0,0,0|2,0,0]=4 8855 B11R0.3 C=CCCCNCCCCC=O 2230a_100000700776_100000139335 [1,1,0,0,0,0|0,0,2]=4 8856 B11R0.3 C=CCCCNCCCCCC 2230a_100000210581_100011713584 [1,1,0,0,0,0|1,0,0]=3 8857 B11R0.3 C=CCCCNCCCCCC 2230a_100000700776_100000210314 [1,1,0,0,0,0|1,0,0]=3 8858 B11R0.3 C=CCCCNCCCCCC 34a_100000700776_100000210314 [1,1,0,0,0,0|1,0,0]=3 8859 B11R0.3 C=CCCCNCCCCCF 2230a_100000700776_100000729378 [1,1,0,0,0,0|2,0,0]=4 8860 B11R0.3 C=CCCCNCCCCCF 34a_100000700776_100000729378 [1,1,0,0,0,0|2,0,0]=4 8861 B11R0.3 C=CCCCNCCCCCO 2230a_100000700776_100000746330 [1,1,0,0,0,0|2,0,0]=4 8862 B11R0.3 C=CCCCNCCCCCO 2230a_100000762737_100011713584 [1,1,0,0,0,0|2,0,0]=4 8863 B11R0.3 C=CCCCNCCCCCO 34a_100000700776_100000746330 [1,1,0,0,0,0|2,0,0]=4 8864 B11R0.3 C=CCCCNCCCCCO 34a_100000762737_100000757094 [1,1,0,0,0,0|2,0,0]=4 8865 B11R0.3 C=CCCCNCCCCOC 2230a_100000700776_100000730899 [1,1,0,0,0,0|2,0,0]=4 8866 B11R0.3 C=CCCCNCCCCOC 34a_100000700776_100000755781 [1,1,0,0,0,0|2,0,0]=4 8867 B11R0.3 C=CCCCNCCCOCC 2230a_100000210961_100011713584 [1,1,0,0,0,0|2,0,0]=4 8868 B11R0.3 C=CCCCNCCCOCC 2230a_100000700776_100012232248 [1,1,0,0,0,0|2,0,0]=4 8869 B11R0.3 C=CCCCNCCCOCC 34a_100000210961_100000757094 [1,1,0,0,0,0|2,0,0]=4 8870 B11R0.3 C=CCCCNCCCOCC 34a_100000700776_100012232248 [1,1,0,0,0,0|2,0,0]=4 8871 B11R0.3 C=CCCCNCCOCCC 2230a_100000700776_100011215938 [1,1,0,0,0,0|2,0,0]=4 8872 B11R0.3 C=CCCCNCCOCCC 2230a_100161115042_100011713584 [1,1,0,0,0,0|2,0,0]=4 8873 B11R0.3 C=CCCCNCCOCCC 34a_100000700776_100011215938 [1,1,0,0,0,0|2,0,0]=4 8874 B11R0.3 C=CCCCNCCOCCC 34a_100161115042_100000757094 [1,1,0,0,0,0|2,0,0]=4 8875 B11R0.3 C=CCCCNCCSCCC 2230a_100020603323_100011713584 [1,1,0,0,0,0|2,0,0]=4 8876 B11R0.3 C=CCCCNCOCCCC 2230a_100000700776_100011995733 [1,1,0,0,0,0|2,0,0]=4 8877 B11R0.3 C=CCCCNCOCCCC 34a_100000700776_100011995733 [1,1,0,0,0,0|2,0,0]=4 8878 B11R0.3 C=CCCCOCCCCC=O 7a_100000758997_100000139335 [1,1,0,0,0,0|0,0,2]=4 8879 B11R0.3 C=CCCCOCCCCCBr 34a_100000746331_100000757094 [1,1,0,0,0,0|2,0,0]=4 8880 B11R0.3 C=CCCCOCCCCCBr 7a_100000746331_100000757094 [1,1,0,0,0,0|2,0,0]=4 8881 B11R0.3 C=CCCCOCCCCCC 34a_100000210259_100000757094 [1,1,0,0,0,0|1,0,0]=3 8882 B11R0.3 C=CCCCOCCCCCC 34a_100000758997_100000210314 [1,1,0,0,0,0|1,0,0]=3 8883 B11R0.3 C=CCCCOCCCCCC 7a_100000210259_100000757094 [1,1,0,0,0,0|1,0,0]=3 8884 B11R0.3 C=CCCCOCCCCCC 7a_100000758997_100000210314 [1,1,0,0,0,0|1,0,0]=3 8885 B11R0.3 C=CCCCOCCCCCCl 34a_100000746330_100000757094 [1,1,0,0,0,0|2,0,0]=4 8886 B11R0.3 C=CCCCOCCCCCCl 7a_100000746330_100000757094 [1,1,0,0,0,0|2,0,0]=4 8887 B11R0.3 C=CCCCOCCCCCF 34a_100000758997_100000729378 [1,1,0,0,0,0|2,0,0]=4 8888 B11R0.3 C=CCCCOCCCCCF 7a_100000758997_100000729378 [1,1,0,0,0,0|2,0,0]=4 8889 B11R0.3 C=CCCCOCCCCCI 34a_200012148887_100000757094 [1,1,0,0,0,0|2,0,0]=4 8890 B11R0.3 C=CCCCOCCCCCI 7a_200012148887_100000757094 [1,1,0,0,0,0|2,0,0]=4 8891 B11R0.3 C=CCCCOCCCCCN 34a_100000762737_100000757094 [1,1,0,0,0,0|2,0,0]=4 8892 B11R0.3 C=CCCCOCCCCCO 34a_100000758997_100000746330 [1,1,0,0,0,0|2,0,0]=4 8893 B11R0.3 C=CCCCOCCCCCO 7a_100000758997_100000746330 [1,1,0,0,0,0|2,0,0]=4 8894 B11R0.3 C=CCCCOCCCCOC 34a_100000740925_100000757094 [1,1,0,0,0,0|2,0,0]=4 8895 B11R0.3 C=CCCCOCCCCOC 34a_100000758997_100000755781 [1,1,0,0,0,0|2,0,0]=4 8896 B11R0.3 C=CCCCOCCCCOC 7a_100000758997_100000730899 [1,1,0,0,0,0|2,0,0]=4 8897 B11R0.3 C=CCCCOCCCCSC 34a_100011217163_100000757094 [1,1,0,0,0,0|2,0,0]=4 8898 B11R0.3 C=CCCCOCCCCSC 7a_100011217163_100000757094 [1,1,0,0,0,0|2,0,0]=4 8899 B11R0.3 C=CCCCOCCCOCC 34a_100000757476_100000757094 [1,1,0,0,0,0|2,0,0]=4 8900 B11R0.3 C=CCCCOCCCOCC 34a_100000758997_100012232248 [1,1,0,0,0,0|2,0,0]=4 8901 B11R0.3 C=CCCCOCCCOCC 7a_100000757476_100000757094 [1,1,0,0,0,0|2,0,0]=4 8902 B11R0.3 C=CCCCOCCCOCC 7a_100000758997_100012232248 [1,1,0,0,0,0|2,0,0]=4 8903 B11R0.3 C=CCCCOCCCSCC 34a_100011216438_100000757094 [1,1,0,0,0,0|2,0,0]=4 8904 B11R0.3 C=CCCCOCCCSCC 7a_100011216438_100000757094 [1,1,0,0,0,0|2,0,0]=4 8905 B11R0.3 C=CCCCOCCOCCC 34a_100000752267_100000757094 [1,1,0,0,0,0|2,0,0]=4 8906 B11R0.3 C=CCCCOCCOCCC 34a_100000758997_100011215938 [1,1,0,0,0,0|2,0,0]=4 8907 B11R0.3 C=CCCCOCCOCCC 7a_100000752267_100000757094 [1,1,0,0,0,0|2,0,0]=4 8908 B11R0.3 C=CCCCOCCOCCC 7a_100000758997_100011215938 [1,1,0,0,0,0|2,0,0]=4 8909 B11R0.3 C=CCCCOCCSCCC 34a_200000230433_100000757094 [1,1,0,0,0,0|2,0,0]=4 8910 B11R0.3 C=CCCCOCCSCCC 7a_200000230433_100000757094 [1,1,0,0,0,0|2,0,0]=4 8911 B11R0.3 C=CCCCOCOCCCC 34a_100000758997_100011995733 [1,1,0,0,0,0|2,0,0]=4 8912 B11R0.3 C=CCCCSCCCCC=O 62a_100000139335_100000757094 [1,1,0,0,0,0|0,0,2]=4 8913 B11R0.3 C=CCCCSCCCCC=O 62a_100011713584_100000139335 [1,1,0,0,0,0|0,0,2]=4 8914 B11R0.3 C=CCCCSCCCCCC 62a_100000210314_100000757094 [1,1,0,0,0,0|1,0,0]=3 8915 B11R0.3 C=CCCCSCCCCCC 62a_100011713584_100000210757 [1,1,0,0,0,0|1,0,0]=3 8916 B11R0.3 C=CCCCSCCCCCF 62a_100000729378_100000757094 [1,1,0,0,0,0|2,0,0]=4 8917 B11R0.3 C=CCCCSCCCCCF 62a_100011713584_100000729378 [1,1,0,0,0,0|2,0,0]=4 8918 B11R0.3 C=CCCCSCCCCCO 62a_100000746330_100000757094 [1,1,0,0,0,0|2,0,0]=4 8919 B11R0.3 C=CCCCSCCCCCO 62a_100011713584_100000746330 [1,1,0,0,0,0|2,0,0]=4 8920 B11R0.3 C=CCCCSCCCCOC 62a_100000730899_100000757094 [1,1,0,0,0,0|2,0,0]=4 8921 B11R0.3 C=CCCCSCCCCOC 62a_100011713584_100000730899 [1,1,0,0,0,0|2,0,0]=4 8922 B11R0.3 C=CCCCSCCCOCC 62a_100011713584_100012232248 [1,1,0,0,0,0|2,0,0]=4 8923 B11R0.3 C=CCCCSCCCOCC 62a_100012232248_100000757094 [1,1,0,0,0,0|2,0,0]=4 8924 B11R0.3 C=CCCCSCCOCCC 62a_100011215938_100000757094 [1,1,0,0,0,0|2,0,0]=4 8925 B11R0.3 C=CCCCSCCOCCC 62a_100011713584_100011215938 [1,1,0,0,0,0|2,0,0]=4 8926 B11R0.3 C=CCCCSCOCCCC 62a_100011713584_100011995733 [1,1,0,0,0,0|2,0,0]=4 8927 B11R0.3 C=CCCCSCOCCCC 62a_100011995733_100000757094 [1,1,0,0,0,0|2,0,0]=4 8928 B11R0.3 C=CCCNCCCCCC=O 2230a_100015191253_100000139337 [1,1,0,0,0,0|0,0,2]=4 8929 B11R0.3 C=CCCNCCCCCCC 2230a_100000229938_100000754431 [1,1,0,0,0,0|1,0,0]=3 8930 B11R0.3 C=CCCNCCCCCCC 2230a_100015191253_100000210681 [1,1,0,0,0,0|1,0,0]=3 8931 B11R0.3 C=CCCNCCCCCCF 2230a_100015191253_100015922095 [1,1,0,0,0,0|2,0,0]=4 8932 B11R0.3 C=CCCNCCCCCCO 2230a_100000686447_100000754431 [1,1,0,0,0,0|2,0,0]=4 8933 B11R0.3 C=CCCNCCCCCCO 2230a_100015191253_100000766143 [1,1,0,0,0,0|2,0,0]=4 8934 B11R0.3 C=CCCNCCCCCCO 34a_100000686447_100000754431 [1,1,0,0,0,0|2,0,0]=4 8935 B11R0.3 C=CCCNCCCCCOC 2230a_100000747528_100000754431 [1,1,0,0,0,0|2,0,0]=4 8936 B11R0.3 C=CCCNCCCCCOC 34a_100000747528_100000754431 [1,1,0,0,0,0|2,0,0]=4 8937 B11R0.3 C=CCCNCCCOCCC 2230a_100011217757_100000754431 [1,1,0,0,0,0|2,0,0]=4 8938 B11R0.3 C=CCCNCCCOCCC 34a_100011217757_100000754431 [1,1,0,0,0,0|2,0,0]=4 8939 B11R0.3 C=CCCNCCOCCCC 2230a_100015191253_100000743108 [1,1,0,0,0,0|2,0,0]=4 8940 B11R0.3 C=CCCNCCSCCCC 2230a_100025743550_100000754431 [1,1,0,0,0,0|2,0,0]=4 8941 B11R0.3 C=CCCOCCCCCCBr 34a_100011215345_100000754431 [1,1,0,0,0,0|2,0,0]=4 8942 B11R0.3 C=CCCOCCCCCCBr 7a_100011215345_100000754431 [1,1,0,0,0,0|2,0,0]=4 8943 B11R0.3 C=CCCOCCCCCCC 34a_100000210272_100000754431 [1,1,0,0,0,0|1,0,0]=3 8944 B11R0.3 C=CCCOCCCCCCC 34a_100011205117_100000210614 [1,1,0,0,0,0|1,0,0]=3 8945 B11R0.3 C=CCCOCCCCCCC 7a_100000210272_100000754431 [1,1,0,0,0,0|1,0,0]=3 8946 B11R0.3 C=CCCOCCCCCCCl 34a_100000766143_100000754431 [1,1,0,0,0,0|2,0,0]=4 8947 B11R0.3 C=CCCOCCCCCCCl 7a_100000766143_100000754431 [1,1,0,0,0,0|2,0,0]=4 8948 B11R0.3 C=CCCOCCCCCCF 34a_100000732779_100000754431 [1,1,0,0,0,0|2,0,0]=4 8949 B11R0.3 C=CCCOCCCCCCF 34a_100011205117_100015922095 [1,1,0,0,0,0|2,0,0]=4 8950 B11R0.3 C=CCCOCCCCCCF 7a_100000732779_100000754431 [1,1,0,0,0,0|2,0,0]=4 8951 B11R0.3 C=CCCOCCCCCCN 34a_100000686447_100000754431 [1,1,0,0,0,0|2,0,0]=4 8952 B11R0.3 C=CCCOCCCCCCO 34a_100011205117_100000766143 [1,1,0,0,0,0|2,0,0]=4 8953 B11R0.3 C=CCCOCCCCCNC 34a_100000722520_100000754431 [1,1,0,0,0,0|2,0,0]=4 8954 B11R0.3 C=CCCOCCOCCCC 34a_100000210238_100000754431 [1,1,0,0,0,0|2,0,0]=4 8955 B11R0.3 C=CCCOCCOCCCC 34a_100011205117_100000743108 [1,1,0,0,0,0|2,0,0]=4 8956 B11R0.3 C=CCCOCCOCCCC 7a_100000210238_100000754431 [1,1,0,0,0,0|2,0,0]=4 8957 B11R0.3 C=CCCOCCSCCCC 34a_200000230436_100000754431 [1,1,0,0,0,0|2,0,0]=4 8958 B11R0.3 C=CCCOCCSCCCC 7a_200000230436_100000754431 [1,1,0,0,0,0|2,0,0]=4 8959 B11R0.3 C=CCCSCCCCCC=O 62a_100000139337_100000754431 [1,1,0,0,0,0|0,0,2]=4 8960 B11R0.3 C=CCCSCCCCCC=O 62a_100000754431_100000139337 [1,1,0,0,0,0|0,0,2]=4 8961 B11R0.3 C=CCCSCCCCCCC 62a_100000210614_100000754431 [1,1,0,0,0,0|1,0,0]=3 8962 B11R0.3 C=CCCSCCCCCCC 62a_100000754431_100000210316 [1,1,0,0,0,0|1,0,0]=3 8963 B11R0.3 C=CCCSCCCCCCF 62a_100000754431_100015922095 [1,1,0,0,0,0|2,0,0]=4 8964 B11R0.3 C=CCCSCCCCCCF 62a_100015922095_100000754431 [1,1,0,0,0,0|2,0,0]=4 8965 B11R0.3 C=CCCSCCCCCCO 62a_100000754431_100000766143 [1,1,0,0,0,0|2,0,0]=4 8966 B11R0.3 C=CCCSCCCCCCO 62a_100000766143_100000754431 [1,1,0,0,0,0|2,0,0]=4 8967 B11R0.3 C=CCCSCCOCCCC 62a_100000743108_100000754431 [1,1,0,0,0,0|2,0,0]=4 8968 B11R0.3 C=CCCSCCOCCCC 62a_100000754431_100000743108 [1,1,0,0,0,0|2,0,0]=4 8969 B11R0.3 C=CCNCCCCCCCC 2230a_100000229939_100000210623 [1,1,0,0,0,0|1,0,0]=3 8970 B11R0.3 C=CCNCCCCCCCC 2230a_100020586998_100000210759 [1,1,0,0,0,0|1,0,0]=3 8971 B11R0.3 C=CCNCCCCCCCC 34a_100000229939_100015514636 [1,1,0,0,0,0|1,0,0]=3 8972 B11R0.3 C=CCNCCCCCCCO 2230a_100011996573_100000210623 [1,1,0,0,0,0|2,0,0]=4 8973 B11R0.3 C=CCNCCCCCCCO 2230a_100020586998_100000760002 [1,1,0,0,0,0|2,0,0]=4 8974 B11R0.3 C=CCNCCCCCCCO 34a_100011996573_100015514636 [1,1,0,0,0,0|2,0,0]=4 8975 B11R0.3 C=CCNCCCCCCOC 2230a_100020586998_100011998445 [1,1,0,0,0,0|2,0,0]=4 8976 B11R0.3 C=CCNCCCOCCCC 2230a_200000211371_100000210623 [1,1,0,0,0,0|2,0,0]=4 8977 B11R0.3 C=CCNCCCOCCCC 34a_200000211371_100015514636 [1,1,0,0,0,0|2,0,0]=4 8978 B11R0.3 C=CCOCCCCCCCBr 34a_100000760002_100015514636 [1,1,0,0,0,0|2,0,0]=4 8979 B11R0.3 C=CCOCCCCCCCBr 7a_100000760002_100015514636 [1,1,0,0,0,0|2,0,0]=4 8980 B11R0.3 C=CCOCCCCCCCC 34a_100000210232_100015514636 [1,1,0,0,0,0|1,0,0]=3 8981 B11R0.3 C=CCOCCCCCCCC 34a_200000210373_100000210759 [1,1,0,0,0,0|1,0,0]=3 8982 B11R0.3 C=CCOCCCCCCCC 7a_100000210232_100015514636 [1,1,0,0,0,0|1,0,0]=3 8983 B11R0.3 C=CCOCCCCCCCN 34a_100011996573_100015514636 [1,1,0,0,0,0|2,0,0]=4 8984 B11R0.3 C=CCOCCCCCCCO 34a_200000210373_100000760002 [1,1,0,0,0,0|2,0,0]=4 8985 B11R0.3 C=CCOCCCCCCOC 34a_200000210373_100011998445 [1,1,0,0,0,0|2,0,0]=4 8986 B11R0.3 C=CCOCCCCCCOC 34a_200012092642_100015514636 [1,1,0,0,0,0|2,0,0]=4 8987 B11R0.3 C=CCOCCCCCCOC 7a_200012092642_100015514636 [1,1,0,0,0,0|2,0,0]=4 8988 B11R0.3 C=CCOCCCOCCCC 34a_200011215613_100015514636 [1,1,0,0,0,0|2,0,0]=4 8989 B11R0.3 C=CCOCCCOCCCC 7a_200011215613_100015514636 [1,1,0,0,0,0|2,0,0]=4 8990 B11R0.3 C=CCOCCNCCCCC 34a_100000224656_100015514636 [1,1,0,0,0,0|2,0,0]=4 8991 B11R0.3 C=CCOCCOCCCCC 34a_100000037705_100000718602 [1,1,0,0,0,0|2,0,0]=4 8992 B11R0.3 C=CCOCCOCCCCC 34a_100011215259_100015514636 [1,1,0,0,0,0|2,0,0]=4 8993 B11R0.3 C=CCOCCOCCCCC 7a_100000037705_100000210326 [1,1,0,0,0,0|2,0,0]=4 8994 B11R0.3 C=CCOCCOCCCCC 7a_100011215259_100015514636 [1,1,0,0,0,0|2,0,0]=4 8995 B11R0.3 C=CCSCCCCCCCC 62a_100000210623_100000210317 [1,1,0,0,0,0|1,0,0]=3 8996 B11R0.3 C=CCSCCCCCCCC 62a_100000210759_100000210623 [1,1,0,0,0,0|1,0,0]=3 8997 B11R0.3 C=CCSCCCCCCCO 62a_100000210623_100000760002 [1,1,0,0,0,0|2,0,0]=4 8998 B11R0.3 C=CCSCCCCCCCO 62a_100000760002_100000210623 [1,1,0,0,0,0|2,0,0]=4 8999 B11R0.3 C=CCSCCCCCCOC 62a_100000210623_100011998445 [1,1,0,0,0,0|2,0,0]=4 9000 B11R0.3 C=CCSCCCCCCOC 62a_100011998445_100000210623 [1,1,0,0,0,0|2,0,0]=4 9001 B11R0.3 C=COCCCCOCCCC 34a_100000031558_100000210210 [1,1,0,0,0,0|2,0,0]=4 9002 B11R0.3 C=COCCCCOCCCC 7a_100000031558_100000210211 [1,1,0,0,0,0|2,0,0]=4 9003 B11R0.3 C=COCCCNCCCCC 2230a_100000210767_100000210326 [1,1,0,0,0,0|2,0,0]=4 9004 B11R0.3 C=COCCCNCCCCC 34a_100000210767_100000718602 [1,1,0,0,0,0|2,0,0]=4 9005 B11R0.3 C=COCCNCCCCCC 2230a_100000210581_100000039644 [1,1,0,0,0,0|2,0,0]=4 9006 B11R0.3 C=COCCOCCCCCC 34a_100000033082_100000210314 [1,1,0,0,0,0|2,0,0]=4 9007 B11R0.3 C=COCCOCCCCCC 34a_100000210259_100000039644 [1,1,0,0,0,0|2,0,0]=4 9008 B11R0.3 C=COCCOCCCCCC 7a_100000210259_100000039644 [1,1,0,0,0,0|2,0,0]=4 9009 B11R0.3 C=COCCSCCCCCC 62a_100000039644_100000210757 [1,1,0,0,0,0|2,0,0]=4 9010 B11R0.3 C=COCCSCCCCCC 62a_100000210314_100000039644 [1,1,0,0,0,0|2,0,0]=4 9011 B11R0.3 CC#CCNCCCCCC=O 2230a_100000685387_100000139337 [1,1,0,0,0,0|0,0,2]=4 9012 B11R0.3 CC#CCSCCCCCC=O 62a_100000139337_100000748600 [1,1,0,0,0,0|0,0,2]=4 9013 B11R0.3 CC#CCSCCCCCC=O 62a_100000748600_100000139337 [1,1,0,0,0,0|0,0,2]=4 9014 B11R0.3 CC/C=C\CCCCOCC=O 34a_100016287862_200009817547 [1,1,0,0,0,0|0,0,2]=4 9015 B11R0.3 CC/C=C\CCCCOCC=O 7a_100016287862_200015260668 [1,1,0,0,0,0|0,0,2]=4 9016 B11R0.3 CC/C=C\CCOCCCC=O 7a_100016288707_200011292268 [1,1,0,0,0,0|0,0,2]=4 9017 B11R0.3 CC/C=C\CCSCCCC=O 62a_100015370543_200011292268 [1,1,0,0,0,0|0,0,2]=4 9018 B11R0.3 CC/C=C\CCSCCCC=O 62a_200011292268_100015370543 [1,1,0,0,0,0|0,0,2]=4 9019 B11R0.3 CC/C=C\CSCCCCC=O 62a_100000139335_100103147603 [1,1,0,0,0,0|0,0,2]=4 9020 B11R0.3 CC/C=C\CSCCCCC=O 62a_100103147603_100000139335 [1,1,0,0,0,0|0,0,2]=4 9021 B11R0.3 CC=CCCCOCCCCC 34a_100020645299_100000718602 [1,1,0,0,0,0|1,0,1]=4 9022 B11R0.3 CC=CCNCCCCCCC 2230a_100000229938_100000070051 [1,1,0,0,0,0|1,0,1]=4 9023 B11R0.3 CC=CCOCCCCCCC 34a_100000210272_100000070051 [1,1,0,0,0,0|1,0,1]=4 9024 B11R0.3 CC=CCOCCCCCCC 7a_100000210272_100000070051 [1,1,0,0,0,0|1,0,1]=4 9025 B11R0.3 CC=CCSCCCCCC=O 62a_100000070051_100000139337 [1,1,0,0,0,0|0,0,2]=4 9026 B11R0.3 CC=CCSCCCCCC=O 62a_100000139337_100000070051 [1,1,0,0,0,0|0,0,2]=4 9027 B11R0.3 CC=CCSCCCCCCC 62a_100000070051_100000210316 [1,1,0,0,0,0|1,0,1]=4 9028 B11R0.3 CC=CCSCCCCCCC 62a_100000210614_100000070051 [1,1,0,0,0,0|1,0,1]=4 9029 B11R0.3 CCC#CCCOCCCC=O 7a_100000036655_200011292268 [1,1,0,0,0,0|0,0,2]=4 9030 B11R0.3 CCC#CCSCCCCC=O 62a_100000139335_100009813939 [1,1,0,0,0,0|0,0,2]=4 9031 B11R0.3 CCC#CCSCCCCC=O 62a_100009813939_100000139335 [1,1,0,0,0,0|0,0,2]=4 9032 B11R0.3 CCC/C=C/COCCCC=O 7a_100016278788_200011292268 [1,1,0,0,0,0|0,0,2]=4 9033 B11R0.3 CCCC#CCOCCCC=O 7a_100000034806_200011292268 [1,1,0,0,0,0|0,0,2]=4 9034 B11R0.3 CCCC/C=C\CCOCC=O 34a_200016286491_200009817547 [1,1,0,0,0,0|0,0,2]=4 9035 B11R0.3 CCCC/C=C\CCOCC=O 7a_200016286491_200015260668 [1,1,0,0,0,0|0,0,2]=4 9036 B11R0.3 CCCCC#CCCOCC=O 34a_100000037610_200009817547 [1,1,0,0,0,0|0,0,2]=4 9037 B11R0.3 CCCCC#CCCOCC=O 7a_100000037610_200015260668 [1,1,0,0,0,0|0,0,2]=4 9038 B11R0.3 CCCCC/C=C/COCC=O 34a_100016258190_200009817547 [1,1,0,0,0,0|0,0,2]=4 9039 B11R0.3 CCCCC/C=C/COCC=O 7a_100016258190_200015260668 [1,1,0,0,0,0|0,0,2]=4 9040 B11R0.3 CCCCCC#CCOCC=O 34a_200000033628_200009817547 [1,1,0,0,0,0|0,0,2]=4 9041 B11R0.3 CCCCCC#CCOCC=O 7a_200000033628_200015260668 [1,1,0,0,0,0|0,0,2]=4 9042 B11R0.3 CCCCCC#CCSCC=O 62a_100009816472_200015260668 [1,1,0,0,0,0|0,0,2]=4 9043 B11R0.3 CCCCCC#CCSCC=O 62a_200015260668_100009816472 [1,1,0,0,0,0|0,0,2]=4 9044 B11R0.3 CCCCCCCCCCNC 2230a_100000684558_200000210301 [1,1,0,0,0,0|1,0,1]=4 9045 B11R0.3 CCCCCCCCCCNC 2230a_106832991635_100000210320 [1,1,0,0,0,0|1,0,1]=4 9046 B11R0.3 CCCCCCCCCCNC 34a_100000684558_200000210301 [1,1,0,0,0,0|1,0,1]=4 9047 B11R0.3 CCCCCCCCCCNC 34a_100102657272_100000210320 [1,1,0,0,0,0|1,0,1]=4 9048 B11R0.3 CCCCCCCCCCNC 7a_106832991635_100000210320 [1,1,0,0,0,0|1,0,1]=4 9049 B11R0.3 CCCCCCCCCCN[13CH3] 2230a_100000684558_200025704644 [1,1,0,0,0,0|1,0,1]=4 9050 B11R0.3 CCCCCCCCCCN[13CH3] 34a_100000684558_200025704644 [1,1,0,0,0,0|1,0,1]=4 9051 B11R0.3 CCCCCCCCCCOC 34a_100000210711_200000210301 [1,1,0,0,0,0|0,0,1]=3 9052 B11R0.3 CCCCCCCCCCOC 34a_100138415774_100000210320 [1,1,0,0,0,0|0,0,1]=3 9053 B11R0.3 CCCCCCCCCCOC 7a_100000210711_200000210301 [1,1,0,0,0,0|0,0,1]=3 9054 B11R0.3 CCCCCCCCCCO[13CH3] 34a_100000210711_200025704644 [1,1,0,0,0,0|0,0,1]=3 9055 B11R0.3 CCCCCCCCCCO[13CH3] 7a_100000210711_200025704644 [1,1,0,0,0,0|0,0,1]=3 9056 B11R0.3 CCCCCCCCCCSC 62a_200000210301_100000210320 [1,1,0,0,0,0|0,1,1]=4 9057 B11R0.3 CCCCCCCCCCS[13CH3] 62a_200025704644_100000210320 [1,1,0,0,0,0|0,1,1]=4 9058 B11R0.3 CCCCCCCCCNCC 2230a_100000212291_100000210202 [1,1,0,0,0,0|1,0,1]=4 9059 B11R0.3 CCCCCCCCCNCC 2230a_100015525214_100011214924 [1,1,0,0,0,0|1,0,1]=4 9060 B11R0.3 CCCCCCCCCNCC 34a_100000212291_100000210202 [1,1,0,0,0,0|1,0,1]=4 9061 B11R0.3 CCCCCCCCCNCF 34a_100000212291_100015361967 [1,1,0,0,0,0|1,0,1]=4 9062 B11R0.3 CCCCCCCCCOCC 34a_100000210712_100000210202 [1,1,0,0,0,0|1,0,1]=4 9063 B11R0.3 CCCCCCCCCOCC 34a_100121572206_100011214924 [1,1,0,0,0,0|1,0,1]=4 9064 B11R0.3 CCCCCCCCCOCC 7a_100000210712_100000210202 [1,1,0,0,0,0|1,0,1]=4 9065 B11R0.3 CCCCCCCCCOCF 34a_100000210712_100015361967 [1,1,0,0,0,0|1,0,1]=4 9066 B11R0.3 CCCCCCCCCOCF 7a_100000210712_100015361967 [1,1,0,0,0,0|1,0,1]=4 9067 B11R0.3 CCCCCCCCCSCC 62a_100000210202_100000210670 [1,1,0,0,0,0|1,0,1]=4 9068 B11R0.3 CCCCCCCCCSCF 62a_100015361967_100000210670 [1,1,0,0,0,0|1,0,1]=4 9069 B11R0.3 CCCCCCCCNCC#N 2230a_100000229939_100011215382 [1,1,0,0,0,0|1,0,1]=4 9070 B11R0.3 CCCCCCCCNCC=O 2230a_100000229939_200015260668 [1,1,0,0,0,0|0,0,0]=2 9071 B11R0.3 CCCCCCCCNCC=O 34a_100000229939_200009817547 [1,1,0,0,0,0|0,0,0]=2 9072 B11R0.3 CCCCCCCCNCCC 2230a_100000229939_100000210303 [1,1,0,0,0,0|1,0,1]=4 9073 B11R0.3 CCCCCCCCNCCC 34a_100000229939_100000210303 [1,1,0,0,0,0|1,0,1]=4 9074 B11R0.3 CCCCCCCCNCCF 2230a_100000229939_100011217306 [1,1,0,0,0,0|1,0,1]=4 9075 B11R0.3 CCCCCCCCNCCF 34a_100000229939_100011217306 [1,1,0,0,0,0|1,0,1]=4 9076 B11R0.3 CCCCCCCCNCCF 34a_100000724931_100000210759 [1,1,0,0,0,0|1,0,1]=4 9077 B11R0.3 CCCCCCCCNCCO 2230a_100000229939_100000211926 [1,1,0,0,0,0|0,0,1]=3 9078 B11R0.3 CCCCCCCCNCCO 2230a_100016997473_100000210759 [1,1,0,0,0,0|0,0,1]=3 9079 B11R0.3 CCCCCCCCNCCO 34a_100000229939_100000211926 [1,1,0,0,0,0|0,0,1]=3 9080 B11R0.3 CCCCCCCCNCCO 34a_100016990907_100000210759 [1,1,0,0,0,0|0,0,1]=3 9081 B11R0.3 CCCCCCCCNCOC 2230a_100000229939_100000766300 [1,1,0,0,0,0|1,0,1]=4 9082 B11R0.3 CCCCCCCCNCSC 2230a_100000229939_100011218213 [1,1,0,0,0,0|2,0,0]=4 9083 B11R0.3 CCCCCCCCNCSC 34a_100000229939_100011218213 [1,1,0,0,0,0|2,0,0]=4 9084 B11R0.3 CCCCCCCCOCC#N 7a_100000210232_100011215382 [1,1,0,0,0,0|1,0,1]=4 9085 B11R0.3 CCCCCCCCOCC=O 34a_100000210232_200009817547 [1,1,0,0,0,0|0,0,0]=2 9086 B11R0.3 CCCCCCCCOCC=O 7a_100000210232_200015260668 [1,1,0,0,0,0|0,0,0]=2 9087 B11R0.3 CCCCCCCCOCCBr 34a_100000211926_100000210759 [1,1,0,0,0,0|1,0,1]=4 9088 B11R0.3 CCCCCCCCOCCC 34a_100000210232_100000210303 [1,1,0,0,0,0|1,0,1]=4 9089 B11R0.3 CCCCCCCCOCCC 34a_100000210258_100000210759 [1,1,0,0,0,0|1,0,1]=4 9090 B11R0.3 CCCCCCCCOCCC 7a_100000210232_100000210303 [1,1,0,0,0,0|1,0,1]=4 9091 B11R0.3 CCCCCCCCOCCF 34a_100000210232_100011217306 [1,1,0,0,0,0|1,0,1]=4 9092 B11R0.3 CCCCCCCCOCCF 7a_100000210232_100011217306 [1,1,0,0,0,0|1,0,1]=4 9093 B11R0.3 CCCCCCCCOCCN 34a_100000210304_100000210759 [1,1,0,0,0,0|1,0,1]=4 9094 B11R0.3 CCCCCCCCOCCO 34a_100000210232_100000211926 [1,1,0,0,0,0|0,0,1]=3 9095 B11R0.3 CCCCCCCCOCCO 7a_100000210232_100000211926 [1,1,0,0,0,0|0,0,1]=3 9096 B11R0.3 CCCCCCCCOCSC 34a_100000210232_100011218213 [1,1,0,0,0,0|2,0,0]=4 9097 B11R0.3 CCCCCCCCSCC#N 62a_100000210759_100011215382 [1,1,0,0,0,0|1,0,1]=4 9098 B11R0.3 CCCCCCCCSCC#N 62a_100011215382_100000210317 [1,1,0,0,0,0|1,0,1]=4 9099 B11R0.3 CCCCCCCCSCC=O 62a_100000210759_200015260668 [1,1,0,0,0,0|0,0,0]=2 9100 B11R0.3 CCCCCCCCSCC=O 62a_200015260668_100000210317 [1,1,0,0,0,0|0,0,0]=2 9101 B11R0.3 CCCCCCCCSCCC 62a_100000210303_100000210317 [1,1,0,0,0,0|1,0,1]=4 9102 B11R0.3 CCCCCCCCSCCC 62a_100000210759_100000210303 [1,1,0,0,0,0|1,0,1]=4 9103 B11R0.3 CCCCCCCCSCCF 62a_100000210759_100011217306 [1,1,0,0,0,0|1,0,1]=4 9104 B11R0.3 CCCCCCCCSCCF 62a_100011217306_100000210317 [1,1,0,0,0,0|1,0,1]=4 9105 B11R0.3 CCCCCCCCSCCO 62a_100000210759_100000211926 [1,1,0,0,0,0|0,0,1]=3 9106 B11R0.3 CCCCCCCCSCCO 62a_100000211926_100000210317 [1,1,0,0,0,0|0,0,1]=3 9107 B11R0.3 CCCCCCCCSCOC 62a_100000210759_100000766300 [1,1,0,0,0,0|1,0,1]=4 9108 B11R0.3 CCCCCCCCSCOC 62a_100000766300_100000210317 [1,1,0,0,0,0|1,0,1]=4 9109 B11R0.3 CCCCCCCCSCSC 62a_100000210759_100011218213 [1,1,0,0,0,0|2,0,0]=4 9110 B11R0.3 CCCCCCCCSCSC 62a_100011218213_100000210317 [1,1,0,0,0,0|2,0,0]=4 9111 B11R0.3 CCCCCCCNCCC#N 2230a_100000229938_100011215226 [1,1,0,0,0,0|1,0,1]=4 9112 B11R0.3 CCCCCCCNCCCC 2230a_100000102301_100000210681 [1,1,0,0,0,0|1,0,1]=4 9113 B11R0.3 CCCCCCCNCCCC 2230a_100000229938_100000210211 [1,1,0,0,0,0|1,0,1]=4 9114 B11R0.3 CCCCCCCNCCCC 7a_106832991798_100000210614 [1,1,0,0,0,0|1,0,1]=4 9115 B11R0.3 CCCCCCCNCCCF 2230a_100000229938_100011934791 [1,1,0,0,0,0|1,0,1]=4 9116 B11R0.3 CCCCCCCNCCCF 2230a_100015189416_100000210681 [1,1,0,0,0,0|1,0,1]=4 9117 B11R0.3 CCCCCCCNCCCF 34a_100015189416_100000210614 [1,1,0,0,0,0|1,0,1]=4 9118 B11R0.3 CCCCCCCNCCCO 2230a_100000229938_100000230001 [1,1,0,0,0,0|0,0,1]=3 9119 B11R0.3 CCCCCCCNCCOC 2230a_100000209980_100000210681 [1,1,0,0,0,0|1,0,1]=4 9120 B11R0.3 CCCCCCCNCCOC 2230a_100000229938_100011201679 [1,1,0,0,0,0|1,0,1]=4 9121 B11R0.3 CCCCCCCNCCSC 2230a_100000229938_100000751147 [1,1,0,0,0,0|2,0,0]=4 9122 B11R0.3 CCCCCCCNCCSC 2230a_100020590264_100000210681 [1,1,0,0,0,0|2,0,0]=4 9123 B11R0.3 CCCCCCCOCCC#N 7a_100000210272_100000184422 [1,1,0,0,0,0|1,0,1]=4 9124 B11R0.3 CCCCCCCOCCCBr 34a_100011217188_100000210614 [1,1,0,0,0,0|1,0,1]=4 9125 B11R0.3 CCCCCCCOCCCC 34a_100000210227_100000210614 [1,1,0,0,0,0|1,0,1]=4 9126 B11R0.3 CCCCCCCOCCCC 34a_100000210272_100000210210 [1,1,0,0,0,0|1,0,1]=4 9127 B11R0.3 CCCCCCCOCCCC 7a_100000210227_100000210614 [1,1,0,0,0,0|1,0,1]=4 9128 B11R0.3 CCCCCCCOCCCC 7a_100000210272_100000210211 [1,1,0,0,0,0|1,0,1]=4 9129 B11R0.3 CCCCCCCOCCCCl 34a_100000230001_100000210614 [1,1,0,0,0,0|1,0,1]=4 9130 B11R0.3 CCCCCCCOCCCF 34a_100000210272_100011934791 [1,1,0,0,0,0|1,0,1]=4 9131 B11R0.3 CCCCCCCOCCCF 34a_100000759539_100000210614 [1,1,0,0,0,0|1,0,1]=4 9132 B11R0.3 CCCCCCCOCCCF 7a_100000210272_100011934791 [1,1,0,0,0,0|1,0,1]=4 9133 B11R0.3 CCCCCCCOCCCN 34a_100000182051_100000210614 [1,1,0,0,0,0|1,0,1]=4 9134 B11R0.3 CCCCCCCOCCCO 34a_100000210272_100000230001 [1,1,0,0,0,0|0,0,1]=3 9135 B11R0.3 CCCCCCCOCCCO 7a_100000210272_100011215043 [1,1,0,0,0,0|0,0,1]=3 9136 B11R0.3 CCCCCCCOCCOC 34a_100000210237_100000210614 [1,1,0,0,0,0|1,0,1]=4 9137 B11R0.3 CCCCCCCOCCOC 34a_100000210272_100011201679 [1,1,0,0,0,0|1,0,1]=4 9138 B11R0.3 CCCCCCCOCCOC 7a_100000210272_100000233755 [1,1,0,0,0,0|1,0,1]=4 9139 B11R0.3 CCCCCCCOCCON 34a_100000700252_100000210614 [1,1,0,0,0,0|1,0,1]=4 9140 B11R0.3 CCCCCCCOCCSC 34a_100000210272_100000212216 [1,1,0,0,0,0|2,0,0]=4 9141 B11R0.3 CCCCCCCOCCSC 34a_100000230434_100000210614 [1,1,0,0,0,0|2,0,0]=4 9142 B11R0.3 CCCCCCCOCCSC 7a_100000210272_100000212216 [1,1,0,0,0,0|2,0,0]=4 9143 B11R0.3 CCCCCCCOCCSC 7a_100000230434_100000210614 [1,1,0,0,0,0|2,0,0]=4 9144 B11R0.3 CCCCCCCSCCC#N 62a_100000210614_100011215226 [1,1,0,0,0,0|1,0,1]=4 9145 B11R0.3 CCCCCCCSCCC#N 62a_100011215226_100000210316 [1,1,0,0,0,0|1,0,1]=4 9146 B11R0.3 CCCCCCCSCCCC 62a_100000210211_100000210316 [1,1,0,0,0,0|1,0,1]=4 9147 B11R0.3 CCCCCCCSCCCC 62a_100000210614_100000210210 [1,1,0,0,0,0|1,0,1]=4 9148 B11R0.3 CCCCCCCSCCCF 62a_100000210614_100011934791 [1,1,0,0,0,0|1,0,1]=4 9149 B11R0.3 CCCCCCCSCCCF 62a_100011934791_100000210316 [1,1,0,0,0,0|1,0,1]=4 9150 B11R0.3 CCCCCCCSCCCO 62a_100000210614_100011215043 [1,1,0,0,0,0|0,0,1]=3 9151 B11R0.3 CCCCCCCSCCCO 62a_100011215043_100000210316 [1,1,0,0,0,0|0,0,1]=3 9152 B11R0.3 CCCCCCCSCCOC 62a_100000210614_100000233755 [1,1,0,0,0,0|1,0,1]=4 9153 B11R0.3 CCCCCCCSCCOC 62a_100000233755_100000210316 [1,1,0,0,0,0|1,0,1]=4 9154 B11R0.3 CCCCCCCSCCSC 62a_100000210614_100000751147 [1,1,0,0,0,0|2,0,0]=4 9155 B11R0.3 CCCCCCCSCCSC 62a_100000212216_100000210316 [1,1,0,0,0,0|2,0,0]=4 9156 B11R0.3 CCCCCCNCCCC#N 2230a_100000210581_100000687738 [1,1,0,0,0,0|1,0,1]=4 9157 B11R0.3 CCCCCCNCCCC=O 2230a_100000210581_200011292268 [1,1,0,0,0,0|0,0,0]=2 9158 B11R0.3 CCCCCCNCCCCC 2230a_100000209983_100000210314 [1,1,0,0,0,0|1,0,1]=4 9159 B11R0.3 CCCCCCNCCCCC 2230a_100000210581_100000210326 [1,1,0,0,0,0|1,0,1]=4 9160 B11R0.3 CCCCCCNCCCCF 2230a_100000210581_100000729493 [1,1,0,0,0,0|1,0,1]=4 9161 B11R0.3 CCCCCCNCCCCO 2230a_100000210581_100000210776 [1,1,0,0,0,0|0,0,1]=3 9162 B11R0.3 CCCCCCNCCCCO 2230a_100000750430_100000210314 [1,1,0,0,0,0|0,0,1]=3 9163 B11R0.3 CCCCCCNCCCCO 34a_100000750430_100000210314 [1,1,0,0,0,0|0,0,1]=3 9164 B11R0.3 CCCCCCNCCCOC 2230a_100000210581_100000740836 [1,1,0,0,0,0|1,0,1]=4 9165 B11R0.3 CCCCCCNCCCOC 34a_100150723488_100000210314 [1,1,0,0,0,0|1,0,1]=4 9166 B11R0.3 CCCCCCNCCCSC 2230a_100000749238_100000210314 [1,1,0,0,0,0|2,0,0]=4 9167 B11R0.3 CCCCCCOCCCC#N 7a_100000210259_100000687738 [1,1,0,0,0,0|1,0,1]=4 9168 B11R0.3 CCCCCCOCCCC=O 7a_100000210259_200011292268 [1,1,0,0,0,0|0,0,0]=2 9169 B11R0.3 CCCCCCOCCCCBr 34a_100011216708_100000210314 [1,1,0,0,0,0|1,0,1]=4 9170 B11R0.3 CCCCCCOCCCCC 34a_100000210253_100000210314 [1,1,0,0,0,0|1,0,1]=4 9171 B11R0.3 CCCCCCOCCCCC 34a_100000210259_100000718602 [1,1,0,0,0,0|1,0,1]=4 9172 B11R0.3 CCCCCCOCCCCC 7a_100000210253_100000210314 [1,1,0,0,0,0|1,0,1]=4 9173 B11R0.3 CCCCCCOCCCCC 7a_100000210259_100000210326 [1,1,0,0,0,0|1,0,1]=4 9174 B11R0.3 CCCCCCOCCCCCl 34a_100000210776_100000210314 [1,1,0,0,0,0|1,0,1]=4 9175 B11R0.3 CCCCCCOCCCCCl 7a_100000210776_100000210314 [1,1,0,0,0,0|1,0,1]=4 9176 B11R0.3 CCCCCCOCCCCF 34a_100000210259_100000729493 [1,1,0,0,0,0|1,0,1]=4 9177 B11R0.3 CCCCCCOCCCCF 34a_100011995726_100000210314 [1,1,0,0,0,0|1,0,1]=4 9178 B11R0.3 CCCCCCOCCCCF 7a_100000210259_100000729493 [1,1,0,0,0,0|1,0,1]=4 9179 B11R0.3 CCCCCCOCCCCF 7a_100011995726_100000210314 [1,1,0,0,0,0|1,0,1]=4 9180 B11R0.3 CCCCCCOCCCCI 34a_200012148704_100000210314 [1,1,0,0,0,0|1,0,1]=4 9181 B11R0.3 CCCCCCOCCCCN 34a_100000750430_100000210314 [1,1,0,0,0,0|1,0,1]=4 9182 B11R0.3 CCCCCCOCCCCO 34a_100000210259_100011216708 [1,1,0,0,0,0|0,0,1]=3 9183 B11R0.3 CCCCCCOCCCCO 7a_100000210259_100000210776 [1,1,0,0,0,0|0,0,1]=3 9184 B11R0.3 CCCCCCOCCCNC 34a_100000213112_100000210314 [1,1,0,0,0,0|2,0,0]=4 9185 B11R0.3 CCCCCCOCCCOC 34a_100000210259_100000740836 [1,1,0,0,0,0|1,0,1]=4 9186 B11R0.3 CCCCCCOCCCOC 34a_100000740835_100000210314 [1,1,0,0,0,0|1,0,1]=4 9187 B11R0.3 CCCCCCOCCCOC 7a_100000210259_100000740836 [1,1,0,0,0,0|1,0,1]=4 9188 B11R0.3 CCCCCCOCCCSC 34a_100000690336_100000210314 [1,1,0,0,0,0|2,0,0]=4 9189 B11R0.3 CCCCCCOCCCSC 7a_100000690336_100000210314 [1,1,0,0,0,0|2,0,0]=4 9190 B11R0.3 CCCCCCSCCCC#N 62a_100000210314_100000687738 [1,1,0,0,0,0|1,0,1]=4 9191 B11R0.3 CCCCCCSCCCC#N 62a_100000687738_100000210757 [1,1,0,0,0,0|1,0,1]=4 9192 B11R0.3 CCCCCCSCCCC=O 62a_100000210314_200011292268 [1,1,0,0,0,0|0,0,0]=2 9193 B11R0.3 CCCCCCSCCCC=O 62a_200011292268_100000210757 [1,1,0,0,0,0|0,0,0]=2 9194 B11R0.3 CCCCCCSCCCCC 62a_100000210314_100000210326 [1,1,0,0,0,0|1,0,1]=4 9195 B11R0.3 CCCCCCSCCCCC 62a_100000210326_100000210757 [1,1,0,0,0,0|1,0,1]=4 9196 B11R0.3 CCCCCCSCCCCF 62a_100000210314_100000729493 [1,1,0,0,0,0|1,0,1]=4 9197 B11R0.3 CCCCCCSCCCCF 62a_100000729493_100000210757 [1,1,0,0,0,0|1,0,1]=4 9198 B11R0.3 CCCCCCSCCCCO 62a_100000210314_100000210776 [1,1,0,0,0,0|0,0,1]=3 9199 B11R0.3 CCCCCCSCCCCO 62a_100000210776_100000210757 [1,1,0,0,0,0|0,0,1]=3 9200 B11R0.3 CCCCCCSCCCOC 62a_100000210314_100000709357 [1,1,0,0,0,0|1,0,1]=4 9201 B11R0.3 CCCCCCSCCCOC 62a_100000709357_100000210757 [1,1,0,0,0,0|1,0,1]=4 9202 B11R0.3 CCCCCNCCCCC#N 2230a_100000209983_100000211819 [1,1,0,0,0,0|1,0,1]=4 9203 B11R0.3 CCCCCNCCCCC=O 2230a_100000209983_100000139335 [1,1,0,0,0,0|0,0,0]=2 9204 B11R0.3 CCCCCNCCCCCF 2230a_100000209983_100000729378 [1,1,0,0,0,0|1,0,1]=4 9205 B11R0.3 CCCCCNCCCCCO 2230a_100000209983_100000746330 [1,1,0,0,0,0|0,0,1]=3 9206 B11R0.3 CCCCCNCCCCCO 2230a_100000762737_100000210326 [1,1,0,0,0,0|0,0,1]=3 9207 B11R0.3 CCCCCNCCCCCO 34a_100000762737_100000718602 [1,1,0,0,0,0|0,0,1]=3 9208 B11R0.3 CCCCCNCCCCOC 2230a_100000209983_100000730899 [1,1,0,0,0,0|1,0,1]=4 9209 B11R0.3 CCCCCNCCOCC=O 34a_100000224656_200009817547 [1,1,0,0,0,0|1,0,0]=3 9210 B11R0.3 CCCCCNCCOCCO 2230a_100000209983_100011215305 [1,1,0,0,0,0|1,0,1]=4 9211 B11R0.3 CCCCCNCCOCCO 2230a_100000211614_100000210326 [1,1,0,0,0,0|1,0,1]=4 9212 B11R0.3 CCCCCNCCOCCO 34a_100000211614_100000718602 [1,1,0,0,0,0|1,0,1]=4 9213 B11R0.3 CCCCCNCCOCCO 34a_100000224656_100000211926 [1,1,0,0,0,0|1,0,1]=4 9214 B11R0.3 CCCCCNCCSCCO 2230a_100011219999_100000210326 [1,1,0,0,0,0|1,0,1]=4 9215 B11R0.3 CCCCCOCCCCC#N 7a_100000210253_100000211819 [1,1,0,0,0,0|1,0,1]=4 9216 B11R0.3 CCCCCOCCCCC=O 7a_100000210253_100000139335 [1,1,0,0,0,0|0,0,0]=2 9217 B11R0.3 CCCCCOCCCCCBr 34a_100000746331_100000718602 [1,1,0,0,0,0|1,0,1]=4 9218 B11R0.3 CCCCCOCCCCCBr 7a_100000746331_100000210326 [1,1,0,0,0,0|1,0,1]=4 9219 B11R0.3 CCCCCOCCCCCCl 34a_100000746330_100000718602 [1,1,0,0,0,0|1,0,1]=4 9220 B11R0.3 CCCCCOCCCCCCl 7a_100000746330_100000210326 [1,1,0,0,0,0|1,0,1]=4 9221 B11R0.3 CCCCCOCCCCCF 34a_100000210253_100000729378 [1,1,0,0,0,0|1,0,1]=4 9222 B11R0.3 CCCCCOCCCCCF 7a_100000210253_100000729378 [1,1,0,0,0,0|1,0,1]=4 9223 B11R0.3 CCCCCOCCCCCI 34a_200012148887_100000718602 [1,1,0,0,0,0|1,0,1]=4 9224 B11R0.3 CCCCCOCCCCCI 7a_200012148887_100000210326 [1,1,0,0,0,0|1,0,1]=4 9225 B11R0.3 CCCCCOCCCCCN 34a_100000762737_100000718602 [1,1,0,0,0,0|1,0,1]=4 9226 B11R0.3 CCCCCOCCCCCO 34a_100000210253_100000746330 [1,1,0,0,0,0|0,0,1]=3 9227 B11R0.3 CCCCCOCCCCCO 7a_100000210253_100000746330 [1,1,0,0,0,0|0,0,1]=3 9228 B11R0.3 CCCCCOCCCCOC 34a_100000210253_100000755781 [1,1,0,0,0,0|1,0,1]=4 9229 B11R0.3 CCCCCOCCCCOC 34a_100000740925_100000718602 [1,1,0,0,0,0|1,0,1]=4 9230 B11R0.3 CCCCCOCCCCOC 7a_100000210253_100000730899 [1,1,0,0,0,0|1,0,1]=4 9231 B11R0.3 CCCCCOCCCCSC 34a_100011217163_100000718602 [1,1,0,0,0,0|2,0,0]=4 9232 B11R0.3 CCCCCOCCCCSC 7a_100011217163_100000210326 [1,1,0,0,0,0|2,0,0]=4 9233 B11R0.3 CCCCCOCCOCC=O 34a_100011215259_200009817547 [1,1,0,0,0,0|1,0,0]=3 9234 B11R0.3 CCCCCOCCOCC=O 7a_100011215259_200015260668 [1,1,0,0,0,0|1,0,0]=3 9235 B11R0.3 CCCCCOCCOCCO 34a_100000210253_100000692535 [1,1,0,0,0,0|1,0,1]=4 9236 B11R0.3 CCCCCOCCOCCO 34a_100011215259_100000211926 [1,1,0,0,0,0|1,0,1]=4 9237 B11R0.3 CCCCCOCCOCCO 7a_100000210253_100011215305 [1,1,0,0,0,0|1,0,1]=4 9238 B11R0.3 CCCCCOCCOCCO 7a_100011215259_100000211926 [1,1,0,0,0,0|1,0,1]=4 9239 B11R0.3 CCCCCSCCCCC#N 62a_100000210326_100000211819 [1,1,0,0,0,0|1,0,1]=4 9240 B11R0.3 CCCCCSCCCCC#N 62a_100011219923_100000210326 [1,1,0,0,0,0|1,0,1]=4 9241 B11R0.3 CCCCCSCCCCC=O 62a_100000139335_100000210326 [1,1,0,0,0,0|0,0,0]=2 9242 B11R0.3 CCCCCSCCCCC=O 62a_100000210326_100000139335 [1,1,0,0,0,0|0,0,0]=2 9243 B11R0.3 CCCCCSCCCCCF 62a_100000210326_100000729378 [1,1,0,0,0,0|1,0,1]=4 9244 B11R0.3 CCCCCSCCCCCF 62a_100000729378_100000210326 [1,1,0,0,0,0|1,0,1]=4 9245 B11R0.3 CCCCCSCCCCCO 62a_100000210326_100000746330 [1,1,0,0,0,0|0,0,1]=3 9246 B11R0.3 CCCCCSCCCCCO 62a_100000746330_100000210326 [1,1,0,0,0,0|0,0,1]=3 9247 B11R0.3 CCCCCSCCCCOC 62a_100000210326_100000730899 [1,1,0,0,0,0|1,0,1]=4 9248 B11R0.3 CCCCCSCCCCOC 62a_100000730899_100000210326 [1,1,0,0,0,0|1,0,1]=4 9249 B11R0.3 CCCCCSCCOCCO 62a_100000210326_100011215305 [1,1,0,0,0,0|1,0,1]=4 9250 B11R0.3 CCCCCSCCOCCO 62a_100011215305_100000210326 [1,1,0,0,0,0|1,0,1]=4 9251 B11R0.3 CCCCNCCCCCC#N 2230a_100000102301_100009813376 [1,1,0,0,0,0|1,0,1]=4 9252 B11R0.3 CCCCNCCCCCC#N 7a_106832991798_100009813376 [1,1,0,0,0,0|1,0,1]=4 9253 B11R0.3 CCCCNCCCCCC=O 2230a_100000102301_100000139337 [1,1,0,0,0,0|0,0,0]=2 9254 B11R0.3 CCCCNCCCCCC=O 7a_106832991798_100000139337 [1,1,0,0,0,0|0,0,0]=2 9255 B11R0.3 CCCCNCCCCCCF 2230a_100000102301_100015922095 [1,1,0,0,0,0|1,0,1]=4 9256 B11R0.3 CCCCNCCCCCCF 7a_106832991798_100015922095 [1,1,0,0,0,0|1,0,1]=4 9257 B11R0.3 CCCCNCCCCCCO 2230a_100000102301_100000766143 [1,1,0,0,0,0|0,0,1]=3 9258 B11R0.3 CCCCNCCCCCCO 2230a_100000686447_100000210211 [1,1,0,0,0,0|0,0,1]=3 9259 B11R0.3 CCCCNCCCCCCO 34a_100000686447_100000210210 [1,1,0,0,0,0|0,0,1]=3 9260 B11R0.3 CCCCNCCCCCCO 7a_106832991798_100000766143 [1,1,0,0,0,0|0,0,1]=3 9261 B11R0.3 CCCCNCCCCCOC 2230a_100000747528_100000210211 [1,1,0,0,0,0|1,0,1]=4 9262 B11R0.3 CCCCNCCCCCOC 34a_100000747528_100000210210 [1,1,0,0,0,0|1,0,1]=4 9263 B11R0.3 CCCCOCCCCCC#N 7a_100000210227_100009813376 [1,1,0,0,0,0|1,0,1]=4 9264 B11R0.3 CCCCOCCCCCC=O 7a_100000210227_100000139337 [1,1,0,0,0,0|0,0,0]=2 9265 B11R0.3 CCCCOCCCCCCBr 34a_100011215345_100000210210 [1,1,0,0,0,0|1,0,1]=4 9266 B11R0.3 CCCCOCCCCCCBr 7a_100011215345_100000210211 [1,1,0,0,0,0|1,0,1]=4 9267 B11R0.3 CCCCOCCCCCCCl 34a_100000766143_100000210210 [1,1,0,0,0,0|1,0,1]=4 9268 B11R0.3 CCCCOCCCCCCCl 7a_100000766143_100000210211 [1,1,0,0,0,0|1,0,1]=4 9269 B11R0.3 CCCCOCCCCCCF 34a_100000210227_100015922095 [1,1,0,0,0,0|1,0,1]=4 9270 B11R0.3 CCCCOCCCCCCF 34a_100000732779_100000210210 [1,1,0,0,0,0|1,0,1]=4 9271 B11R0.3 CCCCOCCCCCCF 7a_100000210227_100015922095 [1,1,0,0,0,0|1,0,1]=4 9272 B11R0.3 CCCCOCCCCCCF 7a_100000732779_100000210211 [1,1,0,0,0,0|1,0,1]=4 9273 B11R0.3 CCCCOCCCCCCN 34a_100000686447_100000210210 [1,1,0,0,0,0|1,0,1]=4 9274 B11R0.3 CCCCOCCCCCCO 34a_100000210227_100000766143 [1,1,0,0,0,0|0,0,1]=3 9275 B11R0.3 CCCCOCCCCCCO 7a_100000210227_100000766143 [1,1,0,0,0,0|0,0,1]=3 9276 B11R0.3 CCCCOCCCCCNC 34a_100000722520_100000210210 [1,1,0,0,0,0|2,0,0]=4 9277 B11R0.3 CCCCOCCCNCC=O 2230a_200000211371_200015260668 [1,1,0,0,0,0|1,0,0]=3 9278 B11R0.3 CCCCOCCCNCC=O 34a_200000211371_200009817547 [1,1,0,0,0,0|1,0,0]=3 9279 B11R0.3 CCCCOCCCNCCO 2230a_200000211371_100000211926 [1,1,0,0,0,0|1,0,1]=4 9280 B11R0.3 CCCCOCCCNCCO 34a_200000211371_100000211926 [1,1,0,0,0,0|1,0,1]=4 9281 B11R0.3 CCCCOCCCOCC=O 34a_200011215613_200009817547 [1,1,0,0,0,0|1,0,0]=3 9282 B11R0.3 CCCCOCCCOCC=O 7a_200011215613_200015260668 [1,1,0,0,0,0|1,0,0]=3 9283 B11R0.3 CCCCOCCCOCCO 34a_200011215613_100000211926 [1,1,0,0,0,0|1,0,1]=4 9284 B11R0.3 CCCCOCCCOCCO 7a_200011215613_100000211926 [1,1,0,0,0,0|1,0,1]=4 9285 B11R0.3 CCCCOCCOCCCO 34a_100000210238_100000230001 [1,1,0,0,0,0|1,0,1]=4 9286 B11R0.3 CCCCOCCOCCCO 7a_100000210238_100011215043 [1,1,0,0,0,0|1,0,1]=4 9287 B11R0.3 CCCCOCCSCCCO 62a_100000743108_100011215043 [1,1,0,0,0,0|1,0,1]=4 9288 B11R0.3 CCCCOCCSCCCO 62a_100011215043_100000743108 [1,1,0,0,0,0|1,0,1]=4 9289 B11R0.3 CCCCOCNCCCCO 2230a_100000750430_100011995733 [1,1,0,0,0,0|1,0,1]=4 9290 B11R0.3 CCCCOCNCCCCO 34a_100000750430_100011995733 [1,1,0,0,0,0|1,0,1]=4 9291 B11R0.3 CCCCOCSCCCC=O 62a_100011995733_200011292268 [1,1,0,0,0,0|1,0,0]=3 9292 B11R0.3 CCCCOCSCCCC=O 62a_200011292268_100011995733 [1,1,0,0,0,0|1,0,0]=3 9293 B11R0.3 CCCCOCSCCCCO 62a_100000210776_100011995733 [1,1,0,0,0,0|1,0,1]=4 9294 B11R0.3 CCCCOCSCCCCO 62a_100011995733_100000210776 [1,1,0,0,0,0|1,0,1]=4 9295 B11R0.3 CCCCSCCCCCC#N 62a_100000210211_100009813376 [1,1,0,0,0,0|1,0,1]=4 9296 B11R0.3 CCCCSCCCCCC#N 62a_100009813376_100000210210 [1,1,0,0,0,0|1,0,1]=4 9297 B11R0.3 CCCCSCCCCCC=O 62a_100000139337_100000210210 [1,1,0,0,0,0|0,0,0]=2 9298 B11R0.3 CCCCSCCCCCC=O 62a_100000210211_100000139337 [1,1,0,0,0,0|0,0,0]=2 9299 B11R0.3 CCCCSCCCCCCF 62a_100000210211_100015922095 [1,1,0,0,0,0|1,0,1]=4 9300 B11R0.3 CCCCSCCCCCCF 62a_100015922095_100000210210 [1,1,0,0,0,0|1,0,1]=4 9301 B11R0.3 CCCCSCCCCCCO 62a_100000210211_100000766143 [1,1,0,0,0,0|0,0,1]=3 9302 B11R0.3 CCCCSCCCCCCO 62a_100000766143_100000210210 [1,1,0,0,0,0|0,0,1]=3 9303 B11R0.3 CCCCSCCNCCCO 2230a_100025743550_100000230001 [1,1,0,0,0,0|1,0,1]=4 9304 B11R0.3 CCCCSCCOCCCO 34a_200000230436_100000230001 [1,1,0,0,0,0|1,0,1]=4 9305 B11R0.3 CCCCSCCOCCCO 7a_200000230436_100011215043 [1,1,0,0,0,0|1,0,1]=4 9306 B11R0.3 CCCNCCCCCCCO 2230a_100011996573_100000210303 [1,1,0,0,0,0|0,0,1]=3 9307 B11R0.3 CCCNCCCCCCCO 34a_100011996573_100000210303 [1,1,0,0,0,0|0,0,1]=3 9308 B11R0.3 CCCNCCCOCCCO 2230a_100011310245_100000210303 [1,1,0,0,0,0|1,0,1]=4 9309 B11R0.3 CCCNCCCOCCCO 34a_100011310245_100000210303 [1,1,0,0,0,0|1,0,1]=4 9310 B11R0.3 CCCOCCCCCCCBr 34a_100000760002_100000210303 [1,1,0,0,0,0|1,0,1]=4 9311 B11R0.3 CCCOCCCCCCCBr 7a_100000760002_100000210303 [1,1,0,0,0,0|1,0,1]=4 9312 B11R0.3 CCCOCCCCCCCN 34a_100011996573_100000210303 [1,1,0,0,0,0|1,0,1]=4 9313 B11R0.3 CCCOCCCCCCCO 34a_100000210258_100000760002 [1,1,0,0,0,0|0,0,1]=3 9314 B11R0.3 CCCOCCCCCCOC 34a_100000210258_100011998445 [1,1,0,0,0,0|1,0,1]=4 9315 B11R0.3 CCCOCCCCCCOC 34a_200012092642_100000210303 [1,1,0,0,0,0|1,0,1]=4 9316 B11R0.3 CCCOCCCCCCOC 7a_200012092642_100000210303 [1,1,0,0,0,0|1,0,1]=4 9317 B11R0.3 CCCOCCCNCCCO 2230a_100011217757_100000230001 [1,1,0,0,0,0|1,0,1]=4 9318 B11R0.3 CCCOCCCNCCCO 34a_100011217757_100000230001 [1,1,0,0,0,0|1,0,1]=4 9319 B11R0.3 CCCOCCNCCCC=O 2230a_100161115042_200011292268 [1,1,0,0,0,0|1,0,0]=3 9320 B11R0.3 CCCOCCNCCCCO 2230a_100000750430_100011215938 [1,1,0,0,0,0|1,0,1]=4 9321 B11R0.3 CCCOCCNCCCCO 2230a_100161115042_100000210776 [1,1,0,0,0,0|1,0,1]=4 9322 B11R0.3 CCCOCCNCCCCO 34a_100000750430_100011215938 [1,1,0,0,0,0|1,0,1]=4 9323 B11R0.3 CCCOCCNCCCCO 34a_100161115042_100011216708 [1,1,0,0,0,0|1,0,1]=4 9324 B11R0.3 CCCOCCOCCCC=O 7a_100000752267_200011292268 [1,1,0,0,0,0|1,0,0]=3 9325 B11R0.3 CCCOCCOCCCCO 34a_100000752267_100011216708 [1,1,0,0,0,0|1,0,1]=4 9326 B11R0.3 CCCOCCOCCCCO 7a_100000752267_100000210776 [1,1,0,0,0,0|1,0,1]=4 9327 B11R0.3 CCCOCCSCCCC=O 62a_100011215938_200011292268 [1,1,0,0,0,0|1,0,0]=3 9328 B11R0.3 CCCOCCSCCCC=O 62a_200011292268_100011215938 [1,1,0,0,0,0|1,0,0]=3 9329 B11R0.3 CCCOCCSCCCCO 62a_100000210776_100011215938 [1,1,0,0,0,0|1,0,1]=4 9330 B11R0.3 CCCOCCSCCCCO 62a_100011215938_100000210776 [1,1,0,0,0,0|1,0,1]=4 9331 B11R0.3 CCCSCCCCCCC#N 62a_100000210303_100009813337 [1,1,0,0,0,0|1,0,1]=4 9332 B11R0.3 CCCSCCCCCCC#N 62a_100009813337_100000210303 [1,1,0,0,0,0|1,0,1]=4 9333 B11R0.3 CCCSCCCCCCCO 62a_100000210303_100000760002 [1,1,0,0,0,0|0,0,1]=3 9334 B11R0.3 CCCSCCCCCCCO 62a_100000760002_100000210303 [1,1,0,0,0,0|0,0,1]=3 9335 B11R0.3 CCCSCCCCCCOC 62a_100000210303_100011998445 [1,1,0,0,0,0|1,0,1]=4 9336 B11R0.3 CCCSCCCCCCOC 62a_100011998445_100000210303 [1,1,0,0,0,0|1,0,1]=4 9337 B11R0.3 CCCSCCNCCCC=O 2230a_100020603323_200011292268 [1,1,0,0,0,0|1,0,0]=3 9338 B11R0.3 CCCSCCNCCCCO 2230a_100020603323_100000210776 [1,1,0,0,0,0|1,0,1]=4 9339 B11R0.3 CCCSCCOCCCC=O 7a_200000230433_200011292268 [1,1,0,0,0,0|1,0,0]=3 9340 B11R0.3 CCCSCCOCCCCO 34a_200000230433_100011216708 [1,1,0,0,0,0|1,0,1]=4 9341 B11R0.3 CCCSCCOCCCCO 7a_200000230433_100000210776 [1,1,0,0,0,0|1,0,1]=4 9342 B11R0.3 CCNCCCCCCCCO 2230a_100015525214_100000033203 [1,1,0,0,0,0|0,0,1]=3 9343 B11R0.3 CCNCCCCCCCCO 2230a_102515433106_100000210202 [1,1,0,0,0,0|0,0,1]=3 9344 B11R0.3 CCNCCCCCCCCO 34a_102515433106_100000210202 [1,1,0,0,0,0|0,0,1]=3 9345 B11R0.3 CCOCCCCCCCCBr 34a_100009813846_100000210202 [1,1,0,0,0,0|1,0,1]=4 9346 B11R0.3 CCOCCCCCCCCBr 7a_100009813846_100000210202 [1,1,0,0,0,0|1,0,1]=4 9347 B11R0.3 CCOCCCCCCCCCl 34a_100000033203_100000210202 [1,1,0,0,0,0|1,0,1]=4 9348 B11R0.3 CCOCCCCCCCCCl 7a_100000033203_100000210202 [1,1,0,0,0,0|1,0,1]=4 9349 B11R0.3 CCOCCCCCCCCN 34a_102515433106_100000210202 [1,1,0,0,0,0|1,0,1]=4 9350 B11R0.3 CCOCCCCCCCCO 34a_100121572206_100000033203 [1,1,0,0,0,0|0,0,1]=3 9351 B11R0.3 CCOCCCNCCCC=O 2230a_100000210961_200011292268 [1,1,0,0,0,0|1,0,0]=3 9352 B11R0.3 CCOCCCNCCCCO 2230a_100000210961_100000210776 [1,1,0,0,0,0|1,0,1]=4 9353 B11R0.3 CCOCCCNCCCCO 2230a_100000750430_100012232248 [1,1,0,0,0,0|1,0,1]=4 9354 B11R0.3 CCOCCCNCCCCO 34a_100000210961_100011216708 [1,1,0,0,0,0|1,0,1]=4 9355 B11R0.3 CCOCCCNCCCCO 34a_100000750430_100012232248 [1,1,0,0,0,0|1,0,1]=4 9356 B11R0.3 CCOCCCOCCCC=O 7a_100000757476_200011292268 [1,1,0,0,0,0|1,0,0]=3 9357 B11R0.3 CCOCCCOCCCCO 34a_100000757476_100011216708 [1,1,0,0,0,0|1,0,1]=4 9358 B11R0.3 CCOCCCOCCCCO 7a_100000757476_100000210776 [1,1,0,0,0,0|1,0,1]=4 9359 B11R0.3 CCOCCCSCCCC=O 62a_100012232248_200011292268 [1,1,0,0,0,0|1,0,0]=3 9360 B11R0.3 CCOCCCSCCCC=O 62a_200011292268_100012232248 [1,1,0,0,0,0|1,0,0]=3 9361 B11R0.3 CCOCCCSCCCCO 62a_100000210776_100012232248 [1,1,0,0,0,0|1,0,1]=4 9362 B11R0.3 CCOCCCSCCCCO 62a_100012232248_100000210776 [1,1,0,0,0,0|1,0,1]=4 9363 B11R0.3 CCOCCNCCCCC=O 2230a_102516460346_100000139335 [1,1,0,0,0,0|1,0,0]=3 9364 B11R0.3 CCOCCNCCCCCO 2230a_100000762737_100011215890 [1,1,0,0,0,0|1,0,1]=4 9365 B11R0.3 CCOCCNCCCCCO 2230a_102516460346_100000746330 [1,1,0,0,0,0|1,0,1]=4 9366 B11R0.3 CCOCCNCCCCCO 34a_100000762737_100000210147 [1,1,0,0,0,0|1,0,1]=4 9367 B11R0.3 CCOCCNCCCCCO 34a_102516460346_100000746330 [1,1,0,0,0,0|1,0,1]=4 9368 B11R0.3 CCOCCOCCCCC=O 7a_100000210136_100000139335 [1,1,0,0,0,0|1,0,0]=3 9369 B11R0.3 CCOCCOCCCCCO 34a_100000210136_100000746330 [1,1,0,0,0,0|1,0,1]=4 9370 B11R0.3 CCOCCOCCCCCO 7a_100000210136_100000746330 [1,1,0,0,0,0|1,0,1]=4 9371 B11R0.3 CCOCCOCCNCC=O 2230a_100102712874_200015260668 [1,1,0,0,0,0|2,0,0]=4 9372 B11R0.3 CCOCCOCCNCC=O 34a_100102712874_200009817547 [1,1,0,0,0,0|2,0,0]=4 9373 B11R0.3 CCOCCOCCOCC=O 34a_100000210240_200009817547 [1,1,0,0,0,0|2,0,0]=4 9374 B11R0.3 CCOCCOCCOCC=O 7a_100000210240_200015260668 [1,1,0,0,0,0|2,0,0]=4 9375 B11R0.3 CCOCCOCCSCC=O 62a_100011211534_200015260668 [1,1,0,0,0,0|2,0,0]=4 9376 B11R0.3 CCOCCOCCSCC=O 62a_200015260668_100011211534 [1,1,0,0,0,0|2,0,0]=4 9377 B11R0.3 CCOCCSCCCCC=O 62a_100000139335_100011215890 [1,1,0,0,0,0|1,0,0]=3 9378 B11R0.3 CCOCCSCCCCC=O 62a_100000210147_100000139335 [1,1,0,0,0,0|1,0,0]=3 9379 B11R0.3 CCOCCSCCCCCO 62a_100000210147_100000746330 [1,1,0,0,0,0|1,0,1]=4 9380 B11R0.3 CCOCCSCCCCCO 62a_100000746330_100011215890 [1,1,0,0,0,0|1,0,1]=4 9381 B11R0.3 CCOCSCCCCCC=O 62a_100000139337_100000739092 [1,1,0,0,0,0|1,0,0]=3 9382 B11R0.3 CCOCSCCCCCC=O 62a_100000739092_100000139337 [1,1,0,0,0,0|1,0,0]=3 9383 B11R0.3 CCOCSCCCCCCO 62a_100000739092_100000766143 [1,1,0,0,0,0|1,0,1]=4 9384 B11R0.3 CCOCSCCCCCCO 62a_100000766143_100000739092 [1,1,0,0,0,0|1,0,1]=4 9385 B11R0.3 CCSCCCCCCCCO 62a_100000033203_100000210202 [1,1,0,0,0,0|0,0,1]=3 9386 B11R0.3 CCSCCCCCCCCO 62a_100000210202_100000033203 [1,1,0,0,0,0|0,0,1]=3 9387 B11R0.3 CCSCCCOCCCC=O 7a_100011216438_200011292268 [1,1,0,0,0,0|1,0,0]=3 9388 B11R0.3 CCSCCCOCCCCO 34a_100011216438_100011216708 [1,1,0,0,0,0|1,0,1]=4 9389 B11R0.3 CCSCCCOCCCCO 7a_100011216438_100000210776 [1,1,0,0,0,0|1,0,1]=4 9390 B11R0.3 CCSCCNCCCCC=O 2230a_100000106463_100000139335 [1,1,0,0,0,0|1,0,0]=3 9391 B11R0.3 CCSCCNCCCCCO 2230a_100000106463_100000746330 [1,1,0,0,0,0|1,0,1]=4 9392 B11R0.3 CCSCCNCCCCCO 2230a_100000762737_100000757381 [1,1,0,0,0,0|1,0,1]=4 9393 B11R0.3 CCSCCNCCCCCO 34a_100000762737_100000757381 [1,1,0,0,0,0|1,0,1]=4 9394 B11R0.3 CCSCCOCCCCC=O 7a_100000212035_100000139335 [1,1,0,0,0,0|1,0,0]=3 9395 B11R0.3 CCSCCOCCCCCO 34a_100000212035_100000746330 [1,1,0,0,0,0|1,0,1]=4 9396 B11R0.3 CCSCCOCCCCCO 7a_100000212035_100000746330 [1,1,0,0,0,0|1,0,1]=4 9397 B11R0.3 CCSCCSCCCCC=O 62a_100000139335_100000757381 [1,1,0,0,0,0|1,0,0]=3 9398 B11R0.3 CCSCCSCCCCC=O 62a_100000757381_100000139335 [1,1,0,0,0,0|1,0,0]=3 9399 B11R0.3 CCSCCSCCCCCO 62a_100000746330_100000757381 [1,1,0,0,0,0|1,0,1]=4 9400 B11R0.3 CCSCCSCCCCCO 62a_100000757381_100000746330 [1,1,0,0,0,0|1,0,1]=4 9401 B11R0.3 CNCCCCCCCCCO 2230a_100000078944_200000210301 [1,1,0,0,0,0|0,0,1]=3 9402 B11R0.3 CNCCCCCCCCCO 2230a_106832991635_100009813782 [1,1,0,0,0,0|0,0,1]=3 9403 B11R0.3 CNCCCCCCCCCO 34a_100000078944_200000210301 [1,1,0,0,0,0|0,0,1]=3 9404 B11R0.3 CNCCCCCCCCCO 34a_100102657272_100009813782 [1,1,0,0,0,0|0,0,1]=3 9405 B11R0.3 CNCCCCCCCCCO 7a_106832991635_100009813782 [1,1,0,0,0,0|0,0,1]=3 9406 B11R0.3 CNCCCCCOCCCO 34a_100000722520_100000230001 [1,1,0,0,0,0|1,0,1]=4 9407 B11R0.3 CNCCCOCCCCCO 34a_100000213112_100000746330 [1,1,0,0,0,0|1,0,1]=4 9408 B11R0.3 COCCCCCCCCCBr 34a_100009813782_200000210301 [1,1,0,0,0,0|1,0,1]=4 9409 B11R0.3 COCCCCCCCCCBr 7a_100009813782_200000210301 [1,1,0,0,0,0|1,0,1]=4 9410 B11R0.3 COCCCCCCCCCCl 34a_100009868337_200000210301 [1,1,0,0,0,0|1,0,1]=4 9411 B11R0.3 COCCCCCCCCCCl 7a_100009868337_200000210301 [1,1,0,0,0,0|1,0,1]=4 9412 B11R0.3 COCCCCCCCCCN 34a_100000078944_200000210301 [1,1,0,0,0,0|1,0,1]=4 9413 B11R0.3 COCCCCCCCCCO 34a_100138415774_100009813782 [1,1,0,0,0,0|0,0,1]=3 9414 B11R0.3 COCCCCCCNCCO 2230a_100016997473_100011998445 [1,1,0,0,0,0|1,0,1]=4 9415 B11R0.3 COCCCCCCNCCO 34a_100016990907_100011998445 [1,1,0,0,0,0|1,0,1]=4 9416 B11R0.3 COCCCCCCOCC=O 34a_200012092642_200009817547 [1,1,0,0,0,0|1,0,0]=3 9417 B11R0.3 COCCCCCCOCC=O 7a_200012092642_200015260668 [1,1,0,0,0,0|1,0,0]=3 9418 B11R0.3 COCCCCCCOCCO 34a_200012092642_100000211926 [1,1,0,0,0,0|1,0,1]=4 9419 B11R0.3 COCCCCCCOCCO 7a_200012092642_100000211926 [1,1,0,0,0,0|1,0,1]=4 9420 B11R0.3 COCCCCCCSCC=O 62a_100011998445_200015260668 [1,1,0,0,0,0|1,0,0]=3 9421 B11R0.3 COCCCCCCSCC=O 62a_200015260668_100011998445 [1,1,0,0,0,0|1,0,0]=3 9422 B11R0.3 COCCCCCCSCCO 62a_100000211926_100011998445 [1,1,0,0,0,0|1,0,1]=4 9423 B11R0.3 COCCCCCCSCCO 62a_100011998445_100000211926 [1,1,0,0,0,0|1,0,1]=4 9424 B11R0.3 COCCCCCNCCCO 2230a_100000747528_100000230001 [1,1,0,0,0,0|1,0,1]=4 9425 B11R0.3 COCCCCCNCCCO 34a_100000747528_100000230001 [1,1,0,0,0,0|1,0,1]=4 9426 B11R0.3 COCCCCNCCCCO 2230a_100000750430_100000730899 [1,1,0,0,0,0|1,0,1]=4 9427 B11R0.3 COCCCCNCCCCO 34a_100000750430_100000755781 [1,1,0,0,0,0|1,0,1]=4 9428 B11R0.3 COCCCCOCCCCO 34a_100000740925_100011216708 [1,1,0,0,0,0|1,0,1]=4 9429 B11R0.3 COCCCCSCCCC=O 62a_100000730899_200011292268 [1,1,0,0,0,0|1,0,0]=3 9430 B11R0.3 COCCCCSCCCC=O 62a_200011292268_100000730899 [1,1,0,0,0,0|1,0,0]=3 9431 B11R0.3 COCCCCSCCCCO 62a_100000210776_100000730899 [1,1,0,0,0,0|1,0,1]=4 9432 B11R0.3 COCCCCSCCCCO 62a_100000730899_100000210776 [1,1,0,0,0,0|1,0,1]=4 9433 B11R0.3 COCCCNCCCCCO 2230a_100000762737_100000740836 [1,1,0,0,0,0|1,0,1]=4 9434 B11R0.3 COCCCNCCCCCO 34a_100000762737_100000740836 [1,1,0,0,0,0|1,0,1]=4 9435 B11R0.3 COCCCNCCCCCO 34a_100150723488_100000746330 [1,1,0,0,0,0|1,0,1]=4 9436 B11R0.3 COCCCOCCCCCO 34a_100000740835_100000746330 [1,1,0,0,0,0|1,0,1]=4 9437 B11R0.3 COCCCSCCCCC=O 62a_100000139335_100000709357 [1,1,0,0,0,0|1,0,0]=3 9438 B11R0.3 COCCCSCCCCC=O 62a_100000709357_100000139335 [1,1,0,0,0,0|1,0,0]=3 9439 B11R0.3 COCCCSCCCCCO 62a_100000709357_100000746330 [1,1,0,0,0,0|1,0,1]=4 9440 B11R0.3 COCCCSCCCCCO 62a_100000746330_100000709357 [1,1,0,0,0,0|1,0,1]=4 9441 B11R0.3 COCCNCCCCCC=O 2230a_100000209980_100000139337 [1,1,0,0,0,0|1,0,0]=3 9442 B11R0.3 COCCNCCCCCCO 2230a_100000209980_100000766143 [1,1,0,0,0,0|1,0,1]=4 9443 B11R0.3 COCCNCCCCCCO 2230a_100000686447_100011201679 [1,1,0,0,0,0|1,0,1]=4 9444 B11R0.3 COCCNCCCCCCO 34a_100000686447_100011201679 [1,1,0,0,0,0|1,0,1]=4 9445 B11R0.3 COCCOCCCCCCO 34a_100000210237_100000766143 [1,1,0,0,0,0|1,0,1]=4 9446 B11R0.3 COCCOCCCNCC=O 2230a_100000206027_200015260668 [1,1,0,0,0,0|2,0,0]=4 9447 B11R0.3 COCCOCCCNCC=O 34a_100000206027_200009817547 [1,1,0,0,0,0|2,0,0]=4 9448 B11R0.3 COCCOCCCSCC=O 62a_100011216529_200015260668 [1,1,0,0,0,0|2,0,0]=4 9449 B11R0.3 COCCOCCCSCC=O 62a_200015260668_100011216529 [1,1,0,0,0,0|2,0,0]=4 9450 B11R0.3 COCCOCSCCCC=O 62a_100000231047_200011292268 [1,1,0,0,0,0|2,0,0]=4 9451 B11R0.3 COCCOCSCCCC=O 62a_200011292268_100000231047 [1,1,0,0,0,0|2,0,0]=4 9452 B11R0.3 COCCSCCCCCC=O 62a_100000139337_100000233755 [1,1,0,0,0,0|1,0,0]=3 9453 B11R0.3 COCCSCCCCCC=O 62a_100000233755_100000139337 [1,1,0,0,0,0|1,0,0]=3 9454 B11R0.3 COCCSCCCCCCO 62a_100000233755_100000766143 [1,1,0,0,0,0|1,0,1]=4 9455 B11R0.3 COCCSCCCCCCO 62a_100000766143_100000233755 [1,1,0,0,0,0|1,0,1]=4 9456 B11R0.3 COCNCCCCCCCO 2230a_100011996573_100000766300 [1,1,0,0,0,0|1,0,1]=4 9457 B11R0.3 COCSCCCCCCCO 62a_100000760002_100000766300 [1,1,0,0,0,0|1,0,1]=4 9458 B11R0.3 COCSCCCCCCCO 62a_100000766300_100000760002 [1,1,0,0,0,0|1,0,1]=4 9459 B11R0.3 CSCCCCCCCCCO 62a_100009813782_200000210301 [1,1,0,0,0,0|0,0,1]=3 9460 B11R0.3 CSCCCCCCCCCO 62a_200000210301_100009813782 [1,1,0,0,0,0|0,0,1]=3 9461 B11R0.3 CSCCCCOCCCC=O 7a_100011217163_200011292268 [1,1,0,0,0,0|1,0,0]=3 9462 B11R0.3 CSCCCCOCCCCO 34a_100011217163_100011216708 [1,1,0,0,0,0|1,0,1]=4 9463 B11R0.3 CSCCCCOCCCCO 7a_100011217163_100000210776 [1,1,0,0,0,0|1,0,1]=4 9464 B11R0.3 CSCCCNCCCCC=O 2230a_100000749238_100000139335 [1,1,0,0,0,0|1,0,0]=3 9465 B11R0.3 CSCCCNCCCCCO 2230a_100000749238_100000746330 [1,1,0,0,0,0|1,0,1]=4 9466 B11R0.3 CSCCCOCCCCC=O 7a_100000690336_100000139335 [1,1,0,0,0,0|1,0,0]=3 9467 B11R0.3 CSCCCOCCCCCO 34a_100000690336_100000746330 [1,1,0,0,0,0|1,0,1]=4 9468 B11R0.3 CSCCCOCCCCCO 7a_100000690336_100000746330 [1,1,0,0,0,0|1,0,1]=4 9469 B11R0.3 CSCCNCCCCCC=O 2230a_100020590264_100000139337 [1,1,0,0,0,0|1,0,0]=3 9470 B11R0.3 CSCCNCCCCCCO 2230a_100000686447_100000751147 [1,1,0,0,0,0|1,0,1]=4 9471 B11R0.3 CSCCNCCCCCCO 2230a_100020590264_100000766143 [1,1,0,0,0,0|1,0,1]=4 9472 B11R0.3 CSCCNCCCCCCO 34a_100000686447_100000212216 [1,1,0,0,0,0|1,0,1]=4 9473 B11R0.3 CSCCOCCCCCC=O 7a_100000230434_100000139337 [1,1,0,0,0,0|1,0,0]=3 9474 B11R0.3 CSCCOCCCCCCO 34a_100000230434_100000766143 [1,1,0,0,0,0|1,0,1]=4 9475 B11R0.3 CSCCOCCCCCCO 7a_100000230434_100000766143 [1,1,0,0,0,0|1,0,1]=4 9476 B11R0.3 CSCCSCCCCCC=O 62a_100000139337_100000751147 [1,1,0,0,0,0|1,0,0]=3 9477 B11R0.3 CSCCSCCCCCC=O 62a_100000212216_100000139337 [1,1,0,0,0,0|1,0,0]=3 9478 B11R0.3 CSCCSCCCCCCO 62a_100000212216_100000766143 [1,1,0,0,0,0|1,0,1]=4 9479 B11R0.3 CSCCSCCCCCCO 62a_100000766143_100000751147 [1,1,0,0,0,0|1,0,1]=4 9480 B11R0.3 CSCNCCCCCCCO 2230a_100011996573_100011218213 [1,1,0,0,0,0|1,0,1]=4 9481 B11R0.3 CSCNCCCCCCCO 34a_100011996573_100011218213 [1,1,0,0,0,0|1,0,1]=4 9482 B11R0.3 CSCSCCCCCCCO 62a_100000760002_100011218213 [1,1,0,0,0,0|1,0,1]=4 9483 B11R0.3 CSCSCCCCCCCO 62a_100011218213_100000760002 [1,1,0,0,0,0|1,0,1]=4 9484 B11R0.3 N#CCCCCCCSCC=O 62a_100009813337_200015260668 [1,1,0,0,0,0|1,0,1]=4 9485 B11R0.3 N#CCCCCCCSCC=O 62a_200015260668_100009813337 [1,1,0,0,0,0|1,0,1]=4 9486 B11R0.3 N#CCCCCSCCCC=O 62a_100011219923_200011292268 [1,1,0,0,0,0|1,0,1]=4 9487 B11R0.3 N#CCCCCSCCCC=O 62a_200011292268_100000211819 [1,1,0,0,0,0|1,0,1]=4 9488 B11R0.3 N#CCCCSCCCCC=O 62a_100000139335_100000687738 [1,1,0,0,0,0|1,0,1]=4 9489 B11R0.3 N#CCCCSCCCCC=O 62a_100000687738_100000139335 [1,1,0,0,0,0|1,0,1]=4 9490 B11R0.3 N#CCCSCCCCCC=O 62a_100000139337_100011215226 [1,1,0,0,0,0|1,0,1]=4 9491 B11R0.3 N#CCCSCCCCCC=O 62a_100011215226_100000139337 [1,1,0,0,0,0|1,0,1]=4 9492 B11R0.3 NCCCCCCCOCC=O 34a_100011996573_200009817547 [1,1,0,0,0,0|1,0,0]=3 9493 B11R0.3 NCCCCCCCOCCO 34a_100011996573_100000211926 [1,1,0,0,0,0|1,0,1]=4 9494 B11R0.3 NCCCCCCOCCCO 34a_100000686447_100000230001 [1,1,0,0,0,0|1,0,1]=4 9495 B11R0.3 NCCCCCOCCCCO 34a_100000762737_100011216708 [1,1,0,0,0,0|1,0,1]=4 9496 B11R0.3 NCCCCOCCCCCO 34a_100000750430_100000746330 [1,1,0,0,0,0|1,0,1]=4 9497 B11R0.3 NCCCOCCCCCCO 34a_100000182051_100000766143 [1,1,0,0,0,0|1,0,1]=4 9498 B11R0.3 NCCCOCCCOCC=O 34a_100011310245_200009817547 [1,1,0,0,0,0|2,0,0]=4 9499 B11R0.3 NCCOCCCCCCCO 34a_100000210304_100000760002 [1,1,0,0,0,0|1,0,1]=4 9500 B11R0.3 O=CCCCCCNCCCF 2230a_100015189416_100000139337 [1,1,0,0,0,0|1,0,0]=3 9501 B11R0.3 O=CCCCCCSCCCF 62a_100000139337_100011934791 [1,1,0,0,0,0|1,0,0]=3 9502 B11R0.3 O=CCCCCCSCCCF 62a_100011934791_100000139337 [1,1,0,0,0,0|1,0,0]=3 9503 B11R0.3 O=CCCCCCSCCCO 62a_100000139337_100011215043 [1,1,0,0,0,0|1,0,0]=3 9504 B11R0.3 O=CCCCCCSCCCO 62a_100011215043_100000139337 [1,1,0,0,0,0|1,0,0]=3 9505 B11R0.3 O=CCCCCNCCCCO 2230a_100000750430_100000139335 [1,1,0,0,0,0|1,0,0]=3 9506 B11R0.3 O=CCCCCOCCCCCl 7a_100000210776_100000139335 [1,1,0,0,0,0|1,0,0]=3 9507 B11R0.3 O=CCCCCOCCCCF 7a_100011995726_100000139335 [1,1,0,0,0,0|1,0,0]=3 9508 B11R0.3 O=CCCCCSCCCC=O 62a_100000139335_200011292268 [1,1,0,0,0,0|1,0,1]=4 9509 B11R0.3 O=CCCCCSCCCC=O 62a_200011292268_100000139335 [1,1,0,0,0,0|1,0,1]=4 9510 B11R0.3 O=CCCCCSCCCCF 62a_100000139335_100000729493 [1,1,0,0,0,0|1,0,0]=3 9511 B11R0.3 O=CCCCCSCCCCF 62a_100000729493_100000139335 [1,1,0,0,0,0|1,0,0]=3 9512 B11R0.3 O=CCCCCSCCCCO 62a_100000139335_100000210776 [1,1,0,0,0,0|1,0,0]=3 9513 B11R0.3 O=CCCCCSCCCCO 62a_100000210776_100000139335 [1,1,0,0,0,0|1,0,0]=3 9514 B11R0.3 O=CCCCNCCCCCO 2230a_100000762737_200011292268 [1,1,0,0,0,0|1,0,0]=3 9515 B11R0.3 O=CCCCNCCOCCO 2230a_100000211614_200011292268 [1,1,0,0,0,0|2,0,0]=4 9516 B11R0.3 O=CCCCNCCSCCO 2230a_100011219999_200011292268 [1,1,0,0,0,0|2,0,0]=4 9517 B11R0.3 O=CCCCOCCCCCBr 7a_100000746331_200011292268 [1,1,0,0,0,0|1,0,0]=3 9518 B11R0.3 O=CCCCOCCCCCCl 7a_100000746330_200011292268 [1,1,0,0,0,0|1,0,0]=3 9519 B11R0.3 O=CCCCOCCCCCI 7a_200012148887_200011292268 [1,1,0,0,0,0|1,0,0]=3 9520 B11R0.3 O=CCCCOCCOCCBr 7a_100000692535_200011292268 [1,1,0,0,0,0|2,0,0]=4 9521 B11R0.3 O=CCCCOCCOCCCl 7a_100011215305_200011292268 [1,1,0,0,0,0|2,0,0]=4 9522 B11R0.3 O=CCCCOCCOCCF 7a_200015357709_200011292268 [1,1,0,0,0,0|2,0,0]=4 9523 B11R0.3 O=CCCCOCCOCCI 7a_100012149058_200011292268 [1,1,0,0,0,0|2,0,0]=4 9524 B11R0.3 O=CCCCSCCCCCF 62a_100000729378_200011292268 [1,1,0,0,0,0|1,0,0]=3 9525 B11R0.3 O=CCCCSCCCCCF 62a_200011292268_100000729378 [1,1,0,0,0,0|1,0,0]=3 9526 B11R0.3 O=CCCCSCCCCCO 62a_100000746330_200011292268 [1,1,0,0,0,0|1,0,0]=3 9527 B11R0.3 O=CCCCSCCCCCO 62a_200011292268_100000746330 [1,1,0,0,0,0|1,0,0]=3 9528 B11R0.3 O=CCCCSCCOCCO 62a_100011215305_200011292268 [1,1,0,0,0,0|2,0,0]=4 9529 B11R0.3 O=CCCCSCCOCCO 62a_200011292268_100011215305 [1,1,0,0,0,0|2,0,0]=4 9530 B11R0.3 O=CCNCCCCCCCO 2230a_100011996573_200015260668 [1,1,0,0,0,0|1,0,0]=3 9531 B11R0.3 O=CCNCCCCCCCO 34a_100011996573_200009817547 [1,1,0,0,0,0|1,0,0]=3 9532 B11R0.3 O=CCNCCCOCCCO 2230a_100011310245_200015260668 [1,1,0,0,0,0|2,0,0]=4 9533 B11R0.3 O=CCNCCCOCCCO 34a_100011310245_200009817547 [1,1,0,0,0,0|2,0,0]=4 9534 B11R0.3 O=CCOCCCCCCCBr 34a_100000760002_200009817547 [1,1,0,0,0,0|1,0,0]=3 9535 B11R0.3 O=CCOCCCCCCCBr 7a_100000760002_200015260668 [1,1,0,0,0,0|1,0,0]=3 9536 B11R0.3 O=CCSCCCCCCCO 62a_100000760002_200015260668 [1,1,0,0,0,0|1,0,0]=3 9537 B11R0.3 O=CCSCCCCCCCO 62a_200015260668_100000760002 [1,1,0,0,0,0|1,0,0]=3 9538 B11R0.3 OCCCCCCCCNCF 34a_102515433106_100015361967 [1,1,0,0,0,0|1,0,1]=4 9539 B11R0.3 OCCCCCCCCSCF 62a_100000033203_100015361967 [1,1,0,0,0,0|1,0,1]=4 9540 B11R0.3 OCCCCCCCCSCF 62a_100015361967_100000033203 [1,1,0,0,0,0|1,0,1]=4 9541 B11R0.3 OCCCCCCCNCCF 2230a_100011996573_100011217306 [1,1,0,0,0,0|1,0,1]=4 9542 B11R0.3 OCCCCCCCNCCF 34a_100000724931_100000760002 [1,1,0,0,0,0|1,0,1]=4 9543 B11R0.3 OCCCCCCCNCCF 34a_100011996573_100011217306 [1,1,0,0,0,0|1,0,1]=4 9544 B11R0.3 OCCCCCCCNCCO 2230a_100011996573_100000211926 [1,1,0,0,0,0|1,0,1]=4 9545 B11R0.3 OCCCCCCCNCCO 2230a_100016997473_100000760002 [1,1,0,0,0,0|1,0,1]=4 9546 B11R0.3 OCCCCCCCNCCO 34a_100011996573_100000211926 [1,1,0,0,0,0|1,0,1]=4 9547 B11R0.3 OCCCCCCCNCCO 34a_100016990907_100000760002 [1,1,0,0,0,0|1,0,1]=4 9548 B11R0.3 OCCCCCCCOCCBr 34a_100000211926_100000760002 [1,1,0,0,0,0|1,0,1]=4 9549 B11R0.3 OCCCCCCCSCCF 62a_100000760002_100011217306 [1,1,0,0,0,0|1,0,1]=4 9550 B11R0.3 OCCCCCCCSCCF 62a_100011217306_100000760002 [1,1,0,0,0,0|1,0,1]=4 9551 B11R0.3 OCCCCCCCSCCO 62a_100000211926_100000760002 [1,1,0,0,0,0|1,0,1]=4 9552 B11R0.3 OCCCCCCCSCCO 62a_100000760002_100000211926 [1,1,0,0,0,0|1,0,1]=4 9553 B11R0.3 OCCCCCCNCCCF 2230a_100000686447_100011934791 [1,1,0,0,0,0|1,0,1]=4 9554 B11R0.3 OCCCCCCNCCCF 2230a_100015189416_100000766143 [1,1,0,0,0,0|1,0,1]=4 9555 B11R0.3 OCCCCCCNCCCF 34a_100000686447_100011934791 [1,1,0,0,0,0|1,0,1]=4 9556 B11R0.3 OCCCCCCNCCCF 34a_100015189416_100000766143 [1,1,0,0,0,0|1,0,1]=4 9557 B11R0.3 OCCCCCCNCCCO 2230a_100000686447_100000230001 [1,1,0,0,0,0|1,0,1]=4 9558 B11R0.3 OCCCCCCNCCCO 34a_100000686447_100000230001 [1,1,0,0,0,0|1,0,1]=4 9559 B11R0.3 OCCCCCCOCCCBr 34a_100011217188_100000766143 [1,1,0,0,0,0|1,0,1]=4 9560 B11R0.3 OCCCCCCOCCCCl 34a_100000230001_100000766143 [1,1,0,0,0,0|1,0,1]=4 9561 B11R0.3 OCCCCCCOCCCF 34a_100000759539_100000766143 [1,1,0,0,0,0|1,0,1]=4 9562 B11R0.3 OCCCCCCSCCCF 62a_100000766143_100011934791 [1,1,0,0,0,0|1,0,1]=4 9563 B11R0.3 OCCCCCCSCCCF 62a_100011934791_100000766143 [1,1,0,0,0,0|1,0,1]=4 9564 B11R0.3 OCCCCCCSCCCO 62a_100000766143_100011215043 [1,1,0,0,0,0|1,0,1]=4 9565 B11R0.3 OCCCCCCSCCCO 62a_100011215043_100000766143 [1,1,0,0,0,0|1,0,1]=4 9566 B11R0.3 OCCCCCNCCCCF 2230a_100000762737_100000729493 [1,1,0,0,0,0|1,0,1]=4 9567 B11R0.3 OCCCCCNCCCCF 34a_100000762737_100000729493 [1,1,0,0,0,0|1,0,1]=4 9568 B11R0.3 OCCCCCNCCCCO 2230a_100000750430_100000746330 [1,1,0,0,0,0|1,0,1]=4 9569 B11R0.3 OCCCCCNCCCCO 2230a_100000762737_100000210776 [1,1,0,0,0,0|1,0,1]=4 9570 B11R0.3 OCCCCCNCCCCO 34a_100000750430_100000746330 [1,1,0,0,0,0|1,0,1]=4 9571 B11R0.3 OCCCCCNCCCCO 34a_100000762737_100011216708 [1,1,0,0,0,0|1,0,1]=4 9572 B11R0.3 OCCCCCOCCCCBr 34a_100011216708_100000746330 [1,1,0,0,0,0|1,0,1]=4 9573 B11R0.3 OCCCCCOCCCCCl 34a_100000210776_100000746330 [1,1,0,0,0,0|1,0,1]=4 9574 B11R0.3 OCCCCCOCCCCCl 7a_100000210776_100000746330 [1,1,0,0,0,0|1,0,1]=4 9575 B11R0.3 OCCCCCOCCCCF 34a_100011995726_100000746330 [1,1,0,0,0,0|1,0,1]=4 9576 B11R0.3 OCCCCCOCCCCF 7a_100011995726_100000746330 [1,1,0,0,0,0|1,0,1]=4 9577 B11R0.3 OCCCCCOCCCCI 34a_200012148704_100000746330 [1,1,0,0,0,0|1,0,1]=4 9578 B11R0.3 OCCCCCSCCCCF 62a_100000729493_100000746330 [1,1,0,0,0,0|1,0,1]=4 9579 B11R0.3 OCCCCCSCCCCF 62a_100000746330_100000729493 [1,1,0,0,0,0|1,0,1]=4 9580 B11R0.3 OCCCCCSCCCCO 62a_100000210776_100000746330 [1,1,0,0,0,0|1,0,1]=4 9581 B11R0.3 OCCCCCSCCCCO 62a_100000746330_100000210776 [1,1,0,0,0,0|1,0,1]=4 9582 B11R0.3 OCCCCNCCCCCF 2230a_100000750430_100000729378 [1,1,0,0,0,0|1,0,1]=4 9583 B11R0.3 OCCCCNCCCCCF 34a_100000750430_100000729378 [1,1,0,0,0,0|1,0,1]=4 9584 B11R0.3 OCCCCOCCCCCBr 34a_100000746331_100011216708 [1,1,0,0,0,0|1,0,1]=4 9585 B11R0.3 OCCCCOCCCCCBr 7a_100000746331_100000210776 [1,1,0,0,0,0|1,0,1]=4 9586 B11R0.3 OCCCCOCCCCCCl 34a_100000746330_100011216708 [1,1,0,0,0,0|1,0,1]=4 9587 B11R0.3 OCCCCOCCCCCCl 7a_100000746330_100000210776 [1,1,0,0,0,0|1,0,1]=4 9588 B11R0.3 OCCCCOCCCCCI 34a_200012148887_100011216708 [1,1,0,0,0,0|1,0,1]=4 9589 B11R0.3 OCCCCOCCCCCI 7a_200012148887_100000210776 [1,1,0,0,0,0|1,0,1]=4 9590 B11R0.3 OCCCCSCCCCCF 62a_100000210776_100000729378 [1,1,0,0,0,0|1,0,1]=4 9591 B11R0.3 OCCCCSCCCCCF 62a_100000729378_100000210776 [1,1,0,0,0,0|1,0,1]=4 9592 B11R0.3 OCCCOCCCCCCBr 34a_100011215345_100000230001 [1,1,0,0,0,0|1,0,1]=4 9593 B11R0.3 OCCCOCCCCCCBr 7a_100011215345_100011215043 [1,1,0,0,0,0|1,0,1]=4 9594 B11R0.3 OCCCOCCCCCCCl 34a_100000766143_100000230001 [1,1,0,0,0,0|1,0,1]=4 9595 B11R0.3 OCCCOCCCCCCCl 7a_100000766143_100011215043 [1,1,0,0,0,0|1,0,1]=4 9596 B11R0.3 OCCCOCCCCCCF 34a_100000732779_100000230001 [1,1,0,0,0,0|1,0,1]=4 9597 B11R0.3 OCCCOCCCCCCF 7a_100000732779_100011215043 [1,1,0,0,0,0|1,0,1]=4 9598 B11R0.3 OCCCSCCCCCCF 62a_100011215043_100015922095 [1,1,0,0,0,0|1,0,1]=4 9599 B11R0.3 OCCCSCCCCCCF 62a_100015922095_100011215043 [1,1,0,0,0,0|1,0,1]=4 9600 B11R0.3 OCCOCCCCCCCBr 34a_100000760002_100000211926 [1,1,0,0,0,0|1,0,1]=4 9601 B11R0.3 OCCOCCCCCCCBr 7a_100000760002_100000211926 [1,1,0,0,0,0|1,0,1]=4 9602 B11R0.3 [13CH3]NCCCCCCCCCO 2230a_100000078944_200025704644 [1,1,0,0,0,0|0,0,1]=3 9603 B11R0.3 [13CH3]NCCCCCCCCCO 34a_100000078944_200025704644 [1,1,0,0,0,0|0,0,1]=3 9604 B11R0.3 [13CH3]OCCCCCCCCCBr 34a_100009813782_200025704644 [1,1,0,0,0,0|1,0,1]=4 9605 B11R0.3 [13CH3]OCCCCCCCCCBr 7a_100009813782_200025704644 [1,1,0,0,0,0|1,0,1]=4 9606 B11R0.3 [13CH3]OCCCCCCCCCCl 34a_100009868337_200025704644 [1,1,0,0,0,0|1,0,1]=4 9607 B11R0.3 [13CH3]OCCCCCCCCCCl 7a_100009868337_200025704644 [1,1,0,0,0,0|1,0,1]=4 9608 B11R0.3 [13CH3]OCCCCCCCCCN 34a_100000078944_200025704644 [1,1,0,0,0,0|1,0,1]=4 9609 B11R0.3 [13CH3]SCCCCCCCCCO 62a_100009813782_200025704644 [1,1,0,0,0,0|0,0,1]=3 9610 B11R0.3 [13CH3]SCCCCCCCCCO 62a_200025704644_100009813782 [1,1,0,0,0,0|0,0,1]=3 9611 B11R0.4 C=CCC(=O)CCCCCCC 1458a_100000210193_100000210614 [1,1,0,0,0,0|1,0,1]=4 9612 B11R0.4 C=CCC(=O)CCCCCCC 1458a_100000211969_100000210623 [1,1,0,0,0,0|1,0,1]=4 9613 B11R0.4 C=CCC(C)COCCCCC 34a_100009832082_100000718602 [1,1,0,0,0,0|2,0,0]=4 9614 B11R0.4 C=CCC(C)COCCCCC 7a_100009832082_100000210326 [1,1,0,0,0,0|2,0,0]=4 9615 B11R0.4 C=CCCCCCC(=O)CCC 1458a_100000211992_100000700193 [1,1,0,0,0,0|1,0,1]=4 9616 B11R0.4 C=CCCCCCC(=O)CCC 1458a_100011934241_100000210303 [1,1,0,0,0,0|1,0,1]=4 9617 B11R0.4 C=CCCCCCN(C)CCC 2230a_100000747261_100000700193 [1,1,0,0,0,0|2,0,0]=4 9618 B11R0.4 C=CCCCCCN(C)CCC 269982a_100000747261_100000700193 [1,1,0,0,0,0|2,0,0]=4 9619 B11R0.4 C=CCCCCNC(C)CCC 2230a_100000703577_100000766640 [1,1,0,0,0,0|2,0,0]=4 9620 B11R0.4 C=CCCCCNC(C)CCC 2230a_100000741246_100011215482 [1,1,0,0,0,0|2,0,0]=4 9621 B11R0.4 C=CCCCCNC(C)CCC 270004a_100000703577_100000211909 [1,1,0,0,0,0|2,0,0]=4 9622 B11R0.4 C=CCCCCNC(C)CCC 34a_100000703577_100000766640 [1,1,0,0,0,0|2,0,0]=4 9623 B11R0.4 C=CCCCCOC(C)CCC 34a_100000764384_100011215482 [1,1,0,0,0,0|2,0,0]=4 9624 B11R0.4 C=CCCCCOC(C)CCC 34a_100000766645_100000766640 [1,1,0,0,0,0|2,0,0]=4 9625 B11R0.4 C=CCCCCOC(C)CCC 7a_100000764384_100011215482 [1,1,0,0,0,0|2,0,0]=4 9626 B11R0.4 C=CCCCCOC(C)CCC 7a_100000766645_100000766640 [1,1,0,0,0,0|2,0,0]=4 9627 B11R0.4 C=CCCCCSC(C)CCC 62a_100000766640_100011215482 [1,1,0,0,0,0|2,0,0]=4 9628 B11R0.4 C=CCCCCSC(C)CCC 62a_100011215482_100000766640 [1,1,0,0,0,0|2,0,0]=4 9629 B11R0.4 C=CCCCNCC(C)CCC 2230a_100000700776_100011216630 [1,1,0,0,0,0|2,0,0]=4 9630 B11R0.4 C=CCCCNCC(C)CCC 270004a_100000700776_100000243154 [1,1,0,0,0,0|2,0,0]=4 9631 B11R0.4 C=CCCCNCC(C)CCC 34a_100000700776_100011216630 [1,1,0,0,0,0|2,0,0]=4 9632 B11R0.4 C=CCCCOCC(C)CCC 34a_100000688023_100000757094 [1,1,0,0,0,0|2,0,0]=4 9633 B11R0.4 C=CCCCOCC(C)CCC 34a_100000758997_100011216630 [1,1,0,0,0,0|2,0,0]=4 9634 B11R0.4 C=CCCCOCC(C)CCC 7a_100000688023_100000757094 [1,1,0,0,0,0|2,0,0]=4 9635 B11R0.4 C=CCCCOCC(C)CCC 7a_100000758997_100011216630 [1,1,0,0,0,0|2,0,0]=4 9636 B11R0.4 C=CCCCOC[C@@H](N)CCC 34a_100000732646_100000757094 [1,1,0,0,0,0|2,0,0]=4 9637 B11R0.4 C=CCCCSCC(C)CCC 62a_100011216630_100000757094 [1,1,0,0,0,0|2,0,0]=4 9638 B11R0.4 C=CCCCSCC(C)CCC 62a_100011713584_100011216630 [1,1,0,0,0,0|2,0,0]=4 9639 B11R0.4 C=CCCOCCC(C)CCC 34a_100011217855_100000754431 [1,1,0,0,0,0|2,0,0]=4 9640 B11R0.4 C=CCCOCCC(C)CCC 7a_100011217855_100000754431 [1,1,0,0,0,0|2,0,0]=4 9641 B11R0.4 C=CCCOCC[C@@H](N)CCC 34a_100015193777_100000754431 [1,1,0,0,0,0|2,0,0]=4 9642 B11R0.4 C=CCN(C)CCCCCCC 2230a_100000225617_100000210681 [1,1,0,0,0,0|2,0,0]=4 9643 B11R0.4 C=CCN(C)CCCCCCC 2230a_100000228206_100000210623 [1,1,0,0,0,0|2,0,0]=4 9644 B11R0.4 C=CCN(C)CCCCCCC 269982a_100000225617_100000210681 [1,1,0,0,0,0|2,0,0]=4 9645 B11R0.4 C=CCN(C)CCCCCCC 269982a_100000228206_100000210623 [1,1,0,0,0,0|2,0,0]=4 9646 B11R0.4 C=CCOCCCC(C)CCC 34a_100011713154_100015514636 [1,1,0,0,0,0|2,0,0]=4 9647 B11R0.4 C=CCOCCCC(C)CCC 7a_100011713154_100015514636 [1,1,0,0,0,0|2,0,0]=4 9648 B11R0.4 C=CC[C@@H](C)OCCCCCC 34a_100000731007_100000210314 [1,1,0,0,0,0|2,0,0]=4 9649 B11R0.4 C=CC[C@@H](C)OCCCCCC 7a_100000731007_100000210314 [1,1,0,0,0,0|2,0,0]=4 9650 B11R0.4 C=CC[C@@H](N)COCCCCC 34a_100020615467_100000718602 [1,1,0,0,0,0|2,0,0]=4 9651 B11R0.4 CC(CCO)SCCCCC=O 62a_100000139335_100009893172 [1,1,0,0,0,0|2,0,0]=4 9652 B11R0.4 CC(CCO)SCCCCC=O 62a_100009893172_100000139335 [1,1,0,0,0,0|2,0,0]=4 9653 B11R0.4 CCCC(=O)CCCCCCO 1458a_100000211992_100000766143 [1,1,0,0,0,0|0,0,2]=4 9654 B11R0.4 CCCC(=O)CCCCCCO 1458a_100011996774_100000210303 [1,1,0,0,0,0|0,0,2]=4 9655 B11R0.4 CCCC(=O)CSCCCC=O 62a_100000747444_200011292268 [1,1,0,0,0,0|1,0,1]=4 9656 B11R0.4 CCCC(=O)CSCCCC=O 62a_200011292268_100000747444 [1,1,0,0,0,0|1,0,1]=4 9657 B11R0.4 CCCC(C)CCCOCC=O 34a_100011713154_200009817547 [1,1,0,0,0,0|1,0,0]=3 9658 B11R0.4 CCCC(C)CCCOCC=O 7a_100011713154_200015260668 [1,1,0,0,0,0|1,0,0]=3 9659 B11R0.4 CCCC(C)CCCOCCO 34a_100011713154_100000211926 [1,1,0,0,0,0|1,0,1]=4 9660 B11R0.4 CCCC(C)CCCOCCO 7a_100011713154_100000211926 [1,1,0,0,0,0|1,0,1]=4 9661 B11R0.4 CCCC(C)CCOCCCO 34a_100011217855_100000230001 [1,1,0,0,0,0|1,0,1]=4 9662 B11R0.4 CCCC(C)CCOCCCO 7a_100011217855_100011215043 [1,1,0,0,0,0|1,0,1]=4 9663 B11R0.4 CCCC(C)CNCCCCO 2230a_100000750430_100011216630 [1,1,0,0,0,0|1,0,1]=4 9664 B11R0.4 CCCC(C)CNCCCCO 270004a_100000750430_100000243154 [1,1,0,0,0,0|1,0,1]=4 9665 B11R0.4 CCCC(C)CNCCCCO 34a_100000750430_100011216630 [1,1,0,0,0,0|1,0,1]=4 9666 B11R0.4 CCCC(C)COCCCC=O 7a_100000688023_200011292268 [1,1,0,0,0,0|1,0,0]=3 9667 B11R0.4 CCCC(C)COCCCCO 34a_100000688023_100011216708 [1,1,0,0,0,0|1,0,1]=4 9668 B11R0.4 CCCC(C)COCCCCO 7a_100000688023_100000210776 [1,1,0,0,0,0|1,0,1]=4 9669 B11R0.4 CCCC(C)CSCCCC=O 62a_100011216630_200011292268 [1,1,0,0,0,0|1,0,0]=3 9670 B11R0.4 CCCC(C)CSCCCC=O 62a_200011292268_100011216630 [1,1,0,0,0,0|1,0,0]=3 9671 B11R0.4 CCCC(C)CSCCCCO 62a_100000210776_100011216630 [1,1,0,0,0,0|1,0,1]=4 9672 B11R0.4 CCCC(C)CSCCCCO 62a_100011216630_100000210776 [1,1,0,0,0,0|1,0,1]=4 9673 B11R0.4 CCCC(C)NCCCCC=O 2230a_100000741246_100000139335 [1,1,0,0,0,0|1,0,0]=3 9674 B11R0.4 CCCC(C)NCCCCCO 2230a_100000741246_100000746330 [1,1,0,0,0,0|1,0,1]=4 9675 B11R0.4 CCCC(C)NCCCCCO 2230a_100000762737_100000766640 [1,1,0,0,0,0|1,0,1]=4 9676 B11R0.4 CCCC(C)NCCCCCO 270004a_100000762737_100000211909 [1,1,0,0,0,0|1,0,1]=4 9677 B11R0.4 CCCC(C)NCCCCCO 34a_100000762737_100000766640 [1,1,0,0,0,0|1,0,1]=4 9678 B11R0.4 CCCC(C)OCCCCC=O 7a_100000764384_100000139335 [1,1,0,0,0,0|1,0,0]=3 9679 B11R0.4 CCCC(C)OCCCCCO 34a_100000764384_100000746330 [1,1,0,0,0,0|1,0,1]=4 9680 B11R0.4 CCCC(C)OCCCCCO 7a_100000764384_100000746330 [1,1,0,0,0,0|1,0,1]=4 9681 B11R0.4 CCCC(C)SCCCCC=O 62a_100000139335_100000766640 [1,1,0,0,0,0|1,0,0]=3 9682 B11R0.4 CCCC(C)SCCCCC=O 62a_100000766640_100000139335 [1,1,0,0,0,0|1,0,0]=3 9683 B11R0.4 CCCC(C)SCCCCCO 62a_100000746330_100000766640 [1,1,0,0,0,0|1,0,1]=4 9684 B11R0.4 CCCC(C)SCCCCCO 62a_100000766640_100000746330 [1,1,0,0,0,0|1,0,1]=4 9685 B11R0.4 CCCCCCCC(=O)CCO 1458a_100000211969_100000211926 [1,1,0,0,0,0|0,0,2]=4 9686 B11R0.4 CCCCCCCC(=O)CCO 1458a_100011216618_100000210614 [1,1,0,0,0,0|0,0,2]=4 9687 B11R0.4 CCCCCCCN(C)CC=O 2230a_100000228206_200015260668 [1,1,0,0,0,0|1,0,0]=3 9688 B11R0.4 CCCCCCCN(C)CC=O 269982a_100000228206_200015260668 [1,1,0,0,0,0|1,0,0]=3 9689 B11R0.4 CCCCCCCN(C)CCO 2230a_100000210263_100000210681 [1,1,0,0,0,0|1,0,1]=4 9690 B11R0.4 CCCCCCCN(C)CCO 2230a_100000228206_100000211926 [1,1,0,0,0,0|1,0,1]=4 9691 B11R0.4 CCCCCCCN(C)CCO 269982a_100000210263_100000210681 [1,1,0,0,0,0|1,0,1]=4 9692 B11R0.4 CCCCCCCN(C)CCO 269982a_100000228206_100000211926 [1,1,0,0,0,0|1,0,1]=4 9693 B11R0.4 CCCCCCNC(C)CCO 2230a_100000210581_100009893172 [1,1,0,0,0,0|1,0,1]=4 9694 B11R0.4 CCCCCCN[C@H](C)CCO 2230a_100000706166_100000210314 [1,1,0,0,0,0|1,0,1]=4 9695 B11R0.4 CCCCCCN[C@H](C)CCO 34a_100000706166_100000210314 [1,1,0,0,0,0|1,0,1]=4 9696 B11R0.4 CCCCCCOC(C)CCO 34a_100000210259_100009893172 [1,1,0,0,0,0|1,0,1]=4 9697 B11R0.4 CCCCCCOC(C)CCO 7a_100000210259_100009893172 [1,1,0,0,0,0|1,0,1]=4 9698 B11R0.4 CCCCCCSC(C)CCO 62a_100000210314_100009893172 [1,1,0,0,0,0|1,0,1]=4 9699 B11R0.4 CCCCCCSC(C)CCO 62a_100009893172_100000210757 [1,1,0,0,0,0|1,0,1]=4 9700 B11R0.4 CCCN(C)CCCCCC=O 2230a_100000747261_100000139337 [1,1,0,0,0,0|1,0,0]=3 9701 B11R0.4 CCCN(C)CCCCCC=O 269982a_100000747261_100000139337 [1,1,0,0,0,0|1,0,0]=3 9702 B11R0.4 CCCN(C)CCCCCCO 2230a_100000747261_100000766143 [1,1,0,0,0,0|1,0,1]=4 9703 B11R0.4 CCCN(C)CCCCCCO 269982a_100000747261_100000766143 [1,1,0,0,0,0|1,0,1]=4 9704 B11R0.4 CCC[C@H](N)CCOCCCO 34a_100015193777_100000230001 [1,1,0,0,0,0|1,0,1]=4 9705 B11R0.4 CCC[C@H](N)COCCCCO 34a_100000732646_100011216708 [1,1,0,0,0,0|1,0,1]=4 9706 B11R0.4 CN(CCO)CCCCCC=O 2230a_100000210263_100000139337 [1,1,0,0,0,0|2,0,0]=4 9707 B11R0.4 CN(CCO)CCCCCC=O 269982a_100000210263_100000139337 [1,1,0,0,0,0|2,0,0]=4 9708 B11R0.4 COCC(C)SCCCCC=O 62a_100000139335_100000765312 [1,1,0,0,0,0|2,0,0]=4 9709 B11R0.4 COCC(C)SCCCCC=O 62a_100000765312_100000139335 [1,1,0,0,0,0|2,0,0]=4 9710 B11R0.4 COCC(O)CNCCCC=O 2230a_100000756049_200011292268 [1,1,0,0,0,0|2,0,0]=4 9711 B11R0.4 COCC(O)CSCCCC=O 62a_100011215053_200011292268 [1,1,0,0,0,0|2,0,0]=4 9712 B11R0.4 COCC(O)CSCCCC=O 62a_200011292268_100011215053 [1,1,0,0,0,0|2,0,0]=4 9713 B11R0.4 COC[C@@H](C)NCCCCC=O 2230a_100000764878_100000139335 [1,1,0,0,0,0|2,0,0]=4 9714 B11R0.4 C[C@H](CCO)NCCCCC=O 2230a_100000706166_100000139335 [1,1,0,0,0,0|2,0,0]=4 9715 B11R0.81 C=CCCC(=O)CCCCCC 1458a_100000749702_100000210757 [1,1,0,0,0,0|1,0,1]=4 9716 B11R0.81 C=CCCC(=O)CCCCCC 1458a_100102632555_100000754431 [1,1,0,0,0,0|1,0,1]=4 9717 B11R0.81 C=CCCC(C)NCCCCC 270004a_100000209983_100000762624 [1,1,0,0,0,0|2,0,0]=4 9718 B11R0.81 C=CCCC(C)OCCCCC 34a_100000765329_100000718602 [1,1,0,0,0,0|2,0,0]=4 9719 B11R0.81 C=CCCC(C)OCCCCC 7a_100000765329_100000210326 [1,1,0,0,0,0|2,0,0]=4 9720 B11R0.81 C=CCCCCC(=O)CCCC 1458a_100000210183_100011215482 [1,1,0,0,0,0|1,0,1]=4 9721 B11R0.81 C=CCCCCC(=O)CCCC 1458a_100011215552_100000210211 [1,1,0,0,0,0|1,0,1]=4 9722 B11R0.81 C=CCCCCN(C)CCCC 2230a_100000207549_100011215482 [1,1,0,0,0,0|2,0,0]=4 9723 B11R0.81 C=CCCCCN(C)CCCC 2230a_100012000471_100000210211 [1,1,0,0,0,0|2,0,0]=4 9724 B11R0.81 C=CCCCCN(C)CCCC 269982a_100000207549_100011215482 [1,1,0,0,0,0|2,0,0]=4 9725 B11R0.81 C=CCCCCN(C)CCCC 269982a_100012000471_100000210211 [1,1,0,0,0,0|2,0,0]=4 9726 B11R0.81 C=CCCCNC(C)CCCC 2230a_100000126638_100011713584 [1,1,0,0,0,0|2,0,0]=4 9727 B11R0.81 C=CCCCNC(C)CCCC 2230a_100000700776_200011215066 [1,1,0,0,0,0|2,0,0]=4 9728 B11R0.81 C=CCCCNC(C)CCCC 270004a_100000700776_100000210087 [1,1,0,0,0,0|2,0,0]=4 9729 B11R0.81 C=CCCCNC(C)CCCC 34a_100000700776_200011215066 [1,1,0,0,0,0|2,0,0]=4 9730 B11R0.81 C=CCCCOC(C)CCCC 34a_100000687866_100000757094 [1,1,0,0,0,0|2,0,0]=4 9731 B11R0.81 C=CCCCOC(C)CCCC 34a_100000758997_200011215066 [1,1,0,0,0,0|2,0,0]=4 9732 B11R0.81 C=CCCCOC(C)CCCC 7a_100000687866_100000757094 [1,1,0,0,0,0|2,0,0]=4 9733 B11R0.81 C=CCCCOC(C)CCCC 7a_100000758997_200011215066 [1,1,0,0,0,0|2,0,0]=4 9734 B11R0.81 C=CCCCSC(C)CCCC 62a_100011713584_200011215066 [1,1,0,0,0,0|2,0,0]=4 9735 B11R0.81 C=CCCCSC(C)CCCC 62a_200011215066_100000757094 [1,1,0,0,0,0|2,0,0]=4 9736 B11R0.81 C=CCCN(C)CCCCCC 2230a_100020639649_100000210314 [1,1,0,0,0,0|2,0,0]=4 9737 B11R0.81 C=CCCN(C)CCCCCC 2230a_106256046315_100000754431 [1,1,0,0,0,0|2,0,0]=4 9738 B11R0.81 C=CCCN(C)CCCCCC 269982a_100020639649_100000210757 [1,1,0,0,0,0|2,0,0]=4 9739 B11R0.81 C=CCCN(C)CCCCCC 269982a_106256046315_100000754431 [1,1,0,0,0,0|2,0,0]=4 9740 B11R0.81 C=CCCOCC(C)CCCC 34a_100011995851_100000754431 [1,1,0,0,0,0|2,0,0]=4 9741 B11R0.81 C=CCCOCC(C)CCCC 7a_100011995851_100000754431 [1,1,0,0,0,0|2,0,0]=4 9742 B11R0.81 C=CCCOC[C@@H](N)CCCC 34a_100011934283_100000754431 [1,1,0,0,0,0|2,0,0]=4 9743 B11R0.81 C=CCNC(C)CCCCCC 2230a_100000210919_100000210623 [1,1,0,0,0,0|2,0,0]=4 9744 B11R0.81 C=CCNC(C)CCCCCC 2230a_100020586998_100011215978 [1,1,0,0,0,0|2,0,0]=4 9745 B11R0.81 C=CCNC(C)CCCCCC 270004a_100020586998_100000210826 [1,1,0,0,0,0|2,0,0]=4 9746 B11R0.81 C=CCNC(C)CCCCCC 34a_100000210919_100015514636 [1,1,0,0,0,0|2,0,0]=4 9747 B11R0.81 C=CCOC(C)CCCCCC 34a_100000210265_100015514636 [1,1,0,0,0,0|2,0,0]=4 9748 B11R0.81 C=CCOC(C)CCCCCC 34a_200000210373_100011215978 [1,1,0,0,0,0|2,0,0]=4 9749 B11R0.81 C=CCOC(C)CCCCCC 7a_100000210265_100015514636 [1,1,0,0,0,0|2,0,0]=4 9750 B11R0.81 C=CCSC(C)CCCCCC 62a_100000210623_100011215978 [1,1,0,0,0,0|2,0,0]=4 9751 B11R0.81 C=CCSC(C)CCCCCC 62a_100011215978_100000210623 [1,1,0,0,0,0|2,0,0]=4 9752 B11R0.81 CC(CCCCl)OCCCC=O 7a_200000718107_200011292268 [1,1,0,0,0,0|2,0,0]=4 9753 B11R0.81 CCCCC(=O)CCCCCO 1458a_100000210183_100000746330 [1,1,0,0,0,0|0,0,2]=4 9754 B11R0.81 CCCCC(=O)CCCCCO 1458a_100102619762_100000210211 [1,1,0,0,0,0|0,0,2]=4 9755 B11R0.81 CCCCC(C)CCCCOC 34a_200011021034_200000210301 [1,1,0,0,0,0|2,0,0]=4 9756 B11R0.81 CCCCC(C)CCCCOC 7a_200011021034_200000210301 [1,1,0,0,0,0|2,0,0]=4 9757 B11R0.81 CCCCC(C)CCCCO[13CH3] 34a_200011021034_200025704644 [1,1,0,0,0,0|2,0,0]=4 9758 B11R0.81 CCCCC(C)CCCCO[13CH3] 7a_200011021034_200025704644 [1,1,0,0,0,0|2,0,0]=4 9759 B11R0.81 CCCCC(C)COCCCO 34a_100011995851_100000230001 [1,1,0,0,0,0|1,0,1]=4 9760 B11R0.81 CCCCC(C)COCCCO 7a_100011995851_100011215043 [1,1,0,0,0,0|1,0,1]=4 9761 B11R0.81 CCCCC(C)NCCCC=O 2230a_100000126638_200011292268 [1,1,0,0,0,0|1,0,0]=3 9762 B11R0.81 CCCCC(C)NCCCCO 2230a_100000126638_100000210776 [1,1,0,0,0,0|1,0,1]=4 9763 B11R0.81 CCCCC(C)NCCCCO 2230a_100000750430_200011215066 [1,1,0,0,0,0|1,0,1]=4 9764 B11R0.81 CCCCC(C)NCCCCO 270004a_100000750430_100000210087 [1,1,0,0,0,0|1,0,1]=4 9765 B11R0.81 CCCCC(C)NCCCCO 34a_100000750430_200011215066 [1,1,0,0,0,0|1,0,1]=4 9766 B11R0.81 CCCCC(C)OCCCC=O 7a_100000687866_200011292268 [1,1,0,0,0,0|1,0,0]=3 9767 B11R0.81 CCCCC(C)OCCCCO 34a_100000687866_100011216708 [1,1,0,0,0,0|1,0,1]=4 9768 B11R0.81 CCCCC(C)OCCCCO 7a_100000687866_100000210776 [1,1,0,0,0,0|1,0,1]=4 9769 B11R0.81 CCCCC(C)SCCCC=O 62a_200011215066_200011292268 [1,1,0,0,0,0|1,0,0]=3 9770 B11R0.81 CCCCC(C)SCCCC=O 62a_200011292268_200011215066 [1,1,0,0,0,0|1,0,0]=3 9771 B11R0.81 CCCCC(C)SCCCCO 62a_100000210776_200011215066 [1,1,0,0,0,0|1,0,1]=4 9772 B11R0.81 CCCCC(C)SCCCCO 62a_200011215066_100000210776 [1,1,0,0,0,0|1,0,1]=4 9773 B11R0.81 CCCCCCC(=O)CCCO 1458a_100102632555_100011215043 [1,1,0,0,0,0|0,0,2]=4 9774 B11R0.81 CCCCCCC(C)CCOC 34a_200011024964_200000210301 [1,1,0,0,0,0|2,0,0]=4 9775 B11R0.81 CCCCCCC(C)CCOC 7a_200011024964_200000210301 [1,1,0,0,0,0|2,0,0]=4 9776 B11R0.81 CCCCCCC(C)CCO[13CH3] 34a_200011024964_200025704644 [1,1,0,0,0,0|2,0,0]=4 9777 B11R0.81 CCCCCCC(C)CCO[13CH3] 7a_200011024964_200025704644 [1,1,0,0,0,0|2,0,0]=4 9778 B11R0.81 CCCCCCC(C)NCC=O 2230a_100000210919_200015260668 [1,1,0,0,0,0|1,0,0]=3 9779 B11R0.81 CCCCCCC(C)NCC=O 34a_100000210919_200009817547 [1,1,0,0,0,0|1,0,0]=3 9780 B11R0.81 CCCCCCC(C)NCCO 2230a_100000210919_100000211926 [1,1,0,0,0,0|1,0,1]=4 9781 B11R0.81 CCCCCCC(C)NCCO 2230a_100016997473_100011215978 [1,1,0,0,0,0|1,0,1]=4 9782 B11R0.81 CCCCCCC(C)NCCO 270004a_100000210304_100000210826 [1,1,0,0,0,0|1,0,1]=4 9783 B11R0.81 CCCCCCC(C)NCCO 34a_100000210919_100000211926 [1,1,0,0,0,0|1,0,1]=4 9784 B11R0.81 CCCCCCC(C)NCCO 34a_100016990907_100011215978 [1,1,0,0,0,0|1,0,1]=4 9785 B11R0.81 CCCCCCC(C)OCC=O 34a_100000210265_200009817547 [1,1,0,0,0,0|1,0,0]=3 9786 B11R0.81 CCCCCCC(C)OCC=O 7a_100000210265_200015260668 [1,1,0,0,0,0|1,0,0]=3 9787 B11R0.81 CCCCCCC(C)OCCO 34a_100000210265_100000211926 [1,1,0,0,0,0|1,0,1]=4 9788 B11R0.81 CCCCCCC(C)OCCO 7a_100000210265_100000211926 [1,1,0,0,0,0|1,0,1]=4 9789 B11R0.81 CCCCCCC(C)SCC=O 62a_100011215978_200015260668 [1,1,0,0,0,0|1,0,0]=3 9790 B11R0.81 CCCCCCC(C)SCC=O 62a_200015260668_100011215978 [1,1,0,0,0,0|1,0,0]=3 9791 B11R0.81 CCCCCCC(C)SCCO 62a_100000211926_100011215978 [1,1,0,0,0,0|1,0,1]=4 9792 B11R0.81 CCCCCCC(C)SCCO 62a_100011215978_100000211926 [1,1,0,0,0,0|1,0,1]=4 9793 B11R0.81 CCCCCCN(C)CCCO 2230a_100000213112_100000210314 [1,1,0,0,0,0|1,0,1]=4 9794 B11R0.81 CCCCCCN(C)CCCO 2230a_106256046315_100000230001 [1,1,0,0,0,0|1,0,1]=4 9795 B11R0.81 CCCCCCN(C)CCCO 269982a_100000213112_100000210757 [1,1,0,0,0,0|1,0,1]=4 9796 B11R0.81 CCCCCCN(C)CCCO 269982a_106256046315_100011215043 [1,1,0,0,0,0|1,0,1]=4 9797 B11R0.81 CCCCN(C)CCCCC=O 2230a_100000207549_100000139335 [1,1,0,0,0,0|1,0,0]=3 9798 B11R0.81 CCCCN(C)CCCCC=O 269982a_100000207549_100000139335 [1,1,0,0,0,0|1,0,0]=3 9799 B11R0.81 CCCCN(C)CCCCCO 2230a_100000207549_100000746330 [1,1,0,0,0,0|1,0,1]=4 9800 B11R0.81 CCCCN(C)CCCCCO 2230a_100000722520_100000210211 [1,1,0,0,0,0|1,0,1]=4 9801 B11R0.81 CCCCN(C)CCCCCO 269982a_100000207549_100000746330 [1,1,0,0,0,0|1,0,1]=4 9802 B11R0.81 CCCCN(C)CCCCCO 269982a_100000722520_100000210211 [1,1,0,0,0,0|1,0,1]=4 9803 B11R0.81 CCCCNC[C@H](C)CCCO 2230a_100160569302_100000210211 [1,1,0,0,0,0|1,0,1]=4 9804 B11R0.81 CCCCNC[C@H](C)CCCO 34a_100160569302_100000210210 [1,1,0,0,0,0|1,0,1]=4 9805 B11R0.81 CCCCOCC(C)OCC=O 34a_100011217071_200009817547 [1,1,0,0,0,0|2,0,0]=4 9806 B11R0.81 CCCCOCC(C)OCC=O 7a_100011217071_200015260668 [1,1,0,0,0,0|2,0,0]=4 9807 B11R0.81 CCCC[C@H](N)COCCCO 34a_100011934283_100000230001 [1,1,0,0,0,0|1,0,1]=4 9808 B11R0.81 CCOCC(C)OCCCC=O 7a_100000718985_200011292268 [1,1,0,0,0,0|2,0,0]=4 9809 B11R0.81 CN(CCCO)CCCCC=O 2230a_100000213112_100000139335 [1,1,0,0,0,0|2,0,0]=4 9810 B11R0.81 CN(CCCO)CCCCC=O 269982a_100000213112_100000139335 [1,1,0,0,0,0|2,0,0]=4 9811 B11R0.81 COCCN(C)CCCCC=O 2230a_100000743101_100000139335 [1,1,0,0,0,0|2,0,0]=4 9812 B11R0.81 COCCN(C)CCCCC=O 269982a_100000743101_100000139335 [1,1,0,0,0,0|2,0,0]=4 9813 B11R0.81 CSCCN(C)CCCCC=O 2230a_100000686725_100000139335 [1,1,0,0,0,0|2,0,0]=4 9814 B11R0.81 CSCCN(C)CCCCC=O 269982a_100000686725_100000139335 [1,1,0,0,0,0|2,0,0]=4 9815 B11R0.140 C=CCCCC(=O)CCCCC 1458a_100000212188_100000757094 [1,1,0,0,0,0|1,0,1]=4 9816 B11R0.140 C=CCCCC(=O)CCCCC 1458a_100000766728_100000210326 [1,1,0,0,0,0|1,0,1]=4 9817 B11R0.140 C=CCCCN(C)CCCCC 2230a_100000223495_100011713584 [1,1,0,0,0,0|2,0,0]=4 9818 B11R0.140 C=CCCCN(C)CCCCC 269982a_100000223495_100000757094 [1,1,0,0,0,0|2,0,0]=4 9819 B11R0.140 C=CCCNC(C)CCCCC 2230a_100000211957_100000754431 [1,1,0,0,0,0|2,0,0]=4 9820 B11R0.140 C=CCCNC(C)CCCCC 2230a_100015191253_200011218191 [1,1,0,0,0,0|2,0,0]=4 9821 B11R0.140 C=CCCNC(C)CCCCC 270004a_100015191253_100000211708 [1,1,0,0,0,0|2,0,0]=4 9822 B11R0.140 C=CCCOC(C)CCCCC 34a_100011205117_200011218191 [1,1,0,0,0,0|2,0,0]=4 9823 B11R0.140 C=CCCOC(C)CCCCC 34a_100011215632_100000754431 [1,1,0,0,0,0|2,0,0]=4 9824 B11R0.140 C=CCCOC(C)CCCCC 7a_100011215632_100000754431 [1,1,0,0,0,0|2,0,0]=4 9825 B11R0.140 C=CCCSC(C)CCCCC 62a_100000754431_200011218191 [1,1,0,0,0,0|2,0,0]=4 9826 B11R0.140 C=CCCSC(C)CCCCC 62a_200011218191_100000754431 [1,1,0,0,0,0|2,0,0]=4 9827 B11R0.140 CCCCCC(=O)CCCCO 1458a_100000212188_100000210776 [1,1,0,0,0,0|0,0,2]=4 9828 B11R0.140 CCCCCC(=O)CCCCO 1458a_100000695505_100000210326 [1,1,0,0,0,0|0,0,2]=4 9829 B11R0.140 CCCCCC(=O)CSCC=O 62a_200012276598_200015260668 [1,1,0,0,0,0|1,0,1]=4 9830 B11R0.140 CCCCCC(=O)CSCC=O 62a_200015260668_200012276598 [1,1,0,0,0,0|1,0,1]=4 9831 B11R0.140 CCCCCC(C)NCCCO 2230a_100000211957_100000230001 [1,1,0,0,0,0|1,0,1]=4 9832 B11R0.140 CCCCCC(C)NCCCO 270004a_100000182051_100000211708 [1,1,0,0,0,0|1,0,1]=4 9833 B11R0.140 CCCCCC(C)OCCCO 34a_100011215632_100000230001 [1,1,0,0,0,0|1,0,1]=4 9834 B11R0.140 CCCCCC(C)OCCCO 7a_100011215632_100011215043 [1,1,0,0,0,0|1,0,1]=4 9835 B11R0.140 CCCCCC(C)SCCCO 62a_100011215043_200011218191 [1,1,0,0,0,0|1,0,1]=4 9836 B11R0.140 CCCCCC(C)SCCCO 62a_200011218191_100011215043 [1,1,0,0,0,0|1,0,1]=4 9837 B11R0.140 CCCCCN(C)CCCC=O 2230a_100000223495_200011292268 [1,1,0,0,0,0|1,0,0]=3 9838 B11R0.140 CCCCCN(C)CCCC=O 269982a_100000223495_200011292268 [1,1,0,0,0,0|1,0,0]=3 9839 B11R0.140 CCCCCN(C)CCCCO 2230a_100000223495_100000210776 [1,1,0,0,0,0|1,0,1]=4 9840 B11R0.140 CCCCCN(C)CCCCO 2230a_100000717598_100000210326 [1,1,0,0,0,0|1,0,1]=4 9841 B11R0.140 CCCCCN(C)CCCCO 269982a_100000223495_100000210776 [1,1,0,0,0,0|1,0,1]=4 9842 B11R0.140 CCCCCN(C)CCCCO 269982a_100000717598_100000210215 [1,1,0,0,0,0|1,0,1]=4 9843 B11R0.140 CN(CCCC=O)CCCCO 2230a_100000717598_200011292268 [1,1,0,0,0,0|2,0,0]=4 9844 B11R0.140 CN(CCCC=O)CCCCO 269982a_100000717598_200011292268 [1,1,0,0,0,0|2,0,0]=4 9845 B11R0.140 COCCCN(C)CCCC=O 2230a_100000224831_200011292268 [1,1,0,0,0,0|2,0,0]=4 9846 B11R0.140 COCCCN(C)CCCC=O 269982a_100000224831_200011292268 [1,1,0,0,0,0|2,0,0]=4 9847 B11R0.140 NCCCC[C@H](N)COCC=O 34a_100016993712_200009817547 [1,1,0,0,0,0|2,0,0]=4 9848 B13R0.62 CCCCCCCN(CC)CC(=O)N 2230a_100000228213_100000747473 [0,2,0,0,0,0|2,0,0]=4 9849 B13R0.62 CCCCCCCN(CC)CC(=O)N 269982a_100000228213_100000187820 [0,2,0,0,0,0|2,0,0]=4 9850 B13R0.62 CCCCCCCN(CC)CC(=O)O 269956a_100000746405_100000210614 [0,2,0,0,0,0|1,0,0]=3 9851 B13R0.62 CCCCCCCN(CC)CC(=O)[O-] 269982a_100000228213_100020667443 [0,2,0,0,0,0|1,0,1]=4 9852 B13R0.62 CCCCCCCN(CO)CC(=O)[O-] 269956a_100016989150_100000210614 [0,2,0,0,0,0|1,0,1]=4 9853 B13R0.62 CCCCCCN[C@H](CC)CC(=O)O 269956a_100016995926_100000210757 [0,2,0,0,0,0|1,0,0]=3 9854 B13R0.62 CCCCCCN[C@H](CO)CC(=O)O 269956a_100009816507_100000210757 [0,2,0,0,0,0|1,0,0]=3 9855 B13R0.62 CCCCOCCN(CC)CC(=O)O 269956a_100000746405_100000743108 [0,2,0,0,0,0|2,0,0]=4 9856 B13R0.62 CCCCOCN[C@H](CC)CC(=O)O 269956a_100016995926_100011995733 [0,2,0,0,0,0|2,0,0]=4 9857 B13R0.62 CCCCOCN[C@H](CO)CC(=O)O 269956a_100009816507_100011995733 [0,2,0,0,0,0|2,0,0]=4 9858 B13R0.62 CCCOCCN[C@H](CC)CC(=O)O 269956a_100016995926_100011215938 [0,2,0,0,0,0|2,0,0]=4 9859 B13R0.62 CCCOCCN[C@H](CO)CC(=O)O 269956a_100009816507_100011215938 [0,2,0,0,0,0|2,0,0]=4 9860 B13R0.62 CCN(CCCCCCF)CC(=O)O 269956a_100000746405_100015922095 [0,2,0,0,0,0|2,0,0]=4 9861 B13R0.62 CCN(CCCCCCO)CC(=O)O 269956a_100000746405_100000766143 [0,2,0,0,0,0|2,0,0]=4 9862 B13R0.62 CCOCCCN[C@H](CC)CC(=O)O 269956a_100016995926_100012232248 [0,2,0,0,0,0|2,0,0]=4 9863 B13R0.62 CCOCCCN[C@H](CO)CC(=O)O 269956a_100009816507_100012232248 [0,2,0,0,0,0|2,0,0]=4 9864 B13R0.62 CC[C@H](CC(=O)O)NCCCCCF 269956a_100016995926_100000729378 [0,2,0,0,0,0|2,0,0]=4 9865 B13R0.62 CC[C@H](CC(=O)O)NCCCCCO 269956a_100016995926_100000746330 [0,2,0,0,0,0|2,0,0]=4 9866 B13R0.62 CC[C@H](CC(=O)O)NCCCCOC 269956a_100016995926_100000730899 [0,2,0,0,0,0|2,0,0]=4 9867 B13R0.62 COCCCCN[C@H](CO)CC(=O)O 269956a_100009816507_100000730899 [0,2,0,0,0,0|2,0,0]=4 9868 B13R0.62 O=C(O)C[C@@H](CO)NCCCCCF 269956a_100009816507_100000729378 [0,2,0,0,0,0|2,0,0]=4 9869 B13R0.62 O=C(O)C[C@@H](CO)NCCCCCO 269956a_100009816507_100000746330 [0,2,0,0,0,0|2,0,0]=4 9870 B13R0.115 CCCCC(C)CCC(=O)CC(=O)N 1458a_100000033779_100000187820 [0,2,0,0,0,0|1,0,1]=4 9871 B13R0.115 CCCCC(C)CCC(=O)CC(=O)[O-] 1458a_100000033779_100020667443 [0,2,0,0,0,0|0,0,2]=4 9872 B13R0.115 CCCCC(C)NCC(O)CC(=O)O 269956a_100011218706_200011215066 [0,2,0,0,0,0|1,0,0]=3 9873 B13R0.178 CC(=O)CCCCOC(C)CC(C)C 34a_100000211805_100009817362 [0,2,0,0,0,0|2,0,0]=4 9874 B13R0.178 CC(=O)CCCCOC(C)CC(C)C 7a_100000211805_100000735457 [0,2,0,0,0,0|2,0,0]=4 9875 B13R0.178 CC(=O)CCCCSC(C)CC(C)C 62a_100000731052_100000735457 [0,2,0,0,0,0|2,0,0]=4 9876 B13R0.178 CC(=O)CCCCSC(C)CC(C)C 62a_100000735457_100000731052 [0,2,0,0,0,0|2,0,0]=4 9877 B13R0.178 CC(=O)CCCNCC(O)CC(=O)O 269956a_100011218706_100011215641 [0,2,0,0,0,0|1,0,1]=4 9878 B13R0.178 CC(=O)CCCOC[C@@H](N)CC(C)C 34a_100011830311_100000685027 [0,2,0,0,0,0|2,0,0]=4 9879 B13R0.178 CC(C)CC(=O)CCCCCC(=O)N 1458a_100000210554_100009817443 [0,2,0,0,0,0|1,0,1]=4 9880 B13R0.178 CC(C)CC(C)NCCCCC(=O)N 34a_100000696515_100000731052 [0,2,0,0,0,0|2,0,0]=4 9881 B13R0.178 CC(C)CC(C)NCCOCC(=O)O 269956a_100000700818_100000731052 [0,2,0,0,0,0|2,0,0]=4 9882 B13R0.178 CC(C)CC(C)OCCCCC(=O)N 34a_100012022536_100000731052 [0,2,0,0,0,0|2,0,0]=4 9883 B13R0.178 CC(C)CC(C)OCCCCC(=O)N 7a_100012022536_100000731052 [0,2,0,0,0,0|2,0,0]=4 9884 B13R0.178 CC(C)CCCCCC(=O)CC(=O)N 1458a_100000766313_100000187820 [0,2,0,0,0,0|1,0,1]=4 9885 B13R0.178 CC(C)CCCCCC(=O)CC(=O)N 1458a_100134613110_100000210682 [0,2,0,0,0,0|1,0,1]=4 9886 B13R0.178 CC(C)CCCCCC(=O)CC(=O)[O-] 1458a_100000766313_100020667443 [0,2,0,0,0,0|0,0,2]=4 9887 B13R0.178 CC(C)CCCCCN(C)CC(=O)N 2230a_100000739694_100000210682 [0,2,0,0,0,0|2,0,0]=4 9888 B13R0.178 CC(C)CCCCCN(C)CC(=O)O 269956a_100000746989_100000210682 [0,2,0,0,0,0|1,0,0]=3 9889 B13R0.178 CC(C)CCCNCC(O)CC(=O)O 269956a_100011218706_100011214892 [0,2,0,0,0,0|1,0,0]=3 9890 B13R0.178 CC(C)CN(C)CCCCCC(=O)N 2230a_100000747067_100009817443 [0,2,0,0,0,0|2,0,0]=4 9891 B13R0.178 CC(C)CN(C)CCCCCC(=O)N 269982a_100000747067_100009817443 [0,2,0,0,0,0|2,0,0]=4 9892 B13R0.178 CC(C)C[C@H](N)CCOCCC(=O)N 34a_100161151251_100000731001 [0,2,0,0,0,0|2,0,0]=4 9893 B13R0.178 CC(C)C[C@H](N)COCCCC(=O)N 34a_100011830311_100102525003 [0,2,0,0,0,0|2,0,0]=4 9894 B13R0.178 CC(C)OCCNCC(O)CC(=O)O 269956a_100011218706_100000211751 [0,2,0,0,0,0|2,0,0]=4 9895 B13R0.178 CC(C)SCCNCC(O)CC(=O)O 269956a_100011218706_100000730970 [0,2,0,0,0,0|2,0,0]=4 9896 B13R0.178 CC(O)CCCNCC(O)CC(=O)O 269956a_100011218706_200000718107 [0,2,0,0,0,0|1,0,0]=3 9897 B13R0.178 CC(O)CN(C)CCCCCC(=O)N 2230a_100000227577_100009817443 [0,2,0,0,0,0|2,0,0]=4 9898 B13R0.178 CC(O)CN(C)CCCCCC(=O)N 269982a_100000227577_100009817443 [0,2,0,0,0,0|2,0,0]=4 9899 B13R0.178 CN(C)CCCNCC(O)CC(=O)O 269956a_100011218706_100000757444 [0,2,0,0,0,0|2,0,0]=4 9900 B13R0.178 C[C@@H](O)CC(=O)CCCCCC(=O)N 1458a_100011933948_100009817443 [0,2,0,0,0,0|1,0,1]=4 9901 B13R0.274 CCCCCCCC(=O)CC(=O)CC 1458a_100000211969_100000747405 [0,2,0,0,0,0|1,0,1]=4 9902 B13R0.274 CCCCCCCC(=O)CC(=O)NC 1458a_100000211969_100000183359 [0,2,0,0,0,0|1,0,1]=4 9903 B13R0.274 CCCCCCCC(=O)CC(=O)OC 1458a_100000211351_100000210614 [0,2,0,0,0,0|0,0,1]=3 9904 B13R0.274 CCCCCCCC(=O)CC(=O)OC 1458a_100000211969_100000747449 [0,2,0,0,0,0|0,0,1]=3 9905 B13R0.274 CCCCCCCC(O)CC(=O)CC 1458a_200011667753_100000210202 [0,2,0,0,0,0|1,0,0]=3 9906 B13R0.274 CCCCCCCC(O)CC(=O)CF 1458a_200011667753_100015361967 [0,2,0,0,0,0|1,0,0]=3 9907 B13R0.274 CCCCCCCC(O)CC(=O)NC 1626a_100102657272_200011667753 [0,2,0,0,0,0|1,0,0]=3 9908 B13R0.274 CCCCCCCC(O)CC(=O)NC 240690a_100102657272_200011667753 [0,2,0,0,0,0|1,0,0]=3 9909 B13R0.274 CCCCCCCN(C)CC(=O)CC 269982a_100000228206_100000747405 [0,2,0,0,0,0|2,0,0]=4 9910 B13R0.274 CCCCCCCN(C)CC(=O)NC 2230a_100000189611_100000210681 [0,2,0,0,0,0|2,0,0]=4 9911 B13R0.274 CCCCCCCN(C)CC(=O)NC 2230a_100000228206_100000183359 [0,2,0,0,0,0|2,0,0]=4 9912 B13R0.274 CCCCCCCN(C)CC(=O)NC 269982a_100000228206_100000183359 [0,2,0,0,0,0|2,0,0]=4 9913 B13R0.274 CCCCCCCN(C)CC(=O)OC 2230a_100000198492_100000210681 [0,2,0,0,0,0|1,0,0]=3 9914 B13R0.274 CCCCCCCN(C)CC(=O)OC 2230a_100000228206_100000747449 [0,2,0,0,0,0|1,0,0]=3 9915 B13R0.274 CCCCCCCN(C)CC(=O)OC 269982a_100000228206_100000747449 [0,2,0,0,0,0|1,0,0]=3 9916 B13R0.274 CCCCCCNC(=O)CC(=O)CO 1458a_100000210174_100000230325 [0,2,0,0,0,0|1,0,1]=4 9917 B13R0.274 CCCCCCNC(=O)CC(=O)OC 240690a_100000210581_100000211351 [0,2,0,0,0,0|1,0,1]=4 9918 B13R0.274 CCCCCCNC(C)CC(=O)OC 2230a_100000210581_100009817358 [0,2,0,0,0,0|1,0,0]=3 9919 B13R0.274 CCCCCCOC(C)CC(=O)OC 34a_100000210259_100009817358 [0,2,0,0,0,0|1,0,0]=3 9920 B13R0.274 CCCCCCOC(C)CC(=O)OC 7a_100000210259_100009817358 [0,2,0,0,0,0|1,0,0]=3 9921 B13R0.274 CCCCCCSC(C)CC(=O)OC 62a_100000210314_100009817358 [0,2,0,0,0,0|1,0,0]=3 9922 B13R0.274 CCCCCCSC(C)CC(=O)OC 62a_100009817358_100000210757 [0,2,0,0,0,0|1,0,0]=3 9923 B13R0.274 CCCCCOC[C@H](O)CC(=O)OC 34a_100000210253_100000754131 [0,2,0,0,0,0|1,0,0]=3 9924 B13R0.274 CCCCCOC[C@H](O)CC(=O)OC 7a_100000210253_100000754131 [0,2,0,0,0,0|1,0,0]=3 9925 B13R0.274 CCCCCSCC(=O)CC(=O)OC 62a_100000210326_100000210525 [0,2,0,0,0,0|1,0,1]=4 9926 B13R0.274 CCCCCSCC(=O)CC(=O)OC 62a_100000210525_100000210326 [0,2,0,0,0,0|1,0,1]=4 9927 B13R0.274 CCCCCSC[C@H](O)CC(=O)OC 62a_100000210326_100000754131 [0,2,0,0,0,0|1,0,0]=3 9928 B13R0.274 CCCCCSC[C@H](O)CC(=O)OC 62a_100000754131_100000210326 [0,2,0,0,0,0|1,0,0]=3 9929 B13R0.274 CCCCOCCC(=O)CC(=O)OC 1458a_100000211351_100000743108 [0,2,0,0,0,0|1,0,1]=4 9930 B13R0.274 CCCCOCCN(C)CC(=O)OC 2230a_100000198492_100000743108 [0,2,0,0,0,0|2,0,0]=4 9931 B13R0.274 CCCCOCSC(C)CC(=O)OC 62a_100009817358_100011995733 [0,2,0,0,0,0|2,0,0]=4 9932 B13R0.274 CCCCOCSC(C)CC(=O)OC 62a_100011995733_100009817358 [0,2,0,0,0,0|2,0,0]=4 9933 B13R0.274 CCCOCCNC(C)CC(=O)OC 2230a_100161115042_100009817358 [0,2,0,0,0,0|2,0,0]=4 9934 B13R0.274 CCCOCCNC(C)CC(=O)OC 34a_100161115042_100009817358 [0,2,0,0,0,0|2,0,0]=4 9935 B13R0.274 CCCOCCOC(C)CC(=O)OC 34a_100000752267_100009817358 [0,2,0,0,0,0|2,0,0]=4 9936 B13R0.274 CCCOCCOC(C)CC(=O)OC 7a_100000752267_100009817358 [0,2,0,0,0,0|2,0,0]=4 9937 B13R0.274 CCCOCCSC(C)CC(=O)OC 62a_100009817358_100011215938 [0,2,0,0,0,0|2,0,0]=4 9938 B13R0.274 CCCOCCSC(C)CC(=O)OC 62a_100011215938_100009817358 [0,2,0,0,0,0|2,0,0]=4 9939 B13R0.274 CCCSCCNC(C)CC(=O)OC 2230a_100020603323_100009817358 [0,2,0,0,0,0|2,0,0]=4 9940 B13R0.274 CCCSCCOC(C)CC(=O)OC 34a_200000230433_100009817358 [0,2,0,0,0,0|2,0,0]=4 9941 B13R0.274 CCCSCCOC(C)CC(=O)OC 7a_200000230433_100009817358 [0,2,0,0,0,0|2,0,0]=4 9942 B13R0.274 CCOCCCNC(C)CC(=O)OC 2230a_100000210961_100009817358 [0,2,0,0,0,0|2,0,0]=4 9943 B13R0.274 CCOCCCNC(C)CC(=O)OC 34a_100000210961_100009817358 [0,2,0,0,0,0|2,0,0]=4 9944 B13R0.274 CCOCCCOC(C)CC(=O)OC 34a_100000757476_100009817358 [0,2,0,0,0,0|2,0,0]=4 9945 B13R0.274 CCOCCCOC(C)CC(=O)OC 7a_100000757476_100009817358 [0,2,0,0,0,0|2,0,0]=4 9946 B13R0.274 CCOCCCSC(C)CC(=O)OC 62a_100009817358_100012232248 [0,2,0,0,0,0|2,0,0]=4 9947 B13R0.274 CCOCCCSC(C)CC(=O)OC 62a_100012232248_100009817358 [0,2,0,0,0,0|2,0,0]=4 9948 B13R0.274 CCOCCNC[C@H](O)CC(=O)OC 34a_102516460346_100000754131 [0,2,0,0,0,0|2,0,0]=4 9949 B13R0.274 CCOCCOC[C@H](O)CC(=O)OC 34a_100000210136_100000754131 [0,2,0,0,0,0|2,0,0]=4 9950 B13R0.274 CCOCCOC[C@H](O)CC(=O)OC 7a_100000210136_100000754131 [0,2,0,0,0,0|2,0,0]=4 9951 B13R0.274 CCOCCSC[C@H](O)CC(=O)OC 62a_100000210147_100000754131 [0,2,0,0,0,0|2,0,0]=4 9952 B13R0.274 CCOCCSC[C@H](O)CC(=O)OC 62a_100000754131_100011215890 [0,2,0,0,0,0|2,0,0]=4 9953 B13R0.274 CCSCCCOC(C)CC(=O)OC 34a_100011216438_100009817358 [0,2,0,0,0,0|2,0,0]=4 9954 B13R0.274 CCSCCCOC(C)CC(=O)OC 7a_100011216438_100009817358 [0,2,0,0,0,0|2,0,0]=4 9955 B13R0.274 CCSCCOC[C@H](O)CC(=O)OC 34a_100000212035_100000754131 [0,2,0,0,0,0|2,0,0]=4 9956 B13R0.274 CCSCCOC[C@H](O)CC(=O)OC 7a_100000212035_100000754131 [0,2,0,0,0,0|2,0,0]=4 9957 B13R0.274 CCSCCSC[C@H](O)CC(=O)OC 62a_100000754131_100000757381 [0,2,0,0,0,0|2,0,0]=4 9958 B13R0.274 CCSCCSC[C@H](O)CC(=O)OC 62a_100000757381_100000754131 [0,2,0,0,0,0|2,0,0]=4 9959 B13R0.274 CNCCCOC[C@H](O)CC(=O)OC 34a_100000213112_100000754131 [0,2,0,0,0,0|2,0,0]=4 9960 B13R0.274 COC(=O)CC(=O)CCCCCCF 1458a_100000211351_100015922095 [0,2,0,0,0,0|1,0,1]=4 9961 B13R0.274 COC(=O)CC(=O)CCCCCCO 1458a_100000211351_100000766143 [0,2,0,0,0,0|1,0,1]=4 9962 B13R0.274 COC(=O)CC(=O)CCCCCCO 1458a_100011996774_100000747449 [0,2,0,0,0,0|1,0,1]=4 9963 B13R0.274 COC(=O)CC(C)NCCCCCO 2230a_100000762737_100009817358 [0,2,0,0,0,0|2,0,0]=4 9964 B13R0.274 COC(=O)CC(C)NCCCCCO 34a_100000762737_100009817358 [0,2,0,0,0,0|2,0,0]=4 9965 B13R0.274 COC(=O)CC(C)OCCCCCBr 34a_100000746331_100009817358 [0,2,0,0,0,0|2,0,0]=4 9966 B13R0.274 COC(=O)CC(C)OCCCCCBr 7a_100000746331_100009817358 [0,2,0,0,0,0|2,0,0]=4 9967 B13R0.274 COC(=O)CC(C)OCCCCCCl 34a_100000746330_100009817358 [0,2,0,0,0,0|2,0,0]=4 9968 B13R0.274 COC(=O)CC(C)OCCCCCCl 7a_100000746330_100009817358 [0,2,0,0,0,0|2,0,0]=4 9969 B13R0.274 COC(=O)CC(C)OCCCCCI 34a_200012148887_100009817358 [0,2,0,0,0,0|2,0,0]=4 9970 B13R0.274 COC(=O)CC(C)OCCCCCI 7a_200012148887_100009817358 [0,2,0,0,0,0|2,0,0]=4 9971 B13R0.274 COC(=O)CC(C)OCCCCCN 34a_100000762737_100009817358 [0,2,0,0,0,0|2,0,0]=4 9972 B13R0.274 COC(=O)CC(C)OCCCCSC 34a_100011217163_100009817358 [0,2,0,0,0,0|2,0,0]=4 9973 B13R0.274 COC(=O)CC(C)OCCCCSC 7a_100011217163_100009817358 [0,2,0,0,0,0|2,0,0]=4 9974 B13R0.274 COC(=O)CC(C)SCCCCCF 62a_100000729378_100009817358 [0,2,0,0,0,0|2,0,0]=4 9975 B13R0.274 COC(=O)CC(C)SCCCCCF 62a_100009817358_100000729378 [0,2,0,0,0,0|2,0,0]=4 9976 B13R0.274 COC(=O)CC(C)SCCCCCO 62a_100000746330_100009817358 [0,2,0,0,0,0|2,0,0]=4 9977 B13R0.274 COC(=O)CC(C)SCCCCCO 62a_100009817358_100000746330 [0,2,0,0,0,0|2,0,0]=4 9978 B13R0.274 COC(=O)CN(C)CCCCCCF 2230a_100000198492_100015922095 [0,2,0,0,0,0|2,0,0]=4 9979 B13R0.274 COC(=O)CN(C)CCCCCCO 2230a_100000198492_100000766143 [0,2,0,0,0,0|2,0,0]=4 9980 B13R0.274 COC(=O)C[C@@H](O)CNCCCCO 34a_100000750430_100000754131 [0,2,0,0,0,0|2,0,0]=4 9981 B13R0.274 COC(=O)C[C@@H](O)COCCCCBr 34a_100011216708_100000754131 [0,2,0,0,0,0|2,0,0]=4 9982 B13R0.274 COC(=O)C[C@@H](O)COCCCCCl 34a_100000210776_100000754131 [0,2,0,0,0,0|2,0,0]=4 9983 B13R0.274 COC(=O)C[C@@H](O)COCCCCCl 7a_100000210776_100000754131 [0,2,0,0,0,0|2,0,0]=4 9984 B13R0.274 COC(=O)C[C@@H](O)COCCCCF 34a_100011995726_100000754131 [0,2,0,0,0,0|2,0,0]=4 9985 B13R0.274 COC(=O)C[C@@H](O)COCCCCF 7a_100011995726_100000754131 [0,2,0,0,0,0|2,0,0]=4 9986 B13R0.274 COC(=O)C[C@@H](O)COCCCCI 34a_200012148704_100000754131 [0,2,0,0,0,0|2,0,0]=4 9987 B13R0.274 COC(=O)C[C@@H](O)COCCCCN 34a_100000750430_100000754131 [0,2,0,0,0,0|2,0,0]=4 9988 B13R0.274 COC(=O)C[C@@H](O)COCCCSC 34a_100000690336_100000754131 [0,2,0,0,0,0|2,0,0]=4 9989 B13R0.274 COC(=O)C[C@@H](O)COCCCSC 7a_100000690336_100000754131 [0,2,0,0,0,0|2,0,0]=4 9990 B13R0.274 COC(=O)C[C@@H](O)CSCCCCF 62a_100000729493_100000754131 [0,2,0,0,0,0|2,0,0]=4 9991 B13R0.274 COC(=O)C[C@@H](O)CSCCCCF 62a_100000754131_100000729493 [0,2,0,0,0,0|2,0,0]=4 9992 B13R0.274 COC(=O)C[C@@H](O)CSCCCCO 62a_100000210776_100000754131 [0,2,0,0,0,0|2,0,0]=4 9993 B13R0.274 COC(=O)C[C@@H](O)CSCCCCO 62a_100000754131_100000210776 [0,2,0,0,0,0|2,0,0]=4 9994 B13R0.274 COCCCCCC(=O)CC(=O)OC 1458a_100011935119_100000747449 [0,2,0,0,0,0|1,0,1]=4 9995 B13R0.274 COCCCCOC(C)CC(=O)OC 34a_100000740925_100009817358 [0,2,0,0,0,0|2,0,0]=4 9996 B13R0.274 COCCCCSC(C)CC(=O)OC 62a_100000730899_100009817358 [0,2,0,0,0,0|2,0,0]=4 9997 B13R0.274 COCCCCSC(C)CC(=O)OC 62a_100009817358_100000730899 [0,2,0,0,0,0|2,0,0]=4 9998 B13R0.274 COCCCNC[C@H](O)CC(=O)OC 34a_100150723488_100000754131 [0,2,0,0,0,0|2,0,0]=4 9999 B13R0.274 COCCCOC[C@H](O)CC(=O)OC 34a_100000740835_100000754131 [0,2,0,0,0,0|2,0,0]=4 10000 B13R0.274 COCCCSC[C@H](O)CC(=O)OC 62a_100000709357_100000754131 [0,2,0,0,0,0|2,0,0]=4 10001 B13R0.274 COCCCSC[C@H](O)CC(=O)OC 62a_100000754131_100000709357 [0,2,0,0,0,0|2,0,0]=4 10002 B13R0.332 CCCC(=O)CNCC(O)CC(=O)O 269956a_100011218706_100000747444 [0,2,0,0,0,0|1,0,1]=4 10003 B13R0.332 CCCC(C)CNCC(O)CC(=O)O 269956a_100011218706_100011216630 [0,2,0,0,0,0|1,0,0]=3 10004 B13R0.332 COCC(O)CNCC(O)CC(=O)O 269956a_100011218706_100011215053 [0,2,0,0,0,0|2,0,0]=4 10005 B13R0.333 CCCCCC(=O)CN(C)CC(=O)O 269956a_100000746989_200012276598 [0,2,0,0,0,0|1,0,1]=4 10006 B13R0.335 C#CCCCCCCN(C)CC(=O)O 269956a_100000746989_100012276617 [0,2,0,0,0,0|0,0,2]=4 10007 B13R0.335 C#CCCCCNCC(O)CC(=O)O 269956a_100011218706_100010269958 [0,2,0,0,0,0|0,0,2]=4 10008 B13R0.335 C=C(C)CC(=O)CCCCCCCC 1458a_100000210188_100000748629 [0,2,0,0,0,0|2,0,0]=4 10009 B13R0.335 C=C(C)CN(C)CCCCCCCC 2230a_100000207567_100000748629 [0,2,0,0,0,0|2,0,0]=4 10010 B13R0.335 C=C(C)CN(C)CCCCCCCC 2230a_100000225649_100000210759 [0,2,0,0,0,0|2,0,0]=4 10011 B13R0.335 C=C(C)CN(C)CCCCCCCC 269982a_100000207567_100000748629 [0,2,0,0,0,0|2,0,0]=4 10012 B13R0.335 C=C(C)CN(C)CCCCCCCC 269982a_100000225649_100000210759 [0,2,0,0,0,0|2,0,0]=4 10013 B13R0.335 C=C(F)CC(=O)CCCCCCCC 1458a_100000210188_100009893438 [0,2,0,0,0,0|2,0,0]=4 10014 B13R0.335 C=C(F)CN(C)CCCCCCCC 2230a_100000207567_100009893438 [0,2,0,0,0,0|2,0,0]=4 10015 B13R0.335 C=C(F)CN(C)CCCCCCCC 269982a_100000207567_100009893438 [0,2,0,0,0,0|2,0,0]=4 10016 B13R0.335 C=CCCCCCCN(C)CC(=O)O 269956a_100000746989_100011215473 [0,2,0,0,0,0|0,0,2]=4 10017 B13R0.335 C=CCCCCNCC(O)CC(=O)O 269956a_100011218706_100011215482 [0,2,0,0,0,0|0,0,2]=4 10018 B13R0.335 CC/C=C\CCNCC(O)CC(=O)O 269956a_100011218706_100015370543 [0,2,0,0,0,0|0,0,2]=4 10019 B13R0.335 CCCCCC#CCN(C)CC(=O)O 269956a_100000746989_100009816472 [0,2,0,0,0,0|0,0,2]=4 10020 B13R0.335 CCCCCCCCC(=O)CC(=O)N 1458a_100000210188_100000187820 [0,2,0,0,0,0|1,0,0]=3 10021 B13R0.335 CCCCCCCCC(=O)CC(=O)N 1458a_100134613110_100000210759 [0,2,0,0,0,0|1,0,0]=3 10022 B13R0.335 CCCCCCCCC(=O)CC(=O)[O-] 1458a_100000210188_100020667443 [0,2,0,0,0,0|0,0,1]=3 10023 B13R0.335 CCCCCCCCC(=O)CC(C)O 1458a_100000210188_100011218427 [0,2,0,0,0,0|1,0,1]=4 10024 B13R0.335 CCCCCCCCC(=O)C[C@@H](C)O 1458a_100011933948_100000210759 [0,2,0,0,0,0|1,0,1]=4 10025 B13R0.335 CCCCCCCCC(=O)C[N+](=O)[O-] 1458a_100000210188_100000761209 [0,2,0,0,0,0|1,0,1]=4 10026 B13R0.335 CCCCCCCCN(C)CC(=O)N 2230a_100000207567_100000747473 [0,2,0,0,0,0|1,0,0]=3 10027 B13R0.335 CCCCCCCCN(C)CC(=O)N 2230a_100000739694_100000210759 [0,2,0,0,0,0|1,0,0]=3 10028 B13R0.335 CCCCCCCCN(C)CC(=O)N 269982a_100000207567_100000187820 [0,2,0,0,0,0|1,0,0]=3 10029 B13R0.335 CCCCCCCCN(C)CC(=O)O 269956a_100000746989_100000210759 [0,2,0,0,0,0|0,0,0]=2 10030 B13R0.335 CCCCCCCCN(C)CC(=O)[O-] 269982a_100000207567_100020667443 [0,2,0,0,0,0|0,0,1]=3 10031 B13R0.335 CCCCCCCCN(C)CC(C)O 2230a_100000207567_100011218427 [0,2,0,0,0,0|1,0,1]=4 10032 B13R0.335 CCCCCCCCN(C)CC(C)O 2230a_100000227577_100000210759 [0,2,0,0,0,0|1,0,1]=4 10033 B13R0.335 CCCCCCCCN(C)CC(C)O 269982a_100000207567_100011218427 [0,2,0,0,0,0|1,0,1]=4 10034 B13R0.335 CCCCCCCCN(C)CC(C)O 269982a_100000227577_100000210759 [0,2,0,0,0,0|1,0,1]=4 10035 B13R0.335 CCCCCCCCN(C)C[C@@H](C)O 2230a_100000207567_100009817552 [0,2,0,0,0,0|1,0,1]=4 10036 B13R0.335 CCCCCCCCN(C)C[C@@H](C)O 269982a_100000207567_100009817552 [0,2,0,0,0,0|1,0,1]=4 10037 B13R0.335 CCCCCCCCN(C)C[N+](=O)[O-] 269982a_100000207567_100000761209 [0,2,0,0,0,0|1,0,1]=4 10038 B13R0.335 CCCCCCCNC(=O)CC(=O)N 240690a_100000229938_100134613110 [0,2,0,0,0,0|1,0,1]=4 10039 B13R0.335 CCCCCCCNC(=O)CC(=O)N 527a_100000229938_100134613110 [0,2,0,0,0,0|1,0,1]=4 10040 B13R0.335 CCCCCCCSC(C)OC(=O)C 62a_100000210614_100009818208 [0,2,0,0,0,0|2,0,0]=4 10041 B13R0.335 CCCCCCCSC(C)OC(=O)C 62a_100009818208_100000210316 [0,2,0,0,0,0|2,0,0]=4 10042 B13R0.335 CCCCCCNCC(O)CC(=O)O 269956a_100011218706_100000210757 [0,2,0,0,0,0|0,0,0]=2 10043 B13R0.335 CCCCOCNCC(O)CC(=O)O 269956a_100011218706_100011995733 [0,2,0,0,0,0|1,0,0]=3 10044 B13R0.335 CCCOCCNCC(O)CC(=O)O 269956a_100011218706_100011215938 [0,2,0,0,0,0|1,0,0]=3 10045 B13R0.335 CCOCCCNCC(O)CC(=O)O 269956a_100011218706_100012232248 [0,2,0,0,0,0|1,0,0]=3 10046 B13R0.335 CCOCCOCCN(C)CC(=O)O 269956a_100000746989_100011211534 [0,2,0,0,0,0|2,0,0]=4 10047 B13R0.335 CN(CCCCCCC#N)CC(=O)O 269956a_100000746989_100009813337 [0,2,0,0,0,0|1,0,1]=4 10048 B13R0.335 CN(CCCCCCCO)CC(=O)N 2230a_100000739694_100000760002 [0,2,0,0,0,0|2,0,0]=4 10049 B13R0.335 CN(CCCCCCCO)CC(=O)O 269956a_100000746989_100000760002 [0,2,0,0,0,0|1,0,0]=3 10050 B13R0.335 COCCCCCCC(=O)CC(=O)N 1458a_100134613110_100011998445 [0,2,0,0,0,0|1,0,1]=4 10051 B13R0.335 COCCCCCCN(C)CC(=O)N 2230a_100000739694_100011998445 [0,2,0,0,0,0|2,0,0]=4 10052 B13R0.335 COCCCCCCN(C)CC(=O)O 269956a_100000746989_100011998445 [0,2,0,0,0,0|1,0,0]=3 10053 B13R0.335 COCCCCNCC(O)CC(=O)O 269956a_100011218706_100000730899 [0,2,0,0,0,0|1,0,0]=3 10054 B13R0.335 COCCOCCCN(C)CC(=O)O 269956a_100000746989_100011216529 [0,2,0,0,0,0|2,0,0]=4 10055 B13R0.335 COCCOCNCC(O)CC(=O)O 269956a_100011218706_100000231047 [0,2,0,0,0,0|2,0,0]=4 10056 B13R0.335 N#CCCCCNCC(O)CC(=O)O 269956a_100011218706_100011219923 [0,2,0,0,0,0|1,0,1]=4 10057 B13R0.335 NC(=O)CC(=O)CCCCCCCO 1458a_100011219782_100000187820 [0,2,0,0,0,0|1,0,1]=4 10058 B13R0.335 NC(=O)CC(=O)CCCCCCCO 1458a_100134613110_100000760002 [0,2,0,0,0,0|1,0,1]=4 10059 B13R0.335 O=C(O)CC(O)CNCCCCCF 269956a_100011218706_100000729378 [0,2,0,0,0,0|1,0,0]=3 10060 B13R0.335 O=C(O)CC(O)CNCCCCCO 269956a_100011218706_100000746330 [0,2,0,0,0,0|1,0,0]=3 10061 B13R0.335 O=C(O)CC(O)CNCCOCCO 269956a_100011218706_100011215305 [0,2,0,0,0,0|2,0,0]=4 10062 B13R0.335 O=C([O-])CC(=O)CCCCCCCO 1458a_100011219782_100020667443 [0,2,0,0,0,0|0,0,2]=4 10063 B13R0.335 O=CCCCCNCC(O)CC(=O)O 269956a_100011218706_100000139335 [0,2,0,0,0,0|1,0,1]=4 10064 B13R0.337 CC(C(=O)O)N(C)CCCCCCF 269956a_100000749554_100015922095 [0,2,0,0,0,0|2,0,0]=4 10065 B13R0.337 CC(C(=O)O)N(C)CCCCCCO 269956a_100000749554_100000766143 [0,2,0,0,0,0|2,0,0]=4 10066 B13R0.337 CCCCCCCC(=O)C(C)C(=O)C 1458a_100000211969_100000179758 [0,2,0,0,0,0|1,0,1]=4 10067 B13R0.337 CCCCCCCC(=O)C(C)C(=O)N 1458a_100000211969_100000702099 [0,2,0,0,0,0|1,0,1]=4 10068 B13R0.337 CCCCCCCC(=O)C(F)C(=O)N 1458a_100000211969_100009813875 [0,2,0,0,0,0|1,0,1]=4 10069 B13R0.337 CCCCCCCC(=O)C(F)C(=O)[O-] 1458a_100000211969_100020610796 [0,2,0,0,0,0|0,0,2]=4 10070 B13R0.337 CCCCCCCN(C)C(C)C(=O)C 2230a_100000228206_100009814033 [0,2,0,0,0,0|2,0,0]=4 10071 B13R0.337 CCCCCCCN(C)C(C)C(=O)C 269982a_100000228206_100009814033 [0,2,0,0,0,0|2,0,0]=4 10072 B13R0.337 CCCCCCCN(C)C(C)C(=O)N 2230a_100000228206_100000702099 [0,2,0,0,0,0|2,0,0]=4 10073 B13R0.337 CCCCCCCN(C)C(C)C(=O)N 269982a_100000228206_100000184083 [0,2,0,0,0,0|2,0,0]=4 10074 B13R0.337 CCCCCCCN(C)C(C)C(=O)O 269956a_100000749554_100000210614 [0,2,0,0,0,0|1,0,0]=3 10075 B13R0.337 CCCCCCCN(C)C(F)C(=O)N 2230a_100000228206_100009813875 [0,2,0,0,0,0|2,0,0]=4 10076 B13R0.337 CCCCCCCN(C)C(F)C(=O)N 269982a_100000228206_100009813875 [0,2,0,0,0,0|2,0,0]=4 10077 B13R0.337 CCCCCCO[C@H](C)[C@H](N)C(=O)N 34a_100000003557_100000210314 [0,2,0,0,0,0|2,0,0]=4 10078 B13R0.337 CCCCOCCN(C)C(C)C(=O)O 269956a_100000749554_100000743108 [0,2,0,0,0,0|2,0,0]=4 10079 B13R0.438 CCCCCCC(C)C(=O)CC(=O)N 1458a_100134613110_100011215978 [0,2,0,0,0,0|1,0,1]=4 10080 B13R0.438 CCCCCCC(C)N(C)CC(=O)N 2230a_100000739694_100011215978 [0,2,0,0,0,0|2,0,0]=4 10081 B13R0.438 CCCCCCC(C)N(C)CC(=O)N 270004a_100000739694_100000210826 [0,2,0,0,0,0|2,0,0]=4 10082 B13R0.438 CCCCCCC(C)N(C)CC(=O)O 269956a_100000746989_100011215978 [0,2,0,0,0,0|1,0,0]=3 10083 B13R0.438 CCCCCCC(O)C(=O)CC(=O)N 1458a_100011215828_100000187820 [0,2,0,0,0,0|1,0,1]=4 10084 B13R0.438 CCCCCCC(O)C(=O)CC(=O)[O-] 1458a_100011215828_100020667443 [0,2,0,0,0,0|0,0,2]=4 10085 B13R0.712 CC(C)(CC(=O)O)NCCCCCF 269956a_100000755897_100000729378 [0,2,0,0,0,0|2,0,0]=4 10086 B13R0.712 CC(C)(CC(=O)O)NCCCCCO 269956a_100000755897_100000746330 [0,2,0,0,0,0|2,0,0]=4 10087 B13R0.712 CCCCCCNC(C)(C)CC(=O)N 2230a_100000763158_100000210314 [0,2,0,0,0,0|2,0,0]=4 10088 B13R0.712 CCCCCCNC(C)(C)CC(=O)O 269956a_100000755897_100000210757 [0,2,0,0,0,0|1,0,0]=3 10089 B13R0.712 CCCCCCOC(C)(C)CC(=O)C 7a_100000210262_100000210314 [0,2,0,0,0,0|2,0,0]=4 10090 B13R0.712 CCCCOCNC(C)(C)CC(=O)O 269956a_100000755897_100011995733 [0,2,0,0,0,0|2,0,0]=4 10091 B13R0.712 CCCOCCNC(C)(C)CC(=O)O 269956a_100000755897_100011215938 [0,2,0,0,0,0|2,0,0]=4 10092 B13R0.712 CCOCCCNC(C)(C)CC(=O)O 269956a_100000755897_100012232248 [0,2,0,0,0,0|2,0,0]=4 10093 B13R0.712 COCCCCNC(C)(C)CC(=O)O 269956a_100000755897_100000730899 [0,2,0,0,0,0|2,0,0]=4 10094 B13R0.71 CCC(C)CC(=O)CCCCC(=O)C 1458a_100000708755_100000735457 [0,2,0,0,0,0|1,0,1]=4 10095 B13R0.71 CCC(C)CN(C)CCCCC(=O)C 269982a_100000753921_100000735457 [0,2,0,0,0,0|2,0,0]=4 10096 B13R0.71 CCC(O)CC(=O)CCCCC(=O)C 1458a_100011667805_100000735457 [0,2,0,0,0,0|1,0,1]=4 10097 B13R0.113 CCCCC(=O)CCCCC(=O)OC 1458a_100000210183_100000204269 [0,2,0,0,0,0|0,0,1]=3 10098 B13R0.113 CCCCC(=O)CCCCC(=O)OC 1458a_100000695723_100000210211 [0,2,0,0,0,0|0,0,1]=3 10099 B13R0.113 CCCCC(=O)CCCNC(=O)OC 1458a_100000753017_100000210211 [0,2,0,0,0,0|1,0,1]=4 10100 B13R0.113 CCCCC(=O)CCOCC(=O)OC 1458a_100000210183_100000090808 [0,2,0,0,0,0|1,0,1]=4 10101 B13R0.113 CCCCC(=O)NCCCC(=O)OC 188690a_100000184769_100000210183 [0,2,0,0,0,0|1,0,1]=4 10102 B13R0.113 CCCCC(C)COCCC(=O)NC 34a_100011995851_100012179268 [0,2,0,0,0,0|2,0,0]=4 10103 B13R0.113 CCCCC(C)COCCC(=O)NC 7a_100011995851_100000737683 [0,2,0,0,0,0|2,0,0]=4 10104 B13R0.113 CCCCC(C)COCCC(=O)OC 34a_100011995851_100000742370 [0,2,0,0,0,0|1,0,0]=3 10105 B13R0.113 CCCCC(C)COCCC(=O)OC 7a_100011995851_100000204255 [0,2,0,0,0,0|1,0,0]=3 10106 B13R0.113 CCCCC(C)NCCCC(=O)NC 2230a_100000126638_100000741757 [0,2,0,0,0,0|2,0,0]=4 10107 B13R0.113 CCCCC(C)NCCCC(=O)NC 2230a_100000740002_200011215066 [0,2,0,0,0,0|2,0,0]=4 10108 B13R0.113 CCCCC(C)NCCCC(=O)NC 270004a_100000740002_100000210087 [0,2,0,0,0,0|2,0,0]=4 10109 B13R0.113 CCCCC(C)NCCCC(=O)NC 34a_100000740002_200011215066 [0,2,0,0,0,0|2,0,0]=4 10110 B13R0.113 CCCCC(C)NCCCC(=O)OC 2230a_100000126638_100011218270 [0,2,0,0,0,0|1,0,0]=3 10111 B13R0.113 CCCCC(C)OCCCC(=O)NC 34a_100000687866_100000741757 [0,2,0,0,0,0|2,0,0]=4 10112 B13R0.113 CCCCC(C)OCCCC(=O)NC 7a_100000687866_100000741757 [0,2,0,0,0,0|2,0,0]=4 10113 B13R0.113 CCCCC(C)OCCCC(=O)NN 34a_100000211488_200011215066 [0,2,0,0,0,0|2,0,0]=4 10114 B13R0.113 CCCCC(C)OCCCC(=O)OC 34a_100000687866_100000742333 [0,2,0,0,0,0|1,0,0]=3 10115 B13R0.113 CCCCC(C)OCCCC(=O)OC 7a_100000687866_100011218270 [0,2,0,0,0,0|1,0,0]=3 10116 B13R0.113 CCCCC(C)OCCNC(=O)OC 34a_100000757965_200011215066 [0,2,0,0,0,0|2,0,0]=4 10117 B13R0.113 CCCCC(C)OCCOC(=O)OC 34a_100010262106_200011215066 [0,2,0,0,0,0|2,0,0]=4 10118 B13R0.113 CCCCC(C)SCCCC(=O)NC 62a_100000741757_200011215066 [0,2,0,0,0,0|2,0,0]=4 10119 B13R0.113 CCCCC(C)SCCCC(=O)NC 62a_200011215066_100000741757 [0,2,0,0,0,0|2,0,0]=4 10120 B13R0.113 CCCCC(C)SCCCC(=O)OC 62a_100011218270_200011215066 [0,2,0,0,0,0|1,0,0]=3 10121 B13R0.113 CCCCC(C)SCCCC(=O)OC 62a_200011215066_100011218270 [0,2,0,0,0,0|1,0,0]=3 10122 B13R0.113 CCCCN(C)CCCCC(=O)OC 2230a_100000207549_100000204269 [0,2,0,0,0,0|1,0,0]=3 10123 B13R0.113 CCCCN(C)CCCCC(=O)OC 269982a_100000207549_100000204269 [0,2,0,0,0,0|1,0,0]=3 10124 B13R0.113 CCCCN(C)CCOCC(=O)OC 2230a_100000207549_100000090808 [0,2,0,0,0,0|2,0,0]=4 10125 B13R0.113 CCCC[C@H](N)COCCC(=O)NC 34a_100011934283_100012179268 [0,2,0,0,0,0|2,0,0]=4 10126 B13R0.113 CCCC[C@H](N)COCCC(=O)OC 34a_100011934283_100000742370 [0,2,0,0,0,0|1,0,0]=3 10127 B13R0.113 CCCNC(=O)CCCCC(=O)OC 11a_100020643023_100000695723 [0,2,0,0,0,0|1,0,1]=4 10128 B13R0.113 CCCNC(=O)CCCCC(=O)OC 1626a_100020643023_100000695723 [0,2,0,0,0,0|1,0,1]=4 10129 B13R0.113 CCCNC(=O)CCCCC(=O)OC 240690a_100020643023_100000695723 [0,2,0,0,0,0|1,0,1]=4 10130 B13R0.113 CCCNC(=O)CCCCC(=O)OC 527a_100020643023_100000695723 [0,2,0,0,0,0|1,0,1]=4 10131 B13R0.113 CCCOC(C)CNCCC(=O)OC 2230a_100015185124_100000204255 [0,2,0,0,0,0|2,0,0]=4 10132 B13R0.113 CCCOC(C)CNCCC(=O)OC 34a_100015185124_100000742370 [0,2,0,0,0,0|2,0,0]=4 10133 B13R0.113 CCOCC(=O)CCCCC(=O)OC 1458a_100000211967_100000204269 [0,2,0,0,0,0|1,0,1]=4 10134 B13R0.113 CCOCC(C)OCCCC(=O)OC 34a_100000718985_100000742333 [0,2,0,0,0,0|2,0,0]=4 10135 B13R0.113 CCOCC(C)OCCCC(=O)OC 7a_100000718985_100011218270 [0,2,0,0,0,0|2,0,0]=4 10136 B13R0.113 CCOCC(O)CNCCC(=O)OC 2230a_102515437182_100000204255 [0,2,0,0,0,0|2,0,0]=4 10137 B13R0.113 CCOCC(O)CNCCC(=O)OC 34a_102515437182_100000742370 [0,2,0,0,0,0|2,0,0]=4 10138 B13R0.113 CCSCC(=O)CCCCC(=O)OC 1458a_100000230394_100000204269 [0,2,0,0,0,0|1,0,1]=4 10139 B13R0.113 COC(=O)CCCCC(=O)CCCF 1458a_100000695723_100011934791 [0,2,0,0,0,0|1,0,1]=4 10140 B13R0.113 COC(=O)CCCCC(=O)CCCO 1458a_100000695723_100011215043 [0,2,0,0,0,0|1,0,1]=4 10141 B13R0.113 COC(=O)CCCCC(=O)CCSC 1458a_100000174002_100000204269 [0,2,0,0,0,0|1,0,1]=4 10142 B13R0.113 COC(=O)CCCCC(=O)CCSC 1458a_100000695723_100000751147 [0,2,0,0,0,0|1,0,1]=4 10143 B13R0.113 COC(=O)CCCCN(C)CCCO 2230a_100000213112_100000204269 [0,2,0,0,0,0|2,0,0]=4 10144 B13R0.113 COC(=O)CCCCN(C)CCCO 269982a_100000213112_100000204269 [0,2,0,0,0,0|2,0,0]=4 10145 B13R0.113 COC(=O)CCCCN(C)CCSC 2230a_100000686725_100000204269 [0,2,0,0,0,0|2,0,0]=4 10146 B13R0.113 COC(=O)CCCCN(C)CCSC 269982a_100000686725_100000204269 [0,2,0,0,0,0|2,0,0]=4 10147 B13R0.113 COC(=O)CCCOC(C)CCCCl 34a_200000718107_100000742333 [0,2,0,0,0,0|2,0,0]=4 10148 B13R0.113 COC(=O)CCCOC(C)CCCCl 7a_200000718107_100011218270 [0,2,0,0,0,0|2,0,0]=4 10149 B13R0.113 COC(=O)CCNC[C@H](C)CCCO 2230a_100160569302_100000204255 [0,2,0,0,0,0|2,0,0]=4 10150 B13R0.113 COC(=O)CCNC[C@H](C)CCCO 34a_100160569302_100000742370 [0,2,0,0,0,0|2,0,0]=4 10151 B13R0.113 COC(=O)CCOC[C@@H](N)CCSC 34a_100011827619_100000742370 [0,2,0,0,0,0|2,0,0]=4 10152 B13R0.113 COCCC(=O)CCCCC(=O)OC 1458a_100000695723_100000233755 [0,2,0,0,0,0|1,0,1]=4 10153 B13R0.113 COCCC(=O)CCCCC(=O)OC 1458a_100000749529_100000204269 [0,2,0,0,0,0|1,0,1]=4 10154 B13R0.113 COCCN(C)CCCCC(=O)OC 2230a_100000743101_100000204269 [0,2,0,0,0,0|2,0,0]=4 10155 B13R0.113 COCCN(C)CCCCC(=O)OC 269982a_100000743101_100000204269 [0,2,0,0,0,0|2,0,0]=4 10156 B13R0.182 CC(=O)CCCCC(=O)CCC(C)C 1458a_100000181311_100000735457 [0,2,0,0,0,0|1,0,1]=4 10157 B13R0.182 CC(=O)CCCCN(C)CCC(C)C 269982a_100000742789_100000735457 [0,2,0,0,0,0|2,0,0]=4 10158 B13R0.182 CC(=O)CCCOC(C)CCC(C)C 34a_100000759063_100011261404 [0,2,0,0,0,0|2,0,0]=4 10159 B13R0.182 CC(=O)CCCOC(C)CCC(C)C 34a_100011215350_100000685027 [0,2,0,0,0,0|2,0,0]=4 10160 B13R0.182 CC(=O)CCCOC(C)CCC(C)C 7a_100011215350_100011215641 [0,2,0,0,0,0|2,0,0]=4 10161 B13R0.182 CC(=O)CCCSC(C)CCC(C)C 62a_100011215641_100011261404 [0,2,0,0,0,0|2,0,0]=4 10162 B13R0.182 CC(=O)CCCSC(C)CCC(C)C 62a_100011261404_100011215641 [0,2,0,0,0,0|2,0,0]=4 10163 B13R0.182 CC(C)CCC(C)NCCCC(=O)N 34a_100000739312_100011261404 [0,2,0,0,0,0|2,0,0]=4 10164 B13R0.182 CC(C)CCC(C)OCCCC(=O)N 34a_100011215350_100102525003 [0,2,0,0,0,0|2,0,0]=4 10165 B13R0.182 CC(C)CCC(C)OCCCC(=O)N 7a_100011215350_100102525003 [0,2,0,0,0,0|2,0,0]=4 10166 B13R0.182 CC(C)CCC(C)SCCCC(=O)N 62a_100011261404_100102525003 [0,2,0,0,0,0|2,0,0]=4 10167 B13R0.182 CC(C)CCC(C)SCCCC(=O)N 62a_100102525003_100011261404 [0,2,0,0,0,0|2,0,0]=4 10168 B13R0.182 CC(C)CCCCC(=O)CCC(=O)N 1458a_100011215257_100011216152 [0,2,0,0,0,0|1,0,1]=4 10169 B13R0.182 CC(C)CCCCN(C)CCC(=O)N 2230a_100000730477_100011216152 [0,2,0,0,0,0|2,0,0]=4 10170 B13R0.188 CC(=O)CCCCC(=O)CCCCO 1458a_100000695505_100000735457 [0,2,0,0,0,0|1,0,1]=4 10171 B13R0.188 CC(=O)CCCCN(C)CCCCO 269982a_100000717598_100000735457 [0,2,0,0,0,0|2,0,0]=4 10172 B13R0.188 CCCCCC(=O)CCCCB(O)O 1458a_100000212188_200009817182 [0,2,0,0,0,0|1,0,1]=4 10173 B13R0.188 CCCCCC(=O)CCCCC(=O)C 1458a_100000212188_100000735457 [0,2,0,0,0,0|1,0,0]=3 10174 B13R0.188 CCCCCC(=O)CCCNC(=O)C 1458a_100000194741_100000210326 [0,2,0,0,0,0|1,0,1]=4 10175 B13R0.188 CCCCCC(=O)CCCOC(=O)C 1458a_100000212188_100000042594 [0,2,0,0,0,0|1,0,1]=4 10176 B13R0.188 CCCCCC(=O)CCCSC(=O)C 1458a_100000212188_100000038929 [0,2,0,0,0,0|1,0,1]=4 10177 B13R0.188 CCCCCC(=O)CCOCC(=O)N 1458a_100000212188_100000076697 [0,2,0,0,0,0|1,0,1]=4 10178 B13R0.188 CCCCCC(=O)CCSCC(=O)N 1458a_100000148550_100000210326 [0,2,0,0,0,0|1,0,1]=4 10179 B13R0.188 CCCCCC(=O)CNOCC(=O)O 269956a_100000106656_200012276598 [0,2,0,0,0,0|1,0,1]=4 10180 B13R0.188 CCCCCC(=O)COCCC(=O)C 34a_100000759926_200012276598 [0,2,0,0,0,0|1,0,1]=4 10181 B13R0.188 CCCCCC(=O)COCCC(=O)C 7a_100000759926_200012276598 [0,2,0,0,0,0|1,0,1]=4 10182 B13R0.188 CCCCCC(=O)COCCC(=O)N 34a_100000757172_200012276598 [0,2,0,0,0,0|1,0,1]=4 10183 B13R0.188 CCCCCC(=O)COCCC(=O)N 7a_100000757172_200012276598 [0,2,0,0,0,0|1,0,1]=4 10184 B13R0.188 CCCCCC(=O)CSCCC(=O)C 62a_100000053229_200012276598 [0,2,0,0,0,0|1,0,1]=4 10185 B13R0.188 CCCCCC(=O)CSCCC(=O)C 62a_200012276598_100000053229 [0,2,0,0,0,0|1,0,1]=4 10186 B13R0.188 CCCCCC(=O)CSCCC(=O)N 62a_100000744528_200012276598 [0,2,0,0,0,0|1,0,1]=4 10187 B13R0.188 CCCCCC(=O)CSCCC(=O)N 62a_200012276598_100000744528 [0,2,0,0,0,0|1,0,1]=4 10188 B13R0.188 CCCCCC(=O)NCCCC(=O)N 240690a_100000739312_100000212188 [0,2,0,0,0,0|1,0,1]=4 10189 B13R0.188 CCCCCC(=O)NCCCC(=O)N 527a_100000739312_100000212188 [0,2,0,0,0,0|1,0,1]=4 10190 B13R0.188 CCCCCC(C)NCCCC(=O)N 34a_100000739312_200011218191 [0,2,0,0,0,0|1,0,0]=3 10191 B13R0.188 CCCCCC(C)NCCCC(C)O 2230a_100000211957_200000718107 [0,2,0,0,0,0|1,0,1]=4 10192 B13R0.188 CCCCCC(C)NCCCS(=O)C 2230a_200000753449_200011218191 [0,2,0,0,0,0|2,0,0]=4 10193 B13R0.188 CCCCCC(C)NCCCS(=O)C 270004a_200000753449_100000211708 [0,2,0,0,0,0|2,0,0]=4 10194 B13R0.188 CCCCCC(C)NCCNC(=O)C 2230a_100000209853_200011218191 [0,2,0,0,0,0|2,0,0]=4 10195 B13R0.188 CCCCCC(C)NCCNC(=O)C 2230a_100000211957_100000189650 [0,2,0,0,0,0|2,0,0]=4 10196 B13R0.188 CCCCCC(C)NCCNC(=O)N 2230a_100000211957_200000034859 [0,2,0,0,0,0|2,0,0]=4 10197 B13R0.188 CCCCCC(C)NCCNC(=O)N 34a_100020590234_200011218191 [0,2,0,0,0,0|2,0,0]=4 10198 B13R0.188 CCCCCC(C)OCCCC(=O)C 34a_100000759063_200011218191 [0,2,0,0,0,0|1,0,0]=3 10199 B13R0.188 CCCCCC(C)OCCCC(=O)C 34a_100011215632_100000685027 [0,2,0,0,0,0|1,0,0]=3 10200 B13R0.188 CCCCCC(C)OCCCC(=O)C 7a_100000759063_200011218191 [0,2,0,0,0,0|1,0,0]=3 10201 B13R0.188 CCCCCC(C)OCCCC(=O)C 7a_100011215632_100011215641 [0,2,0,0,0,0|1,0,0]=3 10202 B13R0.188 CCCCCC(C)OCCCC(=O)N 34a_100011215632_100102525003 [0,2,0,0,0,0|1,0,0]=3 10203 B13R0.188 CCCCCC(C)OCCCC(=O)N 7a_100011215632_100102525003 [0,2,0,0,0,0|1,0,0]=3 10204 B13R0.188 CCCCCC(C)OCCCC(C)O 34a_100011215632_200000718107 [0,2,0,0,0,0|1,0,1]=4 10205 B13R0.188 CCCCCC(C)OCCCC(C)O 7a_100011215632_200000718107 [0,2,0,0,0,0|1,0,1]=4 10206 B13R0.188 CCCCCC(C)OCCC[N+](=O)[O-] 34a_200000037920_200011218191 [0,2,0,0,0,0|1,0,1]=4 10207 B13R0.188 CCCCCC(C)OCCNC(=O)C 34a_100000158858_200011218191 [0,2,0,0,0,0|2,0,0]=4 10208 B13R0.188 CCCCCC(C)OCCNC(=O)C 7a_100011215632_100000189650 [0,2,0,0,0,0|2,0,0]=4 10209 B13R0.188 CCCCCC(C)OCCNC(=O)N 34a_100000181757_200011218191 [0,2,0,0,0,0|2,0,0]=4 10210 B13R0.188 CCCCCC(C)OCCNC(=O)N 7a_100011215632_200000034859 [0,2,0,0,0,0|2,0,0]=4 10211 B13R0.188 CCCCCC(C)OCCOC(=O)C 34a_100011215632_100009814007 [0,2,0,0,0,0|2,0,0]=4 10212 B13R0.188 CCCCCC(C)OCCOC(=O)C 7a_100011215632_100009814007 [0,2,0,0,0,0|2,0,0]=4 10213 B13R0.188 CCCCCC(C)OCCOC(=O)N 34a_100011215632_200011214921 [0,2,0,0,0,0|2,0,0]=4 10214 B13R0.188 CCCCCC(C)OCCOC(=O)N 7a_100000766696_200011218191 [0,2,0,0,0,0|2,0,0]=4 10215 B13R0.188 CCCCCC(C)OCCOC(=O)N 7a_100011215632_200011214921 [0,2,0,0,0,0|2,0,0]=4 10216 B13R0.188 CCCCCC(C)SCCCC(=O)C 62a_100011215641_200011218191 [0,2,0,0,0,0|1,0,0]=3 10217 B13R0.188 CCCCCC(C)SCCCC(=O)C 62a_200011218191_100011215641 [0,2,0,0,0,0|1,0,0]=3 10218 B13R0.188 CCCCCC(C)SCCCC(=O)N 62a_100102525003_200011218191 [0,2,0,0,0,0|1,0,0]=3 10219 B13R0.188 CCCCCC(C)SCCCC(=O)N 62a_200011218191_100102525003 [0,2,0,0,0,0|1,0,0]=3 10220 B13R0.188 CCCCCC(C)SCCCC(C)O 62a_200000718107_200011218191 [0,2,0,0,0,0|1,0,1]=4 10221 B13R0.188 CCCCCC(C)SCCCC(C)O 62a_200011218191_200000718107 [0,2,0,0,0,0|1,0,1]=4 10222 B13R0.188 CCCCCC(C)SCCNC(=O)C 62a_100000189650_200011218191 [0,2,0,0,0,0|2,0,0]=4 10223 B13R0.188 CCCCCC(C)SCCNC(=O)C 62a_200011218191_100000189650 [0,2,0,0,0,0|2,0,0]=4 10224 B13R0.188 CCCCCC(C)SCCNC(=O)N 62a_200000034859_200011218191 [0,2,0,0,0,0|2,0,0]=4 10225 B13R0.188 CCCCCC(C)SCCNC(=O)N 62a_200011218191_200000034859 [0,2,0,0,0,0|2,0,0]=4 10226 B13R0.188 CCCCCC(C)SCCOC(=O)C 62a_100009814007_200011218191 [0,2,0,0,0,0|2,0,0]=4 10227 B13R0.188 CCCCCC(C)SCCOC(=O)C 62a_200011218191_100009814007 [0,2,0,0,0,0|2,0,0]=4 10228 B13R0.188 CCCCCC(C)SCCOC(=O)N 62a_200011214921_200011218191 [0,2,0,0,0,0|2,0,0]=4 10229 B13R0.188 CCCCCC(C)SCCOC(=O)N 62a_200011218191_200011214921 [0,2,0,0,0,0|2,0,0]=4 10230 B13R0.188 CCCCCN(C)CCCCB(O)O 2230a_100000223495_200009817182 [0,2,0,0,0,0|1,0,1]=4 10231 B13R0.188 CCCCCN(C)CCCCB(O)O 269982a_100000223495_200009817182 [0,2,0,0,0,0|1,0,1]=4 10232 B13R0.188 CCCCCN(C)CCCCC(=O)C 269982a_100000223495_100000735457 [0,2,0,0,0,0|1,0,0]=3 10233 B13R0.188 CCCCCN(C)CCCOC(=O)C 269982a_100000223495_100000042594 [0,2,0,0,0,0|2,0,0]=4 10234 B13R0.188 CCCCCN(C)CCCSC(=O)C 2230a_100000223495_100000038929 [0,2,0,0,0,0|2,0,0]=4 10235 B13R0.188 CCCCCN(C)CCCSC(=O)C 269982a_100000223495_100000038929 [0,2,0,0,0,0|2,0,0]=4 10236 B13R0.188 CCCCCN(C)CCOCC(=O)N 2230a_100000223495_100000076697 [0,2,0,0,0,0|2,0,0]=4 10237 B13R0.188 CCCCCN(C)CCOCC(=O)N 269982a_100000223495_100000076697 [0,2,0,0,0,0|2,0,0]=4 10238 B13R0.188 CCCOCC(=O)CCCCC(=O)C 1458a_100000745993_100000735457 [0,2,0,0,0,0|1,0,1]=4 10239 B13R0.188 CCCSCC(=O)CCCCC(=O)C 1458a_100000217233_100000735457 [0,2,0,0,0,0|1,0,1]=4 10240 B13R0.188 CCOCCC(=O)CCCCC(=O)C 1458a_100000749530_100000735457 [0,2,0,0,0,0|1,0,1]=4 10241 B13R0.188 CCSCCC(=O)CCCCC(=O)C 1458a_100000230768_100000735457 [0,2,0,0,0,0|1,0,1]=4 10242 B13R0.188 COCCCC(=O)CCCCC(=O)C 1458a_100000741012_100000735457 [0,2,0,0,0,0|1,0,1]=4 10243 B13R0.188 COCCCC(C)OCCCC(=O)C 34a_200011539412_100000685027 [0,2,0,0,0,0|2,0,0]=4 10244 B13R0.188 COCCCC(C)OCCCC(=O)C 7a_200011539412_100011215641 [0,2,0,0,0,0|2,0,0]=4 10245 B13R0.188 COCCCC(C)OCCCC(=O)N 34a_200011539412_100102525003 [0,2,0,0,0,0|2,0,0]=4 10246 B13R0.188 COCCCC(C)OCCCC(=O)N 7a_200011539412_100102525003 [0,2,0,0,0,0|2,0,0]=4 10247 B13R0.188 COCCCN(C)CCCCC(=O)C 269982a_100000224831_100000735457 [0,2,0,0,0,0|2,0,0]=4 10248 B13R0.188 CSCCCC(=O)CCCCC(=O)C 1458a_100000173376_100000735457 [0,2,0,0,0,0|1,0,1]=4 10249 B13R0.188 NCCCC[C@H](N)COCCC(=O)N 34a_100016993712_100000731001 [0,2,0,0,0,0|2,0,0]=4 10250 B13R0.261 CCCC(C)C(=O)CCCCC(=O)C 1458a_100000210906_100000735457 [0,2,0,0,0,0|1,0,1]=4 10251 B13R0.261 CCCC(C)C(C)OCCCC(=O)C 34a_100000708338_100000685027 [0,2,0,0,0,0|2,0,0]=4 10252 B13R0.261 CCCC(C)C(C)OCCCC(=O)C 7a_100000708338_100011215641 [0,2,0,0,0,0|2,0,0]=4 10253 B13R0.261 CCCC(C)C(C)OCCCC(=O)N 34a_100000708338_100102525003 [0,2,0,0,0,0|2,0,0]=4 10254 B13R0.261 CCCC(C)C(C)OCCCC(=O)N 7a_100000708338_100102525003 [0,2,0,0,0,0|2,0,0]=4 10255 B13R0.261 CCC[C@H](O)C(=O)CCCCC(=O)C 1458a_100009822183_100000735457 [0,2,0,0,0,0|1,0,1]=4 10256 B13R0.300 C#CC(CCCC)OCCCC(=O)C 34a_200011217967_100000685027 [0,2,0,0,0,0|2,0,0]=4 10257 B13R0.300 C#CC(CCCC)OCCCC(=O)C 7a_200011217967_100011215641 [0,2,0,0,0,0|2,0,0]=4 10258 B13R0.300 C#CC(CCCC)OCCCC(=O)N 34a_200011217967_100102525003 [0,2,0,0,0,0|2,0,0]=4 10259 B13R0.300 C#CC(CCCC)OCCCC(=O)N 7a_200011217967_100102525003 [0,2,0,0,0,0|2,0,0]=4 10260 B13R0.300 C=CC(CCCC)OCCCC(=O)C 34a_200011215037_100000685027 [0,2,0,0,0,0|2,0,0]=4 10261 B13R0.300 C=CC(CCCC)OCCCC(=O)C 7a_200011215037_100011215641 [0,2,0,0,0,0|2,0,0]=4 10262 B13R0.300 C=CC(CCCC)OCCCC(=O)N 34a_200011215037_100102525003 [0,2,0,0,0,0|2,0,0]=4 10263 B13R0.300 C=CC(CCCC)OCCCC(=O)N 7a_200011215037_100102525003 [0,2,0,0,0,0|2,0,0]=4 10264 B13R0.300 CCCCC(CC)CCCCC(=O)C 1458a_100000070787_200012094884 [0,2,0,0,0,0|1,0,0]=3 10265 B13R0.300 CCCCC(CC)CNCCC(=O)N 2230a_100000209976_100000744528 [0,2,0,0,0,0|2,0,0]=4 10266 B13R0.300 CCCCC(CC)CNCCC(=O)N 269862a_100000740010_100011219736 [0,2,0,0,0,0|2,0,0]=4 10267 B13R0.300 CCCCC(CC)CNOCC(=O)O 269956a_100000106656_100000211942 [0,2,0,0,0,0|2,0,0]=4 10268 B13R0.300 CCCCC(CC)COCCC(=O)C 34a_100000759926_100000211942 [0,2,0,0,0,0|2,0,0]=4 10269 B13R0.300 CCCCC(CC)COCCC(=O)C 7a_100000210273_100000053229 [0,2,0,0,0,0|2,0,0]=4 10270 B13R0.300 CCCCC(CC)COCCC(=O)C 7a_100000759926_100000211942 [0,2,0,0,0,0|2,0,0]=4 10271 B13R0.300 CCCCC(CC)COCCC(=O)N 34a_100000210273_100000731001 [0,2,0,0,0,0|2,0,0]=4 10272 B13R0.300 CCCCC(CC)COCCC(=O)N 34a_100000757172_100000211942 [0,2,0,0,0,0|2,0,0]=4 10273 B13R0.300 CCCCC(CC)COCCC(=O)N 7a_100000210273_100000744528 [0,2,0,0,0,0|2,0,0]=4 10274 B13R0.300 CCCCC(CC)COCCC(=O)N 7a_100000757172_100000211942 [0,2,0,0,0,0|2,0,0]=4 10275 B13R0.300 CCCCC(CC)CSCCC(=O)C 62a_100000053229_100000211942 [0,2,0,0,0,0|2,0,0]=4 10276 B13R0.300 CCCCC(CC)CSCCC(=O)C 62a_100000211942_100000053229 [0,2,0,0,0,0|2,0,0]=4 10277 B13R0.300 CCCCC(CC)CSCCC(=O)N 62a_100000211942_100000744528 [0,2,0,0,0,0|2,0,0]=4 10278 B13R0.300 CCCCC(CC)CSCCC(=O)N 62a_100000744528_100000211942 [0,2,0,0,0,0|2,0,0]=4 10279 B13R0.300 CCCCC(CC)NCCCC(=O)N 34a_100000739312_200011216223 [0,2,0,0,0,0|2,0,0]=4 10280 B13R0.300 CCCCC(CC)OCCCC(=O)C 34a_100000759063_200011216223 [0,2,0,0,0,0|2,0,0]=4 10281 B13R0.300 CCCCC(CC)OCCCC(=O)C 34a_100011215227_100000685027 [0,2,0,0,0,0|2,0,0]=4 10282 B13R0.300 CCCCC(CC)OCCCC(=O)C 7a_100000759063_200011216223 [0,2,0,0,0,0|2,0,0]=4 10283 B13R0.300 CCCCC(CC)OCCCC(=O)C 7a_100011215227_100011215641 [0,2,0,0,0,0|2,0,0]=4 10284 B13R0.300 CCCCC(CC)OCCCC(=O)N 34a_100011215227_100102525003 [0,2,0,0,0,0|2,0,0]=4 10285 B13R0.300 CCCCC(CC)OCCCC(=O)N 7a_100011215227_100102525003 [0,2,0,0,0,0|2,0,0]=4 10286 B13R0.300 CCCCC(CC)SCCCC(=O)C 62a_100011215641_200011216223 [0,2,0,0,0,0|2,0,0]=4 10287 B13R0.300 CCCCC(CC)SCCCC(=O)C 62a_200011216223_100011215641 [0,2,0,0,0,0|2,0,0]=4 10288 B13R0.300 CCCCC(CC)SCCCC(=O)N 62a_100102525003_200011216223 [0,2,0,0,0,0|2,0,0]=4 10289 B13R0.300 CCCCC(CC)SCCCC(=O)N 62a_200011216223_100102525003 [0,2,0,0,0,0|2,0,0]=4 10290 B13R0.300 CCCCN(CC)CCCCC(=O)C 269982a_100000207695_100000735457 [0,2,0,0,0,0|2,0,0]=4 10291 B13R0.300 CCCC[C@@H](CO)NCCCC(=O)C 34a_100011934283_100000685027 [0,2,0,0,0,0|2,0,0]=4 10292 B13R0.300 CCCC[C@@H](CO)NCCCC(=O)N 34a_100011934283_100102525003 [0,2,0,0,0,0|2,0,0]=4 10293 B13R0.345 CCCCC(C)C(=O)CCCC(=O)C 1458a_100000725509_100011215641 [0,2,0,0,0,0|1,0,1]=4 10294 B13R0.345 CCCCC(C)C(=O)CCCC(=O)N 1458a_100000725509_100102525003 [0,2,0,0,0,0|1,0,1]=4 10295 B13R0.345 CCCCC(C)N(C)CCCC(=O)O 269956a_100000719178_200011215066 [0,2,0,0,0,0|1,0,0]=3 10296 B13R0.345 CCCCC(O)C(=O)CCCC(=O)C 1458a_100000720857_100011215641 [0,2,0,0,0,0|1,0,1]=4 10297 B13R0.345 CCCCC(O)C(=O)CCCC(=O)N 1458a_100000720857_100102525003 [0,2,0,0,0,0|1,0,1]=4 10298 B13R0.456 CCCCC(C)(C)COCCC(=O)C 7a_200011995781_100000053229 [0,2,0,0,0,0|2,0,0]=4 10299 B13R0.456 CCCCC(C)(C)COCCC(=O)N 7a_200011995781_100000744528 [0,2,0,0,0,0|2,0,0]=4 10300 B13R0.456 CCCCC(C)(C)OCCCC(=O)C 7a_100011219641_100011215641 [0,2,0,0,0,0|2,0,0]=4 10301 B13R0.456 CCCCC(C)(C)OCCCC(=O)N 7a_100011219641_100102525003 [0,2,0,0,0,0|2,0,0]=4 10302 B13R0.280 CCCCCCCCCNS(=O)(=O)C 40a_100000212291_100000738038 [0,2,0,0,0,0|1,0,1]=4 10303 B13R0.280 CCCCCCCCNCC(C)(C)O 2230a_100000751335_100000210759 [0,2,0,0,0,0|1,0,1]=4 10304 B13R0.280 CCCCCCCCNCC(C)(C)O 34a_100000229939_100000764493 [0,2,0,0,0,0|1,0,1]=4 10305 B13R0.280 CCCCCCCCNCS(=O)(=O)[O-] 34a_100000229939_100009817235 [0,2,0,0,0,0|1,0,1]=4 10306 B13R0.280 CCCCCCCCOCC(C)(C)O 34a_100000210232_100000764493 [0,2,0,0,0,0|1,0,1]=4 10307 B13R0.280 CCCCCCCCOCC(C)(C)O 7a_100000210232_100000764493 [0,2,0,0,0,0|1,0,1]=4 10308 B13R0.280 CCCCCCCCOCS(=O)(=O)[O-] 34a_100000210232_100009817235 [0,2,0,0,0,0|1,0,1]=4 10309 B13R0.280 CCCCCCCCSCC(C)(C)O 62a_100000210759_100000764493 [0,2,0,0,0,0|1,0,1]=4 10310 B13R0.280 CCCCCCCCSCC(C)(C)O 62a_100000764493_100000210317 [0,2,0,0,0,0|1,0,1]=4 10311 B13R0.280 CCCCCCCCSCS(=O)(=O)N 62a_100000210759_100000741382 [0,2,0,0,0,0|1,0,1]=4 10312 B13R0.280 CCCCCCCCSCS(=O)(=O)N 62a_100000741382_100000210317 [0,2,0,0,0,0|1,0,1]=4 10313 B13R0.280 CCCCCCCCSCS(=O)(=O)[O-] 62a_100000210759_100009817235 [0,2,0,0,0,0|1,0,1]=4 10314 B13R0.280 CCCCCCCCSCS(=O)(=O)[O-] 62a_100009817235_100000210317 [0,2,0,0,0,0|1,0,1]=4 10315 B13R0.280 CCCCCCCNCCC(C)(C)O 2230a_100000229938_100000702414 [0,2,0,0,0,0|1,0,1]=4 10316 B13R0.280 CCCCCCCNCCS(=O)(=O)C 2230a_100000229938_100000731031 [0,2,0,0,0,0|1,0,1]=4 10317 B13R0.280 CCCCCCCNCCS(=O)(=O)C 2230a_100000740961_100000210681 [0,2,0,0,0,0|1,0,1]=4 10318 B13R0.280 CCCCCCCNCCS(=O)(=O)C 34a_100000740961_100000210614 [0,2,0,0,0,0|1,0,1]=4 10319 B13R0.280 CCCCCCCNCCS(=O)(=O)N 2230a_100000738205_100000210681 [0,2,0,0,0,0|1,0,1]=4 10320 B13R0.280 CCCCCCCNCCS(=O)(=O)N 34a_100000738205_100000210614 [0,2,0,0,0,0|1,0,1]=4 10321 B13R0.280 CCCCCCCNCCS(=O)(=O)[O-] 2230a_100000229938_100000737633 [0,2,0,0,0,0|1,0,1]=4 10322 B13R0.280 CCCCCCCOCCC(C)(C)O 34a_100000210272_100000702414 [0,2,0,0,0,0|1,0,1]=4 10323 B13R0.280 CCCCCCCOCCC(C)(C)O 7a_100000210272_100000702414 [0,2,0,0,0,0|1,0,1]=4 10324 B13R0.280 CCCCCCCOCCS(=O)(=O)C 34a_100000210272_100000731031 [0,2,0,0,0,0|1,0,1]=4 10325 B13R0.280 CCCCCCCOCCS(=O)(=O)C 34a_100000211924_100000210614 [0,2,0,0,0,0|1,0,1]=4 10326 B13R0.280 CCCCCCCOCCS(=O)(=O)C 7a_100000210272_100000230027 [0,2,0,0,0,0|1,0,1]=4 10327 B13R0.280 CCCCCCCOCCS(=O)(=O)C 7a_100000211924_100000210614 [0,2,0,0,0,0|1,0,1]=4 10328 B13R0.280 CCCCCCCOCCS(=O)(=O)N 34a_100012334274_100000210614 [0,2,0,0,0,0|1,0,1]=4 10329 B13R0.280 CCCCCCCOCCS(=O)(=O)[O-] 34a_100000210272_100000762736 [0,2,0,0,0,0|1,0,1]=4 10330 B13R0.280 CCCCCCCSCCC(C)(C)O 62a_100000210614_100000702414 [0,2,0,0,0,0|1,0,1]=4 10331 B13R0.280 CCCCCCCSCCC(C)(C)O 62a_100000702414_100000210316 [0,2,0,0,0,0|1,0,1]=4 10332 B13R0.280 CCCCCCCSCCS(=O)(=O)C 62a_100000210614_100000230027 [0,2,0,0,0,0|1,0,1]=4 10333 B13R0.280 CCCCCCCSCCS(=O)(=O)C 62a_100000731031_100000210316 [0,2,0,0,0,0|1,0,1]=4 10334 B13R0.280 CCCCCCCSCCS(=O)(=O)[O-] 62a_100000210614_100000762736 [0,2,0,0,0,0|1,0,1]=4 10335 B13R0.280 CCCCCCCSCCS(=O)(=O)[O-] 62a_100000762736_100000210316 [0,2,0,0,0,0|1,0,1]=4 10336 B13R0.280 CCCCCCNCCCC(C)(C)O 2230a_100000210581_100009888830 [0,2,0,0,0,0|1,0,1]=4 10337 B13R0.280 CCCCCCNCCCS(=O)(=O)C 2230a_100000210581_100000754308 [0,2,0,0,0,0|1,0,1]=4 10338 B13R0.280 CCCCCCNCCCS(=O)(=O)C 2230a_100000742409_100000210314 [0,2,0,0,0,0|1,0,1]=4 10339 B13R0.280 CCCCCCNCCCS(=O)(=O)C 34a_100000742409_100000210314 [0,2,0,0,0,0|1,0,1]=4 10340 B13R0.280 CCCCCCNCCCS(=O)(=O)N 2230a_100000210581_100000750626 [0,2,0,0,0,0|1,0,1]=4 10341 B13R0.280 CCCCCCOCCCC(C)(C)O 34a_100000210259_100009888830 [0,2,0,0,0,0|1,0,1]=4 10342 B13R0.280 CCCCCCOCCCC(C)(C)O 7a_100000210259_100009888830 [0,2,0,0,0,0|1,0,1]=4 10343 B13R0.280 CCCCCCOCCCS(=O)(=O)C 34a_100000210259_100000754308 [0,2,0,0,0,0|1,0,1]=4 10344 B13R0.280 CCCCCCOCCCS(=O)(=O)C 34a_100000689940_100000210314 [0,2,0,0,0,0|1,0,1]=4 10345 B13R0.280 CCCCCCOCCCS(=O)(=O)C 7a_100000210259_100000754308 [0,2,0,0,0,0|1,0,1]=4 10346 B13R0.280 CCCCCCOCCCS(=O)(=O)C 7a_100000689940_100000210314 [0,2,0,0,0,0|1,0,1]=4 10347 B13R0.280 CCCCCCOCCCS(=O)(=O)N 34a_100000210259_100000750626 [0,2,0,0,0,0|1,0,1]=4 10348 B13R0.280 CCCCCCOCCCS(=O)(=O)N 7a_100000210259_100000750626 [0,2,0,0,0,0|1,0,1]=4 10349 B13R0.280 CCCCCCOCCCS(=O)(=O)[O-] 34a_100000210259_100009813499 [0,2,0,0,0,0|1,0,1]=4 10350 B13R0.280 CCCCCCSCCCC(C)(C)O 62a_100000210314_100009888830 [0,2,0,0,0,0|1,0,1]=4 10351 B13R0.280 CCCCCCSCCCC(C)(C)O 62a_100009888830_100000210757 [0,2,0,0,0,0|1,0,1]=4 10352 B13R0.280 CCCCCCSCCCS(=O)(=O)C 62a_100000210314_100000754308 [0,2,0,0,0,0|1,0,1]=4 10353 B13R0.280 CCCCCCSCCCS(=O)(=O)C 62a_100000754308_100000210757 [0,2,0,0,0,0|1,0,1]=4 10354 B13R0.280 CCCCCCSCCCS(=O)(=O)N 62a_100000210314_100000750626 [0,2,0,0,0,0|1,0,1]=4 10355 B13R0.280 CCCCCCSCCCS(=O)(=O)N 62a_100000750626_100000210757 [0,2,0,0,0,0|1,0,1]=4 10356 B13R0.280 CCCCCCSCCCS(=O)(=O)[O-] 62a_100000210314_100009813499 [0,2,0,0,0,0|1,0,1]=4 10357 B13R0.280 CCCCCCSCCCS(=O)(=O)[O-] 62a_100009813499_100000210757 [0,2,0,0,0,0|1,0,1]=4 10358 B13R0.280 CCCCNCCCCCC(C)(C)O 2230a_100000102301_100010402123 [0,2,0,0,0,0|1,0,1]=4 10359 B13R0.280 CCCCNCCCCCC(C)(C)O 7a_106832991798_100010402123 [0,2,0,0,0,0|1,0,1]=4 10360 B13R0.280 CCCCOCCCCCC(C)(C)O 34a_100000210227_100010402123 [0,2,0,0,0,0|1,0,1]=4 10361 B13R0.280 CCCCOCCCCCC(C)(C)O 7a_100000210227_100010402123 [0,2,0,0,0,0|1,0,1]=4 10362 B13R0.280 CCCCSCCCCCC(C)(C)O 62a_100000210211_100010402123 [0,2,0,0,0,0|1,0,1]=4 10363 B13R0.280 CCCCSCCCCCC(C)(C)O 62a_100010402123_100000210210 [0,2,0,0,0,0|1,0,1]=4 10364 B13R0.442 CC(=O)CCCCOCCC(C)(C)C 7a_100000765024_100000735457 [0,2,0,0,0,0|2,0,0]=4 10365 B13R0.442 CC(=O)CCCCSCCC(C)(C)C 62a_100000735457_100000755188 [0,2,0,0,0,0|2,0,0]=4 10366 B13R0.442 CC(=O)CCCCSCCC(C)(C)C 62a_100000755188_100000735457 [0,2,0,0,0,0|2,0,0]=4 10367 B13R0.442 CC(=O)CCCCSCCC(C)(C)O 62a_100000702414_100000735457 [0,2,0,0,0,0|2,0,0]=4 10368 B13R0.442 CC(=O)CCCCSCCC(C)(C)O 62a_100000735457_100000702414 [0,2,0,0,0,0|2,0,0]=4 10369 B13R0.442 CC(=O)CCCOCCCC(C)(C)O 34a_100000759063_100009888830 [0,2,0,0,0,0|2,0,0]=4 10370 B13R0.442 CC(=O)CCCOCCCC(C)(C)O 7a_100000759063_100009888830 [0,2,0,0,0,0|2,0,0]=4 10371 B13R0.442 CC(=O)CCCSCCCC(C)(C)O 62a_100009888830_100011215641 [0,2,0,0,0,0|2,0,0]=4 10372 B13R0.442 CC(=O)CCCSCCCC(C)(C)O 62a_100011215641_100009888830 [0,2,0,0,0,0|2,0,0]=4 10373 B13R0.442 CC(=O)COCCCCCC(C)(C)O 34a_100000211253_100010402123 [0,2,0,0,0,0|2,0,0]=4 10374 B13R0.442 CC(C)(C)CCNCCCCC(=O)N 34a_100000696515_100000755188 [0,2,0,0,0,0|2,0,0]=4 10375 B13R0.442 CC(C)(C)CCNCCOCC(=O)O 269956a_100000700818_100000755188 [0,2,0,0,0,0|2,0,0]=4 10376 B13R0.442 CC(C)(C)CCOCCCCC(=O)N 34a_100012022536_100000755188 [0,2,0,0,0,0|2,0,0]=4 10377 B13R0.442 CC(C)(C)CCOCCCCC(=O)N 7a_100012022536_100000755188 [0,2,0,0,0,0|2,0,0]=4 10378 B13R0.442 CC(C)(C)CNCCCCCC(=O)N 2230a_100000743828_100009817443 [0,2,0,0,0,0|2,0,0]=4 10379 B13R0.442 CC(C)(C)COCCCCCC(=O)N 34a_100000123541_100011219605 [0,2,0,0,0,0|2,0,0]=4 10380 B13R0.442 CC(C)(C)CSCCCCCC(=O)N 62a_100009817443_100011219605 [0,2,0,0,0,0|2,0,0]=4 10381 B13R0.442 CC(C)(C)CSCCCCCC(=O)N 62a_100011219605_100009817443 [0,2,0,0,0,0|2,0,0]=4 10382 B13R0.442 CC(C)(F)CNCCCCCC(=O)N 2230a_100020643315_100009817443 [0,2,0,0,0,0|2,0,0]=4 10383 B13R0.442 CC(C)(F)COCCCCCC(=O)N 34a_100000123541_100011997219 [0,2,0,0,0,0|2,0,0]=4 10384 B13R0.442 CC(C)(F)COCCCCCC(=O)N 34a_100000716592_100009817443 [0,2,0,0,0,0|2,0,0]=4 10385 B13R0.442 CC(C)(F)CSCCCCCC(=O)N 62a_100009817443_100011997219 [0,2,0,0,0,0|2,0,0]=4 10386 B13R0.442 CC(C)(F)CSCCCCCC(=O)N 62a_100011997219_100009817443 [0,2,0,0,0,0|2,0,0]=4 10387 B13R0.442 CC(C)(O)CCCCCNCC(=O)N 2230a_100000711301_100010402123 [0,2,0,0,0,0|2,0,0]=4 10388 B13R0.442 CC(C)(O)CCCCCNCC(=O)O 269956a_100016091260_100010402123 [0,2,0,0,0,0|1,0,0]=3 10389 B13R0.442 CC(C)(O)CCCCCSCC(=O)N 62a_100000747473_100010402123 [0,2,0,0,0,0|2,0,0]=4 10390 B13R0.442 CC(C)(O)CCCCCSCC(=O)N 62a_100010402123_100000747473 [0,2,0,0,0,0|2,0,0]=4 10391 B13R0.442 CC(C)(O)CCCCCSCC(=O)[O-] 62a_100010402123_100020667443 [0,2,0,0,0,0|1,0,1]=4 10392 B13R0.442 CC(C)(O)CCCCCSCC(=O)[O-] 62a_100020667443_100010402123 [0,2,0,0,0,0|1,0,1]=4 10393 B13R0.442 CC(C)(O)CCCNCCCC(=O)N 34a_100000739312_100009888830 [0,2,0,0,0,0|2,0,0]=4 10394 B13R0.442 CC(C)(O)CCCSCCCC(=O)N 62a_100009888830_100102525003 [0,2,0,0,0,0|2,0,0]=4 10395 B13R0.442 CC(C)(O)CCCSCCCC(=O)N 62a_100102525003_100009888830 [0,2,0,0,0,0|2,0,0]=4 10396 B13R0.442 CC(C)(O)CCNCCCCC(=O)N 34a_100000696515_100000702414 [0,2,0,0,0,0|2,0,0]=4 10397 B13R0.442 CC(C)(O)CCNCCOCC(=O)O 269956a_100000700818_100000702414 [0,2,0,0,0,0|2,0,0]=4 10398 B13R0.442 CC(C)(O)CCOCCCCC(=O)N 34a_100012022536_100000702414 [0,2,0,0,0,0|2,0,0]=4 10399 B13R0.442 CC(C)(O)CCOCCCCC(=O)N 7a_100012022536_100000702414 [0,2,0,0,0,0|2,0,0]=4 10400 B13R0.442 CC(C)(O)CNCCCCCC(=O)N 2230a_100000751335_100009817443 [0,2,0,0,0,0|2,0,0]=4 10401 B13R0.442 CC(C)(O)COCCCCCC(=O)N 34a_100000123541_100000764493 [0,2,0,0,0,0|2,0,0]=4 10402 B13R0.442 CC(C)(O)COCCCCCC(=O)N 7a_100000123541_100000764493 [0,2,0,0,0,0|2,0,0]=4 10403 B13R0.442 CC(C)(O)COCCCCCC(=O)[O-] 7a_100102619762_100000764493 [0,2,0,0,0,0|1,0,1]=4 10404 B13R0.442 CC(C)(O)CSCCCCCC(=O)N 62a_100000764493_100009817443 [0,2,0,0,0,0|2,0,0]=4 10405 B13R0.442 CC(C)(O)CSCCCCCC(=O)N 62a_100009817443_100000764493 [0,2,0,0,0,0|2,0,0]=4 10406 B13R0.442 CC(F)(F)COCCCCCC(=O)N 34a_100000068830_100009817443 [0,2,0,0,0,0|2,0,0]=4 10407 B13R0.442 C[N+](C)(C)CCCCCNCC(=O)O 269956a_100016091260_100009813293 [0,2,0,0,0,0|2,0,0]=4 10408 B13R0.442 O=C(O)CNCCCCCC(F)(F)F 269956a_100016091260_100010187589 [0,2,0,0,0,0|2,0,0]=4 10409 B13R0.88 C=C(C)CCOCCCC(C)CCC 34a_100011713154_100000730704 [0,2,0,0,0,0|2,0,0]=4 10410 B13R0.88 C=C(C)CCOCCCC(C)CCC 7a_100011713154_100000730704 [0,2,0,0,0,0|2,0,0]=4 10411 B13R0.88 CC(=O)CCCCOCC(C)CCN 34a_106354213184_100009817362 [0,2,0,0,0,0|2,0,0]=4 10412 B13R0.88 CC(CCBr)OCCCCCC(=O)N 34a_100012276601_100009817443 [0,2,0,0,0,0|2,0,0]=4 10413 B13R0.88 CC(CCO)OCCCCCC(=O)N 34a_100000123541_100009893172 [0,2,0,0,0,0|2,0,0]=4 10414 B13R0.88 CC(CCO)OCCCCCC(=O)N 7a_100000123541_100009893172 [0,2,0,0,0,0|2,0,0]=4 10415 B13R0.88 CC(CCO)OCCCCCC(=O)[O-] 7a_100102619762_100009893172 [0,2,0,0,0,0|1,0,1]=4 10416 B13R0.88 CC(CCO)SCCCCCC(=O)N 62a_100009817443_100009893172 [0,2,0,0,0,0|2,0,0]=4 10417 B13R0.88 CC(CCO)SCCCCCC(=O)N 62a_100009893172_100009817443 [0,2,0,0,0,0|2,0,0]=4 10418 B13R0.88 CCCC(=O)CCCCCCB(O)O 1458a_100000211992_100009817187 [0,2,0,0,0,0|1,0,1]=4 10419 B13R0.88 CCCC(=O)CCCCCNC(=O)C 1458a_100000183861_100000210303 [0,2,0,0,0,0|1,0,1]=4 10420 B13R0.88 CCCC(=O)CCCCCOC(=O)C 1458a_100000211992_100000033007 [0,2,0,0,0,0|1,0,1]=4 10421 B13R0.88 CCCC(=O)CNCCOCC(=O)O 269956a_100000700818_100000747444 [0,2,0,0,0,0|1,0,1]=4 10422 B13R0.88 CCCC(=O)COCCCCC(=O)N 7a_100012022536_100000747444 [0,2,0,0,0,0|1,0,1]=4 10423 B13R0.88 CCCC(=O)CSCCCCC(=O)C 62a_100000735457_100000747444 [0,2,0,0,0,0|1,0,1]=4 10424 B13R0.88 CCCC(=O)CSCCCCC(=O)C 62a_100000747444_100000735457 [0,2,0,0,0,0|1,0,1]=4 10425 B13R0.88 CCCC(C)CCCOCCC(=O)C 7a_100011713154_100000053229 [0,2,0,0,0,0|1,0,0]=3 10426 B13R0.88 CCCC(C)CCCOCCC(=O)N 34a_100011713154_100000731001 [0,2,0,0,0,0|1,0,0]=3 10427 B13R0.88 CCCC(C)CCCOCCC(=O)N 7a_100011713154_100000744528 [0,2,0,0,0,0|1,0,0]=3 10428 B13R0.88 CCCC(C)CCCOCCC(C)O 34a_100011713154_100012276601 [0,2,0,0,0,0|1,0,1]=4 10429 B13R0.88 CCCC(C)CCCOCCC(C)O 7a_100011713154_100012276601 [0,2,0,0,0,0|1,0,1]=4 10430 B13R0.88 CCCC(C)CCCOCOC(=O)C 34a_100011713154_100009813279 [0,2,0,0,0,0|2,0,0]=4 10431 B13R0.88 CCCC(C)CCOCCCC(=O)C 34a_100011217855_100000685027 [0,2,0,0,0,0|1,0,0]=3 10432 B13R0.88 CCCC(C)CCOCCCC(=O)C 7a_100011217855_100011215641 [0,2,0,0,0,0|1,0,0]=3 10433 B13R0.88 CCCC(C)CCOCCCC(=O)N 34a_100011217855_100102525003 [0,2,0,0,0,0|1,0,0]=3 10434 B13R0.88 CCCC(C)CCOCCCC(=O)N 7a_100011217855_100102525003 [0,2,0,0,0,0|1,0,0]=3 10435 B13R0.88 CCCC(C)CCOCCCC(C)O 34a_100011217855_200000718107 [0,2,0,0,0,0|1,0,1]=4 10436 B13R0.88 CCCC(C)CCOCCCC(C)O 7a_100011217855_200000718107 [0,2,0,0,0,0|1,0,1]=4 10437 B13R0.88 CCCC(C)CCOCCNC(=O)C 7a_100011217855_100000189650 [0,2,0,0,0,0|2,0,0]=4 10438 B13R0.88 CCCC(C)CCOCCNC(=O)N 7a_100011217855_200000034859 [0,2,0,0,0,0|2,0,0]=4 10439 B13R0.88 CCCC(C)CCOCCOC(=O)C 34a_100011217855_100009814007 [0,2,0,0,0,0|2,0,0]=4 10440 B13R0.88 CCCC(C)CCOCCOC(=O)C 7a_100011217855_100009814007 [0,2,0,0,0,0|2,0,0]=4 10441 B13R0.88 CCCC(C)CCOCCOC(=O)N 34a_100011217855_200011214921 [0,2,0,0,0,0|2,0,0]=4 10442 B13R0.88 CCCC(C)CCOCCOC(=O)N 7a_100011217855_200011214921 [0,2,0,0,0,0|2,0,0]=4 10443 B13R0.88 CCCC(C)CNCCCCC(=O)N 270004a_100000696515_100000243154 [0,2,0,0,0,0|1,0,0]=3 10444 B13R0.88 CCCC(C)CNCCCCC(=O)N 34a_100000696515_100011216630 [0,2,0,0,0,0|1,0,0]=3 10445 B13R0.88 CCCC(C)CNCCCNC(=O)C 270004a_100000736810_100000243154 [0,2,0,0,0,0|2,0,0]=4 10446 B13R0.88 CCCC(C)CNCCCNC(=O)C 34a_100000736810_100011216630 [0,2,0,0,0,0|2,0,0]=4 10447 B13R0.88 CCCC(C)CNCCOCC(=O)O 269956a_100000700818_100011216630 [0,2,0,0,0,0|1,0,0]=3 10448 B13R0.88 CCCC(C)COCCCCB(O)O 34a_100000688023_200009817182 [0,2,0,0,0,0|1,0,1]=4 10449 B13R0.88 CCCC(C)COCCCCB(O)O 7a_100000688023_200009817182 [0,2,0,0,0,0|1,0,1]=4 10450 B13R0.88 CCCC(C)COCCCCC(=O)C 34a_100000688023_100009817362 [0,2,0,0,0,0|1,0,0]=3 10451 B13R0.88 CCCC(C)COCCCCC(=O)C 7a_100000688023_100000735457 [0,2,0,0,0,0|1,0,0]=3 10452 B13R0.88 CCCC(C)COCCCCC(=O)N 34a_100012022536_100011216630 [0,2,0,0,0,0|1,0,0]=3 10453 B13R0.88 CCCC(C)COCCCCC(=O)N 7a_100012022536_100011216630 [0,2,0,0,0,0|1,0,0]=3 10454 B13R0.88 CCCC(C)COCCCC[N+](=O)[O-] 34a_200015379883_100011216630 [0,2,0,0,0,0|1,0,1]=4 10455 B13R0.88 CCCC(C)COCCCC[N+](=O)[O-] 7a_200015379883_100011216630 [0,2,0,0,0,0|1,0,1]=4 10456 B13R0.88 CCCC(C)COCCCNC(=O)C 34a_100000752032_100011216630 [0,2,0,0,0,0|2,0,0]=4 10457 B13R0.88 CCCC(C)COCCCOC(=O)C 34a_100000688023_100000042594 [0,2,0,0,0,0|2,0,0]=4 10458 B13R0.88 CCCC(C)COCCCOC(=O)C 7a_100000688023_100000042594 [0,2,0,0,0,0|2,0,0]=4 10459 B13R0.88 CCCC(C)COCCCSC(=O)C 34a_100000688023_100000038929 [0,2,0,0,0,0|2,0,0]=4 10460 B13R0.88 CCCC(C)COCCCSC(=O)C 7a_100000688023_100000038929 [0,2,0,0,0,0|2,0,0]=4 10461 B13R0.88 CCCC(C)COCCOCC(=O)N 34a_100000688023_100000076697 [0,2,0,0,0,0|2,0,0]=4 10462 B13R0.88 CCCC(C)COCCOCC(=O)N 7a_100000688023_100000076697 [0,2,0,0,0,0|2,0,0]=4 10463 B13R0.88 CCCC(C)CSCCCCB(O)O 62a_100011216630_200009817182 [0,2,0,0,0,0|1,0,1]=4 10464 B13R0.88 CCCC(C)CSCCCCB(O)O 62a_200009817182_100011216630 [0,2,0,0,0,0|1,0,1]=4 10465 B13R0.88 CCCC(C)CSCCCCC(=O)C 62a_100000735457_100011216630 [0,2,0,0,0,0|1,0,0]=3 10466 B13R0.88 CCCC(C)CSCCCCC(=O)C 62a_100011216630_100000735457 [0,2,0,0,0,0|1,0,0]=3 10467 B13R0.88 CCCC(C)CSCCCOC(=O)C 62a_100000042594_100011216630 [0,2,0,0,0,0|2,0,0]=4 10468 B13R0.88 CCCC(C)CSCCCOC(=O)C 62a_100011216630_100000042594 [0,2,0,0,0,0|2,0,0]=4 10469 B13R0.88 CCCC(C)CSCCCSC(=O)C 62a_100000038929_100011216630 [0,2,0,0,0,0|2,0,0]=4 10470 B13R0.88 CCCC(C)CSCCCSC(=O)C 62a_100011216630_100000038929 [0,2,0,0,0,0|2,0,0]=4 10471 B13R0.88 CCCC(C)CSCCOCC(=O)N 62a_100000076697_100011216630 [0,2,0,0,0,0|2,0,0]=4 10472 B13R0.88 CCCC(C)CSCCOCC(=O)N 62a_100011216630_100000076697 [0,2,0,0,0,0|2,0,0]=4 10473 B13R0.88 CCCC(C)NCCCCCB(O)O 2230a_100000741246_200009817188 [0,2,0,0,0,0|1,0,1]=4 10474 B13R0.88 CCCC(C)NCCCCCC(=O)N 2230a_100000741246_100009817443 [0,2,0,0,0,0|1,0,0]=3 10475 B13R0.88 CCCC(C)NCCCCNC(=O)C 2230a_200011368371_100000766640 [0,2,0,0,0,0|2,0,0]=4 10476 B13R0.88 CCCC(C)NCCCCNC(=O)C 270004a_200011368371_100000211909 [0,2,0,0,0,0|2,0,0]=4 10477 B13R0.88 CCCC(C)NCCCCNC(=O)C 34a_200011368371_100000766640 [0,2,0,0,0,0|2,0,0]=4 10478 B13R0.88 CCCC(C)NCCCCSC(=O)C 2230a_100000741246_200010402107 [0,2,0,0,0,0|2,0,0]=4 10479 B13R0.88 CCCC(C)OCCCCCB(O)O 34a_100000764384_200009817188 [0,2,0,0,0,0|1,0,1]=4 10480 B13R0.88 CCCC(C)OCCCCCB(O)O 7a_100000764384_200009817188 [0,2,0,0,0,0|1,0,1]=4 10481 B13R0.88 CCCC(C)OCCCCCC(=O)N 34a_100000123541_100000766640 [0,2,0,0,0,0|1,0,0]=3 10482 B13R0.88 CCCC(C)OCCCCCC(=O)N 34a_100000764384_100009817443 [0,2,0,0,0,0|1,0,0]=3 10483 B13R0.88 CCCC(C)OCCCCCC(=O)N 7a_100000123541_100000766640 [0,2,0,0,0,0|1,0,0]=3 10484 B13R0.88 CCCC(C)OCCCCCC(=O)N 7a_100000764384_100009817443 [0,2,0,0,0,0|1,0,0]=3 10485 B13R0.88 CCCC(C)OCCCCCC(=O)[O-] 7a_100102619762_100000766640 [0,2,0,0,0,0|0,0,1]=3 10486 B13R0.88 CCCC(C)OCCCCOC(=O)C 34a_100000073216_100000766640 [0,2,0,0,0,0|2,0,0]=4 10487 B13R0.88 CCCC(C)OCCCCOC(=O)C 34a_100000764384_100000033659 [0,2,0,0,0,0|2,0,0]=4 10488 B13R0.88 CCCC(C)OCCCCOC(=O)C 7a_100000073216_100000766640 [0,2,0,0,0,0|2,0,0]=4 10489 B13R0.88 CCCC(C)OCCCCOC(=O)C 7a_100000764384_100000033659 [0,2,0,0,0,0|2,0,0]=4 10490 B13R0.88 CCCC(C)OCCCCSC(=O)C 34a_100000764384_200010402107 [0,2,0,0,0,0|2,0,0]=4 10491 B13R0.88 CCCC(C)OCCCCSC(=O)C 7a_100000764384_200010402107 [0,2,0,0,0,0|2,0,0]=4 10492 B13R0.88 CCCC(C)SCCCCCB(O)O 62a_100000766640_200009817188 [0,2,0,0,0,0|1,0,1]=4 10493 B13R0.88 CCCC(C)SCCCCCB(O)O 62a_200009817188_100000766640 [0,2,0,0,0,0|1,0,1]=4 10494 B13R0.88 CCCC(C)SCCCCCC(=O)N 62a_100000766640_100009817443 [0,2,0,0,0,0|1,0,0]=3 10495 B13R0.88 CCCC(C)SCCCCCC(=O)N 62a_100009817443_100000766640 [0,2,0,0,0,0|1,0,0]=3 10496 B13R0.88 CCCC(C)SCCCCOC(=O)C 62a_100000033659_100000766640 [0,2,0,0,0,0|2,0,0]=4 10497 B13R0.88 CCCC(C)SCCCCOC(=O)C 62a_100000766640_100000033659 [0,2,0,0,0,0|2,0,0]=4 10498 B13R0.88 CCCC(C)SCCCCSC(=O)C 62a_100000766640_200010402107 [0,2,0,0,0,0|2,0,0]=4 10499 B13R0.88 CCCC(C)SCCCCSC(=O)C 62a_200010402107_100000766640 [0,2,0,0,0,0|2,0,0]=4 10500 B13R0.88 CCCN(C)CCCCCCB(O)O 2230a_100000747261_100009817187 [0,2,0,0,0,0|1,0,1]=4 10501 B13R0.88 CCCN(C)CCCCCCB(O)O 269982a_100000747261_100009817187 [0,2,0,0,0,0|1,0,1]=4 10502 B13R0.88 CCCN(C)CCCCCOC(=O)C 2230a_100000747261_100009813381 [0,2,0,0,0,0|2,0,0]=4 10503 B13R0.88 CCCN(C)CCCCCOC(=O)C 269982a_100000747261_100000033007 [0,2,0,0,0,0|2,0,0]=4 10504 B13R0.88 CCC[C@H](N)CCOCCCC(=O)C 34a_100015193777_100000685027 [0,2,0,0,0,0|1,0,0]=3 10505 B13R0.88 CCC[C@H](N)CCOCCCC(=O)N 34a_100015193777_100102525003 [0,2,0,0,0,0|1,0,0]=3 10506 B13R0.88 CCC[C@H](N)CCOCCCC(C)O 34a_100015193777_200000718107 [0,2,0,0,0,0|1,0,1]=4 10507 B13R0.88 CCC[C@H](N)CCOCCOC(=O)C 34a_100015193777_100009814007 [0,2,0,0,0,0|2,0,0]=4 10508 B13R0.88 CCC[C@H](N)CCOCCOC(=O)N 34a_100015193777_200011214921 [0,2,0,0,0,0|2,0,0]=4 10509 B13R0.88 CCC[C@H](N)COCCCCB(O)O 34a_100000732646_200009817182 [0,2,0,0,0,0|1,0,1]=4 10510 B13R0.88 CCC[C@H](N)COCCCCC(=O)C 34a_100000732646_100009817362 [0,2,0,0,0,0|1,0,0]=3 10511 B13R0.88 CCC[C@H](N)COCCCOC(=O)C 34a_100000732646_100000042594 [0,2,0,0,0,0|2,0,0]=4 10512 B13R0.88 CCC[C@H](N)COCCCSC(=O)C 34a_100000732646_100000038929 [0,2,0,0,0,0|2,0,0]=4 10513 B13R0.88 CCC[C@H](N)COCCOCC(=O)N 34a_100000732646_100000076697 [0,2,0,0,0,0|2,0,0]=4 10514 B13R0.88 CCOC(=O)CCCCCCC(=O)C 1458a_100000031895_200000210301 [0,2,0,0,0,0|1,0,1]=4 10515 B13R0.88 CCOC(=O)CCCCCCC(=O)C 1458a_100000070787_100009814379 [0,2,0,0,0,0|1,0,1]=4 10516 B13R0.88 CCOC(=O)CCCCCCC(=O)[13CH3] 1458a_100000031895_200025704644 [0,2,0,0,0,0|1,0,1]=4 10517 B13R0.88 CCOC(=O)CCCCNCC(=O)O 269956a_100016091260_100000750268 [0,2,0,0,0,0|1,0,1]=4 10518 B13R0.88 COCC(C)OCCCCCC(=O)N 34a_100000123541_100000765312 [0,2,0,0,0,0|2,0,0]=4 10519 B13R0.88 COCC(C)OCCCCCC(=O)N 7a_100000123541_100000765312 [0,2,0,0,0,0|2,0,0]=4 10520 B13R0.88 COCC(C)OCCCCCC(=O)[O-] 7a_100102619762_100000765312 [0,2,0,0,0,0|1,0,1]=4 10521 B13R0.88 COCC(C)SCCCCCC(=O)N 62a_100000765312_100009817443 [0,2,0,0,0,0|2,0,0]=4 10522 B13R0.88 COCC(C)SCCCCCC(=O)N 62a_100009817443_100000765312 [0,2,0,0,0,0|2,0,0]=4 10523 B13R0.88 COCC(N)COCCCCC(=O)C 34a_100000724102_100009817362 [0,2,0,0,0,0|2,0,0]=4 10524 B13R0.88 COCC(O)CNCCCCC(=O)C 34a_100000756049_100009817362 [0,2,0,0,0,0|2,0,0]=4 10525 B13R0.88 COCC(O)CNCCCCC(=O)N 34a_100000696515_100011215053 [0,2,0,0,0,0|2,0,0]=4 10526 B13R0.88 COCC(O)CNCCOCC(=O)O 269956a_100000700818_100011215053 [0,2,0,0,0,0|2,0,0]=4 10527 B13R0.88 COCC(O)COCCCCC(=O)N 34a_100012022536_100011215053 [0,2,0,0,0,0|2,0,0]=4 10528 B13R0.88 COCC(O)COCCCCC(=O)N 7a_100012022536_100011215053 [0,2,0,0,0,0|2,0,0]=4 10529 B13R0.88 COCC(O)CSCCCCC(=O)C 62a_100000735457_100011215053 [0,2,0,0,0,0|2,0,0]=4 10530 B13R0.88 COCC(O)CSCCCCC(=O)C 62a_100011215053_100000735457 [0,2,0,0,0,0|2,0,0]=4 10531 B13R0.88 COC[C@@H](C)NCCCCCC(=O)N 2230a_100000764878_100009817443 [0,2,0,0,0,0|2,0,0]=4 10532 B13R0.88 COC[C@@H](C)OCCCCCC(=O)N 34a_100011934205_100009817443 [0,2,0,0,0,0|2,0,0]=4 10533 B13R0.88 C[C@H](CCO)NCCCCCC(=O)N 2230a_100000706166_100009817443 [0,2,0,0,0,0|2,0,0]=4 10534 B13R0.88 C[C@H](CCO)NCCCCCC(=O)N 34a_100000706166_100009817443 [0,2,0,0,0,0|2,0,0]=4 10535 B13R0.101 CCC(C)C(=O)CCCCCC(=O)N 1458a_100011192722_100009817443 [0,2,0,0,0,0|1,0,1]=4 10536 B13R0.101 CCC(C)C(C)NCCCCC(=O)N 269862a_100000696515_100000210599 [0,2,0,0,0,0|2,0,0]=4 10537 B13R0.101 CCC(C)C(C)NCCCCC(=O)N 270004a_100000696515_100000210599 [0,2,0,0,0,0|2,0,0]=4 10538 B13R0.101 CCC(C)C(C)OCCCCC(=O)C 7a_100011215189_100000735457 [0,2,0,0,0,0|2,0,0]=4 10539 B13R0.101 CCC(C)N(C)CCCCCC(=O)N 2230a_100000741768_100009817443 [0,2,0,0,0,0|2,0,0]=4 10540 B13R0.101 CCC(C)N(C)CCCCCC(=O)N 269982a_100000741768_100009817443 [0,2,0,0,0,0|2,0,0]=4 10541 B13R0.101 CCC(O)C(=O)CCCCCC(=O)N 1458a_100011196387_100009817443 [0,2,0,0,0,0|1,0,1]=4 10542 B13R0.180 CC(=O)C(C)COCCCCC(C)C 34a_100000032740_100011216152 [0,2,0,0,0,0|2,0,0]=4 10543 B13R0.180 CC(=O)C(C)COCCCCC(C)C 7a_100000032740_100011216152 [0,2,0,0,0,0|2,0,0]=4 10544 B13R0.180 CC(=O)C(C)NCCCCCC(C)C 2230a_100011290863_100009814033 [0,2,0,0,0,0|2,0,0]=4 10545 B13R0.180 CC(=O)C(C)OCCCCCC(C)C 34a_100000212229_100000210682 [0,2,0,0,0,0|2,0,0]=4 10546 B13R0.180 CC(=O)C(C)OCCCCCC(C)C 7a_100011995859_100000179758 [0,2,0,0,0,0|2,0,0]=4 10547 B13R0.180 CC(=O)C(C)SCCCCCC(C)C 62a_100000210682_100009814033 [0,2,0,0,0,0|2,0,0]=4 10548 B13R0.180 CC(=O)C(C)SCCCCCC(C)C 62a_100009814033_100000210682 [0,2,0,0,0,0|2,0,0]=4 10549 B13R0.180 CC(=O)CCCCNCC(C)C(=O)O 269956a_100000749485_100000735457 [0,2,0,0,0,0|1,0,1]=4 10550 B13R0.180 CC(=O)CCCCNCC(F)C(=O)O 269956a_100000084737_100000735457 [0,2,0,0,0,0|1,0,1]=4 10551 B13R0.180 CC(=O)CCCCNCC(O)C(C)C 34a_100000759067_100009817362 [0,2,0,0,0,0|2,0,0]=4 10552 B13R0.180 CC(=O)CCCCOC[C@H](N)C(C)C 34a_100011830312_100009817362 [0,2,0,0,0,0|2,0,0]=4 10553 B13R0.180 CC(=O)CCCOCCC(N)C(C)C 34a_100161115045_100000685027 [0,2,0,0,0,0|2,0,0]=4 10554 B13R0.180 CC(C)C(C)NCCCCCC(=O)N 2230a_100000211541_100009817443 [0,2,0,0,0,0|2,0,0]=4 10555 B13R0.180 CC(C)C(C)OCCCCCC(=O)N 7a_100000748068_100009817443 [0,2,0,0,0,0|2,0,0]=4 10556 B13R0.180 CC(C)C(N)CCOCCCC(=O)N 34a_100161115045_100102525003 [0,2,0,0,0,0|2,0,0]=4 10557 B13R0.180 CC(C)CCCCCNC(C)C(=O)N 2230a_100011290863_100000702099 [0,2,0,0,0,0|2,0,0]=4 10558 B13R0.180 CC(C)CCCCCNC(C)C(=O)N 34a_100011290863_100000702099 [0,2,0,0,0,0|2,0,0]=4 10559 B13R0.180 CC(C)CCCCCNC(F)C(=O)N 2230a_100011290863_100009813875 [0,2,0,0,0,0|2,0,0]=4 10560 B13R0.180 CC(C)CCCCCNC(F)C(=O)N 34a_100011290863_100009813875 [0,2,0,0,0,0|2,0,0]=4 10561 B13R0.180 CC(C)CCCCCNC(F)C(=O)[O-] 34a_100011290863_100020610796 [0,2,0,0,0,0|1,0,1]=4 10562 B13R0.180 CC(C)CCCCCN[C@@H](C)C(=O)O 269956a_100000743915_100000210682 [0,2,0,0,0,0|1,0,0]=3 10563 B13R0.180 CC(C)CCCCCN[C@H](C)C(=O)N 2230a_100000119354_100000210682 [0,2,0,0,0,0|2,0,0]=4 10564 B13R0.180 CC(C)CCCCCN[C@H](C)C(=O)N 34a_100000119354_100000210682 [0,2,0,0,0,0|2,0,0]=4 10565 B13R0.180 CC(C)CCCCCOC(C)C(=O)N 34a_100011995859_100000702099 [0,2,0,0,0,0|2,0,0]=4 10566 B13R0.180 CC(C)CCCCCOC(C)C(=O)N 7a_100011995859_100000702099 [0,2,0,0,0,0|2,0,0]=4 10567 B13R0.180 CC(C)CCCCCOC(F)C(=O)N 34a_100011995859_100009813875 [0,2,0,0,0,0|2,0,0]=4 10568 B13R0.180 CC(C)CCCCCOC(F)C(=O)N 7a_100011995859_100009813875 [0,2,0,0,0,0|2,0,0]=4 10569 B13R0.180 CC(C)CCCCCOC(F)C(=O)[O-] 34a_100011995859_100020610796 [0,2,0,0,0,0|1,0,1]=4 10570 B13R0.180 CC(C)CCCCCO[C@@H](C)C(=O)[O-] 7a_217856618621_100000210682 [0,2,0,0,0,0|1,0,1]=4 10571 B13R0.180 CC(C)CCCCCO[C@H](C)C(=O)N 34a_100000731257_100000210682 [0,2,0,0,0,0|2,0,0]=4 10572 B13R0.180 CC(C)CCCCCO[C@H](C)C(=O)N 7a_100000731257_100000210682 [0,2,0,0,0,0|2,0,0]=4 10573 B13R0.180 CC(C)CCCCCSC(C)C(=O)N 62a_100000210682_100000702099 [0,2,0,0,0,0|2,0,0]=4 10574 B13R0.180 CC(C)CCCCCSC(C)C(=O)N 62a_100000702099_100000210682 [0,2,0,0,0,0|2,0,0]=4 10575 B13R0.180 CC(C)CCCCCSC(F)C(=O)N 62a_100000210682_100009813875 [0,2,0,0,0,0|2,0,0]=4 10576 B13R0.180 CC(C)CCCCCSC(F)C(=O)N 62a_100009813875_100000210682 [0,2,0,0,0,0|2,0,0]=4 10577 B13R0.180 CC(C)CCCCCSC(F)C(=O)[O-] 62a_100000210682_100020610796 [0,2,0,0,0,0|1,0,1]=4 10578 B13R0.180 CC(C)CCCCCSC(F)C(=O)[O-] 62a_100020610796_100000210682 [0,2,0,0,0,0|1,0,1]=4 10579 B13R0.180 CC(C)CCCCNCC(C)C(=O)O 269956a_100000749485_100011216152 [0,2,0,0,0,0|1,0,0]=3 10580 B13R0.180 CC(C)CCCCNCC(F)C(=O)O 269956a_100000084737_100011216152 [0,2,0,0,0,0|1,0,0]=3 10581 B13R0.180 CC(C)CCCCOC[C@H](N)C(=O)N 34a_100000729942_100011216152 [0,2,0,0,0,0|2,0,0]=4 10582 B13R0.180 CC(CNCCCCN(C)C)C(=O)O 269956a_100000749485_100000690147 [0,2,0,0,0,0|2,0,0]=4 10583 B13R0.180 CN(C)CCCCNCC(F)C(=O)O 269956a_100000084737_100000690147 [0,2,0,0,0,0|2,0,0]=4 10584 B13R0.201 CCC(=O)CCCCCCC(=O)OC 1458a_100000036694_100000210202 [0,2,0,0,0,0|0,0,1]=3 10585 B13R0.201 CCC(=O)CCCCCCC(=O)OC 1458a_100000210414_100009815986 [0,2,0,0,0,0|0,0,1]=3 10586 B13R0.201 CCC(=O)COCCCCC(=O)OC 34a_100000725409_100000204269 [0,2,0,0,0,0|1,0,1]=4 10587 B13R0.201 CCC(=O)COCCCCC(=O)OC 7a_100000059025_100000747405 [0,2,0,0,0,0|1,0,1]=4 10588 B13R0.201 CCC(=O)CSCCCCC(=O)OC 62a_100000204269_100000747405 [0,2,0,0,0,0|1,0,1]=4 10589 B13R0.201 CCC(=O)CSCCCCC(=O)OC 62a_100000747405_100000204269 [0,2,0,0,0,0|1,0,1]=4 10590 B13R0.201 CCC(=O)NCCCCCC(=O)OC 188690a_100000184999_100000210414 [0,2,0,0,0,0|1,0,1]=4 10591 B13R0.201 CCC(C)CCCOCCC(=O)NC 7a_100011216074_100000737683 [0,2,0,0,0,0|2,0,0]=4 10592 B13R0.201 CCC(C)CCCOCCC(=O)OC 7a_100011216074_100000204255 [0,2,0,0,0,0|1,0,0]=3 10593 B13R0.201 CCC(C)CCNCCCC(=O)NC 2230a_100020591266_100000741757 [0,2,0,0,0,0|2,0,0]=4 10594 B13R0.201 CCC(C)CCNCCCC(=O)OC 2230a_100020591266_100011218270 [0,2,0,0,0,0|1,0,0]=3 10595 B13R0.201 CCC(C)CCOCCCC(=O)NC 7a_100011215188_100000741757 [0,2,0,0,0,0|2,0,0]=4 10596 B13R0.201 CCC(C)CCOCCCC(=O)OC 7a_100011215188_100011218270 [0,2,0,0,0,0|1,0,0]=3 10597 B13R0.201 CCC(C)CNCCCCC(=O)OC 2230a_100020588543_100000204269 [0,2,0,0,0,0|1,0,0]=3 10598 B13R0.201 CCC(C)CNCCOCC(=O)OC 2230a_100020588543_100000090808 [0,2,0,0,0,0|2,0,0]=4 10599 B13R0.201 CCC(C)COCCCCC(=O)OC 34a_100000059025_100000748023 [0,2,0,0,0,0|1,0,0]=3 10600 B13R0.201 CCC(C)COCCCCC(=O)OC 7a_100000059025_100000748023 [0,2,0,0,0,0|1,0,0]=3 10601 B13R0.201 CCC(C)CSCCCCC(=O)OC 62a_100000204269_100000748023 [0,2,0,0,0,0|1,0,0]=3 10602 B13R0.201 CCC(C)CSCCCCC(=O)OC 62a_100000748023_100000204269 [0,2,0,0,0,0|1,0,0]=3 10603 B13R0.201 CCC(C)CSCCOCC(=O)OC 62a_100000090808_100000748023 [0,2,0,0,0,0|2,0,0]=4 10604 B13R0.201 CCC(C)CSCCOCC(=O)OC 62a_100000748023_100000090808 [0,2,0,0,0,0|2,0,0]=4 10605 B13R0.201 CCC(C)NCCCCCC(=O)OC 2230a_100000209981_100009816466 [0,2,0,0,0,0|1,0,0]=3 10606 B13R0.201 CCC(C)OCCCCCC(=O)OC 34a_100000074720_100011215416 [0,2,0,0,0,0|1,0,0]=3 10607 B13R0.201 CCC(C)OCCCCCC(=O)OC 7a_100000074720_100000758301 [0,2,0,0,0,0|1,0,0]=3 10608 B13R0.201 CCC(C)OCCCCCC(=O)OC 7a_100000210228_100009816466 [0,2,0,0,0,0|1,0,0]=3 10609 B13R0.201 CCC(C)SCCCCCC(=O)OC 62a_100000758301_100009816466 [0,2,0,0,0,0|1,0,0]=3 10610 B13R0.201 CCC(C)SCCCCCC(=O)OC 62a_100009816466_100000758301 [0,2,0,0,0,0|1,0,0]=3 10611 B13R0.201 CCC(O)CNCCCCC(=O)OC 2230a_100011218483_100000204269 [0,2,0,0,0,0|1,0,0]=3 10612 B13R0.201 CCC(O)CNCCOCC(=O)OC 2230a_100011218483_100000090808 [0,2,0,0,0,0|2,0,0]=4 10613 B13R0.201 CCC(O)COCCCCC(=O)OC 34a_100000059025_100011218378 [0,2,0,0,0,0|1,0,0]=3 10614 B13R0.201 CCC(O)COCCCCC(=O)OC 7a_100000059025_100011218378 [0,2,0,0,0,0|1,0,0]=3 10615 B13R0.201 CCC(O)CSCCCCC(=O)OC 62a_100000204269_100011218378 [0,2,0,0,0,0|1,0,0]=3 10616 B13R0.201 CCC(O)CSCCCCC(=O)OC 62a_100011218378_100000204269 [0,2,0,0,0,0|1,0,0]=3 10617 B13R0.201 CCC(O)CSCCOCC(=O)OC 62a_100000090808_100011218378 [0,2,0,0,0,0|2,0,0]=4 10618 B13R0.201 CCC(O)CSCCOCC(=O)OC 62a_100011218378_100000090808 [0,2,0,0,0,0|2,0,0]=4 10619 B13R0.201 CCN(C)CCCCCCC(=O)OC 2230a_100000225621_100009815986 [0,2,0,0,0,0|1,0,0]=3 10620 B13R0.201 CCN(C)CCCCCCC(=O)OC 269982a_100000225621_100009815986 [0,2,0,0,0,0|1,0,0]=3 10621 B13R0.201 CCN(C)CCCSCCC(=O)OC 62a_100000204255_100015186262 [0,2,0,0,0,0|2,0,0]=4 10622 B13R0.201 CC[C@H](C)COCCCCC(=O)OC 34a_100000059025_100009816398 [0,2,0,0,0,0|1,0,0]=3 10623 B13R0.201 CC[C@H](C)COCCCCC(=O)OC 7a_100000059025_100009816398 [0,2,0,0,0,0|1,0,0]=3 10624 B13R0.201 CC[C@H](C)COCCCCC(=O)OC 7a_100009816381_100000204269 [0,2,0,0,0,0|1,0,0]=3 10625 B13R0.201 CC[C@H](C)COCCOCC(=O)OC 7a_100009816381_100000090808 [0,2,0,0,0,0|2,0,0]=4 10626 B13R0.201 CC[C@H](C)CSCCCCC(=O)OC 62a_100000204269_100009816398 [0,2,0,0,0,0|1,0,0]=3 10627 B13R0.201 CC[C@H](C)CSCCCCC(=O)OC 62a_100009816398_100000204269 [0,2,0,0,0,0|1,0,0]=3 10628 B13R0.201 CC[C@H](C)CSCCOCC(=O)OC 62a_100000090808_100009816398 [0,2,0,0,0,0|2,0,0]=4 10629 B13R0.201 CC[C@H](C)CSCCOCC(=O)OC 62a_100009816398_100000090808 [0,2,0,0,0,0|2,0,0]=4 10630 B13R0.201 CNC(=O)CCCCCCC(=O)OC 11a_106832991635_100000036694 [0,2,0,0,0,0|1,0,1]=4 10631 B13R0.201 CNC(=O)CCCCCCC(=O)OC 1626a_100102657272_100000036694 [0,2,0,0,0,0|1,0,1]=4 10632 B13R0.201 CNC(=O)CCCCCCC(=O)OC 240690a_100102657272_100000036694 [0,2,0,0,0,0|1,0,1]=4 10633 B13R0.201 COC(=O)CCCCCCC(=O)CF 1458a_100000036694_100015361967 [0,2,0,0,0,0|1,0,1]=4 10634 B13R0.201 COC(=O)CCCCCCC(=O)CO 1458a_100000210174_100009815986 [0,2,0,0,0,0|1,0,1]=4 10635 B13R0.201 COC(=O)CCCCCN[C@H](C)CO 2230a_100000737577_100009816466 [0,2,0,0,0,0|2,0,0]=4 10636 B13R0.201 COC(=O)CCCCCOC(C)CF 34a_100016041109_100009816466 [0,2,0,0,0,0|2,0,0]=4 10637 B13R0.201 COC(=O)CCCCCOC(C)CF 7a_100016041109_100009816466 [0,2,0,0,0,0|2,0,0]=4 10638 B13R0.201 COC(=O)CCCCCOC(C)CN 34a_100000210904_100009816466 [0,2,0,0,0,0|2,0,0]=4 10639 B13R0.201 COC(=O)CCCCCOC(C)CO 34a_100000074720_100012180447 [0,2,0,0,0,0|2,0,0]=4 10640 B13R0.201 COC(=O)CCCCCOC(C)CO 7a_100000074720_100012180447 [0,2,0,0,0,0|2,0,0]=4 10641 B13R0.201 COC(=O)CCCCCSC(C)CO 62a_100012180447_100009816466 [0,2,0,0,0,0|2,0,0]=4 10642 B13R0.201 COC(=O)CCCCCSC(C)OC 62a_100009816466_100009879195 [0,2,0,0,0,0|2,0,0]=4 10643 B13R0.201 COC(=O)CCCCCSC(C)OC 62a_100009879195_100009816466 [0,2,0,0,0,0|2,0,0]=4 10644 B13R0.201 COC(=O)CCCCCS[C@H](C)CO 62a_100009816466_100016084084 [0,2,0,0,0,0|2,0,0]=4 10645 B13R0.201 COC(=O)CCCCCS[C@H](C)CO 62a_100016084084_100009816466 [0,2,0,0,0,0|2,0,0]=4 10646 B13R0.201 COC(=O)CCCCNCC(C)CO 34a_100000744482_100000204269 [0,2,0,0,0,0|2,0,0]=4 10647 B13R0.201 COC(=O)CCCCNC[C@@H](C)OC 2230a_100020591295_100000204269 [0,2,0,0,0,0|2,0,0]=4 10648 B13R0.201 COC(=O)CCCCNC[C@@H](F)CO 34a_100015665980_100000204269 [0,2,0,0,0,0|2,0,0]=4 10649 B13R0.201 COC(=O)CCCCNC[C@H](O)CO 2230a_100020644852_100000204269 [0,2,0,0,0,0|2,0,0]=4 10650 B13R0.201 COC(=O)CCCCOCC(C)CN 34a_100000744482_100000204269 [0,2,0,0,0,0|2,0,0]=4 10651 B13R0.201 COC(=O)CCCCOCC(C)OC 34a_100000690652_100000204269 [0,2,0,0,0,0|2,0,0]=4 10652 B13R0.201 COC(=O)CCCCOCC(Cl)CCl 34a_100000033668_100000204269 [0,2,0,0,0,0|2,0,0]=4 10653 B13R0.201 COC(=O)CCCCOCC(O)CO 34a_100000059025_100011219619 [0,2,0,0,0,0|2,0,0]=4 10654 B13R0.201 COC(=O)CCCCOCC(O)CO 7a_100000059025_100011219619 [0,2,0,0,0,0|2,0,0]=4 10655 B13R0.201 COC(=O)CCCCOC[C@@H](C)CO 34a_100000059025_100000059175 [0,2,0,0,0,0|2,0,0]=4 10656 B13R0.201 COC(=O)CCCCOC[C@@H](C)CO 7a_100000059025_100000059175 [0,2,0,0,0,0|2,0,0]=4 10657 B13R0.201 COC(=O)CCCCOC[C@@H](O)CF 34a_100000059025_100015614560 [0,2,0,0,0,0|2,0,0]=4 10658 B13R0.201 COC(=O)CCCCOC[C@@H](O)CF 7a_100000059025_100015614560 [0,2,0,0,0,0|2,0,0]=4 10659 B13R0.201 COC(=O)CCCCOC[C@@H](O)CO 34a_100000059025_100009815848 [0,2,0,0,0,0|2,0,0]=4 10660 B13R0.201 COC(=O)CCCCOC[C@@H](O)CO 7a_100000059025_100009815848 [0,2,0,0,0,0|2,0,0]=4 10661 B13R0.201 COC(=O)CCCCOC[C@H](F)CN 34a_100015665980_100000204269 [0,2,0,0,0,0|2,0,0]=4 10662 B13R0.201 COC(=O)CCCCSCC(O)CO 62a_100000204269_100011219619 [0,2,0,0,0,0|2,0,0]=4 10663 B13R0.201 COC(=O)CCCCSCC(O)CO 62a_100011219619_100000204269 [0,2,0,0,0,0|2,0,0]=4 10664 B13R0.201 COC(=O)CCCCSC[C@@H](C)CO 62a_100000059175_100000204269 [0,2,0,0,0,0|2,0,0]=4 10665 B13R0.201 COC(=O)CCCCSC[C@@H](C)CO 62a_100000204269_100000059175 [0,2,0,0,0,0|2,0,0]=4 10666 B13R0.201 COC(=O)CCCCSC[C@@H](O)CF 62a_100000204269_100015614560 [0,2,0,0,0,0|2,0,0]=4 10667 B13R0.201 COC(=O)CCCCSC[C@@H](O)CF 62a_100015614560_100000204269 [0,2,0,0,0,0|2,0,0]=4 10668 B13R0.201 COC(=O)CCCCSC[C@@H](O)CO 62a_100000204269_100009815848 [0,2,0,0,0,0|2,0,0]=4 10669 B13R0.201 COC(=O)CCCCSC[C@@H](O)CO 62a_100009815848_100000204269 [0,2,0,0,0,0|2,0,0]=4 10670 B13R0.201 COC(=O)CCCNCCC(C)CO 2230a_106354213184_100011218270 [0,2,0,0,0,0|2,0,0]=4 10671 B13R0.201 COC(=O)CCCNCCC(C)CO 34a_106354213184_100000742333 [0,2,0,0,0,0|2,0,0]=4 10672 B13R0.201 COC(=O)CCCOCCC(C)OC 7a_100000764861_100011218270 [0,2,0,0,0,0|2,0,0]=4 10673 B13R0.201 COC(=O)CCOCCC[C@@H](C)CN 34a_100160569302_100000742370 [0,2,0,0,0,0|2,0,0]=4 10674 B13R0.204 CCN(C)CCCNCC(C)C(=O)O 269956a_100000749485_100015186262 [0,2,0,0,0,0|2,0,0]=4 10675 B13R0.204 CCN(C)CCCNCC(F)C(=O)O 269956a_100000084737_100015186262 [0,2,0,0,0,0|2,0,0]=4 10676 B13R0.291 CCC(C)(C)COCCCCC(=O)C 7a_100000765029_100000735457 [0,2,0,0,0,0|2,0,0]=4 10677 B13R0.291 CCC(C)(C)NCCCCCC(=O)N 2230a_100000211385_100009817443 [0,2,0,0,0,0|2,0,0]=4 10678 B13R0.291 CCC(C)(C)OCCCCCC(=O)N 7a_100000123541_100000210677 [0,2,0,0,0,0|2,0,0]=4 10679 B13R0.291 CCC(C)(C)OCCCCCC(=O)N 7a_100000210230_100009817443 [0,2,0,0,0,0|2,0,0]=4 10680 B13R0.291 CCC(C)(C)OCCCCCC(=O)[O-] 7a_100102619762_100000210677 [0,2,0,0,0,0|1,0,1]=4 10681 B13R0.291 CCC(C)(C)SCCCCCC(=O)N 62a_100000032637_100009817443 [0,2,0,0,0,0|2,0,0]=4 10682 B13R0.291 CCC(C)(C)SCCCCCC(=O)N 62a_100009817443_100000032637 [0,2,0,0,0,0|2,0,0]=4 10683 B13R0.493 CCC(C)CCC(=O)CCCC(=O)C 1458a_100000701222_100011215641 [0,2,0,0,0,0|1,0,1]=4 10684 B13R0.493 CCC(C)CCC(=O)CCCC(=O)N 1458a_100000701222_100102525003 [0,2,0,0,0,0|1,0,1]=4 10685 B13R0.493 CCC(C)CCC(C)OCCC(=O)C 7a_200011216552_100000053229 [0,2,0,0,0,0|2,0,0]=4 10686 B13R0.493 CCC(C)CCC(C)OCCC(=O)N 7a_200011216552_100000744528 [0,2,0,0,0,0|2,0,0]=4 10687 B13R0.493 CCC(C)COC(C)CCCC(=O)[O-] 7a_100000761597_100000748023 [0,2,0,0,0,0|1,0,1]=4 10688 B13R0.493 CCC(O)COC(C)CCCC(=O)[O-] 7a_100000761597_100011218378 [0,2,0,0,0,0|1,0,1]=4 10689 B13R0.493 CC[C@H](C)COC(C)CCCC(=O)[O-] 7a_100000761597_100009816398 [0,2,0,0,0,0|1,0,1]=4 10690 B13R0.1120 C#CC(CC)OCCCCCC(=O)N 34a_100000758843_100009817443 [0,2,0,0,0,0|2,0,0]=4 10691 B13R0.1120 C#CC(CC)OCCCCCC(=O)N 7a_100000758843_100009817443 [0,2,0,0,0,0|2,0,0]=4 10692 B13R0.1120 C=CC(CC)OCCCCCC(=O)N 34a_100000766422_100009817443 [0,2,0,0,0,0|2,0,0]=4 10693 B13R0.1120 C=CC(CC)OCCCCCC(=O)N 7a_100000766422_100009817443 [0,2,0,0,0,0|2,0,0]=4 10694 B13R0.1120 CCC(CC)CNCCCCC(=O)N 269862a_100000696515_100000211137 [0,2,0,0,0,0|2,0,0]=4 10695 B13R0.1120 CCC(CC)CNCCCCC(=O)N 270004a_100000696515_100000211137 [0,2,0,0,0,0|2,0,0]=4 10696 B13R0.1120 CCC(CC)CNCCCCC(=O)N 34a_100000696515_100011215472 [0,2,0,0,0,0|2,0,0]=4 10697 B13R0.1120 CCC(CC)CNCCOCC(=O)O 269956a_100000700818_100011215472 [0,2,0,0,0,0|2,0,0]=4 10698 B13R0.1120 CCC(CC)COCCCCC(=O)C 7a_100000703878_100000735457 [0,2,0,0,0,0|2,0,0]=4 10699 B13R0.1120 CCC(CC)COCCCCC(=O)N 34a_100012022536_100011215472 [0,2,0,0,0,0|2,0,0]=4 10700 B13R0.1120 CCC(CC)COCCCCC(=O)N 7a_100012022536_100011215472 [0,2,0,0,0,0|2,0,0]=4 10701 B13R0.1120 CCC(CC)CSCCCCC(=O)C 62a_100000735457_100011215472 [0,2,0,0,0,0|2,0,0]=4 10702 B13R0.1120 CCC(CC)CSCCCCC(=O)C 62a_100011215472_100000735457 [0,2,0,0,0,0|2,0,0]=4 10703 B13R0.1120 CCC(CC)NCCCCCC(=O)N 2230a_100000199018_100009817443 [0,2,0,0,0,0|2,0,0]=4 10704 B13R0.1120 CCC(CC)OCCCCCC(=O)N 7a_100000123541_100000210505 [0,2,0,0,0,0|2,0,0]=4 10705 B13R0.1120 CCC(CC)OCCCCCC(=O)N 7a_100000688536_100009817443 [0,2,0,0,0,0|2,0,0]=4 10706 B13R0.1120 CCC(CC)OCCCCCC(=O)[O-] 7a_100102619762_100000210505 [0,2,0,0,0,0|1,0,1]=4 10707 B13R0.1120 CCC(CC)SCCCCCC(=O)N 62a_100000210505_100009817443 [0,2,0,0,0,0|2,0,0]=4 10708 B13R0.1120 CCC(CC)SCCCCCC(=O)N 62a_100009817443_100000210505 [0,2,0,0,0,0|2,0,0]=4 10709 B13R0.1120 CCC(COCCCCC(=O)C)OC 34a_100011934954_100009817362 [0,2,0,0,0,0|2,0,0]=4 10710 B13R0.1120 CCC(COCCCCC(=O)C)OC 7a_100011934954_100000735457 [0,2,0,0,0,0|2,0,0]=4 10711 B13R0.1120 CC[C@@H](CO)NCCCCCC(=O)N 2230a_100000709445_100009817443 [0,2,0,0,0,0|2,0,0]=4 10712 B13R0.1 C#CCCCCN(C)CCCC(=O)O 269956a_100000719178_100010269958 [0,2,0,0,0,0|0,0,2]=4 10713 B13R0.1 C=C(Br)CCOC(C)CCCCCC 34a_100009813270_100011215978 [0,2,0,0,0,0|2,0,0]=4 10714 B13R0.1 C=C(C)CCNC(C)CCCCCC 2230a_100000210919_100000730704 [0,2,0,0,0,0|2,0,0]=4 10715 B13R0.1 C=C(C)CCNC(C)CCCCCC 34a_100000210919_100000730704 [0,2,0,0,0,0|2,0,0]=4 10716 B13R0.1 C=C(C)CCOC(C)CCCCCC 34a_100000210265_100000730704 [0,2,0,0,0,0|2,0,0]=4 10717 B13R0.1 C=C(C)CCOC(C)CCCCCC 34a_100000764851_100011215978 [0,2,0,0,0,0|2,0,0]=4 10718 B13R0.1 C=C(C)CCOC(C)CCCCCC 7a_100000210265_100000730704 [0,2,0,0,0,0|2,0,0]=4 10719 B13R0.1 C=C(C)CCSC(C)CCCCCC 62a_100000730704_100011215978 [0,2,0,0,0,0|2,0,0]=4 10720 B13R0.1 C=C(C)CCSC(C)CCCCCC 62a_100011215978_100000730704 [0,2,0,0,0,0|2,0,0]=4 10721 B13R0.1 C=CCCCCN(C)CCCC(=O)O 269956a_100000719178_100011215482 [0,2,0,0,0,0|0,0,2]=4 10722 B13R0.1 CC(=O)CCCC(=O)CCCCCO 1458a_100102619762_100011215641 [0,2,0,0,0,0|1,0,1]=4 10723 B13R0.1 CC(=O)CCCN(C)CCCCCO 269982a_100000722520_100011215641 [0,2,0,0,0,0|2,0,0]=4 10724 B13R0.1 CC(CCCC(=O)[O-])OCCCCF 7a_100000761597_100000729493 [0,2,0,0,0,0|1,0,1]=4 10725 B13R0.1 CC(CCCC(=O)[O-])OCCCCO 7a_100000761597_100000210776 [0,2,0,0,0,0|1,0,1]=4 10726 B13R0.1 CC/C=C\CCN(C)CCCC(=O)O 269956a_100000719178_100015370543 [0,2,0,0,0,0|0,0,2]=4 10727 B13R0.1 CCCCCCC(=O)CCCC(=O)C 1458a_100102632555_100011215641 [0,2,0,0,0,0|1,0,0]=3 10728 B13R0.1 CCCCCCC(=O)CCCC(=O)N 1458a_100102632555_100102525003 [0,2,0,0,0,0|1,0,0]=3 10729 B13R0.1 CCCCCCC(=O)CCCC(C)O 1458a_100102632555_200000718107 [0,2,0,0,0,0|1,0,1]=4 10730 B13R0.1 CCCCCCC(=O)CCC[N+](=O)[O-] 1458a_100016109205_100000210757 [0,2,0,0,0,0|1,0,1]=4 10731 B13R0.1 CCCCCCC(=O)CCNC(=O)C 1458a_100000183196_100000210757 [0,2,0,0,0,0|1,0,1]=4 10732 B13R0.1 CCCCCCC(=O)CCNC(=O)C 1458a_100102632555_100000189650 [0,2,0,0,0,0|1,0,1]=4 10733 B13R0.1 CCCCCCC(=O)CCNC(=O)N 1458a_100000181464_100000210757 [0,2,0,0,0,0|1,0,1]=4 10734 B13R0.1 CCCCCCC(=O)CCNC(=O)N 1458a_100102632555_200000034859 [0,2,0,0,0,0|1,0,1]=4 10735 B13R0.1 CCCCCCC(=O)CCOC(=O)C 1458a_100102632555_100009814007 [0,2,0,0,0,0|1,0,1]=4 10736 B13R0.1 CCCCCCC(=O)CCOC(=O)N 1458a_100102632555_200011214921 [0,2,0,0,0,0|1,0,1]=4 10737 B13R0.1 CCCCCCC(=O)CCSC(=O)C 1458a_100000048949_100000210757 [0,2,0,0,0,0|1,0,1]=4 10738 B13R0.1 CCCCCCC(=O)COCC(=O)N 1458a_100011219004_100000210757 [0,2,0,0,0,0|1,0,1]=4 10739 B13R0.1 CCCCCCC(=O)NCCC(=O)N 11a_100000740010_100102632555 [0,2,0,0,0,0|1,0,1]=4 10740 B13R0.1 CCCCCCC(=O)NCCC(=O)N 240690a_100000740010_100102632555 [0,2,0,0,0,0|1,0,1]=4 10741 B13R0.1 CCCCCCC(=O)NCCC(=O)N 527a_100000740010_100102632555 [0,2,0,0,0,0|1,0,1]=4 10742 B13R0.1 CCCCCCC(C)NCCC(=O)N 2230a_100000210919_100000744528 [0,2,0,0,0,0|1,0,0]=3 10743 B13R0.1 CCCCCCC(C)NCCC(=O)N 34a_100000210919_100000731001 [0,2,0,0,0,0|1,0,0]=3 10744 B13R0.1 CCCCCCC(C)NCCC(C)O 2230a_100000210919_100012276601 [0,2,0,0,0,0|1,0,1]=4 10745 B13R0.1 CCCCCCC(C)NCCC(C)O 2230a_200000755665_100011215978 [0,2,0,0,0,0|1,0,1]=4 10746 B13R0.1 CCCCCCC(C)NCCC(C)O 270004a_200000755665_100000210826 [0,2,0,0,0,0|1,0,1]=4 10747 B13R0.1 CCCCCCC(C)NCCC(C)O 34a_100000210919_100012276601 [0,2,0,0,0,0|1,0,1]=4 10748 B13R0.1 CCCCCCC(C)NCOC(=O)C 34a_100000210919_100009813279 [0,2,0,0,0,0|2,0,0]=4 10749 B13R0.1 CCCCCCC(C)NOCC(=O)O 269956a_100000106656_100011215978 [0,2,0,0,0,0|1,0,0]=3 10750 B13R0.1 CCCCCCC(C)OCCC(=O)C 34a_100000759926_100011215978 [0,2,0,0,0,0|1,0,0]=3 10751 B13R0.1 CCCCCCC(C)OCCC(=O)C 7a_100000210265_100000053229 [0,2,0,0,0,0|1,0,0]=3 10752 B13R0.1 CCCCCCC(C)OCCC(=O)C 7a_100000759926_100011215978 [0,2,0,0,0,0|1,0,0]=3 10753 B13R0.1 CCCCCCC(C)OCCC(=O)N 34a_100000210265_100000731001 [0,2,0,0,0,0|1,0,0]=3 10754 B13R0.1 CCCCCCC(C)OCCC(=O)N 34a_100000757172_100011215978 [0,2,0,0,0,0|1,0,0]=3 10755 B13R0.1 CCCCCCC(C)OCCC(=O)N 7a_100000210265_100000744528 [0,2,0,0,0,0|1,0,0]=3 10756 B13R0.1 CCCCCCC(C)OCCC(=O)N 7a_100000757172_100011215978 [0,2,0,0,0,0|1,0,0]=3 10757 B13R0.1 CCCCCCC(C)OCCC(C)O 34a_100000210265_100012276601 [0,2,0,0,0,0|1,0,1]=4 10758 B13R0.1 CCCCCCC(C)OCCC(C)O 7a_100000210265_100012276601 [0,2,0,0,0,0|1,0,1]=4 10759 B13R0.1 CCCCCCC(C)OCOC(=O)C 34a_100000210265_100009813279 [0,2,0,0,0,0|2,0,0]=4 10760 B13R0.1 CCCCCCC(C)SCCC(=O)C 62a_100000053229_100011215978 [0,2,0,0,0,0|1,0,0]=3 10761 B13R0.1 CCCCCCC(C)SCCC(=O)C 62a_100011215978_100000053229 [0,2,0,0,0,0|1,0,0]=3 10762 B13R0.1 CCCCCCC(C)SCCC(=O)N 62a_100000744528_100011215978 [0,2,0,0,0,0|1,0,0]=3 10763 B13R0.1 CCCCCCC(C)SCCC(=O)N 62a_100011215978_100000744528 [0,2,0,0,0,0|1,0,0]=3 10764 B13R0.1 CCCCCCC(C)SCCC(C)O 62a_100011215978_100012276601 [0,2,0,0,0,0|1,0,1]=4 10765 B13R0.1 CCCCCCC(C)SCCC(C)O 62a_100012276601_100011215978 [0,2,0,0,0,0|1,0,1]=4 10766 B13R0.1 CCCCCCC(C)SCOC(=O)C 62a_100000076356_100011215978 [0,2,0,0,0,0|2,0,0]=4 10767 B13R0.1 CCCCCCC(C)SCOC(=O)C 62a_100011215978_100000076356 [0,2,0,0,0,0|2,0,0]=4 10768 B13R0.1 CCCCCCN(C)CCCC(=O)C 269982a_106256046315_100011215641 [0,2,0,0,0,0|1,0,0]=3 10769 B13R0.1 CCCCCCN(C)CCCC(=O)N 269982a_106256046315_100102525003 [0,2,0,0,0,0|1,0,0]=3 10770 B13R0.1 CCCCCCN(C)CCCC(=O)O 269956a_100000719178_100000210757 [0,2,0,0,0,0|0,0,0]=2 10771 B13R0.1 CCCCCCN(C)CCCC(C)O 2230a_106256046315_200000718107 [0,2,0,0,0,0|1,0,1]=4 10772 B13R0.1 CCCCCCN(C)CCCC(C)O 269982a_106256046315_200000718107 [0,2,0,0,0,0|1,0,1]=4 10773 B13R0.1 CCCCCCN(C)CCNC(=O)C 2230a_106256046315_100000189650 [0,2,0,0,0,0|2,0,0]=4 10774 B13R0.1 CCCCCCN(C)CCNC(=O)C 269982a_106256046315_100000189650 [0,2,0,0,0,0|2,0,0]=4 10775 B13R0.1 CCCCCCN(C)CCNC(=O)N 2230a_106256046315_200000034859 [0,2,0,0,0,0|2,0,0]=4 10776 B13R0.1 CCCCCCN(C)CCNC(=O)N 269982a_106256046315_200000034859 [0,2,0,0,0,0|2,0,0]=4 10777 B13R0.1 CCCCCCN(C)CCOC(=O)C 269982a_106256046315_100009814007 [0,2,0,0,0,0|2,0,0]=4 10778 B13R0.1 CCCCCCN(C)CCOC(=O)N 269982a_106256046315_200011214921 [0,2,0,0,0,0|2,0,0]=4 10779 B13R0.1 CCCCCNC(=O)CNCC(=O)O 269956a_100016091260_100000230301 [0,2,0,0,0,0|1,0,1]=4 10780 B13R0.1 CCCCCOC(C)CCCC(=O)[O-] 7a_100000761597_100000210326 [0,2,0,0,0,0|0,0,1]=3 10781 B13R0.1 CCCCOCC(=O)CCCC(=O)C 1458a_100000757543_100011215641 [0,2,0,0,0,0|1,0,1]=4 10782 B13R0.1 CCCCOCC(=O)CCCC(=O)N 1458a_100000757543_100102525003 [0,2,0,0,0,0|1,0,1]=4 10783 B13R0.1 CCCCOCC(C)OCCC(=O)C 7a_100011217071_100000053229 [0,2,0,0,0,0|2,0,0]=4 10784 B13R0.1 CCCCOCC(C)OCCC(=O)N 34a_100011217071_100000731001 [0,2,0,0,0,0|2,0,0]=4 10785 B13R0.1 CCCCOCC(C)OCCC(=O)N 7a_100011217071_100000744528 [0,2,0,0,0,0|2,0,0]=4 10786 B13R0.1 CCCCOCN(C)CCCC(=O)O 269956a_100000719178_100011995733 [0,2,0,0,0,0|1,0,0]=3 10787 B13R0.1 CCCCSCC(=O)CCCC(=O)C 1458a_100000191162_100011215641 [0,2,0,0,0,0|1,0,1]=4 10788 B13R0.1 CCCCSCC(=O)CCCC(=O)N 1458a_100000191162_100102525003 [0,2,0,0,0,0|1,0,1]=4 10789 B13R0.1 CCCOCCN(C)CCCC(=O)O 269956a_100000719178_100011215938 [0,2,0,0,0,0|1,0,0]=3 10790 B13R0.1 CCOCCCN(C)CCCC(=O)O 269956a_100000719178_100012232248 [0,2,0,0,0,0|1,0,0]=3 10791 B13R0.1 CCOCCOC(C)CCCC(=O)[O-] 7a_100000761597_100011215890 [0,2,0,0,0,0|1,0,1]=4 10792 B13R0.1 CCSCCOC(C)CCCC(=O)[O-] 7a_100000761597_100000757381 [0,2,0,0,0,0|1,0,1]=4 10793 B13R0.1 CN(CCCC(=O)O)CCOCCO 269956a_100000719178_100011215305 [0,2,0,0,0,0|2,0,0]=4 10794 B13R0.1 CN(CCCCC#N)CCCC(=O)O 269956a_100000719178_100011219923 [0,2,0,0,0,0|1,0,1]=4 10795 B13R0.1 CN(CCCCC=O)CCCC(=O)O 269956a_100000719178_100000139335 [0,2,0,0,0,0|1,0,1]=4 10796 B13R0.1 CN(CCCCCF)CCCC(=O)O 269956a_100000719178_100000729378 [0,2,0,0,0,0|1,0,0]=3 10797 B13R0.1 CN(CCCCCO)CCCC(=O)N 269982a_100000722520_100102525003 [0,2,0,0,0,0|2,0,0]=4 10798 B13R0.1 CN(CCCCCO)CCCC(=O)O 269956a_100000719178_100000746330 [0,2,0,0,0,0|1,0,0]=3 10799 B13R0.1 COCCCCN(C)CCCC(=O)O 269956a_100000719178_100000730899 [0,2,0,0,0,0|1,0,0]=3 10800 B13R0.1 COCCCOC(C)CCCC(=O)[O-] 7a_100000761597_100000740836 [0,2,0,0,0,0|1,0,1]=4 10801 B13R0.1 COCCOCN(C)CCCC(=O)O 269956a_100000719178_100000231047 [0,2,0,0,0,0|2,0,0]=4 10802 B13R0.1 NC(=O)CCCC(=O)CCCCCO 1458a_100102619762_100102525003 [0,2,0,0,0,0|1,0,1]=4 10803 B13R0.139 CCCCCC(C)C(=O)CCC(=O)N 1458a_100011215257_200011218191 [0,2,0,0,0,0|1,0,1]=4 10804 B13R0.139 CCCCCC(C)N(C)CCC(=O)N 2230a_100000730477_200011218191 [0,2,0,0,0,0|2,0,0]=4 10805 B13R0.139 CCCCCC(C)N(C)CCC(=O)N 270004a_100000730477_100000211708 [0,2,0,0,0,0|2,0,0]=4 10806 B13R0.153 C#CC(CCCCC)OCCC(=O)C 7a_100011216489_100000053229 [0,2,0,0,0,0|2,0,0]=4 10807 B13R0.153 C#CC(CCCCC)OCCC(=O)N 34a_100011216489_100000731001 [0,2,0,0,0,0|2,0,0]=4 10808 B13R0.153 C#CC(CCCCC)OCCC(=O)N 7a_100011216489_100000744528 [0,2,0,0,0,0|2,0,0]=4 10809 B13R0.153 C=CC(CCCCC)OCCC(=O)C 7a_100011216863_100000053229 [0,2,0,0,0,0|2,0,0]=4 10810 B13R0.153 C=CC(CCCCC)OCCC(=O)N 34a_100011216863_100000731001 [0,2,0,0,0,0|2,0,0]=4 10811 B13R0.153 C=CC(CCCCC)OCCC(=O)N 7a_100011216863_100000744528 [0,2,0,0,0,0|2,0,0]=4 10812 B13R0.153 CCCCCC(CC)OCCC(=O)C 7a_100011215405_100000053229 [0,2,0,0,0,0|2,0,0]=4 10813 B13R0.153 CCCCCC(CC)OCCC(=O)N 34a_100011215405_100000731001 [0,2,0,0,0,0|2,0,0]=4 10814 B13R0.153 CCCCCC(CC)OCCC(=O)N 7a_100011215405_100000744528 [0,2,0,0,0,0|2,0,0]=4 10815 B13R0.153 CCCCCC(CCCC(=O)[O-])OC 7a_100020618878_200000210301 [0,2,0,0,0,0|0,0,1]=3 10816 B13R0.153 CCCCCC(CCCC(=O)[O-])O[13CH3] 7a_100020618878_200025704644 [0,2,0,0,0,0|0,0,1]=3 10817 B13R0.194 CCCCCC(=O)CCCC(=O)NC 1458a_100000212188_100000741757 [0,2,0,0,0,0|1,0,1]=4 10818 B13R0.194 CCCCCC(=O)CCCC(=O)OC 1458a_100000212188_100011218270 [0,2,0,0,0,0|0,0,1]=3 10819 B13R0.194 CCCCCC(=O)CCCC(=O)OC 1458a_100000239890_100000210326 [0,2,0,0,0,0|0,0,1]=3 10820 B13R0.194 CCCCCC(=O)CSCC(=O)OC 1458a_100000191316_100000210326 [0,2,0,0,0,0|1,0,1]=4 10821 B13R0.194 CCCCCC(=O)CSCC(=O)OC 62a_100000747449_200012276598 [0,2,0,0,0,0|1,0,1]=4 10822 B13R0.194 CCCCCC(=O)CSCC(=O)OC 62a_200012276598_100000747449 [0,2,0,0,0,0|1,0,1]=4 10823 B13R0.194 CCCCCC(=O)NCCC(=O)OC 188690a_100000683876_100000212188 [0,2,0,0,0,0|1,0,1]=4 10824 B13R0.194 CCCCCC(C)NCCC(=O)NC 2230a_100000211957_100000737683 [0,2,0,0,0,0|2,0,0]=4 10825 B13R0.194 CCCCCC(C)NCCC(=O)NC 2230a_100000738227_200011218191 [0,2,0,0,0,0|2,0,0]=4 10826 B13R0.194 CCCCCC(C)NCCC(=O)NC 270004a_100000738227_100000211708 [0,2,0,0,0,0|2,0,0]=4 10827 B13R0.194 CCCCCC(C)NCCC(=O)NC 34a_100000738227_200011218191 [0,2,0,0,0,0|2,0,0]=4 10828 B13R0.194 CCCCCC(C)NCCC(=O)OC 2230a_100000211957_100000204255 [0,2,0,0,0,0|1,0,0]=3 10829 B13R0.194 CCCCCC(C)OCCC(=NO)N 34a_100000749954_200011218191 [0,2,0,0,0,0|2,0,0]=4 10830 B13R0.194 CCCCCC(C)OCCC(=O)NC 34a_100000754576_200011218191 [0,2,0,0,0,0|2,0,0]=4 10831 B13R0.194 CCCCCC(C)OCCC(=O)NC 34a_100011215632_100012179268 [0,2,0,0,0,0|2,0,0]=4 10832 B13R0.194 CCCCCC(C)OCCC(=O)NC 7a_100011215632_100000737683 [0,2,0,0,0,0|2,0,0]=4 10833 B13R0.194 CCCCCC(C)OCCC(=O)OC 34a_100011215632_100000742370 [0,2,0,0,0,0|1,0,0]=3 10834 B13R0.194 CCCCCC(C)OCCC(=O)OC 7a_100011215632_100000204255 [0,2,0,0,0,0|1,0,0]=3 10835 B13R0.194 CCCCCC(C)SCCC(=O)NC 62a_100000737683_200011218191 [0,2,0,0,0,0|2,0,0]=4 10836 B13R0.194 CCCCCC(C)SCCC(=O)NC 62a_200011218191_100000737683 [0,2,0,0,0,0|2,0,0]=4 10837 B13R0.194 CCCCCC(C)SCCC(=O)OC 62a_100000204255_200011218191 [0,2,0,0,0,0|1,0,0]=3 10838 B13R0.194 CCCCCC(C)SCCC(=O)OC 62a_200011218191_100000204255 [0,2,0,0,0,0|1,0,0]=3 10839 B13R0.194 CCCCCC(C)SCOC(=O)OC 62a_200011218191_100000139417 [0,2,0,0,0,0|2,0,0]=4 10840 B13R0.194 CCCCCC(O)CCCC(=O)NC 1626a_100102657272_100020618878 [0,2,0,0,0,0|1,0,0]=3 10841 B13R0.194 CCCCCC(O)CCCC(=O)NC 240690a_100102657272_100020618878 [0,2,0,0,0,0|1,0,0]=3 10842 B13R0.194 CCCCCC(O)CCCC(=O)NC 527a_100102657272_100020618878 [0,2,0,0,0,0|1,0,0]=3 10843 B13R0.194 CCCCCN(C)CCCC(=O)NC 2230a_100000223495_100000741757 [0,2,0,0,0,0|2,0,0]=4 10844 B13R0.194 CCCCCN(C)CCCC(=O)NC 269982a_100000223495_100000741757 [0,2,0,0,0,0|2,0,0]=4 10845 B13R0.194 CCCCCN(C)CCCC(=O)OC 2230a_100000223495_100011218270 [0,2,0,0,0,0|1,0,0]=3 10846 B13R0.194 CCCCCN(C)CCCC(=O)OC 269982a_100000223495_100011218270 [0,2,0,0,0,0|1,0,0]=3 10847 B13R0.194 CCCCCN(C)CCCC(=O)OC 269982a_100000739225_100000210215 [0,2,0,0,0,0|1,0,0]=3 10848 B13R0.194 CCCCNC(=O)CCCC(=O)OC 11a_100000102301_100000239890 [0,2,0,0,0,0|1,0,1]=4 10849 B13R0.194 CCCCNC(=O)CCCC(=O)OC 1626a_100000102301_100000239890 [0,2,0,0,0,0|1,0,1]=4 10850 B13R0.194 CCCCNC(=O)CCCC(=O)OC 240690a_100000102301_100000239890 [0,2,0,0,0,0|1,0,1]=4 10851 B13R0.194 CCCCNC(=O)CCCC(=O)OC 527a_100000102301_100000239890 [0,2,0,0,0,0|1,0,1]=4 10852 B13R0.194 CCCOCC(=O)CCCC(=O)OC 1458a_100000745993_100011218270 [0,2,0,0,0,0|1,0,1]=4 10853 B13R0.194 CCCSCC(=O)CCCC(=O)OC 1458a_100000217233_100011218270 [0,2,0,0,0,0|1,0,1]=4 10854 B13R0.194 CCOCCC(=O)CCCC(=O)OC 1458a_100000239890_100011215890 [0,2,0,0,0,0|1,0,1]=4 10855 B13R0.194 CCOCCC(=O)CCCC(=O)OC 1458a_100000749530_100011218270 [0,2,0,0,0,0|1,0,1]=4 10856 B13R0.194 CCOCCN(C)CCCC(=O)OC 269982a_100000739225_100011215890 [0,2,0,0,0,0|2,0,0]=4 10857 B13R0.194 CCSCCC(=O)CCCC(=O)OC 1458a_100000230768_100011218270 [0,2,0,0,0,0|1,0,1]=4 10858 B13R0.194 CCSCCC(=O)CCCC(=O)OC 1458a_100000239890_100000757381 [0,2,0,0,0,0|1,0,1]=4 10859 B13R0.194 CCSCCN(C)CCCC(=O)OC 269982a_100000739225_100000757381 [0,2,0,0,0,0|2,0,0]=4 10860 B13R0.194 COC(=O)CCCC(=O)CCCCF 1458a_100000239890_100000729493 [0,2,0,0,0,0|1,0,1]=4 10861 B13R0.194 COC(=O)CCCC(=O)CCCCO 1458a_100000239890_100000210776 [0,2,0,0,0,0|1,0,1]=4 10862 B13R0.194 COC(=O)CCCC(=O)CCCCO 1458a_100000695505_100011218270 [0,2,0,0,0,0|1,0,1]=4 10863 B13R0.194 COC(=O)CCCC(=O)CCCSC 1458a_100000173376_100011218270 [0,2,0,0,0,0|1,0,1]=4 10864 B13R0.194 COC(=O)CCCN(C)CCCCF 269982a_100000739225_100000729493 [0,2,0,0,0,0|2,0,0]=4 10865 B13R0.194 COC(=O)CCCN(C)CCCCO 2230a_100000717598_100011218270 [0,2,0,0,0,0|2,0,0]=4 10866 B13R0.194 COC(=O)CCCN(C)CCCCO 269982a_100000717598_100011218270 [0,2,0,0,0,0|2,0,0]=4 10867 B13R0.194 COC(=O)CCCN(C)CCCCO 269982a_100000739225_100000210776 [0,2,0,0,0,0|2,0,0]=4 10868 B13R0.194 COC(=O)COC[C@@H](N)CCCCN 34a_100016993712_100000747449 [0,2,0,0,0,0|2,0,0]=4 10869 B13R0.194 COCCCC(=O)CCCC(=O)OC 1458a_100000239890_100000740836 [0,2,0,0,0,0|1,0,1]=4 10870 B13R0.194 COCCCC(=O)CCCC(=O)OC 1458a_100000741012_100011218270 [0,2,0,0,0,0|1,0,1]=4 10871 B13R0.194 COCCCC(C)OCCC(=O)OC 34a_200011539412_100000742370 [0,2,0,0,0,0|2,0,0]=4 10872 B13R0.194 COCCCC(C)OCCC(=O)OC 7a_200011539412_100000204255 [0,2,0,0,0,0|2,0,0]=4 10873 B13R0.194 COCCCN(C)CCCC(=O)OC 2230a_100000224831_100011218270 [0,2,0,0,0,0|2,0,0]=4 10874 B13R0.194 COCCCN(C)CCCC(=O)OC 269982a_100000224831_100011218270 [0,2,0,0,0,0|2,0,0]=4 10875 B13R0.194 COCCCN(C)CCCC(=O)OC 269982a_100000739225_100000740836 [0,2,0,0,0,0|2,0,0]=4 10876 B13R0.331 CCCC(=O)CN(C)CCCC(=O)O 269956a_100000719178_100000747444 [0,2,0,0,0,0|1,0,1]=4 10877 B13R0.331 CCCC(C)CC(=O)CCCC(=O)C 1458a_100000748435_100011215641 [0,2,0,0,0,0|1,0,1]=4 10878 B13R0.331 CCCC(C)CC(=O)CCCC(=O)N 1458a_100000748435_100102525003 [0,2,0,0,0,0|1,0,1]=4 10879 B13R0.331 CCCC(C)CN(C)CCCC(=O)O 269956a_100000719178_100011216630 [0,2,0,0,0,0|1,0,0]=3 10880 B13R0.331 CCCC(C)OC(C)CCCC(=O)[O-] 7a_100000761597_100000766640 [0,2,0,0,0,0|1,0,1]=4 10881 B13R0.331 COCC(O)CN(C)CCCC(=O)O 269956a_100000719178_100011215053 [0,2,0,0,0,0|2,0,0]=4 10882 B13R0.339 CCCCCC(=O)CN[C@@H](C)C(=O)O 269956a_100000743915_200012276598 [0,2,0,0,0,0|1,0,1]=4 10883 B13R0.339 CCCCCC(C)NCC(C)C(=O)O 269956a_100000749485_200011218191 [0,2,0,0,0,0|1,0,0]=3 10884 B13R0.339 CCCCCC(C)NCC(F)C(=O)O 269956a_100000084737_200011218191 [0,2,0,0,0,0|1,0,0]=3 10885 B13R0.339 CCCCCC(C)OCC(C)C(=O)C 34a_100000032740_200011218191 [0,2,0,0,0,0|2,0,0]=4 10886 B13R0.339 CCCCCC(C)OCC(C)C(=O)C 7a_100000032740_200011218191 [0,2,0,0,0,0|2,0,0]=4 10887 B13R0.339 CCCCCC(C)OC[C@H](N)C(=O)N 34a_100000729942_200011218191 [0,2,0,0,0,0|2,0,0]=4 10888 B13R0.1398 CC(=O)CCCC(=O)CCCC(C)C 1458a_100011216857_100011215641 [0,2,0,0,0,0|1,0,1]=4 10889 B13R0.1398 CC(=O)CCCN(C)CCCC(=O)O 269956a_100000719178_100011215641 [0,2,0,0,0,0|1,0,1]=4 10890 B13R0.1398 CC(=O)CCOC(C)CCCC(C)C 7a_200011218570_100000053229 [0,2,0,0,0,0|2,0,0]=4 10891 B13R0.1398 CC(=O)NCCC(C)CCCC(C)C 1626a_102516457229_100015343762 [0,2,0,0,0,0|2,0,0]=4 10892 B13R0.1398 CC(=O)NCCC(C)CCCC(C)C 240690a_102516457229_100015343762 [0,2,0,0,0,0|2,0,0]=4 10893 B13R0.1398 CC(=O)NCCC(C)CCCC(C)C 527a_102516457229_100103153847 [0,2,0,0,0,0|2,0,0]=4 10894 B13R0.1398 CC(C)CCCC(=O)CCCC(=O)N 1458a_100011216857_100102525003 [0,2,0,0,0,0|1,0,1]=4 10895 B13R0.1398 CC(C)CCCC(C)NCCC(=O)N 2230a_100000210607_100000744528 [0,2,0,0,0,0|2,0,0]=4 10896 B13R0.1398 CC(C)CCCC(C)OCCC(=O)N 34a_200011218570_100000731001 [0,2,0,0,0,0|2,0,0]=4 10897 B13R0.1398 CC(C)CCCC(C)OCCC(=O)N 7a_200011218570_100000744528 [0,2,0,0,0,0|2,0,0]=4 10898 B13R0.1398 CC(C)CCCN(C)CCCC(=O)O 269956a_100000719178_100011214892 [0,2,0,0,0,0|1,0,0]=3 10899 B13R0.1398 CC(C)CCOC(C)CCCC(=O)[O-] 7a_100000761597_100000210626 [0,2,0,0,0,0|1,0,1]=4 10900 B13R0.1398 CC(C)OCCN(C)CCCC(=O)O 269956a_100000719178_100000211751 [0,2,0,0,0,0|2,0,0]=4 10901 B13R0.1398 CC(C)SCCN(C)CCCC(=O)O 269956a_100000719178_100000730970 [0,2,0,0,0,0|2,0,0]=4 10902 B13R0.1398 CC(O)CCCN(C)CCCC(=O)O 269956a_100000719178_200000718107 [0,2,0,0,0,0|1,0,0]=3 10903 B13R0.1398 CC(O)CCOC(C)CCCC(=O)[O-] 7a_100000761597_100012276601 [0,2,0,0,0,0|1,0,1]=4 10904 B13R0.1398 CN(C)CCCN(C)CCCC(=O)O 269956a_100000719178_100000757444 [0,2,0,0,0,0|2,0,0]=4 10905 B13R0.54 C#CCCCCCCCNCC(=O)N 2230a_100000711301_100153394163 [0,2,0,0,0,0|1,0,1]=4 10906 B13R0.54 C#CCCCCCCCNCC(=O)O 269956a_100016091260_100153394163 [0,2,0,0,0,0|0,0,1]=3 10907 B13R0.54 C#CCCCCCCCOCC(=O)C 34a_100000211253_100153394163 [0,2,0,0,0,0|1,0,1]=4 10908 B13R0.54 C#CCCCCCCCOCC(=O)N 34a_100000054614_100000187820 [0,2,0,0,0,0|1,0,1]=4 10909 B13R0.54 C#CCCCCCCCOCC(=O)N 7a_100000054614_100000187820 [0,2,0,0,0,0|1,0,1]=4 10910 B13R0.54 C#CCCCCCCCOCC(=O)[O-] 34a_100000054614_100020667443 [0,2,0,0,0,0|0,0,2]=4 10911 B13R0.54 C#CCCCCCCCSCC(=O)N 62a_100000747473_100153394163 [0,2,0,0,0,0|1,0,1]=4 10912 B13R0.54 C#CCCCCCCCSCC(=O)N 62a_100153394163_100000747473 [0,2,0,0,0,0|1,0,1]=4 10913 B13R0.54 C#CCCCCCCCSCC(=O)[O-] 62a_100020667443_100153394163 [0,2,0,0,0,0|0,0,2]=4 10914 B13R0.54 C#CCCCCCCCSCC(=O)[O-] 62a_100153394163_100020667443 [0,2,0,0,0,0|0,0,2]=4 10915 B13R0.54 C#CCCCCCCNOCC(=O)O 269956a_100000106656_100012276617 [0,2,0,0,0,0|0,0,2]=4 10916 B13R0.54 C#CCCCCCCOCCC(=O)C 34a_100000759926_100012276617 [0,2,0,0,0,0|1,0,1]=4 10917 B13R0.54 C#CCCCCCCOCCC(=O)C 7a_100000759926_100012276617 [0,2,0,0,0,0|1,0,1]=4 10918 B13R0.54 C#CCCCCCCOCCC(=O)C 7a_100011217361_100000053229 [0,2,0,0,0,0|1,0,1]=4 10919 B13R0.54 C#CCCCCCCOCCC(=O)N 34a_100000757172_100012276617 [0,2,0,0,0,0|1,0,1]=4 10920 B13R0.54 C#CCCCCCCOCCC(=O)N 34a_100011217361_100000731001 [0,2,0,0,0,0|1,0,1]=4 10921 B13R0.54 C#CCCCCCCOCCC(=O)N 7a_100000757172_100012276617 [0,2,0,0,0,0|1,0,1]=4 10922 B13R0.54 C#CCCCCCCOCCC(=O)N 7a_100011217361_100000744528 [0,2,0,0,0,0|1,0,1]=4 10923 B13R0.54 C#CCCCCCCSCCC(=O)C 62a_100000053229_100012276617 [0,2,0,0,0,0|1,0,1]=4 10924 B13R0.54 C#CCCCCCCSCCC(=O)C 62a_100012276617_100000053229 [0,2,0,0,0,0|1,0,1]=4 10925 B13R0.54 C#CCCCCCCSCCC(=O)N 62a_100000744528_100012276617 [0,2,0,0,0,0|1,0,1]=4 10926 B13R0.54 C#CCCCCCCSCCC(=O)N 62a_100012276617_100000744528 [0,2,0,0,0,0|1,0,1]=4 10927 B13R0.54 C#CCCCCCNCCCC(=O)N 34a_100000739312_100012094781 [0,2,0,0,0,0|1,0,1]=4 10928 B13R0.54 C#CCCCCCOCCCC(=O)C 34a_100000759063_100012094781 [0,2,0,0,0,0|1,0,1]=4 10929 B13R0.54 C#CCCCCCOCCCC(=O)C 34a_100000766912_100000685027 [0,2,0,0,0,0|1,0,1]=4 10930 B13R0.54 C#CCCCCCOCCCC(=O)C 7a_100000759063_100012094781 [0,2,0,0,0,0|1,0,1]=4 10931 B13R0.54 C#CCCCCCOCCCC(=O)C 7a_100000766912_100011215641 [0,2,0,0,0,0|1,0,1]=4 10932 B13R0.54 C#CCCCCCOCCCC(=O)N 34a_100000766912_100102525003 [0,2,0,0,0,0|1,0,1]=4 10933 B13R0.54 C#CCCCCCOCCCC(=O)N 7a_100000766912_100102525003 [0,2,0,0,0,0|1,0,1]=4 10934 B13R0.54 C#CCCCCCSCCCC(=O)C 62a_100011215641_100012094781 [0,2,0,0,0,0|1,0,1]=4 10935 B13R0.54 C#CCCCCCSCCCC(=O)C 62a_100012094781_100011215641 [0,2,0,0,0,0|1,0,1]=4 10936 B13R0.54 C#CCCCCCSCCCC(=O)N 62a_100012094781_100102525003 [0,2,0,0,0,0|1,0,1]=4 10937 B13R0.54 C#CCCCCCSCCCC(=O)N 62a_100102525003_100012094781 [0,2,0,0,0,0|1,0,1]=4 10938 B13R0.54 C#CCCCCNCCCCC(=O)C 34a_100000706060_100009817362 [0,2,0,0,0,0|1,0,1]=4 10939 B13R0.54 C#CCCCCNCCCCC(=O)N 34a_100000696515_100010269958 [0,2,0,0,0,0|1,0,1]=4 10940 B13R0.54 C#CCCCCNCCOCC(=O)O 269956a_100000700818_100010269958 [0,2,0,0,0,0|0,0,2]=4 10941 B13R0.54 C#CCCCCOCCCCC(=O)C 34a_100000766709_100009817362 [0,2,0,0,0,0|1,0,1]=4 10942 B13R0.54 C#CCCCCOCCCCC(=O)C 7a_100000766709_100000735457 [0,2,0,0,0,0|1,0,1]=4 10943 B13R0.54 C#CCCCCOCCCCC(=O)N 34a_100012022536_100010269958 [0,2,0,0,0,0|1,0,1]=4 10944 B13R0.54 C#CCCCCOCCCCC(=O)N 7a_100012022536_100010269958 [0,2,0,0,0,0|1,0,1]=4 10945 B13R0.54 C#CCCCCSCCCCC(=O)C 62a_100000735457_100010269958 [0,2,0,0,0,0|1,0,1]=4 10946 B13R0.54 C#CCCCCSCCCCC(=O)C 62a_100010269958_100000735457 [0,2,0,0,0,0|1,0,1]=4 10947 B13R0.54 C#CCCCNCCCCCC(=O)N 34a_100000718082_100009817443 [0,2,0,0,0,0|1,0,1]=4 10948 B13R0.54 C#CCCCOCCCCCC(=O)N 34a_100000123541_100000695029 [0,2,0,0,0,0|1,0,1]=4 10949 B13R0.54 C#CCCCOCCCCCC(=O)N 34a_100000215630_100009817443 [0,2,0,0,0,0|1,0,1]=4 10950 B13R0.54 C#CCCCOCCCCCC(=O)N 7a_100000123541_100011215417 [0,2,0,0,0,0|1,0,1]=4 10951 B13R0.54 C#CCCCOCCCCCC(=O)N 7a_100000215630_100009817443 [0,2,0,0,0,0|1,0,1]=4 10952 B13R0.54 C#CCCCOCCCCCC(=O)[O-] 7a_100102619762_100011215417 [0,2,0,0,0,0|0,0,2]=4 10953 B13R0.54 C#CCCCSCCCCCC(=O)N 62a_100009817443_100011215417 [0,2,0,0,0,0|1,0,1]=4 10954 B13R0.54 C#CCCCSCCCCCC(=O)N 62a_100011215417_100009817443 [0,2,0,0,0,0|1,0,1]=4 10955 B13R0.54 C/C=C/CCOCCCCCC(=O)N 34a_100016278192_100009817443 [0,2,0,0,0,0|1,0,1]=4 10956 B13R0.54 C=C(Br)CCOCCCCCCCC 34a_100009813270_100000210759 [0,2,0,0,0,0|2,0,0]=4 10957 B13R0.54 C=C(Br)CCOCCCCCCCO 34a_100009813270_100000760002 [0,2,0,0,0,0|2,0,0]=4 10958 B13R0.54 C=C(Br)CCOCCCCCCOC 34a_100009813270_100011998445 [0,2,0,0,0,0|2,0,0]=4 10959 B13R0.54 C=C(C)CCNCCCCCCCC 2230a_100000229939_100000730704 [0,2,0,0,0,0|2,0,0]=4 10960 B13R0.54 C=C(C)CCNCCCCCCCC 34a_100000229939_100000730704 [0,2,0,0,0,0|2,0,0]=4 10961 B13R0.54 C=C(C)CCNCCCCCCCO 2230a_100011996573_100000730704 [0,2,0,0,0,0|2,0,0]=4 10962 B13R0.54 C=C(C)CCNCCCCCCCO 34a_100011996573_100000730704 [0,2,0,0,0,0|2,0,0]=4 10963 B13R0.54 C=C(C)CCNCCCOCCCC 2230a_200000211371_100000730704 [0,2,0,0,0,0|2,0,0]=4 10964 B13R0.54 C=C(C)CCNCCCOCCCC 34a_200000211371_100000730704 [0,2,0,0,0,0|2,0,0]=4 10965 B13R0.54 C=C(C)CCOCCCCCCCBr 34a_100000760002_100000730704 [0,2,0,0,0,0|2,0,0]=4 10966 B13R0.54 C=C(C)CCOCCCCCCCBr 7a_100000760002_100000730704 [0,2,0,0,0,0|2,0,0]=4 10967 B13R0.54 C=C(C)CCOCCCCCCCC 34a_100000210232_100000730704 [0,2,0,0,0,0|2,0,0]=4 10968 B13R0.54 C=C(C)CCOCCCCCCCC 34a_100000764851_100000210759 [0,2,0,0,0,0|2,0,0]=4 10969 B13R0.54 C=C(C)CCOCCCCCCCC 7a_100000210232_100000730704 [0,2,0,0,0,0|2,0,0]=4 10970 B13R0.54 C=C(C)CCOCCCCCCCN 34a_100011996573_100000730704 [0,2,0,0,0,0|2,0,0]=4 10971 B13R0.54 C=C(C)CCOCCCCCCCO 34a_100000764851_100000760002 [0,2,0,0,0,0|2,0,0]=4 10972 B13R0.54 C=C(C)CCOCCCCCCOC 34a_100000764851_100011998445 [0,2,0,0,0,0|2,0,0]=4 10973 B13R0.54 C=C(C)CCOCCCCCCOC 34a_200012092642_100000730704 [0,2,0,0,0,0|2,0,0]=4 10974 B13R0.54 C=C(C)CCOCCCCCCOC 7a_200012092642_100000730704 [0,2,0,0,0,0|2,0,0]=4 10975 B13R0.54 C=C(C)CCOCCCOCCCC 34a_200011215613_100000730704 [0,2,0,0,0,0|2,0,0]=4 10976 B13R0.54 C=C(C)CCOCCCOCCCC 7a_200011215613_100000730704 [0,2,0,0,0,0|2,0,0]=4 10977 B13R0.54 C=C(C)CCOCCNCCCCC 34a_100000224656_100000730704 [0,2,0,0,0,0|2,0,0]=4 10978 B13R0.54 C=C(C)CCOCCOCCCCC 34a_100011215259_100000730704 [0,2,0,0,0,0|2,0,0]=4 10979 B13R0.54 C=C(C)CCOCCOCCCCC 7a_100011215259_100000730704 [0,2,0,0,0,0|2,0,0]=4 10980 B13R0.54 C=C(C)CCSCCCCCCCC 62a_100000210759_100000730704 [0,2,0,0,0,0|2,0,0]=4 10981 B13R0.54 C=C(C)CCSCCCCCCCC 62a_100000730704_100000210317 [0,2,0,0,0,0|2,0,0]=4 10982 B13R0.54 C=C(C)CCSCCCCCCCO 62a_100000730704_100000760002 [0,2,0,0,0,0|2,0,0]=4 10983 B13R0.54 C=C(C)CCSCCCCCCCO 62a_100000760002_100000730704 [0,2,0,0,0,0|2,0,0]=4 10984 B13R0.54 C=C(C)CCSCCCCCCOC 62a_100000730704_100011998445 [0,2,0,0,0,0|2,0,0]=4 10985 B13R0.54 C=C(C)CCSCCCCCCOC 62a_100011998445_100000730704 [0,2,0,0,0,0|2,0,0]=4 10986 B13R0.54 C=C(C)CNCCCCCCCCC 2230a_100000212291_100000748629 [0,2,0,0,0,0|2,0,0]=4 10987 B13R0.54 C=C(C)CNCCCCCCCCC 34a_100000212291_100000748629 [0,2,0,0,0,0|2,0,0]=4 10988 B13R0.54 C=C(C)CNCCCCCCCCO 2230a_102515433106_100000748629 [0,2,0,0,0,0|2,0,0]=4 10989 B13R0.54 C=C(C)CNCCCCCCCCO 34a_102515433106_100000748629 [0,2,0,0,0,0|2,0,0]=4 10990 B13R0.54 C=C(C)COCCCCCCCCBr 34a_100009813846_100000748629 [0,2,0,0,0,0|2,0,0]=4 10991 B13R0.54 C=C(C)COCCCCCCCCBr 7a_100009813846_100000748629 [0,2,0,0,0,0|2,0,0]=4 10992 B13R0.54 C=C(C)COCCCCCCCCC 34a_100000210245_100011214924 [0,2,0,0,0,0|2,0,0]=4 10993 B13R0.54 C=C(C)COCCCCCCCCC 34a_100000210712_100000748629 [0,2,0,0,0,0|2,0,0]=4 10994 B13R0.54 C=C(C)COCCCCCCCCC 7a_100000210712_100000748629 [0,2,0,0,0,0|2,0,0]=4 10995 B13R0.54 C=C(C)COCCCCCCCCCl 34a_100000033203_100000748629 [0,2,0,0,0,0|2,0,0]=4 10996 B13R0.54 C=C(C)COCCCCCCCCCl 7a_100000033203_100000748629 [0,2,0,0,0,0|2,0,0]=4 10997 B13R0.54 C=C(C)COCCCCCCCCN 34a_102515433106_100000748629 [0,2,0,0,0,0|2,0,0]=4 10998 B13R0.54 C=C(C)COCCCCCCCCO 34a_100000210245_100000033203 [0,2,0,0,0,0|2,0,0]=4 10999 B13R0.54 C=C(C)COCCCCNCCCC 34a_200011216965_100000748629 [0,2,0,0,0,0|2,0,0]=4 11000 B13R0.54 C=C(C)COCCCCOCCCC 34a_200000760531_100000748629 [0,2,0,0,0,0|2,0,0]=4 11001 B13R0.54 C=C(C)COCCCCOCCCC 7a_200000760531_100000748629 [0,2,0,0,0,0|2,0,0]=4 11002 B13R0.54 C=C(C)COCCOCCCCCC 34a_100000691444_100000748629 [0,2,0,0,0,0|2,0,0]=4 11003 B13R0.54 C=C(C)COCCOCCCCCC 7a_100000691444_100000748629 [0,2,0,0,0,0|2,0,0]=4 11004 B13R0.54 C=C(C)CSCCCCCCCCC 62a_100000748629_100000210670 [0,2,0,0,0,0|2,0,0]=4 11005 B13R0.54 C=C(C)CSCCCCCCCCO 62a_100000033203_100000211660 [0,2,0,0,0,0|2,0,0]=4 11006 B13R0.54 C=C(C)CSCCCCCCCCO 62a_100000748629_100000033203 [0,2,0,0,0,0|2,0,0]=4 11007 B13R0.54 C=C(F)CNCCCCCCCCC 2230a_100000212291_100009893438 [0,2,0,0,0,0|2,0,0]=4 11008 B13R0.54 C=C(F)CNCCCCCCCCC 34a_100000212291_100009893438 [0,2,0,0,0,0|2,0,0]=4 11009 B13R0.54 C=C(F)CNCCCCCCCCO 2230a_102515433106_100009893438 [0,2,0,0,0,0|2,0,0]=4 11010 B13R0.54 C=C(F)CNCCCCCCCCO 34a_102515433106_100009893438 [0,2,0,0,0,0|2,0,0]=4 11011 B13R0.54 C=C(F)COCCCCCCCCBr 34a_100009813846_100009893438 [0,2,0,0,0,0|2,0,0]=4 11012 B13R0.54 C=C(F)COCCCCCCCCBr 7a_100009813846_100000042424 [0,2,0,0,0,0|2,0,0]=4 11013 B13R0.54 C=C(F)COCCCCCCCCC 34a_100000210712_100009893438 [0,2,0,0,0,0|2,0,0]=4 11014 B13R0.54 C=C(F)COCCCCCCCCC 34a_200010262243_100011214924 [0,2,0,0,0,0|2,0,0]=4 11015 B13R0.54 C=C(F)COCCCCCCCCC 7a_100000210712_100000042424 [0,2,0,0,0,0|2,0,0]=4 11016 B13R0.54 C=C(F)COCCCCCCCCCl 34a_100000033203_100009893438 [0,2,0,0,0,0|2,0,0]=4 11017 B13R0.54 C=C(F)COCCCCCCCCCl 7a_100000033203_100000042424 [0,2,0,0,0,0|2,0,0]=4 11018 B13R0.54 C=C(F)COCCCCCCCCN 34a_102515433106_100009893438 [0,2,0,0,0,0|2,0,0]=4 11019 B13R0.54 C=C(F)COCCCCCCCCO 34a_200010262243_100000033203 [0,2,0,0,0,0|2,0,0]=4 11020 B13R0.54 C=C(F)COCCCCNCCCC 34a_200011216965_100009893438 [0,2,0,0,0,0|2,0,0]=4 11021 B13R0.54 C=C(F)COCCCCOCCCC 34a_200000760531_100009893438 [0,2,0,0,0,0|2,0,0]=4 11022 B13R0.54 C=C(F)COCCCCOCCCC 7a_200000760531_100000042424 [0,2,0,0,0,0|2,0,0]=4 11023 B13R0.54 C=C(F)COCCOCCCCCC 34a_100000691444_100009893438 [0,2,0,0,0,0|2,0,0]=4 11024 B13R0.54 C=C(F)COCCOCCCCCC 7a_100000691444_100000042424 [0,2,0,0,0,0|2,0,0]=4 11025 B13R0.54 C=C(F)CSCCCCCCCCC 62a_100000042424_100000210670 [0,2,0,0,0,0|2,0,0]=4 11026 B13R0.54 C=C(F)CSCCCCCCCCO 62a_100000033203_100000042424 [0,2,0,0,0,0|2,0,0]=4 11027 B13R0.54 C=C(F)CSCCCCCCCCO 62a_100000042424_100000033203 [0,2,0,0,0,0|2,0,0]=4 11028 B13R0.54 C=CCCCCCCCCCC(=O)C 1458a_100000070787_100009814027 [0,2,0,0,0,0|1,0,0]=3 11029 B13R0.54 C=CCCCCCCCNCC(=O)N 2230a_100000711301_100012355270 [0,2,0,0,0,0|1,0,1]=4 11030 B13R0.54 C=CCCCCCCCNCC(=O)O 269956a_100016091260_100012355270 [0,2,0,0,0,0|0,0,1]=3 11031 B13R0.54 C=CCCCCCCCOCC(=O)C 34a_100000211253_100012355270 [0,2,0,0,0,0|1,0,1]=4 11032 B13R0.54 C=CCCCCCCCOCC(=O)N 34a_100000730831_100000187820 [0,2,0,0,0,0|1,0,1]=4 11033 B13R0.54 C=CCCCCCCCOCC(=O)N 7a_100000730831_100000187820 [0,2,0,0,0,0|1,0,1]=4 11034 B13R0.54 C=CCCCCCCCOCC(=O)[O-] 34a_100000730831_100020667443 [0,2,0,0,0,0|0,0,2]=4 11035 B13R0.54 C=CCCCCCCCSCC(=O)N 62a_100000747473_100012355270 [0,2,0,0,0,0|1,0,1]=4 11036 B13R0.54 C=CCCCCCCCSCC(=O)N 62a_100012355270_100000747473 [0,2,0,0,0,0|1,0,1]=4 11037 B13R0.54 C=CCCCCCCCSCC(=O)[O-] 62a_100012355270_100020667443 [0,2,0,0,0,0|0,0,2]=4 11038 B13R0.54 C=CCCCCCCCSCC(=O)[O-] 62a_100020667443_100012355270 [0,2,0,0,0,0|0,0,2]=4 11039 B13R0.54 C=CCCCCCCNOCC(=O)O 269956a_100000106656_100011215473 [0,2,0,0,0,0|0,0,2]=4 11040 B13R0.54 C=CCCCCCCOCCC(=O)C 34a_100000759926_100011215473 [0,2,0,0,0,0|1,0,1]=4 11041 B13R0.54 C=CCCCCCCOCCC(=O)C 7a_100000759926_100011215473 [0,2,0,0,0,0|1,0,1]=4 11042 B13R0.54 C=CCCCCCCOCCC(=O)C 7a_200011216477_100000053229 [0,2,0,0,0,0|1,0,1]=4 11043 B13R0.54 C=CCCCCCCOCCC(=O)N 34a_100000757172_100011215473 [0,2,0,0,0,0|1,0,1]=4 11044 B13R0.54 C=CCCCCCCOCCC(=O)N 34a_200011216477_100000731001 [0,2,0,0,0,0|1,0,1]=4 11045 B13R0.54 C=CCCCCCCOCCC(=O)N 7a_100000757172_100011215473 [0,2,0,0,0,0|1,0,1]=4 11046 B13R0.54 C=CCCCCCCOCCC(=O)N 7a_200011216477_100000744528 [0,2,0,0,0,0|1,0,1]=4 11047 B13R0.54 C=CCCCCCCSCCC(=O)C 62a_100000053229_100011215473 [0,2,0,0,0,0|1,0,1]=4 11048 B13R0.54 C=CCCCCCCSCCC(=O)C 62a_100011215473_100000053229 [0,2,0,0,0,0|1,0,1]=4 11049 B13R0.54 C=CCCCCCCSCCC(=O)N 62a_100000744528_100011215473 [0,2,0,0,0,0|1,0,1]=4 11050 B13R0.54 C=CCCCCCCSCCC(=O)N 62a_100011215473_100000744528 [0,2,0,0,0,0|1,0,1]=4 11051 B13R0.54 C=CCCCCCNCCCC(=O)N 34a_100000739312_100000700193 [0,2,0,0,0,0|1,0,1]=4 11052 B13R0.54 C=CCCCCCOCCCC(=O)C 34a_100000759063_100000700193 [0,2,0,0,0,0|1,0,1]=4 11053 B13R0.54 C=CCCCCCOCCCC(=O)C 34a_100011216702_100000685027 [0,2,0,0,0,0|1,0,1]=4 11054 B13R0.54 C=CCCCCCOCCCC(=O)C 7a_100000759063_100000700193 [0,2,0,0,0,0|1,0,1]=4 11055 B13R0.54 C=CCCCCCOCCCC(=O)C 7a_100011216702_100011215641 [0,2,0,0,0,0|1,0,1]=4 11056 B13R0.54 C=CCCCCCOCCCC(=O)N 34a_100011216702_100102525003 [0,2,0,0,0,0|1,0,1]=4 11057 B13R0.54 C=CCCCCCOCCCC(=O)N 7a_100011216702_100102525003 [0,2,0,0,0,0|1,0,1]=4 11058 B13R0.54 C=CCCCCCSCCCC(=O)C 62a_100000700193_100011215641 [0,2,0,0,0,0|1,0,1]=4 11059 B13R0.54 C=CCCCCCSCCCC(=O)C 62a_100011215641_100000700193 [0,2,0,0,0,0|1,0,1]=4 11060 B13R0.54 C=CCCCCCSCCCC(=O)N 62a_100000700193_100102525003 [0,2,0,0,0,0|1,0,1]=4 11061 B13R0.54 C=CCCCCCSCCCC(=O)N 62a_100102525003_100000700193 [0,2,0,0,0,0|1,0,1]=4 11062 B13R0.54 C=CCCCCNCCCCC(=O)C 34a_100000703577_100009817362 [0,2,0,0,0,0|1,0,1]=4 11063 B13R0.54 C=CCCCCNCCCCC(=O)N 34a_100000696515_100011215482 [0,2,0,0,0,0|1,0,1]=4 11064 B13R0.54 C=CCCCCNCCOCC(=O)O 269956a_100000700818_100011215482 [0,2,0,0,0,0|0,0,2]=4 11065 B13R0.54 C=CCCCCOCCCCC(=O)C 34a_100000766645_100009817362 [0,2,0,0,0,0|1,0,1]=4 11066 B13R0.54 C=CCCCCOCCCCC(=O)C 7a_100000766645_100000735457 [0,2,0,0,0,0|1,0,1]=4 11067 B13R0.54 C=CCCCCOCCCCC(=O)N 34a_100012022536_100011215482 [0,2,0,0,0,0|1,0,1]=4 11068 B13R0.54 C=CCCCCOCCCCC(=O)N 7a_100012022536_100011215482 [0,2,0,0,0,0|1,0,1]=4 11069 B13R0.54 C=CCCCCSCCCCC(=O)C 62a_100000735457_100011215482 [0,2,0,0,0,0|1,0,1]=4 11070 B13R0.54 C=CCCCCSCCCCC(=O)C 62a_100011215482_100000735457 [0,2,0,0,0,0|1,0,1]=4 11071 B13R0.54 C=CCCCNCCCCCC(=O)N 2230a_100000700776_100009817443 [0,2,0,0,0,0|1,0,1]=4 11072 B13R0.54 C=CCCCNCCCCCC(=O)N 34a_100000700776_100009817443 [0,2,0,0,0,0|1,0,1]=4 11073 B13R0.54 C=CCCCOCCCCCC(=O)N 34a_100000123541_100000757094 [0,2,0,0,0,0|1,0,1]=4 11074 B13R0.54 C=CCCCOCCCCCC(=O)N 34a_100000758997_100009817443 [0,2,0,0,0,0|1,0,1]=4 11075 B13R0.54 C=CCCCOCCCCCC(=O)N 7a_100000123541_100000757094 [0,2,0,0,0,0|1,0,1]=4 11076 B13R0.54 C=CCCCOCCCCCC(=O)N 7a_100000758997_100009817443 [0,2,0,0,0,0|1,0,1]=4 11077 B13R0.54 C=CCCCOCCCCCC(=O)[O-] 7a_100102619762_100000757094 [0,2,0,0,0,0|0,0,2]=4 11078 B13R0.54 C=CCCCSCCCCCC(=O)N 62a_100009817443_100000757094 [0,2,0,0,0,0|1,0,1]=4 11079 B13R0.54 C=CCCCSCCCCCC(=O)N 62a_100011713584_100009817443 [0,2,0,0,0,0|1,0,1]=4 11080 B13R0.54 CC#CCCOCCCCCC(=O)N 34a_100000750427_100009817443 [0,2,0,0,0,0|1,0,1]=4 11081 B13R0.54 CC(=O)CCCCCCCCCCO 1458a_100000070787_100009813290 [0,2,0,0,0,0|1,0,0]=3 11082 B13R0.54 CC(=O)CCCCNCCCCCO 34a_100000762737_100009817362 [0,2,0,0,0,0|1,0,0]=3 11083 B13R0.54 CC(=O)CCCCNCCOCCO 34a_100000211614_100009817362 [0,2,0,0,0,0|2,0,0]=4 11084 B13R0.54 CC(=O)CCCCOCCCCCBr 34a_100000746331_100009817362 [0,2,0,0,0,0|1,0,0]=3 11085 B13R0.54 CC(=O)CCCCOCCCCCBr 7a_100000746331_100000735457 [0,2,0,0,0,0|1,0,0]=3 11086 B13R0.54 CC(=O)CCCCOCCCCCCl 34a_100000746330_100009817362 [0,2,0,0,0,0|1,0,0]=3 11087 B13R0.54 CC(=O)CCCCOCCCCCCl 7a_100000746330_100000735457 [0,2,0,0,0,0|1,0,0]=3 11088 B13R0.54 CC(=O)CCCCOCCCCCI 34a_200012148887_100009817362 [0,2,0,0,0,0|1,0,0]=3 11089 B13R0.54 CC(=O)CCCCOCCCCCI 7a_200012148887_100000735457 [0,2,0,0,0,0|1,0,0]=3 11090 B13R0.54 CC(=O)CCCCOCCCCCN 34a_100000762737_100009817362 [0,2,0,0,0,0|1,0,0]=3 11091 B13R0.54 CC(=O)CCCCOCCOCCBr 34a_100000692535_100009817362 [0,2,0,0,0,0|2,0,0]=4 11092 B13R0.54 CC(=O)CCCCOCCOCCBr 7a_100000692535_100000735457 [0,2,0,0,0,0|2,0,0]=4 11093 B13R0.54 CC(=O)CCCCOCCOCCCl 34a_100011215305_100009817362 [0,2,0,0,0,0|2,0,0]=4 11094 B13R0.54 CC(=O)CCCCOCCOCCCl 7a_100011215305_100000735457 [0,2,0,0,0,0|2,0,0]=4 11095 B13R0.54 CC(=O)CCCCOCCOCCF 34a_200015357709_100009817362 [0,2,0,0,0,0|2,0,0]=4 11096 B13R0.54 CC(=O)CCCCOCCOCCF 7a_200015357709_100000735457 [0,2,0,0,0,0|2,0,0]=4 11097 B13R0.54 CC(=O)CCCCOCCOCCI 34a_100012149058_100009817362 [0,2,0,0,0,0|2,0,0]=4 11098 B13R0.54 CC(=O)CCCCOCCOCCI 7a_100012149058_100000735457 [0,2,0,0,0,0|2,0,0]=4 11099 B13R0.54 CC(=O)CCCCOCCOCCN 34a_100000211614_100009817362 [0,2,0,0,0,0|2,0,0]=4 11100 B13R0.54 CC(=O)CCCCSCCCCC#N 62a_100000735457_100000211819 [0,2,0,0,0,0|1,0,1]=4 11101 B13R0.54 CC(=O)CCCCSCCCCC#N 62a_100011219923_100000735457 [0,2,0,0,0,0|1,0,1]=4 11102 B13R0.54 CC(=O)CCCCSCCCCC=O 62a_100000139335_100000735457 [0,2,0,0,0,0|1,0,1]=4 11103 B13R0.54 CC(=O)CCCCSCCCCC=O 62a_100000735457_100000139335 [0,2,0,0,0,0|1,0,1]=4 11104 B13R0.54 CC(=O)CCCCSCCCCCF 62a_100000729378_100000735457 [0,2,0,0,0,0|1,0,0]=3 11105 B13R0.54 CC(=O)CCCCSCCCCCF 62a_100000735457_100000729378 [0,2,0,0,0,0|1,0,0]=3 11106 B13R0.54 CC(=O)CCCCSCCCCCO 62a_100000735457_100000746330 [0,2,0,0,0,0|1,0,0]=3 11107 B13R0.54 CC(=O)CCCCSCCCCCO 62a_100000746330_100000735457 [0,2,0,0,0,0|1,0,0]=3 11108 B13R0.54 CC(=O)CCCCSCCOCCO 62a_100000735457_100011215305 [0,2,0,0,0,0|2,0,0]=4 11109 B13R0.54 CC(=O)CCCCSCCOCCO 62a_100011215305_100000735457 [0,2,0,0,0,0|2,0,0]=4 11110 B13R0.54 CC(=O)CCCNCCCCCCO 34a_100000686447_100000685027 [0,2,0,0,0,0|1,0,0]=3 11111 B13R0.54 CC(=O)CCCOCCCCCC#N 7a_100000759063_100009813376 [0,2,0,0,0,0|1,0,1]=4 11112 B13R0.54 CC(=O)CCCOCCCCCC=O 7a_100000759063_100000139337 [0,2,0,0,0,0|1,0,1]=4 11113 B13R0.54 CC(=O)CCCOCCCCCCBr 34a_100011215345_100000685027 [0,2,0,0,0,0|1,0,0]=3 11114 B13R0.54 CC(=O)CCCOCCCCCCBr 7a_100011215345_100011215641 [0,2,0,0,0,0|1,0,0]=3 11115 B13R0.54 CC(=O)CCCOCCCCCCCl 34a_100000766143_100000685027 [0,2,0,0,0,0|1,0,0]=3 11116 B13R0.54 CC(=O)CCCOCCCCCCCl 7a_100000766143_100011215641 [0,2,0,0,0,0|1,0,0]=3 11117 B13R0.54 CC(=O)CCCOCCCCCCF 34a_100000732779_100000685027 [0,2,0,0,0,0|1,0,0]=3 11118 B13R0.54 CC(=O)CCCOCCCCCCF 34a_100000759063_100015922095 [0,2,0,0,0,0|1,0,0]=3 11119 B13R0.54 CC(=O)CCCOCCCCCCF 7a_100000732779_100011215641 [0,2,0,0,0,0|1,0,0]=3 11120 B13R0.54 CC(=O)CCCOCCCCCCF 7a_100000759063_100015922095 [0,2,0,0,0,0|1,0,0]=3 11121 B13R0.54 CC(=O)CCCOCCCCCCN 34a_100000686447_100000685027 [0,2,0,0,0,0|1,0,0]=3 11122 B13R0.54 CC(=O)CCCOCCCCCCO 34a_100000759063_100000766143 [0,2,0,0,0,0|1,0,0]=3 11123 B13R0.54 CC(=O)CCCOCCCCCCO 7a_100000759063_100000766143 [0,2,0,0,0,0|1,0,0]=3 11124 B13R0.54 CC(=O)CCCSCCCCCC#N 62a_100009813376_100011215641 [0,2,0,0,0,0|1,0,1]=4 11125 B13R0.54 CC(=O)CCCSCCCCCC#N 62a_100011215641_100009813376 [0,2,0,0,0,0|1,0,1]=4 11126 B13R0.54 CC(=O)CCCSCCCCCC=O 62a_100000139337_100011215641 [0,2,0,0,0,0|1,0,1]=4 11127 B13R0.54 CC(=O)CCCSCCCCCC=O 62a_100011215641_100000139337 [0,2,0,0,0,0|1,0,1]=4 11128 B13R0.54 CC(=O)CCCSCCCCCCF 62a_100011215641_100015922095 [0,2,0,0,0,0|1,0,0]=3 11129 B13R0.54 CC(=O)CCCSCCCCCCF 62a_100015922095_100011215641 [0,2,0,0,0,0|1,0,0]=3 11130 B13R0.54 CC(=O)CCCSCCCCCCO 62a_100000766143_100011215641 [0,2,0,0,0,0|1,0,0]=3 11131 B13R0.54 CC(=O)CCCSCCCCCCO 62a_100011215641_100000766143 [0,2,0,0,0,0|1,0,0]=3 11132 B13R0.54 CC(=O)CCOCCCCCCC#N 7a_100000759926_100009813337 [0,2,0,0,0,0|1,0,1]=4 11133 B13R0.54 CC(=O)CCOCCCCCCCBr 7a_100000760002_100000053229 [0,2,0,0,0,0|1,0,0]=3 11134 B13R0.54 CC(=O)CCOCCCCCCCO 34a_100000759926_100000760002 [0,2,0,0,0,0|1,0,0]=3 11135 B13R0.54 CC(=O)CCOCCCCCCCO 7a_100000759926_100000760002 [0,2,0,0,0,0|1,0,0]=3 11136 B13R0.54 CC(=O)CCSCCCCCCC#N 62a_100000053229_100009813337 [0,2,0,0,0,0|1,0,1]=4 11137 B13R0.54 CC(=O)CCSCCCCCCC#N 62a_100009813337_100000053229 [0,2,0,0,0,0|1,0,1]=4 11138 B13R0.54 CC(=O)CCSCCCCCCCO 62a_100000053229_100000760002 [0,2,0,0,0,0|1,0,0]=3 11139 B13R0.54 CC(=O)CCSCCCCCCCO 62a_100000760002_100000053229 [0,2,0,0,0,0|1,0,0]=3 11140 B13R0.54 CC(=O)COCCCCCCCCO 34a_100000211253_100000033203 [0,2,0,0,0,0|1,0,0]=3 11141 B13R0.54 CC(=O)NCCCCCCCCCO 240690a_100000078944_100015343762 [0,2,0,0,0,0|1,0,0]=3 11142 B13R0.54 CC(=O)NCCCCCCNCCF 2230a_200011996284_100011217306 [0,2,0,0,0,0|2,0,0]=4 11143 B13R0.54 CC(=O)NCCCCCCNCCF 34a_200011996284_100011217306 [0,2,0,0,0,0|2,0,0]=4 11144 B13R0.54 CC(=O)NCCCCCCNCCO 2230a_200011996284_100000211926 [0,2,0,0,0,0|2,0,0]=4 11145 B13R0.54 CC(=O)NCCCCCCNCCO 34a_200011996284_100000211926 [0,2,0,0,0,0|2,0,0]=4 11146 B13R0.54 CC(=O)NCCCCCNCCCF 2230a_200012022750_100011934791 [0,2,0,0,0,0|2,0,0]=4 11147 B13R0.54 CC(=O)NCCCCCNCCCF 34a_200012022750_100011934791 [0,2,0,0,0,0|2,0,0]=4 11148 B13R0.54 CC(=O)NCCCCCNCCCO 2230a_200012022750_100000230001 [0,2,0,0,0,0|2,0,0]=4 11149 B13R0.54 CC(=O)NCCCCCNCCCO 34a_200012022750_100000230001 [0,2,0,0,0,0|2,0,0]=4 11150 B13R0.54 CC(=O)NCCCCNCCCCF 2230a_200011368371_100000729493 [0,2,0,0,0,0|2,0,0]=4 11151 B13R0.54 CC(=O)NCCCCNCCCCF 34a_200011368371_100000729493 [0,2,0,0,0,0|2,0,0]=4 11152 B13R0.54 CC(=O)NCCCCNCCCCO 2230a_200011368371_100000210776 [0,2,0,0,0,0|2,0,0]=4 11153 B13R0.54 CC(=O)NCCCCNCCCCO 34a_200011368371_100011216708 [0,2,0,0,0,0|2,0,0]=4 11154 B13R0.54 CC(=O)NCCCNCCCCCF 34a_100000736810_100000729378 [0,2,0,0,0,0|2,0,0]=4 11155 B13R0.54 CC(=O)NCCCNCCCCCO 34a_100000736810_100000746330 [0,2,0,0,0,0|2,0,0]=4 11156 B13R0.54 CC(=O)NCCCOCCCCCF 34a_100000752032_100000729378 [0,2,0,0,0,0|2,0,0]=4 11157 B13R0.54 CC(=O)NCCCOCCCCCO 34a_100000752032_100000746330 [0,2,0,0,0,0|2,0,0]=4 11158 B13R0.54 CC(=O)NCCNCCCCCCF 2230a_100000209853_100015922095 [0,2,0,0,0,0|2,0,0]=4 11159 B13R0.54 CC(=O)NCCNCCCCCCO 2230a_100000209853_100000766143 [0,2,0,0,0,0|2,0,0]=4 11160 B13R0.54 CC(=O)NCCNCCCCCCO 2230a_100000686447_100000189650 [0,2,0,0,0,0|2,0,0]=4 11161 B13R0.54 CC(=O)NCCOCCCCCCBr 7a_100011215345_100000189650 [0,2,0,0,0,0|2,0,0]=4 11162 B13R0.54 CC(=O)NCCOCCCCCCCl 7a_100000766143_100000189650 [0,2,0,0,0,0|2,0,0]=4 11163 B13R0.54 CC(=O)NCCOCCCCCCF 34a_100000158858_100015922095 [0,2,0,0,0,0|2,0,0]=4 11164 B13R0.54 CC(=O)NCCOCCCCCCF 7a_100000732779_100000189650 [0,2,0,0,0,0|2,0,0]=4 11165 B13R0.54 CC(=O)NCCOCCCCCCO 34a_100000158858_100000766143 [0,2,0,0,0,0|2,0,0]=4 11166 B13R0.54 CC(=O)NCCSCCCCCCF 62a_100000189650_100015922095 [0,2,0,0,0,0|2,0,0]=4 11167 B13R0.54 CC(=O)NCCSCCCCCCF 62a_100015922095_100000189650 [0,2,0,0,0,0|2,0,0]=4 11168 B13R0.54 CC(=O)NCCSCCCCCCO 62a_100000189650_100000766143 [0,2,0,0,0,0|2,0,0]=4 11169 B13R0.54 CC(=O)NCCSCCCCCCO 62a_100000766143_100000189650 [0,2,0,0,0,0|2,0,0]=4 11170 B13R0.54 CC(=O)OCCCCCNCCCF 2230a_100015189416_100009813381 [0,2,0,0,0,0|2,0,0]=4 11171 B13R0.54 CC(=O)OCCCCCNCCCF 34a_100015189416_100000033007 [0,2,0,0,0,0|2,0,0]=4 11172 B13R0.54 CC(=O)OCCCCCOCCCBr 34a_100011217188_100000033007 [0,2,0,0,0,0|2,0,0]=4 11173 B13R0.54 CC(=O)OCCCCCOCCCCl 34a_100000230001_100000033007 [0,2,0,0,0,0|2,0,0]=4 11174 B13R0.54 CC(=O)OCCCCCOCCCF 34a_100000759539_100000033007 [0,2,0,0,0,0|2,0,0]=4 11175 B13R0.54 CC(=O)OCCCCCOCCCN 34a_100000182051_100000033007 [0,2,0,0,0,0|2,0,0]=4 11176 B13R0.54 CC(=O)OCCCCCSCCCF 62a_100000033007_100011934791 [0,2,0,0,0,0|2,0,0]=4 11177 B13R0.54 CC(=O)OCCCCCSCCCF 62a_100011934791_100000033007 [0,2,0,0,0,0|2,0,0]=4 11178 B13R0.54 CC(=O)OCCCCCSCCCO 62a_100000033007_100011215043 [0,2,0,0,0,0|2,0,0]=4 11179 B13R0.54 CC(=O)OCCCCCSCCCO 62a_100011215043_100000033007 [0,2,0,0,0,0|2,0,0]=4 11180 B13R0.54 CC(=O)OCCCCNCCCCO 34a_100000750430_100000033659 [0,2,0,0,0,0|2,0,0]=4 11181 B13R0.54 CC(=O)OCCCCOCCCCBr 34a_100011216708_100000033659 [0,2,0,0,0,0|2,0,0]=4 11182 B13R0.54 CC(=O)OCCCCOCCCCCl 34a_100000210776_100000033659 [0,2,0,0,0,0|2,0,0]=4 11183 B13R0.54 CC(=O)OCCCCOCCCCCl 7a_100000210776_100000033659 [0,2,0,0,0,0|2,0,0]=4 11184 B13R0.54 CC(=O)OCCCCOCCCCF 34a_100000073216_100000729493 [0,2,0,0,0,0|2,0,0]=4 11185 B13R0.54 CC(=O)OCCCCOCCCCF 34a_100011995726_100000033659 [0,2,0,0,0,0|2,0,0]=4 11186 B13R0.54 CC(=O)OCCCCOCCCCF 7a_100000073216_100000729493 [0,2,0,0,0,0|2,0,0]=4 11187 B13R0.54 CC(=O)OCCCCOCCCCF 7a_100011995726_100000033659 [0,2,0,0,0,0|2,0,0]=4 11188 B13R0.54 CC(=O)OCCCCOCCCCI 34a_200012148704_100000033659 [0,2,0,0,0,0|2,0,0]=4 11189 B13R0.54 CC(=O)OCCCCOCCCCN 34a_100000750430_100000033659 [0,2,0,0,0,0|2,0,0]=4 11190 B13R0.54 CC(=O)OCCCCOCCCCO 34a_100000073216_100011216708 [0,2,0,0,0,0|2,0,0]=4 11191 B13R0.54 CC(=O)OCCCCOCCCCO 7a_100000073216_100000210776 [0,2,0,0,0,0|2,0,0]=4 11192 B13R0.54 CC(=O)OCCCCSCCCCF 62a_100000033659_100000729493 [0,2,0,0,0,0|2,0,0]=4 11193 B13R0.54 CC(=O)OCCCCSCCCCF 62a_100000729493_100000033659 [0,2,0,0,0,0|2,0,0]=4 11194 B13R0.54 CC(=O)OCCCCSCCCCO 62a_100000033659_100000210776 [0,2,0,0,0,0|2,0,0]=4 11195 B13R0.54 CC(=O)OCCCCSCCCCO 62a_100000210776_100000033659 [0,2,0,0,0,0|2,0,0]=4 11196 B13R0.54 CC(=O)OCCCNCCCCCO 34a_100000762737_100000042594 [0,2,0,0,0,0|2,0,0]=4 11197 B13R0.54 CC(=O)OCCCOCCCCCBr 34a_100000746331_100000042594 [0,2,0,0,0,0|2,0,0]=4 11198 B13R0.54 CC(=O)OCCCOCCCCCBr 7a_100000746331_100000042594 [0,2,0,0,0,0|2,0,0]=4 11199 B13R0.54 CC(=O)OCCCOCCCCCCl 34a_100000746330_100000042594 [0,2,0,0,0,0|2,0,0]=4 11200 B13R0.54 CC(=O)OCCCOCCCCCCl 7a_100000746330_100000042594 [0,2,0,0,0,0|2,0,0]=4 11201 B13R0.54 CC(=O)OCCCOCCCCCI 34a_200012148887_100000042594 [0,2,0,0,0,0|2,0,0]=4 11202 B13R0.54 CC(=O)OCCCOCCCCCI 7a_200012148887_100000042594 [0,2,0,0,0,0|2,0,0]=4 11203 B13R0.54 CC(=O)OCCCOCCCCCN 34a_100000762737_100000042594 [0,2,0,0,0,0|2,0,0]=4 11204 B13R0.54 CC(=O)OCCCSCCCCCF 62a_100000042594_100000729378 [0,2,0,0,0,0|2,0,0]=4 11205 B13R0.54 CC(=O)OCCCSCCCCCF 62a_100000729378_100000042594 [0,2,0,0,0,0|2,0,0]=4 11206 B13R0.54 CC(=O)OCCCSCCCCCO 62a_100000042594_100000746330 [0,2,0,0,0,0|2,0,0]=4 11207 B13R0.54 CC(=O)OCCCSCCCCCO 62a_100000746330_100000042594 [0,2,0,0,0,0|2,0,0]=4 11208 B13R0.54 CC(=O)OCCNCCCCCCO 34a_100000686447_100009814007 [0,2,0,0,0,0|2,0,0]=4 11209 B13R0.54 CC(=O)OCCOCCCCCCBr 34a_100011215345_100009814007 [0,2,0,0,0,0|2,0,0]=4 11210 B13R0.54 CC(=O)OCCOCCCCCCBr 7a_100011215345_100009814007 [0,2,0,0,0,0|2,0,0]=4 11211 B13R0.54 CC(=O)OCCOCCCCCCCl 34a_100000766143_100009814007 [0,2,0,0,0,0|2,0,0]=4 11212 B13R0.54 CC(=O)OCCOCCCCCCCl 7a_100000766143_100009814007 [0,2,0,0,0,0|2,0,0]=4 11213 B13R0.54 CC(=O)OCCOCCCCCCF 34a_100000732779_100009814007 [0,2,0,0,0,0|2,0,0]=4 11214 B13R0.54 CC(=O)OCCOCCCCCCF 7a_100000732779_100009814007 [0,2,0,0,0,0|2,0,0]=4 11215 B13R0.54 CC(=O)OCCOCCCCCCN 34a_100000686447_100009814007 [0,2,0,0,0,0|2,0,0]=4 11216 B13R0.54 CC(=O)OCCSCCCCCCF 62a_100009814007_100015922095 [0,2,0,0,0,0|2,0,0]=4 11217 B13R0.54 CC(=O)OCCSCCCCCCF 62a_100015922095_100009814007 [0,2,0,0,0,0|2,0,0]=4 11218 B13R0.54 CC(=O)OCCSCCCCCCO 62a_100000766143_100009814007 [0,2,0,0,0,0|2,0,0]=4 11219 B13R0.54 CC(=O)OCCSCCCCCCO 62a_100009814007_100000766143 [0,2,0,0,0,0|2,0,0]=4 11220 B13R0.54 CC(=O)OCNCCCCCCCO 34a_100011996573_100009813279 [0,2,0,0,0,0|2,0,0]=4 11221 B13R0.54 CC(=O)OCOCCCCCCCBr 34a_100000760002_100009813279 [0,2,0,0,0,0|2,0,0]=4 11222 B13R0.54 CC(=O)OCOCCCCCCCN 34a_100011996573_100009813279 [0,2,0,0,0,0|2,0,0]=4 11223 B13R0.54 CC(=O)OCSCCCCCCCO 62a_100000076356_100000760002 [0,2,0,0,0,0|2,0,0]=4 11224 B13R0.54 CC(=O)OCSCCCCCCCO 62a_100000760002_100000076356 [0,2,0,0,0,0|2,0,0]=4 11225 B13R0.54 CC(=O)SCCCCNCCCCO 2230a_100000750430_200010402107 [0,2,0,0,0,0|2,0,0]=4 11226 B13R0.54 CC(=O)SCCCCNCCCCO 34a_100000750430_200010402107 [0,2,0,0,0,0|2,0,0]=4 11227 B13R0.54 CC(=O)SCCCCOCCCCBr 34a_100011216708_200010402107 [0,2,0,0,0,0|2,0,0]=4 11228 B13R0.54 CC(=O)SCCCCOCCCCCl 34a_100000210776_200010402107 [0,2,0,0,0,0|2,0,0]=4 11229 B13R0.54 CC(=O)SCCCCOCCCCCl 7a_100000210776_200010402107 [0,2,0,0,0,0|2,0,0]=4 11230 B13R0.54 CC(=O)SCCCCOCCCCF 34a_100011995726_200010402107 [0,2,0,0,0,0|2,0,0]=4 11231 B13R0.54 CC(=O)SCCCCOCCCCF 7a_100011995726_200010402107 [0,2,0,0,0,0|2,0,0]=4 11232 B13R0.54 CC(=O)SCCCCOCCCCI 34a_200012148704_200010402107 [0,2,0,0,0,0|2,0,0]=4 11233 B13R0.54 CC(=O)SCCCCOCCCCN 34a_100000750430_200010402107 [0,2,0,0,0,0|2,0,0]=4 11234 B13R0.54 CC(=O)SCCCCSCCCCF 62a_100000729493_200010402107 [0,2,0,0,0,0|2,0,0]=4 11235 B13R0.54 CC(=O)SCCCCSCCCCF 62a_200010402107_100000729493 [0,2,0,0,0,0|2,0,0]=4 11236 B13R0.54 CC(=O)SCCCCSCCCCO 62a_100000210776_200010402107 [0,2,0,0,0,0|2,0,0]=4 11237 B13R0.54 CC(=O)SCCCCSCCCCO 62a_200010402107_100000210776 [0,2,0,0,0,0|2,0,0]=4 11238 B13R0.54 CC(=O)SCCCNCCCCCO 2230a_100000762737_100000038929 [0,2,0,0,0,0|2,0,0]=4 11239 B13R0.54 CC(=O)SCCCNCCCCCO 34a_100000762737_100000038929 [0,2,0,0,0,0|2,0,0]=4 11240 B13R0.54 CC(=O)SCCCOCCCCCBr 34a_100000746331_100000038929 [0,2,0,0,0,0|2,0,0]=4 11241 B13R0.54 CC(=O)SCCCOCCCCCBr 7a_100000746331_100000038929 [0,2,0,0,0,0|2,0,0]=4 11242 B13R0.54 CC(=O)SCCCOCCCCCCl 34a_100000746330_100000038929 [0,2,0,0,0,0|2,0,0]=4 11243 B13R0.54 CC(=O)SCCCOCCCCCCl 7a_100000746330_100000038929 [0,2,0,0,0,0|2,0,0]=4 11244 B13R0.54 CC(=O)SCCCOCCCCCI 34a_200012148887_100000038929 [0,2,0,0,0,0|2,0,0]=4 11245 B13R0.54 CC(=O)SCCCOCCCCCI 7a_200012148887_100000038929 [0,2,0,0,0,0|2,0,0]=4 11246 B13R0.54 CC(=O)SCCCOCCCCCN 34a_100000762737_100000038929 [0,2,0,0,0,0|2,0,0]=4 11247 B13R0.54 CC(=O)SCCCSCCCCCF 62a_100000038929_100000729378 [0,2,0,0,0,0|2,0,0]=4 11248 B13R0.54 CC(=O)SCCCSCCCCCF 62a_100000729378_100000038929 [0,2,0,0,0,0|2,0,0]=4 11249 B13R0.54 CC(=O)SCCCSCCCCCO 62a_100000038929_100000746330 [0,2,0,0,0,0|2,0,0]=4 11250 B13R0.54 CC(=O)SCCCSCCCCCO 62a_100000746330_100000038929 [0,2,0,0,0,0|2,0,0]=4 11251 B13R0.54 CC(O)CCCNCCCCCCO 2230a_100000686447_200000718107 [0,2,0,0,0,0|1,0,1]=4 11252 B13R0.54 CC(O)CCCNCCCCCCO 34a_100000686447_200000718107 [0,2,0,0,0,0|1,0,1]=4 11253 B13R0.54 CC(O)CCCOCCCCCCBr 34a_100011215345_200000718107 [0,2,0,0,0,0|1,0,1]=4 11254 B13R0.54 CC(O)CCCOCCCCCCBr 7a_100011215345_200000718107 [0,2,0,0,0,0|1,0,1]=4 11255 B13R0.54 CC(O)CCCOCCCCCCCl 34a_100000766143_200000718107 [0,2,0,0,0,0|1,0,1]=4 11256 B13R0.54 CC(O)CCCOCCCCCCCl 7a_100000766143_200000718107 [0,2,0,0,0,0|1,0,1]=4 11257 B13R0.54 CC(O)CCCOCCCCCCF 34a_100000732779_200000718107 [0,2,0,0,0,0|1,0,1]=4 11258 B13R0.54 CC(O)CCCOCCCCCCF 7a_100000732779_200000718107 [0,2,0,0,0,0|1,0,1]=4 11259 B13R0.54 CC(O)CCCOCCCCCCN 34a_100000686447_200000718107 [0,2,0,0,0,0|1,0,1]=4 11260 B13R0.54 CC(O)CCCSCCCCCCF 62a_100015922095_200000718107 [0,2,0,0,0,0|1,0,1]=4 11261 B13R0.54 CC(O)CCCSCCCCCCF 62a_200000718107_100015922095 [0,2,0,0,0,0|1,0,1]=4 11262 B13R0.54 CC(O)CCCSCCCCCCO 62a_100000766143_200000718107 [0,2,0,0,0,0|1,0,1]=4 11263 B13R0.54 CC(O)CCCSCCCCCCO 62a_200000718107_100000766143 [0,2,0,0,0,0|1,0,1]=4 11264 B13R0.54 CC(O)CCNCCCCCCCO 2230a_100011996573_100012276601 [0,2,0,0,0,0|1,0,1]=4 11265 B13R0.54 CC(O)CCNCCCCCCCO 2230a_200000755665_100000760002 [0,2,0,0,0,0|1,0,1]=4 11266 B13R0.54 CC(O)CCNCCCCCCCO 34a_100011996573_100012276601 [0,2,0,0,0,0|1,0,1]=4 11267 B13R0.54 CC(O)CCOCCCCCCCBr 34a_100000760002_100012276601 [0,2,0,0,0,0|1,0,1]=4 11268 B13R0.54 CC(O)CCOCCCCCCCBr 7a_100000760002_100012276601 [0,2,0,0,0,0|1,0,1]=4 11269 B13R0.54 CC(O)CCOCCCCCCCN 34a_100011996573_100012276601 [0,2,0,0,0,0|1,0,1]=4 11270 B13R0.54 CC(O)CCSCCCCCCCO 62a_100000760002_100012276601 [0,2,0,0,0,0|1,0,1]=4 11271 B13R0.54 CC(O)CCSCCCCCCCO 62a_100012276601_100000760002 [0,2,0,0,0,0|1,0,1]=4 11272 B13R0.54 CC(O)CNCCCCCCCCO 2230a_100000210904_100000033203 [0,2,0,0,0,0|1,0,1]=4 11273 B13R0.54 CC(O)CNCCCCCCCCO 2230a_102515433106_100011218427 [0,2,0,0,0,0|1,0,1]=4 11274 B13R0.54 CC(O)CNCCCCCCCCO 34a_100000210904_100000033203 [0,2,0,0,0,0|1,0,1]=4 11275 B13R0.54 CC(O)CNCCCCCCCCO 34a_102515433106_100011218427 [0,2,0,0,0,0|1,0,1]=4 11276 B13R0.54 CC(O)COCCCCCCCCBr 34a_100009813846_100011218427 [0,2,0,0,0,0|1,0,1]=4 11277 B13R0.54 CC(O)COCCCCCCCCBr 7a_100009813846_100011218427 [0,2,0,0,0,0|1,0,1]=4 11278 B13R0.54 CC(O)COCCCCCCCCCl 34a_100000033203_100011218427 [0,2,0,0,0,0|1,0,1]=4 11279 B13R0.54 CC(O)COCCCCCCCCCl 7a_100000033203_100011218427 [0,2,0,0,0,0|1,0,1]=4 11280 B13R0.54 CC(O)COCCCCCCCCN 34a_102515433106_100011218427 [0,2,0,0,0,0|1,0,1]=4 11281 B13R0.54 CC(O)CSCCCCCCCCO 62a_100000033203_100011218427 [0,2,0,0,0,0|1,0,1]=4 11282 B13R0.54 CC(O)CSCCCCCCCCO 62a_100011218427_100000033203 [0,2,0,0,0,0|1,0,1]=4 11283 B13R0.54 CC/C=C/CCCOCCCC(=O)C 34a_100016287902_100000685027 [0,2,0,0,0,0|1,0,1]=4 11284 B13R0.54 CC/C=C/CCCOCCCC(=O)C 7a_100016287902_100011215641 [0,2,0,0,0,0|1,0,1]=4 11285 B13R0.54 CC/C=C/CCCOCCCC(=O)N 34a_100016287902_100102525003 [0,2,0,0,0,0|1,0,1]=4 11286 B13R0.54 CC/C=C/CCCOCCCC(=O)N 7a_100016287902_100102525003 [0,2,0,0,0,0|1,0,1]=4 11287 B13R0.54 CC/C=C\CCCCCOCC(=O)N 34a_100016268722_100000187820 [0,2,0,0,0,0|1,0,1]=4 11288 B13R0.54 CC/C=C\CCCCCOCC(=O)N 7a_100016268722_100000187820 [0,2,0,0,0,0|1,0,1]=4 11289 B13R0.54 CC/C=C\CCCCCOCC(=O)[O-] 34a_100016268722_100020667443 [0,2,0,0,0,0|0,0,2]=4 11290 B13R0.54 CC/C=C\CCCCOCCC(=O)C 7a_100016287862_100000053229 [0,2,0,0,0,0|1,0,1]=4 11291 B13R0.54 CC/C=C\CCCCOCCC(=O)N 34a_100016287862_100000731001 [0,2,0,0,0,0|1,0,1]=4 11292 B13R0.54 CC/C=C\CCCCOCCC(=O)N 7a_100016287862_100000744528 [0,2,0,0,0,0|1,0,1]=4 11293 B13R0.54 CC/C=C\CCNCCCCC(=O)N 34a_100000696515_100015370543 [0,2,0,0,0,0|1,0,1]=4 11294 B13R0.54 CC/C=C\CCNCCOCC(=O)O 269956a_100000700818_100015370543 [0,2,0,0,0,0|0,0,2]=4 11295 B13R0.54 CC/C=C\CCOCCCCC(=O)C 34a_100016288707_100009817362 [0,2,0,0,0,0|1,0,1]=4 11296 B13R0.54 CC/C=C\CCOCCCCC(=O)C 7a_100016288707_100000735457 [0,2,0,0,0,0|1,0,1]=4 11297 B13R0.54 CC/C=C\CCOCCCCC(=O)N 34a_100012022536_100015370543 [0,2,0,0,0,0|1,0,1]=4 11298 B13R0.54 CC/C=C\CCOCCCCC(=O)N 7a_100012022536_100015370543 [0,2,0,0,0,0|1,0,1]=4 11299 B13R0.54 CC/C=C\CCSCCCCC(=O)C 62a_100000735457_100015370543 [0,2,0,0,0,0|1,0,1]=4 11300 B13R0.54 CC/C=C\CCSCCCCC(=O)C 62a_100015370543_100000735457 [0,2,0,0,0,0|1,0,1]=4 11301 B13R0.54 CC/C=C\COCCCCCC(=O)N 34a_100000123541_100103147603 [0,2,0,0,0,0|1,0,1]=4 11302 B13R0.54 CC/C=C\COCCCCCC(=O)N 34a_100016268518_100009817443 [0,2,0,0,0,0|1,0,1]=4 11303 B13R0.54 CC/C=C\COCCCCCC(=O)N 7a_100000123541_100103147603 [0,2,0,0,0,0|1,0,1]=4 11304 B13R0.54 CC/C=C\COCCCCCC(=O)[O-] 7a_100102619762_100103147603 [0,2,0,0,0,0|0,0,2]=4 11305 B13R0.54 CC/C=C\CSCCCCCC(=O)N 62a_100009817443_100103147603 [0,2,0,0,0,0|1,0,1]=4 11306 B13R0.54 CC/C=C\CSCCCCCC(=O)N 62a_100103147603_100009817443 [0,2,0,0,0,0|1,0,1]=4 11307 B13R0.54 CC=CCCCOCCCCC(=O)C 34a_100020645299_100009817362 [0,2,0,0,0,0|1,0,1]=4 11308 B13R0.54 CCC#CCCOCCCCC(=O)C 34a_100000036655_100009817362 [0,2,0,0,0,0|1,0,1]=4 11309 B13R0.54 CCC#CCCOCCCCC(=O)C 7a_100000036655_100000735457 [0,2,0,0,0,0|1,0,1]=4 11310 B13R0.54 CCC#CCOCCCCCC(=O)N 34a_100000032950_100009817443 [0,2,0,0,0,0|1,0,1]=4 11311 B13R0.54 CCC#CCOCCCCCC(=O)N 34a_100000123541_100009813939 [0,2,0,0,0,0|1,0,1]=4 11312 B13R0.54 CCC#CCOCCCCCC(=O)N 7a_100000123541_100009813939 [0,2,0,0,0,0|1,0,1]=4 11313 B13R0.54 CCC#CCOCCCCCC(=O)[O-] 7a_100102619762_100009813939 [0,2,0,0,0,0|0,0,2]=4 11314 B13R0.54 CCC#CCSCCCCCC(=O)N 62a_100009813939_100009817443 [0,2,0,0,0,0|1,0,1]=4 11315 B13R0.54 CCC#CCSCCCCCC(=O)N 62a_100009817443_100009813939 [0,2,0,0,0,0|1,0,1]=4 11316 B13R0.54 CCC/C=C/COCCCCC(=O)C 34a_100016278788_100009817362 [0,2,0,0,0,0|1,0,1]=4 11317 B13R0.54 CCC/C=C/COCCCCC(=O)C 7a_100016278788_100000735457 [0,2,0,0,0,0|1,0,1]=4 11318 B13R0.54 CCCC#CCCOCCCC(=O)C 34a_100000042726_100000685027 [0,2,0,0,0,0|1,0,1]=4 11319 B13R0.54 CCCC#CCCOCCCC(=O)C 7a_100000042726_100011215641 [0,2,0,0,0,0|1,0,1]=4 11320 B13R0.54 CCCC#CCCOCCCC(=O)N 34a_100000042726_100102525003 [0,2,0,0,0,0|1,0,1]=4 11321 B13R0.54 CCCC#CCCOCCCC(=O)N 7a_100000042726_100102525003 [0,2,0,0,0,0|1,0,1]=4 11322 B13R0.54 CCCC#CCOCCCCC(=O)C 34a_100000034806_100009817362 [0,2,0,0,0,0|1,0,1]=4 11323 B13R0.54 CCCC#CCOCCCCC(=O)C 7a_100000034806_100000735457 [0,2,0,0,0,0|1,0,1]=4 11324 B13R0.54 CCCC/C=C/COCCCC(=O)C 34a_200016272032_100000685027 [0,2,0,0,0,0|1,0,1]=4 11325 B13R0.54 CCCC/C=C/COCCCC(=O)C 7a_200016272032_100011215641 [0,2,0,0,0,0|1,0,1]=4 11326 B13R0.54 CCCC/C=C/COCCCC(=O)N 34a_200016272032_100102525003 [0,2,0,0,0,0|1,0,1]=4 11327 B13R0.54 CCCC/C=C/COCCCC(=O)N 7a_200016272032_100102525003 [0,2,0,0,0,0|1,0,1]=4 11328 B13R0.54 CCCC/C=C\CCOCCC(=O)C 7a_200016286491_100000053229 [0,2,0,0,0,0|1,0,1]=4 11329 B13R0.54 CCCC/C=C\CCOCCC(=O)N 34a_200016286491_100000731001 [0,2,0,0,0,0|1,0,1]=4 11330 B13R0.54 CCCC/C=C\CCOCCC(=O)N 7a_200016286491_100000744528 [0,2,0,0,0,0|1,0,1]=4 11331 B13R0.54 CCCCC#CCCCNCC(=O)N 2230a_100000711301_200000047210 [0,2,0,0,0,0|1,0,1]=4 11332 B13R0.54 CCCCC#CCCCNCC(=O)O 269956a_100016091260_200000047210 [0,2,0,0,0,0|0,0,1]=3 11333 B13R0.54 CCCCC#CCCCOCC(=O)C 34a_100000211253_200000047210 [0,2,0,0,0,0|1,0,1]=4 11334 B13R0.54 CCCCC#CCCCSCC(=O)N 62a_100000747473_200000047210 [0,2,0,0,0,0|1,0,1]=4 11335 B13R0.54 CCCCC#CCCCSCC(=O)N 62a_200000047210_100000747473 [0,2,0,0,0,0|1,0,1]=4 11336 B13R0.54 CCCCC#CCCCSCC(=O)[O-] 62a_100020667443_200000047210 [0,2,0,0,0,0|0,0,2]=4 11337 B13R0.54 CCCCC#CCCCSCC(=O)[O-] 62a_200000047210_100020667443 [0,2,0,0,0,0|0,0,2]=4 11338 B13R0.54 CCCCC#CCCOCCC(=O)C 7a_100000037610_100000053229 [0,2,0,0,0,0|1,0,1]=4 11339 B13R0.54 CCCCC#CCCOCCC(=O)N 34a_100000037610_100000731001 [0,2,0,0,0,0|1,0,1]=4 11340 B13R0.54 CCCCC#CCCOCCC(=O)N 7a_100000037610_100000744528 [0,2,0,0,0,0|1,0,1]=4 11341 B13R0.54 CCCCC#CCOCCCC(=O)C 34a_200000034558_100000685027 [0,2,0,0,0,0|1,0,1]=4 11342 B13R0.54 CCCCC#CCOCCCC(=O)C 7a_200000034558_100011215641 [0,2,0,0,0,0|1,0,1]=4 11343 B13R0.54 CCCCC#CCOCCCC(=O)N 34a_200000034558_100102525003 [0,2,0,0,0,0|1,0,1]=4 11344 B13R0.54 CCCCC#CCOCCCC(=O)N 7a_200000034558_100102525003 [0,2,0,0,0,0|1,0,1]=4 11345 B13R0.54 CCCCC/C=C/COCCC(=O)C 7a_100016258190_100000053229 [0,2,0,0,0,0|1,0,1]=4 11346 B13R0.54 CCCCC/C=C/COCCC(=O)N 34a_100016258190_100000731001 [0,2,0,0,0,0|1,0,1]=4 11347 B13R0.54 CCCCC/C=C/COCCC(=O)N 7a_100016258190_100000744528 [0,2,0,0,0,0|1,0,1]=4 11348 B13R0.54 CCCCC/C=C\CCOCC(=O)N 34a_100016277358_100000187820 [0,2,0,0,0,0|1,0,1]=4 11349 B13R0.54 CCCCC/C=C\CCOCC(=O)N 7a_100016277358_100000187820 [0,2,0,0,0,0|1,0,1]=4 11350 B13R0.54 CCCCC/C=C\CCOCC(=O)[O-] 34a_100016277358_100020667443 [0,2,0,0,0,0|0,0,2]=4 11351 B13R0.54 CCCCCC#CCCOCC(=O)N 34a_200000042877_100000187820 [0,2,0,0,0,0|1,0,1]=4 11352 B13R0.54 CCCCCC#CCCOCC(=O)N 7a_200000042877_100000187820 [0,2,0,0,0,0|1,0,1]=4 11353 B13R0.54 CCCCCC#CCCOCC(=O)[O-] 34a_200000042877_100020667443 [0,2,0,0,0,0|0,0,2]=4 11354 B13R0.54 CCCCCC#CCNOCC(=O)O 269956a_100000106656_100009816472 [0,2,0,0,0,0|0,0,2]=4 11355 B13R0.54 CCCCCC#CCOCCC(=O)C 34a_100000759926_100009816472 [0,2,0,0,0,0|1,0,1]=4 11356 B13R0.54 CCCCCC#CCOCCC(=O)C 7a_100000759926_100009816472 [0,2,0,0,0,0|1,0,1]=4 11357 B13R0.54 CCCCCC#CCOCCC(=O)C 7a_200000033628_100000053229 [0,2,0,0,0,0|1,0,1]=4 11358 B13R0.54 CCCCCC#CCOCCC(=O)N 34a_100000757172_100009816472 [0,2,0,0,0,0|1,0,1]=4 11359 B13R0.54 CCCCCC#CCOCCC(=O)N 34a_200000033628_100000731001 [0,2,0,0,0,0|1,0,1]=4 11360 B13R0.54 CCCCCC#CCOCCC(=O)N 7a_100000757172_100009816472 [0,2,0,0,0,0|1,0,1]=4 11361 B13R0.54 CCCCCC#CCOCCC(=O)N 7a_200000033628_100000744528 [0,2,0,0,0,0|1,0,1]=4 11362 B13R0.54 CCCCCC#CCSCCC(=O)C 62a_100000053229_100009816472 [0,2,0,0,0,0|1,0,1]=4 11363 B13R0.54 CCCCCC#CCSCCC(=O)C 62a_100009816472_100000053229 [0,2,0,0,0,0|1,0,1]=4 11364 B13R0.54 CCCCCC#CCSCCC(=O)N 62a_100000744528_100009816472 [0,2,0,0,0,0|1,0,1]=4 11365 B13R0.54 CCCCCC#CCSCCC(=O)N 62a_100009816472_100000744528 [0,2,0,0,0,0|1,0,1]=4 11366 B13R0.54 CCCCCC/C=C/COCC(=O)N 34a_200016276170_100000187820 [0,2,0,0,0,0|1,0,1]=4 11367 B13R0.54 CCCCCC/C=C/COCC(=O)N 7a_200016276170_100000187820 [0,2,0,0,0,0|1,0,1]=4 11368 B13R0.54 CCCCCC/C=C/COCC(=O)[O-] 34a_200016276170_100020667443 [0,2,0,0,0,0|0,0,2]=4 11369 B13R0.54 CCCCCCC#CCOCC(=O)N 34a_200000037284_100000187820 [0,2,0,0,0,0|1,0,1]=4 11370 B13R0.54 CCCCCCC#CCOCC(=O)N 7a_200000037284_100000187820 [0,2,0,0,0,0|1,0,1]=4 11371 B13R0.54 CCCCCCC#CCOCC(=O)[O-] 34a_200000037284_100020667443 [0,2,0,0,0,0|0,0,2]=4 11372 B13R0.54 CCCCCCCCC=NNC(=O)C 4a_100000189765_100011218696 [0,2,0,0,0,0|1,0,1]=4 11373 B13R0.54 CCCCCCCCCC=CC(=O)C 1458a_200015352897_200000210301 [0,2,0,0,0,0|1,0,0]=3 11374 B13R0.54 CCCCCCCCCC=CC(=O)[13CH3] 1458a_200015352897_200025704644 [0,2,0,0,0,0|1,0,0]=3 11375 B13R0.54 CCCCCCCCCCCC(=O)C 1458a_100000070787_100011215454 [0,2,0,0,0,0|1,0,0]=3 11376 B13R0.54 CCCCCCCCCCCC(=O)C 1458a_100000210736_200000210301 [0,2,0,0,0,0|1,0,0]=3 11377 B13R0.54 CCCCCCCCCCCC(=O)[13CH3] 1458a_100000210736_200025704644 [0,2,0,0,0,0|1,0,0]=3 11378 B13R0.54 CCCCCCCCCCNC(=O)C 11a_100000684558_100015343762 [0,2,0,0,0,0|1,0,0]=3 11379 B13R0.54 CCCCCCCCCCNC(=O)C 1626a_100000684558_100015343762 [0,2,0,0,0,0|1,0,0]=3 11380 B13R0.54 CCCCCCCCCCNC(=O)C 240690a_100000684558_100015343762 [0,2,0,0,0,0|1,0,0]=3 11381 B13R0.54 CCCCCCCCCCNC(=O)C 527a_100000684558_100103153847 [0,2,0,0,0,0|1,0,0]=3 11382 B13R0.54 CCCCCCCCCNCC(=O)N 2230a_100000212291_100000747473 [0,2,0,0,0,0|1,0,0]=3 11383 B13R0.54 CCCCCCCCCNCC(=O)N 2230a_100000711301_100011214924 [0,2,0,0,0,0|1,0,0]=3 11384 B13R0.54 CCCCCCCCCNCC(=O)N 34a_100000212291_100000187820 [0,2,0,0,0,0|1,0,0]=3 11385 B13R0.54 CCCCCCCCCNCC(=O)O 269956a_100016091260_100000210670 [0,2,0,0,0,0|0,0,0]=2 11386 B13R0.54 CCCCCCCCCNCC(=O)[O-] 34a_100000212291_100020667443 [0,2,0,0,0,0|0,0,1]=3 11387 B13R0.54 CCCCCCCCCNCC(C)O 2230a_100000210904_100011214924 [0,2,0,0,0,0|1,0,1]=4 11388 B13R0.54 CCCCCCCCCNCC(C)O 2230a_100000212291_100011218427 [0,2,0,0,0,0|1,0,1]=4 11389 B13R0.54 CCCCCCCCCNCC(C)O 34a_100000210904_100011214924 [0,2,0,0,0,0|1,0,1]=4 11390 B13R0.54 CCCCCCCCCNCC(C)O 34a_100000212291_100011218427 [0,2,0,0,0,0|1,0,1]=4 11391 B13R0.54 CCCCCCCCCNC[C@@H](C)O 2230a_100000212291_100009817552 [0,2,0,0,0,0|1,0,1]=4 11392 B13R0.54 CCCCCCCCCNC[C@@H](C)O 34a_100000212291_100009817552 [0,2,0,0,0,0|1,0,1]=4 11393 B13R0.54 CCCCCCCCCNC[N+](=O)[O-] 34a_100000212291_100000761209 [0,2,0,0,0,0|1,0,1]=4 11394 B13R0.54 CCCCCCCCCOCC(=O)C 34a_100000211253_100011214924 [0,2,0,0,0,0|1,0,0]=3 11395 B13R0.54 CCCCCCCCCOCC(=O)N 34a_100000210712_100000187820 [0,2,0,0,0,0|1,0,0]=3 11396 B13R0.54 CCCCCCCCCOCC(=O)N 7a_100000210712_100000187820 [0,2,0,0,0,0|1,0,0]=3 11397 B13R0.54 CCCCCCCCCOCC(=O)[O-] 34a_100000210712_100020667443 [0,2,0,0,0,0|0,0,1]=3 11398 B13R0.54 CCCCCCCCCOCC(C)O 34a_100000210712_100011218427 [0,2,0,0,0,0|1,0,1]=4 11399 B13R0.54 CCCCCCCCCOCC(C)O 7a_100000210712_100011218427 [0,2,0,0,0,0|1,0,1]=4 11400 B13R0.54 CCCCCCCCCOC[C@@H](C)O 34a_100000210712_100009817552 [0,2,0,0,0,0|1,0,1]=4 11401 B13R0.54 CCCCCCCCCOC[C@@H](C)O 7a_100000210712_100009817552 [0,2,0,0,0,0|1,0,1]=4 11402 B13R0.54 CCCCCCCCCOC[N+](=O)[O-] 34a_100000210712_100000761209 [0,2,0,0,0,0|1,0,1]=4 11403 B13R0.54 CCCCCCCCCSCC(=O)N 62a_100000747473_100000210670 [0,2,0,0,0,0|1,0,0]=3 11404 B13R0.54 CCCCCCCCCSCC(=O)[O-] 62a_100020667443_100000210670 [0,2,0,0,0,0|0,0,1]=3 11405 B13R0.54 CCCCCCCCCSCC(C)O 62a_100011218427_100000210670 [0,2,0,0,0,0|1,0,1]=4 11406 B13R0.54 CCCCCCCCCSC[C@@H](C)O 62a_100009817552_100000210670 [0,2,0,0,0,0|1,0,1]=4 11407 B13R0.54 CCCCCCCCNCC=C(C)C 2230a_100000229939_100000761012 [0,2,0,0,0,0|2,0,0]=4 11408 B13R0.54 CCCCCCCCNCC=C(C)C 34a_100000229939_100000761012 [0,2,0,0,0,0|2,0,0]=4 11409 B13R0.54 CCCCCCCCNCC=C(C)C 34a_100000718196_100000210759 [0,2,0,0,0,0|2,0,0]=4 11410 B13R0.54 CCCCCCCCNCCC(=O)N 2230a_100000229939_100000744528 [0,2,0,0,0,0|1,0,0]=3 11411 B13R0.54 CCCCCCCCNCCC(=O)N 34a_100000229939_100000731001 [0,2,0,0,0,0|1,0,0]=3 11412 B13R0.54 CCCCCCCCNCCC(C)O 2230a_100000229939_100012276601 [0,2,0,0,0,0|1,0,1]=4 11413 B13R0.54 CCCCCCCCNCCC(C)O 2230a_200000755665_100000210759 [0,2,0,0,0,0|1,0,1]=4 11414 B13R0.54 CCCCCCCCNCCC(C)O 34a_100000229939_100012276601 [0,2,0,0,0,0|1,0,1]=4 11415 B13R0.54 CCCCCCCCNCOC(=O)C 34a_100000229939_100009813279 [0,2,0,0,0,0|1,0,0]=3 11416 B13R0.54 CCCCCCCCNOCC(=O)O 269956a_100000106656_100000210759 [0,2,0,0,0,0|0,0,0]=2 11417 B13R0.54 CCCCCCCCOCC=C(C)C 34a_100000210232_100000761012 [0,2,0,0,0,0|2,0,0]=4 11418 B13R0.54 CCCCCCCCOCC=C(C)C 34a_100000753907_100000210759 [0,2,0,0,0,0|2,0,0]=4 11419 B13R0.54 CCCCCCCCOCC=C(C)C 7a_100000210232_100000761012 [0,2,0,0,0,0|2,0,0]=4 11420 B13R0.54 CCCCCCCCOCCC(=O)C 34a_100000759926_100000210759 [0,2,0,0,0,0|1,0,0]=3 11421 B13R0.54 CCCCCCCCOCCC(=O)C 7a_100000210232_100000053229 [0,2,0,0,0,0|1,0,0]=3 11422 B13R0.54 CCCCCCCCOCCC(=O)C 7a_100000759926_100000210759 [0,2,0,0,0,0|1,0,0]=3 11423 B13R0.54 CCCCCCCCOCCC(=O)N 34a_100000210232_100000731001 [0,2,0,0,0,0|1,0,0]=3 11424 B13R0.54 CCCCCCCCOCCC(=O)N 34a_100000757172_100000210759 [0,2,0,0,0,0|1,0,0]=3 11425 B13R0.54 CCCCCCCCOCCC(=O)N 7a_100000210232_100000744528 [0,2,0,0,0,0|1,0,0]=3 11426 B13R0.54 CCCCCCCCOCCC(=O)N 7a_100000757172_100000210759 [0,2,0,0,0,0|1,0,0]=3 11427 B13R0.54 CCCCCCCCOCCC(C)O 34a_100000210232_100012276601 [0,2,0,0,0,0|1,0,1]=4 11428 B13R0.54 CCCCCCCCOCCC(C)O 7a_100000210232_100012276601 [0,2,0,0,0,0|1,0,1]=4 11429 B13R0.54 CCCCCCCCOCOC(=O)C 34a_100000210232_100009813279 [0,2,0,0,0,0|1,0,0]=3 11430 B13R0.54 CCCCCCCCSCC=C(C)C 62a_100000210759_100000761012 [0,2,0,0,0,0|2,0,0]=4 11431 B13R0.54 CCCCCCCCSCC=C(C)C 62a_100000761012_100000210317 [0,2,0,0,0,0|2,0,0]=4 11432 B13R0.54 CCCCCCCCSCCC(=O)C 62a_100000053229_100000210317 [0,2,0,0,0,0|1,0,0]=3 11433 B13R0.54 CCCCCCCCSCCC(=O)C 62a_100000210759_100000053229 [0,2,0,0,0,0|1,0,0]=3 11434 B13R0.54 CCCCCCCCSCCC(=O)N 62a_100000210759_100000744528 [0,2,0,0,0,0|1,0,0]=3 11435 B13R0.54 CCCCCCCCSCCC(=O)N 62a_100000744528_100000210317 [0,2,0,0,0,0|1,0,0]=3 11436 B13R0.54 CCCCCCCCSCCC(C)O 62a_100000210759_100012276601 [0,2,0,0,0,0|1,0,1]=4 11437 B13R0.54 CCCCCCCCSCCC(C)O 62a_100012276601_100000210317 [0,2,0,0,0,0|1,0,1]=4 11438 B13R0.54 CCCCCCCCSCOC(=O)C 62a_100000076356_100000210317 [0,2,0,0,0,0|1,0,0]=3 11439 B13R0.54 CCCCCCCCSCOC(=O)C 62a_100000210759_100000076356 [0,2,0,0,0,0|1,0,0]=3 11440 B13R0.54 CCCCCCCNCCC=C(C)C 2230a_100000229938_100011217483 [0,2,0,0,0,0|2,0,0]=4 11441 B13R0.54 CCCCCCCNCCC=C(F)F 2230a_100000229938_200009816681 [0,2,0,0,0,0|2,0,0]=4 11442 B13R0.54 CCCCCCCNCCCC(=O)N 34a_100000739312_100000210614 [0,2,0,0,0,0|1,0,0]=3 11443 B13R0.54 CCCCCCCNCCCC(C)O 2230a_100000229938_200000718107 [0,2,0,0,0,0|1,0,1]=4 11444 B13R0.54 CCCCCCCNCCCS(=O)C 2230a_200000753449_100000210681 [0,2,0,0,0,0|2,0,0]=4 11445 B13R0.54 CCCCCCCNCCNC(=O)C 2230a_100000209853_100000210681 [0,2,0,0,0,0|1,0,0]=3 11446 B13R0.54 CCCCCCCNCCNC(=O)C 2230a_100000229938_100000189650 [0,2,0,0,0,0|1,0,0]=3 11447 B13R0.54 CCCCCCCNCCNC(=O)N 2230a_100000229938_200000034859 [0,2,0,0,0,0|1,0,0]=3 11448 B13R0.54 CCCCCCCNCCNC(=O)N 34a_100020590234_100000210614 [0,2,0,0,0,0|1,0,0]=3 11449 B13R0.54 CCCCCCCOCCC=C(C)C 34a_100000210272_100011217483 [0,2,0,0,0,0|2,0,0]=4 11450 B13R0.54 CCCCCCCOCCC=C(C)C 7a_100000210272_100011217483 [0,2,0,0,0,0|2,0,0]=4 11451 B13R0.54 CCCCCCCOCCC=C(F)F 34a_100000210272_200009816681 [0,2,0,0,0,0|2,0,0]=4 11452 B13R0.54 CCCCCCCOCCC=C(F)F 7a_100000210272_200009816681 [0,2,0,0,0,0|2,0,0]=4 11453 B13R0.54 CCCCCCCOCCCC(=O)C 34a_100000210272_100000685027 [0,2,0,0,0,0|1,0,0]=3 11454 B13R0.54 CCCCCCCOCCCC(=O)C 34a_100000759063_100000210614 [0,2,0,0,0,0|1,0,0]=3 11455 B13R0.54 CCCCCCCOCCCC(=O)C 7a_100000210272_100011215641 [0,2,0,0,0,0|1,0,0]=3 11456 B13R0.54 CCCCCCCOCCCC(=O)C 7a_100000759063_100000210614 [0,2,0,0,0,0|1,0,0]=3 11457 B13R0.54 CCCCCCCOCCCC(=O)N 34a_100000210272_100102525003 [0,2,0,0,0,0|1,0,0]=3 11458 B13R0.54 CCCCCCCOCCCC(=O)N 7a_100000210272_100102525003 [0,2,0,0,0,0|1,0,0]=3 11459 B13R0.54 CCCCCCCOCCCC(C)O 34a_100000210272_200000718107 [0,2,0,0,0,0|1,0,1]=4 11460 B13R0.54 CCCCCCCOCCCC(C)O 7a_100000210272_200000718107 [0,2,0,0,0,0|1,0,1]=4 11461 B13R0.54 CCCCCCCOCCC[N+](=O)[O-] 34a_200000037920_100000210614 [0,2,0,0,0,0|1,0,1]=4 11462 B13R0.54 CCCCCCCOCCNC(=O)C 34a_100000158858_100000210614 [0,2,0,0,0,0|1,0,0]=3 11463 B13R0.54 CCCCCCCOCCNC(=O)C 7a_100000210272_100000189650 [0,2,0,0,0,0|1,0,0]=3 11464 B13R0.54 CCCCCCCOCCNC(=O)N 34a_100000181757_100000210614 [0,2,0,0,0,0|1,0,0]=3 11465 B13R0.54 CCCCCCCOCCNC(=O)N 7a_100000210272_200000034859 [0,2,0,0,0,0|1,0,0]=3 11466 B13R0.54 CCCCCCCOCCOC(=O)C 34a_100000210272_100009814007 [0,2,0,0,0,0|1,0,0]=3 11467 B13R0.54 CCCCCCCOCCOC(=O)C 7a_100000210272_100009814007 [0,2,0,0,0,0|1,0,0]=3 11468 B13R0.54 CCCCCCCOCCOC(=O)N 34a_100000210272_200011214921 [0,2,0,0,0,0|1,0,0]=3 11469 B13R0.54 CCCCCCCOCCOC(=O)N 7a_100000210272_200011214921 [0,2,0,0,0,0|1,0,0]=3 11470 B13R0.54 CCCCCCCOCCOC(=O)N 7a_100000766696_100000210614 [0,2,0,0,0,0|1,0,0]=3 11471 B13R0.54 CCCCCCCSCCC=C(C)C 62a_100000210614_100011217483 [0,2,0,0,0,0|2,0,0]=4 11472 B13R0.54 CCCCCCCSCCC=C(C)C 62a_100011217483_100000210316 [0,2,0,0,0,0|2,0,0]=4 11473 B13R0.54 CCCCCCCSCCC=C(F)F 62a_100000210614_200009816681 [0,2,0,0,0,0|2,0,0]=4 11474 B13R0.54 CCCCCCCSCCC=C(F)F 62a_200009816681_100000210316 [0,2,0,0,0,0|2,0,0]=4 11475 B13R0.54 CCCCCCCSCCCC(=O)C 62a_100000210614_100011215641 [0,2,0,0,0,0|1,0,0]=3 11476 B13R0.54 CCCCCCCSCCCC(=O)C 62a_100011215641_100000210316 [0,2,0,0,0,0|1,0,0]=3 11477 B13R0.54 CCCCCCCSCCCC(=O)N 62a_100000210614_100102525003 [0,2,0,0,0,0|1,0,0]=3 11478 B13R0.54 CCCCCCCSCCCC(=O)N 62a_100102525003_100000210316 [0,2,0,0,0,0|1,0,0]=3 11479 B13R0.54 CCCCCCCSCCCC(C)O 62a_100000210614_200000718107 [0,2,0,0,0,0|1,0,1]=4 11480 B13R0.54 CCCCCCCSCCCC(C)O 62a_200000718107_100000210316 [0,2,0,0,0,0|1,0,1]=4 11481 B13R0.54 CCCCCCCSCCNC(=O)C 62a_100000189650_100000210316 [0,2,0,0,0,0|1,0,0]=3 11482 B13R0.54 CCCCCCCSCCNC(=O)C 62a_100000210614_100000189650 [0,2,0,0,0,0|1,0,0]=3 11483 B13R0.54 CCCCCCCSCCNC(=O)N 62a_100000210614_200000034859 [0,2,0,0,0,0|1,0,0]=3 11484 B13R0.54 CCCCCCCSCCNC(=O)N 62a_200000034859_100000210316 [0,2,0,0,0,0|1,0,0]=3 11485 B13R0.54 CCCCCCCSCCOC(=O)C 62a_100000210614_100009814007 [0,2,0,0,0,0|1,0,0]=3 11486 B13R0.54 CCCCCCCSCCOC(=O)C 62a_100009814007_100000210316 [0,2,0,0,0,0|1,0,0]=3 11487 B13R0.54 CCCCCCCSCCOC(=O)N 62a_100000210614_200011214921 [0,2,0,0,0,0|1,0,0]=3 11488 B13R0.54 CCCCCCCSCCOC(=O)N 62a_200011214921_100000210316 [0,2,0,0,0,0|1,0,0]=3 11489 B13R0.54 CCCCCCNCCCCB(O)O 2230a_100000210581_200009817182 [0,2,0,0,0,0|1,0,1]=4 11490 B13R0.54 CCCCCCNCCCCC(=O)N 34a_100000696515_100000210314 [0,2,0,0,0,0|1,0,0]=3 11491 B13R0.54 CCCCCCNCCCNC(=O)C 34a_100000736810_100000210314 [0,2,0,0,0,0|1,0,0]=3 11492 B13R0.54 CCCCCCNCCCOC(=S)C 2230a_100000210581_200135323944 [0,2,0,0,0,0|1,1,0]=4 11493 B13R0.54 CCCCCCNCCCSC(=O)C 2230a_100000210581_100000038929 [0,2,0,0,0,0|1,0,0]=3 11494 B13R0.54 CCCCCCNCCOCC(=O)N 2230a_100000210581_100000076697 [0,2,0,0,0,0|1,0,0]=3 11495 B13R0.54 CCCCCCNCCOCC(=O)O 269956a_100000700818_100000210757 [0,2,0,0,0,0|0,0,0]=2 11496 B13R0.54 CCCCCCOCCCCB(O)O 34a_100000210259_200009817182 [0,2,0,0,0,0|1,0,1]=4 11497 B13R0.54 CCCCCCOCCCCB(O)O 7a_100000210259_200009817182 [0,2,0,0,0,0|1,0,1]=4 11498 B13R0.54 CCCCCCOCCCCC(=O)C 34a_100000210259_100009817362 [0,2,0,0,0,0|1,0,0]=3 11499 B13R0.54 CCCCCCOCCCCC(=O)C 7a_100000210259_100000735457 [0,2,0,0,0,0|1,0,0]=3 11500 B13R0.54 CCCCCCOCCCCC(=O)N 34a_100012022536_100000210314 [0,2,0,0,0,0|1,0,0]=3 11501 B13R0.54 CCCCCCOCCCCC(=O)N 7a_100012022536_100000210314 [0,2,0,0,0,0|1,0,0]=3 11502 B13R0.54 CCCCCCOCCCC[N+](=O)[O-] 34a_200015379883_100000210314 [0,2,0,0,0,0|1,0,1]=4 11503 B13R0.54 CCCCCCOCCCC[N+](=O)[O-] 7a_200015379883_100000210314 [0,2,0,0,0,0|1,0,1]=4 11504 B13R0.54 CCCCCCOCCCNC(=O)C 34a_100000752032_100000210314 [0,2,0,0,0,0|1,0,0]=3 11505 B13R0.54 CCCCCCOCCCOC(=O)C 34a_100000210259_100000042594 [0,2,0,0,0,0|1,0,0]=3 11506 B13R0.54 CCCCCCOCCCOC(=O)C 7a_100000210259_100000042594 [0,2,0,0,0,0|1,0,0]=3 11507 B13R0.54 CCCCCCOCCCOC(=S)C 34a_100000210259_200135323944 [0,2,0,0,0,0|1,1,0]=4 11508 B13R0.54 CCCCCCOCCCOC(=S)C 7a_100000210259_200135323944 [0,2,0,0,0,0|1,1,0]=4 11509 B13R0.54 CCCCCCOCCCSC(=O)C 34a_100000210259_100000038929 [0,2,0,0,0,0|1,0,0]=3 11510 B13R0.54 CCCCCCOCCCSC(=O)C 7a_100000210259_100000038929 [0,2,0,0,0,0|1,0,0]=3 11511 B13R0.54 CCCCCCOCCOCC(=O)N 34a_100000210259_100000076697 [0,2,0,0,0,0|1,0,0]=3 11512 B13R0.54 CCCCCCOCCOCC(=O)N 34a_100000691444_100000187820 [0,2,0,0,0,0|1,0,0]=3 11513 B13R0.54 CCCCCCOCCOCC(=O)N 7a_100000210259_100000076697 [0,2,0,0,0,0|1,0,0]=3 11514 B13R0.54 CCCCCCOCCOCC(=O)N 7a_100000691444_100000187820 [0,2,0,0,0,0|1,0,0]=3 11515 B13R0.54 CCCCCCOCCOCC(=O)[O-] 34a_100000691444_100020667443 [0,2,0,0,0,0|0,0,1]=3 11516 B13R0.54 CCCCCCOCCOCC(C)O 34a_100000691444_100011218427 [0,2,0,0,0,0|1,0,1]=4 11517 B13R0.54 CCCCCCOCCOCC(C)O 7a_100000691444_100011218427 [0,2,0,0,0,0|1,0,1]=4 11518 B13R0.54 CCCCCCOCCOC[C@@H](C)O 34a_100000691444_100009817552 [0,2,0,0,0,0|1,0,1]=4 11519 B13R0.54 CCCCCCOCCOC[C@@H](C)O 7a_100000691444_100009817552 [0,2,0,0,0,0|1,0,1]=4 11520 B13R0.54 CCCCCCOCCOC[N+](=O)[O-] 34a_100000691444_100000761209 [0,2,0,0,0,0|1,0,1]=4 11521 B13R0.54 CCCCCCSCCCCB(O)O 62a_100000210314_200009817182 [0,2,0,0,0,0|1,0,1]=4 11522 B13R0.54 CCCCCCSCCCCB(O)O 62a_200009817182_100000210757 [0,2,0,0,0,0|1,0,1]=4 11523 B13R0.54 CCCCCCSCCCCC(=O)C 62a_100000210314_100000735457 [0,2,0,0,0,0|1,0,0]=3 11524 B13R0.54 CCCCCCSCCCCC(=O)C 62a_100000735457_100000210757 [0,2,0,0,0,0|1,0,0]=3 11525 B13R0.54 CCCCCCSCCCOC(=O)C 62a_100000042594_100000210757 [0,2,0,0,0,0|1,0,0]=3 11526 B13R0.54 CCCCCCSCCCOC(=O)C 62a_100000210314_100000042594 [0,2,0,0,0,0|1,0,0]=3 11527 B13R0.54 CCCCCCSCCCOC(=S)C 62a_100000210314_200135323944 [0,2,0,0,0,0|1,1,0]=4 11528 B13R0.54 CCCCCCSCCCOC(=S)C 62a_200135323944_100000210757 [0,2,0,0,0,0|1,1,0]=4 11529 B13R0.54 CCCCCCSCCCSC(=O)C 62a_100000038929_100000210757 [0,2,0,0,0,0|1,0,0]=3 11530 B13R0.54 CCCCCCSCCCSC(=O)C 62a_100000210314_100000038929 [0,2,0,0,0,0|1,0,0]=3 11531 B13R0.54 CCCCCCSCCOCC(=O)N 62a_100000076697_100000210757 [0,2,0,0,0,0|1,0,0]=3 11532 B13R0.54 CCCCCCSCCOCC(=O)N 62a_100000210314_100000076697 [0,2,0,0,0,0|1,0,0]=3 11533 B13R0.54 CCCCCNCCCCCB(O)O 2230a_100000209983_200009817188 [0,2,0,0,0,0|1,0,1]=4 11534 B13R0.54 CCCCCNCCCCCC(=O)N 2230a_100000209983_100009817443 [0,2,0,0,0,0|1,0,0]=3 11535 B13R0.54 CCCCCNCCCCNC(=O)C 2230a_200011368371_100000210326 [0,2,0,0,0,0|1,0,0]=3 11536 B13R0.54 CCCCCNCCCCNC(=O)C 34a_200011368371_100000718602 [0,2,0,0,0,0|1,0,0]=3 11537 B13R0.54 CCCCCNCCCCSC(=O)C 2230a_100000209983_200010402107 [0,2,0,0,0,0|1,0,0]=3 11538 B13R0.54 CCCCCNCCOCCC(=O)N 34a_100000224656_100000731001 [0,2,0,0,0,0|1,0,0]=3 11539 B13R0.54 CCCCCNCCOCCC(C)O 34a_100000224656_100012276601 [0,2,0,0,0,0|1,0,1]=4 11540 B13R0.54 CCCCCNCCOCOC(=O)C 34a_100000224656_100009813279 [0,2,0,0,0,0|2,0,0]=4 11541 B13R0.54 CCCCCOCCCCCB(O)O 34a_100000210253_200009817188 [0,2,0,0,0,0|1,0,1]=4 11542 B13R0.54 CCCCCOCCCCCB(O)O 7a_100000210253_200009817188 [0,2,0,0,0,0|1,0,1]=4 11543 B13R0.54 CCCCCOCCCCCC(=O)N 34a_100000123541_100000718602 [0,2,0,0,0,0|1,0,0]=3 11544 B13R0.54 CCCCCOCCCCCC(=O)N 34a_100000210253_100009817443 [0,2,0,0,0,0|1,0,0]=3 11545 B13R0.54 CCCCCOCCCCCC(=O)N 7a_100000123541_100000210326 [0,2,0,0,0,0|1,0,0]=3 11546 B13R0.54 CCCCCOCCCCCC(=O)N 7a_100000210253_100009817443 [0,2,0,0,0,0|1,0,0]=3 11547 B13R0.54 CCCCCOCCCCCC(=O)[O-] 7a_100102619762_100000210326 [0,2,0,0,0,0|0,0,1]=3 11548 B13R0.54 CCCCCOCCCCOC(=O)C 34a_100000073216_100000718602 [0,2,0,0,0,0|1,0,0]=3 11549 B13R0.54 CCCCCOCCCCOC(=O)C 34a_100000210253_100000033659 [0,2,0,0,0,0|1,0,0]=3 11550 B13R0.54 CCCCCOCCCCOC(=O)C 7a_100000073216_100000210326 [0,2,0,0,0,0|1,0,0]=3 11551 B13R0.54 CCCCCOCCCCOC(=O)C 7a_100000210253_100000033659 [0,2,0,0,0,0|1,0,0]=3 11552 B13R0.54 CCCCCOCCCCO[N+](=O)[O-] 34a_100000210253_100015694321 [0,2,0,0,0,0|1,0,1]=4 11553 B13R0.54 CCCCCOCCCCO[N+](=O)[O-] 7a_100000210253_100015694321 [0,2,0,0,0,0|1,0,1]=4 11554 B13R0.54 CCCCCOCCCCSC(=O)C 34a_100000210253_200010402107 [0,2,0,0,0,0|1,0,0]=3 11555 B13R0.54 CCCCCOCCCCSC(=O)C 7a_100000210253_200010402107 [0,2,0,0,0,0|1,0,0]=3 11556 B13R0.54 CCCCCOCCOCCC(=O)C 7a_100011215259_100000053229 [0,2,0,0,0,0|1,0,0]=3 11557 B13R0.54 CCCCCOCCOCCC(=O)N 34a_100011215259_100000731001 [0,2,0,0,0,0|1,0,0]=3 11558 B13R0.54 CCCCCOCCOCCC(=O)N 7a_100011215259_100000744528 [0,2,0,0,0,0|1,0,0]=3 11559 B13R0.54 CCCCCOCCOCCC(C)O 34a_100011215259_100012276601 [0,2,0,0,0,0|1,0,1]=4 11560 B13R0.54 CCCCCOCCOCCC(C)O 7a_100011215259_100012276601 [0,2,0,0,0,0|1,0,1]=4 11561 B13R0.54 CCCCCOCCOCOC(=O)C 34a_100011215259_100009813279 [0,2,0,0,0,0|2,0,0]=4 11562 B13R0.54 CCCCCOCOCCOC(=O)C 34a_100000210253_100000076355 [0,2,0,0,0,0|2,0,0]=4 11563 B13R0.54 CCCCCSCCCCCB(O)O 62a_100000210326_200009817188 [0,2,0,0,0,0|1,0,1]=4 11564 B13R0.54 CCCCCSCCCCCB(O)O 62a_200009817188_100000210326 [0,2,0,0,0,0|1,0,1]=4 11565 B13R0.54 CCCCCSCCCCCC(=O)N 62a_100000210326_100009817443 [0,2,0,0,0,0|1,0,0]=3 11566 B13R0.54 CCCCCSCCCCCC(=O)N 62a_100009817443_100000210326 [0,2,0,0,0,0|1,0,0]=3 11567 B13R0.54 CCCCCSCCCCOC(=O)C 62a_100000033659_100000210326 [0,2,0,0,0,0|1,0,0]=3 11568 B13R0.54 CCCCCSCCCCOC(=O)C 62a_100000210326_100000033659 [0,2,0,0,0,0|1,0,0]=3 11569 B13R0.54 CCCCCSCCCCO[N+](=O)[O-] 62a_100000210326_100015694321 [0,2,0,0,0,0|1,0,1]=4 11570 B13R0.54 CCCCCSCCCCSC(=O)C 62a_100000210326_200010402107 [0,2,0,0,0,0|1,0,0]=3 11571 B13R0.54 CCCCCSCCCCSC(=O)C 62a_200010402107_100000210326 [0,2,0,0,0,0|1,0,0]=3 11572 B13R0.54 CCCCCSCOCCOC(=O)C 62a_100000076355_100000210326 [0,2,0,0,0,0|2,0,0]=4 11573 B13R0.54 CCCCCSCOCCOC(=O)C 62a_100000210326_100000076355 [0,2,0,0,0,0|2,0,0]=4 11574 B13R0.54 CCCCNCCCCCCB(O)O 2230a_100000102301_100009817187 [0,2,0,0,0,0|1,0,1]=4 11575 B13R0.54 CCCCNCCCCCCB(O)O 7a_106832991798_100009817187 [0,2,0,0,0,0|1,0,1]=4 11576 B13R0.54 CCCCNCCCCCNC(=O)C 2230a_200012022750_100000210211 [0,2,0,0,0,0|1,0,0]=3 11577 B13R0.54 CCCCNCCCCCNC(=O)C 34a_200012022750_100000210210 [0,2,0,0,0,0|1,0,0]=3 11578 B13R0.54 CCCCNCCCCCOC(=O)C 2230a_100000102301_100009813381 [0,2,0,0,0,0|1,0,0]=3 11579 B13R0.54 CCCCNCCCCCOC(=O)C 7a_106832991798_100000033007 [0,2,0,0,0,0|1,0,0]=3 11580 B13R0.54 CCCCNCCCCOCC(=O)N 34a_200011216965_100000187820 [0,2,0,0,0,0|1,0,0]=3 11581 B13R0.54 CCCCNCCCCOCC(=O)[O-] 34a_200011216965_100020667443 [0,2,0,0,0,0|0,0,1]=3 11582 B13R0.54 CCCCNCCCCOCC(C)O 34a_200011216965_100011218427 [0,2,0,0,0,0|1,0,1]=4 11583 B13R0.54 CCCCNCCCCOC[C@@H](C)O 34a_200011216965_100009817552 [0,2,0,0,0,0|1,0,1]=4 11584 B13R0.54 CCCCNCCCCOC[N+](=O)[O-] 34a_200011216965_100000761209 [0,2,0,0,0,0|1,0,1]=4 11585 B13R0.54 CCCCNCCOCCOC(=O)C 2230a_100000102301_200000083610 [0,2,0,0,0,0|2,0,0]=4 11586 B13R0.54 CCCCNCCOCCOC(=O)C 7a_106832991798_200000083610 [0,2,0,0,0,0|2,0,0]=4 11587 B13R0.54 CCCCOCCCCCCB(O)O 34a_100000210227_100009817187 [0,2,0,0,0,0|1,0,1]=4 11588 B13R0.54 CCCCOCCCCCCB(O)O 7a_100000210227_100009817187 [0,2,0,0,0,0|1,0,1]=4 11589 B13R0.54 CCCCOCCCCCOC(=O)C 34a_100000210227_100000033007 [0,2,0,0,0,0|1,0,0]=3 11590 B13R0.54 CCCCOCCCCCOC(=O)C 7a_100000210227_100000033007 [0,2,0,0,0,0|1,0,0]=3 11591 B13R0.54 CCCCOCCCCOCC(=O)N 34a_200000760531_100000187820 [0,2,0,0,0,0|1,0,0]=3 11592 B13R0.54 CCCCOCCCCOCC(=O)N 7a_200000760531_100000187820 [0,2,0,0,0,0|1,0,0]=3 11593 B13R0.54 CCCCOCCCCOCC(=O)[O-] 34a_200000760531_100020667443 [0,2,0,0,0,0|0,0,1]=3 11594 B13R0.54 CCCCOCCCCOCC(C)O 34a_200000760531_100011218427 [0,2,0,0,0,0|1,0,1]=4 11595 B13R0.54 CCCCOCCCCOCC(C)O 7a_200000760531_100011218427 [0,2,0,0,0,0|1,0,1]=4 11596 B13R0.54 CCCCOCCCCOC[C@@H](C)O 34a_200000760531_100009817552 [0,2,0,0,0,0|1,0,1]=4 11597 B13R0.54 CCCCOCCCCOC[C@@H](C)O 7a_200000760531_100009817552 [0,2,0,0,0,0|1,0,1]=4 11598 B13R0.54 CCCCOCCCCOC[N+](=O)[O-] 34a_200000760531_100000761209 [0,2,0,0,0,0|1,0,1]=4 11599 B13R0.54 CCCCOCCCNCCC(=O)N 2230a_200000211371_100000744528 [0,2,0,0,0,0|1,0,0]=3 11600 B13R0.54 CCCCOCCCNCCC(=O)N 34a_200000211371_100000731001 [0,2,0,0,0,0|1,0,0]=3 11601 B13R0.54 CCCCOCCCNCCC(C)O 2230a_200000211371_100012276601 [0,2,0,0,0,0|1,0,1]=4 11602 B13R0.54 CCCCOCCCNCCC(C)O 34a_200000211371_100012276601 [0,2,0,0,0,0|1,0,1]=4 11603 B13R0.54 CCCCOCCCNCOC(=O)C 34a_200000211371_100009813279 [0,2,0,0,0,0|2,0,0]=4 11604 B13R0.54 CCCCOCCCOCCC(=O)C 7a_200011215613_100000053229 [0,2,0,0,0,0|1,0,0]=3 11605 B13R0.54 CCCCOCCCOCCC(=O)N 34a_200011215613_100000731001 [0,2,0,0,0,0|1,0,0]=3 11606 B13R0.54 CCCCOCCCOCCC(=O)N 7a_200011215613_100000744528 [0,2,0,0,0,0|1,0,0]=3 11607 B13R0.54 CCCCOCCCOCCC(C)O 34a_200011215613_100012276601 [0,2,0,0,0,0|1,0,1]=4 11608 B13R0.54 CCCCOCCCOCCC(C)O 7a_200011215613_100012276601 [0,2,0,0,0,0|1,0,1]=4 11609 B13R0.54 CCCCOCCCOCOC(=O)C 34a_200011215613_100009813279 [0,2,0,0,0,0|2,0,0]=4 11610 B13R0.54 CCCCOCCNCCCC(=O)N 34a_100000739312_100000743108 [0,2,0,0,0,0|1,0,0]=3 11611 B13R0.54 CCCCOCCNCCCS(=O)C 2230a_200000753449_100000743108 [0,2,0,0,0,0|2,0,0]=4 11612 B13R0.54 CCCCOCCNCCNC(=O)C 2230a_100000209853_100000743108 [0,2,0,0,0,0|2,0,0]=4 11613 B13R0.54 CCCCOCCNCCNC(=O)N 34a_100020590234_100000743108 [0,2,0,0,0,0|2,0,0]=4 11614 B13R0.54 CCCCOCCOCCCC(=O)C 34a_100000210238_100000685027 [0,2,0,0,0,0|1,0,0]=3 11615 B13R0.54 CCCCOCCOCCCC(=O)C 34a_100000759063_100000743108 [0,2,0,0,0,0|1,0,0]=3 11616 B13R0.54 CCCCOCCOCCCC(=O)C 7a_100000210238_100011215641 [0,2,0,0,0,0|1,0,0]=3 11617 B13R0.54 CCCCOCCOCCCC(=O)C 7a_100000759063_100000743108 [0,2,0,0,0,0|1,0,0]=3 11618 B13R0.54 CCCCOCCOCCCC(=O)N 34a_100000210238_100102525003 [0,2,0,0,0,0|1,0,0]=3 11619 B13R0.54 CCCCOCCOCCCC(=O)N 7a_100000210238_100102525003 [0,2,0,0,0,0|1,0,0]=3 11620 B13R0.54 CCCCOCCOCCCC(C)O 34a_100000210238_200000718107 [0,2,0,0,0,0|1,0,1]=4 11621 B13R0.54 CCCCOCCOCCCC(C)O 7a_100000210238_200000718107 [0,2,0,0,0,0|1,0,1]=4 11622 B13R0.54 CCCCOCCOCCC[N+](=O)[O-] 34a_200000037920_100000743108 [0,2,0,0,0,0|1,0,1]=4 11623 B13R0.54 CCCCOCCOCCNC(=O)C 34a_100000158858_100000743108 [0,2,0,0,0,0|2,0,0]=4 11624 B13R0.54 CCCCOCCOCCNC(=O)C 7a_100000210238_100000189650 [0,2,0,0,0,0|2,0,0]=4 11625 B13R0.54 CCCCOCCOCCNC(=O)N 34a_100000181757_100000743108 [0,2,0,0,0,0|2,0,0]=4 11626 B13R0.54 CCCCOCCOCCNC(=O)N 7a_100000210238_200000034859 [0,2,0,0,0,0|2,0,0]=4 11627 B13R0.54 CCCCOCCOCCOC(=O)C 34a_100000210227_200000083610 [0,2,0,0,0,0|2,0,0]=4 11628 B13R0.54 CCCCOCCOCCOC(=O)C 34a_100000210238_100009814007 [0,2,0,0,0,0|2,0,0]=4 11629 B13R0.54 CCCCOCCOCCOC(=O)C 7a_100000210227_200000083610 [0,2,0,0,0,0|2,0,0]=4 11630 B13R0.54 CCCCOCCOCCOC(=O)C 7a_100000210238_100009814007 [0,2,0,0,0,0|2,0,0]=4 11631 B13R0.54 CCCCOCCOCCOC(=O)N 34a_100000210238_200011214921 [0,2,0,0,0,0|2,0,0]=4 11632 B13R0.54 CCCCOCCOCCOC(=O)N 7a_100000210238_200011214921 [0,2,0,0,0,0|2,0,0]=4 11633 B13R0.54 CCCCOCCOCCOC(=O)N 7a_100000766696_100000743108 [0,2,0,0,0,0|2,0,0]=4 11634 B13R0.54 CCCCOCCSCCCC(=O)C 62a_100000743108_100011215641 [0,2,0,0,0,0|1,0,0]=3 11635 B13R0.54 CCCCOCCSCCCC(=O)C 62a_100011215641_100000743108 [0,2,0,0,0,0|1,0,0]=3 11636 B13R0.54 CCCCOCCSCCCC(=O)N 62a_100000743108_100102525003 [0,2,0,0,0,0|1,0,0]=3 11637 B13R0.54 CCCCOCCSCCCC(=O)N 62a_100102525003_100000743108 [0,2,0,0,0,0|1,0,0]=3 11638 B13R0.54 CCCCOCCSCCCC(C)O 62a_100000743108_200000718107 [0,2,0,0,0,0|1,0,1]=4 11639 B13R0.54 CCCCOCCSCCCC(C)O 62a_200000718107_100000743108 [0,2,0,0,0,0|1,0,1]=4 11640 B13R0.54 CCCCOCCSCCNC(=O)C 62a_100000189650_100000743108 [0,2,0,0,0,0|2,0,0]=4 11641 B13R0.54 CCCCOCCSCCNC(=O)C 62a_100000743108_100000189650 [0,2,0,0,0,0|2,0,0]=4 11642 B13R0.54 CCCCOCCSCCNC(=O)N 62a_100000743108_200000034859 [0,2,0,0,0,0|2,0,0]=4 11643 B13R0.54 CCCCOCCSCCNC(=O)N 62a_200000034859_100000743108 [0,2,0,0,0,0|2,0,0]=4 11644 B13R0.54 CCCCOCCSCCOC(=O)C 62a_100000743108_100009814007 [0,2,0,0,0,0|2,0,0]=4 11645 B13R0.54 CCCCOCCSCCOC(=O)C 62a_100009814007_100000743108 [0,2,0,0,0,0|2,0,0]=4 11646 B13R0.54 CCCCOCCSCCOC(=O)N 62a_100000743108_200011214921 [0,2,0,0,0,0|2,0,0]=4 11647 B13R0.54 CCCCOCCSCCOC(=O)N 62a_200011214921_100000743108 [0,2,0,0,0,0|2,0,0]=4 11648 B13R0.54 CCCCOCNCCCCC(=O)N 34a_100000696515_100011995733 [0,2,0,0,0,0|1,0,0]=3 11649 B13R0.54 CCCCOCNCCCNC(=O)C 34a_100000736810_100011995733 [0,2,0,0,0,0|2,0,0]=4 11650 B13R0.54 CCCCOCNCCOCC(=O)O 269956a_100000700818_100011995733 [0,2,0,0,0,0|1,0,0]=3 11651 B13R0.54 CCCCOCOCCCCC(=O)N 34a_100012022536_100011995733 [0,2,0,0,0,0|1,0,0]=3 11652 B13R0.54 CCCCOCOCCCC[N+](=O)[O-] 34a_200015379883_100011995733 [0,2,0,0,0,0|1,0,1]=4 11653 B13R0.54 CCCCOCOCCCNC(=O)C 34a_100000752032_100011995733 [0,2,0,0,0,0|2,0,0]=4 11654 B13R0.54 CCCCOCSCCCCB(O)O 62a_100011995733_200009817182 [0,2,0,0,0,0|1,0,1]=4 11655 B13R0.54 CCCCOCSCCCCB(O)O 62a_200009817182_100011995733 [0,2,0,0,0,0|1,0,1]=4 11656 B13R0.54 CCCCOCSCCCCC(=O)C 62a_100000735457_100011995733 [0,2,0,0,0,0|1,0,0]=3 11657 B13R0.54 CCCCOCSCCCCC(=O)C 62a_100011995733_100000735457 [0,2,0,0,0,0|1,0,0]=3 11658 B13R0.54 CCCCOCSCCCOC(=O)C 62a_100000042594_100011995733 [0,2,0,0,0,0|2,0,0]=4 11659 B13R0.54 CCCCOCSCCCOC(=O)C 62a_100011995733_100000042594 [0,2,0,0,0,0|2,0,0]=4 11660 B13R0.54 CCCCOCSCCCSC(=O)C 62a_100000038929_100011995733 [0,2,0,0,0,0|2,0,0]=4 11661 B13R0.54 CCCCOCSCCCSC(=O)C 62a_100011995733_100000038929 [0,2,0,0,0,0|2,0,0]=4 11662 B13R0.54 CCCCOCSCCOCC(=O)N 62a_100000076697_100011995733 [0,2,0,0,0,0|2,0,0]=4 11663 B13R0.54 CCCCOCSCCOCC(=O)N 62a_100011995733_100000076697 [0,2,0,0,0,0|2,0,0]=4 11664 B13R0.54 CCCCSCCCCCCB(O)O 62a_100000210211_100009817187 [0,2,0,0,0,0|1,0,1]=4 11665 B13R0.54 CCCCSCCCCCCB(O)O 62a_100009817187_100000210210 [0,2,0,0,0,0|1,0,1]=4 11666 B13R0.54 CCCCSCCCCCOC(=O)C 62a_100000033007_100000210210 [0,2,0,0,0,0|1,0,0]=3 11667 B13R0.54 CCCCSCCCCCOC(=O)C 62a_100000210211_100000033007 [0,2,0,0,0,0|1,0,0]=3 11668 B13R0.54 CCCCSCCNCCCC(C)O 2230a_100025743550_200000718107 [0,2,0,0,0,0|1,0,1]=4 11669 B13R0.54 CCCCSCCNCCNC(=O)C 2230a_100025743550_100000189650 [0,2,0,0,0,0|2,0,0]=4 11670 B13R0.54 CCCCSCCNCCNC(=O)N 2230a_100025743550_200000034859 [0,2,0,0,0,0|2,0,0]=4 11671 B13R0.54 CCCCSCCOCCCC(=O)C 34a_200000230436_100000685027 [0,2,0,0,0,0|1,0,0]=3 11672 B13R0.54 CCCCSCCOCCCC(=O)C 7a_200000230436_100011215641 [0,2,0,0,0,0|1,0,0]=3 11673 B13R0.54 CCCCSCCOCCCC(=O)N 34a_200000230436_100102525003 [0,2,0,0,0,0|1,0,0]=3 11674 B13R0.54 CCCCSCCOCCCC(=O)N 7a_200000230436_100102525003 [0,2,0,0,0,0|1,0,0]=3 11675 B13R0.54 CCCCSCCOCCCC(C)O 34a_200000230436_200000718107 [0,2,0,0,0,0|1,0,1]=4 11676 B13R0.54 CCCCSCCOCCCC(C)O 7a_200000230436_200000718107 [0,2,0,0,0,0|1,0,1]=4 11677 B13R0.54 CCCCSCCOCCNC(=O)C 7a_200000230436_100000189650 [0,2,0,0,0,0|2,0,0]=4 11678 B13R0.54 CCCCSCCOCCNC(=O)N 7a_200000230436_200000034859 [0,2,0,0,0,0|2,0,0]=4 11679 B13R0.54 CCCCSCCOCCOC(=O)C 34a_200000230436_100009814007 [0,2,0,0,0,0|2,0,0]=4 11680 B13R0.54 CCCCSCCOCCOC(=O)C 62a_100000210211_200000083610 [0,2,0,0,0,0|2,0,0]=4 11681 B13R0.54 CCCCSCCOCCOC(=O)C 62a_200000083610_100000210210 [0,2,0,0,0,0|2,0,0]=4 11682 B13R0.54 CCCCSCCOCCOC(=O)C 7a_200000230436_100009814007 [0,2,0,0,0,0|2,0,0]=4 11683 B13R0.54 CCCCSCCOCCOC(=O)N 34a_200000230436_200011214921 [0,2,0,0,0,0|2,0,0]=4 11684 B13R0.54 CCCCSCCOCCOC(=O)N 7a_200000230436_200011214921 [0,2,0,0,0,0|2,0,0]=4 11685 B13R0.54 CCCNCCCCCCNC(=O)C 2230a_200011996284_100000210303 [0,2,0,0,0,0|1,0,0]=3 11686 B13R0.54 CCCNCCCCCCNC(=O)C 34a_200011996284_100000210303 [0,2,0,0,0,0|1,0,0]=3 11687 B13R0.54 CCCNCCOCCOCC(=O)O 269956a_100009854275_100000210207 [0,2,0,0,0,0|1,0,0]=3 11688 B13R0.54 CCCOCCCNCCCC(=O)C 34a_100011217757_100000685027 [0,2,0,0,0,0|1,0,0]=3 11689 B13R0.54 CCCOCCCNCCCC(=O)N 34a_100011217757_100102525003 [0,2,0,0,0,0|1,0,0]=3 11690 B13R0.54 CCCOCCCNCCCC(C)O 2230a_100011217757_200000718107 [0,2,0,0,0,0|1,0,1]=4 11691 B13R0.54 CCCOCCCNCCCC(C)O 34a_100011217757_200000718107 [0,2,0,0,0,0|1,0,1]=4 11692 B13R0.54 CCCOCCCNCCNC(=O)C 2230a_100011217757_100000189650 [0,2,0,0,0,0|2,0,0]=4 11693 B13R0.54 CCCOCCCNCCNC(=O)N 2230a_100011217757_200000034859 [0,2,0,0,0,0|2,0,0]=4 11694 B13R0.54 CCCOCCCNCCOC(=O)C 34a_100011217757_100009814007 [0,2,0,0,0,0|2,0,0]=4 11695 B13R0.54 CCCOCCCNCCOC(=O)N 34a_100011217757_200011214921 [0,2,0,0,0,0|2,0,0]=4 11696 B13R0.54 CCCOCCNCCCCB(O)O 2230a_100161115042_200009817182 [0,2,0,0,0,0|1,0,1]=4 11697 B13R0.54 CCCOCCNCCCCB(O)O 34a_100161115042_200009817182 [0,2,0,0,0,0|1,0,1]=4 11698 B13R0.54 CCCOCCNCCCCC(=O)C 34a_100161115042_100009817362 [0,2,0,0,0,0|1,0,0]=3 11699 B13R0.54 CCCOCCNCCCCC(=O)N 34a_100000696515_100011215938 [0,2,0,0,0,0|1,0,0]=3 11700 B13R0.54 CCCOCCNCCCNC(=O)C 34a_100000736810_100011215938 [0,2,0,0,0,0|2,0,0]=4 11701 B13R0.54 CCCOCCNCCCOC(=O)C 34a_100161115042_100000042594 [0,2,0,0,0,0|2,0,0]=4 11702 B13R0.54 CCCOCCNCCCSC(=O)C 2230a_100161115042_100000038929 [0,2,0,0,0,0|2,0,0]=4 11703 B13R0.54 CCCOCCNCCCSC(=O)C 34a_100161115042_100000038929 [0,2,0,0,0,0|2,0,0]=4 11704 B13R0.54 CCCOCCNCCOCC(=O)N 2230a_100161115042_100000076697 [0,2,0,0,0,0|2,0,0]=4 11705 B13R0.54 CCCOCCNCCOCC(=O)N 34a_100161115042_100000076697 [0,2,0,0,0,0|2,0,0]=4 11706 B13R0.54 CCCOCCNCCOCC(=O)O 269956a_100000700818_100011215938 [0,2,0,0,0,0|1,0,0]=3 11707 B13R0.54 CCCOCCOCCCCB(O)O 34a_100000752267_200009817182 [0,2,0,0,0,0|1,0,1]=4 11708 B13R0.54 CCCOCCOCCCCB(O)O 7a_100000752267_200009817182 [0,2,0,0,0,0|1,0,1]=4 11709 B13R0.54 CCCOCCOCCCCC(=O)C 34a_100000752267_100009817362 [0,2,0,0,0,0|1,0,0]=3 11710 B13R0.54 CCCOCCOCCCCC(=O)C 7a_100000752267_100000735457 [0,2,0,0,0,0|1,0,0]=3 11711 B13R0.54 CCCOCCOCCCCC(=O)N 34a_100012022536_100011215938 [0,2,0,0,0,0|1,0,0]=3 11712 B13R0.54 CCCOCCOCCCCC(=O)N 7a_100012022536_100011215938 [0,2,0,0,0,0|1,0,0]=3 11713 B13R0.54 CCCOCCOCCCC[N+](=O)[O-] 34a_200015379883_100011215938 [0,2,0,0,0,0|1,0,1]=4 11714 B13R0.54 CCCOCCOCCCC[N+](=O)[O-] 7a_200015379883_100011215938 [0,2,0,0,0,0|1,0,1]=4 11715 B13R0.54 CCCOCCOCCCNC(=O)C 34a_100000752032_100011215938 [0,2,0,0,0,0|2,0,0]=4 11716 B13R0.54 CCCOCCOCCCOC(=O)C 34a_100000752267_100000042594 [0,2,0,0,0,0|2,0,0]=4 11717 B13R0.54 CCCOCCOCCCOC(=O)C 7a_100000752267_100000042594 [0,2,0,0,0,0|2,0,0]=4 11718 B13R0.54 CCCOCCOCCCSC(=O)C 34a_100000752267_100000038929 [0,2,0,0,0,0|2,0,0]=4 11719 B13R0.54 CCCOCCOCCCSC(=O)C 7a_100000752267_100000038929 [0,2,0,0,0,0|2,0,0]=4 11720 B13R0.54 CCCOCCOCCNCC(=O)N 2230a_200011904461_100000747473 [0,2,0,0,0,0|2,0,0]=4 11721 B13R0.54 CCCOCCOCCNCC(=O)N 34a_200011904461_100000187820 [0,2,0,0,0,0|2,0,0]=4 11722 B13R0.54 CCCOCCOCCNCC(=O)[O-] 34a_200011904461_100020667443 [0,2,0,0,0,0|1,0,1]=4 11723 B13R0.54 CCCOCCOCCOCC(=O)N 34a_100000752267_100000076697 [0,2,0,0,0,0|2,0,0]=4 11724 B13R0.54 CCCOCCOCCOCC(=O)N 7a_100000752267_100000076697 [0,2,0,0,0,0|2,0,0]=4 11725 B13R0.54 CCCOCCSCCCCB(O)O 62a_100011215938_200009817182 [0,2,0,0,0,0|1,0,1]=4 11726 B13R0.54 CCCOCCSCCCCB(O)O 62a_200009817182_100011215938 [0,2,0,0,0,0|1,0,1]=4 11727 B13R0.54 CCCOCCSCCCCC(=O)C 62a_100000735457_100011215938 [0,2,0,0,0,0|1,0,0]=3 11728 B13R0.54 CCCOCCSCCCCC(=O)C 62a_100011215938_100000735457 [0,2,0,0,0,0|1,0,0]=3 11729 B13R0.54 CCCOCCSCCCOC(=O)C 62a_100000042594_100011215938 [0,2,0,0,0,0|2,0,0]=4 11730 B13R0.54 CCCOCCSCCCOC(=O)C 62a_100011215938_100000042594 [0,2,0,0,0,0|2,0,0]=4 11731 B13R0.54 CCCOCCSCCCSC(=O)C 62a_100000038929_100011215938 [0,2,0,0,0,0|2,0,0]=4 11732 B13R0.54 CCCOCCSCCCSC(=O)C 62a_100011215938_100000038929 [0,2,0,0,0,0|2,0,0]=4 11733 B13R0.54 CCCOCCSCCOCC(=O)N 62a_100000076697_100011215938 [0,2,0,0,0,0|2,0,0]=4 11734 B13R0.54 CCCOCCSCCOCC(=O)N 62a_100011215938_100000076697 [0,2,0,0,0,0|2,0,0]=4 11735 B13R0.54 CCCSCCNCCCCB(O)O 2230a_100020603323_200009817182 [0,2,0,0,0,0|1,0,1]=4 11736 B13R0.54 CCCSCCNCCCSC(=O)C 2230a_100020603323_100000038929 [0,2,0,0,0,0|2,0,0]=4 11737 B13R0.54 CCCSCCNCCOCC(=O)N 2230a_100020603323_100000076697 [0,2,0,0,0,0|2,0,0]=4 11738 B13R0.54 CCCSCCOCCCCB(O)O 34a_200000230433_200009817182 [0,2,0,0,0,0|1,0,1]=4 11739 B13R0.54 CCCSCCOCCCCB(O)O 7a_200000230433_200009817182 [0,2,0,0,0,0|1,0,1]=4 11740 B13R0.54 CCCSCCOCCCCC(=O)C 34a_200000230433_100009817362 [0,2,0,0,0,0|1,0,0]=3 11741 B13R0.54 CCCSCCOCCCCC(=O)C 7a_200000230433_100000735457 [0,2,0,0,0,0|1,0,0]=3 11742 B13R0.54 CCCSCCOCCCOC(=O)C 34a_200000230433_100000042594 [0,2,0,0,0,0|2,0,0]=4 11743 B13R0.54 CCCSCCOCCCOC(=O)C 7a_200000230433_100000042594 [0,2,0,0,0,0|2,0,0]=4 11744 B13R0.54 CCCSCCOCCCSC(=O)C 34a_200000230433_100000038929 [0,2,0,0,0,0|2,0,0]=4 11745 B13R0.54 CCCSCCOCCCSC(=O)C 7a_200000230433_100000038929 [0,2,0,0,0,0|2,0,0]=4 11746 B13R0.54 CCCSCCOCCOCC(=O)N 34a_200000230433_100000076697 [0,2,0,0,0,0|2,0,0]=4 11747 B13R0.54 CCCSCCOCCOCC(=O)N 7a_200000230433_100000076697 [0,2,0,0,0,0|2,0,0]=4 11748 B13R0.54 CCOCCCNCCCCB(O)O 2230a_100000210961_200009817182 [0,2,0,0,0,0|1,0,1]=4 11749 B13R0.54 CCOCCCNCCCCB(O)O 34a_100000210961_200009817182 [0,2,0,0,0,0|1,0,1]=4 11750 B13R0.54 CCOCCCNCCCCC(=O)C 34a_100000210961_100009817362 [0,2,0,0,0,0|1,0,0]=3 11751 B13R0.54 CCOCCCNCCCCC(=O)N 34a_100000696515_100012232248 [0,2,0,0,0,0|1,0,0]=3 11752 B13R0.54 CCOCCCNCCCNC(=O)C 34a_100000736810_100012232248 [0,2,0,0,0,0|2,0,0]=4 11753 B13R0.54 CCOCCCNCCCOC(=O)C 34a_100000210961_100000042594 [0,2,0,0,0,0|2,0,0]=4 11754 B13R0.54 CCOCCCNCCCSC(=O)C 2230a_100000210961_100000038929 [0,2,0,0,0,0|2,0,0]=4 11755 B13R0.54 CCOCCCNCCCSC(=O)C 34a_100000210961_100000038929 [0,2,0,0,0,0|2,0,0]=4 11756 B13R0.54 CCOCCCNCCOCC(=O)N 2230a_100000210961_100000076697 [0,2,0,0,0,0|2,0,0]=4 11757 B13R0.54 CCOCCCNCCOCC(=O)N 34a_100000210961_100000076697 [0,2,0,0,0,0|2,0,0]=4 11758 B13R0.54 CCOCCCNCCOCC(=O)O 269956a_100000700818_100012232248 [0,2,0,0,0,0|1,0,0]=3 11759 B13R0.54 CCOCCCOCCCCB(O)O 34a_100000757476_200009817182 [0,2,0,0,0,0|1,0,1]=4 11760 B13R0.54 CCOCCCOCCCCB(O)O 7a_100000757476_200009817182 [0,2,0,0,0,0|1,0,1]=4 11761 B13R0.54 CCOCCCOCCCCC(=O)C 34a_100000757476_100009817362 [0,2,0,0,0,0|1,0,0]=3 11762 B13R0.54 CCOCCCOCCCCC(=O)C 7a_100000757476_100000735457 [0,2,0,0,0,0|1,0,0]=3 11763 B13R0.54 CCOCCCOCCCCC(=O)N 34a_100012022536_100012232248 [0,2,0,0,0,0|1,0,0]=3 11764 B13R0.54 CCOCCCOCCCCC(=O)N 7a_100012022536_100012232248 [0,2,0,0,0,0|1,0,0]=3 11765 B13R0.54 CCOCCCOCCCC[N+](=O)[O-] 34a_200015379883_100012232248 [0,2,0,0,0,0|1,0,1]=4 11766 B13R0.54 CCOCCCOCCCC[N+](=O)[O-] 7a_200015379883_100012232248 [0,2,0,0,0,0|1,0,1]=4 11767 B13R0.54 CCOCCCOCCCNC(=O)C 34a_100000752032_100012232248 [0,2,0,0,0,0|2,0,0]=4 11768 B13R0.54 CCOCCCOCCCOC(=O)C 34a_100000757476_100000042594 [0,2,0,0,0,0|2,0,0]=4 11769 B13R0.54 CCOCCCOCCCOC(=O)C 7a_100000757476_100000042594 [0,2,0,0,0,0|2,0,0]=4 11770 B13R0.54 CCOCCCOCCCSC(=O)C 34a_100000757476_100000038929 [0,2,0,0,0,0|2,0,0]=4 11771 B13R0.54 CCOCCCOCCCSC(=O)C 7a_100000757476_100000038929 [0,2,0,0,0,0|2,0,0]=4 11772 B13R0.54 CCOCCCOCCOCC(=O)N 34a_100000757476_100000076697 [0,2,0,0,0,0|2,0,0]=4 11773 B13R0.54 CCOCCCOCCOCC(=O)N 7a_100000757476_100000076697 [0,2,0,0,0,0|2,0,0]=4 11774 B13R0.54 CCOCCCSCCCCB(O)O 62a_100012232248_200009817182 [0,2,0,0,0,0|1,0,1]=4 11775 B13R0.54 CCOCCCSCCCCB(O)O 62a_200009817182_100012232248 [0,2,0,0,0,0|1,0,1]=4 11776 B13R0.54 CCOCCCSCCCCC(=O)C 62a_100000735457_100012232248 [0,2,0,0,0,0|1,0,0]=3 11777 B13R0.54 CCOCCCSCCCCC(=O)C 62a_100012232248_100000735457 [0,2,0,0,0,0|1,0,0]=3 11778 B13R0.54 CCOCCCSCCCOC(=O)C 62a_100000042594_100012232248 [0,2,0,0,0,0|2,0,0]=4 11779 B13R0.54 CCOCCCSCCCOC(=O)C 62a_100012232248_100000042594 [0,2,0,0,0,0|2,0,0]=4 11780 B13R0.54 CCOCCCSCCCSC(=O)C 62a_100000038929_100012232248 [0,2,0,0,0,0|2,0,0]=4 11781 B13R0.54 CCOCCCSCCCSC(=O)C 62a_100012232248_100000038929 [0,2,0,0,0,0|2,0,0]=4 11782 B13R0.54 CCOCCCSCCOCC(=O)N 62a_100000076697_100012232248 [0,2,0,0,0,0|2,0,0]=4 11783 B13R0.54 CCOCCCSCCOCC(=O)N 62a_100012232248_100000076697 [0,2,0,0,0,0|2,0,0]=4 11784 B13R0.54 CCOCCNCCCCCB(O)O 2230a_102516460346_200009817188 [0,2,0,0,0,0|1,0,1]=4 11785 B13R0.54 CCOCCNCCCCCB(O)O 34a_102516460346_200009817188 [0,2,0,0,0,0|1,0,1]=4 11786 B13R0.54 CCOCCNCCCCCC(=O)N 2230a_102516460346_100009817443 [0,2,0,0,0,0|1,0,0]=3 11787 B13R0.54 CCOCCNCCCCCC(=O)N 34a_102516460346_100009817443 [0,2,0,0,0,0|1,0,0]=3 11788 B13R0.54 CCOCCNCCCCNC(=O)C 2230a_200011368371_100011215890 [0,2,0,0,0,0|2,0,0]=4 11789 B13R0.54 CCOCCNCCCCNC(=O)C 34a_200011368371_100000210147 [0,2,0,0,0,0|2,0,0]=4 11790 B13R0.54 CCOCCNCCCCOC(=O)C 34a_102516460346_100000033659 [0,2,0,0,0,0|2,0,0]=4 11791 B13R0.54 CCOCCNCCCCSC(=O)C 2230a_102516460346_200010402107 [0,2,0,0,0,0|2,0,0]=4 11792 B13R0.54 CCOCCNCCCCSC(=O)C 34a_102516460346_200010402107 [0,2,0,0,0,0|2,0,0]=4 11793 B13R0.54 CCOCCOCCCCCB(O)O 34a_100000210136_200009817188 [0,2,0,0,0,0|1,0,1]=4 11794 B13R0.54 CCOCCOCCCCCB(O)O 7a_100000210136_200009817188 [0,2,0,0,0,0|1,0,1]=4 11795 B13R0.54 CCOCCOCCCCCC(=O)N 34a_100000123541_100000210147 [0,2,0,0,0,0|1,0,0]=3 11796 B13R0.54 CCOCCOCCCCCC(=O)N 34a_100000210136_100009817443 [0,2,0,0,0,0|1,0,0]=3 11797 B13R0.54 CCOCCOCCCCCC(=O)N 7a_100000123541_100011215890 [0,2,0,0,0,0|1,0,0]=3 11798 B13R0.54 CCOCCOCCCCCC(=O)N 7a_100000210136_100009817443 [0,2,0,0,0,0|1,0,0]=3 11799 B13R0.54 CCOCCOCCCCCC(=O)[O-] 7a_100102619762_100011215890 [0,2,0,0,0,0|0,0,1]=3 11800 B13R0.54 CCOCCOCCCCOC(=O)C 34a_100000073216_100000210147 [0,2,0,0,0,0|2,0,0]=4 11801 B13R0.54 CCOCCOCCCCOC(=O)C 34a_100000210136_100000033659 [0,2,0,0,0,0|2,0,0]=4 11802 B13R0.54 CCOCCOCCCCOC(=O)C 7a_100000073216_100011215890 [0,2,0,0,0,0|2,0,0]=4 11803 B13R0.54 CCOCCOCCCCOC(=O)C 7a_100000210136_100000033659 [0,2,0,0,0,0|2,0,0]=4 11804 B13R0.54 CCOCCOCCCCSC(=O)C 34a_100000210136_200010402107 [0,2,0,0,0,0|2,0,0]=4 11805 B13R0.54 CCOCCOCCCCSC(=O)C 7a_100000210136_200010402107 [0,2,0,0,0,0|2,0,0]=4 11806 B13R0.54 CCOCCOCCNCCC(=O)N 2230a_100102712874_100000744528 [0,2,0,0,0,0|2,0,0]=4 11807 B13R0.54 CCOCCOCCNCCC(=O)N 34a_100102712874_100000731001 [0,2,0,0,0,0|2,0,0]=4 11808 B13R0.54 CCOCCOCCNOCC(=O)O 269956a_100000106656_100011211534 [0,2,0,0,0,0|2,0,0]=4 11809 B13R0.54 CCOCCOCCOCCC(=O)C 34a_100000759926_100011211534 [0,2,0,0,0,0|2,0,0]=4 11810 B13R0.54 CCOCCOCCOCCC(=O)C 7a_100000210240_100000053229 [0,2,0,0,0,0|2,0,0]=4 11811 B13R0.54 CCOCCOCCOCCC(=O)C 7a_100000759926_100011211534 [0,2,0,0,0,0|2,0,0]=4 11812 B13R0.54 CCOCCOCCOCCC(=O)N 34a_100000210240_100000731001 [0,2,0,0,0,0|2,0,0]=4 11813 B13R0.54 CCOCCOCCOCCC(=O)N 34a_100000757172_100011211534 [0,2,0,0,0,0|2,0,0]=4 11814 B13R0.54 CCOCCOCCOCCC(=O)N 7a_100000210240_100000744528 [0,2,0,0,0,0|2,0,0]=4 11815 B13R0.54 CCOCCOCCOCCC(=O)N 7a_100000757172_100011211534 [0,2,0,0,0,0|2,0,0]=4 11816 B13R0.54 CCOCCOCCSCCC(=O)C 62a_100000053229_100011211534 [0,2,0,0,0,0|2,0,0]=4 11817 B13R0.54 CCOCCOCCSCCC(=O)C 62a_100011211534_100000053229 [0,2,0,0,0,0|2,0,0]=4 11818 B13R0.54 CCOCCOCCSCCC(=O)N 62a_100000744528_100011211534 [0,2,0,0,0,0|2,0,0]=4 11819 B13R0.54 CCOCCOCCSCCC(=O)N 62a_100011211534_100000744528 [0,2,0,0,0,0|2,0,0]=4 11820 B13R0.54 CCOCCSCCCCCB(O)O 62a_100000210147_200009817188 [0,2,0,0,0,0|1,0,1]=4 11821 B13R0.54 CCOCCSCCCCCB(O)O 62a_200009817188_100011215890 [0,2,0,0,0,0|1,0,1]=4 11822 B13R0.54 CCOCCSCCCCCC(=O)N 62a_100000210147_100009817443 [0,2,0,0,0,0|1,0,0]=3 11823 B13R0.54 CCOCCSCCCCCC(=O)N 62a_100009817443_100011215890 [0,2,0,0,0,0|1,0,0]=3 11824 B13R0.54 CCOCCSCCCCOC(=O)C 62a_100000033659_100011215890 [0,2,0,0,0,0|2,0,0]=4 11825 B13R0.54 CCOCCSCCCCOC(=O)C 62a_100000210147_100000033659 [0,2,0,0,0,0|2,0,0]=4 11826 B13R0.54 CCOCCSCCCCSC(=O)C 62a_100000210147_200010402107 [0,2,0,0,0,0|2,0,0]=4 11827 B13R0.54 CCOCCSCCCCSC(=O)C 62a_200010402107_100011215890 [0,2,0,0,0,0|2,0,0]=4 11828 B13R0.54 CCOCSCCCCCCB(O)O 62a_100000739092_100009817187 [0,2,0,0,0,0|1,0,1]=4 11829 B13R0.54 CCOCSCCCCCCB(O)O 62a_100009817187_100000739092 [0,2,0,0,0,0|1,0,1]=4 11830 B13R0.54 CCOCSCCCCCOC(=O)C 62a_100000033007_100000739092 [0,2,0,0,0,0|2,0,0]=4 11831 B13R0.54 CCOCSCCCCCOC(=O)C 62a_100000739092_100000033007 [0,2,0,0,0,0|2,0,0]=4 11832 B13R0.54 CCSCCCOCCCCB(O)O 34a_100011216438_200009817182 [0,2,0,0,0,0|1,0,1]=4 11833 B13R0.54 CCSCCCOCCCCB(O)O 7a_100011216438_200009817182 [0,2,0,0,0,0|1,0,1]=4 11834 B13R0.54 CCSCCCOCCCCC(=O)C 34a_100011216438_100009817362 [0,2,0,0,0,0|1,0,0]=3 11835 B13R0.54 CCSCCCOCCCCC(=O)C 7a_100011216438_100000735457 [0,2,0,0,0,0|1,0,0]=3 11836 B13R0.54 CCSCCCOCCCOC(=O)C 34a_100011216438_100000042594 [0,2,0,0,0,0|2,0,0]=4 11837 B13R0.54 CCSCCCOCCCOC(=O)C 7a_100011216438_100000042594 [0,2,0,0,0,0|2,0,0]=4 11838 B13R0.54 CCSCCCOCCCSC(=O)C 34a_100011216438_100000038929 [0,2,0,0,0,0|2,0,0]=4 11839 B13R0.54 CCSCCCOCCCSC(=O)C 7a_100011216438_100000038929 [0,2,0,0,0,0|2,0,0]=4 11840 B13R0.54 CCSCCCOCCOCC(=O)N 34a_100011216438_100000076697 [0,2,0,0,0,0|2,0,0]=4 11841 B13R0.54 CCSCCCOCCOCC(=O)N 7a_100011216438_100000076697 [0,2,0,0,0,0|2,0,0]=4 11842 B13R0.54 CCSCCNCCCCCB(O)O 2230a_100000106463_200009817188 [0,2,0,0,0,0|1,0,1]=4 11843 B13R0.54 CCSCCNCCCCCC(=O)N 2230a_100000106463_100009817443 [0,2,0,0,0,0|1,0,0]=3 11844 B13R0.54 CCSCCNCCCCNC(=O)C 2230a_200011368371_100000757381 [0,2,0,0,0,0|2,0,0]=4 11845 B13R0.54 CCSCCNCCCCNC(=O)C 34a_200011368371_100000757381 [0,2,0,0,0,0|2,0,0]=4 11846 B13R0.54 CCSCCNCCCCSC(=O)C 2230a_100000106463_200010402107 [0,2,0,0,0,0|2,0,0]=4 11847 B13R0.54 CCSCCOCCCCCB(O)O 34a_100000212035_200009817188 [0,2,0,0,0,0|1,0,1]=4 11848 B13R0.54 CCSCCOCCCCCB(O)O 7a_100000212035_200009817188 [0,2,0,0,0,0|1,0,1]=4 11849 B13R0.54 CCSCCOCCCCCC(=O)N 34a_100000123541_100000757381 [0,2,0,0,0,0|1,0,0]=3 11850 B13R0.54 CCSCCOCCCCCC(=O)N 34a_100000212035_100009817443 [0,2,0,0,0,0|1,0,0]=3 11851 B13R0.54 CCSCCOCCCCCC(=O)N 7a_100000123541_100000757381 [0,2,0,0,0,0|1,0,0]=3 11852 B13R0.54 CCSCCOCCCCCC(=O)N 7a_100000212035_100009817443 [0,2,0,0,0,0|1,0,0]=3 11853 B13R0.54 CCSCCOCCCCCC(=O)[O-] 7a_100102619762_100000757381 [0,2,0,0,0,0|0,0,1]=3 11854 B13R0.54 CCSCCOCCCCOC(=O)C 34a_100000073216_100000757381 [0,2,0,0,0,0|2,0,0]=4 11855 B13R0.54 CCSCCOCCCCOC(=O)C 34a_100000212035_100000033659 [0,2,0,0,0,0|2,0,0]=4 11856 B13R0.54 CCSCCOCCCCOC(=O)C 7a_100000073216_100000757381 [0,2,0,0,0,0|2,0,0]=4 11857 B13R0.54 CCSCCOCCCCOC(=O)C 7a_100000212035_100000033659 [0,2,0,0,0,0|2,0,0]=4 11858 B13R0.54 CCSCCOCCCCSC(=O)C 34a_100000212035_200010402107 [0,2,0,0,0,0|2,0,0]=4 11859 B13R0.54 CCSCCOCCCCSC(=O)C 7a_100000212035_200010402107 [0,2,0,0,0,0|2,0,0]=4 11860 B13R0.54 CCSCCSCCCCCB(O)O 62a_100000757381_200009817188 [0,2,0,0,0,0|1,0,1]=4 11861 B13R0.54 CCSCCSCCCCCB(O)O 62a_200009817188_100000757381 [0,2,0,0,0,0|1,0,1]=4 11862 B13R0.54 CCSCCSCCCCCC(=O)N 62a_100000757381_100009817443 [0,2,0,0,0,0|1,0,0]=3 11863 B13R0.54 CCSCCSCCCCCC(=O)N 62a_100009817443_100000757381 [0,2,0,0,0,0|1,0,0]=3 11864 B13R0.54 CCSCCSCCCCOC(=O)C 62a_100000033659_100000757381 [0,2,0,0,0,0|2,0,0]=4 11865 B13R0.54 CCSCCSCCCCOC(=O)C 62a_100000757381_100000033659 [0,2,0,0,0,0|2,0,0]=4 11866 B13R0.54 CCSCCSCCCCSC(=O)C 62a_100000757381_200010402107 [0,2,0,0,0,0|2,0,0]=4 11867 B13R0.54 CCSCCSCCCCSC(=O)C 62a_200010402107_100000757381 [0,2,0,0,0,0|2,0,0]=4 11868 B13R0.54 CNCCCCCOCCCC(=O)C 34a_100000722520_100000685027 [0,2,0,0,0,0|1,0,0]=3 11869 B13R0.54 CNCCCCCOCCCC(=O)N 34a_100000722520_100102525003 [0,2,0,0,0,0|1,0,0]=3 11870 B13R0.54 CNCCCCCOCCCC(C)O 34a_100000722520_200000718107 [0,2,0,0,0,0|1,0,1]=4 11871 B13R0.54 CNCCCCCOCCOC(=O)C 34a_100000722520_100009814007 [0,2,0,0,0,0|2,0,0]=4 11872 B13R0.54 CNCCCCCOCCOC(=O)N 34a_100000722520_200011214921 [0,2,0,0,0,0|2,0,0]=4 11873 B13R0.54 CNCCCOCCCCCB(O)O 34a_100000213112_200009817188 [0,2,0,0,0,0|1,0,1]=4 11874 B13R0.54 CNCCCOCCCCCC(=O)N 34a_100000213112_100009817443 [0,2,0,0,0,0|1,0,0]=3 11875 B13R0.54 CNCCCOCCCCOC(=O)C 34a_100000213112_100000033659 [0,2,0,0,0,0|2,0,0]=4 11876 B13R0.54 CNCCCOCCCCSC(=O)C 34a_100000213112_200010402107 [0,2,0,0,0,0|2,0,0]=4 11877 B13R0.54 CNCCOCCOCCCC(=O)C 34a_100000228057_100000685027 [0,2,0,0,0,0|2,0,0]=4 11878 B13R0.54 CNCCOCCOCCCC(=O)N 34a_100000228057_100102525003 [0,2,0,0,0,0|2,0,0]=4 11879 B13R0.54 COCCCCCCNCCC(C)O 2230a_200000755665_100011998445 [0,2,0,0,0,0|1,0,1]=4 11880 B13R0.54 COCCCCCCNOCC(=O)O 269956a_100000106656_100011998445 [0,2,0,0,0,0|1,0,0]=3 11881 B13R0.54 COCCCCCCOCCC(=O)C 34a_100000759926_100011998445 [0,2,0,0,0,0|1,0,0]=3 11882 B13R0.54 COCCCCCCOCCC(=O)C 7a_100000759926_100011998445 [0,2,0,0,0,0|1,0,0]=3 11883 B13R0.54 COCCCCCCOCCC(=O)C 7a_200012092642_100000053229 [0,2,0,0,0,0|1,0,0]=3 11884 B13R0.54 COCCCCCCOCCC(=O)N 34a_100000757172_100011998445 [0,2,0,0,0,0|1,0,0]=3 11885 B13R0.54 COCCCCCCOCCC(=O)N 34a_200012092642_100000731001 [0,2,0,0,0,0|1,0,0]=3 11886 B13R0.54 COCCCCCCOCCC(=O)N 7a_100000757172_100011998445 [0,2,0,0,0,0|1,0,0]=3 11887 B13R0.54 COCCCCCCOCCC(=O)N 7a_200012092642_100000744528 [0,2,0,0,0,0|1,0,0]=3 11888 B13R0.54 COCCCCCCOCCC(C)O 34a_200012092642_100012276601 [0,2,0,0,0,0|1,0,1]=4 11889 B13R0.54 COCCCCCCOCCC(C)O 7a_200012092642_100012276601 [0,2,0,0,0,0|1,0,1]=4 11890 B13R0.54 COCCCCCCOCOC(=O)C 34a_200012092642_100009813279 [0,2,0,0,0,0|2,0,0]=4 11891 B13R0.54 COCCCCCCSCCC(=O)C 62a_100000053229_100011998445 [0,2,0,0,0,0|1,0,0]=3 11892 B13R0.54 COCCCCCCSCCC(=O)C 62a_100011998445_100000053229 [0,2,0,0,0,0|1,0,0]=3 11893 B13R0.54 COCCCCCCSCCC(=O)N 62a_100000744528_100011998445 [0,2,0,0,0,0|1,0,0]=3 11894 B13R0.54 COCCCCCCSCCC(=O)N 62a_100011998445_100000744528 [0,2,0,0,0,0|1,0,0]=3 11895 B13R0.54 COCCCCCCSCCC(C)O 62a_100011998445_100012276601 [0,2,0,0,0,0|1,0,1]=4 11896 B13R0.54 COCCCCCCSCCC(C)O 62a_100012276601_100011998445 [0,2,0,0,0,0|1,0,1]=4 11897 B13R0.54 COCCCCCCSCOC(=O)C 62a_100000076356_100011998445 [0,2,0,0,0,0|2,0,0]=4 11898 B13R0.54 COCCCCCCSCOC(=O)C 62a_100011998445_100000076356 [0,2,0,0,0,0|2,0,0]=4 11899 B13R0.54 COCCCCCNCCCC(=O)C 34a_100000747528_100000685027 [0,2,0,0,0,0|1,0,0]=3 11900 B13R0.54 COCCCCCNCCCC(=O)N 34a_100000747528_100102525003 [0,2,0,0,0,0|1,0,0]=3 11901 B13R0.54 COCCCCCNCCCC(C)O 2230a_100000747528_200000718107 [0,2,0,0,0,0|1,0,1]=4 11902 B13R0.54 COCCCCCNCCCC(C)O 34a_100000747528_200000718107 [0,2,0,0,0,0|1,0,1]=4 11903 B13R0.54 COCCCCCNCCNC(=O)C 2230a_100000747528_100000189650 [0,2,0,0,0,0|2,0,0]=4 11904 B13R0.54 COCCCCCNCCNC(=O)N 2230a_100000747528_200000034859 [0,2,0,0,0,0|2,0,0]=4 11905 B13R0.54 COCCCCCNCCOC(=O)C 34a_100000747528_100009814007 [0,2,0,0,0,0|2,0,0]=4 11906 B13R0.54 COCCCCCNCCOC(=O)N 34a_100000747528_200011214921 [0,2,0,0,0,0|2,0,0]=4 11907 B13R0.54 COCCCCNCCCCC(=O)N 34a_100000696515_100000755781 [0,2,0,0,0,0|1,0,0]=3 11908 B13R0.54 COCCCCNCCCNC(=O)C 34a_100000736810_100000755781 [0,2,0,0,0,0|2,0,0]=4 11909 B13R0.54 COCCCCNCCOCC(=O)O 269956a_100000700818_100000730899 [0,2,0,0,0,0|1,0,0]=3 11910 B13R0.54 COCCCCOCCCCB(O)O 34a_100000740925_200009817182 [0,2,0,0,0,0|1,0,1]=4 11911 B13R0.54 COCCCCOCCCCC(=O)C 34a_100000740925_100009817362 [0,2,0,0,0,0|1,0,0]=3 11912 B13R0.54 COCCCCOCCCCC(=O)N 34a_100012022536_100000755781 [0,2,0,0,0,0|1,0,0]=3 11913 B13R0.54 COCCCCOCCCCC(=O)N 7a_100012022536_100000730899 [0,2,0,0,0,0|1,0,0]=3 11914 B13R0.54 COCCCCOCCCC[N+](=O)[O-] 34a_200015379883_100000755781 [0,2,0,0,0,0|1,0,1]=4 11915 B13R0.54 COCCCCOCCCC[N+](=O)[O-] 7a_200015379883_100000730899 [0,2,0,0,0,0|1,0,1]=4 11916 B13R0.54 COCCCCOCCCNC(=O)C 34a_100000752032_100000755781 [0,2,0,0,0,0|2,0,0]=4 11917 B13R0.54 COCCCCOCCCOC(=O)C 34a_100000740925_100000042594 [0,2,0,0,0,0|2,0,0]=4 11918 B13R0.54 COCCCCOCCCSC(=O)C 34a_100000740925_100000038929 [0,2,0,0,0,0|2,0,0]=4 11919 B13R0.54 COCCCCOCCOCC(=O)N 34a_100000740925_100000076697 [0,2,0,0,0,0|2,0,0]=4 11920 B13R0.54 COCCCCSCCCCB(O)O 62a_100000730899_200009817182 [0,2,0,0,0,0|1,0,1]=4 11921 B13R0.54 COCCCCSCCCCB(O)O 62a_200009817182_100000730899 [0,2,0,0,0,0|1,0,1]=4 11922 B13R0.54 COCCCCSCCCCC(=O)C 62a_100000730899_100000735457 [0,2,0,0,0,0|1,0,0]=3 11923 B13R0.54 COCCCCSCCCCC(=O)C 62a_100000735457_100000730899 [0,2,0,0,0,0|1,0,0]=3 11924 B13R0.54 COCCCCSCCCOC(=O)C 62a_100000042594_100000730899 [0,2,0,0,0,0|2,0,0]=4 11925 B13R0.54 COCCCCSCCCOC(=O)C 62a_100000730899_100000042594 [0,2,0,0,0,0|2,0,0]=4 11926 B13R0.54 COCCCCSCCCSC(=O)C 62a_100000038929_100000730899 [0,2,0,0,0,0|2,0,0]=4 11927 B13R0.54 COCCCCSCCCSC(=O)C 62a_100000730899_100000038929 [0,2,0,0,0,0|2,0,0]=4 11928 B13R0.54 COCCCCSCCOCC(=O)N 62a_100000076697_100000730899 [0,2,0,0,0,0|2,0,0]=4 11929 B13R0.54 COCCCCSCCOCC(=O)N 62a_100000730899_100000076697 [0,2,0,0,0,0|2,0,0]=4 11930 B13R0.54 COCCCNCCCCCB(O)O 34a_100150723488_200009817188 [0,2,0,0,0,0|1,0,1]=4 11931 B13R0.54 COCCCNCCCCCC(=O)N 34a_100150723488_100009817443 [0,2,0,0,0,0|1,0,0]=3 11932 B13R0.54 COCCCNCCCCNC(=O)C 2230a_200011368371_100000740836 [0,2,0,0,0,0|2,0,0]=4 11933 B13R0.54 COCCCNCCCCNC(=O)C 34a_200011368371_100000740836 [0,2,0,0,0,0|2,0,0]=4 11934 B13R0.54 COCCCNCCCCOC(=O)C 34a_100150723488_100000033659 [0,2,0,0,0,0|2,0,0]=4 11935 B13R0.54 COCCCNCCCCSC(=O)C 34a_100150723488_200010402107 [0,2,0,0,0,0|2,0,0]=4 11936 B13R0.54 COCCCOCCCCCB(O)O 34a_100000740835_200009817188 [0,2,0,0,0,0|1,0,1]=4 11937 B13R0.54 COCCCOCCCCCC(=O)N 34a_100000123541_100000740836 [0,2,0,0,0,0|1,0,0]=3 11938 B13R0.54 COCCCOCCCCCC(=O)N 34a_100000740835_100009817443 [0,2,0,0,0,0|1,0,0]=3 11939 B13R0.54 COCCCOCCCCCC(=O)N 7a_100000123541_100000740836 [0,2,0,0,0,0|1,0,0]=3 11940 B13R0.54 COCCCOCCCCCC(=O)[O-] 7a_100102619762_100000740836 [0,2,0,0,0,0|0,0,1]=3 11941 B13R0.54 COCCCOCCCCOC(=O)C 34a_100000073216_100000740836 [0,2,0,0,0,0|2,0,0]=4 11942 B13R0.54 COCCCOCCCCOC(=O)C 34a_100000740835_100000033659 [0,2,0,0,0,0|2,0,0]=4 11943 B13R0.54 COCCCOCCCCOC(=O)C 7a_100000073216_100000740836 [0,2,0,0,0,0|2,0,0]=4 11944 B13R0.54 COCCCOCCCCSC(=O)C 34a_100000740835_200010402107 [0,2,0,0,0,0|2,0,0]=4 11945 B13R0.54 COCCCOCCCOCC(=O)N 34a_200011215475_100000187820 [0,2,0,0,0,0|2,0,0]=4 11946 B13R0.54 COCCCOCCCOCC(=O)N 7a_200011215475_100000187820 [0,2,0,0,0,0|2,0,0]=4 11947 B13R0.54 COCCCOCCCOCC(=O)[O-] 34a_200011215475_100020667443 [0,2,0,0,0,0|1,0,1]=4 11948 B13R0.54 COCCCSCCCCCB(O)O 62a_100000709357_200009817188 [0,2,0,0,0,0|1,0,1]=4 11949 B13R0.54 COCCCSCCCCCB(O)O 62a_200009817188_100000709357 [0,2,0,0,0,0|1,0,1]=4 11950 B13R0.54 COCCCSCCCCCC(=O)N 62a_100000709357_100009817443 [0,2,0,0,0,0|1,0,0]=3 11951 B13R0.54 COCCCSCCCCCC(=O)N 62a_100009817443_100000709357 [0,2,0,0,0,0|1,0,0]=3 11952 B13R0.54 COCCCSCCCCOC(=O)C 62a_100000033659_100000709357 [0,2,0,0,0,0|2,0,0]=4 11953 B13R0.54 COCCCSCCCCOC(=O)C 62a_100000709357_100000033659 [0,2,0,0,0,0|2,0,0]=4 11954 B13R0.54 COCCCSCCCCSC(=O)C 62a_100000709357_200010402107 [0,2,0,0,0,0|2,0,0]=4 11955 B13R0.54 COCCCSCCCCSC(=O)C 62a_200010402107_100000709357 [0,2,0,0,0,0|2,0,0]=4 11956 B13R0.54 COCCNCCCCCCB(O)O 2230a_100000209980_100009817187 [0,2,0,0,0,0|1,0,1]=4 11957 B13R0.54 COCCNCCCCCNC(=O)C 2230a_200012022750_100011201679 [0,2,0,0,0,0|2,0,0]=4 11958 B13R0.54 COCCNCCCCCNC(=O)C 34a_200012022750_100011201679 [0,2,0,0,0,0|2,0,0]=4 11959 B13R0.54 COCCNCCCCCOC(=O)C 2230a_100000209980_100009813381 [0,2,0,0,0,0|2,0,0]=4 11960 B13R0.54 COCCOCCCCCCB(O)O 34a_100000210237_100009817187 [0,2,0,0,0,0|1,0,1]=4 11961 B13R0.54 COCCOCCCCCOC(=O)C 34a_100000210237_100000033007 [0,2,0,0,0,0|2,0,0]=4 11962 B13R0.54 COCCOCCCNCCC(=O)N 2230a_100000206027_100000744528 [0,2,0,0,0,0|2,0,0]=4 11963 B13R0.54 COCCOCCCNCCC(=O)N 34a_100000206027_100000731001 [0,2,0,0,0,0|2,0,0]=4 11964 B13R0.54 COCCOCCCNOCC(=O)O 269956a_100000106656_100011216529 [0,2,0,0,0,0|2,0,0]=4 11965 B13R0.54 COCCOCCCOCCC(=O)C 34a_100000759926_100011216529 [0,2,0,0,0,0|2,0,0]=4 11966 B13R0.54 COCCOCCCOCCC(=O)C 7a_100000759926_100011216529 [0,2,0,0,0,0|2,0,0]=4 11967 B13R0.54 COCCOCCCOCCC(=O)N 34a_100000757172_100011216529 [0,2,0,0,0,0|2,0,0]=4 11968 B13R0.54 COCCOCCCOCCC(=O)N 7a_100000757172_100011216529 [0,2,0,0,0,0|2,0,0]=4 11969 B13R0.54 COCCOCCCSCCC(=O)C 62a_100000053229_100011216529 [0,2,0,0,0,0|2,0,0]=4 11970 B13R0.54 COCCOCCCSCCC(=O)C 62a_100011216529_100000053229 [0,2,0,0,0,0|2,0,0]=4 11971 B13R0.54 COCCOCCCSCCC(=O)N 62a_100000744528_100011216529 [0,2,0,0,0,0|2,0,0]=4 11972 B13R0.54 COCCOCCCSCCC(=O)N 62a_100011216529_100000744528 [0,2,0,0,0,0|2,0,0]=4 11973 B13R0.54 COCCOCCNCCCC(=O)C 34a_100000745349_100000685027 [0,2,0,0,0,0|2,0,0]=4 11974 B13R0.54 COCCOCCNCCCC(=O)N 34a_100000739312_100000695917 [0,2,0,0,0,0|2,0,0]=4 11975 B13R0.54 COCCOCCNCCCC(=O)N 34a_100000745349_100102525003 [0,2,0,0,0,0|2,0,0]=4 11976 B13R0.54 COCCOCCOCCCC(=O)C 34a_100000759063_100000695917 [0,2,0,0,0,0|2,0,0]=4 11977 B13R0.54 COCCOCCOCCCC(=O)C 34a_100011215163_100000685027 [0,2,0,0,0,0|2,0,0]=4 11978 B13R0.54 COCCOCCOCCCC(=O)C 7a_100000759063_100000695917 [0,2,0,0,0,0|2,0,0]=4 11979 B13R0.54 COCCOCCOCCCC(=O)C 7a_100011215163_100011215641 [0,2,0,0,0,0|2,0,0]=4 11980 B13R0.54 COCCOCCOCCCC(=O)N 34a_100011215163_100102525003 [0,2,0,0,0,0|2,0,0]=4 11981 B13R0.54 COCCOCCOCCCC(=O)N 7a_100011215163_100102525003 [0,2,0,0,0,0|2,0,0]=4 11982 B13R0.54 COCCOCCSCCCC(=O)C 62a_100000695917_100011215641 [0,2,0,0,0,0|2,0,0]=4 11983 B13R0.54 COCCOCCSCCCC(=O)C 62a_100011215641_100000695917 [0,2,0,0,0,0|2,0,0]=4 11984 B13R0.54 COCCOCCSCCCC(=O)N 62a_100000695917_100102525003 [0,2,0,0,0,0|2,0,0]=4 11985 B13R0.54 COCCOCCSCCCC(=O)N 62a_100102525003_100000695917 [0,2,0,0,0,0|2,0,0]=4 11986 B13R0.54 COCCOCNCCOCC(=O)O 269956a_100000700818_100000231047 [0,2,0,0,0,0|2,0,0]=4 11987 B13R0.54 COCCOCSCCCCC(=O)C 62a_100000231047_100000735457 [0,2,0,0,0,0|2,0,0]=4 11988 B13R0.54 COCCOCSCCCCC(=O)C 62a_100000735457_100000231047 [0,2,0,0,0,0|2,0,0]=4 11989 B13R0.54 COCCSCCCCCCB(O)O 62a_100000233755_100009817187 [0,2,0,0,0,0|1,0,1]=4 11990 B13R0.54 COCCSCCCCCCB(O)O 62a_100009817187_100000233755 [0,2,0,0,0,0|1,0,1]=4 11991 B13R0.54 COCCSCCCCCOC(=O)C 62a_100000033007_100000233755 [0,2,0,0,0,0|2,0,0]=4 11992 B13R0.54 COCCSCCCCCOC(=O)C 62a_100000233755_100000033007 [0,2,0,0,0,0|2,0,0]=4 11993 B13R0.54 COCNCCCCCCNC(=O)C 2230a_200011996284_100000766300 [0,2,0,0,0,0|2,0,0]=4 11994 B13R0.54 COCNCCOCCOCC(=O)O 269956a_100009854275_100000766300 [0,2,0,0,0,0|2,0,0]=4 11995 B13R0.54 CS(=O)CCCNCCCCCCF 2230a_200000753449_100015922095 [0,2,0,0,0,0|2,0,0]=4 11996 B13R0.54 CS(=O)CCCNCCCCCCO 2230a_200000753449_100000766143 [0,2,0,0,0,0|2,0,0]=4 11997 B13R0.54 CSCCCCOCCCCB(O)O 34a_100011217163_200009817182 [0,2,0,0,0,0|1,0,1]=4 11998 B13R0.54 CSCCCCOCCCCB(O)O 7a_100011217163_200009817182 [0,2,0,0,0,0|1,0,1]=4 11999 B13R0.54 CSCCCCOCCCCC(=O)C 34a_100011217163_100009817362 [0,2,0,0,0,0|1,0,0]=3 12000 B13R0.54 CSCCCCOCCCCC(=O)C 7a_100011217163_100000735457 [0,2,0,0,0,0|1,0,0]=3 12001 B13R0.54 CSCCCCOCCCOC(=O)C 34a_100011217163_100000042594 [0,2,0,0,0,0|2,0,0]=4 12002 B13R0.54 CSCCCCOCCCOC(=O)C 7a_100011217163_100000042594 [0,2,0,0,0,0|2,0,0]=4 12003 B13R0.54 CSCCCCOCCCSC(=O)C 34a_100011217163_100000038929 [0,2,0,0,0,0|2,0,0]=4 12004 B13R0.54 CSCCCCOCCCSC(=O)C 7a_100011217163_100000038929 [0,2,0,0,0,0|2,0,0]=4 12005 B13R0.54 CSCCCCOCCOCC(=O)N 34a_100011217163_100000076697 [0,2,0,0,0,0|2,0,0]=4 12006 B13R0.54 CSCCCCOCCOCC(=O)N 7a_100011217163_100000076697 [0,2,0,0,0,0|2,0,0]=4 12007 B13R0.54 CSCCCNCCCCCB(O)O 2230a_100000749238_200009817188 [0,2,0,0,0,0|1,0,1]=4 12008 B13R0.54 CSCCCNCCCCCC(=O)N 2230a_100000749238_100009817443 [0,2,0,0,0,0|1,0,0]=3 12009 B13R0.54 CSCCCNCCCCSC(=O)C 2230a_100000749238_200010402107 [0,2,0,0,0,0|2,0,0]=4 12010 B13R0.54 CSCCCOCCCCCB(O)O 34a_100000690336_200009817188 [0,2,0,0,0,0|1,0,1]=4 12011 B13R0.54 CSCCCOCCCCCB(O)O 7a_100000690336_200009817188 [0,2,0,0,0,0|1,0,1]=4 12012 B13R0.54 CSCCCOCCCCCC(=O)N 34a_100000690336_100009817443 [0,2,0,0,0,0|1,0,0]=3 12013 B13R0.54 CSCCCOCCCCCC(=O)N 7a_100000690336_100009817443 [0,2,0,0,0,0|1,0,0]=3 12014 B13R0.54 CSCCCOCCCCOC(=O)C 34a_100000690336_100000033659 [0,2,0,0,0,0|2,0,0]=4 12015 B13R0.54 CSCCCOCCCCOC(=O)C 7a_100000690336_100000033659 [0,2,0,0,0,0|2,0,0]=4 12016 B13R0.54 CSCCCOCCCCSC(=O)C 34a_100000690336_200010402107 [0,2,0,0,0,0|2,0,0]=4 12017 B13R0.54 CSCCCOCCCCSC(=O)C 7a_100000690336_200010402107 [0,2,0,0,0,0|2,0,0]=4 12018 B13R0.54 CSCCNCCCCCCB(O)O 2230a_100020590264_100009817187 [0,2,0,0,0,0|1,0,1]=4 12019 B13R0.54 CSCCNCCCCCNC(=O)C 2230a_200012022750_100000751147 [0,2,0,0,0,0|2,0,0]=4 12020 B13R0.54 CSCCNCCCCCNC(=O)C 34a_200012022750_100000212216 [0,2,0,0,0,0|2,0,0]=4 12021 B13R0.54 CSCCNCCCCCOC(=O)C 2230a_100020590264_100009813381 [0,2,0,0,0,0|2,0,0]=4 12022 B13R0.54 CSCCOCCCCCCB(O)O 34a_100000230434_100009817187 [0,2,0,0,0,0|1,0,1]=4 12023 B13R0.54 CSCCOCCCCCCB(O)O 7a_100000230434_100009817187 [0,2,0,0,0,0|1,0,1]=4 12024 B13R0.54 CSCCOCCCCCOC(=O)C 34a_100000230434_100000033007 [0,2,0,0,0,0|2,0,0]=4 12025 B13R0.54 CSCCOCCCCCOC(=O)C 7a_100000230434_100000033007 [0,2,0,0,0,0|2,0,0]=4 12026 B13R0.54 CSCCSCCCCCCB(O)O 62a_100000212216_100009817187 [0,2,0,0,0,0|1,0,1]=4 12027 B13R0.54 CSCCSCCCCCCB(O)O 62a_100009817187_100000751147 [0,2,0,0,0,0|1,0,1]=4 12028 B13R0.54 CSCCSCCCCCOC(=O)C 62a_100000033007_100000751147 [0,2,0,0,0,0|2,0,0]=4 12029 B13R0.54 CSCCSCCCCCOC(=O)C 62a_100000212216_100000033007 [0,2,0,0,0,0|2,0,0]=4 12030 B13R0.54 CSCNCCCCCCNC(=O)C 2230a_200011996284_100011218213 [0,2,0,0,0,0|2,0,0]=4 12031 B13R0.54 CSCNCCCCCCNC(=O)C 34a_200011996284_100011218213 [0,2,0,0,0,0|2,0,0]=4 12032 B13R0.54 CSCNCCOCCOCC(=O)O 269956a_100009854275_100011218213 [0,2,0,0,0,0|2,0,0]=4 12033 B13R0.54 C[C@@H](O)CNCCCCCCCCO 2230a_102515433106_100009817552 [0,2,0,0,0,0|1,0,1]=4 12034 B13R0.54 C[C@@H](O)CNCCCCCCCCO 34a_102515433106_100009817552 [0,2,0,0,0,0|1,0,1]=4 12035 B13R0.54 C[C@@H](O)COCCCCCCCCBr 34a_100009813846_100009817552 [0,2,0,0,0,0|1,0,1]=4 12036 B13R0.54 C[C@@H](O)COCCCCCCCCBr 7a_100009813846_100009817552 [0,2,0,0,0,0|1,0,1]=4 12037 B13R0.54 C[C@@H](O)COCCCCCCCCCl 34a_100000033203_100009817552 [0,2,0,0,0,0|1,0,1]=4 12038 B13R0.54 C[C@@H](O)COCCCCCCCCCl 7a_100000033203_100009817552 [0,2,0,0,0,0|1,0,1]=4 12039 B13R0.54 C[C@@H](O)COCCCCCCCCN 34a_102515433106_100009817552 [0,2,0,0,0,0|1,0,1]=4 12040 B13R0.54 C[C@@H](O)CSCCCCCCCCO 62a_100000033203_100009817552 [0,2,0,0,0,0|1,0,1]=4 12041 B13R0.54 C[C@@H](O)CSCCCCCCCCO 62a_100009817552_100000033203 [0,2,0,0,0,0|1,0,1]=4 12042 B13R0.54 N#CCCCCCCNOCC(=O)O 269956a_100000106656_100009813337 [0,2,0,0,0,0|1,0,1]=4 12043 B13R0.54 N#CCCCCCCOCCC(=O)N 7a_100000757172_100009813337 [0,2,0,0,0,0|1,0,1]=4 12044 B13R0.54 N#CCCCCCCSCCC(=O)N 62a_100000744528_100009813337 [0,2,0,0,0,0|1,0,1]=4 12045 B13R0.54 N#CCCCCCCSCCC(=O)N 62a_100009813337_100000744528 [0,2,0,0,0,0|1,0,1]=4 12046 B13R0.54 N#CCCCCCSCCCC(=O)N 62a_100009813376_100102525003 [0,2,0,0,0,0|1,0,1]=4 12047 B13R0.54 N#CCCCCCSCCCC(=O)N 62a_100102525003_100009813376 [0,2,0,0,0,0|1,0,1]=4 12048 B13R0.54 N#CCCCCNCCOCC(=O)O 269956a_100000700818_100011219923 [0,2,0,0,0,0|1,0,1]=4 12049 B13R0.54 N#CCCCCOCCCCC(=O)N 7a_100012022536_100000211819 [0,2,0,0,0,0|1,0,1]=4 12050 B13R0.54 N#CCCCOCCCCCC(=O)N 7a_100000123541_100000687738 [0,2,0,0,0,0|1,0,1]=4 12051 B13R0.54 N#CCCCOCCCCCC(=O)[O-] 7a_100102619762_100000687738 [0,2,0,0,0,0|0,0,2]=4 12052 B13R0.54 N#CCCCSCCCCCC(=O)N 62a_100000687738_100009817443 [0,2,0,0,0,0|1,0,1]=4 12053 B13R0.54 N#CCCCSCCCCCC(=O)N 62a_100009817443_100000687738 [0,2,0,0,0,0|1,0,1]=4 12054 B13R0.54 NC(=O)CCCCCNCCCCO 2230a_100000750430_100009817443 [0,2,0,0,0,0|1,0,0]=3 12055 B13R0.54 NC(=O)CCCCCNCCCCO 34a_100000750430_100009817443 [0,2,0,0,0,0|1,0,0]=3 12056 B13R0.54 NC(=O)CCCCCOCCCC=O 7a_100000123541_200011292268 [0,2,0,0,0,0|1,0,1]=4 12057 B13R0.54 NC(=O)CCCCCOCCCCBr 34a_100011216708_100009817443 [0,2,0,0,0,0|1,0,0]=3 12058 B13R0.54 NC(=O)CCCCCOCCCCCl 34a_100000210776_100009817443 [0,2,0,0,0,0|1,0,0]=3 12059 B13R0.54 NC(=O)CCCCCOCCCCCl 7a_100000210776_100009817443 [0,2,0,0,0,0|1,0,0]=3 12060 B13R0.54 NC(=O)CCCCCOCCCCF 34a_100000123541_100000729493 [0,2,0,0,0,0|1,0,0]=3 12061 B13R0.54 NC(=O)CCCCCOCCCCF 34a_100011995726_100009817443 [0,2,0,0,0,0|1,0,0]=3 12062 B13R0.54 NC(=O)CCCCCOCCCCF 7a_100000123541_100000729493 [0,2,0,0,0,0|1,0,0]=3 12063 B13R0.54 NC(=O)CCCCCOCCCCF 7a_100011995726_100009817443 [0,2,0,0,0,0|1,0,0]=3 12064 B13R0.54 NC(=O)CCCCCOCCCCI 34a_200012148704_100009817443 [0,2,0,0,0,0|1,0,0]=3 12065 B13R0.54 NC(=O)CCCCCOCCCCO 34a_100000123541_100011216708 [0,2,0,0,0,0|1,0,0]=3 12066 B13R0.54 NC(=O)CCCCCOCCCCO 7a_100000123541_100000210776 [0,2,0,0,0,0|1,0,0]=3 12067 B13R0.54 NC(=O)CCCCCSCCCC=O 62a_100009817443_200011292268 [0,2,0,0,0,0|1,0,1]=4 12068 B13R0.54 NC(=O)CCCCCSCCCC=O 62a_200011292268_100009817443 [0,2,0,0,0,0|1,0,1]=4 12069 B13R0.54 NC(=O)CCCCCSCCCCF 62a_100000729493_100009817443 [0,2,0,0,0,0|1,0,0]=3 12070 B13R0.54 NC(=O)CCCCCSCCCCF 62a_100009817443_100000729493 [0,2,0,0,0,0|1,0,0]=3 12071 B13R0.54 NC(=O)CCCCCSCCCCO 62a_100000210776_100009817443 [0,2,0,0,0,0|1,0,0]=3 12072 B13R0.54 NC(=O)CCCCCSCCCCO 62a_100009817443_100000210776 [0,2,0,0,0,0|1,0,0]=3 12073 B13R0.54 NC(=O)CCCCNCCCCCF 34a_100000696515_100000729378 [0,2,0,0,0,0|1,0,0]=3 12074 B13R0.54 NC(=O)CCCCNCCCCCO 34a_100000696515_100000746330 [0,2,0,0,0,0|1,0,0]=3 12075 B13R0.54 NC(=O)CCCCNCCOCCO 34a_100000696515_100000692535 [0,2,0,0,0,0|2,0,0]=4 12076 B13R0.54 NC(=O)CCCCOCCCCC=O 7a_100012022536_100000139335 [0,2,0,0,0,0|1,0,1]=4 12077 B13R0.54 NC(=O)CCCCOCCCCCF 34a_100012022536_100000729378 [0,2,0,0,0,0|1,0,0]=3 12078 B13R0.54 NC(=O)CCCCOCCCCCF 7a_100012022536_100000729378 [0,2,0,0,0,0|1,0,0]=3 12079 B13R0.54 NC(=O)CCCCOCCCCCO 34a_100012022536_100000746330 [0,2,0,0,0,0|1,0,0]=3 12080 B13R0.54 NC(=O)CCCCOCCCCCO 7a_100012022536_100000746330 [0,2,0,0,0,0|1,0,0]=3 12081 B13R0.54 NC(=O)CCCCOCCOCCO 34a_100012022536_100000692535 [0,2,0,0,0,0|2,0,0]=4 12082 B13R0.54 NC(=O)CCCCOCCOCCO 7a_100012022536_100011215305 [0,2,0,0,0,0|2,0,0]=4 12083 B13R0.54 NC(=O)CCCNCCCCCCF 34a_100000739312_100015922095 [0,2,0,0,0,0|1,0,0]=3 12084 B13R0.54 NC(=O)CCCNCCCCCCO 34a_100000686447_100102525003 [0,2,0,0,0,0|1,0,0]=3 12085 B13R0.54 NC(=O)CCCNCCCCCCO 34a_100000739312_100000766143 [0,2,0,0,0,0|1,0,0]=3 12086 B13R0.54 NC(=O)CCCOCCCCCCBr 34a_100011215345_100102525003 [0,2,0,0,0,0|1,0,0]=3 12087 B13R0.54 NC(=O)CCCOCCCCCCBr 7a_100011215345_100102525003 [0,2,0,0,0,0|1,0,0]=3 12088 B13R0.54 NC(=O)CCCOCCCCCCCl 34a_100000766143_100102525003 [0,2,0,0,0,0|1,0,0]=3 12089 B13R0.54 NC(=O)CCCOCCCCCCCl 7a_100000766143_100102525003 [0,2,0,0,0,0|1,0,0]=3 12090 B13R0.54 NC(=O)CCCOCCCCCCF 34a_100000732779_100102525003 [0,2,0,0,0,0|1,0,0]=3 12091 B13R0.54 NC(=O)CCCOCCCCCCF 7a_100000732779_100102525003 [0,2,0,0,0,0|1,0,0]=3 12092 B13R0.54 NC(=O)CCCSCCCCCC=O 62a_100000139337_100102525003 [0,2,0,0,0,0|1,0,1]=4 12093 B13R0.54 NC(=O)CCCSCCCCCC=O 62a_100102525003_100000139337 [0,2,0,0,0,0|1,0,1]=4 12094 B13R0.54 NC(=O)CCCSCCCCCCF 62a_100015922095_100102525003 [0,2,0,0,0,0|1,0,0]=3 12095 B13R0.54 NC(=O)CCCSCCCCCCF 62a_100102525003_100015922095 [0,2,0,0,0,0|1,0,0]=3 12096 B13R0.54 NC(=O)CCCSCCCCCCO 62a_100000766143_100102525003 [0,2,0,0,0,0|1,0,0]=3 12097 B13R0.54 NC(=O)CCCSCCCCCCO 62a_100102525003_100000766143 [0,2,0,0,0,0|1,0,0]=3 12098 B13R0.54 NC(=O)CCNCCCCCCCO 2230a_100011996573_100000744528 [0,2,0,0,0,0|1,0,0]=3 12099 B13R0.54 NC(=O)CCNCCCCCCCO 34a_100011996573_100000731001 [0,2,0,0,0,0|1,0,0]=3 12100 B13R0.54 NC(=O)CCNCCCOCCCO 2230a_100011310245_100000744528 [0,2,0,0,0,0|2,0,0]=4 12101 B13R0.54 NC(=O)CCNCCCOCCCO 34a_100011310245_100000731001 [0,2,0,0,0,0|2,0,0]=4 12102 B13R0.54 NC(=O)CCOCCCCCCCBr 34a_100000760002_100000731001 [0,2,0,0,0,0|1,0,0]=3 12103 B13R0.54 NC(=O)CCOCCCCCCCBr 7a_100000760002_100000744528 [0,2,0,0,0,0|1,0,0]=3 12104 B13R0.54 NC(=O)CCOCCCCCCCO 34a_100000757172_100000760002 [0,2,0,0,0,0|1,0,0]=3 12105 B13R0.54 NC(=O)CCOCCCCCCCO 7a_100000757172_100000760002 [0,2,0,0,0,0|1,0,0]=3 12106 B13R0.54 NC(=O)CCSCCCCCCCO 62a_100000744528_100000760002 [0,2,0,0,0,0|1,0,0]=3 12107 B13R0.54 NC(=O)CCSCCCCCCCO 62a_100000760002_100000744528 [0,2,0,0,0,0|1,0,0]=3 12108 B13R0.54 NC(=O)CNCCCCCCCCO 2230a_100000711301_100000033203 [0,2,0,0,0,0|1,0,0]=3 12109 B13R0.54 NC(=O)CNCCCCCCCCO 2230a_102515433106_100000747473 [0,2,0,0,0,0|1,0,0]=3 12110 B13R0.54 NC(=O)CNCCCCCCCCO 34a_102515433106_100000187820 [0,2,0,0,0,0|1,0,0]=3 12111 B13R0.54 NC(=O)COCCCCCCCCBr 34a_100009813846_100000187820 [0,2,0,0,0,0|1,0,0]=3 12112 B13R0.54 NC(=O)COCCCCCCCCBr 7a_100009813846_100000187820 [0,2,0,0,0,0|1,0,0]=3 12113 B13R0.54 NC(=O)COCCCCCCCCCl 34a_100000033203_100000187820 [0,2,0,0,0,0|1,0,0]=3 12114 B13R0.54 NC(=O)COCCCCCCCCCl 7a_100000033203_100000187820 [0,2,0,0,0,0|1,0,0]=3 12115 B13R0.54 NC(=O)COCCNCCCCCO 2230a_100000762737_100000076697 [0,2,0,0,0,0|2,0,0]=4 12116 B13R0.54 NC(=O)COCCNCCCCCO 34a_100000762737_100000076697 [0,2,0,0,0,0|2,0,0]=4 12117 B13R0.54 NC(=O)COCCOCCCCCBr 34a_100000746331_100000076697 [0,2,0,0,0,0|2,0,0]=4 12118 B13R0.54 NC(=O)COCCOCCCCCBr 7a_100000746331_100000076697 [0,2,0,0,0,0|2,0,0]=4 12119 B13R0.54 NC(=O)COCCOCCCCCCl 34a_100000746330_100000076697 [0,2,0,0,0,0|2,0,0]=4 12120 B13R0.54 NC(=O)COCCOCCCCCCl 7a_100000746330_100000076697 [0,2,0,0,0,0|2,0,0]=4 12121 B13R0.54 NC(=O)COCCOCCCCCI 34a_200012148887_100000076697 [0,2,0,0,0,0|2,0,0]=4 12122 B13R0.54 NC(=O)COCCOCCCCCI 7a_200012148887_100000076697 [0,2,0,0,0,0|2,0,0]=4 12123 B13R0.54 NC(=O)COCCSCCCCCF 62a_100000076697_100000729378 [0,2,0,0,0,0|2,0,0]=4 12124 B13R0.54 NC(=O)COCCSCCCCCF 62a_100000729378_100000076697 [0,2,0,0,0,0|2,0,0]=4 12125 B13R0.54 NC(=O)COCCSCCCCCO 62a_100000076697_100000746330 [0,2,0,0,0,0|2,0,0]=4 12126 B13R0.54 NC(=O)COCCSCCCCCO 62a_100000746330_100000076697 [0,2,0,0,0,0|2,0,0]=4 12127 B13R0.54 NC(=O)CSCCCCCCCCO 62a_100000033203_100000747473 [0,2,0,0,0,0|1,0,0]=3 12128 B13R0.54 NC(=O)CSCCCCCCCCO 62a_100000747473_100000033203 [0,2,0,0,0,0|1,0,0]=3 12129 B13R0.54 NC(=O)NCCNCCCCCCF 34a_100020590234_100015922095 [0,2,0,0,0,0|2,0,0]=4 12130 B13R0.54 NC(=O)NCCNCCCCCCO 2230a_100000686447_200000034859 [0,2,0,0,0,0|2,0,0]=4 12131 B13R0.54 NC(=O)NCCNCCCCCCO 34a_100020590234_100000766143 [0,2,0,0,0,0|2,0,0]=4 12132 B13R0.54 NC(=O)NCCOCCCCCCBr 7a_100011215345_200000034859 [0,2,0,0,0,0|2,0,0]=4 12133 B13R0.54 NC(=O)NCCOCCCCCCCl 7a_100000766143_200000034859 [0,2,0,0,0,0|2,0,0]=4 12134 B13R0.54 NC(=O)NCCOCCCCCCF 34a_100000181757_100015922095 [0,2,0,0,0,0|2,0,0]=4 12135 B13R0.54 NC(=O)NCCOCCCCCCF 7a_100000732779_200000034859 [0,2,0,0,0,0|2,0,0]=4 12136 B13R0.54 NC(=O)NCCOCCCCCCO 34a_100000181757_100000766143 [0,2,0,0,0,0|2,0,0]=4 12137 B13R0.54 NC(=O)NCCSCCCCCCF 62a_100015922095_200000034859 [0,2,0,0,0,0|2,0,0]=4 12138 B13R0.54 NC(=O)NCCSCCCCCCF 62a_200000034859_100015922095 [0,2,0,0,0,0|2,0,0]=4 12139 B13R0.54 NC(=O)NCCSCCCCCCO 62a_100000766143_200000034859 [0,2,0,0,0,0|2,0,0]=4 12140 B13R0.54 NC(=O)NCCSCCCCCCO 62a_200000034859_100000766143 [0,2,0,0,0,0|2,0,0]=4 12141 B13R0.54 NC(=O)OCCNCCCCCCO 34a_100000686447_200011214921 [0,2,0,0,0,0|2,0,0]=4 12142 B13R0.54 NC(=O)OCCOCCCCCCBr 34a_100011215345_200011214921 [0,2,0,0,0,0|2,0,0]=4 12143 B13R0.54 NC(=O)OCCOCCCCCCBr 7a_100011215345_200011214921 [0,2,0,0,0,0|2,0,0]=4 12144 B13R0.54 NC(=O)OCCOCCCCCCCl 34a_100000766143_200011214921 [0,2,0,0,0,0|2,0,0]=4 12145 B13R0.54 NC(=O)OCCOCCCCCCCl 7a_100000766143_200011214921 [0,2,0,0,0,0|2,0,0]=4 12146 B13R0.54 NC(=O)OCCOCCCCCCF 34a_100000732779_200011214921 [0,2,0,0,0,0|2,0,0]=4 12147 B13R0.54 NC(=O)OCCOCCCCCCF 7a_100000732779_200011214921 [0,2,0,0,0,0|2,0,0]=4 12148 B13R0.54 NC(=O)OCCOCCCCCCF 7a_100000766696_100015922095 [0,2,0,0,0,0|2,0,0]=4 12149 B13R0.54 NC(=O)OCCOCCCCCCO 7a_100000766696_100000766143 [0,2,0,0,0,0|2,0,0]=4 12150 B13R0.54 NC(=O)OCCSCCCCCCF 62a_100015922095_200011214921 [0,2,0,0,0,0|2,0,0]=4 12151 B13R0.54 NC(=O)OCCSCCCCCCF 62a_200011214921_100015922095 [0,2,0,0,0,0|2,0,0]=4 12152 B13R0.54 NC(=O)OCCSCCCCCCO 62a_100000766143_200011214921 [0,2,0,0,0,0|2,0,0]=4 12153 B13R0.54 NC(=O)OCCSCCCCCCO 62a_200011214921_100000766143 [0,2,0,0,0,0|2,0,0]=4 12154 B13R0.54 NCCCCCCCCOCC(=O)N 34a_102515433106_100000187820 [0,2,0,0,0,0|1,0,0]=3 12155 B13R0.54 NCCCCCCCCOCC(=O)[O-] 34a_102515433106_100020667443 [0,2,0,0,0,0|0,0,1]=3 12156 B13R0.54 NCCCCCCCCOC[N+](=O)[O-] 34a_102515433106_100000761209 [0,2,0,0,0,0|1,0,1]=4 12157 B13R0.54 NCCCCCCCOCCC(=O)N 34a_100011996573_100000731001 [0,2,0,0,0,0|1,0,0]=3 12158 B13R0.54 NCCCCCCOCCCC(=O)N 34a_100000686447_100102525003 [0,2,0,0,0,0|1,0,0]=3 12159 B13R0.54 NCCCCCCOCCOC(=O)N 34a_100000686447_200011214921 [0,2,0,0,0,0|2,0,0]=4 12160 B13R0.54 NCCCCCOCCCCB(O)O 34a_100000762737_200009817182 [0,2,0,0,0,0|1,0,1]=4 12161 B13R0.54 NCCCCCOCCOCC(=O)N 34a_100000762737_100000076697 [0,2,0,0,0,0|2,0,0]=4 12162 B13R0.54 NCCCCOCCCCCB(O)O 34a_100000750430_200009817188 [0,2,0,0,0,0|1,0,1]=4 12163 B13R0.54 NCCCCOCCCCCC(=O)N 34a_100000750430_100009817443 [0,2,0,0,0,0|1,0,0]=3 12164 B13R0.54 NCCCOCCCCCCB(O)O 34a_100000182051_100009817187 [0,2,0,0,0,0|1,0,1]=4 12165 B13R0.54 NCCCOCCCOCCC(=O)N 34a_100011310245_100000731001 [0,2,0,0,0,0|2,0,0]=4 12166 B13R0.54 NCCNCCCCCOCC(=O)N 34a_103619048469_100000187820 [0,2,0,0,0,0|2,0,0]=4 12167 B13R0.54 NCCNCCCCCOCC(=O)[O-] 34a_103619048469_100020667443 [0,2,0,0,0,0|1,0,1]=4 12168 B13R0.54 O=C(O)CNCCCCCCCCO 269956a_100016091260_100000033203 [0,2,0,0,0,0|0,0,0]=2 12169 B13R0.54 O=C(O)CNCCOCCOCCO 269956a_100016091260_100000032323 [0,2,0,0,0,0|2,0,0]=4 12170 B13R0.54 O=C(O)COCCNCCCCCF 269956a_100000700818_100000729378 [0,2,0,0,0,0|1,0,0]=3 12171 B13R0.54 O=C(O)COCCNCCCCCO 269956a_100000700818_100000746330 [0,2,0,0,0,0|1,0,0]=3 12172 B13R0.54 O=C(O)COCCNCCOCCO 269956a_100000700818_100011215305 [0,2,0,0,0,0|2,0,0]=4 12173 B13R0.54 O=C(O)COCCOCCNCCF 269956a_100009854275_100011217306 [0,2,0,0,0,0|2,0,0]=4 12174 B13R0.54 O=C(O)COCCOCCNCCO 269956a_100009854275_100000211926 [0,2,0,0,0,0|2,0,0]=4 12175 B13R0.54 O=C(O)CONCCCCCCCO 269956a_100000106656_100000760002 [0,2,0,0,0,0|1,0,0]=3 12176 B13R0.54 O=C([O-])CCCCCOCCCCF 7a_100102619762_100000729493 [0,2,0,0,0,0|0,0,1]=3 12177 B13R0.54 O=C([O-])CCCCCOCCCCO 7a_100102619762_100000210776 [0,2,0,0,0,0|0,0,1]=3 12178 B13R0.54 O=C([O-])CNCCCCCCCCO 34a_102515433106_100020667443 [0,2,0,0,0,0|0,0,1]=3 12179 B13R0.54 O=C([O-])COCCCCCCCCBr 34a_100009813846_100020667443 [0,2,0,0,0,0|0,0,1]=3 12180 B13R0.54 O=C([O-])COCCCCCCCCCl 34a_100000033203_100020667443 [0,2,0,0,0,0|0,0,1]=3 12181 B13R0.54 O=C([O-])CSCCCCCCCCO 62a_100000033203_100020667443 [0,2,0,0,0,0|0,0,1]=3 12182 B13R0.54 O=C([O-])CSCCCCCCCCO 62a_100020667443_100000033203 [0,2,0,0,0,0|0,0,1]=3 12183 B13R0.54 O=CCCCCNCCOCC(=O)O 269956a_100000700818_100000139335 [0,2,0,0,0,0|1,0,1]=4 12184 B13R0.54 O=CCCCOCCCCCC(=O)[O-] 7a_100102619762_200011292268 [0,2,0,0,0,0|0,0,2]=4 12185 B13R0.54 O=[N+]([O-])CCCCOCCCCCF 34a_200015379883_100000729378 [0,2,0,0,0,0|1,0,1]=4 12186 B13R0.54 O=[N+]([O-])CCCCOCCCCCF 7a_200015379883_100000729378 [0,2,0,0,0,0|1,0,1]=4 12187 B13R0.54 O=[N+]([O-])CCCCOCCCCCO 34a_200015379883_100000746330 [0,2,0,0,0,0|1,0,1]=4 12188 B13R0.54 O=[N+]([O-])CCCCOCCCCCO 7a_200015379883_100000746330 [0,2,0,0,0,0|1,0,1]=4 12189 B13R0.54 O=[N+]([O-])CCCOCCCCCCF 34a_200000037920_100015922095 [0,2,0,0,0,0|1,0,1]=4 12190 B13R0.54 O=[N+]([O-])CCCOCCCCCCO 34a_200000037920_100000766143 [0,2,0,0,0,0|1,0,1]=4 12191 B13R0.54 O=[N+]([O-])CNCCCCCCCCO 34a_102515433106_100000761209 [0,2,0,0,0,0|1,0,1]=4 12192 B13R0.54 O=[N+]([O-])COCCCCCCCCBr 34a_100009813846_100000761209 [0,2,0,0,0,0|1,0,1]=4 12193 B13R0.54 O=[N+]([O-])COCCCCCCCCCl 34a_100000033203_100000761209 [0,2,0,0,0,0|1,0,1]=4 12194 B13R0.54 O=[N+]([O-])CSCCCCCCCCO 62a_100000033203_100000761209 [0,2,0,0,0,0|1,0,1]=4 12195 B13R0.54 OB(O)CCCCCCNCCCF 2230a_100015189416_100009817187 [0,2,0,0,0,0|1,0,1]=4 12196 B13R0.54 OB(O)CCCCCCNCCCF 34a_100015189416_100009817187 [0,2,0,0,0,0|1,0,1]=4 12197 B13R0.54 OB(O)CCCCCCOCCCBr 34a_100011217188_100009817187 [0,2,0,0,0,0|1,0,1]=4 12198 B13R0.54 OB(O)CCCCCCOCCCCl 34a_100000230001_100009817187 [0,2,0,0,0,0|1,0,1]=4 12199 B13R0.54 OB(O)CCCCCCOCCCF 34a_100000759539_100009817187 [0,2,0,0,0,0|1,0,1]=4 12200 B13R0.54 OB(O)CCCCCCSCCCF 62a_100009817187_100011934791 [0,2,0,0,0,0|1,0,1]=4 12201 B13R0.54 OB(O)CCCCCCSCCCF 62a_100011934791_100009817187 [0,2,0,0,0,0|1,0,1]=4 12202 B13R0.54 OB(O)CCCCCOCCCCBr 34a_100011216708_200009817188 [0,2,0,0,0,0|1,0,1]=4 12203 B13R0.54 OB(O)CCCCCOCCCCCl 34a_100000210776_200009817188 [0,2,0,0,0,0|1,0,1]=4 12204 B13R0.54 OB(O)CCCCCOCCCCCl 7a_100000210776_200009817188 [0,2,0,0,0,0|1,0,1]=4 12205 B13R0.54 OB(O)CCCCCOCCCCF 34a_100011995726_200009817188 [0,2,0,0,0,0|1,0,1]=4 12206 B13R0.54 OB(O)CCCCCOCCCCF 7a_100011995726_200009817188 [0,2,0,0,0,0|1,0,1]=4 12207 B13R0.54 OB(O)CCCCCOCCCCI 34a_200012148704_200009817188 [0,2,0,0,0,0|1,0,1]=4 12208 B13R0.54 OB(O)CCCCCSCCCCF 62a_100000729493_200009817188 [0,2,0,0,0,0|1,0,1]=4 12209 B13R0.54 OB(O)CCCCCSCCCCF 62a_200009817188_100000729493 [0,2,0,0,0,0|1,0,1]=4 12210 B13R0.54 OB(O)CCCCOCCCCCBr 34a_100000746331_200009817182 [0,2,0,0,0,0|1,0,1]=4 12211 B13R0.54 OB(O)CCCCOCCCCCBr 7a_100000746331_200009817182 [0,2,0,0,0,0|1,0,1]=4 12212 B13R0.54 OB(O)CCCCOCCCCCCl 34a_100000746330_200009817182 [0,2,0,0,0,0|1,0,1]=4 12213 B13R0.54 OB(O)CCCCOCCCCCCl 7a_100000746330_200009817182 [0,2,0,0,0,0|1,0,1]=4 12214 B13R0.54 OB(O)CCCCOCCCCCI 34a_200012148887_200009817182 [0,2,0,0,0,0|1,0,1]=4 12215 B13R0.54 OB(O)CCCCOCCCCCI 7a_200012148887_200009817182 [0,2,0,0,0,0|1,0,1]=4 12216 B13R0.54 OB(O)CCCCSCCCCCF 62a_100000729378_200009817182 [0,2,0,0,0,0|1,0,1]=4 12217 B13R0.54 OB(O)CCCCSCCCCCF 62a_200009817182_100000729378 [0,2,0,0,0,0|1,0,1]=4 12218 B13R0.54 OCCCCCNCCCCB(O)O 2230a_100000762737_200009817182 [0,2,0,0,0,0|1,0,1]=4 12219 B13R0.54 OCCCCCNCCCCB(O)O 34a_100000762737_200009817182 [0,2,0,0,0,0|1,0,1]=4 12220 B13R0.54 OCCCCCSCCCCB(O)O 62a_100000746330_200009817182 [0,2,0,0,0,0|1,0,1]=4 12221 B13R0.54 OCCCCCSCCCCB(O)O 62a_200009817182_100000746330 [0,2,0,0,0,0|1,0,1]=4 12222 B13R0.54 OCCCCNCCCCCB(O)O 2230a_100000750430_200009817188 [0,2,0,0,0,0|1,0,1]=4 12223 B13R0.54 OCCCCNCCCCCB(O)O 34a_100000750430_200009817188 [0,2,0,0,0,0|1,0,1]=4 12224 B13R0.54 OCCCCSCCCCCB(O)O 62a_100000210776_200009817188 [0,2,0,0,0,0|1,0,1]=4 12225 B13R0.54 OCCCCSCCCCCB(O)O 62a_200009817188_100000210776 [0,2,0,0,0,0|1,0,1]=4 12226 B13R0.54 OCCCSCCCCCCB(O)O 62a_100009817187_100011215043 [0,2,0,0,0,0|1,0,1]=4 12227 B13R0.54 OCCCSCCCCCCB(O)O 62a_100011215043_100009817187 [0,2,0,0,0,0|1,0,1]=4 12228 B13R0.119 CC(=O)CCCCOC(C)CCCCl 34a_200000718107_100009817362 [0,2,0,0,0,0|2,0,0]=4 12229 B13R0.119 CC(=O)CCCCOC(C)CCCCl 7a_200000718107_100000735457 [0,2,0,0,0,0|2,0,0]=4 12230 B13R0.119 CC(=O)CCCNC[C@H](C)CCCO 34a_100160569302_100000685027 [0,2,0,0,0,0|2,0,0]=4 12231 B13R0.119 CCCCC(=O)CCCCCB(O)O 1458a_100000210183_200009817188 [0,2,0,0,0,0|1,0,1]=4 12232 B13R0.119 CCCCC(=O)CCCCCC(=O)N 1458a_100000210183_100009817443 [0,2,0,0,0,0|1,0,0]=3 12233 B13R0.119 CCCCC(=O)CCCCC[N+](=O)[O-] 1458a_100000043470_100000210211 [0,2,0,0,0,0|1,0,1]=4 12234 B13R0.119 CCCCC(=O)CCCCOC(=O)C 1458a_100000210183_100000033659 [0,2,0,0,0,0|1,0,1]=4 12235 B13R0.119 CCCCC(=O)CCCCSC(=O)C 1458a_100000210183_200010402107 [0,2,0,0,0,0|1,0,1]=4 12236 B13R0.119 CCCCC(=O)NCCCCC(=O)N 11a_100000696515_100000210183 [0,2,0,0,0,0|1,0,1]=4 12237 B13R0.119 CCCCC(=O)NCCCCC(=O)N 1626a_100000696515_100000210183 [0,2,0,0,0,0|1,0,1]=4 12238 B13R0.119 CCCCC(=O)NCCCCC(=O)N 240690a_100000696515_100000210183 [0,2,0,0,0,0|1,0,1]=4 12239 B13R0.119 CCCCC(=O)NCCCCC(=O)N 527a_100000696515_100000210183 [0,2,0,0,0,0|1,0,1]=4 12240 B13R0.119 CCCCC(C)COCCCC(=O)C 34a_100011995851_100000685027 [0,2,0,0,0,0|1,0,0]=3 12241 B13R0.119 CCCCC(C)COCCCC(=O)C 7a_100011995851_100011215641 [0,2,0,0,0,0|1,0,0]=3 12242 B13R0.119 CCCCC(C)COCCCC(=O)N 34a_100011995851_100102525003 [0,2,0,0,0,0|1,0,0]=3 12243 B13R0.119 CCCCC(C)COCCCC(=O)N 7a_100011995851_100102525003 [0,2,0,0,0,0|1,0,0]=3 12244 B13R0.119 CCCCC(C)COCCCC(C)O 34a_100011995851_200000718107 [0,2,0,0,0,0|1,0,1]=4 12245 B13R0.119 CCCCC(C)COCCCC(C)O 7a_100011995851_200000718107 [0,2,0,0,0,0|1,0,1]=4 12246 B13R0.119 CCCCC(C)COCCNC(=O)C 7a_100011995851_100000189650 [0,2,0,0,0,0|2,0,0]=4 12247 B13R0.119 CCCCC(C)COCCNC(=O)N 7a_100011995851_200000034859 [0,2,0,0,0,0|2,0,0]=4 12248 B13R0.119 CCCCC(C)COCCOC(=O)C 34a_100011995851_100009814007 [0,2,0,0,0,0|2,0,0]=4 12249 B13R0.119 CCCCC(C)COCCOC(=O)C 7a_100011995851_100009814007 [0,2,0,0,0,0|2,0,0]=4 12250 B13R0.119 CCCCC(C)COCCOC(=O)N 34a_100011995851_200011214921 [0,2,0,0,0,0|2,0,0]=4 12251 B13R0.119 CCCCC(C)COCCOC(=O)N 7a_100011995851_200011214921 [0,2,0,0,0,0|2,0,0]=4 12252 B13R0.119 CCCCC(C)NCCCCB(O)O 2230a_100000126638_200009817182 [0,2,0,0,0,0|1,0,1]=4 12253 B13R0.119 CCCCC(C)NCCCCC(=O)N 270004a_100000696515_100000210087 [0,2,0,0,0,0|1,0,0]=3 12254 B13R0.119 CCCCC(C)NCCCCC(=O)N 34a_100000696515_200011215066 [0,2,0,0,0,0|1,0,0]=3 12255 B13R0.119 CCCCC(C)NCCCNC(=O)C 270004a_100000736810_100000210087 [0,2,0,0,0,0|2,0,0]=4 12256 B13R0.119 CCCCC(C)NCCCNC(=O)C 34a_100000736810_200011215066 [0,2,0,0,0,0|2,0,0]=4 12257 B13R0.119 CCCCC(C)NCCCSC(=O)C 2230a_100000126638_100000038929 [0,2,0,0,0,0|2,0,0]=4 12258 B13R0.119 CCCCC(C)NCCOCC(=O)N 2230a_100000126638_100000076697 [0,2,0,0,0,0|2,0,0]=4 12259 B13R0.119 CCCCC(C)NCCOCC(=O)O 269956a_100000700818_200011215066 [0,2,0,0,0,0|1,0,0]=3 12260 B13R0.119 CCCCC(C)OCCCCB(O)O 34a_100000687866_200009817182 [0,2,0,0,0,0|1,0,1]=4 12261 B13R0.119 CCCCC(C)OCCCCB(O)O 7a_100000687866_200009817182 [0,2,0,0,0,0|1,0,1]=4 12262 B13R0.119 CCCCC(C)OCCCCC(=O)C 34a_100000687866_100009817362 [0,2,0,0,0,0|1,0,0]=3 12263 B13R0.119 CCCCC(C)OCCCCC(=O)C 7a_100000687866_100000735457 [0,2,0,0,0,0|1,0,0]=3 12264 B13R0.119 CCCCC(C)OCCCCC(=O)N 34a_100012022536_200011215066 [0,2,0,0,0,0|1,0,0]=3 12265 B13R0.119 CCCCC(C)OCCCCC(=O)N 7a_100012022536_200011215066 [0,2,0,0,0,0|1,0,0]=3 12266 B13R0.119 CCCCC(C)OCCCC[N+](=O)[O-] 34a_200015379883_200011215066 [0,2,0,0,0,0|1,0,1]=4 12267 B13R0.119 CCCCC(C)OCCCC[N+](=O)[O-] 7a_200015379883_200011215066 [0,2,0,0,0,0|1,0,1]=4 12268 B13R0.119 CCCCC(C)OCCCNC(=O)C 34a_100000752032_200011215066 [0,2,0,0,0,0|2,0,0]=4 12269 B13R0.119 CCCCC(C)OCCCOC(=O)C 34a_100000687866_100000042594 [0,2,0,0,0,0|2,0,0]=4 12270 B13R0.119 CCCCC(C)OCCCOC(=O)C 7a_100000687866_100000042594 [0,2,0,0,0,0|2,0,0]=4 12271 B13R0.119 CCCCC(C)OCCCSC(=O)C 34a_100000687866_100000038929 [0,2,0,0,0,0|2,0,0]=4 12272 B13R0.119 CCCCC(C)OCCCSC(=O)C 7a_100000687866_100000038929 [0,2,0,0,0,0|2,0,0]=4 12273 B13R0.119 CCCCC(C)OCCOCC(=O)N 34a_100000687866_100000076697 [0,2,0,0,0,0|2,0,0]=4 12274 B13R0.119 CCCCC(C)OCCOCC(=O)N 7a_100000687866_100000076697 [0,2,0,0,0,0|2,0,0]=4 12275 B13R0.119 CCCCC(C)SCCCCB(O)O 62a_200009817182_200011215066 [0,2,0,0,0,0|1,0,1]=4 12276 B13R0.119 CCCCC(C)SCCCCB(O)O 62a_200011215066_200009817182 [0,2,0,0,0,0|1,0,1]=4 12277 B13R0.119 CCCCC(C)SCCCCC(=O)C 62a_100000735457_200011215066 [0,2,0,0,0,0|1,0,0]=3 12278 B13R0.119 CCCCC(C)SCCCCC(=O)C 62a_200011215066_100000735457 [0,2,0,0,0,0|1,0,0]=3 12279 B13R0.119 CCCCC(C)SCCCOC(=O)C 62a_100000042594_200011215066 [0,2,0,0,0,0|2,0,0]=4 12280 B13R0.119 CCCCC(C)SCCCOC(=O)C 62a_200011215066_100000042594 [0,2,0,0,0,0|2,0,0]=4 12281 B13R0.119 CCCCC(C)SCCCSC(=O)C 62a_100000038929_200011215066 [0,2,0,0,0,0|2,0,0]=4 12282 B13R0.119 CCCCC(C)SCCCSC(=O)C 62a_200011215066_100000038929 [0,2,0,0,0,0|2,0,0]=4 12283 B13R0.119 CCCCC(C)SCCOCC(=O)N 62a_100000076697_200011215066 [0,2,0,0,0,0|2,0,0]=4 12284 B13R0.119 CCCCC(C)SCCOCC(=O)N 62a_200011215066_100000076697 [0,2,0,0,0,0|2,0,0]=4 12285 B13R0.119 CCCCN(C)CCCCCB(O)O 2230a_100000207549_200009817188 [0,2,0,0,0,0|1,0,1]=4 12286 B13R0.119 CCCCN(C)CCCCCB(O)O 269982a_100000207549_200009817188 [0,2,0,0,0,0|1,0,1]=4 12287 B13R0.119 CCCCN(C)CCCCCC(=O)N 2230a_100000207549_100009817443 [0,2,0,0,0,0|1,0,0]=3 12288 B13R0.119 CCCCN(C)CCCCCC(=O)N 269982a_100000207549_100009817443 [0,2,0,0,0,0|1,0,0]=3 12289 B13R0.119 CCCCN(C)CCCCOC(=O)C 269982a_100000207549_100000033659 [0,2,0,0,0,0|2,0,0]=4 12290 B13R0.119 CCCCN(C)CCCCSC(=O)C 2230a_100000207549_200010402107 [0,2,0,0,0,0|2,0,0]=4 12291 B13R0.119 CCCCN(C)CCCCSC(=O)C 269982a_100000207549_200010402107 [0,2,0,0,0,0|2,0,0]=4 12292 B13R0.119 CCCC[C@H](N)COCCCC(=O)C 34a_100011934283_100000685027 [0,2,0,0,0,0|1,0,0]=3 12293 B13R0.119 CCCC[C@H](N)COCCCC(=O)N 34a_100011934283_100102525003 [0,2,0,0,0,0|1,0,0]=3 12294 B13R0.119 CCCC[C@H](N)COCCCC(C)O 34a_100011934283_200000718107 [0,2,0,0,0,0|1,0,1]=4 12295 B13R0.119 CCCC[C@H](N)COCCOC(=O)C 34a_100011934283_100009814007 [0,2,0,0,0,0|2,0,0]=4 12296 B13R0.119 CCCC[C@H](N)COCCOC(=O)N 34a_100011934283_200011214921 [0,2,0,0,0,0|2,0,0]=4 12297 B13R0.119 CCCNC(=O)CCCNCC(=O)O 269956a_100016091260_100011194427 [0,2,0,0,0,0|1,0,1]=4 12298 B13R0.119 CCCOC(C)CNCCCC(=O)C 34a_100015185124_100000685027 [0,2,0,0,0,0|2,0,0]=4 12299 B13R0.119 CCCOC(C)CNCCCC(=O)N 34a_100015185124_100102525003 [0,2,0,0,0,0|2,0,0]=4 12300 B13R0.119 CCOCC(=O)CCCCCC(=O)N 1458a_100000211967_100009817443 [0,2,0,0,0,0|1,0,1]=4 12301 B13R0.119 CCOCC(C)OCCCCC(=O)C 34a_100000718985_100009817362 [0,2,0,0,0,0|2,0,0]=4 12302 B13R0.119 CCOCC(C)OCCCCC(=O)C 7a_100000718985_100000735457 [0,2,0,0,0,0|2,0,0]=4 12303 B13R0.119 CCOCC(O)CNCCCC(=O)C 34a_102515437182_100000685027 [0,2,0,0,0,0|2,0,0]=4 12304 B13R0.119 CCOCC(O)CNCCCC(=O)N 34a_102515437182_100102525003 [0,2,0,0,0,0|2,0,0]=4 12305 B13R0.119 CCSCC(=O)CCCCCC(=O)N 1458a_100000230394_100009817443 [0,2,0,0,0,0|1,0,1]=4 12306 B13R0.119 CCSCC(C)NCCCCC(=O)N 270004a_100000696515_200011216171 [0,2,0,0,0,0|2,0,0]=4 12307 B13R0.119 CN(CCCO)CCCCCC(=O)N 2230a_100000213112_100009817443 [0,2,0,0,0,0|2,0,0]=4 12308 B13R0.119 CN(CCCO)CCCCCC(=O)N 269982a_100000213112_100009817443 [0,2,0,0,0,0|2,0,0]=4 12309 B13R0.119 COCCC(=O)CCCCCC(=O)N 1458a_100000749529_100009817443 [0,2,0,0,0,0|1,0,1]=4 12310 B13R0.119 COCCC(C)NCCCCC(=O)N 270004a_100000696515_100000742357 [0,2,0,0,0,0|2,0,0]=4 12311 B13R0.119 COCCN(C)CCCCCC(=O)N 2230a_100000743101_100009817443 [0,2,0,0,0,0|2,0,0]=4 12312 B13R0.119 COCCN(C)CCCCCC(=O)N 269982a_100000743101_100009817443 [0,2,0,0,0,0|2,0,0]=4 12313 B13R0.119 CSCCC(=O)CCCCCC(=O)N 1458a_100000174002_100009817443 [0,2,0,0,0,0|1,0,1]=4 12314 B13R0.119 CSCCC(C)NCCCCC(=O)N 270004a_100000696515_100011217047 [0,2,0,0,0,0|2,0,0]=4 12315 B13R0.119 CSCCN(C)CCCCCC(=O)N 2230a_100000686725_100009817443 [0,2,0,0,0,0|2,0,0]=4 12316 B13R0.119 CSCCN(C)CCCCCC(=O)N 269982a_100000686725_100009817443 [0,2,0,0,0,0|2,0,0]=4 12317 B13R0.119 CSCC[C@H](N)COCCCC(=O)C 34a_100011827619_100000685027 [0,2,0,0,0,0|2,0,0]=4 12318 B13R0.119 CSCC[C@H](N)COCCCC(=O)N 34a_100011827619_100102525003 [0,2,0,0,0,0|2,0,0]=4 12319 B13R0.119 C[C@H](CCCO)CNCCCC(=O)N 34a_100160569302_100102525003 [0,2,0,0,0,0|2,0,0]=4 12320 B13R0.147 C#CC(=O)CCCCCCC#CCC 1458a_100000211873_200000036426 [0,2,0,0,0,0|1,0,1]=4 12321 B13R0.147 C#CC(=O)CCCCCCCCC=C 1458a_100000211873_100011933949 [0,2,0,0,0,0|1,0,1]=4 12322 B13R0.147 C#CC(=O)CCCCCCCCCC 1458a_100000211873_100000210319 [0,2,0,0,0,0|1,0,0]=3 12323 B13R0.147 C#CC(=O)CCCCCCCCCO 1458a_100000211873_100009813782 [0,2,0,0,0,0|1,0,0]=3 12324 B13R0.147 C#CC(O)CCCCCNCCCC 2230a_100000102301_200010408556 [0,2,0,0,0,0|1,0,1]=4 12325 B13R0.147 C#CC(O)CCCCCNCCCC 7a_106832991798_200010408556 [0,2,0,0,0,0|1,0,1]=4 12326 B13R0.147 C#CC(O)CCCCCOCCCC 34a_100000210227_200010408556 [0,2,0,0,0,0|1,0,1]=4 12327 B13R0.147 C#CC(O)CCCCCOCCCC 7a_100000210227_200010408556 [0,2,0,0,0,0|1,0,1]=4 12328 B13R0.147 C#CC(O)CCCCCSCCCC 62a_100000210211_200010408556 [0,2,0,0,0,0|1,0,1]=4 12329 B13R0.147 C#CC(O)CCCCCSCCCC 62a_200010408556_100000210210 [0,2,0,0,0,0|1,0,1]=4 12330 B13R0.147 C#CCCCCCCCCC(=O)CC 1458a_100000029693_100000210202 [0,2,0,0,0,0|1,0,1]=4 12331 B13R0.147 C#CCCCCCCCCC(=O)CF 1458a_100000029693_100015361967 [0,2,0,0,0,0|1,0,1]=4 12332 B13R0.147 C#CCCCCCCCCC(=O)NC 11a_106832991635_100000029693 [0,2,0,0,0,0|1,0,1]=4 12333 B13R0.147 C#CCCCCCCCCC(=O)NC 1626a_100102657272_100000029693 [0,2,0,0,0,0|1,0,1]=4 12334 B13R0.147 C#CCCCCCCCCC(=O)NC 240690a_100102657272_100000029693 [0,2,0,0,0,0|1,0,1]=4 12335 B13R0.147 C#CCCCCCCCCC(=O)NC 527a_100102657272_100000029693 [0,2,0,0,0,0|1,0,1]=4 12336 B13R0.147 C#CCCCCCCOCC(=O)OC 34a_100011217361_100000747449 [0,2,0,0,0,0|0,0,2]=4 12337 B13R0.147 C#CCCCCCCOCC(=O)OC 7a_100011217361_100000747449 [0,2,0,0,0,0|0,0,2]=4 12338 B13R0.147 C#CCCCCCCSCC(=O)OC 62a_100000747449_100012276617 [0,2,0,0,0,0|0,0,2]=4 12339 B13R0.147 C#CCCCCCCSCC(=O)OC 62a_100012276617_100000747449 [0,2,0,0,0,0|0,0,2]=4 12340 B13R0.147 C#CCCCCCOCCC(=O)OC 34a_100000766912_100000742370 [0,2,0,0,0,0|0,0,2]=4 12341 B13R0.147 C#CCCCCCOCCC(=O)OC 7a_100000766912_100000204255 [0,2,0,0,0,0|0,0,2]=4 12342 B13R0.147 C#CCCCCCSCCC(=O)OC 62a_100000204255_100012094781 [0,2,0,0,0,0|0,0,2]=4 12343 B13R0.147 C#CCCCCCSCCC(=O)OC 62a_100012094781_100000204255 [0,2,0,0,0,0|0,0,2]=4 12344 B13R0.147 C#CCCCCNCCCC(=O)OC 2230a_100000706060_100011218270 [0,2,0,0,0,0|0,0,2]=4 12345 B13R0.147 C#CCCCCNCCCC(=O)OC 34a_100000706060_100000742333 [0,2,0,0,0,0|0,0,2]=4 12346 B13R0.147 C#CCCCCOCCCC(=O)OC 34a_100000766709_100000742333 [0,2,0,0,0,0|0,0,2]=4 12347 B13R0.147 C#CCCCCOCCCC(=O)OC 7a_100000766709_100011218270 [0,2,0,0,0,0|0,0,2]=4 12348 B13R0.147 C#CCCCCSCCCC(=O)OC 62a_100010269958_100011218270 [0,2,0,0,0,0|0,0,2]=4 12349 B13R0.147 C#CCCCCSCCCC(=O)OC 62a_100011218270_100010269958 [0,2,0,0,0,0|0,0,2]=4 12350 B13R0.147 C#CCCCNCCCCC(=O)OC 34a_100000718082_100000204269 [0,2,0,0,0,0|0,0,2]=4 12351 B13R0.147 C#CCCCOCCCCC(=O)OC 34a_100000059025_100000695029 [0,2,0,0,0,0|0,0,2]=4 12352 B13R0.147 C#CCCCOCCCCC(=O)OC 34a_100000215630_100000204269 [0,2,0,0,0,0|0,0,2]=4 12353 B13R0.147 C#CCCCOCCCCC(=O)OC 7a_100000059025_100011215417 [0,2,0,0,0,0|0,0,2]=4 12354 B13R0.147 C#CCCCOCCCCC(=O)OC 7a_100000215630_100000204269 [0,2,0,0,0,0|0,0,2]=4 12355 B13R0.147 C#CCCCSCCCCC(=O)OC 62a_100000204269_100011215417 [0,2,0,0,0,0|0,0,2]=4 12356 B13R0.147 C#CCCCSCCCCC(=O)OC 62a_100011215417_100000204269 [0,2,0,0,0,0|0,0,2]=4 12357 B13R0.147 C#CCCNCCCCCC(=O)OC 34a_100000755551_100009816466 [0,2,0,0,0,0|0,0,2]=4 12358 B13R0.147 C#CCCOCCCCCC(=O)OC 34a_100000074720_100000688953 [0,2,0,0,0,0|0,0,2]=4 12359 B13R0.147 C#CCCOCCCCCC(=O)OC 34a_100011215631_100009816466 [0,2,0,0,0,0|0,0,2]=4 12360 B13R0.147 C#CCCOCCCCCC(=O)OC 7a_100000074720_100000688953 [0,2,0,0,0,0|0,0,2]=4 12361 B13R0.147 C#CCCSCCCCCC(=O)OC 62a_100000688953_100009816466 [0,2,0,0,0,0|0,0,2]=4 12362 B13R0.147 C#CCCSCCCCCC(=O)OC 62a_100009816466_100000688953 [0,2,0,0,0,0|0,0,2]=4 12363 B13R0.147 C#CCNCCCCCCC(=O)OC 34a_100000212058_100009815986 [0,2,0,0,0,0|0,0,2]=4 12364 B13R0.147 C#CCOCCCCCCC(=O)OC 34a_100000210247_100009815986 [0,2,0,0,0,0|0,0,2]=4 12365 B13R0.147 C#CCOCCCCCCC(=O)OC 34a_100009863599_100000184674 [0,2,0,0,0,0|0,0,2]=4 12366 B13R0.147 C#CCOCCCCCCC(=O)OC 7a_100009863599_100000038162 [0,2,0,0,0,0|0,0,2]=4 12367 B13R0.147 C#CCSCCCCCCC(=O)OC 62a_100000038162_100009815986 [0,2,0,0,0,0|0,0,2]=4 12368 B13R0.147 C/C=C/CCOCCCCC(=O)OC 34a_100016278192_100000204269 [0,2,0,0,0,0|0,0,2]=4 12369 B13R0.147 C/C=C/COCCCCCC(=O)OC 34a_100000074720_100102629194 [0,2,0,0,0,0|0,0,2]=4 12370 B13R0.147 C/C=C/COCCCCCC(=O)OC 34a_100016270725_100009816466 [0,2,0,0,0,0|0,0,2]=4 12371 B13R0.147 C/C=C/COCCCCCC(=O)OC 7a_100000074720_100102629194 [0,2,0,0,0,0|0,0,2]=4 12372 B13R0.147 C/C=C/CSCCCCCC(=O)OC 62a_100009816466_100102629194 [0,2,0,0,0,0|0,0,2]=4 12373 B13R0.147 C/C=C/CSCCCCCC(=O)OC 62a_100102629194_100009816466 [0,2,0,0,0,0|0,0,2]=4 12374 B13R0.147 C=C(C#N)CNCCCCCCCC 2230a_100000229939_100000694840 [0,2,0,0,0,0|2,0,0]=4 12375 B13R0.147 C=C(C#N)CNCCCCCCCC 34a_100000229939_100000694840 [0,2,0,0,0,0|2,0,0]=4 12376 B13R0.147 C=C(C#N)COCCCCCCCC 34a_100000210232_100000694840 [0,2,0,0,0,0|2,0,0]=4 12377 B13R0.147 C=C(C#N)CSCCCCCCCC 62a_100000210759_100000694840 [0,2,0,0,0,0|2,0,0]=4 12378 B13R0.147 C=CC(=O)CCCCCCC#CCC 1458a_100000185746_200000036426 [0,2,0,0,0,0|1,0,1]=4 12379 B13R0.147 C=CC(=O)CCCCCCCCCC 1458a_100000185746_100000210319 [0,2,0,0,0,0|1,0,0]=3 12380 B13R0.147 C=CC(=O)CCCCCCCCCO 1458a_100000185746_100009813782 [0,2,0,0,0,0|1,0,0]=3 12381 B13R0.147 C=CC(=O)NCCCCCCCCC 1626a_100000212291_100000185746 [0,2,0,0,0,0|1,0,0]=3 12382 B13R0.147 C=CC(=O)NCCCCCCCCC 240690a_100000212291_200121576911 [0,2,0,0,0,0|1,0,0]=3 12383 B13R0.147 C=CC(=O)NCCCCCCCCO 240690a_102515433106_200121576911 [0,2,0,0,0,0|2,0,0]=4 12384 B13R0.147 C=CC(=O)NCCCCOCCCC 34a_100014118770_100000210210 [0,2,0,0,0,0|2,0,0]=4 12385 B13R0.147 C=CC(=O)NCCNCCCCCC 2230a_114873766552_100000210314 [0,2,0,0,0,0|2,0,0]=4 12386 B13R0.147 C=CC(=O)NCCOCCCCCC 34a_100011304386_100000210314 [0,2,0,0,0,0|2,0,0]=4 12387 B13R0.147 C=CC(=O)OCCCCCCNCC 2230a_100015525214_100009894100 [0,2,0,0,0,0|2,0,0]=4 12388 B13R0.147 C=CC(=O)OCCCCCCOCC 34a_100121572206_100009894100 [0,2,0,0,0,0|2,0,0]=4 12389 B13R0.147 C=CC(=O)OCCCCCCSCC 62a_100000210202_100009894100 [0,2,0,0,0,0|2,0,0]=4 12390 B13R0.147 C=CC(=O)OCCCCCCSCC 62a_100009894100_100000210202 [0,2,0,0,0,0|2,0,0]=4 12391 B13R0.147 C=CC(=O)OCCCCCOCCC 7a_200011023508_100000210303 [0,2,0,0,0,0|2,0,0]=4 12392 B13R0.147 C=CC(=O)OCCNCCCCCC 2230a_100000210581_100009813456 [0,2,0,0,0,0|2,0,0]=4 12393 B13R0.147 C=CC(=O)OCCOCCCCCC 34a_100000210259_100009813456 [0,2,0,0,0,0|2,0,0]=4 12394 B13R0.147 C=CC(=O)OCCOCCCCCC 7a_100000210259_100009813456 [0,2,0,0,0,0|2,0,0]=4 12395 B13R0.147 C=CC(=O)OCCSCCCCCC 62a_100000210314_100009813456 [0,2,0,0,0,0|2,0,0]=4 12396 B13R0.147 C=CC(=O)OCCSCCCCCC 62a_100009813456_100000210757 [0,2,0,0,0,0|2,0,0]=4 12397 B13R0.147 C=CC(O)CNCCCCCCCC 2230a_100000229939_100000730141 [0,2,0,0,0,0|1,0,1]=4 12398 B13R0.147 C=CC(O)CNCCCCCCCC 34a_100000229939_100000730141 [0,2,0,0,0,0|1,0,1]=4 12399 B13R0.147 C=CC(O)COCCCCCCCC 34a_100000210232_100000730141 [0,2,0,0,0,0|1,0,1]=4 12400 B13R0.147 C=CC(O)COCCCCCCCC 7a_100000210232_100000730141 [0,2,0,0,0,0|1,0,1]=4 12401 B13R0.147 C=CC(O)CSCCCCCCCC 62a_100000210759_100000730141 [0,2,0,0,0,0|1,0,1]=4 12402 B13R0.147 C=CC(O)CSCCCCCCCC 62a_100000730141_100000210317 [0,2,0,0,0,0|1,0,1]=4 12403 B13R0.147 C=CCCCCCCCCC(=O)C=C 1458a_100000185746_100011933949 [0,2,0,0,0,0|1,0,1]=4 12404 B13R0.147 C=CCCCCCCCCC(=O)CC 1458a_100000210414_100011933949 [0,2,0,0,0,0|1,0,1]=4 12405 B13R0.147 C=CCCCCCCCCC(=O)CC 1458a_100000211349_100000210202 [0,2,0,0,0,0|1,0,1]=4 12406 B13R0.147 C=CCCCCCCCCC(=O)CF 1458a_100000211349_100015361967 [0,2,0,0,0,0|1,0,1]=4 12407 B13R0.147 C=CCCCCCCCCC(=O)CO 1458a_100000210174_100011933949 [0,2,0,0,0,0|0,0,1]=3 12408 B13R0.147 C=CCCCCCCCCC(=O)NC 11a_106832991635_100000211349 [0,2,0,0,0,0|1,0,1]=4 12409 B13R0.147 C=CCCCCCCCCC(=O)NC 1626a_100102657272_100000211349 [0,2,0,0,0,0|1,0,1]=4 12410 B13R0.147 C=CCCCCCCCCC(=O)NC 240690a_100102657272_100000211349 [0,2,0,0,0,0|1,0,1]=4 12411 B13R0.147 C=CCCCCCCCCC(=O)NC 527a_100102657272_100000211349 [0,2,0,0,0,0|1,0,1]=4 12412 B13R0.147 C=CCCCCCCOCC(=O)OC 34a_200011216477_100000747449 [0,2,0,0,0,0|0,0,2]=4 12413 B13R0.147 C=CCCCCCCOCC(=O)OC 7a_200011216477_100000747449 [0,2,0,0,0,0|0,0,2]=4 12414 B13R0.147 C=CCCCCCCSCC(=O)OC 62a_100000747449_100011215473 [0,2,0,0,0,0|0,0,2]=4 12415 B13R0.147 C=CCCCCCCSCC(=O)OC 62a_100011215473_100000747449 [0,2,0,0,0,0|0,0,2]=4 12416 B13R0.147 C=CCCCCCOCCC(=O)OC 34a_100011216702_100000742370 [0,2,0,0,0,0|0,0,2]=4 12417 B13R0.147 C=CCCCCCOCCC(=O)OC 7a_100011216702_100000204255 [0,2,0,0,0,0|0,0,2]=4 12418 B13R0.147 C=CCCCCCSCCC(=O)OC 62a_100000204255_100000700193 [0,2,0,0,0,0|0,0,2]=4 12419 B13R0.147 C=CCCCCCSCCC(=O)OC 62a_100000700193_100000204255 [0,2,0,0,0,0|0,0,2]=4 12420 B13R0.147 C=CCCCCNCCCC(=O)OC 2230a_100000703577_100011218270 [0,2,0,0,0,0|0,0,2]=4 12421 B13R0.147 C=CCCCCNCCCC(=O)OC 34a_100000703577_100000742333 [0,2,0,0,0,0|0,0,2]=4 12422 B13R0.147 C=CCCCCOCCCC(=O)OC 34a_100000766645_100000742333 [0,2,0,0,0,0|0,0,2]=4 12423 B13R0.147 C=CCCCCOCCCC(=O)OC 7a_100000766645_100011218270 [0,2,0,0,0,0|0,0,2]=4 12424 B13R0.147 C=CCCCCSCCCC(=O)OC 62a_100011215482_100011218270 [0,2,0,0,0,0|0,0,2]=4 12425 B13R0.147 C=CCCCCSCCCC(=O)OC 62a_100011218270_100011215482 [0,2,0,0,0,0|0,0,2]=4 12426 B13R0.147 C=CCCCNCCCCC(=O)OC 2230a_100000700776_100000204269 [0,2,0,0,0,0|0,0,2]=4 12427 B13R0.147 C=CCCCNCCCCC(=O)OC 34a_100000700776_100000204269 [0,2,0,0,0,0|0,0,2]=4 12428 B13R0.147 C=CCCCOCCCCC(=O)OC 34a_100000059025_100000757094 [0,2,0,0,0,0|0,0,2]=4 12429 B13R0.147 C=CCCCOCCCCC(=O)OC 34a_100000758997_100000204269 [0,2,0,0,0,0|0,0,2]=4 12430 B13R0.147 C=CCCCOCCCCC(=O)OC 7a_100000059025_100000757094 [0,2,0,0,0,0|0,0,2]=4 12431 B13R0.147 C=CCCCOCCCCC(=O)OC 7a_100000758997_100000204269 [0,2,0,0,0,0|0,0,2]=4 12432 B13R0.147 C=CCCCSCCCCC(=O)OC 62a_100000204269_100000757094 [0,2,0,0,0,0|0,0,2]=4 12433 B13R0.147 C=CCCCSCCCCC(=O)OC 62a_100011713584_100000204269 [0,2,0,0,0,0|0,0,2]=4 12434 B13R0.147 C=CCCNCCCCCC(=O)OC 2230a_100015191253_100009816466 [0,2,0,0,0,0|0,0,2]=4 12435 B13R0.147 C=CCCOCCCCCC(=O)OC 34a_100000074720_100000754431 [0,2,0,0,0,0|0,0,2]=4 12436 B13R0.147 C=CCCOCCCCCC(=O)OC 34a_100011205117_100009816466 [0,2,0,0,0,0|0,0,2]=4 12437 B13R0.147 C=CCCOCCCCCC(=O)OC 7a_100000074720_100000754431 [0,2,0,0,0,0|0,0,2]=4 12438 B13R0.147 C=CCCSCCCCCC(=O)OC 62a_100000754431_100009816466 [0,2,0,0,0,0|0,0,2]=4 12439 B13R0.147 C=CCCSCCCCCC(=O)OC 62a_100009816466_100000754431 [0,2,0,0,0,0|0,0,2]=4 12440 B13R0.147 C=CCNCCCCCCC(=O)OC 2230a_100020586998_100009815986 [0,2,0,0,0,0|0,0,2]=4 12441 B13R0.147 C=CCOCCCCCCC(=O)OC 34a_100009863599_100015514636 [0,2,0,0,0,0|0,0,2]=4 12442 B13R0.147 C=CCOCCCCCCC(=O)OC 34a_200000210373_100009815986 [0,2,0,0,0,0|0,0,2]=4 12443 B13R0.147 C=CCOCCCCCCC(=O)OC 7a_100009863599_100015514636 [0,2,0,0,0,0|0,0,2]=4 12444 B13R0.147 C=CCSCCCCCCC(=O)OC 62a_100000210623_100009815986 [0,2,0,0,0,0|0,0,2]=4 12445 B13R0.147 C=CCSCCCCCCC(=O)OC 62a_100009815986_100000210623 [0,2,0,0,0,0|0,0,2]=4 12446 B13R0.147 CC#CCCCCCCCC(=O)CC 1458a_100000066323_100000210202 [0,2,0,0,0,0|1,0,1]=4 12447 B13R0.147 CC#CCCCCCCCC(=O)CF 1458a_100000066323_100015361967 [0,2,0,0,0,0|1,0,1]=4 12448 B13R0.147 CC#CCCCCCCCC(=O)NC 11a_106832991635_100000066323 [0,2,0,0,0,0|1,0,1]=4 12449 B13R0.147 CC#CCCCCCCCC(=O)NC 1626a_100102657272_100000066323 [0,2,0,0,0,0|1,0,1]=4 12450 B13R0.147 CC#CCCCCCCCC(=O)NC 240690a_100102657272_100000066323 [0,2,0,0,0,0|1,0,1]=4 12451 B13R0.147 CC#CCCCCCCCC(=O)NC 527a_100102657272_100000066323 [0,2,0,0,0,0|1,0,1]=4 12452 B13R0.147 CC#CCCOCCCCC(=O)OC 34a_100000750427_100000204269 [0,2,0,0,0,0|0,0,2]=4 12453 B13R0.147 CC#CCNCCCCCC(=O)OC 2230a_100000685387_100009816466 [0,2,0,0,0,0|0,0,2]=4 12454 B13R0.147 CC#CCNCCCCCC(=O)OC 34a_100000685387_100009816466 [0,2,0,0,0,0|0,0,2]=4 12455 B13R0.147 CC#CCOCCCCCC(=O)OC 34a_100000074720_100000748600 [0,2,0,0,0,0|0,0,2]=4 12456 B13R0.147 CC#CCOCCCCCC(=O)OC 34a_100000761923_100009816466 [0,2,0,0,0,0|0,0,2]=4 12457 B13R0.147 CC#CCOCCCCCC(=O)OC 7a_100000074720_100000748600 [0,2,0,0,0,0|0,0,2]=4 12458 B13R0.147 CC#CCSCCCCCC(=O)OC 62a_100000748600_100009816466 [0,2,0,0,0,0|0,0,2]=4 12459 B13R0.147 CC#CCSCCCCCC(=O)OC 62a_100009816466_100000748600 [0,2,0,0,0,0|0,0,2]=4 12460 B13R0.147 CC/C=C/CCCOCCC(=O)OC 34a_100016287902_100000742370 [0,2,0,0,0,0|0,0,2]=4 12461 B13R0.147 CC/C=C/CCCOCCC(=O)OC 7a_100016287902_100000204255 [0,2,0,0,0,0|0,0,2]=4 12462 B13R0.147 CC/C=C\CCCCOCC(=O)OC 34a_100016287862_100000747449 [0,2,0,0,0,0|0,0,2]=4 12463 B13R0.147 CC/C=C\CCCCOCC(=O)OC 7a_100016287862_100000747449 [0,2,0,0,0,0|0,0,2]=4 12464 B13R0.147 CC/C=C\CCOCCCC(=O)OC 34a_100016288707_100000742333 [0,2,0,0,0,0|0,0,2]=4 12465 B13R0.147 CC/C=C\CCOCCCC(=O)OC 7a_100016288707_100011218270 [0,2,0,0,0,0|0,0,2]=4 12466 B13R0.147 CC/C=C\CCSCCCC(=O)OC 62a_100011218270_100015370543 [0,2,0,0,0,0|0,0,2]=4 12467 B13R0.147 CC/C=C\CCSCCCC(=O)OC 62a_100015370543_100011218270 [0,2,0,0,0,0|0,0,2]=4 12468 B13R0.147 CC/C=C\COCCCCC(=O)OC 34a_100000059025_100103147603 [0,2,0,0,0,0|0,0,2]=4 12469 B13R0.147 CC/C=C\COCCCCC(=O)OC 34a_100016268518_100000204269 [0,2,0,0,0,0|0,0,2]=4 12470 B13R0.147 CC/C=C\COCCCCC(=O)OC 7a_100000059025_100103147603 [0,2,0,0,0,0|0,0,2]=4 12471 B13R0.147 CC/C=C\CSCCCCC(=O)OC 62a_100000204269_100103147603 [0,2,0,0,0,0|0,0,2]=4 12472 B13R0.147 CC/C=C\CSCCCCC(=O)OC 62a_100103147603_100000204269 [0,2,0,0,0,0|0,0,2]=4 12473 B13R0.147 CC=CCCCOCCCC(=O)OC 34a_100020645299_100000742333 [0,2,0,0,0,0|0,0,2]=4 12474 B13R0.147 CC=CCOCCCCCC(=O)OC 34a_100000074720_100000070051 [0,2,0,0,0,0|0,0,2]=4 12475 B13R0.147 CC=CCOCCCCCC(=O)OC 7a_100000074720_100000070051 [0,2,0,0,0,0|0,0,2]=4 12476 B13R0.147 CC=CCSCCCCCC(=O)OC 62a_100000070051_100009816466 [0,2,0,0,0,0|0,0,2]=4 12477 B13R0.147 CC=CCSCCCCCC(=O)OC 62a_100009816466_100000070051 [0,2,0,0,0,0|0,0,2]=4 12478 B13R0.147 CCC#CCCCCCCC(=O)CC 1458a_100000210414_200000036426 [0,2,0,0,0,0|1,0,1]=4 12479 B13R0.147 CCC#CCCCCCCC(=O)CO 1458a_100000210174_200000036426 [0,2,0,0,0,0|0,0,1]=3 12480 B13R0.147 CCC#CCCOCCCC(=O)OC 34a_100000036655_100000742333 [0,2,0,0,0,0|0,0,2]=4 12481 B13R0.147 CCC#CCCOCCCC(=O)OC 7a_100000036655_100011218270 [0,2,0,0,0,0|0,0,2]=4 12482 B13R0.147 CCC#CCOCCCCC(=O)OC 34a_100000032950_100000204269 [0,2,0,0,0,0|0,0,2]=4 12483 B13R0.147 CCC#CCOCCCCC(=O)OC 34a_100000059025_100009813939 [0,2,0,0,0,0|0,0,2]=4 12484 B13R0.147 CCC#CCOCCCCC(=O)OC 7a_100000059025_100009813939 [0,2,0,0,0,0|0,0,2]=4 12485 B13R0.147 CCC#CCSCCCCC(=O)OC 62a_100000204269_100009813939 [0,2,0,0,0,0|0,0,2]=4 12486 B13R0.147 CCC#CCSCCCCC(=O)OC 62a_100009813939_100000204269 [0,2,0,0,0,0|0,0,2]=4 12487 B13R0.147 CCC(=O)CCCCCCCCCF 1458a_200009909015_100000210202 [0,2,0,0,0,0|1,0,0]=3 12488 B13R0.147 CCC(=O)CCCCCCCCCO 1458a_100000210414_100009813782 [0,2,0,0,0,0|1,0,0]=3 12489 B13R0.147 CCC(=O)COCCCCCCCBr 7a_100000760002_100000747405 [0,2,0,0,0,0|2,0,0]=4 12490 B13R0.147 CCC(=O)COCCCCCCCO 34a_100000725409_100000760002 [0,2,0,0,0,0|2,0,0]=4 12491 B13R0.147 CCC(=O)COCCCCCCOC 34a_100000725409_100011998445 [0,2,0,0,0,0|2,0,0]=4 12492 B13R0.147 CCC(=O)COCCCCCCOC 7a_200012092642_100000747405 [0,2,0,0,0,0|2,0,0]=4 12493 B13R0.147 CCC(=O)CSCCCCCCCO 62a_100000747405_100000760002 [0,2,0,0,0,0|2,0,0]=4 12494 B13R0.147 CCC(=O)CSCCCCCCCO 62a_100000760002_100000747405 [0,2,0,0,0,0|2,0,0]=4 12495 B13R0.147 CCC(=O)CSCCCCCCOC 62a_100000747405_100011998445 [0,2,0,0,0,0|2,0,0]=4 12496 B13R0.147 CCC(=O)CSCCCCCCOC 62a_100011998445_100000747405 [0,2,0,0,0,0|2,0,0]=4 12497 B13R0.147 CCC(=O)NCCCCCCCCO 240690a_102515433106_100000210414 [0,2,0,0,0,0|2,0,0]=4 12498 B13R0.147 CCC/C=C/COCCCC(=O)OC 34a_100016278788_100000742333 [0,2,0,0,0,0|0,0,2]=4 12499 B13R0.147 CCC/C=C/COCCCC(=O)OC 7a_100016278788_100011218270 [0,2,0,0,0,0|0,0,2]=4 12500 B13R0.147 CCCC#CCCOCCC(=O)OC 34a_100000042726_100000742370 [0,2,0,0,0,0|0,0,2]=4 12501 B13R0.147 CCCC#CCCOCCC(=O)OC 7a_100000042726_100000204255 [0,2,0,0,0,0|0,0,2]=4 12502 B13R0.147 CCCC#CCOCCCC(=O)OC 34a_100000034806_100000742333 [0,2,0,0,0,0|0,0,2]=4 12503 B13R0.147 CCCC#CCOCCCC(=O)OC 7a_100000034806_100011218270 [0,2,0,0,0,0|0,0,2]=4 12504 B13R0.147 CCCC/C=C/COCCC(=O)OC 34a_200016272032_100000742370 [0,2,0,0,0,0|0,0,2]=4 12505 B13R0.147 CCCC/C=C/COCCC(=O)OC 7a_200016272032_100000204255 [0,2,0,0,0,0|0,0,2]=4 12506 B13R0.147 CCCC/C=C\CCOCC(=O)OC 34a_200016286491_100000747449 [0,2,0,0,0,0|0,0,2]=4 12507 B13R0.147 CCCC/C=C\CCOCC(=O)OC 7a_200016286491_100000747449 [0,2,0,0,0,0|0,0,2]=4 12508 B13R0.147 CCCCC#CCCOCC(=O)OC 34a_100000037610_100000747449 [0,2,0,0,0,0|0,0,2]=4 12509 B13R0.147 CCCCC#CCCOCC(=O)OC 7a_100000037610_100000747449 [0,2,0,0,0,0|0,0,2]=4 12510 B13R0.147 CCCCC#CCOCCC(=O)OC 34a_200000034558_100000742370 [0,2,0,0,0,0|0,0,2]=4 12511 B13R0.147 CCCCC#CCOCCC(=O)OC 7a_200000034558_100000204255 [0,2,0,0,0,0|0,0,2]=4 12512 B13R0.147 CCCCC/C=C/COCC(=O)OC 34a_100016258190_100000747449 [0,2,0,0,0,0|0,0,2]=4 12513 B13R0.147 CCCCC/C=C/COCC(=O)OC 7a_100016258190_100000747449 [0,2,0,0,0,0|0,0,2]=4 12514 B13R0.147 CCCCCC#CCOCC(=O)OC 34a_200000033628_100000747449 [0,2,0,0,0,0|0,0,2]=4 12515 B13R0.147 CCCCCC#CCOCC(=O)OC 7a_200000033628_100000747449 [0,2,0,0,0,0|0,0,2]=4 12516 B13R0.147 CCCCCC#CCSCC(=O)OC 62a_100000747449_100009816472 [0,2,0,0,0,0|0,0,2]=4 12517 B13R0.147 CCCCCC#CCSCC(=O)OC 62a_100009816472_100000747449 [0,2,0,0,0,0|0,0,2]=4 12518 B13R0.147 CCCCCCCCC=CC(=O)CC 1458a_100015345288_100000210202 [0,2,0,0,0,0|1,0,1]=4 12519 B13R0.147 CCCCCCCCC=CC(=O)CF 1458a_100015345288_100015361967 [0,2,0,0,0,0|1,0,1]=4 12520 B13R0.147 CCCCCCCCC=CC(=O)NC 11a_106832991635_100015345288 [0,2,0,0,0,0|1,0,1]=4 12521 B13R0.147 CCCCCCCCC=CC(=O)NC 1626a_100102657272_100015345288 [0,2,0,0,0,0|1,0,1]=4 12522 B13R0.147 CCCCCCCCC=CC(=O)NC 240690a_100102657272_100015345288 [0,2,0,0,0,0|1,0,1]=4 12523 B13R0.147 CCCCCCCCCCC(=O)CC 1458a_100000210375_100000210202 [0,2,0,0,0,0|1,0,0]=3 12524 B13R0.147 CCCCCCCCCCC(=O)CC 1458a_100000210414_100000210319 [0,2,0,0,0,0|1,0,0]=3 12525 B13R0.147 CCCCCCCCCCC(=O)CF 1458a_100000210375_100015361967 [0,2,0,0,0,0|1,0,0]=3 12526 B13R0.147 CCCCCCCCCCC(=O)CO 1458a_100000210174_100000210319 [0,2,0,0,0,0|0,0,0]=2 12527 B13R0.147 CCCCCCCCCCC(=O)NC 11a_106832991635_100000210375 [0,2,0,0,0,0|1,0,0]=3 12528 B13R0.147 CCCCCCCCCCC(=O)NC 1626a_100102657272_100000210375 [0,2,0,0,0,0|1,0,0]=3 12529 B13R0.147 CCCCCCCCCCC(=O)NC 240690a_100102657272_100000210375 [0,2,0,0,0,0|1,0,0]=3 12530 B13R0.147 CCCCCCCCCCC(C)OC 34a_100011215000_200000210301 [0,2,0,0,0,0|1,0,1]=4 12531 B13R0.147 CCCCCCCCCCC(C)OC 7a_100011215000_200000210301 [0,2,0,0,0,0|1,0,1]=4 12532 B13R0.147 CCCCCCCCCCC(C)O[13CH3] 34a_100011215000_200025704644 [0,2,0,0,0,0|1,0,1]=4 12533 B13R0.147 CCCCCCCCCCC(C)O[13CH3] 7a_100011215000_200025704644 [0,2,0,0,0,0|1,0,1]=4 12534 B13R0.147 CCCCCCCCCNC(=O)CC 11a_100000212291_100000210414 [0,2,0,0,0,0|1,0,0]=3 12535 B13R0.147 CCCCCCCCCNC(=O)CC 1626a_100000212291_100000210414 [0,2,0,0,0,0|1,0,0]=3 12536 B13R0.147 CCCCCCCCCNC(=O)CC 240690a_100000212291_100000210414 [0,2,0,0,0,0|1,0,0]=3 12537 B13R0.147 CCCCCCCCCNC(=O)CC 527a_100000212291_100000210414 [0,2,0,0,0,0|1,0,0]=3 12538 B13R0.147 CCCCCCCCCNC(=O)CO 240690a_100000212291_100000210174 [0,2,0,0,0,0|0,0,0]=2 12539 B13R0.147 CCCCCCCCCNC(=O)CO 527a_100000212291_100000210174 [0,2,0,0,0,0|0,0,0]=2 12540 B13R0.147 CCCCCCCCCNC(=O)NC 2708a_100000212291_106832991635 [0,2,0,0,0,0|1,0,0]=3 12541 B13R0.147 CCCCCCCCCNC(=O)NC 2708a_100102657272_100000212291 [0,2,0,0,0,0|1,0,0]=3 12542 B13R0.147 CCCCCCCCCNC(=O)NC 273464a_100000212291_100102657272 [0,2,0,0,0,0|1,0,0]=3 12543 B13R0.147 CCCCCCCCCNC(=O)NC 273464a_100102657272_100000212291 [0,2,0,0,0,0|1,0,0]=3 12544 B13R0.147 CCCCCCCCCNC(=O)NC 512a_100000212291_100102657272 [0,2,0,0,0,0|1,0,0]=3 12545 B13R0.147 CCCCCCCCCNC(=O)NC 512a_106832991638_100000212291 [0,2,0,0,0,0|1,0,0]=3 12546 B13R0.147 CCCCCCCCCNC(C)CO 2230a_100000212291_100012180447 [0,2,0,0,0,0|1,0,1]=4 12547 B13R0.147 CCCCCCCCCNC(C)CO 34a_100000212291_100012180447 [0,2,0,0,0,0|1,0,1]=4 12548 B13R0.147 CCCCCCCCCN[C@H](C)CO 2230a_100000737577_100011214924 [0,2,0,0,0,0|1,0,1]=4 12549 B13R0.147 CCCCCCCCCOC(C)CO 34a_100000210712_100012180447 [0,2,0,0,0,0|1,0,1]=4 12550 B13R0.147 CCCCCCCCCOC(C)CO 7a_100000210712_100012180447 [0,2,0,0,0,0|1,0,1]=4 12551 B13R0.147 CCCCCCCCCSC(C)CO 62a_100012180447_100000210670 [0,2,0,0,0,0|1,0,1]=4 12552 B13R0.147 CCCCCCCCCSC(C)OC 62a_100009879195_100000210670 [0,2,0,0,0,0|1,0,1]=4 12553 B13R0.147 CCCCCCCCCS[C@H](C)CO 62a_100016084084_100000210670 [0,2,0,0,0,0|1,0,1]=4 12554 B13R0.147 CCCCCCCCNCC(=O)NC 2230a_100000229939_100000183359 [0,2,0,0,0,0|1,0,0]=3 12555 B13R0.147 CCCCCCCCNCC(=O)NC 2230a_100000693194_100000210759 [0,2,0,0,0,0|1,0,0]=3 12556 B13R0.147 CCCCCCCCNCC(=O)NC 34a_100000229939_100000183359 [0,2,0,0,0,0|1,0,0]=3 12557 B13R0.147 CCCCCCCCNCC(=O)OC 2230a_100000229939_100000747449 [0,2,0,0,0,0|0,0,0]=2 12558 B13R0.147 CCCCCCCCNCC(=O)OC 34a_100000229939_100000747449 [0,2,0,0,0,0|0,0,0]=2 12559 B13R0.147 CCCCCCCCNCC(C)CO 34a_100000744482_100000210759 [0,2,0,0,0,0|1,0,1]=4 12560 B13R0.147 CCCCCCCCNCC(O)CC 2230a_100000229939_100011218378 [0,2,0,0,0,0|1,0,1]=4 12561 B13R0.147 CCCCCCCCNCC(O)CC 2230a_100011218483_100000210759 [0,2,0,0,0,0|1,0,1]=4 12562 B13R0.147 CCCCCCCCNCC(O)CC 34a_100000229939_100011218378 [0,2,0,0,0,0|1,0,1]=4 12563 B13R0.147 CCCCCCCCNCC(O)CO 2230a_100000229939_100011219619 [0,2,0,0,0,0|0,0,2]=4 12564 B13R0.147 CCCCCCCCNCC(O)CO 34a_100000229939_100011219619 [0,2,0,0,0,0|0,0,2]=4 12565 B13R0.147 CCCCCCCCNC[C@@H](C)CO 2230a_100000229939_100000059175 [0,2,0,0,0,0|1,0,1]=4 12566 B13R0.147 CCCCCCCCNC[C@@H](C)CO 34a_100000229939_100000059175 [0,2,0,0,0,0|1,0,1]=4 12567 B13R0.147 CCCCCCCCNC[C@@H](C)OC 2230a_100020591295_100000210759 [0,2,0,0,0,0|1,0,1]=4 12568 B13R0.147 CCCCCCCCNC[C@@H](F)CO 34a_100015665980_100000210759 [0,2,0,0,0,0|1,0,1]=4 12569 B13R0.147 CCCCCCCCNC[C@@H](O)CF 2230a_100000229939_100015614560 [0,2,0,0,0,0|1,0,1]=4 12570 B13R0.147 CCCCCCCCNC[C@@H](O)CF 34a_100000229939_100015614560 [0,2,0,0,0,0|1,0,1]=4 12571 B13R0.147 CCCCCCCCNC[C@@H](O)CO 2230a_100000229939_100009815848 [0,2,0,0,0,0|0,0,2]=4 12572 B13R0.147 CCCCCCCCNC[C@@H](O)CO 34a_100000229939_100009815848 [0,2,0,0,0,0|0,0,2]=4 12573 B13R0.147 CCCCCCCCNC[C@H](O)CO 2230a_100020644852_100000210759 [0,2,0,0,0,0|0,0,2]=4 12574 B13R0.147 CCCCCCCCOCC(=O)CC 1458a_100000759886_100000210202 [0,2,0,0,0,0|1,0,0]=3 12575 B13R0.147 CCCCCCCCOCC(=O)CC 34a_100000725409_100000210759 [0,2,0,0,0,0|1,0,0]=3 12576 B13R0.147 CCCCCCCCOCC(=O)CC 7a_100000210232_100000747405 [0,2,0,0,0,0|1,0,0]=3 12577 B13R0.147 CCCCCCCCOCC(=O)CF 1458a_100000759886_100015361967 [0,2,0,0,0,0|1,0,0]=3 12578 B13R0.147 CCCCCCCCOCC(=O)NC 11a_106832991635_100000759886 [0,2,0,0,0,0|1,0,0]=3 12579 B13R0.147 CCCCCCCCOCC(=O)NC 1626a_100102657272_100000759886 [0,2,0,0,0,0|1,0,0]=3 12580 B13R0.147 CCCCCCCCOCC(=O)NC 240690a_100102657272_100000759886 [0,2,0,0,0,0|1,0,0]=3 12581 B13R0.147 CCCCCCCCOCC(=O)NC 34a_100000210232_100000183359 [0,2,0,0,0,0|1,0,0]=3 12582 B13R0.147 CCCCCCCCOCC(=O)NC 34a_100000750040_100000210759 [0,2,0,0,0,0|1,0,0]=3 12583 B13R0.147 CCCCCCCCOCC(=O)NC 527a_100102657272_100000759886 [0,2,0,0,0,0|1,0,0]=3 12584 B13R0.147 CCCCCCCCOCC(=O)NC 7a_100000210232_100000183359 [0,2,0,0,0,0|1,0,0]=3 12585 B13R0.147 CCCCCCCCOCC(=O)OC 34a_100000210232_100000747449 [0,2,0,0,0,0|0,0,0]=2 12586 B13R0.147 CCCCCCCCOCC(=O)OC 7a_100000210232_100000747449 [0,2,0,0,0,0|0,0,0]=2 12587 B13R0.147 CCCCCCCCOCC(C)OC 34a_100000690652_100000210759 [0,2,0,0,0,0|1,0,1]=4 12588 B13R0.147 CCCCCCCCOCC(O)CC 34a_100000210232_100011218378 [0,2,0,0,0,0|1,0,1]=4 12589 B13R0.147 CCCCCCCCOCC(O)CC 7a_100000210232_100011218378 [0,2,0,0,0,0|1,0,1]=4 12590 B13R0.147 CCCCCCCCOCC(O)CO 34a_100000210232_100011219619 [0,2,0,0,0,0|0,0,2]=4 12591 B13R0.147 CCCCCCCCOCC(O)CO 7a_100000210232_100011219619 [0,2,0,0,0,0|0,0,2]=4 12592 B13R0.147 CCCCCCCCOC[C@@H](C)CO 34a_100000210232_100000059175 [0,2,0,0,0,0|1,0,1]=4 12593 B13R0.147 CCCCCCCCOC[C@@H](C)CO 7a_100000210232_100000059175 [0,2,0,0,0,0|1,0,1]=4 12594 B13R0.147 CCCCCCCCOC[C@@H](O)CF 34a_100000210232_100015614560 [0,2,0,0,0,0|1,0,1]=4 12595 B13R0.147 CCCCCCCCOC[C@@H](O)CF 7a_100000210232_100015614560 [0,2,0,0,0,0|1,0,1]=4 12596 B13R0.147 CCCCCCCCOC[C@@H](O)CO 34a_100000210232_100009815848 [0,2,0,0,0,0|0,0,2]=4 12597 B13R0.147 CCCCCCCCOC[C@@H](O)CO 7a_100000210232_100009815848 [0,2,0,0,0,0|0,0,2]=4 12598 B13R0.147 CCCCCCCCSCC(=O)CC 62a_100000210759_100000747405 [0,2,0,0,0,0|1,0,0]=3 12599 B13R0.147 CCCCCCCCSCC(=O)CC 62a_100000747405_100000210317 [0,2,0,0,0,0|1,0,0]=3 12600 B13R0.147 CCCCCCCCSCC(=O)NC 62a_100000183359_100000210317 [0,2,0,0,0,0|1,0,0]=3 12601 B13R0.147 CCCCCCCCSCC(=O)NC 62a_100000210759_100000183359 [0,2,0,0,0,0|1,0,0]=3 12602 B13R0.147 CCCCCCCCSCC(=O)OC 62a_100000210759_100000747449 [0,2,0,0,0,0|0,0,0]=2 12603 B13R0.147 CCCCCCCCSCC(=O)OC 62a_100000747449_100000210317 [0,2,0,0,0,0|0,0,0]=2 12604 B13R0.147 CCCCCCCCSCC(O)CC 62a_100000210759_100011218378 [0,2,0,0,0,0|1,0,1]=4 12605 B13R0.147 CCCCCCCCSCC(O)CC 62a_100011218378_100000210317 [0,2,0,0,0,0|1,0,1]=4 12606 B13R0.147 CCCCCCCCSCC(O)CO 62a_100000210759_100011219619 [0,2,0,0,0,0|0,0,2]=4 12607 B13R0.147 CCCCCCCCSCC(O)CO 62a_100011219619_100000210317 [0,2,0,0,0,0|0,0,2]=4 12608 B13R0.147 CCCCCCCCSC[C@@H](C)CO 62a_100000059175_100000210317 [0,2,0,0,0,0|1,0,1]=4 12609 B13R0.147 CCCCCCCCSC[C@@H](C)CO 62a_100000210759_100000059175 [0,2,0,0,0,0|1,0,1]=4 12610 B13R0.147 CCCCCCCCSC[C@@H](O)CF 62a_100000210759_100015614560 [0,2,0,0,0,0|1,0,1]=4 12611 B13R0.147 CCCCCCCCSC[C@@H](O)CF 62a_100015614560_100000210317 [0,2,0,0,0,0|1,0,1]=4 12612 B13R0.147 CCCCCCCCSC[C@@H](O)CO 62a_100000210759_100009815848 [0,2,0,0,0,0|0,0,2]=4 12613 B13R0.147 CCCCCCCCSC[C@@H](O)CO 62a_100009815848_100000210317 [0,2,0,0,0,0|0,0,2]=4 12614 B13R0.147 CCCCCCCNCCC(=O)NC 2230a_100000229938_100000737683 [0,2,0,0,0,0|1,0,0]=3 12615 B13R0.147 CCCCCCCNCCC(=O)NC 2230a_100000738227_100000210681 [0,2,0,0,0,0|1,0,0]=3 12616 B13R0.147 CCCCCCCNCCC(=O)NC 34a_100000738227_100000210614 [0,2,0,0,0,0|1,0,0]=3 12617 B13R0.147 CCCCCCCNCCC(=O)OC 2230a_100000229938_100000204255 [0,2,0,0,0,0|0,0,0]=2 12618 B13R0.147 CCCCCCCNCCC(C)CO 2230a_106354213184_100000210681 [0,2,0,0,0,0|1,0,1]=4 12619 B13R0.147 CCCCCCCNCCC(C)CO 34a_106354213184_100000210614 [0,2,0,0,0,0|1,0,1]=4 12620 B13R0.147 CCCCCCCOCCC(=NO)N 34a_100000749954_100000210614 [0,2,0,0,0,0|1,0,0]=3 12621 B13R0.147 CCCCCCCOCCC(=O)NC 34a_100000210272_100012179268 [0,2,0,0,0,0|1,0,0]=3 12622 B13R0.147 CCCCCCCOCCC(=O)NC 34a_100000754576_100000210614 [0,2,0,0,0,0|1,0,0]=3 12623 B13R0.147 CCCCCCCOCCC(=O)NC 7a_100000210272_100000737683 [0,2,0,0,0,0|1,0,0]=3 12624 B13R0.147 CCCCCCCOCCC(=O)OC 34a_100000210272_100000742370 [0,2,0,0,0,0|0,0,0]=2 12625 B13R0.147 CCCCCCCOCCC(=O)OC 7a_100000210272_100000204255 [0,2,0,0,0,0|0,0,0]=2 12626 B13R0.147 CCCCCCCOCCC(C)OC 7a_100000764861_100000210614 [0,2,0,0,0,0|1,0,1]=4 12627 B13R0.147 CCCCCCCSCCC(=O)NC 62a_100000210614_100000737683 [0,2,0,0,0,0|1,0,0]=3 12628 B13R0.147 CCCCCCCSCCC(=O)NC 62a_100000737683_100000210316 [0,2,0,0,0,0|1,0,0]=3 12629 B13R0.147 CCCCCCCSCCC(=O)OC 62a_100000204255_100000210316 [0,2,0,0,0,0|0,0,0]=2 12630 B13R0.147 CCCCCCCSCCC(=O)OC 62a_100000210614_100000204255 [0,2,0,0,0,0|0,0,0]=2 12631 B13R0.147 CCCCCCCSCOC(=O)OC 62a_100000210614_100000139417 [0,2,0,0,0,0|1,0,0]=3 12632 B13R0.147 CCCCCCNC/C=C/C(=O)OC 2230a_100000210581_100000742655 [0,2,0,0,0,0|0,0,2]=4 12633 B13R0.147 CCCCCCNCCCC(=O)NC 2230a_100000210581_100000741757 [0,2,0,0,0,0|1,0,0]=3 12634 B13R0.147 CCCCCCNCCCC(=O)NC 2230a_100000740002_100000210314 [0,2,0,0,0,0|1,0,0]=3 12635 B13R0.147 CCCCCCNCCCC(=O)NC 34a_100000740002_100000210314 [0,2,0,0,0,0|1,0,0]=3 12636 B13R0.147 CCCCCCNCCCC(=O)OC 2230a_100000210581_100011218270 [0,2,0,0,0,0|0,0,0]=2 12637 B13R0.147 CCCCCCNCCNC(=O)CC 34a_100132302217_100000210314 [0,2,0,0,0,0|2,0,0]=4 12638 B13R0.147 CCCCCCNCCNC(=O)NC 34a_100015205895_100000210314 [0,2,0,0,0,0|2,0,0]=4 12639 B13R0.147 CCCCCCOC/C=C/C(=O)OC 34a_100000210259_100000742655 [0,2,0,0,0,0|0,0,2]=4 12640 B13R0.147 CCCCCCOC/C=C/C(=O)OC 7a_100000210259_100000742655 [0,2,0,0,0,0|0,0,2]=4 12641 B13R0.147 CCCCCCOCCCC(=O)NC 34a_100000210259_100000741757 [0,2,0,0,0,0|1,0,0]=3 12642 B13R0.147 CCCCCCOCCCC(=O)NC 7a_100000210259_100000741757 [0,2,0,0,0,0|1,0,0]=3 12643 B13R0.147 CCCCCCOCCCC(=O)NN 34a_100000211488_100000210314 [0,2,0,0,0,0|1,0,0]=3 12644 B13R0.147 CCCCCCOCCCC(=O)OC 34a_100000210259_100000742333 [0,2,0,0,0,0|0,0,0]=2 12645 B13R0.147 CCCCCCOCCCC(=O)OC 7a_100000210259_100011218270 [0,2,0,0,0,0|0,0,0]=2 12646 B13R0.147 CCCCCCOCCNC(=O)CC 34a_200000158885_100000210314 [0,2,0,0,0,0|2,0,0]=4 12647 B13R0.147 CCCCCCOCCNC(=O)CC 7a_200000158885_100000210314 [0,2,0,0,0,0|2,0,0]=4 12648 B13R0.147 CCCCCCOCCNC(=O)OC 34a_100000757965_100000210314 [0,2,0,0,0,0|1,0,0]=3 12649 B13R0.147 CCCCCCOCCOC(=O)CC 7a_200000031056_100000210314 [0,2,0,0,0,0|2,0,0]=4 12650 B13R0.147 CCCCCCOCCOC(=O)NC 34a_100000210259_200011997002 [0,2,0,0,0,0|2,0,0]=4 12651 B13R0.147 CCCCCCOCCOC(=O)NC 7a_100000210259_200011997002 [0,2,0,0,0,0|2,0,0]=4 12652 B13R0.147 CCCCCCOCCOC(=O)OC 34a_100010262106_100000210314 [0,2,0,0,0,0|1,0,0]=3 12653 B13R0.147 CCCCCCSC/C=C/C(=O)OC 62a_100000210314_100000742655 [0,2,0,0,0,0|0,0,2]=4 12654 B13R0.147 CCCCCCSC/C=C/C(=O)OC 62a_100000742655_100000210757 [0,2,0,0,0,0|0,0,2]=4 12655 B13R0.147 CCCCCCSCCCC(=O)NC 62a_100000210314_100000741757 [0,2,0,0,0,0|1,0,0]=3 12656 B13R0.147 CCCCCCSCCCC(=O)NC 62a_100000741757_100000210757 [0,2,0,0,0,0|1,0,0]=3 12657 B13R0.147 CCCCCCSCCCC(=O)OC 62a_100000210314_100011218270 [0,2,0,0,0,0|0,0,0]=2 12658 B13R0.147 CCCCCCSCCCC(=O)OC 62a_100011218270_100000210757 [0,2,0,0,0,0|0,0,0]=2 12659 B13R0.147 CCCCCCSCCOC(=O)NC 62a_100000210314_200011997002 [0,2,0,0,0,0|2,0,0]=4 12660 B13R0.147 CCCCCCSCCOC(=O)NC 62a_200011997002_100000210757 [0,2,0,0,0,0|2,0,0]=4 12661 B13R0.147 CCCCCNCCCCC(=O)OC 2230a_100000209983_100000204269 [0,2,0,0,0,0|0,0,0]=2 12662 B13R0.147 CCCCCNCCOCC(=O)NC 34a_100000224656_100000183359 [0,2,0,0,0,0|2,0,0]=4 12663 B13R0.147 CCCCCNCCOCC(=O)OC 2230a_100000209983_100000090808 [0,2,0,0,0,0|1,0,0]=3 12664 B13R0.147 CCCCCNCCOCC(=O)OC 34a_100000224656_100000747449 [0,2,0,0,0,0|1,0,0]=3 12665 B13R0.147 CCCCCNN=CCCC(=O)OC 4a_100000694160_100012047195 [0,2,0,0,0,0|1,0,1]=4 12666 B13R0.147 CCCCCOCCCCC(=O)OC 34a_100000059025_100000718602 [0,2,0,0,0,0|0,0,0]=2 12667 B13R0.147 CCCCCOCCCCC(=O)OC 34a_100000210253_100000204269 [0,2,0,0,0,0|0,0,0]=2 12668 B13R0.147 CCCCCOCCCCC(=O)OC 7a_100000059025_100000210326 [0,2,0,0,0,0|0,0,0]=2 12669 B13R0.147 CCCCCOCCCCC(=O)OC 7a_100000210253_100000204269 [0,2,0,0,0,0|0,0,0]=2 12670 B13R0.147 CCCCCOCCOCC(=O)CC 7a_100011215259_100000747405 [0,2,0,0,0,0|2,0,0]=4 12671 B13R0.147 CCCCCOCCOCC(=O)NC 34a_100011215259_100000183359 [0,2,0,0,0,0|2,0,0]=4 12672 B13R0.147 CCCCCOCCOCC(=O)NC 7a_100011215259_100000183359 [0,2,0,0,0,0|2,0,0]=4 12673 B13R0.147 CCCCCOCCOCC(=O)OC 34a_100000210253_100000090808 [0,2,0,0,0,0|1,0,0]=3 12674 B13R0.147 CCCCCOCCOCC(=O)OC 34a_100011215259_100000747449 [0,2,0,0,0,0|1,0,0]=3 12675 B13R0.147 CCCCCOCCOCC(=O)OC 7a_100000210253_100000090808 [0,2,0,0,0,0|1,0,0]=3 12676 B13R0.147 CCCCCOCCOCC(=O)OC 7a_100011215259_100000747449 [0,2,0,0,0,0|1,0,0]=3 12677 B13R0.147 CCCCCSCCCCC(=O)OC 62a_100000204269_100000210326 [0,2,0,0,0,0|0,0,0]=2 12678 B13R0.147 CCCCCSCCCCC(=O)OC 62a_100000210326_100000204269 [0,2,0,0,0,0|0,0,0]=2 12679 B13R0.147 CCCCCSCCOCC(=O)OC 62a_100000090808_100000210326 [0,2,0,0,0,0|1,0,0]=3 12680 B13R0.147 CCCCCSCCOCC(=O)OC 62a_100000210326_100000090808 [0,2,0,0,0,0|1,0,0]=3 12681 B13R0.147 CCCCNCCCCCC(=O)OC 2230a_100000102301_100009816466 [0,2,0,0,0,0|0,0,0]=2 12682 B13R0.147 CCCCNCCCCCC(=O)OC 7a_106832991798_100009816466 [0,2,0,0,0,0|0,0,0]=2 12683 B13R0.147 CCCCNN=CCCCC(=O)OC 4a_100025702795_100000094087 [0,2,0,0,0,0|1,0,1]=4 12684 B13R0.147 CCCCOCCCCCC(=O)OC 34a_100000074720_100000210210 [0,2,0,0,0,0|0,0,0]=2 12685 B13R0.147 CCCCOCCCCCC(=O)OC 34a_100000210227_100009816466 [0,2,0,0,0,0|0,0,0]=2 12686 B13R0.147 CCCCOCCCCCC(=O)OC 7a_100000074720_100000210211 [0,2,0,0,0,0|0,0,0]=2 12687 B13R0.147 CCCCOCCCCCC(=O)OC 7a_100000210227_100009816466 [0,2,0,0,0,0|0,0,0]=2 12688 B13R0.147 CCCCOCCCNCC(=O)NC 2230a_200000211371_100000183359 [0,2,0,0,0,0|2,0,0]=4 12689 B13R0.147 CCCCOCCCNCC(=O)NC 34a_200000211371_100000183359 [0,2,0,0,0,0|2,0,0]=4 12690 B13R0.147 CCCCOCCCNCC(=O)OC 2230a_200000211371_100000747449 [0,2,0,0,0,0|1,0,0]=3 12691 B13R0.147 CCCCOCCCNCC(=O)OC 34a_200000211371_100000747449 [0,2,0,0,0,0|1,0,0]=3 12692 B13R0.147 CCCCOCCCOCC(=O)CC 7a_200011215613_100000747405 [0,2,0,0,0,0|2,0,0]=4 12693 B13R0.147 CCCCOCCCOCC(=O)NC 34a_200011215613_100000183359 [0,2,0,0,0,0|2,0,0]=4 12694 B13R0.147 CCCCOCCCOCC(=O)NC 7a_200011215613_100000183359 [0,2,0,0,0,0|2,0,0]=4 12695 B13R0.147 CCCCOCCCOCC(=O)OC 34a_200011215613_100000747449 [0,2,0,0,0,0|1,0,0]=3 12696 B13R0.147 CCCCOCCCOCC(=O)OC 7a_200011215613_100000747449 [0,2,0,0,0,0|1,0,0]=3 12697 B13R0.147 CCCCOCCNCCC(=O)NC 2230a_100000738227_100000743108 [0,2,0,0,0,0|2,0,0]=4 12698 B13R0.147 CCCCOCCNCCC(=O)NC 34a_100000738227_100000743108 [0,2,0,0,0,0|2,0,0]=4 12699 B13R0.147 CCCCOCCOCCC(=NO)N 34a_100000749954_100000743108 [0,2,0,0,0,0|2,0,0]=4 12700 B13R0.147 CCCCOCCOCCC(=O)NC 34a_100000210238_100012179268 [0,2,0,0,0,0|2,0,0]=4 12701 B13R0.147 CCCCOCCOCCC(=O)NC 34a_100000754576_100000743108 [0,2,0,0,0,0|2,0,0]=4 12702 B13R0.147 CCCCOCCOCCC(=O)NC 7a_100000210238_100000737683 [0,2,0,0,0,0|2,0,0]=4 12703 B13R0.147 CCCCOCCOCCC(=O)OC 34a_100000210238_100000742370 [0,2,0,0,0,0|1,0,0]=3 12704 B13R0.147 CCCCOCCOCCC(=O)OC 7a_100000210238_100000204255 [0,2,0,0,0,0|1,0,0]=3 12705 B13R0.147 CCCCOCCSCCC(=O)NC 62a_100000737683_100000743108 [0,2,0,0,0,0|2,0,0]=4 12706 B13R0.147 CCCCOCCSCCC(=O)NC 62a_100000743108_100000737683 [0,2,0,0,0,0|2,0,0]=4 12707 B13R0.147 CCCCOCCSCCC(=O)OC 62a_100000204255_100000743108 [0,2,0,0,0,0|1,0,0]=3 12708 B13R0.147 CCCCOCCSCCC(=O)OC 62a_100000743108_100000204255 [0,2,0,0,0,0|1,0,0]=3 12709 B13R0.147 CCCCOCCSCOC(=O)OC 62a_100000743108_100000139417 [0,2,0,0,0,0|2,0,0]=4 12710 B13R0.147 CCCCOCNCCCC(=O)NC 2230a_100000740002_100011995733 [0,2,0,0,0,0|2,0,0]=4 12711 B13R0.147 CCCCOCNCCCC(=O)NC 34a_100000740002_100011995733 [0,2,0,0,0,0|2,0,0]=4 12712 B13R0.147 CCCCOCOCCCC(=O)NN 34a_100000211488_100011995733 [0,2,0,0,0,0|2,0,0]=4 12713 B13R0.147 CCCCOCOCCNC(=O)OC 34a_100000757965_100011995733 [0,2,0,0,0,0|2,0,0]=4 12714 B13R0.147 CCCCOCOCCOC(=O)OC 34a_100010262106_100011995733 [0,2,0,0,0,0|2,0,0]=4 12715 B13R0.147 CCCCOCSCCCC(=O)NC 62a_100000741757_100011995733 [0,2,0,0,0,0|2,0,0]=4 12716 B13R0.147 CCCCOCSCCCC(=O)NC 62a_100011995733_100000741757 [0,2,0,0,0,0|2,0,0]=4 12717 B13R0.147 CCCCOCSCCCC(=O)OC 62a_100011218270_100011995733 [0,2,0,0,0,0|1,0,0]=3 12718 B13R0.147 CCCCOCSCCCC(=O)OC 62a_100011995733_100011218270 [0,2,0,0,0,0|1,0,0]=3 12719 B13R0.147 CCCCSCCCCCC(=O)OC 62a_100000210211_100009816466 [0,2,0,0,0,0|0,0,0]=2 12720 B13R0.147 CCCCSCCCCCC(=O)OC 62a_100009816466_100000210210 [0,2,0,0,0,0|0,0,0]=2 12721 B13R0.147 CCCCSCCNCCC(=O)NC 2230a_100025743550_100000737683 [0,2,0,0,0,0|2,0,0]=4 12722 B13R0.147 CCCCSCCNCCC(=O)OC 2230a_100025743550_100000204255 [0,2,0,0,0,0|1,0,0]=3 12723 B13R0.147 CCCCSCCOCCC(=O)NC 34a_200000230436_100012179268 [0,2,0,0,0,0|2,0,0]=4 12724 B13R0.147 CCCCSCCOCCC(=O)NC 7a_200000230436_100000737683 [0,2,0,0,0,0|2,0,0]=4 12725 B13R0.147 CCCCSCCOCCC(=O)OC 34a_200000230436_100000742370 [0,2,0,0,0,0|1,0,0]=3 12726 B13R0.147 CCCCSCCOCCC(=O)OC 7a_200000230436_100000204255 [0,2,0,0,0,0|1,0,0]=3 12727 B13R0.147 CCCNN=CCCCCC(=O)OC 4a_100000740057_100000052768 [0,2,0,0,0,0|1,0,1]=4 12728 B13R0.147 CCCOCCCCCCC(=O)OC 34a_100000210258_100009815986 [0,2,0,0,0,0|0,0,0]=2 12729 B13R0.147 CCCOCCCCCCC(=O)OC 34a_100009863599_100000210303 [0,2,0,0,0,0|0,0,0]=2 12730 B13R0.147 CCCOCCCCCCC(=O)OC 7a_100009863599_100000210303 [0,2,0,0,0,0|0,0,0]=2 12731 B13R0.147 CCCOCCCNCCC(=O)NC 2230a_100011217757_100000737683 [0,2,0,0,0,0|2,0,0]=4 12732 B13R0.147 CCCOCCCNCCC(=O)NC 34a_100011217757_100012179268 [0,2,0,0,0,0|2,0,0]=4 12733 B13R0.147 CCCOCCCNCCC(=O)OC 2230a_100011217757_100000204255 [0,2,0,0,0,0|1,0,0]=3 12734 B13R0.147 CCCOCCCNCCC(=O)OC 34a_100011217757_100000742370 [0,2,0,0,0,0|1,0,0]=3 12735 B13R0.147 CCCOCCNCCCC(=O)NC 2230a_100000740002_100011215938 [0,2,0,0,0,0|2,0,0]=4 12736 B13R0.147 CCCOCCNCCCC(=O)NC 2230a_100161115042_100000741757 [0,2,0,0,0,0|2,0,0]=4 12737 B13R0.147 CCCOCCNCCCC(=O)NC 34a_100000740002_100011215938 [0,2,0,0,0,0|2,0,0]=4 12738 B13R0.147 CCCOCCNCCCC(=O)NC 34a_100161115042_100000741757 [0,2,0,0,0,0|2,0,0]=4 12739 B13R0.147 CCCOCCNCCCC(=O)OC 2230a_100161115042_100011218270 [0,2,0,0,0,0|1,0,0]=3 12740 B13R0.147 CCCOCCNCCCC(=O)OC 34a_100161115042_100000742333 [0,2,0,0,0,0|1,0,0]=3 12741 B13R0.147 CCCOCCOCCCC(=O)NC 34a_100000752267_100000741757 [0,2,0,0,0,0|2,0,0]=4 12742 B13R0.147 CCCOCCOCCCC(=O)NC 7a_100000752267_100000741757 [0,2,0,0,0,0|2,0,0]=4 12743 B13R0.147 CCCOCCOCCCC(=O)NN 34a_100000211488_100011215938 [0,2,0,0,0,0|2,0,0]=4 12744 B13R0.147 CCCOCCOCCCC(=O)OC 34a_100000752267_100000742333 [0,2,0,0,0,0|1,0,0]=3 12745 B13R0.147 CCCOCCOCCCC(=O)OC 7a_100000752267_100011218270 [0,2,0,0,0,0|1,0,0]=3 12746 B13R0.147 CCCOCCOCCNC(=O)CO 240690a_200011904461_100000210174 [0,2,0,0,0,0|2,0,0]=4 12747 B13R0.147 CCCOCCOCCNC(=O)OC 34a_100000757965_100011215938 [0,2,0,0,0,0|2,0,0]=4 12748 B13R0.147 CCCOCCOCCOC(=O)OC 34a_100010262106_100011215938 [0,2,0,0,0,0|2,0,0]=4 12749 B13R0.147 CCCOCCSCCCC(=O)NC 62a_100000741757_100011215938 [0,2,0,0,0,0|2,0,0]=4 12750 B13R0.147 CCCOCCSCCCC(=O)NC 62a_100011215938_100000741757 [0,2,0,0,0,0|2,0,0]=4 12751 B13R0.147 CCCOCCSCCCC(=O)OC 62a_100011215938_100011218270 [0,2,0,0,0,0|1,0,0]=3 12752 B13R0.147 CCCOCCSCCCC(=O)OC 62a_100011218270_100011215938 [0,2,0,0,0,0|1,0,0]=3 12753 B13R0.147 CCCSCCCCCCC(=O)OC 62a_100000210303_100009815986 [0,2,0,0,0,0|0,0,0]=2 12754 B13R0.147 CCCSCCCCCCC(=O)OC 62a_100009815986_100000210303 [0,2,0,0,0,0|0,0,0]=2 12755 B13R0.147 CCCSCCNCCCC(=O)NC 2230a_100020603323_100000741757 [0,2,0,0,0,0|2,0,0]=4 12756 B13R0.147 CCCSCCNCCCC(=O)OC 2230a_100020603323_100011218270 [0,2,0,0,0,0|1,0,0]=3 12757 B13R0.147 CCCSCCOCCCC(=O)NC 34a_200000230433_100000741757 [0,2,0,0,0,0|2,0,0]=4 12758 B13R0.147 CCCSCCOCCCC(=O)NC 7a_200000230433_100000741757 [0,2,0,0,0,0|2,0,0]=4 12759 B13R0.147 CCCSCCOCCCC(=O)OC 34a_200000230433_100000742333 [0,2,0,0,0,0|1,0,0]=3 12760 B13R0.147 CCCSCCOCCCC(=O)OC 7a_200000230433_100011218270 [0,2,0,0,0,0|1,0,0]=3 12761 B13R0.147 CCNCCCCCCCC(=O)OC 2230a_100015525214_100010004213 [0,2,0,0,0,0|0,0,0]=2 12762 B13R0.147 CCOCCCCCCCC(=O)OC 34a_100011022521_100000210202 [0,2,0,0,0,0|0,0,0]=2 12763 B13R0.147 CCOCCCCCCCC(=O)OC 34a_100121572206_100010004213 [0,2,0,0,0,0|0,0,0]=2 12764 B13R0.147 CCOCCCCCCCC(=O)OC 7a_100011022521_100000210202 [0,2,0,0,0,0|0,0,0]=2 12765 B13R0.147 CCOCCCNCCCC(=O)NC 2230a_100000210961_100000741757 [0,2,0,0,0,0|2,0,0]=4 12766 B13R0.147 CCOCCCNCCCC(=O)NC 2230a_100000740002_100012232248 [0,2,0,0,0,0|2,0,0]=4 12767 B13R0.147 CCOCCCNCCCC(=O)NC 34a_100000210961_100000741757 [0,2,0,0,0,0|2,0,0]=4 12768 B13R0.147 CCOCCCNCCCC(=O)NC 34a_100000740002_100012232248 [0,2,0,0,0,0|2,0,0]=4 12769 B13R0.147 CCOCCCNCCCC(=O)OC 2230a_100000210961_100011218270 [0,2,0,0,0,0|1,0,0]=3 12770 B13R0.147 CCOCCCNCCCC(=O)OC 34a_100000210961_100000742333 [0,2,0,0,0,0|1,0,0]=3 12771 B13R0.147 CCOCCCOCCCC(=O)NC 34a_100000757476_100000741757 [0,2,0,0,0,0|2,0,0]=4 12772 B13R0.147 CCOCCCOCCCC(=O)NC 7a_100000757476_100000741757 [0,2,0,0,0,0|2,0,0]=4 12773 B13R0.147 CCOCCCOCCCC(=O)NN 34a_100000211488_100012232248 [0,2,0,0,0,0|2,0,0]=4 12774 B13R0.147 CCOCCCOCCCC(=O)OC 34a_100000757476_100000742333 [0,2,0,0,0,0|1,0,0]=3 12775 B13R0.147 CCOCCCOCCCC(=O)OC 7a_100000757476_100011218270 [0,2,0,0,0,0|1,0,0]=3 12776 B13R0.147 CCOCCCOCCNC(=O)OC 34a_100000757965_100012232248 [0,2,0,0,0,0|2,0,0]=4 12777 B13R0.147 CCOCCCOCCOC(=O)OC 34a_100010262106_100012232248 [0,2,0,0,0,0|2,0,0]=4 12778 B13R0.147 CCOCCCSCCCC(=O)NC 62a_100000741757_100012232248 [0,2,0,0,0,0|2,0,0]=4 12779 B13R0.147 CCOCCCSCCCC(=O)NC 62a_100012232248_100000741757 [0,2,0,0,0,0|2,0,0]=4 12780 B13R0.147 CCOCCCSCCCC(=O)OC 62a_100011218270_100012232248 [0,2,0,0,0,0|1,0,0]=3 12781 B13R0.147 CCOCCCSCCCC(=O)OC 62a_100012232248_100011218270 [0,2,0,0,0,0|1,0,0]=3 12782 B13R0.147 CCOCCNCCCCC(=O)OC 2230a_102516460346_100000204269 [0,2,0,0,0,0|1,0,0]=3 12783 B13R0.147 CCOCCNCCCCC(=O)OC 34a_102516460346_100000204269 [0,2,0,0,0,0|1,0,0]=3 12784 B13R0.147 CCOCCNCCOCC(=O)OC 2230a_102516460346_100000090808 [0,2,0,0,0,0|2,0,0]=4 12785 B13R0.147 CCOCCNCCOCC(=O)OC 34a_102516460346_100000090808 [0,2,0,0,0,0|2,0,0]=4 12786 B13R0.147 CCOCCOCCCCC(=O)OC 34a_100000059025_100000210147 [0,2,0,0,0,0|1,0,0]=3 12787 B13R0.147 CCOCCOCCCCC(=O)OC 34a_100000210136_100000204269 [0,2,0,0,0,0|1,0,0]=3 12788 B13R0.147 CCOCCOCCCCC(=O)OC 7a_100000059025_100011215890 [0,2,0,0,0,0|1,0,0]=3 12789 B13R0.147 CCOCCOCCCCC(=O)OC 7a_100000210136_100000204269 [0,2,0,0,0,0|1,0,0]=3 12790 B13R0.147 CCOCCOCCNCC(=O)OC 2230a_100102712874_100000747449 [0,2,0,0,0,0|2,0,0]=4 12791 B13R0.147 CCOCCOCCNCC(=O)OC 34a_100102712874_100000747449 [0,2,0,0,0,0|2,0,0]=4 12792 B13R0.147 CCOCCOCCOCC(=O)OC 34a_100000210136_100000090808 [0,2,0,0,0,0|2,0,0]=4 12793 B13R0.147 CCOCCOCCOCC(=O)OC 34a_100000210240_100000747449 [0,2,0,0,0,0|2,0,0]=4 12794 B13R0.147 CCOCCOCCOCC(=O)OC 34a_100011023656_100000210202 [0,2,0,0,0,0|2,0,0]=4 12795 B13R0.147 CCOCCOCCOCC(=O)OC 7a_100000210136_100000090808 [0,2,0,0,0,0|2,0,0]=4 12796 B13R0.147 CCOCCOCCOCC(=O)OC 7a_100000210240_100000747449 [0,2,0,0,0,0|2,0,0]=4 12797 B13R0.147 CCOCCOCCOCC(=O)OC 7a_100011023656_100000210202 [0,2,0,0,0,0|2,0,0]=4 12798 B13R0.147 CCOCCOCCSCC(=O)OC 62a_100000747449_100011211534 [0,2,0,0,0,0|2,0,0]=4 12799 B13R0.147 CCOCCOCCSCC(=O)OC 62a_100011211534_100000747449 [0,2,0,0,0,0|2,0,0]=4 12800 B13R0.147 CCOCCSCCCCC(=O)OC 62a_100000204269_100011215890 [0,2,0,0,0,0|1,0,0]=3 12801 B13R0.147 CCOCCSCCCCC(=O)OC 62a_100000210147_100000204269 [0,2,0,0,0,0|1,0,0]=3 12802 B13R0.147 CCOCCSCCOCC(=O)OC 62a_100000090808_100011215890 [0,2,0,0,0,0|2,0,0]=4 12803 B13R0.147 CCOCCSCCOCC(=O)OC 62a_100000210147_100000090808 [0,2,0,0,0,0|2,0,0]=4 12804 B13R0.147 CCOCSCCCCCC(=O)OC 62a_100000739092_100009816466 [0,2,0,0,0,0|1,0,0]=3 12805 B13R0.147 CCOCSCCCCCC(=O)OC 62a_100009816466_100000739092 [0,2,0,0,0,0|1,0,0]=3 12806 B13R0.147 CCSCCCCCCCC(=O)OC 62a_100000210202_100010004213 [0,2,0,0,0,0|0,0,0]=2 12807 B13R0.147 CCSCCCCCCCC(=O)OC 62a_100010004213_100000210202 [0,2,0,0,0,0|0,0,0]=2 12808 B13R0.147 CCSCCCOCCCC(=O)NC 34a_100011216438_100000741757 [0,2,0,0,0,0|2,0,0]=4 12809 B13R0.147 CCSCCCOCCCC(=O)NC 7a_100011216438_100000741757 [0,2,0,0,0,0|2,0,0]=4 12810 B13R0.147 CCSCCCOCCCC(=O)OC 34a_100011216438_100000742333 [0,2,0,0,0,0|1,0,0]=3 12811 B13R0.147 CCSCCCOCCCC(=O)OC 7a_100011216438_100011218270 [0,2,0,0,0,0|1,0,0]=3 12812 B13R0.147 CCSCCNCCCCC(=O)OC 2230a_100000106463_100000204269 [0,2,0,0,0,0|1,0,0]=3 12813 B13R0.147 CCSCCNCCOCC(=O)OC 2230a_100000106463_100000090808 [0,2,0,0,0,0|2,0,0]=4 12814 B13R0.147 CCSCCOCCCCC(=O)OC 34a_100000059025_100000757381 [0,2,0,0,0,0|1,0,0]=3 12815 B13R0.147 CCSCCOCCCCC(=O)OC 34a_100000212035_100000204269 [0,2,0,0,0,0|1,0,0]=3 12816 B13R0.147 CCSCCOCCCCC(=O)OC 7a_100000059025_100000757381 [0,2,0,0,0,0|1,0,0]=3 12817 B13R0.147 CCSCCOCCCCC(=O)OC 7a_100000212035_100000204269 [0,2,0,0,0,0|1,0,0]=3 12818 B13R0.147 CCSCCOCCOCC(=O)OC 34a_100000212035_100000090808 [0,2,0,0,0,0|2,0,0]=4 12819 B13R0.147 CCSCCOCCOCC(=O)OC 7a_100000212035_100000090808 [0,2,0,0,0,0|2,0,0]=4 12820 B13R0.147 CCSCCSCCCCC(=O)OC 62a_100000204269_100000757381 [0,2,0,0,0,0|1,0,0]=3 12821 B13R0.147 CCSCCSCCCCC(=O)OC 62a_100000757381_100000204269 [0,2,0,0,0,0|1,0,0]=3 12822 B13R0.147 CCSCCSCCOCC(=O)OC 62a_100000090808_100000757381 [0,2,0,0,0,0|2,0,0]=4 12823 B13R0.147 CCSCCSCCOCC(=O)OC 62a_100000757381_100000090808 [0,2,0,0,0,0|2,0,0]=4 12824 B13R0.147 CNC(=O)CCCCCCCCCF 11a_106832991635_200009909015 [0,2,0,0,0,0|1,0,0]=3 12825 B13R0.147 CNC(=O)CCCCCCCCCF 240690a_100102657272_200009909015 [0,2,0,0,0,0|1,0,0]=3 12826 B13R0.147 CNC(=O)CCCCCCCCCF 527a_100102657272_200009909015 [0,2,0,0,0,0|1,0,0]=3 12827 B13R0.147 CNC(=O)CCCCCCCCCO 240690a_100102657272_100000032657 [0,2,0,0,0,0|1,0,0]=3 12828 B13R0.147 CNC(=O)CCCNCCCCCF 2230a_100000740002_100000729378 [0,2,0,0,0,0|2,0,0]=4 12829 B13R0.147 CNC(=O)CCCNCCCCCF 34a_100000740002_100000729378 [0,2,0,0,0,0|2,0,0]=4 12830 B13R0.147 CNC(=O)CCCNCCCCCO 2230a_100000740002_100000746330 [0,2,0,0,0,0|2,0,0]=4 12831 B13R0.147 CNC(=O)CCCNCCCCCO 2230a_100000762737_100000741757 [0,2,0,0,0,0|2,0,0]=4 12832 B13R0.147 CNC(=O)CCCNCCCCCO 34a_100000740002_100000746330 [0,2,0,0,0,0|2,0,0]=4 12833 B13R0.147 CNC(=O)CCCNCCCCCO 34a_100000762737_100000741757 [0,2,0,0,0,0|2,0,0]=4 12834 B13R0.147 CNC(=O)CCCNCCCCOC 2230a_100000740002_100000730899 [0,2,0,0,0,0|2,0,0]=4 12835 B13R0.147 CNC(=O)CCCNCCCCOC 34a_100000740002_100000755781 [0,2,0,0,0,0|2,0,0]=4 12836 B13R0.147 CNC(=O)CCCOCCCCCBr 34a_100000746331_100000741757 [0,2,0,0,0,0|2,0,0]=4 12837 B13R0.147 CNC(=O)CCCOCCCCCBr 7a_100000746331_100000741757 [0,2,0,0,0,0|2,0,0]=4 12838 B13R0.147 CNC(=O)CCCOCCCCCCl 34a_100000746330_100000741757 [0,2,0,0,0,0|2,0,0]=4 12839 B13R0.147 CNC(=O)CCCOCCCCCCl 7a_100000746330_100000741757 [0,2,0,0,0,0|2,0,0]=4 12840 B13R0.147 CNC(=O)CCCOCCCCCI 34a_200012148887_100000741757 [0,2,0,0,0,0|2,0,0]=4 12841 B13R0.147 CNC(=O)CCCOCCCCCI 7a_200012148887_100000741757 [0,2,0,0,0,0|2,0,0]=4 12842 B13R0.147 CNC(=O)CCCOCCCCCN 34a_100000762737_100000741757 [0,2,0,0,0,0|2,0,0]=4 12843 B13R0.147 CNC(=O)CCCOCCCCOC 34a_100000740925_100000741757 [0,2,0,0,0,0|2,0,0]=4 12844 B13R0.147 CNC(=O)CCCOCCCCSC 34a_100011217163_100000741757 [0,2,0,0,0,0|2,0,0]=4 12845 B13R0.147 CNC(=O)CCCOCCCCSC 7a_100011217163_100000741757 [0,2,0,0,0,0|2,0,0]=4 12846 B13R0.147 CNC(=O)CCCSCCCCCF 62a_100000729378_100000741757 [0,2,0,0,0,0|2,0,0]=4 12847 B13R0.147 CNC(=O)CCCSCCCCCF 62a_100000741757_100000729378 [0,2,0,0,0,0|2,0,0]=4 12848 B13R0.147 CNC(=O)CCCSCCCCCO 62a_100000741757_100000746330 [0,2,0,0,0,0|2,0,0]=4 12849 B13R0.147 CNC(=O)CCCSCCCCCO 62a_100000746330_100000741757 [0,2,0,0,0,0|2,0,0]=4 12850 B13R0.147 CNC(=O)CCCSCCCCOC 62a_100000730899_100000741757 [0,2,0,0,0,0|2,0,0]=4 12851 B13R0.147 CNC(=O)CCCSCCCCOC 62a_100000741757_100000730899 [0,2,0,0,0,0|2,0,0]=4 12852 B13R0.147 CNC(=O)CCNCCCCCCF 2230a_100000738227_100015922095 [0,2,0,0,0,0|2,0,0]=4 12853 B13R0.147 CNC(=O)CCNCCCCCCF 34a_100000738227_100015922095 [0,2,0,0,0,0|2,0,0]=4 12854 B13R0.147 CNC(=O)CCNCCCCCCO 2230a_100000686447_100000737683 [0,2,0,0,0,0|2,0,0]=4 12855 B13R0.147 CNC(=O)CCNCCCCCCO 2230a_100000738227_100000766143 [0,2,0,0,0,0|2,0,0]=4 12856 B13R0.147 CNC(=O)CCNCCCCCCO 34a_100000686447_100012179268 [0,2,0,0,0,0|2,0,0]=4 12857 B13R0.147 CNC(=O)CCNCCCCCCO 34a_100000738227_100000766143 [0,2,0,0,0,0|2,0,0]=4 12858 B13R0.147 CNC(=O)CCNCCCCCOC 2230a_100000747528_100000737683 [0,2,0,0,0,0|2,0,0]=4 12859 B13R0.147 CNC(=O)CCNCCCCCOC 34a_100000747528_100012179268 [0,2,0,0,0,0|2,0,0]=4 12860 B13R0.147 CNC(=O)CCOCCCCCCBr 34a_100011215345_100012179268 [0,2,0,0,0,0|2,0,0]=4 12861 B13R0.147 CNC(=O)CCOCCCCCCBr 7a_100011215345_100000737683 [0,2,0,0,0,0|2,0,0]=4 12862 B13R0.147 CNC(=O)CCOCCCCCCCl 34a_100000766143_100012179268 [0,2,0,0,0,0|2,0,0]=4 12863 B13R0.147 CNC(=O)CCOCCCCCCCl 7a_100000766143_100000737683 [0,2,0,0,0,0|2,0,0]=4 12864 B13R0.147 CNC(=O)CCOCCCCCCF 34a_100000732779_100012179268 [0,2,0,0,0,0|2,0,0]=4 12865 B13R0.147 CNC(=O)CCOCCCCCCF 34a_100000754576_100015922095 [0,2,0,0,0,0|2,0,0]=4 12866 B13R0.147 CNC(=O)CCOCCCCCCF 7a_100000732779_100000737683 [0,2,0,0,0,0|2,0,0]=4 12867 B13R0.147 CNC(=O)CCOCCCCCCN 34a_100000686447_100012179268 [0,2,0,0,0,0|2,0,0]=4 12868 B13R0.147 CNC(=O)CCOCCCCCCO 34a_100000754576_100000766143 [0,2,0,0,0,0|2,0,0]=4 12869 B13R0.147 CNC(=O)CCSCCCCCCF 62a_100000737683_100015922095 [0,2,0,0,0,0|2,0,0]=4 12870 B13R0.147 CNC(=O)CCSCCCCCCF 62a_100015922095_100000737683 [0,2,0,0,0,0|2,0,0]=4 12871 B13R0.147 CNC(=O)CCSCCCCCCO 62a_100000737683_100000766143 [0,2,0,0,0,0|2,0,0]=4 12872 B13R0.147 CNC(=O)CCSCCCCCCO 62a_100000766143_100000737683 [0,2,0,0,0,0|2,0,0]=4 12873 B13R0.147 CNC(=O)CNCCCCCCCO 2230a_100000693194_100000760002 [0,2,0,0,0,0|2,0,0]=4 12874 B13R0.147 CNC(=O)CNCCCCCCCO 2230a_100011996573_100000183359 [0,2,0,0,0,0|2,0,0]=4 12875 B13R0.147 CNC(=O)CNCCCCCCCO 34a_100011996573_100000183359 [0,2,0,0,0,0|2,0,0]=4 12876 B13R0.147 CNC(=O)CNCCCCCCOC 2230a_100000693194_100011998445 [0,2,0,0,0,0|2,0,0]=4 12877 B13R0.147 CNC(=O)COCCCCCCCBr 34a_100000760002_100000183359 [0,2,0,0,0,0|2,0,0]=4 12878 B13R0.147 CNC(=O)COCCCCCCCBr 7a_100000760002_100000183359 [0,2,0,0,0,0|2,0,0]=4 12879 B13R0.147 CNC(=O)COCCCCCCCN 34a_100011996573_100000183359 [0,2,0,0,0,0|2,0,0]=4 12880 B13R0.147 CNC(=O)COCCCCCCCO 34a_100000750040_100000760002 [0,2,0,0,0,0|2,0,0]=4 12881 B13R0.147 CNC(=O)COCCCCCCOC 34a_100000750040_100011998445 [0,2,0,0,0,0|2,0,0]=4 12882 B13R0.147 CNC(=O)COCCCCCCOC 34a_200012092642_100000183359 [0,2,0,0,0,0|2,0,0]=4 12883 B13R0.147 CNC(=O)COCCCCCCOC 7a_200012092642_100000183359 [0,2,0,0,0,0|2,0,0]=4 12884 B13R0.147 CNC(=O)CSCCCCCCCO 62a_100000183359_100000760002 [0,2,0,0,0,0|2,0,0]=4 12885 B13R0.147 CNC(=O)CSCCCCCCCO 62a_100000760002_100000183359 [0,2,0,0,0,0|2,0,0]=4 12886 B13R0.147 CNC(=O)CSCCCCCCOC 62a_100000183359_100011998445 [0,2,0,0,0,0|2,0,0]=4 12887 B13R0.147 CNC(=O)CSCCCCCCOC 62a_100011998445_100000183359 [0,2,0,0,0,0|2,0,0]=4 12888 B13R0.147 CNC(=O)NCCCCCCCCO 2708a_100102657272_102515433106 [0,2,0,0,0,0|2,0,0]=4 12889 B13R0.147 CNC(=O)NCCCCCCCCO 2708a_102515433106_106832991635 [0,2,0,0,0,0|2,0,0]=4 12890 B13R0.147 CNC(=O)NCCCCCCCCO 273464a_100102657272_102515433106 [0,2,0,0,0,0|2,0,0]=4 12891 B13R0.147 CNC(=O)NCCCCCCCCO 273464a_102515433106_100102657272 [0,2,0,0,0,0|2,0,0]=4 12892 B13R0.147 CNC(=O)NCCCCCCCCO 512a_102515433106_100102657272 [0,2,0,0,0,0|2,0,0]=4 12893 B13R0.147 CNC(=O)NCCCCCCCCO 512a_106832991638_102515433106 [0,2,0,0,0,0|2,0,0]=4 12894 B13R0.147 CNCCCCCCCCC(=O)OC 2230a_106832991635_100010282707 [0,2,0,0,0,0|0,0,0]=2 12895 B13R0.147 CNCCCCCCCCC(=O)OC 34a_100102657272_100010282707 [0,2,0,0,0,0|0,0,0]=2 12896 B13R0.147 CNCCCCCCCCC(=O)OC 7a_106832991635_100010282707 [0,2,0,0,0,0|0,0,0]=2 12897 B13R0.147 CNCCCCCOCCC(=O)NC 34a_100000722520_100012179268 [0,2,0,0,0,0|2,0,0]=4 12898 B13R0.147 CNCCCCCOCCC(=O)OC 34a_100000722520_100000742370 [0,2,0,0,0,0|1,0,0]=3 12899 B13R0.147 CNCCCOCCCCC(=O)OC 34a_100000213112_100000204269 [0,2,0,0,0,0|1,0,0]=3 12900 B13R0.147 CNCCCOCCOCC(=O)OC 34a_100000213112_100000090808 [0,2,0,0,0,0|2,0,0]=4 12901 B13R0.147 CNCCOCCOCCC(=O)OC 34a_100000228057_100000742370 [0,2,0,0,0,0|2,0,0]=4 12902 B13R0.147 COC(=O)CCCCCCCCO[13CH3] 34a_100000035544_200025704644 [0,2,0,0,0,0|0,0,0]=2 12903 B13R0.147 COC(=O)CCCCCCCCO[13CH3] 7a_100000035544_200025704644 [0,2,0,0,0,0|0,0,0]=2 12904 B13R0.147 COC(=O)CCCCCCCCSC 62a_100010282707_200000210301 [0,2,0,0,0,0|0,0,0]=2 12905 B13R0.147 COC(=O)CCCCCCCCSC 62a_200000210301_100010282707 [0,2,0,0,0,0|0,0,0]=2 12906 B13R0.147 COC(=O)CCCCCCCCS[13CH3] 62a_100010282707_200025704644 [0,2,0,0,0,0|0,0,0]=2 12907 B13R0.147 COC(=O)CCCCCCCCS[13CH3] 62a_200025704644_100010282707 [0,2,0,0,0,0|0,0,0]=2 12908 B13R0.147 COC(=O)CCCCCCCOCF 34a_100011022521_100015361967 [0,2,0,0,0,0|1,0,0]=3 12909 B13R0.147 COC(=O)CCCCCCCOCF 7a_100011022521_100015361967 [0,2,0,0,0,0|1,0,0]=3 12910 B13R0.147 COC(=O)CCCCCCCSCF 62a_100010004213_100015361967 [0,2,0,0,0,0|1,0,0]=3 12911 B13R0.147 COC(=O)CCCCCCCSCF 62a_100015361967_100010004213 [0,2,0,0,0,0|1,0,0]=3 12912 B13R0.147 COC(=O)CCCCCCNCCF 34a_100000724931_100009815986 [0,2,0,0,0,0|1,0,0]=3 12913 B13R0.147 COC(=O)CCCCCCNCCO 2230a_100016997473_100009815986 [0,2,0,0,0,0|1,0,0]=3 12914 B13R0.147 COC(=O)CCCCCCNCCO 34a_100016990907_100009815986 [0,2,0,0,0,0|1,0,0]=3 12915 B13R0.147 COC(=O)CCCCCCOCC#N 7a_100009863599_100011215382 [0,2,0,0,0,0|1,0,1]=4 12916 B13R0.147 COC(=O)CCCCCCOCC=O 34a_100009863599_200009817547 [0,2,0,0,0,0|1,0,1]=4 12917 B13R0.147 COC(=O)CCCCCCOCC=O 7a_100009863599_200015260668 [0,2,0,0,0,0|1,0,1]=4 12918 B13R0.147 COC(=O)CCCCCCOCCBr 34a_100000211926_100009815986 [0,2,0,0,0,0|1,0,0]=3 12919 B13R0.147 COC(=O)CCCCCCOCCF 34a_100009863599_100011217306 [0,2,0,0,0,0|1,0,0]=3 12920 B13R0.147 COC(=O)CCCCCCOCCF 7a_100009863599_100011217306 [0,2,0,0,0,0|1,0,0]=3 12921 B13R0.147 COC(=O)CCCCCCOCCN 34a_100000210304_100009815986 [0,2,0,0,0,0|1,0,0]=3 12922 B13R0.147 COC(=O)CCCCCCOCCO 34a_100009863599_100000211926 [0,2,0,0,0,0|1,0,0]=3 12923 B13R0.147 COC(=O)CCCCCCOCCO 7a_100009863599_100000211926 [0,2,0,0,0,0|1,0,0]=3 12924 B13R0.147 COC(=O)CCCCCCOCSC 34a_100009863599_100011218213 [0,2,0,0,0,0|1,0,0]=3 12925 B13R0.147 COC(=O)CCCCCCSCC#N 62a_100009815986_100011215382 [0,2,0,0,0,0|1,0,1]=4 12926 B13R0.147 COC(=O)CCCCCCSCC#N 62a_100011215382_100009815986 [0,2,0,0,0,0|1,0,1]=4 12927 B13R0.147 COC(=O)CCCCCCSCC=O 62a_100009815986_200015260668 [0,2,0,0,0,0|1,0,1]=4 12928 B13R0.147 COC(=O)CCCCCCSCC=O 62a_200015260668_100009815986 [0,2,0,0,0,0|1,0,1]=4 12929 B13R0.147 COC(=O)CCCCCCSCCF 62a_100009815986_100011217306 [0,2,0,0,0,0|1,0,0]=3 12930 B13R0.147 COC(=O)CCCCCCSCCF 62a_100011217306_100009815986 [0,2,0,0,0,0|1,0,0]=3 12931 B13R0.147 COC(=O)CCCCCCSCCO 62a_100000211926_100009815986 [0,2,0,0,0,0|1,0,0]=3 12932 B13R0.147 COC(=O)CCCCCCSCCO 62a_100009815986_100000211926 [0,2,0,0,0,0|1,0,0]=3 12933 B13R0.147 COC(=O)CCCCCCSCSC 62a_100009815986_100011218213 [0,2,0,0,0,0|1,0,0]=3 12934 B13R0.147 COC(=O)CCCCCCSCSC 62a_100011218213_100009815986 [0,2,0,0,0,0|1,0,0]=3 12935 B13R0.147 COC(=O)CCCCCNCCCF 2230a_100015189416_100009816466 [0,2,0,0,0,0|1,0,0]=3 12936 B13R0.147 COC(=O)CCCCCNCCCF 34a_100015189416_100009816466 [0,2,0,0,0,0|1,0,0]=3 12937 B13R0.147 COC(=O)CCCCCNCCSC 2230a_100020590264_100009816466 [0,2,0,0,0,0|1,0,0]=3 12938 B13R0.147 COC(=O)CCCCCOCCC#N 7a_100000074720_100000184422 [0,2,0,0,0,0|1,0,1]=4 12939 B13R0.147 COC(=O)CCCCCOCCCBr 34a_100011217188_100009816466 [0,2,0,0,0,0|1,0,0]=3 12940 B13R0.147 COC(=O)CCCCCOCCCCl 34a_100000230001_100009816466 [0,2,0,0,0,0|1,0,0]=3 12941 B13R0.147 COC(=O)CCCCCOCCCF 34a_100000074720_100011934791 [0,2,0,0,0,0|1,0,0]=3 12942 B13R0.147 COC(=O)CCCCCOCCCF 34a_100000759539_100009816466 [0,2,0,0,0,0|1,0,0]=3 12943 B13R0.147 COC(=O)CCCCCOCCCF 7a_100000074720_100011934791 [0,2,0,0,0,0|1,0,0]=3 12944 B13R0.147 COC(=O)CCCCCOCCCN 34a_100000182051_100009816466 [0,2,0,0,0,0|1,0,0]=3 12945 B13R0.147 COC(=O)CCCCCOCCCO 34a_100000074720_100000230001 [0,2,0,0,0,0|1,0,0]=3 12946 B13R0.147 COC(=O)CCCCCOCCCO 7a_100000074720_100011215043 [0,2,0,0,0,0|1,0,0]=3 12947 B13R0.147 COC(=O)CCCCCOCCON 34a_100000700252_100009816466 [0,2,0,0,0,0|2,0,0]=4 12948 B13R0.147 COC(=O)CCCCCOCCSC 34a_100000074720_100000212216 [0,2,0,0,0,0|1,0,0]=3 12949 B13R0.147 COC(=O)CCCCCOCCSC 34a_100000230434_100009816466 [0,2,0,0,0,0|1,0,0]=3 12950 B13R0.147 COC(=O)CCCCCOCCSC 7a_100000074720_100000212216 [0,2,0,0,0,0|1,0,0]=3 12951 B13R0.147 COC(=O)CCCCCOCCSC 7a_100000230434_100009816466 [0,2,0,0,0,0|1,0,0]=3 12952 B13R0.147 COC(=O)CCCCCSCCC#N 62a_100009816466_100011215226 [0,2,0,0,0,0|1,0,1]=4 12953 B13R0.147 COC(=O)CCCCCSCCC#N 62a_100011215226_100009816466 [0,2,0,0,0,0|1,0,1]=4 12954 B13R0.147 COC(=O)CCCCCSCCCF 62a_100009816466_100011934791 [0,2,0,0,0,0|1,0,0]=3 12955 B13R0.147 COC(=O)CCCCCSCCCF 62a_100011934791_100009816466 [0,2,0,0,0,0|1,0,0]=3 12956 B13R0.147 COC(=O)CCCCCSCCCO 62a_100009816466_100011215043 [0,2,0,0,0,0|1,0,0]=3 12957 B13R0.147 COC(=O)CCCCCSCCCO 62a_100011215043_100009816466 [0,2,0,0,0,0|1,0,0]=3 12958 B13R0.147 COC(=O)CCCCCSCCSC 62a_100000212216_100009816466 [0,2,0,0,0,0|1,0,0]=3 12959 B13R0.147 COC(=O)CCCCCSCCSC 62a_100009816466_100000751147 [0,2,0,0,0,0|1,0,0]=3 12960 B13R0.147 COC(=O)CCCCNCCCCO 2230a_100000750430_100000204269 [0,2,0,0,0,0|1,0,0]=3 12961 B13R0.147 COC(=O)CCCCNCCCCO 34a_100000750430_100000204269 [0,2,0,0,0,0|1,0,0]=3 12962 B13R0.147 COC(=O)CCCCNCCCSC 2230a_100000749238_100000204269 [0,2,0,0,0,0|1,0,0]=3 12963 B13R0.147 COC(=O)CCCCOCCCC#N 7a_100000059025_100000687738 [0,2,0,0,0,0|1,0,1]=4 12964 B13R0.147 COC(=O)CCCCOCCCC=O 7a_100000059025_200011292268 [0,2,0,0,0,0|1,0,1]=4 12965 B13R0.147 COC(=O)CCCCOCCCCBr 34a_100011216708_100000204269 [0,2,0,0,0,0|1,0,0]=3 12966 B13R0.147 COC(=O)CCCCOCCCCCl 34a_100000210776_100000204269 [0,2,0,0,0,0|1,0,0]=3 12967 B13R0.147 COC(=O)CCCCOCCCCCl 7a_100000210776_100000204269 [0,2,0,0,0,0|1,0,0]=3 12968 B13R0.147 COC(=O)CCCCOCCCCF 34a_100000059025_100000729493 [0,2,0,0,0,0|1,0,0]=3 12969 B13R0.147 COC(=O)CCCCOCCCCF 34a_100011995726_100000204269 [0,2,0,0,0,0|1,0,0]=3 12970 B13R0.147 COC(=O)CCCCOCCCCF 7a_100000059025_100000729493 [0,2,0,0,0,0|1,0,0]=3 12971 B13R0.147 COC(=O)CCCCOCCCCF 7a_100011995726_100000204269 [0,2,0,0,0,0|1,0,0]=3 12972 B13R0.147 COC(=O)CCCCOCCCCI 34a_200012148704_100000204269 [0,2,0,0,0,0|1,0,0]=3 12973 B13R0.147 COC(=O)CCCCOCCCCN 34a_100000750430_100000204269 [0,2,0,0,0,0|1,0,0]=3 12974 B13R0.147 COC(=O)CCCCOCCCCO 34a_100000059025_100011216708 [0,2,0,0,0,0|1,0,0]=3 12975 B13R0.147 COC(=O)CCCCOCCCCO 7a_100000059025_100000210776 [0,2,0,0,0,0|1,0,0]=3 12976 B13R0.147 COC(=O)CCCCOCCCSC 34a_100000690336_100000204269 [0,2,0,0,0,0|1,0,0]=3 12977 B13R0.147 COC(=O)CCCCOCCCSC 7a_100000690336_100000204269 [0,2,0,0,0,0|1,0,0]=3 12978 B13R0.147 COC(=O)CCCCSCCCC#N 62a_100000204269_100000687738 [0,2,0,0,0,0|1,0,1]=4 12979 B13R0.147 COC(=O)CCCCSCCCC#N 62a_100000687738_100000204269 [0,2,0,0,0,0|1,0,1]=4 12980 B13R0.147 COC(=O)CCCCSCCCC=O 62a_100000204269_200011292268 [0,2,0,0,0,0|1,0,1]=4 12981 B13R0.147 COC(=O)CCCCSCCCC=O 62a_200011292268_100000204269 [0,2,0,0,0,0|1,0,1]=4 12982 B13R0.147 COC(=O)CCCCSCCCCF 62a_100000204269_100000729493 [0,2,0,0,0,0|1,0,0]=3 12983 B13R0.147 COC(=O)CCCCSCCCCF 62a_100000729493_100000204269 [0,2,0,0,0,0|1,0,0]=3 12984 B13R0.147 COC(=O)CCCCSCCCCO 62a_100000204269_100000210776 [0,2,0,0,0,0|1,0,0]=3 12985 B13R0.147 COC(=O)CCCCSCCCCO 62a_100000210776_100000204269 [0,2,0,0,0,0|1,0,0]=3 12986 B13R0.147 COC(=O)CCCNCCCCCO 2230a_100000762737_100011218270 [0,2,0,0,0,0|1,0,0]=3 12987 B13R0.147 COC(=O)CCCNCCCCCO 34a_100000762737_100000742333 [0,2,0,0,0,0|1,0,0]=3 12988 B13R0.147 COC(=O)CCCNCCOCCO 2230a_100000211614_100011218270 [0,2,0,0,0,0|2,0,0]=4 12989 B13R0.147 COC(=O)CCCNCCOCCO 34a_100000211614_100000742333 [0,2,0,0,0,0|2,0,0]=4 12990 B13R0.147 COC(=O)CCCNCCSCCO 2230a_100011219999_100011218270 [0,2,0,0,0,0|2,0,0]=4 12991 B13R0.147 COC(=O)CCCOCCCCCBr 34a_100000746331_100000742333 [0,2,0,0,0,0|1,0,0]=3 12992 B13R0.147 COC(=O)CCCOCCCCCBr 7a_100000746331_100011218270 [0,2,0,0,0,0|1,0,0]=3 12993 B13R0.147 COC(=O)CCCOCCCCCCl 34a_100000746330_100000742333 [0,2,0,0,0,0|1,0,0]=3 12994 B13R0.147 COC(=O)CCCOCCCCCCl 7a_100000746330_100011218270 [0,2,0,0,0,0|1,0,0]=3 12995 B13R0.147 COC(=O)CCCOCCCCCI 34a_200012148887_100000742333 [0,2,0,0,0,0|1,0,0]=3 12996 B13R0.147 COC(=O)CCCOCCCCCI 7a_200012148887_100011218270 [0,2,0,0,0,0|1,0,0]=3 12997 B13R0.147 COC(=O)CCCOCCCCCN 34a_100000762737_100000742333 [0,2,0,0,0,0|1,0,0]=3 12998 B13R0.147 COC(=O)CCCOCCCCSC 34a_100011217163_100000742333 [0,2,0,0,0,0|1,0,0]=3 12999 B13R0.147 COC(=O)CCCOCCCCSC 7a_100011217163_100011218270 [0,2,0,0,0,0|1,0,0]=3 13000 B13R0.147 COC(=O)CCCOCCOCCBr 34a_100000692535_100000742333 [0,2,0,0,0,0|2,0,0]=4 13001 B13R0.147 COC(=O)CCCOCCOCCBr 7a_100000692535_100011218270 [0,2,0,0,0,0|2,0,0]=4 13002 B13R0.147 COC(=O)CCCOCCOCCCl 34a_100011215305_100000742333 [0,2,0,0,0,0|2,0,0]=4 13003 B13R0.147 COC(=O)CCCOCCOCCCl 7a_100011215305_100011218270 [0,2,0,0,0,0|2,0,0]=4 13004 B13R0.147 COC(=O)CCCOCCOCCF 34a_200015357709_100000742333 [0,2,0,0,0,0|2,0,0]=4 13005 B13R0.147 COC(=O)CCCOCCOCCF 7a_200015357709_100011218270 [0,2,0,0,0,0|2,0,0]=4 13006 B13R0.147 COC(=O)CCCOCCOCCI 34a_100012149058_100000742333 [0,2,0,0,0,0|2,0,0]=4 13007 B13R0.147 COC(=O)CCCOCCOCCI 7a_100012149058_100011218270 [0,2,0,0,0,0|2,0,0]=4 13008 B13R0.147 COC(=O)CCCOCCOCCN 34a_100000211614_100000742333 [0,2,0,0,0,0|2,0,0]=4 13009 B13R0.147 COC(=O)CCCSCCCCC#N 62a_100011218270_100000211819 [0,2,0,0,0,0|1,0,1]=4 13010 B13R0.147 COC(=O)CCCSCCCCC#N 62a_100011219923_100011218270 [0,2,0,0,0,0|1,0,1]=4 13011 B13R0.147 COC(=O)CCCSCCCCC=O 62a_100000139335_100011218270 [0,2,0,0,0,0|1,0,1]=4 13012 B13R0.147 COC(=O)CCCSCCCCC=O 62a_100011218270_100000139335 [0,2,0,0,0,0|1,0,1]=4 13013 B13R0.147 COC(=O)CCCSCCCCCF 62a_100000729378_100011218270 [0,2,0,0,0,0|1,0,0]=3 13014 B13R0.147 COC(=O)CCCSCCCCCF 62a_100011218270_100000729378 [0,2,0,0,0,0|1,0,0]=3 13015 B13R0.147 COC(=O)CCCSCCCCCO 62a_100000746330_100011218270 [0,2,0,0,0,0|1,0,0]=3 13016 B13R0.147 COC(=O)CCCSCCCCCO 62a_100011218270_100000746330 [0,2,0,0,0,0|1,0,0]=3 13017 B13R0.147 COC(=O)CCCSCCOCCO 62a_100011215305_100011218270 [0,2,0,0,0,0|2,0,0]=4 13018 B13R0.147 COC(=O)CCCSCCOCCO 62a_100011218270_100011215305 [0,2,0,0,0,0|2,0,0]=4 13019 B13R0.147 COC(=O)CCNCCCCCCO 2230a_100000686447_100000204255 [0,2,0,0,0,0|1,0,0]=3 13020 B13R0.147 COC(=O)CCNCCCCCCO 34a_100000686447_100000742370 [0,2,0,0,0,0|1,0,0]=3 13021 B13R0.147 COC(=O)CCOCCCCCCBr 34a_100011215345_100000742370 [0,2,0,0,0,0|1,0,0]=3 13022 B13R0.147 COC(=O)CCOCCCCCCBr 7a_100011215345_100000204255 [0,2,0,0,0,0|1,0,0]=3 13023 B13R0.147 COC(=O)CCOCCCCCCCl 34a_100000766143_100000742370 [0,2,0,0,0,0|1,0,0]=3 13024 B13R0.147 COC(=O)CCOCCCCCCCl 7a_100000766143_100000204255 [0,2,0,0,0,0|1,0,0]=3 13025 B13R0.147 COC(=O)CCOCCCCCCF 34a_100000732779_100000742370 [0,2,0,0,0,0|1,0,0]=3 13026 B13R0.147 COC(=O)CCOCCCCCCF 7a_100000732779_100000204255 [0,2,0,0,0,0|1,0,0]=3 13027 B13R0.147 COC(=O)CCOCCCCCCN 34a_100000686447_100000742370 [0,2,0,0,0,0|1,0,0]=3 13028 B13R0.147 COC(=O)CCOCCOCCO[13CH3] 34a_100010982084_200025704644 [0,2,0,0,0,0|2,0,0]=4 13029 B13R0.147 COC(=O)CCOCCOCCO[13CH3] 7a_100010982084_200025704644 [0,2,0,0,0,0|2,0,0]=4 13030 B13R0.147 COC(=O)CCSCCCCCC#N 62a_100000204255_100009813376 [0,2,0,0,0,0|1,0,1]=4 13031 B13R0.147 COC(=O)CCSCCCCCC#N 62a_100009813376_100000204255 [0,2,0,0,0,0|1,0,1]=4 13032 B13R0.147 COC(=O)CCSCCCCCC=O 62a_100000139337_100000204255 [0,2,0,0,0,0|1,0,1]=4 13033 B13R0.147 COC(=O)CCSCCCCCC=O 62a_100000204255_100000139337 [0,2,0,0,0,0|1,0,1]=4 13034 B13R0.147 COC(=O)CCSCCCCCCF 62a_100000204255_100015922095 [0,2,0,0,0,0|1,0,0]=3 13035 B13R0.147 COC(=O)CCSCCCCCCF 62a_100015922095_100000204255 [0,2,0,0,0,0|1,0,0]=3 13036 B13R0.147 COC(=O)CCSCCCCCCO 62a_100000204255_100000766143 [0,2,0,0,0,0|1,0,0]=3 13037 B13R0.147 COC(=O)CCSCCCCCCO 62a_100000766143_100000204255 [0,2,0,0,0,0|1,0,0]=3 13038 B13R0.147 COC(=O)CNCCCCCCCO 2230a_100011996573_100000747449 [0,2,0,0,0,0|1,0,0]=3 13039 B13R0.147 COC(=O)CNCCCCCCCO 34a_100011996573_100000747449 [0,2,0,0,0,0|1,0,0]=3 13040 B13R0.147 COC(=O)CNCCCOCCCO 2230a_100011310245_100000747449 [0,2,0,0,0,0|2,0,0]=4 13041 B13R0.147 COC(=O)CNCCCOCCCO 34a_100011310245_100000747449 [0,2,0,0,0,0|2,0,0]=4 13042 B13R0.147 COC(=O)COCCCCCCCBr 34a_100000760002_100000747449 [0,2,0,0,0,0|1,0,0]=3 13043 B13R0.147 COC(=O)COCCCCCCCBr 7a_100000760002_100000747449 [0,2,0,0,0,0|1,0,0]=3 13044 B13R0.147 COC(=O)COCCCCCCCN 34a_100011996573_100000747449 [0,2,0,0,0,0|1,0,0]=3 13045 B13R0.147 COC(=O)COCCCOCCCN 34a_100011310245_100000747449 [0,2,0,0,0,0|2,0,0]=4 13046 B13R0.147 COC(=O)COCCNCCCCO 2230a_100000750430_100000090808 [0,2,0,0,0,0|2,0,0]=4 13047 B13R0.147 COC(=O)COCCNCCCCO 34a_100000750430_100000090808 [0,2,0,0,0,0|2,0,0]=4 13048 B13R0.147 COC(=O)COCCNCCCSC 2230a_100000749238_100000090808 [0,2,0,0,0,0|2,0,0]=4 13049 B13R0.147 COC(=O)COCCOCCCCBr 34a_100011216708_100000090808 [0,2,0,0,0,0|2,0,0]=4 13050 B13R0.147 COC(=O)COCCOCCCCCl 34a_100000210776_100000090808 [0,2,0,0,0,0|2,0,0]=4 13051 B13R0.147 COC(=O)COCCOCCCCCl 7a_100000210776_100000090808 [0,2,0,0,0,0|2,0,0]=4 13052 B13R0.147 COC(=O)COCCOCCCCF 34a_100011995726_100000090808 [0,2,0,0,0,0|2,0,0]=4 13053 B13R0.147 COC(=O)COCCOCCCCF 7a_100011995726_100000090808 [0,2,0,0,0,0|2,0,0]=4 13054 B13R0.147 COC(=O)COCCOCCCCI 34a_200012148704_100000090808 [0,2,0,0,0,0|2,0,0]=4 13055 B13R0.147 COC(=O)COCCOCCCCN 34a_100000750430_100000090808 [0,2,0,0,0,0|2,0,0]=4 13056 B13R0.147 COC(=O)COCCOCCCSC 34a_100000690336_100000090808 [0,2,0,0,0,0|2,0,0]=4 13057 B13R0.147 COC(=O)COCCOCCCSC 7a_100000690336_100000090808 [0,2,0,0,0,0|2,0,0]=4 13058 B13R0.147 COC(=O)COCCSCCCCF 62a_100000090808_100000729493 [0,2,0,0,0,0|2,0,0]=4 13059 B13R0.147 COC(=O)COCCSCCCCF 62a_100000729493_100000090808 [0,2,0,0,0,0|2,0,0]=4 13060 B13R0.147 COC(=O)COCCSCCCCO 62a_100000090808_100000210776 [0,2,0,0,0,0|2,0,0]=4 13061 B13R0.147 COC(=O)COCCSCCCCO 62a_100000210776_100000090808 [0,2,0,0,0,0|2,0,0]=4 13062 B13R0.147 COC(=O)CSCCCCCCC#N 62a_100000747449_100009813337 [0,2,0,0,0,0|1,0,1]=4 13063 B13R0.147 COC(=O)CSCCCCCCC#N 62a_100009813337_100000747449 [0,2,0,0,0,0|1,0,1]=4 13064 B13R0.147 COC(=O)CSCCCCCCCO 62a_100000747449_100000760002 [0,2,0,0,0,0|1,0,0]=3 13065 B13R0.147 COC(=O)CSCCCCCCCO 62a_100000760002_100000747449 [0,2,0,0,0,0|1,0,0]=3 13066 B13R0.147 COC(=O)NCCOCCCCCF 34a_100000757965_100000729378 [0,2,0,0,0,0|2,0,0]=4 13067 B13R0.147 COC(=O)NCCOCCCCCO 34a_100000757965_100000746330 [0,2,0,0,0,0|2,0,0]=4 13068 B13R0.147 COC(=O)OCCOCCCCCF 34a_100010262106_100000729378 [0,2,0,0,0,0|2,0,0]=4 13069 B13R0.147 COC(=O)OCCOCCCCCO 34a_100010262106_100000746330 [0,2,0,0,0,0|2,0,0]=4 13070 B13R0.147 COC(=O)OCSCCCCCCF 62a_100015922095_100000139417 [0,2,0,0,0,0|2,0,0]=4 13071 B13R0.147 COC(=O)OCSCCCCCCO 62a_100000766143_100000139417 [0,2,0,0,0,0|2,0,0]=4 13072 B13R0.147 COCCCCCCCCC(=O)OC 34a_100000035544_200000210301 [0,2,0,0,0,0|0,0,0]=2 13073 B13R0.147 COCCCCCCCCC(=O)OC 34a_100138415774_100010282707 [0,2,0,0,0,0|0,0,0]=2 13074 B13R0.147 COCCCCCCCCC(=O)OC 7a_100000035544_200000210301 [0,2,0,0,0,0|0,0,0]=2 13075 B13R0.147 COCCCCCCOCC(=O)OC 34a_200012092642_100000747449 [0,2,0,0,0,0|1,0,0]=3 13076 B13R0.147 COCCCCCCOCC(=O)OC 7a_200012092642_100000747449 [0,2,0,0,0,0|1,0,0]=3 13077 B13R0.147 COCCCCCCSCC(=O)OC 62a_100000747449_100011998445 [0,2,0,0,0,0|1,0,0]=3 13078 B13R0.147 COCCCCCCSCC(=O)OC 62a_100011998445_100000747449 [0,2,0,0,0,0|1,0,0]=3 13079 B13R0.147 COCCCCCNCCC(=O)OC 2230a_100000747528_100000204255 [0,2,0,0,0,0|1,0,0]=3 13080 B13R0.147 COCCCCCNCCC(=O)OC 34a_100000747528_100000742370 [0,2,0,0,0,0|1,0,0]=3 13081 B13R0.147 COCCCCOCCCC(=O)NN 34a_100000211488_100000755781 [0,2,0,0,0,0|2,0,0]=4 13082 B13R0.147 COCCCCOCCCC(=O)OC 34a_100000740925_100000742333 [0,2,0,0,0,0|1,0,0]=3 13083 B13R0.147 COCCCCOCCNC(=O)OC 34a_100000757965_100000755781 [0,2,0,0,0,0|2,0,0]=4 13084 B13R0.147 COCCCCOCCOC(=O)OC 34a_100010262106_100000755781 [0,2,0,0,0,0|2,0,0]=4 13085 B13R0.147 COCCCCSCCCC(=O)OC 62a_100000730899_100011218270 [0,2,0,0,0,0|1,0,0]=3 13086 B13R0.147 COCCCCSCCCC(=O)OC 62a_100011218270_100000730899 [0,2,0,0,0,0|1,0,0]=3 13087 B13R0.147 COCCCNCCCCC(=O)OC 34a_100150723488_100000204269 [0,2,0,0,0,0|1,0,0]=3 13088 B13R0.147 COCCCNCCOCC(=O)OC 34a_100150723488_100000090808 [0,2,0,0,0,0|2,0,0]=4 13089 B13R0.147 COCCCOCCCCC(=O)OC 34a_100000059025_100000740836 [0,2,0,0,0,0|1,0,0]=3 13090 B13R0.147 COCCCOCCCCC(=O)OC 34a_100000740835_100000204269 [0,2,0,0,0,0|1,0,0]=3 13091 B13R0.147 COCCCOCCCCC(=O)OC 7a_100000059025_100000740836 [0,2,0,0,0,0|1,0,0]=3 13092 B13R0.147 COCCCOCCOCC(=O)OC 34a_100000740835_100000090808 [0,2,0,0,0,0|2,0,0]=4 13093 B13R0.147 COCCCSCCCCC(=O)OC 62a_100000204269_100000709357 [0,2,0,0,0,0|1,0,0]=3 13094 B13R0.147 COCCCSCCCCC(=O)OC 62a_100000709357_100000204269 [0,2,0,0,0,0|1,0,0]=3 13095 B13R0.147 COCCCSCCOCC(=O)OC 62a_100000090808_100000709357 [0,2,0,0,0,0|2,0,0]=4 13096 B13R0.147 COCCCSCCOCC(=O)OC 62a_100000709357_100000090808 [0,2,0,0,0,0|2,0,0]=4 13097 B13R0.147 COCCNCCCCCC(=O)OC 2230a_100000209980_100009816466 [0,2,0,0,0,0|1,0,0]=3 13098 B13R0.147 COCCOCCCCCC(=O)OC 34a_100000074720_100011201679 [0,2,0,0,0,0|1,0,0]=3 13099 B13R0.147 COCCOCCCCCC(=O)OC 34a_100000210237_100009816466 [0,2,0,0,0,0|1,0,0]=3 13100 B13R0.147 COCCOCCCCCC(=O)OC 7a_100000074720_100000233755 [0,2,0,0,0,0|1,0,0]=3 13101 B13R0.147 COCCOCCCNCC(=O)OC 2230a_100000206027_100000747449 [0,2,0,0,0,0|2,0,0]=4 13102 B13R0.147 COCCOCCCNCC(=O)OC 34a_100000206027_100000747449 [0,2,0,0,0,0|2,0,0]=4 13103 B13R0.147 COCCOCCCSCC(=O)OC 62a_100000747449_100011216529 [0,2,0,0,0,0|2,0,0]=4 13104 B13R0.147 COCCOCCCSCC(=O)OC 62a_100011216529_100000747449 [0,2,0,0,0,0|2,0,0]=4 13105 B13R0.147 COCCOCCNCCC(=O)OC 2230a_100000745349_100000204255 [0,2,0,0,0,0|2,0,0]=4 13106 B13R0.147 COCCOCCNCCC(=O)OC 34a_100000745349_100000742370 [0,2,0,0,0,0|2,0,0]=4 13107 B13R0.147 COCCOCCOCCC(=O)CO 1458a_100000210174_100013367474 [0,2,0,0,0,0|2,0,0]=4 13108 B13R0.147 COCCOCCOCCC(=O)OC 34a_100010982084_200000210301 [0,2,0,0,0,0|2,0,0]=4 13109 B13R0.147 COCCOCCOCCC(=O)OC 34a_100011215163_100000742370 [0,2,0,0,0,0|2,0,0]=4 13110 B13R0.147 COCCOCCOCCC(=O)OC 7a_100010982084_200000210301 [0,2,0,0,0,0|2,0,0]=4 13111 B13R0.147 COCCOCCOCCC(=O)OC 7a_100011215163_100000204255 [0,2,0,0,0,0|2,0,0]=4 13112 B13R0.147 COCCOCCSCCC(=O)OC 62a_100000204255_100000695917 [0,2,0,0,0,0|2,0,0]=4 13113 B13R0.147 COCCOCCSCCC(=O)OC 62a_100000695917_100000204255 [0,2,0,0,0,0|2,0,0]=4 13114 B13R0.147 COCCOCSCCCC(=O)OC 62a_100000231047_100011218270 [0,2,0,0,0,0|2,0,0]=4 13115 B13R0.147 COCCOCSCCCC(=O)OC 62a_100011218270_100000231047 [0,2,0,0,0,0|2,0,0]=4 13116 B13R0.147 COCCSCCCCCC(=O)OC 62a_100000233755_100009816466 [0,2,0,0,0,0|1,0,0]=3 13117 B13R0.147 COCCSCCCCCC(=O)OC 62a_100009816466_100000233755 [0,2,0,0,0,0|1,0,0]=3 13118 B13R0.147 COCSCCCCCCC(=O)OC 62a_100000766300_100009815986 [0,2,0,0,0,0|1,0,0]=3 13119 B13R0.147 COCSCCCCCCC(=O)OC 62a_100009815986_100000766300 [0,2,0,0,0,0|1,0,0]=3 13120 B13R0.147 NC(=NO)CCOCCCCCCF 34a_100000749954_100015922095 [0,2,0,0,0,0|2,0,0]=4 13121 B13R0.147 NC(=NO)CCOCCCCCCO 34a_100000749954_100000766143 [0,2,0,0,0,0|2,0,0]=4 13122 B13R0.147 NNC(=O)CCCOCCCCCF 34a_100000211488_100000729378 [0,2,0,0,0,0|2,0,0]=4 13123 B13R0.147 NNC(=O)CCCOCCCCCO 34a_100000211488_100000746330 [0,2,0,0,0,0|2,0,0]=4 13124 B13R0.147 O=C(CF)CCCCCCCCCF 1458a_200009909015_100015361967 [0,2,0,0,0,0|1,0,0]=3 13125 B13R0.147 O=C(CO)CCCCCCCCCO 1458a_100000210174_100009813782 [0,2,0,0,0,0|0,0,0]=2 13126 B13R0.147 O=C(CO)NCCCCCCCCO 240690a_102515433106_100000210174 [0,2,0,0,0,0|1,0,0]=3 13127 B13R0.150 C#CCCCCCCCC(=O)C(O)O 1458a_100000233687_100153394163 [0,2,0,0,0,0|0,0,2]=4 13128 B13R0.150 C#CCCCCCCCC(=O)[C@@H](C)O 1458a_100000717761_100153394163 [0,2,0,0,0,0|0,0,2]=4 13129 B13R0.150 C#CCCCCCCCC(=O)[C@H](C)O 1458a_217856618621_100153394163 [0,2,0,0,0,0|0,0,2]=4 13130 B13R0.150 C#CCCCCCCN[C@@H](C)C(=O)O 269956a_100000743915_100012276617 [0,2,0,0,0,0|0,0,2]=4 13131 B13R0.150 C#CCCCCCNCC(C)C(=O)O 269956a_100000749485_100012094781 [0,2,0,0,0,0|0,0,2]=4 13132 B13R0.150 C#CCCCCCNCC(F)C(=O)O 269956a_100000084737_100012094781 [0,2,0,0,0,0|0,0,2]=4 13133 B13R0.150 C=C(Br)C(=O)NCCCCCCCC 11a_100000229939_100009813364 [0,2,0,0,0,0|2,0,0]=4 13134 B13R0.150 C=C(Br)C(=O)NCCCCCCCC 1626a_100000229939_100009813364 [0,2,0,0,0,0|2,0,0]=4 13135 B13R0.150 C=C(C)C(=O)CCCCCCCCC 1458a_100000185857_100000210670 [0,2,0,0,0,0|1,0,0]=3 13136 B13R0.150 C=C(C)C(=O)CCCCCCCCO 1458a_100000185857_100000033203 [0,2,0,0,0,0|2,0,0]=4 13137 B13R0.150 C=C(C)C(=O)NCCCCCCCC 11a_100000229939_100000185857 [0,2,0,0,0,0|2,0,0]=4 13138 B13R0.150 C=C(C)C(=O)NCCCCCCCC 1626a_100000229939_100000185857 [0,2,0,0,0,0|2,0,0]=4 13139 B13R0.150 C=C(C)C(C)NCCCCCCCC 269862a_100000229939_100011216138 [0,2,0,0,0,0|2,0,0]=4 13140 B13R0.150 C=C(Cl)C(=O)NCCCCCCCC 11a_100000229939_100000039160 [0,2,0,0,0,0|2,0,0]=4 13141 B13R0.150 C=C(Cl)C(=O)NCCCCCCCC 1626a_100000229939_100000039160 [0,2,0,0,0,0|2,0,0]=4 13142 B13R0.150 C=C(F)C(=O)NCCCCCCCC 11a_100000229939_100000036797 [0,2,0,0,0,0|2,0,0]=4 13143 B13R0.150 C=C(F)C(=O)NCCCCCCCC 1626a_100000229939_100000036797 [0,2,0,0,0,0|2,0,0]=4 13144 B13R0.150 C=CCCCCCCCC(=O)C(O)O 1458a_100000233687_100012355270 [0,2,0,0,0,0|0,0,2]=4 13145 B13R0.150 C=CCCCCCCCC(=O)[C@@H](C)O 1458a_100000717761_100012355270 [0,2,0,0,0,0|0,0,2]=4 13146 B13R0.150 C=CCCCCCCCC(=O)[C@H](C)O 1458a_217856618621_100012355270 [0,2,0,0,0,0|0,0,2]=4 13147 B13R0.150 C=CCCCCCCN[C@@H](C)C(=O)O 269956a_100000743915_100011215473 [0,2,0,0,0,0|0,0,2]=4 13148 B13R0.150 C=CCCCCCNCC(C)C(=O)O 269956a_100000749485_100000700193 [0,2,0,0,0,0|0,0,2]=4 13149 B13R0.150 C=CCCCCCNCC(F)C(=O)O 269956a_100000084737_100000700193 [0,2,0,0,0,0|0,0,2]=4 13150 B13R0.150 CC(=O)C(C)COCCCCCCF 34a_100000032740_100015922095 [0,2,0,0,0,0|2,0,0]=4 13151 B13R0.150 CC(=O)C(C)COCCCCCCF 7a_100000032740_100015922095 [0,2,0,0,0,0|2,0,0]=4 13152 B13R0.150 CC(=O)C(C)COCCCCCCO 34a_100000032740_100000766143 [0,2,0,0,0,0|2,0,0]=4 13153 B13R0.150 CC(=O)C(C)COCCCCCCO 7a_100000032740_100000766143 [0,2,0,0,0,0|2,0,0]=4 13154 B13R0.150 CC(=O)C(C)NCCCCCCCO 2230a_100011996573_100009814033 [0,2,0,0,0,0|2,0,0]=4 13155 B13R0.150 CC(=O)C(C)OCCCCCCCBr 7a_100000760002_100000179758 [0,2,0,0,0,0|2,0,0]=4 13156 B13R0.150 CC(=O)C(C)OCCCCCCCO 34a_100000212229_100000760002 [0,2,0,0,0,0|2,0,0]=4 13157 B13R0.150 CC(=O)C(C)SCCCCCCCO 62a_100000760002_100009814033 [0,2,0,0,0,0|2,0,0]=4 13158 B13R0.150 CC(=O)C(C)SCCCCCCCO 62a_100009814033_100000760002 [0,2,0,0,0,0|2,0,0]=4 13159 B13R0.150 CC(C)C(=O)CCCCCCCCO 1458a_100000210198_100000033203 [0,2,0,0,0,0|2,0,0]=4 13160 B13R0.150 CC(CNCCCCCC#N)C(=O)O 269956a_100000749485_100009813376 [0,2,0,0,0,0|1,0,1]=4 13161 B13R0.150 CC(CNCCCCCC=O)C(=O)O 269956a_100000749485_100000139337 [0,2,0,0,0,0|1,0,1]=4 13162 B13R0.150 CC(CNCCCCCCF)C(=O)O 269956a_100000749485_100015922095 [0,2,0,0,0,0|1,0,0]=3 13163 B13R0.150 CC(CNCCCCCCO)C(=O)O 269956a_100000749485_100000766143 [0,2,0,0,0,0|1,0,0]=3 13164 B13R0.150 CC(F)C(=O)CCCCCCCCO 1458a_100000062450_100000033203 [0,2,0,0,0,0|2,0,0]=4 13165 B13R0.150 CC(NCCCCCCCO)C(=O)N 2230a_100011996573_100000702099 [0,2,0,0,0,0|2,0,0]=4 13166 B13R0.150 CC(NCCCCCCCO)C(=O)N 34a_100011996573_100000702099 [0,2,0,0,0,0|2,0,0]=4 13167 B13R0.150 CC(OCCCCCCCBr)C(=O)N 34a_100000760002_100000702099 [0,2,0,0,0,0|2,0,0]=4 13168 B13R0.150 CC(OCCCCCCCBr)C(=O)N 7a_100000760002_100000702099 [0,2,0,0,0,0|2,0,0]=4 13169 B13R0.150 CC(OCCCCCCCN)C(=O)N 34a_100011996573_100000702099 [0,2,0,0,0,0|2,0,0]=4 13170 B13R0.150 CC(SCCCCCCCO)C(=O)N 62a_100000702099_100000760002 [0,2,0,0,0,0|2,0,0]=4 13171 B13R0.150 CC(SCCCCCCCO)C(=O)N 62a_100000760002_100000702099 [0,2,0,0,0,0|2,0,0]=4 13172 B13R0.150 CCCCC#CCCCC(=O)C(O)O 1458a_100000233687_200000047210 [0,2,0,0,0,0|0,0,2]=4 13173 B13R0.150 CCCCC#CCCCC(=O)[C@@H](C)O 1458a_100000717761_200000047210 [0,2,0,0,0,0|0,0,2]=4 13174 B13R0.150 CCCCC#CCCCC(=O)[C@H](C)O 1458a_217856618621_200000047210 [0,2,0,0,0,0|0,0,2]=4 13175 B13R0.150 CCCCCC#CCN[C@@H](C)C(=O)O 269956a_100000743915_100009816472 [0,2,0,0,0,0|0,0,2]=4 13176 B13R0.150 CCCCCCCCCC(=O)C(C)C 1458a_100000210198_100000210670 [0,2,0,0,0,0|1,0,0]=3 13177 B13R0.150 CCCCCCCCCC(=O)C(C)C 1458a_100000210558_100000210206 [0,2,0,0,0,0|1,0,0]=3 13178 B13R0.150 CCCCCCCCCC(=O)C(C)F 1458a_100000062450_100000210670 [0,2,0,0,0,0|1,0,0]=3 13179 B13R0.150 CCCCCCCCCC(=O)C(O)O 1458a_100000233687_100000210670 [0,2,0,0,0,0|0,0,0]=2 13180 B13R0.150 CCCCCCCCCC(=O)N(C)C 11a_100102631434_100000210558 [0,2,0,0,0,0|1,0,0]=3 13181 B13R0.150 CCCCCCCCCC(=O)N(C)C 1626a_100102631434_100000210558 [0,2,0,0,0,0|1,0,0]=3 13182 B13R0.150 CCCCCCCCCC(=O)N(C)C 240690a_100102631434_100000210558 [0,2,0,0,0,0|1,0,0]=3 13183 B13R0.150 CCCCCCCCCC(=O)N(C)C 527a_100102631434_100000210558 [0,2,0,0,0,0|1,0,0]=3 13184 B13R0.150 CCCCCCCCCC(=O)[C@@H](C)O 1458a_100000717761_100000210670 [0,2,0,0,0,0|0,0,0]=2 13185 B13R0.150 CCCCCCCCCC(=O)[C@H](C)O 1458a_217856618621_100000210670 [0,2,0,0,0,0|0,0,0]=2 13186 B13R0.150 CCCCCCCCCN(C)C(=O)C 11a_100000232482_100015343762 [0,2,0,0,0,0|1,0,0]=3 13187 B13R0.150 CCCCCCCCCN(C)C(=O)C 1626a_100000232482_100015343762 [0,2,0,0,0,0|1,0,0]=3 13188 B13R0.150 CCCCCCCCCN(C)C(=O)C 240690a_100000232482_100015343762 [0,2,0,0,0,0|1,0,0]=3 13189 B13R0.150 CCCCCCCCCN(C)C(=O)C 527a_100000232482_100103153847 [0,2,0,0,0,0|1,0,0]=3 13190 B13R0.150 CCCCCCCCNC(=O)C(=O)N 240690a_100000229939_100011215815 [0,2,0,0,0,0|1,0,1]=4 13191 B13R0.150 CCCCCCCCNC(=O)C(C)C 11a_100000229939_100000210198 [0,2,0,0,0,0|2,0,0]=4 13192 B13R0.150 CCCCCCCCNC(=O)C(C)C 1626a_100000229939_100000210198 [0,2,0,0,0,0|2,0,0]=4 13193 B13R0.150 CCCCCCCCNC(=O)C(C)C 240690a_100000229939_100000210198 [0,2,0,0,0,0|2,0,0]=4 13194 B13R0.150 CCCCCCCCNC(=O)C(C)C 527a_100000229939_100000210198 [0,2,0,0,0,0|2,0,0]=4 13195 B13R0.150 CCCCCCCCNC(=O)C(C)F 11a_100000229939_100000062450 [0,2,0,0,0,0|2,0,0]=4 13196 B13R0.150 CCCCCCCCNC(=O)C(C)F 1626a_100000229939_100000062450 [0,2,0,0,0,0|2,0,0]=4 13197 B13R0.150 CCCCCCCCNC(=O)C(C)F 240690a_100000229939_100000062450 [0,2,0,0,0,0|2,0,0]=4 13198 B13R0.150 CCCCCCCCNC(=O)C(C)F 527a_100000229939_100000062450 [0,2,0,0,0,0|2,0,0]=4 13199 B13R0.150 CCCCCCCCNC(=O)C(F)F 11a_100000229939_100000210393 [0,2,0,0,0,0|2,0,0]=4 13200 B13R0.150 CCCCCCCCNC(=O)C(F)F 1626a_100000229939_100000210393 [0,2,0,0,0,0|2,0,0]=4 13201 B13R0.150 CCCCCCCCNC(=O)C(F)F 240690a_100000229939_100000210393 [0,2,0,0,0,0|2,0,0]=4 13202 B13R0.150 CCCCCCCCNC(=O)C(F)F 527a_100000229939_100000210393 [0,2,0,0,0,0|2,0,0]=4 13203 B13R0.150 CCCCCCCCNC(=O)C(O)O 240690a_100000229939_100000233687 [0,2,0,0,0,0|1,0,0]=3 13204 B13R0.150 CCCCCCCCNC(=O)N(C)C 2708a_100000229939_100102631434 [0,2,0,0,0,0|2,0,0]=4 13205 B13R0.150 CCCCCCCCNC(=O)[C@@H](C)O 240690a_100000229939_100000717761 [0,2,0,0,0,0|1,0,0]=3 13206 B13R0.150 CCCCCCCCNC(=O)[C@H](C)O 1626a_100000229939_217856618621 [0,2,0,0,0,0|1,0,0]=3 13207 B13R0.150 CCCCCCCCNC(=O)[C@H](C)O 240690a_100000229939_217856618621 [0,2,0,0,0,0|1,0,0]=3 13208 B13R0.150 CCCCCCCCNC(C)C(=O)C 2230a_100000229939_100009814033 [0,2,0,0,0,0|1,0,0]=3 13209 B13R0.150 CCCCCCCCNC(C)C(=O)N 2230a_100000229939_100000702099 [0,2,0,0,0,0|1,0,0]=3 13210 B13R0.150 CCCCCCCCNC(C)C(=O)N 34a_100000229939_100000702099 [0,2,0,0,0,0|1,0,0]=3 13211 B13R0.150 CCCCCCCCNC(F)C(=O)N 2230a_100000229939_100009813875 [0,2,0,0,0,0|1,0,0]=3 13212 B13R0.150 CCCCCCCCNC(F)C(=O)N 34a_100000229939_100009813875 [0,2,0,0,0,0|1,0,0]=3 13213 B13R0.150 CCCCCCCCNC(F)C(=O)[O-] 34a_100000229939_100020610796 [0,2,0,0,0,0|0,0,1]=3 13214 B13R0.150 CCCCCCCCN[C@@H](C)C(=O)O 269956a_100000743915_100000210759 [0,2,0,0,0,0|0,0,0]=2 13215 B13R0.150 CCCCCCCCN[C@H](C)C(=O)N 2230a_100000119354_100000210759 [0,2,0,0,0,0|1,0,0]=3 13216 B13R0.150 CCCCCCCCN[C@H](C)C(=O)N 34a_100000119354_100000210759 [0,2,0,0,0,0|1,0,0]=3 13217 B13R0.150 CCCCCCCCOC(C)C(=O)C 34a_100000212229_100000210759 [0,2,0,0,0,0|1,0,0]=3 13218 B13R0.150 CCCCCCCCOC(C)C(=O)C 7a_100000210232_100000179758 [0,2,0,0,0,0|1,0,0]=3 13219 B13R0.150 CCCCCCCCOC(C)C(=O)N 34a_100000210232_100000702099 [0,2,0,0,0,0|1,0,0]=3 13220 B13R0.150 CCCCCCCCOC(C)C(=O)N 7a_100000210232_100000702099 [0,2,0,0,0,0|1,0,0]=3 13221 B13R0.150 CCCCCCCCOC(F)C(=O)N 34a_100000210232_100009813875 [0,2,0,0,0,0|1,0,0]=3 13222 B13R0.150 CCCCCCCCOC(F)C(=O)N 7a_100000210232_100009813875 [0,2,0,0,0,0|1,0,0]=3 13223 B13R0.150 CCCCCCCCOC(F)C(=O)[O-] 34a_100000210232_100020610796 [0,2,0,0,0,0|0,0,1]=3 13224 B13R0.150 CCCCCCCCO[C@@H](C)C(=O)[O-] 7a_217856618621_100000210759 [0,2,0,0,0,0|0,0,1]=3 13225 B13R0.150 CCCCCCCCO[C@H](C)C(=O)N 34a_100000731257_100000210759 [0,2,0,0,0,0|1,0,0]=3 13226 B13R0.150 CCCCCCCCO[C@H](C)C(=O)N 7a_100000731257_100000210759 [0,2,0,0,0,0|1,0,0]=3 13227 B13R0.150 CCCCCCCCSC(C)C(=O)C 62a_100000210759_100009814033 [0,2,0,0,0,0|1,0,0]=3 13228 B13R0.150 CCCCCCCCSC(C)C(=O)C 62a_100009814033_100000210317 [0,2,0,0,0,0|1,0,0]=3 13229 B13R0.150 CCCCCCCCSC(C)C(=O)N 62a_100000210759_100000702099 [0,2,0,0,0,0|1,0,0]=3 13230 B13R0.150 CCCCCCCCSC(C)C(=O)N 62a_100000702099_100000210317 [0,2,0,0,0,0|1,0,0]=3 13231 B13R0.150 CCCCCCCCSC(F)C(=O)N 62a_100000210759_100009813875 [0,2,0,0,0,0|1,0,0]=3 13232 B13R0.150 CCCCCCCCSC(F)C(=O)N 62a_100009813875_100000210317 [0,2,0,0,0,0|1,0,0]=3 13233 B13R0.150 CCCCCCCCSC(F)C(=O)[O-] 62a_100000210759_100020610796 [0,2,0,0,0,0|0,0,1]=3 13234 B13R0.150 CCCCCCCCSC(F)C(=O)[O-] 62a_100020610796_100000210317 [0,2,0,0,0,0|0,0,1]=3 13235 B13R0.150 CCCCCCCNCC(=O)C(C)C 2230a_100000229938_100000753385 [0,2,0,0,0,0|2,0,0]=4 13236 B13R0.150 CCCCCCCNCC(=O)N(C)C 2230a_100000229938_100000185267 [0,2,0,0,0,0|2,0,0]=4 13237 B13R0.150 CCCCCCCNCC(=O)N(C)C 2230a_100015183351_100000210681 [0,2,0,0,0,0|2,0,0]=4 13238 B13R0.150 CCCCCCCNCC(C)C(=O)O 269956a_100000749485_100000210614 [0,2,0,0,0,0|0,0,0]=2 13239 B13R0.150 CCCCCCCNCC(F)C(=O)O 269956a_100000084737_100000210614 [0,2,0,0,0,0|0,0,0]=2 13240 B13R0.150 CCCCCCCOCC(=O)C(=O)C 34a_100000210272_100011261029 [0,2,0,0,0,0|1,0,1]=4 13241 B13R0.150 CCCCCCCOCC(=O)C(C)C 34a_100000210272_100000753385 [0,2,0,0,0,0|2,0,0]=4 13242 B13R0.150 CCCCCCCOCC(=O)C(C)C 7a_100000210272_100000753385 [0,2,0,0,0,0|2,0,0]=4 13243 B13R0.150 CCCCCCCOCC(=O)N(C)C 34a_100000210272_100000692301 [0,2,0,0,0,0|2,0,0]=4 13244 B13R0.150 CCCCCCCOCC(=O)N(C)C 7a_100000210272_100000692301 [0,2,0,0,0,0|2,0,0]=4 13245 B13R0.150 CCCCCCCOCC(C)C(=O)C 34a_100000032740_100000210614 [0,2,0,0,0,0|1,0,0]=3 13246 B13R0.150 CCCCCCCOCC(C)C(=O)C 7a_100000032740_100000210614 [0,2,0,0,0,0|1,0,0]=3 13247 B13R0.150 CCCCCCCOCC(C)[N+](=O)[O-] 34a_100000039676_100000210614 [0,2,0,0,0,0|1,0,1]=4 13248 B13R0.150 CCCCCCCOCC(C)[N+](=O)[O-] 7a_100000039676_100000210614 [0,2,0,0,0,0|1,0,1]=4 13249 B13R0.150 CCCCCCCOC[C@H](N)C(=O)N 34a_100000729942_100000210614 [0,2,0,0,0,0|1,0,0]=3 13250 B13R0.150 CCCCCCCSCC(=O)C(=O)C 62a_100000210614_100011261029 [0,2,0,0,0,0|1,0,1]=4 13251 B13R0.150 CCCCCCCSCC(=O)C(=O)C 62a_100011261029_100000210316 [0,2,0,0,0,0|1,0,1]=4 13252 B13R0.150 CCCCCCCSCC(=O)C(C)C 62a_100000210614_100000753385 [0,2,0,0,0,0|2,0,0]=4 13253 B13R0.150 CCCCCCCSCC(=O)C(C)C 62a_100000753385_100000210316 [0,2,0,0,0,0|2,0,0]=4 13254 B13R0.150 CCCCCCCSCC(=O)N(C)C 62a_100000210614_100000692301 [0,2,0,0,0,0|2,0,0]=4 13255 B13R0.150 CCCCCCCSCC(=O)N(C)C 62a_100000692301_100000210316 [0,2,0,0,0,0|2,0,0]=4 13256 B13R0.150 CCCCCCNCCC(=O)N(C)C 2230a_100000210581_100000737620 [0,2,0,0,0,0|2,0,0]=4 13257 B13R0.150 CCCCCCNCCC(=O)N(C)C 2230a_100000738053_100000210314 [0,2,0,0,0,0|2,0,0]=4 13258 B13R0.150 CCCCCCOCCC(=O)N(C)C 34a_200000747469_100000210314 [0,2,0,0,0,0|2,0,0]=4 13259 B13R0.150 CCCCCCOCCC(=O)N(C)C 7a_100000210259_100000737620 [0,2,0,0,0,0|2,0,0]=4 13260 B13R0.150 CCCCCCSCCC(=O)N(C)C 62a_100000210314_100000737620 [0,2,0,0,0,0|2,0,0]=4 13261 B13R0.150 CCCCCCSCCC(=O)N(C)C 62a_100000737620_100000210757 [0,2,0,0,0,0|2,0,0]=4 13262 B13R0.150 CCCCCNCCCC(=O)N(C)C 2230a_100000209983_100000737642 [0,2,0,0,0,0|2,0,0]=4 13263 B13R0.150 CCCCCNCCCC(=O)N(C)C 2230a_200000744827_100000210326 [0,2,0,0,0,0|2,0,0]=4 13264 B13R0.150 CCCCCNCCOC(C)C(=O)N 34a_100000224656_100000702099 [0,2,0,0,0,0|2,0,0]=4 13265 B13R0.150 CCCCCNCCOC(F)C(=O)N 34a_100000224656_100009813875 [0,2,0,0,0,0|2,0,0]=4 13266 B13R0.150 CCCCCNCCOC(F)C(=O)[O-] 34a_100000224656_100020610796 [0,2,0,0,0,0|1,0,1]=4 13267 B13R0.150 CCCCCOCCCC(=O)N(C)C 7a_100000210253_100000737642 [0,2,0,0,0,0|2,0,0]=4 13268 B13R0.150 CCCCCOCCOC(C)C(=O)C 7a_100011215259_100000179758 [0,2,0,0,0,0|2,0,0]=4 13269 B13R0.150 CCCCCOCCOC(C)C(=O)N 34a_100011215259_100000702099 [0,2,0,0,0,0|2,0,0]=4 13270 B13R0.150 CCCCCOCCOC(C)C(=O)N 7a_100011215259_100000702099 [0,2,0,0,0,0|2,0,0]=4 13271 B13R0.150 CCCCCOCCOC(F)C(=O)N 34a_100011215259_100009813875 [0,2,0,0,0,0|2,0,0]=4 13272 B13R0.150 CCCCCOCCOC(F)C(=O)N 7a_100011215259_100009813875 [0,2,0,0,0,0|2,0,0]=4 13273 B13R0.150 CCCCCOCCOC(F)C(=O)[O-] 34a_100011215259_100020610796 [0,2,0,0,0,0|1,0,1]=4 13274 B13R0.150 CCCCCSCCCC(=O)N(C)C 62a_100000210326_100000737642 [0,2,0,0,0,0|2,0,0]=4 13275 B13R0.150 CCCCCSCCCC(=O)N(C)C 62a_100000737642_100000210326 [0,2,0,0,0,0|2,0,0]=4 13276 B13R0.150 CCCCNCCCCC(=O)N(C)C 7a_106832991798_100000752486 [0,2,0,0,0,0|2,0,0]=4 13277 B13R0.150 CCCCOCCCCC(=O)N(C)C 34a_100000210227_100000752486 [0,2,0,0,0,0|2,0,0]=4 13278 B13R0.150 CCCCOCCCCC(=O)N(C)C 7a_100000210227_100000752486 [0,2,0,0,0,0|2,0,0]=4 13279 B13R0.150 CCCCOCCCNC(=O)C(O)O 240690a_200000211371_100000233687 [0,2,0,0,0,0|2,0,0]=4 13280 B13R0.150 CCCCOCCCNC(=O)[C@@H](C)O 240690a_200000211371_100000717761 [0,2,0,0,0,0|2,0,0]=4 13281 B13R0.150 CCCCOCCCNC(=O)[C@H](C)O 1626a_200000211371_217856618621 [0,2,0,0,0,0|2,0,0]=4 13282 B13R0.150 CCCCOCCCNC(=O)[C@H](C)O 240690a_200000211371_217856618621 [0,2,0,0,0,0|2,0,0]=4 13283 B13R0.150 CCCCOCCCNC(C)C(=O)C 2230a_200000211371_100009814033 [0,2,0,0,0,0|2,0,0]=4 13284 B13R0.150 CCCCOCCCNC(C)C(=O)N 2230a_200000211371_100000702099 [0,2,0,0,0,0|2,0,0]=4 13285 B13R0.150 CCCCOCCCNC(C)C(=O)N 34a_200000211371_100000702099 [0,2,0,0,0,0|2,0,0]=4 13286 B13R0.150 CCCCOCCCNC(F)C(=O)N 2230a_200000211371_100009813875 [0,2,0,0,0,0|2,0,0]=4 13287 B13R0.150 CCCCOCCCNC(F)C(=O)N 34a_200000211371_100009813875 [0,2,0,0,0,0|2,0,0]=4 13288 B13R0.150 CCCCOCCCNC(F)C(=O)[O-] 34a_200000211371_100020610796 [0,2,0,0,0,0|1,0,1]=4 13289 B13R0.150 CCCCOCCCOC(C)C(=O)C 7a_200011215613_100000179758 [0,2,0,0,0,0|2,0,0]=4 13290 B13R0.150 CCCCOCCCOC(C)C(=O)N 34a_200011215613_100000702099 [0,2,0,0,0,0|2,0,0]=4 13291 B13R0.150 CCCCOCCCOC(C)C(=O)N 7a_200011215613_100000702099 [0,2,0,0,0,0|2,0,0]=4 13292 B13R0.150 CCCCOCCCOC(F)C(=O)N 34a_200011215613_100009813875 [0,2,0,0,0,0|2,0,0]=4 13293 B13R0.150 CCCCOCCCOC(F)C(=O)N 7a_200011215613_100009813875 [0,2,0,0,0,0|2,0,0]=4 13294 B13R0.150 CCCCOCCCOC(F)C(=O)[O-] 34a_200011215613_100020610796 [0,2,0,0,0,0|1,0,1]=4 13295 B13R0.150 CCCCOCCNCC(C)C(=O)O 269956a_100000749485_100000743108 [0,2,0,0,0,0|1,0,0]=3 13296 B13R0.150 CCCCOCCNCC(F)C(=O)O 269956a_100000084737_100000743108 [0,2,0,0,0,0|1,0,0]=3 13297 B13R0.150 CCCCOCCOCC(C)C(=O)C 34a_100000032740_100000743108 [0,2,0,0,0,0|2,0,0]=4 13298 B13R0.150 CCCCOCCOCC(C)C(=O)C 7a_100000032740_100000743108 [0,2,0,0,0,0|2,0,0]=4 13299 B13R0.150 CCCCOCCOC[C@H](N)C(=O)N 34a_100000729942_100000743108 [0,2,0,0,0,0|2,0,0]=4 13300 B13R0.150 CCCCSCCCCC(=O)N(C)C 62a_100000210211_100000752486 [0,2,0,0,0,0|2,0,0]=4 13301 B13R0.150 CCCCSCCCCC(=O)N(C)C 62a_100000752486_100000210210 [0,2,0,0,0,0|2,0,0]=4 13302 B13R0.150 CCOCCOCCN[C@@H](C)C(=O)O 269956a_100000743915_100011211534 [0,2,0,0,0,0|2,0,0]=4 13303 B13R0.150 CN(C)C(=O)CCCCCCCCO 240690a_100102631434_100000015970 [0,2,0,0,0,0|2,0,0]=4 13304 B13R0.150 COCCCCCCN[C@@H](C)C(=O)O 269956a_100000743915_100011998445 [0,2,0,0,0,0|1,0,0]=3 13305 B13R0.150 COCCCCCCN[C@H](C)C(=O)N 2230a_100000119354_100011998445 [0,2,0,0,0,0|2,0,0]=4 13306 B13R0.150 COCCCCCCN[C@H](C)C(=O)N 34a_100000119354_100011998445 [0,2,0,0,0,0|2,0,0]=4 13307 B13R0.150 COCCCCCCOC(C)C(=O)C 34a_100000212229_100011998445 [0,2,0,0,0,0|2,0,0]=4 13308 B13R0.150 COCCCCCCOC(C)C(=O)C 7a_200012092642_100000179758 [0,2,0,0,0,0|2,0,0]=4 13309 B13R0.150 COCCCCCCOC(C)C(=O)N 34a_200012092642_100000702099 [0,2,0,0,0,0|2,0,0]=4 13310 B13R0.150 COCCCCCCOC(C)C(=O)N 7a_200012092642_100000702099 [0,2,0,0,0,0|2,0,0]=4 13311 B13R0.150 COCCCCCCOC(F)C(=O)N 34a_200012092642_100009813875 [0,2,0,0,0,0|2,0,0]=4 13312 B13R0.150 COCCCCCCOC(F)C(=O)N 7a_200012092642_100009813875 [0,2,0,0,0,0|2,0,0]=4 13313 B13R0.150 COCCCCCCOC(F)C(=O)[O-] 34a_200012092642_100020610796 [0,2,0,0,0,0|1,0,1]=4 13314 B13R0.150 COCCCCCCO[C@@H](C)C(=O)[O-] 7a_217856618621_100011998445 [0,2,0,0,0,0|1,0,1]=4 13315 B13R0.150 COCCCCCCO[C@H](C)C(=O)N 34a_100000731257_100011998445 [0,2,0,0,0,0|2,0,0]=4 13316 B13R0.150 COCCCCCCO[C@H](C)C(=O)N 7a_100000731257_100011998445 [0,2,0,0,0,0|2,0,0]=4 13317 B13R0.150 COCCCCCCSC(C)C(=O)C 62a_100009814033_100011998445 [0,2,0,0,0,0|2,0,0]=4 13318 B13R0.150 COCCCCCCSC(C)C(=O)C 62a_100011998445_100009814033 [0,2,0,0,0,0|2,0,0]=4 13319 B13R0.150 COCCCCCCSC(C)C(=O)N 62a_100000702099_100011998445 [0,2,0,0,0,0|2,0,0]=4 13320 B13R0.150 COCCCCCCSC(C)C(=O)N 62a_100011998445_100000702099 [0,2,0,0,0,0|2,0,0]=4 13321 B13R0.150 COCCCCCCSC(F)C(=O)N 62a_100009813875_100011998445 [0,2,0,0,0,0|2,0,0]=4 13322 B13R0.150 COCCCCCCSC(F)C(=O)N 62a_100011998445_100009813875 [0,2,0,0,0,0|2,0,0]=4 13323 B13R0.150 COCCCCCCSC(F)C(=O)[O-] 62a_100011998445_100020610796 [0,2,0,0,0,0|1,0,1]=4 13324 B13R0.150 COCCCCCCSC(F)C(=O)[O-] 62a_100020610796_100011998445 [0,2,0,0,0,0|1,0,1]=4 13325 B13R0.150 COCCOCCCN[C@@H](C)C(=O)O 269956a_100000743915_100011216529 [0,2,0,0,0,0|2,0,0]=4 13326 B13R0.150 COCCOCCNCC(C)C(=O)O 269956a_100000749485_100000695917 [0,2,0,0,0,0|2,0,0]=4 13327 B13R0.150 COCCOCCNCC(F)C(=O)O 269956a_100000084737_100000695917 [0,2,0,0,0,0|2,0,0]=4 13328 B13R0.150 C[C@@H](NCCCCCCCO)C(=O)N 2230a_100000119354_100000760002 [0,2,0,0,0,0|2,0,0]=4 13329 B13R0.150 C[C@@H](NCCCCCCCO)C(=O)N 34a_100000119354_100000760002 [0,2,0,0,0,0|2,0,0]=4 13330 B13R0.150 C[C@@H](O)C(=O)CCCCCCCCO 1458a_100000717761_100000033203 [0,2,0,0,0,0|1,0,0]=3 13331 B13R0.150 C[C@@H](O)C(=O)NCCCCCCCO 240690a_100011996573_100000717761 [0,2,0,0,0,0|2,0,0]=4 13332 B13R0.150 C[C@@H](OCCCCCCCO)C(=O)N 34a_100000731257_100000760002 [0,2,0,0,0,0|2,0,0]=4 13333 B13R0.150 C[C@@H](OCCCCCCCO)C(=O)N 7a_100000731257_100000760002 [0,2,0,0,0,0|2,0,0]=4 13334 B13R0.150 C[C@H](NCCCCCCC#N)C(=O)O 269956a_100000743915_100009813337 [0,2,0,0,0,0|1,0,1]=4 13335 B13R0.150 C[C@H](NCCCCCCCO)C(=O)O 269956a_100000743915_100000760002 [0,2,0,0,0,0|1,0,0]=3 13336 B13R0.150 C[C@H](O)C(=O)CCCCCCCCO 1458a_217856618621_100000033203 [0,2,0,0,0,0|1,0,0]=3 13337 B13R0.150 C[C@H](O)C(=O)NCCCCCCCO 240690a_100011996573_217856618621 [0,2,0,0,0,0|2,0,0]=4 13338 B13R0.150 C[C@H](OCCCCCCCO)C(=O)[O-] 7a_217856618621_100000760002 [0,2,0,0,0,0|1,0,1]=4 13339 B13R0.150 N#CCCCCCNCC(F)C(=O)O 269956a_100000084737_100009813376 [0,2,0,0,0,0|1,0,1]=4 13340 B13R0.150 NC(=O)C(F)NCCCCCCCO 2230a_100011996573_100009813875 [0,2,0,0,0,0|2,0,0]=4 13341 B13R0.150 NC(=O)C(F)NCCCCCCCO 34a_100011996573_100009813875 [0,2,0,0,0,0|2,0,0]=4 13342 B13R0.150 NC(=O)C(F)OCCCCCCCBr 34a_100000760002_100009813875 [0,2,0,0,0,0|2,0,0]=4 13343 B13R0.150 NC(=O)C(F)OCCCCCCCBr 7a_100000760002_100009813875 [0,2,0,0,0,0|2,0,0]=4 13344 B13R0.150 NC(=O)C(F)SCCCCCCCO 62a_100000760002_100009813875 [0,2,0,0,0,0|2,0,0]=4 13345 B13R0.150 NC(=O)C(F)SCCCCCCCO 62a_100009813875_100000760002 [0,2,0,0,0,0|2,0,0]=4 13346 B13R0.150 NC(=O)[C@@H](N)COCCCCCCF 34a_100000729942_100015922095 [0,2,0,0,0,0|2,0,0]=4 13347 B13R0.150 NC(=O)[C@@H](N)COCCCCCCO 34a_100000729942_100000766143 [0,2,0,0,0,0|2,0,0]=4 13348 B13R0.150 NCCCCCCCOC(F)C(=O)N 34a_100011996573_100009813875 [0,2,0,0,0,0|2,0,0]=4 13349 B13R0.150 NCCCCCCCOC(F)C(=O)[O-] 34a_100011996573_100020610796 [0,2,0,0,0,0|1,0,1]=4 13350 B13R0.150 O=C(CCCCCCCCO)C(O)O 1458a_100000233687_100000033203 [0,2,0,0,0,0|1,0,0]=3 13351 B13R0.150 O=C(NCCCCCCCO)C(O)O 240690a_100011996573_100000233687 [0,2,0,0,0,0|2,0,0]=4 13352 B13R0.150 O=C(O)C(F)CNCCCCCCF 269956a_100000084737_100015922095 [0,2,0,0,0,0|1,0,0]=3 13353 B13R0.150 O=C(O)C(F)CNCCCCCCO 269956a_100000084737_100000766143 [0,2,0,0,0,0|1,0,0]=3 13354 B13R0.150 O=C([O-])C(F)NCCCCCCCO 34a_100011996573_100020610796 [0,2,0,0,0,0|1,0,1]=4 13355 B13R0.150 O=C([O-])C(F)OCCCCCCCBr 34a_100000760002_100020610796 [0,2,0,0,0,0|1,0,1]=4 13356 B13R0.150 O=C([O-])C(F)SCCCCCCCO 62a_100000760002_100020610796 [0,2,0,0,0,0|1,0,1]=4 13357 B13R0.150 O=C([O-])C(F)SCCCCCCCO 62a_100020610796_100000760002 [0,2,0,0,0,0|1,0,1]=4 13358 B13R0.150 O=CCCCCCNCC(F)C(=O)O 269956a_100000084737_100000139337 [0,2,0,0,0,0|1,0,1]=4 13359 B13R0.154 C=C(C)CCC(=O)CCCCCCC 1458a_100000211969_100000730704 [0,2,0,0,0,0|2,0,0]=4 13360 B13R0.154 C=C(C)CCC(=O)CCCCCCC 1458a_200000688413_100000210614 [0,2,0,0,0,0|2,0,0]=4 13361 B13R0.154 C=C(C)CCC(C)NCCCCCC 270004a_100000210581_100011215600 [0,2,0,0,0,0|2,0,0]=4 13362 B13R0.154 C=C(C)CCN(C)CCCCCCC 2230a_100000228206_100000730704 [0,2,0,0,0,0|2,0,0]=4 13363 B13R0.154 C=C(C)CCN(C)CCCCCCC 269982a_100000228206_100000730704 [0,2,0,0,0,0|2,0,0]=4 13364 B13R0.154 C=C(C)COC(C)CCCCCCC 34a_100000210245_200011218727 [0,2,0,0,0,0|2,0,0]=4 13365 B13R0.154 C=C(C)COC(C)CCCCCCC 34a_200011215852_100000748629 [0,2,0,0,0,0|2,0,0]=4 13366 B13R0.154 C=C(C)COC(C)CCCCCCC 7a_200011215852_100000748629 [0,2,0,0,0,0|2,0,0]=4 13367 B13R0.154 C=C(C)CSC(C)CCCCCCC 62a_100000748629_200011218727 [0,2,0,0,0,0|2,0,0]=4 13368 B13R0.154 C=C(C)CSC(C)CCCCCCC 62a_200011218727_100000211660 [0,2,0,0,0,0|2,0,0]=4 13369 B13R0.154 C=C(F)COC(C)CCCCCCC 34a_200010262243_200011218727 [0,2,0,0,0,0|2,0,0]=4 13370 B13R0.154 C=C(F)COC(C)CCCCCCC 34a_200011215852_100009893438 [0,2,0,0,0,0|2,0,0]=4 13371 B13R0.154 C=C(F)COC(C)CCCCCCC 7a_200011215852_100000042424 [0,2,0,0,0,0|2,0,0]=4 13372 B13R0.154 C=C(F)CSC(C)CCCCCCC 62a_100000042424_200011218727 [0,2,0,0,0,0|2,0,0]=4 13373 B13R0.154 C=C(F)CSC(C)CCCCCCC 62a_200011218727_100000042424 [0,2,0,0,0,0|2,0,0]=4 13374 B13R0.154 CCCCCCCC(=O)CCC(=O)N 1458a_100011215257_100000210614 [0,2,0,0,0,0|1,0,0]=3 13375 B13R0.154 CCCCCCCC(=O)CCC(C)O 1458a_100000211969_100012276601 [0,2,0,0,0,0|1,0,1]=4 13376 B13R0.154 CCCCCCCC(=O)CC[N+](=O)[O-] 1458a_200000064761_100000210614 [0,2,0,0,0,0|1,0,1]=4 13377 B13R0.154 CCCCCCCC(=O)CNC(=O)C 1458a_100000194580_100000210614 [0,2,0,0,0,0|1,0,1]=4 13378 B13R0.154 CCCCCCCC(=O)CNC(=O)N 1458a_100000184981_100000210614 [0,2,0,0,0,0|1,0,1]=4 13379 B13R0.154 CCCCCCCC(=O)COC(=O)C 1458a_100000183556_100000210614 [0,2,0,0,0,0|1,0,1]=4 13380 B13R0.154 CCCCCCCC(=O)CSC(=O)C 1458a_100000049016_100000210614 [0,2,0,0,0,0|1,0,1]=4 13381 B13R0.154 CCCCCCCC(=O)NCC(=O)C 1458a_100000691742_200000210301 [0,2,0,0,0,0|1,0,1]=4 13382 B13R0.154 CCCCCCCC(=O)NCC(=O)N 11a_100000711301_100000211969 [0,2,0,0,0,0|1,0,1]=4 13383 B13R0.154 CCCCCCCC(=O)NCC(=O)N 240690a_100000711301_100000211969 [0,2,0,0,0,0|1,0,1]=4 13384 B13R0.154 CCCCCCCC(=O)NCC(=O)N 527a_100000711301_100000211969 [0,2,0,0,0,0|1,0,1]=4 13385 B13R0.154 CCCCCCCC(=O)NCC(=O)[13CH3] 1458a_100000691742_200025704644 [0,2,0,0,0,0|1,0,1]=4 13386 B13R0.154 CCCCCCCC(=O)OCC(=O)C 1458a_100000070787_100009852258 [0,2,0,0,0,0|1,0,1]=4 13387 B13R0.154 CCCCCCCC(C)NCC(=O)N 2230a_100000711301_200011218727 [0,2,0,0,0,0|1,0,0]=3 13388 B13R0.154 CCCCCCCC(C)NCC(=O)O 269956a_100016091260_200011218727 [0,2,0,0,0,0|0,0,0]=2 13389 B13R0.154 CCCCCCCC(C)NCC(C)O 2230a_100000210904_200011218727 [0,2,0,0,0,0|1,0,1]=4 13390 B13R0.154 CCCCCCCC(C)NCC(C)O 270004a_100000210904_100000210596 [0,2,0,0,0,0|1,0,1]=4 13391 B13R0.154 CCCCCCCC(C)NCC(C)O 34a_100000210904_200011218727 [0,2,0,0,0,0|1,0,1]=4 13392 B13R0.154 CCCCCCCC(C)OCC(=O)C 34a_100000211253_200011218727 [0,2,0,0,0,0|1,0,0]=3 13393 B13R0.154 CCCCCCCC(C)OCC(=O)N 34a_200011215852_100000187820 [0,2,0,0,0,0|1,0,0]=3 13394 B13R0.154 CCCCCCCC(C)OCC(=O)N 7a_200011215852_100000187820 [0,2,0,0,0,0|1,0,0]=3 13395 B13R0.154 CCCCCCCC(C)OCC(=O)[O-] 34a_200011215852_100020667443 [0,2,0,0,0,0|0,0,1]=3 13396 B13R0.154 CCCCCCCC(C)OCC(C)O 34a_200011215852_100011218427 [0,2,0,0,0,0|1,0,1]=4 13397 B13R0.154 CCCCCCCC(C)OCC(C)O 7a_200011215852_100011218427 [0,2,0,0,0,0|1,0,1]=4 13398 B13R0.154 CCCCCCCC(C)OC[C@@H](C)O 34a_200011215852_100009817552 [0,2,0,0,0,0|1,0,1]=4 13399 B13R0.154 CCCCCCCC(C)OC[C@@H](C)O 7a_200011215852_100009817552 [0,2,0,0,0,0|1,0,1]=4 13400 B13R0.154 CCCCCCCC(C)OC[N+](=O)[O-] 34a_200011215852_100000761209 [0,2,0,0,0,0|1,0,1]=4 13401 B13R0.154 CCCCCCCC(C)SCC(=O)N 62a_100000747473_200011218727 [0,2,0,0,0,0|1,0,0]=3 13402 B13R0.154 CCCCCCCC(C)SCC(=O)N 62a_200011218727_100000747473 [0,2,0,0,0,0|1,0,0]=3 13403 B13R0.154 CCCCCCCC(C)SCC(=O)[O-] 62a_100020667443_200011218727 [0,2,0,0,0,0|0,0,1]=3 13404 B13R0.154 CCCCCCCC(C)SCC(=O)[O-] 62a_200011218727_100020667443 [0,2,0,0,0,0|0,0,1]=3 13405 B13R0.154 CCCCCCCC(C)SCC(C)O 62a_100011218427_200011218727 [0,2,0,0,0,0|1,0,1]=4 13406 B13R0.154 CCCCCCCC(C)SCC(C)O 62a_200011218727_100011218427 [0,2,0,0,0,0|1,0,1]=4 13407 B13R0.154 CCCCCCCC(C)SC[C@@H](C)O 62a_100009817552_200011218727 [0,2,0,0,0,0|1,0,1]=4 13408 B13R0.154 CCCCCCCC(C)SC[C@@H](C)O 62a_200011218727_100009817552 [0,2,0,0,0,0|1,0,1]=4 13409 B13R0.154 CCCCCCCC(C)SC[N+](=O)[O-] 62a_200011218727_100000761209 [0,2,0,0,0,0|1,0,1]=4 13410 B13R0.154 CCCCCCCN(C)CCC(=O)C 269982a_100000228206_100000053229 [0,2,0,0,0,0|1,0,0]=3 13411 B13R0.154 CCCCCCCN(C)CCC(=O)N 2230a_100000228206_100000744528 [0,2,0,0,0,0|1,0,0]=3 13412 B13R0.154 CCCCCCCN(C)CCC(=O)N 2230a_100000730477_100000210681 [0,2,0,0,0,0|1,0,0]=3 13413 B13R0.154 CCCCCCCN(C)CCC(=O)N 269982a_100000228206_100000744528 [0,2,0,0,0,0|1,0,0]=3 13414 B13R0.154 CCCCCCCN(C)CCC(C)O 2230a_100000228206_100012276601 [0,2,0,0,0,0|1,0,1]=4 13415 B13R0.154 CCCCCCCN(C)CCC(C)O 269982a_100000228206_100012276601 [0,2,0,0,0,0|1,0,1]=4 13416 B13R0.154 CCCCCCCN(C)COC(=O)C 269982a_100000228206_100000076356 [0,2,0,0,0,0|2,0,0]=4 13417 B13R0.154 CCCCCCNC(=O)CCC(=O)N 240690a_100000210581_100011215257 [0,2,0,0,0,0|1,0,1]=4 13418 B13R0.154 CCCCCCNC(=O)CCC(=O)N 527a_100000210581_100011215257 [0,2,0,0,0,0|1,0,1]=4 13419 B13R0.154 CCCCCCNC(C)COC(=O)C 270004a_100000210581_100000000629 [0,2,0,0,0,0|2,0,0]=4 13420 B13R0.154 CCCCCNCC(=O)NCC(=O)O 269956a_100000183575_100000210326 [0,2,0,0,0,0|1,0,1]=4 13421 B13R0.154 CCCCCNCC(C)CSC(=O)C 2230a_100000209983_200000116872 [0,2,0,0,0,0|2,0,0]=4 13422 B13R0.154 CCCCCOCC(C)CSC(=O)C 34a_100000210253_200000116872 [0,2,0,0,0,0|2,0,0]=4 13423 B13R0.154 CCCCCOCC(C)CSC(=O)C 7a_100000210253_200000116872 [0,2,0,0,0,0|2,0,0]=4 13424 B13R0.154 CCCCCOCC(O)COC(=O)C 34a_100000210253_200000139349 [0,2,0,0,0,0|2,0,0]=4 13425 B13R0.154 CCCCCOCC(O)COC(=O)C 7a_100000210253_200000139349 [0,2,0,0,0,0|2,0,0]=4 13426 B13R0.154 CCCCCSCC(C)CSC(=O)C 62a_100000210326_200000116872 [0,2,0,0,0,0|2,0,0]=4 13427 B13R0.154 CCCCCSCC(C)CSC(=O)C 62a_200000116872_100000210326 [0,2,0,0,0,0|2,0,0]=4 13428 B13R0.154 CCCCCSCC(O)COC(=O)C 62a_100000210326_200000139349 [0,2,0,0,0,0|2,0,0]=4 13429 B13R0.154 CCCCCSCC(O)COC(=O)C 62a_200000139349_100000210326 [0,2,0,0,0,0|2,0,0]=4 13430 B13R0.154 CCCCNCCC(=O)NCC(=O)O 269956a_100000722369_100000210211 [0,2,0,0,0,0|1,0,1]=4 13431 B13R0.154 CCCCOCCC(=O)CCC(=O)N 1458a_100011215257_100000743108 [0,2,0,0,0,0|1,0,1]=4 13432 B13R0.154 CCCCOCCN(C)CCC(=O)N 2230a_100000730477_100000743108 [0,2,0,0,0,0|2,0,0]=4 13433 B13R0.154 CN(CCCCCCF)CCC(=O)N 2230a_100000730477_100015922095 [0,2,0,0,0,0|2,0,0]=4 13434 B13R0.154 CN(CCCCCCO)CCC(=O)N 2230a_100000730477_100000766143 [0,2,0,0,0,0|2,0,0]=4 13435 B13R0.154 NC(=O)CCC(=O)CCCCCCF 1458a_100011215257_100015922095 [0,2,0,0,0,0|1,0,1]=4 13436 B13R0.154 NC(=O)CCC(=O)CCCCCCO 1458a_100011215257_100000766143 [0,2,0,0,0,0|1,0,1]=4 13437 B13R0.179 C=C(Br)CCOCCCCCC(C)C 34a_100009813270_100000210682 [0,2,0,0,0,0|2,0,0]=4 13438 B13R0.179 C=C(C)CCNCCCCCC(C)C 2230a_100011290863_100000730704 [0,2,0,0,0,0|2,0,0]=4 13439 B13R0.179 C=C(C)CCNCCCCCC(C)C 34a_100011290863_100000730704 [0,2,0,0,0,0|2,0,0]=4 13440 B13R0.179 C=C(C)CCOCCCCCC(=O)N 34a_100000123541_100000730704 [0,2,0,0,0,0|1,0,1]=4 13441 B13R0.179 C=C(C)CCOCCCCCC(=O)N 34a_100000764851_100009817443 [0,2,0,0,0,0|1,0,1]=4 13442 B13R0.179 C=C(C)CCOCCCCCC(=O)N 7a_100000123541_100000730704 [0,2,0,0,0,0|1,0,1]=4 13443 B13R0.179 C=C(C)CCOCCCCCC(=O)[O-] 7a_100102619762_100000730704 [0,2,0,0,0,0|0,0,2]=4 13444 B13R0.179 C=C(C)CCOCCCCCC(C)C 34a_100000764851_100000210682 [0,2,0,0,0,0|2,0,0]=4 13445 B13R0.179 C=C(C)CCOCCCCCC(C)C 34a_100011995859_100000730704 [0,2,0,0,0,0|2,0,0]=4 13446 B13R0.179 C=C(C)CCOCCCCCC(C)C 7a_100011995859_100000730704 [0,2,0,0,0,0|2,0,0]=4 13447 B13R0.179 C=C(C)CCSCCCCCC(=O)N 62a_100000730704_100009817443 [0,2,0,0,0,0|1,0,1]=4 13448 B13R0.179 C=C(C)CCSCCCCCC(=O)N 62a_100009817443_100000730704 [0,2,0,0,0,0|1,0,1]=4 13449 B13R0.179 C=C(C)CCSCCCCCC(C)C 62a_100000210682_100000730704 [0,2,0,0,0,0|2,0,0]=4 13450 B13R0.179 C=C(C)CCSCCCCCC(C)C 62a_100000730704_100000210682 [0,2,0,0,0,0|2,0,0]=4 13451 B13R0.179 C=C(C)CNCCCCCCC(C)C 2230a_100000211014_100000748629 [0,2,0,0,0,0|2,0,0]=4 13452 B13R0.179 C=C(C)CNCCCCCCC(C)C 34a_100000211014_100000748629 [0,2,0,0,0,0|2,0,0]=4 13453 B13R0.179 C=C(F)CNCCCCCCC(C)C 2230a_100000211014_100009893438 [0,2,0,0,0,0|2,0,0]=4 13454 B13R0.179 C=C(F)CNCCCCCCC(C)C 34a_100000211014_100009893438 [0,2,0,0,0,0|2,0,0]=4 13455 B13R0.179 CC(=O)CCCCNCCCC(=O)N 34a_100000739312_100009817362 [0,2,0,0,0,0|1,0,1]=4 13456 B13R0.179 CC(=O)CCCCNCCCC(C)C 34a_200000737386_100009817362 [0,2,0,0,0,0|1,0,0]=3 13457 B13R0.179 CC(=O)CCCCNCCOC(C)C 34a_100000701111_100009817362 [0,2,0,0,0,0|2,0,0]=4 13458 B13R0.179 CC(=O)CCCCNCCSC(C)C 34a_100000731138_100009817362 [0,2,0,0,0,0|2,0,0]=4 13459 B13R0.179 CC(=O)CCCCOCCCC(=O)C 34a_100000759063_100009817362 [0,2,0,0,0,0|1,0,1]=4 13460 B13R0.179 CC(=O)CCCCOCCCC(=O)C 7a_100000759063_100000735457 [0,2,0,0,0,0|1,0,1]=4 13461 B13R0.179 CC(=O)CCCCOCCCC(C)C 34a_100000210774_100009817362 [0,2,0,0,0,0|1,0,0]=3 13462 B13R0.179 CC(=O)CCCCOCCCC(C)C 7a_100000210774_100000735457 [0,2,0,0,0,0|1,0,0]=3 13463 B13R0.179 CC(=O)CCCCOCCNC(C)C 34a_100000224655_100009817362 [0,2,0,0,0,0|2,0,0]=4 13464 B13R0.179 CC(=O)CCCCOCCOC(C)C 34a_100000211219_100009817362 [0,2,0,0,0,0|2,0,0]=4 13465 B13R0.179 CC(=O)CCCCOCCOC(C)C 7a_100000211219_100000735457 [0,2,0,0,0,0|2,0,0]=4 13466 B13R0.179 CC(=O)CCCCOCCSC(C)C 34a_200011212901_100009817362 [0,2,0,0,0,0|2,0,0]=4 13467 B13R0.179 CC(=O)CCCCOCCSC(C)C 7a_200011212901_100000735457 [0,2,0,0,0,0|2,0,0]=4 13468 B13R0.179 CC(=O)CCCCSCCCC(=O)C 62a_100000735457_100011215641 [0,2,0,0,0,0|1,0,1]=4 13469 B13R0.179 CC(=O)CCCCSCCCC(=O)C 62a_100011215641_100000735457 [0,2,0,0,0,0|1,0,1]=4 13470 B13R0.179 CC(=O)CCCCSCCCC(=O)N 62a_100000735457_100102525003 [0,2,0,0,0,0|1,0,1]=4 13471 B13R0.179 CC(=O)CCCCSCCCC(=O)N 62a_100102525003_100000735457 [0,2,0,0,0,0|1,0,1]=4 13472 B13R0.179 CC(=O)CCCCSCCCC(C)C 62a_100000735457_100011214892 [0,2,0,0,0,0|1,0,0]=3 13473 B13R0.179 CC(=O)CCCCSCCCC(C)C 62a_100011214892_100000735457 [0,2,0,0,0,0|1,0,0]=3 13474 B13R0.179 CC(=O)CCCCSCCCC(C)O 62a_100000735457_200000718107 [0,2,0,0,0,0|1,0,0]=3 13475 B13R0.179 CC(=O)CCCCSCCCC(C)O 62a_200000718107_100000735457 [0,2,0,0,0,0|1,0,0]=3 13476 B13R0.179 CC(=O)CCCCSCCCN(C)C 62a_100000735457_100000757444 [0,2,0,0,0,0|2,0,0]=4 13477 B13R0.179 CC(=O)CCCCSCCOC(C)C 62a_100000211751_100000735457 [0,2,0,0,0,0|2,0,0]=4 13478 B13R0.179 CC(=O)CCCCSCCOC(C)C 62a_100000735457_100000211751 [0,2,0,0,0,0|2,0,0]=4 13479 B13R0.179 CC(=O)CCCCSCCSC(C)C 62a_100000730970_100000735457 [0,2,0,0,0,0|2,0,0]=4 13480 B13R0.179 CC(=O)CCCCSCCSC(C)C 62a_100000735457_100000730970 [0,2,0,0,0,0|2,0,0]=4 13481 B13R0.179 CC(=O)CCCNCCCCC(=O)N 34a_100000696515_100000685027 [0,2,0,0,0,0|1,0,1]=4 13482 B13R0.179 CC(=O)CCCNCCCOC(C)C 34a_100000737246_100000685027 [0,2,0,0,0,0|2,0,0]=4 13483 B13R0.179 CC(=O)CCCNCCOCC(=O)O 269956a_100000700818_100011215641 [0,2,0,0,0,0|1,0,1]=4 13484 B13R0.179 CC(=O)CCCOCCCCC(=O)N 34a_100012022536_100000685027 [0,2,0,0,0,0|1,0,1]=4 13485 B13R0.179 CC(=O)CCCOCCCCC(=O)N 7a_100012022536_100011215641 [0,2,0,0,0,0|1,0,1]=4 13486 B13R0.179 CC(=O)CCCOCCCCC(C)C 34a_100000759063_100011216152 [0,2,0,0,0,0|1,0,0]=3 13487 B13R0.179 CC(=O)CCCOCCCCC(C)C 34a_100011214890_100000685027 [0,2,0,0,0,0|1,0,0]=3 13488 B13R0.179 CC(=O)CCCOCCCCC(C)C 7a_100000759063_100011216152 [0,2,0,0,0,0|1,0,0]=3 13489 B13R0.179 CC(=O)CCCOCCCCC(C)C 7a_100011214890_100011215641 [0,2,0,0,0,0|1,0,0]=3 13490 B13R0.179 CC(=O)CCCOCCCNC(C)C 34a_100000182298_100000685027 [0,2,0,0,0,0|2,0,0]=4 13491 B13R0.179 CC(=O)CCCOCCNCC(C)C 34a_100015185251_100000685027 [0,2,0,0,0,0|2,0,0]=4 13492 B13R0.179 CC(=O)CCCOCCOCC(C)C 34a_100000703358_100000685027 [0,2,0,0,0,0|2,0,0]=4 13493 B13R0.179 CC(=O)CCCOCCOCC(C)C 7a_100000703358_100011215641 [0,2,0,0,0,0|2,0,0]=4 13494 B13R0.179 CC(=O)CCCOCCSCC(C)C 34a_200000230437_100000685027 [0,2,0,0,0,0|2,0,0]=4 13495 B13R0.179 CC(=O)CCCOCCSCC(C)C 7a_200000230437_100011215641 [0,2,0,0,0,0|2,0,0]=4 13496 B13R0.179 CC(=O)CCCSCCCCC(C)C 62a_100011215641_100011216152 [0,2,0,0,0,0|1,0,0]=3 13497 B13R0.179 CC(=O)CCCSCCCCC(C)C 62a_100011216152_100011215641 [0,2,0,0,0,0|1,0,0]=3 13498 B13R0.179 CC(=O)CCCSCCCCN(C)C 62a_100011215641_100000690147 [0,2,0,0,0,0|2,0,0]=4 13499 B13R0.179 CC(=O)CCOCCCCCC(=O)N 34a_100000759926_100009817443 [0,2,0,0,0,0|1,0,1]=4 13500 B13R0.179 CC(=O)CCOCCCCCC(=O)N 7a_100000123541_100000053229 [0,2,0,0,0,0|1,0,1]=4 13501 B13R0.179 CC(=O)CCOCCCCCC(=O)N 7a_100000759926_100009817443 [0,2,0,0,0,0|1,0,1]=4 13502 B13R0.179 CC(=O)CCOCCCCCC(=O)[O-] 7a_100102619762_100000053229 [0,2,0,0,0,0|0,0,2]=4 13503 B13R0.179 CC(=O)CCOCCCCCC(C)C 34a_100000759926_100000210682 [0,2,0,0,0,0|1,0,0]=3 13504 B13R0.179 CC(=O)CCOCCCCCC(C)C 7a_100000759926_100000210682 [0,2,0,0,0,0|1,0,0]=3 13505 B13R0.179 CC(=O)CCOCCCCCC(C)C 7a_100011995859_100000053229 [0,2,0,0,0,0|1,0,0]=3 13506 B13R0.179 CC(=O)CCSCCCCCC(=O)N 62a_100000053229_100009817443 [0,2,0,0,0,0|1,0,1]=4 13507 B13R0.179 CC(=O)CCSCCCCCC(=O)N 62a_100009817443_100000053229 [0,2,0,0,0,0|1,0,1]=4 13508 B13R0.179 CC(=O)CCSCCCCCC(C)C 62a_100000053229_100000210682 [0,2,0,0,0,0|1,0,0]=3 13509 B13R0.179 CC(=O)CCSCCCCCC(C)C 62a_100000210682_100000053229 [0,2,0,0,0,0|1,0,0]=3 13510 B13R0.179 CC(=O)NCCCCCCNC(C)C 2230a_200011996284_100000210206 [0,2,0,0,0,0|2,0,0]=4 13511 B13R0.179 CC(=O)NCCCCCCNC(C)C 34a_200011996284_100000210206 [0,2,0,0,0,0|2,0,0]=4 13512 B13R0.179 CC(=O)NCCCCCNCC(C)C 2230a_200012022750_100000210760 [0,2,0,0,0,0|2,0,0]=4 13513 B13R0.179 CC(=O)NCCCCCNCC(C)C 270004a_200012022750_100000210432 [0,2,0,0,0,0|2,0,0]=4 13514 B13R0.179 CC(=O)NCCCCCNCC(C)C 34a_200012022750_100000210624 [0,2,0,0,0,0|2,0,0]=4 13515 B13R0.179 CC(=O)NCCCCCNCC(C)O 2230a_200012022750_100011218427 [0,2,0,0,0,0|2,0,0]=4 13516 B13R0.179 CC(=O)NCCCCCNCC(C)O 34a_200012022750_100011218427 [0,2,0,0,0,0|2,0,0]=4 13517 B13R0.179 CC(=O)NCCCCCNC[C@@H](C)O 2230a_200012022750_100009817552 [0,2,0,0,0,0|2,0,0]=4 13518 B13R0.179 CC(=O)NCCCCCNC[C@@H](C)O 34a_200012022750_100009817552 [0,2,0,0,0,0|2,0,0]=4 13519 B13R0.179 CC(=O)NCCCCNCCC(C)C 2230a_200011368371_100000210312 [0,2,0,0,0,0|2,0,0]=4 13520 B13R0.179 CC(=O)NCCCCNCCC(C)C 269862a_200011368371_100000185833 [0,2,0,0,0,0|2,0,0]=4 13521 B13R0.179 CC(=O)NCCCCNCCC(C)C 34a_200011368371_100000210312 [0,2,0,0,0,0|2,0,0]=4 13522 B13R0.179 CC(=O)NCCCCNCCC(C)O 2230a_200011368371_100012276601 [0,2,0,0,0,0|2,0,0]=4 13523 B13R0.179 CC(=O)NCCCCNCCC(C)O 34a_200011368371_100012276601 [0,2,0,0,0,0|2,0,0]=4 13524 B13R0.179 CC(=O)NCCCNCCCC(C)C 34a_100000736810_100011214892 [0,2,0,0,0,0|2,0,0]=4 13525 B13R0.179 CC(=O)NCCCNCCCC(C)O 34a_100000736810_200000718107 [0,2,0,0,0,0|2,0,0]=4 13526 B13R0.179 CC(=O)NCCCOCCCC(C)C 34a_100000752032_100011214892 [0,2,0,0,0,0|2,0,0]=4 13527 B13R0.179 CC(=O)NCCCOCCCC(C)O 34a_100000752032_200000718107 [0,2,0,0,0,0|2,0,0]=4 13528 B13R0.179 CC(=O)NCCNCCCCC(C)C 2230a_100000209853_100011216152 [0,2,0,0,0,0|2,0,0]=4 13529 B13R0.179 CC(=O)NCCOCCCCC(C)C 34a_100000158858_100011216152 [0,2,0,0,0,0|2,0,0]=4 13530 B13R0.179 CC(=O)NCCOCCCCC(C)C 7a_100011214890_100000189650 [0,2,0,0,0,0|2,0,0]=4 13531 B13R0.179 CC(=O)NCCSCCCCC(C)C 62a_100000189650_100011216152 [0,2,0,0,0,0|2,0,0]=4 13532 B13R0.179 CC(=O)NCCSCCCCC(C)C 62a_100011216152_100000189650 [0,2,0,0,0,0|2,0,0]=4 13533 B13R0.179 CC(=O)OCCCCCNCC(=O)O 269956a_100016091260_100000033007 [0,2,0,0,0,0|1,0,1]=4 13534 B13R0.179 CC(=O)OCCCCCNCC(C)C 2230a_100000210953_100009813381 [0,2,0,0,0,0|2,0,0]=4 13535 B13R0.179 CC(=O)OCCCCCNCC(C)C 34a_100000210953_100000033007 [0,2,0,0,0,0|2,0,0]=4 13536 B13R0.179 CC(=O)OCCCCCNCC(C)O 2230a_100000210904_100009813381 [0,2,0,0,0,0|2,0,0]=4 13537 B13R0.179 CC(=O)OCCCCCNCC(C)O 34a_100000210904_100000033007 [0,2,0,0,0,0|2,0,0]=4 13538 B13R0.179 CC(=O)OCCCCCOCC(C)Br 34a_100012180447_100000033007 [0,2,0,0,0,0|2,0,0]=4 13539 B13R0.179 CC(=O)OCCCCCOCC(C)C 34a_100000210257_100000033007 [0,2,0,0,0,0|2,0,0]=4 13540 B13R0.179 CC(=O)OCCCCCOCC(C)F 34a_100015925927_100000033007 [0,2,0,0,0,0|2,0,0]=4 13541 B13R0.179 CC(=O)OCCCCCOC[C@@H](C)Cl 34a_100016084084_100000033007 [0,2,0,0,0,0|2,0,0]=4 13542 B13R0.179 CC(=O)OCCCCCOC[C@@H](C)N 34a_100000737577_100000033007 [0,2,0,0,0,0|2,0,0]=4 13543 B13R0.179 CC(=O)OCCCCCSCC(C)C 62a_100000033007_100000210760 [0,2,0,0,0,0|2,0,0]=4 13544 B13R0.179 CC(=O)OCCCCCSCC(C)C 62a_100000210624_100000033007 [0,2,0,0,0,0|2,0,0]=4 13545 B13R0.179 CC(=O)OCCCCCSCC(C)O 62a_100000033007_100011218427 [0,2,0,0,0,0|2,0,0]=4 13546 B13R0.179 CC(=O)OCCCCCSCC(C)O 62a_100011218427_100000033007 [0,2,0,0,0,0|2,0,0]=4 13547 B13R0.179 CC(=O)OCCCCCSC[C@@H](C)O 62a_100000033007_100009817552 [0,2,0,0,0,0|2,0,0]=4 13548 B13R0.179 CC(=O)OCCCCCSC[C@@H](C)O 62a_100009817552_100000033007 [0,2,0,0,0,0|2,0,0]=4 13549 B13R0.179 CC(=O)OCCCCOCCC(C)Br 34a_100009893172_100000033659 [0,2,0,0,0,0|2,0,0]=4 13550 B13R0.179 CC(=O)OCCCCOCCC(C)C 34a_100000073216_100000210312 [0,2,0,0,0,0|2,0,0]=4 13551 B13R0.179 CC(=O)OCCCCOCCC(C)C 34a_100000210254_100000033659 [0,2,0,0,0,0|2,0,0]=4 13552 B13R0.179 CC(=O)OCCCCOCCC(C)C 7a_100000073216_100000210626 [0,2,0,0,0,0|2,0,0]=4 13553 B13R0.179 CC(=O)OCCCCOCCC(C)C 7a_100000210254_100000033659 [0,2,0,0,0,0|2,0,0]=4 13554 B13R0.179 CC(=O)OCCCCOCCC(C)O 34a_100000073216_100012276601 [0,2,0,0,0,0|2,0,0]=4 13555 B13R0.179 CC(=O)OCCCCOCCC(C)O 7a_100000073216_100012276601 [0,2,0,0,0,0|2,0,0]=4 13556 B13R0.179 CC(=O)OCCCCOCC[C@@H](C)N 34a_100000706166_100000033659 [0,2,0,0,0,0|2,0,0]=4 13557 B13R0.179 CC(=O)OCCCCSCCC(C)C 62a_100000033659_100000210312 [0,2,0,0,0,0|2,0,0]=4 13558 B13R0.179 CC(=O)OCCCCSCCC(C)C 62a_100000210312_100000033659 [0,2,0,0,0,0|2,0,0]=4 13559 B13R0.179 CC(=O)OCCCCSCCC(C)O 62a_100000033659_100012276601 [0,2,0,0,0,0|2,0,0]=4 13560 B13R0.179 CC(=O)OCCCCSCCC(C)O 62a_100012276601_100000033659 [0,2,0,0,0,0|2,0,0]=4 13561 B13R0.179 CC(=O)OCCCNCCCC(C)C 34a_200000737386_100000042594 [0,2,0,0,0,0|2,0,0]=4 13562 B13R0.179 CC(=O)OCCCOCCCC(C)C 34a_100000210774_100000042594 [0,2,0,0,0,0|2,0,0]=4 13563 B13R0.179 CC(=O)OCCCOCCCC(C)C 7a_100000210774_100000042594 [0,2,0,0,0,0|2,0,0]=4 13564 B13R0.179 CC(=O)OCCCSCCCC(C)C 62a_100000042594_100011214892 [0,2,0,0,0,0|2,0,0]=4 13565 B13R0.179 CC(=O)OCCCSCCCC(C)C 62a_100011214892_100000042594 [0,2,0,0,0,0|2,0,0]=4 13566 B13R0.179 CC(=O)OCCCSCCCC(C)O 62a_100000042594_200000718107 [0,2,0,0,0,0|2,0,0]=4 13567 B13R0.179 CC(=O)OCCCSCCCC(C)O 62a_200000718107_100000042594 [0,2,0,0,0,0|2,0,0]=4 13568 B13R0.179 CC(=O)OCCOCCCCC(C)C 34a_100011214890_100009814007 [0,2,0,0,0,0|2,0,0]=4 13569 B13R0.179 CC(=O)OCCOCCCCC(C)C 7a_100011214890_100009814007 [0,2,0,0,0,0|2,0,0]=4 13570 B13R0.179 CC(=O)OCCSCCCCC(C)C 62a_100009814007_100011216152 [0,2,0,0,0,0|2,0,0]=4 13571 B13R0.179 CC(=O)OCCSCCCCC(C)C 62a_100011216152_100009814007 [0,2,0,0,0,0|2,0,0]=4 13572 B13R0.179 CC(=O)OCNCCCCCC(C)C 34a_100011290863_100009813279 [0,2,0,0,0,0|2,0,0]=4 13573 B13R0.179 CC(=O)OCOCCCCCC(C)C 34a_100011995859_100009813279 [0,2,0,0,0,0|2,0,0]=4 13574 B13R0.179 CC(=O)OCSCCCCCC(C)C 62a_100000076356_100000210682 [0,2,0,0,0,0|2,0,0]=4 13575 B13R0.179 CC(=O)OCSCCCCCC(C)C 62a_100000210682_100000076356 [0,2,0,0,0,0|2,0,0]=4 13576 B13R0.179 CC(=O)SCCCCNCCC(C)O 2230a_200000755665_200010402107 [0,2,0,0,0,0|2,0,0]=4 13577 B13R0.179 CC(=O)SCCCCOCCC(C)Br 34a_100009893172_200010402107 [0,2,0,0,0,0|2,0,0]=4 13578 B13R0.179 CC(=O)SCCCCOCCC(C)C 34a_100000210254_200010402107 [0,2,0,0,0,0|2,0,0]=4 13579 B13R0.179 CC(=O)SCCCCOCCC(C)C 7a_100000210254_200010402107 [0,2,0,0,0,0|2,0,0]=4 13580 B13R0.179 CC(=O)SCCCCOCC[C@@H](C)N 34a_100000706166_200010402107 [0,2,0,0,0,0|2,0,0]=4 13581 B13R0.179 CC(=O)SCCCCSCCC(C)C 62a_100000210312_200010402107 [0,2,0,0,0,0|2,0,0]=4 13582 B13R0.179 CC(=O)SCCCCSCCC(C)C 62a_200010402107_100000210312 [0,2,0,0,0,0|2,0,0]=4 13583 B13R0.179 CC(=O)SCCCCSCCC(C)O 62a_100012276601_200010402107 [0,2,0,0,0,0|2,0,0]=4 13584 B13R0.179 CC(=O)SCCCCSCCC(C)O 62a_200010402107_100012276601 [0,2,0,0,0,0|2,0,0]=4 13585 B13R0.179 CC(=O)SCCCNCCCC(C)C 2230a_200000737386_100000038929 [0,2,0,0,0,0|2,0,0]=4 13586 B13R0.179 CC(=O)SCCCNCCCC(C)C 34a_200000737386_100000038929 [0,2,0,0,0,0|2,0,0]=4 13587 B13R0.179 CC(=O)SCCCOCCCC(C)C 34a_100000210774_100000038929 [0,2,0,0,0,0|2,0,0]=4 13588 B13R0.179 CC(=O)SCCCOCCCC(C)C 7a_100000210774_100000038929 [0,2,0,0,0,0|2,0,0]=4 13589 B13R0.179 CC(=O)SCCCSCCCC(C)C 62a_100000038929_100011214892 [0,2,0,0,0,0|2,0,0]=4 13590 B13R0.179 CC(=O)SCCCSCCCC(C)C 62a_100011214892_100000038929 [0,2,0,0,0,0|2,0,0]=4 13591 B13R0.179 CC(=O)SCCCSCCCC(C)O 62a_100000038929_200000718107 [0,2,0,0,0,0|2,0,0]=4 13592 B13R0.179 CC(=O)SCCCSCCCC(C)O 62a_200000718107_100000038929 [0,2,0,0,0,0|2,0,0]=4 13593 B13R0.179 CC(Br)CCOCCCCCB(O)O 34a_100009893172_200009817188 [0,2,0,0,0,0|1,0,1]=4 13594 B13R0.179 CC(Br)CCOCCCCCC(=O)N 34a_100009893172_100009817443 [0,2,0,0,0,0|1,0,0]=3 13595 B13R0.179 CC(Br)COCCCCCCB(O)O 34a_100012180447_100009817187 [0,2,0,0,0,0|1,0,1]=4 13596 B13R0.179 CC(C)CCCCCCNCC(=O)N 2230a_100000211014_100000747473 [0,2,0,0,0,0|1,0,0]=3 13597 B13R0.179 CC(C)CCCCCCNCC(=O)N 34a_100000211014_100000187820 [0,2,0,0,0,0|1,0,0]=3 13598 B13R0.179 CC(C)CCCCCCNCC(=O)[O-] 34a_100000211014_100020667443 [0,2,0,0,0,0|0,0,1]=3 13599 B13R0.179 CC(C)CCCCCCNCC(C)O 2230a_100000211014_100011218427 [0,2,0,0,0,0|1,0,1]=4 13600 B13R0.179 CC(C)CCCCCCNCC(C)O 34a_100000211014_100011218427 [0,2,0,0,0,0|1,0,1]=4 13601 B13R0.179 CC(C)CCCCCCNC[C@@H](C)O 2230a_100000211014_100009817552 [0,2,0,0,0,0|1,0,1]=4 13602 B13R0.179 CC(C)CCCCCCNC[C@@H](C)O 34a_100000211014_100009817552 [0,2,0,0,0,0|1,0,1]=4 13603 B13R0.179 CC(C)CCCCCCNC[N+](=O)[O-] 34a_100000211014_100000761209 [0,2,0,0,0,0|1,0,1]=4 13604 B13R0.179 CC(C)CCCCCNCCC(=O)N 2230a_100011290863_100000744528 [0,2,0,0,0,0|1,0,0]=3 13605 B13R0.179 CC(C)CCCCCNCCC(=O)N 34a_100011290863_100000731001 [0,2,0,0,0,0|1,0,0]=3 13606 B13R0.179 CC(C)CCCCCNCCC(C)O 2230a_100011290863_100012276601 [0,2,0,0,0,0|1,0,1]=4 13607 B13R0.179 CC(C)CCCCCNCCC(C)O 2230a_200000755665_100000210682 [0,2,0,0,0,0|1,0,1]=4 13608 B13R0.179 CC(C)CCCCCNCCC(C)O 34a_100011290863_100012276601 [0,2,0,0,0,0|1,0,1]=4 13609 B13R0.179 CC(C)CCCCCNOCC(=O)O 269956a_100000106656_100000210682 [0,2,0,0,0,0|1,0,0]=3 13610 B13R0.179 CC(C)CCCCCOCCC(=O)N 34a_100000757172_100000210682 [0,2,0,0,0,0|1,0,0]=3 13611 B13R0.179 CC(C)CCCCCOCCC(=O)N 34a_100011995859_100000731001 [0,2,0,0,0,0|1,0,0]=3 13612 B13R0.179 CC(C)CCCCCOCCC(=O)N 7a_100000757172_100000210682 [0,2,0,0,0,0|1,0,0]=3 13613 B13R0.179 CC(C)CCCCCOCCC(=O)N 7a_100011995859_100000744528 [0,2,0,0,0,0|1,0,0]=3 13614 B13R0.179 CC(C)CCCCCOCCC(C)O 34a_100011995859_100012276601 [0,2,0,0,0,0|1,0,1]=4 13615 B13R0.179 CC(C)CCCCCOCCC(C)O 7a_100011995859_100012276601 [0,2,0,0,0,0|1,0,1]=4 13616 B13R0.179 CC(C)CCCCCSCCC(=O)N 62a_100000210682_100000744528 [0,2,0,0,0,0|1,0,0]=3 13617 B13R0.179 CC(C)CCCCCSCCC(=O)N 62a_100000744528_100000210682 [0,2,0,0,0,0|1,0,0]=3 13618 B13R0.179 CC(C)CCCCCSCCC(C)O 62a_100000210682_100012276601 [0,2,0,0,0,0|1,0,1]=4 13619 B13R0.179 CC(C)CCCCCSCCC(C)O 62a_100012276601_100000210682 [0,2,0,0,0,0|1,0,1]=4 13620 B13R0.179 CC(C)CCCCNCCCC(=O)N 34a_100000739312_100011216152 [0,2,0,0,0,0|1,0,0]=3 13621 B13R0.179 CC(C)CCCCNCCCS(=O)C 2230a_200000753449_100011216152 [0,2,0,0,0,0|2,0,0]=4 13622 B13R0.179 CC(C)CCCCNCCNC(=O)N 34a_100020590234_100011216152 [0,2,0,0,0,0|2,0,0]=4 13623 B13R0.179 CC(C)CCCCOCCCC(=O)N 34a_100011214890_100102525003 [0,2,0,0,0,0|1,0,0]=3 13624 B13R0.179 CC(C)CCCCOCCCC(=O)N 7a_100011214890_100102525003 [0,2,0,0,0,0|1,0,0]=3 13625 B13R0.179 CC(C)CCCCOCCCC(C)O 34a_100011214890_200000718107 [0,2,0,0,0,0|1,0,1]=4 13626 B13R0.179 CC(C)CCCCOCCCC(C)O 7a_100011214890_200000718107 [0,2,0,0,0,0|1,0,1]=4 13627 B13R0.179 CC(C)CCCCOCCC[N+](=O)[O-] 34a_200000037920_100011216152 [0,2,0,0,0,0|1,0,1]=4 13628 B13R0.179 CC(C)CCCCOCCNC(=O)N 34a_100000181757_100011216152 [0,2,0,0,0,0|2,0,0]=4 13629 B13R0.179 CC(C)CCCCOCCNC(=O)N 7a_100011214890_200000034859 [0,2,0,0,0,0|2,0,0]=4 13630 B13R0.179 CC(C)CCCCOCCOC(=O)N 34a_100011214890_200011214921 [0,2,0,0,0,0|2,0,0]=4 13631 B13R0.179 CC(C)CCCCOCCOC(=O)N 7a_100000766696_100011216152 [0,2,0,0,0,0|2,0,0]=4 13632 B13R0.179 CC(C)CCCCOCCOC(=O)N 7a_100011214890_200011214921 [0,2,0,0,0,0|2,0,0]=4 13633 B13R0.179 CC(C)CCCCSCCCC(=O)N 62a_100011216152_100102525003 [0,2,0,0,0,0|1,0,0]=3 13634 B13R0.179 CC(C)CCCCSCCCC(=O)N 62a_100102525003_100011216152 [0,2,0,0,0,0|1,0,0]=3 13635 B13R0.179 CC(C)CCCCSCCCC(C)O 62a_100011216152_200000718107 [0,2,0,0,0,0|1,0,1]=4 13636 B13R0.179 CC(C)CCCCSCCCC(C)O 62a_200000718107_100011216152 [0,2,0,0,0,0|1,0,1]=4 13637 B13R0.179 CC(C)CCCCSCCNC(=O)N 62a_100011216152_200000034859 [0,2,0,0,0,0|2,0,0]=4 13638 B13R0.179 CC(C)CCCCSCCNC(=O)N 62a_200000034859_100011216152 [0,2,0,0,0,0|2,0,0]=4 13639 B13R0.179 CC(C)CCCCSCCOC(=O)N 62a_100011216152_200011214921 [0,2,0,0,0,0|2,0,0]=4 13640 B13R0.179 CC(C)CCCCSCCOC(=O)N 62a_200011214921_100011216152 [0,2,0,0,0,0|2,0,0]=4 13641 B13R0.179 CC(C)CCCNCCCCB(O)O 2230a_200000737386_200009817182 [0,2,0,0,0,0|1,0,1]=4 13642 B13R0.179 CC(C)CCCNCCCCB(O)O 34a_200000737386_200009817182 [0,2,0,0,0,0|1,0,1]=4 13643 B13R0.179 CC(C)CCCNCCCCC(=O)N 34a_100000696515_100011214892 [0,2,0,0,0,0|1,0,0]=3 13644 B13R0.179 CC(C)CCCNCCOCC(=O)N 2230a_200000737386_100000076697 [0,2,0,0,0,0|2,0,0]=4 13645 B13R0.179 CC(C)CCCNCCOCC(=O)N 34a_200000737386_100000076697 [0,2,0,0,0,0|2,0,0]=4 13646 B13R0.179 CC(C)CCCNCCOCC(=O)O 269956a_100000700818_100011214892 [0,2,0,0,0,0|1,0,0]=3 13647 B13R0.179 CC(C)CCCOCCCCB(O)O 34a_100000210774_200009817182 [0,2,0,0,0,0|1,0,1]=4 13648 B13R0.179 CC(C)CCCOCCCCB(O)O 7a_100000210774_200009817182 [0,2,0,0,0,0|1,0,1]=4 13649 B13R0.179 CC(C)CCCOCCCCC(=O)N 34a_100012022536_100011214892 [0,2,0,0,0,0|1,0,0]=3 13650 B13R0.179 CC(C)CCCOCCCCC(=O)N 7a_100012022536_100011214892 [0,2,0,0,0,0|1,0,0]=3 13651 B13R0.179 CC(C)CCCOCCCC[N+](=O)[O-] 34a_200015379883_100011214892 [0,2,0,0,0,0|1,0,1]=4 13652 B13R0.179 CC(C)CCCOCCCC[N+](=O)[O-] 7a_200015379883_100011214892 [0,2,0,0,0,0|1,0,1]=4 13653 B13R0.179 CC(C)CCCOCCOCC(=O)N 34a_100000210774_100000076697 [0,2,0,0,0,0|2,0,0]=4 13654 B13R0.179 CC(C)CCCOCCOCC(=O)N 7a_100000210774_100000076697 [0,2,0,0,0,0|2,0,0]=4 13655 B13R0.179 CC(C)CCCSCCCCB(O)O 62a_100011214892_200009817182 [0,2,0,0,0,0|1,0,1]=4 13656 B13R0.179 CC(C)CCCSCCCCB(O)O 62a_200009817182_100011214892 [0,2,0,0,0,0|1,0,1]=4 13657 B13R0.179 CC(C)CCCSCCOCC(=O)N 62a_100000076697_100011214892 [0,2,0,0,0,0|2,0,0]=4 13658 B13R0.179 CC(C)CCCSCCOCC(=O)N 62a_100011214892_100000076697 [0,2,0,0,0,0|2,0,0]=4 13659 B13R0.179 CC(C)CCOCCCCCB(O)O 34a_100000210254_200009817188 [0,2,0,0,0,0|1,0,1]=4 13660 B13R0.179 CC(C)CCOCCCCCB(O)O 7a_100000210254_200009817188 [0,2,0,0,0,0|1,0,1]=4 13661 B13R0.179 CC(C)CCOCCCCCC(=O)N 34a_100000123541_100000210312 [0,2,0,0,0,0|1,0,0]=3 13662 B13R0.179 CC(C)CCOCCCCCC(=O)N 34a_100000210254_100009817443 [0,2,0,0,0,0|1,0,0]=3 13663 B13R0.179 CC(C)CCOCCCCCC(=O)N 7a_100000123541_100000210626 [0,2,0,0,0,0|1,0,0]=3 13664 B13R0.179 CC(C)CCOCCCCCC(=O)N 7a_100000210254_100009817443 [0,2,0,0,0,0|1,0,0]=3 13665 B13R0.179 CC(C)CCOCCCCCC(=O)[O-] 7a_100102619762_100000210626 [0,2,0,0,0,0|0,0,1]=3 13666 B13R0.179 CC(C)CCSCCCCCB(O)O 62a_100000210312_200009817188 [0,2,0,0,0,0|1,0,1]=4 13667 B13R0.179 CC(C)CCSCCCCCB(O)O 62a_200009817188_100000210312 [0,2,0,0,0,0|1,0,1]=4 13668 B13R0.179 CC(C)CCSCCCCCC(=O)N 62a_100000210312_100009817443 [0,2,0,0,0,0|1,0,0]=3 13669 B13R0.179 CC(C)CCSCCCCCC(=O)N 62a_100009817443_100000210312 [0,2,0,0,0,0|1,0,0]=3 13670 B13R0.179 CC(C)CNCCCCCCB(O)O 2230a_100000210953_100009817187 [0,2,0,0,0,0|1,0,1]=4 13671 B13R0.179 CC(C)CNCCCCCCB(O)O 34a_100000210953_100009817187 [0,2,0,0,0,0|1,0,1]=4 13672 B13R0.179 CC(C)CNCCOCCCC(=O)N 34a_100015185251_100102525003 [0,2,0,0,0,0|2,0,0]=4 13673 B13R0.179 CC(C)COCCCCCCB(O)O 34a_100000210257_100009817187 [0,2,0,0,0,0|1,0,1]=4 13674 B13R0.179 CC(C)COCCCNCCC(=O)N 2230a_100000205972_100000744528 [0,2,0,0,0,0|2,0,0]=4 13675 B13R0.179 CC(C)COCCCNCCC(=O)N 34a_100000205972_100000731001 [0,2,0,0,0,0|2,0,0]=4 13676 B13R0.179 CC(C)COCCOCCCC(=O)N 34a_100000703358_100102525003 [0,2,0,0,0,0|2,0,0]=4 13677 B13R0.179 CC(C)COCCOCCCC(=O)N 7a_100000703358_100102525003 [0,2,0,0,0,0|2,0,0]=4 13678 B13R0.179 CC(C)CSCCCCCCB(O)O 62a_100000210624_100009817187 [0,2,0,0,0,0|1,0,1]=4 13679 B13R0.179 CC(C)CSCCCCCCB(O)O 62a_100009817187_100000210760 [0,2,0,0,0,0|1,0,1]=4 13680 B13R0.179 CC(C)CSCCOCCCC(=O)N 34a_200000230437_100102525003 [0,2,0,0,0,0|2,0,0]=4 13681 B13R0.179 CC(C)CSCCOCCCC(=O)N 7a_200000230437_100102525003 [0,2,0,0,0,0|2,0,0]=4 13682 B13R0.179 CC(C)NCCCCCOCC(=O)N 34a_100011629493_100000187820 [0,2,0,0,0,0|2,0,0]=4 13683 B13R0.179 CC(C)NCCCCCOCC(=O)[O-] 34a_100011629493_100020667443 [0,2,0,0,0,0|1,0,1]=4 13684 B13R0.179 CC(C)NCCCCOCCC(=O)N 34a_100011521146_100000731001 [0,2,0,0,0,0|2,0,0]=4 13685 B13R0.179 CC(C)NCCCOCCCC(=O)N 34a_100000182298_100102525003 [0,2,0,0,0,0|2,0,0]=4 13686 B13R0.179 CC(C)NCCOCCOCC(=O)O 269956a_100009854275_100000210206 [0,2,0,0,0,0|2,0,0]=4 13687 B13R0.179 CC(C)OCCCNCCCC(=O)N 34a_100000737246_100102525003 [0,2,0,0,0,0|2,0,0]=4 13688 B13R0.179 CC(C)OCCNCCCCC(=O)N 34a_100000696515_100000211751 [0,2,0,0,0,0|2,0,0]=4 13689 B13R0.179 CC(C)OCCNCCOCC(=O)O 269956a_100000700818_100000211751 [0,2,0,0,0,0|2,0,0]=4 13690 B13R0.179 CC(C)OCCOCCCCC(=O)N 34a_100012022536_100000211751 [0,2,0,0,0,0|2,0,0]=4 13691 B13R0.179 CC(C)OCCOCCCCC(=O)N 7a_100012022536_100000211751 [0,2,0,0,0,0|2,0,0]=4 13692 B13R0.179 CC(C)OCOCCCCCC(=O)N 34a_100000123541_100000709892 [0,2,0,0,0,0|2,0,0]=4 13693 B13R0.179 CC(C)OCSCCCCCC(=O)N 62a_100000709892_100009817443 [0,2,0,0,0,0|2,0,0]=4 13694 B13R0.179 CC(C)OCSCCCCCC(=O)N 62a_100009817443_100000709892 [0,2,0,0,0,0|2,0,0]=4 13695 B13R0.179 CC(C)SCCNCCCCC(=O)N 34a_100000696515_100000730970 [0,2,0,0,0,0|2,0,0]=4 13696 B13R0.179 CC(C)SCCNCCOCC(=O)O 269956a_100000700818_100000730970 [0,2,0,0,0,0|2,0,0]=4 13697 B13R0.179 CC(C)SCCOCCCCC(=O)N 34a_100012022536_100000730970 [0,2,0,0,0,0|2,0,0]=4 13698 B13R0.179 CC(C)SCCOCCCCC(=O)N 7a_100012022536_100000730970 [0,2,0,0,0,0|2,0,0]=4 13699 B13R0.179 CC(F)COCCCCCCB(O)O 34a_100015925927_100009817187 [0,2,0,0,0,0|1,0,1]=4 13700 B13R0.179 CC(O)CCCNCCCCC(=O)N 34a_100000696515_200000718107 [0,2,0,0,0,0|1,0,0]=3 13701 B13R0.179 CC(O)CCCNCCOCC(=O)O 269956a_100000700818_200000718107 [0,2,0,0,0,0|1,0,0]=3 13702 B13R0.179 CC(O)CCCOCCCCC(=O)N 34a_100012022536_200000718107 [0,2,0,0,0,0|1,0,0]=3 13703 B13R0.179 CC(O)CCCOCCCCC(=O)N 7a_100012022536_200000718107 [0,2,0,0,0,0|1,0,0]=3 13704 B13R0.179 CC(O)CCCOCCCC[N+](=O)[O-] 34a_200015379883_200000718107 [0,2,0,0,0,0|1,0,1]=4 13705 B13R0.179 CC(O)CCCOCCCC[N+](=O)[O-] 7a_200015379883_200000718107 [0,2,0,0,0,0|1,0,1]=4 13706 B13R0.179 CC(O)CCCSCCCCB(O)O 62a_200000718107_200009817182 [0,2,0,0,0,0|1,0,1]=4 13707 B13R0.179 CC(O)CCCSCCCCB(O)O 62a_200009817182_200000718107 [0,2,0,0,0,0|1,0,1]=4 13708 B13R0.179 CC(O)CCCSCCOCC(=O)N 62a_100000076697_200000718107 [0,2,0,0,0,0|2,0,0]=4 13709 B13R0.179 CC(O)CCCSCCOCC(=O)N 62a_200000718107_100000076697 [0,2,0,0,0,0|2,0,0]=4 13710 B13R0.179 CC(O)CCNCCCCCB(O)O 2230a_200000755665_200009817188 [0,2,0,0,0,0|1,0,1]=4 13711 B13R0.179 CC(O)CCNCCCCCC(=O)N 2230a_200000755665_100009817443 [0,2,0,0,0,0|1,0,0]=3 13712 B13R0.179 CC(O)CCOCCCCCC(=O)N 34a_100000123541_100012276601 [0,2,0,0,0,0|1,0,0]=3 13713 B13R0.179 CC(O)CCOCCCCCC(=O)N 7a_100000123541_100012276601 [0,2,0,0,0,0|1,0,0]=3 13714 B13R0.179 CC(O)CCOCCCCCC(=O)[O-] 7a_100102619762_100012276601 [0,2,0,0,0,0|0,0,1]=3 13715 B13R0.179 CC(O)CCSCCCCCB(O)O 62a_100012276601_200009817188 [0,2,0,0,0,0|1,0,1]=4 13716 B13R0.179 CC(O)CCSCCCCCB(O)O 62a_200009817188_100012276601 [0,2,0,0,0,0|1,0,1]=4 13717 B13R0.179 CC(O)CCSCCCCCC(=O)N 62a_100009817443_100012276601 [0,2,0,0,0,0|1,0,0]=3 13718 B13R0.179 CC(O)CCSCCCCCC(=O)N 62a_100012276601_100009817443 [0,2,0,0,0,0|1,0,0]=3 13719 B13R0.179 CC(O)CNCCCCCCB(O)O 2230a_100000210904_100009817187 [0,2,0,0,0,0|1,0,1]=4 13720 B13R0.179 CC(O)CNCCCCCCB(O)O 34a_100000210904_100009817187 [0,2,0,0,0,0|1,0,1]=4 13721 B13R0.179 CC(O)CSCCCCCCB(O)O 62a_100009817187_100011218427 [0,2,0,0,0,0|1,0,1]=4 13722 B13R0.179 CC(O)CSCCCCCCB(O)O 62a_100011218427_100009817187 [0,2,0,0,0,0|1,0,1]=4 13723 B13R0.179 CN(C)CCCCSCCCC(=O)N 62a_100102525003_100000690147 [0,2,0,0,0,0|2,0,0]=4 13724 B13R0.179 CN(C)CCCNCCOCC(=O)O 269956a_100000700818_100000757444 [0,2,0,0,0,0|2,0,0]=4 13725 B13R0.179 CN(C)CCCOCCCCC(=O)N 7a_100012022536_100000757444 [0,2,0,0,0,0|2,0,0]=4 13726 B13R0.179 CN(C)CCOCCCCCC(=O)N 7a_100000123541_100000755713 [0,2,0,0,0,0|2,0,0]=4 13727 B13R0.179 CN(C)CCOCCCCCC(=O)[O-] 7a_100102619762_100000755713 [0,2,0,0,0,0|1,0,1]=4 13728 B13R0.179 CN(C)CCSCCCCCC(=O)N 62a_100009817443_100000755713 [0,2,0,0,0,0|2,0,0]=4 13729 B13R0.179 C[C@@H](Cl)COCCCCCCB(O)O 34a_100016084084_100009817187 [0,2,0,0,0,0|1,0,1]=4 13730 B13R0.179 C[C@@H](N)CCOCCCCCB(O)O 34a_100000706166_200009817188 [0,2,0,0,0,0|1,0,1]=4 13731 B13R0.179 C[C@@H](N)CCOCCCCCC(=O)N 34a_100000706166_100009817443 [0,2,0,0,0,0|1,0,0]=3 13732 B13R0.179 C[C@@H](N)COCCCCCCB(O)O 34a_100000737577_100009817187 [0,2,0,0,0,0|1,0,1]=4 13733 B13R0.179 C[C@@H](O)CSCCCCCCB(O)O 62a_100009817187_100009817552 [0,2,0,0,0,0|1,0,1]=4 13734 B13R0.179 C[C@@H](O)CSCCCCCCB(O)O 62a_100009817552_100009817187 [0,2,0,0,0,0|1,0,1]=4 13735 B13R0.179 NC(=O)CCCCCOCCC(F)F 34a_100103093639_100009817443 [0,2,0,0,0,0|2,0,0]=4 13736 B13R0.179 O=C(O)CNCCCCCCB(O)O 269956a_100016091260_100009817187 [0,2,0,0,0,0|2,0,0]=4 13737 B13R0.202 C#CC(O)CCCCCNCC(=O)O 269956a_100016091260_200010408556 [0,2,0,0,0,0|0,0,2]=4 13738 B13R0.202 C=C(C)CCOCCCCC(=O)OC 34a_100000059025_100000730704 [0,2,0,0,0,0|1,0,1]=4 13739 B13R0.202 C=C(C)CCOCCCCC(=O)OC 34a_100000764851_100000204269 [0,2,0,0,0,0|1,0,1]=4 13740 B13R0.202 C=C(C)CCOCCCCC(=O)OC 7a_100000059025_100000730704 [0,2,0,0,0,0|1,0,1]=4 13741 B13R0.202 C=C(C)CCSCCCCC(=O)OC 62a_100000204269_100000730704 [0,2,0,0,0,0|1,0,1]=4 13742 B13R0.202 C=C(C)CCSCCCCC(=O)OC 62a_100000730704_100000204269 [0,2,0,0,0,0|1,0,1]=4 13743 B13R0.202 C=C(C)COCCCCCC(=O)OC 34a_100000074720_100000748629 [0,2,0,0,0,0|1,0,1]=4 13744 B13R0.202 C=C(C)COCCCCCC(=O)OC 34a_100000210245_100009816466 [0,2,0,0,0,0|1,0,1]=4 13745 B13R0.202 C=C(C)COCCCCCC(=O)OC 7a_100000074720_100000748629 [0,2,0,0,0,0|1,0,1]=4 13746 B13R0.202 C=C(C)COCCCCCC(C)CC 7a_200000035636_100000748629 [0,2,0,0,0,0|2,0,0]=4 13747 B13R0.202 C=C(C)CSCCCCCC(=O)OC 62a_100000748629_100009816466 [0,2,0,0,0,0|1,0,1]=4 13748 B13R0.202 C=C(C)CSCCCCCC(=O)OC 62a_100009816466_100000211660 [0,2,0,0,0,0|1,0,1]=4 13749 B13R0.202 C=C(F)COCCCCCC(C)CC 7a_200000035636_100000042424 [0,2,0,0,0,0|2,0,0]=4 13750 B13R0.202 C=CC(=O)NCCCCCCC(C)C 1626a_100000211014_100000185746 [0,2,0,0,0,0|2,0,0]=4 13751 B13R0.202 C=CC(=O)NCCCCCCC(C)C 240690a_100000211014_200121576911 [0,2,0,0,0,0|2,0,0]=4 13752 B13R0.202 C=CC(C)COCCCCCC(=O)N 34a_100011215527_100009817443 [0,2,0,0,0,0|2,0,0]=4 13753 B13R0.202 C=CC(C)COCCCCCC(=O)N 7a_100011215527_100009817443 [0,2,0,0,0,0|2,0,0]=4 13754 B13R0.202 CC(=O)CCCCNCCC(C)CO 34a_106354213184_100009817362 [0,2,0,0,0,0|2,0,0]=4 13755 B13R0.202 CC(=O)CCCOCCC[C@@H](C)CN 34a_100160569302_100000685027 [0,2,0,0,0,0|2,0,0]=4 13756 B13R0.202 CC(C)CCCCCCNC(=O)CO 240690a_100000211014_100000210174 [0,2,0,0,0,0|1,0,0]=3 13757 B13R0.202 CC(C)CCCCCCNC(=O)CO 527a_100000211014_100000210174 [0,2,0,0,0,0|1,0,0]=3 13758 B13R0.202 CC(C)CCCCOCCC(=NO)N 34a_100000749954_100011216152 [0,2,0,0,0,0|2,0,0]=4 13759 B13R0.202 CC(C)CCCOCCCC(=O)NN 34a_100000211488_100011214892 [0,2,0,0,0,0|2,0,0]=4 13760 B13R0.202 CC(CN)COCCCCCC(=O)N 34a_100000744482_100009817443 [0,2,0,0,0,0|2,0,0]=4 13761 B13R0.202 CC(CO)CNCCCCCC(=O)N 34a_100000744482_100009817443 [0,2,0,0,0,0|2,0,0]=4 13762 B13R0.202 CC(O)CCCOCCCC(=O)NN 34a_100000211488_200000718107 [0,2,0,0,0,0|2,0,0]=4 13763 B13R0.202 CCC(=O)COCCCCCC(=O)N 34a_100000725409_100009817443 [0,2,0,0,0,0|1,0,1]=4 13764 B13R0.202 CCC(=O)COCCCCCC(=O)N 7a_100000123541_100000747405 [0,2,0,0,0,0|1,0,1]=4 13765 B13R0.202 CCC(=O)COCCCCCC(=O)[O-] 7a_100102619762_100000747405 [0,2,0,0,0,0|0,0,2]=4 13766 B13R0.202 CCC(=O)COCCCCCC(C)C 34a_100000725409_100000210682 [0,2,0,0,0,0|2,0,0]=4 13767 B13R0.202 CCC(=O)COCCCCCC(C)C 7a_100011995859_100000747405 [0,2,0,0,0,0|2,0,0]=4 13768 B13R0.202 CCC(=O)CSCCCCCC(=O)N 62a_100000747405_100009817443 [0,2,0,0,0,0|1,0,1]=4 13769 B13R0.202 CCC(=O)CSCCCCCC(=O)N 62a_100009817443_100000747405 [0,2,0,0,0,0|1,0,1]=4 13770 B13R0.202 CCC(=O)CSCCCCCC(C)C 62a_100000210682_100000747405 [0,2,0,0,0,0|2,0,0]=4 13771 B13R0.202 CCC(=O)CSCCCCCC(C)C 62a_100000747405_100000210682 [0,2,0,0,0,0|2,0,0]=4 13772 B13R0.202 CCC(=O)NCCCCCCC(C)C 11a_100000211014_100000210414 [0,2,0,0,0,0|2,0,0]=4 13773 B13R0.202 CCC(=O)NCCCCCCC(C)C 1626a_100000211014_100000210414 [0,2,0,0,0,0|2,0,0]=4 13774 B13R0.202 CCC(=O)NCCCCCCC(C)C 240690a_100000211014_100000210414 [0,2,0,0,0,0|2,0,0]=4 13775 B13R0.202 CCC(=O)NCCCCCCC(C)C 527a_100000211014_100000210414 [0,2,0,0,0,0|2,0,0]=4 13776 B13R0.202 CCC(C)CCCCCOCC(=O)N 7a_200000035636_100000187820 [0,2,0,0,0,0|1,0,0]=3 13777 B13R0.202 CCC(C)CCCCCOCC(C)O 7a_200000035636_100011218427 [0,2,0,0,0,0|1,0,1]=4 13778 B13R0.202 CCC(C)CCCCCOC[C@@H](C)O 7a_200000035636_100009817552 [0,2,0,0,0,0|1,0,1]=4 13779 B13R0.202 CCC(C)CCCOCCCC(=O)C 7a_100011216074_100011215641 [0,2,0,0,0,0|1,0,0]=3 13780 B13R0.202 CCC(C)CCCOCCCC(=O)N 7a_100011216074_100102525003 [0,2,0,0,0,0|1,0,0]=3 13781 B13R0.202 CCC(C)CCCOCCCC(C)O 7a_100011216074_200000718107 [0,2,0,0,0,0|1,0,1]=4 13782 B13R0.202 CCC(C)CCCOCCNC(=O)C 7a_100011216074_100000189650 [0,2,0,0,0,0|2,0,0]=4 13783 B13R0.202 CCC(C)CCCOCCNC(=O)N 7a_100011216074_200000034859 [0,2,0,0,0,0|2,0,0]=4 13784 B13R0.202 CCC(C)CCCOCCOC(=O)C 7a_100011216074_100009814007 [0,2,0,0,0,0|2,0,0]=4 13785 B13R0.202 CCC(C)CCCOCCOC(=O)N 7a_100011216074_200011214921 [0,2,0,0,0,0|2,0,0]=4 13786 B13R0.202 CCC(C)CCNCCCCB(O)O 2230a_100020591266_200009817182 [0,2,0,0,0,0|1,0,1]=4 13787 B13R0.202 CCC(C)CCNCCCSC(=O)C 2230a_100020591266_100000038929 [0,2,0,0,0,0|2,0,0]=4 13788 B13R0.202 CCC(C)CCNCCOCC(=O)N 2230a_100020591266_100000076697 [0,2,0,0,0,0|2,0,0]=4 13789 B13R0.202 CCC(C)CCOCCCCB(O)O 7a_100011215188_200009817182 [0,2,0,0,0,0|1,0,1]=4 13790 B13R0.202 CCC(C)CCOCCCCC(=O)C 7a_100011215188_100000735457 [0,2,0,0,0,0|1,0,0]=3 13791 B13R0.202 CCC(C)CCOCCCOC(=O)C 7a_100011215188_100000042594 [0,2,0,0,0,0|2,0,0]=4 13792 B13R0.202 CCC(C)CCOCCCSC(=O)C 7a_100011215188_100000038929 [0,2,0,0,0,0|2,0,0]=4 13793 B13R0.202 CCC(C)CCOCCOCC(=O)N 7a_100011215188_100000076697 [0,2,0,0,0,0|2,0,0]=4 13794 B13R0.202 CCC(C)CNCCCCCB(O)O 2230a_100020588543_200009817188 [0,2,0,0,0,0|1,0,1]=4 13795 B13R0.202 CCC(C)CNCCCCCC(=O)N 2230a_100020588543_100009817443 [0,2,0,0,0,0|1,0,0]=3 13796 B13R0.202 CCC(C)CNCCCCNC(=O)C 2230a_200011368371_100000748023 [0,2,0,0,0,0|2,0,0]=4 13797 B13R0.202 CCC(C)CNCCCCNC(=O)C 270004a_200011368371_100000243153 [0,2,0,0,0,0|2,0,0]=4 13798 B13R0.202 CCC(C)CNCCCCNC(=O)C 34a_200011368371_100000748023 [0,2,0,0,0,0|2,0,0]=4 13799 B13R0.202 CCC(C)CNCCCCSC(=O)C 2230a_100020588543_200010402107 [0,2,0,0,0,0|2,0,0]=4 13800 B13R0.202 CCC(C)COCCCCCC(=O)N 34a_100000123541_100000748023 [0,2,0,0,0,0|1,0,0]=3 13801 B13R0.202 CCC(C)COCCCCCC(=O)N 7a_100000123541_100000748023 [0,2,0,0,0,0|1,0,0]=3 13802 B13R0.202 CCC(C)COCCCCCC(=O)[O-] 7a_100102619762_100000748023 [0,2,0,0,0,0|0,0,1]=3 13803 B13R0.202 CCC(C)COCCCCOC(=O)C 34a_100000073216_100000748023 [0,2,0,0,0,0|2,0,0]=4 13804 B13R0.202 CCC(C)COCCCCOC(=O)C 7a_100000073216_100000748023 [0,2,0,0,0,0|2,0,0]=4 13805 B13R0.202 CCC(C)CSCCCCCB(O)O 62a_100000748023_200009817188 [0,2,0,0,0,0|1,0,1]=4 13806 B13R0.202 CCC(C)CSCCCCCB(O)O 62a_200009817188_100000748023 [0,2,0,0,0,0|1,0,1]=4 13807 B13R0.202 CCC(C)CSCCCCCC(=O)N 62a_100000748023_100009817443 [0,2,0,0,0,0|1,0,0]=3 13808 B13R0.202 CCC(C)CSCCCCCC(=O)N 62a_100009817443_100000748023 [0,2,0,0,0,0|1,0,0]=3 13809 B13R0.202 CCC(C)CSCCCCOC(=O)C 62a_100000033659_100000748023 [0,2,0,0,0,0|2,0,0]=4 13810 B13R0.202 CCC(C)CSCCCCOC(=O)C 62a_100000748023_100000033659 [0,2,0,0,0,0|2,0,0]=4 13811 B13R0.202 CCC(C)CSCCCCSC(=O)C 62a_100000748023_200010402107 [0,2,0,0,0,0|2,0,0]=4 13812 B13R0.202 CCC(C)CSCCCCSC(=O)C 62a_200010402107_100000748023 [0,2,0,0,0,0|2,0,0]=4 13813 B13R0.202 CCC(C)NCCCCCCB(O)O 2230a_100000209981_100009817187 [0,2,0,0,0,0|1,0,1]=4 13814 B13R0.202 CCC(C)NCCCCCNC(=O)C 2230a_200012022750_100000758301 [0,2,0,0,0,0|2,0,0]=4 13815 B13R0.202 CCC(C)NCCCCCNC(=O)C 34a_200012022750_100011215416 [0,2,0,0,0,0|2,0,0]=4 13816 B13R0.202 CCC(C)NCCCCCOC(=O)C 2230a_100000209981_100009813381 [0,2,0,0,0,0|2,0,0]=4 13817 B13R0.202 CCC(C)OCCCCCCB(O)O 7a_100000210228_100009817187 [0,2,0,0,0,0|1,0,1]=4 13818 B13R0.202 CCC(C)OCCCCCOC(=O)C 7a_100000210228_100000033007 [0,2,0,0,0,0|2,0,0]=4 13819 B13R0.202 CCC(C)SCCCCCCB(O)O 62a_100000758301_100009817187 [0,2,0,0,0,0|1,0,1]=4 13820 B13R0.202 CCC(C)SCCCCCCB(O)O 62a_100009817187_100000758301 [0,2,0,0,0,0|1,0,1]=4 13821 B13R0.202 CCC(C)SCCCCCOC(=O)C 62a_100000033007_100000758301 [0,2,0,0,0,0|2,0,0]=4 13822 B13R0.202 CCC(C)SCCCCCOC(=O)C 62a_100000758301_100000033007 [0,2,0,0,0,0|2,0,0]=4 13823 B13R0.202 CCC(O)CNCCCCCB(O)O 2230a_100011218483_200009817188 [0,2,0,0,0,0|1,0,1]=4 13824 B13R0.202 CCC(O)CNCCCCCC(=O)N 2230a_100011218483_100009817443 [0,2,0,0,0,0|1,0,0]=3 13825 B13R0.202 CCC(O)CNCCCCNC(=O)C 2230a_200011368371_100011218378 [0,2,0,0,0,0|2,0,0]=4 13826 B13R0.202 CCC(O)CNCCCCNC(=O)C 34a_200011368371_100011218378 [0,2,0,0,0,0|2,0,0]=4 13827 B13R0.202 CCC(O)CNCCCCSC(=O)C 2230a_100011218483_200010402107 [0,2,0,0,0,0|2,0,0]=4 13828 B13R0.202 CCC(O)COCCCCCC(=O)N 34a_100000123541_100011218378 [0,2,0,0,0,0|1,0,0]=3 13829 B13R0.202 CCC(O)COCCCCCC(=O)N 7a_100000123541_100011218378 [0,2,0,0,0,0|1,0,0]=3 13830 B13R0.202 CCC(O)COCCCCCC(=O)[O-] 7a_100102619762_100011218378 [0,2,0,0,0,0|0,0,1]=3 13831 B13R0.202 CCC(O)COCCCCOC(=O)C 34a_100000073216_100011218378 [0,2,0,0,0,0|2,0,0]=4 13832 B13R0.202 CCC(O)COCCCCOC(=O)C 7a_100000073216_100011218378 [0,2,0,0,0,0|2,0,0]=4 13833 B13R0.202 CCC(O)CSCCCCCB(O)O 62a_100011218378_200009817188 [0,2,0,0,0,0|1,0,1]=4 13834 B13R0.202 CCC(O)CSCCCCCB(O)O 62a_200009817188_100011218378 [0,2,0,0,0,0|1,0,1]=4 13835 B13R0.202 CCC(O)CSCCCCCC(=O)N 62a_100009817443_100011218378 [0,2,0,0,0,0|1,0,0]=3 13836 B13R0.202 CCC(O)CSCCCCCC(=O)N 62a_100011218378_100009817443 [0,2,0,0,0,0|1,0,0]=3 13837 B13R0.202 CCC(O)CSCCCCOC(=O)C 62a_100000033659_100011218378 [0,2,0,0,0,0|2,0,0]=4 13838 B13R0.202 CCC(O)CSCCCCOC(=O)C 62a_100011218378_100000033659 [0,2,0,0,0,0|2,0,0]=4 13839 B13R0.202 CCC(O)CSCCCCSC(=O)C 62a_100011218378_200010402107 [0,2,0,0,0,0|2,0,0]=4 13840 B13R0.202 CCC(O)CSCCCCSC(=O)C 62a_200010402107_100011218378 [0,2,0,0,0,0|2,0,0]=4 13841 B13R0.202 CCN(C)CCCOCCCC(=O)C 7a_100000759063_100015186262 [0,2,0,0,0,0|2,0,0]=4 13842 B13R0.202 CCN(C)CCCSCCCC(=O)C 62a_100011215641_100015186262 [0,2,0,0,0,0|2,0,0]=4 13843 B13R0.202 CCN(C)CCCSCCCC(=O)N 62a_100102525003_100015186262 [0,2,0,0,0,0|2,0,0]=4 13844 B13R0.202 CC[C@H](C)CNCCCCNC(=O)C 2230a_200011368371_100009816398 [0,2,0,0,0,0|2,0,0]=4 13845 B13R0.202 CC[C@H](C)CNCCCCNC(=O)C 34a_200011368371_100009816398 [0,2,0,0,0,0|2,0,0]=4 13846 B13R0.202 CC[C@H](C)COCCCCCB(O)O 7a_100009816381_200009817188 [0,2,0,0,0,0|1,0,1]=4 13847 B13R0.202 CC[C@H](C)COCCCCCC(=O)N 34a_100000123541_100009816398 [0,2,0,0,0,0|1,0,0]=3 13848 B13R0.202 CC[C@H](C)COCCCCCC(=O)N 7a_100000123541_100009816398 [0,2,0,0,0,0|1,0,0]=3 13849 B13R0.202 CC[C@H](C)COCCCCCC(=O)N 7a_100009816381_100009817443 [0,2,0,0,0,0|1,0,0]=3 13850 B13R0.202 CC[C@H](C)COCCCCCC(=O)[O-] 7a_100102619762_100009816398 [0,2,0,0,0,0|0,0,1]=3 13851 B13R0.202 CC[C@H](C)COCCCCOC(=O)C 34a_100000073216_100009816398 [0,2,0,0,0,0|2,0,0]=4 13852 B13R0.202 CC[C@H](C)COCCCCOC(=O)C 7a_100000073216_100009816398 [0,2,0,0,0,0|2,0,0]=4 13853 B13R0.202 CC[C@H](C)COCCCCOC(=O)C 7a_100009816381_100000033659 [0,2,0,0,0,0|2,0,0]=4 13854 B13R0.202 CC[C@H](C)COCCCCSC(=O)C 7a_100009816381_200010402107 [0,2,0,0,0,0|2,0,0]=4 13855 B13R0.202 CC[C@H](C)CSCCCCCB(O)O 62a_100009816398_200009817188 [0,2,0,0,0,0|1,0,1]=4 13856 B13R0.202 CC[C@H](C)CSCCCCCB(O)O 62a_200009817188_100009816398 [0,2,0,0,0,0|1,0,1]=4 13857 B13R0.202 CC[C@H](C)CSCCCCCC(=O)N 62a_100009816398_100009817443 [0,2,0,0,0,0|1,0,0]=3 13858 B13R0.202 CC[C@H](C)CSCCCCCC(=O)N 62a_100009817443_100009816398 [0,2,0,0,0,0|1,0,0]=3 13859 B13R0.202 CC[C@H](C)CSCCCCOC(=O)C 62a_100000033659_100009816398 [0,2,0,0,0,0|2,0,0]=4 13860 B13R0.202 CC[C@H](C)CSCCCCOC(=O)C 62a_100009816398_100000033659 [0,2,0,0,0,0|2,0,0]=4 13861 B13R0.202 CC[C@H](C)CSCCCCSC(=O)C 62a_100009816398_200010402107 [0,2,0,0,0,0|2,0,0]=4 13862 B13R0.202 CC[C@H](C)CSCCCCSC(=O)C 62a_200010402107_100009816398 [0,2,0,0,0,0|2,0,0]=4 13863 B13R0.202 CN(C)CCCCCCNC(=O)CO 240690a_200011233508_100000210174 [0,2,0,0,0,0|2,0,0]=4 13864 B13R0.202 CNC(=O)CCCNCCCC(C)C 2230a_100000740002_100011214892 [0,2,0,0,0,0|2,0,0]=4 13865 B13R0.202 CNC(=O)CCCNCCCC(C)C 2230a_200000737386_100000741757 [0,2,0,0,0,0|2,0,0]=4 13866 B13R0.202 CNC(=O)CCCNCCCC(C)C 34a_100000740002_100011214892 [0,2,0,0,0,0|2,0,0]=4 13867 B13R0.202 CNC(=O)CCCNCCCC(C)C 34a_200000737386_100000741757 [0,2,0,0,0,0|2,0,0]=4 13868 B13R0.202 CNC(=O)CCCNCCCC(C)O 2230a_100000740002_200000718107 [0,2,0,0,0,0|2,0,0]=4 13869 B13R0.202 CNC(=O)CCCNCCCC(C)O 34a_100000740002_200000718107 [0,2,0,0,0,0|2,0,0]=4 13870 B13R0.202 CNC(=O)CCCOCCCC(C)C 34a_100000210774_100000741757 [0,2,0,0,0,0|2,0,0]=4 13871 B13R0.202 CNC(=O)CCCOCCCC(C)C 7a_100000210774_100000741757 [0,2,0,0,0,0|2,0,0]=4 13872 B13R0.202 CNC(=O)CCCSCCCC(C)C 62a_100000741757_100011214892 [0,2,0,0,0,0|2,0,0]=4 13873 B13R0.202 CNC(=O)CCCSCCCC(C)C 62a_100011214892_100000741757 [0,2,0,0,0,0|2,0,0]=4 13874 B13R0.202 CNC(=O)CCCSCCCC(C)O 62a_100000741757_200000718107 [0,2,0,0,0,0|2,0,0]=4 13875 B13R0.202 CNC(=O)CCCSCCCC(C)O 62a_200000718107_100000741757 [0,2,0,0,0,0|2,0,0]=4 13876 B13R0.202 CNC(=O)CCNCCCCC(C)C 2230a_100000738227_100011216152 [0,2,0,0,0,0|2,0,0]=4 13877 B13R0.202 CNC(=O)CCNCCCCC(C)C 34a_100000738227_100011216152 [0,2,0,0,0,0|2,0,0]=4 13878 B13R0.202 CNC(=O)CCOCCCCC(C)C 34a_100000754576_100011216152 [0,2,0,0,0,0|2,0,0]=4 13879 B13R0.202 CNC(=O)CCOCCCCC(C)C 34a_100011214890_100012179268 [0,2,0,0,0,0|2,0,0]=4 13880 B13R0.202 CNC(=O)CCOCCCCC(C)C 7a_100011214890_100000737683 [0,2,0,0,0,0|2,0,0]=4 13881 B13R0.202 CNC(=O)CCSCCCCC(C)C 62a_100000737683_100011216152 [0,2,0,0,0,0|2,0,0]=4 13882 B13R0.202 CNC(=O)CCSCCCCC(C)C 62a_100011216152_100000737683 [0,2,0,0,0,0|2,0,0]=4 13883 B13R0.202 CNC(=O)CNCCCCCC(C)C 2230a_100000693194_100000210682 [0,2,0,0,0,0|2,0,0]=4 13884 B13R0.202 CNC(=O)CNCCCCCC(C)C 2230a_100011290863_100000183359 [0,2,0,0,0,0|2,0,0]=4 13885 B13R0.202 CNC(=O)CNCCCCCC(C)C 34a_100011290863_100000183359 [0,2,0,0,0,0|2,0,0]=4 13886 B13R0.202 CNC(=O)COCCCCCC(C)C 34a_100000750040_100000210682 [0,2,0,0,0,0|2,0,0]=4 13887 B13R0.202 CNC(=O)COCCCCCC(C)C 34a_100011995859_100000183359 [0,2,0,0,0,0|2,0,0]=4 13888 B13R0.202 CNC(=O)COCCCCCC(C)C 7a_100011995859_100000183359 [0,2,0,0,0,0|2,0,0]=4 13889 B13R0.202 CNC(=O)CSCCCCCC(C)C 62a_100000183359_100000210682 [0,2,0,0,0,0|2,0,0]=4 13890 B13R0.202 CNC(=O)CSCCCCCC(C)C 62a_100000210682_100000183359 [0,2,0,0,0,0|2,0,0]=4 13891 B13R0.202 CNC(=O)NCCCCCCC(C)C 2708a_100000211014_106832991635 [0,2,0,0,0,0|2,0,0]=4 13892 B13R0.202 CNC(=O)NCCCCCCC(C)C 2708a_100102657272_100000211014 [0,2,0,0,0,0|2,0,0]=4 13893 B13R0.202 CNC(=O)NCCCCCCC(C)C 273464a_100000211014_100102657272 [0,2,0,0,0,0|2,0,0]=4 13894 B13R0.202 CNC(=O)NCCCCCCC(C)C 273464a_100102657272_100000211014 [0,2,0,0,0,0|2,0,0]=4 13895 B13R0.202 CNC(=O)NCCCCCCC(C)C 512a_100000211014_100102657272 [0,2,0,0,0,0|2,0,0]=4 13896 B13R0.202 CNC(=O)NCCCCCCC(C)C 512a_106832991638_100000211014 [0,2,0,0,0,0|2,0,0]=4 13897 B13R0.202 COC(=O)CCCCCCCC(=O)C 1458a_100000033222_200000210301 [0,2,0,0,0,0|0,0,1]=3 13898 B13R0.202 COC(=O)CCCCCCCC(=O)C 1458a_100000070787_100010004213 [0,2,0,0,0,0|0,0,1]=3 13899 B13R0.202 COC(=O)CCCCCCCC(=O)[13CH3] 1458a_100000033222_200025704644 [0,2,0,0,0,0|0,0,1]=3 13900 B13R0.202 COC(=O)CCCCCCCN(C)C 2230a_100102631434_100010004213 [0,2,0,0,0,0|1,0,0]=3 13901 B13R0.202 COC(=O)CCCCCCCN(C)C 269982a_100102631434_100010004213 [0,2,0,0,0,0|1,0,0]=3 13902 B13R0.202 COC(=O)CCCCCCNC(=O)C 188690a_100000739044_100015343762 [0,2,0,0,0,0|1,0,1]=4 13903 B13R0.202 COC(=O)CCCCCCNC(C)C 2230a_100138425928_100009815986 [0,2,0,0,0,0|1,0,0]=3 13904 B13R0.202 COC(=O)CCCCCCNC(C)C 34a_100138425928_100009815986 [0,2,0,0,0,0|1,0,0]=3 13905 B13R0.202 COC(=O)CCCCCCOC(C)C 34a_100000212225_100009815986 [0,2,0,0,0,0|1,0,0]=3 13906 B13R0.202 COC(=O)CCCCCCOC(C)C 34a_100009863599_100000210206 [0,2,0,0,0,0|1,0,0]=3 13907 B13R0.202 COC(=O)CCCCCCOC(C)C 7a_100009863599_100000210206 [0,2,0,0,0,0|1,0,0]=3 13908 B13R0.202 COC(=O)CCCCCCSC(C)C 62a_100000210206_100009815986 [0,2,0,0,0,0|1,0,0]=3 13909 B13R0.202 COC(=O)CCCCCCSC(C)C 62a_100009815986_100000210206 [0,2,0,0,0,0|1,0,0]=3 13910 B13R0.202 COC(=O)CCCCCNCC(=O)O 269956a_100016091260_100009816466 [0,2,0,0,0,0|1,0,1]=4 13911 B13R0.202 COC(=O)CCCCCNCC(C)C 2230a_100000210953_100009816466 [0,2,0,0,0,0|1,0,0]=3 13912 B13R0.202 COC(=O)CCCCCNCC(C)C 34a_100000210953_100009816466 [0,2,0,0,0,0|1,0,0]=3 13913 B13R0.202 COC(=O)CCCCCNCC(C)O 2230a_100000210904_100009816466 [0,2,0,0,0,0|1,0,0]=3 13914 B13R0.202 COC(=O)CCCCCNCC(C)O 34a_100000210904_100009816466 [0,2,0,0,0,0|1,0,0]=3 13915 B13R0.202 COC(=O)CCCCCNCC(F)F 34a_100000765723_100009816466 [0,2,0,0,0,0|2,0,0]=4 13916 B13R0.202 COC(=O)CCCCCOCC(=O)C 34a_100000211253_100009816466 [0,2,0,0,0,0|1,0,1]=4 13917 B13R0.202 COC(=O)CCCCCOCC(C)Br 34a_100012180447_100009816466 [0,2,0,0,0,0|1,0,0]=3 13918 B13R0.202 COC(=O)CCCCCOCC(C)C 34a_100000074720_100000210624 [0,2,0,0,0,0|1,0,0]=3 13919 B13R0.202 COC(=O)CCCCCOCC(C)C 34a_100000210257_100009816466 [0,2,0,0,0,0|1,0,0]=3 13920 B13R0.202 COC(=O)CCCCCOCC(C)C 7a_100000074720_100000210760 [0,2,0,0,0,0|1,0,0]=3 13921 B13R0.202 COC(=O)CCCCCOCC(C)F 34a_100015925927_100009816466 [0,2,0,0,0,0|1,0,0]=3 13922 B13R0.202 COC(=O)CCCCCOCC(C)O 34a_100000074720_100011218427 [0,2,0,0,0,0|1,0,0]=3 13923 B13R0.202 COC(=O)CCCCCOCC(C)O 7a_100000074720_100011218427 [0,2,0,0,0,0|1,0,0]=3 13924 B13R0.202 COC(=O)CCCCCOCC(F)F 34a_100000074720_100011934356 [0,2,0,0,0,0|2,0,0]=4 13925 B13R0.202 COC(=O)CCCCCOCC(F)F 34a_100000743014_100009816466 [0,2,0,0,0,0|2,0,0]=4 13926 B13R0.202 COC(=O)CCCCCOCC(F)F 7a_100000074720_100011934356 [0,2,0,0,0,0|2,0,0]=4 13927 B13R0.202 COC(=O)CCCCCOC[C@@H](C)Cl 34a_100016084084_100009816466 [0,2,0,0,0,0|1,0,0]=3 13928 B13R0.202 COC(=O)CCCCCOC[C@@H](C)N 34a_100000737577_100009816466 [0,2,0,0,0,0|1,0,0]=3 13929 B13R0.202 COC(=O)CCCCCOC[C@@H](C)O 34a_100000074720_100009817552 [0,2,0,0,0,0|1,0,0]=3 13930 B13R0.202 COC(=O)CCCCCOC[C@@H](C)O 7a_100000074720_100009817552 [0,2,0,0,0,0|1,0,0]=3 13931 B13R0.202 COC(=O)CCCCCSCC(C)C 62a_100000210624_100009816466 [0,2,0,0,0,0|1,0,0]=3 13932 B13R0.202 COC(=O)CCCCCSCC(C)C 62a_100009816466_100000210760 [0,2,0,0,0,0|1,0,0]=3 13933 B13R0.202 COC(=O)CCCCCSCC(C)O 62a_100009816466_100011218427 [0,2,0,0,0,0|1,0,0]=3 13934 B13R0.202 COC(=O)CCCCCSCC(C)O 62a_100011218427_100009816466 [0,2,0,0,0,0|1,0,0]=3 13935 B13R0.202 COC(=O)CCCCCSCC(F)F 62a_100009816466_100011934356 [0,2,0,0,0,0|2,0,0]=4 13936 B13R0.202 COC(=O)CCCCCSCC(F)F 62a_100011934356_100009816466 [0,2,0,0,0,0|2,0,0]=4 13937 B13R0.202 COC(=O)CCCCCSC[C@@H](C)O 62a_100009816466_100009817552 [0,2,0,0,0,0|1,0,0]=3 13938 B13R0.202 COC(=O)CCCCCSC[C@@H](C)O 62a_100009817552_100009816466 [0,2,0,0,0,0|1,0,0]=3 13939 B13R0.202 COC(=O)CCCCNCCC(C)O 2230a_200000755665_100000204269 [0,2,0,0,0,0|1,0,0]=3 13940 B13R0.202 COC(=O)CCCCOCCC(=O)C 34a_100000759926_100000204269 [0,2,0,0,0,0|1,0,1]=4 13941 B13R0.202 COC(=O)CCCCOCCC(=O)C 7a_100000059025_100000053229 [0,2,0,0,0,0|1,0,1]=4 13942 B13R0.202 COC(=O)CCCCOCCC(=O)C 7a_100000759926_100000204269 [0,2,0,0,0,0|1,0,1]=4 13943 B13R0.202 COC(=O)CCCCOCCC(C)Br 34a_100009893172_100000204269 [0,2,0,0,0,0|1,0,0]=3 13944 B13R0.202 COC(=O)CCCCOCCC(C)C 34a_100000059025_100000210312 [0,2,0,0,0,0|1,0,0]=3 13945 B13R0.202 COC(=O)CCCCOCCC(C)C 34a_100000210254_100000204269 [0,2,0,0,0,0|1,0,0]=3 13946 B13R0.202 COC(=O)CCCCOCCC(C)C 7a_100000059025_100000210626 [0,2,0,0,0,0|1,0,0]=3 13947 B13R0.202 COC(=O)CCCCOCCC(C)C 7a_100000210254_100000204269 [0,2,0,0,0,0|1,0,0]=3 13948 B13R0.202 COC(=O)CCCCOCCC(C)O 34a_100000059025_100012276601 [0,2,0,0,0,0|1,0,0]=3 13949 B13R0.202 COC(=O)CCCCOCCC(C)O 7a_100000059025_100012276601 [0,2,0,0,0,0|1,0,0]=3 13950 B13R0.202 COC(=O)CCCCOCCC(F)F 34a_100103093639_100000204269 [0,2,0,0,0,0|2,0,0]=4 13951 B13R0.202 COC(=O)CCCCOCCN(C)C 7a_100000059025_100000755713 [0,2,0,0,0,0|2,0,0]=4 13952 B13R0.202 COC(=O)CCCCOCC[C@@H](C)N 34a_100000706166_100000204269 [0,2,0,0,0,0|1,0,0]=3 13953 B13R0.202 COC(=O)CCCCOCOC(C)C 34a_100000059025_100000709892 [0,2,0,0,0,0|2,0,0]=4 13954 B13R0.202 COC(=O)CCCCSCCC(=O)C 62a_100000053229_100000204269 [0,2,0,0,0,0|1,0,1]=4 13955 B13R0.202 COC(=O)CCCCSCCC(=O)C 62a_100000204269_100000053229 [0,2,0,0,0,0|1,0,1]=4 13956 B13R0.202 COC(=O)CCCCSCCC(C)C 62a_100000204269_100000210312 [0,2,0,0,0,0|1,0,0]=3 13957 B13R0.202 COC(=O)CCCCSCCC(C)C 62a_100000210312_100000204269 [0,2,0,0,0,0|1,0,0]=3 13958 B13R0.202 COC(=O)CCCCSCCC(C)O 62a_100000204269_100012276601 [0,2,0,0,0,0|1,0,0]=3 13959 B13R0.202 COC(=O)CCCCSCCC(C)O 62a_100012276601_100000204269 [0,2,0,0,0,0|1,0,0]=3 13960 B13R0.202 COC(=O)CCCCSCCN(C)C 62a_100000204269_100000755713 [0,2,0,0,0,0|2,0,0]=4 13961 B13R0.202 COC(=O)CCCCSCOC(C)C 62a_100000204269_100000709892 [0,2,0,0,0,0|2,0,0]=4 13962 B13R0.202 COC(=O)CCCCSCOC(C)C 62a_100000709892_100000204269 [0,2,0,0,0,0|2,0,0]=4 13963 B13R0.202 COC(=O)CCCNCCCC(C)C 2230a_200000737386_100011218270 [0,2,0,0,0,0|1,0,0]=3 13964 B13R0.202 COC(=O)CCCNCCCC(C)C 34a_200000737386_100000742333 [0,2,0,0,0,0|1,0,0]=3 13965 B13R0.202 COC(=O)CCCNCCCS(=O)C 2230a_200000753449_100011218270 [0,2,0,0,0,0|2,0,0]=4 13966 B13R0.202 COC(=O)CCCNCCOC(C)C 2230a_100000701111_100011218270 [0,2,0,0,0,0|2,0,0]=4 13967 B13R0.202 COC(=O)CCCNCCOC(C)C 34a_100000701111_100000742333 [0,2,0,0,0,0|2,0,0]=4 13968 B13R0.202 COC(=O)CCCNCCSC(C)C 2230a_100000731138_100011218270 [0,2,0,0,0,0|2,0,0]=4 13969 B13R0.202 COC(=O)CCCNCCSC(C)C 34a_100000731138_100000742333 [0,2,0,0,0,0|2,0,0]=4 13970 B13R0.202 COC(=O)CCCOCCCC(=O)C 34a_100000759063_100000742333 [0,2,0,0,0,0|1,0,1]=4 13971 B13R0.202 COC(=O)CCCOCCCC(=O)C 7a_100000759063_100011218270 [0,2,0,0,0,0|1,0,1]=4 13972 B13R0.202 COC(=O)CCCOCCCC(C)C 34a_100000210774_100000742333 [0,2,0,0,0,0|1,0,0]=3 13973 B13R0.202 COC(=O)CCCOCCCC(C)C 7a_100000210774_100011218270 [0,2,0,0,0,0|1,0,0]=3 13974 B13R0.202 COC(=O)CCCOCCNC(C)C 34a_100000224655_100000742333 [0,2,0,0,0,0|2,0,0]=4 13975 B13R0.202 COC(=O)CCCOCCOC(C)C 34a_100000211219_100000742333 [0,2,0,0,0,0|2,0,0]=4 13976 B13R0.202 COC(=O)CCCOCCOC(C)C 7a_100000211219_100011218270 [0,2,0,0,0,0|2,0,0]=4 13977 B13R0.202 COC(=O)CCCOCCSC(C)C 34a_200011212901_100000742333 [0,2,0,0,0,0|2,0,0]=4 13978 B13R0.202 COC(=O)CCCOCCSC(C)C 7a_200011212901_100011218270 [0,2,0,0,0,0|2,0,0]=4 13979 B13R0.202 COC(=O)CCCSCCCC(=O)C 62a_100011215641_100011218270 [0,2,0,0,0,0|1,0,1]=4 13980 B13R0.202 COC(=O)CCCSCCCC(=O)C 62a_100011218270_100011215641 [0,2,0,0,0,0|1,0,1]=4 13981 B13R0.202 COC(=O)CCCSCCCC(C)C 62a_100011214892_100011218270 [0,2,0,0,0,0|1,0,0]=3 13982 B13R0.202 COC(=O)CCCSCCCC(C)C 62a_100011218270_100011214892 [0,2,0,0,0,0|1,0,0]=3 13983 B13R0.202 COC(=O)CCCSCCCC(C)O 62a_100011218270_200000718107 [0,2,0,0,0,0|1,0,0]=3 13984 B13R0.202 COC(=O)CCCSCCCC(C)O 62a_200000718107_100011218270 [0,2,0,0,0,0|1,0,0]=3 13985 B13R0.202 COC(=O)CCCSCCCN(C)C 62a_100011218270_100000757444 [0,2,0,0,0,0|2,0,0]=4 13986 B13R0.202 COC(=O)CCCSCCOC(C)C 62a_100000211751_100011218270 [0,2,0,0,0,0|2,0,0]=4 13987 B13R0.202 COC(=O)CCCSCCOC(C)C 62a_100011218270_100000211751 [0,2,0,0,0,0|2,0,0]=4 13988 B13R0.202 COC(=O)CCCSCCSC(C)C 62a_100000730970_100011218270 [0,2,0,0,0,0|2,0,0]=4 13989 B13R0.202 COC(=O)CCCSCCSC(C)C 62a_100011218270_100000730970 [0,2,0,0,0,0|2,0,0]=4 13990 B13R0.202 COC(=O)CCNCCCOC(C)C 2230a_100000737246_100000204255 [0,2,0,0,0,0|2,0,0]=4 13991 B13R0.202 COC(=O)CCNCCCOC(C)C 34a_100000737246_100000742370 [0,2,0,0,0,0|2,0,0]=4 13992 B13R0.202 COC(=O)CCOCCCCC(C)C 34a_100011214890_100000742370 [0,2,0,0,0,0|1,0,0]=3 13993 B13R0.202 COC(=O)CCOCCCCC(C)C 7a_100011214890_100000204255 [0,2,0,0,0,0|1,0,0]=3 13994 B13R0.202 COC(=O)CCOCCCNC(C)C 34a_100000182298_100000742370 [0,2,0,0,0,0|2,0,0]=4 13995 B13R0.202 COC(=O)CCOCCNCC(C)C 34a_100015185251_100000742370 [0,2,0,0,0,0|2,0,0]=4 13996 B13R0.202 COC(=O)CCOCCOCC(C)C 34a_100000703358_100000742370 [0,2,0,0,0,0|2,0,0]=4 13997 B13R0.202 COC(=O)CCOCCOCC(C)C 7a_100000703358_100000204255 [0,2,0,0,0,0|2,0,0]=4 13998 B13R0.202 COC(=O)CCOCCSCC(C)C 34a_200000230437_100000742370 [0,2,0,0,0,0|2,0,0]=4 13999 B13R0.202 COC(=O)CCOCCSCC(C)C 7a_200000230437_100000204255 [0,2,0,0,0,0|2,0,0]=4 14000 B13R0.202 COC(=O)CCSCCCCC(=O)C 62a_100000204255_100000735457 [0,2,0,0,0,0|1,0,1]=4 14001 B13R0.202 COC(=O)CCSCCCCC(=O)C 62a_100000735457_100000204255 [0,2,0,0,0,0|1,0,1]=4 14002 B13R0.202 COC(=O)CCSCCCCC(C)C 62a_100000204255_100011216152 [0,2,0,0,0,0|1,0,0]=3 14003 B13R0.202 COC(=O)CCSCCCCC(C)C 62a_100011216152_100000204255 [0,2,0,0,0,0|1,0,0]=3 14004 B13R0.202 COC(=O)CCSCCCCN(C)C 62a_100000204255_100000690147 [0,2,0,0,0,0|2,0,0]=4 14005 B13R0.202 COC(=O)CNCCCCCC(C)C 2230a_100011290863_100000747449 [0,2,0,0,0,0|1,0,0]=3 14006 B13R0.202 COC(=O)CNCCCCCC(C)C 34a_100011290863_100000747449 [0,2,0,0,0,0|1,0,0]=3 14007 B13R0.202 COC(=O)CNCCCOCC(C)C 2230a_100000205972_100000747449 [0,2,0,0,0,0|2,0,0]=4 14008 B13R0.202 COC(=O)CNCCCOCC(C)C 34a_100000205972_100000747449 [0,2,0,0,0,0|2,0,0]=4 14009 B13R0.202 COC(=O)COCCCCCC(C)C 34a_100011995859_100000747449 [0,2,0,0,0,0|1,0,0]=3 14010 B13R0.202 COC(=O)COCCCCCC(C)C 7a_100011995859_100000747449 [0,2,0,0,0,0|1,0,0]=3 14011 B13R0.202 COC(=O)COCCCCNC(C)C 34a_100011521146_100000747449 [0,2,0,0,0,0|2,0,0]=4 14012 B13R0.202 COC(=O)COCCNCCC(C)O 2230a_200000755665_100000090808 [0,2,0,0,0,0|2,0,0]=4 14013 B13R0.202 COC(=O)COCCOCCC(C)Br 34a_100009893172_100000090808 [0,2,0,0,0,0|2,0,0]=4 14014 B13R0.202 COC(=O)COCCOCCC(C)C 34a_100000210254_100000090808 [0,2,0,0,0,0|2,0,0]=4 14015 B13R0.202 COC(=O)COCCOCCC(C)C 7a_100000210254_100000090808 [0,2,0,0,0,0|2,0,0]=4 14016 B13R0.202 COC(=O)COCCOCC[C@@H](C)N 34a_100000706166_100000090808 [0,2,0,0,0,0|2,0,0]=4 14017 B13R0.202 COC(=O)COCCSCCC(C)C 62a_100000090808_100000210312 [0,2,0,0,0,0|2,0,0]=4 14018 B13R0.202 COC(=O)COCCSCCC(C)C 62a_100000210312_100000090808 [0,2,0,0,0,0|2,0,0]=4 14019 B13R0.202 COC(=O)COCCSCCC(C)O 62a_100000090808_100012276601 [0,2,0,0,0,0|2,0,0]=4 14020 B13R0.202 COC(=O)COCCSCCC(C)O 62a_100012276601_100000090808 [0,2,0,0,0,0|2,0,0]=4 14021 B13R0.202 COC(=O)CSCCCCCC(C)C 62a_100000210682_100000747449 [0,2,0,0,0,0|1,0,0]=3 14022 B13R0.202 COC(=O)CSCCCCCC(C)C 62a_100000747449_100000210682 [0,2,0,0,0,0|1,0,0]=3 14023 B13R0.202 COC(=O)NCCOCCCC(C)C 34a_100000757965_100011214892 [0,2,0,0,0,0|2,0,0]=4 14024 B13R0.202 COC(=O)NCCOCCCC(C)O 34a_100000757965_200000718107 [0,2,0,0,0,0|2,0,0]=4 14025 B13R0.202 COC(=O)OCCOCCCC(C)C 34a_100010262106_100011214892 [0,2,0,0,0,0|2,0,0]=4 14026 B13R0.202 COC(=O)OCCOCCCC(C)O 34a_100010262106_200000718107 [0,2,0,0,0,0|2,0,0]=4 14027 B13R0.202 COC(=O)OCSCCCCC(C)C 62a_100011216152_100000139417 [0,2,0,0,0,0|2,0,0]=4 14028 B13R0.202 COC(C)CCOCCCCC(=O)C 7a_100000764861_100000735457 [0,2,0,0,0,0|2,0,0]=4 14029 B13R0.202 COC(C)COCCCCCC(=O)N 34a_100000690652_100009817443 [0,2,0,0,0,0|2,0,0]=4 14030 B13R0.202 CO[C@H](C)CNCCCCCC(=O)N 2230a_100020591295_100009817443 [0,2,0,0,0,0|2,0,0]=4 14031 B13R0.202 C[C@@H](CN)CCCOCCCC(=O)N 34a_100160569302_100102525003 [0,2,0,0,0,0|2,0,0]=4 14032 B13R0.202 C[C@@H](CO)COCCCCCC(=O)N 34a_100000123541_100000059175 [0,2,0,0,0,0|2,0,0]=4 14033 B13R0.202 C[C@@H](CO)COCCCCCC(=O)N 7a_100000123541_100000059175 [0,2,0,0,0,0|2,0,0]=4 14034 B13R0.202 C[C@@H](CO)COCCCCCC(=O)[O-] 7a_100102619762_100000059175 [0,2,0,0,0,0|1,0,1]=4 14035 B13R0.202 C[C@@H](CO)CSCCCCCC(=O)N 62a_100000059175_100009817443 [0,2,0,0,0,0|2,0,0]=4 14036 B13R0.202 C[C@@H](CO)CSCCCCCC(=O)N 62a_100009817443_100000059175 [0,2,0,0,0,0|2,0,0]=4 14037 B13R0.202 NC(=O)CCCCCNC[C@@H](F)CO 34a_100015665980_100009817443 [0,2,0,0,0,0|2,0,0]=4 14038 B13R0.202 NC(=O)CCCCCNC[C@H](O)CO 2230a_100020644852_100009817443 [0,2,0,0,0,0|2,0,0]=4 14039 B13R0.202 NC(=O)CCCCCOCC(Cl)CCl 34a_100000033668_100009817443 [0,2,0,0,0,0|2,0,0]=4 14040 B13R0.202 NC(=O)CCCCCOCC(O)CO 34a_100000123541_100011219619 [0,2,0,0,0,0|2,0,0]=4 14041 B13R0.202 NC(=O)CCCCCOCC(O)CO 7a_100000123541_100011219619 [0,2,0,0,0,0|2,0,0]=4 14042 B13R0.202 NC(=O)CCCCCOC[C@@H](O)CF 34a_100000123541_100015614560 [0,2,0,0,0,0|2,0,0]=4 14043 B13R0.202 NC(=O)CCCCCOC[C@@H](O)CF 7a_100000123541_100015614560 [0,2,0,0,0,0|2,0,0]=4 14044 B13R0.202 NC(=O)CCCCCOC[C@@H](O)CO 34a_100000123541_100009815848 [0,2,0,0,0,0|2,0,0]=4 14045 B13R0.202 NC(=O)CCCCCOC[C@@H](O)CO 7a_100000123541_100009815848 [0,2,0,0,0,0|2,0,0]=4 14046 B13R0.202 NC(=O)CCCCCSCC(O)CO 62a_100009817443_100011219619 [0,2,0,0,0,0|2,0,0]=4 14047 B13R0.202 NC(=O)CCCCCSCC(O)CO 62a_100011219619_100009817443 [0,2,0,0,0,0|2,0,0]=4 14048 B13R0.202 NC(=O)CCCCCSC[C@@H](O)CF 62a_100009817443_100015614560 [0,2,0,0,0,0|2,0,0]=4 14049 B13R0.202 NC(=O)CCCCCSC[C@@H](O)CF 62a_100015614560_100009817443 [0,2,0,0,0,0|2,0,0]=4 14050 B13R0.202 NC(=O)CCCCCSC[C@@H](O)CO 62a_100009815848_100009817443 [0,2,0,0,0,0|2,0,0]=4 14051 B13R0.202 NC(=O)CCCCCSC[C@@H](O)CO 62a_100009817443_100009815848 [0,2,0,0,0,0|2,0,0]=4 14052 B13R0.202 NC[C@@H](F)COCCCCCC(=O)N 34a_100015665980_100009817443 [0,2,0,0,0,0|2,0,0]=4 14053 B13R0.202 O=C([O-])CCCCCOCC(O)CO 7a_100102619762_100011219619 [0,2,0,0,0,0|1,0,1]=4 14054 B13R0.202 O=C([O-])CCCCCOC[C@@H](O)CF 7a_100102619762_100015614560 [0,2,0,0,0,0|1,0,1]=4 14055 B13R0.202 O=C([O-])CCCCCOC[C@@H](O)CO 7a_100102619762_100009815848 [0,2,0,0,0,0|1,0,1]=4 14056 B13R0.2 C#CCC(=O)CCCCCCCCC 1458a_100000210558_100000184674 [0,2,0,0,0,0|1,0,0]=3 14057 B13R0.2 C#CCC(=O)CCCCCCCCC 1458a_100011220946_100000210670 [0,2,0,0,0,0|1,0,0]=3 14058 B13R0.2 C#CCC(=O)CCCCCCCCO 1458a_100011220946_100000033203 [0,2,0,0,0,0|2,0,0]=4 14059 B13R0.2 C#CCC(=O)NCCCCCCCC 1626a_100000229939_100011220946 [0,2,0,0,0,0|2,0,0]=4 14060 B13R0.2 C#CCC(=O)NCCCCCCCC 527a_100000229939_100011220946 [0,2,0,0,0,0|2,0,0]=4 14061 B13R0.2 C#CCCCCCCCC(=O)CCO 1458a_100000087357_100000211926 [0,2,0,0,0,0|0,0,2]=4 14062 B13R0.2 C#CCCCCCCCC(=O)CCO 1458a_100011216618_100153394163 [0,2,0,0,0,0|0,0,2]=4 14063 B13R0.2 C#CCCCCCCCC(=O)COC 1458a_100000210968_100153394163 [0,2,0,0,0,0|0,0,2]=4 14064 B13R0.2 C=CCC(=O)CCCCCCCCC 1458a_100000210193_100000210670 [0,2,0,0,0,0|1,0,0]=3 14065 B13R0.2 C=CCC(=O)CCCCCCCCC 1458a_100000210558_100000210623 [0,2,0,0,0,0|1,0,0]=3 14066 B13R0.2 C=CCC(=O)CCCCCCCCO 1458a_100000210193_100000033203 [0,2,0,0,0,0|2,0,0]=4 14067 B13R0.2 C=CCC(=O)NCCCCCCCC 11a_100000229939_100000210193 [0,2,0,0,0,0|2,0,0]=4 14068 B13R0.2 C=CCC(=O)NCCCCCCCC 1626a_100000229939_100000210193 [0,2,0,0,0,0|2,0,0]=4 14069 B13R0.2 C=CCC(=O)NCCCCCCCC 240690a_100000229939_100000210193 [0,2,0,0,0,0|2,0,0]=4 14070 B13R0.2 C=CCC(=O)NCCCCCCCC 527a_100000229939_100000210193 [0,2,0,0,0,0|2,0,0]=4 14071 B13R0.2 C=CCCCCCCCC(=O)CCO 1458a_100011216160_100000211926 [0,2,0,0,0,0|0,0,2]=4 14072 B13R0.2 C=CCCCCCCCC(=O)CCO 1458a_100011216618_100012355270 [0,2,0,0,0,0|0,0,2]=4 14073 B13R0.2 C=CCCCCCCCC(=O)COC 1458a_100000210968_100012355270 [0,2,0,0,0,0|0,0,2]=4 14074 B13R0.2 C=COC(=O)CNCCCCCCC 2230a_100000229938_100000036128 [0,2,0,0,0,0|1,0,0]=3 14075 B13R0.2 C=COC(=O)CNCCCCCCO 2230a_100000686447_100000036128 [0,2,0,0,0,0|2,0,0]=4 14076 B13R0.2 C=COC(=O)CNCCCCCCO 34a_100000686447_100000036128 [0,2,0,0,0,0|2,0,0]=4 14077 B13R0.2 C=COC(=O)CNCCCCCOC 2230a_100000747528_100000036128 [0,2,0,0,0,0|2,0,0]=4 14078 B13R0.2 C=COC(=O)CNCCCCCOC 34a_100000747528_100000036128 [0,2,0,0,0,0|2,0,0]=4 14079 B13R0.2 C=COC(=O)CNCCCOCCC 2230a_100011217757_100000036128 [0,2,0,0,0,0|2,0,0]=4 14080 B13R0.2 C=COC(=O)CNCCCOCCC 34a_100011217757_100000036128 [0,2,0,0,0,0|2,0,0]=4 14081 B13R0.2 C=COC(=O)CNCCSCCCC 2230a_100025743550_100000036128 [0,2,0,0,0,0|2,0,0]=4 14082 B13R0.2 C=COC(=O)COCCCCCCBr 34a_100011215345_100000036128 [0,2,0,0,0,0|2,0,0]=4 14083 B13R0.2 C=COC(=O)COCCCCCCC 34a_100000210272_100000036128 [0,2,0,0,0,0|1,0,0]=3 14084 B13R0.2 C=COC(=O)COCCCCCCCl 34a_100000766143_100000036128 [0,2,0,0,0,0|2,0,0]=4 14085 B13R0.2 C=COC(=O)COCCCCCCF 34a_100000732779_100000036128 [0,2,0,0,0,0|2,0,0]=4 14086 B13R0.2 C=COC(=O)COCCCCCCN 34a_100000686447_100000036128 [0,2,0,0,0,0|2,0,0]=4 14087 B13R0.2 C=COC(=O)COCCCCCNC 34a_100000722520_100000036128 [0,2,0,0,0,0|2,0,0]=4 14088 B13R0.2 C=COC(=O)COCCOCCCC 34a_100000210238_100000036128 [0,2,0,0,0,0|2,0,0]=4 14089 B13R0.2 C=COC(=O)COCCSCCCC 34a_200000230436_100000036128 [0,2,0,0,0,0|2,0,0]=4 14090 B13R0.2 C=COC(=O)CSCCCCCCC 62a_100000036128_100000210316 [0,2,0,0,0,0|1,0,0]=3 14091 B13R0.2 C=COC(=O)CSCCCCCCC 62a_100000210614_100000036128 [0,2,0,0,0,0|1,0,0]=3 14092 B13R0.2 C=COC(=O)CSCCCCCCF 62a_100000036128_100015922095 [0,2,0,0,0,0|2,0,0]=4 14093 B13R0.2 C=COC(=O)CSCCCCCCF 62a_100015922095_100000036128 [0,2,0,0,0,0|2,0,0]=4 14094 B13R0.2 C=COC(=O)CSCCCCCCO 62a_100000036128_100000766143 [0,2,0,0,0,0|2,0,0]=4 14095 B13R0.2 C=COC(=O)CSCCCCCCO 62a_100000766143_100000036128 [0,2,0,0,0,0|2,0,0]=4 14096 B13R0.2 C=COC(=O)CSCCOCCCC 62a_100000036128_100000743108 [0,2,0,0,0,0|2,0,0]=4 14097 B13R0.2 C=COC(=O)CSCCOCCCC 62a_100000743108_100000036128 [0,2,0,0,0,0|2,0,0]=4 14098 B13R0.2 CC#CC(=O)CCCCCCCCC 1458a_100000763181_100000210670 [0,2,0,0,0,0|1,0,0]=3 14099 B13R0.2 CC#CC(=O)CCCCCCCCO 1458a_100000763181_100000033203 [0,2,0,0,0,0|2,0,0]=4 14100 B13R0.2 CC=CC(=O)CCCCCCCCC 1458a_100000210699_100000210670 [0,2,0,0,0,0|1,0,0]=3 14101 B13R0.2 CC=CC(=O)CCCCCCCCO 1458a_100000210699_100000033203 [0,2,0,0,0,0|2,0,0]=4 14102 B13R0.2 CC=CC(=O)NCCCCCCCC 11a_100000229939_100000210699 [0,2,0,0,0,0|2,0,0]=4 14103 B13R0.2 CC=CC(=O)NCCCCCCCC 1626a_100000229939_100000210699 [0,2,0,0,0,0|2,0,0]=4 14104 B13R0.2 CC=CC(=O)NCCCCCCCC 240690a_100000229939_100000210699 [0,2,0,0,0,0|2,0,0]=4 14105 B13R0.2 CCCC(=O)CCCCCCCCO 1458a_100000211992_100000033203 [0,2,0,0,0,0|2,0,0]=4 14106 B13R0.2 CCCCC#CCCCC(=O)CCO 1458a_100011216618_200000047210 [0,2,0,0,0,0|0,0,2]=4 14107 B13R0.2 CCCCC#CCCCC(=O)COC 1458a_100000210968_200000047210 [0,2,0,0,0,0|0,0,2]=4 14108 B13R0.2 CCCCC/C=C/CCC(=O)CCO 1458a_200015255902_100000211926 [0,2,0,0,0,0|0,0,2]=4 14109 B13R0.2 CCCCCC/C=C/CC(=O)CCO 1458a_100020681715_100000211926 [0,2,0,0,0,0|0,0,2]=4 14110 B13R0.2 CCCCCCCC=CC(=O)CCO 1458a_200015332781_100000211926 [0,2,0,0,0,0|0,0,2]=4 14111 B13R0.2 CCCCCCCCCC(=O)C=CBr 1458a_100016273825_100000210670 [0,2,0,0,0,0|1,0,0]=3 14112 B13R0.2 CCCCCCCCCC(=O)C=CCl 1458a_200016279998_100000210670 [0,2,0,0,0,0|1,0,0]=3 14113 B13R0.2 CCCCCCCCCC(=O)C=CI 1458a_100016256311_100000210670 [0,2,0,0,0,0|1,0,0]=3 14114 B13R0.2 CCCCCCCCCC(=O)CC#N 1458a_100000210558_100011214920 [0,2,0,0,0,0|1,0,0]=3 14115 B13R0.2 CCCCCCCCCC(=O)CC#N 1458a_100051588842_100000210670 [0,2,0,0,0,0|1,0,0]=3 14116 B13R0.2 CCCCCCCCCC(=O)CCC 1458a_100000210558_100000210303 [0,2,0,0,0,0|1,0,0]=3 14117 B13R0.2 CCCCCCCCCC(=O)CCC 1458a_100000211992_100000210670 [0,2,0,0,0,0|1,0,0]=3 14118 B13R0.2 CCCCCCCCCC(=O)CCF 1458a_100000210558_100011217306 [0,2,0,0,0,0|1,0,0]=3 14119 B13R0.2 CCCCCCCCCC(=O)CCO 1458a_100000210558_100000211926 [0,2,0,0,0,0|0,0,0]=2 14120 B13R0.2 CCCCCCCCCC(=O)CCO 1458a_100011216618_100000210670 [0,2,0,0,0,0|0,0,0]=2 14121 B13R0.2 CCCCCCCCCC(=O)COC 1458a_100000210968_100000210670 [0,2,0,0,0,0|0,0,0]=2 14122 B13R0.2 CCCCCCCCCC(=O)CSC 1458a_100000184570_100000210670 [0,2,0,0,0,0|0,1,0]=3 14123 B13R0.2 CCCCCCCCCC(=O)NCC 11a_100015525214_100000210558 [0,2,0,0,0,0|1,0,0]=3 14124 B13R0.2 CCCCCCCCCC(=O)NCC 240690a_100015525214_100000210558 [0,2,0,0,0,0|1,0,0]=3 14125 B13R0.2 CCCCCCCCCC(=O)NCC 527a_100015525214_100000210558 [0,2,0,0,0,0|1,0,0]=3 14126 B13R0.2 CCCCCCCCCC(=O)NNC 22a_100016993582_100000210558 [0,2,0,0,0,0|1,0,0]=3 14127 B13R0.2 CCCCCCCCCC(C)OCC 34a_100011218016_100000210202 [0,2,0,0,0,0|1,0,1]=4 14128 B13R0.2 CCCCCCCCCC(C)OCC 7a_100011218016_100000210202 [0,2,0,0,0,0|1,0,1]=4 14129 B13R0.2 CCCCCCCCCC(C)OCF 34a_100011218016_100015361967 [0,2,0,0,0,0|1,0,1]=4 14130 B13R0.2 CCCCCCCCCC(C)OCF 7a_100011218016_100015361967 [0,2,0,0,0,0|1,0,1]=4 14131 B13R0.2 CCCCCCCCCN(C)CC=O 2230a_100000232482_200015260668 [0,2,0,0,0,0|2,0,0]=4 14132 B13R0.2 CCCCCCCCCN(C)CC=O 269982a_100000232482_200015260668 [0,2,0,0,0,0|2,0,0]=4 14133 B13R0.2 CCCCCCCCCN(C)CCO 2230a_100000210263_100011214924 [0,2,0,0,0,0|2,0,0]=4 14134 B13R0.2 CCCCCCCCCN(C)CCO 2230a_100000232482_100000211926 [0,2,0,0,0,0|2,0,0]=4 14135 B13R0.2 CCCCCCCCCN(C)CCO 269982a_100000210263_100000210670 [0,2,0,0,0,0|2,0,0]=4 14136 B13R0.2 CCCCCCCCCN(C)CCO 269982a_100000232482_100000211926 [0,2,0,0,0,0|2,0,0]=4 14137 B13R0.2 CCCCCCCCCN(C)COC 2230a_100000232482_100000766300 [0,2,0,0,0,0|2,0,0]=4 14138 B13R0.2 CCCCCCCCCN(C)COC 269982a_100000232482_100000766300 [0,2,0,0,0,0|2,0,0]=4 14139 B13R0.2 CCCCCCCCNC(=O)C=CBr 1626a_100000229939_100016273825 [0,2,0,0,0,0|2,0,0]=4 14140 B13R0.2 CCCCCCCCNC(=O)C=CBr 240690a_100000229939_100016273825 [0,2,0,0,0,0|2,0,0]=4 14141 B13R0.2 CCCCCCCCNC(=O)C=CCl 11a_100000229939_200016279998 [0,2,0,0,0,0|2,0,0]=4 14142 B13R0.2 CCCCCCCCNC(=O)C=CCl 1626a_100000229939_200016279998 [0,2,0,0,0,0|2,0,0]=4 14143 B13R0.2 CCCCCCCCNC(=O)C=CCl 240690a_100000229939_200016279998 [0,2,0,0,0,0|2,0,0]=4 14144 B13R0.2 CCCCCCCCNC(=O)C=CI 1626a_100000229939_100016256311 [0,2,0,0,0,0|2,0,0]=4 14145 B13R0.2 CCCCCCCCNC(=O)CC#N 1626a_100000229939_100051588842 [0,2,0,0,0,0|2,0,0]=4 14146 B13R0.2 CCCCCCCCNC(=O)CC#N 240690a_100000229939_100051588842 [0,2,0,0,0,0|2,0,0]=4 14147 B13R0.2 CCCCCCCCNC(=O)CCC 11a_100000229939_100000211992 [0,2,0,0,0,0|2,0,0]=4 14148 B13R0.2 CCCCCCCCNC(=O)CCC 1626a_100000229939_100000211992 [0,2,0,0,0,0|2,0,0]=4 14149 B13R0.2 CCCCCCCCNC(=O)CCC 240690a_100000229939_100000211992 [0,2,0,0,0,0|2,0,0]=4 14150 B13R0.2 CCCCCCCCNC(=O)CCC 527a_100000229939_100000211992 [0,2,0,0,0,0|2,0,0]=4 14151 B13R0.2 CCCCCCCCNC(=O)CCO 240690a_100000229939_100011216618 [0,2,0,0,0,0|1,0,0]=3 14152 B13R0.2 CCCCCCCCNC(=O)COC 11a_100000229939_100000210968 [0,2,0,0,0,0|1,0,0]=3 14153 B13R0.2 CCCCCCCCNC(=O)COC 1626a_100000229939_100000210968 [0,2,0,0,0,0|1,0,0]=3 14154 B13R0.2 CCCCCCCCNC(=O)COC 240690a_100000229939_100000210968 [0,2,0,0,0,0|1,0,0]=3 14155 B13R0.2 CCCCCCCCNC(=O)COC 527a_100000229939_100000210968 [0,2,0,0,0,0|1,0,0]=3 14156 B13R0.2 CCCCCCCCNC(=O)CSC 11a_100000229939_100000184570 [0,2,0,0,0,0|1,1,0]=4 14157 B13R0.2 CCCCCCCCNC(=O)CSC 1626a_100000229939_100000184570 [0,2,0,0,0,0|1,1,0]=4 14158 B13R0.2 CCCCCCCCNC(=O)CSC 240690a_100000229939_100000184570 [0,2,0,0,0,0|1,1,0]=4 14159 B13R0.2 CCCCCCCCNC(=O)CSC 527a_100000229939_100000184570 [0,2,0,0,0,0|1,1,0]=4 14160 B13R0.2 CCCCCCCCNC(=O)NCC 2708a_100000229939_100015525214 [0,2,0,0,0,0|2,0,0]=4 14161 B13R0.2 CCCCCCCCNC(=O)NCC 2708a_100015525214_100000229939 [0,2,0,0,0,0|2,0,0]=4 14162 B13R0.2 CCCCCCCCNC(=O)NCC 273464a_100000229939_100015525214 [0,2,0,0,0,0|2,0,0]=4 14163 B13R0.2 CCCCCCCCNC(=O)NCC 273464a_100015525214_100000229939 [0,2,0,0,0,0|2,0,0]=4 14164 B13R0.2 CCCCCCCCNC(=O)NCC 512a_100000229939_100015525214 [0,2,0,0,0,0|2,0,0]=4 14165 B13R0.2 CCCCCCCCNC(=O)NCC 512a_100015525214_100000229939 [0,2,0,0,0,0|2,0,0]=4 14166 B13R0.2 CCCCCCCCNC(=O)NNC 273464a_100000229939_100016993582 [0,2,0,0,0,0|2,0,0]=4 14167 B13R0.2 CCCCCCCCNC(=O)NNC 512a_100000229939_100016993582 [0,2,0,0,0,0|2,0,0]=4 14168 B13R0.2 CCCCCCCCNC(=O)NNC 512a_100016993582_100000229939 [0,2,0,0,0,0|2,0,0]=4 14169 B13R0.2 CCCCCCCNCC(=O)CCC 2230a_100000229938_100000747444 [0,2,0,0,0,0|2,0,0]=4 14170 B13R0.2 CCCCCCCNCC(=O)NCC 2230a_100000229938_100000183381 [0,2,0,0,0,0|2,0,0]=4 14171 B13R0.2 CCCCCCCNCC(=O)NCC 2230a_100016988866_100000210681 [0,2,0,0,0,0|2,0,0]=4 14172 B13R0.2 CCCCCCCNCC(=O)NCO 2230a_100000229938_100000185155 [0,2,0,0,0,0|1,0,0]=3 14173 B13R0.2 CCCCCCCNCC(=O)OCC 2230a_100000229938_100000188475 [0,2,0,0,0,0|1,0,0]=3 14174 B13R0.2 CCCCCCCOCC(=O)CCC 7a_100000210272_100000747444 [0,2,0,0,0,0|2,0,0]=4 14175 B13R0.2 CCCCCCCOCC(=O)NCC 34a_100000210272_100000183381 [0,2,0,0,0,0|2,0,0]=4 14176 B13R0.2 CCCCCCCOCC(=O)NCC 7a_100000210272_100000183381 [0,2,0,0,0,0|2,0,0]=4 14177 B13R0.2 CCCCCCCOCC(=O)NCO 34a_100000210272_100000185155 [0,2,0,0,0,0|1,0,0]=3 14178 B13R0.2 CCCCCCCOCC(=O)NCO 7a_100000210272_100000185155 [0,2,0,0,0,0|1,0,0]=3 14179 B13R0.2 CCCCCCCOCC(=O)OCC 34a_100000210272_100000188475 [0,2,0,0,0,0|1,0,0]=3 14180 B13R0.2 CCCCCCCOCC(=O)OCC 7a_100000210272_100000188475 [0,2,0,0,0,0|1,0,0]=3 14181 B13R0.2 CCCCCCCSCC(=O)CCC 62a_100000210614_100000747444 [0,2,0,0,0,0|2,0,0]=4 14182 B13R0.2 CCCCCCCSCC(=O)CCC 62a_100000747444_100000210316 [0,2,0,0,0,0|2,0,0]=4 14183 B13R0.2 CCCCCCCSCC(=O)NCC 62a_100000183381_100000210316 [0,2,0,0,0,0|2,0,0]=4 14184 B13R0.2 CCCCCCCSCC(=O)NCC 62a_100000210614_100000183381 [0,2,0,0,0,0|2,0,0]=4 14185 B13R0.2 CCCCCCCSCC(=O)NCO 62a_100000185155_100000210316 [0,2,0,0,0,0|1,0,0]=3 14186 B13R0.2 CCCCCCCSCC(=O)NCO 62a_100000210614_100000185155 [0,2,0,0,0,0|1,0,0]=3 14187 B13R0.2 CCCCCCCSCC(=O)OCC 62a_100000188475_100000210316 [0,2,0,0,0,0|1,0,0]=3 14188 B13R0.2 CCCCCCCSCC(=O)OCC 62a_100000210614_100000188475 [0,2,0,0,0,0|1,0,0]=3 14189 B13R0.2 CCCCCCNCCC(=O)NCC 2230a_100000210581_100000737597 [0,2,0,0,0,0|2,0,0]=4 14190 B13R0.2 CCCCCCNCCC(=O)NCC 34a_100025743525_100000210314 [0,2,0,0,0,0|2,0,0]=4 14191 B13R0.2 CCCCCCNCCC(=O)OCC 2230a_100000210581_100011206558 [0,2,0,0,0,0|1,0,0]=3 14192 B13R0.2 CCCCCCOCCC(=O)NCC 7a_100000210259_100000737597 [0,2,0,0,0,0|2,0,0]=4 14193 B13R0.2 CCCCCCOCCC(=O)OCC 34a_100000210259_100000765890 [0,2,0,0,0,0|1,0,0]=3 14194 B13R0.2 CCCCCCOCCC(=O)OCC 7a_100000210259_100011206558 [0,2,0,0,0,0|1,0,0]=3 14195 B13R0.2 CCCCCCSCCC(=O)NCC 62a_100000210314_100000737597 [0,2,0,0,0,0|2,0,0]=4 14196 B13R0.2 CCCCCCSCCC(=O)NCC 62a_100000737597_100000210757 [0,2,0,0,0,0|2,0,0]=4 14197 B13R0.2 CCCCCCSCCC(=O)OCC 62a_100000210314_100000765890 [0,2,0,0,0,0|1,0,0]=3 14198 B13R0.2 CCCCCCSCCC(=O)OCC 62a_100000765890_100000210757 [0,2,0,0,0,0|1,0,0]=3 14199 B13R0.2 CCCCCCSCOC(=O)OCC 62a_100000210314_100000075025 [0,2,0,0,0,0|2,0,0]=4 14200 B13R0.2 CCCCCNCCCC(=O)OCC 2230a_100000209983_100009991533 [0,2,0,0,0,0|1,0,0]=3 14201 B13R0.2 CCCCCOCCCC(=O)OCC 34a_100000210253_100009991533 [0,2,0,0,0,0|1,0,0]=3 14202 B13R0.2 CCCCCOCCCC(=O)OCC 7a_100000210253_100011215271 [0,2,0,0,0,0|1,0,0]=3 14203 B13R0.2 CCCCCOCCCC(=O)OCC 7a_100012001163_100000210326 [0,2,0,0,0,0|1,0,0]=3 14204 B13R0.2 CCCCCOCCNC(=O)OCC 34a_100000158857_100000718602 [0,2,0,0,0,0|2,0,0]=4 14205 B13R0.2 CCCCCOCCNC(=O)OCC 7a_100000210253_200011445536 [0,2,0,0,0,0|2,0,0]=4 14206 B13R0.2 CCCCCSCCCC(=O)OCC 62a_100000210326_100009991533 [0,2,0,0,0,0|1,0,0]=3 14207 B13R0.2 CCCCCSCCCC(=O)OCC 62a_100009991533_100000210326 [0,2,0,0,0,0|1,0,0]=3 14208 B13R0.2 CCCCCSCCNC(=O)OCC 62a_100000210326_200011445536 [0,2,0,0,0,0|2,0,0]=4 14209 B13R0.2 CCCCNCCCCC(=O)OCC 2230a_100000102301_100000750268 [0,2,0,0,0,0|1,0,0]=3 14210 B13R0.2 CCCCNCCCCC(=O)OCC 7a_106832991798_100000750268 [0,2,0,0,0,0|1,0,0]=3 14211 B13R0.2 CCCCNCCOCC(=O)OCC 2230a_100000102301_100000088970 [0,2,0,0,0,0|2,0,0]=4 14212 B13R0.2 CCCCNCCOCC(=O)OCC 7a_106832991798_100000088970 [0,2,0,0,0,0|2,0,0]=4 14213 B13R0.2 CCCCOCCCCC(=O)OCC 34a_100000210227_100000750268 [0,2,0,0,0,0|1,0,0]=3 14214 B13R0.2 CCCCOCCCCC(=O)OCC 7a_100000210227_100000750268 [0,2,0,0,0,0|1,0,0]=3 14215 B13R0.2 CCCCOCCCNC(=O)CCO 240690a_200000211371_100011216618 [0,2,0,0,0,0|2,0,0]=4 14216 B13R0.2 CCCCOCCCNC(=O)COC 1626a_200000211371_100000210968 [0,2,0,0,0,0|2,0,0]=4 14217 B13R0.2 CCCCOCCCNC(=O)COC 240690a_200000211371_100000210968 [0,2,0,0,0,0|2,0,0]=4 14218 B13R0.2 CCCCOCCCNC(=O)COC 527a_200000211371_100000210968 [0,2,0,0,0,0|2,0,0]=4 14219 B13R0.2 CCCCOCCOCC(=O)CCO 1458a_100011216887_100000211926 [0,2,0,0,0,0|2,0,0]=4 14220 B13R0.2 CCCCOCCOCC(=O)NCO 34a_100000210238_100000185155 [0,2,0,0,0,0|2,0,0]=4 14221 B13R0.2 CCCCOCCOCC(=O)NCO 7a_100000210238_100000185155 [0,2,0,0,0,0|2,0,0]=4 14222 B13R0.2 CCCCOCCOCC(=O)OCC 34a_100000210227_100000088970 [0,2,0,0,0,0|2,0,0]=4 14223 B13R0.2 CCCCOCCOCC(=O)OCC 34a_100000210238_100000188475 [0,2,0,0,0,0|2,0,0]=4 14224 B13R0.2 CCCCOCCOCC(=O)OCC 7a_100000210227_100000088970 [0,2,0,0,0,0|2,0,0]=4 14225 B13R0.2 CCCCOCCOCC(=O)OCC 7a_100000210238_100000188475 [0,2,0,0,0,0|2,0,0]=4 14226 B13R0.2 CCCCOCCSCC(=O)NCO 62a_100000185155_100000743108 [0,2,0,0,0,0|2,0,0]=4 14227 B13R0.2 CCCCOCCSCC(=O)NCO 62a_100000743108_100000185155 [0,2,0,0,0,0|2,0,0]=4 14228 B13R0.2 CCCCOCCSCC(=O)OCC 62a_100000188475_100000743108 [0,2,0,0,0,0|2,0,0]=4 14229 B13R0.2 CCCCOCCSCC(=O)OCC 62a_100000743108_100000188475 [0,2,0,0,0,0|2,0,0]=4 14230 B13R0.2 CCCCOCCSCC(=O)OCC 7a_200000230590_100000210211 [0,2,0,0,0,0|2,0,0]=4 14231 B13R0.2 CCCCOCSCCC(=O)OCC 62a_100000765890_100011995733 [0,2,0,0,0,0|2,0,0]=4 14232 B13R0.2 CCCCOCSCCC(=O)OCC 62a_100011995733_100000765890 [0,2,0,0,0,0|2,0,0]=4 14233 B13R0.2 CCCCSCCCCC(=O)OCC 62a_100000210211_100000750268 [0,2,0,0,0,0|1,0,0]=3 14234 B13R0.2 CCCCSCCCCC(=O)OCC 62a_100000750268_100000210210 [0,2,0,0,0,0|1,0,0]=3 14235 B13R0.2 CCCCSCCNCC(=O)NCO 2230a_100025743550_100000185155 [0,2,0,0,0,0|2,0,0]=4 14236 B13R0.2 CCCCSCCNCC(=O)OCC 2230a_100025743550_100000188475 [0,2,0,0,0,0|2,0,0]=4 14237 B13R0.2 CCCCSCCOCC(=O)NCO 34a_200000230436_100000185155 [0,2,0,0,0,0|2,0,0]=4 14238 B13R0.2 CCCCSCCOCC(=O)NCO 7a_200000230436_100000185155 [0,2,0,0,0,0|2,0,0]=4 14239 B13R0.2 CCCCSCCOCC(=O)OCC 34a_200000230436_100000188475 [0,2,0,0,0,0|2,0,0]=4 14240 B13R0.2 CCCCSCCOCC(=O)OCC 62a_100000088970_100000210210 [0,2,0,0,0,0|2,0,0]=4 14241 B13R0.2 CCCCSCCOCC(=O)OCC 62a_100000210211_100000088970 [0,2,0,0,0,0|2,0,0]=4 14242 B13R0.2 CCCCSCCOCC(=O)OCC 7a_200000230436_100000188475 [0,2,0,0,0,0|2,0,0]=4 14243 B13R0.2 CCCOCCCCCC(=O)OCC 34a_100000210258_100000755133 [0,2,0,0,0,0|1,0,0]=3 14244 B13R0.2 CCCOCCCCCC(=O)OCC 7a_100011214988_100000210303 [0,2,0,0,0,0|1,0,0]=3 14245 B13R0.2 CCCOCCCNCC(=O)NCO 2230a_100011217757_100000185155 [0,2,0,0,0,0|2,0,0]=4 14246 B13R0.2 CCCOCCCNCC(=O)NCO 34a_100011217757_100000185155 [0,2,0,0,0,0|2,0,0]=4 14247 B13R0.2 CCCOCCCNCC(=O)OCC 2230a_100011217757_100000188475 [0,2,0,0,0,0|2,0,0]=4 14248 B13R0.2 CCCOCCCNCC(=O)OCC 34a_100011217757_100000188475 [0,2,0,0,0,0|2,0,0]=4 14249 B13R0.2 CCCOCCCOCC(=O)OCC 34a_100000210258_100009893628 [0,2,0,0,0,0|2,0,0]=4 14250 B13R0.2 CCCOCCNCCC(=O)OCC 2230a_100161115042_100011206558 [0,2,0,0,0,0|2,0,0]=4 14251 B13R0.2 CCCOCCNCCC(=O)OCC 34a_100161115042_100000765890 [0,2,0,0,0,0|2,0,0]=4 14252 B13R0.2 CCCOCCOCCC(=O)OCC 34a_100000752267_100000765890 [0,2,0,0,0,0|2,0,0]=4 14253 B13R0.2 CCCOCCOCCC(=O)OCC 7a_100000752267_100011206558 [0,2,0,0,0,0|2,0,0]=4 14254 B13R0.2 CCCOCCSCCC(=O)OCC 62a_100000765890_100011215938 [0,2,0,0,0,0|2,0,0]=4 14255 B13R0.2 CCCOCCSCCC(=O)OCC 62a_100011215938_100000765890 [0,2,0,0,0,0|2,0,0]=4 14256 B13R0.2 CCCSCCCCCC(=O)OCC 62a_100000210303_100000755133 [0,2,0,0,0,0|1,0,0]=3 14257 B13R0.2 CCCSCCCCCC(=O)OCC 62a_100000755133_100000210303 [0,2,0,0,0,0|1,0,0]=3 14258 B13R0.2 CCCSCCCOCC(=O)OCC 62a_100000210303_100009893628 [0,2,0,0,0,0|2,0,0]=4 14259 B13R0.2 CCCSCCCOCC(=O)OCC 62a_100009893628_100000210303 [0,2,0,0,0,0|2,0,0]=4 14260 B13R0.2 CCCSCCNCCC(=O)OCC 2230a_100020603323_100011206558 [0,2,0,0,0,0|2,0,0]=4 14261 B13R0.2 CCCSCCOCCC(=O)OCC 34a_200000230433_100000765890 [0,2,0,0,0,0|2,0,0]=4 14262 B13R0.2 CCCSCCOCCC(=O)OCC 7a_200000230433_100011206558 [0,2,0,0,0,0|2,0,0]=4 14263 B13R0.2 CCNC(=O)CCCCCCCCO 240690a_100015525214_100000015970 [0,2,0,0,0,0|2,0,0]=4 14264 B13R0.2 CCNCCCCCCC(=O)OCC 2230a_100015525214_100009814379 [0,2,0,0,0,0|1,0,0]=3 14265 B13R0.2 CCOC(=O)CCCCCCCNC 2230a_106832991635_100009991516 [0,2,0,0,0,0|1,0,0]=3 14266 B13R0.2 CCOC(=O)CCCCCCCNC 34a_100102657272_100009991516 [0,2,0,0,0,0|1,0,0]=3 14267 B13R0.2 CCOC(=O)CCCCCCCNC 7a_106832991635_100009991516 [0,2,0,0,0,0|1,0,0]=3 14268 B13R0.2 CCOC(=O)CCCCCCCOC 34a_100138415774_100009991516 [0,2,0,0,0,0|1,0,0]=3 14269 B13R0.2 CCOC(=O)CCCCCCCSC 62a_200000210301_100009991516 [0,2,0,0,0,0|1,0,0]=3 14270 B13R0.2 CCOC(=O)CCCCCCCS[13CH3] 62a_200025704644_100009991516 [0,2,0,0,0,0|1,0,0]=3 14271 B13R0.2 CCOC(=O)CCCCCCSCC 62a_100000210202_100009814379 [0,2,0,0,0,0|1,0,0]=3 14272 B13R0.2 CCOC(=O)CCCCCCSCF 62a_100015361967_100009814379 [0,2,0,0,0,0|2,0,0]=4 14273 B13R0.2 CCOC(=O)CCCCCNCCF 34a_100000724931_100000755133 [0,2,0,0,0,0|2,0,0]=4 14274 B13R0.2 CCOC(=O)CCCCCNCCO 2230a_100016997473_100000755133 [0,2,0,0,0,0|2,0,0]=4 14275 B13R0.2 CCOC(=O)CCCCCNCCO 34a_100016990907_100000755133 [0,2,0,0,0,0|2,0,0]=4 14276 B13R0.2 CCOC(=O)CCCCCOCCBr 34a_100000211926_100000755133 [0,2,0,0,0,0|2,0,0]=4 14277 B13R0.2 CCOC(=O)CCCCCOCCF 7a_100011214988_100011217306 [0,2,0,0,0,0|2,0,0]=4 14278 B13R0.2 CCOC(=O)CCCCCOCCN 34a_100000210304_100000755133 [0,2,0,0,0,0|2,0,0]=4 14279 B13R0.2 CCOC(=O)CCCCCOCCO 7a_100011214988_100000211926 [0,2,0,0,0,0|2,0,0]=4 14280 B13R0.2 CCOC(=O)CCCCCSCCF 62a_100000755133_100011217306 [0,2,0,0,0,0|2,0,0]=4 14281 B13R0.2 CCOC(=O)CCCCCSCCF 62a_100011217306_100000755133 [0,2,0,0,0,0|2,0,0]=4 14282 B13R0.2 CCOC(=O)CCCCCSCCO 62a_100000211926_100000755133 [0,2,0,0,0,0|2,0,0]=4 14283 B13R0.2 CCOC(=O)CCCCCSCCO 62a_100000755133_100000211926 [0,2,0,0,0,0|2,0,0]=4 14284 B13R0.2 CCOC(=O)CCCCCSCOC 62a_100000755133_100000766300 [0,2,0,0,0,0|2,0,0]=4 14285 B13R0.2 CCOC(=O)CCCCCSCOC 62a_100000766300_100000755133 [0,2,0,0,0,0|2,0,0]=4 14286 B13R0.2 CCOC(=O)CCCCCSCSC 62a_100000755133_100011218213 [0,2,0,0,0,0|2,0,0]=4 14287 B13R0.2 CCOC(=O)CCCCCSCSC 62a_100011218213_100000755133 [0,2,0,0,0,0|2,0,0]=4 14288 B13R0.2 CCOC(=O)CCCCNCCCF 2230a_100015189416_100000750268 [0,2,0,0,0,0|2,0,0]=4 14289 B13R0.2 CCOC(=O)CCCCNCCCF 34a_100015189416_100000750268 [0,2,0,0,0,0|2,0,0]=4 14290 B13R0.2 CCOC(=O)CCCCNCCOC 2230a_100000209980_100000750268 [0,2,0,0,0,0|2,0,0]=4 14291 B13R0.2 CCOC(=O)CCCCNCCSC 2230a_100020590264_100000750268 [0,2,0,0,0,0|2,0,0]=4 14292 B13R0.2 CCOC(=O)CCCCOCCCBr 34a_100011217188_100000750268 [0,2,0,0,0,0|2,0,0]=4 14293 B13R0.2 CCOC(=O)CCCCOCCCCl 34a_100000230001_100000750268 [0,2,0,0,0,0|2,0,0]=4 14294 B13R0.2 CCOC(=O)CCCCOCCCF 34a_100000759539_100000750268 [0,2,0,0,0,0|2,0,0]=4 14295 B13R0.2 CCOC(=O)CCCCOCCCN 34a_100000182051_100000750268 [0,2,0,0,0,0|2,0,0]=4 14296 B13R0.2 CCOC(=O)CCCCOCCOC 34a_100000210237_100000750268 [0,2,0,0,0,0|2,0,0]=4 14297 B13R0.2 CCOC(=O)CCCCOCCSC 34a_100000230434_100000750268 [0,2,0,0,0,0|2,0,0]=4 14298 B13R0.2 CCOC(=O)CCCCOCCSC 7a_100000230434_100000750268 [0,2,0,0,0,0|2,0,0]=4 14299 B13R0.2 CCOC(=O)CCCCSCCCF 62a_100000750268_100011934791 [0,2,0,0,0,0|2,0,0]=4 14300 B13R0.2 CCOC(=O)CCCCSCCCF 62a_100011934791_100000750268 [0,2,0,0,0,0|2,0,0]=4 14301 B13R0.2 CCOC(=O)CCCCSCCCO 62a_100000750268_100011215043 [0,2,0,0,0,0|2,0,0]=4 14302 B13R0.2 CCOC(=O)CCCCSCCCO 62a_100011215043_100000750268 [0,2,0,0,0,0|2,0,0]=4 14303 B13R0.2 CCOC(=O)CCCCSCCOC 62a_100000233755_100000750268 [0,2,0,0,0,0|2,0,0]=4 14304 B13R0.2 CCOC(=O)CCCCSCCOC 62a_100000750268_100000233755 [0,2,0,0,0,0|2,0,0]=4 14305 B13R0.2 CCOC(=O)CCCCSCCSC 62a_100000212216_100000750268 [0,2,0,0,0,0|2,0,0]=4 14306 B13R0.2 CCOC(=O)CCCCSCCSC 62a_100000750268_100000751147 [0,2,0,0,0,0|2,0,0]=4 14307 B13R0.2 CCOC(=O)CCCNCCCCO 2230a_100000750430_100009991533 [0,2,0,0,0,0|2,0,0]=4 14308 B13R0.2 CCOC(=O)CCCNCCCCO 34a_100000750430_100009991533 [0,2,0,0,0,0|2,0,0]=4 14309 B13R0.2 CCOC(=O)CCCNCCCOC 34a_100150723488_100009991533 [0,2,0,0,0,0|2,0,0]=4 14310 B13R0.2 CCOC(=O)CCCNCCCSC 2230a_100000749238_100009991533 [0,2,0,0,0,0|2,0,0]=4 14311 B13R0.2 CCOC(=O)CCCNCCSCC 2230a_100000106463_100009991533 [0,2,0,0,0,0|2,0,0]=4 14312 B13R0.2 CCOC(=O)CCCOCCCCBr 34a_100011216708_100009991533 [0,2,0,0,0,0|2,0,0]=4 14313 B13R0.2 CCOC(=O)CCCOCCCCCl 34a_100000210776_100009991533 [0,2,0,0,0,0|2,0,0]=4 14314 B13R0.2 CCOC(=O)CCCOCCCCCl 7a_100000210776_100011215271 [0,2,0,0,0,0|2,0,0]=4 14315 B13R0.2 CCOC(=O)CCCOCCCCF 34a_100011995726_100009991533 [0,2,0,0,0,0|2,0,0]=4 14316 B13R0.2 CCOC(=O)CCCOCCCCF 7a_100011995726_100011215271 [0,2,0,0,0,0|2,0,0]=4 14317 B13R0.2 CCOC(=O)CCCOCCCCF 7a_100012001163_100000729493 [0,2,0,0,0,0|2,0,0]=4 14318 B13R0.2 CCOC(=O)CCCOCCCCI 34a_200012148704_100009991533 [0,2,0,0,0,0|2,0,0]=4 14319 B13R0.2 CCOC(=O)CCCOCCCCN 34a_100000750430_100009991533 [0,2,0,0,0,0|2,0,0]=4 14320 B13R0.2 CCOC(=O)CCCOCCCCO 7a_100012001163_100000210776 [0,2,0,0,0,0|2,0,0]=4 14321 B13R0.2 CCOC(=O)CCCOCCCNC 34a_100000213112_100009991533 [0,2,0,0,0,0|2,0,0]=4 14322 B13R0.2 CCOC(=O)CCCOCCCOC 34a_100000740835_100009991533 [0,2,0,0,0,0|2,0,0]=4 14323 B13R0.2 CCOC(=O)CCCOCCCOC 7a_100012001163_100000740836 [0,2,0,0,0,0|2,0,0]=4 14324 B13R0.2 CCOC(=O)CCCOCCCSC 34a_100000690336_100009991533 [0,2,0,0,0,0|2,0,0]=4 14325 B13R0.2 CCOC(=O)CCCOCCCSC 7a_100000690336_100011215271 [0,2,0,0,0,0|2,0,0]=4 14326 B13R0.2 CCOC(=O)CCCOCCSCC 34a_100000212035_100009991533 [0,2,0,0,0,0|2,0,0]=4 14327 B13R0.2 CCOC(=O)CCCOCCSCC 7a_100000212035_100011215271 [0,2,0,0,0,0|2,0,0]=4 14328 B13R0.2 CCOC(=O)CCCOCCSCC 7a_100012001163_100000757381 [0,2,0,0,0,0|2,0,0]=4 14329 B13R0.2 CCOC(=O)CCCSCCCCF 62a_100000729493_100009991533 [0,2,0,0,0,0|2,0,0]=4 14330 B13R0.2 CCOC(=O)CCCSCCCCF 62a_100009991533_100000729493 [0,2,0,0,0,0|2,0,0]=4 14331 B13R0.2 CCOC(=O)CCCSCCCCO 62a_100000210776_100009991533 [0,2,0,0,0,0|2,0,0]=4 14332 B13R0.2 CCOC(=O)CCCSCCCCO 62a_100009991533_100000210776 [0,2,0,0,0,0|2,0,0]=4 14333 B13R0.2 CCOC(=O)CCCSCCCOC 62a_100000709357_100009991533 [0,2,0,0,0,0|2,0,0]=4 14334 B13R0.2 CCOC(=O)CCCSCCCOC 62a_100009991533_100000709357 [0,2,0,0,0,0|2,0,0]=4 14335 B13R0.2 CCOC(=O)CCCSCCSCC 62a_100000757381_100009991533 [0,2,0,0,0,0|2,0,0]=4 14336 B13R0.2 CCOC(=O)CCCSCCSCC 62a_100009991533_100000757381 [0,2,0,0,0,0|2,0,0]=4 14337 B13R0.2 CCOC(=O)CCNCCCCCO 2230a_100000762737_100011206558 [0,2,0,0,0,0|2,0,0]=4 14338 B13R0.2 CCOC(=O)CCNCCCCCO 34a_100000762737_100000765890 [0,2,0,0,0,0|2,0,0]=4 14339 B13R0.2 CCOC(=O)CCOCCCCCBr 34a_100000746331_100000765890 [0,2,0,0,0,0|2,0,0]=4 14340 B13R0.2 CCOC(=O)CCOCCCCCBr 7a_100000746331_100011206558 [0,2,0,0,0,0|2,0,0]=4 14341 B13R0.2 CCOC(=O)CCOCCCCCCl 34a_100000746330_100000765890 [0,2,0,0,0,0|2,0,0]=4 14342 B13R0.2 CCOC(=O)CCOCCCCCCl 7a_100000746330_100011206558 [0,2,0,0,0,0|2,0,0]=4 14343 B13R0.2 CCOC(=O)CCOCCCCCI 34a_200012148887_100000765890 [0,2,0,0,0,0|2,0,0]=4 14344 B13R0.2 CCOC(=O)CCOCCCCCI 7a_200012148887_100011206558 [0,2,0,0,0,0|2,0,0]=4 14345 B13R0.2 CCOC(=O)CCOCCCCCN 34a_100000762737_100000765890 [0,2,0,0,0,0|2,0,0]=4 14346 B13R0.2 CCOC(=O)CCOCCCCOC 34a_100000740925_100000765890 [0,2,0,0,0,0|2,0,0]=4 14347 B13R0.2 CCOC(=O)CCOCCCCSC 34a_100011217163_100000765890 [0,2,0,0,0,0|2,0,0]=4 14348 B13R0.2 CCOC(=O)CCOCCCCSC 7a_100011217163_100011206558 [0,2,0,0,0,0|2,0,0]=4 14349 B13R0.2 CCOC(=O)CCOCCCSCC 34a_100011216438_100000765890 [0,2,0,0,0,0|2,0,0]=4 14350 B13R0.2 CCOC(=O)CCOCCCSCC 7a_100011216438_100011206558 [0,2,0,0,0,0|2,0,0]=4 14351 B13R0.2 CCOC(=O)CCSCCCCCF 62a_100000729378_100000765890 [0,2,0,0,0,0|2,0,0]=4 14352 B13R0.2 CCOC(=O)CCSCCCCCF 62a_100000765890_100000729378 [0,2,0,0,0,0|2,0,0]=4 14353 B13R0.2 CCOC(=O)CCSCCCCCO 62a_100000746330_100000765890 [0,2,0,0,0,0|2,0,0]=4 14354 B13R0.2 CCOC(=O)CCSCCCCCO 62a_100000765890_100000746330 [0,2,0,0,0,0|2,0,0]=4 14355 B13R0.2 CCOC(=O)CCSCCCCOC 62a_100000730899_100000765890 [0,2,0,0,0,0|2,0,0]=4 14356 B13R0.2 CCOC(=O)CCSCCCCOC 62a_100000765890_100000730899 [0,2,0,0,0,0|2,0,0]=4 14357 B13R0.2 CCOC(=O)CNCCCCCCO 2230a_100000686447_100000188475 [0,2,0,0,0,0|2,0,0]=4 14358 B13R0.2 CCOC(=O)CNCCCCCCO 34a_100000686447_100000188475 [0,2,0,0,0,0|2,0,0]=4 14359 B13R0.2 CCOC(=O)CNCCCCCOC 2230a_100000747528_100000188475 [0,2,0,0,0,0|2,0,0]=4 14360 B13R0.2 CCOC(=O)CNCCCCCOC 34a_100000747528_100000188475 [0,2,0,0,0,0|2,0,0]=4 14361 B13R0.2 CCOC(=O)COCCCCCCBr 34a_100011215345_100000188475 [0,2,0,0,0,0|2,0,0]=4 14362 B13R0.2 CCOC(=O)COCCCCCCBr 7a_100011215345_100000188475 [0,2,0,0,0,0|2,0,0]=4 14363 B13R0.2 CCOC(=O)COCCCCCCCl 34a_100000766143_100000188475 [0,2,0,0,0,0|2,0,0]=4 14364 B13R0.2 CCOC(=O)COCCCCCCCl 7a_100000766143_100000188475 [0,2,0,0,0,0|2,0,0]=4 14365 B13R0.2 CCOC(=O)COCCCCCCF 34a_100000732779_100000188475 [0,2,0,0,0,0|2,0,0]=4 14366 B13R0.2 CCOC(=O)COCCCCCCF 7a_100000732779_100000188475 [0,2,0,0,0,0|2,0,0]=4 14367 B13R0.2 CCOC(=O)COCCCCCCN 34a_100000686447_100000188475 [0,2,0,0,0,0|2,0,0]=4 14368 B13R0.2 CCOC(=O)COCCCCCNC 34a_100000722520_100000188475 [0,2,0,0,0,0|2,0,0]=4 14369 B13R0.2 CCOC(=O)CSCCCCCCF 62a_100000188475_100015922095 [0,2,0,0,0,0|2,0,0]=4 14370 B13R0.2 CCOC(=O)CSCCCCCCF 62a_100015922095_100000188475 [0,2,0,0,0,0|2,0,0]=4 14371 B13R0.2 CCOC(=O)CSCCCCCCO 62a_100000188475_100000766143 [0,2,0,0,0,0|2,0,0]=4 14372 B13R0.2 CCOC(=O)CSCCCCCCO 62a_100000766143_100000188475 [0,2,0,0,0,0|2,0,0]=4 14373 B13R0.2 CCOCCCCCCC(=O)OCC 34a_100121572206_100009814379 [0,2,0,0,0,0|1,0,0]=3 14374 B13R0.2 CCOCCCNCCC(=O)OCC 2230a_100000210961_100011206558 [0,2,0,0,0,0|2,0,0]=4 14375 B13R0.2 CCOCCCNCCC(=O)OCC 34a_100000210961_100000765890 [0,2,0,0,0,0|2,0,0]=4 14376 B13R0.2 CCOCCCOCCC(=O)OCC 34a_100000757476_100000765890 [0,2,0,0,0,0|2,0,0]=4 14377 B13R0.2 CCOCCCOCCC(=O)OCC 7a_100000757476_100011206558 [0,2,0,0,0,0|2,0,0]=4 14378 B13R0.2 CCOCCCSCCC(=O)OCC 62a_100000765890_100012232248 [0,2,0,0,0,0|2,0,0]=4 14379 B13R0.2 CCOCCCSCCC(=O)OCC 62a_100012232248_100000765890 [0,2,0,0,0,0|2,0,0]=4 14380 B13R0.2 CCOCCNCCCC(=O)OCC 2230a_102516460346_100009991533 [0,2,0,0,0,0|2,0,0]=4 14381 B13R0.2 CCOCCNCCCC(=O)OCC 34a_102516460346_100009991533 [0,2,0,0,0,0|2,0,0]=4 14382 B13R0.2 CCOCCOCCCC(=O)OCC 34a_100000210136_100009991533 [0,2,0,0,0,0|2,0,0]=4 14383 B13R0.2 CCOCCOCCCC(=O)OCC 7a_100000210136_100011215271 [0,2,0,0,0,0|2,0,0]=4 14384 B13R0.2 CCOCCOCCCC(=O)OCC 7a_100012001163_100011215890 [0,2,0,0,0,0|2,0,0]=4 14385 B13R0.2 CCOCCSCCCC(=O)OCC 62a_100000210147_100009991533 [0,2,0,0,0,0|2,0,0]=4 14386 B13R0.2 CCOCCSCCCC(=O)OCC 62a_100009991533_100011215890 [0,2,0,0,0,0|2,0,0]=4 14387 B13R0.2 CCOCSCCCCC(=O)OCC 62a_100000739092_100000750268 [0,2,0,0,0,0|2,0,0]=4 14388 B13R0.2 CCOCSCCCCC(=O)OCC 62a_100000750268_100000739092 [0,2,0,0,0,0|2,0,0]=4 14389 B13R0.2 CNCCCCCOCC(=O)NCO 34a_100000722520_100000185155 [0,2,0,0,0,0|2,0,0]=4 14390 B13R0.2 CNNC(=O)CCCCCCCCO 22a_100016993582_100000015970 [0,2,0,0,0,0|2,0,0]=4 14391 B13R0.2 COCC(=O)CCCCCCCCO 1458a_100000210968_100000033203 [0,2,0,0,0,0|1,0,0]=3 14392 B13R0.2 COCC(=O)NCCCCCCCO 240690a_100011996573_100000210968 [0,2,0,0,0,0|2,0,0]=4 14393 B13R0.2 COCCCCCNCC(=O)NCO 2230a_100000747528_100000185155 [0,2,0,0,0,0|2,0,0]=4 14394 B13R0.2 COCCCCCNCC(=O)NCO 34a_100000747528_100000185155 [0,2,0,0,0,0|2,0,0]=4 14395 B13R0.2 CSCC(=O)CCCCCCCCO 1458a_100000184570_100000033203 [0,2,0,0,0,0|1,1,0]=4 14396 B13R0.2 N#CCC(=O)CCCCCCCCO 1458a_100051588842_100000033203 [0,2,0,0,0,0|2,0,0]=4 14397 B13R0.2 NCCCCCCOCC(=O)NCO 34a_100000686447_100000185155 [0,2,0,0,0,0|2,0,0]=4 14398 B13R0.2 O=C(C=CBr)CCCCCCCCO 1458a_100016273825_100000033203 [0,2,0,0,0,0|2,0,0]=4 14399 B13R0.2 O=C(C=CCl)CCCCCCCCO 1458a_200016279998_100000033203 [0,2,0,0,0,0|2,0,0]=4 14400 B13R0.2 O=C(C=CI)CCCCCCCCO 1458a_100016256311_100000033203 [0,2,0,0,0,0|2,0,0]=4 14401 B13R0.2 O=C(CCO)CCCCCCCCO 1458a_100011216618_100000033203 [0,2,0,0,0,0|1,0,0]=3 14402 B13R0.2 O=C(CCO)NCCCCCCCO 240690a_100011996573_100011216618 [0,2,0,0,0,0|2,0,0]=4 14403 B13R0.2 O=C(CNCCCCCCO)NCO 2230a_100000686447_100000185155 [0,2,0,0,0,0|2,0,0]=4 14404 B13R0.2 O=C(CNCCCCCCO)NCO 34a_100000686447_100000185155 [0,2,0,0,0,0|2,0,0]=4 14405 B13R0.2 O=C(COCCCCCCBr)NCO 34a_100011215345_100000185155 [0,2,0,0,0,0|2,0,0]=4 14406 B13R0.2 O=C(COCCCCCCBr)NCO 7a_100011215345_100000185155 [0,2,0,0,0,0|2,0,0]=4 14407 B13R0.2 O=C(COCCCCCCCl)NCO 34a_100000766143_100000185155 [0,2,0,0,0,0|2,0,0]=4 14408 B13R0.2 O=C(COCCCCCCCl)NCO 7a_100000766143_100000185155 [0,2,0,0,0,0|2,0,0]=4 14409 B13R0.2 O=C(COCCCCCCF)NCO 34a_100000732779_100000185155 [0,2,0,0,0,0|2,0,0]=4 14410 B13R0.2 O=C(COCCCCCCF)NCO 7a_100000732779_100000185155 [0,2,0,0,0,0|2,0,0]=4 14411 B13R0.2 O=C(CSCCCCCCF)NCO 62a_100000185155_100015922095 [0,2,0,0,0,0|2,0,0]=4 14412 B13R0.2 O=C(CSCCCCCCF)NCO 62a_100015922095_100000185155 [0,2,0,0,0,0|2,0,0]=4 14413 B13R0.2 O=C(CSCCCCCCO)NCO 62a_100000185155_100000766143 [0,2,0,0,0,0|2,0,0]=4 14414 B13R0.2 O=C(CSCCCCCCO)NCO 62a_100000766143_100000185155 [0,2,0,0,0,0|2,0,0]=4 14415 B13R0.87 CCCC(=O)CCCCCC(=O)OC 1458a_100000211992_100009816466 [0,2,0,0,0,0|0,0,1]=3 14416 B13R0.87 CCCC(=O)CCCCCC(=O)OC 1458a_100009848860_100000210303 [0,2,0,0,0,0|0,0,1]=3 14417 B13R0.87 CCCC(=O)CSCCCC(=O)OC 62a_100000747444_100011218270 [0,2,0,0,0,0|1,0,1]=4 14418 B13R0.87 CCCC(=O)CSCCCC(=O)OC 62a_100011218270_100000747444 [0,2,0,0,0,0|1,0,1]=4 14419 B13R0.87 CCCC(=O)NCCCCC(=O)OC 188690a_100000746077_100000211992 [0,2,0,0,0,0|1,0,1]=4 14420 B13R0.87 CCCC(C)CCCOCC(=O)CC 7a_100011713154_100000747405 [0,2,0,0,0,0|2,0,0]=4 14421 B13R0.87 CCCC(C)CCCOCC(=O)NC 34a_100011713154_100000183359 [0,2,0,0,0,0|2,0,0]=4 14422 B13R0.87 CCCC(C)CCCOCC(=O)NC 7a_100011713154_100000183359 [0,2,0,0,0,0|2,0,0]=4 14423 B13R0.87 CCCC(C)CCCOCC(=O)OC 34a_100011713154_100000747449 [0,2,0,0,0,0|1,0,0]=3 14424 B13R0.87 CCCC(C)CCCOCC(=O)OC 7a_100011713154_100000747449 [0,2,0,0,0,0|1,0,0]=3 14425 B13R0.87 CCCC(C)CCOCCC(=O)NC 34a_100011217855_100012179268 [0,2,0,0,0,0|2,0,0]=4 14426 B13R0.87 CCCC(C)CCOCCC(=O)NC 7a_100011217855_100000737683 [0,2,0,0,0,0|2,0,0]=4 14427 B13R0.87 CCCC(C)CCOCCC(=O)OC 34a_100011217855_100000742370 [0,2,0,0,0,0|1,0,0]=3 14428 B13R0.87 CCCC(C)CCOCCC(=O)OC 7a_100011217855_100000204255 [0,2,0,0,0,0|1,0,0]=3 14429 B13R0.87 CCCC(C)CNCCCC(=O)NC 2230a_100000740002_100011216630 [0,2,0,0,0,0|2,0,0]=4 14430 B13R0.87 CCCC(C)CNCCCC(=O)NC 270004a_100000740002_100000243154 [0,2,0,0,0,0|2,0,0]=4 14431 B13R0.87 CCCC(C)CNCCCC(=O)NC 34a_100000740002_100011216630 [0,2,0,0,0,0|2,0,0]=4 14432 B13R0.87 CCCC(C)COCCCC(=O)NC 34a_100000688023_100000741757 [0,2,0,0,0,0|2,0,0]=4 14433 B13R0.87 CCCC(C)COCCCC(=O)NC 7a_100000688023_100000741757 [0,2,0,0,0,0|2,0,0]=4 14434 B13R0.87 CCCC(C)COCCCC(=O)NN 34a_100000211488_100011216630 [0,2,0,0,0,0|2,0,0]=4 14435 B13R0.87 CCCC(C)COCCCC(=O)OC 34a_100000688023_100000742333 [0,2,0,0,0,0|1,0,0]=3 14436 B13R0.87 CCCC(C)COCCCC(=O)OC 7a_100000688023_100011218270 [0,2,0,0,0,0|1,0,0]=3 14437 B13R0.87 CCCC(C)COCCNC(=O)OC 34a_100000757965_100011216630 [0,2,0,0,0,0|2,0,0]=4 14438 B13R0.87 CCCC(C)COCCOC(=O)OC 34a_100010262106_100011216630 [0,2,0,0,0,0|2,0,0]=4 14439 B13R0.87 CCCC(C)CSCCCC(=O)NC 62a_100000741757_100011216630 [0,2,0,0,0,0|2,0,0]=4 14440 B13R0.87 CCCC(C)CSCCCC(=O)NC 62a_100011216630_100000741757 [0,2,0,0,0,0|2,0,0]=4 14441 B13R0.87 CCCC(C)CSCCCC(=O)OC 62a_100011216630_100011218270 [0,2,0,0,0,0|1,0,0]=3 14442 B13R0.87 CCCC(C)CSCCCC(=O)OC 62a_100011218270_100011216630 [0,2,0,0,0,0|1,0,0]=3 14443 B13R0.87 CCCC(C)NCCCCC(=O)OC 2230a_100000741246_100000204269 [0,2,0,0,0,0|1,0,0]=3 14444 B13R0.87 CCCC(C)NCCOCC(=O)OC 2230a_100000741246_100000090808 [0,2,0,0,0,0|2,0,0]=4 14445 B13R0.87 CCCC(C)OCCCCC(=O)OC 34a_100000059025_100000766640 [0,2,0,0,0,0|1,0,0]=3 14446 B13R0.87 CCCC(C)OCCCCC(=O)OC 34a_100000764384_100000204269 [0,2,0,0,0,0|1,0,0]=3 14447 B13R0.87 CCCC(C)OCCCCC(=O)OC 7a_100000059025_100000766640 [0,2,0,0,0,0|1,0,0]=3 14448 B13R0.87 CCCC(C)OCCCCC(=O)OC 7a_100000764384_100000204269 [0,2,0,0,0,0|1,0,0]=3 14449 B13R0.87 CCCC(C)OCCOCC(=O)OC 34a_100000764384_100000090808 [0,2,0,0,0,0|2,0,0]=4 14450 B13R0.87 CCCC(C)OCCOCC(=O)OC 7a_100000764384_100000090808 [0,2,0,0,0,0|2,0,0]=4 14451 B13R0.87 CCCC(C)SCCCCC(=O)OC 62a_100000204269_100000766640 [0,2,0,0,0,0|1,0,0]=3 14452 B13R0.87 CCCC(C)SCCCCC(=O)OC 62a_100000766640_100000204269 [0,2,0,0,0,0|1,0,0]=3 14453 B13R0.87 CCCC(C)SCCOCC(=O)OC 62a_100000090808_100000766640 [0,2,0,0,0,0|2,0,0]=4 14454 B13R0.87 CCCC(C)SCCOCC(=O)OC 62a_100000766640_100000090808 [0,2,0,0,0,0|2,0,0]=4 14455 B13R0.87 CCCN(C)CCCCCC(=O)OC 2230a_100000747261_100009816466 [0,2,0,0,0,0|1,0,0]=3 14456 B13R0.87 CCCN(C)CCCCCC(=O)OC 269982a_100000747261_100009816466 [0,2,0,0,0,0|1,0,0]=3 14457 B13R0.87 CCC[C@H](N)CCOCCC(=O)NC 34a_100015193777_100012179268 [0,2,0,0,0,0|2,0,0]=4 14458 B13R0.87 CCC[C@H](N)CCOCCC(=O)OC 34a_100015193777_100000742370 [0,2,0,0,0,0|1,0,0]=3 14459 B13R0.87 CCC[C@H](N)COCCCC(=O)NC 34a_100000732646_100000741757 [0,2,0,0,0,0|2,0,0]=4 14460 B13R0.87 CCC[C@H](N)COCCCC(=O)OC 34a_100000732646_100000742333 [0,2,0,0,0,0|1,0,0]=3 14461 B13R0.87 CCNC(=O)CCCCCC(=O)OC 11a_100015525214_100009848860 [0,2,0,0,0,0|1,0,1]=4 14462 B13R0.87 CCNC(=O)CCCCCC(=O)OC 240690a_100015525214_100009848860 [0,2,0,0,0,0|1,0,1]=4 14463 B13R0.87 CCOC(=O)CCCCCC(=O)CO 1458a_100000210174_100000755133 [0,2,0,0,0,0|1,0,1]=4 14464 B13R0.87 COC(=O)CCCCCC(=O)CCF 1458a_100009848860_100011217306 [0,2,0,0,0,0|1,0,1]=4 14465 B13R0.87 COC(=O)CCCCCC(=O)CCO 1458a_100009848860_100000211926 [0,2,0,0,0,0|1,0,1]=4 14466 B13R0.87 COC(=O)CCCCCC(=O)CCO 1458a_100011216618_100009816466 [0,2,0,0,0,0|1,0,1]=4 14467 B13R0.87 COC(=O)CCCCCC(=O)CSC 1458a_100000184570_100009816466 [0,2,0,0,0,0|1,0,1]=4 14468 B13R0.87 COC(=O)CCCCCN(C)CCO 2230a_100000210263_100009816466 [0,2,0,0,0,0|2,0,0]=4 14469 B13R0.87 COC(=O)CCCCCN(C)CCO 269982a_100000210263_100009816466 [0,2,0,0,0,0|2,0,0]=4 14470 B13R0.87 COC(=O)CCCCN[C@H](C)CCO 2230a_100000706166_100000204269 [0,2,0,0,0,0|2,0,0]=4 14471 B13R0.87 COC(=O)CCCCN[C@H](C)CCO 34a_100000706166_100000204269 [0,2,0,0,0,0|2,0,0]=4 14472 B13R0.87 COC(=O)CCCCOC(C)CCBr 34a_100012276601_100000204269 [0,2,0,0,0,0|2,0,0]=4 14473 B13R0.87 COC(=O)CCCCOC(C)CCO 34a_100000059025_100009893172 [0,2,0,0,0,0|2,0,0]=4 14474 B13R0.87 COC(=O)CCCCOC(C)CCO 7a_100000059025_100009893172 [0,2,0,0,0,0|2,0,0]=4 14475 B13R0.87 COC(=O)CCCCSC(C)CCO 62a_100000204269_100009893172 [0,2,0,0,0,0|2,0,0]=4 14476 B13R0.87 COC(=O)CCCCSC(C)CCO 62a_100009893172_100000204269 [0,2,0,0,0,0|2,0,0]=4 14477 B13R0.87 COC(=O)CCCOCC(C)CCN 34a_106354213184_100000742333 [0,2,0,0,0,0|2,0,0]=4 14478 B13R0.87 COCC(=O)CCCCCC(=O)OC 1458a_100000210968_100009816466 [0,2,0,0,0,0|1,0,1]=4 14479 B13R0.87 COCC(C)OCCCCC(=O)OC 34a_100000059025_100000765312 [0,2,0,0,0,0|2,0,0]=4 14480 B13R0.87 COCC(C)OCCCCC(=O)OC 7a_100000059025_100000765312 [0,2,0,0,0,0|2,0,0]=4 14481 B13R0.87 COCC(C)SCCCCC(=O)OC 62a_100000204269_100000765312 [0,2,0,0,0,0|2,0,0]=4 14482 B13R0.87 COCC(C)SCCCCC(=O)OC 62a_100000765312_100000204269 [0,2,0,0,0,0|2,0,0]=4 14483 B13R0.87 COCC(N)COCCCC(=O)OC 34a_100000724102_100000742333 [0,2,0,0,0,0|2,0,0]=4 14484 B13R0.87 COCC(O)CNCCCC(=O)OC 2230a_100000756049_100011218270 [0,2,0,0,0,0|2,0,0]=4 14485 B13R0.87 COCC(O)CNCCCC(=O)OC 34a_100000756049_100000742333 [0,2,0,0,0,0|2,0,0]=4 14486 B13R0.87 COCC(O)CSCCCC(=O)OC 62a_100011215053_100011218270 [0,2,0,0,0,0|2,0,0]=4 14487 B13R0.87 COCC(O)CSCCCC(=O)OC 62a_100011218270_100011215053 [0,2,0,0,0,0|2,0,0]=4 14488 B13R0.87 COC[C@@H](C)NCCCCC(=O)OC 2230a_100000764878_100000204269 [0,2,0,0,0,0|2,0,0]=4 14489 B13R0.87 COC[C@@H](C)OCCCCC(=O)OC 34a_100011934205_100000204269 [0,2,0,0,0,0|2,0,0]=4 14490 B13R0.340 C=C(COCCCCCC)C(=O)OC 34a_100000210259_100009813391 [0,2,0,0,0,0|1,0,1]=4 14491 B13R0.340 C=C(CSCCCCCC)C(=O)OC 62a_100000210314_100009813391 [0,2,0,0,0,0|1,0,1]=4 14492 B13R0.340 C=C(CSCCCCCC)C(=O)OC 62a_100009813391_100000210757 [0,2,0,0,0,0|1,0,1]=4 14493 B13R0.340 C=CC(=O)N(C)CCCCCCCC 1626a_100000207567_100000185746 [0,2,0,0,0,0|2,0,0]=4 14494 B13R0.340 C=CC(=O)N(C)CCCCCCCC 240690a_100000207567_200121576911 [0,2,0,0,0,0|2,0,0]=4 14495 B13R0.340 CCCCCCCCC(=O)C(=O)NC 1458a_100011218921_100000210759 [0,2,0,0,0,0|1,0,1]=4 14496 B13R0.340 CCCCCCCCC(O)C(=O)CC 1458a_200011995895_100000210202 [0,2,0,0,0,0|1,0,0]=3 14497 B13R0.340 CCCCCCCCC(O)C(=O)CF 1458a_200011995895_100015361967 [0,2,0,0,0,0|1,0,0]=3 14498 B13R0.340 CCCCCCCCC(O)C(=O)NC 240690a_100102657272_200011995895 [0,2,0,0,0,0|1,0,0]=3 14499 B13R0.340 CCCCCCCCN(C)C(=O)CC 11a_100000207567_100000210414 [0,2,0,0,0,0|2,0,0]=4 14500 B13R0.340 CCCCCCCCN(C)C(=O)CC 1626a_100000207567_100000210414 [0,2,0,0,0,0|2,0,0]=4 14501 B13R0.340 CCCCCCCCN(C)C(=O)CC 240690a_100000207567_100000210414 [0,2,0,0,0,0|2,0,0]=4 14502 B13R0.340 CCCCCCCCN(C)C(=O)CC 527a_100000207567_100000210414 [0,2,0,0,0,0|2,0,0]=4 14503 B13R0.340 CCCCCCCCN(C)C(=O)CO 240690a_100000207567_100000210174 [0,2,0,0,0,0|1,0,0]=3 14504 B13R0.340 CCCCCCCCN(C)C(=O)CO 527a_100000207567_100000210174 [0,2,0,0,0,0|1,0,0]=3 14505 B13R0.340 CCCCCCCCN(C)C(=O)NC 2708a_100102657272_100000207567 [0,2,0,0,0,0|2,0,0]=4 14506 B13R0.340 CCCCCCCCN(C)C(=O)NC 273464a_100102657272_100000207567 [0,2,0,0,0,0|2,0,0]=4 14507 B13R0.340 CCCCCCCNC(=O)C(=O)OC 11a_100000229938_100000024059 [0,2,0,0,0,0|1,0,1]=4 14508 B13R0.340 CCCCCCCNC(=O)C(=O)OC 1626a_100000229938_100000024059 [0,2,0,0,0,0|1,0,1]=4 14509 B13R0.340 CCCCCCCNC(=O)C(=O)OC 240690a_100000229938_100000024059 [0,2,0,0,0,0|1,0,1]=4 14510 B13R0.340 CCCCCCCNC(=O)C(=O)OC 527a_100000229938_100000024059 [0,2,0,0,0,0|1,0,1]=4 14511 B13R0.340 CCCCCCCNC(C)C(=O)CC 2230a_100000229938_100000742827 [0,2,0,0,0,0|2,0,0]=4 14512 B13R0.340 CCCCCCCNC(C)C(=O)NC 2230a_100000229938_100000731044 [0,2,0,0,0,0|2,0,0]=4 14513 B13R0.340 CCCCCCCNC(C)C(=O)OC 2230a_100000229938_100000211248 [0,2,0,0,0,0|1,0,0]=3 14514 B13R0.340 CCCCCCCNC(F)C(=O)NC 2230a_100000229938_100009813575 [0,2,0,0,0,0|2,0,0]=4 14515 B13R0.340 CCCCCCCN[C@H](C)C(=O)NC 2230a_100000684985_100000210681 [0,2,0,0,0,0|2,0,0]=4 14516 B13R0.340 CCCCCCCN[C@H](C)C(=O)NC 34a_100000684985_100000210614 [0,2,0,0,0,0|2,0,0]=4 14517 B13R0.340 CCCCCCCOC(C)C(=O)CC 7a_100000210272_100000742827 [0,2,0,0,0,0|2,0,0]=4 14518 B13R0.340 CCCCCCCOC(C)C(=O)NC 34a_100000210272_100000731044 [0,2,0,0,0,0|2,0,0]=4 14519 B13R0.340 CCCCCCCOC(C)C(=O)NC 7a_100000210272_100000209862 [0,2,0,0,0,0|2,0,0]=4 14520 B13R0.340 CCCCCCCOC(C)C(=O)NN 34a_100000725659_100000210614 [0,2,0,0,0,0|2,0,0]=4 14521 B13R0.340 CCCCCCCOC(C)C(=O)OC 34a_100000210272_100000211248 [0,2,0,0,0,0|1,0,0]=3 14522 B13R0.340 CCCCCCCOC(C)C(=O)OC 34a_100011215400_100000210614 [0,2,0,0,0,0|1,0,0]=3 14523 B13R0.340 CCCCCCCOC(C)C(=O)OC 7a_100000210272_100000211248 [0,2,0,0,0,0|1,0,0]=3 14524 B13R0.340 CCCCCCCOC(F)C(=O)NC 34a_100000210272_100009813575 [0,2,0,0,0,0|2,0,0]=4 14525 B13R0.340 CCCCCCCOC(F)C(=O)NC 7a_100000210272_100009813575 [0,2,0,0,0,0|2,0,0]=4 14526 B13R0.340 CCCCCCCSC(C)C(=O)CC 62a_100000210614_100000742827 [0,2,0,0,0,0|2,0,0]=4 14527 B13R0.340 CCCCCCCSC(C)C(=O)CC 62a_100000742827_100000210316 [0,2,0,0,0,0|2,0,0]=4 14528 B13R0.340 CCCCCCCSC(C)C(=O)NC 62a_100000209862_100000210316 [0,2,0,0,0,0|2,0,0]=4 14529 B13R0.340 CCCCCCCSC(C)C(=O)NC 62a_100000210614_100000731044 [0,2,0,0,0,0|2,0,0]=4 14530 B13R0.340 CCCCCCCSC(C)C(=O)OC 62a_100000210614_100000211248 [0,2,0,0,0,0|1,0,0]=3 14531 B13R0.340 CCCCCCCSC(C)C(=O)OC 62a_100000211248_100000210316 [0,2,0,0,0,0|1,0,0]=3 14532 B13R0.340 CCCCCCCSC(F)C(=O)NC 62a_100000210614_100009813575 [0,2,0,0,0,0|2,0,0]=4 14533 B13R0.340 CCCCCCCSC(F)C(=O)NC 62a_100009813575_100000210316 [0,2,0,0,0,0|2,0,0]=4 14534 B13R0.340 CCCCCCNCC(C)C(=O)NC 2230a_100015187722_100000210314 [0,2,0,0,0,0|2,0,0]=4 14535 B13R0.340 CCCCCCNCC(C)C(=O)NC 34a_100015187722_100000210314 [0,2,0,0,0,0|2,0,0]=4 14536 B13R0.340 CCCCCCOCC(=O)C(=O)OC 34a_100000210259_100011610305 [0,2,0,0,0,0|1,0,1]=4 14537 B13R0.340 CCCCCCOCC(C)C(=O)OC 34a_100000210259_100000698445 [0,2,0,0,0,0|1,0,0]=3 14538 B13R0.340 CCCCCCOCC(C)C(=O)OC 34a_100000749362_100000210314 [0,2,0,0,0,0|1,0,0]=3 14539 B13R0.340 CCCCCCOCC(C)C(=O)OC 7a_100000749362_100000210314 [0,2,0,0,0,0|1,0,0]=3 14540 B13R0.340 CCCCCCOCC(F)C(=O)OC 34a_200009849844_100000210314 [0,2,0,0,0,0|1,0,0]=3 14541 B13R0.340 CCCCCCOCC(N)C(=O)NN 34a_100016989258_100000210314 [0,2,0,0,0,0|2,0,0]=4 14542 B13R0.340 CCCCCCOC[C@@H](N)C(=O)OC 34a_100000003586_100000210314 [0,2,0,0,0,0|1,0,0]=3 14543 B13R0.340 CCCCCCSCC(=O)C(=O)OC 62a_100000210314_100011610305 [0,2,0,0,0,0|1,0,1]=4 14544 B13R0.340 CCCCCCSCC(=O)C(=O)OC 62a_100011610305_100000210757 [0,2,0,0,0,0|1,0,1]=4 14545 B13R0.340 CCCCCCSCC(C)C(=O)OC 62a_100000210314_100000698445 [0,2,0,0,0,0|1,0,0]=3 14546 B13R0.340 CCCCCCSCC(C)C(=O)OC 62a_100000698445_100000210757 [0,2,0,0,0,0|1,0,0]=3 14547 B13R0.340 CCCCCNCCC(C)C(=O)OC 2230a_100000209983_100000034942 [0,2,0,0,0,0|1,0,0]=3 14548 B13R0.340 CCCCCOCCC(C)C(=O)OC 34a_100000210253_100000034942 [0,2,0,0,0,0|1,0,0]=3 14549 B13R0.340 CCCCCOCCC(C)C(=O)OC 7a_100000210253_100000034942 [0,2,0,0,0,0|1,0,0]=3 14550 B13R0.340 CCCCCSCCC(C)C(=O)OC 62a_100000034942_100000210326 [0,2,0,0,0,0|1,0,0]=3 14551 B13R0.340 CCCCCSCCC(C)C(=O)OC 62a_100000210326_100000034942 [0,2,0,0,0,0|1,0,0]=3 14552 B13R0.340 CCCCOCCOC(C)C(=O)OC 34a_100000210238_100000211248 [0,2,0,0,0,0|2,0,0]=4 14553 B13R0.340 CCCCOCCOC(C)C(=O)OC 34a_100011215400_100000743108 [0,2,0,0,0,0|2,0,0]=4 14554 B13R0.340 CCCCOCCOC(C)C(=O)OC 7a_100000210238_100000211248 [0,2,0,0,0,0|2,0,0]=4 14555 B13R0.340 CCCCOCCSC(C)C(=O)OC 62a_100000211248_100000743108 [0,2,0,0,0,0|2,0,0]=4 14556 B13R0.340 CCCCOCCSC(C)C(=O)OC 62a_100000743108_100000211248 [0,2,0,0,0,0|2,0,0]=4 14557 B13R0.340 CCCCOCOCC(C)C(=O)OC 34a_100000749362_100011995733 [0,2,0,0,0,0|2,0,0]=4 14558 B13R0.340 CCCCOCOCC(F)C(=O)OC 34a_200009849844_100011995733 [0,2,0,0,0,0|2,0,0]=4 14559 B13R0.340 CCCCOCOC[C@@H](N)C(=O)OC 34a_100000003586_100011995733 [0,2,0,0,0,0|2,0,0]=4 14560 B13R0.340 CCCCOCSCC(C)C(=O)OC 62a_100000698445_100011995733 [0,2,0,0,0,0|2,0,0]=4 14561 B13R0.340 CCCCOCSCC(C)C(=O)OC 62a_100011995733_100000698445 [0,2,0,0,0,0|2,0,0]=4 14562 B13R0.340 CCCCSCCNC(C)C(=O)OC 2230a_100025743550_100000211248 [0,2,0,0,0,0|2,0,0]=4 14563 B13R0.340 CCCCSCCOC(C)C(=O)OC 34a_200000230436_100000211248 [0,2,0,0,0,0|2,0,0]=4 14564 B13R0.340 CCCCSCCOC(C)C(=O)OC 7a_200000230436_100000211248 [0,2,0,0,0,0|2,0,0]=4 14565 B13R0.340 CCCOCCCNC(C)C(=O)OC 2230a_100011217757_100000211248 [0,2,0,0,0,0|2,0,0]=4 14566 B13R0.340 CCCOCCCNC(C)C(=O)OC 34a_100011217757_100000211248 [0,2,0,0,0,0|2,0,0]=4 14567 B13R0.340 CCCOCCNCC(C)C(=O)OC 34a_100161115042_100000698445 [0,2,0,0,0,0|2,0,0]=4 14568 B13R0.340 CCCOCCOCC(C)C(=O)OC 34a_100000749362_100011215938 [0,2,0,0,0,0|2,0,0]=4 14569 B13R0.340 CCCOCCOCC(C)C(=O)OC 34a_100000752267_100000698445 [0,2,0,0,0,0|2,0,0]=4 14570 B13R0.340 CCCOCCOCC(C)C(=O)OC 7a_100000749362_100011215938 [0,2,0,0,0,0|2,0,0]=4 14571 B13R0.340 CCCOCCOCC(F)C(=O)OC 34a_200009849844_100011215938 [0,2,0,0,0,0|2,0,0]=4 14572 B13R0.340 CCCOCCOC[C@@H](N)C(=O)OC 34a_100000003586_100011215938 [0,2,0,0,0,0|2,0,0]=4 14573 B13R0.340 CCCOCCSCC(C)C(=O)OC 62a_100000698445_100011215938 [0,2,0,0,0,0|2,0,0]=4 14574 B13R0.340 CCCOCCSCC(C)C(=O)OC 62a_100011215938_100000698445 [0,2,0,0,0,0|2,0,0]=4 14575 B13R0.340 CCCSCCOCC(C)C(=O)OC 34a_200000230433_100000698445 [0,2,0,0,0,0|2,0,0]=4 14576 B13R0.340 CCOCCCNCC(C)C(=O)OC 34a_100000210961_100000698445 [0,2,0,0,0,0|2,0,0]=4 14577 B13R0.340 CCOCCCOCC(C)C(=O)OC 34a_100000749362_100012232248 [0,2,0,0,0,0|2,0,0]=4 14578 B13R0.340 CCOCCCOCC(C)C(=O)OC 34a_100000757476_100000698445 [0,2,0,0,0,0|2,0,0]=4 14579 B13R0.340 CCOCCCOCC(C)C(=O)OC 7a_100000749362_100012232248 [0,2,0,0,0,0|2,0,0]=4 14580 B13R0.340 CCOCCCOCC(F)C(=O)OC 34a_200009849844_100012232248 [0,2,0,0,0,0|2,0,0]=4 14581 B13R0.340 CCOCCCOC[C@@H](N)C(=O)OC 34a_100000003586_100012232248 [0,2,0,0,0,0|2,0,0]=4 14582 B13R0.340 CCOCCCSCC(C)C(=O)OC 62a_100000698445_100012232248 [0,2,0,0,0,0|2,0,0]=4 14583 B13R0.340 CCOCCCSCC(C)C(=O)OC 62a_100012232248_100000698445 [0,2,0,0,0,0|2,0,0]=4 14584 B13R0.340 CCOCCNCCC(C)C(=O)OC 2230a_102516460346_100000034942 [0,2,0,0,0,0|2,0,0]=4 14585 B13R0.340 CCOCCNCCC(C)C(=O)OC 34a_102516460346_100000034942 [0,2,0,0,0,0|2,0,0]=4 14586 B13R0.340 CCOCCOCCC(C)C(=O)OC 34a_100000210136_100000034942 [0,2,0,0,0,0|2,0,0]=4 14587 B13R0.340 CCOCCOCCC(C)C(=O)OC 7a_100000210136_100000034942 [0,2,0,0,0,0|2,0,0]=4 14588 B13R0.340 CCOCCSCCC(C)C(=O)OC 62a_100000034942_100011215890 [0,2,0,0,0,0|2,0,0]=4 14589 B13R0.340 CCOCCSCCC(C)C(=O)OC 62a_100000210147_100000034942 [0,2,0,0,0,0|2,0,0]=4 14590 B13R0.340 CCSCCCOCC(C)C(=O)OC 34a_100011216438_100000698445 [0,2,0,0,0,0|2,0,0]=4 14591 B13R0.340 CCSCCNCCC(C)C(=O)OC 2230a_100000106463_100000034942 [0,2,0,0,0,0|2,0,0]=4 14592 B13R0.340 CCSCCOCCC(C)C(=O)OC 34a_100000212035_100000034942 [0,2,0,0,0,0|2,0,0]=4 14593 B13R0.340 CCSCCOCCC(C)C(=O)OC 7a_100000212035_100000034942 [0,2,0,0,0,0|2,0,0]=4 14594 B13R0.340 CCSCCSCCC(C)C(=O)OC 62a_100000034942_100000757381 [0,2,0,0,0,0|2,0,0]=4 14595 B13R0.340 CCSCCSCCC(C)C(=O)OC 62a_100000757381_100000034942 [0,2,0,0,0,0|2,0,0]=4 14596 B13R0.340 CNCCCCCOC(C)C(=O)OC 34a_100000722520_100000211248 [0,2,0,0,0,0|2,0,0]=4 14597 B13R0.340 CNCCCOCCC(C)C(=O)OC 34a_100000213112_100000034942 [0,2,0,0,0,0|2,0,0]=4 14598 B13R0.340 COC(=O)C(C)CCNCCCCO 2230a_100000750430_100000034942 [0,2,0,0,0,0|2,0,0]=4 14599 B13R0.340 COC(=O)C(C)CCNCCCCO 34a_100000750430_100000034942 [0,2,0,0,0,0|2,0,0]=4 14600 B13R0.340 COC(=O)C(C)CCNCCCSC 2230a_100000749238_100000034942 [0,2,0,0,0,0|2,0,0]=4 14601 B13R0.340 COC(=O)C(C)CCOCCCCBr 34a_100011216708_100000034942 [0,2,0,0,0,0|2,0,0]=4 14602 B13R0.340 COC(=O)C(C)CCOCCCCCl 34a_100000210776_100000034942 [0,2,0,0,0,0|2,0,0]=4 14603 B13R0.340 COC(=O)C(C)CCOCCCCCl 7a_100000210776_100000034942 [0,2,0,0,0,0|2,0,0]=4 14604 B13R0.340 COC(=O)C(C)CCOCCCCF 34a_100011995726_100000034942 [0,2,0,0,0,0|2,0,0]=4 14605 B13R0.340 COC(=O)C(C)CCOCCCCF 7a_100011995726_100000034942 [0,2,0,0,0,0|2,0,0]=4 14606 B13R0.340 COC(=O)C(C)CCOCCCCI 34a_200012148704_100000034942 [0,2,0,0,0,0|2,0,0]=4 14607 B13R0.340 COC(=O)C(C)CCOCCCCN 34a_100000750430_100000034942 [0,2,0,0,0,0|2,0,0]=4 14608 B13R0.340 COC(=O)C(C)CCOCCCSC 34a_100000690336_100000034942 [0,2,0,0,0,0|2,0,0]=4 14609 B13R0.340 COC(=O)C(C)CCOCCCSC 7a_100000690336_100000034942 [0,2,0,0,0,0|2,0,0]=4 14610 B13R0.340 COC(=O)C(C)CCSCCCCF 62a_100000034942_100000729493 [0,2,0,0,0,0|2,0,0]=4 14611 B13R0.340 COC(=O)C(C)CCSCCCCF 62a_100000729493_100000034942 [0,2,0,0,0,0|2,0,0]=4 14612 B13R0.340 COC(=O)C(C)CCSCCCCO 62a_100000034942_100000210776 [0,2,0,0,0,0|2,0,0]=4 14613 B13R0.340 COC(=O)C(C)CCSCCCCO 62a_100000210776_100000034942 [0,2,0,0,0,0|2,0,0]=4 14614 B13R0.340 COC(=O)C(C)CNCCCCCO 34a_100000762737_100000698445 [0,2,0,0,0,0|2,0,0]=4 14615 B13R0.340 COC(=O)C(C)COCCCCCBr 34a_100000746331_100000698445 [0,2,0,0,0,0|2,0,0]=4 14616 B13R0.340 COC(=O)C(C)COCCCCCCl 34a_100000746330_100000698445 [0,2,0,0,0,0|2,0,0]=4 14617 B13R0.340 COC(=O)C(C)COCCCCCF 34a_100000749362_100000729378 [0,2,0,0,0,0|2,0,0]=4 14618 B13R0.340 COC(=O)C(C)COCCCCCF 7a_100000749362_100000729378 [0,2,0,0,0,0|2,0,0]=4 14619 B13R0.340 COC(=O)C(C)COCCCCCI 34a_200012148887_100000698445 [0,2,0,0,0,0|2,0,0]=4 14620 B13R0.340 COC(=O)C(C)COCCCCCN 34a_100000762737_100000698445 [0,2,0,0,0,0|2,0,0]=4 14621 B13R0.340 COC(=O)C(C)COCCCCCO 34a_100000749362_100000746330 [0,2,0,0,0,0|2,0,0]=4 14622 B13R0.340 COC(=O)C(C)COCCCCCO 7a_100000749362_100000746330 [0,2,0,0,0,0|2,0,0]=4 14623 B13R0.340 COC(=O)C(C)COCCCCSC 34a_100011217163_100000698445 [0,2,0,0,0,0|2,0,0]=4 14624 B13R0.340 COC(=O)C(C)CSCCCCCF 62a_100000698445_100000729378 [0,2,0,0,0,0|2,0,0]=4 14625 B13R0.340 COC(=O)C(C)CSCCCCCF 62a_100000729378_100000698445 [0,2,0,0,0,0|2,0,0]=4 14626 B13R0.340 COC(=O)C(C)CSCCCCCO 62a_100000698445_100000746330 [0,2,0,0,0,0|2,0,0]=4 14627 B13R0.340 COC(=O)C(C)CSCCCCCO 62a_100000746330_100000698445 [0,2,0,0,0,0|2,0,0]=4 14628 B13R0.340 COC(=O)C(C)NCCCCCCO 2230a_100000686447_100000211248 [0,2,0,0,0,0|2,0,0]=4 14629 B13R0.340 COC(=O)C(C)NCCCCCCO 34a_100000686447_100000211248 [0,2,0,0,0,0|2,0,0]=4 14630 B13R0.340 COC(=O)C(C)OCCCCCCBr 34a_100011215345_100000211248 [0,2,0,0,0,0|2,0,0]=4 14631 B13R0.340 COC(=O)C(C)OCCCCCCBr 7a_100011215345_100000211248 [0,2,0,0,0,0|2,0,0]=4 14632 B13R0.340 COC(=O)C(C)OCCCCCCCl 34a_100000766143_100000211248 [0,2,0,0,0,0|2,0,0]=4 14633 B13R0.340 COC(=O)C(C)OCCCCCCCl 7a_100000766143_100000211248 [0,2,0,0,0,0|2,0,0]=4 14634 B13R0.340 COC(=O)C(C)OCCCCCCF 34a_100000732779_100000211248 [0,2,0,0,0,0|2,0,0]=4 14635 B13R0.340 COC(=O)C(C)OCCCCCCF 34a_100011215400_100015922095 [0,2,0,0,0,0|2,0,0]=4 14636 B13R0.340 COC(=O)C(C)OCCCCCCF 7a_100000732779_100000211248 [0,2,0,0,0,0|2,0,0]=4 14637 B13R0.340 COC(=O)C(C)OCCCCCCN 34a_100000686447_100000211248 [0,2,0,0,0,0|2,0,0]=4 14638 B13R0.340 COC(=O)C(C)OCCCCCCO 34a_100011215400_100000766143 [0,2,0,0,0,0|2,0,0]=4 14639 B13R0.340 COC(=O)C(C)SCCCCCCF 62a_100000211248_100015922095 [0,2,0,0,0,0|2,0,0]=4 14640 B13R0.340 COC(=O)C(C)SCCCCCCF 62a_100015922095_100000211248 [0,2,0,0,0,0|2,0,0]=4 14641 B13R0.340 COC(=O)C(C)SCCCCCCO 62a_100000211248_100000766143 [0,2,0,0,0,0|2,0,0]=4 14642 B13R0.340 COC(=O)C(C)SCCCCCCO 62a_100000766143_100000211248 [0,2,0,0,0,0|2,0,0]=4 14643 B13R0.340 COC(=O)C(F)COCCCCCF 34a_200009849844_100000729378 [0,2,0,0,0,0|2,0,0]=4 14644 B13R0.340 COC(=O)C(F)COCCCCCO 34a_200009849844_100000746330 [0,2,0,0,0,0|2,0,0]=4 14645 B13R0.340 COC(=O)[C@H](N)COCCCCCF 34a_100000003586_100000729378 [0,2,0,0,0,0|2,0,0]=4 14646 B13R0.340 COC(=O)[C@H](N)COCCCCCO 34a_100000003586_100000746330 [0,2,0,0,0,0|2,0,0]=4 14647 B13R0.340 COCCCCCNC(C)C(=O)OC 2230a_100000747528_100000211248 [0,2,0,0,0,0|2,0,0]=4 14648 B13R0.340 COCCCCCNC(C)C(=O)OC 34a_100000747528_100000211248 [0,2,0,0,0,0|2,0,0]=4 14649 B13R0.340 COCCCCOCC(C)C(=O)OC 34a_100000740925_100000698445 [0,2,0,0,0,0|2,0,0]=4 14650 B13R0.340 COCCCCOCC(C)C(=O)OC 34a_100000749362_100000755781 [0,2,0,0,0,0|2,0,0]=4 14651 B13R0.340 COCCCCOCC(C)C(=O)OC 7a_100000749362_100000730899 [0,2,0,0,0,0|2,0,0]=4 14652 B13R0.340 COCCCCOCC(F)C(=O)OC 34a_200009849844_100000755781 [0,2,0,0,0,0|2,0,0]=4 14653 B13R0.340 COCCCCOC[C@@H](N)C(=O)OC 34a_100000003586_100000755781 [0,2,0,0,0,0|2,0,0]=4 14654 B13R0.340 COCCCCSCC(C)C(=O)OC 62a_100000698445_100000730899 [0,2,0,0,0,0|2,0,0]=4 14655 B13R0.340 COCCCCSCC(C)C(=O)OC 62a_100000730899_100000698445 [0,2,0,0,0,0|2,0,0]=4 14656 B13R0.340 COCCCNCCC(C)C(=O)OC 34a_100150723488_100000034942 [0,2,0,0,0,0|2,0,0]=4 14657 B13R0.340 COCCCOCCC(C)C(=O)OC 34a_100000740835_100000034942 [0,2,0,0,0,0|2,0,0]=4 14658 B13R0.340 COCCCSCCC(C)C(=O)OC 62a_100000034942_100000709357 [0,2,0,0,0,0|2,0,0]=4 14659 B13R0.340 COCCCSCCC(C)C(=O)OC 62a_100000709357_100000034942 [0,2,0,0,0,0|2,0,0]=4 14660 B13R0.1170 CCCCCCC(=O)CCC(=O)NC 1458a_100011309844_100000210757 [0,2,0,0,0,0|1,0,1]=4 14661 B13R0.1170 CCCCCCC(=O)CCC(=O)OC 1458a_100000187943_100000210757 [0,2,0,0,0,0|0,0,1]=3 14662 B13R0.1170 CCCCCCC(=O)CNC(=O)OC 1458a_100000215747_100000210757 [0,2,0,0,0,0|1,0,1]=4 14663 B13R0.1170 CCCCCCC(=O)NCC(=O)OC 188690a_100000185156_100102632555 [0,2,0,0,0,0|1,0,1]=4 14664 B13R0.1170 CCCCCCC(C)NCC(=O)NC 2230a_100000210919_100000183359 [0,2,0,0,0,0|2,0,0]=4 14665 B13R0.1170 CCCCCCC(C)NCC(=O)NC 2230a_100000693194_100011215978 [0,2,0,0,0,0|2,0,0]=4 14666 B13R0.1170 CCCCCCC(C)NCC(=O)NC 270004a_100000693194_100000210826 [0,2,0,0,0,0|2,0,0]=4 14667 B13R0.1170 CCCCCCC(C)NCC(=O)NC 34a_100000210919_100000183359 [0,2,0,0,0,0|2,0,0]=4 14668 B13R0.1170 CCCCCCC(C)NCC(=O)OC 2230a_100000210919_100000747449 [0,2,0,0,0,0|1,0,0]=3 14669 B13R0.1170 CCCCCCC(C)NCC(=O)OC 34a_100000210919_100000747449 [0,2,0,0,0,0|1,0,0]=3 14670 B13R0.1170 CCCCCCC(C)OCC(=O)CC 34a_100000725409_100011215978 [0,2,0,0,0,0|2,0,0]=4 14671 B13R0.1170 CCCCCCC(C)OCC(=O)CC 7a_100000210265_100000747405 [0,2,0,0,0,0|2,0,0]=4 14672 B13R0.1170 CCCCCCC(C)OCC(=O)NC 34a_100000210265_100000183359 [0,2,0,0,0,0|2,0,0]=4 14673 B13R0.1170 CCCCCCC(C)OCC(=O)NC 34a_100000750040_100011215978 [0,2,0,0,0,0|2,0,0]=4 14674 B13R0.1170 CCCCCCC(C)OCC(=O)NC 7a_100000210265_100000183359 [0,2,0,0,0,0|2,0,0]=4 14675 B13R0.1170 CCCCCCC(C)OCC(=O)OC 34a_100000210265_100000747449 [0,2,0,0,0,0|1,0,0]=3 14676 B13R0.1170 CCCCCCC(C)OCC(=O)OC 7a_100000210265_100000747449 [0,2,0,0,0,0|1,0,0]=3 14677 B13R0.1170 CCCCCCC(C)SCC(=O)CC 62a_100000747405_100011215978 [0,2,0,0,0,0|2,0,0]=4 14678 B13R0.1170 CCCCCCC(C)SCC(=O)CC 62a_100011215978_100000747405 [0,2,0,0,0,0|2,0,0]=4 14679 B13R0.1170 CCCCCCC(C)SCC(=O)NC 62a_100000183359_100011215978 [0,2,0,0,0,0|2,0,0]=4 14680 B13R0.1170 CCCCCCC(C)SCC(=O)NC 62a_100011215978_100000183359 [0,2,0,0,0,0|2,0,0]=4 14681 B13R0.1170 CCCCCCC(C)SCC(=O)OC 62a_100000747449_100011215978 [0,2,0,0,0,0|1,0,0]=3 14682 B13R0.1170 CCCCCCC(C)SCC(=O)OC 62a_100011215978_100000747449 [0,2,0,0,0,0|1,0,0]=3 14683 B13R0.1170 CCCCCCN(C)CCC(=O)NC 2230a_100000750875_100000210314 [0,2,0,0,0,0|2,0,0]=4 14684 B13R0.1170 CCCCCCN(C)CCC(=O)NC 2230a_106256046315_100000737683 [0,2,0,0,0,0|2,0,0]=4 14685 B13R0.1170 CCCCCCN(C)CCC(=O)NC 269982a_100000750875_100000210757 [0,2,0,0,0,0|2,0,0]=4 14686 B13R0.1170 CCCCCCN(C)CCC(=O)NC 269982a_106256046315_100000737683 [0,2,0,0,0,0|2,0,0]=4 14687 B13R0.1170 CCCCCCN(C)CCC(=O)OC 2230a_106256046315_100000204255 [0,2,0,0,0,0|1,0,0]=3 14688 B13R0.1170 CCCCCCN(C)CCC(=O)OC 269982a_100025711912_100000210757 [0,2,0,0,0,0|1,0,0]=3 14689 B13R0.1170 CCCCCCN(C)CCC(=O)OC 269982a_106256046315_100000204255 [0,2,0,0,0,0|1,0,0]=3 14690 B13R0.1170 CCCCCNC(=O)CCC(=O)OC 11a_100000209983_100000187943 [0,2,0,0,0,0|1,0,1]=4 14691 B13R0.1170 CCCCCNC(=O)CCC(=O)OC 1626a_100000209983_100000187943 [0,2,0,0,0,0|1,0,1]=4 14692 B13R0.1170 CCCCCNC(=O)CCC(=O)OC 240690a_100000209983_100000187943 [0,2,0,0,0,0|1,0,1]=4 14693 B13R0.1170 CCCCCNC(=O)CCC(=O)OC 527a_100000209983_100000187943 [0,2,0,0,0,0|1,0,1]=4 14694 B13R0.1170 CCCCNCC(=O)CCC(=O)OC 2230a_100000102301_100000691467 [0,2,0,0,0,0|1,0,1]=4 14695 B13R0.1170 CCCCNCC(=O)CCC(=O)OC 7a_106832991798_100000691467 [0,2,0,0,0,0|1,0,1]=4 14696 B13R0.1170 CCCCOCC(=O)CCC(=O)OC 1458a_100000187943_100011995733 [0,2,0,0,0,0|1,0,1]=4 14697 B13R0.1170 CCCCOCC(=O)CCC(=O)OC 34a_100000210227_100000691467 [0,2,0,0,0,0|1,0,1]=4 14698 B13R0.1170 CCCCOCC(=O)CCC(=O)OC 7a_100000210227_100000691467 [0,2,0,0,0,0|1,0,1]=4 14699 B13R0.1170 CCCCOCC(C)OCC(=O)OC 34a_100011217071_100000747449 [0,2,0,0,0,0|2,0,0]=4 14700 B13R0.1170 CCCCOCC(C)OCC(=O)OC 7a_100011217071_100000747449 [0,2,0,0,0,0|2,0,0]=4 14701 B13R0.1170 CCCCOCN(C)CCC(=O)OC 269982a_100025711912_100011995733 [0,2,0,0,0,0|2,0,0]=4 14702 B13R0.1170 CCCCSCC(=O)CCC(=O)OC 62a_100000210211_100000691467 [0,2,0,0,0,0|1,0,1]=4 14703 B13R0.1170 CCCCSCC(=O)CCC(=O)OC 62a_100000691467_100000210210 [0,2,0,0,0,0|1,0,1]=4 14704 B13R0.1170 CCCOCCC(=O)CCC(=O)OC 1458a_100000187943_100011215938 [0,2,0,0,0,0|1,0,1]=4 14705 B13R0.1170 CCCOCCN(C)CCC(=O)OC 269982a_100025711912_100011215938 [0,2,0,0,0,0|2,0,0]=4 14706 B13R0.1170 CCOCCCC(=O)CCC(=O)OC 1458a_100000187943_100012232248 [0,2,0,0,0,0|1,0,1]=4 14707 B13R0.1170 CCOCCCN(C)CCC(=O)OC 269982a_100025711912_100012232248 [0,2,0,0,0,0|2,0,0]=4 14708 B13R0.1170 COC(=O)CCC(=O)CCCCCF 1458a_100000187943_100000729378 [0,2,0,0,0,0|1,0,1]=4 14709 B13R0.1170 COC(=O)CCC(=O)CCCCCO 1458a_100000187943_100000746330 [0,2,0,0,0,0|1,0,1]=4 14710 B13R0.1170 COC(=O)CCN(C)CCCCCF 269982a_100025711912_100000729378 [0,2,0,0,0,0|2,0,0]=4 14711 B13R0.1170 COC(=O)CCN(C)CCCCCO 2230a_100000722520_100000204255 [0,2,0,0,0,0|2,0,0]=4 14712 B13R0.1170 COC(=O)CCN(C)CCCCCO 269982a_100000722520_100000204255 [0,2,0,0,0,0|2,0,0]=4 14713 B13R0.1170 COC(=O)CCN(C)CCCCCO 269982a_100025711912_100000746330 [0,2,0,0,0,0|2,0,0]=4 14714 B13R0.1170 COCCCCC(=O)CCC(=O)OC 1458a_100000187943_100000755781 [0,2,0,0,0,0|1,0,1]=4 14715 B13R0.1170 COCCCCN(C)CCC(=O)OC 269982a_100025711912_100000730899 [0,2,0,0,0,0|2,0,0]=4 14716 B13R0.61 C=C[C@H](NCCCCCCC)C(=O)O 269956a_100016992060_100000210614 [0,2,0,0,0,0|1,0,0]=3 14717 B13R0.61 C=C[C@H](NCCCCCCF)C(=O)O 269956a_100016992060_100015922095 [0,2,0,0,0,0|2,0,0]=4 14718 B13R0.61 C=C[C@H](NCCCCCCO)C(=O)O 269956a_100016992060_100000766143 [0,2,0,0,0,0|2,0,0]=4 14719 B13R0.61 C=C[C@H](NCCOCCCC)C(=O)O 269956a_100016992060_100000743108 [0,2,0,0,0,0|2,0,0]=4 14720 B13R0.61 CCCCCCCNC(C#N)C(=O)N 2230a_100000039599_100000210681 [0,2,0,0,0,0|2,0,0]=4 14721 B13R0.61 CCCCCCCNC(CC)C(=O)N 2230a_100000229938_100000750255 [0,2,0,0,0,0|2,0,0]=4 14722 B13R0.61 CCCCCCCNC(CC)C(=O)N 2230a_100000733705_100000210681 [0,2,0,0,0,0|2,0,0]=4 14723 B13R0.61 CCCCCCCNC(CC)C(=O)N 34a_100000733705_100000210614 [0,2,0,0,0,0|2,0,0]=4 14724 B13R0.61 CCCCCCCNC(CO)C(=O)O 269956a_100000187304_100000210614 [0,2,0,0,0,0|1,0,0]=3 14725 B13R0.61 CCCCCCCN[C@@H](CO)C(=O)N 2230a_100000729942_100000210681 [0,2,0,0,0,0|2,0,0]=4 14726 B13R0.61 CCCCCCCN[C@@H](CO)C(=O)N 34a_100000729942_100000210614 [0,2,0,0,0,0|2,0,0]=4 14727 B13R0.61 CCCCCCCN[C@H](CC)C(=O)O 269956a_100000747097_100000210614 [0,2,0,0,0,0|1,0,0]=3 14728 B13R0.61 CCCCCCCOC(CC)C(=O)N 34a_100000210272_100000750255 [0,2,0,0,0,0|2,0,0]=4 14729 B13R0.61 CCCCCCCOC(CC)C(=O)N 7a_100000210272_100000750255 [0,2,0,0,0,0|2,0,0]=4 14730 B13R0.61 CCCCCCCSC(CC)C(=O)N 62a_100000210614_100000750255 [0,2,0,0,0,0|2,0,0]=4 14731 B13R0.61 CCCCCCCSC(CC)C(=O)N 62a_100000750255_100000210316 [0,2,0,0,0,0|2,0,0]=4 14732 B13R0.61 CCCCOCCNC(CO)C(=O)O 269956a_100000187304_100000743108 [0,2,0,0,0,0|2,0,0]=4 14733 B13R0.61 CCCCOCCN[C@H](CC)C(=O)O 269956a_100000747097_100000743108 [0,2,0,0,0,0|2,0,0]=4 14734 B13R0.61 CC[C@@H](NCCCCCCF)C(=O)O 269956a_100000747097_100015922095 [0,2,0,0,0,0|2,0,0]=4 14735 B13R0.61 CC[C@@H](NCCCCCCO)C(=O)O 269956a_100000747097_100000766143 [0,2,0,0,0,0|2,0,0]=4 14736 B13R0.61 O=C(O)C(CO)NCCCCCCF 269956a_100000187304_100015922095 [0,2,0,0,0,0|2,0,0]=4 14737 B13R0.61 O=C(O)C(CO)NCCCCCCO 269956a_100000187304_100000766143 [0,2,0,0,0,0|2,0,0]=4 14738 B13R0.91 CCCC(C)CCCOC(C)C(=O)C 7a_100011713154_100000179758 [0,2,0,0,0,0|2,0,0]=4 14739 B13R0.91 CCCC(C)CCCOC(C)C(=O)N 34a_100011713154_100000702099 [0,2,0,0,0,0|2,0,0]=4 14740 B13R0.91 CCCC(C)CCCOC(C)C(=O)N 7a_100011713154_100000702099 [0,2,0,0,0,0|2,0,0]=4 14741 B13R0.91 CCCC(C)CCCOC(F)C(=O)N 34a_100011713154_100009813875 [0,2,0,0,0,0|2,0,0]=4 14742 B13R0.91 CCCC(C)CCCOC(F)C(=O)N 7a_100011713154_100009813875 [0,2,0,0,0,0|2,0,0]=4 14743 B13R0.91 CCCC(C)CCCOC(F)C(=O)[O-] 34a_100011713154_100020610796 [0,2,0,0,0,0|1,0,1]=4 14744 B13R0.284 CCCCCCC(C)NC(C)C(=O)C 2230a_100000210919_100009814033 [0,2,0,0,0,0|2,0,0]=4 14745 B13R0.284 CCCCCCC(C)NC(C)C(=O)N 2230a_100000210919_100000702099 [0,2,0,0,0,0|2,0,0]=4 14746 B13R0.284 CCCCCCC(C)NC(C)C(=O)N 34a_100000210919_100000702099 [0,2,0,0,0,0|2,0,0]=4 14747 B13R0.284 CCCCCCC(C)NC(F)C(=O)N 2230a_100000210919_100009813875 [0,2,0,0,0,0|2,0,0]=4 14748 B13R0.284 CCCCCCC(C)NC(F)C(=O)N 34a_100000210919_100009813875 [0,2,0,0,0,0|2,0,0]=4 14749 B13R0.284 CCCCCCC(C)NC(F)C(=O)[O-] 34a_100000210919_100020610796 [0,2,0,0,0,0|1,0,1]=4 14750 B13R0.284 CCCCCCC(C)N[C@@H](C)C(=O)O 269956a_100000743915_100011215978 [0,2,0,0,0,0|1,0,0]=3 14751 B13R0.284 CCCCCCC(C)N[C@H](C)C(=O)N 2230a_100000119354_100011215978 [0,2,0,0,0,0|2,0,0]=4 14752 B13R0.284 CCCCCCC(C)N[C@H](C)C(=O)N 270004a_100000119354_100000210826 [0,2,0,0,0,0|2,0,0]=4 14753 B13R0.284 CCCCCCC(C)N[C@H](C)C(=O)N 34a_100000119354_100011215978 [0,2,0,0,0,0|2,0,0]=4 14754 B13R0.284 CCCCCCC(C)OC(C)C(=O)C 34a_100000212229_100011215978 [0,2,0,0,0,0|2,0,0]=4 14755 B13R0.284 CCCCCCC(C)OC(C)C(=O)C 7a_100000210265_100000179758 [0,2,0,0,0,0|2,0,0]=4 14756 B13R0.284 CCCCCCC(C)OC(C)C(=O)N 34a_100000210265_100000702099 [0,2,0,0,0,0|2,0,0]=4 14757 B13R0.284 CCCCCCC(C)OC(C)C(=O)N 7a_100000210265_100000702099 [0,2,0,0,0,0|2,0,0]=4 14758 B13R0.284 CCCCCCC(C)OC(F)C(=O)N 34a_100000210265_100009813875 [0,2,0,0,0,0|2,0,0]=4 14759 B13R0.284 CCCCCCC(C)OC(F)C(=O)N 7a_100000210265_100009813875 [0,2,0,0,0,0|2,0,0]=4 14760 B13R0.284 CCCCCCC(C)OC(F)C(=O)[O-] 34a_100000210265_100020610796 [0,2,0,0,0,0|1,0,1]=4 14761 B13R0.284 CCCCCCC(C)O[C@@H](C)C(=O)[O-] 7a_217856618621_100011215978 [0,2,0,0,0,0|1,0,1]=4 14762 B13R0.284 CCCCCCC(C)O[C@H](C)C(=O)N 34a_100000731257_100011215978 [0,2,0,0,0,0|2,0,0]=4 14763 B13R0.284 CCCCCCC(C)O[C@H](C)C(=O)N 7a_100000731257_100011215978 [0,2,0,0,0,0|2,0,0]=4 14764 B13R0.284 CCCCCCC(C)SC(C)C(=O)C 62a_100009814033_100011215978 [0,2,0,0,0,0|2,0,0]=4 14765 B13R0.284 CCCCCCC(C)SC(C)C(=O)C 62a_100011215978_100009814033 [0,2,0,0,0,0|2,0,0]=4 14766 B13R0.284 CCCCCCC(C)SC(C)C(=O)N 62a_100000702099_100011215978 [0,2,0,0,0,0|2,0,0]=4 14767 B13R0.284 CCCCCCC(C)SC(C)C(=O)N 62a_100011215978_100000702099 [0,2,0,0,0,0|2,0,0]=4 14768 B13R0.284 CCCCCCC(C)SC(F)C(=O)N 62a_100009813875_100011215978 [0,2,0,0,0,0|2,0,0]=4 14769 B13R0.284 CCCCCCC(C)SC(F)C(=O)N 62a_100011215978_100009813875 [0,2,0,0,0,0|2,0,0]=4 14770 B13R0.284 CCCCCCC(C)SC(F)C(=O)[O-] 62a_100011215978_100020610796 [0,2,0,0,0,0|1,0,1]=4 14771 B13R0.284 CCCCCCC(C)SC(F)C(=O)[O-] 62a_100020610796_100011215978 [0,2,0,0,0,0|1,0,1]=4 14772 B13R0.413 CC(C)(CNCCCCCF)C(=O)O 269956a_100000693527_100000729378 [0,2,0,0,0,0|2,0,0]=4 14773 B13R0.413 CC(C)(CNCCCCCO)C(=O)O 269956a_100000693527_100000746330 [0,2,0,0,0,0|2,0,0]=4 14774 B13R0.413 CCCCCCCNC(C)(C)C(=O)N 2230a_100000229938_100000702505 [0,2,0,0,0,0|2,0,0]=4 14775 B13R0.413 CCCCCCCNC(C)(C)C(=O)N 2230a_100000743658_100000210681 [0,2,0,0,0,0|2,0,0]=4 14776 B13R0.413 CCCCCCCNC(C)(C)C(=O)N 34a_100000743658_100000210614 [0,2,0,0,0,0|2,0,0]=4 14777 B13R0.413 CCCCCCCOC(C)(C)C(=O)C 34a_100000747739_100000210614 [0,2,0,0,0,0|2,0,0]=4 14778 B13R0.413 CCCCCCCOC(C)(C)C(=O)C 7a_100000210272_100000075568 [0,2,0,0,0,0|2,0,0]=4 14779 B13R0.413 CCCCCCCOC(C)(C)C(=O)C 7a_100000747739_100000210614 [0,2,0,0,0,0|2,0,0]=4 14780 B13R0.413 CCCCCCCOC(C)(C)C(=O)N 34a_100000210272_100000702505 [0,2,0,0,0,0|2,0,0]=4 14781 B13R0.413 CCCCCCCOC(C)(C)C(=O)N 34a_100011626353_100000210614 [0,2,0,0,0,0|2,0,0]=4 14782 B13R0.413 CCCCCCCOC(C)(C)C(=O)N 7a_100000210272_100000702505 [0,2,0,0,0,0|2,0,0]=4 14783 B13R0.413 CCCCCCCOC(C)(C)C(=O)N 7a_100011626353_100000210614 [0,2,0,0,0,0|2,0,0]=4 14784 B13R0.413 CCCCCCCOC(F)(F)C(=O)N 7a_100000210272_100009811971 [0,2,0,0,0,0|2,0,0]=4 14785 B13R0.413 CCCCCCCOC(F)(F)C(=O)[O-] 34a_100000210272_100020612412 [0,2,0,0,0,0|1,0,1]=4 14786 B13R0.413 CCCCCCCSC(C)(C)C(=O)C 62a_100000075568_100000210316 [0,2,0,0,0,0|2,0,0]=4 14787 B13R0.413 CCCCCCCSC(C)(C)C(=O)C 62a_100000210614_100000075568 [0,2,0,0,0,0|2,0,0]=4 14788 B13R0.413 CCCCCCCSC(C)(C)C(=O)N 62a_100000210614_100000702505 [0,2,0,0,0,0|2,0,0]=4 14789 B13R0.413 CCCCCCCSC(C)(C)C(=O)N 62a_100000702505_100000210316 [0,2,0,0,0,0|2,0,0]=4 14790 B13R0.413 CCCCCCCSC(F)(F)C(=O)N 62a_100000210614_100009811971 [0,2,0,0,0,0|2,0,0]=4 14791 B13R0.413 CCCCCCCSC(F)(F)C(=O)N 62a_100009811971_100000210316 [0,2,0,0,0,0|2,0,0]=4 14792 B13R0.413 CCCCCCCSC(F)(F)C(=O)[O-] 62a_100000210614_100000745680 [0,2,0,0,0,0|1,0,1]=4 14793 B13R0.413 CCCCCCCSC(F)(F)C(=O)[O-] 62a_100000745680_100000210316 [0,2,0,0,0,0|1,0,1]=4 14794 B13R0.413 CCCCCCNCC(C)(C)C(=O)N 2230a_100000740840_100000210314 [0,2,0,0,0,0|2,0,0]=4 14795 B13R0.413 CCCCCCNCC(C)(C)C(=O)N 34a_100000740840_100000210314 [0,2,0,0,0,0|2,0,0]=4 14796 B13R0.413 CCCCCCNCC(C)(C)C(=O)O 269956a_100000693527_100000210757 [0,2,0,0,0,0|1,0,0]=3 14797 B13R0.413 CCCCCCNCC(F)(F)C(=O)O 269956a_100000734215_100000210757 [0,2,0,0,0,0|1,0,0]=3 14798 B13R0.413 CCCCCCNOC(C)(C)C(=O)O 269956a_100016989451_100000210757 [0,2,0,0,0,0|2,0,0]=4 14799 B13R0.413 CCCCCCOCC(C)(C)C(=O)N 34a_100000210259_200009895572 [0,2,0,0,0,0|2,0,0]=4 14800 B13R0.413 CCCCCCSCC(C)(C)C(=O)N 62a_100000210314_200009895572 [0,2,0,0,0,0|2,0,0]=4 14801 B13R0.413 CCCCCCSCC(C)(C)C(=O)N 62a_200009895572_100000210757 [0,2,0,0,0,0|2,0,0]=4 14802 B13R0.413 CCCCOCNCC(C)(C)C(=O)O 269956a_100000693527_100011995733 [0,2,0,0,0,0|2,0,0]=4 14803 B13R0.413 CCCCOCNCC(F)(F)C(=O)O 269956a_100000734215_100011995733 [0,2,0,0,0,0|2,0,0]=4 14804 B13R0.413 CCCOCCNCC(C)(C)C(=O)O 269956a_100000693527_100011215938 [0,2,0,0,0,0|2,0,0]=4 14805 B13R0.413 CCCOCCNCC(F)(F)C(=O)O 269956a_100000734215_100011215938 [0,2,0,0,0,0|2,0,0]=4 14806 B13R0.413 CCOCCCNCC(C)(C)C(=O)O 269956a_100000693527_100012232248 [0,2,0,0,0,0|2,0,0]=4 14807 B13R0.413 CCOCCCNCC(F)(F)C(=O)O 269956a_100000734215_100012232248 [0,2,0,0,0,0|2,0,0]=4 14808 B13R0.413 COCCCCNCC(C)(C)C(=O)O 269956a_100000693527_100000730899 [0,2,0,0,0,0|2,0,0]=4 14809 B13R0.413 COCCCCNCC(F)(F)C(=O)O 269956a_100000734215_100000730899 [0,2,0,0,0,0|2,0,0]=4 14810 B13R0.413 O=C(O)C(F)(F)CNCCCCCF 269956a_100000734215_100000729378 [0,2,0,0,0,0|2,0,0]=4 14811 B13R0.413 O=C(O)C(F)(F)CNCCCCCO 269956a_100000734215_100000746330 [0,2,0,0,0,0|2,0,0]=4 14812 B13R0.285 C=CC(CCCCCC)OCC(=O)N 34a_200011215977_100000187820 [0,2,0,0,0,0|2,0,0]=4 14813 B13R0.285 C=CC(CCCCCC)OCC(=O)N 7a_200011215977_100000187820 [0,2,0,0,0,0|2,0,0]=4 14814 B13R0.285 C=CC(CCCCCC)OCC(=O)[O-] 34a_200011215977_100020667443 [0,2,0,0,0,0|1,0,1]=4 14815 B13R0.285 CCCCCCC(CC)OCC(=O)N 34a_100011215785_100000187820 [0,2,0,0,0,0|2,0,0]=4 14816 B13R0.285 CCCCCCC(CC)OCC(=O)N 7a_100011215785_100000187820 [0,2,0,0,0,0|2,0,0]=4 14817 B13R0.285 CCCCCCC(CC)OCC(=O)[O-] 34a_100011215785_100020667443 [0,2,0,0,0,0|1,0,1]=4 14818 B13R0.285 CCCCCCN(CC)CCC(=O)N 2230a_100020645749_100000210314 [0,2,0,0,0,0|2,0,0]=4 14819 B13R0.1167 CCCCCCC(C)(C)OCC(=O)N 7a_200011995690_100000187820 [0,2,0,0,0,0|2,0,0]=4 14820 B13R0.231 CCCC(C)(C)COCCCC(=O)C 7a_100011995695_100011215641 [0,2,0,0,0,0|2,0,0]=4 14821 B13R0.231 CCCC(C)(C)COCCCC(=O)N 7a_100011995695_100102525003 [0,2,0,0,0,0|2,0,0]=4 14822 B13R0.231 CCCC(C)(C)OCCCCC(=O)C 7a_100000748436_100000735457 [0,2,0,0,0,0|2,0,0]=4 14823 B13R0.313 C#CC(CCC)OCCCCC(=O)C 34a_200011217317_100009817362 [0,2,0,0,0,0|2,0,0]=4 14824 B13R0.313 C#CC(CCC)OCCCCC(=O)C 7a_200011217317_100000735457 [0,2,0,0,0,0|2,0,0]=4 14825 B13R0.313 C=CC(CCC)OCCCCC(=O)C 34a_100011216692_100009817362 [0,2,0,0,0,0|2,0,0]=4 14826 B13R0.313 C=CC(CCC)OCCCCC(=O)C 7a_100011216692_100000735457 [0,2,0,0,0,0|2,0,0]=4 14827 B13R0.313 CCCC(C#N)OCCCCC(=O)C 34a_100000686963_100009817362 [0,2,0,0,0,0|2,0,0]=4 14828 B13R0.313 CCCC(C#N)OCCCCC(=O)C 7a_100000686963_100000735457 [0,2,0,0,0,0|2,0,0]=4 14829 B13R0.313 CCCC(CC)NCCCCC(=O)N 270004a_100000696515_100000687865 [0,2,0,0,0,0|2,0,0]=4 14830 B13R0.313 CCCC(CC)NCCOCC(=O)O 269956a_100000700818_100011219200 [0,2,0,0,0,0|2,0,0]=4 14831 B13R0.313 CCCC(CC)OCCCCC(=O)C 34a_100000687864_100009817362 [0,2,0,0,0,0|2,0,0]=4 14832 B13R0.313 CCCC(CC)OCCCCC(=O)C 7a_100000687864_100000735457 [0,2,0,0,0,0|2,0,0]=4 14833 B13R0.313 CCCC(CC)OCCCCC(=O)N 7a_100012022536_100011219200 [0,2,0,0,0,0|2,0,0]=4 14834 B13R0.313 CCCC(CC)SCCCCC(=O)C 62a_100000735457_100011219200 [0,2,0,0,0,0|2,0,0]=4 14835 B13R0.313 CCCC(CC)SCCCCC(=O)C 62a_100011219200_100000735457 [0,2,0,0,0,0|2,0,0]=4 14836 B13R0.313 CCCC(CCOCCC(=O)C)SC 7a_100000032865_100000053229 [0,2,0,0,0,0|2,0,0]=4 14837 B13R0.313 CCCC(CCOCCC(=O)N)SC 34a_100000032865_100000731001 [0,2,0,0,0,0|2,0,0]=4 14838 B13R0.313 CCCC(CCOCCC(=O)N)SC 7a_100000032865_100000744528 [0,2,0,0,0,0|2,0,0]=4 14839 B13R0.313 CCCN(CC)CCCCCC(=O)N 2230a_100000226822_100009817443 [0,2,0,0,0,0|2,0,0]=4 14840 B13R0.313 CCCN(CC)CCCCCC(=O)N 269982a_100000226822_100009817443 [0,2,0,0,0,0|2,0,0]=4 14841 B13R0.313 CCC[C@@H](CO)NCCCCC(=O)C 34a_100000732646_100009817362 [0,2,0,0,0,0|2,0,0]=4 14842 B11R1.24 CCCOC1CCCC(=O)C1 34a_100012613340_100000210303 [1,0,0,1,0,0|2,0,0]=4 14843 B11R1.24 CCOCC1CCCC(=O)N1 34a_200000102386_100000210202 [1,0,0,1,0,0|2,0,0]=4 14844 B11R1.27 CCCCOC1CCC(=O)C1 34a_100012614533_100000210210 [1,0,0,1,0,0|2,0,0]=4 14845 B11R1.27 CCCCOC1COC(=O)O1 34a_100000210227_100000032252 [1,0,0,1,0,0|2,0,0]=4 14846 B11R1.27 CCCCSC1COC(=O)O1 62a_100000210211_100000032252 [1,0,0,1,0,0|2,0,0]=4 14847 B11R1.27 CCCNC[C@H]1CCC(=O)N1 2230a_100015423886_100000210303 [1,0,0,1,0,0|2,0,0]=4 14848 B11R1.27 CCCNC[C@H]1CCC(=O)N1 34a_100015423886_100000210303 [1,0,0,1,0,0|2,0,0]=4 14849 B11R1.27 CCCOCC1CCC(=O)N1 34a_100000737831_100000210303 [1,0,0,1,0,0|2,0,0]=4 14850 B11R1.27 CCCOCC1CNC(=O)O1 34a_100000210258_100000181169 [1,0,0,1,0,0|2,0,0]=4 14851 B11R1.27 CCCOCC1CNC(=O)O1 34a_100011315639_100000210303 [1,0,0,1,0,0|2,0,0]=4 14852 B11R1.27 CCCOCC1COC(=O)O1 34a_100000210258_100000073702 [1,0,0,1,0,0|2,0,0]=4 14853 B11R1.27 CCCSCC1CNC(=O)O1 62a_100000181169_100000210303 [1,0,0,1,0,0|2,0,0]=4 14854 B11R1.27 CCCSCC1CNC(=O)O1 62a_100000210303_100000181169 [1,0,0,1,0,0|2,0,0]=4 14855 B11R1.27 CCCSCC1COC(=O)O1 62a_100000073702_100000210303 [1,0,0,1,0,0|2,0,0]=4 14856 B11R1.27 CCCSCC1COC(=O)O1 62a_100000210303_100000073702 [1,0,0,1,0,0|2,0,0]=4 14857 B11R1.27 CCCSC[C@@H]1CCC(=O)N1 62a_100000210303_100015189358 [1,0,0,1,0,0|2,0,0]=4 14858 B11R1.27 CCCSC[C@@H]1CCC(=O)N1 62a_100015189358_100000210303 [1,0,0,1,0,0|2,0,0]=4 14859 B11R1.53 CCC1CCCCN1C(=O)C 11a_100000210034_100015343762 [1,0,0,1,0,0|2,0,0]=4 14860 B11R1.53 CCC1CCCCN1C(=O)C 1626a_100000210034_100015343762 [1,0,0,1,0,0|2,0,0]=4 14861 B11R1.53 CCC1CCCCN1C(=O)C 240690a_100000210034_100015343762 [1,0,0,1,0,0|2,0,0]=4 14862 B11R1.53 CCC1CCCCN1C(=O)C 527a_100000210034_100103153847 [1,0,0,1,0,0|2,0,0]=4 14863 B11R1.53 CCN1CCCCC1C(=O)C 1458a_100000743832_200000210301 [1,0,0,1,0,0|2,0,0]=4 14864 B11R1.53 CCN1CCCCC1C(=O)N 2230a_100000181395_100000210202 [1,0,0,1,0,0|2,0,0]=4 14865 B11R1.53 CCN1CCCCC1C(=O)N 269982a_100000181395_100000204670 [1,0,0,1,0,0|2,0,0]=4 14866 B11R1.53 CCN1CCCCC1C(=O)N 34a_100000181395_100000210202 [1,0,0,1,0,0|2,0,0]=4 14867 B11R1.53 CCN1CCCCC1C(=O)[13CH3] 1458a_100000743832_200025704644 [1,0,0,1,0,0|2,0,0]=4 14868 B11R1.53 CCN1CCCC[C@@H]1C(=O)O 269956a_100000763471_100000210202 [1,0,0,1,0,0|1,0,0]=3 14869 B11R1.53 CCN1CCOC[C@@H]1C(=O)O 269956a_100016993156_100000210202 [1,0,0,1,0,0|2,0,0]=4 14870 B11R1.53 CCN1CCSCC1C(=O)O 269956a_100011346106_100000210202 [1,0,0,1,0,0|2,0,0]=4 14871 B11R1.53 CCN1CSCCC1C(=O)O 269956a_100015185162_100000210202 [1,0,0,1,0,0|2,0,0]=4 14872 B11R1.53 CN[C@@H]1CCCC[C@H]1C(=O)O 269956a_100009816435_200000210301 [1,0,0,1,0,0|1,0,0]=3 14873 B11R1.53 O=C(O)[C@H]1CCCCN1CF 269956a_100000763471_100015361967 [1,0,0,1,0,0|2,0,0]=4 14874 B11R1.53 [13CH3]N[C@@H]1CCCC[C@H]1C(=O)O 269956a_100009816435_200025704644 [1,0,0,1,0,0|1,0,0]=3 14875 B11R1.57 CCC1CCCN1CC(=O)N 2230a_100000754278_100000747473 [1,0,0,1,0,0|2,0,0]=4 14876 B11R1.57 CCC1CCCN1CC(=O)N 269982a_100000754278_100000187820 [1,0,0,1,0,0|2,0,0]=4 14877 B11R1.57 CCC1CCCN1CC(=O)N 34a_100000754278_100000187820 [1,0,0,1,0,0|2,0,0]=4 14878 B11R1.57 CCC1CCCN1CC(=O)[O-] 269982a_100000754278_100020667443 [1,0,0,1,0,0|1,0,1]=4 14879 B11R1.57 CCC1CCCN1CC(=O)[O-] 34a_100000754278_100020667443 [1,0,0,1,0,0|1,0,1]=4 14880 B11R1.78 CCCCCSC1CC(=O)C1 62a_100009894365_100000210326 [1,0,0,1,0,0|2,0,0]=4 14881 B11R1.78 CCCCNCC1CC(=O)C1 2230a_100000102301_100009874392 [1,0,0,1,0,0|2,0,0]=4 14882 B11R1.78 CCCCNCC1CC(=O)C1 7a_106832991798_100009874392 [1,0,0,1,0,0|2,0,0]=4 14883 B11R1.78 CCCCOCC1CC(=O)C1 34a_100000101936_100000210210 [1,0,0,1,0,0|2,0,0]=4 14884 B11R1.78 CCCCOCC1CC(=O)C1 7a_100000210227_100009874392 [1,0,0,1,0,0|2,0,0]=4 14885 B11R1.78 CCCCSCC1CC(=O)C1 62a_100000210211_100009874392 [1,0,0,1,0,0|2,0,0]=4 14886 B11R1.78 CCCCSCC1CC(=O)C1 62a_100009874392_100000210210 [1,0,0,1,0,0|2,0,0]=4 14887 B11R1.86 CC(=O)CC1CCCCN1C 1458a_100000070787_100015185383 [1,0,0,1,0,0|2,0,0]=4 14888 B11R1.86 CC(=O)NC1CCCCC1C 11a_100000211402_100015343762 [1,0,0,1,0,0|2,0,0]=4 14889 B11R1.86 CC(=O)NC1CCCCC1C 1626a_100000211402_100015343762 [1,0,0,1,0,0|2,0,0]=4 14890 B11R1.86 CC(=O)NC1CCCCC1C 240690a_100000211402_100015343762 [1,0,0,1,0,0|2,0,0]=4 14891 B11R1.86 CC(=O)NC1CCCCC1C 527a_100000211402_100103153847 [1,0,0,1,0,0|2,0,0]=4 14892 B11R1.86 CC1CCCCN1CC(=O)N 2230a_100000211376_100000747473 [1,0,0,1,0,0|2,0,0]=4 14893 B11R1.86 CC1CCCCN1CC(=O)N 269982a_100000211376_100000187820 [1,0,0,1,0,0|2,0,0]=4 14894 B11R1.86 CC1CCCCN1CC(=O)N 34a_100000211376_100000187820 [1,0,0,1,0,0|2,0,0]=4 14895 B11R1.86 CC1CCCCN1CC(=O)[O-] 269982a_100000211376_100020667443 [1,0,0,1,0,0|1,0,1]=4 14896 B11R1.86 CC1CCCCN1CC(=O)[O-] 34a_100000211376_100020667443 [1,0,0,1,0,0|1,0,1]=4 14897 B11R1.86 CN1CCCCC1CC(=O)N 2230a_100015184752_200000210301 [1,0,0,1,0,0|2,0,0]=4 14898 B11R1.86 CN1CCCCC1CC(=O)N 269982a_100015184752_200000210301 [1,0,0,1,0,0|2,0,0]=4 14899 B11R1.86 CN1CCCCC1CC(=O)N 34a_100015184752_200000210301 [1,0,0,1,0,0|2,0,0]=4 14900 B11R1.86 [13CH3]N1CCCCC1CC(=O)N 2230a_100015184752_200025704644 [1,0,0,1,0,0|2,0,0]=4 14901 B11R1.86 [13CH3]N1CCCCC1CC(=O)N 269982a_100015184752_200025704644 [1,0,0,1,0,0|2,0,0]=4 14902 B11R1.86 [13CH3]N1CCCCC1CC(=O)N 34a_100015184752_200025704644 [1,0,0,1,0,0|2,0,0]=4 14903 B11R1.90 CC(=O)CCC1CCCN1C 1458a_100000070787_100000005710 [1,0,0,1,0,0|2,0,0]=4 14904 B11R1.90 CC(=O)CCN1CCC[C@@H]1C 269982a_100020605311_100000053229 [1,0,0,1,0,0|2,0,0]=4 14905 B11R1.90 CC(=O)CCN1CCC[C@H]1C 269982a_100015189458_100000053229 [1,0,0,1,0,0|2,0,0]=4 14906 B11R1.90 CC1CCCC1OCC(=O)N 34a_100011216460_100000187820 [1,0,0,1,0,0|2,0,0]=4 14907 B11R1.90 CC1CCCC1OCC(=O)N 7a_100011216460_100000187820 [1,0,0,1,0,0|2,0,0]=4 14908 B11R1.90 CC1CCCC1OCC(=O)[O-] 34a_100011216460_100020667443 [1,0,0,1,0,0|1,0,1]=4 14909 B11R1.90 C[C@@H]1CCCN1CCC(=O)N 2230a_100015189458_100000744528 [1,0,0,1,0,0|2,0,0]=4 14910 B11R1.90 C[C@@H]1CCCN1CCC(=O)N 269982a_100015189458_100000744528 [1,0,0,1,0,0|2,0,0]=4 14911 B11R1.90 C[C@@H]1CCCN1CCC(=O)N 34a_100015189458_100000731001 [1,0,0,1,0,0|2,0,0]=4 14912 B11R1.90 C[C@H]1CCCN1CCC(=O)N 2230a_100020605311_100000744528 [1,0,0,1,0,0|2,0,0]=4 14913 B11R1.90 C[C@H]1CCCN1CCC(=O)N 269982a_100020605311_100000744528 [1,0,0,1,0,0|2,0,0]=4 14914 B11R1.90 O=C(O)CN[C@@H]1CCC[C@H]1O 269956a_100016091260_200016002552 [1,0,0,1,0,0|2,0,0]=4 14915 B11R1.91 CC(=O)CCC1CCCCC1 1458a_100000070787_100011273959 [1,0,0,1,0,0|1,0,0]=3 14916 B11R1.91 CC(=O)CCC1CCCCC1 1458a_100000211375_200000210301 [1,0,0,1,0,0|1,0,0]=3 14917 B11R1.91 CC(=O)CCC1CCOCC1 1458a_100000070787_100011934994 [1,0,0,1,0,0|2,0,0]=4 14918 B11R1.91 CC(=O)CCN1CCCCC1 1458a_100000070787_100000739454 [1,0,0,1,0,0|2,0,0]=4 14919 B11R1.91 CC(=O)CCN1CCCCC1 1458a_100000743487_200000210301 [1,0,0,1,0,0|2,0,0]=4 14920 B11R1.91 CC(=O)COC1CCCCC1 1458a_100000070787_100011935260 [1,0,0,1,0,0|2,0,0]=4 14921 B11R1.91 CC(=O)COC1CCCCC1 1458a_100011223303_200000210301 [1,0,0,1,0,0|2,0,0]=4 14922 B11R1.91 CC(=O)COC1CCCCC1 34a_100000211253_100000210327 [1,0,0,1,0,0|2,0,0]=4 14923 B11R1.91 CC(=O)NCC1CCCCC1 11a_100000210473_100015343762 [1,0,0,1,0,0|2,0,0]=4 14924 B11R1.91 CC(=O)NCC1CCCCC1 1626a_100000210473_100015343762 [1,0,0,1,0,0|2,0,0]=4 14925 B11R1.91 CC(=O)NCC1CCCCC1 240690a_100000210473_100015343762 [1,0,0,1,0,0|2,0,0]=4 14926 B11R1.91 CC(=O)NCC1CCCCC1 527a_100000210473_100103153847 [1,0,0,1,0,0|2,0,0]=4 14927 B11R1.91 NC(=O)CNC1CCCCC1 2230a_100000182618_100000747473 [1,0,0,1,0,0|2,0,0]=4 14928 B11R1.91 NC(=O)CNC1CCCCC1 34a_100000182618_100000187820 [1,0,0,1,0,0|2,0,0]=4 14929 B11R1.91 NC(=O)COC1CCCCC1 34a_100000210231_100000187820 [1,0,0,1,0,0|2,0,0]=4 14930 B11R1.91 NC(=O)COC1CCCCC1 7a_100000210231_100000187820 [1,0,0,1,0,0|2,0,0]=4 14931 B11R1.91 NC(=O)CSC1CCCCC1 62a_100000210327_100000747473 [1,0,0,1,0,0|2,0,0]=4 14932 B11R1.91 NC(=O)CSC1CCCCC1 62a_100000747473_100000210327 [1,0,0,1,0,0|2,0,0]=4 14933 B11R1.91 O=C(O)CNC1CCCCC1 269956a_100016091260_100000210327 [1,0,0,1,0,0|1,0,0]=3 14934 B11R1.91 O=C(O)CNC1CCCOC1 269956a_100016091260_100000693364 [1,0,0,1,0,0|2,0,0]=4 14935 B11R1.91 O=C(O)CNC1CCOCC1 269956a_100016091260_100011324220 [1,0,0,1,0,0|2,0,0]=4 14936 B11R1.91 O=C(O)CNC1CCSCC1 269956a_100016091260_100000069128 [1,0,0,1,0,0|2,0,0]=4 14937 B11R1.91 O=C([O-])CNC1CCCCC1 34a_100000182618_100020667443 [1,0,0,1,0,0|1,0,1]=4 14938 B11R1.91 O=C([O-])COC1CCCCC1 34a_100000210231_100020667443 [1,0,0,1,0,0|1,0,1]=4 14939 B11R1.91 O=C([O-])CSC1CCCCC1 62a_100000210327_100020667443 [1,0,0,1,0,0|1,0,1]=4 14940 B11R1.91 O=C([O-])CSC1CCCCC1 62a_100020667443_100000210327 [1,0,0,1,0,0|1,0,1]=4 14941 B11R1.91 [13CH3]C(=O)CCC1CCCCC1 1458a_100000211375_200025704644 [1,0,0,1,0,0|1,0,0]=3 14942 B11R1.91 [13CH3]C(=O)CCN1CCCCC1 1458a_100000743487_200025704644 [1,0,0,1,0,0|2,0,0]=4 14943 B11R1.91 [13CH3]C(=O)COC1CCCCC1 1458a_100011223303_200025704644 [1,0,0,1,0,0|2,0,0]=4 14944 B11R1.102 CC(=O)CCOCC1CC1C 7a_100000744939_100000053229 [1,0,0,1,0,0|2,0,0]=4 14945 B11R1.102 CC1CC1COCCC(=O)N 34a_100000744939_100000731001 [1,0,0,1,0,0|2,0,0]=4 14946 B11R1.102 CC1CC1COCCC(=O)N 7a_100000744939_100000744528 [1,0,0,1,0,0|2,0,0]=4 14947 B11R1.143 CC(=O)C1CCCCCN1C 1458a_100015187800_200000210301 [1,0,0,1,0,0|2,0,0]=4 14948 B11R1.143 CN1CCCCCC1C(=O)O 269956a_100000758484_200000210301 [1,0,0,1,0,0|1,0,0]=3 14949 B11R1.143 CN1CCCCCC1C(=O)[13CH3] 1458a_100015187800_200025704644 [1,0,0,1,0,0|2,0,0]=4 14950 B11R1.143 [13CH3]N1CCCCCC1C(=O)O 269956a_100000758484_200025704644 [1,0,0,1,0,0|1,0,0]=3 14951 B11R1.161 CC(=O)CCCN1CCC1C 269982a_100000755817_100011215641 [1,0,0,1,0,0|2,0,0]=4 14952 B11R1.161 CC(=O)CCCN1CCC1C 34a_100000755817_100000685027 [1,0,0,1,0,0|2,0,0]=4 14953 B11R1.161 CC1CCN1CCCC(=O)N 269982a_100000755817_100102525003 [1,0,0,1,0,0|2,0,0]=4 14954 B11R1.161 CC1CCN1CCCC(=O)N 34a_100000755817_100102525003 [1,0,0,1,0,0|2,0,0]=4 14955 B11R1.172 CC(=O)CCCC1CCCC1 1458a_100000070787_100011713738 [1,0,0,1,0,0|1,0,0]=3 14956 B11R1.172 CC(=O)CCCN1CCCC1 1458a_100000070787_100011445909 [1,0,0,1,0,0|2,0,0]=4 14957 B11R1.172 CC(=O)CCCN1CCCC1 1458a_100000743284_200000210301 [1,0,0,1,0,0|2,0,0]=4 14958 B11R1.172 CC(=O)CCCN1CCCC1 269982a_100000188435_100011215641 [1,0,0,1,0,0|2,0,0]=4 14959 B11R1.172 CC(=O)CCOC1CCCC1 34a_100000759926_100000179811 [1,0,0,1,0,0|2,0,0]=4 14960 B11R1.172 CC(=O)CCOC1CCCC1 7a_100000210269_100000053229 [1,0,0,1,0,0|2,0,0]=4 14961 B11R1.172 CC(=O)CCOC1CCCC1 7a_100000759926_100000179811 [1,0,0,1,0,0|2,0,0]=4 14962 B11R1.172 CC(=O)CCSC1CCCC1 62a_100000053229_100000179811 [1,0,0,1,0,0|2,0,0]=4 14963 B11R1.172 CC(=O)CCSC1CCCC1 62a_100011217020_100000053229 [1,0,0,1,0,0|2,0,0]=4 14964 B11R1.172 CC(=O)COCC1CCCC1 34a_100000211253_100000740388 [1,0,0,1,0,0|2,0,0]=4 14965 B11R1.172 CC(=O)NCCC1CCCC1 11a_100000739158_100015343762 [1,0,0,1,0,0|2,0,0]=4 14966 B11R1.172 CC(=O)NCCC1CCCC1 1626a_100000739158_100015343762 [1,0,0,1,0,0|2,0,0]=4 14967 B11R1.172 CC(=O)NCCC1CCCC1 240690a_100000739158_100015343762 [1,0,0,1,0,0|2,0,0]=4 14968 B11R1.172 CC(=O)NCCC1CCCC1 527a_100000739158_100103153847 [1,0,0,1,0,0|2,0,0]=4 14969 B11R1.172 NC(=O)CCCN1CCCC1 269982a_100000188435_100102525003 [1,0,0,1,0,0|2,0,0]=4 14970 B11R1.172 NC(=O)CCNC1CCCC1 2230a_100000211070_100000744528 [1,0,0,1,0,0|2,0,0]=4 14971 B11R1.172 NC(=O)CCNC1CCCC1 34a_100000211070_100000731001 [1,0,0,1,0,0|2,0,0]=4 14972 B11R1.172 NC(=O)CCOC1CCCC1 34a_100000210269_100000731001 [1,0,0,1,0,0|2,0,0]=4 14973 B11R1.172 NC(=O)CCOC1CCCC1 34a_100000757172_100000179811 [1,0,0,1,0,0|2,0,0]=4 14974 B11R1.172 NC(=O)CCOC1CCCC1 7a_100000210269_100000744528 [1,0,0,1,0,0|2,0,0]=4 14975 B11R1.172 NC(=O)CCOC1CCCC1 7a_100000757172_100000179811 [1,0,0,1,0,0|2,0,0]=4 14976 B11R1.172 NC(=O)CCSC1CCCC1 62a_100000744528_100000179811 [1,0,0,1,0,0|2,0,0]=4 14977 B11R1.172 NC(=O)CCSC1CCCC1 62a_100011217020_100000744528 [1,0,0,1,0,0|2,0,0]=4 14978 B11R1.172 NC(=O)CNCC1CCCC1 2230a_100000711301_100000740388 [1,0,0,1,0,0|2,0,0]=4 14979 B11R1.172 NC(=O)CNCC1CCCC1 2230a_100000737975_100000747473 [1,0,0,1,0,0|2,0,0]=4 14980 B11R1.172 NC(=O)CNCC1CCCC1 34a_100000737975_100000187820 [1,0,0,1,0,0|2,0,0]=4 14981 B11R1.172 NC(=O)COCC1CCCC1 34a_100000742336_100000187820 [1,0,0,1,0,0|2,0,0]=4 14982 B11R1.172 NC(=O)COCC1CCCC1 7a_100000742336_100000187820 [1,0,0,1,0,0|2,0,0]=4 14983 B11R1.172 NC(=O)CSCC1CCCC1 62a_100000740388_100000747473 [1,0,0,1,0,0|2,0,0]=4 14984 B11R1.172 NC(=O)CSCC1CCCC1 62a_100000747473_100000740388 [1,0,0,1,0,0|2,0,0]=4 14985 B11R1.172 O=C(O)CNCC1CCCC1 269956a_100016091260_100000740388 [1,0,0,1,0,0|1,0,0]=3 14986 B11R1.172 O=C(O)CNCC1CCCO1 269956a_100016091260_100000183445 [1,0,0,1,0,0|2,0,0]=4 14987 B11R1.172 O=C(O)CNCC1CCOC1 269956a_100016091260_100011261433 [1,0,0,1,0,0|2,0,0]=4 14988 B11R1.172 O=C(O)CONC1CCCC1 269956a_100000106656_100000179811 [1,0,0,1,0,0|2,0,0]=4 14989 B11R1.172 O=C([O-])CNCC1CCCC1 34a_100000737975_100020667443 [1,0,0,1,0,0|1,0,1]=4 14990 B11R1.172 O=C([O-])COCC1CCCC1 34a_100000742336_100020667443 [1,0,0,1,0,0|1,0,1]=4 14991 B11R1.172 O=C([O-])CSCC1CCCC1 62a_100000740388_100020667443 [1,0,0,1,0,0|1,0,1]=4 14992 B11R1.172 O=C([O-])CSCC1CCCC1 62a_100020667443_100000740388 [1,0,0,1,0,0|1,0,1]=4 14993 B11R1.172 [13CH3]C(=O)CCCN1CCCC1 1458a_100000743284_200025704644 [1,0,0,1,0,0|2,0,0]=4 14994 B11R1.174 CC(=O)CCCCN1CCC1 269982a_100000754969_100000735457 [1,0,0,1,0,0|2,0,0]=4 14995 B11R1.174 CC(=O)CCCNC1CCC1 34a_100000749019_100000685027 [1,0,0,1,0,0|2,0,0]=4 14996 B11R1.174 CC(=O)CCCOC1CCC1 34a_100000748187_100000685027 [1,0,0,1,0,0|2,0,0]=4 14997 B11R1.174 CC(=O)CCCOC1CCC1 34a_100000759063_100000749161 [1,0,0,1,0,0|2,0,0]=4 14998 B11R1.174 CC(=O)CCCSC1CCC1 62a_100011215641_100000749161 [1,0,0,1,0,0|2,0,0]=4 14999 B11R1.174 CC(=O)CCOCC1CCC1 34a_100000759926_100000763275 [1,0,0,1,0,0|2,0,0]=4 15000 B11R1.174 CC(=O)CCOCC1CCC1 7a_100000759926_100000763275 [1,0,0,1,0,0|2,0,0]=4 15001 B11R1.174 CC(=O)CCSCC1CCC1 62a_100000053229_100000763275 [1,0,0,1,0,0|2,0,0]=4 15002 B11R1.174 CC(=O)CCSCC1CCC1 62a_100000763275_100000053229 [1,0,0,1,0,0|2,0,0]=4 15003 B11R1.174 NC(=O)CCCNC1CCC1 34a_100000739312_100000749161 [1,0,0,1,0,0|2,0,0]=4 15004 B11R1.174 NC(=O)CCCNC1CCC1 34a_100000749019_100102525003 [1,0,0,1,0,0|2,0,0]=4 15005 B11R1.174 NC(=O)CCCOC1CCC1 34a_100000748187_100102525003 [1,0,0,1,0,0|2,0,0]=4 15006 B11R1.174 NC(=O)CCCSC1CCC1 62a_100102525003_100000749161 [1,0,0,1,0,0|2,0,0]=4 15007 B11R1.174 NC(=O)CCNCC1CCC1 2230a_100000738700_100000744528 [1,0,0,1,0,0|2,0,0]=4 15008 B11R1.174 NC(=O)CCNCC1CCC1 269862a_100000740010_100000753134 [1,0,0,1,0,0|2,0,0]=4 15009 B11R1.174 NC(=O)CCNCC1CCC1 34a_100000738700_100000731001 [1,0,0,1,0,0|2,0,0]=4 15010 B11R1.174 NC(=O)CCOCC1CCC1 34a_100000757172_100000763275 [1,0,0,1,0,0|2,0,0]=4 15011 B11R1.174 NC(=O)CCOCC1CCC1 34a_100000760304_100000731001 [1,0,0,1,0,0|2,0,0]=4 15012 B11R1.174 NC(=O)CCOCC1CCC1 7a_100000757172_100000763275 [1,0,0,1,0,0|2,0,0]=4 15013 B11R1.174 NC(=O)CCSCC1CCC1 62a_100000744528_100000763275 [1,0,0,1,0,0|2,0,0]=4 15014 B11R1.174 NC(=O)CCSCC1CCC1 62a_100000763275_100000744528 [1,0,0,1,0,0|2,0,0]=4 15015 B11R1.174 O=C(O)CONCC1CCC1 269956a_100000106656_100000763275 [1,0,0,1,0,0|2,0,0]=4 15016 B11R1.176 CC(=O)CCCCNC1CC1 34a_100000212008_100009817362 [1,0,0,1,0,0|2,0,0]=4 15017 B11R1.176 CC(=O)CCCCSC1CC1 62a_100000735457_100000211595 [1,0,0,1,0,0|2,0,0]=4 15018 B11R1.176 CC(=O)CCCNCC1CC1 34a_100000735609_100000685027 [1,0,0,1,0,0|2,0,0]=4 15019 B11R1.176 CC(=O)CCCOCC1CC1 34a_100000211283_100000685027 [1,0,0,1,0,0|2,0,0]=4 15020 B11R1.176 CC(=O)CCCOCC1CC1 34a_100000759063_100000742324 [1,0,0,1,0,0|2,0,0]=4 15021 B11R1.176 CC(=O)CCCOCC1CC1 7a_100000759063_100000742324 [1,0,0,1,0,0|2,0,0]=4 15022 B11R1.176 CC(=O)CCCSCC1CC1 62a_100000756562_100011215641 [1,0,0,1,0,0|2,0,0]=4 15023 B11R1.176 CC(=O)CCCSCC1CC1 62a_100011215641_100000742324 [1,0,0,1,0,0|2,0,0]=4 15024 B11R1.176 CC(=O)CCOCCC1CC1 34a_100000759926_100000694398 [1,0,0,1,0,0|2,0,0]=4 15025 B11R1.176 CC(=O)CCOCCC1CC1 7a_100000754188_100000053229 [1,0,0,1,0,0|2,0,0]=4 15026 B11R1.176 CC(=O)CCOCCC1CC1 7a_100000759926_100000764125 [1,0,0,1,0,0|2,0,0]=4 15027 B11R1.176 CC(=O)CCSCCC1CC1 62a_100000053229_100000764125 [1,0,0,1,0,0|2,0,0]=4 15028 B11R1.176 CC(=O)CCSCCC1CC1 62a_100000764125_100000053229 [1,0,0,1,0,0|2,0,0]=4 15029 B11R1.176 NC(=O)CCCCNC1CC1 34a_100000696515_100000211595 [1,0,0,1,0,0|2,0,0]=4 15030 B11R1.176 NC(=O)CCCCOC1CC1 34a_100012022536_100000211595 [1,0,0,1,0,0|2,0,0]=4 15031 B11R1.176 NC(=O)CCCNCC1CC1 269862a_100000739312_100000741477 [1,0,0,1,0,0|2,0,0]=4 15032 B11R1.176 NC(=O)CCCNCC1CC1 34a_100000735609_100102525003 [1,0,0,1,0,0|2,0,0]=4 15033 B11R1.176 NC(=O)CCCNCC1CC1 34a_100000739312_100000742324 [1,0,0,1,0,0|2,0,0]=4 15034 B11R1.176 NC(=O)CCCOCC1CC1 34a_100000211283_100102525003 [1,0,0,1,0,0|2,0,0]=4 15035 B11R1.176 NC(=O)CCCSCC1CC1 62a_100000756562_100102525003 [1,0,0,1,0,0|2,0,0]=4 15036 B11R1.176 NC(=O)CCCSCC1CC1 62a_100102525003_100000742324 [1,0,0,1,0,0|2,0,0]=4 15037 B11R1.176 NC(=O)CCNCCC1CC1 34a_100000764129_100000731001 [1,0,0,1,0,0|2,0,0]=4 15038 B11R1.176 NC(=O)CCOCCC1CC1 34a_100000754188_100000731001 [1,0,0,1,0,0|2,0,0]=4 15039 B11R1.176 NC(=O)CCOCCC1CC1 34a_100000757172_100000694398 [1,0,0,1,0,0|2,0,0]=4 15040 B11R1.176 NC(=O)CCOCCC1CC1 7a_100000754188_100000744528 [1,0,0,1,0,0|2,0,0]=4 15041 B11R1.176 NC(=O)CCOCCC1CC1 7a_100000757172_100000764125 [1,0,0,1,0,0|2,0,0]=4 15042 B11R1.176 NC(=O)CCSCCC1CC1 62a_100000744528_100000764125 [1,0,0,1,0,0|2,0,0]=4 15043 B11R1.176 NC(=O)CCSCCC1CC1 62a_100000764125_100000744528 [1,0,0,1,0,0|2,0,0]=4 15044 B11R1.176 O=C(O)CNCCCC1CO1 269956a_100016091260_100000733510 [1,0,0,1,0,0|2,0,0]=4 15045 B11R1.176 O=C(O)COCCNC1CC1 269956a_100000700818_100000211595 [1,0,0,1,0,0|2,0,0]=4 15046 B11R1.176 O=C(O)CONCCC1CC1 269956a_100000106656_100000694398 [1,0,0,1,0,0|2,0,0]=4 15047 B11R1.193 CCCN1CCC[C@H]1C(=O)N 2230a_100000003125_100000210303 [1,0,0,1,0,0|2,0,0]=4 15048 B11R1.193 CCCN1CCC[C@H]1C(=O)O 269956a_100000743916_100000210207 [1,0,0,1,0,0|1,0,0]=3 15049 B11R1.193 CCCN1CCSC1C(=O)O 269956a_100000035718_100000210207 [1,0,0,1,0,0|2,0,0]=4 15050 B11R1.193 CCCN1CSC[C@H]1C(=O)O 269956a_100000743924_100000210207 [1,0,0,1,0,0|2,0,0]=4 15051 B11R1.193 COCN1CCC[C@H]1C(=O)O 269956a_100000743916_100000766300 [1,0,0,1,0,0|2,0,0]=4 15052 B11R1.193 CSCN1CCC[C@H]1C(=O)O 269956a_100000743916_100011218213 [1,0,0,1,0,0|2,0,0]=4 15053 B11R1.193 O=C(O)[C@@H]1CCCN1CCF 269956a_100000743916_100011217306 [1,0,0,1,0,0|2,0,0]=4 15054 B11R1.193 O=C(O)[C@@H]1CCCN1CCO 269956a_100000743916_100000211926 [1,0,0,1,0,0|2,0,0]=4 15055 B11R1.204 CCCCN1CCC1C(=O)O 269956a_100000021838_100000210211 [1,0,0,1,0,0|1,0,0]=3 15056 B11R1.204 CCOCN1CCC1C(=O)O 269956a_100000021838_100000739092 [1,0,0,1,0,0|2,0,0]=4 15057 B11R1.204 COCCN1CCC1C(=O)O 269956a_100000021838_100000233755 [1,0,0,1,0,0|2,0,0]=4 15058 B11R1.204 CSCCN1CCC1C(=O)O 269956a_100000021838_100000212216 [1,0,0,1,0,0|2,0,0]=4 15059 B11R1.204 O=C(O)C1CCN1CCCF 269956a_100000021838_100011934791 [1,0,0,1,0,0|2,0,0]=4 15060 B11R1.204 O=C(O)C1CCN1CCCO 269956a_100000021838_100011215043 [1,0,0,1,0,0|2,0,0]=4 15061 B11R1.706 CC(=O)N1CCCCCCC1 11a_100000211400_100015343762 [1,0,0,1,0,0|2,0,0]=4 15062 B11R1.706 CC(=O)N1CCCCCCC1 1626a_100000211400_100015343762 [1,0,0,1,0,0|2,0,0]=4 15063 B11R1.706 CC(=O)N1CCCCCCC1 240690a_100000211400_100015343762 [1,0,0,1,0,0|2,0,0]=4 15064 B11R1.706 CC(=O)N1CCCCCCC1 527a_100000211400_100103153847 [1,0,0,1,0,0|2,0,0]=4 15065 B11R1.742 CC(=O)CC1CCCCCC1 1458a_100000070787_200000696569 [1,0,0,1,0,0|1,0,0]=3 15066 B11R1.742 CC(=O)CC1CCCCCC1 1458a_100000685095_200000210301 [1,0,0,1,0,0|1,0,0]=3 15067 B11R1.742 CC(=O)CN1CCCCCC1 1458a_100000740298_200000210301 [1,0,0,1,0,0|2,0,0]=4 15068 B11R1.742 CC(=O)NC1CCCCCC1 11a_100000210984_100015343762 [1,0,0,1,0,0|2,0,0]=4 15069 B11R1.742 CC(=O)NC1CCCCCC1 1626a_100000210984_100015343762 [1,0,0,1,0,0|2,0,0]=4 15070 B11R1.742 CC(=O)NC1CCCCCC1 240690a_100000210984_100015343762 [1,0,0,1,0,0|2,0,0]=4 15071 B11R1.742 CC(=O)NC1CCCCCC1 527a_100000210984_100103153847 [1,0,0,1,0,0|2,0,0]=4 15072 B11R1.742 NC(=O)CN1CCCCCC1 2230a_100000185865_100000747473 [1,0,0,1,0,0|2,0,0]=4 15073 B11R1.742 NC(=O)CN1CCCCCC1 269982a_100000185865_100000187820 [1,0,0,1,0,0|2,0,0]=4 15074 B11R1.742 NC(=O)CN1CCCCCC1 34a_100000185865_100000187820 [1,0,0,1,0,0|2,0,0]=4 15075 B11R1.742 O=C([O-])CN1CCCCCC1 269982a_100000185865_100020667443 [1,0,0,1,0,0|1,0,1]=4 15076 B11R1.742 O=C([O-])CN1CCCCCC1 34a_100000185865_100020667443 [1,0,0,1,0,0|1,0,1]=4 15077 B11R1.742 [13CH3]C(=O)CC1CCCCCC1 1458a_100000685095_200025704644 [1,0,0,1,0,0|1,0,0]=3 15078 B11R1.742 [13CH3]C(=O)CN1CCCCCC1 1458a_100000740298_200025704644 [1,0,0,1,0,0|2,0,0]=4 15079 B11R1.4 C=CCCCCN1CCCC1 2230a_100000188435_100011215482 [1,0,0,1,0,0|2,0,0]=4 15080 B11R1.4 C=CCCCCN1CCCC1 269982a_100000188435_100011215482 [1,0,0,1,0,0|2,0,0]=4 15081 B11R1.4 C=CCCCNC1CCCC1 2230a_100000211070_100011713584 [1,0,0,1,0,0|2,0,0]=4 15082 B11R1.4 C=CCCCNC1CCCC1 2230a_100000700776_100000179811 [1,0,0,1,0,0|2,0,0]=4 15083 B11R1.4 C=CCCCNC1CCCC1 270004a_100000700776_100000210133 [1,0,0,1,0,0|2,0,0]=4 15084 B11R1.4 C=CCCCNC1CCCC1 34a_100000211070_100000757094 [1,0,0,1,0,0|2,0,0]=4 15085 B11R1.4 C=CCCCNC1CCCC1 34a_100000700776_100000179811 [1,0,0,1,0,0|2,0,0]=4 15086 B11R1.4 C=CCCCOC1CCCC1 34a_100000210269_100000757094 [1,0,0,1,0,0|2,0,0]=4 15087 B11R1.4 C=CCCCOC1CCCC1 34a_100000758997_100000179811 [1,0,0,1,0,0|2,0,0]=4 15088 B11R1.4 C=CCCCOC1CCCC1 7a_100000210269_100000757094 [1,0,0,1,0,0|2,0,0]=4 15089 B11R1.4 C=CCCCOC1CCCC1 7a_100000758997_100000179811 [1,0,0,1,0,0|2,0,0]=4 15090 B11R1.4 C=CCCCSC1CCCC1 62a_100011217020_100000757094 [1,0,0,1,0,0|2,0,0]=4 15091 B11R1.4 C=CCCCSC1CCCC1 62a_100011713584_100000179811 [1,0,0,1,0,0|2,0,0]=4 15092 B11R1.4 C=CCCNCC1CCCC1 2230a_100000737975_100000754431 [1,0,0,1,0,0|2,0,0]=4 15093 B11R1.4 C=CCCNCC1CCCC1 2230a_100015191253_100000740388 [1,0,0,1,0,0|2,0,0]=4 15094 B11R1.4 C=CCCNCC1CCCC1 269862a_100015191253_100000746403 [1,0,0,1,0,0|2,0,0]=4 15095 B11R1.4 C=CCCNCC1CCCC1 34a_100000737975_100000754431 [1,0,0,1,0,0|2,0,0]=4 15096 B11R1.4 C=CCCOCC1CCCC1 34a_100000742336_100000754431 [1,0,0,1,0,0|2,0,0]=4 15097 B11R1.4 C=CCCOCC1CCCC1 34a_100011205117_100000740388 [1,0,0,1,0,0|2,0,0]=4 15098 B11R1.4 C=CCCOCC1CCCC1 7a_100000742336_100000754431 [1,0,0,1,0,0|2,0,0]=4 15099 B11R1.4 C=CCCSCC1CCCC1 62a_100000740388_100000754431 [1,0,0,1,0,0|2,0,0]=4 15100 B11R1.4 C=CCCSCC1CCCC1 62a_100000754431_100000740388 [1,0,0,1,0,0|2,0,0]=4 15101 B11R1.4 C=CCNCCC1CCCC1 2230a_100000739158_100000210623 [1,0,0,1,0,0|2,0,0]=4 15102 B11R1.4 C=CCNCCC1CCCC1 2230a_100020586998_100000760354 [1,0,0,1,0,0|2,0,0]=4 15103 B11R1.4 C=CCNCCC1CCCC1 34a_100000739158_100015514636 [1,0,0,1,0,0|2,0,0]=4 15104 B11R1.4 C=CCOCCC1CCCC1 34a_100000749090_100015514636 [1,0,0,1,0,0|2,0,0]=4 15105 B11R1.4 C=CCOCCC1CCCC1 34a_200000210373_100000760354 [1,0,0,1,0,0|2,0,0]=4 15106 B11R1.4 C=CCOCCC1CCCC1 7a_100000749090_100015514636 [1,0,0,1,0,0|2,0,0]=4 15107 B11R1.4 C=CCSCCC1CCCC1 62a_100000210623_100000760354 [1,0,0,1,0,0|2,0,0]=4 15108 B11R1.4 C=CCSCCC1CCCC1 62a_100000760354_100000210623 [1,0,0,1,0,0|2,0,0]=4 15109 B11R1.4 CCCCCOC1CCCO1 34a_100000085407_100000718602 [1,0,0,1,0,0|1,0,1]=4 15110 B11R1.4 CCCCNCC1CCCO1 2230a_100000102301_100000203698 [1,0,0,1,0,0|1,0,1]=4 15111 B11R1.4 CCCCNCC1CCCO1 7a_106832991798_100000203698 [1,0,0,1,0,0|1,0,1]=4 15112 B11R1.4 CCCCNC[C@@H]1CCCO1 2230a_100020590478_100000210211 [1,0,0,1,0,0|1,0,1]=4 15113 B11R1.4 CCCCNC[C@@H]1CCCO1 34a_100020590478_100000210210 [1,0,0,1,0,0|1,0,1]=4 15114 B11R1.4 CCCCOCC1CCCO1 34a_100000210270_100000210210 [1,0,0,1,0,0|1,0,1]=4 15115 B11R1.4 CCCCOCC1CCCO1 7a_100000210227_100000203698 [1,0,0,1,0,0|1,0,1]=4 15116 B11R1.4 CCCCOCC1CCCO1 7a_100000210270_100000210211 [1,0,0,1,0,0|1,0,1]=4 15117 B11R1.4 CCCCSCC1CCCO1 62a_100000203698_100000210210 [1,0,0,1,0,0|1,0,1]=4 15118 B11R1.4 CCCCSCC1CCCO1 62a_100000210211_100000203698 [1,0,0,1,0,0|1,0,1]=4 15119 B11R1.4 O=CCCCCN1CCCC1 2230a_100000188435_100000139335 [1,0,0,1,0,0|1,0,0]=3 15120 B11R1.4 O=CCCCCN1CCCC1 269982a_100000188435_100000139335 [1,0,0,1,0,0|1,0,0]=3 15121 B11R1.4 O=CCCCCN1CCSC1 2230a_100011215254_100000139335 [1,0,0,1,0,0|2,0,0]=4 15122 B11R1.4 O=CCCCCN1CCSC1 269982a_100011215254_100000139335 [1,0,0,1,0,0|2,0,0]=4 15123 B11R1.4 O=CCCCNC1CCCC1 2230a_100000211070_200011292268 [1,0,0,1,0,0|1,0,0]=3 15124 B11R1.4 O=CCCCN[C@@H]1CCOC1 2230a_200015188469_200011292268 [1,0,0,1,0,0|2,0,0]=4 15125 B11R1.4 O=CCCCN[C@H]1CCOC1 2230a_100015188467_200011292268 [1,0,0,1,0,0|2,0,0]=4 15126 B11R1.4 O=CCCCOC1CCCC1 7a_100000210269_200011292268 [1,0,0,1,0,0|1,0,0]=3 15127 B11R1.4 O=CCCCOC1CCSC1 7a_100011232664_200011292268 [1,0,0,1,0,0|2,0,0]=4 15128 B11R1.4 O=CCCCSC1CCCC1 62a_100011217020_200011292268 [1,0,0,1,0,0|1,0,0]=3 15129 B11R1.4 O=CCCCSC1CCCC1 62a_200011292268_100000179811 [1,0,0,1,0,0|1,0,0]=3 15130 B11R1.4 O=CCCCSC1CCOC1 62a_200011292268_100000690089 [1,0,0,1,0,0|2,0,0]=4 15131 B11R1.4 O=CCNCCC1CCCC1 2230a_100000739158_200015260668 [1,0,0,1,0,0|1,0,0]=3 15132 B11R1.4 O=CCNCCC1CCCC1 34a_100000739158_200009817547 [1,0,0,1,0,0|1,0,0]=3 15133 B11R1.4 O=CCOCCC1CCCC1 34a_100000749090_200009817547 [1,0,0,1,0,0|1,0,0]=3 15134 B11R1.4 O=CCOCCC1CCCC1 7a_100000749090_200015260668 [1,0,0,1,0,0|1,0,0]=3 15135 B11R1.4 O=CCOCCC1CCNC1 34a_100016987287_200009817547 [1,0,0,1,0,0|2,0,0]=4 15136 B11R1.4 O=CCOCCC1CCOC1 34a_100011879284_200009817547 [1,0,0,1,0,0|2,0,0]=4 15137 B11R1.4 O=CCSCCC1CCCC1 62a_100000760354_200015260668 [1,0,0,1,0,0|1,0,0]=3 15138 B11R1.4 O=CCSCCC1CCCC1 62a_200015260668_100000760354 [1,0,0,1,0,0|1,0,0]=3 15139 B11R1.4 O=CCSCCN1CCCC1 62a_100000700749_200015260668 [1,0,0,1,0,0|2,0,0]=4 15140 B11R1.4 O=CCSCCN1CCCC1 62a_200015260668_100000004467 [1,0,0,1,0,0|2,0,0]=4 15141 B11R1.4 OCCCCCN1CCCC1 2230a_100000188435_100000746330 [1,0,0,1,0,0|1,0,1]=4 15142 B11R1.4 OCCCCCN1CCCC1 269982a_100000188435_100000746330 [1,0,0,1,0,0|1,0,1]=4 15143 B11R1.4 OCCCCNC1CCCC1 2230a_100000211070_100000210776 [1,0,0,1,0,0|1,0,1]=4 15144 B11R1.4 OCCCCNC1CCCC1 2230a_100000750430_100000179811 [1,0,0,1,0,0|1,0,1]=4 15145 B11R1.4 OCCCCNC1CCCC1 270004a_100000750430_100000210133 [1,0,0,1,0,0|1,0,1]=4 15146 B11R1.4 OCCCCNC1CCCC1 34a_100000211070_100011216708 [1,0,0,1,0,0|1,0,1]=4 15147 B11R1.4 OCCCCNC1CCCC1 34a_100000750430_100000179811 [1,0,0,1,0,0|1,0,1]=4 15148 B11R1.4 OCCCCOC1CCCC1 34a_100000210269_100011216708 [1,0,0,1,0,0|1,0,1]=4 15149 B11R1.4 OCCCCOC1CCCC1 7a_100000210269_100000210776 [1,0,0,1,0,0|1,0,1]=4 15150 B11R1.4 OCCCCSC1CCCC1 62a_100000210776_100000179811 [1,0,0,1,0,0|1,0,1]=4 15151 B11R1.4 OCCCCSC1CCCC1 62a_100011217020_100000210776 [1,0,0,1,0,0|1,0,1]=4 15152 B11R1.4 OCCCNCC1CCCC1 2230a_100000737975_100000230001 [1,0,0,1,0,0|1,0,1]=4 15153 B11R1.4 OCCCNCC1CCCC1 269862a_100000182051_100000746403 [1,0,0,1,0,0|1,0,1]=4 15154 B11R1.4 OCCCNCC1CCCC1 34a_100000737975_100000230001 [1,0,0,1,0,0|1,0,1]=4 15155 B11R1.4 OCCCOCC1CCCC1 34a_100000742336_100000230001 [1,0,0,1,0,0|1,0,1]=4 15156 B11R1.4 OCCCOCC1CCCC1 7a_100000742336_100011215043 [1,0,0,1,0,0|1,0,1]=4 15157 B11R1.4 OCCCSCC1CCCC1 62a_100000740388_100011215043 [1,0,0,1,0,0|1,0,1]=4 15158 B11R1.4 OCCCSCC1CCCC1 62a_100011215043_100000740388 [1,0,0,1,0,0|1,0,1]=4 15159 B11R1.4 OCCNCCC1CCCC1 2230a_100000739158_100000211926 [1,0,0,1,0,0|1,0,1]=4 15160 B11R1.4 OCCNCCC1CCCC1 2230a_100016997473_100000760354 [1,0,0,1,0,0|1,0,1]=4 15161 B11R1.4 OCCNCCC1CCCC1 34a_100000739158_100000211926 [1,0,0,1,0,0|1,0,1]=4 15162 B11R1.4 OCCNCCC1CCCC1 34a_100016990907_100000760354 [1,0,0,1,0,0|1,0,1]=4 15163 B11R1.4 OCCOCCC1CCCC1 34a_100000749090_100000211926 [1,0,0,1,0,0|1,0,1]=4 15164 B11R1.4 OCCOCCC1CCCC1 7a_100000749090_100000211926 [1,0,0,1,0,0|1,0,1]=4 15165 B11R1.4 OCCSCCC1CCCC1 62a_100000211926_100000760354 [1,0,0,1,0,0|1,0,1]=4 15166 B11R1.4 OCCSCCC1CCCC1 62a_100000760354_100000211926 [1,0,0,1,0,0|1,0,1]=4 15167 B11R1.5 CCNC1CCCCNC1=O 2230a_100000698827_100000210202 [1,0,0,1,0,0|2,0,0]=4 15168 B11R1.5 CCNC1CCCCNC1=O 2230a_100015525214_100000735217 [1,0,0,1,0,0|2,0,0]=4 15169 B11R1.5 CCNC1CCCCNC1=O 34a_100000698827_100000210202 [1,0,0,1,0,0|2,0,0]=4 15170 B11R1.5 CCSC1CCCCCC1=O 62a_100000210202_100000243696 [1,0,0,1,0,0|1,0,0]=3 15171 B11R1.5 CCSC1CCCCCC1=O 62a_100000243696_100000210202 [1,0,0,1,0,0|1,0,0]=3 15172 B11R1.5 CCSC1CCCCNC1=O 62a_100000210202_100000735217 [1,0,0,1,0,0|2,0,0]=4 15173 B11R1.5 CCSC1CCCCNC1=O 62a_100000735217_100000210202 [1,0,0,1,0,0|2,0,0]=4 15174 B11R1.5 O=C1CCCCCC1SCF 62a_100000243696_100015361967 [1,0,0,1,0,0|2,0,0]=4 15175 B11R1.5 O=C1CCCCCC1SCF 62a_100015361967_100000243696 [1,0,0,1,0,0|2,0,0]=4 15176 B11R1.17 C=CCCN1CCCCC1C 2230a_100000211376_100000754431 [1,0,0,1,0,0|2,0,0]=4 15177 B11R1.17 C=CCCN1CCCCC1C 269982a_100000211376_100000754431 [1,0,0,1,0,0|2,0,0]=4 15178 B11R1.17 C=CCCN1CCCCC1C 34a_100000211376_100000754431 [1,0,0,1,0,0|2,0,0]=4 15179 B11R1.17 C=CCNC1CCCCC1C 2230a_100000211402_100000210623 [1,0,0,1,0,0|2,0,0]=4 15180 B11R1.17 C=CCNC1CCCCC1C 270004a_100020586998_100000210921 [1,0,0,1,0,0|2,0,0]=4 15181 B11R1.17 C=CCNC1CCCCC1C 34a_100000211402_100015514636 [1,0,0,1,0,0|2,0,0]=4 15182 B11R1.17 C=CCOC1CCCCC1C 34a_100000211207_100015514636 [1,0,0,1,0,0|2,0,0]=4 15183 B11R1.17 C=CCOC1CCCCC1C 7a_100000211207_100015514636 [1,0,0,1,0,0|2,0,0]=4 15184 B11R1.17 CC1CCCCC1NCC=O 2230a_100000211402_200015260668 [1,0,0,1,0,0|1,0,0]=3 15185 B11R1.17 CC1CCCCC1NCC=O 34a_100000211402_200009817547 [1,0,0,1,0,0|1,0,0]=3 15186 B11R1.17 CC1CCCCC1NCCO 2230a_100000211402_100000211926 [1,0,0,1,0,0|1,0,1]=4 15187 B11R1.17 CC1CCCCC1NCCO 269862a_100000210304_100000210921 [1,0,0,1,0,0|1,0,1]=4 15188 B11R1.17 CC1CCCCC1NCCO 270004a_100000210304_100000210921 [1,0,0,1,0,0|1,0,1]=4 15189 B11R1.17 CC1CCCCC1NCCO 34a_100000211402_100000211926 [1,0,0,1,0,0|1,0,1]=4 15190 B11R1.17 CC1CCCCC1OCC=O 34a_100000211207_200009817547 [1,0,0,1,0,0|1,0,0]=3 15191 B11R1.17 CC1CCCCC1OCC=O 7a_100000211207_200015260668 [1,0,0,1,0,0|1,0,0]=3 15192 B11R1.17 CC1CCCCC1OCCO 34a_100000211207_100000211926 [1,0,0,1,0,0|1,0,1]=4 15193 B11R1.17 CC1CCCCC1OCCO 7a_100000211207_100000211926 [1,0,0,1,0,0|1,0,1]=4 15194 B11R1.17 CC1CCCCN1CCCO 2230a_100000211376_100000230001 [1,0,0,1,0,0|1,0,1]=4 15195 B11R1.17 CC1CCCCN1CCCO 269982a_100000211376_100011215043 [1,0,0,1,0,0|1,0,1]=4 15196 B11R1.17 CC1CCCCN1CCCO 34a_100000211376_100000230001 [1,0,0,1,0,0|1,0,1]=4 15197 B11R1.17 CC1CCNCC1OCC=O 34a_100000696640_200009817547 [1,0,0,1,0,0|2,0,0]=4 15198 B11R1.17 CC1CNCCC1OCC=O 34a_100011998114_200009817547 [1,0,0,1,0,0|2,0,0]=4 15199 B11R1.17 CCCNC1CCCNC1=O 2230a_100000747585_100000210303 [1,0,0,1,0,0|2,0,0]=4 15200 B11R1.17 CCCNC1CCCNC1=O 34a_100000747585_100000210303 [1,0,0,1,0,0|2,0,0]=4 15201 B11R1.17 CCCOC1CCCCC1=O 34a_100000210258_100000754470 [1,0,0,1,0,0|1,0,0]=3 15202 B11R1.17 CCCOC1CCCCC1=O 34a_100011214950_100000210303 [1,0,0,1,0,0|1,0,0]=3 15203 B11R1.17 CCCOC1CCCCC1O 34a_100000210258_100000038908 [1,0,0,1,0,0|1,0,1]=4 15204 B11R1.17 CCCOC1CCCNC1=O 34a_100000073722_100000210303 [1,0,0,1,0,0|2,0,0]=4 15205 B11R1.17 CCCOC1CCCNC1=O 34a_100000210258_100000687798 [1,0,0,1,0,0|2,0,0]=4 15206 B11R1.17 CCCOC1COCCC1=O 34a_100000210258_100012180262 [1,0,0,1,0,0|2,0,0]=4 15207 B11R1.17 CCCSC1CCCCC1=O 62a_100000204591_100000210303 [1,0,0,1,0,0|1,0,0]=3 15208 B11R1.17 CCCSC1CCCCC1=O 62a_100000210303_100000204591 [1,0,0,1,0,0|1,0,0]=3 15209 B11R1.17 CCCSC1CCCCC1O 62a_100000038908_100000210303 [1,0,0,1,0,0|1,0,1]=4 15210 B11R1.17 CCCSC1CCCCC1O 62a_100000210303_100000038908 [1,0,0,1,0,0|1,0,1]=4 15211 B11R1.17 CCCSC1CCCNC1=O 62a_100000210303_100000687798 [1,0,0,1,0,0|2,0,0]=4 15212 B11R1.17 CCCSC1CCCNC1=O 62a_100000687798_100000210303 [1,0,0,1,0,0|2,0,0]=4 15213 B11R1.17 CCCSC1COCCC1=O 62a_100000210303_100012180262 [1,0,0,1,0,0|2,0,0]=4 15214 B11R1.17 CCCSC1COCCC1=O 62a_100012180262_100000210303 [1,0,0,1,0,0|2,0,0]=4 15215 B11R1.17 CCNCC1CCCCC1O 34a_100011216029_100000210202 [1,0,0,1,0,0|1,0,1]=4 15216 B11R1.17 CCOCC1CCCCC1=O 34a_100009861125_100000210202 [1,0,0,1,0,0|1,0,0]=3 15217 B11R1.17 CCOCC1CCCCC1=O 7a_100009861125_100000210202 [1,0,0,1,0,0|1,0,0]=3 15218 B11R1.17 CN1CCCCC1CCCO 2230a_100011934581_200000210301 [1,0,0,1,0,0|1,0,1]=4 15219 B11R1.17 CN1CCCCC1CCCO 269982a_100011934581_200000210301 [1,0,0,1,0,0|1,0,1]=4 15220 B11R1.17 CN1CCCCC1CCCO 34a_100011934581_200000210301 [1,0,0,1,0,0|1,0,1]=4 15221 B11R1.17 CNCCN1CCCCC1=O 2230a_100160573077_200000210301 [1,0,0,1,0,0|2,0,0]=4 15222 B11R1.17 CNCCN1CCCCC1=O 34a_100160573077_200000210301 [1,0,0,1,0,0|2,0,0]=4 15223 B11R1.17 COCSC1CCCCC1=O 62a_100000204591_100000766300 [1,0,0,1,0,0|2,0,0]=4 15224 B11R1.17 COCSC1CCCCC1=O 62a_100000766300_100000204591 [1,0,0,1,0,0|2,0,0]=4 15225 B11R1.17 CSCOC1CCCCC1=O 34a_100011214950_100011218213 [1,0,0,1,0,0|2,0,0]=4 15226 B11R1.17 CSCSC1CCCCC1=O 62a_100000204591_100011218213 [1,0,0,1,0,0|2,0,0]=4 15227 B11R1.17 CSCSC1CCCCC1=O 62a_100011218213_100000204591 [1,0,0,1,0,0|2,0,0]=4 15228 B11R1.17 NCCOC1CCCCC1=O 34a_100000210304_100000754470 [1,0,0,1,0,0|2,0,0]=4 15229 B11R1.17 N[C@@H]1CCCC[C@@H]1OCC=O 34a_100015191688_200009817547 [1,0,0,1,0,0|2,0,0]=4 15230 B11R1.17 O=C1CCCCC1COCF 34a_100009861125_100015361967 [1,0,0,1,0,0|2,0,0]=4 15231 B11R1.17 O=C1CCCCC1COCF 7a_100009861125_100015361967 [1,0,0,1,0,0|2,0,0]=4 15232 B11R1.17 O=C1CCCCC1NCCF 34a_100000724931_100000754470 [1,0,0,1,0,0|2,0,0]=4 15233 B11R1.17 O=C1CCCCC1NCCO 34a_100016990907_100000754470 [1,0,0,1,0,0|2,0,0]=4 15234 B11R1.17 O=C1CCCCC1OCCBr 34a_100000211926_100000754470 [1,0,0,1,0,0|2,0,0]=4 15235 B11R1.17 O=C1CCCCC1OCCF 34a_100011214950_100011217306 [1,0,0,1,0,0|2,0,0]=4 15236 B11R1.17 O=C1CCCCC1OCCO 34a_100011214950_100000211926 [1,0,0,1,0,0|2,0,0]=4 15237 B11R1.17 O=C1CCCCC1SCCF 62a_100000204591_100011217306 [1,0,0,1,0,0|2,0,0]=4 15238 B11R1.17 O=C1CCCCC1SCCF 62a_100011217306_100000204591 [1,0,0,1,0,0|2,0,0]=4 15239 B11R1.17 O=C1CCCCC1SCCO 62a_100000204591_100000211926 [1,0,0,1,0,0|2,0,0]=4 15240 B11R1.17 O=C1CCCCC1SCCO 62a_100000211926_100000204591 [1,0,0,1,0,0|2,0,0]=4 15241 B11R1.17 O=CCN[C@@H]1CCCC[C@H]1F 2230a_100015195156_200015260668 [1,0,0,1,0,0|2,0,0]=4 15242 B11R1.17 O=CCN[C@@H]1CCCC[C@H]1F 34a_100015195156_200009817547 [1,0,0,1,0,0|2,0,0]=4 15243 B11R1.17 O=CCOC1CCCCC1Cl 34a_100000038908_200009817547 [1,0,0,1,0,0|2,0,0]=4 15244 B11R1.17 O=CCOC1CCCCC1Cl 7a_100000038908_200015260668 [1,0,0,1,0,0|2,0,0]=4 15245 B11R1.17 O=CCO[C@@H]1CCCC[C@H]1F 34a_100009816020_200009817547 [1,0,0,1,0,0|2,0,0]=4 15246 B11R1.17 O=CCO[C@@H]1CCCC[C@H]1F 7a_100009816020_200015260668 [1,0,0,1,0,0|2,0,0]=4 15247 B11R1.17 O=CCSC1CCCCC1F 62a_100015423560_200015260668 [1,0,0,1,0,0|2,0,0]=4 15248 B11R1.17 O=CCSC1CCCCC1F 62a_200015260668_100015423560 [1,0,0,1,0,0|2,0,0]=4 15249 B11R1.17 O=CCSC1CCCCC1O 62a_100000038908_200015260668 [1,0,0,1,0,0|2,0,0]=4 15250 B11R1.17 O=CCSC1CCCCC1O 62a_200015260668_100000038908 [1,0,0,1,0,0|2,0,0]=4 15251 B11R1.17 [13CH3]N1CCCCC1CCCO 2230a_100011934581_200025704644 [1,0,0,1,0,0|1,0,1]=4 15252 B11R1.17 [13CH3]N1CCCCC1CCCO 269982a_100011934581_200025704644 [1,0,0,1,0,0|1,0,1]=4 15253 B11R1.17 [13CH3]N1CCCCC1CCCO 34a_100011934581_200025704644 [1,0,0,1,0,0|1,0,1]=4 15254 B11R1.17 [13CH3]NCCN1CCCCC1=O 2230a_100160573077_200025704644 [1,0,0,1,0,0|2,0,0]=4 15255 B11R1.17 [13CH3]NCCN1CCCCC1=O 34a_100160573077_200025704644 [1,0,0,1,0,0|2,0,0]=4 15256 B11R1.18 C=CCCN1CCCC1CC 2230a_100000754278_100000754431 [1,0,0,1,0,0|2,0,0]=4 15257 B11R1.18 C=CCCN1CCCC1CC 269982a_100000754278_100000754431 [1,0,0,1,0,0|2,0,0]=4 15258 B11R1.18 C=CCCN1CCCC1CC 34a_100000754278_100000754431 [1,0,0,1,0,0|2,0,0]=4 15259 B11R1.18 C=CCNC1CCCC1CC 270004a_100020586998_100000749056 [1,0,0,1,0,0|2,0,0]=4 15260 B11R1.18 CCC1CCCC1NCCO 269862a_100000210304_100000749056 [1,0,0,1,0,0|1,0,1]=4 15261 B11R1.18 CCC1CCCC1NCCO 270004a_100000210304_100000749056 [1,0,0,1,0,0|1,0,1]=4 15262 B11R1.18 CCC1CCCN1CCCO 2230a_100000754278_100000230001 [1,0,0,1,0,0|1,0,1]=4 15263 B11R1.18 CCC1CCCN1CCCO 269982a_100000754278_100011215043 [1,0,0,1,0,0|1,0,1]=4 15264 B11R1.18 CCC1CCCN1CCCO 34a_100000754278_100000230001 [1,0,0,1,0,0|1,0,1]=4 15265 B11R1.18 CCCCC1CCCC1NC 269862a_106832991636_100000750825 [1,0,0,1,0,0|2,0,0]=4 15266 B11R1.18 CCCCC1CCCC1NC 270004a_106832991635_100000750825 [1,0,0,1,0,0|2,0,0]=4 15267 B11R1.18 CCCCN1CCC[C@@H]1CO 2230a_100000745186_100000210211 [1,0,0,1,0,0|1,0,1]=4 15268 B11R1.18 CCCCN1CCC[C@@H]1CO 269982a_100000745186_100000210211 [1,0,0,1,0,0|1,0,1]=4 15269 B11R1.18 CCCCN1CCC[C@@H]1CO 34a_100000745186_100000210210 [1,0,0,1,0,0|1,0,1]=4 15270 B11R1.28 C=CCCNC1CCCCC1 2230a_100000182618_100000754431 [1,0,0,1,0,0|2,0,0]=4 15271 B11R1.28 C=CCCNC1CCCCC1 270004a_100015191253_100000210434 [1,0,0,1,0,0|2,0,0]=4 15272 B11R1.28 C=CCCNC1CCCCC1 34a_100000182618_100000754431 [1,0,0,1,0,0|2,0,0]=4 15273 B11R1.28 C=CCCOC1CCCCC1 34a_100000210231_100000754431 [1,0,0,1,0,0|2,0,0]=4 15274 B11R1.28 C=CCCOC1CCCCC1 34a_100011205117_100000210327 [1,0,0,1,0,0|2,0,0]=4 15275 B11R1.28 C=CCCOC1CCCCC1 7a_100000210231_100000754431 [1,0,0,1,0,0|2,0,0]=4 15276 B11R1.28 C=CCCSC1CCCCC1 62a_100000210327_100000754431 [1,0,0,1,0,0|2,0,0]=4 15277 B11R1.28 C=CCCSC1CCCCC1 62a_100000754431_100000210327 [1,0,0,1,0,0|2,0,0]=4 15278 B11R1.28 C=CCNCC1CCCCC1 2230a_100000210473_100000210623 [1,0,0,1,0,0|2,0,0]=4 15279 B11R1.28 C=CCNCC1CCCCC1 2230a_100020586998_100000211423 [1,0,0,1,0,0|2,0,0]=4 15280 B11R1.28 C=CCNCC1CCCCC1 34a_100000210473_100015514636 [1,0,0,1,0,0|2,0,0]=4 15281 B11R1.28 C=CCOCC1CCCCC1 34a_100000212181_100015514636 [1,0,0,1,0,0|2,0,0]=4 15282 B11R1.28 C=CCOCC1CCCCC1 34a_200000210373_100000211423 [1,0,0,1,0,0|2,0,0]=4 15283 B11R1.28 C=CCOCC1CCCCC1 7a_100000212181_100015514636 [1,0,0,1,0,0|2,0,0]=4 15284 B11R1.28 C=CCSCC1CCCCC1 62a_100000210623_100000211423 [1,0,0,1,0,0|2,0,0]=4 15285 B11R1.28 C=CCSCC1CCCCC1 62a_100000211423_100000210623 [1,0,0,1,0,0|2,0,0]=4 15286 B11R1.28 CCCCNC1C=CCCC1 2230a_100000102301_100000751183 [1,0,0,1,0,0|2,0,0]=4 15287 B11R1.28 CCCCNC1C=CCCC1 7a_106832991798_100000751183 [1,0,0,1,0,0|2,0,0]=4 15288 B11R1.28 CCCCOC1C=CCCC1 34a_100011215024_100000210210 [1,0,0,1,0,0|2,0,0]=4 15289 B11R1.28 CCCCOC1C=CCCC1 7a_100000210227_100000751183 [1,0,0,1,0,0|2,0,0]=4 15290 B11R1.28 CCCCOC1CCCCO1 34a_100000033831_100000210210 [1,0,0,1,0,0|1,0,1]=4 15291 B11R1.28 CCCCSC1C=CCCC1 62a_100000210211_100000751183 [1,0,0,1,0,0|2,0,0]=4 15292 B11R1.28 CCCCSC1C=CCCC1 62a_100000751183_100000210210 [1,0,0,1,0,0|2,0,0]=4 15293 B11R1.28 CCCNCC1CCCCO1 2230a_100000174945_100000210303 [1,0,0,1,0,0|1,0,1]=4 15294 B11R1.28 CCCNCC1CCCCO1 34a_100000174945_100000210303 [1,0,0,1,0,0|1,0,1]=4 15295 B11R1.28 CCCOCC1CCC=CO1 34a_100011217868_100000210303 [1,0,0,1,0,0|1,0,1]=4 15296 B11R1.28 CCCOCC1CCCCO1 34a_100000210258_100000211543 [1,0,0,1,0,0|1,0,1]=4 15297 B11R1.28 CCCOCC1CCCCO1 34a_100000211370_100000210303 [1,0,0,1,0,0|1,0,1]=4 15298 B11R1.28 CCCOCC1CCCCO1 7a_100000211370_100000210303 [1,0,0,1,0,0|1,0,1]=4 15299 B11R1.28 CCCSCC1CCCCO1 62a_100000210303_100000211543 [1,0,0,1,0,0|1,0,1]=4 15300 B11R1.28 CCCSCC1CCCCO1 62a_100000211543_100000210303 [1,0,0,1,0,0|1,0,1]=4 15301 B11R1.28 CCNCCC1CCCCO1 2230a_100015183643_100000210202 [1,0,0,1,0,0|1,0,1]=4 15302 B11R1.28 CCNCCC1CCCCO1 34a_100015183643_100000210202 [1,0,0,1,0,0|1,0,1]=4 15303 B11R1.28 CNCCCC1CCCCC1 2230a_100011211642_200000210301 [1,0,0,1,0,0|2,0,0]=4 15304 B11R1.28 CNCCCC1CCCCC1 2230a_106832991635_100011713725 [1,0,0,1,0,0|2,0,0]=4 15305 B11R1.28 CNCCCC1CCCCC1 34a_100011211642_200000210301 [1,0,0,1,0,0|2,0,0]=4 15306 B11R1.28 CNCCCC1CCCCC1 34a_100102657272_100011713725 [1,0,0,1,0,0|2,0,0]=4 15307 B11R1.28 CNCCCC1CCCCC1 7a_106832991635_100011713725 [1,0,0,1,0,0|2,0,0]=4 15308 B11R1.28 COCCCC1CCCCC1 34a_100000198086_200000210301 [1,0,0,1,0,0|2,0,0]=4 15309 B11R1.28 COCCCC1CCCCC1 34a_100138415774_100011713725 [1,0,0,1,0,0|2,0,0]=4 15310 B11R1.28 COCCCC1CCCCC1 7a_100000198086_200000210301 [1,0,0,1,0,0|2,0,0]=4 15311 B11R1.28 CSCCCC1CCCCC1 62a_100011713725_200000210301 [1,0,0,1,0,0|2,0,0]=4 15312 B11R1.28 CSCCCC1CCCCC1 62a_200000210301_100011713725 [1,0,0,1,0,0|2,0,0]=4 15313 B11R1.28 O=CCCCN1CCCOC1 2230a_100000131196_200011292268 [1,0,0,1,0,0|2,0,0]=4 15314 B11R1.28 O=CCCCN1CCCOC1 269982a_100000131196_200011292268 [1,0,0,1,0,0|2,0,0]=4 15315 B11R1.28 O=CCCCN1CCOCC1 2230a_100015191051_200011292268 [1,0,0,1,0,0|2,0,0]=4 15316 B11R1.28 O=CCCCN1CCOCC1 269982a_100015191051_200011292268 [1,0,0,1,0,0|2,0,0]=4 15317 B11R1.28 O=CCCCN1CCSCC1 2230a_100000737611_200011292268 [1,0,0,1,0,0|2,0,0]=4 15318 B11R1.28 O=CCCCN1CCSCC1 269982a_100000737611_200011292268 [1,0,0,1,0,0|2,0,0]=4 15319 B11R1.28 O=CCNCC1CCCCC1 2230a_100000210473_200015260668 [1,0,0,1,0,0|1,0,0]=3 15320 B11R1.28 O=CCNCC1CCCCC1 34a_100000210473_200009817547 [1,0,0,1,0,0|1,0,0]=3 15321 B11R1.28 O=CCNCC1CCCCO1 2230a_100000174945_200015260668 [1,0,0,1,0,0|2,0,0]=4 15322 B11R1.28 O=CCNCC1CCCCO1 34a_100000174945_200009817547 [1,0,0,1,0,0|2,0,0]=4 15323 B11R1.28 O=CCNCC1CCCOC1 2230a_100000720124_200015260668 [1,0,0,1,0,0|2,0,0]=4 15324 B11R1.28 O=CCNCC1CCCOC1 34a_100000720124_200009817547 [1,0,0,1,0,0|2,0,0]=4 15325 B11R1.28 O=CCNCC1CCOCC1 2230a_100000746373_200015260668 [1,0,0,1,0,0|2,0,0]=4 15326 B11R1.28 O=CCNCC1CCOCC1 34a_100000746373_200009817547 [1,0,0,1,0,0|2,0,0]=4 15327 B11R1.28 O=CCNCC1CCSCC1 2230a_100015188806_200015260668 [1,0,0,1,0,0|2,0,0]=4 15328 B11R1.28 O=CCNCC1CCSCC1 34a_100015188806_200009817547 [1,0,0,1,0,0|2,0,0]=4 15329 B11R1.28 O=CCOCC1CCCCC1 34a_100000212181_200009817547 [1,0,0,1,0,0|1,0,0]=3 15330 B11R1.28 O=CCOCC1CCCCC1 7a_100000212181_200015260668 [1,0,0,1,0,0|1,0,0]=3 15331 B11R1.28 O=CCOCC1CCCCN1 34a_100000210821_200009817547 [1,0,0,1,0,0|2,0,0]=4 15332 B11R1.28 O=CCOCC1CCCCO1 34a_100000211370_200009817547 [1,0,0,1,0,0|2,0,0]=4 15333 B11R1.28 O=CCOCC1CCCCO1 7a_100000211370_200015260668 [1,0,0,1,0,0|2,0,0]=4 15334 B11R1.28 O=CCOCC1CCCNC1 34a_100000211344_200009817547 [1,0,0,1,0,0|2,0,0]=4 15335 B11R1.28 O=CCOCC1CCCOC1 34a_100000741520_200009817547 [1,0,0,1,0,0|2,0,0]=4 15336 B11R1.28 O=CCOCC1CCNCC1 34a_100000738675_200009817547 [1,0,0,1,0,0|2,0,0]=4 15337 B11R1.28 O=CCOCC1CCOCC1 34a_100000749013_200009817547 [1,0,0,1,0,0|2,0,0]=4 15338 B11R1.28 O=CCOCC1CCSCC1 34a_100000070558_200009817547 [1,0,0,1,0,0|2,0,0]=4 15339 B11R1.28 O=CCOCC1CCSCC1 7a_100000070558_200015260668 [1,0,0,1,0,0|2,0,0]=4 15340 B11R1.28 O=CCSCC1CCCCC1 62a_100000211423_200015260668 [1,0,0,1,0,0|1,0,0]=3 15341 B11R1.28 O=CCSCC1CCCCC1 62a_200015260668_100000211423 [1,0,0,1,0,0|1,0,0]=3 15342 B11R1.28 O=CCSCC1CCCCO1 62a_100000211543_200015260668 [1,0,0,1,0,0|2,0,0]=4 15343 B11R1.28 O=CCSCC1CCCCO1 62a_200015260668_100000211543 [1,0,0,1,0,0|2,0,0]=4 15344 B11R1.28 O=CCSCC1CCCOC1 62a_100000741521_200015260668 [1,0,0,1,0,0|2,0,0]=4 15345 B11R1.28 O=CCSCC1CCCOC1 62a_200015260668_100000741521 [1,0,0,1,0,0|2,0,0]=4 15346 B11R1.28 O=CCSCC1CCOCC1 62a_100000754603_200015260668 [1,0,0,1,0,0|2,0,0]=4 15347 B11R1.28 O=CCSCC1CCOCC1 62a_200015260668_100000749018 [1,0,0,1,0,0|2,0,0]=4 15348 B11R1.28 OCCCNC1CCCCC1 2230a_100000182618_100000230001 [1,0,0,1,0,0|1,0,1]=4 15349 B11R1.28 OCCCNC1CCCCC1 270004a_100000182051_100000210434 [1,0,0,1,0,0|1,0,1]=4 15350 B11R1.28 OCCCNC1CCCCC1 34a_100000182618_100000230001 [1,0,0,1,0,0|1,0,1]=4 15351 B11R1.28 OCCCOC1CCCCC1 34a_100000210231_100000230001 [1,0,0,1,0,0|1,0,1]=4 15352 B11R1.28 OCCCOC1CCCCC1 7a_100000210231_100011215043 [1,0,0,1,0,0|1,0,1]=4 15353 B11R1.28 OCCCSC1CCCCC1 62a_100000210327_100011215043 [1,0,0,1,0,0|1,0,1]=4 15354 B11R1.28 OCCCSC1CCCCC1 62a_100011215043_100000210327 [1,0,0,1,0,0|1,0,1]=4 15355 B11R1.28 OCCNCC1CCCCC1 2230a_100000210473_100000211926 [1,0,0,1,0,0|1,0,1]=4 15356 B11R1.28 OCCNCC1CCCCC1 2230a_100016997473_100000211423 [1,0,0,1,0,0|1,0,1]=4 15357 B11R1.28 OCCNCC1CCCCC1 269862a_100000210304_100000211278 [1,0,0,1,0,0|1,0,1]=4 15358 B11R1.28 OCCNCC1CCCCC1 34a_100000210473_100000211926 [1,0,0,1,0,0|1,0,1]=4 15359 B11R1.28 OCCNCC1CCCCC1 34a_100016990907_100000211423 [1,0,0,1,0,0|1,0,1]=4 15360 B11R1.28 OCCOCC1CCCCC1 34a_100000212181_100000211926 [1,0,0,1,0,0|1,0,1]=4 15361 B11R1.28 OCCOCC1CCCCC1 7a_100000212181_100000211926 [1,0,0,1,0,0|1,0,1]=4 15362 B11R1.28 OCCSCC1CCCCC1 62a_100000211423_100000211926 [1,0,0,1,0,0|1,0,1]=4 15363 B11R1.28 OCCSCC1CCCCC1 62a_100000211926_100000211423 [1,0,0,1,0,0|1,0,1]=4 15364 B11R1.28 [13CH3]NCCCC1CCCCC1 2230a_100011211642_200025704644 [1,0,0,1,0,0|2,0,0]=4 15365 B11R1.28 [13CH3]NCCCC1CCCCC1 34a_100011211642_200025704644 [1,0,0,1,0,0|2,0,0]=4 15366 B11R1.28 [13CH3]OCCCC1CCCCC1 34a_100000198086_200025704644 [1,0,0,1,0,0|2,0,0]=4 15367 B11R1.28 [13CH3]OCCCC1CCCCC1 7a_100000198086_200025704644 [1,0,0,1,0,0|2,0,0]=4 15368 B11R1.28 [13CH3]SCCCC1CCCCC1 62a_100011713725_200025704644 [1,0,0,1,0,0|2,0,0]=4 15369 B11R1.28 [13CH3]SCCCC1CCCCC1 62a_200025704644_100011713725 [1,0,0,1,0,0|2,0,0]=4 15370 B11R1.41 C=CCC1CCCCC1NC 269862a_106832991636_100011214939 [1,0,0,1,0,0|2,0,0]=4 15371 B11R1.41 C=CCC1CCCCC1NC 270004a_106832991635_100011214939 [1,0,0,1,0,0|2,0,0]=4 15372 B11R1.41 C=CCN1CCCCC1CC 2230a_100000210034_100000210623 [1,0,0,1,0,0|2,0,0]=4 15373 B11R1.41 C=CCN1CCCCC1CC 269982a_100000210034_100000210623 [1,0,0,1,0,0|2,0,0]=4 15374 B11R1.41 C=CCN1CCCCC1CC 34a_100000210034_100015514636 [1,0,0,1,0,0|2,0,0]=4 15375 B11R1.41 CCC1CCCCN1CC=O 2230a_100000210034_200015260668 [1,0,0,1,0,0|1,0,0]=3 15376 B11R1.41 CCC1CCCCN1CC=O 269982a_100000210034_200015260668 [1,0,0,1,0,0|1,0,0]=3 15377 B11R1.41 CCC1CCCCN1CC=O 34a_100000210034_200009817547 [1,0,0,1,0,0|1,0,0]=3 15378 B11R1.41 CCC1CCCCN1CCO 2230a_100000210034_100000211926 [1,0,0,1,0,0|1,0,1]=4 15379 B11R1.41 CCC1CCCCN1CCO 269982a_100000210034_100000211926 [1,0,0,1,0,0|1,0,1]=4 15380 B11R1.41 CCC1CCCCN1CCO 34a_100000210034_100000211926 [1,0,0,1,0,0|1,0,1]=4 15381 B11R1.41 CCCC1CCCCC1NC 269862a_106832991636_100011218038 [1,0,0,1,0,0|2,0,0]=4 15382 B11R1.41 CCCC1CCCCC1NC 270004a_106832991635_100011218038 [1,0,0,1,0,0|2,0,0]=4 15383 B11R1.41 CCCC1CCCCC1OC 34a_100011217265_200000210301 [1,0,0,1,0,0|2,0,0]=4 15384 B11R1.41 CCCC1CCCCC1OC 7a_100011217265_200000210301 [1,0,0,1,0,0|2,0,0]=4 15385 B11R1.41 CCCC1CCCCC1O[13CH3] 34a_100011217265_200025704644 [1,0,0,1,0,0|2,0,0]=4 15386 B11R1.41 CCCC1CCCCC1O[13CH3] 7a_100011217265_200025704644 [1,0,0,1,0,0|2,0,0]=4 15387 B11R1.41 CCCN1CCCCC1CO 2230a_100000210821_100000210303 [1,0,0,1,0,0|1,0,1]=4 15388 B11R1.41 CCCN1CCCCC1CO 269982a_100000210821_100000210303 [1,0,0,1,0,0|1,0,1]=4 15389 B11R1.41 CCCN1CCCCC1CO 34a_100000210821_100000210303 [1,0,0,1,0,0|1,0,1]=4 15390 B11R1.41 CCN1CCCCC1CCO 2230a_100000211664_100000210202 [1,0,0,1,0,0|1,0,1]=4 15391 B11R1.41 CCN1CCCCC1CCO 269982a_100000211664_100000204670 [1,0,0,1,0,0|1,0,1]=4 15392 B11R1.41 CCN1CCCCC1CCO 34a_100000211664_100000210202 [1,0,0,1,0,0|1,0,1]=4 15393 B11R1.41 CCNC1CCCCC1CO 270004a_100015525214_100009861125 [1,0,0,1,0,0|1,0,1]=4 15394 B11R1.41 CC[C@H]1COCCN1CC=O 2230a_100016988097_200015260668 [1,0,0,1,0,0|2,0,0]=4 15395 B11R1.41 CC[C@H]1COCCN1CC=O 269982a_100016988097_200015260668 [1,0,0,1,0,0|2,0,0]=4 15396 B11R1.41 CC[C@H]1COCCN1CC=O 34a_100016988097_200009817547 [1,0,0,1,0,0|2,0,0]=4 15397 B11R1.41 O=CCN1CCCCC1CO 2230a_100000210821_200015260668 [1,0,0,1,0,0|2,0,0]=4 15398 B11R1.41 O=CCN1CCCCC1CO 269982a_100000210821_200015260668 [1,0,0,1,0,0|2,0,0]=4 15399 B11R1.41 O=CCN1CCCCC1CO 34a_100000210821_200009817547 [1,0,0,1,0,0|2,0,0]=4 15400 B11R1.47 C=CCCCCCN1CCC1 269982a_100000754969_100000700193 [1,0,0,1,0,0|2,0,0]=4 15401 B11R1.47 C=CCCCCNC1CCC1 2230a_100000749019_100011215482 [1,0,0,1,0,0|2,0,0]=4 15402 B11R1.47 C=CCCCCNC1CCC1 270004a_100000703577_100000241760 [1,0,0,1,0,0|2,0,0]=4 15403 B11R1.47 C=CCCCCNC1CCC1 34a_100000703577_100000749161 [1,0,0,1,0,0|2,0,0]=4 15404 B11R1.47 C=CCCCCNC1CCC1 34a_100000749019_100011215482 [1,0,0,1,0,0|2,0,0]=4 15405 B11R1.47 C=CCCCCOC1CCC1 34a_100000748187_100011215482 [1,0,0,1,0,0|2,0,0]=4 15406 B11R1.47 C=CCCCCOC1CCC1 34a_100000766645_100000749161 [1,0,0,1,0,0|2,0,0]=4 15407 B11R1.47 C=CCCCCSC1CCC1 62a_100011215482_100000749161 [1,0,0,1,0,0|2,0,0]=4 15408 B11R1.47 C=CCCCNCC1CCC1 2230a_100000700776_100000763275 [1,0,0,1,0,0|2,0,0]=4 15409 B11R1.47 C=CCCCNCC1CCC1 2230a_100000738700_100011713584 [1,0,0,1,0,0|2,0,0]=4 15410 B11R1.47 C=CCCCNCC1CCC1 269862a_100000700776_100000753134 [1,0,0,1,0,0|2,0,0]=4 15411 B11R1.47 C=CCCCNCC1CCC1 34a_100000700776_100000763275 [1,0,0,1,0,0|2,0,0]=4 15412 B11R1.47 C=CCCCNCC1CCC1 34a_100000738700_100000757094 [1,0,0,1,0,0|2,0,0]=4 15413 B11R1.47 C=CCCCOCC1CCC1 34a_100000758997_100000763275 [1,0,0,1,0,0|2,0,0]=4 15414 B11R1.47 C=CCCCOCC1CCC1 34a_100000760304_100000757094 [1,0,0,1,0,0|2,0,0]=4 15415 B11R1.47 C=CCCCOCC1CCC1 7a_100000758997_100000763275 [1,0,0,1,0,0|2,0,0]=4 15416 B11R1.47 C=CCCCSCC1CCC1 62a_100000763275_100000757094 [1,0,0,1,0,0|2,0,0]=4 15417 B11R1.47 C=CCCCSCC1CCC1 62a_100011713584_100000763275 [1,0,0,1,0,0|2,0,0]=4 15418 B11R1.47 CCCCCNCC1CCO1 2230a_100000209983_100000103362 [1,0,0,1,0,0|1,0,1]=4 15419 B11R1.47 CCCCCNC[C@@H]1CCO1 2230a_100020831831_100000210326 [1,0,0,1,0,0|1,0,1]=4 15420 B11R1.47 CCCCCNC[C@@H]1CCO1 34a_100020831831_100000718602 [1,0,0,1,0,0|1,0,1]=4 15421 B11R1.47 CCCCCOCC1CCO1 34a_100000039022_100000718602 [1,0,0,1,0,0|1,0,1]=4 15422 B11R1.47 CCCCCOCC1CCO1 34a_100000210253_100000103362 [1,0,0,1,0,0|1,0,1]=4 15423 B11R1.47 CCCCCOCC1CCO1 7a_100000210253_100000103362 [1,0,0,1,0,0|1,0,1]=4 15424 B11R1.47 CCCCCSCC1CCO1 62a_100000103362_100000210326 [1,0,0,1,0,0|1,0,1]=4 15425 B11R1.47 CCCCCSCC1CCO1 62a_100000210326_100000103362 [1,0,0,1,0,0|1,0,1]=4 15426 B11R1.47 O=CCCCCCN1CCC1 269982a_100000754969_100000139337 [1,0,0,1,0,0|1,0,0]=3 15427 B11R1.47 O=CCCCCNC1CCC1 2230a_100000749019_100000139335 [1,0,0,1,0,0|1,0,0]=3 15428 B11R1.47 O=CCCCCNC1COC1 2230a_100016991112_100000139335 [1,0,0,1,0,0|2,0,0]=4 15429 B11R1.47 O=CCCCCOC1CSC1 7a_100000072292_100000139335 [1,0,0,1,0,0|2,0,0]=4 15430 B11R1.47 O=CCCCCSC1CCC1 62a_100000139335_100000749161 [1,0,0,1,0,0|1,0,0]=3 15431 B11R1.47 O=CCCCCSC1COC1 62a_100000139335_100009818527 [1,0,0,1,0,0|2,0,0]=4 15432 B11R1.47 O=CCCCNCC1CCC1 2230a_100000738700_200011292268 [1,0,0,1,0,0|1,0,0]=3 15433 B11R1.47 O=CCCCNCC1COC1 2230a_100015281925_200011292268 [1,0,0,1,0,0|2,0,0]=4 15434 B11R1.47 O=CCCCNC[C@@H]1CCO1 2230a_100020831831_200011292268 [1,0,0,1,0,0|2,0,0]=4 15435 B11R1.47 O=CCCCSCC1CCC1 62a_100000763275_200011292268 [1,0,0,1,0,0|1,0,0]=3 15436 B11R1.47 O=CCCCSCC1CCC1 62a_200011292268_100000763275 [1,0,0,1,0,0|1,0,0]=3 15437 B11R1.47 O=CCCCSCC1CCO1 62a_100000103362_200011292268 [1,0,0,1,0,0|2,0,0]=4 15438 B11R1.47 O=CCCCSCC1CCO1 62a_200011292268_100000103362 [1,0,0,1,0,0|2,0,0]=4 15439 B11R1.47 O=CCCCSCC1COC1 62a_100010264016_200011292268 [1,0,0,1,0,0|2,0,0]=4 15440 B11R1.47 O=CCCCSCC1COC1 62a_200011292268_100010264016 [1,0,0,1,0,0|2,0,0]=4 15441 B11R1.47 OCCCCCCN1CCC1 269982a_100000754969_100000766143 [1,0,0,1,0,0|1,0,1]=4 15442 B11R1.47 OCCCCCNC1CCC1 2230a_100000749019_100000746330 [1,0,0,1,0,0|1,0,1]=4 15443 B11R1.47 OCCCCCNC1CCC1 270004a_100000762737_100000241760 [1,0,0,1,0,0|1,0,1]=4 15444 B11R1.47 OCCCCCNC1CCC1 34a_100000749019_100000746330 [1,0,0,1,0,0|1,0,1]=4 15445 B11R1.47 OCCCCCNC1CCC1 34a_100000762737_100000749161 [1,0,0,1,0,0|1,0,1]=4 15446 B11R1.47 OCCCCCOC1CCC1 34a_100000748187_100000746330 [1,0,0,1,0,0|1,0,1]=4 15447 B11R1.47 OCCCCCSC1CCC1 62a_100000746330_100000749161 [1,0,0,1,0,0|1,0,1]=4 15448 B11R1.47 OCCCCNCC1CCC1 2230a_100000738700_100000210776 [1,0,0,1,0,0|1,0,1]=4 15449 B11R1.47 OCCCCNCC1CCC1 2230a_100000750430_100000763275 [1,0,0,1,0,0|1,0,1]=4 15450 B11R1.47 OCCCCNCC1CCC1 269862a_100000750430_100000753134 [1,0,0,1,0,0|1,0,1]=4 15451 B11R1.47 OCCCCNCC1CCC1 34a_100000738700_100011216708 [1,0,0,1,0,0|1,0,1]=4 15452 B11R1.47 OCCCCNCC1CCC1 34a_100000750430_100000763275 [1,0,0,1,0,0|1,0,1]=4 15453 B11R1.47 OCCCCOCC1CCC1 34a_100000760304_100011216708 [1,0,0,1,0,0|1,0,1]=4 15454 B11R1.47 OCCCCSCC1CCC1 62a_100000210776_100000763275 [1,0,0,1,0,0|1,0,1]=4 15455 B11R1.47 OCCCCSCC1CCC1 62a_100000763275_100000210776 [1,0,0,1,0,0|1,0,1]=4 15456 B11R1.109 COC[C@@H]1CCCN1CC=O 2230a_100020646714_200015260668 [1,0,0,1,0,0|2,0,0]=4 15457 B11R1.109 COC[C@@H]1CCCN1CC=O 269982a_100020646714_200015260668 [1,0,0,1,0,0|2,0,0]=4 15458 B11R1.109 COC[C@@H]1CCCN1CC=O 34a_100020646714_200009817547 [1,0,0,1,0,0|2,0,0]=4 15459 B11R1.117 C=CCN1CCCCCCC1 2230a_100000211400_100000210623 [1,0,0,1,0,0|2,0,0]=4 15460 B11R1.117 C=CCN1CCCCCCC1 269982a_100000211400_100000210623 [1,0,0,1,0,0|2,0,0]=4 15461 B11R1.117 C=CCN1CCCCCCC1 34a_100000211400_100015514636 [1,0,0,1,0,0|2,0,0]=4 15462 B11R1.117 CCOC1C=CCCCCC1 34a_100000688657_100000210202 [1,0,0,1,0,0|2,0,0]=4 15463 B11R1.117 COCC1CCCCCCC1 34a_100011216312_200000210301 [1,0,0,1,0,0|2,0,0]=4 15464 B11R1.117 COCC1CCCCCCC1 7a_100011216312_200000210301 [1,0,0,1,0,0|2,0,0]=4 15465 B11R1.117 O=CCN1CCCCCCC1 2230a_100000211400_200015260668 [1,0,0,1,0,0|1,0,0]=3 15466 B11R1.117 O=CCN1CCCCCCC1 269982a_100000211400_200015260668 [1,0,0,1,0,0|1,0,0]=3 15467 B11R1.117 O=CCN1CCCCCCC1 34a_100000211400_200009817547 [1,0,0,1,0,0|1,0,0]=3 15468 B11R1.117 OCCN1CCCCCCC1 2230a_100000211400_100000211926 [1,0,0,1,0,0|1,0,1]=4 15469 B11R1.117 OCCN1CCCCCCC1 269982a_100000211400_100000211926 [1,0,0,1,0,0|1,0,1]=4 15470 B11R1.117 OCCN1CCCCCCC1 34a_100000211400_100000211926 [1,0,0,1,0,0|1,0,1]=4 15471 B11R1.117 [13CH3]OCC1CCCCCCC1 34a_100011216312_200025704644 [1,0,0,1,0,0|2,0,0]=4 15472 B11R1.117 [13CH3]OCC1CCCCCCC1 7a_100011216312_200025704644 [1,0,0,1,0,0|2,0,0]=4 15473 B11R1.180 C=CCCCN1CCC[C@@H]1C 2230a_100020605311_100011713584 [1,0,0,1,0,0|2,0,0]=4 15474 B11R1.180 C=CCCCN1CCC[C@@H]1C 269982a_100020605311_100000757094 [1,0,0,1,0,0|2,0,0]=4 15475 B11R1.180 C=CCCCN1CCC[C@H]1C 2230a_100015189458_100011713584 [1,0,0,1,0,0|2,0,0]=4 15476 B11R1.180 C=CCCCN1CCC[C@H]1C 269982a_100015189458_100000757094 [1,0,0,1,0,0|2,0,0]=4 15477 B11R1.180 C=CCCCN1CCC[C@H]1C 34a_100015189458_100000757094 [1,0,0,1,0,0|2,0,0]=4 15478 B11R1.180 C=CCCNC1CCCC1C 269862a_100015191253_100000752053 [1,0,0,1,0,0|2,0,0]=4 15479 B11R1.180 C=CCCOC1CCCC1C 34a_100011216460_100000754431 [1,0,0,1,0,0|2,0,0]=4 15480 B11R1.180 C=CCCOC1CCCC1C 7a_100011216460_100000754431 [1,0,0,1,0,0|2,0,0]=4 15481 B11R1.180 CC1CCCC1NCCCO 269862a_100000182051_100000752053 [1,0,0,1,0,0|1,0,1]=4 15482 B11R1.180 CC1CCCC1OCCCO 34a_100011216460_100000230001 [1,0,0,1,0,0|1,0,1]=4 15483 B11R1.180 CC1CCCC1OCCCO 7a_100011216460_100011215043 [1,0,0,1,0,0|1,0,1]=4 15484 B11R1.180 CC1SCCN1CCCC=O 2230a_200011216479_200011292268 [1,0,0,1,0,0|2,0,0]=4 15485 B11R1.180 CC1SCCN1CCCC=O 269982a_200011216479_200011292268 [1,0,0,1,0,0|2,0,0]=4 15486 B11R1.180 CCCCNC1CCCC1=O 2230a_100000102301_100000211823 [1,0,0,1,0,0|1,0,0]=3 15487 B11R1.180 CCCCNC1CCCC1=O 7a_106832991798_100000211823 [1,0,0,1,0,0|1,0,0]=3 15488 B11R1.180 CCCCNC1CCNC1=O 2230a_100016995588_100000210211 [1,0,0,1,0,0|2,0,0]=4 15489 B11R1.180 CCCCNC1CCNC1=O 34a_100016995588_100000210210 [1,0,0,1,0,0|2,0,0]=4 15490 B11R1.180 CCCCNC1CCOC1=O 2230a_100000102301_100000211211 [1,0,0,1,0,0|2,0,0]=4 15491 B11R1.180 CCCCNC1CCOC1=O 7a_106832991798_100000211211 [1,0,0,1,0,0|2,0,0]=4 15492 B11R1.180 CCCCOC1CCCC1=O 34a_100000210227_100000709159 [1,0,0,1,0,0|1,0,0]=3 15493 B11R1.180 CCCCOC1CCCC1=O 34a_200000719330_100000210210 [1,0,0,1,0,0|1,0,0]=3 15494 B11R1.180 CCCCOC1CCCC1=O 7a_100000210227_100000211823 [1,0,0,1,0,0|1,0,0]=3 15495 B11R1.180 CCCCOC1CCOC1=O 34a_100000210227_100000211211 [1,0,0,1,0,0|2,0,0]=4 15496 B11R1.180 CCCCOC1CCOC1=O 7a_100000210227_100000211211 [1,0,0,1,0,0|2,0,0]=4 15497 B11R1.180 CCCCO[C@H]1CCNC1=O 34a_100000688343_100000210210 [1,0,0,1,0,0|2,0,0]=4 15498 B11R1.180 CCCCSC1CCCC1=O 62a_100000210211_100000211823 [1,0,0,1,0,0|1,0,0]=3 15499 B11R1.180 CCCCSC1CCCC1=O 62a_100000211823_100000210210 [1,0,0,1,0,0|1,0,0]=3 15500 B11R1.180 CCCCSC1CCOC1=O 62a_100000210211_100000211211 [1,0,0,1,0,0|2,0,0]=4 15501 B11R1.180 CCCCSC1CCOC1=O 62a_100000211211_100000210210 [1,0,0,1,0,0|2,0,0]=4 15502 B11R1.180 CCCCS[C@@H]1CCC[C@H]1O 62a_100000210211_200016002552 [1,0,0,1,0,0|1,0,1]=4 15503 B11R1.180 CCCCS[C@@H]1CCC[C@H]1O 62a_200016002552_100000210210 [1,0,0,1,0,0|1,0,1]=4 15504 B11R1.180 CCCOCC1CCNC1=O 34a_100000133458_100000210303 [1,0,0,1,0,0|2,0,0]=4 15505 B11R1.180 CCCSCN1CCCC1=O 62a_100000026320_100000210303 [1,0,0,1,0,0|2,0,0]=4 15506 B11R1.180 CCCSCN1CCCC1=O 62a_100000210303_100000026320 [1,0,0,1,0,0|2,0,0]=4 15507 B11R1.180 CCNCCN1CCCC1=O 2230a_100011200922_100000210202 [1,0,0,1,0,0|2,0,0]=4 15508 B11R1.180 CCNCCN1CCCC1=O 2230a_100015525214_100000739059 [1,0,0,1,0,0|2,0,0]=4 15509 B11R1.180 CCOCCN1CCCC1=O 34a_100000211209_100000210202 [1,0,0,1,0,0|2,0,0]=4 15510 B11R1.180 CCOCCN1CCCC1=O 34a_100121572206_100000739059 [1,0,0,1,0,0|2,0,0]=4 15511 B11R1.180 CCOCCN1CCCC1=O 7a_100000211209_100000210202 [1,0,0,1,0,0|2,0,0]=4 15512 B11R1.180 CCOCSC1CCCC1=O 62a_100000211823_100000739092 [1,0,0,1,0,0|2,0,0]=4 15513 B11R1.180 CCOCSC1CCCC1=O 62a_100000739092_100000211823 [1,0,0,1,0,0|2,0,0]=4 15514 B11R1.180 CCSCCN1CCCC1=O 62a_100000210202_100000739059 [1,0,0,1,0,0|2,0,0]=4 15515 B11R1.180 CCSCCN1CCCC1=O 62a_100000739059_100000210202 [1,0,0,1,0,0|2,0,0]=4 15516 B11R1.180 CN1CCCC1COCC=O 34a_100000743107_200009817547 [1,0,0,1,0,0|2,0,0]=4 15517 B11R1.180 CNCCCN1CCCC1=O 2230a_100000210347_200000210301 [1,0,0,1,0,0|2,0,0]=4 15518 B11R1.180 CNCCCN1CCCC1=O 34a_100000210347_200000210301 [1,0,0,1,0,0|2,0,0]=4 15519 B11R1.180 COCCCN1CCCC1=O 34a_100011216539_200000210301 [1,0,0,1,0,0|2,0,0]=4 15520 B11R1.180 COCCCN1CCCC1=O 7a_100011216539_200000210301 [1,0,0,1,0,0|2,0,0]=4 15521 B11R1.180 COCCNC1CCCC1=O 2230a_100000209980_100000211823 [1,0,0,1,0,0|2,0,0]=4 15522 B11R1.180 COCCOC1CCCC1=O 34a_100000210237_100000709159 [1,0,0,1,0,0|2,0,0]=4 15523 B11R1.180 COCCOC1CCCC1=O 34a_200000719330_100011201679 [1,0,0,1,0,0|2,0,0]=4 15524 B11R1.180 COCCSC1CCCC1=O 62a_100000211823_100000233755 [1,0,0,1,0,0|2,0,0]=4 15525 B11R1.180 COCCSC1CCCC1=O 62a_100000233755_100000211823 [1,0,0,1,0,0|2,0,0]=4 15526 B11R1.180 CSCCNC1CCCC1=O 2230a_100020590264_100000211823 [1,0,0,1,0,0|2,0,0]=4 15527 B11R1.180 CSCCOC1CCCC1=O 34a_100000230434_100000709159 [1,0,0,1,0,0|2,0,0]=4 15528 B11R1.180 CSCCOC1CCCC1=O 34a_200000719330_100000212216 [1,0,0,1,0,0|2,0,0]=4 15529 B11R1.180 CSCCOC1CCCC1=O 7a_100000230434_100000211823 [1,0,0,1,0,0|2,0,0]=4 15530 B11R1.180 CSCCSC1CCCC1=O 62a_100000211823_100000751147 [1,0,0,1,0,0|2,0,0]=4 15531 B11R1.180 CSCCSC1CCCC1=O 62a_100000212216_100000211823 [1,0,0,1,0,0|2,0,0]=4 15532 B11R1.180 C[C@@H]1CCCN1CCCC=O 2230a_100015189458_200011292268 [1,0,0,1,0,0|1,0,0]=3 15533 B11R1.180 C[C@@H]1CCCN1CCCC=O 269982a_100015189458_200011292268 [1,0,0,1,0,0|1,0,0]=3 15534 B11R1.180 C[C@@H]1CCCN1CCCCO 2230a_100015189458_100000210776 [1,0,0,1,0,0|1,0,1]=4 15535 B11R1.180 C[C@@H]1CCCN1CCCCO 269982a_100015189458_100000210776 [1,0,0,1,0,0|1,0,1]=4 15536 B11R1.180 C[C@@H]1CCCN1CCCCO 34a_100015189458_100011216708 [1,0,0,1,0,0|1,0,1]=4 15537 B11R1.180 C[C@H]1CCCN1CCCC=O 2230a_100020605311_200011292268 [1,0,0,1,0,0|1,0,0]=3 15538 B11R1.180 C[C@H]1CCCN1CCCC=O 269982a_100020605311_200011292268 [1,0,0,1,0,0|1,0,0]=3 15539 B11R1.180 C[C@H]1CCCN1CCCCO 2230a_100020605311_100000210776 [1,0,0,1,0,0|1,0,1]=4 15540 B11R1.180 C[C@H]1CCCN1CCCCO 269982a_100020605311_100000210776 [1,0,0,1,0,0|1,0,1]=4 15541 B11R1.180 NCCCOC1CCCC1=O 34a_100000182051_100000709159 [1,0,0,1,0,0|2,0,0]=4 15542 B11R1.180 O=C1CCCC1NCCCF 2230a_100015189416_100000211823 [1,0,0,1,0,0|2,0,0]=4 15543 B11R1.180 O=C1CCCC1NCCCF 34a_100015189416_100000709159 [1,0,0,1,0,0|2,0,0]=4 15544 B11R1.180 O=C1CCCC1OCCCBr 34a_100011217188_100000709159 [1,0,0,1,0,0|2,0,0]=4 15545 B11R1.180 O=C1CCCC1OCCCCl 34a_100000230001_100000709159 [1,0,0,1,0,0|2,0,0]=4 15546 B11R1.180 O=C1CCCC1OCCCF 34a_100000759539_100000709159 [1,0,0,1,0,0|2,0,0]=4 15547 B11R1.180 O=C1CCCC1OCCCF 34a_200000719330_100011934791 [1,0,0,1,0,0|2,0,0]=4 15548 B11R1.180 O=C1CCCC1OCCCO 34a_200000719330_100000230001 [1,0,0,1,0,0|2,0,0]=4 15549 B11R1.180 O=C1CCCC1SCCCF 62a_100000211823_100011934791 [1,0,0,1,0,0|2,0,0]=4 15550 B11R1.180 O=C1CCCC1SCCCF 62a_100011934791_100000211823 [1,0,0,1,0,0|2,0,0]=4 15551 B11R1.180 O=C1CCCC1SCCCO 62a_100000211823_100011215043 [1,0,0,1,0,0|2,0,0]=4 15552 B11R1.180 O=C1CCCC1SCCCO 62a_100011215043_100000211823 [1,0,0,1,0,0|2,0,0]=4 15553 B11R1.180 [13CH3]NCCCN1CCCC1=O 2230a_100000210347_200025704644 [1,0,0,1,0,0|2,0,0]=4 15554 B11R1.180 [13CH3]NCCCN1CCCC1=O 34a_100000210347_200025704644 [1,0,0,1,0,0|2,0,0]=4 15555 B11R1.180 [13CH3]OCCCN1CCCC1=O 34a_100011216539_200025704644 [1,0,0,1,0,0|2,0,0]=4 15556 B11R1.180 [13CH3]OCCCN1CCCC1=O 7a_100011216539_200025704644 [1,0,0,1,0,0|2,0,0]=4 15557 B11R1.190 C=CCCCCN1CCC1C 269982a_100000755817_100011215482 [1,0,0,1,0,0|2,0,0]=4 15558 B11R1.190 C=CCCCCN1CCC1C 34a_100000755817_100011215482 [1,0,0,1,0,0|2,0,0]=4 15559 B11R1.190 CC1CCN1CCCCC=O 269982a_100000755817_100000139335 [1,0,0,1,0,0|1,0,0]=3 15560 B11R1.190 CC1CCN1CCCCCO 269982a_100000755817_100000746330 [1,0,0,1,0,0|1,0,1]=4 15561 B11R1.190 CC1CCN1CCCCCO 34a_100000755817_100000746330 [1,0,0,1,0,0|1,0,1]=4 15562 B11R1.190 CCCCCOC1CCC1=O 34a_100000210253_100009892977 [1,0,0,1,0,0|1,0,0]=3 15563 B11R1.190 CCCCCOC1CCC1=O 7a_100000210253_100009892977 [1,0,0,1,0,0|1,0,0]=3 15564 B11R1.190 CCCCCSC1CCC1=O 62a_100000210326_100009892977 [1,0,0,1,0,0|1,0,0]=3 15565 B11R1.190 CCCCCSC1CCC1=O 62a_100009892977_100000210326 [1,0,0,1,0,0|1,0,0]=3 15566 B11R1.190 CCCSCCC1CCC1=O 62a_100000210303_200016118888 [1,0,0,1,0,0|1,0,0]=3 15567 B11R1.190 CCCSCCC1CCC1=O 62a_200016118888_100000210303 [1,0,0,1,0,0|1,0,0]=3 15568 B11R1.190 CCOCCNC1CCC1=O 34a_102516460346_100009892977 [1,0,0,1,0,0|2,0,0]=4 15569 B11R1.190 CCOCCOC1CCC1=O 34a_100000210136_100009892977 [1,0,0,1,0,0|2,0,0]=4 15570 B11R1.190 CCOCCOC1CCC1=O 7a_100000210136_100009892977 [1,0,0,1,0,0|2,0,0]=4 15571 B11R1.190 CCOCCSC1CCC1=O 62a_100000210147_100009892977 [1,0,0,1,0,0|2,0,0]=4 15572 B11R1.190 CCOCCSC1CCC1=O 62a_100009892977_100011215890 [1,0,0,1,0,0|2,0,0]=4 15573 B11R1.190 CCSCCOC1CCC1=O 34a_100000212035_100009892977 [1,0,0,1,0,0|2,0,0]=4 15574 B11R1.190 CCSCCOC1CCC1=O 7a_100000212035_100009892977 [1,0,0,1,0,0|2,0,0]=4 15575 B11R1.190 CCSCCSC1CCC1=O 62a_100000757381_100009892977 [1,0,0,1,0,0|2,0,0]=4 15576 B11R1.190 CCSCCSC1CCC1=O 62a_100009892977_100000757381 [1,0,0,1,0,0|2,0,0]=4 15577 B11R1.190 CNCCCOC1CCC1=O 34a_100000213112_100009892977 [1,0,0,1,0,0|2,0,0]=4 15578 B11R1.190 COCCCNC1CCC1=O 34a_100150723488_100009892977 [1,0,0,1,0,0|2,0,0]=4 15579 B11R1.190 COCCCOC1CCC1=O 34a_100000740835_100009892977 [1,0,0,1,0,0|2,0,0]=4 15580 B11R1.190 COCCCSC1CCC1=O 62a_100000709357_100009892977 [1,0,0,1,0,0|2,0,0]=4 15581 B11R1.190 COCCCSC1CCC1=O 62a_100009892977_100000709357 [1,0,0,1,0,0|2,0,0]=4 15582 B11R1.190 COCSCCC1CCC1=O 62a_100000766300_200016118888 [1,0,0,1,0,0|2,0,0]=4 15583 B11R1.190 COCSCCC1CCC1=O 62a_200016118888_100000766300 [1,0,0,1,0,0|2,0,0]=4 15584 B11R1.190 CSCCCOC1CCC1=O 34a_100000690336_100009892977 [1,0,0,1,0,0|2,0,0]=4 15585 B11R1.190 CSCCCOC1CCC1=O 7a_100000690336_100009892977 [1,0,0,1,0,0|2,0,0]=4 15586 B11R1.190 CSCSCCC1CCC1=O 62a_100011218213_200016118888 [1,0,0,1,0,0|2,0,0]=4 15587 B11R1.190 CSCSCCC1CCC1=O 62a_200016118888_100011218213 [1,0,0,1,0,0|2,0,0]=4 15588 B11R1.190 NCCCCOC1CCC1=O 34a_100000750430_100009892977 [1,0,0,1,0,0|2,0,0]=4 15589 B11R1.190 O=C1CCC1CCNCCO 2230a_100016997473_200016118888 [1,0,0,1,0,0|2,0,0]=4 15590 B11R1.190 O=C1CCC1CCSCCF 62a_100011217306_200016118888 [1,0,0,1,0,0|2,0,0]=4 15591 B11R1.190 O=C1CCC1CCSCCF 62a_200016118888_100011217306 [1,0,0,1,0,0|2,0,0]=4 15592 B11R1.190 O=C1CCC1CCSCCO 62a_100000211926_200016118888 [1,0,0,1,0,0|2,0,0]=4 15593 B11R1.190 O=C1CCC1CCSCCO 62a_200016118888_100000211926 [1,0,0,1,0,0|2,0,0]=4 15594 B11R1.190 O=C1CCC1NCCCCO 34a_100000750430_100009892977 [1,0,0,1,0,0|2,0,0]=4 15595 B11R1.190 O=C1CCC1OCCCCBr 34a_100011216708_100009892977 [1,0,0,1,0,0|2,0,0]=4 15596 B11R1.190 O=C1CCC1OCCCCCl 34a_100000210776_100009892977 [1,0,0,1,0,0|2,0,0]=4 15597 B11R1.190 O=C1CCC1OCCCCCl 7a_100000210776_100009892977 [1,0,0,1,0,0|2,0,0]=4 15598 B11R1.190 O=C1CCC1OCCCCF 34a_100011995726_100009892977 [1,0,0,1,0,0|2,0,0]=4 15599 B11R1.190 O=C1CCC1OCCCCF 7a_100011995726_100009892977 [1,0,0,1,0,0|2,0,0]=4 15600 B11R1.190 O=C1CCC1OCCCCI 34a_200012148704_100009892977 [1,0,0,1,0,0|2,0,0]=4 15601 B11R1.190 O=C1CCC1SCCCCF 62a_100000729493_100009892977 [1,0,0,1,0,0|2,0,0]=4 15602 B11R1.190 O=C1CCC1SCCCCF 62a_100009892977_100000729493 [1,0,0,1,0,0|2,0,0]=4 15603 B11R1.190 O=C1CCC1SCCCCO 62a_100000210776_100009892977 [1,0,0,1,0,0|2,0,0]=4 15604 B11R1.190 O=C1CCC1SCCCCO 62a_100009892977_100000210776 [1,0,0,1,0,0|2,0,0]=4 15605 B11R1.203 C=CCCN1CCCCCC1 2230a_100000185865_100000754431 [1,0,0,1,0,0|2,0,0]=4 15606 B11R1.203 C=CCCN1CCCCCC1 269982a_100000185865_100000754431 [1,0,0,1,0,0|2,0,0]=4 15607 B11R1.203 C=CCCN1CCCCCC1 34a_100000185865_100000754431 [1,0,0,1,0,0|2,0,0]=4 15608 B11R1.203 C=CCNC1CCCCCC1 2230a_100000210984_100000210623 [1,0,0,1,0,0|2,0,0]=4 15609 B11R1.203 C=CCNC1CCCCCC1 270004a_100020586998_100000210131 [1,0,0,1,0,0|2,0,0]=4 15610 B11R1.203 C=CCNC1CCCCCC1 34a_100000210984_100015514636 [1,0,0,1,0,0|2,0,0]=4 15611 B11R1.203 C=CCOC1CCCCCC1 34a_100000210887_100015514636 [1,0,0,1,0,0|2,0,0]=4 15612 B11R1.203 C=CCOC1CCCCCC1 34a_200000210373_100011217769 [1,0,0,1,0,0|2,0,0]=4 15613 B11R1.203 C=CCOC1CCCCCC1 7a_100000210887_100015514636 [1,0,0,1,0,0|2,0,0]=4 15614 B11R1.203 C=CCSC1CCCCCC1 62a_100000210623_100011217769 [1,0,0,1,0,0|2,0,0]=4 15615 B11R1.203 C=CCSC1CCCCCC1 62a_100011217769_100000210623 [1,0,0,1,0,0|2,0,0]=4 15616 B11R1.203 CNCCC1CCCCCC1 2230a_100011532351_200000210301 [1,0,0,1,0,0|2,0,0]=4 15617 B11R1.203 CNCCC1CCCCCC1 34a_100011532351_200000210301 [1,0,0,1,0,0|2,0,0]=4 15618 B11R1.203 O=CCNC1CCCCCC1 2230a_100000210984_200015260668 [1,0,0,1,0,0|1,0,0]=3 15619 B11R1.203 O=CCNC1CCCCCC1 34a_100000210984_200009817547 [1,0,0,1,0,0|1,0,0]=3 15620 B11R1.203 O=CCOC1CCCCCC1 34a_100000210887_200009817547 [1,0,0,1,0,0|1,0,0]=3 15621 B11R1.203 O=CCOC1CCCCCC1 7a_100000210887_200015260668 [1,0,0,1,0,0|1,0,0]=3 15622 B11R1.203 O=CCSC1CCCCCC1 62a_100011217769_200015260668 [1,0,0,1,0,0|1,0,0]=3 15623 B11R1.203 O=CCSC1CCCCCC1 62a_200015260668_100011217769 [1,0,0,1,0,0|1,0,0]=3 15624 B11R1.203 OCCCN1CCCCCC1 2230a_100000185865_100000230001 [1,0,0,1,0,0|1,0,1]=4 15625 B11R1.203 OCCCN1CCCCCC1 269982a_100000185865_100011215043 [1,0,0,1,0,0|1,0,1]=4 15626 B11R1.203 OCCCN1CCCCCC1 34a_100000185865_100000230001 [1,0,0,1,0,0|1,0,1]=4 15627 B11R1.203 OCCNC1CCCCCC1 2230a_100000210984_100000211926 [1,0,0,1,0,0|1,0,1]=4 15628 B11R1.203 OCCNC1CCCCCC1 270004a_100000210304_100000210131 [1,0,0,1,0,0|1,0,1]=4 15629 B11R1.203 OCCNC1CCCCCC1 34a_100000210984_100000211926 [1,0,0,1,0,0|1,0,1]=4 15630 B11R1.203 OCCNC1CCCCCC1 34a_100016990907_100011217769 [1,0,0,1,0,0|1,0,1]=4 15631 B11R1.203 OCCOC1CCCCCC1 34a_100000210887_100000211926 [1,0,0,1,0,0|1,0,1]=4 15632 B11R1.203 OCCOC1CCCCCC1 7a_100000210887_100000211926 [1,0,0,1,0,0|1,0,1]=4 15633 B11R1.203 OCCSC1CCCCCC1 62a_100000211926_100011217769 [1,0,0,1,0,0|1,0,1]=4 15634 B11R1.203 OCCSC1CCCCCC1 62a_100011217769_100000211926 [1,0,0,1,0,0|1,0,1]=4 15635 B11R1.203 [13CH3]NCCC1CCCCCC1 2230a_100011532351_200025704644 [1,0,0,1,0,0|2,0,0]=4 15636 B11R1.203 [13CH3]NCCC1CCCCCC1 34a_100011532351_200025704644 [1,0,0,1,0,0|2,0,0]=4 15637 B11R1.248 CNC1CCCCCCCC1 270004a_106832991635_100000038600 [1,0,0,1,0,0|2,0,0]=4 15638 B13R1.27 CCCCCCCN1CCC(C1)O 2230a_100011215560_100000210681 [0,1,0,1,0,0|1,0,1]=4 15639 B13R1.27 CCCCCCCN1CCC(C1)O 269982a_100011215560_100000210681 [0,1,0,1,0,0|1,0,1]=4 15640 B13R1.27 CCCCCCCN1CNC(=O)C1 2230a_200000708111_100000210681 [0,1,0,1,0,0|2,0,0]=4 15641 B13R1.27 CCCCCCNC1CCC(C1)O 270004a_100000210581_100012614533 [0,1,0,1,0,0|1,0,1]=4 15642 B13R1.27 CCCCCCNC1CNC(=O)C1 2230a_100000697751_100000210314 [0,1,0,1,0,0|2,0,0]=4 15643 B13R1.27 CCCCCCN[C@H]1CC[C@H](C1)O 2230a_100015195300_100000210314 [0,1,0,1,0,0|1,0,1]=4 15644 B13R1.27 CCCCCCOC1CCC(=O)C1 34a_100012614533_100000210314 [0,1,0,1,0,0|1,0,0]=3 15645 B13R1.27 CCCCCCOC1CNC(=O)C1 34a_100000690082_100000210314 [0,1,0,1,0,0|2,0,0]=4 15646 B13R1.27 CCCCCCOC1COC(=O)O1 34a_100000210259_100000032252 [0,1,0,1,0,0|1,0,0]=3 15647 B13R1.27 CCCCCCSC1COC(=O)O1 62a_100000210314_100000032252 [0,1,0,1,0,0|1,0,0]=3 15648 B13R1.27 CCCCCNCC1CNC(=O)C1 2230a_100016993742_100000210326 [0,1,0,1,0,0|2,0,0]=4 15649 B13R1.27 CCCCCNCC1CNC(=O)C1 34a_100016993742_100000718602 [0,1,0,1,0,0|2,0,0]=4 15650 B13R1.27 CCCCCNCC1CNC(=O)O1 2230a_100000209983_100000181169 [0,1,0,1,0,0|1,0,0]=3 15651 B13R1.27 CCCCCNC[C@@H]1CCC(=O)N1 2230a_100000209983_100015189358 [0,1,0,1,0,0|1,0,0]=3 15652 B13R1.27 CCCCCNC[C@H]1CCC(=O)N1 2230a_100015423886_100000210326 [0,1,0,1,0,0|1,0,0]=3 15653 B13R1.27 CCCCCNC[C@H]1CCC(=O)N1 34a_100015423886_100000718602 [0,1,0,1,0,0|1,0,0]=3 15654 B13R1.27 CCCCCNC[C@H]1COC(=O)N1 2230a_100000209983_100015307671 [0,1,0,1,0,0|2,0,0]=4 15655 B13R1.27 CCCCCOCC1CCC(=O)N1 34a_100000737831_100000718602 [0,1,0,1,0,0|1,0,0]=3 15656 B13R1.27 CCCCCOCC1CNC(=O)C1 34a_100016041077_100000718602 [0,1,0,1,0,0|2,0,0]=4 15657 B13R1.27 CCCCCOCC1CNC(=O)O1 34a_100000210253_100000181169 [0,1,0,1,0,0|1,0,0]=3 15658 B13R1.27 CCCCCOCC1CNC(=O)O1 34a_100011315639_100000718602 [0,1,0,1,0,0|1,0,0]=3 15659 B13R1.27 CCCCCOCC1CNC(=O)O1 7a_100000210253_100000181169 [0,1,0,1,0,0|1,0,0]=3 15660 B13R1.27 CCCCCOCC1COC(=O)O1 34a_100000210253_100000073702 [0,1,0,1,0,0|1,0,0]=3 15661 B13R1.27 CCCCCOC[C@@H]1CCC(=O)N1 7a_100000210253_100015189358 [0,1,0,1,0,0|1,0,0]=3 15662 B13R1.27 CCCCCOC[C@H]1COC(=O)N1 34a_100000210253_100015307671 [0,1,0,1,0,0|2,0,0]=4 15663 B13R1.27 CCCCCOC[C@H]1COC(=O)N1 7a_100000210253_100015307671 [0,1,0,1,0,0|2,0,0]=4 15664 B13R1.27 CCCCCSCC1CNC(=O)O1 62a_100000181169_100000210326 [0,1,0,1,0,0|1,0,0]=3 15665 B13R1.27 CCCCCSCC1CNC(=O)O1 62a_100000210326_100000181169 [0,1,0,1,0,0|1,0,0]=3 15666 B13R1.27 CCCCCSCC1COC(=O)O1 62a_100000073702_100000210326 [0,1,0,1,0,0|1,0,0]=3 15667 B13R1.27 CCCCCSCC1COC(=O)O1 62a_100000210326_100000073702 [0,1,0,1,0,0|1,0,0]=3 15668 B13R1.27 CCCCCSC[C@@H]1CCC(=O)N1 62a_100000210326_100015189358 [0,1,0,1,0,0|1,0,0]=3 15669 B13R1.27 CCCCCSC[C@@H]1CCC(=O)N1 62a_100015189358_100000210326 [0,1,0,1,0,0|1,0,0]=3 15670 B13R1.27 CCCCCSC[C@H]1COC(=O)N1 62a_100000210326_100015307671 [0,1,0,1,0,0|2,0,0]=4 15671 B13R1.27 CCCCCSC[C@H]1COC(=O)N1 62a_100015307671_100000210326 [0,1,0,1,0,0|2,0,0]=4 15672 B13R1.27 CCCCNCCC1COS(=O)O1 7a_106832991798_100009840081 [0,1,0,1,0,0|2,0,0]=4 15673 B13R1.27 CCCCOCCC1COS(=O)O1 7a_100000210227_100009840081 [0,1,0,1,0,0|2,0,0]=4 15674 B13R1.27 CCCCOCOC1CCC(=O)C1 34a_100012614533_100011995733 [0,1,0,1,0,0|2,0,0]=4 15675 B13R1.27 CCCCOCSC1COC(=O)O1 62a_100011995733_100000032252 [0,1,0,1,0,0|2,0,0]=4 15676 B13R1.27 CCCCSCCC1COS(=O)O1 62a_100000210211_100009840081 [0,1,0,1,0,0|2,0,0]=4 15677 B13R1.27 CCCOCCNC1COC(=O)O1 34a_100161115042_100000032252 [0,1,0,1,0,0|2,0,0]=4 15678 B13R1.27 CCCOCCOC1CCC(=O)C1 34a_100012614533_100011215938 [0,1,0,1,0,0|2,0,0]=4 15679 B13R1.27 CCCOCCOC1COC(=O)O1 34a_100000752267_100000032252 [0,1,0,1,0,0|2,0,0]=4 15680 B13R1.27 CCCOCCSC1COC(=O)O1 62a_100011215938_100000032252 [0,1,0,1,0,0|2,0,0]=4 15681 B13R1.27 CCCSCCOC1COC(=O)O1 34a_200000230433_100000032252 [0,1,0,1,0,0|2,0,0]=4 15682 B13R1.27 CCOCCCNC1COC(=O)O1 34a_100000210961_100000032252 [0,1,0,1,0,0|2,0,0]=4 15683 B13R1.27 CCOCCCOC1CCC(=O)C1 34a_100012614533_100012232248 [0,1,0,1,0,0|2,0,0]=4 15684 B13R1.27 CCOCCCOC1COC(=O)O1 34a_100000757476_100000032252 [0,1,0,1,0,0|2,0,0]=4 15685 B13R1.27 CCOCCCSC1COC(=O)O1 62a_100012232248_100000032252 [0,1,0,1,0,0|2,0,0]=4 15686 B13R1.27 CCOCCNCC1CNC(=O)O1 2230a_102516460346_100000181169 [0,1,0,1,0,0|2,0,0]=4 15687 B13R1.27 CCOCCNCC1CNC(=O)O1 34a_102516460346_100000181169 [0,1,0,1,0,0|2,0,0]=4 15688 B13R1.27 CCOCCNCC1COC(=O)O1 34a_102516460346_100000073702 [0,1,0,1,0,0|2,0,0]=4 15689 B13R1.27 CCOCCNC[C@@H]1CCC(=O)N1 2230a_102516460346_100015189358 [0,1,0,1,0,0|2,0,0]=4 15690 B13R1.27 CCOCCNC[C@H]1CCC(=O)N1 2230a_100015423886_100011215890 [0,1,0,1,0,0|2,0,0]=4 15691 B13R1.27 CCOCCNC[C@H]1CCC(=O)N1 34a_100015423886_100000210147 [0,1,0,1,0,0|2,0,0]=4 15692 B13R1.27 CCOCCOCC1CCC(=O)N1 34a_100000737831_100000210147 [0,1,0,1,0,0|2,0,0]=4 15693 B13R1.27 CCOCCOCC1CNC(=O)O1 34a_100000210136_100000181169 [0,1,0,1,0,0|2,0,0]=4 15694 B13R1.27 CCOCCOCC1CNC(=O)O1 34a_100011315639_100000210147 [0,1,0,1,0,0|2,0,0]=4 15695 B13R1.27 CCOCCOCC1CNC(=O)O1 7a_100000210136_100000181169 [0,1,0,1,0,0|2,0,0]=4 15696 B13R1.27 CCOCCOCC1COC(=O)O1 34a_100000210136_100000073702 [0,1,0,1,0,0|2,0,0]=4 15697 B13R1.27 CCOCCOC[C@@H]1CCC(=O)N1 7a_100000210136_100015189358 [0,1,0,1,0,0|2,0,0]=4 15698 B13R1.27 CCOCCSCC1CNC(=O)O1 62a_100000181169_100011215890 [0,1,0,1,0,0|2,0,0]=4 15699 B13R1.27 CCOCCSCC1CNC(=O)O1 62a_100000210147_100000181169 [0,1,0,1,0,0|2,0,0]=4 15700 B13R1.27 CCOCCSCC1COC(=O)O1 62a_100000073702_100011215890 [0,1,0,1,0,0|2,0,0]=4 15701 B13R1.27 CCOCCSCC1COC(=O)O1 62a_100000210147_100000073702 [0,1,0,1,0,0|2,0,0]=4 15702 B13R1.27 CCOCCSC[C@@H]1CCC(=O)N1 62a_100000210147_100015189358 [0,1,0,1,0,0|2,0,0]=4 15703 B13R1.27 CCOCCSC[C@@H]1CCC(=O)N1 62a_100015189358_100011215890 [0,1,0,1,0,0|2,0,0]=4 15704 B13R1.27 CCSCCCOC1COC(=O)O1 34a_100011216438_100000032252 [0,1,0,1,0,0|2,0,0]=4 15705 B13R1.27 CCSCCNCC1CNC(=O)O1 2230a_100000106463_100000181169 [0,1,0,1,0,0|2,0,0]=4 15706 B13R1.27 CCSCCNC[C@@H]1CCC(=O)N1 2230a_100000106463_100015189358 [0,1,0,1,0,0|2,0,0]=4 15707 B13R1.27 CCSCCNC[C@H]1CCC(=O)N1 2230a_100015423886_100000757381 [0,1,0,1,0,0|2,0,0]=4 15708 B13R1.27 CCSCCNC[C@H]1CCC(=O)N1 34a_100015423886_100000757381 [0,1,0,1,0,0|2,0,0]=4 15709 B13R1.27 CCSCCOCC1CCC(=O)N1 34a_100000737831_100000757381 [0,1,0,1,0,0|2,0,0]=4 15710 B13R1.27 CCSCCOCC1CNC(=O)O1 34a_100000212035_100000181169 [0,1,0,1,0,0|2,0,0]=4 15711 B13R1.27 CCSCCOCC1CNC(=O)O1 34a_100011315639_100000757381 [0,1,0,1,0,0|2,0,0]=4 15712 B13R1.27 CCSCCOCC1CNC(=O)O1 7a_100000212035_100000181169 [0,1,0,1,0,0|2,0,0]=4 15713 B13R1.27 CCSCCOCC1COC(=O)O1 34a_100000212035_100000073702 [0,1,0,1,0,0|2,0,0]=4 15714 B13R1.27 CCSCCOC[C@@H]1CCC(=O)N1 7a_100000212035_100015189358 [0,1,0,1,0,0|2,0,0]=4 15715 B13R1.27 CCSCCSCC1CNC(=O)O1 62a_100000181169_100000757381 [0,1,0,1,0,0|2,0,0]=4 15716 B13R1.27 CCSCCSCC1CNC(=O)O1 62a_100000757381_100000181169 [0,1,0,1,0,0|2,0,0]=4 15717 B13R1.27 CCSCCSCC1COC(=O)O1 62a_100000073702_100000757381 [0,1,0,1,0,0|2,0,0]=4 15718 B13R1.27 CCSCCSCC1COC(=O)O1 62a_100000757381_100000073702 [0,1,0,1,0,0|2,0,0]=4 15719 B13R1.27 CCSCCSC[C@@H]1CCC(=O)N1 62a_100000757381_100015189358 [0,1,0,1,0,0|2,0,0]=4 15720 B13R1.27 CCSCCSC[C@@H]1CCC(=O)N1 62a_100015189358_100000757381 [0,1,0,1,0,0|2,0,0]=4 15721 B13R1.27 CNCCCOCC1CNC(=O)O1 34a_100000213112_100000181169 [0,1,0,1,0,0|2,0,0]=4 15722 B13R1.27 CNCCCOCC1COC(=O)O1 34a_100000213112_100000073702 [0,1,0,1,0,0|2,0,0]=4 15723 B13R1.27 COCCCCOC1CCC(=O)C1 34a_100012614533_100000755781 [0,1,0,1,0,0|2,0,0]=4 15724 B13R1.27 COCCCCOC1COC(=O)O1 34a_100000740925_100000032252 [0,1,0,1,0,0|2,0,0]=4 15725 B13R1.27 COCCCCSC1COC(=O)O1 62a_100000730899_100000032252 [0,1,0,1,0,0|2,0,0]=4 15726 B13R1.27 COCCCNCC1CNC(=O)O1 34a_100150723488_100000181169 [0,1,0,1,0,0|2,0,0]=4 15727 B13R1.27 COCCCNCC1COC(=O)O1 34a_100150723488_100000073702 [0,1,0,1,0,0|2,0,0]=4 15728 B13R1.27 COCCCNC[C@H]1CCC(=O)N1 2230a_100015423886_100000740836 [0,1,0,1,0,0|2,0,0]=4 15729 B13R1.27 COCCCNC[C@H]1CCC(=O)N1 34a_100015423886_100000740836 [0,1,0,1,0,0|2,0,0]=4 15730 B13R1.27 COCCCOCC1CCC(=O)N1 34a_100000737831_100000740836 [0,1,0,1,0,0|2,0,0]=4 15731 B13R1.27 COCCCOCC1CNC(=O)O1 34a_100000740835_100000181169 [0,1,0,1,0,0|2,0,0]=4 15732 B13R1.27 COCCCOCC1CNC(=O)O1 34a_100011315639_100000740836 [0,1,0,1,0,0|2,0,0]=4 15733 B13R1.27 COCCCOCC1COC(=O)O1 34a_100000740835_100000073702 [0,1,0,1,0,0|2,0,0]=4 15734 B13R1.27 COCCCSCC1CNC(=O)O1 62a_100000181169_100000709357 [0,1,0,1,0,0|2,0,0]=4 15735 B13R1.27 COCCCSCC1CNC(=O)O1 62a_100000709357_100000181169 [0,1,0,1,0,0|2,0,0]=4 15736 B13R1.27 COCCCSCC1COC(=O)O1 62a_100000073702_100000709357 [0,1,0,1,0,0|2,0,0]=4 15737 B13R1.27 COCCCSCC1COC(=O)O1 62a_100000709357_100000073702 [0,1,0,1,0,0|2,0,0]=4 15738 B13R1.27 COCCCSC[C@@H]1CCC(=O)N1 62a_100000709357_100015189358 [0,1,0,1,0,0|2,0,0]=4 15739 B13R1.27 COCCCSC[C@@H]1CCC(=O)N1 62a_100015189358_100000709357 [0,1,0,1,0,0|2,0,0]=4 15740 B13R1.27 CSCCCCOC1COC(=O)O1 34a_100011217163_100000032252 [0,1,0,1,0,0|2,0,0]=4 15741 B13R1.27 CSCCCNCC1CNC(=O)O1 2230a_100000749238_100000181169 [0,1,0,1,0,0|2,0,0]=4 15742 B13R1.27 CSCCCNC[C@@H]1CCC(=O)N1 2230a_100000749238_100015189358 [0,1,0,1,0,0|2,0,0]=4 15743 B13R1.27 CSCCCOCC1CNC(=O)O1 34a_100000690336_100000181169 [0,1,0,1,0,0|2,0,0]=4 15744 B13R1.27 CSCCCOCC1CNC(=O)O1 7a_100000690336_100000181169 [0,1,0,1,0,0|2,0,0]=4 15745 B13R1.27 CSCCCOCC1COC(=O)O1 34a_100000690336_100000073702 [0,1,0,1,0,0|2,0,0]=4 15746 B13R1.27 CSCCCOC[C@@H]1CCC(=O)N1 7a_100000690336_100015189358 [0,1,0,1,0,0|2,0,0]=4 15747 B13R1.27 NCCCCCOC1COC(=O)O1 34a_100000762737_100000032252 [0,1,0,1,0,0|2,0,0]=4 15748 B13R1.27 NCCCCOCC1CNC(=O)O1 34a_100000750430_100000181169 [0,1,0,1,0,0|2,0,0]=4 15749 B13R1.27 NCCCCOCC1COC(=O)O1 34a_100000750430_100000073702 [0,1,0,1,0,0|2,0,0]=4 15750 B13R1.27 O=C1CCC(C1)OCCCCCF 34a_100012614533_100000729378 [0,1,0,1,0,0|2,0,0]=4 15751 B13R1.27 O=C1CCC(C1)OCCCCCO 34a_100012614533_100000746330 [0,1,0,1,0,0|2,0,0]=4 15752 B13R1.27 O=C1CCC(N1)COCCCCF 34a_100000737831_100000729493 [0,1,0,1,0,0|2,0,0]=4 15753 B13R1.27 O=C1CCC(N1)COCCCCO 34a_100000737831_100011216708 [0,1,0,1,0,0|2,0,0]=4 15754 B13R1.27 O=C1CC[C@@H](N1)CNCCCCF 2230a_100015423886_100000729493 [0,1,0,1,0,0|2,0,0]=4 15755 B13R1.27 O=C1CC[C@@H](N1)CNCCCCF 34a_100015423886_100000729493 [0,1,0,1,0,0|2,0,0]=4 15756 B13R1.27 O=C1CC[C@@H](N1)CNCCCCO 2230a_100015423886_100000210776 [0,1,0,1,0,0|2,0,0]=4 15757 B13R1.27 O=C1CC[C@@H](N1)CNCCCCO 34a_100015423886_100011216708 [0,1,0,1,0,0|2,0,0]=4 15758 B13R1.27 O=C1CC[C@H](N1)CNCCCCO 2230a_100000750430_100015189358 [0,1,0,1,0,0|2,0,0]=4 15759 B13R1.27 O=C1CC[C@H](N1)COCCCCCl 7a_100000210776_100015189358 [0,1,0,1,0,0|2,0,0]=4 15760 B13R1.27 O=C1CC[C@H](N1)COCCCCF 7a_100011995726_100015189358 [0,1,0,1,0,0|2,0,0]=4 15761 B13R1.27 O=C1CC[C@H](N1)CSCCCCF 62a_100000729493_100015189358 [0,1,0,1,0,0|2,0,0]=4 15762 B13R1.27 O=C1CC[C@H](N1)CSCCCCF 62a_100015189358_100000729493 [0,1,0,1,0,0|2,0,0]=4 15763 B13R1.27 O=C1CC[C@H](N1)CSCCCCO 62a_100000210776_100015189358 [0,1,0,1,0,0|2,0,0]=4 15764 B13R1.27 O=C1CC[C@H](N1)CSCCCCO 62a_100015189358_100000210776 [0,1,0,1,0,0|2,0,0]=4 15765 B13R1.27 O=C1NCC(O1)CNCCCCO 2230a_100000750430_100000181169 [0,1,0,1,0,0|2,0,0]=4 15766 B13R1.27 O=C1NCC(O1)CNCCCCO 34a_100000750430_100000181169 [0,1,0,1,0,0|2,0,0]=4 15767 B13R1.27 O=C1NCC(O1)COCCCCBr 34a_100011216708_100000181169 [0,1,0,1,0,0|2,0,0]=4 15768 B13R1.27 O=C1NCC(O1)COCCCCCl 34a_100000210776_100000181169 [0,1,0,1,0,0|2,0,0]=4 15769 B13R1.27 O=C1NCC(O1)COCCCCCl 7a_100000210776_100000181169 [0,1,0,1,0,0|2,0,0]=4 15770 B13R1.27 O=C1NCC(O1)COCCCCF 34a_100011315639_100000729493 [0,1,0,1,0,0|2,0,0]=4 15771 B13R1.27 O=C1NCC(O1)COCCCCF 34a_100011995726_100000181169 [0,1,0,1,0,0|2,0,0]=4 15772 B13R1.27 O=C1NCC(O1)COCCCCF 7a_100011995726_100000181169 [0,1,0,1,0,0|2,0,0]=4 15773 B13R1.27 O=C1NCC(O1)COCCCCI 34a_200012148704_100000181169 [0,1,0,1,0,0|2,0,0]=4 15774 B13R1.27 O=C1NCC(O1)COCCCCO 34a_100011315639_100011216708 [0,1,0,1,0,0|2,0,0]=4 15775 B13R1.27 O=C1NCC(O1)CSCCCCF 62a_100000181169_100000729493 [0,1,0,1,0,0|2,0,0]=4 15776 B13R1.27 O=C1NCC(O1)CSCCCCF 62a_100000729493_100000181169 [0,1,0,1,0,0|2,0,0]=4 15777 B13R1.27 O=C1NCC(O1)CSCCCCO 62a_100000181169_100000210776 [0,1,0,1,0,0|2,0,0]=4 15778 B13R1.27 O=C1NCC(O1)CSCCCCO 62a_100000210776_100000181169 [0,1,0,1,0,0|2,0,0]=4 15779 B13R1.27 O=C1OCC(O1)CNCCCCO 34a_100000750430_100000073702 [0,1,0,1,0,0|2,0,0]=4 15780 B13R1.27 O=C1OCC(O1)COCCCCBr 34a_100011216708_100000073702 [0,1,0,1,0,0|2,0,0]=4 15781 B13R1.27 O=C1OCC(O1)COCCCCCl 34a_100000210776_100000073702 [0,1,0,1,0,0|2,0,0]=4 15782 B13R1.27 O=C1OCC(O1)COCCCCF 34a_100011995726_100000073702 [0,1,0,1,0,0|2,0,0]=4 15783 B13R1.27 O=C1OCC(O1)COCCCCI 34a_200012148704_100000073702 [0,1,0,1,0,0|2,0,0]=4 15784 B13R1.27 O=C1OCC(O1)CSCCCCF 62a_100000073702_100000729493 [0,1,0,1,0,0|2,0,0]=4 15785 B13R1.27 O=C1OCC(O1)CSCCCCF 62a_100000729493_100000073702 [0,1,0,1,0,0|2,0,0]=4 15786 B13R1.27 O=C1OCC(O1)CSCCCCO 62a_100000073702_100000210776 [0,1,0,1,0,0|2,0,0]=4 15787 B13R1.27 O=C1OCC(O1)CSCCCCO 62a_100000210776_100000073702 [0,1,0,1,0,0|2,0,0]=4 15788 B13R1.27 O=C1OCC(O1)NCCCCCO 34a_100000762737_100000032252 [0,1,0,1,0,0|2,0,0]=4 15789 B13R1.27 O=C1OCC(O1)OCCCCCBr 34a_100000746331_100000032252 [0,1,0,1,0,0|2,0,0]=4 15790 B13R1.27 O=C1OCC(O1)OCCCCCCl 34a_100000746330_100000032252 [0,1,0,1,0,0|2,0,0]=4 15791 B13R1.27 O=C1OCC(O1)OCCCCCI 34a_200012148887_100000032252 [0,1,0,1,0,0|2,0,0]=4 15792 B13R1.27 O=C1OCC(O1)SCCCCCF 62a_100000729378_100000032252 [0,1,0,1,0,0|2,0,0]=4 15793 B13R1.27 O=C1OCC(O1)SCCCCCO 62a_100000746330_100000032252 [0,1,0,1,0,0|2,0,0]=4 15794 B13R1.201 CC1CCCCC1C(=O)CC(=O)N 1458a_100011215568_100000187820 [0,1,0,1,0,0|1,0,1]=4 15795 B13R1.201 CC1CCCCC1C(=O)CC(=O)[O-] 1458a_100011215568_100020667443 [0,1,0,1,0,0|0,0,2]=4 15796 B13R1.201 CC1CCCCC1N(C)CC(=O)N 270004a_100000739694_100000210921 [0,1,0,1,0,0|2,0,0]=4 15797 B13R1.201 CN(CC(=O)O)C1CCCCC1F 269956a_100000746989_100015423560 [0,1,0,1,0,0|2,0,0]=4 15798 B13R1.201 CN(CC(=O)O)C1CCCCC1O 269956a_100000746989_100000038908 [0,1,0,1,0,0|2,0,0]=4 15799 B13R1.348 CN(CC(=O)N)CC1CCCCC1 2230a_100000736448_100000747473 [0,1,0,1,0,0|2,0,0]=4 15800 B13R1.348 CN(CC(=O)N)CC1CCCCC1 2230a_100000739694_100000211423 [0,1,0,1,0,0|2,0,0]=4 15801 B13R1.348 CN(CC(=O)N)CC1CCCCC1 269982a_100000736448_100000187820 [0,1,0,1,0,0|2,0,0]=4 15802 B13R1.348 CN(CC(=O)N)CC1CCCCC1 34a_100000736448_100000187820 [0,1,0,1,0,0|2,0,0]=4 15803 B13R1.348 CN(CC(=O)O)CC1CCCCC1 269956a_100000746989_100000211423 [0,1,0,1,0,0|1,0,0]=3 15804 B13R1.348 CN(CC(=O)O)CC1CCCCO1 269956a_100000746989_100000211543 [0,1,0,1,0,0|2,0,0]=4 15805 B13R1.348 CN(CC(=O)O)CC1CCCOC1 269956a_100000746989_100000741521 [0,1,0,1,0,0|2,0,0]=4 15806 B13R1.348 CN(CC(=O)O)CC1CCOCC1 269956a_100000746989_100000754603 [0,1,0,1,0,0|2,0,0]=4 15807 B13R1.348 CN(CC(=O)[O-])CC1CCCCC1 269982a_100000736448_100020667443 [0,1,0,1,0,0|1,0,1]=4 15808 B13R1.348 CN(CC(=O)[O-])CC1CCCCC1 34a_100000736448_100020667443 [0,1,0,1,0,0|1,0,1]=4 15809 B13R1.348 NC(=O)CC(=O)CC1CCCCC1 1458a_100000211666_100000187820 [0,1,0,1,0,0|1,0,1]=4 15810 B13R1.348 NC(=O)CC(=O)CC1CCCCC1 1458a_100134613110_100000211423 [0,1,0,1,0,0|1,0,1]=4 15811 B13R1.348 O=C([O-])CC(=O)CC1CCCCC1 1458a_100000211666_100020667443 [0,1,0,1,0,0|0,0,2]=4 15812 B13R1.373 CCCN1CCCC(C1)CC(=O)O 269956a_100015207179_100000210207 [0,1,0,1,0,0|1,0,0]=3 15813 B13R1.373 CCCN1CCOC(C1)CC(=O)O 269956a_100015183369_100000210207 [0,1,0,1,0,0|2,0,0]=4 15814 B13R1.373 COCN1CCCC(C1)CC(=O)O 269956a_100015207179_100000766300 [0,1,0,1,0,0|2,0,0]=4 15815 B13R1.373 CSCN1CCCC(C1)CC(=O)O 269956a_100015207179_100011218213 [0,1,0,1,0,0|2,0,0]=4 15816 B13R1.373 O=C(O)CC1CCCN(C1)CCF 269956a_100015207179_100011217306 [0,1,0,1,0,0|2,0,0]=4 15817 B13R1.373 O=C(O)CC1CCCN(C1)CCO 269956a_100015207179_100000211926 [0,1,0,1,0,0|2,0,0]=4 15818 B13R1.498 CCCCN1CCC(C1)CC(=O)O 269956a_100000719201_100000210211 [0,1,0,1,0,0|1,0,0]=3 15819 B13R1.498 CCOCN1CCC(C1)CC(=O)O 269956a_100000719201_100000739092 [0,1,0,1,0,0|2,0,0]=4 15820 B13R1.498 COCCN1CCC(C1)CC(=O)O 269956a_100000719201_100000233755 [0,1,0,1,0,0|2,0,0]=4 15821 B13R1.498 CSCCN1CCC(C1)CC(=O)O 269956a_100000719201_100000212216 [0,1,0,1,0,0|2,0,0]=4 15822 B13R1.498 O=C(O)CC1CCN(C1)CCCF 269956a_100000719201_100011934791 [0,1,0,1,0,0|2,0,0]=4 15823 B13R1.498 O=C(O)CC1CCN(C1)CCCO 269956a_100000719201_100011215043 [0,1,0,1,0,0|2,0,0]=4 15824 B13R1.593 CN(CCC1CCCC1)CC(=O)N 2230a_100000739694_100000760354 [0,1,0,1,0,0|2,0,0]=4 15825 B13R1.593 CN(CCC1CCCC1)CC(=O)O 269956a_100000746989_100000760354 [0,1,0,1,0,0|1,0,0]=3 15826 B13R1.593 CN(CCN1CCCC1)CC(=O)O 269956a_100000746989_100000004467 [0,1,0,1,0,0|2,0,0]=4 15827 B13R1.593 NC(=O)CC(=O)CCC1CCCC1 1458a_100000211120_100000187820 [0,1,0,1,0,0|1,0,1]=4 15828 B13R1.593 NC(=O)CC(=O)CCC1CCCC1 1458a_100134613110_100000760354 [0,1,0,1,0,0|1,0,1]=4 15829 B13R1.593 O=C(O)CC(O)CNC1CCCC1 269956a_100011218706_100000179811 [0,1,0,1,0,0|1,0,0]=3 15830 B13R1.593 O=C(O)CC(O)CNC1CCOC1 269956a_100011218706_100000731011 [0,1,0,1,0,0|2,0,0]=4 15831 B13R1.593 O=C([O-])CC(=O)CCC1CCCC1 1458a_100000211120_100020667443 [0,1,0,1,0,0|0,0,2]=4 15832 B13R1.1107 C=C(C)CN1CCCCCCCC1 2230a_100000039187_100000748629 [0,1,0,1,0,0|2,0,0]=4 15833 B13R1.1107 C=C(C)CN1CCCCCCCC1 269982a_100000039187_100000748629 [0,1,0,1,0,0|2,0,0]=4 15834 B13R1.1107 C=C(C)CN1CCCCCCCC1 34a_100000039187_100000748629 [0,1,0,1,0,0|2,0,0]=4 15835 B13R1.1107 C=C(F)CN1CCCCCCCC1 2230a_100000039187_100009893438 [0,1,0,1,0,0|2,0,0]=4 15836 B13R1.1107 C=C(F)CN1CCCCCCCC1 269982a_100000039187_100009893438 [0,1,0,1,0,0|2,0,0]=4 15837 B13R1.1107 C=C(F)CN1CCCCCCCC1 34a_100000039187_100009893438 [0,1,0,1,0,0|2,0,0]=4 15838 B13R1.1107 CC(O)CN1CCCCCCCC1 2230a_100000039187_100011218427 [0,1,0,1,0,0|1,0,1]=4 15839 B13R1.1107 CC(O)CN1CCCCCCCC1 269982a_100000039187_100011218427 [0,1,0,1,0,0|1,0,1]=4 15840 B13R1.1107 CC(O)CN1CCCCCCCC1 34a_100000039187_100011218427 [0,1,0,1,0,0|1,0,1]=4 15841 B13R1.1107 C[C@@H](O)CN1CCCCCCCC1 2230a_100000039187_100009817552 [0,1,0,1,0,0|1,0,1]=4 15842 B13R1.1107 C[C@@H](O)CN1CCCCCCCC1 269982a_100000039187_100009817552 [0,1,0,1,0,0|1,0,1]=4 15843 B13R1.1107 C[C@@H](O)CN1CCCCCCCC1 34a_100000039187_100009817552 [0,1,0,1,0,0|1,0,1]=4 15844 B13R1.1107 NC(=O)CN1CCCCCCCC1 2230a_100000039187_100000747473 [0,1,0,1,0,0|1,0,0]=3 15845 B13R1.1107 NC(=O)CN1CCCCCCCC1 269982a_100000039187_100000187820 [0,1,0,1,0,0|1,0,0]=3 15846 B13R1.1107 NC(=O)CN1CCCCCCCC1 34a_100000039187_100000187820 [0,1,0,1,0,0|1,0,0]=3 15847 B13R1.1107 O=C([O-])CN1CCCCCCCC1 269982a_100000039187_100020667443 [0,1,0,1,0,0|0,0,1]=3 15848 B13R1.1107 O=C([O-])CN1CCCCCCCC1 34a_100000039187_100020667443 [0,1,0,1,0,0|0,0,1]=3 15849 B13R1.1107 O=[N+]([O-])CN1CCCCCCCC1 269982a_100000039187_100000761209 [0,1,0,1,0,0|1,0,1]=4 15850 B13R1.1107 O=[N+]([O-])CN1CCCCCCCC1 34a_100000039187_100000761209 [0,1,0,1,0,0|1,0,1]=4 15851 B13R1.1154 CCCCCN1CC(C1)CC(=O)O 269956a_100016993960_100000210326 [0,1,0,1,0,0|1,0,0]=3 15852 B13R1.1154 CCOCCN1CC(C1)CC(=O)O 269956a_100016993960_100000210147 [0,1,0,1,0,0|2,0,0]=4 15853 B13R1.1154 CCSCCN1CC(C1)CC(=O)O 269956a_100016993960_100000757381 [0,1,0,1,0,0|2,0,0]=4 15854 B13R1.1154 COCCCN1CC(C1)CC(=O)O 269956a_100016993960_100000740836 [0,1,0,1,0,0|2,0,0]=4 15855 B13R1.1154 O=C(O)CC1CN(C1)CCCCF 269956a_100016993960_100000729493 [0,1,0,1,0,0|2,0,0]=4 15856 B13R1.1154 O=C(O)CC1CN(C1)CCCCO 269956a_100016993960_100000210776 [0,1,0,1,0,0|2,0,0]=4 15857 B13R1.2027 O=C(O)CC(O)CNCC1CCC1 269956a_100011218706_100000763275 [0,1,0,1,0,0|1,0,0]=3 15858 B13R1.2027 O=C(O)CC(O)CNCC1CCO1 269956a_100011218706_100000103362 [0,1,0,1,0,0|2,0,0]=4 15859 B13R1.2027 O=C(O)CC(O)CNCC1COC1 269956a_100011218706_100010264016 [0,1,0,1,0,0|2,0,0]=4 15860 B13R1.2028 O=C(O)CC(O)CNCCC1CC1 269956a_100011218706_100000694398 [0,1,0,1,0,0|1,0,0]=3 15861 B13R1.2028 O=C(O)CC(O)CNCCC1CO1 269956a_100011218706_100000732470 [0,1,0,1,0,0|2,0,0]=4 15862 B13R1.2800 CCC1CCCC1N(C)CC(=O)N 270004a_100000739694_100000749056 [0,1,0,1,0,0|2,0,0]=4 15863 B13R1.7456 CC(=O)CC(C)N1CCCCCC1 1458a_100015185830_200000210301 [0,1,0,1,0,0|2,0,0]=4 15864 B13R1.7456 CC(CC(=O)[13CH3])N1CCCCCC1 1458a_100015185830_200025704644 [0,1,0,1,0,0|2,0,0]=4 15865 B13R1.7456 CN(CC(=O)N)C1CCCCCC1 2230a_100015185097_100000747473 [0,1,0,1,0,0|2,0,0]=4 15866 B13R1.7456 CN(CC(=O)N)C1CCCCCC1 269982a_100015185097_100000187820 [0,1,0,1,0,0|2,0,0]=4 15867 B13R1.7456 CN(CC(=O)N)C1CCCCCC1 270004a_100000739694_100000210131 [0,1,0,1,0,0|2,0,0]=4 15868 B13R1.7456 CN(CC(=O)N)C1CCCCCC1 34a_100015185097_100000187820 [0,1,0,1,0,0|2,0,0]=4 15869 B13R1.7456 CN(CC(=O)O)C1CCCCCC1 269956a_100000746989_100011217769 [0,1,0,1,0,0|1,0,0]=3 15870 B13R1.7456 CN(CC(=O)O)C1CCCCCC1 269956a_200011259081_200000210301 [0,1,0,1,0,0|1,0,0]=3 15871 B13R1.7456 CN(CC(=O)[O-])C1CCCCCC1 269982a_100015185097_100020667443 [0,1,0,1,0,0|1,0,1]=4 15872 B13R1.7456 CN(CC(=O)[O-])C1CCCCCC1 34a_100015185097_100020667443 [0,1,0,1,0,0|1,0,1]=4 15873 B13R1.7456 NC(=O)CC(=O)C1CCCCCC1 1458a_100000749507_100000187820 [0,1,0,1,0,0|1,0,1]=4 15874 B13R1.7456 NC(=O)CC(=O)C1CCCCCC1 1458a_100134613110_100011217769 [0,1,0,1,0,0|1,0,1]=4 15875 B13R1.7456 O=C([O-])CC(=O)C1CCCCCC1 1458a_100000749507_100020667443 [0,1,0,1,0,0|0,0,2]=4 15876 B13R1.7456 [13CH3]N(CC(=O)O)C1CCCCCC1 269956a_200011259081_200025704644 [0,1,0,1,0,0|1,0,0]=3 15877 B13R1.18 CCCCC(=O)[C@H]1CCCC(=O)N1 1458a_100000705292_100000210211 [0,1,0,1,0,0|1,0,1]=4 15878 B13R1.43 CCCCC(=O)CC1CCC(=O)N1 1458a_100000026770_100000210211 [0,1,0,1,0,0|1,0,1]=4 15879 B13R1.43 CCCCC(=O)CC1CNC(=O)O1 1458a_100000210183_100000181169 [0,1,0,1,0,0|1,0,1]=4 15880 B13R1.43 CCCCC(=O)CC1COC(=O)O1 1458a_100000210183_100000073702 [0,1,0,1,0,0|1,0,1]=4 15881 B13R1.43 CCCCC(=O)C[C@@H]1CCC(=O)N1 1458a_100000210183_100015189358 [0,1,0,1,0,0|1,0,1]=4 15882 B13R1.43 CCCCC(C)OC1CCC(=O)C1 34a_100012614533_200011215066 [0,1,0,1,0,0|2,0,0]=4 15883 B13R1.43 CCCCC(C)OC1COC(=O)O1 34a_100000687866_100000032252 [0,1,0,1,0,0|2,0,0]=4 15884 B13R1.43 CCCCC(C)SC1COC(=O)O1 62a_200011215066_100000032252 [0,1,0,1,0,0|2,0,0]=4 15885 B13R1.43 CCCCN(C)CC1CNC(=O)O1 2230a_100000207549_100000181169 [0,1,0,1,0,0|2,0,0]=4 15886 B13R1.43 CCCCN(C)CC1CNC(=O)O1 269982a_100000207549_100000181169 [0,1,0,1,0,0|2,0,0]=4 15887 B13R1.43 CCCCN(C)CC1COC(=O)O1 269982a_100000207549_100000073702 [0,1,0,1,0,0|2,0,0]=4 15888 B13R1.43 CCCCN(C)C[C@@H]1CCC(=O)N1 2230a_100000207549_100015189358 [0,1,0,1,0,0|2,0,0]=4 15889 B13R1.43 CCCCN(C)C[C@@H]1CCC(=O)N1 269982a_100000207549_100015189358 [0,1,0,1,0,0|2,0,0]=4 15890 B13R1.128 CC(=O)CCCCN1CCC(C1)O 269982a_100011215560_100000735457 [0,1,0,1,0,0|2,0,0]=4 15891 B13R1.128 CC(=O)CCCCN1CC[C@@H](C1)F 269982a_100015203821_100000735457 [0,1,0,1,0,0|2,0,0]=4 15892 B13R1.128 CC(=O)CCCCN1CC[C@@H](C1)F 34a_100015203821_100009817362 [0,1,0,1,0,0|2,0,0]=4 15893 B13R1.128 CC(=O)CCCCN1CC[C@H](C1)C 269982a_100016987628_100000735457 [0,1,0,1,0,0|2,0,0]=4 15894 B13R1.128 CC(=O)CCCCN1CC[C@H](C1)C 34a_100016987628_100009817362 [0,1,0,1,0,0|2,0,0]=4 15895 B13R1.128 CC(=O)CCCOC1CCC(C1)C 34a_100000698185_100000685027 [0,1,0,1,0,0|2,0,0]=4 15896 B13R1.128 CC(Br)CCOCC1CNC(=O)O1 34a_100009893172_100000181169 [0,1,0,1,0,0|2,0,0]=4 15897 B13R1.128 CC(Br)CCOCC1COC(=O)O1 34a_100009893172_100000073702 [0,1,0,1,0,0|2,0,0]=4 15898 B13R1.128 CC(C)CCCNC1COC(=O)O1 34a_200000737386_100000032252 [0,1,0,1,0,0|2,0,0]=4 15899 B13R1.128 CC(C)CCCOC1CCC(=O)C1 34a_100012614533_100011214892 [0,1,0,1,0,0|2,0,0]=4 15900 B13R1.128 CC(C)CCCOC1COC(=O)O1 34a_100000210774_100000032252 [0,1,0,1,0,0|2,0,0]=4 15901 B13R1.128 CC(C)CCCSC1COC(=O)O1 62a_100011214892_100000032252 [0,1,0,1,0,0|2,0,0]=4 15902 B13R1.128 CC(C)CCNC[C@H]1CCC(=O)N1 2230a_100015423886_100000210312 [0,1,0,1,0,0|2,0,0]=4 15903 B13R1.128 CC(C)CCNC[C@H]1CCC(=O)N1 269862a_100015423886_100000185833 [0,1,0,1,0,0|2,0,0]=4 15904 B13R1.128 CC(C)CCNC[C@H]1CCC(=O)N1 34a_100015423886_100000210312 [0,1,0,1,0,0|2,0,0]=4 15905 B13R1.128 CC(C)CCOCC1CCC(=O)N1 34a_100000737831_100000210312 [0,1,0,1,0,0|2,0,0]=4 15906 B13R1.128 CC(C)CCOCC1CNC(=O)O1 34a_100000210254_100000181169 [0,1,0,1,0,0|2,0,0]=4 15907 B13R1.128 CC(C)CCOCC1CNC(=O)O1 34a_100011315639_100000210312 [0,1,0,1,0,0|2,0,0]=4 15908 B13R1.128 CC(C)CCOCC1CNC(=O)O1 7a_100000210254_100000181169 [0,1,0,1,0,0|2,0,0]=4 15909 B13R1.128 CC(C)CCOCC1COC(=O)O1 34a_100000210254_100000073702 [0,1,0,1,0,0|2,0,0]=4 15910 B13R1.128 CC(C)CCOC[C@@H]1CCC(=O)N1 7a_100000210254_100015189358 [0,1,0,1,0,0|2,0,0]=4 15911 B13R1.128 CC(C)CCSCC1CNC(=O)O1 62a_100000181169_100000210312 [0,1,0,1,0,0|2,0,0]=4 15912 B13R1.128 CC(C)CCSCC1CNC(=O)O1 62a_100000210312_100000181169 [0,1,0,1,0,0|2,0,0]=4 15913 B13R1.128 CC(C)CCSCC1COC(=O)O1 62a_100000073702_100000210312 [0,1,0,1,0,0|2,0,0]=4 15914 B13R1.128 CC(C)CCSCC1COC(=O)O1 62a_100000210312_100000073702 [0,1,0,1,0,0|2,0,0]=4 15915 B13R1.128 CC(C)CCSC[C@@H]1CCC(=O)N1 62a_100000210312_100015189358 [0,1,0,1,0,0|2,0,0]=4 15916 B13R1.128 CC(C)CCSC[C@@H]1CCC(=O)N1 62a_100015189358_100000210312 [0,1,0,1,0,0|2,0,0]=4 15917 B13R1.128 CC(O)CCCOC1CCC(=O)C1 34a_100012614533_200000718107 [0,1,0,1,0,0|2,0,0]=4 15918 B13R1.128 CC(O)CCCSC1COC(=O)O1 62a_200000718107_100000032252 [0,1,0,1,0,0|2,0,0]=4 15919 B13R1.128 CC(O)CCNCC1CNC(=O)O1 2230a_200000755665_100000181169 [0,1,0,1,0,0|2,0,0]=4 15920 B13R1.128 CC(O)CCNC[C@@H]1CCC(=O)N1 2230a_200000755665_100015189358 [0,1,0,1,0,0|2,0,0]=4 15921 B13R1.128 CC(O)CCNC[C@H]1CCC(=O)N1 2230a_100015423886_100012276601 [0,1,0,1,0,0|2,0,0]=4 15922 B13R1.128 CC(O)CCNC[C@H]1CCC(=O)N1 34a_100015423886_100012276601 [0,1,0,1,0,0|2,0,0]=4 15923 B13R1.128 CC(O)CCOCC1CCC(=O)N1 34a_100000737831_100012276601 [0,1,0,1,0,0|2,0,0]=4 15924 B13R1.128 CC(O)CCOCC1CNC(=O)O1 34a_100011315639_100012276601 [0,1,0,1,0,0|2,0,0]=4 15925 B13R1.128 CC(O)CCSCC1CNC(=O)O1 62a_100000181169_100012276601 [0,1,0,1,0,0|2,0,0]=4 15926 B13R1.128 CC(O)CCSCC1CNC(=O)O1 62a_100012276601_100000181169 [0,1,0,1,0,0|2,0,0]=4 15927 B13R1.128 CC(O)CCSCC1COC(=O)O1 62a_100000073702_100012276601 [0,1,0,1,0,0|2,0,0]=4 15928 B13R1.128 CC(O)CCSCC1COC(=O)O1 62a_100012276601_100000073702 [0,1,0,1,0,0|2,0,0]=4 15929 B13R1.128 CC(O)CCSC[C@@H]1CCC(=O)N1 62a_100012276601_100015189358 [0,1,0,1,0,0|2,0,0]=4 15930 B13R1.128 CC(O)CCSC[C@@H]1CCC(=O)N1 62a_100015189358_100012276601 [0,1,0,1,0,0|2,0,0]=4 15931 B13R1.128 CC1CCC(C1)OCCCC(=O)N 34a_100000698185_100102525003 [0,1,0,1,0,0|2,0,0]=4 15932 B13R1.128 C[C@@H](N)CCOCC1CNC(=O)O1 34a_100000706166_100000181169 [0,1,0,1,0,0|2,0,0]=4 15933 B13R1.128 C[C@@H](N)CCOCC1COC(=O)O1 34a_100000706166_100000073702 [0,1,0,1,0,0|2,0,0]=4 15934 B13R1.158 C=C(C)CCNC1CCCCC1C 2230a_100000211402_100000730704 [0,1,0,1,0,0|2,0,0]=4 15935 B13R1.158 C=C(C)CCNC1CCCCC1C 34a_100000211402_100000730704 [0,1,0,1,0,0|2,0,0]=4 15936 B13R1.158 C=C(C)CCOC1CCCCC1C 34a_100000211207_100000730704 [0,1,0,1,0,0|2,0,0]=4 15937 B13R1.158 C=C(C)CCOC1CCCCC1C 7a_100000211207_100000730704 [0,1,0,1,0,0|2,0,0]=4 15938 B13R1.158 CC(=O)CCCN1CCCCC1C 269982a_100000211376_100011215641 [0,1,0,1,0,0|1,0,0]=3 15939 B13R1.158 CC(=O)CCCN1CCCCC1C 34a_100000211376_100000685027 [0,1,0,1,0,0|1,0,0]=3 15940 B13R1.158 CC(=O)CCCN1CCOC[C@@H]1C 269982a_100009815349_100011215641 [0,1,0,1,0,0|2,0,0]=4 15941 B13R1.158 CC(=O)CCCN1CCOC[C@@H]1C 34a_100009815349_100000685027 [0,1,0,1,0,0|2,0,0]=4 15942 B13R1.158 CC(=O)CCOC1CCCCC1C 7a_100000211207_100000053229 [0,1,0,1,0,0|1,0,0]=3 15943 B13R1.158 CC(=O)CCOC1CCCCC1Cl 7a_100000038908_100000053229 [0,1,0,1,0,0|2,0,0]=4 15944 B13R1.158 CC(=O)CCOC1CCCCC1F 34a_100000759926_100015423560 [0,1,0,1,0,0|2,0,0]=4 15945 B13R1.158 CC(=O)CCOC1CCCCC1O 34a_100000759926_100000038908 [0,1,0,1,0,0|2,0,0]=4 15946 B13R1.158 CC(=O)CCO[C@@H]1CCCC[C@H]1F 7a_100009816020_100000053229 [0,1,0,1,0,0|2,0,0]=4 15947 B13R1.158 CC(=O)CCSC1CCCCC1F 62a_100000053229_100015423560 [0,1,0,1,0,0|2,0,0]=4 15948 B13R1.158 CC(=O)CCSC1CCCCC1F 62a_100015423560_100000053229 [0,1,0,1,0,0|2,0,0]=4 15949 B13R1.158 CC(=O)CCSC1CCCCC1O 62a_100000038908_100000053229 [0,1,0,1,0,0|2,0,0]=4 15950 B13R1.158 CC(=O)CCSC1CCCCC1O 62a_100000053229_100000038908 [0,1,0,1,0,0|2,0,0]=4 15951 B13R1.158 CC(=O)COCC1CCCCN1C 34a_100000211253_100015186950 [0,1,0,1,0,0|2,0,0]=4 15952 B13R1.158 CC(=O)NCCC1CCCCN1C 2230a_200011221479_200000210301 [0,1,0,1,0,0|2,0,0]=4 15953 B13R1.158 CC(=O)NCCC1CCCCN1C 269982a_200011221479_200000210301 [0,1,0,1,0,0|2,0,0]=4 15954 B13R1.158 CC(=O)NCCC1CCCCN1C 34a_200011221479_200000210301 [0,1,0,1,0,0|2,0,0]=4 15955 B13R1.158 CC(=O)NCCC1CCCCN1[13CH3] 2230a_200011221479_200025704644 [0,1,0,1,0,0|2,0,0]=4 15956 B13R1.158 CC(=O)NCCC1CCCCN1[13CH3] 269982a_200011221479_200025704644 [0,1,0,1,0,0|2,0,0]=4 15957 B13R1.158 CC(=O)NCCC1CCCCN1[13CH3] 34a_200011221479_200025704644 [0,1,0,1,0,0|2,0,0]=4 15958 B13R1.158 CC(=O)NCCN1CCCCC1C 2230a_100000211376_100000189650 [0,1,0,1,0,0|2,0,0]=4 15959 B13R1.158 CC(=O)NCCN1CCCCC1C 240690a_100000739827_100015343762 [0,1,0,1,0,0|2,0,0]=4 15960 B13R1.158 CC(=O)NCCN1CCCCC1C 269982a_100000211376_100000189650 [0,1,0,1,0,0|2,0,0]=4 15961 B13R1.158 CC(=O)NCCN1CCCCC1C 527a_100000739827_100103153847 [0,1,0,1,0,0|2,0,0]=4 15962 B13R1.158 CC(=O)OCCN1CCCCC1C 269982a_100000211376_100009814007 [0,1,0,1,0,0|2,0,0]=4 15963 B13R1.158 CC(=O)OCCN1CCCCC1C 34a_100000211376_100009814007 [0,1,0,1,0,0|2,0,0]=4 15964 B13R1.158 CC(=O)OCNC1CCCCC1C 34a_100000211402_100009813279 [0,1,0,1,0,0|2,0,0]=4 15965 B13R1.158 CC(=O)OCOC1CCCCC1C 34a_100000211207_100009813279 [0,1,0,1,0,0|2,0,0]=4 15966 B13R1.158 CC(O)CCCN1CCCCC1C 2230a_100000211376_200000718107 [0,1,0,1,0,0|1,0,1]=4 15967 B13R1.158 CC(O)CCCN1CCCCC1C 269982a_100000211376_200000718107 [0,1,0,1,0,0|1,0,1]=4 15968 B13R1.158 CC(O)CCCN1CCCCC1C 34a_100000211376_200000718107 [0,1,0,1,0,0|1,0,1]=4 15969 B13R1.158 CC(O)CCNC1CCCCC1C 2230a_100000211402_100012276601 [0,1,0,1,0,0|1,0,1]=4 15970 B13R1.158 CC(O)CCNC1CCCCC1C 269862a_200000755665_100000210921 [0,1,0,1,0,0|1,0,1]=4 15971 B13R1.158 CC(O)CCNC1CCCCC1C 270004a_200000755665_100000210921 [0,1,0,1,0,0|1,0,1]=4 15972 B13R1.158 CC(O)CCNC1CCCCC1C 34a_100000211402_100012276601 [0,1,0,1,0,0|1,0,1]=4 15973 B13R1.158 CC(O)CCOC1CCCCC1C 34a_100000211207_100012276601 [0,1,0,1,0,0|1,0,1]=4 15974 B13R1.158 CC(O)CCOC1CCCCC1C 7a_100000211207_100012276601 [0,1,0,1,0,0|1,0,1]=4 15975 B13R1.158 CC1CCCCC1NCCC(=O)N 2230a_100000211402_100000744528 [0,1,0,1,0,0|1,0,0]=3 15976 B13R1.158 CC1CCCCC1NCCC(=O)N 269862a_100000740010_100000210921 [0,1,0,1,0,0|1,0,0]=3 15977 B13R1.158 CC1CCCCC1NCCC(=O)N 34a_100000211402_100000731001 [0,1,0,1,0,0|1,0,0]=3 15978 B13R1.158 CC1CCCCC1OCCC(=O)N 34a_100000211207_100000731001 [0,1,0,1,0,0|1,0,0]=3 15979 B13R1.158 CC1CCCCC1OCCC(=O)N 7a_100000211207_100000744528 [0,1,0,1,0,0|1,0,0]=3 15980 B13R1.158 CC1CCCCN1CCCC(=O)N 269982a_100000211376_100102525003 [0,1,0,1,0,0|1,0,0]=3 15981 B13R1.158 CC1CCCCN1CCCC(=O)N 34a_100000211376_100102525003 [0,1,0,1,0,0|1,0,0]=3 15982 B13R1.158 CC1CCCCN1CCNC(=O)N 2230a_100000211376_200000034859 [0,1,0,1,0,0|2,0,0]=4 15983 B13R1.158 CC1CCCCN1CCNC(=O)N 269982a_100000211376_200000034859 [0,1,0,1,0,0|2,0,0]=4 15984 B13R1.158 CC1CCCCN1CCOC(=O)N 269982a_100000211376_200011214921 [0,1,0,1,0,0|2,0,0]=4 15985 B13R1.158 CC1CCCCN1CCOC(=O)N 34a_100000211376_200011214921 [0,1,0,1,0,0|2,0,0]=4 15986 B13R1.158 CC1CCNCC1OCCC(=O)N 34a_100000696640_100000731001 [0,1,0,1,0,0|2,0,0]=4 15987 B13R1.158 CC1CNCCC1OCCC(=O)N 34a_100011998114_100000731001 [0,1,0,1,0,0|2,0,0]=4 15988 B13R1.158 CN1CCCCC1CNCC(=O)N 34a_100011228421_100000187820 [0,1,0,1,0,0|2,0,0]=4 15989 B13R1.158 CN1CCCCC1CNCC(=O)O 269956a_100016091260_100015185383 [0,1,0,1,0,0|1,0,0]=3 15990 B13R1.158 CN1CCCCC1CNCC(=O)[O-] 34a_100011228421_100020667443 [0,1,0,1,0,0|1,0,1]=4 15991 B13R1.158 CN1CCCCC1COCC(=O)N 34a_100000225079_100000187820 [0,1,0,1,0,0|2,0,0]=4 15992 B13R1.158 CN1CCCCC1COCC(=O)[O-] 34a_100000225079_100020667443 [0,1,0,1,0,0|1,0,1]=4 15993 B13R1.158 CN1CCCCC1CSCC(=O)N 62a_100000747473_100015185383 [0,1,0,1,0,0|2,0,0]=4 15994 B13R1.158 CN1CCCCC1CSCC(=O)N 62a_100015185383_100000747473 [0,1,0,1,0,0|2,0,0]=4 15995 B13R1.158 CN1CCCCC1CSCC(=O)[O-] 62a_100015185383_100020667443 [0,1,0,1,0,0|1,0,1]=4 15996 B13R1.158 CN1CCCCC1CSCC(=O)[O-] 62a_100020667443_100015185383 [0,1,0,1,0,0|1,0,1]=4 15997 B13R1.158 C[C@H]1COCCN1CCCC(=O)N 269982a_100009815349_100102525003 [0,1,0,1,0,0|2,0,0]=4 15998 B13R1.158 C[C@H]1COCCN1CCCC(=O)N 34a_100009815349_100102525003 [0,1,0,1,0,0|2,0,0]=4 15999 B13R1.158 NC(=O)CCN[C@@H]1CCCC[C@H]1F 2230a_100015195156_100000744528 [0,1,0,1,0,0|2,0,0]=4 16000 B13R1.158 NC(=O)CCN[C@@H]1CCCC[C@H]1F 34a_100015195156_100000731001 [0,1,0,1,0,0|2,0,0]=4 16001 B13R1.158 NC(=O)CCOC1CCCCC1Cl 34a_100000038908_100000731001 [0,1,0,1,0,0|2,0,0]=4 16002 B13R1.158 NC(=O)CCOC1CCCCC1Cl 7a_100000038908_100000744528 [0,1,0,1,0,0|2,0,0]=4 16003 B13R1.158 NC(=O)CCOC1CCCCC1F 34a_100000757172_100015423560 [0,1,0,1,0,0|2,0,0]=4 16004 B13R1.158 NC(=O)CCOC1CCCCC1O 34a_100000757172_100000038908 [0,1,0,1,0,0|2,0,0]=4 16005 B13R1.158 NC(=O)CCO[C@@H]1CCCC[C@H]1F 34a_100009816020_100000731001 [0,1,0,1,0,0|2,0,0]=4 16006 B13R1.158 NC(=O)CCO[C@@H]1CCCC[C@H]1F 7a_100009816020_100000744528 [0,1,0,1,0,0|2,0,0]=4 16007 B13R1.158 NC(=O)CCO[C@H]1CCCC[C@H]1N 34a_100015191688_100000731001 [0,1,0,1,0,0|2,0,0]=4 16008 B13R1.158 NC(=O)CCSC1CCCCC1F 62a_100000744528_100015423560 [0,1,0,1,0,0|2,0,0]=4 16009 B13R1.158 NC(=O)CCSC1CCCCC1F 62a_100015423560_100000744528 [0,1,0,1,0,0|2,0,0]=4 16010 B13R1.158 NC(=O)CCSC1CCCCC1O 62a_100000038908_100000744528 [0,1,0,1,0,0|2,0,0]=4 16011 B13R1.158 NC(=O)CCSC1CCCCC1O 62a_100000744528_100000038908 [0,1,0,1,0,0|2,0,0]=4 16012 B13R1.158 NC(=O)CNCC1CCCCC1O 34a_100011216029_100000187820 [0,1,0,1,0,0|2,0,0]=4 16013 B13R1.158 O=C(O)CONC1CCCCC1F 269956a_100000106656_100015423560 [0,1,0,1,0,0|2,0,0]=4 16014 B13R1.158 O=C(O)CONC1CCCCC1O 269956a_100000106656_100000038908 [0,1,0,1,0,0|2,0,0]=4 16015 B13R1.158 O=C([O-])CNCC1CCCCC1O 34a_100011216029_100020667443 [0,1,0,1,0,0|1,0,1]=4 16016 B13R1.337 C=C(Br)CCOCC1CCCCC1 34a_100009813270_100000211423 [0,1,0,1,0,0|2,0,0]=4 16017 B13R1.337 C=C(C)CCNCC1CCCCC1 2230a_100000210473_100000730704 [0,1,0,1,0,0|2,0,0]=4 16018 B13R1.337 C=C(C)CCNCC1CCCCC1 34a_100000210473_100000730704 [0,1,0,1,0,0|2,0,0]=4 16019 B13R1.337 C=C(C)CCOCC1CCCCC1 34a_100000212181_100000730704 [0,1,0,1,0,0|2,0,0]=4 16020 B13R1.337 C=C(C)CCOCC1CCCCC1 34a_100000764851_100000211423 [0,1,0,1,0,0|2,0,0]=4 16021 B13R1.337 C=C(C)CCOCC1CCCCC1 7a_100000212181_100000730704 [0,1,0,1,0,0|2,0,0]=4 16022 B13R1.337 C=C(C)CCSCC1CCCCC1 62a_100000211423_100000730704 [0,1,0,1,0,0|2,0,0]=4 16023 B13R1.337 C=C(C)CCSCC1CCCCC1 62a_100000730704_100000211423 [0,1,0,1,0,0|2,0,0]=4 16024 B13R1.337 C=C(C)CNCCC1CCCCC1 2230a_100000738074_100000748629 [0,1,0,1,0,0|2,0,0]=4 16025 B13R1.337 C=C(C)CNCCC1CCCCC1 34a_100000738074_100000748629 [0,1,0,1,0,0|2,0,0]=4 16026 B13R1.337 C=C(C)COCCC1CCCCC1 34a_100000210245_100011209188 [0,1,0,1,0,0|2,0,0]=4 16027 B13R1.337 C=C(C)COCCC1CCCCC1 34a_100011217863_100000748629 [0,1,0,1,0,0|2,0,0]=4 16028 B13R1.337 C=C(C)COCCC1CCCCC1 7a_100011217863_100000748629 [0,1,0,1,0,0|2,0,0]=4 16029 B13R1.337 C=C(C)CSCCC1CCCCC1 62a_100000748629_100012355289 [0,1,0,1,0,0|2,0,0]=4 16030 B13R1.337 C=C(C)CSCCC1CCCCC1 62a_100012355289_100000211660 [0,1,0,1,0,0|2,0,0]=4 16031 B13R1.337 C=C(F)CNCCC1CCCCC1 2230a_100000738074_100009893438 [0,1,0,1,0,0|2,0,0]=4 16032 B13R1.337 C=C(F)CNCCC1CCCCC1 34a_100000738074_100009893438 [0,1,0,1,0,0|2,0,0]=4 16033 B13R1.337 C=C(F)COCCC1CCCCC1 34a_100011217863_100009893438 [0,1,0,1,0,0|2,0,0]=4 16034 B13R1.337 C=C(F)COCCC1CCCCC1 34a_200010262243_100011209188 [0,1,0,1,0,0|2,0,0]=4 16035 B13R1.337 C=C(F)COCCC1CCCCC1 7a_100011217863_100000042424 [0,1,0,1,0,0|2,0,0]=4 16036 B13R1.337 C=C(F)CSCCC1CCCCC1 62a_100000042424_100012355289 [0,1,0,1,0,0|2,0,0]=4 16037 B13R1.337 C=C(F)CSCCC1CCCCC1 62a_100012355289_100000042424 [0,1,0,1,0,0|2,0,0]=4 16038 B13R1.337 CC(=O)CCCCC1CCCCC1 1458a_200011215547_200000210301 [0,1,0,1,0,0|1,0,0]=3 16039 B13R1.337 CC(=O)CCCCN1CCCCC1 1458a_100000754417_200000210301 [0,1,0,1,0,0|1,0,0]=3 16040 B13R1.337 CC(=O)CCCCN1CCCOC1 269982a_100000131196_100000735457 [0,1,0,1,0,0|2,0,0]=4 16041 B13R1.337 CC(=O)CCCCN1CCCOC1 34a_100000131196_100009817362 [0,1,0,1,0,0|2,0,0]=4 16042 B13R1.337 CC(=O)CCCCN1CCOCC1 269982a_100015191051_100000735457 [0,1,0,1,0,0|2,0,0]=4 16043 B13R1.337 CC(=O)CCCCN1CCOCC1 34a_100015191051_100009817362 [0,1,0,1,0,0|2,0,0]=4 16044 B13R1.337 CC(=O)CCCCN1CCSCC1 269982a_100000737611_100000735457 [0,1,0,1,0,0|2,0,0]=4 16045 B13R1.337 CC(=O)CCCNC1CCCCC1 34a_100000182618_100000685027 [0,1,0,1,0,0|1,0,0]=3 16046 B13R1.337 CC(=O)CCCNC1CCCOC1 34a_100000719290_100000685027 [0,1,0,1,0,0|2,0,0]=4 16047 B13R1.337 CC(=O)CCCNC1CCOCC1 34a_100000741149_100000685027 [0,1,0,1,0,0|2,0,0]=4 16048 B13R1.337 CC(=O)CCCNC1CCSCC1 34a_100000748639_100000685027 [0,1,0,1,0,0|2,0,0]=4 16049 B13R1.337 CC(=O)CCCOC1CCCCC1 34a_100000210231_100000685027 [0,1,0,1,0,0|1,0,0]=3 16050 B13R1.337 CC(=O)CCCOC1CCCCC1 34a_100000759063_100000210327 [0,1,0,1,0,0|1,0,0]=3 16051 B13R1.337 CC(=O)CCCOC1CCCCC1 7a_100000210231_100011215641 [0,1,0,1,0,0|1,0,0]=3 16052 B13R1.337 CC(=O)CCCOC1CCCCC1 7a_100000759063_100000210327 [0,1,0,1,0,0|1,0,0]=3 16053 B13R1.337 CC(=O)CCCOC1CCCCO1 1458a_100000070787_100000700653 [0,1,0,1,0,0|2,0,0]=4 16054 B13R1.337 CC(=O)CCCOC1CCCCO1 34a_100000033831_100000685027 [0,1,0,1,0,0|2,0,0]=4 16055 B13R1.337 CC(=O)CCCOC1CCCOC1 34a_100000754041_100000685027 [0,1,0,1,0,0|2,0,0]=4 16056 B13R1.337 CC(=O)CCCOC1CCCOC1 34a_100000759063_100000693364 [0,1,0,1,0,0|2,0,0]=4 16057 B13R1.337 CC(=O)CCCOC1CCCOC1 7a_100000759063_100000693364 [0,1,0,1,0,0|2,0,0]=4 16058 B13R1.337 CC(=O)CCCOC1CCCSC1 7a_100015962668_100011215641 [0,1,0,1,0,0|2,0,0]=4 16059 B13R1.337 CC(=O)CCCOC1CCOCC1 34a_100000744328_100000685027 [0,1,0,1,0,0|2,0,0]=4 16060 B13R1.337 CC(=O)CCCOC1CCOCC1 7a_100000759063_100000686592 [0,1,0,1,0,0|2,0,0]=4 16061 B13R1.337 CC(=O)CCCOC1CCSCC1 34a_100000731022_100000685027 [0,1,0,1,0,0|2,0,0]=4 16062 B13R1.337 CC(=O)CCCOC1CCSCC1 34a_100000759063_100000069128 [0,1,0,1,0,0|2,0,0]=4 16063 B13R1.337 CC(=O)CCCOC1CCSCC1 7a_100000731022_100011215641 [0,1,0,1,0,0|2,0,0]=4 16064 B13R1.337 CC(=O)CCCOC1CCSCC1 7a_100000759063_100011500858 [0,1,0,1,0,0|2,0,0]=4 16065 B13R1.337 CC(=O)CCCSC1CCCCC1 62a_100000210327_100011215641 [0,1,0,1,0,0|1,0,0]=3 16066 B13R1.337 CC(=O)CCCSC1CCCCC1 62a_100011215641_100000210327 [0,1,0,1,0,0|1,0,0]=3 16067 B13R1.337 CC(=O)CCCSC1CCCOC1 62a_100011215641_100000693364 [0,1,0,1,0,0|2,0,0]=4 16068 B13R1.337 CC(=O)CCCSC1CCOCC1 62a_100011215641_100011324220 [0,1,0,1,0,0|2,0,0]=4 16069 B13R1.337 CC(=O)CCCSC1CCSCC1 62a_100011215641_100000069128 [0,1,0,1,0,0|2,0,0]=4 16070 B13R1.337 CC(=O)CCOCC1CCCCC1 34a_100000759926_100000211423 [0,1,0,1,0,0|1,0,0]=3 16071 B13R1.337 CC(=O)CCOCC1CCCCC1 7a_100000212181_100000053229 [0,1,0,1,0,0|1,0,0]=3 16072 B13R1.337 CC(=O)CCOCC1CCCCC1 7a_100000759926_100000211423 [0,1,0,1,0,0|1,0,0]=3 16073 B13R1.337 CC(=O)CCOCC1CCCCO1 34a_100000759926_100000211543 [0,1,0,1,0,0|2,0,0]=4 16074 B13R1.337 CC(=O)CCOCC1CCCCO1 7a_100000211370_100000053229 [0,1,0,1,0,0|2,0,0]=4 16075 B13R1.337 CC(=O)CCOCC1CCCCO1 7a_100000759926_100000211543 [0,1,0,1,0,0|2,0,0]=4 16076 B13R1.337 CC(=O)CCOCC1CCCOC1 34a_100000759926_100000741521 [0,1,0,1,0,0|2,0,0]=4 16077 B13R1.337 CC(=O)CCOCC1CCCOC1 7a_100000759926_100000741521 [0,1,0,1,0,0|2,0,0]=4 16078 B13R1.337 CC(=O)CCOCC1CCOCC1 34a_100000759926_100000754603 [0,1,0,1,0,0|2,0,0]=4 16079 B13R1.337 CC(=O)CCOCC1CCOCC1 7a_100000759926_100000754603 [0,1,0,1,0,0|2,0,0]=4 16080 B13R1.337 CC(=O)CCOCC1CCSCC1 7a_100000070558_100000053229 [0,1,0,1,0,0|2,0,0]=4 16081 B13R1.337 CC(=O)CCSCC1CCCCC1 62a_100000053229_100000211423 [0,1,0,1,0,0|1,0,0]=3 16082 B13R1.337 CC(=O)CCSCC1CCCCC1 62a_100000211423_100000053229 [0,1,0,1,0,0|1,0,0]=3 16083 B13R1.337 CC(=O)CCSCC1CCCCO1 62a_100000053229_100000211543 [0,1,0,1,0,0|2,0,0]=4 16084 B13R1.337 CC(=O)CCSCC1CCCCO1 62a_100000211543_100000053229 [0,1,0,1,0,0|2,0,0]=4 16085 B13R1.337 CC(=O)CCSCC1CCCOC1 62a_100000053229_100000741521 [0,1,0,1,0,0|2,0,0]=4 16086 B13R1.337 CC(=O)CCSCC1CCCOC1 62a_100000741521_100000053229 [0,1,0,1,0,0|2,0,0]=4 16087 B13R1.337 CC(=O)CCSCC1CCOCC1 62a_100000053229_100000749018 [0,1,0,1,0,0|2,0,0]=4 16088 B13R1.337 CC(=O)CCSCC1CCOCC1 62a_100000754603_100000053229 [0,1,0,1,0,0|2,0,0]=4 16089 B13R1.337 CC(=O)COCCC1CCCCC1 34a_100000211253_100011209188 [0,1,0,1,0,0|1,0,0]=3 16090 B13R1.337 CC(=O)COCCC1CCOCC1 34a_100000211253_100011934994 [0,1,0,1,0,0|2,0,0]=4 16091 B13R1.337 CC(=O)COCCN1CCCCC1 34a_100000211253_100000739454 [0,1,0,1,0,0|2,0,0]=4 16092 B13R1.337 CC(=O)COCOC1CCCCC1 34a_100000211253_100011935260 [0,1,0,1,0,0|2,0,0]=4 16093 B13R1.337 CC(=O)NCCCC1CCCCC1 11a_100011211642_100015343762 [0,1,0,1,0,0|1,0,0]=3 16094 B13R1.337 CC(=O)NCCCC1CCCCC1 1626a_100011211642_100015343762 [0,1,0,1,0,0|1,0,0]=3 16095 B13R1.337 CC(=O)NCCCC1CCCCC1 240690a_100011211642_100015343762 [0,1,0,1,0,0|1,0,0]=3 16096 B13R1.337 CC(=O)NCCCC1CCCCC1 527a_100011211642_100103153847 [0,1,0,1,0,0|1,0,0]=3 16097 B13R1.337 CC(=O)NCCCN1CCCCC1 240690a_100000204581_100015343762 [0,1,0,1,0,0|2,0,0]=4 16098 B13R1.337 CC(=O)NCCCN1CCCCC1 527a_100000204581_100103153847 [0,1,0,1,0,0|2,0,0]=4 16099 B13R1.337 CC(=O)NCCNC1CCCCC1 2230a_100000182618_100000189650 [0,1,0,1,0,0|2,0,0]=4 16100 B13R1.337 CC(=O)NCCOC1CCCCC1 11a_100015206981_100015343762 [0,1,0,1,0,0|2,0,0]=4 16101 B13R1.337 CC(=O)NCCOC1CCCCC1 1626a_100015206981_100015343762 [0,1,0,1,0,0|2,0,0]=4 16102 B13R1.337 CC(=O)NCCOC1CCCCC1 240690a_100015206981_100015343762 [0,1,0,1,0,0|2,0,0]=4 16103 B13R1.337 CC(=O)NCCOC1CCCCC1 34a_100000158858_100000210327 [0,1,0,1,0,0|2,0,0]=4 16104 B13R1.337 CC(=O)NCCOC1CCCCC1 527a_100015206981_100103153847 [0,1,0,1,0,0|2,0,0]=4 16105 B13R1.337 CC(=O)NCCOC1CCCCC1 7a_100000210231_100000189650 [0,1,0,1,0,0|2,0,0]=4 16106 B13R1.337 CC(=O)NCCSC1CCCCC1 62a_100000189650_100000210327 [0,1,0,1,0,0|2,0,0]=4 16107 B13R1.337 CC(=O)NCCSC1CCCCC1 62a_100000210327_100000189650 [0,1,0,1,0,0|2,0,0]=4 16108 B13R1.337 CC(=O)OCCNC1CCCCC1 34a_100000182618_100009814007 [0,1,0,1,0,0|2,0,0]=4 16109 B13R1.337 CC(=O)OCCOC1CCCCC1 34a_100000210231_100009814007 [0,1,0,1,0,0|2,0,0]=4 16110 B13R1.337 CC(=O)OCCOC1CCCCC1 7a_100000210231_100009814007 [0,1,0,1,0,0|2,0,0]=4 16111 B13R1.337 CC(=O)OCCSC1CCCCC1 62a_100000210327_100009814007 [0,1,0,1,0,0|2,0,0]=4 16112 B13R1.337 CC(=O)OCCSC1CCCCC1 62a_100009814007_100000210327 [0,1,0,1,0,0|2,0,0]=4 16113 B13R1.337 CC(=O)OCNCC1CCCCC1 34a_100000210473_100009813279 [0,1,0,1,0,0|2,0,0]=4 16114 B13R1.337 CC(=O)OCOCC1CCCCC1 34a_100000212181_100009813279 [0,1,0,1,0,0|2,0,0]=4 16115 B13R1.337 CC(=O)OCSCC1CCCCC1 62a_100000076356_100000211423 [0,1,0,1,0,0|2,0,0]=4 16116 B13R1.337 CC(=O)OCSCC1CCCCC1 62a_100000211423_100000076356 [0,1,0,1,0,0|2,0,0]=4 16117 B13R1.337 CC(O)CCCNC1CCCCC1 2230a_100000182618_200000718107 [0,1,0,1,0,0|1,0,1]=4 16118 B13R1.337 CC(O)CCCNC1CCCCC1 34a_100000182618_200000718107 [0,1,0,1,0,0|1,0,1]=4 16119 B13R1.337 CC(O)CCCOC1CCCCC1 34a_100000210231_200000718107 [0,1,0,1,0,0|1,0,1]=4 16120 B13R1.337 CC(O)CCCOC1CCCCC1 7a_100000210231_200000718107 [0,1,0,1,0,0|1,0,1]=4 16121 B13R1.337 CC(O)CCCSC1CCCCC1 62a_100000210327_200000718107 [0,1,0,1,0,0|1,0,1]=4 16122 B13R1.337 CC(O)CCCSC1CCCCC1 62a_200000718107_100000210327 [0,1,0,1,0,0|1,0,1]=4 16123 B13R1.337 CC(O)CCNCC1CCCCC1 2230a_100000210473_100012276601 [0,1,0,1,0,0|1,0,1]=4 16124 B13R1.337 CC(O)CCNCC1CCCCC1 2230a_200000755665_100000211423 [0,1,0,1,0,0|1,0,1]=4 16125 B13R1.337 CC(O)CCNCC1CCCCC1 269862a_200000755665_100000211278 [0,1,0,1,0,0|1,0,1]=4 16126 B13R1.337 CC(O)CCNCC1CCCCC1 34a_100000210473_100012276601 [0,1,0,1,0,0|1,0,1]=4 16127 B13R1.337 CC(O)CCOCC1CCCCC1 34a_100000212181_100012276601 [0,1,0,1,0,0|1,0,1]=4 16128 B13R1.337 CC(O)CCOCC1CCCCC1 7a_100000212181_100012276601 [0,1,0,1,0,0|1,0,1]=4 16129 B13R1.337 CC(O)CCSCC1CCCCC1 62a_100000211423_100012276601 [0,1,0,1,0,0|1,0,1]=4 16130 B13R1.337 CC(O)CCSCC1CCCCC1 62a_100012276601_100000211423 [0,1,0,1,0,0|1,0,1]=4 16131 B13R1.337 CC(O)CNCCC1CCCCC1 2230a_100000210904_100012355289 [0,1,0,1,0,0|1,0,1]=4 16132 B13R1.337 CC(O)CNCCC1CCCCC1 2230a_100000738074_100011218427 [0,1,0,1,0,0|1,0,1]=4 16133 B13R1.337 CC(O)CNCCC1CCCCC1 270004a_100000210904_100011713444 [0,1,0,1,0,0|1,0,1]=4 16134 B13R1.337 CC(O)CNCCC1CCCCC1 34a_100000210904_100011209188 [0,1,0,1,0,0|1,0,1]=4 16135 B13R1.337 CC(O)CNCCC1CCCCC1 34a_100000738074_100011218427 [0,1,0,1,0,0|1,0,1]=4 16136 B13R1.337 CC(O)COCCC1CCCCC1 34a_100011217863_100011218427 [0,1,0,1,0,0|1,0,1]=4 16137 B13R1.337 CC(O)COCCC1CCCCC1 7a_100011217863_100011218427 [0,1,0,1,0,0|1,0,1]=4 16138 B13R1.337 CC(O)CSCCC1CCCCC1 62a_100011218427_100012355289 [0,1,0,1,0,0|1,0,1]=4 16139 B13R1.337 CC(O)CSCCC1CCCCC1 62a_100012355289_100011218427 [0,1,0,1,0,0|1,0,1]=4 16140 B13R1.337 CS(=O)CCCNC1CCCCC1 270004a_200000753449_100000210434 [0,1,0,1,0,0|2,0,0]=4 16141 B13R1.337 C[C@@H](O)CNCCC1CCCCC1 2230a_100000738074_100009817552 [0,1,0,1,0,0|1,0,1]=4 16142 B13R1.337 C[C@@H](O)CNCCC1CCCCC1 34a_100000738074_100009817552 [0,1,0,1,0,0|1,0,1]=4 16143 B13R1.337 C[C@@H](O)COCCC1CCCCC1 34a_100011217863_100009817552 [0,1,0,1,0,0|1,0,1]=4 16144 B13R1.337 C[C@@H](O)COCCC1CCCCC1 7a_100011217863_100009817552 [0,1,0,1,0,0|1,0,1]=4 16145 B13R1.337 C[C@@H](O)CSCCC1CCCCC1 62a_100009817552_100012355289 [0,1,0,1,0,0|1,0,1]=4 16146 B13R1.337 C[C@@H](O)CSCCC1CCCCC1 62a_100012355289_100009817552 [0,1,0,1,0,0|1,0,1]=4 16147 B13R1.337 NC(=O)CCCNC1CCCCC1 34a_100000182618_100102525003 [0,1,0,1,0,0|1,0,0]=3 16148 B13R1.337 NC(=O)CCCNC1CCCCC1 34a_100000739312_100000210327 [0,1,0,1,0,0|1,0,0]=3 16149 B13R1.337 NC(=O)CCCNC1CCCOC1 34a_100000719290_100102525003 [0,1,0,1,0,0|2,0,0]=4 16150 B13R1.337 NC(=O)CCCNC1CCCOC1 34a_100000739312_100000693364 [0,1,0,1,0,0|2,0,0]=4 16151 B13R1.337 NC(=O)CCCNC1CCOCC1 34a_100000741149_100102525003 [0,1,0,1,0,0|2,0,0]=4 16152 B13R1.337 NC(=O)CCCNC1CCSCC1 34a_100000739312_100000069128 [0,1,0,1,0,0|2,0,0]=4 16153 B13R1.337 NC(=O)CCCNC1CCSCC1 34a_100000748639_100102525003 [0,1,0,1,0,0|2,0,0]=4 16154 B13R1.337 NC(=O)CCCOC1CCCCC1 34a_100000210231_100102525003 [0,1,0,1,0,0|1,0,0]=3 16155 B13R1.337 NC(=O)CCCOC1CCCCC1 7a_100000210231_100102525003 [0,1,0,1,0,0|1,0,0]=3 16156 B13R1.337 NC(=O)CCCOC1CCCCO1 34a_100000033831_100102525003 [0,1,0,1,0,0|2,0,0]=4 16157 B13R1.337 NC(=O)CCCOC1CCCOC1 34a_100000754041_100102525003 [0,1,0,1,0,0|2,0,0]=4 16158 B13R1.337 NC(=O)CCCOC1CCCSC1 7a_100015962668_100102525003 [0,1,0,1,0,0|2,0,0]=4 16159 B13R1.337 NC(=O)CCCOC1CCOCC1 34a_100000744328_100102525003 [0,1,0,1,0,0|2,0,0]=4 16160 B13R1.337 NC(=O)CCCOC1CCSCC1 34a_100000731022_100102525003 [0,1,0,1,0,0|2,0,0]=4 16161 B13R1.337 NC(=O)CCCOC1CCSCC1 7a_100000731022_100102525003 [0,1,0,1,0,0|2,0,0]=4 16162 B13R1.337 NC(=O)CCCSC1CCCCC1 62a_100000210327_100102525003 [0,1,0,1,0,0|1,0,0]=3 16163 B13R1.337 NC(=O)CCCSC1CCCCC1 62a_100102525003_100000210327 [0,1,0,1,0,0|1,0,0]=3 16164 B13R1.337 NC(=O)CCCSC1CCCOC1 62a_100102525003_100000693364 [0,1,0,1,0,0|2,0,0]=4 16165 B13R1.337 NC(=O)CCCSC1CCOCC1 62a_100102525003_100011324220 [0,1,0,1,0,0|2,0,0]=4 16166 B13R1.337 NC(=O)CCCSC1CCSCC1 62a_100102525003_100000069128 [0,1,0,1,0,0|2,0,0]=4 16167 B13R1.337 NC(=O)CCNCC1CCCCC1 2230a_100000210473_100000744528 [0,1,0,1,0,0|1,0,0]=3 16168 B13R1.337 NC(=O)CCNCC1CCCCC1 269862a_100000740010_100000211278 [0,1,0,1,0,0|1,0,0]=3 16169 B13R1.337 NC(=O)CCNCC1CCCCC1 34a_100000210473_100000731001 [0,1,0,1,0,0|1,0,0]=3 16170 B13R1.337 NC(=O)CCNCC1CCCCO1 2230a_100000174945_100000744528 [0,1,0,1,0,0|2,0,0]=4 16171 B13R1.337 NC(=O)CCNCC1CCCCO1 34a_100000174945_100000731001 [0,1,0,1,0,0|2,0,0]=4 16172 B13R1.337 NC(=O)CCNCC1CCCOC1 2230a_100000720124_100000744528 [0,1,0,1,0,0|2,0,0]=4 16173 B13R1.337 NC(=O)CCNCC1CCCOC1 34a_100000720124_100000731001 [0,1,0,1,0,0|2,0,0]=4 16174 B13R1.337 NC(=O)CCNCC1CCOCC1 2230a_100000746373_100000744528 [0,1,0,1,0,0|2,0,0]=4 16175 B13R1.337 NC(=O)CCNCC1CCOCC1 269862a_100000740010_100000749017 [0,1,0,1,0,0|2,0,0]=4 16176 B13R1.337 NC(=O)CCNCC1CCOCC1 34a_100000746373_100000731001 [0,1,0,1,0,0|2,0,0]=4 16177 B13R1.337 NC(=O)CCNCC1CCSCC1 2230a_100015188806_100000744528 [0,1,0,1,0,0|2,0,0]=4 16178 B13R1.337 NC(=O)CCNCC1CCSCC1 269862a_100000740010_100000067145 [0,1,0,1,0,0|2,0,0]=4 16179 B13R1.337 NC(=O)CCNCC1CCSCC1 34a_100015188806_100000731001 [0,1,0,1,0,0|2,0,0]=4 16180 B13R1.337 NC(=O)CCOCC1CCCCC1 34a_100000212181_100000731001 [0,1,0,1,0,0|1,0,0]=3 16181 B13R1.337 NC(=O)CCOCC1CCCCC1 34a_100000757172_100000211423 [0,1,0,1,0,0|1,0,0]=3 16182 B13R1.337 NC(=O)CCOCC1CCCCC1 7a_100000212181_100000744528 [0,1,0,1,0,0|1,0,0]=3 16183 B13R1.337 NC(=O)CCOCC1CCCCC1 7a_100000757172_100000211423 [0,1,0,1,0,0|1,0,0]=3 16184 B13R1.337 NC(=O)CCOCC1CCCCN1 34a_100000210821_100000731001 [0,1,0,1,0,0|2,0,0]=4 16185 B13R1.337 NC(=O)CCOCC1CCCCO1 34a_100000211370_100000731001 [0,1,0,1,0,0|2,0,0]=4 16186 B13R1.337 NC(=O)CCOCC1CCCCO1 34a_100000757172_100000211543 [0,1,0,1,0,0|2,0,0]=4 16187 B13R1.337 NC(=O)CCOCC1CCCCO1 7a_100000211370_100000744528 [0,1,0,1,0,0|2,0,0]=4 16188 B13R1.337 NC(=O)CCOCC1CCCCO1 7a_100000757172_100000211543 [0,1,0,1,0,0|2,0,0]=4 16189 B13R1.337 NC(=O)CCOCC1CCCNC1 34a_100000211344_100000731001 [0,1,0,1,0,0|2,0,0]=4 16190 B13R1.337 NC(=O)CCOCC1CCCOC1 34a_100000741520_100000731001 [0,1,0,1,0,0|2,0,0]=4 16191 B13R1.337 NC(=O)CCOCC1CCCOC1 34a_100000757172_100000741521 [0,1,0,1,0,0|2,0,0]=4 16192 B13R1.337 NC(=O)CCOCC1CCCOC1 7a_100000757172_100000741521 [0,1,0,1,0,0|2,0,0]=4 16193 B13R1.337 NC(=O)CCOCC1CCNCC1 34a_100000738675_100000731001 [0,1,0,1,0,0|2,0,0]=4 16194 B13R1.337 NC(=O)CCOCC1CCOCC1 34a_100000749013_100000731001 [0,1,0,1,0,0|2,0,0]=4 16195 B13R1.337 NC(=O)CCOCC1CCOCC1 34a_100000757172_100000754603 [0,1,0,1,0,0|2,0,0]=4 16196 B13R1.337 NC(=O)CCOCC1CCOCC1 7a_100000757172_100000754603 [0,1,0,1,0,0|2,0,0]=4 16197 B13R1.337 NC(=O)CCOCC1CCSCC1 34a_100000070558_100000731001 [0,1,0,1,0,0|2,0,0]=4 16198 B13R1.337 NC(=O)CCOCC1CCSCC1 7a_100000070558_100000744528 [0,1,0,1,0,0|2,0,0]=4 16199 B13R1.337 NC(=O)CCSCC1CCCCC1 62a_100000211423_100000744528 [0,1,0,1,0,0|1,0,0]=3 16200 B13R1.337 NC(=O)CCSCC1CCCCC1 62a_100000744528_100000211423 [0,1,0,1,0,0|1,0,0]=3 16201 B13R1.337 NC(=O)CCSCC1CCCCO1 62a_100000211543_100000744528 [0,1,0,1,0,0|2,0,0]=4 16202 B13R1.337 NC(=O)CCSCC1CCCCO1 62a_100000744528_100000211543 [0,1,0,1,0,0|2,0,0]=4 16203 B13R1.337 NC(=O)CCSCC1CCCOC1 62a_100000741521_100000744528 [0,1,0,1,0,0|2,0,0]=4 16204 B13R1.337 NC(=O)CCSCC1CCCOC1 62a_100000744528_100000741521 [0,1,0,1,0,0|2,0,0]=4 16205 B13R1.337 NC(=O)CCSCC1CCOCC1 62a_100000744528_100000749018 [0,1,0,1,0,0|2,0,0]=4 16206 B13R1.337 NC(=O)CCSCC1CCOCC1 62a_100000754603_100000744528 [0,1,0,1,0,0|2,0,0]=4 16207 B13R1.337 NC(=O)CNCCC1CCCCC1 2230a_100000711301_100012355289 [0,1,0,1,0,0|1,0,0]=3 16208 B13R1.337 NC(=O)CNCCC1CCCCC1 2230a_100000738074_100000747473 [0,1,0,1,0,0|1,0,0]=3 16209 B13R1.337 NC(=O)CNCCC1CCCCC1 34a_100000738074_100000187820 [0,1,0,1,0,0|1,0,0]=3 16210 B13R1.337 NC(=O)CNCCC1CCCCO1 2230a_100015183643_100000747473 [0,1,0,1,0,0|2,0,0]=4 16211 B13R1.337 NC(=O)CNCCC1CCCCO1 34a_100015183643_100000187820 [0,1,0,1,0,0|2,0,0]=4 16212 B13R1.337 NC(=O)CNCCC1CCOCC1 2230a_100000711301_100011934994 [0,1,0,1,0,0|2,0,0]=4 16213 B13R1.337 NC(=O)CNCCC1CCOCC1 2230a_100000755988_100000747473 [0,1,0,1,0,0|2,0,0]=4 16214 B13R1.337 NC(=O)CNCCC1CCOCC1 34a_100000755988_100000187820 [0,1,0,1,0,0|2,0,0]=4 16215 B13R1.337 NC(=O)CNCCN1CCCCC1 2230a_100000711301_100000739454 [0,1,0,1,0,0|2,0,0]=4 16216 B13R1.337 NC(=O)CNCOC1CCCCC1 2230a_100000711301_100011935260 [0,1,0,1,0,0|2,0,0]=4 16217 B13R1.337 NC(=O)COCCC1CCCCC1 34a_100011217863_100000187820 [0,1,0,1,0,0|1,0,0]=3 16218 B13R1.337 NC(=O)COCCC1CCCCC1 7a_100011217863_100000187820 [0,1,0,1,0,0|1,0,0]=3 16219 B13R1.337 NC(=O)COCCC1CCCCN1 34a_100000211664_100000187820 [0,1,0,1,0,0|2,0,0]=4 16220 B13R1.337 NC(=O)COCCC1CCCNC1 34a_100000752241_100000187820 [0,1,0,1,0,0|2,0,0]=4 16221 B13R1.337 NC(=O)COCCC1CCNCC1 34a_100015190746_100000187820 [0,1,0,1,0,0|2,0,0]=4 16222 B13R1.337 NC(=O)COCCC1CCOCC1 34a_100011933979_100000187820 [0,1,0,1,0,0|2,0,0]=4 16223 B13R1.337 NC(=O)COCCC1CCOCC1 7a_100011933979_100000187820 [0,1,0,1,0,0|2,0,0]=4 16224 B13R1.337 NC(=O)CSCCC1CCCCC1 62a_100000747473_100012355289 [0,1,0,1,0,0|1,0,0]=3 16225 B13R1.337 NC(=O)CSCCC1CCCCC1 62a_100012355289_100000747473 [0,1,0,1,0,0|1,0,0]=3 16226 B13R1.337 NC(=O)CSCCC1CCOCC1 62a_100000747473_100011934994 [0,1,0,1,0,0|2,0,0]=4 16227 B13R1.337 NC(=O)CSCCC1CCOCC1 62a_100011934994_100000747473 [0,1,0,1,0,0|2,0,0]=4 16228 B13R1.337 NC(=O)CSCCN1CCCCC1 62a_100000739454_100000747473 [0,1,0,1,0,0|2,0,0]=4 16229 B13R1.337 NC(=O)CSCCN1CCCCC1 62a_100000747473_100000739454 [0,1,0,1,0,0|2,0,0]=4 16230 B13R1.337 NC(=O)CSCOC1CCCCC1 62a_100000747473_100011935260 [0,1,0,1,0,0|2,0,0]=4 16231 B13R1.337 NC(=O)CSCOC1CCCCC1 62a_100011935260_100000747473 [0,1,0,1,0,0|2,0,0]=4 16232 B13R1.337 NC(=O)NCCNC1CCCCC1 2230a_100000182618_200000034859 [0,1,0,1,0,0|2,0,0]=4 16233 B13R1.337 NC(=O)NCCNC1CCCCC1 34a_100020590234_100000210327 [0,1,0,1,0,0|2,0,0]=4 16234 B13R1.337 NC(=O)NCCOC1CCCCC1 34a_100000181757_100000210327 [0,1,0,1,0,0|2,0,0]=4 16235 B13R1.337 NC(=O)NCCOC1CCCCC1 7a_100000210231_200000034859 [0,1,0,1,0,0|2,0,0]=4 16236 B13R1.337 NC(=O)NCCSC1CCCCC1 62a_100000210327_200000034859 [0,1,0,1,0,0|2,0,0]=4 16237 B13R1.337 NC(=O)NCCSC1CCCCC1 62a_200000034859_100000210327 [0,1,0,1,0,0|2,0,0]=4 16238 B13R1.337 NC(=O)OCCNC1CCCCC1 34a_100000182618_200011214921 [0,1,0,1,0,0|2,0,0]=4 16239 B13R1.337 NC(=O)OCCOC1CCCCC1 34a_100000210231_200011214921 [0,1,0,1,0,0|2,0,0]=4 16240 B13R1.337 NC(=O)OCCOC1CCCCC1 7a_100000210231_200011214921 [0,1,0,1,0,0|2,0,0]=4 16241 B13R1.337 NC(=O)OCCOC1CCCCC1 7a_100000766696_100000210327 [0,1,0,1,0,0|2,0,0]=4 16242 B13R1.337 NC(=O)OCCSC1CCCCC1 62a_100000210327_200011214921 [0,1,0,1,0,0|2,0,0]=4 16243 B13R1.337 NC(=O)OCCSC1CCCCC1 62a_200011214921_100000210327 [0,1,0,1,0,0|2,0,0]=4 16244 B13R1.337 O=C(O)CNCCC1CCCCC1 269956a_100016091260_100011273959 [0,1,0,1,0,0|0,0,0]=2 16245 B13R1.337 O=C(O)CNCCC1CCOCC1 269956a_100016091260_100011934994 [0,1,0,1,0,0|1,0,0]=3 16246 B13R1.337 O=C(O)CNCCC1OCCCO1 269956a_100016091260_100000764188 [0,1,0,1,0,0|2,0,0]=4 16247 B13R1.337 O=C(O)CNCCN1CCCCC1 269956a_100016091260_100000739454 [0,1,0,1,0,0|1,0,0]=3 16248 B13R1.337 O=C(O)CNCCN1CCOCC1 269956a_100016091260_100000753993 [0,1,0,1,0,0|2,0,0]=4 16249 B13R1.337 O=C(O)CNCOC1CCCCC1 269956a_100016091260_100011935260 [0,1,0,1,0,0|1,0,0]=3 16250 B13R1.337 O=C(O)CONCC1CCCCC1 269956a_100000106656_100000211423 [0,1,0,1,0,0|1,0,0]=3 16251 B13R1.337 O=C(O)CONCC1CCCCO1 269956a_100000106656_100000211543 [0,1,0,1,0,0|2,0,0]=4 16252 B13R1.337 O=C(O)CONCC1CCCOC1 269956a_100000106656_100000741521 [0,1,0,1,0,0|2,0,0]=4 16253 B13R1.337 O=C(O)CONCC1CCOCC1 269956a_100000106656_100000754603 [0,1,0,1,0,0|2,0,0]=4 16254 B13R1.337 O=C([O-])CNCCC1CCCCC1 34a_100000738074_100020667443 [0,1,0,1,0,0|0,0,1]=3 16255 B13R1.337 O=C([O-])CNCCC1CCCCO1 34a_100015183643_100020667443 [0,1,0,1,0,0|1,0,1]=4 16256 B13R1.337 O=C([O-])CNCCC1CCOCC1 34a_100000755988_100020667443 [0,1,0,1,0,0|1,0,1]=4 16257 B13R1.337 O=C([O-])COCCC1CCCCC1 34a_100011217863_100020667443 [0,1,0,1,0,0|0,0,1]=3 16258 B13R1.337 O=C([O-])COCCC1CCCCN1 34a_100000211664_100020667443 [0,1,0,1,0,0|1,0,1]=4 16259 B13R1.337 O=C([O-])COCCC1CCCNC1 34a_100000752241_100020667443 [0,1,0,1,0,0|1,0,1]=4 16260 B13R1.337 O=C([O-])COCCC1CCNCC1 34a_100015190746_100020667443 [0,1,0,1,0,0|1,0,1]=4 16261 B13R1.337 O=C([O-])COCCC1CCOCC1 34a_100011933979_100020667443 [0,1,0,1,0,0|1,0,1]=4 16262 B13R1.337 O=C([O-])CSCCC1CCCCC1 62a_100012355289_100020667443 [0,1,0,1,0,0|0,0,1]=3 16263 B13R1.337 O=C([O-])CSCCC1CCCCC1 62a_100020667443_100012355289 [0,1,0,1,0,0|0,0,1]=3 16264 B13R1.337 O=C([O-])CSCCC1CCOCC1 62a_100011934994_100020667443 [0,1,0,1,0,0|1,0,1]=4 16265 B13R1.337 O=C([O-])CSCCC1CCOCC1 62a_100020667443_100011934994 [0,1,0,1,0,0|1,0,1]=4 16266 B13R1.337 O=C([O-])CSCCN1CCCCC1 62a_100000739454_100020667443 [0,1,0,1,0,0|1,0,1]=4 16267 B13R1.337 O=C([O-])CSCCN1CCCCC1 62a_100020667443_100000739454 [0,1,0,1,0,0|1,0,1]=4 16268 B13R1.337 O=C([O-])CSCOC1CCCCC1 62a_100011935260_100020667443 [0,1,0,1,0,0|1,0,1]=4 16269 B13R1.337 O=C([O-])CSCOC1CCCCC1 62a_100020667443_100011935260 [0,1,0,1,0,0|1,0,1]=4 16270 B13R1.337 O=[N+]([O-])CCCOC1CCCCC1 34a_200000037920_100000210327 [0,1,0,1,0,0|1,0,1]=4 16271 B13R1.337 O=[N+]([O-])CNCCC1CCCCC1 34a_100000738074_100000761209 [0,1,0,1,0,0|1,0,1]=4 16272 B13R1.337 O=[N+]([O-])COCCC1CCCCC1 34a_100011217863_100000761209 [0,1,0,1,0,0|1,0,1]=4 16273 B13R1.337 O=[N+]([O-])CSCCC1CCCCC1 62a_100012355289_100000761209 [0,1,0,1,0,0|1,0,1]=4 16274 B13R1.337 [13CH3]C(=O)CCCCC1CCCCC1 1458a_200011215547_200025704644 [0,1,0,1,0,0|1,0,0]=3 16275 B13R1.337 [13CH3]C(=O)CCCCN1CCCCC1 1458a_100000754417_200025704644 [0,1,0,1,0,0|1,0,0]=3 16276 B13R1.568 CCCCN1CCCC(C1)C(=O)N 2230a_100000195536_100000210211 [0,1,0,1,0,0|2,0,0]=4 16277 B13R1.568 CCCCN1CCCC(C1)C(=O)N 269982a_100000195536_100000210211 [0,1,0,1,0,0|2,0,0]=4 16278 B13R1.568 CCCCN1CCCC(C1)C(=O)N 34a_100000195536_100000210210 [0,1,0,1,0,0|2,0,0]=4 16279 B13R1.568 CCCNC1CCCC(C1)C(=O)N 2230a_100000749473_100000210303 [0,1,0,1,0,0|2,0,0]=4 16280 B13R1.568 CCCNC1CCCC(C1)C(=O)N 34a_100000749473_100000210303 [0,1,0,1,0,0|2,0,0]=4 16281 B13R1.568 CCCNC1CCCC(C1)C(=O)O 269956a_100011216634_100000210207 [0,1,0,1,0,0|1,0,0]=3 16282 B13R1.568 COCNC1CCCC(C1)C(=O)O 269956a_100011216634_100000766300 [0,1,0,1,0,0|2,0,0]=4 16283 B13R1.568 CSCNC1CCCC(C1)C(=O)O 269956a_100011216634_100011218213 [0,1,0,1,0,0|2,0,0]=4 16284 B13R1.568 O=C(O)C1CCCC(C1)NCCF 269956a_100011216634_100011217306 [0,1,0,1,0,0|2,0,0]=4 16285 B13R1.568 O=C(O)C1CCCC(C1)NCCO 269956a_100011216634_100000211926 [0,1,0,1,0,0|2,0,0]=4 16286 B13R1.637 CCC1CN(C1)CCCCC(=O)C 269982a_100015205115_100000735457 [0,1,0,1,0,0|2,0,0]=4 16287 B13R1.678 CCCCC(C)NCC1CC(=O)C1 2230a_100000126638_100009874392 [0,1,0,1,0,0|2,0,0]=4 16288 B13R1.678 CCCCC(C)OCC1CC(=O)C1 34a_100000101936_200011215066 [0,1,0,1,0,0|2,0,0]=4 16289 B13R1.678 CCCCC(C)OCC1CC(=O)C1 7a_100000687866_100009874392 [0,1,0,1,0,0|2,0,0]=4 16290 B13R1.678 CCCCC(C)SCC1CC(=O)C1 62a_100009874392_200011215066 [0,1,0,1,0,0|2,0,0]=4 16291 B13R1.678 CCCCC(C)SCC1CC(=O)C1 62a_200011215066_100009874392 [0,1,0,1,0,0|2,0,0]=4 16292 B13R1.809 CC(=O)CCCCC(=O)C1CC1C 1458a_100000211227_100000735457 [0,1,0,1,0,0|1,0,1]=4 16293 B13R1.893 CC1CCC(C(C1)OCC(=O)N)C 34a_100011217446_100000187820 [0,1,0,1,0,0|2,0,0]=4 16294 B13R1.893 CC1CCC(C(C1)OCC(=O)N)C 7a_100011217446_100000187820 [0,1,0,1,0,0|2,0,0]=4 16295 B13R1.893 CC1CCC(C(C1)OCC(=O)[O-])C 34a_100011217446_100020667443 [0,1,0,1,0,0|1,0,1]=4 16296 B13R1.1042 CC(=O)CCCCC(=O)C1CCC1 1458a_100000209988_100000735457 [0,1,0,1,0,0|1,0,1]=4 16297 B13R1.1042 CC(=O)CCCCN(C)C1CCC1 269982a_100000758072_100000735457 [0,1,0,1,0,0|2,0,0]=4 16298 B13R1.1042 CC(=O)CCCCN(C)C1CCC1 34a_100000758072_100009817362 [0,1,0,1,0,0|2,0,0]=4 16299 B13R1.1042 CC(=O)CCCNC(C)C1CCC1 34a_100016994624_100000685027 [0,1,0,1,0,0|2,0,0]=4 16300 B13R1.1042 CC(=O)CCCOC(C)C1CCC1 34a_100000766398_100000685027 [0,1,0,1,0,0|2,0,0]=4 16301 B13R1.1042 CC(=O)CCCOC(C)C1CCC1 7a_100000766398_100011215641 [0,1,0,1,0,0|2,0,0]=4 16302 B13R1.1042 CC(NCCCC(=O)N)C1CCC1 269862a_100000739312_100000760154 [0,1,0,1,0,0|2,0,0]=4 16303 B13R1.1042 CC(NCCCC(=O)N)C1CCC1 34a_100016994624_100102525003 [0,1,0,1,0,0|2,0,0]=4 16304 B13R1.1042 CC(OCCCC(=O)N)C1CCC1 34a_100000766398_100102525003 [0,1,0,1,0,0|2,0,0]=4 16305 B13R1.1042 CC(OCCCC(=O)N)C1CCC1 7a_100000766398_100102525003 [0,1,0,1,0,0|2,0,0]=4 16306 B13R1.1044 CC(=O)CCCCC(=O)CC1CC1 1458a_100000738066_100000735457 [0,1,0,1,0,0|1,0,1]=4 16307 B13R1.1044 CC(=O)CCCCN(C)CC1CC1 269982a_100000741881_100000735457 [0,1,0,1,0,0|2,0,0]=4 16308 B13R1.2510 CCCCC(C)N1CCC1C(=O)O 269956a_100000021838_200011215066 [0,1,0,1,0,0|1,0,0]=3 16309 B13R1.3501 CC(=O)CCN1CCCCC(C1)O 269982a_100025706797_100000053229 [0,1,0,1,0,0|2,0,0]=4 16310 B13R1.3501 NC(=O)CCN1CCCCC(C1)O 2230a_100025706797_100000744528 [0,1,0,1,0,0|2,0,0]=4 16311 B13R1.3501 NC(=O)CCN1CCCCC(C1)O 269982a_100025706797_100000744528 [0,1,0,1,0,0|2,0,0]=4 16312 B13R1.3529 CC(=O)CCCN1C(CCC1C)C 269982a_100000687148_100011215641 [0,1,0,1,0,0|2,0,0]=4 16313 B13R1.3529 CC(=O)CCCN1C(CCC1C)C 34a_100000687148_100000685027 [0,1,0,1,0,0|2,0,0]=4 16314 B13R1.3529 CC1CCC(N1CCCC(=O)N)C 269982a_100000687148_100102525003 [0,1,0,1,0,0|2,0,0]=4 16315 B13R1.3529 CC1CCC(N1CCCC(=O)N)C 34a_100000687148_100102525003 [0,1,0,1,0,0|2,0,0]=4 16316 B13R1.4012 CC1CCCC(N1CCF)C(=O)O 269956a_100000704260_100011217306 [0,1,0,1,0,0|2,0,0]=4 16317 B13R1.4012 CC1CCCC(N1CCO)C(=O)O 269956a_100000704260_100000211926 [0,1,0,1,0,0|2,0,0]=4 16318 B13R1.4012 CCCN1C(CCCC1C(=O)O)C 269956a_100000704260_100000210207 [0,1,0,1,0,0|1,0,0]=3 16319 B13R1.4012 COCN1C(CCCC1C(=O)O)C 269956a_100000704260_100000766300 [0,1,0,1,0,0|2,0,0]=4 16320 B13R1.4012 CSCN1C(CCCC1C(=O)O)C 269956a_100000704260_100011218213 [0,1,0,1,0,0|2,0,0]=4 16321 B13R1.7746 CC(=O)CCCOC1(CCCC1)C 34a_100000751722_100000685027 [0,1,0,1,0,0|2,0,0]=4 16322 B13R1.7746 CC(=O)CCCOC1(CCCC1)C 7a_100000751722_100011215641 [0,1,0,1,0,0|2,0,0]=4 16323 B13R1.7746 CC1(CCCC1)OCCCC(=O)N 34a_100000751722_100102525003 [0,1,0,1,0,0|2,0,0]=4 16324 B13R1.7746 CC1(CCCC1)OCCCC(=O)N 7a_100000751722_100102525003 [0,1,0,1,0,0|2,0,0]=4 16325 B13R1.7746 NC(=O)CCNCC1(CCCC1)O 2230a_100000737848_100000744528 [0,1,0,1,0,0|2,0,0]=4 16326 B13R1.7746 NC(=O)CCOCC1(CCCC1)N 34a_100000749328_100000731001 [0,1,0,1,0,0|2,0,0]=4 16327 B13R1.7746 NC(=O)CNCCC1(CCCC1)O 34a_100000719956_100000187820 [0,1,0,1,0,0|2,0,0]=4 16328 B13R1.7746 O=C([O-])CNCCC1(CCCC1)O 34a_100000719956_100020667443 [0,1,0,1,0,0|1,0,1]=4 16329 B13R1.15 CCC(C)COC1CCCC(=O)C1 34a_100012613340_100000748023 [0,1,0,1,0,0|2,0,0]=4 16330 B13R1.15 CCC(C)OCC1CCCC(=O)N1 34a_200000102386_100011215416 [0,1,0,1,0,0|2,0,0]=4 16331 B13R1.15 CCC(O)COC1CCCC(=O)C1 34a_100012613340_100011218378 [0,1,0,1,0,0|2,0,0]=4 16332 B13R1.15 CC[C@H](C)COC1CCCC(=O)C1 34a_100012613340_100009816398 [0,1,0,1,0,0|2,0,0]=4 16333 B13R1.60 CCN1CCC(C1)CNCC(=O)O 269956a_100016091260_100015184589 [0,1,0,1,0,0|2,0,0]=4 16334 B13R1.150 CC1CCCC(C1C)NCC(=O)N 2230a_100000211273_100000747473 [0,1,0,1,0,0|2,0,0]=4 16335 B13R1.150 CC1CCCC(C1C)NCC(=O)N 34a_100000211273_100000187820 [0,1,0,1,0,0|2,0,0]=4 16336 B13R1.150 CC1CCCC(C1C)NCC(=O)[O-] 34a_100000211273_100020667443 [0,1,0,1,0,0|1,0,1]=4 16337 B13R1.150 CC1CCCC(C1C)OCC(=O)N 34a_100011217532_100000187820 [0,1,0,1,0,0|2,0,0]=4 16338 B13R1.150 CC1CCCC(C1C)OCC(=O)N 7a_100011217532_100000187820 [0,1,0,1,0,0|2,0,0]=4 16339 B13R1.150 CC1CCCC(C1C)OCC(=O)[O-] 34a_100011217532_100020667443 [0,1,0,1,0,0|1,0,1]=4 16340 B13R1.198 CC(=O)CCCCOCC1CC1C 34a_100000744939_100009817362 [0,1,0,1,0,0|1,0,0]=3 16341 B13R1.198 CC(=O)CCCCOCC1CC1C 7a_100000744939_100000735457 [0,1,0,1,0,0|1,0,0]=3 16342 B13R1.198 CC(=O)OCCCOCC1CC1C 34a_100000744939_100000042594 [0,1,0,1,0,0|2,0,0]=4 16343 B13R1.198 CC(=O)OCCCOCC1CC1C 7a_100000744939_100000042594 [0,1,0,1,0,0|2,0,0]=4 16344 B13R1.198 CC(=O)SCCCOCC1CC1C 34a_100000744939_100000038929 [0,1,0,1,0,0|2,0,0]=4 16345 B13R1.198 CC(=O)SCCCOCC1CC1C 7a_100000744939_100000038929 [0,1,0,1,0,0|2,0,0]=4 16346 B13R1.198 CC1CC1COCCCCB(O)O 34a_100000744939_200009817182 [0,1,0,1,0,0|1,0,1]=4 16347 B13R1.198 CC1CC1COCCCCB(O)O 7a_100000744939_200009817182 [0,1,0,1,0,0|1,0,1]=4 16348 B13R1.198 CC1CC1COCCOCC(=O)N 34a_100000744939_100000076697 [0,1,0,1,0,0|2,0,0]=4 16349 B13R1.198 CC1CC1COCCOCC(=O)N 7a_100000744939_100000076697 [0,1,0,1,0,0|2,0,0]=4 16350 B13R1.198 NC(=O)CCCCCN[C@@H]1C[C@@H]1F 2230a_100015190264_100009817443 [0,1,0,1,0,0|2,0,0]=4 16351 B13R1.198 NC(=O)CCCCCN[C@@H]1C[C@H]1F 2230a_100025746932_100009817443 [0,1,0,1,0,0|2,0,0]=4 16352 B13R1.198 NC(=O)CCCCCN[C@@H]1C[C@H]1F 34a_100025746932_100009817443 [0,1,0,1,0,0|2,0,0]=4 16353 B13R1.297 CC(=O)OCCCCN1CCC1C 269982a_100000755817_100000033659 [0,1,0,1,0,0|2,0,0]=4 16354 B13R1.297 CC(=O)OCCCCN1CCC1C 34a_100000755817_100000033659 [0,1,0,1,0,0|2,0,0]=4 16355 B13R1.297 CC(=O)SCCCCN1CCC1C 269982a_100000755817_200010402107 [0,1,0,1,0,0|2,0,0]=4 16356 B13R1.297 CC(=O)SCCCCN1CCC1C 34a_100000755817_200010402107 [0,1,0,1,0,0|2,0,0]=4 16357 B13R1.297 CC1CCN1CCCCCB(O)O 269982a_100000755817_200009817188 [0,1,0,1,0,0|1,0,1]=4 16358 B13R1.297 CC1CCN1CCCCCB(O)O 34a_100000755817_200009817188 [0,1,0,1,0,0|1,0,1]=4 16359 B13R1.297 CC1CCN1CCCCCC(=O)N 269982a_100000755817_100009817443 [0,1,0,1,0,0|1,0,0]=3 16360 B13R1.297 CC1CCN1CCCCCC(=O)N 34a_100000755817_100009817443 [0,1,0,1,0,0|1,0,0]=3 16361 B13R1.513 CC(=O)CCCN1CCC(CC1)C 269982a_100000188429_100011215641 [0,1,0,1,0,0|2,0,0]=4 16362 B13R1.513 CC(=O)CCCN1CCC(CC1)C 34a_100000188429_100000685027 [0,1,0,1,0,0|2,0,0]=4 16363 B13R1.513 CC(=O)CCCN1CCC(CC1)F 269982a_100015193889_100011215641 [0,1,0,1,0,0|2,0,0]=4 16364 B13R1.513 CC(=O)CCCN1CCC(CC1)F 34a_100015193889_100000685027 [0,1,0,1,0,0|2,0,0]=4 16365 B13R1.513 CC(=O)CCCN1CCC(CC1)O 269982a_100025773856_100011215641 [0,1,0,1,0,0|2,0,0]=4 16366 B13R1.513 CC(=O)CCOC1CCC(CC1)C 34a_100000759926_200011216234 [0,1,0,1,0,0|2,0,0]=4 16367 B13R1.513 CC(=O)CCOC1CCC(CC1)C 7a_100000210714_100000053229 [0,1,0,1,0,0|2,0,0]=4 16368 B13R1.513 CC(=O)CCSC1CCC(CC1)C 62a_100000053229_200011216234 [0,1,0,1,0,0|2,0,0]=4 16369 B13R1.513 CC(=O)NCCC1CCC(CC1)O 1626a_200011935226_100015343762 [0,1,0,1,0,0|2,0,0]=4 16370 B13R1.513 CC(=O)NCCC1CCC(CC1)O 240690a_200011935226_100015343762 [0,1,0,1,0,0|2,0,0]=4 16371 B13R1.513 CC(=O)NCCC1CCC(CC1)O 527a_200011935226_100103153847 [0,1,0,1,0,0|2,0,0]=4 16372 B13R1.513 CC1CCC(CC1)CNCC(=O)N 2230a_103436935547_100000747473 [0,1,0,1,0,0|2,0,0]=4 16373 B13R1.513 CC1CCC(CC1)CNCC(=O)N 34a_103436935547_100000187820 [0,1,0,1,0,0|2,0,0]=4 16374 B13R1.513 CC1CCC(CC1)CNCC(=O)[O-] 34a_103436935547_100020667443 [0,1,0,1,0,0|1,0,1]=4 16375 B13R1.513 CC1CCC(CC1)COCC(=O)N 34a_100000701341_100000187820 [0,1,0,1,0,0|2,0,0]=4 16376 B13R1.513 CC1CCC(CC1)COCC(=O)[O-] 34a_100000701341_100020667443 [0,1,0,1,0,0|1,0,1]=4 16377 B13R1.513 CC1CCC(CC1)NOCC(=O)O 269956a_100000106656_200011216234 [0,1,0,1,0,0|2,0,0]=4 16378 B13R1.513 CC1CCC(CC1)OCCC(=O)N 34a_100000210714_100000731001 [0,1,0,1,0,0|2,0,0]=4 16379 B13R1.513 CC1CCC(CC1)OCCC(=O)N 34a_100000757172_200011216234 [0,1,0,1,0,0|2,0,0]=4 16380 B13R1.513 CC1CCC(CC1)OCCC(=O)N 7a_100000210714_100000744528 [0,1,0,1,0,0|2,0,0]=4 16381 B13R1.513 CC1CCC(CC1)SCCC(=O)N 62a_100000744528_200011216234 [0,1,0,1,0,0|2,0,0]=4 16382 B13R1.513 CC1CCN(CC1)CCCC(=O)N 269982a_100000188429_100102525003 [0,1,0,1,0,0|2,0,0]=4 16383 B13R1.513 CC1CCN(CC1)CCCC(=O)N 34a_100000188429_100102525003 [0,1,0,1,0,0|2,0,0]=4 16384 B13R1.513 CN1CCC(CC1)CNCC(=O)O 269956a_100016091260_100015183002 [0,1,0,1,0,0|2,0,0]=4 16385 B13R1.513 C[C@H]1CC[C@@H](CC1)NCCC(=O)N 2230a_100020625639_100000744528 [0,1,0,1,0,0|2,0,0]=4 16386 B13R1.513 C[C@H]1CC[C@@H](CC1)NCCC(=O)N 34a_100020625639_100000731001 [0,1,0,1,0,0|2,0,0]=4 16387 B13R1.513 NC(=O)CCCN1CCC(CC1)F 269982a_100015193889_100102525003 [0,1,0,1,0,0|2,0,0]=4 16388 B13R1.513 NC(=O)CCCN1CCC(CC1)F 34a_100015193889_100102525003 [0,1,0,1,0,0|2,0,0]=4 16389 B13R1.513 NC(=O)CCCN1CCC(CC1)O 269982a_100025773856_100102525003 [0,1,0,1,0,0|2,0,0]=4 16390 B13R1.513 NC(=O)CCO[C@H]1CC[C@H](CC1)N 34a_100020628982_100000731001 [0,1,0,1,0,0|2,0,0]=4 16391 B13R1.513 NC(=O)COC[C@H]1CC[C@@H](CC1)N 34a_100009821084_100000187820 [0,1,0,1,0,0|2,0,0]=4 16392 B13R1.513 N[C@H]1CC[C@@H](CC1)COCC(=O)[O-] 34a_100009821084_100020667443 [0,1,0,1,0,0|1,0,1]=4 16393 B13R1.530 CCC(C)CCNCC1CC(=O)C1 2230a_100020591266_100009874392 [0,1,0,1,0,0|2,0,0]=4 16394 B13R1.530 CCC(C)CCOCC1CC(=O)C1 7a_100011215188_100009874392 [0,1,0,1,0,0|2,0,0]=4 16395 B13R1.538 CNC(=O)CCCOCC1CC1C 34a_100000744939_100000741757 [0,1,0,1,0,0|2,0,0]=4 16396 B13R1.538 CNC(=O)CCCOCC1CC1C 7a_100000744939_100000741757 [0,1,0,1,0,0|2,0,0]=4 16397 B13R1.538 COC(=O)CCCCN[C@@H]1C[C@@H]1F 2230a_100015190264_100000204269 [0,1,0,1,0,0|2,0,0]=4 16398 B13R1.538 COC(=O)CCCCN[C@@H]1C[C@H]1F 2230a_100025746932_100000204269 [0,1,0,1,0,0|2,0,0]=4 16399 B13R1.538 COC(=O)CCCCN[C@@H]1C[C@H]1F 34a_100025746932_100000204269 [0,1,0,1,0,0|2,0,0]=4 16400 B13R1.538 COC(=O)CCCOCC1CC1C 34a_100000744939_100000742333 [0,1,0,1,0,0|1,0,0]=3 16401 B13R1.538 COC(=O)CCCOCC1CC1C 7a_100000744939_100011218270 [0,1,0,1,0,0|1,0,0]=3 16402 B13R1.547 CCC(=O)[C@@H]1CCCC[C@H]1C(=O)N 1458a_200009911122_100000210202 [0,1,0,1,0,0|1,0,1]=4 16403 B13R1.547 CCC(C)N1CCCCC1C(=O)N 2230a_100000181395_100000758301 [0,1,0,1,0,0|2,0,0]=4 16404 B13R1.547 CCC(C)N1CCCCC1C(=O)N 269982a_100000181395_100000758301 [0,1,0,1,0,0|2,0,0]=4 16405 B13R1.547 CCC(C)N1CCCCC1C(=O)N 34a_100000181395_100011215416 [0,1,0,1,0,0|2,0,0]=4 16406 B13R1.547 CCC(C)N1CCCC[C@@H]1C(=O)O 269956a_100000763471_100000758301 [0,1,0,1,0,0|1,0,0]=3 16407 B13R1.547 CCC(C)N1CCOC[C@@H]1C(=O)O 269956a_100016993156_100000758301 [0,1,0,1,0,0|2,0,0]=4 16408 B13R1.547 CCC(C)N1CCSCC1C(=O)O 269956a_100011346106_100000758301 [0,1,0,1,0,0|2,0,0]=4 16409 B13R1.547 CCC(C)N1CSCCC1C(=O)O 269956a_100015185162_100000758301 [0,1,0,1,0,0|2,0,0]=4 16410 B13R1.547 COC(C)N1CCCC[C@@H]1C(=O)O 269956a_100000763471_100009879195 [0,1,0,1,0,0|2,0,0]=4 16411 B13R1.547 C[C@H](CO)N1CCCC[C@@H]1C(=O)O 269956a_100000763471_100016084084 [0,1,0,1,0,0|2,0,0]=4 16412 B13R1.586 CC(=O)CCCCNCC1CCC1 34a_100000738700_100009817362 [0,1,0,1,0,0|1,0,0]=3 16413 B13R1.586 CC(=O)CCCCNCC1COC1 34a_100015281925_100009817362 [0,1,0,1,0,0|2,0,0]=4 16414 B13R1.586 CC(=O)CCCCNC[C@@H]1CCO1 34a_100020831831_100009817362 [0,1,0,1,0,0|2,0,0]=4 16415 B13R1.586 CC(=O)CCCCOCC1CCC1 34a_100000760304_100009817362 [0,1,0,1,0,0|1,0,0]=3 16416 B13R1.586 CC(=O)CCCCOCC1CCO1 34a_100000039022_100009817362 [0,1,0,1,0,0|2,0,0]=4 16417 B13R1.586 CC(=O)CCCCOCC1CNC1 34a_100016987283_100009817362 [0,1,0,1,0,0|2,0,0]=4 16418 B13R1.586 CC(=O)CCCCOCC1COC1 34a_100000060846_100009817362 [0,1,0,1,0,0|2,0,0]=4 16419 B13R1.586 CC(=O)CCCCSCC1CCC1 62a_100000735457_100000763275 [0,1,0,1,0,0|1,0,0]=3 16420 B13R1.586 CC(=O)CCCCSCC1CCC1 62a_100000763275_100000735457 [0,1,0,1,0,0|1,0,0]=3 16421 B13R1.586 CC(=O)CCCCSCC1CCO1 62a_100000103362_100000735457 [0,1,0,1,0,0|2,0,0]=4 16422 B13R1.586 CC(=O)CCCCSCC1CCO1 62a_100000735457_100000103362 [0,1,0,1,0,0|2,0,0]=4 16423 B13R1.586 CC(=O)CCCCSCC1COC1 62a_100000735457_100010264016 [0,1,0,1,0,0|2,0,0]=4 16424 B13R1.586 CC(=O)CCCCSCC1COC1 62a_100010264016_100000735457 [0,1,0,1,0,0|2,0,0]=4 16425 B13R1.586 CC(=O)CCCOCCC1COC1 34a_100009855314_100000685027 [0,1,0,1,0,0|2,0,0]=4 16426 B13R1.586 CC(=O)NCCCCNC1CCC1 270004a_200011368371_100000241760 [0,1,0,1,0,0|2,0,0]=4 16427 B13R1.586 CC(=O)NCCCCNC1CCC1 34a_200011368371_100000749161 [0,1,0,1,0,0|2,0,0]=4 16428 B13R1.586 CC(=O)NCCCNCC1CCC1 269862a_100000736810_100000753134 [0,1,0,1,0,0|2,0,0]=4 16429 B13R1.586 CC(=O)NCCCNCC1CCC1 34a_100000736810_100000763275 [0,1,0,1,0,0|2,0,0]=4 16430 B13R1.586 CC(=O)NCCCOCC1CCC1 34a_100000752032_100000763275 [0,1,0,1,0,0|2,0,0]=4 16431 B13R1.586 CC(=O)OCCCCCN1CCC1 269982a_100000754969_100000033007 [0,1,0,1,0,0|2,0,0]=4 16432 B13R1.586 CC(=O)OCCCCNC1CCC1 34a_100000749019_100000033659 [0,1,0,1,0,0|2,0,0]=4 16433 B13R1.586 CC(=O)OCCCCOC1CCC1 34a_100000073216_100000749161 [0,1,0,1,0,0|2,0,0]=4 16434 B13R1.586 CC(=O)OCCCCOC1CCC1 34a_100000748187_100000033659 [0,1,0,1,0,0|2,0,0]=4 16435 B13R1.586 CC(=O)OCCCCSC1CCC1 62a_100000033659_100000749161 [0,1,0,1,0,0|2,0,0]=4 16436 B13R1.586 CC(=O)OCCCNCC1CCC1 34a_100000738700_100000042594 [0,1,0,1,0,0|2,0,0]=4 16437 B13R1.586 CC(=O)OCCCOCC1CCC1 34a_100000760304_100000042594 [0,1,0,1,0,0|2,0,0]=4 16438 B13R1.586 CC(=O)OCCCSCC1CCC1 62a_100000042594_100000763275 [0,1,0,1,0,0|2,0,0]=4 16439 B13R1.586 CC(=O)OCCCSCC1CCC1 62a_100000763275_100000042594 [0,1,0,1,0,0|2,0,0]=4 16440 B13R1.586 CC(=O)SCCCCNC1CCC1 2230a_100000749019_200010402107 [0,1,0,1,0,0|2,0,0]=4 16441 B13R1.586 CC(=O)SCCCCNC1CCC1 34a_100000749019_200010402107 [0,1,0,1,0,0|2,0,0]=4 16442 B13R1.586 CC(=O)SCCCCOC1CCC1 34a_100000748187_200010402107 [0,1,0,1,0,0|2,0,0]=4 16443 B13R1.586 CC(=O)SCCCCSC1CCC1 62a_200010402107_100000749161 [0,1,0,1,0,0|2,0,0]=4 16444 B13R1.586 CC(=O)SCCCNCC1CCC1 2230a_100000738700_100000038929 [0,1,0,1,0,0|2,0,0]=4 16445 B13R1.586 CC(=O)SCCCNCC1CCC1 34a_100000738700_100000038929 [0,1,0,1,0,0|2,0,0]=4 16446 B13R1.586 CC(=O)SCCCOCC1CCC1 34a_100000760304_100000038929 [0,1,0,1,0,0|2,0,0]=4 16447 B13R1.586 CC(=O)SCCCSCC1CCC1 62a_100000038929_100000763275 [0,1,0,1,0,0|2,0,0]=4 16448 B13R1.586 CC(=O)SCCCSCC1CCC1 62a_100000763275_100000038929 [0,1,0,1,0,0|2,0,0]=4 16449 B13R1.586 NC(=O)CCCCCNC1CCC1 2230a_100000749019_100009817443 [0,1,0,1,0,0|1,0,0]=3 16450 B13R1.586 NC(=O)CCCCCNC1CCC1 34a_100000749019_100009817443 [0,1,0,1,0,0|1,0,0]=3 16451 B13R1.586 NC(=O)CCCCCNC1COC1 2230a_100016991112_100009817443 [0,1,0,1,0,0|2,0,0]=4 16452 B13R1.586 NC(=O)CCCCCOC1CCC1 34a_100000123541_100000749161 [0,1,0,1,0,0|1,0,0]=3 16453 B13R1.586 NC(=O)CCCCCOC1CCC1 34a_100000748187_100009817443 [0,1,0,1,0,0|1,0,0]=3 16454 B13R1.586 NC(=O)CCCCCOC1COC1 34a_100000123541_100009818527 [0,1,0,1,0,0|2,0,0]=4 16455 B13R1.586 NC(=O)CCCCCOC1COC1 7a_100000123541_100009818527 [0,1,0,1,0,0|2,0,0]=4 16456 B13R1.586 NC(=O)CCCCCOC1CSC1 7a_100000072292_100009817443 [0,1,0,1,0,0|2,0,0]=4 16457 B13R1.586 NC(=O)CCCCCSC1CCC1 62a_100009817443_100000749161 [0,1,0,1,0,0|1,0,0]=3 16458 B13R1.586 NC(=O)CCCCCSC1COC1 62a_100009817443_100009818527 [0,1,0,1,0,0|2,0,0]=4 16459 B13R1.586 NC(=O)CCCCNCC1CCC1 269862a_100000696515_100000753134 [0,1,0,1,0,0|1,0,0]=3 16460 B13R1.586 NC(=O)CCCCNCC1CCC1 34a_100000696515_100000763275 [0,1,0,1,0,0|1,0,0]=3 16461 B13R1.586 NC(=O)CCCCNCC1CCO1 34a_100000696515_100000103362 [0,1,0,1,0,0|2,0,0]=4 16462 B13R1.586 NC(=O)CCCCNCC1COC1 34a_100000696515_100010264016 [0,1,0,1,0,0|2,0,0]=4 16463 B13R1.586 NC(=O)CCCCOCC1CCC1 34a_100012022536_100000763275 [0,1,0,1,0,0|1,0,0]=3 16464 B13R1.586 NC(=O)CCCCOCC1CCC1 7a_100012022536_100000763275 [0,1,0,1,0,0|1,0,0]=3 16465 B13R1.586 NC(=O)CCCCOCC1CCO1 34a_100012022536_100000103362 [0,1,0,1,0,0|2,0,0]=4 16466 B13R1.586 NC(=O)CCCCOCC1CCO1 7a_100012022536_100000103362 [0,1,0,1,0,0|2,0,0]=4 16467 B13R1.586 NC(=O)CCCCOCC1COC1 34a_100012022536_100010264016 [0,1,0,1,0,0|2,0,0]=4 16468 B13R1.586 NC(=O)CCCCOCC1COC1 7a_100012022536_100010264016 [0,1,0,1,0,0|2,0,0]=4 16469 B13R1.586 NC(=O)CCCOCCC1COC1 34a_100009855314_100102525003 [0,1,0,1,0,0|2,0,0]=4 16470 B13R1.586 NC(=O)COCCNCC1CCC1 2230a_100000738700_100000076697 [0,1,0,1,0,0|2,0,0]=4 16471 B13R1.586 NC(=O)COCCNCC1CCC1 34a_100000738700_100000076697 [0,1,0,1,0,0|2,0,0]=4 16472 B13R1.586 NC(=O)COCCOCC1CCC1 34a_100000760304_100000076697 [0,1,0,1,0,0|2,0,0]=4 16473 B13R1.586 NC(=O)COCCSCC1CCC1 62a_100000076697_100000763275 [0,1,0,1,0,0|2,0,0]=4 16474 B13R1.586 NC(=O)COCCSCC1CCC1 62a_100000763275_100000076697 [0,1,0,1,0,0|2,0,0]=4 16475 B13R1.586 O=C(O)COCCNCC1CCC1 269956a_100000700818_100000763275 [0,1,0,1,0,0|1,0,0]=3 16476 B13R1.586 O=C(O)COCCNCC1CCO1 269956a_100000700818_100000103362 [0,1,0,1,0,0|2,0,0]=4 16477 B13R1.586 O=C(O)COCCNCC1COC1 269956a_100000700818_100010264016 [0,1,0,1,0,0|2,0,0]=4 16478 B13R1.586 O=C([O-])CCCCCOC1COC1 7a_100102619762_100009818527 [0,1,0,1,0,0|1,0,1]=4 16479 B13R1.586 O=[N+]([O-])CCCCOCC1CCC1 34a_200015379883_100000763275 [0,1,0,1,0,0|1,0,1]=4 16480 B13R1.586 O=[N+]([O-])CCCCOCC1CCC1 7a_200015379883_100000763275 [0,1,0,1,0,0|1,0,1]=4 16481 B13R1.586 OB(O)CCCCCCN1CCC1 269982a_100000754969_100009817187 [0,1,0,1,0,0|1,0,1]=4 16482 B13R1.586 OB(O)CCCCCNC1CCC1 2230a_100000749019_200009817188 [0,1,0,1,0,0|1,0,1]=4 16483 B13R1.586 OB(O)CCCCCNC1CCC1 34a_100000749019_200009817188 [0,1,0,1,0,0|1,0,1]=4 16484 B13R1.586 OB(O)CCCCCOC1CCC1 34a_100000748187_200009817188 [0,1,0,1,0,0|1,0,1]=4 16485 B13R1.586 OB(O)CCCCCSC1CCC1 62a_200009817188_100000749161 [0,1,0,1,0,0|1,0,1]=4 16486 B13R1.586 OB(O)CCCCNCC1CCC1 2230a_100000738700_200009817182 [0,1,0,1,0,0|1,0,1]=4 16487 B13R1.586 OB(O)CCCCNCC1CCC1 34a_100000738700_200009817182 [0,1,0,1,0,0|1,0,1]=4 16488 B13R1.586 OB(O)CCCCOCC1CCC1 34a_100000760304_200009817182 [0,1,0,1,0,0|1,0,1]=4 16489 B13R1.586 OB(O)CCCCSCC1CCC1 62a_100000763275_200009817182 [0,1,0,1,0,0|1,0,1]=4 16490 B13R1.586 OB(O)CCCCSCC1CCC1 62a_200009817182_100000763275 [0,1,0,1,0,0|1,0,1]=4 16491 B13R1.594 CNC(=O)CCCNCCC1CC1 2230a_100000740002_100000694398 [0,1,0,1,0,0|2,0,0]=4 16492 B13R1.594 CNC(=O)CCCNCCC1CC1 34a_100000740002_100000694398 [0,1,0,1,0,0|2,0,0]=4 16493 B13R1.594 CNC(=O)CCCNCCC1CC1 34a_100000764129_100000741757 [0,1,0,1,0,0|2,0,0]=4 16494 B13R1.594 CNC(=O)CCCOCCC1CC1 34a_100000754188_100000741757 [0,1,0,1,0,0|2,0,0]=4 16495 B13R1.594 CNC(=O)CCCOCCC1CC1 7a_100000754188_100000741757 [0,1,0,1,0,0|2,0,0]=4 16496 B13R1.594 CNC(=O)CCCSCCC1CC1 62a_100000741757_100000764125 [0,1,0,1,0,0|2,0,0]=4 16497 B13R1.594 CNC(=O)CCCSCCC1CC1 62a_100000764125_100000741757 [0,1,0,1,0,0|2,0,0]=4 16498 B13R1.594 COC(=O)CCCCCNC1CC1 34a_100000212008_100009816466 [0,1,0,1,0,0|1,0,0]=3 16499 B13R1.594 COC(=O)CCCCCOC1CC1 34a_100000074720_100000211595 [0,1,0,1,0,0|1,0,0]=3 16500 B13R1.594 COC(=O)CCCCCSC1CC1 62a_100009816466_100000211595 [0,1,0,1,0,0|1,0,0]=3 16501 B13R1.594 COC(=O)CCCCNCC1CC1 2230a_100000735609_100000204269 [0,1,0,1,0,0|1,0,0]=3 16502 B13R1.594 COC(=O)CCCCNCC1CC1 34a_100000735609_100000204269 [0,1,0,1,0,0|1,0,0]=3 16503 B13R1.594 COC(=O)CCCCOCC1CC1 34a_100000059025_100000742324 [0,1,0,1,0,0|1,0,0]=3 16504 B13R1.594 COC(=O)CCCCOCC1CC1 34a_100000211283_100000204269 [0,1,0,1,0,0|1,0,0]=3 16505 B13R1.594 COC(=O)CCCCOCC1CC1 7a_100000059025_100000742324 [0,1,0,1,0,0|1,0,0]=3 16506 B13R1.594 COC(=O)CCCCOCC1CO1 34a_100000059025_102125554688 [0,1,0,1,0,0|2,0,0]=4 16507 B13R1.594 COC(=O)CCCCOCC1CO1 7a_100000059025_102125554688 [0,1,0,1,0,0|2,0,0]=4 16508 B13R1.594 COC(=O)CCCCOCC1CS1 7a_100000059025_100000031435 [0,1,0,1,0,0|2,0,0]=4 16509 B13R1.594 COC(=O)CCCCOC[C@@H]1CO1 34a_100000757423_100000204269 [0,1,0,1,0,0|2,0,0]=4 16510 B13R1.594 COC(=O)CCCCOC[C@@H]1CO1 7a_100000059025_100000745022 [0,1,0,1,0,0|2,0,0]=4 16511 B13R1.594 COC(=O)CCCCSCC1CC1 62a_100000204269_100000742324 [0,1,0,1,0,0|1,0,0]=3 16512 B13R1.594 COC(=O)CCCCSCC1CC1 62a_100000756562_100000204269 [0,1,0,1,0,0|1,0,0]=3 16513 B13R1.594 COC(=O)CCCCSCC1CO1 62a_100000204269_102125554688 [0,1,0,1,0,0|2,0,0]=4 16514 B13R1.594 COC(=O)CCCCSCC1CO1 62a_102125554688_100000204269 [0,1,0,1,0,0|2,0,0]=4 16515 B13R1.594 COC(=O)CCCCSCC1CS1 62a_100000031435_100000204269 [0,1,0,1,0,0|2,0,0]=4 16516 B13R1.594 COC(=O)CCCCSCC1CS1 62a_100000204269_100000031435 [0,1,0,1,0,0|2,0,0]=4 16517 B13R1.594 COC(=O)CCCCSC[C@@H]1CO1 62a_100000204269_100000745022 [0,1,0,1,0,0|2,0,0]=4 16518 B13R1.594 COC(=O)CCCCSC[C@@H]1CO1 62a_100000745022_100000204269 [0,1,0,1,0,0|2,0,0]=4 16519 B13R1.594 COC(=O)CCCNCCC1CC1 34a_100000764129_100000742333 [0,1,0,1,0,0|1,0,0]=3 16520 B13R1.594 COC(=O)CCCOCCC1CC1 34a_100000754188_100000742333 [0,1,0,1,0,0|1,0,0]=3 16521 B13R1.594 COC(=O)CCCOCCC1CC1 7a_100000754188_100011218270 [0,1,0,1,0,0|1,0,0]=3 16522 B13R1.594 COC(=O)CCCOCC[C@@H]1CO1 34a_100009820653_100000742333 [0,1,0,1,0,0|2,0,0]=4 16523 B13R1.594 COC(=O)CCCSCCC1CC1 62a_100000764125_100011218270 [0,1,0,1,0,0|1,0,0]=3 16524 B13R1.594 COC(=O)CCCSCCC1CC1 62a_100011218270_100000764125 [0,1,0,1,0,0|1,0,0]=3 16525 B13R1.594 COC(=O)CCCSCCC1CO1 62a_100000732470_100011218270 [0,1,0,1,0,0|2,0,0]=4 16526 B13R1.594 COC(=O)CCCSCCC1CO1 62a_100011218270_100000732470 [0,1,0,1,0,0|2,0,0]=4 16527 B13R1.594 COC(=O)CCOCCNC1CC1 34a_100000738766_100000742370 [0,1,0,1,0,0|2,0,0]=4 16528 B13R1.594 COC(=O)CCSCCCC1CO1 62a_100000204255_100000733510 [0,1,0,1,0,0|2,0,0]=4 16529 B13R1.594 COC(=O)CCSCCCC1CO1 62a_100000733510_100000204255 [0,1,0,1,0,0|2,0,0]=4 16530 B13R1.594 COC(=O)COCCNCC1CC1 2230a_100000735609_100000090808 [0,1,0,1,0,0|2,0,0]=4 16531 B13R1.594 COC(=O)COCCNCC1CC1 34a_100000735609_100000090808 [0,1,0,1,0,0|2,0,0]=4 16532 B13R1.594 COC(=O)COCCOCC1CC1 34a_100000211283_100000090808 [0,1,0,1,0,0|2,0,0]=4 16533 B13R1.594 COC(=O)COCCSCC1CC1 62a_100000090808_100000742324 [0,1,0,1,0,0|2,0,0]=4 16534 B13R1.594 COC(=O)COCCSCC1CC1 62a_100000756562_100000090808 [0,1,0,1,0,0|2,0,0]=4 16535 B13R1.594 COC(=O)NCCOCCC1CC1 34a_100000757965_100000694398 [0,1,0,1,0,0|2,0,0]=4 16536 B13R1.594 COC(=O)OCCOCCC1CC1 34a_100010262106_100000694398 [0,1,0,1,0,0|2,0,0]=4 16537 B13R1.594 NNC(=O)CCCOCCC1CC1 34a_100000211488_100000694398 [0,1,0,1,0,0|2,0,0]=4 16538 B13R1.643 CCC1CCCC(C1)OCC(=O)N 7a_100011985506_100000187820 [0,1,0,1,0,0|2,0,0]=4 16539 B13R1.643 CCN1CCCC(C1)CCC(=O)N 2230a_100011533967_100000210202 [0,1,0,1,0,0|2,0,0]=4 16540 B13R1.643 CCN1CCCC(C1)CCC(=O)N 269982a_100011533967_100000204670 [0,1,0,1,0,0|2,0,0]=4 16541 B13R1.643 CCN1CCCC(C1)CCC(=O)N 34a_100011533967_100000210202 [0,1,0,1,0,0|2,0,0]=4 16542 B13R1.717 CCC(C)CNCC1CNC(=O)O1 2230a_100020588543_100000181169 [0,1,0,1,0,0|2,0,0]=4 16543 B13R1.717 CCC(C)CNC[C@@H]1CCC(=O)N1 2230a_100020588543_100015189358 [0,1,0,1,0,0|2,0,0]=4 16544 B13R1.717 CCC(C)CNC[C@H]1CCC(=O)N1 2230a_100015423886_100000748023 [0,1,0,1,0,0|2,0,0]=4 16545 B13R1.717 CCC(C)CNC[C@H]1CCC(=O)N1 270004a_100015423886_100000243153 [0,1,0,1,0,0|2,0,0]=4 16546 B13R1.717 CCC(C)CNC[C@H]1CCC(=O)N1 34a_100015423886_100000748023 [0,1,0,1,0,0|2,0,0]=4 16547 B13R1.717 CCC(C)COCC1CCC(=O)N1 34a_100000737831_100000748023 [0,1,0,1,0,0|2,0,0]=4 16548 B13R1.717 CCC(C)COCC1CNC(=O)O1 34a_100011315639_100000748023 [0,1,0,1,0,0|2,0,0]=4 16549 B13R1.717 CCC(C)CSCC1CNC(=O)O1 62a_100000181169_100000748023 [0,1,0,1,0,0|2,0,0]=4 16550 B13R1.717 CCC(C)CSCC1CNC(=O)O1 62a_100000748023_100000181169 [0,1,0,1,0,0|2,0,0]=4 16551 B13R1.717 CCC(C)CSCC1COC(=O)O1 62a_100000073702_100000748023 [0,1,0,1,0,0|2,0,0]=4 16552 B13R1.717 CCC(C)CSCC1COC(=O)O1 62a_100000748023_100000073702 [0,1,0,1,0,0|2,0,0]=4 16553 B13R1.717 CCC(C)CSC[C@@H]1CCC(=O)N1 62a_100000748023_100015189358 [0,1,0,1,0,0|2,0,0]=4 16554 B13R1.717 CCC(C)CSC[C@@H]1CCC(=O)N1 62a_100015189358_100000748023 [0,1,0,1,0,0|2,0,0]=4 16555 B13R1.717 CCC(O)CNCC1CNC(=O)O1 2230a_100011218483_100000181169 [0,1,0,1,0,0|2,0,0]=4 16556 B13R1.717 CCC(O)CNC[C@@H]1CCC(=O)N1 2230a_100011218483_100015189358 [0,1,0,1,0,0|2,0,0]=4 16557 B13R1.717 CCC(O)CNC[C@H]1CCC(=O)N1 2230a_100015423886_100011218378 [0,1,0,1,0,0|2,0,0]=4 16558 B13R1.717 CCC(O)CNC[C@H]1CCC(=O)N1 34a_100015423886_100011218378 [0,1,0,1,0,0|2,0,0]=4 16559 B13R1.717 CCC(O)COCC1CCC(=O)N1 34a_100000737831_100011218378 [0,1,0,1,0,0|2,0,0]=4 16560 B13R1.717 CCC(O)COCC1CNC(=O)O1 34a_100011315639_100011218378 [0,1,0,1,0,0|2,0,0]=4 16561 B13R1.717 CCC(O)CSCC1CNC(=O)O1 62a_100000181169_100011218378 [0,1,0,1,0,0|2,0,0]=4 16562 B13R1.717 CCC(O)CSCC1CNC(=O)O1 62a_100011218378_100000181169 [0,1,0,1,0,0|2,0,0]=4 16563 B13R1.717 CCC(O)CSCC1COC(=O)O1 62a_100000073702_100011218378 [0,1,0,1,0,0|2,0,0]=4 16564 B13R1.717 CCC(O)CSCC1COC(=O)O1 62a_100011218378_100000073702 [0,1,0,1,0,0|2,0,0]=4 16565 B13R1.717 CCC(O)CSC[C@@H]1CCC(=O)N1 62a_100011218378_100015189358 [0,1,0,1,0,0|2,0,0]=4 16566 B13R1.717 CCC(O)CSC[C@@H]1CCC(=O)N1 62a_100015189358_100011218378 [0,1,0,1,0,0|2,0,0]=4 16567 B13R1.717 CC[C@H](C)CNC[C@H]1CCC(=O)N1 2230a_100015423886_100009816398 [0,1,0,1,0,0|2,0,0]=4 16568 B13R1.717 CC[C@H](C)CNC[C@H]1CCC(=O)N1 34a_100015423886_100009816398 [0,1,0,1,0,0|2,0,0]=4 16569 B13R1.717 CC[C@H](C)COCC1CCC(=O)N1 34a_100000737831_100009816398 [0,1,0,1,0,0|2,0,0]=4 16570 B13R1.717 CC[C@H](C)COCC1CNC(=O)O1 34a_100011315639_100009816398 [0,1,0,1,0,0|2,0,0]=4 16571 B13R1.717 CC[C@H](C)COCC1CNC(=O)O1 7a_100009816381_100000181169 [0,1,0,1,0,0|2,0,0]=4 16572 B13R1.717 CC[C@H](C)COC[C@@H]1CCC(=O)N1 7a_100009816381_100015189358 [0,1,0,1,0,0|2,0,0]=4 16573 B13R1.717 CC[C@H](C)CSCC1CNC(=O)O1 62a_100000181169_100009816398 [0,1,0,1,0,0|2,0,0]=4 16574 B13R1.717 CC[C@H](C)CSCC1CNC(=O)O1 62a_100009816398_100000181169 [0,1,0,1,0,0|2,0,0]=4 16575 B13R1.717 CC[C@H](C)CSCC1COC(=O)O1 62a_100000073702_100009816398 [0,1,0,1,0,0|2,0,0]=4 16576 B13R1.717 CC[C@H](C)CSCC1COC(=O)O1 62a_100009816398_100000073702 [0,1,0,1,0,0|2,0,0]=4 16577 B13R1.717 CC[C@H](C)CSC[C@@H]1CCC(=O)N1 62a_100009816398_100015189358 [0,1,0,1,0,0|2,0,0]=4 16578 B13R1.717 CC[C@H](C)CSC[C@@H]1CCC(=O)N1 62a_100015189358_100009816398 [0,1,0,1,0,0|2,0,0]=4 16579 B13R1.785 CC(=O)CCCCN1C[C@@H]([C@@H]1C)O 269982a_206633788156_100000735457 [0,1,0,1,0,0|2,0,0]=4 16580 B13R1.1067 CC(=O)CCCCOCC1(CC1)C 7a_100000698024_100000735457 [0,1,0,1,0,0|2,0,0]=4 16581 B13R1.1067 CC(=O)CCCCOCC1(CC1)F 34a_200000703853_100009817362 [0,1,0,1,0,0|2,0,0]=4 16582 B13R1.1067 CC(=O)CCCCOCC1(CC1)F 7a_200000703853_100000735457 [0,1,0,1,0,0|2,0,0]=4 16583 B13R1.1067 CC1(CC1)NCCCCCC(=O)N 2230a_100000757604_100009817443 [0,1,0,1,0,0|2,0,0]=4 16584 B13R1.1067 CC1(CC1)OCCCCCC(=O)N 7a_100011725673_100009817443 [0,1,0,1,0,0|2,0,0]=4 16585 B13R1.2880 CCC(=O)CN1CCC[C@H]1C(=O)O 269956a_100000743916_100000747405 [0,1,0,1,0,0|1,0,1]=4 16586 B13R1.2880 CCC(C)CN1CCC[C@H]1C(=O)N 2230a_100000003125_100000748023 [0,1,0,1,0,0|2,0,0]=4 16587 B13R1.2880 CCC(C)CN1CCC[C@H]1C(=O)N 270004a_100000003125_100000243153 [0,1,0,1,0,0|2,0,0]=4 16588 B13R1.2880 CCC(C)CN1CCC[C@H]1C(=O)O 269956a_100000743916_100000748023 [0,1,0,1,0,0|1,0,0]=3 16589 B13R1.2880 CCC(C)CN1CCSC1C(=O)O 269956a_100000035718_100000748023 [0,1,0,1,0,0|2,0,0]=4 16590 B13R1.2880 CCC(C)CN1CSC[C@H]1C(=O)O 269956a_100000743924_100000748023 [0,1,0,1,0,0|2,0,0]=4 16591 B13R1.2880 CCC(O)CN1CCC[C@H]1C(=O)N 2230a_100000003125_100011218378 [0,1,0,1,0,0|2,0,0]=4 16592 B13R1.2880 CCC(O)CN1CCC[C@H]1C(=O)O 269956a_100000743916_100011218378 [0,1,0,1,0,0|1,0,0]=3 16593 B13R1.2880 CCC(O)CN1CCSC1C(=O)O 269956a_100000035718_100011218378 [0,1,0,1,0,0|2,0,0]=4 16594 B13R1.2880 CCC(O)CN1CSC[C@H]1C(=O)O 269956a_100000743924_100011218378 [0,1,0,1,0,0|2,0,0]=4 16595 B13R1.2880 CC[C@H](C)CN1CCC[C@H]1C(=O)N 2230a_100000003125_100009816398 [0,1,0,1,0,0|2,0,0]=4 16596 B13R1.2880 CC[C@H](C)CN1CCC[C@H]1C(=O)O 269956a_100000743916_100009816398 [0,1,0,1,0,0|1,0,0]=3 16597 B13R1.2880 CC[C@H](C)CN1CCSC1C(=O)O 269956a_100000035718_100009816398 [0,1,0,1,0,0|2,0,0]=4 16598 B13R1.2880 CC[C@H](C)CN1CSC[C@H]1C(=O)O 269956a_100000743924_100009816398 [0,1,0,1,0,0|2,0,0]=4 16599 B13R1.2880 C[C@@H](CO)CN1CCC[C@H]1C(=O)O 269956a_100000743916_100000059175 [0,1,0,1,0,0|2,0,0]=4 16600 B13R1.2880 O=C(O)[C@@H]1CCCN1CC(O)CO 269956a_100000743916_100011219619 [0,1,0,1,0,0|2,0,0]=4 16601 B13R1.2880 O=C(O)[C@@H]1CCCN1C[C@@H](O)CF 269956a_100000743916_100015614560 [0,1,0,1,0,0|2,0,0]=4 16602 B13R1.2880 O=C(O)[C@@H]1CCCN1C[C@@H](O)CO 269956a_100000743916_100009815848 [0,1,0,1,0,0|2,0,0]=4 16603 B13R1.3796 CC(=O)CCN1CCCC(CC1)C 269982a_100025706717_100000053229 [0,1,0,1,0,0|2,0,0]=4 16604 B13R1.3796 CC(=O)CCN1CCCC(CC1)O 269982a_100015186869_100000053229 [0,1,0,1,0,0|2,0,0]=4 16605 B13R1.3796 CC1CCCN(CC1)CCC(=O)N 2230a_100025706717_100000744528 [0,1,0,1,0,0|2,0,0]=4 16606 B13R1.3796 CC1CCCN(CC1)CCC(=O)N 269982a_100025706717_100000744528 [0,1,0,1,0,0|2,0,0]=4 16607 B13R1.3796 CC1CCCN(CC1)CCC(=O)N 34a_100025706717_100000731001 [0,1,0,1,0,0|2,0,0]=4 16608 B13R1.3796 NC(=O)CCN1CCCC(CC1)O 2230a_100015186869_100000744528 [0,1,0,1,0,0|2,0,0]=4 16609 B13R1.3796 NC(=O)CCN1CCCC(CC1)O 269982a_100015186869_100000744528 [0,1,0,1,0,0|2,0,0]=4 16610 B13R1.23 CCCCCC(=O)C1CCC(=O)N1 1458a_100000210400_100000210326 [0,1,0,1,0,0|1,0,1]=4 16611 B13R1.23 CCCCCC(=O)[C@@H]1CCC(=O)O1 1458a_100009814974_100000210326 [0,1,0,1,0,0|0,0,1]=3 16612 B13R1.23 CCCCNC(=O)[C@@H]1CCC(=O)O1 11a_100000102301_100009814974 [0,1,0,1,0,0|1,0,1]=4 16613 B13R1.23 CCCCNC(=O)[C@@H]1CCC(=O)O1 1626a_100000102301_100009814974 [0,1,0,1,0,0|1,0,1]=4 16614 B13R1.23 CCCCNC(=O)[C@@H]1CCC(=O)O1 240690a_100000102301_100009814974 [0,1,0,1,0,0|1,0,1]=4 16615 B13R1.23 CCCCNC(=O)[C@@H]1CCC(=O)O1 527a_100000102301_100009814974 [0,1,0,1,0,0|1,0,1]=4 16616 B13R1.23 CCOCCC(=O)[C@@H]1CCC(=O)O1 1458a_100009814974_100011215890 [0,1,0,1,0,0|1,0,1]=4 16617 B13R1.23 CCSCCC(=O)[C@@H]1CCC(=O)O1 1458a_100009814974_100000757381 [0,1,0,1,0,0|1,0,1]=4 16618 B13R1.23 COCCCC(=O)[C@@H]1CCC(=O)O1 1458a_100009814974_100000740836 [0,1,0,1,0,0|1,0,1]=4 16619 B13R1.23 O=C1CC[C@H](O1)C(=O)CCCCF 1458a_100009814974_100000729493 [0,1,0,1,0,0|1,0,1]=4 16620 B13R1.23 O=C1CC[C@H](O1)C(=O)CCCCO 1458a_100009814974_100000210776 [0,1,0,1,0,0|1,0,1]=4 16621 B13R1.149 CC(=O)CCCN1CCCC(C1)F 269982a_100000697950_100011215641 [0,1,0,1,0,0|2,0,0]=4 16622 B13R1.149 CC(=O)CCCN1CCCC(C1)F 34a_100000697950_100000685027 [0,1,0,1,0,0|2,0,0]=4 16623 B13R1.149 CC(=O)CCCN1CCCC(C1)O 269982a_100000211013_100011215641 [0,1,0,1,0,0|2,0,0]=4 16624 B13R1.149 CC(=O)CCCN1CCC[C@@H](C1)C 269982a_100000717927_100011215641 [0,1,0,1,0,0|2,0,0]=4 16625 B13R1.149 CC(=O)CCCN1CCC[C@@H](C1)C 34a_100000717927_100000685027 [0,1,0,1,0,0|2,0,0]=4 16626 B13R1.149 CC(C)CCOC1CCCC(=O)C1 34a_100012613340_100000210312 [0,1,0,1,0,0|2,0,0]=4 16627 B13R1.149 CC(C)COCC1CCCC(=O)N1 34a_200000102386_100000210624 [0,1,0,1,0,0|2,0,0]=4 16628 B13R1.149 CC(O)CCOC1CCCC(=O)C1 34a_100012613340_100012276601 [0,1,0,1,0,0|2,0,0]=4 16629 B13R1.149 CC(O)COCC1CCCC(=O)N1 34a_200000102386_100011218427 [0,1,0,1,0,0|2,0,0]=4 16630 B13R1.149 CC1CCCC(C1)NCCC(=O)N 2230a_100011194320_100000744528 [0,1,0,1,0,0|2,0,0]=4 16631 B13R1.149 CC1CCCC(C1)NCCC(=O)N 34a_100011194320_100000731001 [0,1,0,1,0,0|2,0,0]=4 16632 B13R1.149 CC1CCCC(C1)OCCC(=O)N 34a_100000211399_100000731001 [0,1,0,1,0,0|2,0,0]=4 16633 B13R1.149 CN1CCCC(C1)CNCC(=O)O 269956a_100016091260_100000752043 [0,1,0,1,0,0|2,0,0]=4 16634 B13R1.149 C[C@@H](O)COCC1CCCC(=O)N1 34a_200000102386_100009817552 [0,1,0,1,0,0|2,0,0]=4 16635 B13R1.149 C[C@H]1CCCN(C1)CCCC(=O)N 269982a_100000717927_100102525003 [0,1,0,1,0,0|2,0,0]=4 16636 B13R1.149 C[C@H]1CCCN(C1)CCCC(=O)N 34a_100000717927_100102525003 [0,1,0,1,0,0|2,0,0]=4 16637 B13R1.149 NC(=O)CCCN1CCCC(C1)F 269982a_100000697950_100102525003 [0,1,0,1,0,0|2,0,0]=4 16638 B13R1.149 NC(=O)CCCN1CCCC(C1)F 34a_100000697950_100102525003 [0,1,0,1,0,0|2,0,0]=4 16639 B13R1.149 NC(=O)CCCN1CCCC(C1)O 269982a_100000211013_100102525003 [0,1,0,1,0,0|2,0,0]=4 16640 B13R1.149 NC(=O)CCNC1CCCC(C1)O 2230a_100015190357_100000744528 [0,1,0,1,0,0|2,0,0]=4 16641 B13R1.149 NC(=O)CNCC1CCCC(C1)O 2230a_100011254705_100000747473 [0,1,0,1,0,0|2,0,0]=4 16642 B13R1.280 O=C(O)CNC1CCCCCC1=O 269956a_100016091260_100000243696 [0,1,0,1,0,0|1,0,1]=4 16643 B13R1.342 CC(=O)CCCC(=O)C1CCCC1 1458a_100000210718_100011215641 [0,1,0,1,0,0|1,0,1]=4 16644 B13R1.342 CC(=O)CCCN(C)C1CCCC1 269982a_100000207505_100011215641 [0,1,0,1,0,0|2,0,0]=4 16645 B13R1.342 CC(=O)CCCN(C)C1CCCC1 34a_100000207505_100000685027 [0,1,0,1,0,0|2,0,0]=4 16646 B13R1.342 CC(=O)CCOC(C)C1CCCC1 7a_100011216366_100000053229 [0,1,0,1,0,0|2,0,0]=4 16647 B13R1.342 CC(CNCC(=O)O)N1CCCC1 269956a_100016091260_200015187269 [0,1,0,1,0,0|2,0,0]=4 16648 B13R1.342 CC(NCCC(=O)N)C1CCCC1 2230a_100015185923_100000744528 [0,1,0,1,0,0|2,0,0]=4 16649 B13R1.342 CC(NCCC(=O)N)C1CCCC1 269862a_100000740010_100000749594 [0,1,0,1,0,0|2,0,0]=4 16650 B13R1.342 CC(NCCC(=O)N)C1CCCC1 34a_100015185923_100000731001 [0,1,0,1,0,0|2,0,0]=4 16651 B13R1.342 CC(OCCC(=O)N)C1CCCC1 34a_100011216366_100000731001 [0,1,0,1,0,0|2,0,0]=4 16652 B13R1.342 CC(OCCC(=O)N)C1CCCC1 7a_100011216366_100000744528 [0,1,0,1,0,0|2,0,0]=4 16653 B13R1.342 CN(CCCC(=O)N)C1CCCC1 269982a_100000207505_100102525003 [0,1,0,1,0,0|2,0,0]=4 16654 B13R1.342 CN(CCCC(=O)N)C1CCCC1 34a_100000207505_100102525003 [0,1,0,1,0,0|2,0,0]=4 16655 B13R1.342 CN(CCCC(=O)O)C1CCCC1 269956a_100000719178_100000179811 [0,1,0,1,0,0|1,0,0]=3 16656 B13R1.342 CN(CCCC(=O)O)C1CCOC1 269956a_100000719178_100000731011 [0,1,0,1,0,0|2,0,0]=4 16657 B13R1.342 NC(=O)CCCC(=O)C1CCCC1 1458a_100000210718_100102525003 [0,1,0,1,0,0|1,0,1]=4 16658 B13R1.356 CCCN1CC(CCC1C(=O)O)O 269956a_100000089875_100000210207 [0,1,0,1,0,0|1,0,0]=3 16659 B13R1.356 COCN1CC(CCC1C(=O)O)O 269956a_100000089875_100000766300 [0,1,0,1,0,0|2,0,0]=4 16660 B13R1.356 CSCN1CC(CCC1C(=O)O)O 269956a_100000089875_100011218213 [0,1,0,1,0,0|2,0,0]=4 16661 B13R1.356 O=C(O)C1CCC(CN1CCF)O 269956a_100000089875_100011217306 [0,1,0,1,0,0|2,0,0]=4 16662 B13R1.356 O=C(O)C1CCC(CN1CCO)O 269956a_100000089875_100000211926 [0,1,0,1,0,0|2,0,0]=4 16663 B13R1.658 CCCCCN1CCC(C1)C(=O)N 2230a_100000752358_100000210326 [0,1,0,1,0,0|2,0,0]=4 16664 B13R1.658 CCCCCN1CCC(C1)C(=O)N 269982a_100000752358_100000210215 [0,1,0,1,0,0|2,0,0]=4 16665 B13R1.658 CCCCCN1CCC(C1)C(=O)N 34a_100000752358_100000718602 [0,1,0,1,0,0|2,0,0]=4 16666 B13R1.658 CCCCN[C@H]1CC[C@H](C1)C(=O)O 269956a_100015195206_100000210211 [0,1,0,1,0,0|1,0,0]=3 16667 B13R1.658 CCOCN[C@H]1CC[C@H](C1)C(=O)O 269956a_100015195206_100000739092 [0,1,0,1,0,0|2,0,0]=4 16668 B13R1.658 COCCN[C@H]1CC[C@H](C1)C(=O)O 269956a_100015195206_100000233755 [0,1,0,1,0,0|2,0,0]=4 16669 B13R1.658 CSCCN[C@H]1CC[C@H](C1)C(=O)O 269956a_100015195206_100000212216 [0,1,0,1,0,0|2,0,0]=4 16670 B13R1.658 O=C(O)[C@@H]1CC[C@@H](C1)NCCCF 269956a_100015195206_100011934791 [0,1,0,1,0,0|2,0,0]=4 16671 B13R1.658 O=C(O)[C@@H]1CC[C@@H](C1)NCCCO 269956a_100015195206_100011215043 [0,1,0,1,0,0|2,0,0]=4 16672 B13R1.727 CCCCCC(=O)CC1CC(=O)C1 1458a_100000212188_100009874392 [0,1,0,1,0,0|1,0,1]=4 16673 B13R1.727 CCCCCC(C)SC1CC(=O)C1 62a_100009894365_200011218191 [0,1,0,1,0,0|2,0,0]=4 16674 B13R1.727 CCCCCN(C)CC1CC(=O)C1 2230a_100000223495_100009874392 [0,1,0,1,0,0|2,0,0]=4 16675 B13R1.727 CCCCCN(C)CC1CC(=O)C1 269982a_100000223495_100009874392 [0,1,0,1,0,0|2,0,0]=4 16676 B13R1.1047 CC(=O)CCCC(=O)CC1CCC1 1458a_100000763092_100011215641 [0,1,0,1,0,0|1,0,1]=4 16677 B13R1.1047 CC(=O)CCCN(C)CC1CCC1 269982a_200000750244_100011215641 [0,1,0,1,0,0|2,0,0]=4 16678 B13R1.1047 CC(=O)CCCN(C)CC1CCC1 34a_200000750244_100000685027 [0,1,0,1,0,0|2,0,0]=4 16679 B13R1.1047 CN(CCCC(=O)N)CC1CCC1 269982a_200000750244_100102525003 [0,1,0,1,0,0|2,0,0]=4 16680 B13R1.1047 CN(CCCC(=O)N)CC1CCC1 34a_200000750244_100102525003 [0,1,0,1,0,0|2,0,0]=4 16681 B13R1.1047 CN(CCCC(=O)O)CC1CCC1 269956a_100000719178_100000763275 [0,1,0,1,0,0|1,0,0]=3 16682 B13R1.1047 CN(CCCC(=O)O)CC1CCO1 269956a_100000719178_100000103362 [0,1,0,1,0,0|2,0,0]=4 16683 B13R1.1047 CN(CCCC(=O)O)CC1COC1 269956a_100000719178_100010264016 [0,1,0,1,0,0|2,0,0]=4 16684 B13R1.1047 NC(=O)CCCC(=O)CC1CCC1 1458a_100000763092_100102525003 [0,1,0,1,0,0|1,0,1]=4 16685 B13R1.1048 CC(=O)CCCC(=O)CCC1CC1 1458a_100000756386_100011215641 [0,1,0,1,0,0|1,0,1]=4 16686 B13R1.1048 CC(CCCC(=O)[O-])OCC1CC1 7a_100000761597_100000742324 [0,1,0,1,0,0|1,0,1]=4 16687 B13R1.1048 CN(CCCC(=O)O)CCC1CC1 269956a_100000719178_100000694398 [0,1,0,1,0,0|1,0,0]=3 16688 B13R1.1048 CN(CCCC(=O)O)CCC1CO1 269956a_100000719178_100000732470 [0,1,0,1,0,0|2,0,0]=4 16689 B13R1.1048 NC(=O)CCCC(=O)CCC1CC1 1458a_100000756386_100102525003 [0,1,0,1,0,0|1,0,1]=4 16690 B13R1.1988 C=C(Br)CCOC1CCCCCC1 34a_100009813270_100011217769 [0,1,0,1,0,0|2,0,0]=4 16691 B13R1.1988 C=C(C)CCNC1CCCCCC1 2230a_100000210984_100000730704 [0,1,0,1,0,0|2,0,0]=4 16692 B13R1.1988 C=C(C)CCNC1CCCCCC1 34a_100000210984_100000730704 [0,1,0,1,0,0|2,0,0]=4 16693 B13R1.1988 C=C(C)CCOC1CCCCCC1 34a_100000210887_100000730704 [0,1,0,1,0,0|2,0,0]=4 16694 B13R1.1988 C=C(C)CCOC1CCCCCC1 34a_100000764851_100011217769 [0,1,0,1,0,0|2,0,0]=4 16695 B13R1.1988 C=C(C)CCOC1CCCCCC1 7a_100000210887_100000730704 [0,1,0,1,0,0|2,0,0]=4 16696 B13R1.1988 C=C(C)CCSC1CCCCCC1 62a_100000730704_100011217769 [0,1,0,1,0,0|2,0,0]=4 16697 B13R1.1988 C=C(C)CCSC1CCCCCC1 62a_100011217769_100000730704 [0,1,0,1,0,0|2,0,0]=4 16698 B13R1.1988 C=C(C)CNCC1CCCCCC1 2230a_100015204231_100000748629 [0,1,0,1,0,0|2,0,0]=4 16699 B13R1.1988 C=C(C)CNCC1CCCCCC1 34a_100015204231_100000748629 [0,1,0,1,0,0|2,0,0]=4 16700 B13R1.1988 C=C(C)COCC1CCCCCC1 34a_100000210245_200000696569 [0,1,0,1,0,0|2,0,0]=4 16701 B13R1.1988 C=C(C)COCC1CCCCCC1 34a_100000699130_100000748629 [0,1,0,1,0,0|2,0,0]=4 16702 B13R1.1988 C=C(C)COCC1CCCCCC1 7a_100000699130_100000748629 [0,1,0,1,0,0|2,0,0]=4 16703 B13R1.1988 C=C(C)CSCC1CCCCCC1 62a_100000748629_200000696569 [0,1,0,1,0,0|2,0,0]=4 16704 B13R1.1988 C=C(C)CSCC1CCCCCC1 62a_200000696569_100000211660 [0,1,0,1,0,0|2,0,0]=4 16705 B13R1.1988 C=C(F)CNCC1CCCCCC1 2230a_100015204231_100009893438 [0,1,0,1,0,0|2,0,0]=4 16706 B13R1.1988 C=C(F)CNCC1CCCCCC1 34a_100015204231_100009893438 [0,1,0,1,0,0|2,0,0]=4 16707 B13R1.1988 C=C(F)COCC1CCCCCC1 34a_100000699130_100009893438 [0,1,0,1,0,0|2,0,0]=4 16708 B13R1.1988 C=C(F)COCC1CCCCCC1 34a_200010262243_200000696569 [0,1,0,1,0,0|2,0,0]=4 16709 B13R1.1988 C=C(F)COCC1CCCCCC1 7a_100000699130_100000042424 [0,1,0,1,0,0|2,0,0]=4 16710 B13R1.1988 C=C(F)CSCC1CCCCCC1 62a_100000042424_200000696569 [0,1,0,1,0,0|2,0,0]=4 16711 B13R1.1988 C=C(F)CSCC1CCCCCC1 62a_200000696569_100000042424 [0,1,0,1,0,0|2,0,0]=4 16712 B13R1.1988 CC(=O)CCCN1CCCCCC1 269982a_100000185865_100011215641 [0,1,0,1,0,0|1,0,0]=3 16713 B13R1.1988 CC(=O)CCCN1CCCCCC1 34a_100000185865_100000685027 [0,1,0,1,0,0|1,0,0]=3 16714 B13R1.1988 CC(=O)CCCN1CCCOCC1 269982a_100000685342_100011215641 [0,1,0,1,0,0|2,0,0]=4 16715 B13R1.1988 CC(=O)CCCN1CCCOCC1 34a_100000685342_100000685027 [0,1,0,1,0,0|2,0,0]=4 16716 B13R1.1988 CC(=O)CCOC1CCCCCC1 34a_100000759926_100011217769 [0,1,0,1,0,0|1,0,0]=3 16717 B13R1.1988 CC(=O)CCOC1CCCCCC1 7a_100000210887_100000053229 [0,1,0,1,0,0|1,0,0]=3 16718 B13R1.1988 CC(=O)CCSC1CCCCCC1 62a_100000053229_100011217769 [0,1,0,1,0,0|1,0,0]=3 16719 B13R1.1988 CC(=O)CCSC1CCCCCC1 62a_100011217769_100000053229 [0,1,0,1,0,0|1,0,0]=3 16720 B13R1.1988 CC(=O)COCC1CCCCCC1 34a_100000211253_200000696569 [0,1,0,1,0,0|1,0,0]=3 16721 B13R1.1988 CC(=O)NCCC1CCCCCC1 11a_100011532351_100015343762 [0,1,0,1,0,0|1,0,0]=3 16722 B13R1.1988 CC(=O)NCCC1CCCCCC1 1626a_100011532351_100015343762 [0,1,0,1,0,0|1,0,0]=3 16723 B13R1.1988 CC(=O)NCCC1CCCCCC1 240690a_100011532351_100015343762 [0,1,0,1,0,0|1,0,0]=3 16724 B13R1.1988 CC(=O)NCCC1CCCCCC1 527a_100011532351_100103153847 [0,1,0,1,0,0|1,0,0]=3 16725 B13R1.1988 CC(=O)NCCN1CCCCCC1 11a_100000738142_100015343762 [0,1,0,1,0,0|2,0,0]=4 16726 B13R1.1988 CC(=O)NCCN1CCCCCC1 2230a_100000185865_100000189650 [0,1,0,1,0,0|2,0,0]=4 16727 B13R1.1988 CC(=O)NCCN1CCCCCC1 240690a_100000738142_100015343762 [0,1,0,1,0,0|2,0,0]=4 16728 B13R1.1988 CC(=O)NCCN1CCCCCC1 269982a_100000185865_100000189650 [0,1,0,1,0,0|2,0,0]=4 16729 B13R1.1988 CC(=O)NCCN1CCCCCC1 527a_100000738142_100103153847 [0,1,0,1,0,0|2,0,0]=4 16730 B13R1.1988 CC(=O)OCCN1CCCCCC1 269982a_100000185865_100009814007 [0,1,0,1,0,0|2,0,0]=4 16731 B13R1.1988 CC(=O)OCCN1CCCCCC1 34a_100000185865_100009814007 [0,1,0,1,0,0|2,0,0]=4 16732 B13R1.1988 CC(=O)OCNC1CCCCCC1 34a_100000210984_100009813279 [0,1,0,1,0,0|2,0,0]=4 16733 B13R1.1988 CC(=O)OCOC1CCCCCC1 34a_100000210887_100009813279 [0,1,0,1,0,0|2,0,0]=4 16734 B13R1.1988 CC(=O)OCSC1CCCCCC1 62a_100000076356_100011217769 [0,1,0,1,0,0|2,0,0]=4 16735 B13R1.1988 CC(=O)OCSC1CCCCCC1 62a_100011217769_100000076356 [0,1,0,1,0,0|2,0,0]=4 16736 B13R1.1988 CC(O)CCCN1CCCCCC1 2230a_100000185865_200000718107 [0,1,0,1,0,0|1,0,1]=4 16737 B13R1.1988 CC(O)CCCN1CCCCCC1 269982a_100000185865_200000718107 [0,1,0,1,0,0|1,0,1]=4 16738 B13R1.1988 CC(O)CCCN1CCCCCC1 34a_100000185865_200000718107 [0,1,0,1,0,0|1,0,1]=4 16739 B13R1.1988 CC(O)CCNC1CCCCCC1 2230a_100000210984_100012276601 [0,1,0,1,0,0|1,0,1]=4 16740 B13R1.1988 CC(O)CCNC1CCCCCC1 270004a_200000755665_100000210131 [0,1,0,1,0,0|1,0,1]=4 16741 B13R1.1988 CC(O)CCNC1CCCCCC1 34a_100000210984_100012276601 [0,1,0,1,0,0|1,0,1]=4 16742 B13R1.1988 CC(O)CCOC1CCCCCC1 34a_100000210887_100012276601 [0,1,0,1,0,0|1,0,1]=4 16743 B13R1.1988 CC(O)CCOC1CCCCCC1 7a_100000210887_100012276601 [0,1,0,1,0,0|1,0,1]=4 16744 B13R1.1988 CC(O)CCSC1CCCCCC1 62a_100011217769_100012276601 [0,1,0,1,0,0|1,0,1]=4 16745 B13R1.1988 CC(O)CCSC1CCCCCC1 62a_100012276601_100011217769 [0,1,0,1,0,0|1,0,1]=4 16746 B13R1.1988 CC(O)CNCC1CCCCCC1 2230a_100000210904_200000696569 [0,1,0,1,0,0|1,0,1]=4 16747 B13R1.1988 CC(O)CNCC1CCCCCC1 2230a_100015204231_100011218427 [0,1,0,1,0,0|1,0,1]=4 16748 B13R1.1988 CC(O)CNCC1CCCCCC1 269862a_100000210904_200000763224 [0,1,0,1,0,0|1,0,1]=4 16749 B13R1.1988 CC(O)CNCC1CCCCCC1 34a_100000210904_200000696569 [0,1,0,1,0,0|1,0,1]=4 16750 B13R1.1988 CC(O)CNCC1CCCCCC1 34a_100015204231_100011218427 [0,1,0,1,0,0|1,0,1]=4 16751 B13R1.1988 CC(O)COCC1CCCCCC1 34a_100000699130_100011218427 [0,1,0,1,0,0|1,0,1]=4 16752 B13R1.1988 CC(O)COCC1CCCCCC1 7a_100000699130_100011218427 [0,1,0,1,0,0|1,0,1]=4 16753 B13R1.1988 CC(O)CSCC1CCCCCC1 62a_100011218427_200000696569 [0,1,0,1,0,0|1,0,1]=4 16754 B13R1.1988 CC(O)CSCC1CCCCCC1 62a_200000696569_100011218427 [0,1,0,1,0,0|1,0,1]=4 16755 B13R1.1988 C[C@@H](O)CNCC1CCCCCC1 2230a_100015204231_100009817552 [0,1,0,1,0,0|1,0,1]=4 16756 B13R1.1988 C[C@@H](O)CNCC1CCCCCC1 34a_100015204231_100009817552 [0,1,0,1,0,0|1,0,1]=4 16757 B13R1.1988 C[C@@H](O)COCC1CCCCCC1 34a_100000699130_100009817552 [0,1,0,1,0,0|1,0,1]=4 16758 B13R1.1988 C[C@@H](O)COCC1CCCCCC1 7a_100000699130_100009817552 [0,1,0,1,0,0|1,0,1]=4 16759 B13R1.1988 C[C@@H](O)CSCC1CCCCCC1 62a_100009817552_200000696569 [0,1,0,1,0,0|1,0,1]=4 16760 B13R1.1988 C[C@@H](O)CSCC1CCCCCC1 62a_200000696569_100009817552 [0,1,0,1,0,0|1,0,1]=4 16761 B13R1.1988 NC(=O)CCCN1CCCCCC1 269982a_100000185865_100102525003 [0,1,0,1,0,0|1,0,0]=3 16762 B13R1.1988 NC(=O)CCCN1CCCCCC1 34a_100000185865_100102525003 [0,1,0,1,0,0|1,0,0]=3 16763 B13R1.1988 NC(=O)CCCN1CCCOCC1 269982a_100000685342_100102525003 [0,1,0,1,0,0|2,0,0]=4 16764 B13R1.1988 NC(=O)CCCN1CCCOCC1 34a_100000685342_100102525003 [0,1,0,1,0,0|2,0,0]=4 16765 B13R1.1988 NC(=O)CCNC1CCCCCC1 2230a_100000210984_100000744528 [0,1,0,1,0,0|1,0,0]=3 16766 B13R1.1988 NC(=O)CCNC1CCCCCC1 34a_100000210984_100000731001 [0,1,0,1,0,0|1,0,0]=3 16767 B13R1.1988 NC(=O)CCOC1CCCCCC1 34a_100000210887_100000731001 [0,1,0,1,0,0|1,0,0]=3 16768 B13R1.1988 NC(=O)CCOC1CCCCCC1 34a_100000757172_100011217769 [0,1,0,1,0,0|1,0,0]=3 16769 B13R1.1988 NC(=O)CCOC1CCCCCC1 7a_100000210887_100000744528 [0,1,0,1,0,0|1,0,0]=3 16770 B13R1.1988 NC(=O)CCSC1CCCCCC1 62a_100000744528_100011217769 [0,1,0,1,0,0|1,0,0]=3 16771 B13R1.1988 NC(=O)CCSC1CCCCCC1 62a_100011217769_100000744528 [0,1,0,1,0,0|1,0,0]=3 16772 B13R1.1988 NC(=O)CNCC1CCCCCC1 2230a_100000711301_200000696569 [0,1,0,1,0,0|1,0,0]=3 16773 B13R1.1988 NC(=O)CNCC1CCCCCC1 2230a_100015204231_100000747473 [0,1,0,1,0,0|1,0,0]=3 16774 B13R1.1988 NC(=O)CNCC1CCCCCC1 34a_100015204231_100000187820 [0,1,0,1,0,0|1,0,0]=3 16775 B13R1.1988 NC(=O)COCC1CCCCCC1 34a_100000699130_100000187820 [0,1,0,1,0,0|1,0,0]=3 16776 B13R1.1988 NC(=O)COCC1CCCCCC1 7a_100000699130_100000187820 [0,1,0,1,0,0|1,0,0]=3 16777 B13R1.1988 NC(=O)CSCC1CCCCCC1 62a_100000747473_200000696569 [0,1,0,1,0,0|1,0,0]=3 16778 B13R1.1988 NC(=O)CSCC1CCCCCC1 62a_200000696569_100000747473 [0,1,0,1,0,0|1,0,0]=3 16779 B13R1.1988 NC(=O)NCCN1CCCCCC1 2230a_100000185865_200000034859 [0,1,0,1,0,0|2,0,0]=4 16780 B13R1.1988 NC(=O)NCCN1CCCCCC1 269982a_100000185865_200000034859 [0,1,0,1,0,0|2,0,0]=4 16781 B13R1.1988 NC(=O)OCCN1CCCCCC1 269982a_100000185865_200011214921 [0,1,0,1,0,0|2,0,0]=4 16782 B13R1.1988 NC(=O)OCCN1CCCCCC1 34a_100000185865_200011214921 [0,1,0,1,0,0|2,0,0]=4 16783 B13R1.1988 O=C(O)CNCC1CCCCCC1 269956a_100016091260_200000696569 [0,1,0,1,0,0|0,0,0]=2 16784 B13R1.1988 O=C(O)CONC1CCCCCC1 269956a_100000106656_100011217769 [0,1,0,1,0,0|1,0,0]=3 16785 B13R1.1988 O=C([O-])CNCC1CCCCCC1 34a_100015204231_100020667443 [0,1,0,1,0,0|0,0,1]=3 16786 B13R1.1988 O=C([O-])COCC1CCCCCC1 34a_100000699130_100020667443 [0,1,0,1,0,0|0,0,1]=3 16787 B13R1.1988 O=C([O-])CSCC1CCCCCC1 62a_100020667443_200000696569 [0,1,0,1,0,0|0,0,1]=3 16788 B13R1.1988 O=C([O-])CSCC1CCCCCC1 62a_200000696569_100020667443 [0,1,0,1,0,0|0,0,1]=3 16789 B13R1.1988 O=[N+]([O-])CNCC1CCCCCC1 34a_100015204231_100000761209 [0,1,0,1,0,0|1,0,1]=4 16790 B13R1.1988 O=[N+]([O-])COCC1CCCCCC1 34a_100000699130_100000761209 [0,1,0,1,0,0|1,0,1]=4 16791 B13R1.1988 O=[N+]([O-])CSCC1CCCCCC1 62a_200000696569_100000761209 [0,1,0,1,0,0|1,0,1]=4 16792 B13R1.2294 CCC1CC1C(=O)CCCC(=O)C 1458a_200011661523_100011215641 [0,1,0,1,0,0|1,0,1]=4 16793 B13R1.2294 CCC1CC1C(=O)CCCC(=O)N 1458a_200011661523_100102525003 [0,1,0,1,0,0|1,0,1]=4 16794 B13R1.3787 CC(=O)CCN1C(CCCC1C)C 269982a_100000210447_100000053229 [0,1,0,1,0,0|2,0,0]=4 16795 B13R1.3787 CC1CCCC(C1OCC(=O)N)C 34a_100011218088_100000187820 [0,1,0,1,0,0|2,0,0]=4 16796 B13R1.3787 CC1CCCC(C1OCC(=O)N)C 7a_100011218088_100000187820 [0,1,0,1,0,0|2,0,0]=4 16797 B13R1.3787 CC1CCCC(C1OCC(=O)[O-])C 34a_100011218088_100020667443 [0,1,0,1,0,0|1,0,1]=4 16798 B13R1.3787 CC1CCCC(N1CCC(=O)N)C 2230a_100000210447_100000744528 [0,1,0,1,0,0|2,0,0]=4 16799 B13R1.3787 CC1CCCC(N1CCC(=O)N)C 269982a_100000210447_100000744528 [0,1,0,1,0,0|2,0,0]=4 16800 B13R1.3787 CC1CCCC(N1CCC(=O)N)C 34a_100000210447_100000731001 [0,1,0,1,0,0|2,0,0]=4 16801 B13R1.5134 CC(=O)CCOC1(CCCCC1)C 7a_100011215885_100000053229 [0,1,0,1,0,0|2,0,0]=4 16802 B13R1.5134 CC(=O)NCCC1(CCCCC1)O 11a_100102740465_100015343762 [0,1,0,1,0,0|2,0,0]=4 16803 B13R1.5134 CC(=O)NCCC1(CCCCC1)O 1626a_100102740465_100015343762 [0,1,0,1,0,0|2,0,0]=4 16804 B13R1.5134 CC(=O)NCCC1(CCCCC1)O 240690a_100102740465_100015343762 [0,1,0,1,0,0|2,0,0]=4 16805 B13R1.5134 CC(=O)NCCC1(CCCCC1)O 527a_100102740465_100103153847 [0,1,0,1,0,0|2,0,0]=4 16806 B13R1.5134 CC1(CCCCC1)CNCC(=O)N 2230a_100000706052_100000747473 [0,1,0,1,0,0|2,0,0]=4 16807 B13R1.5134 CC1(CCCCC1)CNCC(=O)N 34a_100000706052_100000187820 [0,1,0,1,0,0|2,0,0]=4 16808 B13R1.5134 CC1(CCCCC1)CNCC(=O)[O-] 34a_100000706052_100020667443 [0,1,0,1,0,0|1,0,1]=4 16809 B13R1.5134 CC1(CCCCC1)COCC(=O)N 34a_100000688186_100000187820 [0,1,0,1,0,0|2,0,0]=4 16810 B13R1.5134 CC1(CCCCC1)COCC(=O)N 7a_100000688186_100000187820 [0,1,0,1,0,0|2,0,0]=4 16811 B13R1.5134 CC1(CCCCC1)COCC(=O)[O-] 34a_100000688186_100020667443 [0,1,0,1,0,0|1,0,1]=4 16812 B13R1.5134 CC1(CCCCC1)NCCC(=O)N 2230a_100000741114_100000744528 [0,1,0,1,0,0|2,0,0]=4 16813 B13R1.5134 CC1(CCCCC1)NCCC(=O)N 34a_100000741114_100000731001 [0,1,0,1,0,0|2,0,0]=4 16814 B13R1.5134 CC1(CCCCC1)OCCC(=O)N 34a_100011215885_100000731001 [0,1,0,1,0,0|2,0,0]=4 16815 B13R1.5134 CC1(CCCCC1)OCCC(=O)N 7a_100011215885_100000744528 [0,1,0,1,0,0|2,0,0]=4 16816 B13R1.5134 NC(=O)CNCC1(CCCCC1)O 2230a_100000748649_100000747473 [0,1,0,1,0,0|2,0,0]=4 16817 B13R1.5134 NC(=O)CNCC1(CCCCC1)O 34a_100000748649_100000187820 [0,1,0,1,0,0|2,0,0]=4 16818 B13R1.5134 NC(=O)COCC1(CCCCC1)F 34a_100000090305_100000187820 [0,1,0,1,0,0|2,0,0]=4 16819 B13R1.5134 NC(=O)COCC1(CCCCC1)F 7a_100000090305_100000187820 [0,1,0,1,0,0|2,0,0]=4 16820 B13R1.5134 NC(=O)COCC1(CCCCC1)N 34a_100000740034_100000187820 [0,1,0,1,0,0|2,0,0]=4 16821 B13R1.5134 NC1(CCCCC1)COCC(=O)[O-] 34a_100000740034_100020667443 [0,1,0,1,0,0|1,0,1]=4 16822 B13R1.5134 O=C([O-])CNCC1(CCCCC1)O 34a_100000748649_100020667443 [0,1,0,1,0,0|1,0,1]=4 16823 B13R1.5134 O=C([O-])COCC1(CCCCC1)F 34a_100000090305_100020667443 [0,1,0,1,0,0|1,0,1]=4 16824 B13R1.6 CCCCCCN1CCCC(C1)O 2230a_100000211013_100000210314 [0,1,0,1,0,0|1,0,1]=4 16825 B13R1.6 CCCCCCN1CCCC(C1)O 269982a_100000211013_100000210757 [0,1,0,1,0,0|1,0,1]=4 16826 B13R1.6 CCCCCCN1CCNC(=O)C1 2230a_100000184651_100000210314 [0,1,0,1,0,0|2,0,0]=4 16827 B13R1.6 CCCCCCN1CCOC(=O)C1 2230a_100000131268_100000210314 [0,1,0,1,0,0|2,0,0]=4 16828 B13R1.6 CCCCCNC1CCCC(C1)O 2230a_100015190357_100000210326 [0,1,0,1,0,0|1,0,1]=4 16829 B13R1.6 CCCCCNC1CCCC(C1)O 270004a_100000209983_100012613340 [0,1,0,1,0,0|1,0,1]=4 16830 B13R1.6 CCCCCNC1CCNC(=O)C1 2230a_100016994916_100000210326 [0,1,0,1,0,0|2,0,0]=4 16831 B13R1.6 CCCCCNC1CCNC(=O)C1 34a_100016994916_100000718602 [0,1,0,1,0,0|2,0,0]=4 16832 B13R1.6 CCCCCOC1C=C(CCC1)C 34a_100011218613_100000718602 [0,1,0,1,0,0|2,0,0]=4 16833 B13R1.6 CCCCCOC1CCCC(=O)C1 34a_100012613340_100000718602 [0,1,0,1,0,0|1,0,0]=3 16834 B13R1.6 CCCCCO[C@@H]1CCNC(=O)C1 34a_100015189427_100000718602 [0,1,0,1,0,0|2,0,0]=4 16835 B13R1.6 CCCCNCC1CCCC(C1)O 2230a_100011254705_100000210211 [0,1,0,1,0,0|1,0,1]=4 16836 B13R1.6 CCCCOCC1CCCC(=O)N1 34a_200000102386_100000210210 [0,1,0,1,0,0|1,0,0]=3 16837 B13R1.6 CCCCOCC1CCNC(=O)C1 34a_100009886756_100000210210 [0,1,0,1,0,0|2,0,0]=4 16838 B13R1.6 CCCCOCC1COCC(=O)N1 34a_200000101122_100000210210 [0,1,0,1,0,0|2,0,0]=4 16839 B13R1.6 CCOCCOC1CCCC(=O)C1 34a_100012613340_100000210147 [0,1,0,1,0,0|2,0,0]=4 16840 B13R1.6 CCSCCOC1CCCC(=O)C1 34a_100012613340_100000757381 [0,1,0,1,0,0|2,0,0]=4 16841 B13R1.6 COCCCOC1CCCC(=O)C1 34a_100012613340_100000740836 [0,1,0,1,0,0|2,0,0]=4 16842 B13R1.6 COCCOCC1CCCC(=O)N1 34a_200000102386_100011201679 [0,1,0,1,0,0|2,0,0]=4 16843 B13R1.6 CSCCOCC1CCCC(=O)N1 34a_200000102386_100000212216 [0,1,0,1,0,0|2,0,0]=4 16844 B13R1.6 O=C1CCCC(C1)OCCCCF 34a_100012613340_100000729493 [0,1,0,1,0,0|2,0,0]=4 16845 B13R1.6 O=C1CCCC(C1)OCCCCO 34a_100012613340_100011216708 [0,1,0,1,0,0|2,0,0]=4 16846 B13R1.6 O=C1CCCC(N1)COCCCF 34a_200000102386_100011934791 [0,1,0,1,0,0|2,0,0]=4 16847 B13R1.6 O=C1CCCC(N1)COCCCO 34a_200000102386_100000230001 [0,1,0,1,0,0|2,0,0]=4 16848 B13R1.90 C=C(C)CCN1CCCCC1CC 2230a_100000210034_100000730704 [0,1,0,1,0,0|2,0,0]=4 16849 B13R1.90 C=C(C)CCN1CCCCC1CC 269982a_100000210034_100000730704 [0,1,0,1,0,0|2,0,0]=4 16850 B13R1.90 C=C(C)CCN1CCCCC1CC 34a_100000210034_100000730704 [0,1,0,1,0,0|2,0,0]=4 16851 B13R1.90 C=C(C)COC1CCCCC1CC 34a_100000210738_100000748629 [0,1,0,1,0,0|2,0,0]=4 16852 B13R1.90 C=C(C)COC1CCCCC1CC 7a_100000210738_100000748629 [0,1,0,1,0,0|2,0,0]=4 16853 B13R1.90 C=C(F)COC1CCCCC1CC 34a_100000210738_100009893438 [0,1,0,1,0,0|2,0,0]=4 16854 B13R1.90 C=C(F)COC1CCCCC1CC 7a_100000210738_100000042424 [0,1,0,1,0,0|2,0,0]=4 16855 B13R1.90 CC(=O)CCN1CCCCC1CO 269982a_100000210821_100000053229 [0,1,0,1,0,0|2,0,0]=4 16856 B13R1.90 CCC1CCCCC1NCC(C)O 269862a_100000210904_100000757040 [0,1,0,1,0,0|1,0,1]=4 16857 B13R1.90 CCC1CCCCC1NCC(C)O 270004a_100000210904_100000757040 [0,1,0,1,0,0|1,0,1]=4 16858 B13R1.90 CCC1CCCCC1OCC(=O)N 34a_100000210738_100000187820 [0,1,0,1,0,0|1,0,0]=3 16859 B13R1.90 CCC1CCCCC1OCC(=O)N 7a_100000210738_100000187820 [0,1,0,1,0,0|1,0,0]=3 16860 B13R1.90 CCC1CCCCC1OCC(=O)[O-] 34a_100000210738_100020667443 [0,1,0,1,0,0|0,0,1]=3 16861 B13R1.90 CCC1CCCCC1OCC(C)O 34a_100000210738_100011218427 [0,1,0,1,0,0|1,0,1]=4 16862 B13R1.90 CCC1CCCCC1OCC(C)O 7a_100000210738_100011218427 [0,1,0,1,0,0|1,0,1]=4 16863 B13R1.90 CCC1CCCCC1OC[C@@H](C)O 34a_100000210738_100009817552 [0,1,0,1,0,0|1,0,1]=4 16864 B13R1.90 CCC1CCCCC1OC[C@@H](C)O 7a_100000210738_100009817552 [0,1,0,1,0,0|1,0,1]=4 16865 B13R1.90 CCC1CCCCC1OC[N+](=O)[O-] 34a_100000210738_100000761209 [0,1,0,1,0,0|1,0,1]=4 16866 B13R1.90 CCC1CCCCN1CCC(=O)C 269982a_100000210034_100000053229 [0,1,0,1,0,0|1,0,0]=3 16867 B13R1.90 CCC1CCCCN1CCC(=O)N 2230a_100000210034_100000744528 [0,1,0,1,0,0|1,0,0]=3 16868 B13R1.90 CCC1CCCCN1CCC(=O)N 269982a_100000210034_100000744528 [0,1,0,1,0,0|1,0,0]=3 16869 B13R1.90 CCC1CCCCN1CCC(=O)N 34a_100000210034_100000731001 [0,1,0,1,0,0|1,0,0]=3 16870 B13R1.90 CCC1CCCCN1CCC(C)O 2230a_100000210034_100012276601 [0,1,0,1,0,0|1,0,1]=4 16871 B13R1.90 CCC1CCCCN1CCC(C)O 269982a_100000210034_100012276601 [0,1,0,1,0,0|1,0,1]=4 16872 B13R1.90 CCC1CCCCN1CCC(C)O 34a_100000210034_100012276601 [0,1,0,1,0,0|1,0,1]=4 16873 B13R1.90 CCC1CCCCN1COC(=O)C 269982a_100000210034_100000076356 [0,1,0,1,0,0|2,0,0]=4 16874 B13R1.90 CCC1CCCCN1COC(=O)C 34a_100000210034_100009813279 [0,1,0,1,0,0|2,0,0]=4 16875 B13R1.90 CCN1CCCCC1CCC(=O)O 269956a_100000694054_100000210202 [0,1,0,1,0,0|0,0,0]=2 16876 B13R1.90 CCN1CCCCC1CNC(=O)C 11a_100000754393_100015343762 [0,1,0,1,0,0|2,0,0]=4 16877 B13R1.90 CCN1CCCCC1CNC(=O)C 1626a_100000754393_100015343762 [0,1,0,1,0,0|2,0,0]=4 16878 B13R1.90 CCN1CCCCC1CNC(=O)C 240690a_100000754393_100015343762 [0,1,0,1,0,0|2,0,0]=4 16879 B13R1.90 CCN1CCCCC1CNC(=O)C 527a_100000754393_100103153847 [0,1,0,1,0,0|2,0,0]=4 16880 B13R1.90 CC[C@H]1COCCN1CCC(=O)C 269982a_100016988097_100000053229 [0,1,0,1,0,0|2,0,0]=4 16881 B13R1.90 CC[C@H]1COCCN1CCC(=O)N 2230a_100016988097_100000744528 [0,1,0,1,0,0|2,0,0]=4 16882 B13R1.90 CC[C@H]1COCCN1CCC(=O)N 269982a_100016988097_100000744528 [0,1,0,1,0,0|2,0,0]=4 16883 B13R1.90 CC[C@H]1COCCN1CCC(=O)N 34a_100016988097_100000731001 [0,1,0,1,0,0|2,0,0]=4 16884 B13R1.90 CN[C@@H]1CCCC[C@H]1OCC(=O)N 34a_100000708425_100000187820 [0,1,0,1,0,0|2,0,0]=4 16885 B13R1.90 CN[C@@H]1CCCC[C@H]1OCC(=O)[O-] 34a_100000708425_100020667443 [0,1,0,1,0,0|1,0,1]=4 16886 B13R1.90 COC1CCCCC1NCC(=O)N 34a_100011208099_100000187820 [0,1,0,1,0,0|2,0,0]=4 16887 B13R1.90 COC1CCCCC1NCC(=O)[O-] 34a_100011208099_100020667443 [0,1,0,1,0,0|1,0,1]=4 16888 B13R1.90 CO[C@H]1CCCC[C@@H]1OCC(=O)N 34a_200009815850_100000187820 [0,1,0,1,0,0|2,0,0]=4 16889 B13R1.90 CO[C@H]1CCCC[C@@H]1OCC(=O)N 7a_200009815850_100000187820 [0,1,0,1,0,0|2,0,0]=4 16890 B13R1.90 CO[C@H]1CCCC[C@@H]1OCC(=O)[O-] 34a_200009815850_100020667443 [0,1,0,1,0,0|1,0,1]=4 16891 B13R1.90 NC(=O)CCN1CCCCC1CO 2230a_100000210821_100000744528 [0,1,0,1,0,0|2,0,0]=4 16892 B13R1.90 NC(=O)CCN1CCCCC1CO 269982a_100000210821_100000744528 [0,1,0,1,0,0|2,0,0]=4 16893 B13R1.90 NC(=O)CCN1CCCCC1CO 34a_100000210821_100000731001 [0,1,0,1,0,0|2,0,0]=4 16894 B13R1.90 NCC1CCCCC1OCC(=O)N 34a_100011216029_100000187820 [0,1,0,1,0,0|2,0,0]=4 16895 B13R1.90 NCC1CCCCC1OCC(=O)[O-] 34a_100011216029_100020667443 [0,1,0,1,0,0|1,0,1]=4 16896 B13R1.90 O=C(O)CCC1CCCCN1CF 269956a_100000694054_100015361967 [0,1,0,1,0,0|1,0,0]=3 16897 B13R1.103 CC(=O)CCCN1CCC[C@@H]1CO 269982a_100000745186_100011215641 [0,1,0,1,0,0|2,0,0]=4 16898 B13R1.103 CC(=O)CCCN1CCC[C@@H]1CO 34a_100000745186_100000685027 [0,1,0,1,0,0|2,0,0]=4 16899 B13R1.103 CCC1CCCC1NCCC(=O)N 269862a_100000740010_100000749056 [0,1,0,1,0,0|1,0,0]=3 16900 B13R1.103 CCC1CCCC1NCCC(C)O 269862a_200000755665_100000749056 [0,1,0,1,0,0|1,0,1]=4 16901 B13R1.103 CCC1CCCC1NCCC(C)O 270004a_200000755665_100000749056 [0,1,0,1,0,0|1,0,1]=4 16902 B13R1.103 CCC1CCCN1CCCC(=O)C 269982a_100000754278_100011215641 [0,1,0,1,0,0|1,0,0]=3 16903 B13R1.103 CCC1CCCN1CCCC(=O)C 34a_100000754278_100000685027 [0,1,0,1,0,0|1,0,0]=3 16904 B13R1.103 CCC1CCCN1CCCC(=O)N 269982a_100000754278_100102525003 [0,1,0,1,0,0|1,0,0]=3 16905 B13R1.103 CCC1CCCN1CCCC(=O)N 34a_100000754278_100102525003 [0,1,0,1,0,0|1,0,0]=3 16906 B13R1.103 CCC1CCCN1CCCC(C)O 2230a_100000754278_200000718107 [0,1,0,1,0,0|1,0,1]=4 16907 B13R1.103 CCC1CCCN1CCCC(C)O 269982a_100000754278_200000718107 [0,1,0,1,0,0|1,0,1]=4 16908 B13R1.103 CCC1CCCN1CCCC(C)O 34a_100000754278_200000718107 [0,1,0,1,0,0|1,0,1]=4 16909 B13R1.103 CCC1CCCN1CCNC(=O)C 2230a_100000754278_100000189650 [0,1,0,1,0,0|2,0,0]=4 16910 B13R1.103 CCC1CCCN1CCNC(=O)C 269982a_100000754278_100000189650 [0,1,0,1,0,0|2,0,0]=4 16911 B13R1.103 CCC1CCCN1CCNC(=O)N 2230a_100000754278_200000034859 [0,1,0,1,0,0|2,0,0]=4 16912 B13R1.103 CCC1CCCN1CCNC(=O)N 269982a_100000754278_200000034859 [0,1,0,1,0,0|2,0,0]=4 16913 B13R1.103 CCC1CCCN1CCOC(=O)C 269982a_100000754278_100009814007 [0,1,0,1,0,0|2,0,0]=4 16914 B13R1.103 CCC1CCCN1CCOC(=O)C 34a_100000754278_100009814007 [0,1,0,1,0,0|2,0,0]=4 16915 B13R1.103 CCC1CCCN1CCOC(=O)N 269982a_100000754278_200011214921 [0,1,0,1,0,0|2,0,0]=4 16916 B13R1.103 CCC1CCCN1CCOC(=O)N 34a_100000754278_200011214921 [0,1,0,1,0,0|2,0,0]=4 16917 B13R1.103 CCN1CCCC1CNCC(=O)N 2230a_100000211693_100000747473 [0,1,0,1,0,0|2,0,0]=4 16918 B13R1.103 CCN1CCC[C@@H]1COCC(=O)N 34a_100011739246_100000187820 [0,1,0,1,0,0|2,0,0]=4 16919 B13R1.103 CCN1CCC[C@@H]1COCC(=O)N 7a_100011739246_100000187820 [0,1,0,1,0,0|2,0,0]=4 16920 B13R1.103 CCN1CCC[C@@H]1COCC(=O)[O-] 34a_100011739246_100020667443 [0,1,0,1,0,0|1,0,1]=4 16921 B13R1.103 NC(=O)CCCN1CCC[C@@H]1CO 269982a_100000745186_100102525003 [0,1,0,1,0,0|2,0,0]=4 16922 B13R1.103 NC(=O)CCCN1CCC[C@@H]1CO 34a_100000745186_100102525003 [0,1,0,1,0,0|2,0,0]=4 16923 B13R1.167 CC(=O)CCCCN1CCC[C@@H]1C 269982a_100020605311_100000735457 [0,1,0,1,0,0|1,0,0]=3 16924 B13R1.167 CC(=O)CCCCN1CCC[C@H]1C 269982a_100015189458_100000735457 [0,1,0,1,0,0|1,0,0]=3 16925 B13R1.167 CC(=O)CCCCN1CCC[C@H]1C 34a_100015189458_100009817362 [0,1,0,1,0,0|1,0,0]=3 16926 B13R1.167 CC(=O)CCCCN1CCSC1C 269982a_200011216479_100000735457 [0,1,0,1,0,0|2,0,0]=4 16927 B13R1.167 CC(=O)CCCCN1CCSC1C 34a_200011216479_100009817362 [0,1,0,1,0,0|2,0,0]=4 16928 B13R1.167 CC(=O)CCCOC1CCCC1C 34a_100011216460_100000685027 [0,1,0,1,0,0|1,0,0]=3 16929 B13R1.167 CC(=O)CCCOC1CCCC1C 7a_100011216460_100011215641 [0,1,0,1,0,0|1,0,0]=3 16930 B13R1.167 CC(=O)CCCO[C@@H]1CCC[C@H]1Cl 34a_200016002552_100000685027 [0,1,0,1,0,0|2,0,0]=4 16931 B13R1.167 CC(=O)CCCO[C@H]1CCC[C@@H]1N 34a_100000748460_100000685027 [0,1,0,1,0,0|2,0,0]=4 16932 B13R1.167 CC(=O)CCCO[C@H]1CNC[C@H]1C 34a_200015306588_100000685027 [0,1,0,1,0,0|2,0,0]=4 16933 B13R1.167 CC(=O)CCCS[C@@H]1CCC[C@H]1O 62a_100011215641_200016002552 [0,1,0,1,0,0|2,0,0]=4 16934 B13R1.167 CC(=O)CCCS[C@@H]1CCC[C@H]1O 62a_200016002552_100011215641 [0,1,0,1,0,0|2,0,0]=4 16935 B13R1.167 CC(=O)COCCC1CCCN1C 34a_100000211253_100000005710 [0,1,0,1,0,0|2,0,0]=4 16936 B13R1.167 CC(=O)NCCNC1CCCC1C 269862a_100000209853_100000752053 [0,1,0,1,0,0|2,0,0]=4 16937 B13R1.167 CC(=O)NCCOC1CCCC1C 7a_100011216460_100000189650 [0,1,0,1,0,0|2,0,0]=4 16938 B13R1.167 CC(=O)OCCCN1CCC[C@@H]1C 269982a_100020605311_100000042594 [0,1,0,1,0,0|2,0,0]=4 16939 B13R1.167 CC(=O)OCCCN1CCC[C@H]1C 269982a_100015189458_100000042594 [0,1,0,1,0,0|2,0,0]=4 16940 B13R1.167 CC(=O)OCCCN1CCC[C@H]1C 34a_100015189458_100000042594 [0,1,0,1,0,0|2,0,0]=4 16941 B13R1.167 CC(=O)OCCOC1CCCC1C 34a_100011216460_100009814007 [0,1,0,1,0,0|2,0,0]=4 16942 B13R1.167 CC(=O)OCCOC1CCCC1C 7a_100011216460_100009814007 [0,1,0,1,0,0|2,0,0]=4 16943 B13R1.167 CC(=O)SCCCN1CCC[C@@H]1C 2230a_100020605311_100000038929 [0,1,0,1,0,0|2,0,0]=4 16944 B13R1.167 CC(=O)SCCCN1CCC[C@@H]1C 269982a_100020605311_100000038929 [0,1,0,1,0,0|2,0,0]=4 16945 B13R1.167 CC(=O)SCCCN1CCC[C@H]1C 2230a_100015189458_100000038929 [0,1,0,1,0,0|2,0,0]=4 16946 B13R1.167 CC(=O)SCCCN1CCC[C@H]1C 269982a_100015189458_100000038929 [0,1,0,1,0,0|2,0,0]=4 16947 B13R1.167 CC(=O)SCCCN1CCC[C@H]1C 34a_100015189458_100000038929 [0,1,0,1,0,0|2,0,0]=4 16948 B13R1.167 CC(=O)SCCNC1CCCC1C 269862a_100020647217_100000752053 [0,1,0,1,0,0|2,0,0]=4 16949 B13R1.167 CC(O)CCCOC1CCCC1C 34a_100011216460_200000718107 [0,1,0,1,0,0|1,0,1]=4 16950 B13R1.167 CC(O)CCCOC1CCCC1C 7a_100011216460_200000718107 [0,1,0,1,0,0|1,0,1]=4 16951 B13R1.167 CC1CCCC1NCCCC(=O)N 269862a_100000739312_100000752053 [0,1,0,1,0,0|1,0,0]=3 16952 B13R1.167 CC1CCCC1NCCNC(=O)N 269862a_100020590234_100000752053 [0,1,0,1,0,0|2,0,0]=4 16953 B13R1.167 CC1CCCC1OCCCC(=O)N 34a_100011216460_100102525003 [0,1,0,1,0,0|1,0,0]=3 16954 B13R1.167 CC1CCCC1OCCCC(=O)N 7a_100011216460_100102525003 [0,1,0,1,0,0|1,0,0]=3 16955 B13R1.167 CC1CCCC1OCCNC(=O)N 7a_100011216460_200000034859 [0,1,0,1,0,0|2,0,0]=4 16956 B13R1.167 CC1CCCC1OCCOC(=O)N 34a_100011216460_200011214921 [0,1,0,1,0,0|2,0,0]=4 16957 B13R1.167 CC1CCCC1OCCOC(=O)N 7a_100011216460_200011214921 [0,1,0,1,0,0|2,0,0]=4 16958 B13R1.167 CN1CCCC1CCNCC(=O)N 2230a_100000711301_100000005710 [0,1,0,1,0,0|2,0,0]=4 16959 B13R1.167 CN1CCCC1CCNCC(=O)O 269956a_100016091260_100000005710 [0,1,0,1,0,0|1,0,0]=3 16960 B13R1.167 CN1CCCC1CCOCC(=O)N 34a_100011215177_100000187820 [0,1,0,1,0,0|2,0,0]=4 16961 B13R1.167 CN1CCCC1CCOCC(=O)N 7a_100011215177_100000187820 [0,1,0,1,0,0|2,0,0]=4 16962 B13R1.167 CN1CCCC1CCOCC(=O)[O-] 34a_100011215177_100020667443 [0,1,0,1,0,0|1,0,1]=4 16963 B13R1.167 CN1CCCC1CCSCC(=O)N 62a_100000005710_100000747473 [0,1,0,1,0,0|2,0,0]=4 16964 B13R1.167 CN1CCCC1CCSCC(=O)N 62a_100000747473_100000005710 [0,1,0,1,0,0|2,0,0]=4 16965 B13R1.167 CN1CCCC1CCSCC(=O)[O-] 62a_100000005710_100020667443 [0,1,0,1,0,0|1,0,1]=4 16966 B13R1.167 CN1CCCC1CCSCC(=O)[O-] 62a_100020667443_100000005710 [0,1,0,1,0,0|1,0,1]=4 16967 B13R1.167 CN1CCCC1COCCC(=O)N 34a_100000743107_100000731001 [0,1,0,1,0,0|2,0,0]=4 16968 B13R1.167 C[C@@H]1CCCN1CCCCB(O)O 2230a_100015189458_200009817182 [0,1,0,1,0,0|1,0,1]=4 16969 B13R1.167 C[C@@H]1CCCN1CCCCB(O)O 269982a_100015189458_200009817182 [0,1,0,1,0,0|1,0,1]=4 16970 B13R1.167 C[C@@H]1CCCN1CCCCB(O)O 34a_100015189458_200009817182 [0,1,0,1,0,0|1,0,1]=4 16971 B13R1.167 C[C@@H]1CCCN1CCOCC(=O)N 2230a_100015189458_100000076697 [0,1,0,1,0,0|2,0,0]=4 16972 B13R1.167 C[C@@H]1CCCN1CCOCC(=O)N 269982a_100015189458_100000076697 [0,1,0,1,0,0|2,0,0]=4 16973 B13R1.167 C[C@@H]1CCCN1CCOCC(=O)N 34a_100015189458_100000076697 [0,1,0,1,0,0|2,0,0]=4 16974 B13R1.167 C[C@@H]1CNC[C@@H]1OCCCC(=O)N 34a_200015306588_100102525003 [0,1,0,1,0,0|2,0,0]=4 16975 B13R1.167 C[C@H]1CCCN1CCCCB(O)O 2230a_100020605311_200009817182 [0,1,0,1,0,0|1,0,1]=4 16976 B13R1.167 C[C@H]1CCCN1CCCCB(O)O 269982a_100020605311_200009817182 [0,1,0,1,0,0|1,0,1]=4 16977 B13R1.167 C[C@H]1CCCN1CCOCC(=O)N 2230a_100020605311_100000076697 [0,1,0,1,0,0|2,0,0]=4 16978 B13R1.167 C[C@H]1CCCN1CCOCC(=O)N 269982a_100020605311_100000076697 [0,1,0,1,0,0|2,0,0]=4 16979 B13R1.167 NC(=O)CCCO[C@@H]1CCC[C@H]1Cl 34a_200016002552_100102525003 [0,1,0,1,0,0|2,0,0]=4 16980 B13R1.167 NC(=O)CCCO[C@H]1CCC[C@@H]1N 34a_100000748460_100102525003 [0,1,0,1,0,0|2,0,0]=4 16981 B13R1.167 NC(=O)CCCS[C@@H]1CCC[C@H]1O 62a_100102525003_200016002552 [0,1,0,1,0,0|2,0,0]=4 16982 B13R1.167 NC(=O)CCCS[C@@H]1CCC[C@H]1O 62a_200016002552_100102525003 [0,1,0,1,0,0|2,0,0]=4 16983 B13R1.193 CCCCCN[C@@H]1CCC[C@@]1(C)O 2230a_100015977457_100000210326 [0,1,0,1,0,0|1,0,1]=4 16984 B13R1.193 CCCCCN[C@@H]1CCC[C@@]1(C)O 34a_100015977457_100000718602 [0,1,0,1,0,0|1,0,1]=4 16985 B13R1.218 COCC1CCN1CCCC(=O)C 269982a_100015195929_100011215641 [0,1,0,1,0,0|2,0,0]=4 16986 B13R1.218 COCC1CCN1CCCC(=O)C 34a_100015195929_100000685027 [0,1,0,1,0,0|2,0,0]=4 16987 B13R1.218 COCC1CCN1CCCC(=O)N 269982a_100015195929_100102525003 [0,1,0,1,0,0|2,0,0]=4 16988 B13R1.218 COCC1CCN1CCCC(=O)N 34a_100015195929_100102525003 [0,1,0,1,0,0|2,0,0]=4 16989 B13R1.224 C#CCN1CCCCCC1C(=O)O 269956a_100000758484_100000184674 [0,1,0,1,0,0|0,0,2]=4 16990 B13R1.224 C=CCN1CCCCCC1C(=O)O 269956a_100000758484_100000210623 [0,1,0,1,0,0|0,0,2]=4 16991 B13R1.224 CCCN1CCCCCC1C(=O)O 269956a_100000758484_100000210207 [0,1,0,1,0,0|0,0,0]=2 16992 B13R1.224 COCN1CCCCCC1C(=O)O 269956a_100000758484_100000766300 [0,1,0,1,0,0|1,0,0]=3 16993 B13R1.224 CSCN1CCCCCC1C(=O)O 269956a_100000758484_100011218213 [0,1,0,1,0,0|1,0,0]=3 16994 B13R1.224 N#CCN1CCCCCC1C(=O)O 269956a_100000758484_100011215382 [0,1,0,1,0,0|1,0,1]=4 16995 B13R1.224 O=C(O)C1CCCCCN1CCF 269956a_100000758484_100011217306 [0,1,0,1,0,0|1,0,0]=3 16996 B13R1.224 O=C(O)C1CCCCCN1CCO 269956a_100000758484_100000211926 [0,1,0,1,0,0|1,0,0]=3 16997 B13R1.224 O=CCN1CCCCCC1C(=O)O 269956a_100000758484_200015260668 [0,1,0,1,0,0|1,0,1]=4 16998 B13R1.343 C=C(Br)CCOCCC1CCCC1 34a_100009813270_100000760354 [0,1,0,1,0,0|2,0,0]=4 16999 B13R1.343 C=C(C)CCNCCC1CCCC1 2230a_100000739158_100000730704 [0,1,0,1,0,0|2,0,0]=4 17000 B13R1.343 C=C(C)CCNCCC1CCCC1 34a_100000739158_100000730704 [0,1,0,1,0,0|2,0,0]=4 17001 B13R1.343 C=C(C)CCOCCC1CCCC1 34a_100000749090_100000730704 [0,1,0,1,0,0|2,0,0]=4 17002 B13R1.343 C=C(C)CCOCCC1CCCC1 34a_100000764851_100000760354 [0,1,0,1,0,0|2,0,0]=4 17003 B13R1.343 C=C(C)CCOCCC1CCCC1 7a_100000749090_100000730704 [0,1,0,1,0,0|2,0,0]=4 17004 B13R1.343 C=C(C)CCSCCC1CCCC1 62a_100000730704_100000760354 [0,1,0,1,0,0|2,0,0]=4 17005 B13R1.343 C=C(C)CCSCCC1CCCC1 62a_100000760354_100000730704 [0,1,0,1,0,0|2,0,0]=4 17006 B13R1.343 C=C(C)CNCCCC1CCCC1 2230a_100000736752_100000748629 [0,1,0,1,0,0|2,0,0]=4 17007 B13R1.343 C=C(C)CNCCCC1CCCC1 34a_100000736752_100000748629 [0,1,0,1,0,0|2,0,0]=4 17008 B13R1.343 C=C(C)COCCCC1CCCC1 34a_100000210245_100011713738 [0,1,0,1,0,0|2,0,0]=4 17009 B13R1.343 C=C(C)COCCCC1CCCC1 34a_100011215328_100000748629 [0,1,0,1,0,0|2,0,0]=4 17010 B13R1.343 C=C(C)COCCCC1CCCC1 7a_100011215328_100000748629 [0,1,0,1,0,0|2,0,0]=4 17011 B13R1.343 C=C(C)CSCCCC1CCCC1 62a_100000748629_100011713738 [0,1,0,1,0,0|2,0,0]=4 17012 B13R1.343 C=C(C)CSCCCC1CCCC1 62a_100011713738_100000211660 [0,1,0,1,0,0|2,0,0]=4 17013 B13R1.343 C=C(F)CNCCCC1CCCC1 2230a_100000736752_100009893438 [0,1,0,1,0,0|2,0,0]=4 17014 B13R1.343 C=C(F)CNCCCC1CCCC1 34a_100000736752_100009893438 [0,1,0,1,0,0|2,0,0]=4 17015 B13R1.343 C=C(F)COCCCC1CCCC1 34a_100011215328_100009893438 [0,1,0,1,0,0|2,0,0]=4 17016 B13R1.343 C=C(F)COCCCC1CCCC1 34a_200010262243_100011713738 [0,1,0,1,0,0|2,0,0]=4 17017 B13R1.343 C=C(F)COCCCC1CCCC1 7a_100011215328_100000042424 [0,1,0,1,0,0|2,0,0]=4 17018 B13R1.343 C=C(F)CSCCCC1CCCC1 62a_100000042424_100011713738 [0,1,0,1,0,0|2,0,0]=4 17019 B13R1.343 C=C(F)CSCCCC1CCCC1 62a_100011713738_100000042424 [0,1,0,1,0,0|2,0,0]=4 17020 B13R1.343 CC(=O)CCCCNC1CCCC1 34a_100000211070_100009817362 [0,1,0,1,0,0|1,0,0]=3 17021 B13R1.343 CC(=O)CCCCN[C@H]1CCOC1 34a_100015188467_100009817362 [0,1,0,1,0,0|2,0,0]=4 17022 B13R1.343 CC(=O)CCCCOC1CCCC1 34a_100000210269_100009817362 [0,1,0,1,0,0|1,0,0]=3 17023 B13R1.343 CC(=O)CCCCOC1CCCC1 7a_100000210269_100000735457 [0,1,0,1,0,0|1,0,0]=3 17024 B13R1.343 CC(=O)CCCCOC1CCCO1 34a_100000085407_100009817362 [0,1,0,1,0,0|2,0,0]=4 17025 B13R1.343 CC(=O)CCCCOC1CCSC1 7a_100011232664_100000735457 [0,1,0,1,0,0|2,0,0]=4 17026 B13R1.343 CC(=O)CCCCO[C@H]1CCOC1 34a_100000717292_100009817362 [0,1,0,1,0,0|2,0,0]=4 17027 B13R1.343 CC(=O)CCCCSC1CCCC1 62a_100000735457_100000179811 [0,1,0,1,0,0|1,0,0]=3 17028 B13R1.343 CC(=O)CCCCSC1CCCC1 62a_100011217020_100000735457 [0,1,0,1,0,0|1,0,0]=3 17029 B13R1.343 CC(=O)CCCCSC1CCOC1 62a_100000735457_100000690089 [0,1,0,1,0,0|2,0,0]=4 17030 B13R1.343 CC(=O)CCCNCC1CCCC1 34a_100000737975_100000685027 [0,1,0,1,0,0|1,0,0]=3 17031 B13R1.343 CC(=O)CCCNCC1CCOC1 34a_100000737293_100000685027 [0,1,0,1,0,0|2,0,0]=4 17032 B13R1.343 CC(=O)CCCNC[C@@H]1CCCO1 34a_100020590478_100000685027 [0,1,0,1,0,0|2,0,0]=4 17033 B13R1.343 CC(=O)CCCOCC1CCCC1 34a_100000742336_100000685027 [0,1,0,1,0,0|1,0,0]=3 17034 B13R1.343 CC(=O)CCCOCC1CCCC1 34a_100000759063_100000740388 [0,1,0,1,0,0|1,0,0]=3 17035 B13R1.343 CC(=O)CCCOCC1CCCC1 7a_100000742336_100011215641 [0,1,0,1,0,0|1,0,0]=3 17036 B13R1.343 CC(=O)CCCOCC1CCCC1 7a_100000759063_100000740388 [0,1,0,1,0,0|1,0,0]=3 17037 B13R1.343 CC(=O)CCCOCC1CCCO1 34a_100000210270_100000685027 [0,1,0,1,0,0|2,0,0]=4 17038 B13R1.343 CC(=O)CCCOCC1CCCO1 7a_100000210270_100011215641 [0,1,0,1,0,0|2,0,0]=4 17039 B13R1.343 CC(=O)CCCOCC1CCCO1 7a_100000759063_100000203698 [0,1,0,1,0,0|2,0,0]=4 17040 B13R1.343 CC(=O)CCCOCC1CCNC1 34a_100000748654_100000685027 [0,1,0,1,0,0|2,0,0]=4 17041 B13R1.343 CC(=O)CCCOCC1CCOC1 34a_100000740260_100000685027 [0,1,0,1,0,0|2,0,0]=4 17042 B13R1.343 CC(=O)CCCOCC1CCOC1 34a_100000759063_100011261433 [0,1,0,1,0,0|2,0,0]=4 17043 B13R1.343 CC(=O)CCCOCC1CCOC1 7a_100000759063_100000702531 [0,1,0,1,0,0|2,0,0]=4 17044 B13R1.343 CC(=O)CCCOC[C@H]1CCCN1 34a_100000745186_100000685027 [0,1,0,1,0,0|2,0,0]=4 17045 B13R1.343 CC(=O)CCCSCC1CCCC1 62a_100000740388_100011215641 [0,1,0,1,0,0|1,0,0]=3 17046 B13R1.343 CC(=O)CCCSCC1CCCC1 62a_100011215641_100000740388 [0,1,0,1,0,0|1,0,0]=3 17047 B13R1.343 CC(=O)CCCSCC1CCCO1 62a_100000203698_100011215641 [0,1,0,1,0,0|2,0,0]=4 17048 B13R1.343 CC(=O)CCCSCC1CCCO1 62a_100011215641_100000203698 [0,1,0,1,0,0|2,0,0]=4 17049 B13R1.343 CC(=O)CCCSCC1CCOC1 62a_100000702531_100011215641 [0,1,0,1,0,0|2,0,0]=4 17050 B13R1.343 CC(=O)CCCSCC1CCOC1 62a_100011215641_100000702531 [0,1,0,1,0,0|2,0,0]=4 17051 B13R1.343 CC(=O)CCOCCC1CCCC1 34a_100000759926_100000760354 [0,1,0,1,0,0|1,0,0]=3 17052 B13R1.343 CC(=O)CCOCCC1CCCC1 7a_100000749090_100000053229 [0,1,0,1,0,0|1,0,0]=3 17053 B13R1.343 CC(=O)CCOCCC1CCCC1 7a_100000759926_100000760354 [0,1,0,1,0,0|1,0,0]=3 17054 B13R1.343 CC(=O)CCOCCN1CCCC1 7a_100000759926_100000004467 [0,1,0,1,0,0|2,0,0]=4 17055 B13R1.343 CC(=O)CCSCCC1CCCC1 62a_100000053229_100000760354 [0,1,0,1,0,0|1,0,0]=3 17056 B13R1.343 CC(=O)CCSCCC1CCCC1 62a_100000760354_100000053229 [0,1,0,1,0,0|1,0,0]=3 17057 B13R1.343 CC(=O)CCSCCN1CCCC1 62a_100000053229_100000004467 [0,1,0,1,0,0|2,0,0]=4 17058 B13R1.343 CC(=O)CCSCCN1CCCC1 62a_100000700749_100000053229 [0,1,0,1,0,0|2,0,0]=4 17059 B13R1.343 CC(=O)COCCCC1CCCC1 34a_100000211253_100011713738 [0,1,0,1,0,0|1,0,0]=3 17060 B13R1.343 CC(=O)COCCCN1CCCC1 34a_100000211253_100016991639 [0,1,0,1,0,0|2,0,0]=4 17061 B13R1.343 CC(=O)NCCCCN1CCCC1 1626a_100000740493_100015343762 [0,1,0,1,0,0|2,0,0]=4 17062 B13R1.343 CC(=O)NCCCCN1CCCC1 240690a_100000740493_100015343762 [0,1,0,1,0,0|2,0,0]=4 17063 B13R1.343 CC(=O)NCCCNC1CCCC1 270004a_100000736810_100000210133 [0,1,0,1,0,0|2,0,0]=4 17064 B13R1.343 CC(=O)NCCCNC1CCCC1 34a_100000736810_100000179811 [0,1,0,1,0,0|2,0,0]=4 17065 B13R1.343 CC(=O)NCCCOC1CCCC1 11a_100000747560_100015343762 [0,1,0,1,0,0|2,0,0]=4 17066 B13R1.343 CC(=O)NCCCOC1CCCC1 1626a_100000747560_100015343762 [0,1,0,1,0,0|2,0,0]=4 17067 B13R1.343 CC(=O)NCCCOC1CCCC1 240690a_100000747560_100015343762 [0,1,0,1,0,0|2,0,0]=4 17068 B13R1.343 CC(=O)NCCCOC1CCCC1 34a_100000752032_100000179811 [0,1,0,1,0,0|2,0,0]=4 17069 B13R1.343 CC(=O)NCCCOC1CCCC1 527a_100000747560_100103153847 [0,1,0,1,0,0|2,0,0]=4 17070 B13R1.343 CC(=O)NCCNCC1CCCC1 2230a_100000209853_100000740388 [0,1,0,1,0,0|2,0,0]=4 17071 B13R1.343 CC(=O)NCCNCC1CCCC1 2230a_100000737975_100000189650 [0,1,0,1,0,0|2,0,0]=4 17072 B13R1.343 CC(=O)NCCNCC1CCCC1 269862a_100000209853_100000746403 [0,1,0,1,0,0|2,0,0]=4 17073 B13R1.343 CC(=O)NCCOCC1CCCC1 34a_100000158858_100000740388 [0,1,0,1,0,0|2,0,0]=4 17074 B13R1.343 CC(=O)NCCOCC1CCCC1 7a_100000742336_100000189650 [0,1,0,1,0,0|2,0,0]=4 17075 B13R1.343 CC(=O)NCCSCC1CCCC1 62a_100000189650_100000740388 [0,1,0,1,0,0|2,0,0]=4 17076 B13R1.343 CC(=O)NCCSCC1CCCC1 62a_100000740388_100000189650 [0,1,0,1,0,0|2,0,0]=4 17077 B13R1.343 CC(=O)OCCCCN1CCCC1 269982a_100000188435_100000033659 [0,1,0,1,0,0|2,0,0]=4 17078 B13R1.343 CC(=O)OCCCNC1CCCC1 34a_100000211070_100000042594 [0,1,0,1,0,0|2,0,0]=4 17079 B13R1.343 CC(=O)OCCCOC1CCCC1 34a_100000210269_100000042594 [0,1,0,1,0,0|2,0,0]=4 17080 B13R1.343 CC(=O)OCCCOC1CCCC1 7a_100000210269_100000042594 [0,1,0,1,0,0|2,0,0]=4 17081 B13R1.343 CC(=O)OCCCSC1CCCC1 62a_100000042594_100000179811 [0,1,0,1,0,0|2,0,0]=4 17082 B13R1.343 CC(=O)OCCCSC1CCCC1 62a_100011217020_100000042594 [0,1,0,1,0,0|2,0,0]=4 17083 B13R1.343 CC(=O)OCCNCC1CCCC1 34a_100000737975_100009814007 [0,1,0,1,0,0|2,0,0]=4 17084 B13R1.343 CC(=O)OCCOCC1CCCC1 34a_100000742336_100009814007 [0,1,0,1,0,0|2,0,0]=4 17085 B13R1.343 CC(=O)OCCOCC1CCCC1 7a_100000742336_100009814007 [0,1,0,1,0,0|2,0,0]=4 17086 B13R1.343 CC(=O)OCCSCC1CCCC1 62a_100000740388_100009814007 [0,1,0,1,0,0|2,0,0]=4 17087 B13R1.343 CC(=O)OCCSCC1CCCC1 62a_100009814007_100000740388 [0,1,0,1,0,0|2,0,0]=4 17088 B13R1.343 CC(=O)OCNCCC1CCCC1 34a_100000739158_100009813279 [0,1,0,1,0,0|2,0,0]=4 17089 B13R1.343 CC(=O)OCOCCC1CCCC1 34a_100000749090_100009813279 [0,1,0,1,0,0|2,0,0]=4 17090 B13R1.343 CC(=O)OCSCCC1CCCC1 62a_100000076356_100000760354 [0,1,0,1,0,0|2,0,0]=4 17091 B13R1.343 CC(=O)OCSCCC1CCCC1 62a_100000760354_100000076356 [0,1,0,1,0,0|2,0,0]=4 17092 B13R1.343 CC(=O)SCCCCN1CCCC1 2230a_100000188435_200010402107 [0,1,0,1,0,0|2,0,0]=4 17093 B13R1.343 CC(=O)SCCCCN1CCCC1 269982a_100000188435_200010402107 [0,1,0,1,0,0|2,0,0]=4 17094 B13R1.343 CC(=O)SCCCNC1CCCC1 2230a_100000211070_100000038929 [0,1,0,1,0,0|2,0,0]=4 17095 B13R1.343 CC(=O)SCCCNC1CCCC1 34a_100000211070_100000038929 [0,1,0,1,0,0|2,0,0]=4 17096 B13R1.343 CC(=O)SCCCOC1CCCC1 34a_100000210269_100000038929 [0,1,0,1,0,0|2,0,0]=4 17097 B13R1.343 CC(=O)SCCCOC1CCCC1 7a_100000210269_100000038929 [0,1,0,1,0,0|2,0,0]=4 17098 B13R1.343 CC(=O)SCCCSC1CCCC1 62a_100000038929_100000179811 [0,1,0,1,0,0|2,0,0]=4 17099 B13R1.343 CC(=O)SCCCSC1CCCC1 62a_100011217020_100000038929 [0,1,0,1,0,0|2,0,0]=4 17100 B13R1.343 CC(=O)SCCNCC1CCCC1 269862a_100020647217_100000746403 [0,1,0,1,0,0|2,0,0]=4 17101 B13R1.343 CC(O)CCCNCC1CCCC1 2230a_100000737975_200000718107 [0,1,0,1,0,0|1,0,1]=4 17102 B13R1.343 CC(O)CCCNCC1CCCC1 34a_100000737975_200000718107 [0,1,0,1,0,0|1,0,1]=4 17103 B13R1.343 CC(O)CCCOCC1CCCC1 34a_100000742336_200000718107 [0,1,0,1,0,0|1,0,1]=4 17104 B13R1.343 CC(O)CCCOCC1CCCC1 7a_100000742336_200000718107 [0,1,0,1,0,0|1,0,1]=4 17105 B13R1.343 CC(O)CCCSCC1CCCC1 62a_100000740388_200000718107 [0,1,0,1,0,0|1,0,1]=4 17106 B13R1.343 CC(O)CCCSCC1CCCC1 62a_200000718107_100000740388 [0,1,0,1,0,0|1,0,1]=4 17107 B13R1.343 CC(O)CCNCCC1CCCC1 2230a_100000739158_100012276601 [0,1,0,1,0,0|1,0,1]=4 17108 B13R1.343 CC(O)CCNCCC1CCCC1 2230a_200000755665_100000760354 [0,1,0,1,0,0|1,0,1]=4 17109 B13R1.343 CC(O)CCNCCC1CCCC1 34a_100000739158_100012276601 [0,1,0,1,0,0|1,0,1]=4 17110 B13R1.343 CC(O)CCOCCC1CCCC1 34a_100000749090_100012276601 [0,1,0,1,0,0|1,0,1]=4 17111 B13R1.343 CC(O)CCOCCC1CCCC1 7a_100000749090_100012276601 [0,1,0,1,0,0|1,0,1]=4 17112 B13R1.343 CC(O)CCSCCC1CCCC1 62a_100000760354_100012276601 [0,1,0,1,0,0|1,0,1]=4 17113 B13R1.343 CC(O)CCSCCC1CCCC1 62a_100012276601_100000760354 [0,1,0,1,0,0|1,0,1]=4 17114 B13R1.343 CC(O)CNCCCC1CCCC1 2230a_100000210904_100011713738 [0,1,0,1,0,0|1,0,1]=4 17115 B13R1.343 CC(O)CNCCCC1CCCC1 2230a_100000736752_100011218427 [0,1,0,1,0,0|1,0,1]=4 17116 B13R1.343 CC(O)CNCCCC1CCCC1 34a_100000210904_100011713738 [0,1,0,1,0,0|1,0,1]=4 17117 B13R1.343 CC(O)CNCCCC1CCCC1 34a_100000736752_100011218427 [0,1,0,1,0,0|1,0,1]=4 17118 B13R1.343 CC(O)COCCCC1CCCC1 34a_100011215328_100011218427 [0,1,0,1,0,0|1,0,1]=4 17119 B13R1.343 CC(O)COCCCC1CCCC1 7a_100011215328_100011218427 [0,1,0,1,0,0|1,0,1]=4 17120 B13R1.343 CC(O)CSCCCC1CCCC1 62a_100011218427_100011713738 [0,1,0,1,0,0|1,0,1]=4 17121 B13R1.343 CC(O)CSCCCC1CCCC1 62a_100011713738_100011218427 [0,1,0,1,0,0|1,0,1]=4 17122 B13R1.343 CS(=O)CCCNCC1CCCC1 2230a_200000753449_100000740388 [0,1,0,1,0,0|2,0,0]=4 17123 B13R1.343 C[C@@H](O)CNCCCC1CCCC1 2230a_100000736752_100009817552 [0,1,0,1,0,0|1,0,1]=4 17124 B13R1.343 C[C@@H](O)CNCCCC1CCCC1 34a_100000736752_100009817552 [0,1,0,1,0,0|1,0,1]=4 17125 B13R1.343 C[C@@H](O)COCCCC1CCCC1 34a_100011215328_100009817552 [0,1,0,1,0,0|1,0,1]=4 17126 B13R1.343 C[C@@H](O)COCCCC1CCCC1 7a_100011215328_100009817552 [0,1,0,1,0,0|1,0,1]=4 17127 B13R1.343 C[C@@H](O)CSCCCC1CCCC1 62a_100009817552_100011713738 [0,1,0,1,0,0|1,0,1]=4 17128 B13R1.343 C[C@@H](O)CSCCCC1CCCC1 62a_100011713738_100009817552 [0,1,0,1,0,0|1,0,1]=4 17129 B13R1.343 NC(=O)CCCCCN1CCCC1 2230a_100000188435_100009817443 [0,1,0,1,0,0|1,0,0]=3 17130 B13R1.343 NC(=O)CCCCCN1CCCC1 269982a_100000188435_100009817443 [0,1,0,1,0,0|1,0,0]=3 17131 B13R1.343 NC(=O)CCCCCN1CCSC1 2230a_100011215254_100009817443 [0,1,0,1,0,0|2,0,0]=4 17132 B13R1.343 NC(=O)CCCCCN1CCSC1 269982a_100011215254_100009817443 [0,1,0,1,0,0|2,0,0]=4 17133 B13R1.343 NC(=O)CCCCNC1CCCC1 270004a_100000696515_100000210133 [0,1,0,1,0,0|1,0,0]=3 17134 B13R1.343 NC(=O)CCCCNC1CCCC1 34a_100000696515_100000179811 [0,1,0,1,0,0|1,0,0]=3 17135 B13R1.343 NC(=O)CCCCNC1CCOC1 270004a_100000696515_100000752484 [0,1,0,1,0,0|2,0,0]=4 17136 B13R1.343 NC(=O)CCCCNC1CCOC1 34a_100000696515_100000690089 [0,1,0,1,0,0|2,0,0]=4 17137 B13R1.343 NC(=O)CCCCNC1CCSC1 270004a_100000696515_100000212027 [0,1,0,1,0,0|2,0,0]=4 17138 B13R1.343 NC(=O)CCCCOC1CCCC1 34a_100012022536_100000179811 [0,1,0,1,0,0|1,0,0]=3 17139 B13R1.343 NC(=O)CCCCOC1CCCC1 7a_100012022536_100000179811 [0,1,0,1,0,0|1,0,0]=3 17140 B13R1.343 NC(=O)CCCCOC1CCOC1 34a_100012022536_100000690089 [0,1,0,1,0,0|2,0,0]=4 17141 B13R1.343 NC(=O)CCCCOC1CCOC1 7a_100012022536_100000731011 [0,1,0,1,0,0|2,0,0]=4 17142 B13R1.343 NC(=O)CCCNCC1CCCC1 269862a_100000739312_100000746403 [0,1,0,1,0,0|1,0,0]=3 17143 B13R1.343 NC(=O)CCCNCC1CCCC1 34a_100000737975_100102525003 [0,1,0,1,0,0|1,0,0]=3 17144 B13R1.343 NC(=O)CCCNCC1CCCC1 34a_100000739312_100000740388 [0,1,0,1,0,0|1,0,0]=3 17145 B13R1.343 NC(=O)CCCNCC1CCOC1 34a_100000737293_100102525003 [0,1,0,1,0,0|2,0,0]=4 17146 B13R1.343 NC(=O)CCCNCC1CCOC1 34a_100000739312_100011261433 [0,1,0,1,0,0|2,0,0]=4 17147 B13R1.343 NC(=O)CCCNC[C@@H]1CCCO1 34a_100020590478_100102525003 [0,1,0,1,0,0|2,0,0]=4 17148 B13R1.343 NC(=O)CCCOCC1CCCC1 34a_100000742336_100102525003 [0,1,0,1,0,0|1,0,0]=3 17149 B13R1.343 NC(=O)CCCOCC1CCCC1 7a_100000742336_100102525003 [0,1,0,1,0,0|1,0,0]=3 17150 B13R1.343 NC(=O)CCCOCC1CCCO1 34a_100000210270_100102525003 [0,1,0,1,0,0|2,0,0]=4 17151 B13R1.343 NC(=O)CCCOCC1CCCO1 7a_100000210270_100102525003 [0,1,0,1,0,0|2,0,0]=4 17152 B13R1.343 NC(=O)CCCOCC1CCNC1 34a_100000748654_100102525003 [0,1,0,1,0,0|2,0,0]=4 17153 B13R1.343 NC(=O)CCCOCC1CCOC1 34a_100000740260_100102525003 [0,1,0,1,0,0|2,0,0]=4 17154 B13R1.343 NC(=O)CCCOC[C@H]1CCCN1 34a_100000745186_100102525003 [0,1,0,1,0,0|2,0,0]=4 17155 B13R1.343 NC(=O)CCCSCC1CCCC1 62a_100000740388_100102525003 [0,1,0,1,0,0|1,0,0]=3 17156 B13R1.343 NC(=O)CCCSCC1CCCC1 62a_100102525003_100000740388 [0,1,0,1,0,0|1,0,0]=3 17157 B13R1.343 NC(=O)CCCSCC1CCCO1 62a_100000203698_100102525003 [0,1,0,1,0,0|2,0,0]=4 17158 B13R1.343 NC(=O)CCCSCC1CCCO1 62a_100102525003_100000203698 [0,1,0,1,0,0|2,0,0]=4 17159 B13R1.343 NC(=O)CCCSCC1CCOC1 62a_100000702531_100102525003 [0,1,0,1,0,0|2,0,0]=4 17160 B13R1.343 NC(=O)CCCSCC1CCOC1 62a_100102525003_100000702531 [0,1,0,1,0,0|2,0,0]=4 17161 B13R1.343 NC(=O)CCNCCC1CCCC1 2230a_100000739158_100000744528 [0,1,0,1,0,0|1,0,0]=3 17162 B13R1.343 NC(=O)CCNCCC1CCCC1 34a_100000739158_100000731001 [0,1,0,1,0,0|1,0,0]=3 17163 B13R1.343 NC(=O)CCOCCC1CCCC1 34a_100000749090_100000731001 [0,1,0,1,0,0|1,0,0]=3 17164 B13R1.343 NC(=O)CCOCCC1CCCC1 34a_100000757172_100000760354 [0,1,0,1,0,0|1,0,0]=3 17165 B13R1.343 NC(=O)CCOCCC1CCCC1 7a_100000749090_100000744528 [0,1,0,1,0,0|1,0,0]=3 17166 B13R1.343 NC(=O)CCOCCC1CCCC1 7a_100000757172_100000760354 [0,1,0,1,0,0|1,0,0]=3 17167 B13R1.343 NC(=O)CCOCCC1CCNC1 34a_100016987287_100000731001 [0,1,0,1,0,0|2,0,0]=4 17168 B13R1.343 NC(=O)CCOCCC1CCOC1 34a_100011879284_100000731001 [0,1,0,1,0,0|2,0,0]=4 17169 B13R1.343 NC(=O)CCOCCN1CCCC1 7a_100000757172_100000004467 [0,1,0,1,0,0|2,0,0]=4 17170 B13R1.343 NC(=O)CCSCCC1CCCC1 62a_100000744528_100000760354 [0,1,0,1,0,0|1,0,0]=3 17171 B13R1.343 NC(=O)CCSCCC1CCCC1 62a_100000760354_100000744528 [0,1,0,1,0,0|1,0,0]=3 17172 B13R1.343 NC(=O)CCSCCN1CCCC1 62a_100000700749_100000744528 [0,1,0,1,0,0|2,0,0]=4 17173 B13R1.343 NC(=O)CCSCCN1CCCC1 62a_100000744528_100000004467 [0,1,0,1,0,0|2,0,0]=4 17174 B13R1.343 NC(=O)CNCCCC1CCCC1 2230a_100000711301_100011713738 [0,1,0,1,0,0|1,0,0]=3 17175 B13R1.343 NC(=O)CNCCCC1CCCC1 2230a_100000736752_100000747473 [0,1,0,1,0,0|1,0,0]=3 17176 B13R1.343 NC(=O)CNCCCC1CCCC1 34a_100000736752_100000187820 [0,1,0,1,0,0|1,0,0]=3 17177 B13R1.343 NC(=O)CNCCCN1CCCC1 2230a_100000711301_100011445909 [0,1,0,1,0,0|2,0,0]=4 17178 B13R1.343 NC(=O)CNCCOC1CCCC1 34a_100000741755_100000187820 [0,1,0,1,0,0|2,0,0]=4 17179 B13R1.343 NC(=O)COCCCC1CCCC1 34a_100011215328_100000187820 [0,1,0,1,0,0|1,0,0]=3 17180 B13R1.343 NC(=O)COCCCC1CCCC1 7a_100011215328_100000187820 [0,1,0,1,0,0|1,0,0]=3 17181 B13R1.343 NC(=O)COCCNC1CCCC1 2230a_100000211070_100000076697 [0,1,0,1,0,0|2,0,0]=4 17182 B13R1.343 NC(=O)COCCNC1CCCC1 34a_100000211070_100000076697 [0,1,0,1,0,0|2,0,0]=4 17183 B13R1.343 NC(=O)COCCNC1CCCC1 34a_200000200444_100000187820 [0,1,0,1,0,0|2,0,0]=4 17184 B13R1.343 NC(=O)COCCOC1CCCC1 34a_100000210269_100000076697 [0,1,0,1,0,0|2,0,0]=4 17185 B13R1.343 NC(=O)COCCOC1CCCC1 34a_100000738311_100000187820 [0,1,0,1,0,0|2,0,0]=4 17186 B13R1.343 NC(=O)COCCOC1CCCC1 7a_100000210269_100000076697 [0,1,0,1,0,0|2,0,0]=4 17187 B13R1.343 NC(=O)COCCOC1CCCC1 7a_100000738311_100000187820 [0,1,0,1,0,0|2,0,0]=4 17188 B13R1.343 NC(=O)COCCSC1CCCC1 62a_100000076697_100000179811 [0,1,0,1,0,0|2,0,0]=4 17189 B13R1.343 NC(=O)COCCSC1CCCC1 62a_100011217020_100000076697 [0,1,0,1,0,0|2,0,0]=4 17190 B13R1.343 NC(=O)CSCCCC1CCCC1 62a_100000747473_100011713738 [0,1,0,1,0,0|1,0,0]=3 17191 B13R1.343 NC(=O)CSCCCC1CCCC1 62a_100011713738_100000747473 [0,1,0,1,0,0|1,0,0]=3 17192 B13R1.343 NC(=O)CSCCCN1CCCC1 62a_100000747473_100011445909 [0,1,0,1,0,0|2,0,0]=4 17193 B13R1.343 NC(=O)CSCCCN1CCCC1 62a_100016991639_100000747473 [0,1,0,1,0,0|2,0,0]=4 17194 B13R1.343 NC(=O)NCCNCC1CCCC1 2230a_100000737975_200000034859 [0,1,0,1,0,0|2,0,0]=4 17195 B13R1.343 NC(=O)NCCNCC1CCCC1 269862a_100020590234_100000746403 [0,1,0,1,0,0|2,0,0]=4 17196 B13R1.343 NC(=O)NCCNCC1CCCC1 34a_100020590234_100000740388 [0,1,0,1,0,0|2,0,0]=4 17197 B13R1.343 NC(=O)NCCOCC1CCCC1 34a_100000181757_100000740388 [0,1,0,1,0,0|2,0,0]=4 17198 B13R1.343 NC(=O)NCCOCC1CCCC1 7a_100000742336_200000034859 [0,1,0,1,0,0|2,0,0]=4 17199 B13R1.343 NC(=O)NCCSCC1CCCC1 62a_100000740388_200000034859 [0,1,0,1,0,0|2,0,0]=4 17200 B13R1.343 NC(=O)NCCSCC1CCCC1 62a_200000034859_100000740388 [0,1,0,1,0,0|2,0,0]=4 17201 B13R1.343 NC(=O)OCCNCC1CCCC1 34a_100000737975_200011214921 [0,1,0,1,0,0|2,0,0]=4 17202 B13R1.343 NC(=O)OCCOCC1CCCC1 34a_100000742336_200011214921 [0,1,0,1,0,0|2,0,0]=4 17203 B13R1.343 NC(=O)OCCOCC1CCCC1 7a_100000742336_200011214921 [0,1,0,1,0,0|2,0,0]=4 17204 B13R1.343 NC(=O)OCCOCC1CCCC1 7a_100000766696_100000740388 [0,1,0,1,0,0|2,0,0]=4 17205 B13R1.343 NC(=O)OCCSCC1CCCC1 62a_100000740388_200011214921 [0,1,0,1,0,0|2,0,0]=4 17206 B13R1.343 NC(=O)OCCSCC1CCCC1 62a_200011214921_100000740388 [0,1,0,1,0,0|2,0,0]=4 17207 B13R1.343 O=C(O)CNCCCC1CCCC1 269956a_100016091260_100011713738 [0,1,0,1,0,0|0,0,0]=2 17208 B13R1.343 O=C(O)CNCCCC1OCCO1 269956a_100016091260_100000042513 [0,1,0,1,0,0|2,0,0]=4 17209 B13R1.343 O=C(O)CNCCCN1CCCC1 269956a_100016091260_100011445909 [0,1,0,1,0,0|1,0,0]=3 17210 B13R1.343 O=C(O)COCCNC1CCCC1 269956a_100000700818_100000179811 [0,1,0,1,0,0|1,0,0]=3 17211 B13R1.343 O=C(O)COCCNC1CCOC1 269956a_100000700818_100000731011 [0,1,0,1,0,0|2,0,0]=4 17212 B13R1.343 O=C(O)CONCCC1CCCC1 269956a_100000106656_100000760354 [0,1,0,1,0,0|1,0,0]=3 17213 B13R1.343 O=C(O)CONCCN1CCCC1 269956a_100000106656_100000004467 [0,1,0,1,0,0|2,0,0]=4 17214 B13R1.343 O=C([O-])CNCCCC1CCCC1 34a_100000736752_100020667443 [0,1,0,1,0,0|0,0,1]=3 17215 B13R1.343 O=C([O-])CNCCOC1CCCC1 34a_100000741755_100020667443 [0,1,0,1,0,0|1,0,1]=4 17216 B13R1.343 O=C([O-])COCCCC1CCCC1 34a_100011215328_100020667443 [0,1,0,1,0,0|0,0,1]=3 17217 B13R1.343 O=C([O-])COCCNC1CCCC1 34a_200000200444_100020667443 [0,1,0,1,0,0|1,0,1]=4 17218 B13R1.343 O=C([O-])COCCOC1CCCC1 34a_100000738311_100020667443 [0,1,0,1,0,0|1,0,1]=4 17219 B13R1.343 O=C([O-])CSCCCC1CCCC1 62a_100011713738_100020667443 [0,1,0,1,0,0|0,0,1]=3 17220 B13R1.343 O=C([O-])CSCCCC1CCCC1 62a_100020667443_100011713738 [0,1,0,1,0,0|0,0,1]=3 17221 B13R1.343 O=C([O-])CSCCCN1CCCC1 62a_100016991639_100020667443 [0,1,0,1,0,0|1,0,1]=4 17222 B13R1.343 O=C([O-])CSCCCN1CCCC1 62a_100020667443_100011445909 [0,1,0,1,0,0|1,0,1]=4 17223 B13R1.343 O=[N+]([O-])CCCCOC1CCCC1 34a_200015379883_100000179811 [0,1,0,1,0,0|1,0,1]=4 17224 B13R1.343 O=[N+]([O-])CCCCOC1CCCC1 7a_200015379883_100000179811 [0,1,0,1,0,0|1,0,1]=4 17225 B13R1.343 O=[N+]([O-])CCCOCC1CCCC1 34a_200000037920_100000740388 [0,1,0,1,0,0|1,0,1]=4 17226 B13R1.343 O=[N+]([O-])CNCCCC1CCCC1 34a_100000736752_100000761209 [0,1,0,1,0,0|1,0,1]=4 17227 B13R1.343 O=[N+]([O-])COCCCC1CCCC1 34a_100011215328_100000761209 [0,1,0,1,0,0|1,0,1]=4 17228 B13R1.343 O=[N+]([O-])CSCCCC1CCCC1 62a_100011713738_100000761209 [0,1,0,1,0,0|1,0,1]=4 17229 B13R1.343 OB(O)CCCCCN1CCCC1 2230a_100000188435_200009817188 [0,1,0,1,0,0|1,0,1]=4 17230 B13R1.343 OB(O)CCCCCN1CCCC1 269982a_100000188435_200009817188 [0,1,0,1,0,0|1,0,1]=4 17231 B13R1.343 OB(O)CCCCNC1CCCC1 2230a_100000211070_200009817182 [0,1,0,1,0,0|1,0,1]=4 17232 B13R1.343 OB(O)CCCCNC1CCCC1 34a_100000211070_200009817182 [0,1,0,1,0,0|1,0,1]=4 17233 B13R1.343 OB(O)CCCCOC1CCCC1 34a_100000210269_200009817182 [0,1,0,1,0,0|1,0,1]=4 17234 B13R1.343 OB(O)CCCCOC1CCCC1 7a_100000210269_200009817182 [0,1,0,1,0,0|1,0,1]=4 17235 B13R1.343 OB(O)CCCCSC1CCCC1 62a_100011217020_200009817182 [0,1,0,1,0,0|1,0,1]=4 17236 B13R1.343 OB(O)CCCCSC1CCCC1 62a_200009817182_100000179811 [0,1,0,1,0,0|1,0,1]=4 17237 B13R1.362 C=C1CC(C1)CNCCCCCC 2230a_100102567296_100000210314 [0,1,0,1,0,0|2,0,0]=4 17238 B13R1.362 C=C1CC(C1)CNCCCCCC 34a_100102567296_100000210314 [0,1,0,1,0,0|2,0,0]=4 17239 B13R1.362 C=C1CC(C1)COCCCCCC 34a_100011011225_100000210314 [0,1,0,1,0,0|2,0,0]=4 17240 B13R1.362 C=C1CC(C1)NCCCCCCC 2230a_100132301982_100000210681 [0,1,0,1,0,0|2,0,0]=4 17241 B13R1.362 CCCCCCCCN1CC(C1)O 269982a_100000749847_100000210759 [0,1,0,1,0,0|1,0,1]=4 17242 B13R1.362 CCCCCCCN[C@H]1C[C@@H](C1)O 2230a_100020629032_100000210681 [0,1,0,1,0,0|1,0,1]=4 17243 B13R1.362 CCCCCCCSC1CC(=O)C1 62a_100009894365_100000210316 [0,1,0,1,0,0|1,0,0]=3 17244 B13R1.362 CCCCCCNCC1CC(=O)C1 2230a_100000210581_100009874392 [0,1,0,1,0,0|1,0,0]=3 17245 B13R1.362 CCCCCCNCC1CC(C1)O 2230a_100016992100_100000210314 [0,1,0,1,0,0|1,0,1]=4 17246 B13R1.362 CCCCCCOCC1CC(=O)C1 34a_100000101936_100000210314 [0,1,0,1,0,0|1,0,0]=3 17247 B13R1.362 CCCCCCOCC1CC(=O)C1 7a_100000210259_100009874392 [0,1,0,1,0,0|1,0,0]=3 17248 B13R1.362 CCCCCCSCC1CC(=O)C1 62a_100000210314_100009874392 [0,1,0,1,0,0|1,0,0]=3 17249 B13R1.362 CCCCCCSCC1CC(=O)C1 62a_100009874392_100000210757 [0,1,0,1,0,0|1,0,0]=3 17250 B13R1.362 CCCCOCCSC1CC(=O)C1 62a_100009894365_100000743108 [0,1,0,1,0,0|2,0,0]=4 17251 B13R1.362 CCCCOCOCC1CC(=O)C1 34a_100000101936_100011995733 [0,1,0,1,0,0|2,0,0]=4 17252 B13R1.362 CCCCOCSCC1CC(=O)C1 62a_100009874392_100011995733 [0,1,0,1,0,0|2,0,0]=4 17253 B13R1.362 CCCCOCSCC1CC(=O)C1 62a_100011995733_100009874392 [0,1,0,1,0,0|2,0,0]=4 17254 B13R1.362 CCCOCCNCC1CC(=O)C1 2230a_100161115042_100009874392 [0,1,0,1,0,0|2,0,0]=4 17255 B13R1.362 CCCOCCOCC1CC(=O)C1 34a_100000101936_100011215938 [0,1,0,1,0,0|2,0,0]=4 17256 B13R1.362 CCCOCCOCC1CC(=O)C1 7a_100000752267_100009874392 [0,1,0,1,0,0|2,0,0]=4 17257 B13R1.362 CCCOCCSCC1CC(=O)C1 62a_100009874392_100011215938 [0,1,0,1,0,0|2,0,0]=4 17258 B13R1.362 CCCOCCSCC1CC(=O)C1 62a_100011215938_100009874392 [0,1,0,1,0,0|2,0,0]=4 17259 B13R1.362 CCCSCCNCC1CC(=O)C1 2230a_100020603323_100009874392 [0,1,0,1,0,0|2,0,0]=4 17260 B13R1.362 CCCSCCOCC1CC(=O)C1 7a_200000230433_100009874392 [0,1,0,1,0,0|2,0,0]=4 17261 B13R1.362 CCOCCCNCC1CC(=O)C1 2230a_100000210961_100009874392 [0,1,0,1,0,0|2,0,0]=4 17262 B13R1.362 CCOCCCOCC1CC(=O)C1 34a_100000101936_100012232248 [0,1,0,1,0,0|2,0,0]=4 17263 B13R1.362 CCOCCCOCC1CC(=O)C1 7a_100000757476_100009874392 [0,1,0,1,0,0|2,0,0]=4 17264 B13R1.362 CCOCCCSCC1CC(=O)C1 62a_100009874392_100012232248 [0,1,0,1,0,0|2,0,0]=4 17265 B13R1.362 CCOCCCSCC1CC(=O)C1 62a_100012232248_100009874392 [0,1,0,1,0,0|2,0,0]=4 17266 B13R1.362 CCSCCCOCC1CC(=O)C1 7a_100011216438_100009874392 [0,1,0,1,0,0|2,0,0]=4 17267 B13R1.362 COCCCCOCC1CC(=O)C1 34a_100000101936_100000755781 [0,1,0,1,0,0|2,0,0]=4 17268 B13R1.362 COCCCCSCC1CC(=O)C1 62a_100000730899_100009874392 [0,1,0,1,0,0|2,0,0]=4 17269 B13R1.362 COCCCCSCC1CC(=O)C1 62a_100009874392_100000730899 [0,1,0,1,0,0|2,0,0]=4 17270 B13R1.362 CSCCCCOCC1CC(=O)C1 7a_100011217163_100009874392 [0,1,0,1,0,0|2,0,0]=4 17271 B13R1.362 O=C1CC(C1)CNCCCCCO 2230a_100000762737_100009874392 [0,1,0,1,0,0|2,0,0]=4 17272 B13R1.362 O=C1CC(C1)COCCCCCBr 7a_100000746331_100009874392 [0,1,0,1,0,0|2,0,0]=4 17273 B13R1.362 O=C1CC(C1)COCCCCCCl 7a_100000746330_100009874392 [0,1,0,1,0,0|2,0,0]=4 17274 B13R1.362 O=C1CC(C1)COCCCCCF 34a_100000101936_100000729378 [0,1,0,1,0,0|2,0,0]=4 17275 B13R1.362 O=C1CC(C1)COCCCCCI 7a_200012148887_100009874392 [0,1,0,1,0,0|2,0,0]=4 17276 B13R1.362 O=C1CC(C1)COCCCCCO 34a_100000101936_100000746330 [0,1,0,1,0,0|2,0,0]=4 17277 B13R1.362 O=C1CC(C1)CSCCCCCF 62a_100000729378_100009874392 [0,1,0,1,0,0|2,0,0]=4 17278 B13R1.362 O=C1CC(C1)CSCCCCCF 62a_100009874392_100000729378 [0,1,0,1,0,0|2,0,0]=4 17279 B13R1.362 O=C1CC(C1)CSCCCCCO 62a_100000746330_100009874392 [0,1,0,1,0,0|2,0,0]=4 17280 B13R1.362 O=C1CC(C1)CSCCCCCO 62a_100009874392_100000746330 [0,1,0,1,0,0|2,0,0]=4 17281 B13R1.362 O=C1CC(C1)SCCCCCCF 62a_100009894365_100015922095 [0,1,0,1,0,0|2,0,0]=4 17282 B13R1.362 O=C1CC(C1)SCCCCCCO 62a_100009894365_100000766143 [0,1,0,1,0,0|2,0,0]=4 17283 B13R1.380 C=C(C)CN1CCCCC1CCC 2230a_100000701414_100000748629 [0,1,0,1,0,0|2,0,0]=4 17284 B13R1.380 C=C(C)CN1CCCCC1CCC 269982a_100000701414_100000748629 [0,1,0,1,0,0|2,0,0]=4 17285 B13R1.380 C=C(C)CN1CCCCC1CCC 34a_100000701414_100000748629 [0,1,0,1,0,0|2,0,0]=4 17286 B13R1.380 C=C(F)CN1CCCCC1CCC 2230a_100000701414_100009893438 [0,1,0,1,0,0|2,0,0]=4 17287 B13R1.380 C=C(F)CN1CCCCC1CCC 269982a_100000701414_100009893438 [0,1,0,1,0,0|2,0,0]=4 17288 B13R1.380 C=C(F)CN1CCCCC1CCC 34a_100000701414_100009893438 [0,1,0,1,0,0|2,0,0]=4 17289 B13R1.380 CCCC1CCCCN1CC(=O)N 2230a_100000701414_100000747473 [0,1,0,1,0,0|1,0,0]=3 17290 B13R1.380 CCCC1CCCCN1CC(=O)N 269982a_100000701414_100000187820 [0,1,0,1,0,0|1,0,0]=3 17291 B13R1.380 CCCC1CCCCN1CC(=O)N 34a_100000701414_100000187820 [0,1,0,1,0,0|1,0,0]=3 17292 B13R1.380 CCCC1CCCCN1CC(=O)[O-] 269982a_100000701414_100020667443 [0,1,0,1,0,0|0,0,1]=3 17293 B13R1.380 CCCC1CCCCN1CC(=O)[O-] 34a_100000701414_100020667443 [0,1,0,1,0,0|0,0,1]=3 17294 B13R1.380 CCCC1CCCCN1CC(C)O 2230a_100000701414_100011218427 [0,1,0,1,0,0|1,0,1]=4 17295 B13R1.380 CCCC1CCCCN1CC(C)O 269982a_100000701414_100011218427 [0,1,0,1,0,0|1,0,1]=4 17296 B13R1.380 CCCC1CCCCN1CC(C)O 34a_100000701414_100011218427 [0,1,0,1,0,0|1,0,1]=4 17297 B13R1.380 CCCC1CCCCN1C[C@@H](C)O 2230a_100000701414_100009817552 [0,1,0,1,0,0|1,0,1]=4 17298 B13R1.380 CCCC1CCCCN1C[C@@H](C)O 269982a_100000701414_100009817552 [0,1,0,1,0,0|1,0,1]=4 17299 B13R1.380 CCCC1CCCCN1C[C@@H](C)O 34a_100000701414_100009817552 [0,1,0,1,0,0|1,0,1]=4 17300 B13R1.380 CCCC1CCCCN1C[N+](=O)[O-] 269982a_100000701414_100000761209 [0,1,0,1,0,0|1,0,1]=4 17301 B13R1.380 CCCC1CCCCN1C[N+](=O)[O-] 34a_100000701414_100000761209 [0,1,0,1,0,0|1,0,1]=4 17302 B13R1.380 CCCC1COCCN1CC(=O)N 2230a_102495339903_100000747473 [0,1,0,1,0,0|2,0,0]=4 17303 B13R1.380 CCCC1COCCN1CC(=O)N 269982a_102495339903_100000187820 [0,1,0,1,0,0|2,0,0]=4 17304 B13R1.380 CCCC1COCCN1CC(=O)N 34a_102495339903_100000187820 [0,1,0,1,0,0|2,0,0]=4 17305 B13R1.380 CCCC1COCCN1CC(=O)[O-] 269982a_102495339903_100020667443 [0,1,0,1,0,0|1,0,1]=4 17306 B13R1.380 CCCC1COCCN1CC(=O)[O-] 34a_102495339903_100020667443 [0,1,0,1,0,0|1,0,1]=4 17307 B13R1.380 CCCN1CCCCC1CC(=O)N 2230a_100015184752_100000210303 [0,1,0,1,0,0|1,0,0]=3 17308 B13R1.380 CCCN1CCCCC1CC(=O)N 269982a_100015184752_100000210303 [0,1,0,1,0,0|1,0,0]=3 17309 B13R1.380 CCCN1CCCCC1CC(=O)N 34a_100015184752_100000210303 [0,1,0,1,0,0|1,0,0]=3 17310 B13R1.380 COCC1CCCCN1CC(=O)N 2230a_100015184032_100000747473 [0,1,0,1,0,0|2,0,0]=4 17311 B13R1.380 COCC1CCCCN1CC(=O)N 269982a_100015184032_100000187820 [0,1,0,1,0,0|2,0,0]=4 17312 B13R1.380 COCC1CCCCN1CC(=O)N 34a_100015184032_100000187820 [0,1,0,1,0,0|2,0,0]=4 17313 B13R1.380 COCC1CCCCN1CC(=O)[O-] 269982a_100015184032_100020667443 [0,1,0,1,0,0|1,0,1]=4 17314 B13R1.380 COCC1CCCCN1CC(=O)[O-] 34a_100015184032_100020667443 [0,1,0,1,0,0|1,0,1]=4 17315 B13R1.380 COCN1CCCCC1CC(=O)N 2230a_100015184752_100000766300 [0,1,0,1,0,0|2,0,0]=4 17316 B13R1.380 COCN1CCCCC1CC(=O)N 269982a_100015184752_100000766300 [0,1,0,1,0,0|2,0,0]=4 17317 B13R1.380 CSCN1CCCCC1CC(=O)N 2230a_100015184752_100011218213 [0,1,0,1,0,0|2,0,0]=4 17318 B13R1.380 CSCN1CCCCC1CC(=O)N 269982a_100015184752_100011218213 [0,1,0,1,0,0|2,0,0]=4 17319 B13R1.380 CSCN1CCCCC1CC(=O)N 34a_100015184752_100011218213 [0,1,0,1,0,0|2,0,0]=4 17320 B13R1.380 NC(=O)CC1CCCCN1CCF 2230a_100015184752_100011217306 [0,1,0,1,0,0|2,0,0]=4 17321 B13R1.380 NC(=O)CC1CCCCN1CCF 269982a_100015184752_100011217306 [0,1,0,1,0,0|2,0,0]=4 17322 B13R1.380 NC(=O)CC1CCCCN1CCF 34a_100015184752_100011217306 [0,1,0,1,0,0|2,0,0]=4 17323 B13R1.380 NC(=O)CC1CCCCN1CCO 2230a_100015184752_100000211926 [0,1,0,1,0,0|2,0,0]=4 17324 B13R1.380 NC(=O)CC1CCCCN1CCO 269982a_100015184752_100000211926 [0,1,0,1,0,0|2,0,0]=4 17325 B13R1.380 NC(=O)CC1CCCCN1CCO 34a_100015184752_100000211926 [0,1,0,1,0,0|2,0,0]=4 17326 B13R1.380 NC(=O)CN1CCCCC1CCO 2230a_100000211664_100000747473 [0,1,0,1,0,0|2,0,0]=4 17327 B13R1.380 NC(=O)CN1CCCCC1CCO 269982a_100000211664_100000187820 [0,1,0,1,0,0|2,0,0]=4 17328 B13R1.380 NC(=O)CN1CCCCC1CCO 34a_100000211664_100000187820 [0,1,0,1,0,0|2,0,0]=4 17329 B13R1.380 O=C([O-])CN1CCCCC1CCO 269982a_100000211664_100020667443 [0,1,0,1,0,0|1,0,1]=4 17330 B13R1.380 O=C([O-])CN1CCCCC1CCO 34a_100000211664_100020667443 [0,1,0,1,0,0|1,0,1]=4 17331 B13R1.392 CCCC1CCCC1NCC(C)O 269862a_100000210904_100000723119 [0,1,0,1,0,0|1,0,1]=4 17332 B13R1.392 CCCC1CCCC1NCC(C)O 270004a_100000210904_100000723119 [0,1,0,1,0,0|1,0,1]=4 17333 B13R1.392 COC[C@@H]1CCCN1CCC(=O)C 269982a_100020646714_100000053229 [0,1,0,1,0,0|2,0,0]=4 17334 B13R1.392 COC[C@@H]1CCCN1CCC(=O)N 2230a_100020646714_100000744528 [0,1,0,1,0,0|2,0,0]=4 17335 B13R1.392 COC[C@@H]1CCCN1CCC(=O)N 269982a_100020646714_100000744528 [0,1,0,1,0,0|2,0,0]=4 17336 B13R1.392 COC[C@@H]1CCCN1CCC(=O)N 34a_100020646714_100000731001 [0,1,0,1,0,0|2,0,0]=4 17337 B13R1.572 C#CCCN1CCCC[C@@H]1C(=O)O 269956a_100000763471_100000688953 [0,1,0,1,0,0|0,0,2]=4 17338 B13R1.572 C#CCN[C@@H]1CCCC[C@H]1C(=O)O 269956a_100009816435_100000184674 [0,1,0,1,0,0|0,0,2]=4 17339 B13R1.572 C/C=C/CN1CCCC[C@@H]1C(=O)O 269956a_100000763471_100102629194 [0,1,0,1,0,0|0,0,2]=4 17340 B13R1.572 C=CCCN1CCCC[C@@H]1C(=O)O 269956a_100000763471_100000754431 [0,1,0,1,0,0|0,0,2]=4 17341 B13R1.572 C=CCN[C@@H]1CCCC[C@H]1C(=O)O 269956a_100009816435_100000210623 [0,1,0,1,0,0|0,0,2]=4 17342 B13R1.572 CC#CCN1CCCC[C@@H]1C(=O)O 269956a_100000763471_100000748600 [0,1,0,1,0,0|0,0,2]=4 17343 B13R1.572 CC(=O)N1CCCCC1CCCO 240690a_100011934581_100015343762 [0,1,0,1,0,0|2,0,0]=4 17344 B13R1.572 CCCCN1CCCCC1C(=O)N 2230a_100000181395_100000210211 [0,1,0,1,0,0|1,0,0]=3 17345 B13R1.572 CCCCN1CCCCC1C(=O)N 269982a_100000181395_100000210211 [0,1,0,1,0,0|1,0,0]=3 17346 B13R1.572 CCCCN1CCCCC1C(=O)N 34a_100000181395_100000210210 [0,1,0,1,0,0|1,0,0]=3 17347 B13R1.572 CCCCN1CCCC[C@@H]1C(=O)O 269956a_100000763471_100000210211 [0,1,0,1,0,0|0,0,0]=2 17348 B13R1.572 CCCCN1CCOC[C@@H]1C(=O)O 269956a_100016993156_100000210211 [0,1,0,1,0,0|1,0,0]=3 17349 B13R1.572 CCCCN1CCSCC1C(=O)O 269956a_100011346106_100000210211 [0,1,0,1,0,0|1,0,0]=3 17350 B13R1.572 CCCCN1CSCCC1C(=O)O 269956a_100015185162_100000210211 [0,1,0,1,0,0|1,0,0]=3 17351 B13R1.572 CCCN[C@@H]1CCCC[C@H]1C(=O)O 269956a_100009816435_100000210207 [0,1,0,1,0,0|0,0,0]=2 17352 B13R1.572 CCOCN1CCCCC1C(=O)N 269982a_100000181395_100000739092 [0,1,0,1,0,0|2,0,0]=4 17353 B13R1.572 CCOCN1CCCC[C@@H]1C(=O)O 269956a_100000763471_100000739092 [0,1,0,1,0,0|1,0,0]=3 17354 B13R1.572 CCOCN1CCOC[C@@H]1C(=O)O 269956a_100016993156_100000739092 [0,1,0,1,0,0|2,0,0]=4 17355 B13R1.572 CCOCN1CCSCC1C(=O)O 269956a_100011346106_100000739092 [0,1,0,1,0,0|2,0,0]=4 17356 B13R1.572 CCOCN1CSCCC1C(=O)O 269956a_100015185162_100000739092 [0,1,0,1,0,0|2,0,0]=4 17357 B13R1.572 COCCC1CCCCN1C(=O)C 11a_100015186528_100015343762 [0,1,0,1,0,0|2,0,0]=4 17358 B13R1.572 COCCC1CCCCN1C(=O)C 1626a_100015186528_100015343762 [0,1,0,1,0,0|2,0,0]=4 17359 B13R1.572 COCCC1CCCCN1C(=O)C 240690a_100015186528_100015343762 [0,1,0,1,0,0|2,0,0]=4 17360 B13R1.572 COCCC1CCCCN1C(=O)C 527a_100015186528_100103153847 [0,1,0,1,0,0|2,0,0]=4 17361 B13R1.572 COCCN1CCCCC1C(=O)N 2230a_100000181395_100011201679 [0,1,0,1,0,0|2,0,0]=4 17362 B13R1.572 COCCN1CCCCC1C(=O)N 269982a_100000181395_100000233755 [0,1,0,1,0,0|2,0,0]=4 17363 B13R1.572 COCCN1CCCCC1C(=O)N 34a_100000181395_100011201679 [0,1,0,1,0,0|2,0,0]=4 17364 B13R1.572 COCCN1CCCC[C@@H]1C(=O)O 269956a_100000763471_100000233755 [0,1,0,1,0,0|1,0,0]=3 17365 B13R1.572 COCCN1CCOC[C@@H]1C(=O)O 269956a_100016993156_100000233755 [0,1,0,1,0,0|2,0,0]=4 17366 B13R1.572 COCCN1CCSCC1C(=O)O 269956a_100011346106_100000233755 [0,1,0,1,0,0|2,0,0]=4 17367 B13R1.572 COCCN1CSCCC1C(=O)O 269956a_100015185162_100000233755 [0,1,0,1,0,0|2,0,0]=4 17368 B13R1.572 COCN[C@@H]1CCCC[C@H]1C(=O)O 269956a_100009816435_100000766300 [0,1,0,1,0,0|1,0,0]=3 17369 B13R1.572 CSCCN1CCCCC1C(=O)N 2230a_100000181395_100000751147 [0,1,0,1,0,0|2,0,0]=4 17370 B13R1.572 CSCCN1CCCCC1C(=O)N 269982a_100000181395_100000212216 [0,1,0,1,0,0|2,0,0]=4 17371 B13R1.572 CSCCN1CCCCC1C(=O)N 34a_100000181395_100000212216 [0,1,0,1,0,0|2,0,0]=4 17372 B13R1.572 CSCCN1CCCC[C@@H]1C(=O)O 269956a_100000763471_100000212216 [0,1,0,1,0,0|1,0,0]=3 17373 B13R1.572 CSCCN1CCOC[C@@H]1C(=O)O 269956a_100016993156_100000212216 [0,1,0,1,0,0|2,0,0]=4 17374 B13R1.572 CSCCN1CCSCC1C(=O)O 269956a_100011346106_100000212216 [0,1,0,1,0,0|2,0,0]=4 17375 B13R1.572 CSCCN1CSCCC1C(=O)O 269956a_100015185162_100000212216 [0,1,0,1,0,0|2,0,0]=4 17376 B13R1.572 CSCN[C@@H]1CCCC[C@H]1C(=O)O 269956a_100009816435_100011218213 [0,1,0,1,0,0|1,0,0]=3 17377 B13R1.572 N#CCCN1CCCC[C@@H]1C(=O)O 269956a_100000763471_100011215226 [0,1,0,1,0,0|1,0,1]=4 17378 B13R1.572 N#CCN[C@@H]1CCCC[C@H]1C(=O)O 269956a_100009816435_100011215382 [0,1,0,1,0,0|1,0,1]=4 17379 B13R1.572 NC(=O)C1CCCCN1CCCF 2230a_100000181395_100011934791 [0,1,0,1,0,0|2,0,0]=4 17380 B13R1.572 NC(=O)C1CCCCN1CCCF 269982a_100000181395_100011934791 [0,1,0,1,0,0|2,0,0]=4 17381 B13R1.572 NC(=O)C1CCCCN1CCCF 34a_100000181395_100011934791 [0,1,0,1,0,0|2,0,0]=4 17382 B13R1.572 NC(=O)C1CCCCN1CCCO 2230a_100000181395_100000230001 [0,1,0,1,0,0|2,0,0]=4 17383 B13R1.572 NC(=O)C1CCCCN1CCCO 269982a_100000181395_100011215043 [0,1,0,1,0,0|2,0,0]=4 17384 B13R1.572 NC(=O)C1CCCCN1CCCO 34a_100000181395_100000230001 [0,1,0,1,0,0|2,0,0]=4 17385 B13R1.572 O=C(O)C1CCSCN1CCCF 269956a_100015185162_100011934791 [0,1,0,1,0,0|2,0,0]=4 17386 B13R1.572 O=C(O)C1CCSCN1CCCO 269956a_100015185162_100011215043 [0,1,0,1,0,0|2,0,0]=4 17387 B13R1.572 O=C(O)C1CSCCN1CCCF 269956a_100011346106_100011934791 [0,1,0,1,0,0|2,0,0]=4 17388 B13R1.572 O=C(O)C1CSCCN1CCCO 269956a_100011346106_100011215043 [0,1,0,1,0,0|2,0,0]=4 17389 B13R1.572 O=C(O)[C@@H]1CCCC[C@H]1NCCF 269956a_100009816435_100011217306 [0,1,0,1,0,0|1,0,0]=3 17390 B13R1.572 O=C(O)[C@@H]1CCCC[C@H]1NCCO 269956a_100009816435_100000211926 [0,1,0,1,0,0|1,0,0]=3 17391 B13R1.572 O=C(O)[C@H]1CCCCN1CCCF 269956a_100000763471_100011934791 [0,1,0,1,0,0|1,0,0]=3 17392 B13R1.572 O=C(O)[C@H]1CCCCN1CCCO 269956a_100000763471_100011215043 [0,1,0,1,0,0|1,0,0]=3 17393 B13R1.572 O=C(O)[C@H]1COCCN1CCCF 269956a_100016993156_100011934791 [0,1,0,1,0,0|2,0,0]=4 17394 B13R1.572 O=C(O)[C@H]1COCCN1CCCO 269956a_100016993156_100011215043 [0,1,0,1,0,0|2,0,0]=4 17395 B13R1.572 O=CCN[C@@H]1CCCC[C@H]1C(=O)O 269956a_100009816435_200015260668 [0,1,0,1,0,0|1,0,1]=4 17396 B13R1.614 CN[C@@H]1CCCCCC[C@@H]1C(=O)O 269956a_200049070474_200000210301 [0,1,0,1,0,0|0,0,0]=2 17397 B13R1.614 [13CH3]N[C@@H]1CCCCCC[C@@H]1C(=O)O 269956a_200049070474_200025704644 [0,1,0,1,0,0|0,0,0]=2 17398 B13R1.659 CCCCCCCCNCC1CO1 2230a_100000229939_100011216344 [0,1,0,1,0,0|1,0,1]=4 17399 B13R1.659 CCCCCCCCNCC1CO1 34a_100000229939_102125554688 [0,1,0,1,0,0|1,0,1]=4 17400 B13R1.659 CCCCCCCCOCC1CO1 34a_100000210232_102125554688 [0,1,0,1,0,0|1,0,1]=4 17401 B13R1.659 CCCCCCCCOCC1CO1 7a_100000210232_102125554688 [0,1,0,1,0,0|1,0,1]=4 17402 B13R1.659 CCCCCCCCOC[C@@H]1CO1 34a_100000757423_100000210759 [0,1,0,1,0,0|1,0,1]=4 17403 B13R1.659 CCCCCCCCOC[C@@H]1CO1 7a_100000210232_100000745022 [0,1,0,1,0,0|1,0,1]=4 17404 B13R1.659 CCCCCCCCSCC1CO1 62a_100000210759_102125554688 [0,1,0,1,0,0|1,0,1]=4 17405 B13R1.659 CCCCCCCCSCC1CO1 62a_102125554688_100000210317 [0,1,0,1,0,0|1,0,1]=4 17406 B13R1.659 CCCCCCCCSC[C@@H]1CO1 62a_100000210759_100000745022 [0,1,0,1,0,0|1,0,1]=4 17407 B13R1.659 CCCCCCCCSC[C@@H]1CO1 62a_100000745022_100000210317 [0,1,0,1,0,0|1,0,1]=4 17408 B13R1.659 CCCCCCCNCCC1CO1 2230a_100000229938_100000732470 [0,1,0,1,0,0|1,0,1]=4 17409 B13R1.659 CCCCCCCOCCC1CO1 34a_100000210272_100000732470 [0,1,0,1,0,0|1,0,1]=4 17410 B13R1.659 CCCCCCCOCCC1CO1 7a_100000210272_100000732470 [0,1,0,1,0,0|1,0,1]=4 17411 B13R1.659 CCCCCCCOCC[C@@H]1CO1 34a_100009820653_100000210614 [0,1,0,1,0,0|1,0,1]=4 17412 B13R1.659 CCCCCCCSCCC1CO1 62a_100000210614_100000732470 [0,1,0,1,0,0|1,0,1]=4 17413 B13R1.659 CCCCCCCSCCC1CO1 62a_100000732470_100000210316 [0,1,0,1,0,0|1,0,1]=4 17414 B13R1.659 CCCCCCNCCCC1CO1 2230a_100000210581_100000733510 [0,1,0,1,0,0|1,0,1]=4 17415 B13R1.659 CCCCCCOCCCC1CO1 34a_100000210259_100000733510 [0,1,0,1,0,0|1,0,1]=4 17416 B13R1.659 CCCCCCOCCCC1CO1 7a_100000210259_100000733510 [0,1,0,1,0,0|1,0,1]=4 17417 B13R1.659 CCCCCCSCCCC1CO1 62a_100000210314_100000733510 [0,1,0,1,0,0|1,0,1]=4 17418 B13R1.659 CCCCCCSCCCC1CO1 62a_100000733510_100000210757 [0,1,0,1,0,0|1,0,1]=4 17419 B13R1.670 C#CCCCN1CCC[C@H]1C(=O)O 269956a_100000743916_100011215417 [0,1,0,1,0,0|0,0,2]=4 17420 B13R1.670 C=CCCCN1CCC[C@H]1C(=O)O 269956a_100000743916_100011713584 [0,1,0,1,0,0|0,0,2]=4 17421 B13R1.670 CC/C=C\CN1CCC[C@H]1C(=O)O 269956a_100000743916_100103147603 [0,1,0,1,0,0|0,0,2]=4 17422 B13R1.670 CCC#CCN1CCC[C@H]1C(=O)O 269956a_100000743916_100009813939 [0,1,0,1,0,0|0,0,2]=4 17423 B13R1.670 CCCCCN1CC=C[C@H]1C(=O)O 269956a_100000057196_100000210326 [0,1,0,1,0,0|0,0,2]=4 17424 B13R1.670 CCCCCN1CCC[C@H]1C(=O)N 2230a_100000003125_100000210326 [0,1,0,1,0,0|1,0,0]=3 17425 B13R1.670 CCCCCN1CCC[C@H]1C(=O)O 269956a_100000743916_100000210326 [0,1,0,1,0,0|0,0,0]=2 17426 B13R1.670 CCCCCN1CCSC1C(=O)O 269956a_100000035718_100000210326 [0,1,0,1,0,0|1,0,0]=3 17427 B13R1.670 CCCCCN1CSC[C@H]1C(=O)O 269956a_100000743924_100000210326 [0,1,0,1,0,0|1,0,0]=3 17428 B13R1.670 CCCOC[C@@H]1CCCN1C(=O)N 34a_100012022907_100000210303 [0,1,0,1,0,0|2,0,0]=4 17429 B13R1.670 CCCOC[C@@H]1CCCN1C(=O)N 7a_100012022907_100000210303 [0,1,0,1,0,0|2,0,0]=4 17430 B13R1.670 CCCOC[C@H]1CCCN1C(=O)C 34a_100012242843_100000210303 [0,1,0,1,0,0|2,0,0]=4 17431 B13R1.670 CCCOC[C@H]1CCCN1C(=O)C 7a_100012242843_100000210303 [0,1,0,1,0,0|2,0,0]=4 17432 B13R1.670 CCOCCN1CCC[C@H]1C(=O)N 2230a_100000003125_100011215890 [0,1,0,1,0,0|2,0,0]=4 17433 B13R1.670 CCOCCN1CCC[C@H]1C(=O)O 269956a_100000743916_100000210147 [0,1,0,1,0,0|1,0,0]=3 17434 B13R1.670 CCOCCN1CCSC1C(=O)O 269956a_100000035718_100000210147 [0,1,0,1,0,0|2,0,0]=4 17435 B13R1.670 CCOCCN1CSC[C@H]1C(=O)O 269956a_100000743924_100000210147 [0,1,0,1,0,0|2,0,0]=4 17436 B13R1.670 CCSCCN1CCC[C@H]1C(=O)N 2230a_100000003125_100000757381 [0,1,0,1,0,0|2,0,0]=4 17437 B13R1.670 CCSCCN1CCC[C@H]1C(=O)O 269956a_100000743916_100000757381 [0,1,0,1,0,0|1,0,0]=3 17438 B13R1.670 CCSCCN1CCSC1C(=O)O 269956a_100000035718_100000757381 [0,1,0,1,0,0|2,0,0]=4 17439 B13R1.670 CCSCCN1CSC[C@H]1C(=O)O 269956a_100000743924_100000757381 [0,1,0,1,0,0|2,0,0]=4 17440 B13R1.670 COCCCN1CCC[C@H]1C(=O)N 2230a_100000003125_100000740836 [0,1,0,1,0,0|2,0,0]=4 17441 B13R1.670 COCCCN1CCC[C@H]1C(=O)O 269956a_100000743916_100000740836 [0,1,0,1,0,0|1,0,0]=3 17442 B13R1.670 COCCCN1CCSC1C(=O)O 269956a_100000035718_100000740836 [0,1,0,1,0,0|2,0,0]=4 17443 B13R1.670 COCCCN1CSC[C@H]1C(=O)O 269956a_100000743924_100000740836 [0,1,0,1,0,0|2,0,0]=4 17444 B13R1.670 N#CCCCN1CCC[C@H]1C(=O)O 269956a_100000743916_100000687738 [0,1,0,1,0,0|1,0,1]=4 17445 B13R1.670 NC(=O)[C@@H]1CCCN1CCCCF 2230a_100000003125_100000729493 [0,1,0,1,0,0|2,0,0]=4 17446 B13R1.670 NC(=O)[C@@H]1CCCN1CCCCO 2230a_100000003125_100000210776 [0,1,0,1,0,0|2,0,0]=4 17447 B13R1.670 O=C(O)C1SCCN1CCCCF 269956a_100000035718_100000729493 [0,1,0,1,0,0|2,0,0]=4 17448 B13R1.670 O=C(O)C1SCCN1CCCCO 269956a_100000035718_100000210776 [0,1,0,1,0,0|2,0,0]=4 17449 B13R1.670 O=C(O)[C@@H]1CCCN1CCCCF 269956a_100000743916_100000729493 [0,1,0,1,0,0|1,0,0]=3 17450 B13R1.670 O=C(O)[C@@H]1CCCN1CCCCO 269956a_100000743916_100000210776 [0,1,0,1,0,0|1,0,0]=3 17451 B13R1.670 O=C(O)[C@@H]1CSCN1CCCCF 269956a_100000743924_100000729493 [0,1,0,1,0,0|2,0,0]=4 17452 B13R1.670 O=C(O)[C@@H]1CSCN1CCCCO 269956a_100000743924_100000210776 [0,1,0,1,0,0|2,0,0]=4 17453 B13R1.670 O=CCCCN1CCC[C@H]1C(=O)O 269956a_100000743916_200011292268 [0,1,0,1,0,0|1,0,1]=4 17454 B13R1.1022 C=C(C)CCN1CCCCCCC1 2230a_100000211400_100000730704 [0,1,0,1,0,0|2,0,0]=4 17455 B13R1.1022 C=C(C)CCN1CCCCCCC1 269982a_100000211400_100000730704 [0,1,0,1,0,0|2,0,0]=4 17456 B13R1.1022 C=C(C)CCN1CCCCCCC1 34a_100000211400_100000730704 [0,1,0,1,0,0|2,0,0]=4 17457 B13R1.1022 C=C(C)CNC1CCCCCCC1 2230a_100000211152_100000748629 [0,1,0,1,0,0|2,0,0]=4 17458 B13R1.1022 C=C(C)CNC1CCCCCCC1 34a_100000211152_100000748629 [0,1,0,1,0,0|2,0,0]=4 17459 B13R1.1022 C=C(C)COC1CCCCCCC1 34a_100000210054_100000748629 [0,1,0,1,0,0|2,0,0]=4 17460 B13R1.1022 C=C(C)COC1CCCCCCC1 7a_100000210054_100000748629 [0,1,0,1,0,0|2,0,0]=4 17461 B13R1.1022 C=C(F)CNC1CCCCCCC1 2230a_100000211152_100009893438 [0,1,0,1,0,0|2,0,0]=4 17462 B13R1.1022 C=C(F)CNC1CCCCCCC1 34a_100000211152_100009893438 [0,1,0,1,0,0|2,0,0]=4 17463 B13R1.1022 C=C(F)COC1CCCCCCC1 34a_100000210054_100009893438 [0,1,0,1,0,0|2,0,0]=4 17464 B13R1.1022 C=C(F)COC1CCCCCCC1 7a_100000210054_100000042424 [0,1,0,1,0,0|2,0,0]=4 17465 B13R1.1022 CC(=O)CCN1CCCCCCC1 1458a_200015187237_200000210301 [0,1,0,1,0,0|1,0,0]=3 17466 B13R1.1022 CC(=O)CCN1CCCCCCC1 269982a_100000211400_100000053229 [0,1,0,1,0,0|1,0,0]=3 17467 B13R1.1022 CC(=O)OCN1CCCCCCC1 269982a_100000211400_100000076356 [0,1,0,1,0,0|2,0,0]=4 17468 B13R1.1022 CC(=O)OCN1CCCCCCC1 34a_100000211400_100009813279 [0,1,0,1,0,0|2,0,0]=4 17469 B13R1.1022 CC(O)CCN1CCCCCCC1 2230a_100000211400_100012276601 [0,1,0,1,0,0|1,0,1]=4 17470 B13R1.1022 CC(O)CCN1CCCCCCC1 269982a_100000211400_100012276601 [0,1,0,1,0,0|1,0,1]=4 17471 B13R1.1022 CC(O)CCN1CCCCCCC1 34a_100000211400_100012276601 [0,1,0,1,0,0|1,0,1]=4 17472 B13R1.1022 CC(O)CNC1CCCCCCC1 2230a_100000211152_100011218427 [0,1,0,1,0,0|1,0,1]=4 17473 B13R1.1022 CC(O)CNC1CCCCCCC1 270004a_100000210904_100000210524 [0,1,0,1,0,0|1,0,1]=4 17474 B13R1.1022 CC(O)CNC1CCCCCCC1 34a_100000211152_100011218427 [0,1,0,1,0,0|1,0,1]=4 17475 B13R1.1022 CC(O)COC1CCCCCCC1 34a_100000210054_100011218427 [0,1,0,1,0,0|1,0,1]=4 17476 B13R1.1022 CC(O)COC1CCCCCCC1 7a_100000210054_100011218427 [0,1,0,1,0,0|1,0,1]=4 17477 B13R1.1022 C[C@@H](O)CNC1CCCCCCC1 2230a_100000211152_100009817552 [0,1,0,1,0,0|1,0,1]=4 17478 B13R1.1022 C[C@@H](O)CNC1CCCCCCC1 34a_100000211152_100009817552 [0,1,0,1,0,0|1,0,1]=4 17479 B13R1.1022 C[C@@H](O)COC1CCCCCCC1 34a_100000210054_100009817552 [0,1,0,1,0,0|1,0,1]=4 17480 B13R1.1022 C[C@@H](O)COC1CCCCCCC1 7a_100000210054_100009817552 [0,1,0,1,0,0|1,0,1]=4 17481 B13R1.1022 NC(=O)CCN1CCCCCCC1 2230a_100000211400_100000744528 [0,1,0,1,0,0|1,0,0]=3 17482 B13R1.1022 NC(=O)CCN1CCCCCCC1 269982a_100000211400_100000744528 [0,1,0,1,0,0|1,0,0]=3 17483 B13R1.1022 NC(=O)CCN1CCCCCCC1 34a_100000211400_100000731001 [0,1,0,1,0,0|1,0,0]=3 17484 B13R1.1022 NC(=O)CNC1CCCCCCC1 2230a_100000211152_100000747473 [0,1,0,1,0,0|1,0,0]=3 17485 B13R1.1022 NC(=O)CNC1CCCCCCC1 34a_100000211152_100000187820 [0,1,0,1,0,0|1,0,0]=3 17486 B13R1.1022 NC(=O)COC1CCCCCCC1 34a_100000210054_100000187820 [0,1,0,1,0,0|1,0,0]=3 17487 B13R1.1022 NC(=O)COC1CCCCCCC1 7a_100000210054_100000187820 [0,1,0,1,0,0|1,0,0]=3 17488 B13R1.1022 O=C(O)CNC1CC/C=C\CCC1 269956a_100016091260_100021000466 [0,1,0,1,0,0|0,0,2]=4 17489 B13R1.1022 O=C([O-])CNC1CCCCCCC1 34a_100000211152_100020667443 [0,1,0,1,0,0|0,0,1]=3 17490 B13R1.1022 O=C([O-])COC1CCCCCCC1 34a_100000210054_100020667443 [0,1,0,1,0,0|0,0,1]=3 17491 B13R1.1022 O=[N+]([O-])CNC1CCCCCCC1 34a_100000211152_100000761209 [0,1,0,1,0,0|1,0,1]=4 17492 B13R1.1022 O=[N+]([O-])COC1CCCCCCC1 34a_100000210054_100000761209 [0,1,0,1,0,0|1,0,1]=4 17493 B13R1.1022 [13CH3]C(=O)CCN1CCCCCCC1 1458a_200015187237_200025704644 [0,1,0,1,0,0|1,0,0]=3 17494 B13R1.1052 CC(=O)CCCCNCCC1CC1 34a_100000764129_100009817362 [0,1,0,1,0,0|1,0,0]=3 17495 B13R1.1052 CC(=O)CCCCOCCC1CC1 34a_100000754188_100009817362 [0,1,0,1,0,0|1,0,0]=3 17496 B13R1.1052 CC(=O)CCCCOCCC1CC1 7a_100000754188_100000735457 [0,1,0,1,0,0|1,0,0]=3 17497 B13R1.1052 CC(=O)CCCCOCC[C@@H]1CO1 34a_100009820653_100009817362 [0,1,0,1,0,0|2,0,0]=4 17498 B13R1.1052 CC(=O)CCCCSCCC1CC1 62a_100000735457_100000764125 [0,1,0,1,0,0|1,0,0]=3 17499 B13R1.1052 CC(=O)CCCCSCCC1CC1 62a_100000764125_100000735457 [0,1,0,1,0,0|1,0,0]=3 17500 B13R1.1052 CC(=O)CCCCSCCC1CO1 62a_100000732470_100000735457 [0,1,0,1,0,0|2,0,0]=4 17501 B13R1.1052 CC(=O)CCCCSCCC1CO1 62a_100000735457_100000732470 [0,1,0,1,0,0|2,0,0]=4 17502 B13R1.1052 CC(=O)CCCOCCCC1CO1 34a_100000759063_100000733510 [0,1,0,1,0,0|2,0,0]=4 17503 B13R1.1052 CC(=O)CCCOCCCC1CO1 7a_100000759063_100000733510 [0,1,0,1,0,0|2,0,0]=4 17504 B13R1.1052 CC(=O)CCCOCCNC1CC1 34a_100000738766_100000685027 [0,1,0,1,0,0|2,0,0]=4 17505 B13R1.1052 CC(=O)CCCSCCCC1CO1 62a_100000733510_100011215641 [0,1,0,1,0,0|2,0,0]=4 17506 B13R1.1052 CC(=O)CCCSCCCC1CO1 62a_100011215641_100000733510 [0,1,0,1,0,0|2,0,0]=4 17507 B13R1.1052 CC(=O)NCCCCCNC1CC1 34a_200012022750_100000211595 [0,1,0,1,0,0|2,0,0]=4 17508 B13R1.1052 CC(=O)NCCCCNCC1CC1 2230a_200011368371_100000742324 [0,1,0,1,0,0|2,0,0]=4 17509 B13R1.1052 CC(=O)NCCCCNCC1CC1 269862a_200011368371_100000741477 [0,1,0,1,0,0|2,0,0]=4 17510 B13R1.1052 CC(=O)NCCCCNCC1CC1 34a_200011368371_100000742324 [0,1,0,1,0,0|2,0,0]=4 17511 B13R1.1052 CC(=O)NCCCNCCC1CC1 34a_100000736810_100000694398 [0,1,0,1,0,0|2,0,0]=4 17512 B13R1.1052 CC(=O)NCCCOCCC1CC1 34a_100000752032_100000694398 [0,1,0,1,0,0|2,0,0]=4 17513 B13R1.1052 CC(=O)OCCCCCNC1CC1 34a_100000212008_100000033007 [0,1,0,1,0,0|2,0,0]=4 17514 B13R1.1052 CC(=O)OCCCCCSC1CC1 62a_100000033007_100000211595 [0,1,0,1,0,0|2,0,0]=4 17515 B13R1.1052 CC(=O)OCCCCNCC1CC1 34a_100000735609_100000033659 [0,1,0,1,0,0|2,0,0]=4 17516 B13R1.1052 CC(=O)OCCCCOCC1CC1 34a_100000073216_100000742324 [0,1,0,1,0,0|2,0,0]=4 17517 B13R1.1052 CC(=O)OCCCCOCC1CC1 34a_100000211283_100000033659 [0,1,0,1,0,0|2,0,0]=4 17518 B13R1.1052 CC(=O)OCCCCOCC1CC1 7a_100000073216_100000742324 [0,1,0,1,0,0|2,0,0]=4 17519 B13R1.1052 CC(=O)OCCCCSCC1CC1 62a_100000033659_100000742324 [0,1,0,1,0,0|2,0,0]=4 17520 B13R1.1052 CC(=O)OCCCCSCC1CC1 62a_100000756562_100000033659 [0,1,0,1,0,0|2,0,0]=4 17521 B13R1.1052 CC(=O)OCCCNCCC1CC1 34a_100000764129_100000042594 [0,1,0,1,0,0|2,0,0]=4 17522 B13R1.1052 CC(=O)OCCCOCCC1CC1 34a_100000754188_100000042594 [0,1,0,1,0,0|2,0,0]=4 17523 B13R1.1052 CC(=O)OCCCOCCC1CC1 7a_100000754188_100000042594 [0,1,0,1,0,0|2,0,0]=4 17524 B13R1.1052 CC(=O)OCCCSCCC1CC1 62a_100000042594_100000764125 [0,1,0,1,0,0|2,0,0]=4 17525 B13R1.1052 CC(=O)OCCCSCCC1CC1 62a_100000764125_100000042594 [0,1,0,1,0,0|2,0,0]=4 17526 B13R1.1052 CC(=O)SCCCCNCC1CC1 2230a_100000735609_200010402107 [0,1,0,1,0,0|2,0,0]=4 17527 B13R1.1052 CC(=O)SCCCCNCC1CC1 34a_100000735609_200010402107 [0,1,0,1,0,0|2,0,0]=4 17528 B13R1.1052 CC(=O)SCCCCOCC1CC1 34a_100000211283_200010402107 [0,1,0,1,0,0|2,0,0]=4 17529 B13R1.1052 CC(=O)SCCCCSCC1CC1 62a_100000756562_200010402107 [0,1,0,1,0,0|2,0,0]=4 17530 B13R1.1052 CC(=O)SCCCCSCC1CC1 62a_200010402107_100000742324 [0,1,0,1,0,0|2,0,0]=4 17531 B13R1.1052 CC(=O)SCCCNCCC1CC1 34a_100000764129_100000038929 [0,1,0,1,0,0|2,0,0]=4 17532 B13R1.1052 CC(=O)SCCCOCCC1CC1 34a_100000754188_100000038929 [0,1,0,1,0,0|2,0,0]=4 17533 B13R1.1052 CC(=O)SCCCOCCC1CC1 7a_100000754188_100000038929 [0,1,0,1,0,0|2,0,0]=4 17534 B13R1.1052 CC(=O)SCCCSCCC1CC1 62a_100000038929_100000764125 [0,1,0,1,0,0|2,0,0]=4 17535 B13R1.1052 CC(=O)SCCCSCCC1CC1 62a_100000764125_100000038929 [0,1,0,1,0,0|2,0,0]=4 17536 B13R1.1052 NC(=O)CCCCCNCC1CC1 2230a_100000735609_100009817443 [0,1,0,1,0,0|1,0,0]=3 17537 B13R1.1052 NC(=O)CCCCCNCC1CC1 34a_100000735609_100009817443 [0,1,0,1,0,0|1,0,0]=3 17538 B13R1.1052 NC(=O)CCCCCOCC1CC1 34a_100000123541_100000742324 [0,1,0,1,0,0|1,0,0]=3 17539 B13R1.1052 NC(=O)CCCCCOCC1CC1 34a_100000211283_100009817443 [0,1,0,1,0,0|1,0,0]=3 17540 B13R1.1052 NC(=O)CCCCCOCC1CC1 7a_100000123541_100000742324 [0,1,0,1,0,0|1,0,0]=3 17541 B13R1.1052 NC(=O)CCCCCOCC1CO1 34a_100000123541_102125554688 [0,1,0,1,0,0|2,0,0]=4 17542 B13R1.1052 NC(=O)CCCCCOCC1CO1 7a_100000123541_102125554688 [0,1,0,1,0,0|2,0,0]=4 17543 B13R1.1052 NC(=O)CCCCCOCC1CS1 7a_100000123541_100000031435 [0,1,0,1,0,0|2,0,0]=4 17544 B13R1.1052 NC(=O)CCCCCOC[C@@H]1CO1 34a_100000757423_100009817443 [0,1,0,1,0,0|2,0,0]=4 17545 B13R1.1052 NC(=O)CCCCCOC[C@@H]1CO1 7a_100000123541_100000745022 [0,1,0,1,0,0|2,0,0]=4 17546 B13R1.1052 NC(=O)CCCCCSCC1CC1 62a_100000756562_100009817443 [0,1,0,1,0,0|1,0,0]=3 17547 B13R1.1052 NC(=O)CCCCCSCC1CC1 62a_100009817443_100000742324 [0,1,0,1,0,0|1,0,0]=3 17548 B13R1.1052 NC(=O)CCCCCSCC1CO1 62a_100009817443_102125554688 [0,1,0,1,0,0|2,0,0]=4 17549 B13R1.1052 NC(=O)CCCCCSCC1CO1 62a_102125554688_100009817443 [0,1,0,1,0,0|2,0,0]=4 17550 B13R1.1052 NC(=O)CCCCCSCC1CS1 62a_100000031435_100009817443 [0,1,0,1,0,0|2,0,0]=4 17551 B13R1.1052 NC(=O)CCCCCSCC1CS1 62a_100009817443_100000031435 [0,1,0,1,0,0|2,0,0]=4 17552 B13R1.1052 NC(=O)CCCCCSC[C@@H]1CO1 62a_100000745022_100009817443 [0,1,0,1,0,0|2,0,0]=4 17553 B13R1.1052 NC(=O)CCCCCSC[C@@H]1CO1 62a_100009817443_100000745022 [0,1,0,1,0,0|2,0,0]=4 17554 B13R1.1052 NC(=O)CCCCNCCC1CC1 34a_100000696515_100000694398 [0,1,0,1,0,0|1,0,0]=3 17555 B13R1.1052 NC(=O)CCCCNCCC1CO1 34a_100000696515_100000732470 [0,1,0,1,0,0|2,0,0]=4 17556 B13R1.1052 NC(=O)CCCCOCCC1CC1 34a_100012022536_100000694398 [0,1,0,1,0,0|1,0,0]=3 17557 B13R1.1052 NC(=O)CCCCOCCC1CC1 7a_100012022536_100000764125 [0,1,0,1,0,0|1,0,0]=3 17558 B13R1.1052 NC(=O)CCCCOCCC1CO1 34a_100012022536_100000732470 [0,1,0,1,0,0|2,0,0]=4 17559 B13R1.1052 NC(=O)CCCCOCCC1CO1 7a_100012022536_100000732470 [0,1,0,1,0,0|2,0,0]=4 17560 B13R1.1052 NC(=O)CCCNCCCC1CO1 34a_100000739312_100000733510 [0,1,0,1,0,0|2,0,0]=4 17561 B13R1.1052 NC(=O)CCCOCCNC1CC1 34a_100000738766_100102525003 [0,1,0,1,0,0|2,0,0]=4 17562 B13R1.1052 NC(=O)CCCSCCCC1CO1 62a_100000733510_100102525003 [0,1,0,1,0,0|2,0,0]=4 17563 B13R1.1052 NC(=O)CCCSCCCC1CO1 62a_100102525003_100000733510 [0,1,0,1,0,0|2,0,0]=4 17564 B13R1.1052 NC(=O)COCCNCCC1CC1 34a_100000764129_100000076697 [0,1,0,1,0,0|2,0,0]=4 17565 B13R1.1052 NC(=O)COCCOCCC1CC1 34a_100000754188_100000076697 [0,1,0,1,0,0|2,0,0]=4 17566 B13R1.1052 NC(=O)COCCOCCC1CC1 7a_100000754188_100000076697 [0,1,0,1,0,0|2,0,0]=4 17567 B13R1.1052 NC(=O)COCCSCCC1CC1 62a_100000076697_100000764125 [0,1,0,1,0,0|2,0,0]=4 17568 B13R1.1052 NC(=O)COCCSCCC1CC1 62a_100000764125_100000076697 [0,1,0,1,0,0|2,0,0]=4 17569 B13R1.1052 O=C(O)COCCNCCC1CC1 269956a_100000700818_100000694398 [0,1,0,1,0,0|1,0,0]=3 17570 B13R1.1052 O=C(O)COCCNCCC1CO1 269956a_100000700818_100000732470 [0,1,0,1,0,0|2,0,0]=4 17571 B13R1.1052 O=C([O-])CCCCCOCC1CC1 7a_100102619762_100000742324 [0,1,0,1,0,0|0,0,1]=3 17572 B13R1.1052 O=C([O-])CCCCCOCC1CO1 7a_100102619762_102125554688 [0,1,0,1,0,0|1,0,1]=4 17573 B13R1.1052 O=C([O-])CCCCCOCC1CS1 7a_100102619762_100000031435 [0,1,0,1,0,0|1,0,1]=4 17574 B13R1.1052 O=C([O-])CCCCCOC[C@@H]1CO1 7a_100102619762_100000745022 [0,1,0,1,0,0|1,0,1]=4 17575 B13R1.1052 O=[N+]([O-])CCCCOCCC1CC1 34a_200015379883_100000694398 [0,1,0,1,0,0|1,0,1]=4 17576 B13R1.1052 O=[N+]([O-])CCCCOCCC1CC1 7a_200015379883_100000764125 [0,1,0,1,0,0|1,0,1]=4 17577 B13R1.1052 OB(O)CCCCCCNC1CC1 34a_100000212008_100009817187 [0,1,0,1,0,0|1,0,1]=4 17578 B13R1.1052 OB(O)CCCCCCSC1CC1 62a_100009817187_100000211595 [0,1,0,1,0,0|1,0,1]=4 17579 B13R1.1052 OB(O)CCCCCNCC1CC1 2230a_100000735609_200009817188 [0,1,0,1,0,0|1,0,1]=4 17580 B13R1.1052 OB(O)CCCCCNCC1CC1 34a_100000735609_200009817188 [0,1,0,1,0,0|1,0,1]=4 17581 B13R1.1052 OB(O)CCCCCOCC1CC1 34a_100000211283_200009817188 [0,1,0,1,0,0|1,0,1]=4 17582 B13R1.1052 OB(O)CCCCCSCC1CC1 62a_100000756562_200009817188 [0,1,0,1,0,0|1,0,1]=4 17583 B13R1.1052 OB(O)CCCCCSCC1CC1 62a_200009817188_100000742324 [0,1,0,1,0,0|1,0,1]=4 17584 B13R1.1052 OB(O)CCCCNCCC1CC1 34a_100000764129_200009817182 [0,1,0,1,0,0|1,0,1]=4 17585 B13R1.1052 OB(O)CCCCOCCC1CC1 34a_100000754188_200009817182 [0,1,0,1,0,0|1,0,1]=4 17586 B13R1.1052 OB(O)CCCCOCCC1CC1 7a_100000754188_200009817182 [0,1,0,1,0,0|1,0,1]=4 17587 B13R1.1052 OB(O)CCCCSCCC1CC1 62a_100000764125_200009817182 [0,1,0,1,0,0|1,0,1]=4 17588 B13R1.1052 OB(O)CCCCSCCC1CC1 62a_200009817182_100000764125 [0,1,0,1,0,0|1,0,1]=4 17589 B13R1.1148 CCCCCN1CCCCC(C1)O 2230a_100025706797_100000210326 [0,1,0,1,0,0|1,0,1]=4 17590 B13R1.1148 CCCCCN1CCCCC(C1)O 269982a_100025706797_100000210215 [0,1,0,1,0,0|1,0,1]=4 17591 B13R1.1148 CCCCCN1CCCNC(=O)C1 2230a_100015190381_100000210326 [0,1,0,1,0,0|2,0,0]=4 17592 B13R1.3435 C#CCCCCN1CCC1C(=O)O 269956a_100000021838_100010269958 [0,1,0,1,0,0|0,0,2]=4 17593 B13R1.3435 C=CCCCCN1CCC1C(=O)O 269956a_100000021838_100011215482 [0,1,0,1,0,0|0,0,2]=4 17594 B13R1.3435 CC/C=C\CCN1CCC1C(=O)O 269956a_100000021838_100015370543 [0,1,0,1,0,0|0,0,2]=4 17595 B13R1.3435 CCCCCCN1CCC1C(=O)O 269956a_100000021838_100000210757 [0,1,0,1,0,0|0,0,0]=2 17596 B13R1.3435 CCCCOCN1CCC1C(=O)O 269956a_100000021838_100011995733 [0,1,0,1,0,0|1,0,0]=3 17597 B13R1.3435 CCCOCCN1CCC1C(=O)O 269956a_100000021838_100011215938 [0,1,0,1,0,0|1,0,0]=3 17598 B13R1.3435 CCOCCCN1CCC1C(=O)O 269956a_100000021838_100012232248 [0,1,0,1,0,0|1,0,0]=3 17599 B13R1.3435 COCCCCN1CCC1C(=O)O 269956a_100000021838_100000730899 [0,1,0,1,0,0|1,0,0]=3 17600 B13R1.3435 COCCOCN1CCC1C(=O)O 269956a_100000021838_100000231047 [0,1,0,1,0,0|2,0,0]=4 17601 B13R1.3435 N#CCCCCN1CCC1C(=O)O 269956a_100000021838_100011219923 [0,1,0,1,0,0|1,0,1]=4 17602 B13R1.3435 O=C(O)C1CCN1CCCCCF 269956a_100000021838_100000729378 [0,1,0,1,0,0|1,0,0]=3 17603 B13R1.3435 O=C(O)C1CCN1CCCCCO 269956a_100000021838_100000746330 [0,1,0,1,0,0|1,0,0]=3 17604 B13R1.3435 O=C(O)C1CCN1CCOCCO 269956a_100000021838_100011215305 [0,1,0,1,0,0|2,0,0]=4 17605 B13R1.3435 O=CCCCCN1CCC1C(=O)O 269956a_100000021838_100000139335 [0,1,0,1,0,0|1,0,1]=4 17606 B13R1.9 CCCCCNC1CCC(=O)NC1 2230a_100000748762_100000210326 [0,1,0,1,0,0|2,0,0]=4 17607 B13R1.9 CCCCCNC1CCC(=O)NC1 34a_100000748762_100000718602 [0,1,0,1,0,0|2,0,0]=4 17608 B13R1.9 CCCCCOC1CCC(=O)CC1 34a_100000764474_100000718602 [0,1,0,1,0,0|2,0,0]=4 17609 B13R1.9 CCCCCOC1CCC(=O)CC1 7a_100000764474_100000210326 [0,1,0,1,0,0|2,0,0]=4 17610 B13R1.9 CCCCCOC1CCC(=O)NC1 34a_100000079199_100000718602 [0,1,0,1,0,0|2,0,0]=4 17611 B13R1.9 CCCCOCC1CCC(=O)CC1 34a_100000062911_100000210210 [0,1,0,1,0,0|2,0,0]=4 17612 B13R1.16 CCCNCC1CCCC(=O)N1C 2230a_200010383782_100000210303 [0,1,0,1,0,0|2,0,0]=4 17613 B13R1.16 CCCNCC1CCCC(=O)N1C 34a_200010383782_100000210303 [0,1,0,1,0,0|2,0,0]=4 17614 B13R1.91 CCC(=O)CN1CCCCC1CC 269982a_100000210034_100000747405 [0,1,0,1,0,0|2,0,0]=4 17615 B13R1.91 CCC1CCCCN1CC(=O)NC 2230a_100000210034_100000183359 [0,1,0,1,0,0|2,0,0]=4 17616 B13R1.91 CCC1CCCCN1CC(=O)NC 269982a_100000210034_100000183359 [0,1,0,1,0,0|2,0,0]=4 17617 B13R1.91 CCC1CCCCN1CC(=O)NC 34a_100000210034_100000183359 [0,1,0,1,0,0|2,0,0]=4 17618 B13R1.91 CCC1CCCCN1CC(=O)OC 2230a_100000210034_100000747449 [0,1,0,1,0,0|1,0,0]=3 17619 B13R1.91 CCC1CCCCN1CC(=O)OC 269982a_100000210034_100000747449 [0,1,0,1,0,0|1,0,0]=3 17620 B13R1.91 CCC1CCCCN1CC(=O)OC 34a_100000210034_100000747449 [0,1,0,1,0,0|1,0,0]=3 17621 B13R1.91 CCN1CCOCC1CC(=O)OC 2230a_100000731486_100000210202 [0,1,0,1,0,0|2,0,0]=4 17622 B13R1.91 CCN1CCOCC1CC(=O)OC 34a_100000731486_100000210202 [0,1,0,1,0,0|2,0,0]=4 17623 B13R1.91 CC[C@H]1COCCN1CC(=O)OC 2230a_100016988097_100000747449 [0,1,0,1,0,0|2,0,0]=4 17624 B13R1.91 CC[C@H]1COCCN1CC(=O)OC 269982a_100016988097_100000747449 [0,1,0,1,0,0|2,0,0]=4 17625 B13R1.91 CC[C@H]1COCCN1CC(=O)OC 34a_100016988097_100000747449 [0,1,0,1,0,0|2,0,0]=4 17626 B13R1.91 COC(=O)CN1CCCCC1CO 2230a_100000210821_100000747449 [0,1,0,1,0,0|2,0,0]=4 17627 B13R1.91 COC(=O)CN1CCCCC1CO 269982a_100000210821_100000747449 [0,1,0,1,0,0|2,0,0]=4 17628 B13R1.91 COC(=O)CN1CCCCC1CO 34a_100000210821_100000747449 [0,1,0,1,0,0|2,0,0]=4 17629 B13R1.91 COC1CCCCC1NC(=O)CO 240690a_100011208099_100000210174 [0,1,0,1,0,0|2,0,0]=4 17630 B13R1.91 COC1CCCCC1NC(=O)CO 527a_100011208099_100000210174 [0,1,0,1,0,0|2,0,0]=4 17631 B13R1.222 COCC1CCN1CCC(=O)OC 2230a_100015195929_100000204255 [0,1,0,1,0,0|2,0,0]=4 17632 B13R1.222 COCC1CCN1CCC(=O)OC 269982a_100015195929_100000204255 [0,1,0,1,0,0|2,0,0]=4 17633 B13R1.222 COCC1CCN1CCC(=O)OC 34a_100015195929_100000742370 [0,1,0,1,0,0|2,0,0]=4 17634 B13R1.382 C=CC(=O)N1CCCCC1CCC 1626a_100000701414_100000185746 [0,1,0,1,0,0|2,0,0]=4 17635 B13R1.382 C=CC(=O)N1CCCCC1CCC 240690a_100000701414_200121576911 [0,1,0,1,0,0|2,0,0]=4 17636 B13R1.382 CCCC1CCCCN1C(=O)CC 11a_100000701414_100000210414 [0,1,0,1,0,0|2,0,0]=4 17637 B13R1.382 CCCC1CCCCN1C(=O)CC 1626a_100000701414_100000210414 [0,1,0,1,0,0|2,0,0]=4 17638 B13R1.382 CCCC1CCCCN1C(=O)CC 240690a_100000701414_100000210414 [0,1,0,1,0,0|2,0,0]=4 17639 B13R1.382 CCCC1CCCCN1C(=O)CC 527a_100000701414_100000210414 [0,1,0,1,0,0|2,0,0]=4 17640 B13R1.382 CCCC1CCCCN1C(=O)CO 240690a_100000701414_100000210174 [0,1,0,1,0,0|1,0,0]=3 17641 B13R1.382 CCCC1CCCCN1C(=O)CO 527a_100000701414_100000210174 [0,1,0,1,0,0|1,0,0]=3 17642 B13R1.382 CCCC1CCCCN1C(=O)NC 2708a_100102657272_100000701414 [0,1,0,1,0,0|2,0,0]=4 17643 B13R1.382 CCCC1CCCCN1C(=O)NC 273464a_100102657272_100000701414 [0,1,0,1,0,0|2,0,0]=4 17644 B13R1.382 CCCC1COCCN1C(=O)CO 240690a_102495339903_100000210174 [0,1,0,1,0,0|2,0,0]=4 17645 B13R1.382 CCCC1COCCN1C(=O)CO 527a_102495339903_100000210174 [0,1,0,1,0,0|2,0,0]=4 17646 B13R1.382 CCCN1CCCCC1C(=O)CC 1458a_100000743559_100000210202 [0,1,0,1,0,0|2,0,0]=4 17647 B13R1.382 CCCN1CCCCC1C(=O)CF 1458a_100000743559_100015361967 [0,1,0,1,0,0|2,0,0]=4 17648 B13R1.382 CCCN1CCCCC1C(=O)NC 2230a_100011209383_100000210303 [0,1,0,1,0,0|2,0,0]=4 17649 B13R1.382 CCCN1CCCCC1C(=O)NC 240690a_100102657272_100000743559 [0,1,0,1,0,0|2,0,0]=4 17650 B13R1.382 CCCN1CCCCC1C(=O)NC 269982a_100011209383_100000210303 [0,1,0,1,0,0|2,0,0]=4 17651 B13R1.382 CCCN1CCCCC1C(=O)NC 34a_100011209383_100000210303 [0,1,0,1,0,0|2,0,0]=4 17652 B13R1.382 CCCN1CCCCC1C(=O)OC 2230a_100000734855_100000210303 [0,1,0,1,0,0|1,0,0]=3 17653 B13R1.382 CCCN1CCCCC1C(=O)OC 269982a_100000734855_100000210303 [0,1,0,1,0,0|1,0,0]=3 17654 B13R1.382 CCCN1CCCCC1C(=O)OC 34a_100000734855_100000210303 [0,1,0,1,0,0|1,0,0]=3 17655 B13R1.382 CCCN1CCOCC1C(=O)OC 2230a_100000765174_100000210303 [0,1,0,1,0,0|2,0,0]=4 17656 B13R1.382 CCCN1CCOCC1C(=O)OC 34a_100000765174_100000210303 [0,1,0,1,0,0|2,0,0]=4 17657 B13R1.382 CCOC1CCNCC1C(=O)OC 34a_200103168510_100000210202 [0,1,0,1,0,0|2,0,0]=4 17658 B13R1.382 CCO[C@H]1CCCC[C@H]1C(=O)OC 34a_100015709673_100000210202 [0,1,0,1,0,0|1,0,0]=3 17659 B13R1.382 CCO[C@H]1CCCC[C@H]1C(=O)OC 7a_100015709673_100000210202 [0,1,0,1,0,0|1,0,0]=3 17660 B13R1.382 COC(=O)C1CCCCN1CCF 2230a_100000734855_100011217306 [0,1,0,1,0,0|2,0,0]=4 17661 B13R1.382 COC(=O)C1CCCCN1CCF 269982a_100000734855_100011217306 [0,1,0,1,0,0|2,0,0]=4 17662 B13R1.382 COC(=O)C1CCCCN1CCF 34a_100000734855_100011217306 [0,1,0,1,0,0|2,0,0]=4 17663 B13R1.382 COC(=O)C1CCCCN1CCO 2230a_100000734855_100000211926 [0,1,0,1,0,0|2,0,0]=4 17664 B13R1.382 COC(=O)C1CCCCN1CCO 269982a_100000734855_100000211926 [0,1,0,1,0,0|2,0,0]=4 17665 B13R1.382 COC(=O)C1CCCCN1CCO 34a_100000734855_100000211926 [0,1,0,1,0,0|2,0,0]=4 17666 B13R1.382 COC(=O)C1CCCCN1CSC 2230a_100000734855_100011218213 [0,1,0,1,0,0|2,0,0]=4 17667 B13R1.382 COC(=O)C1CCCCN1CSC 269982a_100000734855_100011218213 [0,1,0,1,0,0|2,0,0]=4 17668 B13R1.382 COC(=O)C1CCCCN1CSC 34a_100000734855_100011218213 [0,1,0,1,0,0|2,0,0]=4 17669 B13R1.382 COC(=O)[C@@H]1CCCC[C@@H]1OCF 34a_100015709673_100015361967 [0,1,0,1,0,0|2,0,0]=4 17670 B13R1.382 COC(=O)[C@@H]1CCCC[C@@H]1OCF 7a_100015709673_100015361967 [0,1,0,1,0,0|2,0,0]=4 17671 B13R1.382 COCC1CCCCN1C(=O)CO 240690a_100015184032_100000210174 [0,1,0,1,0,0|2,0,0]=4 17672 B13R1.382 COCC1CCCCN1C(=O)CO 527a_100015184032_100000210174 [0,1,0,1,0,0|2,0,0]=4 17673 B13R1.382 COCN1CCCCC1C(=O)OC 2230a_100000734855_100000766300 [0,1,0,1,0,0|2,0,0]=4 17674 B13R1.382 COCN1CCCCC1C(=O)OC 269982a_100000734855_100000766300 [0,1,0,1,0,0|2,0,0]=4 17675 B13R1.382 O=C(CO)N1CCCCC1CCO 240690a_100000211664_100000210174 [0,1,0,1,0,0|2,0,0]=4 17676 B13R1.393 CCCN1CCC[C@@H]1CC(=O)OC 2230a_100025726698_100000210303 [0,1,0,1,0,0|1,0,0]=3 17677 B13R1.393 CCCN1CCC[C@@H]1CC(=O)OC 269982a_100025726698_100000210303 [0,1,0,1,0,0|1,0,0]=3 17678 B13R1.393 CCCN1CCC[C@@H]1CC(=O)OC 34a_100025726698_100000210303 [0,1,0,1,0,0|1,0,0]=3 17679 B13R1.393 COC(=O)C[C@H]1CCCN1CCF 2230a_100025726698_100011217306 [0,1,0,1,0,0|2,0,0]=4 17680 B13R1.393 COC(=O)C[C@H]1CCCN1CCF 269982a_100025726698_100011217306 [0,1,0,1,0,0|2,0,0]=4 17681 B13R1.393 COC(=O)C[C@H]1CCCN1CCF 34a_100025726698_100011217306 [0,1,0,1,0,0|2,0,0]=4 17682 B13R1.393 COC(=O)C[C@H]1CCCN1CCO 2230a_100025726698_100000211926 [0,1,0,1,0,0|2,0,0]=4 17683 B13R1.393 COC(=O)C[C@H]1CCCN1CCO 269982a_100025726698_100000211926 [0,1,0,1,0,0|2,0,0]=4 17684 B13R1.393 COC(=O)C[C@H]1CCCN1CCO 34a_100025726698_100000211926 [0,1,0,1,0,0|2,0,0]=4 17685 B13R1.393 COC(=O)C[C@H]1CCCN1CSC 2230a_100025726698_100011218213 [0,1,0,1,0,0|2,0,0]=4 17686 B13R1.393 COC(=O)C[C@H]1CCCN1CSC 269982a_100025726698_100011218213 [0,1,0,1,0,0|2,0,0]=4 17687 B13R1.393 COC(=O)C[C@H]1CCCN1CSC 34a_100025726698_100011218213 [0,1,0,1,0,0|2,0,0]=4 17688 B13R1.393 COCN1CCC[C@@H]1CC(=O)OC 2230a_100025726698_100000766300 [0,1,0,1,0,0|2,0,0]=4 17689 B13R1.393 COCN1CCC[C@@H]1CC(=O)OC 269982a_100025726698_100000766300 [0,1,0,1,0,0|2,0,0]=4 17690 B13R1.393 COC[C@@H]1CCCN1CC(=O)OC 2230a_100020646714_100000747449 [0,1,0,1,0,0|2,0,0]=4 17691 B13R1.393 COC[C@@H]1CCCN1CC(=O)OC 269982a_100020646714_100000747449 [0,1,0,1,0,0|2,0,0]=4 17692 B13R1.393 COC[C@@H]1CCCN1CC(=O)OC 34a_100020646714_100000747449 [0,1,0,1,0,0|2,0,0]=4 17693 B13R1.528 C#CC(=O)CCC1CCCCN1C 1458a_100000211873_100000211948 [0,1,0,1,0,0|2,0,0]=4 17694 B13R1.528 C=CC(=O)CCC1CCCCN1C 1458a_100000185746_100000211948 [0,1,0,1,0,0|2,0,0]=4 17695 B13R1.528 CC1CCCCC1OCC(=O)CF 1458a_100011223357_100015361967 [0,1,0,1,0,0|2,0,0]=4 17696 B13R1.528 CCC(=O)CCC1CCCCN1C 1458a_100000210414_100000211948 [0,1,0,1,0,0|2,0,0]=4 17697 B13R1.528 CCC(=O)CCC1CCCCN1C 1458a_100000718493_100000210202 [0,1,0,1,0,0|2,0,0]=4 17698 B13R1.528 CCC(=O)COC1CCCCC1C 1458a_100011223357_100000210202 [0,1,0,1,0,0|2,0,0]=4 17699 B13R1.528 CCC(=O)COC1CCCCC1C 7a_100000211207_100000747405 [0,1,0,1,0,0|2,0,0]=4 17700 B13R1.528 CN1CCCCC1CCC(=O)CF 1458a_100000718493_100015361967 [0,1,0,1,0,0|2,0,0]=4 17701 B13R1.528 CN1CCCCC1CCC(=O)CO 1458a_100000210174_100000211948 [0,1,0,1,0,0|1,0,0]=3 17702 B13R1.528 CN1CCCCC1CNC(=O)CO 240690a_100011228421_100000210174 [0,1,0,1,0,0|2,0,0]=4 17703 B13R1.528 CN1CCCCC1CNC(=O)CO 527a_100011228421_100000210174 [0,1,0,1,0,0|2,0,0]=4 17704 B13R1.528 CNC(=O)CCC1CCCCN1C 240690a_100102657272_100000718493 [0,1,0,1,0,0|2,0,0]=4 17705 B13R1.528 CNC(=O)CCC1CCCCN1C 527a_100102657272_100000718493 [0,1,0,1,0,0|2,0,0]=4 17706 B13R1.528 CNC(=O)CCN1CCCCC1C 2230a_100000211376_100000737683 [0,1,0,1,0,0|2,0,0]=4 17707 B13R1.528 CNC(=O)CCN1CCCCC1C 240690a_100102657272_100000727554 [0,1,0,1,0,0|2,0,0]=4 17708 B13R1.528 CNC(=O)CCN1CCCCC1C 269982a_100000211376_100000737683 [0,1,0,1,0,0|2,0,0]=4 17709 B13R1.528 CNC(=O)CCN1CCCCC1C 34a_100000211376_100012179268 [0,1,0,1,0,0|2,0,0]=4 17710 B13R1.528 CNC(=O)CNC1CCCCC1C 2230a_100000211402_100000183359 [0,1,0,1,0,0|2,0,0]=4 17711 B13R1.528 CNC(=O)CNC1CCCCC1C 269862a_100000693194_100000210921 [0,1,0,1,0,0|2,0,0]=4 17712 B13R1.528 CNC(=O)CNC1CCCCC1C 270004a_100000693194_100000210921 [0,1,0,1,0,0|2,0,0]=4 17713 B13R1.528 CNC(=O)CNC1CCCCC1C 34a_100000211402_100000183359 [0,1,0,1,0,0|2,0,0]=4 17714 B13R1.528 CNC(=O)COC1CCCCC1C 11a_106832991635_100011223357 [0,1,0,1,0,0|2,0,0]=4 17715 B13R1.528 CNC(=O)COC1CCCCC1C 1626a_100102657272_100011223357 [0,1,0,1,0,0|2,0,0]=4 17716 B13R1.528 CNC(=O)COC1CCCCC1C 240690a_100102657272_100011223357 [0,1,0,1,0,0|2,0,0]=4 17717 B13R1.528 CNC(=O)COC1CCCCC1C 34a_100000211207_100000183359 [0,1,0,1,0,0|2,0,0]=4 17718 B13R1.528 CNC(=O)COC1CCCCC1C 527a_100102657272_100011223357 [0,1,0,1,0,0|2,0,0]=4 17719 B13R1.528 CNC(=O)COC1CCCCC1C 7a_100000211207_100000183359 [0,1,0,1,0,0|2,0,0]=4 17720 B13R1.528 COC(=O)CCN1CCCCC1C 2230a_100000211376_100000204255 [0,1,0,1,0,0|1,0,0]=3 17721 B13R1.528 COC(=O)CCN1CCCCC1C 269982a_100000211376_100000204255 [0,1,0,1,0,0|1,0,0]=3 17722 B13R1.528 COC(=O)CCN1CCCCC1C 34a_100000211376_100000742370 [0,1,0,1,0,0|1,0,0]=3 17723 B13R1.528 COC(=O)CCN1CCOC[C@@H]1C 2230a_100009815349_100000204255 [0,1,0,1,0,0|2,0,0]=4 17724 B13R1.528 COC(=O)CCN1CCOC[C@@H]1C 269982a_100009815349_100000204255 [0,1,0,1,0,0|2,0,0]=4 17725 B13R1.528 COC(=O)CCN1CCOC[C@@H]1C 34a_100009815349_100000742370 [0,1,0,1,0,0|2,0,0]=4 17726 B13R1.528 COC(=O)CNC1CCCCC1C 2230a_100000211402_100000747449 [0,1,0,1,0,0|1,0,0]=3 17727 B13R1.528 COC(=O)CNC1CCCCC1C 34a_100000211402_100000747449 [0,1,0,1,0,0|1,0,0]=3 17728 B13R1.528 COC(=O)CN[C@@H]1CCCC[C@H]1F 2230a_100015195156_100000747449 [0,1,0,1,0,0|2,0,0]=4 17729 B13R1.528 COC(=O)CN[C@@H]1CCCC[C@H]1F 34a_100015195156_100000747449 [0,1,0,1,0,0|2,0,0]=4 17730 B13R1.528 COC(=O)COC1CCCCC1C 34a_100000211207_100000747449 [0,1,0,1,0,0|1,0,0]=3 17731 B13R1.528 COC(=O)COC1CCCCC1C 7a_100000211207_100000747449 [0,1,0,1,0,0|1,0,0]=3 17732 B13R1.528 COC(=O)COC1CCCCC1Cl 34a_100000038908_100000747449 [0,1,0,1,0,0|2,0,0]=4 17733 B13R1.528 COC(=O)COC1CCCCC1Cl 7a_100000038908_100000747449 [0,1,0,1,0,0|2,0,0]=4 17734 B13R1.528 COC(=O)COC1CCNCC1C 34a_100011998114_100000747449 [0,1,0,1,0,0|2,0,0]=4 17735 B13R1.528 COC(=O)COC1CNCCC1C 34a_100000696640_100000747449 [0,1,0,1,0,0|2,0,0]=4 17736 B13R1.528 COC(=O)CO[C@@H]1CCCC[C@H]1F 34a_100009816020_100000747449 [0,1,0,1,0,0|2,0,0]=4 17737 B13R1.528 COC(=O)CO[C@@H]1CCCC[C@H]1F 7a_100009816020_100000747449 [0,1,0,1,0,0|2,0,0]=4 17738 B13R1.528 COC(=O)CO[C@H]1CCCC[C@H]1N 34a_100015191688_100000747449 [0,1,0,1,0,0|2,0,0]=4 17739 B13R1.528 COC(=O)CSC1CCCCC1F 62a_100000747449_100015423560 [0,1,0,1,0,0|2,0,0]=4 17740 B13R1.528 COC(=O)CSC1CCCCC1F 62a_100015423560_100000747449 [0,1,0,1,0,0|2,0,0]=4 17741 B13R1.528 COC(=O)CSC1CCCCC1O 62a_100000038908_100000747449 [0,1,0,1,0,0|2,0,0]=4 17742 B13R1.528 COC(=O)CSC1CCCCC1O 62a_100000747449_100000038908 [0,1,0,1,0,0|2,0,0]=4 17743 B13R1.528 O=C(CO)NCC1CCCCC1O 240690a_100011216029_100000210174 [0,1,0,1,0,0|2,0,0]=4 17744 B13R1.528 O=C(CO)NCC1CCCCC1O 527a_100011216029_100000210174 [0,1,0,1,0,0|2,0,0]=4 17745 B13R1.536 C=CC(=O)NCCCC1CCCC1 1626a_100000736752_100000185746 [0,1,0,1,0,0|2,0,0]=4 17746 B13R1.536 C=CC(=O)NCCCC1CCCC1 240690a_100000736752_200121576911 [0,1,0,1,0,0|2,0,0]=4 17747 B13R1.536 CCC(=O)COCCC1CCCC1 34a_100000725409_100000760354 [0,1,0,1,0,0|2,0,0]=4 17748 B13R1.536 CCC(=O)COCCC1CCCC1 7a_100000749090_100000747405 [0,1,0,1,0,0|2,0,0]=4 17749 B13R1.536 CCC(=O)CSCCC1CCCC1 62a_100000747405_100000760354 [0,1,0,1,0,0|2,0,0]=4 17750 B13R1.536 CCC(=O)CSCCC1CCCC1 62a_100000760354_100000747405 [0,1,0,1,0,0|2,0,0]=4 17751 B13R1.536 CCC(=O)NCCCC1CCCC1 11a_100000736752_100000210414 [0,1,0,1,0,0|2,0,0]=4 17752 B13R1.536 CCC(=O)NCCCC1CCCC1 1626a_100000736752_100000210414 [0,1,0,1,0,0|2,0,0]=4 17753 B13R1.536 CCC(=O)NCCCC1CCCC1 240690a_100000736752_100000210414 [0,1,0,1,0,0|2,0,0]=4 17754 B13R1.536 CCC(=O)NCCCC1CCCC1 527a_100000736752_100000210414 [0,1,0,1,0,0|2,0,0]=4 17755 B13R1.536 CNC(=O)CCCNC1CCCC1 2230a_100000211070_100000741757 [0,1,0,1,0,0|2,0,0]=4 17756 B13R1.536 CNC(=O)CCCNC1CCCC1 2230a_100000740002_100000179811 [0,1,0,1,0,0|2,0,0]=4 17757 B13R1.536 CNC(=O)CCCNC1CCCC1 270004a_100000740002_100000210133 [0,1,0,1,0,0|2,0,0]=4 17758 B13R1.536 CNC(=O)CCCNC1CCCC1 34a_100000211070_100000741757 [0,1,0,1,0,0|2,0,0]=4 17759 B13R1.536 CNC(=O)CCCNC1CCCC1 34a_100000740002_100000179811 [0,1,0,1,0,0|2,0,0]=4 17760 B13R1.536 CNC(=O)CCCOC1CCCC1 34a_100000210269_100000741757 [0,1,0,1,0,0|2,0,0]=4 17761 B13R1.536 CNC(=O)CCCOC1CCCC1 7a_100000210269_100000741757 [0,1,0,1,0,0|2,0,0]=4 17762 B13R1.536 CNC(=O)CCCSC1CCCC1 62a_100000741757_100000179811 [0,1,0,1,0,0|2,0,0]=4 17763 B13R1.536 CNC(=O)CCCSC1CCCC1 62a_100011217020_100000741757 [0,1,0,1,0,0|2,0,0]=4 17764 B13R1.536 CNC(=O)CCNCC1CCCC1 2230a_100000737975_100000737683 [0,1,0,1,0,0|2,0,0]=4 17765 B13R1.536 CNC(=O)CCNCC1CCCC1 2230a_100000738227_100000740388 [0,1,0,1,0,0|2,0,0]=4 17766 B13R1.536 CNC(=O)CCNCC1CCCC1 269862a_100000738227_100000746403 [0,1,0,1,0,0|2,0,0]=4 17767 B13R1.536 CNC(=O)CCNCC1CCCC1 34a_100000737975_100012179268 [0,1,0,1,0,0|2,0,0]=4 17768 B13R1.536 CNC(=O)CCNCC1CCCC1 34a_100000738227_100000740388 [0,1,0,1,0,0|2,0,0]=4 17769 B13R1.536 CNC(=O)CCOCC1CCCC1 34a_100000742336_100012179268 [0,1,0,1,0,0|2,0,0]=4 17770 B13R1.536 CNC(=O)CCOCC1CCCC1 34a_100000754576_100000740388 [0,1,0,1,0,0|2,0,0]=4 17771 B13R1.536 CNC(=O)CCOCC1CCCC1 7a_100000742336_100000737683 [0,1,0,1,0,0|2,0,0]=4 17772 B13R1.536 CNC(=O)CCSCC1CCCC1 62a_100000737683_100000740388 [0,1,0,1,0,0|2,0,0]=4 17773 B13R1.536 CNC(=O)CCSCC1CCCC1 62a_100000740388_100000737683 [0,1,0,1,0,0|2,0,0]=4 17774 B13R1.536 CNC(=O)CNCCC1CCCC1 2230a_100000693194_100000760354 [0,1,0,1,0,0|2,0,0]=4 17775 B13R1.536 CNC(=O)CNCCC1CCCC1 2230a_100000739158_100000183359 [0,1,0,1,0,0|2,0,0]=4 17776 B13R1.536 CNC(=O)CNCCC1CCCC1 34a_100000739158_100000183359 [0,1,0,1,0,0|2,0,0]=4 17777 B13R1.536 CNC(=O)COCCC1CCCC1 34a_100000749090_100000183359 [0,1,0,1,0,0|2,0,0]=4 17778 B13R1.536 CNC(=O)COCCC1CCCC1 34a_100000750040_100000760354 [0,1,0,1,0,0|2,0,0]=4 17779 B13R1.536 CNC(=O)COCCC1CCCC1 7a_100000749090_100000183359 [0,1,0,1,0,0|2,0,0]=4 17780 B13R1.536 CNC(=O)CSCCC1CCCC1 62a_100000183359_100000760354 [0,1,0,1,0,0|2,0,0]=4 17781 B13R1.536 CNC(=O)CSCCC1CCCC1 62a_100000760354_100000183359 [0,1,0,1,0,0|2,0,0]=4 17782 B13R1.536 CNC(=O)NCCCC1CCCC1 2708a_100000736752_106832991635 [0,1,0,1,0,0|2,0,0]=4 17783 B13R1.536 CNC(=O)NCCCC1CCCC1 2708a_100102657272_100000736752 [0,1,0,1,0,0|2,0,0]=4 17784 B13R1.536 CNC(=O)NCCCC1CCCC1 273464a_100000736752_100102657272 [0,1,0,1,0,0|2,0,0]=4 17785 B13R1.536 CNC(=O)NCCCC1CCCC1 273464a_100102657272_100000736752 [0,1,0,1,0,0|2,0,0]=4 17786 B13R1.536 CNC(=O)NCCCC1CCCC1 512a_100000736752_100102657272 [0,1,0,1,0,0|2,0,0]=4 17787 B13R1.536 CNC(=O)NCCCC1CCCC1 512a_106832991638_100000736752 [0,1,0,1,0,0|2,0,0]=4 17788 B13R1.536 COC(=O)CCCCN1CCCC1 2230a_100000188435_100000204269 [0,1,0,1,0,0|1,0,0]=3 17789 B13R1.536 COC(=O)CCCCN1CCCC1 269982a_100000188435_100000204269 [0,1,0,1,0,0|1,0,0]=3 17790 B13R1.536 COC(=O)CCCCN1CCSC1 2230a_100011215254_100000204269 [0,1,0,1,0,0|2,0,0]=4 17791 B13R1.536 COC(=O)CCCCN1CCSC1 269982a_100011215254_100000204269 [0,1,0,1,0,0|2,0,0]=4 17792 B13R1.536 COC(=O)CCCNC1CCCC1 2230a_100000211070_100011218270 [0,1,0,1,0,0|1,0,0]=3 17793 B13R1.536 COC(=O)CCCNC1CCCC1 34a_100000211070_100000742333 [0,1,0,1,0,0|1,0,0]=3 17794 B13R1.536 COC(=O)CCCN[C@@H]1CCOC1 2230a_200015188469_100011218270 [0,1,0,1,0,0|2,0,0]=4 17795 B13R1.536 COC(=O)CCCN[C@H]1CCOC1 2230a_100015188467_100011218270 [0,1,0,1,0,0|2,0,0]=4 17796 B13R1.536 COC(=O)CCCN[C@H]1CCOC1 34a_100015188467_100000742333 [0,1,0,1,0,0|2,0,0]=4 17797 B13R1.536 COC(=O)CCCOC1CCCC1 34a_100000210269_100000742333 [0,1,0,1,0,0|1,0,0]=3 17798 B13R1.536 COC(=O)CCCOC1CCCC1 7a_100000210269_100011218270 [0,1,0,1,0,0|1,0,0]=3 17799 B13R1.536 COC(=O)CCCOC1CCCO1 34a_100000085407_100000742333 [0,1,0,1,0,0|2,0,0]=4 17800 B13R1.536 COC(=O)CCCOC1CCSC1 7a_100011232664_100011218270 [0,1,0,1,0,0|2,0,0]=4 17801 B13R1.536 COC(=O)CCCO[C@H]1CCOC1 34a_100000717292_100000742333 [0,1,0,1,0,0|2,0,0]=4 17802 B13R1.536 COC(=O)CCCSC1CCCC1 62a_100011217020_100011218270 [0,1,0,1,0,0|1,0,0]=3 17803 B13R1.536 COC(=O)CCCSC1CCCC1 62a_100011218270_100000179811 [0,1,0,1,0,0|1,0,0]=3 17804 B13R1.536 COC(=O)CCCSC1CCOC1 62a_100011218270_100000690089 [0,1,0,1,0,0|2,0,0]=4 17805 B13R1.536 COC(=O)CCNCC1CCCC1 2230a_100000737975_100000204255 [0,1,0,1,0,0|1,0,0]=3 17806 B13R1.536 COC(=O)CCNCC1CCCC1 34a_100000737975_100000742370 [0,1,0,1,0,0|1,0,0]=3 17807 B13R1.536 COC(=O)CCNCC1CCOC1 2230a_100000737293_100000204255 [0,1,0,1,0,0|2,0,0]=4 17808 B13R1.536 COC(=O)CCNCC1CCOC1 34a_100000737293_100000742370 [0,1,0,1,0,0|2,0,0]=4 17809 B13R1.536 COC(=O)CCNC[C@@H]1CCCO1 2230a_100020590478_100000204255 [0,1,0,1,0,0|2,0,0]=4 17810 B13R1.536 COC(=O)CCNC[C@@H]1CCCO1 34a_100020590478_100000742370 [0,1,0,1,0,0|2,0,0]=4 17811 B13R1.536 COC(=O)CCOCC1CCCC1 34a_100000742336_100000742370 [0,1,0,1,0,0|1,0,0]=3 17812 B13R1.536 COC(=O)CCOCC1CCCC1 7a_100000742336_100000204255 [0,1,0,1,0,0|1,0,0]=3 17813 B13R1.536 COC(=O)CCOCC1CCCO1 34a_100000210270_100000742370 [0,1,0,1,0,0|2,0,0]=4 17814 B13R1.536 COC(=O)CCOCC1CCCO1 7a_100000210270_100000204255 [0,1,0,1,0,0|2,0,0]=4 17815 B13R1.536 COC(=O)CCOCC1CCNC1 34a_100000748654_100000742370 [0,1,0,1,0,0|2,0,0]=4 17816 B13R1.536 COC(=O)CCOCC1CCOC1 34a_100000740260_100000742370 [0,1,0,1,0,0|2,0,0]=4 17817 B13R1.536 COC(=O)CCOC[C@H]1CCCN1 34a_100000745186_100000742370 [0,1,0,1,0,0|2,0,0]=4 17818 B13R1.536 COC(=O)CCSCC1CCCC1 62a_100000204255_100000740388 [0,1,0,1,0,0|1,0,0]=3 17819 B13R1.536 COC(=O)CCSCC1CCCC1 62a_100000740388_100000204255 [0,1,0,1,0,0|1,0,0]=3 17820 B13R1.536 COC(=O)CCSCC1CCCO1 62a_100000203698_100000204255 [0,1,0,1,0,0|2,0,0]=4 17821 B13R1.536 COC(=O)CCSCC1CCCO1 62a_100000204255_100000203698 [0,1,0,1,0,0|2,0,0]=4 17822 B13R1.536 COC(=O)CCSCC1CCOC1 62a_100000204255_100000702531 [0,1,0,1,0,0|2,0,0]=4 17823 B13R1.536 COC(=O)CCSCC1CCOC1 62a_100000702531_100000204255 [0,1,0,1,0,0|2,0,0]=4 17824 B13R1.536 COC(=O)CNCCC1CCCC1 2230a_100000739158_100000747449 [0,1,0,1,0,0|1,0,0]=3 17825 B13R1.536 COC(=O)CNCCC1CCCC1 34a_100000739158_100000747449 [0,1,0,1,0,0|1,0,0]=3 17826 B13R1.536 COC(=O)COCCC1CCCC1 34a_100000749090_100000747449 [0,1,0,1,0,0|1,0,0]=3 17827 B13R1.536 COC(=O)COCCC1CCCC1 7a_100000749090_100000747449 [0,1,0,1,0,0|1,0,0]=3 17828 B13R1.536 COC(=O)COCCC1CCNC1 34a_100016987287_100000747449 [0,1,0,1,0,0|2,0,0]=4 17829 B13R1.536 COC(=O)COCCC1CCOC1 34a_100011879284_100000747449 [0,1,0,1,0,0|2,0,0]=4 17830 B13R1.536 COC(=O)COCCN1CCCC1 2230a_100000188435_100000090808 [0,1,0,1,0,0|2,0,0]=4 17831 B13R1.536 COC(=O)CSCCC1CCCC1 62a_100000747449_100000760354 [0,1,0,1,0,0|1,0,0]=3 17832 B13R1.536 COC(=O)CSCCC1CCCC1 62a_100000760354_100000747449 [0,1,0,1,0,0|1,0,0]=3 17833 B13R1.536 COC(=O)CSCCN1CCCC1 62a_100000700749_100000747449 [0,1,0,1,0,0|2,0,0]=4 17834 B13R1.536 COC(=O)CSCCN1CCCC1 62a_100000747449_100000004467 [0,1,0,1,0,0|2,0,0]=4 17835 B13R1.536 COC(=O)NCCOC1CCCC1 34a_100000757965_100000179811 [0,1,0,1,0,0|2,0,0]=4 17836 B13R1.536 COC(=O)OCCOC1CCCC1 34a_100010262106_100000179811 [0,1,0,1,0,0|2,0,0]=4 17837 B13R1.536 COC(=O)OCSCC1CCCC1 62a_100000740388_100000139417 [0,1,0,1,0,0|2,0,0]=4 17838 B13R1.536 NC(=NO)CCOCC1CCCC1 34a_100000749954_100000740388 [0,1,0,1,0,0|2,0,0]=4 17839 B13R1.536 NNC(=O)CCCOC1CCCC1 34a_100000211488_100000179811 [0,1,0,1,0,0|2,0,0]=4 17840 B13R1.536 O=C(CO)CCCCC1OCCO1 1458a_100000210174_100000034956 [0,1,0,1,0,0|2,0,0]=4 17841 B13R1.536 O=C(CO)NCCCC1CCCC1 240690a_100000736752_100000210174 [0,1,0,1,0,0|1,0,0]=3 17842 B13R1.536 O=C(CO)NCCCC1CCCC1 527a_100000736752_100000210174 [0,1,0,1,0,0|1,0,0]=3 17843 B13R1.536 O=C(CO)NCCCN1CCCC1 240690a_100000204695_100000210174 [0,1,0,1,0,0|2,0,0]=4 17844 B13R1.536 O=C(CO)NCCOC1CCCC1 240690a_100000741755_100000210174 [0,1,0,1,0,0|2,0,0]=4 17845 B13R1.536 O=C(CO)NCCOC1CCCC1 527a_100000741755_100000210174 [0,1,0,1,0,0|2,0,0]=4 17846 B13R1.539 CNC(=O)CCCNCC1CCC1 2230a_100000738700_100000741757 [0,1,0,1,0,0|2,0,0]=4 17847 B13R1.539 CNC(=O)CCCNCC1CCC1 2230a_100000740002_100000763275 [0,1,0,1,0,0|2,0,0]=4 17848 B13R1.539 CNC(=O)CCCNCC1CCC1 269862a_100000740002_100000753134 [0,1,0,1,0,0|2,0,0]=4 17849 B13R1.539 CNC(=O)CCCNCC1CCC1 34a_100000738700_100000741757 [0,1,0,1,0,0|2,0,0]=4 17850 B13R1.539 CNC(=O)CCCNCC1CCC1 34a_100000740002_100000763275 [0,1,0,1,0,0|2,0,0]=4 17851 B13R1.539 CNC(=O)CCCOCC1CCC1 34a_100000760304_100000741757 [0,1,0,1,0,0|2,0,0]=4 17852 B13R1.539 CNC(=O)CCCSCC1CCC1 62a_100000741757_100000763275 [0,1,0,1,0,0|2,0,0]=4 17853 B13R1.539 CNC(=O)CCCSCC1CCC1 62a_100000763275_100000741757 [0,1,0,1,0,0|2,0,0]=4 17854 B13R1.539 COC(=O)CCCCCN1CCC1 269982a_100000754969_100009816466 [0,1,0,1,0,0|1,0,0]=3 17855 B13R1.539 COC(=O)CCCCNC1CCC1 2230a_100000749019_100000204269 [0,1,0,1,0,0|1,0,0]=3 17856 B13R1.539 COC(=O)CCCCNC1CCC1 34a_100000749019_100000204269 [0,1,0,1,0,0|1,0,0]=3 17857 B13R1.539 COC(=O)CCCCNC1COC1 2230a_100016991112_100000204269 [0,1,0,1,0,0|2,0,0]=4 17858 B13R1.539 COC(=O)CCCCOC1CCC1 34a_100000059025_100000749161 [0,1,0,1,0,0|1,0,0]=3 17859 B13R1.539 COC(=O)CCCCOC1CCC1 34a_100000748187_100000204269 [0,1,0,1,0,0|1,0,0]=3 17860 B13R1.539 COC(=O)CCCCOC1COC1 34a_100000059025_100009818527 [0,1,0,1,0,0|2,0,0]=4 17861 B13R1.539 COC(=O)CCCCOC1COC1 7a_100000059025_100009818527 [0,1,0,1,0,0|2,0,0]=4 17862 B13R1.539 COC(=O)CCCCOC1CSC1 7a_100000072292_100000204269 [0,1,0,1,0,0|2,0,0]=4 17863 B13R1.539 COC(=O)CCCCSC1CCC1 62a_100000204269_100000749161 [0,1,0,1,0,0|1,0,0]=3 17864 B13R1.539 COC(=O)CCCCSC1COC1 62a_100000204269_100009818527 [0,1,0,1,0,0|2,0,0]=4 17865 B13R1.539 COC(=O)CCCNCC1CCC1 2230a_100000738700_100011218270 [0,1,0,1,0,0|1,0,0]=3 17866 B13R1.539 COC(=O)CCCNCC1CCC1 34a_100000738700_100000742333 [0,1,0,1,0,0|1,0,0]=3 17867 B13R1.539 COC(=O)CCCNCC1COC1 2230a_100015281925_100011218270 [0,1,0,1,0,0|2,0,0]=4 17868 B13R1.539 COC(=O)CCCNCC1COC1 34a_100015281925_100000742333 [0,1,0,1,0,0|2,0,0]=4 17869 B13R1.539 COC(=O)CCCNC[C@@H]1CCO1 2230a_100020831831_100011218270 [0,1,0,1,0,0|2,0,0]=4 17870 B13R1.539 COC(=O)CCCNC[C@@H]1CCO1 34a_100020831831_100000742333 [0,1,0,1,0,0|2,0,0]=4 17871 B13R1.539 COC(=O)CCCOCC1CCC1 34a_100000760304_100000742333 [0,1,0,1,0,0|1,0,0]=3 17872 B13R1.539 COC(=O)CCCOCC1CCO1 34a_100000039022_100000742333 [0,1,0,1,0,0|2,0,0]=4 17873 B13R1.539 COC(=O)CCCOCC1CNC1 34a_100016987283_100000742333 [0,1,0,1,0,0|2,0,0]=4 17874 B13R1.539 COC(=O)CCCOCC1COC1 34a_100000060846_100000742333 [0,1,0,1,0,0|2,0,0]=4 17875 B13R1.539 COC(=O)CCCSCC1CCC1 62a_100000763275_100011218270 [0,1,0,1,0,0|1,0,0]=3 17876 B13R1.539 COC(=O)CCCSCC1CCC1 62a_100011218270_100000763275 [0,1,0,1,0,0|1,0,0]=3 17877 B13R1.539 COC(=O)CCCSCC1CCO1 62a_100000103362_100011218270 [0,1,0,1,0,0|2,0,0]=4 17878 B13R1.539 COC(=O)CCCSCC1CCO1 62a_100011218270_100000103362 [0,1,0,1,0,0|2,0,0]=4 17879 B13R1.539 COC(=O)CCCSCC1COC1 62a_100010264016_100011218270 [0,1,0,1,0,0|2,0,0]=4 17880 B13R1.539 COC(=O)CCCSCC1COC1 62a_100011218270_100010264016 [0,1,0,1,0,0|2,0,0]=4 17881 B13R1.539 COC(=O)CCOCCC1COC1 34a_100009855314_100000742370 [0,1,0,1,0,0|2,0,0]=4 17882 B13R1.539 COC(=O)COCCNC1CCC1 2230a_100000749019_100000090808 [0,1,0,1,0,0|2,0,0]=4 17883 B13R1.539 COC(=O)COCCNC1CCC1 34a_100000749019_100000090808 [0,1,0,1,0,0|2,0,0]=4 17884 B13R1.539 COC(=O)COCCOC1CCC1 34a_100000748187_100000090808 [0,1,0,1,0,0|2,0,0]=4 17885 B13R1.539 COC(=O)COCCSC1CCC1 62a_100000090808_100000749161 [0,1,0,1,0,0|2,0,0]=4 17886 B13R1.539 COC(=O)NCCOCC1CCC1 34a_100000757965_100000763275 [0,1,0,1,0,0|2,0,0]=4 17887 B13R1.539 COC(=O)OCCOCC1CCC1 34a_100010262106_100000763275 [0,1,0,1,0,0|2,0,0]=4 17888 B13R1.539 NNC(=O)CCCOCC1CCC1 34a_100000211488_100000763275 [0,1,0,1,0,0|2,0,0]=4 17889 B13R1.581 CCCCN1CCC[C@H]1C(=O)NC 2230a_100015185040_100000210211 [0,1,0,1,0,0|2,0,0]=4 17890 B13R1.581 CCCCN1CCC[C@H]1C(=O)NC 269982a_100015185040_100000210211 [0,1,0,1,0,0|2,0,0]=4 17891 B13R1.581 CCCCN1CCC[C@H]1C(=O)NC 34a_100015185040_100000210210 [0,1,0,1,0,0|2,0,0]=4 17892 B13R1.581 CCCCN1CCC[C@H]1C(=O)OC 2230a_100000752040_100000210211 [0,1,0,1,0,0|1,0,0]=3 17893 B13R1.581 CCCCN1CCC[C@H]1C(=O)OC 269982a_100000752040_100000210211 [0,1,0,1,0,0|1,0,0]=3 17894 B13R1.581 CCCCN1CCSC1C(=O)OC 2230a_100015296106_100000210211 [0,1,0,1,0,0|2,0,0]=4 17895 B13R1.581 CCCCN1CCSC1C(=O)OC 269982a_100015296106_100000210211 [0,1,0,1,0,0|2,0,0]=4 17896 B13R1.581 CCCCN1CSCC1C(=O)OC 269982a_200000724679_100000210211 [0,1,0,1,0,0|2,0,0]=4 17897 B13R1.581 CCCOC1CCCC1C(=O)OC 34a_200000081814_100000210303 [0,1,0,1,0,0|1,0,0]=3 17898 B13R1.581 CCCOC1CCCC1C(=O)OC 7a_200000081814_100000210303 [0,1,0,1,0,0|1,0,0]=3 17899 B13R1.581 CCOCN1CCC[C@H]1C(=O)OC 269982a_100000752040_100000739092 [0,1,0,1,0,0|2,0,0]=4 17900 B13R1.581 COC(=O)C1CCCC1OCCF 34a_200000081814_100011217306 [0,1,0,1,0,0|2,0,0]=4 17901 B13R1.581 COC(=O)C1CCCC1OCCF 7a_200000081814_100011217306 [0,1,0,1,0,0|2,0,0]=4 17902 B13R1.581 COC(=O)C1CCCC1OCCO 34a_200000081814_100000211926 [0,1,0,1,0,0|2,0,0]=4 17903 B13R1.581 COC(=O)C1CCCC1OCCO 7a_200000081814_100000211926 [0,1,0,1,0,0|2,0,0]=4 17904 B13R1.581 COC(=O)C1CCCC1OCSC 34a_200000081814_100011218213 [0,1,0,1,0,0|2,0,0]=4 17905 B13R1.581 COC(=O)[C@@H]1CCCN1CCCF 2230a_100000752040_100011934791 [0,1,0,1,0,0|2,0,0]=4 17906 B13R1.581 COC(=O)[C@@H]1CCCN1CCCF 269982a_100000752040_100011934791 [0,1,0,1,0,0|2,0,0]=4 17907 B13R1.581 COC(=O)[C@@H]1CCCN1CCCO 2230a_100000752040_100000230001 [0,1,0,1,0,0|2,0,0]=4 17908 B13R1.581 COC(=O)[C@@H]1CCCN1CCCO 269982a_100000752040_100011215043 [0,1,0,1,0,0|2,0,0]=4 17909 B13R1.581 COC(=O)[C@@H]1CCCN1CCSC 2230a_100000752040_100000751147 [0,1,0,1,0,0|2,0,0]=4 17910 B13R1.581 COC(=O)[C@@H]1CCCN1CCSC 269982a_100000752040_100000212216 [0,1,0,1,0,0|2,0,0]=4 17911 B13R1.581 COCCN1CCC[C@H]1C(=O)OC 2230a_100000752040_100011201679 [0,1,0,1,0,0|2,0,0]=4 17912 B13R1.581 COCCN1CCC[C@H]1C(=O)OC 269982a_100000752040_100000233755 [0,1,0,1,0,0|2,0,0]=4 17913 B13R1.595 COC(=O)CCCCN1CCC1C 269982a_100000755817_100000204269 [0,1,0,1,0,0|1,0,0]=3 17914 B13R1.595 COC(=O)CCCCN1CCC1C 34a_100000755817_100000204269 [0,1,0,1,0,0|1,0,0]=3 17915 B13R1.595 COC(=O)COCCN1CCC1C 34a_100000755817_100000090808 [0,1,0,1,0,0|2,0,0]=4 17916 B13R1.599 CN1CCCC1CCNC(=O)CO 240690a_100011219722_100000210174 [0,1,0,1,0,0|2,0,0]=4 17917 B13R1.599 CN1CCCC1CCNC(=O)CO 527a_100011219722_100000210174 [0,1,0,1,0,0|2,0,0]=4 17918 B13R1.599 CNC(=O)CCCN1CCC[C@@H]1C 2230a_100020605311_100000741757 [0,1,0,1,0,0|2,0,0]=4 17919 B13R1.599 CNC(=O)CCCN1CCC[C@@H]1C 269982a_100020605311_100000741757 [0,1,0,1,0,0|2,0,0]=4 17920 B13R1.599 CNC(=O)CCCN1CCC[C@H]1C 2230a_100015189458_100000741757 [0,1,0,1,0,0|2,0,0]=4 17921 B13R1.599 CNC(=O)CCCN1CCC[C@H]1C 269982a_100015189458_100000741757 [0,1,0,1,0,0|2,0,0]=4 17922 B13R1.599 CNC(=O)CCCN1CCC[C@H]1C 34a_100015189458_100000741757 [0,1,0,1,0,0|2,0,0]=4 17923 B13R1.599 CNC(=O)CCNC1CCCC1C 269862a_100000738227_100000752053 [0,1,0,1,0,0|2,0,0]=4 17924 B13R1.599 CNC(=O)CCOC1CCCC1C 34a_100011216460_100012179268 [0,1,0,1,0,0|2,0,0]=4 17925 B13R1.599 CNC(=O)CCOC1CCCC1C 7a_100011216460_100000737683 [0,1,0,1,0,0|2,0,0]=4 17926 B13R1.599 COC(=O)CCCN1CCC[C@@H]1C 2230a_100020605311_100011218270 [0,1,0,1,0,0|1,0,0]=3 17927 B13R1.599 COC(=O)CCCN1CCC[C@@H]1C 269982a_100020605311_100011218270 [0,1,0,1,0,0|1,0,0]=3 17928 B13R1.599 COC(=O)CCCN1CCC[C@H]1C 2230a_100015189458_100011218270 [0,1,0,1,0,0|1,0,0]=3 17929 B13R1.599 COC(=O)CCCN1CCC[C@H]1C 269982a_100015189458_100011218270 [0,1,0,1,0,0|1,0,0]=3 17930 B13R1.599 COC(=O)CCCN1CCC[C@H]1C 34a_100015189458_100000742333 [0,1,0,1,0,0|1,0,0]=3 17931 B13R1.599 COC(=O)CCCN1CCSC1C 2230a_200011216479_100011218270 [0,1,0,1,0,0|2,0,0]=4 17932 B13R1.599 COC(=O)CCCN1CCSC1C 269982a_200011216479_100011218270 [0,1,0,1,0,0|2,0,0]=4 17933 B13R1.599 COC(=O)CCCN1CCSC1C 34a_200011216479_100000742333 [0,1,0,1,0,0|2,0,0]=4 17934 B13R1.599 COC(=O)CCOC1CCCC1C 34a_100011216460_100000742370 [0,1,0,1,0,0|1,0,0]=3 17935 B13R1.599 COC(=O)CCOC1CCCC1C 7a_100011216460_100000204255 [0,1,0,1,0,0|1,0,0]=3 17936 B13R1.599 COC(=O)CCO[C@@H]1CCC[C@H]1Cl 34a_200016002552_100000742370 [0,1,0,1,0,0|2,0,0]=4 17937 B13R1.599 COC(=O)CCO[C@H]1CCC[C@@H]1N 34a_100000748460_100000742370 [0,1,0,1,0,0|2,0,0]=4 17938 B13R1.599 COC(=O)CCO[C@H]1CNC[C@H]1C 34a_200015306588_100000742370 [0,1,0,1,0,0|2,0,0]=4 17939 B13R1.599 COC(=O)CCS[C@@H]1CCC[C@H]1O 62a_100000204255_200016002552 [0,1,0,1,0,0|2,0,0]=4 17940 B13R1.599 COC(=O)CCS[C@@H]1CCC[C@H]1O 62a_200016002552_100000204255 [0,1,0,1,0,0|2,0,0]=4 17941 B13R1.599 COC(=O)COCC1CCCN1C 34a_100000743107_100000747449 [0,1,0,1,0,0|2,0,0]=4 17942 B13R1.613 CCC1CCCC1NCC(=O)NC 269862a_100000693194_100000749056 [0,1,0,1,0,0|2,0,0]=4 17943 B13R1.613 CCC1CCCC1NCC(=O)NC 270004a_100000693194_100000749056 [0,1,0,1,0,0|2,0,0]=4 17944 B13R1.613 CCC1CCCN1CCC(=O)NC 2230a_100000754278_100000737683 [0,1,0,1,0,0|2,0,0]=4 17945 B13R1.613 CCC1CCCN1CCC(=O)NC 269982a_100000754278_100000737683 [0,1,0,1,0,0|2,0,0]=4 17946 B13R1.613 CCC1CCCN1CCC(=O)NC 34a_100000754278_100012179268 [0,1,0,1,0,0|2,0,0]=4 17947 B13R1.613 CCC1CCCN1CCC(=O)OC 2230a_100000754278_100000204255 [0,1,0,1,0,0|1,0,0]=3 17948 B13R1.613 CCC1CCCN1CCC(=O)OC 269982a_100000754278_100000204255 [0,1,0,1,0,0|1,0,0]=3 17949 B13R1.613 CCC1CCCN1CCC(=O)OC 34a_100000754278_100000742370 [0,1,0,1,0,0|1,0,0]=3 17950 B13R1.613 CCN1CCCC1CNC(=O)CO 240690a_100000211693_100000210174 [0,1,0,1,0,0|2,0,0]=4 17951 B13R1.613 CCN1CCCC1CNC(=O)CO 527a_100000211693_100000210174 [0,1,0,1,0,0|2,0,0]=4 17952 B13R1.613 COC(=O)CCN1CCC[C@@H]1CO 2230a_100000745186_100000204255 [0,1,0,1,0,0|2,0,0]=4 17953 B13R1.613 COC(=O)CCN1CCC[C@@H]1CO 269982a_100000745186_100000204255 [0,1,0,1,0,0|2,0,0]=4 17954 B13R1.613 COC(=O)CCN1CCC[C@@H]1CO 34a_100000745186_100000742370 [0,1,0,1,0,0|2,0,0]=4 17955 B13R1.667 CCCCCCCOC1CCC1=O 34a_100000210272_100009892977 [0,1,0,1,0,0|2,0,0]=4 17956 B13R1.667 CCCCCCCOC1CCC1=O 7a_100000210272_100009892977 [0,1,0,1,0,0|2,0,0]=4 17957 B13R1.667 CCCCCCCSC1CCC1=O 62a_100000210614_100009892977 [0,1,0,1,0,0|2,0,0]=4 17958 B13R1.667 CCCCCCCSC1CCC1=O 62a_100009892977_100000210316 [0,1,0,1,0,0|2,0,0]=4 17959 B13R1.667 CCCCCNCCC1CCC1=O 2230a_100000209983_200016118888 [0,1,0,1,0,0|2,0,0]=4 17960 B13R1.667 CCCCCOCCC1CCC1=O 7a_100000210253_200016118888 [0,1,0,1,0,0|2,0,0]=4 17961 B13R1.667 CCCCCSCCC1CCC1=O 62a_100000210326_200016118888 [0,1,0,1,0,0|2,0,0]=4 17962 B13R1.667 CCCCCSCCC1CCC1=O 62a_200016118888_100000210326 [0,1,0,1,0,0|2,0,0]=4 17963 B13R1.718 C#CC(=O)CCCC1CCCCC1 1458a_100000211873_100011713725 [0,1,0,1,0,0|1,0,0]=3 17964 B13R1.718 C#CC(=O)CCCN1CCCCC1 1458a_100000211873_100000690320 [0,1,0,1,0,0|2,0,0]=4 17965 B13R1.718 C#CC(=O)CCOC1CCCCC1 1458a_100000211873_100011211530 [0,1,0,1,0,0|2,0,0]=4 17966 B13R1.718 C=CC(=O)CCCC1CCCCC1 1458a_100000185746_100011713725 [0,1,0,1,0,0|1,0,0]=3 17967 B13R1.718 C=CC(=O)CCCN1CCCCC1 1458a_100000185746_100000690320 [0,1,0,1,0,0|2,0,0]=4 17968 B13R1.718 C=CC(=O)CCOC1CCCCC1 1458a_100000185746_100011211530 [0,1,0,1,0,0|2,0,0]=4 17969 B13R1.718 C=CC(=O)NCCC1CCCCC1 1626a_100000738074_100000185746 [0,1,0,1,0,0|2,0,0]=4 17970 B13R1.718 C=CC(=O)NCCC1CCCCC1 240690a_100000738074_200121576911 [0,1,0,1,0,0|2,0,0]=4 17971 B13R1.718 CCC(=O)CCCC1CCCCC1 1458a_100000210414_100011713725 [0,1,0,1,0,0|1,0,0]=3 17972 B13R1.718 CCC(=O)CCCC1CCCCC1 1458a_100000211478_100000210202 [0,1,0,1,0,0|1,0,0]=3 17973 B13R1.718 CCC(=O)CCCN1CCCCC1 1458a_100000210414_100000690320 [0,1,0,1,0,0|2,0,0]=4 17974 B13R1.718 CCC(=O)CCCN1CCCCC1 1458a_100000742516_100000210202 [0,1,0,1,0,0|2,0,0]=4 17975 B13R1.718 CCC(=O)CCOC1CCCCC1 1458a_100000210414_100011211530 [0,1,0,1,0,0|2,0,0]=4 17976 B13R1.718 CCC(=O)COCC1CCCCC1 34a_100000725409_100000211423 [0,1,0,1,0,0|2,0,0]=4 17977 B13R1.718 CCC(=O)COCC1CCCCC1 7a_100000212181_100000747405 [0,1,0,1,0,0|2,0,0]=4 17978 B13R1.718 CCC(=O)CSCC1CCCCC1 62a_100000211423_100000747405 [0,1,0,1,0,0|2,0,0]=4 17979 B13R1.718 CCC(=O)CSCC1CCCCC1 62a_100000747405_100000211423 [0,1,0,1,0,0|2,0,0]=4 17980 B13R1.718 CCC(=O)NCCC1CCCCC1 11a_100000738074_100000210414 [0,1,0,1,0,0|2,0,0]=4 17981 B13R1.718 CCC(=O)NCCC1CCCCC1 1626a_100000738074_100000210414 [0,1,0,1,0,0|2,0,0]=4 17982 B13R1.718 CCC(=O)NCCC1CCCCC1 240690a_100000738074_100000210414 [0,1,0,1,0,0|2,0,0]=4 17983 B13R1.718 CCC(=O)NCCC1CCCCC1 527a_100000738074_100000210414 [0,1,0,1,0,0|2,0,0]=4 17984 B13R1.718 CNC(=O)CCCC1CCCCC1 11a_106832991635_100000211478 [0,1,0,1,0,0|1,0,0]=3 17985 B13R1.718 CNC(=O)CCCC1CCCCC1 1626a_100102657272_100000211478 [0,1,0,1,0,0|1,0,0]=3 17986 B13R1.718 CNC(=O)CCCC1CCCCC1 240690a_100102657272_100000211478 [0,1,0,1,0,0|1,0,0]=3 17987 B13R1.718 CNC(=O)CCCC1CCCCC1 527a_100102657272_100000211478 [0,1,0,1,0,0|1,0,0]=3 17988 B13R1.718 CNC(=O)CCCN1CCCCC1 240690a_100102657272_100000742516 [0,1,0,1,0,0|2,0,0]=4 17989 B13R1.718 CNC(=O)CCNC1CCCCC1 2230a_100000182618_100000737683 [0,1,0,1,0,0|2,0,0]=4 17990 B13R1.718 CNC(=O)CCNC1CCCCC1 270004a_100000738227_100000210434 [0,1,0,1,0,0|2,0,0]=4 17991 B13R1.718 CNC(=O)CCNC1CCCCC1 34a_100000182618_100012179268 [0,1,0,1,0,0|2,0,0]=4 17992 B13R1.718 CNC(=O)CCNC1CCCCC1 34a_100000738227_100000210327 [0,1,0,1,0,0|2,0,0]=4 17993 B13R1.718 CNC(=O)CCOC1CCCCC1 34a_100000210231_100012179268 [0,1,0,1,0,0|2,0,0]=4 17994 B13R1.718 CNC(=O)CCOC1CCCCC1 34a_100000754576_100000210327 [0,1,0,1,0,0|2,0,0]=4 17995 B13R1.718 CNC(=O)CCOC1CCCCC1 7a_100000210231_100000737683 [0,1,0,1,0,0|2,0,0]=4 17996 B13R1.718 CNC(=O)CCSC1CCCCC1 62a_100000210327_100000737683 [0,1,0,1,0,0|2,0,0]=4 17997 B13R1.718 CNC(=O)CCSC1CCCCC1 62a_100000737683_100000210327 [0,1,0,1,0,0|2,0,0]=4 17998 B13R1.718 CNC(=O)CNCC1CCCCC1 2230a_100000210473_100000183359 [0,1,0,1,0,0|2,0,0]=4 17999 B13R1.718 CNC(=O)CNCC1CCCCC1 2230a_100000693194_100000211423 [0,1,0,1,0,0|2,0,0]=4 18000 B13R1.718 CNC(=O)CNCC1CCCCC1 269862a_100000693194_100000211278 [0,1,0,1,0,0|2,0,0]=4 18001 B13R1.718 CNC(=O)CNCC1CCCCC1 34a_100000210473_100000183359 [0,1,0,1,0,0|2,0,0]=4 18002 B13R1.718 CNC(=O)COCC1CCCCC1 34a_100000212181_100000183359 [0,1,0,1,0,0|2,0,0]=4 18003 B13R1.718 CNC(=O)COCC1CCCCC1 34a_100000750040_100000211423 [0,1,0,1,0,0|2,0,0]=4 18004 B13R1.718 CNC(=O)COCC1CCCCC1 7a_100000212181_100000183359 [0,1,0,1,0,0|2,0,0]=4 18005 B13R1.718 CNC(=O)CSCC1CCCCC1 62a_100000183359_100000211423 [0,1,0,1,0,0|2,0,0]=4 18006 B13R1.718 CNC(=O)CSCC1CCCCC1 62a_100000211423_100000183359 [0,1,0,1,0,0|2,0,0]=4 18007 B13R1.718 CNC(=O)NCCC1CCCCC1 2708a_100000738074_106832991635 [0,1,0,1,0,0|2,0,0]=4 18008 B13R1.718 CNC(=O)NCCC1CCCCC1 2708a_100102657272_100000738074 [0,1,0,1,0,0|2,0,0]=4 18009 B13R1.718 CNC(=O)NCCC1CCCCC1 273464a_100000738074_100102657272 [0,1,0,1,0,0|2,0,0]=4 18010 B13R1.718 CNC(=O)NCCC1CCCCC1 273464a_100102657272_100000738074 [0,1,0,1,0,0|2,0,0]=4 18011 B13R1.718 CNC(=O)NCCC1CCCCC1 512a_100000738074_100102657272 [0,1,0,1,0,0|2,0,0]=4 18012 B13R1.718 CNC(=O)NCCC1CCCCC1 512a_106832991638_100000738074 [0,1,0,1,0,0|2,0,0]=4 18013 B13R1.718 COC(=O)CCCN1CCCOC1 2230a_100000131196_100011218270 [0,1,0,1,0,0|2,0,0]=4 18014 B13R1.718 COC(=O)CCCN1CCCOC1 269982a_100000131196_100011218270 [0,1,0,1,0,0|2,0,0]=4 18015 B13R1.718 COC(=O)CCCN1CCCOC1 34a_100000131196_100000742333 [0,1,0,1,0,0|2,0,0]=4 18016 B13R1.718 COC(=O)CCCN1CCOCC1 2230a_100015191051_100011218270 [0,1,0,1,0,0|2,0,0]=4 18017 B13R1.718 COC(=O)CCCN1CCOCC1 269982a_100015191051_100011218270 [0,1,0,1,0,0|2,0,0]=4 18018 B13R1.718 COC(=O)CCCN1CCOCC1 34a_100015191051_100000742333 [0,1,0,1,0,0|2,0,0]=4 18019 B13R1.718 COC(=O)CCCN1CCSCC1 2230a_100000737611_100011218270 [0,1,0,1,0,0|2,0,0]=4 18020 B13R1.718 COC(=O)CCCN1CCSCC1 269982a_100000737611_100011218270 [0,1,0,1,0,0|2,0,0]=4 18021 B13R1.718 COC(=O)CCNC1CCCCC1 2230a_100000182618_100000204255 [0,1,0,1,0,0|1,0,0]=3 18022 B13R1.718 COC(=O)CCNC1CCCCC1 34a_100000182618_100000742370 [0,1,0,1,0,0|1,0,0]=3 18023 B13R1.718 COC(=O)CCNC1CCCOC1 2230a_100000719290_100000204255 [0,1,0,1,0,0|2,0,0]=4 18024 B13R1.718 COC(=O)CCNC1CCCOC1 34a_100000719290_100000742370 [0,1,0,1,0,0|2,0,0]=4 18025 B13R1.718 COC(=O)CCNC1CCOCC1 2230a_100000741149_100000204255 [0,1,0,1,0,0|2,0,0]=4 18026 B13R1.718 COC(=O)CCNC1CCOCC1 34a_100000741149_100000742370 [0,1,0,1,0,0|2,0,0]=4 18027 B13R1.718 COC(=O)CCNC1CCSCC1 2230a_100000748639_100000204255 [0,1,0,1,0,0|2,0,0]=4 18028 B13R1.718 COC(=O)CCNC1CCSCC1 34a_100000748639_100000742370 [0,1,0,1,0,0|2,0,0]=4 18029 B13R1.718 COC(=O)CCOC1CCCCC1 34a_100000210231_100000742370 [0,1,0,1,0,0|1,0,0]=3 18030 B13R1.718 COC(=O)CCOC1CCCCC1 7a_100000210231_100000204255 [0,1,0,1,0,0|1,0,0]=3 18031 B13R1.718 COC(=O)CCOC1CCCCO1 34a_100000033831_100000742370 [0,1,0,1,0,0|2,0,0]=4 18032 B13R1.718 COC(=O)CCOC1CCCOC1 34a_100000754041_100000742370 [0,1,0,1,0,0|2,0,0]=4 18033 B13R1.718 COC(=O)CCOC1CCCSC1 7a_100015962668_100000204255 [0,1,0,1,0,0|2,0,0]=4 18034 B13R1.718 COC(=O)CCOC1CCOCC1 34a_100000744328_100000742370 [0,1,0,1,0,0|2,0,0]=4 18035 B13R1.718 COC(=O)CCOC1CCSCC1 34a_100000731022_100000742370 [0,1,0,1,0,0|2,0,0]=4 18036 B13R1.718 COC(=O)CCOC1CCSCC1 7a_100000731022_100000204255 [0,1,0,1,0,0|2,0,0]=4 18037 B13R1.718 COC(=O)CCSC1CCCCC1 62a_100000204255_100000210327 [0,1,0,1,0,0|1,0,0]=3 18038 B13R1.718 COC(=O)CCSC1CCCCC1 62a_100000210327_100000204255 [0,1,0,1,0,0|1,0,0]=3 18039 B13R1.718 COC(=O)CCSC1CCCOC1 62a_100000204255_100000693364 [0,1,0,1,0,0|2,0,0]=4 18040 B13R1.718 COC(=O)CCSC1CCOCC1 62a_100000204255_100011324220 [0,1,0,1,0,0|2,0,0]=4 18041 B13R1.718 COC(=O)CCSC1CCSCC1 62a_100000204255_100000069128 [0,1,0,1,0,0|2,0,0]=4 18042 B13R1.718 COC(=O)CNCC1CCCCC1 2230a_100000210473_100000747449 [0,1,0,1,0,0|1,0,0]=3 18043 B13R1.718 COC(=O)CNCC1CCCCC1 34a_100000210473_100000747449 [0,1,0,1,0,0|1,0,0]=3 18044 B13R1.718 COC(=O)CNCC1CCCCO1 2230a_100000174945_100000747449 [0,1,0,1,0,0|2,0,0]=4 18045 B13R1.718 COC(=O)CNCC1CCCCO1 34a_100000174945_100000747449 [0,1,0,1,0,0|2,0,0]=4 18046 B13R1.718 COC(=O)CNCC1CCCOC1 2230a_100000720124_100000747449 [0,1,0,1,0,0|2,0,0]=4 18047 B13R1.718 COC(=O)CNCC1CCCOC1 34a_100000720124_100000747449 [0,1,0,1,0,0|2,0,0]=4 18048 B13R1.718 COC(=O)CNCC1CCOCC1 2230a_100000746373_100000747449 [0,1,0,1,0,0|2,0,0]=4 18049 B13R1.718 COC(=O)CNCC1CCOCC1 34a_100000746373_100000747449 [0,1,0,1,0,0|2,0,0]=4 18050 B13R1.718 COC(=O)CNCC1CCSCC1 2230a_100015188806_100000747449 [0,1,0,1,0,0|2,0,0]=4 18051 B13R1.718 COC(=O)CNCC1CCSCC1 34a_100015188806_100000747449 [0,1,0,1,0,0|2,0,0]=4 18052 B13R1.718 COC(=O)COCC1CCCCC1 34a_100000212181_100000747449 [0,1,0,1,0,0|1,0,0]=3 18053 B13R1.718 COC(=O)COCC1CCCCC1 7a_100000212181_100000747449 [0,1,0,1,0,0|1,0,0]=3 18054 B13R1.718 COC(=O)COCC1CCCCN1 34a_100000210821_100000747449 [0,1,0,1,0,0|2,0,0]=4 18055 B13R1.718 COC(=O)COCC1CCCCO1 34a_100000211370_100000747449 [0,1,0,1,0,0|2,0,0]=4 18056 B13R1.718 COC(=O)COCC1CCCCO1 7a_100000211370_100000747449 [0,1,0,1,0,0|2,0,0]=4 18057 B13R1.718 COC(=O)COCC1CCCNC1 34a_100000211344_100000747449 [0,1,0,1,0,0|2,0,0]=4 18058 B13R1.718 COC(=O)COCC1CCCOC1 34a_100000741520_100000747449 [0,1,0,1,0,0|2,0,0]=4 18059 B13R1.718 COC(=O)COCC1CCNCC1 34a_100000738675_100000747449 [0,1,0,1,0,0|2,0,0]=4 18060 B13R1.718 COC(=O)COCC1CCOCC1 34a_100000749013_100000747449 [0,1,0,1,0,0|2,0,0]=4 18061 B13R1.718 COC(=O)COCC1CCSCC1 34a_100000070558_100000747449 [0,1,0,1,0,0|2,0,0]=4 18062 B13R1.718 COC(=O)COCC1CCSCC1 7a_100000070558_100000747449 [0,1,0,1,0,0|2,0,0]=4 18063 B13R1.718 COC(=O)CSCC1CCCCC1 62a_100000211423_100000747449 [0,1,0,1,0,0|1,0,0]=3 18064 B13R1.718 COC(=O)CSCC1CCCCC1 62a_100000747449_100000211423 [0,1,0,1,0,0|1,0,0]=3 18065 B13R1.718 COC(=O)CSCC1CCCCO1 62a_100000211543_100000747449 [0,1,0,1,0,0|2,0,0]=4 18066 B13R1.718 COC(=O)CSCC1CCCCO1 62a_100000747449_100000211543 [0,1,0,1,0,0|2,0,0]=4 18067 B13R1.718 COC(=O)CSCC1CCCOC1 62a_100000741521_100000747449 [0,1,0,1,0,0|2,0,0]=4 18068 B13R1.718 COC(=O)CSCC1CCCOC1 62a_100000747449_100000741521 [0,1,0,1,0,0|2,0,0]=4 18069 B13R1.718 COC(=O)CSCC1CCOCC1 62a_100000747449_100000749018 [0,1,0,1,0,0|2,0,0]=4 18070 B13R1.718 COC(=O)CSCC1CCOCC1 62a_100000754603_100000747449 [0,1,0,1,0,0|2,0,0]=4 18071 B13R1.718 COC(=O)OCSC1CCCCC1 62a_100000210327_100000139417 [0,1,0,1,0,0|2,0,0]=4 18072 B13R1.718 NC(=NO)CCOC1CCCCC1 34a_100000749954_100000210327 [0,1,0,1,0,0|2,0,0]=4 18073 B13R1.718 O=C(CF)CCCC1CCCCC1 1458a_100000211478_100015361967 [0,1,0,1,0,0|1,0,0]=3 18074 B13R1.718 O=C(CF)CCCN1CCCCC1 1458a_100000742516_100015361967 [0,1,0,1,0,0|2,0,0]=4 18075 B13R1.718 O=C(CO)CCCC1CCCCC1 1458a_100000210174_100011713725 [0,1,0,1,0,0|0,0,0]=2 18076 B13R1.718 O=C(CO)CCCN1CCCCC1 1458a_100000210174_100000690320 [0,1,0,1,0,0|1,0,0]=3 18077 B13R1.718 O=C(CO)CCCN1CCOCC1 1458a_100000210174_100000748698 [0,1,0,1,0,0|2,0,0]=4 18078 B13R1.718 O=C(CO)CCOC1CCCCC1 1458a_100000210174_100011211530 [0,1,0,1,0,0|1,0,0]=3 18079 B13R1.718 O=C(CO)CCOC1CCCCO1 1458a_100000210174_100000744793 [0,1,0,1,0,0|2,0,0]=4 18080 B13R1.718 O=C(CO)NCCC1CCCCC1 240690a_100000738074_100000210174 [0,1,0,1,0,0|1,0,0]=3 18081 B13R1.718 O=C(CO)NCCC1CCCCC1 527a_100000738074_100000210174 [0,1,0,1,0,0|1,0,0]=3 18082 B13R1.718 O=C(CO)NCCC1CCCCO1 240690a_100015183643_100000210174 [0,1,0,1,0,0|2,0,0]=4 18083 B13R1.718 O=C(CO)NCCC1CCCCO1 527a_100015183643_100000210174 [0,1,0,1,0,0|2,0,0]=4 18084 B13R1.718 O=C(CO)NCCC1CCOCC1 240690a_100000755988_100000210174 [0,1,0,1,0,0|2,0,0]=4 18085 B13R1.718 O=C(CO)NCCC1CCOCC1 527a_100000755988_100000210174 [0,1,0,1,0,0|2,0,0]=4 18086 B13R1.718 O=C(CO)NCCN1CCCCC1 240690a_100000216509_100000210174 [0,1,0,1,0,0|2,0,0]=4 18087 B13R1.718 O=C(CO)NCCN1CCCCC1 527a_100000216509_100000210174 [0,1,0,1,0,0|2,0,0]=4 18088 B13R1.718 O=C(CO)NNCC1CCCCC1 22a_100000740227_100000210174 [0,1,0,1,0,0|2,0,0]=4 18089 B13R1.1689 C=CC(=O)N1CCCCCCCC1 1626a_100000039187_100000185746 [0,1,0,1,0,0|2,0,0]=4 18090 B13R1.1689 C=CC(=O)N1CCCCCCCC1 240690a_100000039187_200121576911 [0,1,0,1,0,0|2,0,0]=4 18091 B13R1.1689 CCC(=O)N1CCCCCCCC1 11a_100000039187_100000210414 [0,1,0,1,0,0|2,0,0]=4 18092 B13R1.1689 CCC(=O)N1CCCCCCCC1 1626a_100000039187_100000210414 [0,1,0,1,0,0|2,0,0]=4 18093 B13R1.1689 CCC(=O)N1CCCCCCCC1 240690a_100000039187_100000210414 [0,1,0,1,0,0|2,0,0]=4 18094 B13R1.1689 CCC(=O)N1CCCCCCCC1 527a_100000039187_100000210414 [0,1,0,1,0,0|2,0,0]=4 18095 B13R1.1689 CNC(=O)N1CCCCCCCC1 2708a_100102657272_100000039187 [0,1,0,1,0,0|2,0,0]=4 18096 B13R1.1689 CNC(=O)N1CCCCCCCC1 273464a_100102657272_100000039187 [0,1,0,1,0,0|2,0,0]=4 18097 B13R1.1689 O=C(CO)N1CCCCCCCC1 240690a_100000039187_100000210174 [0,1,0,1,0,0|1,0,0]=3 18098 B13R1.1689 O=C(CO)N1CCCCCCCC1 527a_100000039187_100000210174 [0,1,0,1,0,0|1,0,0]=3 18099 B13R1.1711 C#CC(=O)CCN1CCCCCC1 1458a_100000211873_100000722644 [0,1,0,1,0,0|2,0,0]=4 18100 B13R1.1711 C=CC(=O)CCN1CCCCCC1 1458a_100000185746_100000722644 [0,1,0,1,0,0|2,0,0]=4 18101 B13R1.1711 C=CC(=O)NCC1CCCCCC1 1626a_100015204231_100000185746 [0,1,0,1,0,0|2,0,0]=4 18102 B13R1.1711 C=CC(=O)NCC1CCCCCC1 240690a_100015204231_200121576911 [0,1,0,1,0,0|2,0,0]=4 18103 B13R1.1711 CCC(=O)CCN1CCCCCC1 1458a_100000210414_100000722644 [0,1,0,1,0,0|2,0,0]=4 18104 B13R1.1711 CCC(=O)CCN1CCCCCC1 1458a_100000740320_100000210202 [0,1,0,1,0,0|2,0,0]=4 18105 B13R1.1711 CCC(=O)COC1CCCCCC1 34a_100000725409_100011217769 [0,1,0,1,0,0|2,0,0]=4 18106 B13R1.1711 CCC(=O)COC1CCCCCC1 7a_100000210887_100000747405 [0,1,0,1,0,0|2,0,0]=4 18107 B13R1.1711 CCC(=O)CSC1CCCCCC1 62a_100000747405_100011217769 [0,1,0,1,0,0|2,0,0]=4 18108 B13R1.1711 CCC(=O)CSC1CCCCCC1 62a_100011217769_100000747405 [0,1,0,1,0,0|2,0,0]=4 18109 B13R1.1711 CCC(=O)NCC1CCCCCC1 11a_100015204231_100000210414 [0,1,0,1,0,0|2,0,0]=4 18110 B13R1.1711 CCC(=O)NCC1CCCCCC1 1626a_100015204231_100000210414 [0,1,0,1,0,0|2,0,0]=4 18111 B13R1.1711 CCC(=O)NCC1CCCCCC1 240690a_100015204231_100000210414 [0,1,0,1,0,0|2,0,0]=4 18112 B13R1.1711 CCC(=O)NCC1CCCCCC1 527a_100015204231_100000210414 [0,1,0,1,0,0|2,0,0]=4 18113 B13R1.1711 CNC(=O)CCN1CCCCCC1 2230a_100000185865_100000737683 [0,1,0,1,0,0|2,0,0]=4 18114 B13R1.1711 CNC(=O)CCN1CCCCCC1 240690a_100102657272_100000740320 [0,1,0,1,0,0|2,0,0]=4 18115 B13R1.1711 CNC(=O)CCN1CCCCCC1 269982a_100000185865_100000737683 [0,1,0,1,0,0|2,0,0]=4 18116 B13R1.1711 CNC(=O)CCN1CCCCCC1 34a_100000185865_100012179268 [0,1,0,1,0,0|2,0,0]=4 18117 B13R1.1711 CNC(=O)CNC1CCCCCC1 2230a_100000210984_100000183359 [0,1,0,1,0,0|2,0,0]=4 18118 B13R1.1711 CNC(=O)CNC1CCCCCC1 270004a_100000693194_100000210131 [0,1,0,1,0,0|2,0,0]=4 18119 B13R1.1711 CNC(=O)CNC1CCCCCC1 34a_100000210984_100000183359 [0,1,0,1,0,0|2,0,0]=4 18120 B13R1.1711 CNC(=O)COC1CCCCCC1 34a_100000210887_100000183359 [0,1,0,1,0,0|2,0,0]=4 18121 B13R1.1711 CNC(=O)COC1CCCCCC1 34a_100000750040_100011217769 [0,1,0,1,0,0|2,0,0]=4 18122 B13R1.1711 CNC(=O)COC1CCCCCC1 7a_100000210887_100000183359 [0,1,0,1,0,0|2,0,0]=4 18123 B13R1.1711 CNC(=O)CSC1CCCCCC1 62a_100000183359_100011217769 [0,1,0,1,0,0|2,0,0]=4 18124 B13R1.1711 CNC(=O)CSC1CCCCCC1 62a_100011217769_100000183359 [0,1,0,1,0,0|2,0,0]=4 18125 B13R1.1711 CNC(=O)NCC1CCCCCC1 2708a_100015204231_106832991635 [0,1,0,1,0,0|2,0,0]=4 18126 B13R1.1711 CNC(=O)NCC1CCCCCC1 2708a_100102657272_100015204231 [0,1,0,1,0,0|2,0,0]=4 18127 B13R1.1711 CNC(=O)NCC1CCCCCC1 273464a_100015204231_100102657272 [0,1,0,1,0,0|2,0,0]=4 18128 B13R1.1711 CNC(=O)NCC1CCCCCC1 273464a_100102657272_100015204231 [0,1,0,1,0,0|2,0,0]=4 18129 B13R1.1711 CNC(=O)NCC1CCCCCC1 512a_106832991638_100015204231 [0,1,0,1,0,0|2,0,0]=4 18130 B13R1.1711 COC(=O)CCN1CCCCCC1 2230a_100000185865_100000204255 [0,1,0,1,0,0|1,0,0]=3 18131 B13R1.1711 COC(=O)CCN1CCCCCC1 269982a_100000185865_100000204255 [0,1,0,1,0,0|1,0,0]=3 18132 B13R1.1711 COC(=O)CCN1CCCCCC1 34a_100000185865_100000742370 [0,1,0,1,0,0|1,0,0]=3 18133 B13R1.1711 COC(=O)CCN1CCCOCC1 2230a_100000685342_100000204255 [0,1,0,1,0,0|2,0,0]=4 18134 B13R1.1711 COC(=O)CCN1CCCOCC1 269982a_100000685342_100000204255 [0,1,0,1,0,0|2,0,0]=4 18135 B13R1.1711 COC(=O)CCN1CCCOCC1 34a_100000685342_100000742370 [0,1,0,1,0,0|2,0,0]=4 18136 B13R1.1711 COC(=O)CNC1CCCCCC1 2230a_100000210984_100000747449 [0,1,0,1,0,0|1,0,0]=3 18137 B13R1.1711 COC(=O)CNC1CCCCCC1 34a_100000210984_100000747449 [0,1,0,1,0,0|1,0,0]=3 18138 B13R1.1711 COC(=O)COC1CCCCCC1 34a_100000210887_100000747449 [0,1,0,1,0,0|1,0,0]=3 18139 B13R1.1711 COC(=O)COC1CCCCCC1 7a_100000210887_100000747449 [0,1,0,1,0,0|1,0,0]=3 18140 B13R1.1711 COC(=O)CSC1CCCCCC1 62a_100000747449_100011217769 [0,1,0,1,0,0|1,0,0]=3 18141 B13R1.1711 COC(=O)CSC1CCCCCC1 62a_100011217769_100000747449 [0,1,0,1,0,0|1,0,0]=3 18142 B13R1.1711 O=C(CF)CCN1CCCCCC1 1458a_100000740320_100015361967 [0,1,0,1,0,0|2,0,0]=4 18143 B13R1.1711 O=C(CO)CCN1CCCCCC1 1458a_100000210174_100000722644 [0,1,0,1,0,0|1,0,0]=3 18144 B13R1.1711 O=C(CO)NCC1CCCCCC1 240690a_100015204231_100000210174 [0,1,0,1,0,0|1,0,0]=3 18145 B13R1.1711 O=C(CO)NCC1CCCCCC1 527a_100015204231_100000210174 [0,1,0,1,0,0|1,0,0]=3 18146 B13R1.1870 C=CC(=O)NC1CCCCCCC1 1626a_100000211152_100000185746 [0,1,0,1,0,0|2,0,0]=4 18147 B13R1.1870 C=CC(=O)NC1CCCCCCC1 240690a_100000211152_200121576911 [0,1,0,1,0,0|2,0,0]=4 18148 B13R1.1870 CCC(=O)CN1CCCCCCC1 269982a_100000211400_100000747405 [0,1,0,1,0,0|2,0,0]=4 18149 B13R1.1870 CCC(=O)NC1CCCCCCC1 11a_100000211152_100000210414 [0,1,0,1,0,0|2,0,0]=4 18150 B13R1.1870 CCC(=O)NC1CCCCCCC1 1626a_100000211152_100000210414 [0,1,0,1,0,0|2,0,0]=4 18151 B13R1.1870 CCC(=O)NC1CCCCCCC1 240690a_100000211152_100000210414 [0,1,0,1,0,0|2,0,0]=4 18152 B13R1.1870 CCC(=O)NC1CCCCCCC1 527a_100000211152_100000210414 [0,1,0,1,0,0|2,0,0]=4 18153 B13R1.1870 CNC(=O)CN1CCCCCCC1 2230a_100000211400_100000183359 [0,1,0,1,0,0|2,0,0]=4 18154 B13R1.1870 CNC(=O)CN1CCCCCCC1 269982a_100000211400_100000183359 [0,1,0,1,0,0|2,0,0]=4 18155 B13R1.1870 CNC(=O)CN1CCCCCCC1 34a_100000211400_100000183359 [0,1,0,1,0,0|2,0,0]=4 18156 B13R1.1870 CNC(=O)NC1CCCCCCC1 2708a_100000211152_106832991635 [0,1,0,1,0,0|2,0,0]=4 18157 B13R1.1870 CNC(=O)NC1CCCCCCC1 2708a_100102657272_100000211152 [0,1,0,1,0,0|2,0,0]=4 18158 B13R1.1870 CNC(=O)NC1CCCCCCC1 273464a_100000211152_100102657272 [0,1,0,1,0,0|2,0,0]=4 18159 B13R1.1870 CNC(=O)NC1CCCCCCC1 273464a_100102657272_100000211152 [0,1,0,1,0,0|2,0,0]=4 18160 B13R1.1870 CNC(=O)NC1CCCCCCC1 512a_100000211152_100102657272 [0,1,0,1,0,0|2,0,0]=4 18161 B13R1.1870 CNC(=O)NC1CCCCCCC1 512a_106832991638_100000211152 [0,1,0,1,0,0|2,0,0]=4 18162 B13R1.1870 COC(=O)CN1CCCCCCC1 2230a_100000211400_100000747449 [0,1,0,1,0,0|1,0,0]=3 18163 B13R1.1870 COC(=O)CN1CCCCCCC1 269982a_100000211400_100000747449 [0,1,0,1,0,0|1,0,0]=3 18164 B13R1.1870 COC(=O)CN1CCCCCCC1 34a_100000211400_100000747449 [0,1,0,1,0,0|1,0,0]=3 18165 B13R1.1870 O=C(CO)NC1CCCCCCC1 240690a_100000211152_100000210174 [0,1,0,1,0,0|1,0,0]=3 18166 B13R1.1870 O=C(CO)NC1CCCCCCC1 527a_100000211152_100000210174 [0,1,0,1,0,0|1,0,0]=3 18167 B13R1.1885 CCCCCCN1CC1C(=O)OC 2230a_200009830135_100000210314 [0,1,0,1,0,0|1,0,0]=3 18168 B13R1.1885 CCCCOCN1CC1C(=O)OC 2230a_200009830135_100011995733 [0,1,0,1,0,0|2,0,0]=4 18169 B13R1.1885 CCCOCCN1CC1C(=O)OC 2230a_200009830135_100011215938 [0,1,0,1,0,0|2,0,0]=4 18170 B13R1.1885 CCOCCCN1CC1C(=O)OC 2230a_200009830135_100012232248 [0,1,0,1,0,0|2,0,0]=4 18171 B13R1.1885 COC(=O)C1CN1CCCCCF 2230a_200009830135_100000729378 [0,1,0,1,0,0|2,0,0]=4 18172 B13R1.1885 COC(=O)C1CN1CCCCCO 2230a_200009830135_100000746330 [0,1,0,1,0,0|2,0,0]=4 18173 B13R1.1885 COCCCCN1CC1C(=O)OC 2230a_200009830135_100000730899 [0,1,0,1,0,0|2,0,0]=4 18174 B13R1.2855 CCCCCN1CC[C@H]1C(=O)OC 2230a_102516456887_100000210326 [0,1,0,1,0,0|1,0,0]=3 18175 B13R1.2855 CCCCCN1CC[C@H]1C(=O)OC 269982a_102516456887_100000210215 [0,1,0,1,0,0|1,0,0]=3 18176 B13R1.2855 CCOCCN1CC[C@H]1C(=O)OC 2230a_102516456887_100011215890 [0,1,0,1,0,0|2,0,0]=4 18177 B13R1.2855 CCOCCN1CC[C@H]1C(=O)OC 269982a_102516456887_100011215890 [0,1,0,1,0,0|2,0,0]=4 18178 B13R1.2855 CCSCCN1CC[C@H]1C(=O)OC 2230a_102516456887_100000757381 [0,1,0,1,0,0|2,0,0]=4 18179 B13R1.2855 CCSCCN1CC[C@H]1C(=O)OC 269982a_102516456887_100000757381 [0,1,0,1,0,0|2,0,0]=4 18180 B13R1.2855 COC(=O)[C@@H]1CCN1CCCCF 2230a_102516456887_100000729493 [0,1,0,1,0,0|2,0,0]=4 18181 B13R1.2855 COC(=O)[C@@H]1CCN1CCCCF 269982a_102516456887_100000729493 [0,1,0,1,0,0|2,0,0]=4 18182 B13R1.2855 COC(=O)[C@@H]1CCN1CCCCO 2230a_102516456887_100000210776 [0,1,0,1,0,0|2,0,0]=4 18183 B13R1.2855 COC(=O)[C@@H]1CCN1CCCCO 269982a_102516456887_100000210776 [0,1,0,1,0,0|2,0,0]=4 18184 B13R1.2855 COCCCN1CC[C@H]1C(=O)OC 2230a_102516456887_100000740836 [0,1,0,1,0,0|2,0,0]=4 18185 B13R1.2855 COCCCN1CC[C@H]1C(=O)OC 269982a_102516456887_100000740836 [0,1,0,1,0,0|2,0,0]=4 18186 B13R1.89 CCC1CCCCN1C(C)C(=O)C 2230a_100000210034_100009814033 [0,1,0,1,0,0|2,0,0]=4 18187 B13R1.89 CCC1CCCCN1C(C)C(=O)C 269982a_100000210034_100009814033 [0,1,0,1,0,0|2,0,0]=4 18188 B13R1.89 CCC1CCCCN1C(C)C(=O)N 2230a_100000210034_100000702099 [0,1,0,1,0,0|2,0,0]=4 18189 B13R1.89 CCC1CCCCN1C(C)C(=O)N 269982a_100000210034_100000184083 [0,1,0,1,0,0|2,0,0]=4 18190 B13R1.89 CCC1CCCCN1C(C)C(=O)N 34a_100000210034_100000702099 [0,1,0,1,0,0|2,0,0]=4 18191 B13R1.89 CCC1CCCCN1C(F)C(=O)N 2230a_100000210034_100009813875 [0,1,0,1,0,0|2,0,0]=4 18192 B13R1.89 CCC1CCCCN1C(F)C(=O)N 269982a_100000210034_100009813875 [0,1,0,1,0,0|2,0,0]=4 18193 B13R1.89 CCC1CCCCN1C(F)C(=O)N 34a_100000210034_100009813875 [0,1,0,1,0,0|2,0,0]=4 18194 B13R1.89 CCC1CCCCN1C(F)C(=O)[O-] 34a_100000210034_100020610796 [0,1,0,1,0,0|1,0,1]=4 18195 B13R1.169 CC(CN[C@@H]1CCC[C@H]1O)C(=O)O 269956a_100000749485_200016002552 [0,1,0,1,0,0|2,0,0]=4 18196 B13R1.169 O=C(O)C(F)CN[C@@H]1CCC[C@H]1O 269956a_100000084737_200016002552 [0,1,0,1,0,0|2,0,0]=4 18197 B13R1.202 CC(=O)C(C)NC1CCCCC1C 2230a_100000211402_100009814033 [0,1,0,1,0,0|2,0,0]=4 18198 B13R1.202 CC(=O)C(C)OC1CCCCC1C 7a_100000211207_100000179758 [0,1,0,1,0,0|2,0,0]=4 18199 B13R1.202 CC(NC1CCCCC1C)C(=O)N 2230a_100000211402_100000702099 [0,1,0,1,0,0|2,0,0]=4 18200 B13R1.202 CC(NC1CCCCC1C)C(=O)N 34a_100000211402_100000702099 [0,1,0,1,0,0|2,0,0]=4 18201 B13R1.202 CC(OC1CCCCC1C)C(=O)N 34a_100000211207_100000702099 [0,1,0,1,0,0|2,0,0]=4 18202 B13R1.202 CC(OC1CCCCC1C)C(=O)N 7a_100000211207_100000702099 [0,1,0,1,0,0|2,0,0]=4 18203 B13R1.202 CC1CCCCC1NC(F)C(=O)N 2230a_100000211402_100009813875 [0,1,0,1,0,0|2,0,0]=4 18204 B13R1.202 CC1CCCCC1NC(F)C(=O)N 34a_100000211402_100009813875 [0,1,0,1,0,0|2,0,0]=4 18205 B13R1.202 CC1CCCCC1NC(F)C(=O)[O-] 34a_100000211402_100020610796 [0,1,0,1,0,0|1,0,1]=4 18206 B13R1.202 CC1CCCCC1N[C@H](C)C(=O)N 270004a_100000119354_100000210921 [0,1,0,1,0,0|2,0,0]=4 18207 B13R1.202 CC1CCCCC1OC(F)C(=O)N 34a_100000211207_100009813875 [0,1,0,1,0,0|2,0,0]=4 18208 B13R1.202 CC1CCCCC1OC(F)C(=O)N 7a_100000211207_100009813875 [0,1,0,1,0,0|2,0,0]=4 18209 B13R1.202 CC1CCCCC1OC(F)C(=O)[O-] 34a_100000211207_100020610796 [0,1,0,1,0,0|1,0,1]=4 18210 B13R1.202 C[C@H](NC1CCCCC1F)C(=O)O 269956a_100000743915_100015423560 [0,1,0,1,0,0|2,0,0]=4 18211 B13R1.202 C[C@H](NC1CCCCC1O)C(=O)O 269956a_100000743915_100000038908 [0,1,0,1,0,0|2,0,0]=4 18212 B13R1.351 CC(=O)C(C)COC1CCCCC1 34a_100000032740_100000210327 [0,1,0,1,0,0|2,0,0]=4 18213 B13R1.351 CC(=O)C(C)COC1CCCCC1 7a_100000032740_100000210327 [0,1,0,1,0,0|2,0,0]=4 18214 B13R1.351 CC(=O)C(C)NCC1CCCCC1 2230a_100000210473_100009814033 [0,1,0,1,0,0|2,0,0]=4 18215 B13R1.351 CC(=O)C(C)OCC1CCCCC1 34a_100000212229_100000211423 [0,1,0,1,0,0|2,0,0]=4 18216 B13R1.351 CC(=O)C(C)OCC1CCCCC1 7a_100000212181_100000179758 [0,1,0,1,0,0|2,0,0]=4 18217 B13R1.351 CC(=O)C(C)SCC1CCCCC1 62a_100000211423_100009814033 [0,1,0,1,0,0|2,0,0]=4 18218 B13R1.351 CC(=O)C(C)SCC1CCCCC1 62a_100009814033_100000211423 [0,1,0,1,0,0|2,0,0]=4 18219 B13R1.351 CC(CNC1CCCCC1)C(=O)O 269956a_100000749485_100000210327 [0,1,0,1,0,0|1,0,0]=3 18220 B13R1.351 CC(CNC1CCCOC1)C(=O)O 269956a_100000749485_100000693364 [0,1,0,1,0,0|2,0,0]=4 18221 B13R1.351 CC(CNC1CCOCC1)C(=O)O 269956a_100000749485_100011324220 [0,1,0,1,0,0|2,0,0]=4 18222 B13R1.351 CC(CNC1CCSCC1)C(=O)O 269956a_100000749485_100000069128 [0,1,0,1,0,0|2,0,0]=4 18223 B13R1.351 CC(NCC1CCCCC1)C(=O)N 2230a_100000210473_100000702099 [0,1,0,1,0,0|2,0,0]=4 18224 B13R1.351 CC(NCC1CCCCC1)C(=O)N 34a_100000210473_100000702099 [0,1,0,1,0,0|2,0,0]=4 18225 B13R1.351 CC(OCC1CCCCC1)C(=O)N 34a_100000212181_100000702099 [0,1,0,1,0,0|2,0,0]=4 18226 B13R1.351 CC(OCC1CCCCC1)C(=O)N 7a_100000212181_100000702099 [0,1,0,1,0,0|2,0,0]=4 18227 B13R1.351 CC(SCC1CCCCC1)C(=O)N 62a_100000211423_100000702099 [0,1,0,1,0,0|2,0,0]=4 18228 B13R1.351 CC(SCC1CCCCC1)C(=O)N 62a_100000702099_100000211423 [0,1,0,1,0,0|2,0,0]=4 18229 B13R1.351 C[C@@H](NCC1CCCCC1)C(=O)N 2230a_100000119354_100000211423 [0,1,0,1,0,0|2,0,0]=4 18230 B13R1.351 C[C@@H](NCC1CCCCC1)C(=O)N 34a_100000119354_100000211423 [0,1,0,1,0,0|2,0,0]=4 18231 B13R1.351 C[C@@H](OCC1CCCCC1)C(=O)N 34a_100000731257_100000211423 [0,1,0,1,0,0|2,0,0]=4 18232 B13R1.351 C[C@@H](OCC1CCCCC1)C(=O)N 7a_100000731257_100000211423 [0,1,0,1,0,0|2,0,0]=4 18233 B13R1.351 C[C@H](NCC1CCCCC1)C(=O)O 269956a_100000743915_100000211423 [0,1,0,1,0,0|1,0,0]=3 18234 B13R1.351 C[C@H](NCC1CCCCO1)C(=O)O 269956a_100000743915_100000211543 [0,1,0,1,0,0|2,0,0]=4 18235 B13R1.351 C[C@H](NCC1CCCOC1)C(=O)O 269956a_100000743915_100000741521 [0,1,0,1,0,0|2,0,0]=4 18236 B13R1.351 C[C@H](NCC1CCOCC1)C(=O)O 269956a_100000743915_100000754603 [0,1,0,1,0,0|2,0,0]=4 18237 B13R1.351 C[C@H](OCC1CCCCC1)C(=O)[O-] 7a_217856618621_100000211423 [0,1,0,1,0,0|1,0,1]=4 18238 B13R1.351 NC(=O)C(F)NCC1CCCCC1 2230a_100000210473_100009813875 [0,1,0,1,0,0|2,0,0]=4 18239 B13R1.351 NC(=O)C(F)NCC1CCCCC1 34a_100000210473_100009813875 [0,1,0,1,0,0|2,0,0]=4 18240 B13R1.351 NC(=O)C(F)OCC1CCCCC1 34a_100000212181_100009813875 [0,1,0,1,0,0|2,0,0]=4 18241 B13R1.351 NC(=O)C(F)OCC1CCCCC1 7a_100000212181_100009813875 [0,1,0,1,0,0|2,0,0]=4 18242 B13R1.351 NC(=O)C(F)SCC1CCCCC1 62a_100000211423_100009813875 [0,1,0,1,0,0|2,0,0]=4 18243 B13R1.351 NC(=O)C(F)SCC1CCCCC1 62a_100009813875_100000211423 [0,1,0,1,0,0|2,0,0]=4 18244 B13R1.351 NC(=O)[C@@H](N)COC1CCCCC1 34a_100000729942_100000210327 [0,1,0,1,0,0|2,0,0]=4 18245 B13R1.351 O=C(O)C(F)CNC1CCCCC1 269956a_100000084737_100000210327 [0,1,0,1,0,0|1,0,0]=3 18246 B13R1.351 O=C(O)C(F)CNC1CCCOC1 269956a_100000084737_100000693364 [0,1,0,1,0,0|2,0,0]=4 18247 B13R1.351 O=C(O)C(F)CNC1CCOCC1 269956a_100000084737_100011324220 [0,1,0,1,0,0|2,0,0]=4 18248 B13R1.351 O=C(O)C(F)CNC1CCSCC1 269956a_100000084737_100000069128 [0,1,0,1,0,0|2,0,0]=4 18249 B13R1.351 O=C([O-])C(F)NCC1CCCCC1 34a_100000210473_100020610796 [0,1,0,1,0,0|1,0,1]=4 18250 B13R1.351 O=C([O-])C(F)OCC1CCCCC1 34a_100000212181_100020610796 [0,1,0,1,0,0|1,0,1]=4 18251 B13R1.351 O=C([O-])C(F)SCC1CCCCC1 62a_100000211423_100020610796 [0,1,0,1,0,0|1,0,1]=4 18252 B13R1.351 O=C([O-])C(F)SCC1CCCCC1 62a_100020610796_100000211423 [0,1,0,1,0,0|1,0,1]=4 18253 B13R1.1110 CC(=O)C(C)COCC1CCCC1 34a_100000032740_100000740388 [0,1,0,1,0,0|2,0,0]=4 18254 B13R1.1110 CC(=O)C(C)COCC1CCCC1 7a_100000032740_100000740388 [0,1,0,1,0,0|2,0,0]=4 18255 B13R1.1110 CC(=O)C(C)NCCC1CCCC1 2230a_100000739158_100009814033 [0,1,0,1,0,0|2,0,0]=4 18256 B13R1.1110 CC(=O)C(C)OCCC1CCCC1 34a_100000212229_100000760354 [0,1,0,1,0,0|2,0,0]=4 18257 B13R1.1110 CC(=O)C(C)OCCC1CCCC1 7a_100000749090_100000179758 [0,1,0,1,0,0|2,0,0]=4 18258 B13R1.1110 CC(=O)C(C)SCCC1CCCC1 62a_100000760354_100009814033 [0,1,0,1,0,0|2,0,0]=4 18259 B13R1.1110 CC(=O)C(C)SCCC1CCCC1 62a_100009814033_100000760354 [0,1,0,1,0,0|2,0,0]=4 18260 B13R1.1110 CC(=O)N(C)CCCC1CCCC1 11a_100015186261_100015343762 [0,1,0,1,0,0|2,0,0]=4 18261 B13R1.1110 CC(=O)N(C)CCCC1CCCC1 1626a_100015186261_100015343762 [0,1,0,1,0,0|2,0,0]=4 18262 B13R1.1110 CC(=O)N(C)CCCC1CCCC1 240690a_100015186261_100015343762 [0,1,0,1,0,0|2,0,0]=4 18263 B13R1.1110 CC(=O)N(C)CCCC1CCCC1 527a_100015186261_100103153847 [0,1,0,1,0,0|2,0,0]=4 18264 B13R1.1110 CC(CNCC1CCCC1)C(=O)O 269956a_100000749485_100000740388 [0,1,0,1,0,0|1,0,0]=3 18265 B13R1.1110 CC(CNCC1CCCO1)C(=O)O 269956a_100000749485_100000183445 [0,1,0,1,0,0|2,0,0]=4 18266 B13R1.1110 CC(CNCC1CCOC1)C(=O)O 269956a_100000749485_100011261433 [0,1,0,1,0,0|2,0,0]=4 18267 B13R1.1110 CC(NCCC1CCCC1)C(=O)N 2230a_100000739158_100000702099 [0,1,0,1,0,0|2,0,0]=4 18268 B13R1.1110 CC(NCCC1CCCC1)C(=O)N 34a_100000739158_100000702099 [0,1,0,1,0,0|2,0,0]=4 18269 B13R1.1110 CC(OCCC1CCCC1)C(=O)N 34a_100000749090_100000702099 [0,1,0,1,0,0|2,0,0]=4 18270 B13R1.1110 CC(OCCC1CCCC1)C(=O)N 7a_100000749090_100000702099 [0,1,0,1,0,0|2,0,0]=4 18271 B13R1.1110 CC(SCCC1CCCC1)C(=O)N 62a_100000702099_100000760354 [0,1,0,1,0,0|2,0,0]=4 18272 B13R1.1110 CC(SCCC1CCCC1)C(=O)N 62a_100000760354_100000702099 [0,1,0,1,0,0|2,0,0]=4 18273 B13R1.1110 C[C@@H](NCCC1CCCC1)C(=O)N 2230a_100000119354_100000760354 [0,1,0,1,0,0|2,0,0]=4 18274 B13R1.1110 C[C@@H](NCCC1CCCC1)C(=O)N 34a_100000119354_100000760354 [0,1,0,1,0,0|2,0,0]=4 18275 B13R1.1110 C[C@@H](OCCC1CCCC1)C(=O)N 34a_100000731257_100000760354 [0,1,0,1,0,0|2,0,0]=4 18276 B13R1.1110 C[C@@H](OCCC1CCCC1)C(=O)N 7a_100000731257_100000760354 [0,1,0,1,0,0|2,0,0]=4 18277 B13R1.1110 C[C@H](NCCC1CCCC1)C(=O)O 269956a_100000743915_100000760354 [0,1,0,1,0,0|1,0,0]=3 18278 B13R1.1110 C[C@H](NCCN1CCCC1)C(=O)O 269956a_100000743915_100000004467 [0,1,0,1,0,0|2,0,0]=4 18279 B13R1.1110 C[C@H](OCCC1CCCC1)C(=O)[O-] 7a_217856618621_100000760354 [0,1,0,1,0,0|1,0,1]=4 18280 B13R1.1110 NC(=O)C(F)NCCC1CCCC1 2230a_100000739158_100009813875 [0,1,0,1,0,0|2,0,0]=4 18281 B13R1.1110 NC(=O)C(F)NCCC1CCCC1 34a_100000739158_100009813875 [0,1,0,1,0,0|2,0,0]=4 18282 B13R1.1110 NC(=O)C(F)OCCC1CCCC1 34a_100000749090_100009813875 [0,1,0,1,0,0|2,0,0]=4 18283 B13R1.1110 NC(=O)C(F)OCCC1CCCC1 7a_100000749090_100009813875 [0,1,0,1,0,0|2,0,0]=4 18284 B13R1.1110 NC(=O)C(F)SCCC1CCCC1 62a_100000760354_100009813875 [0,1,0,1,0,0|2,0,0]=4 18285 B13R1.1110 NC(=O)C(F)SCCC1CCCC1 62a_100009813875_100000760354 [0,1,0,1,0,0|2,0,0]=4 18286 B13R1.1110 NC(=O)[C@@H](N)COCC1CCCC1 34a_100000729942_100000740388 [0,1,0,1,0,0|2,0,0]=4 18287 B13R1.1110 O=C(O)C(F)CNCC1CCCC1 269956a_100000084737_100000740388 [0,1,0,1,0,0|1,0,0]=3 18288 B13R1.1110 O=C(O)C(F)CNCC1CCCO1 269956a_100000084737_100000183445 [0,1,0,1,0,0|2,0,0]=4 18289 B13R1.1110 O=C(O)C(F)CNCC1CCOC1 269956a_100000084737_100011261433 [0,1,0,1,0,0|2,0,0]=4 18290 B13R1.1110 O=C([O-])C(F)NCCC1CCCC1 34a_100000739158_100020610796 [0,1,0,1,0,0|1,0,1]=4 18291 B13R1.1110 O=C([O-])C(F)OCCC1CCCC1 34a_100000749090_100020610796 [0,1,0,1,0,0|1,0,1]=4 18292 B13R1.1110 O=C([O-])C(F)SCCC1CCCC1 62a_100000760354_100020610796 [0,1,0,1,0,0|1,0,1]=4 18293 B13R1.1110 O=C([O-])C(F)SCCC1CCCC1 62a_100020610796_100000760354 [0,1,0,1,0,0|1,0,1]=4 18294 B13R1.1267 CC1(CCCCN1CCF)C(=O)O 269956a_100000698061_100011217306 [0,1,0,1,0,0|2,0,0]=4 18295 B13R1.1267 CC1(CCCCN1CCO)C(=O)O 269956a_100000698061_100000211926 [0,1,0,1,0,0|2,0,0]=4 18296 B13R1.1267 CCCN1CCCCC1(C)C(=O)O 269956a_100000698061_100000210207 [0,1,0,1,0,0|1,0,0]=3 18297 B13R1.1267 COCN1CCCCC1(C)C(=O)O 269956a_100000698061_100000766300 [0,1,0,1,0,0|2,0,0]=4 18298 B13R1.1267 CSCN1CCCCC1(C)C(=O)O 269956a_100000698061_100011218213 [0,1,0,1,0,0|2,0,0]=4 18299 B13R1.1889 CCCCCCN1CC(C1)C(=O)N 34a_100025753142_100000210314 [0,1,0,1,0,0|2,0,0]=4 18300 B13R1.1889 CCCCCN[C@H]1C[C@H](C1)C(=O)O 269956a_100000738708_100000210326 [0,1,0,1,0,0|1,0,0]=3 18301 B13R1.1889 CCOCCN[C@H]1C[C@H](C1)C(=O)O 269956a_100000738708_100000210147 [0,1,0,1,0,0|2,0,0]=4 18302 B13R1.1889 CCSCCN[C@H]1C[C@H](C1)C(=O)O 269956a_100000738708_100000757381 [0,1,0,1,0,0|2,0,0]=4 18303 B13R1.1889 COCCCN[C@H]1C[C@H](C1)C(=O)O 269956a_100000738708_100000740836 [0,1,0,1,0,0|2,0,0]=4 18304 B13R1.1889 O=C(O)[C@H]1C[C@H](C1)NCCCCF 269956a_100000738708_100000729493 [0,1,0,1,0,0|2,0,0]=4 18305 B13R1.1889 O=C(O)[C@H]1C[C@H](C1)NCCCCO 269956a_100000738708_100000210776 [0,1,0,1,0,0|2,0,0]=4 18306 B13R1.1979 CCCCN1CCC[C@@]1(C)C(=O)O 269956a_100009816582_100000210211 [0,1,0,1,0,0|1,0,0]=3 18307 B13R1.1979 CCOCN1CCC[C@@]1(C)C(=O)O 269956a_100009816582_100000739092 [0,1,0,1,0,0|2,0,0]=4 18308 B13R1.1979 COCCN1CCC[C@@]1(C)C(=O)O 269956a_100009816582_100000233755 [0,1,0,1,0,0|2,0,0]=4 18309 B13R1.1979 CSCCN1CCC[C@@]1(C)C(=O)O 269956a_100009816582_100000212216 [0,1,0,1,0,0|2,0,0]=4 18310 B13R1.1979 C[C@]1(CCCN1CCCF)C(=O)O 269956a_100009816582_100011934791 [0,1,0,1,0,0|2,0,0]=4 18311 B13R1.1979 C[C@]1(CCCN1CCCO)C(=O)O 269956a_100009816582_100011215043 [0,1,0,1,0,0|2,0,0]=4 18312 B13R1.2801 CCC1CCCC1N[C@H](C)C(=O)N 270004a_100000119354_100000749056 [0,1,0,1,0,0|2,0,0]=4 18313 B13R1.2840 CC(CNCCCC1CO1)C(=O)O 269956a_100000749485_100000733510 [0,1,0,1,0,0|2,0,0]=4 18314 B13R1.2840 O=C(O)C(F)CNCCCC1CO1 269956a_100000084737_100000733510 [0,1,0,1,0,0|2,0,0]=4 18315 B13R1.6161 CC(=O)C(C)N1CCCCCCC1 2230a_100000211400_100009814033 [0,1,0,1,0,0|2,0,0]=4 18316 B13R1.6161 CC(=O)C(C)N1CCCCCCC1 269982a_100000211400_100009814033 [0,1,0,1,0,0|2,0,0]=4 18317 B13R1.6161 CC(C(=O)N)N1CCCCCCC1 2230a_100000211400_100000702099 [0,1,0,1,0,0|2,0,0]=4 18318 B13R1.6161 CC(C(=O)N)N1CCCCCCC1 269982a_100000211400_100000184083 [0,1,0,1,0,0|2,0,0]=4 18319 B13R1.6161 CC(C(=O)N)N1CCCCCCC1 34a_100000211400_100000702099 [0,1,0,1,0,0|2,0,0]=4 18320 B13R1.6161 NC(=O)C(F)N1CCCCCCC1 2230a_100000211400_100009813875 [0,1,0,1,0,0|2,0,0]=4 18321 B13R1.6161 NC(=O)C(F)N1CCCCCCC1 269982a_100000211400_100009813875 [0,1,0,1,0,0|2,0,0]=4 18322 B13R1.6161 NC(=O)C(F)N1CCCCCCC1 34a_100000211400_100009813875 [0,1,0,1,0,0|2,0,0]=4 18323 B13R1.6161 O=C([O-])C(F)N1CCCCCCC1 34a_100000211400_100020610796 [0,1,0,1,0,0|1,0,1]=4 18324 B13R1.6192 CC(=O)C(C)NC1CCCCCC1 2230a_100000210984_100009814033 [0,1,0,1,0,0|2,0,0]=4 18325 B13R1.6192 CC(=O)C(C)OC1CCCCCC1 34a_100000212229_100011217769 [0,1,0,1,0,0|2,0,0]=4 18326 B13R1.6192 CC(=O)C(C)OC1CCCCCC1 7a_100000210887_100000179758 [0,1,0,1,0,0|2,0,0]=4 18327 B13R1.6192 CC(=O)C(C)SC1CCCCCC1 62a_100009814033_100011217769 [0,1,0,1,0,0|2,0,0]=4 18328 B13R1.6192 CC(=O)C(C)SC1CCCCCC1 62a_100011217769_100009814033 [0,1,0,1,0,0|2,0,0]=4 18329 B13R1.6192 CC(NC1CCCCCC1)C(=O)N 2230a_100000210984_100000702099 [0,1,0,1,0,0|2,0,0]=4 18330 B13R1.6192 CC(NC1CCCCCC1)C(=O)N 34a_100000210984_100000702099 [0,1,0,1,0,0|2,0,0]=4 18331 B13R1.6192 CC(OC1CCCCCC1)C(=O)N 34a_100000210887_100000702099 [0,1,0,1,0,0|2,0,0]=4 18332 B13R1.6192 CC(OC1CCCCCC1)C(=O)N 7a_100000210887_100000702099 [0,1,0,1,0,0|2,0,0]=4 18333 B13R1.6192 CC(SC1CCCCCC1)C(=O)N 62a_100000702099_100011217769 [0,1,0,1,0,0|2,0,0]=4 18334 B13R1.6192 CC(SC1CCCCCC1)C(=O)N 62a_100011217769_100000702099 [0,1,0,1,0,0|2,0,0]=4 18335 B13R1.6192 C[C@@H](NC1CCCCCC1)C(=O)N 270004a_100000119354_100000210131 [0,1,0,1,0,0|2,0,0]=4 18336 B13R1.6192 C[C@@H](NC1CCCCCC1)C(=O)N 34a_100000119354_100011217769 [0,1,0,1,0,0|2,0,0]=4 18337 B13R1.6192 C[C@@H](OC1CCCCCC1)C(=O)N 34a_100000731257_100011217769 [0,1,0,1,0,0|2,0,0]=4 18338 B13R1.6192 C[C@H](NC1CCCCCC1)C(=O)O 269956a_100000743915_100011217769 [0,1,0,1,0,0|1,0,0]=3 18339 B13R1.6192 NC(=O)C(F)NC1CCCCCC1 2230a_100000210984_100009813875 [0,1,0,1,0,0|2,0,0]=4 18340 B13R1.6192 NC(=O)C(F)NC1CCCCCC1 34a_100000210984_100009813875 [0,1,0,1,0,0|2,0,0]=4 18341 B13R1.6192 NC(=O)C(F)OC1CCCCCC1 34a_100000210887_100009813875 [0,1,0,1,0,0|2,0,0]=4 18342 B13R1.6192 NC(=O)C(F)OC1CCCCCC1 7a_100000210887_100009813875 [0,1,0,1,0,0|2,0,0]=4 18343 B13R1.6192 NC(=O)C(F)SC1CCCCCC1 62a_100009813875_100011217769 [0,1,0,1,0,0|2,0,0]=4 18344 B13R1.6192 NC(=O)C(F)SC1CCCCCC1 62a_100011217769_100009813875 [0,1,0,1,0,0|2,0,0]=4 18345 B13R1.6192 O=C([O-])C(F)NC1CCCCCC1 34a_100000210984_100020610796 [0,1,0,1,0,0|1,0,1]=4 18346 B13R1.6192 O=C([O-])C(F)OC1CCCCCC1 34a_100000210887_100020610796 [0,1,0,1,0,0|1,0,1]=4 18347 B13R1.6192 O=C([O-])C(F)SC1CCCCCC1 62a_100011217769_100020610796 [0,1,0,1,0,0|1,0,1]=4 18348 B13R1.6192 O=C([O-])C(F)SC1CCCCCC1 62a_100020610796_100011217769 [0,1,0,1,0,0|1,0,1]=4 18349 B13R1.45 CC(=O)CCC(C)N1CCCCC1 1458a_100015185227_200000210301 [0,1,0,1,0,0|2,0,0]=4 18350 B13R1.45 CC(=O)CCN(C)C1CCCCC1 269982a_100000207522_100000053229 [0,1,0,1,0,0|2,0,0]=4 18351 B13R1.45 CC(CCC(=O)[13CH3])N1CCCCC1 1458a_100015185227_200025704644 [0,1,0,1,0,0|2,0,0]=4 18352 B13R1.45 CC(OCC(=O)N)C1CCCCC1 34a_100011216961_100000187820 [0,1,0,1,0,0|2,0,0]=4 18353 B13R1.45 CC(OCC(=O)N)C1CCCCC1 7a_100011216961_100000187820 [0,1,0,1,0,0|2,0,0]=4 18354 B13R1.45 CC(OCC(=O)[O-])C1CCCCC1 34a_100011216961_100020667443 [0,1,0,1,0,0|1,0,1]=4 18355 B13R1.45 CN(CCC(=O)N)C1CCCCC1 2230a_100000207522_100000744528 [0,1,0,1,0,0|2,0,0]=4 18356 B13R1.45 CN(CCC(=O)N)C1CCCCC1 269982a_100000207522_100000744528 [0,1,0,1,0,0|2,0,0]=4 18357 B13R1.45 CN(CCC(=O)N)C1CCCCC1 270004a_100000730477_100000210434 [0,1,0,1,0,0|2,0,0]=4 18358 B13R1.45 CN(CCC(=O)N)C1CCCCC1 34a_100000207522_100000731001 [0,1,0,1,0,0|2,0,0]=4 18359 B13R1.45 C[C@@H](NCC(=O)N)C1CCCCC1 2230a_100025707633_100000747473 [0,1,0,1,0,0|2,0,0]=4 18360 B13R1.45 C[C@@H](NCC(=O)N)C1CCCCC1 34a_100025707633_100000187820 [0,1,0,1,0,0|2,0,0]=4 18361 B13R1.45 C[C@@H](NCC(=O)[O-])C1CCCCC1 34a_100025707633_100020667443 [0,1,0,1,0,0|1,0,1]=4 18362 B13R1.45 NC(=O)CCC(=O)C1CCCCC1 1458a_100011215257_100000210327 [0,1,0,1,0,0|1,0,1]=4 18363 B13R1.141 CCCN1CCN(CC1C(=O)O)C 269956a_100020626280_100000210207 [0,1,0,1,0,0|2,0,0]=4 18364 B13R1.141 CCCN1CC[C@H](C[C@@H]1C(=O)O)C 269956a_100009817619_100000210207 [0,1,0,1,0,0|1,0,0]=3 18365 B13R1.141 COCN1CC[C@H](C[C@@H]1C(=O)O)C 269956a_100009817619_100000766300 [0,1,0,1,0,0|2,0,0]=4 18366 B13R1.141 CSCN1CC[C@H](C[C@@H]1C(=O)O)C 269956a_100009817619_100011218213 [0,1,0,1,0,0|2,0,0]=4 18367 B13R1.141 C[C@@H]1CCN([C@H](C1)C(=O)O)CCF 269956a_100009817619_100011217306 [0,1,0,1,0,0|2,0,0]=4 18368 B13R1.141 C[C@@H]1CCN([C@H](C1)C(=O)O)CCO 269956a_100009817619_100000211926 [0,1,0,1,0,0|2,0,0]=4 18369 B13R1.344 CN(CCC(=O)N)CC1CCCC1 2230a_100000730477_100000740388 [0,1,0,1,0,0|2,0,0]=4 18370 B13R1.344 NC(=O)CCC(=O)CC1CCCC1 1458a_100011215257_100000740388 [0,1,0,1,0,0|1,0,1]=4 18371 B13R1.564 CCCCN1C[C@@H](C[C@H]1C(=O)N)O 2230a_100020587027_100000210211 [0,1,0,1,0,0|2,0,0]=4 18372 B13R1.564 CCCCN1C[C@@H](C[C@H]1C(=O)N)O 269982a_100020587027_100000210211 [0,1,0,1,0,0|2,0,0]=4 18373 B13R1.564 CCCCN1C[C@H](C[C@H]1C(=O)N)F 2230a_100020614896_100000210211 [0,1,0,1,0,0|2,0,0]=4 18374 B13R1.564 CCCCN1C[C@H](C[C@H]1C(=O)N)F 269982a_100020614896_100000210211 [0,1,0,1,0,0|2,0,0]=4 18375 B13R1.564 CCCCN1C[C@H](C[C@H]1C(=O)N)F 34a_100020614896_100000210210 [0,1,0,1,0,0|2,0,0]=4 18376 B13R1.564 CCCCN1C[C@H](C[C@H]1C(=O)O)F 269956a_100016993324_100000210211 [0,1,0,1,0,0|1,0,0]=3 18377 B13R1.564 CCCCN1C[C@H](C[C@H]1C(=O)O)O 269956a_100000750407_100000210211 [0,1,0,1,0,0|1,0,0]=3 18378 B13R1.564 CCOCN1C[C@H](C[C@H]1C(=O)O)F 269956a_100016993324_100000739092 [0,1,0,1,0,0|2,0,0]=4 18379 B13R1.564 CCOCN1C[C@H](C[C@H]1C(=O)O)O 269956a_100000750407_100000739092 [0,1,0,1,0,0|2,0,0]=4 18380 B13R1.564 COCCN1C[C@H](C[C@H]1C(=O)O)F 269956a_100016993324_100000233755 [0,1,0,1,0,0|2,0,0]=4 18381 B13R1.564 COCCN1C[C@H](C[C@H]1C(=O)O)O 269956a_100000750407_100000233755 [0,1,0,1,0,0|2,0,0]=4 18382 B13R1.564 CSCCN1C[C@H](C[C@H]1C(=O)O)F 269956a_100016993324_100000212216 [0,1,0,1,0,0|2,0,0]=4 18383 B13R1.564 CSCCN1C[C@H](C[C@H]1C(=O)O)O 269956a_100000750407_100000212216 [0,1,0,1,0,0|2,0,0]=4 18384 B13R1.564 O=C(O)[C@@H]1C[C@@H](CN1CCCF)F 269956a_100016993324_100011934791 [0,1,0,1,0,0|2,0,0]=4 18385 B13R1.564 O=C(O)[C@@H]1C[C@@H](CN1CCCF)O 269956a_100000750407_100011934791 [0,1,0,1,0,0|2,0,0]=4 18386 B13R1.564 O=C(O)[C@@H]1C[C@@H](CN1CCCO)F 269956a_100016993324_100011215043 [0,1,0,1,0,0|2,0,0]=4 18387 B13R1.564 O=C(O)[C@@H]1C[C@@H](CN1CCCO)O 269956a_100000750407_100011215043 [0,1,0,1,0,0|2,0,0]=4 18388 B13R1.2919 CCCCCCC(=O)[C@@H]1CC(=O)N1 1458a_100016090685_100000210757 [0,1,0,1,0,0|1,0,1]=4 18389 B13R1.2919 CCCCCCN(C)C1CC(=O)C1 269982a_106256046315_100009894365 [0,1,0,1,0,0|2,0,0]=4 18390 B13R1.8682 CC1(CCCCCC1)NCC(=O)N 2230a_100000704638_100000747473 [0,1,0,1,0,0|2,0,0]=4 18391 B13R1.8682 CC1(CCCCCC1)NCC(=O)N 34a_100000704638_100000187820 [0,1,0,1,0,0|2,0,0]=4 18392 B13R1.8682 CC1(CCCCCC1)NCC(=O)[O-] 34a_100000704638_100020667443 [0,1,0,1,0,0|1,0,1]=4 18393 B13R1.8682 CC1(CCCCCC1)OCC(=O)N 34a_100000708895_100000187820 [0,1,0,1,0,0|2,0,0]=4 18394 B13R1.8682 CC1(CCCCCC1)OCC(=O)N 7a_100000708895_100000187820 [0,1,0,1,0,0|2,0,0]=4 18395 B13R1.8682 CC1(CCCCCC1)OCC(=O)[O-] 34a_100000708895_100020667443 [0,1,0,1,0,0|1,0,1]=4 18396 B13R1.292 CC(=O)CCCOCC1CC(C1)Cl 34a_100009874164_100000685027 [0,1,0,1,0,0|2,0,0]=4 18397 B13R1.292 CC(C)CCCCSC1CC(=O)C1 62a_100009894365_100011216152 [0,1,0,1,0,0|2,0,0]=4 18398 B13R1.292 CC(C)CCCNCC1CC(=O)C1 2230a_200000737386_100009874392 [0,1,0,1,0,0|2,0,0]=4 18399 B13R1.292 CC(C)CCCOCC1CC(=O)C1 34a_100000101936_100011214892 [0,1,0,1,0,0|2,0,0]=4 18400 B13R1.292 CC(C)CCCOCC1CC(=O)C1 7a_100000210774_100009874392 [0,1,0,1,0,0|2,0,0]=4 18401 B13R1.292 CC(C)CCCSCC1CC(=O)C1 62a_100009874392_100011214892 [0,1,0,1,0,0|2,0,0]=4 18402 B13R1.292 CC(C)CCCSCC1CC(=O)C1 62a_100011214892_100009874392 [0,1,0,1,0,0|2,0,0]=4 18403 B13R1.292 CC(O)CCCOCC1CC(=O)C1 34a_100000101936_200000718107 [0,1,0,1,0,0|2,0,0]=4 18404 B13R1.292 CC(O)CCCSCC1CC(=O)C1 62a_100009874392_200000718107 [0,1,0,1,0,0|2,0,0]=4 18405 B13R1.292 CC(O)CCCSCC1CC(=O)C1 62a_200000718107_100009874392 [0,1,0,1,0,0|2,0,0]=4 18406 B13R1.292 CC1CN(C1)CCCCCC(=O)N 2230a_100000702820_100009817443 [0,1,0,1,0,0|2,0,0]=4 18407 B13R1.292 CC1CN(C1)CCCCCC(=O)N 269982a_100000702820_100009817443 [0,1,0,1,0,0|2,0,0]=4 18408 B13R1.292 CC1CN(C1)CCCCCC(=O)N 34a_100000702820_100009817443 [0,1,0,1,0,0|2,0,0]=4 18409 B13R1.292 NC(=O)CCCCCN1CC(C1)F 2230a_100000690557_100009817443 [0,1,0,1,0,0|2,0,0]=4 18410 B13R1.292 NC(=O)CCCCCN1CC(C1)F 269982a_100000690557_100009817443 [0,1,0,1,0,0|2,0,0]=4 18411 B13R1.292 NC(=O)CCCCCN1CC(C1)F 34a_100000690557_100009817443 [0,1,0,1,0,0|2,0,0]=4 18412 B13R1.292 NC(=O)CCCCCN1CC(C1)O 269982a_100000749847_100009817443 [0,1,0,1,0,0|2,0,0]=4 18413 B13R1.292 NC(=O)CCCOCC1CC(C1)Cl 34a_100009874164_100102525003 [0,1,0,1,0,0|2,0,0]=4 18414 B13R1.589 C=C(C)CN1CCCC[C@@H]1C(=O)O 269956a_100000763471_100000748629 [0,1,0,1,0,0|1,0,1]=4 18415 B13R1.589 CC(C)C1CCCCN1CC(=O)N 2230a_100000757267_100000747473 [0,1,0,1,0,0|2,0,0]=4 18416 B13R1.589 CC(C)C1CCCCN1CC(=O)N 269982a_100000757267_100000187820 [0,1,0,1,0,0|2,0,0]=4 18417 B13R1.589 CC(C)C1CCCCN1CC(=O)N 34a_100000757267_100000187820 [0,1,0,1,0,0|2,0,0]=4 18418 B13R1.589 CC(C)C1CCCCN1CC(=O)[O-] 269982a_100000757267_100020667443 [0,1,0,1,0,0|1,0,1]=4 18419 B13R1.589 CC(C)C1CCCCN1CC(=O)[O-] 34a_100000757267_100020667443 [0,1,0,1,0,0|1,0,1]=4 18420 B13R1.589 CC(C)CN1CCCCC1C(=O)N 2230a_100000181395_100000210760 [0,1,0,1,0,0|2,0,0]=4 18421 B13R1.589 CC(C)CN1CCCCC1C(=O)N 269982a_100000181395_100000210624 [0,1,0,1,0,0|2,0,0]=4 18422 B13R1.589 CC(C)CN1CCCCC1C(=O)N 270004a_100000181395_100000210432 [0,1,0,1,0,0|2,0,0]=4 18423 B13R1.589 CC(C)CN1CCCCC1C(=O)N 34a_100000181395_100000210624 [0,1,0,1,0,0|2,0,0]=4 18424 B13R1.589 CC(C)CN1CCCC[C@@H]1C(=O)O 269956a_100000763471_100000210760 [0,1,0,1,0,0|1,0,0]=3 18425 B13R1.589 CC(C)CN1CCOC[C@@H]1C(=O)O 269956a_100016993156_100000210760 [0,1,0,1,0,0|2,0,0]=4 18426 B13R1.589 CC(C)CN1CCSCC1C(=O)O 269956a_100011346106_100000210760 [0,1,0,1,0,0|2,0,0]=4 18427 B13R1.589 CC(C)CN1CSCCC1C(=O)O 269956a_100015185162_100000210760 [0,1,0,1,0,0|2,0,0]=4 18428 B13R1.589 CC(C)N1CCCCC1CC(=O)N 2230a_100015184752_100000210206 [0,1,0,1,0,0|2,0,0]=4 18429 B13R1.589 CC(C)N1CCCCC1CC(=O)N 269982a_100015184752_100000210206 [0,1,0,1,0,0|2,0,0]=4 18430 B13R1.589 CC(C)N1CCCCC1CC(=O)N 34a_100015184752_100000210206 [0,1,0,1,0,0|2,0,0]=4 18431 B13R1.589 CC(C)N[C@@H]1CCCC[C@H]1C(=O)O 269956a_100009816435_100000210206 [0,1,0,1,0,0|1,0,0]=3 18432 B13R1.589 CC(O)CN1CCCCC1C(=O)N 2230a_100000181395_100011218427 [0,1,0,1,0,0|2,0,0]=4 18433 B13R1.589 CC(O)CN1CCCCC1C(=O)N 269982a_100000181395_100011218427 [0,1,0,1,0,0|2,0,0]=4 18434 B13R1.589 CC(O)CN1CCCCC1C(=O)N 34a_100000181395_100011218427 [0,1,0,1,0,0|2,0,0]=4 18435 B13R1.589 CC(O)CN1CCCC[C@@H]1C(=O)O 269956a_100000763471_100011218427 [0,1,0,1,0,0|1,0,0]=3 18436 B13R1.589 CC(O)CN1CCOC[C@@H]1C(=O)O 269956a_100016993156_100011218427 [0,1,0,1,0,0|2,0,0]=4 18437 B13R1.589 CC(O)CN1CCSCC1C(=O)O 269956a_100011346106_100011218427 [0,1,0,1,0,0|2,0,0]=4 18438 B13R1.589 CC(O)CN1CSCCC1C(=O)O 269956a_100015185162_100011218427 [0,1,0,1,0,0|2,0,0]=4 18439 B13R1.589 C[C@@H](O)CN1CCCCC1C(=O)N 2230a_100000181395_100009817552 [0,1,0,1,0,0|2,0,0]=4 18440 B13R1.589 C[C@@H](O)CN1CCCCC1C(=O)N 269982a_100000181395_100009817552 [0,1,0,1,0,0|2,0,0]=4 18441 B13R1.589 C[C@@H](O)CN1CCCCC1C(=O)N 34a_100000181395_100009817552 [0,1,0,1,0,0|2,0,0]=4 18442 B13R1.589 C[C@@H](O)CN1CCCC[C@@H]1C(=O)O 269956a_100000763471_100009817552 [0,1,0,1,0,0|1,0,0]=3 18443 B13R1.589 C[C@@H](O)CN1CCOC[C@@H]1C(=O)O 269956a_100016993156_100009817552 [0,1,0,1,0,0|2,0,0]=4 18444 B13R1.589 C[C@@H](O)CN1CCSCC1C(=O)O 269956a_100011346106_100009817552 [0,1,0,1,0,0|2,0,0]=4 18445 B13R1.589 C[C@@H](O)CN1CSCCC1C(=O)O 269956a_100015185162_100009817552 [0,1,0,1,0,0|2,0,0]=4 18446 B13R1.589 O=C(O)[C@H]1CCCCN1CC(F)F 269956a_100000763471_100011934356 [0,1,0,1,0,0|2,0,0]=4 18447 B13R1.591 CC(C)CC1CCCN1CC(=O)N 2230a_100000748429_100000747473 [0,1,0,1,0,0|2,0,0]=4 18448 B13R1.591 CC(C)CC1CCCN1CC(=O)N 269982a_100000748429_100000187820 [0,1,0,1,0,0|2,0,0]=4 18449 B13R1.591 CC(C)CC1CCCN1CC(=O)N 34a_100000748429_100000187820 [0,1,0,1,0,0|2,0,0]=4 18450 B13R1.591 CC(C)CC1CCCN1CC(=O)[O-] 269982a_100000748429_100020667443 [0,1,0,1,0,0|1,0,1]=4 18451 B13R1.591 CC(C)CC1CCCN1CC(=O)[O-] 34a_100000748429_100020667443 [0,1,0,1,0,0|1,0,1]=4 18452 B13R1.1013 CC(=O)CCCN1CCCC1(C)C 269982a_100000761399_100011215641 [0,1,0,1,0,0|2,0,0]=4 18453 B13R1.1013 CC(=O)CCCN1CCCC1(C)C 34a_100000761399_100000685027 [0,1,0,1,0,0|2,0,0]=4 18454 B13R1.1013 CC(=O)CCOC1CCCC1(C)C 7a_100000726220_100000053229 [0,1,0,1,0,0|2,0,0]=4 18455 B13R1.1013 CC1(CCCC1NCCC(=O)N)C 269862a_100000740010_100000065263 [0,1,0,1,0,0|2,0,0]=4 18456 B13R1.1013 CC1(CCCC1OCCC(=O)N)C 34a_100000726220_100000731001 [0,1,0,1,0,0|2,0,0]=4 18457 B13R1.1013 CC1(CCCC1OCCC(=O)N)C 7a_100000726220_100000744528 [0,1,0,1,0,0|2,0,0]=4 18458 B13R1.1013 CC1(CCCN1CCCC(=O)N)C 269982a_100000761399_100102525003 [0,1,0,1,0,0|2,0,0]=4 18459 B13R1.1013 CC1(CCCN1CCCC(=O)N)C 34a_100000761399_100102525003 [0,1,0,1,0,0|2,0,0]=4 18460 B13R1.1013 C[C@]1(CCC[C@H]1NCCC(=O)N)O 2230a_100015977457_100000744528 [0,1,0,1,0,0|2,0,0]=4 18461 B13R1.1013 C[C@]1(CCC[C@H]1NCCC(=O)N)O 34a_100015977457_100000731001 [0,1,0,1,0,0|2,0,0]=4 18462 B13R1.1045 CC(=O)CCCOCC1CC1(C)C 34a_100000728257_100000685027 [0,1,0,1,0,0|2,0,0]=4 18463 B13R1.1045 CC(=O)CCCOCC1CC1(C)C 7a_100000728257_100011215641 [0,1,0,1,0,0|2,0,0]=4 18464 B13R1.1045 CC1(CC1COCCCC(=O)N)C 34a_100000728257_100102525003 [0,1,0,1,0,0|2,0,0]=4 18465 B13R1.1045 CC1(CC1COCCCC(=O)N)C 7a_100000728257_100102525003 [0,1,0,1,0,0|2,0,0]=4 18466 B13R1.1065 CC(=O)CCCN1CCC1C(=O)O 269956a_100000021838_100011215641 [0,1,0,1,0,0|1,0,1]=4 18467 B13R1.1065 CC(C)CCCN1CCC1C(=O)O 269956a_100000021838_100011214892 [0,1,0,1,0,0|1,0,0]=3 18468 B13R1.1065 CC(C)OCCN1CCC1C(=O)O 269956a_100000021838_100000211751 [0,1,0,1,0,0|2,0,0]=4 18469 B13R1.1065 CC(C)SCCN1CCC1C(=O)O 269956a_100000021838_100000730970 [0,1,0,1,0,0|2,0,0]=4 18470 B13R1.1065 CC(O)CCCN1CCC1C(=O)O 269956a_100000021838_200000718107 [0,1,0,1,0,0|1,0,0]=3 18471 B13R1.1065 CN(C)CCCN1CCC1C(=O)O 269956a_100000021838_100000757444 [0,1,0,1,0,0|2,0,0]=4 18472 B13R1.1082 CC(=O)N1CCCCCC1C(C)C 11a_100000697956_100015343762 [0,1,0,1,0,0|2,0,0]=4 18473 B13R1.1082 CC(=O)N1CCCCCC1C(C)C 1626a_100000697956_100015343762 [0,1,0,1,0,0|2,0,0]=4 18474 B13R1.1082 CC(=O)N1CCCCCC1C(C)C 240690a_100000697956_100015343762 [0,1,0,1,0,0|2,0,0]=4 18475 B13R1.1082 CC(C)N1CCCCCC1C(=O)O 269956a_100000758484_100000210206 [0,1,0,1,0,0|1,0,0]=3 18476 B13R1.3575 O=C(O)CNC1CCCCC1(F)F 269956a_100016091260_200009832135 [0,1,0,1,0,0|2,0,0]=4 18477 B13R1.3576 C=C(C)CCN1CCC[C@H]1C(=O)O 269956a_100000743916_100000730704 [0,1,0,1,0,0|1,0,1]=4 18478 B13R1.3576 CC(=O)CCN1CCCC1C(C)C 269982a_100000762757_100000053229 [0,1,0,1,0,0|2,0,0]=4 18479 B13R1.3576 CC(=O)CCN1CCC[C@H]1C(=O)O 269956a_100000743916_100000053229 [0,1,0,1,0,0|1,0,1]=4 18480 B13R1.3576 CC(C)C1CCCN1CCC(=O)N 2230a_100000762757_100000744528 [0,1,0,1,0,0|2,0,0]=4 18481 B13R1.3576 CC(C)C1CCCN1CCC(=O)N 269982a_100000762757_100000744528 [0,1,0,1,0,0|2,0,0]=4 18482 B13R1.3576 CC(C)C1CCCN1CCC(=O)N 34a_100000762757_100000731001 [0,1,0,1,0,0|2,0,0]=4 18483 B13R1.3576 CC(C)CCN1CCC[C@H]1C(=O)N 2230a_100000003125_100000210312 [0,1,0,1,0,0|2,0,0]=4 18484 B13R1.3576 CC(C)CCN1CCC[C@H]1C(=O)O 269956a_100000743916_100000210312 [0,1,0,1,0,0|1,0,0]=3 18485 B13R1.3576 CC(C)CCN1CCSC1C(=O)O 269956a_100000035718_100000210312 [0,1,0,1,0,0|2,0,0]=4 18486 B13R1.3576 CC(C)CCN1CSC[C@H]1C(=O)O 269956a_100000743924_100000210312 [0,1,0,1,0,0|2,0,0]=4 18487 B13R1.3576 CC(C)OCN1CCC[C@H]1C(=O)O 269956a_100000743916_100000709892 [0,1,0,1,0,0|2,0,0]=4 18488 B13R1.3576 CC(O)CCN1CCC[C@H]1C(=O)N 2230a_100000003125_100012276601 [0,1,0,1,0,0|2,0,0]=4 18489 B13R1.3576 CC(O)CCN1CCC[C@H]1C(=O)O 269956a_100000743916_100012276601 [0,1,0,1,0,0|1,0,0]=3 18490 B13R1.3576 CC(O)CCN1CCSC1C(=O)O 269956a_100000035718_100012276601 [0,1,0,1,0,0|2,0,0]=4 18491 B13R1.3576 CC(O)CCN1CSC[C@H]1C(=O)O 269956a_100000743924_100012276601 [0,1,0,1,0,0|2,0,0]=4 18492 B13R1.3576 CN(C)CCN1CCC[C@H]1C(=O)O 269956a_100000743916_100000755713 [0,1,0,1,0,0|2,0,0]=4 18493 B13R1.20 CCCC(C)OC1CCCC(=O)C1 34a_100012613340_100000766640 [0,1,0,1,0,0|2,0,0]=4 18494 B13R1.41 CCCC(C)COC1CCC(=O)C1 34a_100012614533_100011216630 [0,1,0,1,0,0|2,0,0]=4 18495 B13R1.41 CCCC(C)COC1COC(=O)O1 34a_100000688023_100000032252 [0,1,0,1,0,0|2,0,0]=4 18496 B13R1.41 CCCC(C)CSC1COC(=O)O1 62a_100011216630_100000032252 [0,1,0,1,0,0|2,0,0]=4 18497 B13R1.41 CCCC(C)NCC1CNC(=O)O1 2230a_100000741246_100000181169 [0,1,0,1,0,0|2,0,0]=4 18498 B13R1.41 CCCC(C)NC[C@@H]1CCC(=O)N1 2230a_100000741246_100015189358 [0,1,0,1,0,0|2,0,0]=4 18499 B13R1.41 CCCC(C)NC[C@H]1CCC(=O)N1 2230a_100015423886_100000766640 [0,1,0,1,0,0|2,0,0]=4 18500 B13R1.41 CCCC(C)NC[C@H]1CCC(=O)N1 270004a_100015423886_100000211909 [0,1,0,1,0,0|2,0,0]=4 18501 B13R1.41 CCCC(C)NC[C@H]1CCC(=O)N1 34a_100015423886_100000766640 [0,1,0,1,0,0|2,0,0]=4 18502 B13R1.41 CCCC(C)OCC1CCC(=O)N1 34a_100000737831_100000766640 [0,1,0,1,0,0|2,0,0]=4 18503 B13R1.41 CCCC(C)OCC1CNC(=O)O1 34a_100000764384_100000181169 [0,1,0,1,0,0|2,0,0]=4 18504 B13R1.41 CCCC(C)OCC1CNC(=O)O1 34a_100011315639_100000766640 [0,1,0,1,0,0|2,0,0]=4 18505 B13R1.41 CCCC(C)OCC1CNC(=O)O1 7a_100000764384_100000181169 [0,1,0,1,0,0|2,0,0]=4 18506 B13R1.41 CCCC(C)OCC1COC(=O)O1 34a_100000764384_100000073702 [0,1,0,1,0,0|2,0,0]=4 18507 B13R1.41 CCCC(C)OC[C@@H]1CCC(=O)N1 7a_100000764384_100015189358 [0,1,0,1,0,0|2,0,0]=4 18508 B13R1.41 CCCC(C)SCC1CNC(=O)O1 62a_100000181169_100000766640 [0,1,0,1,0,0|2,0,0]=4 18509 B13R1.41 CCCC(C)SCC1CNC(=O)O1 62a_100000766640_100000181169 [0,1,0,1,0,0|2,0,0]=4 18510 B13R1.41 CCCC(C)SCC1COC(=O)O1 62a_100000073702_100000766640 [0,1,0,1,0,0|2,0,0]=4 18511 B13R1.41 CCCC(C)SCC1COC(=O)O1 62a_100000766640_100000073702 [0,1,0,1,0,0|2,0,0]=4 18512 B13R1.41 CCCC(C)SC[C@@H]1CCC(=O)N1 62a_100000766640_100015189358 [0,1,0,1,0,0|2,0,0]=4 18513 B13R1.41 CCCC(C)SC[C@@H]1CCC(=O)N1 62a_100015189358_100000766640 [0,1,0,1,0,0|2,0,0]=4 18514 B13R1.41 CCC[C@H](N)COC1COC(=O)O1 34a_100000732646_100000032252 [0,1,0,1,0,0|2,0,0]=4 18515 B13R1.164 CC1CCC(C(C1)C)OCC(=O)N 34a_100011539931_100000187820 [0,1,0,1,0,0|2,0,0]=4 18516 B13R1.164 CC1CCC(C(C1)C)OCC(=O)N 7a_100011539931_100000187820 [0,1,0,1,0,0|2,0,0]=4 18517 B13R1.164 CC1CCC(C(C1)C)OCC(=O)[O-] 34a_100011539931_100020667443 [0,1,0,1,0,0|1,0,1]=4 18518 B13R1.462 CCCC(C)COCC1CC(=O)C1 34a_100000101936_100011216630 [0,1,0,1,0,0|2,0,0]=4 18519 B13R1.462 CCCC(C)COCC1CC(=O)C1 7a_100000688023_100009874392 [0,1,0,1,0,0|2,0,0]=4 18520 B13R1.462 CCCC(C)CSCC1CC(=O)C1 62a_100009874392_100011216630 [0,1,0,1,0,0|2,0,0]=4 18521 B13R1.462 CCCC(C)CSCC1CC(=O)C1 62a_100011216630_100009874392 [0,1,0,1,0,0|2,0,0]=4 18522 B13R1.467 CC(CCO)N1CCC[C@H]1C(=O)O 269956a_100000743916_100009893172 [0,1,0,1,0,0|2,0,0]=4 18523 B13R1.467 CCCC(C)N1CCC[C@H]1C(=O)N 2230a_100000003125_100000766640 [0,1,0,1,0,0|2,0,0]=4 18524 B13R1.467 CCCC(C)N1CCC[C@H]1C(=O)N 270004a_100000003125_100000211909 [0,1,0,1,0,0|2,0,0]=4 18525 B13R1.467 CCCC(C)N1CCC[C@H]1C(=O)O 269956a_100000743916_100000766640 [0,1,0,1,0,0|1,0,0]=3 18526 B13R1.467 CCCC(C)N1CCSC1C(=O)O 269956a_100000035718_100000766640 [0,1,0,1,0,0|2,0,0]=4 18527 B13R1.467 CCCC(C)N1CSC[C@H]1C(=O)O 269956a_100000743924_100000766640 [0,1,0,1,0,0|2,0,0]=4 18528 B13R1.467 COCC(C)N1CCC[C@H]1C(=O)O 269956a_100000743916_100000765312 [0,1,0,1,0,0|2,0,0]=4 18529 B13R1.1080 CC(=O)CCCCNC(C)C1CC1 34a_100000700016_100009817362 [0,1,0,1,0,0|2,0,0]=4 18530 B13R1.1080 CC(=O)CCCCOC(C)C1CC1 34a_100000744524_100009817362 [0,1,0,1,0,0|2,0,0]=4 18531 B13R1.1080 CC(=O)CCCCOC(C)C1CC1 7a_100000744524_100000735457 [0,1,0,1,0,0|2,0,0]=4 18532 B13R1.1080 CC(=O)CCCNCC(O)C1CC1 34a_100000751198_100000685027 [0,1,0,1,0,0|2,0,0]=4 18533 B13R1.1080 CC(=O)CCCOC[C@H](N)C1CC1 34a_100020623730_100000685027 [0,1,0,1,0,0|2,0,0]=4 18534 B13R1.1080 CC(NCCCCC(=O)N)C1CC1 269862a_100000696515_100000210639 [0,1,0,1,0,0|2,0,0]=4 18535 B13R1.1080 CN(CCCCCC(=O)N)C1CC1 2230a_100000226674_100009817443 [0,1,0,1,0,0|2,0,0]=4 18536 B13R1.1080 CN(CCCCCC(=O)N)C1CC1 269982a_100000226674_100009817443 [0,1,0,1,0,0|2,0,0]=4 18537 B13R1.1080 NC(=O)CCCCCC(=O)C1CC1 1458a_100000210395_100009817443 [0,1,0,1,0,0|1,0,1]=4 18538 B13R1.1080 NC(=O)CCCNCC(O)C1CC1 34a_100000751198_100102525003 [0,1,0,1,0,0|2,0,0]=4 18539 B13R1.1080 NC(=O)CCCOC[C@H](N)C1CC1 34a_100020623730_100102525003 [0,1,0,1,0,0|2,0,0]=4 18540 B13R1.1474 CCCC(=O)CN1CCC1C(=O)O 269956a_100000021838_100000747444 [0,1,0,1,0,0|1,0,1]=4 18541 B13R1.1474 CCCC(C)CN1CCC1C(=O)O 269956a_100000021838_100011216630 [0,1,0,1,0,0|1,0,0]=3 18542 B13R1.1474 COCC(O)CN1CCC1C(=O)O 269956a_100000021838_100011215053 [0,1,0,1,0,0|2,0,0]=4 18543 B13R1.8670 CC(=O)CCCCNC1(CCC1)C 34a_100000692455_100009817362 [0,1,0,1,0,0|2,0,0]=4 18544 B13R1.8670 CC(=O)CCCCOC1(CCC1)C 34a_100000759064_100009817362 [0,1,0,1,0,0|2,0,0]=4 18545 B13R1.8670 CC(=O)CCCCOC1(CCC1)C 7a_100000759064_100000735457 [0,1,0,1,0,0|2,0,0]=4 18546 B13R1.8670 CC(=O)CCCOCC1(CCC1)C 34a_100000759063_100000726658 [0,1,0,1,0,0|2,0,0]=4 18547 B13R1.8670 CC(=O)CCCOCC1(CCC1)C 7a_100000759063_100000726658 [0,1,0,1,0,0|2,0,0]=4 18548 B13R1.8670 CC(=O)CCCSCC1(CCC1)C 62a_100000726658_100011215641 [0,1,0,1,0,0|2,0,0]=4 18549 B13R1.8670 CC(=O)CCCSCC1(CCC1)C 62a_100011215641_100000726658 [0,1,0,1,0,0|2,0,0]=4 18550 B13R1.8670 CC1(CCC1)CNCCCC(=O)N 34a_100000739312_100000726658 [0,1,0,1,0,0|2,0,0]=4 18551 B13R1.8670 CC1(CCC1)CSCCCC(=O)N 62a_100000726658_100102525003 [0,1,0,1,0,0|2,0,0]=4 18552 B13R1.8670 CC1(CCC1)CSCCCC(=O)N 62a_100102525003_100000726658 [0,1,0,1,0,0|2,0,0]=4 18553 B13R2.142 O=C1CCC(C1)OC2CCCC2 34a_100012614533_100000179811 [0,0,0,2,0,0|2,0,0]=4 18554 B13R2.142 O=C1CC[C@H](N1)CN2CCCC2 2230a_100000188435_100015189358 [0,0,0,2,0,0|2,0,0]=4 18555 B13R2.142 O=C1CC[C@H](N1)CN2CCCC2 269982a_100000188435_100015189358 [0,0,0,2,0,0|2,0,0]=4 18556 B13R2.142 O=C1NCC(O1)CN2CCCC2 2230a_100000188435_100000181169 [0,0,0,2,0,0|2,0,0]=4 18557 B13R2.142 O=C1NCC(O1)CN2CCCC2 269982a_100000188435_100000181169 [0,0,0,2,0,0|2,0,0]=4 18558 B13R2.142 O=C1OCC(O1)CN2CCCC2 269982a_100000188435_100000073702 [0,0,0,2,0,0|2,0,0]=4 18559 B13R2.142 O=C1OCC(O1)NC2CCCC2 34a_100000211070_100000032252 [0,0,0,2,0,0|2,0,0]=4 18560 B13R2.142 O=C1OCC(O1)OC2CCCC2 34a_100000210269_100000032252 [0,0,0,2,0,0|2,0,0]=4 18561 B13R2.142 O=C1OCC(O1)SC2CCCC2 62a_100011217020_100000032252 [0,0,0,2,0,0|2,0,0]=4 18562 B13R2.143 CC1CC1COC2COC(=O)O2 34a_100000744939_100000032252 [0,0,0,2,0,0|2,0,0]=4 18563 B13R2.144 C[C@@H]1CCCN1C2COC(=O)O2 34a_100015189458_100000032252 [0,0,0,2,0,0|2,0,0]=4 18564 B13R2.145 CC1CCN1CC2CNC(=O)O2 269982a_100000755817_100000181169 [0,0,0,2,0,0|2,0,0]=4 18565 B13R2.145 CC1CCN1CC2CNC(=O)O2 34a_100000755817_100000181169 [0,0,0,2,0,0|2,0,0]=4 18566 B13R2.145 CC1CCN1CC2COC(=O)O2 269982a_100000755817_100000073702 [0,0,0,2,0,0|2,0,0]=4 18567 B13R2.145 CC1CCN1CC2COC(=O)O2 34a_100000755817_100000073702 [0,0,0,2,0,0|2,0,0]=4 18568 B13R2.145 CC1CCN1C[C@@H]2CCC(=O)N2 269982a_100000755817_100015189358 [0,0,0,2,0,0|2,0,0]=4 18569 B13R2.2973 O=C1CCC(C1)OCCC2CC2 34a_100012614533_100000694398 [0,0,0,2,0,0|2,0,0]=4 18570 B13R2.2973 O=C1CCC(N1)COCC2CC2 34a_100000737831_100000742324 [0,0,0,2,0,0|2,0,0]=4 18571 B13R2.2973 O=C1CC[C@@H](N1)CNCC2CC2 2230a_100015423886_100000742324 [0,0,0,2,0,0|2,0,0]=4 18572 B13R2.2973 O=C1CC[C@@H](N1)CNCC2CC2 269862a_100015423886_100000741477 [0,0,0,2,0,0|2,0,0]=4 18573 B13R2.2973 O=C1CC[C@@H](N1)CNCC2CC2 34a_100015423886_100000742324 [0,0,0,2,0,0|2,0,0]=4 18574 B13R2.2973 O=C1CC[C@H](N1)CNCC2CC2 2230a_100000735609_100015189358 [0,0,0,2,0,0|2,0,0]=4 18575 B13R2.2973 O=C1CC[C@H](N1)CSCC2CC2 62a_100000756562_100015189358 [0,0,0,2,0,0|2,0,0]=4 18576 B13R2.2973 O=C1CC[C@H](N1)CSCC2CC2 62a_100015189358_100000742324 [0,0,0,2,0,0|2,0,0]=4 18577 B13R2.2973 O=C1NCC(O1)CNCC2CC2 2230a_100000735609_100000181169 [0,0,0,2,0,0|2,0,0]=4 18578 B13R2.2973 O=C1NCC(O1)CNCC2CC2 34a_100000735609_100000181169 [0,0,0,2,0,0|2,0,0]=4 18579 B13R2.2973 O=C1NCC(O1)COCC2CC2 34a_100000211283_100000181169 [0,0,0,2,0,0|2,0,0]=4 18580 B13R2.2973 O=C1NCC(O1)COCC2CC2 34a_100011315639_100000742324 [0,0,0,2,0,0|2,0,0]=4 18581 B13R2.2973 O=C1NCC(O1)CSCC2CC2 62a_100000181169_100000742324 [0,0,0,2,0,0|2,0,0]=4 18582 B13R2.2973 O=C1NCC(O1)CSCC2CC2 62a_100000756562_100000181169 [0,0,0,2,0,0|2,0,0]=4 18583 B13R2.2973 O=C1OCC(O1)CNCC2CC2 34a_100000735609_100000073702 [0,0,0,2,0,0|2,0,0]=4 18584 B13R2.2973 O=C1OCC(O1)COCC2CC2 34a_100000211283_100000073702 [0,0,0,2,0,0|2,0,0]=4 18585 B13R2.2973 O=C1OCC(O1)CSCC2CC2 62a_100000073702_100000742324 [0,0,0,2,0,0|2,0,0]=4 18586 B13R2.2973 O=C1OCC(O1)CSCC2CC2 62a_100000756562_100000073702 [0,0,0,2,0,0|2,0,0]=4 18587 B13R2.2973 O=C1OCC(O1)NCCC2CC2 34a_100000764129_100000032252 [0,0,0,2,0,0|2,0,0]=4 18588 B13R2.2973 O=C1OCC(O1)OCCC2CC2 34a_100000754188_100000032252 [0,0,0,2,0,0|2,0,0]=4 18589 B13R2.2973 O=C1OCC(O1)SCCC2CC2 62a_100000764125_100000032252 [0,0,0,2,0,0|2,0,0]=4 18590 B13R2.2974 O=C1CCC(C1)OCC2CCC2 34a_100012614533_100000763275 [0,0,0,2,0,0|2,0,0]=4 18591 B13R2.2974 O=C1CCC(N1)COC2CCC2 34a_100000737831_100000749161 [0,0,0,2,0,0|2,0,0]=4 18592 B13R2.2974 O=C1CC[C@@H](N1)CNC2CCC2 270004a_100015423886_100000241760 [0,0,0,2,0,0|2,0,0]=4 18593 B13R2.2974 O=C1CC[C@@H](N1)CNC2CCC2 34a_100015423886_100000749161 [0,0,0,2,0,0|2,0,0]=4 18594 B13R2.2974 O=C1CC[C@H](N1)CNC2CCC2 2230a_100000749019_100015189358 [0,0,0,2,0,0|2,0,0]=4 18595 B13R2.2974 O=C1CC[C@H](N1)CSC2CCC2 62a_100015189358_100000749161 [0,0,0,2,0,0|2,0,0]=4 18596 B13R2.2974 O=C1NCC(O1)CNC2CCC2 2230a_100000749019_100000181169 [0,0,0,2,0,0|2,0,0]=4 18597 B13R2.2974 O=C1NCC(O1)CNC2CCC2 34a_100000749019_100000181169 [0,0,0,2,0,0|2,0,0]=4 18598 B13R2.2974 O=C1NCC(O1)COC2CCC2 34a_100000748187_100000181169 [0,0,0,2,0,0|2,0,0]=4 18599 B13R2.2974 O=C1NCC(O1)COC2CCC2 34a_100011315639_100000749161 [0,0,0,2,0,0|2,0,0]=4 18600 B13R2.2974 O=C1NCC(O1)CSC2CCC2 62a_100000181169_100000749161 [0,0,0,2,0,0|2,0,0]=4 18601 B13R2.2974 O=C1OCC(O1)CNC2CCC2 34a_100000749019_100000073702 [0,0,0,2,0,0|2,0,0]=4 18602 B13R2.2974 O=C1OCC(O1)COC2CCC2 34a_100000748187_100000073702 [0,0,0,2,0,0|2,0,0]=4 18603 B13R2.2974 O=C1OCC(O1)CSC2CCC2 62a_100000073702_100000749161 [0,0,0,2,0,0|2,0,0]=4 18604 B13R2.2974 O=C1OCC(O1)NCC2CCC2 34a_100000738700_100000032252 [0,0,0,2,0,0|2,0,0]=4 18605 B13R2.2974 O=C1OCC(O1)OCC2CCC2 34a_100000760304_100000032252 [0,0,0,2,0,0|2,0,0]=4 18606 B13R2.2974 O=C1OCC(O1)SCC2CCC2 62a_100000763275_100000032252 [0,0,0,2,0,0|2,0,0]=4 18607 B13R2.3021 O=C1CCCC(C1)OC2CCC2 34a_100012613340_100000749161 [0,0,0,2,0,0|2,0,0]=4 18608 B13R2.5331 O=C1CCCC(C1)OCC2CC2 34a_100012613340_100000742324 [0,0,0,2,0,0|2,0,0]=4 18609 B13R2.5331 O=C1CCCC(N1)COC2CC2 34a_200000102386_100000211595 [0,0,0,2,0,0|2,0,0]=4 18610 B13R2.31 O=C1CC(C1)SC2CCCCC2 62a_100009894365_100000210327 [0,0,0,2,0,0|2,0,0]=4 18611 B13R2.216 CC1CCCCN1C2CC(=O)C2 269982a_100000211376_100009894365 [0,0,0,2,0,0|2,0,0]=4 18612 B13R2.241 O=C1CC(C1)CNC2CCCC2 2230a_100000211070_100009874392 [0,0,0,2,0,0|2,0,0]=4 18613 B13R2.241 O=C1CC(C1)COC2CCCC2 34a_100000101936_100000179811 [0,0,0,2,0,0|2,0,0]=4 18614 B13R2.241 O=C1CC(C1)COC2CCCC2 7a_100000210269_100009874392 [0,0,0,2,0,0|2,0,0]=4 18615 B13R2.241 O=C1CC(C1)CSC2CCCC2 62a_100009874392_100000179811 [0,0,0,2,0,0|2,0,0]=4 18616 B13R2.241 O=C1CC(C1)CSC2CCCC2 62a_100011217020_100009874392 [0,0,0,2,0,0|2,0,0]=4 18617 B13R2.241 O=C1CC(C1)SCC2CCCC2 62a_100009894365_100000740388 [0,0,0,2,0,0|2,0,0]=4 18618 B13R2.361 C[C@@H]1CCCN1CC2CC(=O)C2 2230a_100015189458_100009874392 [0,0,0,2,0,0|2,0,0]=4 18619 B13R2.361 C[C@@H]1CCCN1CC2CC(=O)C2 269982a_100015189458_100009874392 [0,0,0,2,0,0|2,0,0]=4 18620 B13R2.361 C[C@H]1CCCN1CC2CC(=O)C2 2230a_100020605311_100009874392 [0,0,0,2,0,0|2,0,0]=4 18621 B13R2.361 C[C@H]1CCCN1CC2CC(=O)C2 269982a_100020605311_100009874392 [0,0,0,2,0,0|2,0,0]=4 18622 B13R2.399 CC1CC1COCC2CC(=O)C2 7a_100000744939_100009874392 [0,0,0,2,0,0|2,0,0]=4 18623 B13R2.2357 CCC1CCCN1C2CC(=O)C2 269982a_100000754278_100009894365 [0,0,0,2,0,0|2,0,0]=4 18624 B13R2.5283 O=C1CC(C1)N2CCCCCC2 269982a_100000185865_100009894365 [0,0,0,2,0,0|2,0,0]=4 18625 B13R2.5292 O=C1CC(C1)COCCC2CC2 34a_100000101936_100000694398 [0,0,0,2,0,0|2,0,0]=4 18626 B13R2.5292 O=C1CC(C1)COCCC2CC2 7a_100000754188_100009874392 [0,0,0,2,0,0|2,0,0]=4 18627 B13R2.5292 O=C1CC(C1)CSCCC2CC2 62a_100000764125_100009874392 [0,0,0,2,0,0|2,0,0]=4 18628 B13R2.5292 O=C1CC(C1)CSCCC2CC2 62a_100009874392_100000764125 [0,0,0,2,0,0|2,0,0]=4 18629 B13R2.5303 O=C1CC(C1)CNCC2CCC2 2230a_100000738700_100009874392 [0,0,0,2,0,0|2,0,0]=4 18630 B13R2.5303 O=C1CC(C1)COCC2CCC2 34a_100000101936_100000763275 [0,0,0,2,0,0|2,0,0]=4 18631 B13R2.5303 O=C1CC(C1)CSCC2CCC2 62a_100000763275_100009874392 [0,0,0,2,0,0|2,0,0]=4 18632 B13R2.5303 O=C1CC(C1)CSCC2CCC2 62a_100009874392_100000763275 [0,0,0,2,0,0|2,0,0]=4 18633 B13R2.1287 NC(=O)CN1CC2CCC1CC2 2230a_100000750499_100000747473 [0,0,0,2,0,0|2,0,0]=4 18634 B13R2.1287 NC(=O)CN1CC2CCC1CC2 269982a_100000750499_100000187820 [0,0,0,2,0,0|2,0,0]=4 18635 B13R2.1287 NC(=O)CN1CC2CCC1CC2 34a_100000750499_100000187820 [0,0,0,2,0,0|2,0,0]=4 18636 B13R2.1287 O=C([O-])CN1CC2CCC1CC2 269982a_100000750499_100020667443 [0,0,0,2,0,0|1,0,1]=4 18637 B13R2.1287 O=C([O-])CN1CC2CCC1CC2 34a_100000750499_100020667443 [0,0,0,2,0,0|1,0,1]=4 18638 B13R2.1264 CC(=O)CCN1C2CCC1CC2 269982a_100000735658_100000053229 [0,0,0,2,0,0|2,0,0]=4 18639 B13R2.1264 CC(=O)COC1C2CCC1CC2 34a_100000211253_100009813300 [0,0,0,2,0,0|2,0,0]=4 18640 B13R2.1264 NC(=O)CCN1C2CCC1CC2 2230a_100000735658_100000744528 [0,0,0,2,0,0|2,0,0]=4 18641 B13R2.1264 NC(=O)CCN1C2CCC1CC2 269982a_100000735658_100000744528 [0,0,0,2,0,0|2,0,0]=4 18642 B13R2.1264 NC(=O)CCN1C2CCC1CC2 34a_100000735658_100000731001 [0,0,0,2,0,0|2,0,0]=4 18643 B13R2.1264 NC(=O)CSC1C2CCC1CC2 62a_100000747473_100009813300 [0,0,0,2,0,0|2,0,0]=4 18644 B13R2.1264 NC(=O)CSC1C2CCC1CC2 62a_100009813300_100000747473 [0,0,0,2,0,0|2,0,0]=4 18645 B13R2.1264 O=C(O)CNC1C2CCC1CC2 269956a_100016091260_100009813300 [0,0,0,2,0,0|1,0,0]=3 18646 B13R2.1264 O=C([O-])CSC1C2CCC1CC2 62a_100009813300_100020667443 [0,0,0,2,0,0|1,0,1]=4 18647 B13R2.1264 O=C([O-])CSC1C2CCC1CC2 62a_100020667443_100009813300 [0,0,0,2,0,0|1,0,1]=4 18648 B13R2.2334 CN1[C@@H](C[C@H]2[C@@H]1CCC2)C(=O)O 269956a_100015758391_200000210301 [0,0,0,2,0,0|1,0,0]=3 18649 B13R2.2334 [13CH3]N1[C@@H](C[C@H]2[C@@H]1CCC2)C(=O)O 269956a_100015758391_200025704644 [0,0,0,2,0,0|1,0,0]=3 18650 B13R2.3156 CC(=O)CCN1CCCC12CC2 269982a_100020620911_100000053229 [0,0,0,2,0,0|2,0,0]=4 18651 B13R2.3156 NC(=O)CCN1CCCC12CC2 2230a_100020620911_100000744528 [0,0,0,2,0,0|2,0,0]=4 18652 B13R2.3156 NC(=O)CCN1CCCC12CC2 269982a_100020620911_100000744528 [0,0,0,2,0,0|2,0,0]=4 18653 B13R2.3156 NC(=O)CCN1CCCC12CC2 34a_100020620911_100000731001 [0,0,0,2,0,0|2,0,0]=4 18654 B13R2.5551 CC(=O)CCN1CC2CCC1C2 269982a_100000743476_100000053229 [0,0,0,2,0,0|2,0,0]=4 18655 B13R2.5551 CC(=O)COC1CC2CCC1C2 34a_100000211253_100000727232 [0,0,0,2,0,0|2,0,0]=4 18656 B13R2.5551 NC(=O)CCN1CC2CCC1C2 2230a_100000743476_100000744528 [0,0,0,2,0,0|2,0,0]=4 18657 B13R2.5551 NC(=O)CCN1CC2CCC1C2 269982a_100000743476_100000744528 [0,0,0,2,0,0|2,0,0]=4 18658 B13R2.5551 NC(=O)CCN1CC2CCC1C2 34a_100000743476_100000731001 [0,0,0,2,0,0|2,0,0]=4 18659 B13R2.5551 NC(=O)CNC1CC2CCC1C2 2230a_100000758229_100000747473 [0,0,0,2,0,0|2,0,0]=4 18660 B13R2.5551 NC(=O)CNC1CC2CCC1C2 34a_100000758229_100000187820 [0,0,0,2,0,0|2,0,0]=4 18661 B13R2.5551 NC(=O)COC1CC2CCC1C2 34a_100000211339_100000187820 [0,0,0,2,0,0|2,0,0]=4 18662 B13R2.5551 NC(=O)CSC1CC2CCC1C2 62a_100000727232_100000747473 [0,0,0,2,0,0|2,0,0]=4 18663 B13R2.5551 NC(=O)CSC1CC2CCC1C2 62a_100000747473_100000727232 [0,0,0,2,0,0|2,0,0]=4 18664 B13R2.5551 O=C(O)CNC1CC2CCC1C2 269956a_100016091260_100000727232 [0,0,0,2,0,0|1,0,0]=3 18665 B13R2.5551 O=C([O-])CNC1CC2CCC1C2 34a_100000758229_100020667443 [0,0,0,2,0,0|1,0,1]=4 18666 B13R2.5551 O=C([O-])COC1CC2CCC1C2 34a_100000211339_100020667443 [0,0,0,2,0,0|1,0,1]=4 18667 B13R2.5551 O=C([O-])CSC1CC2CCC1C2 62a_100000727232_100020667443 [0,0,0,2,0,0|1,0,1]=4 18668 B13R2.5551 O=C([O-])CSC1CC2CCC1C2 62a_100020667443_100000727232 [0,0,0,2,0,0|1,0,1]=4 18669 B13R2.435 CC(=O)N1C[C@H]2CCCC[C@H]2C1 11a_100015204113_100015343762 [0,0,0,2,0,0|2,0,0]=4 18670 B13R2.435 CC(=O)N1C[C@H]2CCCC[C@H]2C1 1626a_100015204113_100015343762 [0,0,0,2,0,0|2,0,0]=4 18671 B13R2.435 CC(=O)N1C[C@H]2CCCC[C@H]2C1 240690a_100015204113_100015343762 [0,0,0,2,0,0|2,0,0]=4 18672 B13R2.435 CC(=O)N1C[C@H]2CCCC[C@H]2C1 527a_100015204113_100103153847 [0,0,0,2,0,0|2,0,0]=4 18673 B13R2.543 NC(=O)CN1C[C@H]2CCC[C@H]2C1 2230a_100102946302_100000747473 [0,0,0,2,0,0|2,0,0]=4 18674 B13R2.543 NC(=O)CN1C[C@H]2CCC[C@H]2C1 269982a_100102946302_100000187820 [0,0,0,2,0,0|2,0,0]=4 18675 B13R2.543 NC(=O)CN1C[C@H]2CCC[C@H]2C1 34a_100102946302_100000187820 [0,0,0,2,0,0|2,0,0]=4 18676 B13R2.543 O=C([O-])CN1C[C@H]2CCC[C@H]2C1 269982a_100102946302_100020667443 [0,0,0,2,0,0|1,0,1]=4 18677 B13R2.543 O=C([O-])CN1C[C@H]2CCC[C@H]2C1 34a_100102946302_100020667443 [0,0,0,2,0,0|1,0,1]=4 18678 B13R2.13806 NC(=O)CCNC1CCC2C1C2 269862a_100000740010_100000692480 [0,0,0,2,0,0|2,0,0]=4 18679 B13R2.13806 NC(=O)CCOC1CCC2C1C2 34a_200012295571_100000731001 [0,0,0,2,0,0|2,0,0]=4 18680 B13R2.5565 CC(=O)CCCN1CC2CC2C1 269982a_100000741873_100011215641 [0,0,0,2,0,0|2,0,0]=4 18681 B13R2.5565 CC(=O)CCCN1CC2CC2C1 34a_100000741873_100000685027 [0,0,0,2,0,0|2,0,0]=4 18682 B13R2.5565 NC(=O)CCCN1CC2CC2C1 269982a_100000741873_100102525003 [0,0,0,2,0,0|2,0,0]=4 18683 B13R2.5565 NC(=O)CCCN1CC2CC2C1 34a_100000741873_100102525003 [0,0,0,2,0,0|2,0,0]=4 18684 B13R2.432 CC(=O)C1CCN1C2CCCC2 1458a_100000043100_200000210301 [0,0,0,2,0,0|2,0,0]=4 18685 B13R2.432 O=C(O)C1CCN1C2CCCC2 269956a_100000021838_100000179811 [0,0,0,2,0,0|1,0,0]=3 18686 B13R2.432 O=C(O)C1CCN1C2CCOC2 269956a_100000021838_100000731011 [0,0,0,2,0,0|2,0,0]=4 18687 B13R2.432 [13CH3]C(=O)C1CCN1C2CCCC2 1458a_100000043100_200025704644 [0,0,0,2,0,0|2,0,0]=4 18688 B13R2.5602 NC(=O)[C@@H]1CCCN1C2CCC2 270004a_100000003125_100000241760 [0,0,0,2,0,0|2,0,0]=4 18689 B13R2.5602 O=C(O)C1SCCN1C2CCC2 269956a_100000035718_100000749161 [0,0,0,2,0,0|2,0,0]=4 18690 B13R2.5602 O=C(O)[C@@H]1CCCN1C2CCC2 269956a_100000743916_100000749161 [0,0,0,2,0,0|1,0,0]=3 18691 B13R2.5602 O=C(O)[C@@H]1CCCN1C2COC2 269956a_100000743916_100009818527 [0,0,0,2,0,0|2,0,0]=4 18692 B13R2.5602 O=C(O)[C@@H]1CSCN1C2CCC2 269956a_100000743924_100000749161 [0,0,0,2,0,0|2,0,0]=4 18693 B13R2.13743 O=C(O)C1CCN1CC2CCC2 269956a_100000021838_100000763275 [0,0,0,2,0,0|1,0,0]=3 18694 B13R2.13743 O=C(O)C1CCN1CC2CCO2 269956a_100000021838_100000103362 [0,0,0,2,0,0|2,0,0]=4 18695 B13R2.13743 O=C(O)C1CCN1CC2COC2 269956a_100000021838_100010264016 [0,0,0,2,0,0|2,0,0]=4 18696 B13R2.5514 NC(=O)C1CCCCN1C2CC2 269982a_100000181395_100000211595 [0,0,0,2,0,0|2,0,0]=4 18697 B13R2.5514 NC(=O)C1CCCCN1C2CC2 34a_100000181395_100000211595 [0,0,0,2,0,0|2,0,0]=4 18698 B13R2.5514 O=C(O)C1CCSCN1C2CC2 269956a_100015185162_100000211595 [0,0,0,2,0,0|2,0,0]=4 18699 B13R2.5514 O=C(O)C1CSCCN1C2CC2 269956a_100011346106_100000211595 [0,0,0,2,0,0|2,0,0]=4 18700 B13R2.5514 O=C(O)[C@H]1CCCCN1C2CC2 269956a_100000763471_100000211595 [0,0,0,2,0,0|1,0,0]=3 18701 B13R2.5514 O=C(O)[C@H]1COCCN1C2CC2 269956a_100016993156_100000211595 [0,0,0,2,0,0|2,0,0]=4 18702 B13R2.13663 CC(=O)C12CCCCN1CCC2 1458a_200020892223_200000210301 [0,0,0,2,0,0|2,0,0]=4 18703 B13R2.13663 [13CH3]C(=O)C12CCCCN1CCC2 1458a_200020892223_200025704644 [0,0,0,2,0,0|2,0,0]=4 18704 B13R2.5604 NC(=O)CN1CCCC1C2CC2 2230a_200000757794_100000747473 [0,0,0,2,0,0|2,0,0]=4 18705 B13R2.5604 NC(=O)CN1CCCC1C2CC2 269982a_200000757794_100000187820 [0,0,0,2,0,0|2,0,0]=4 18706 B13R2.5604 NC(=O)CN1CCCC1C2CC2 34a_200000757794_100000187820 [0,0,0,2,0,0|2,0,0]=4 18707 B13R2.5604 O=C([O-])CN1CCCC1C2CC2 269982a_200000757794_100020667443 [0,0,0,2,0,0|1,0,1]=4 18708 B13R2.5604 O=C([O-])CN1CCCC1C2CC2 34a_200000757794_100020667443 [0,0,0,2,0,0|1,0,1]=4 18709 B13R2.14125 CC(=O)CC12CCCN1CCC2 1458a_100000070827_200000210301 [0,0,0,2,0,0|2,0,0]=4 18710 B13R2.14125 [13CH3]C(=O)CC12CCCN1CCC2 1458a_100000070827_200025704644 [0,0,0,2,0,0|2,0,0]=4 18711 B13R2.5574 NC(=O)[C@@H]1CCCN1CC2CC2 2230a_100000003125_100000742324 [0,0,0,2,0,0|2,0,0]=4 18712 B13R2.5574 O=C(O)C1SCCN1CC2CC2 269956a_100000035718_100000742324 [0,0,0,2,0,0|2,0,0]=4 18713 B13R2.5574 O=C(O)[C@@H]1CCCN1CC2CC2 269956a_100000743916_100000742324 [0,0,0,2,0,0|1,0,0]=3 18714 B13R2.5574 O=C(O)[C@@H]1CCCN1CC2CO2 269956a_100000743916_102125554688 [0,0,0,2,0,0|2,0,0]=4 18715 B13R2.5574 O=C(O)[C@@H]1CCCN1CC2CS2 269956a_100000743916_100000031435 [0,0,0,2,0,0|2,0,0]=4 18716 B13R2.5574 O=C(O)[C@@H]1CCCN1C[C@@H]2CO2 269956a_100000743916_100000745022 [0,0,0,2,0,0|2,0,0]=4 18717 B13R2.5574 O=C(O)[C@@H]1CSCN1CC2CC2 269956a_100000743924_100000742324 [0,0,0,2,0,0|2,0,0]=4 18718 B13R2.5563 O=C(O)C1CCN1CCC2CC2 269956a_100000021838_100000694398 [0,0,0,2,0,0|1,0,0]=3 18719 B13R2.5563 O=C(O)C1CCN1CCC2CO2 269956a_100000021838_100000732470 [0,0,0,2,0,0|2,0,0]=4