0 B12R0.234 C#CCCCCCCCCC(=O)C 1458a_100000029693_200000210301 [0,0,0,0,0,0|1,0,2]=3 1 B12R0.234 C#CCCCCCCCCC(=O)[13CH3] 1458a_100000029693_200025704644 [0,0,0,0,0,0|1,0,2]=3 2 B12R0.234 C#CCCCCCCNCC(=O)N 2230a_100000711301_100012276617 [0,0,0,0,0,0|2,0,2]=4 3 B12R0.234 C#CCCCCCCNCC(=O)O 269956a_100016091260_100012276617 [0,0,0,0,0,0|1,0,2]=3 4 B12R0.234 C#CCCCCCCOCC(=O)C 34a_100000211253_100012276617 [0,0,0,0,0,0|2,0,2]=4 5 B12R0.234 C#CCCCCCCOCC(=O)N 34a_100011217361_100000187820 [0,0,0,0,0,0|2,0,2]=4 6 B12R0.234 C#CCCCCCCOCC(=O)N 7a_100011217361_100000187820 [0,0,0,0,0,0|2,0,2]=4 7 B12R0.234 C#CCCCCCCOCC(=O)[O-] 34a_100011217361_100020667443 [0,0,0,0,0,0|1,0,3]=4 8 B12R0.234 C#CCCCCCCSCC(=O)N 62a_100000747473_100012276617 [0,0,0,0,0,0|2,0,2]=4 9 B12R0.234 C#CCCCCCCSCC(=O)N 62a_100012276617_100000747473 [0,0,0,0,0,0|2,0,2]=4 10 B12R0.234 C#CCCCCCCSCC(=O)[O-] 62a_100012276617_100020667443 [0,0,0,0,0,0|1,0,3]=4 11 B12R0.234 C#CCCCCCCSCC(=O)[O-] 62a_100020667443_100012276617 [0,0,0,0,0,0|1,0,3]=4 12 B12R0.234 C#CCCCCCNOCC(=O)O 269956a_100000106656_100012094781 [0,0,0,0,0,0|2,0,2]=4 13 B12R0.234 C#CCCCCCOCCC(=O)C 34a_100000759926_100012094781 [0,0,0,0,0,0|2,0,2]=4 14 B12R0.234 C#CCCCCCOCCC(=O)C 7a_100000759926_100012094781 [0,0,0,0,0,0|2,0,2]=4 15 B12R0.234 C#CCCCCCOCCC(=O)C 7a_100000766912_100000053229 [0,0,0,0,0,0|2,0,2]=4 16 B12R0.234 C#CCCCCCOCCC(=O)N 34a_100000757172_100012094781 [0,0,0,0,0,0|2,0,2]=4 17 B12R0.234 C#CCCCCCOCCC(=O)N 34a_100000766912_100000731001 [0,0,0,0,0,0|2,0,2]=4 18 B12R0.234 C#CCCCCCOCCC(=O)N 7a_100000757172_100012094781 [0,0,0,0,0,0|2,0,2]=4 19 B12R0.234 C#CCCCCCOCCC(=O)N 7a_100000766912_100000744528 [0,0,0,0,0,0|2,0,2]=4 20 B12R0.234 C#CCCCCCSCCC(=O)C 62a_100000053229_100012094781 [0,0,0,0,0,0|2,0,2]=4 21 B12R0.234 C#CCCCCCSCCC(=O)C 62a_100012094781_100000053229 [0,0,0,0,0,0|2,0,2]=4 22 B12R0.234 C#CCCCCCSCCC(=O)N 62a_100000744528_100012094781 [0,0,0,0,0,0|2,0,2]=4 23 B12R0.234 C#CCCCCCSCCC(=O)N 62a_100012094781_100000744528 [0,0,0,0,0,0|2,0,2]=4 24 B12R0.234 C#CCCCCNCCCC(=O)C 34a_100000706060_100000685027 [0,0,0,0,0,0|2,0,2]=4 25 B12R0.234 C#CCCCCNCCCC(=O)N 34a_100000706060_100102525003 [0,0,0,0,0,0|2,0,2]=4 26 B12R0.234 C#CCCCCNCCCC(=O)N 34a_100000739312_100010269958 [0,0,0,0,0,0|2,0,2]=4 27 B12R0.234 C#CCCCCOCCCC(=O)C 34a_100000759063_100010269958 [0,0,0,0,0,0|2,0,2]=4 28 B12R0.234 C#CCCCCOCCCC(=O)C 34a_100000766709_100000685027 [0,0,0,0,0,0|2,0,2]=4 29 B12R0.234 C#CCCCCOCCCC(=O)C 7a_100000759063_100010269958 [0,0,0,0,0,0|2,0,2]=4 30 B12R0.234 C#CCCCCOCCCC(=O)C 7a_100000766709_100011215641 [0,0,0,0,0,0|2,0,2]=4 31 B12R0.234 C#CCCCCOCCCC(=O)N 34a_100000766709_100102525003 [0,0,0,0,0,0|2,0,2]=4 32 B12R0.234 C#CCCCCOCCCC(=O)N 7a_100000766709_100102525003 [0,0,0,0,0,0|2,0,2]=4 33 B12R0.234 C#CCCCCSCCCC(=O)C 62a_100010269958_100011215641 [0,0,0,0,0,0|2,0,2]=4 34 B12R0.234 C#CCCCCSCCCC(=O)C 62a_100011215641_100010269958 [0,0,0,0,0,0|2,0,2]=4 35 B12R0.234 C#CCCCCSCCCC(=O)N 62a_100010269958_100102525003 [0,0,0,0,0,0|2,0,2]=4 36 B12R0.234 C#CCCCCSCCCC(=O)N 62a_100102525003_100010269958 [0,0,0,0,0,0|2,0,2]=4 37 B12R0.234 C#CCCCNCCCCC(=O)C 34a_100000718082_100009817362 [0,0,0,0,0,0|2,0,2]=4 38 B12R0.234 C#CCCCNCCCCC(=O)N 34a_100000696515_100000695029 [0,0,0,0,0,0|2,0,2]=4 39 B12R0.234 C#CCCCNCCOCC(=O)O 269956a_100000700818_100011215417 [0,0,0,0,0,0|2,0,2]=4 40 B12R0.234 C#CCCCOCCCCC(=O)C 34a_100000215630_100009817362 [0,0,0,0,0,0|2,0,2]=4 41 B12R0.234 C#CCCCOCCCCC(=O)C 7a_100000215630_100000735457 [0,0,0,0,0,0|2,0,2]=4 42 B12R0.234 C#CCCCOCCCCC(=O)N 34a_100012022536_100000695029 [0,0,0,0,0,0|2,0,2]=4 43 B12R0.234 C#CCCCOCCCCC(=O)N 7a_100012022536_100011215417 [0,0,0,0,0,0|2,0,2]=4 44 B12R0.234 C#CCCCSCCCCC(=O)C 62a_100000735457_100011215417 [0,0,0,0,0,0|2,0,2]=4 45 B12R0.234 C#CCCCSCCCCC(=O)C 62a_100011215417_100000735457 [0,0,0,0,0,0|2,0,2]=4 46 B12R0.234 C#CCCNCCCCCC(=O)N 34a_100000755551_100009817443 [0,0,0,0,0,0|2,0,2]=4 47 B12R0.234 C#CCCOCCCCCC(=O)N 34a_100000123541_100000688953 [0,0,0,0,0,0|2,0,2]=4 48 B12R0.234 C#CCCOCCCCCC(=O)N 34a_100011215631_100009817443 [0,0,0,0,0,0|2,0,2]=4 49 B12R0.234 C#CCCOCCCCCC(=O)N 7a_100000123541_100000688953 [0,0,0,0,0,0|2,0,2]=4 50 B12R0.234 C#CCCOCCCCCC(=O)[O-] 7a_100102619762_100000688953 [0,0,0,0,0,0|1,0,3]=4 51 B12R0.234 C#CCCSCCCCCC(=O)N 62a_100000688953_100009817443 [0,0,0,0,0,0|2,0,2]=4 52 B12R0.234 C#CCCSCCCCCC(=O)N 62a_100009817443_100000688953 [0,0,0,0,0,0|2,0,2]=4 53 B12R0.234 C/C=C/CCOCCCCC(=O)C 34a_100016278192_100009817362 [0,0,0,0,0,0|2,0,2]=4 54 B12R0.234 C/C=C/COCCCCCC(=O)N 34a_100000123541_100102629194 [0,0,0,0,0,0|2,0,2]=4 55 B12R0.234 C/C=C/COCCCCCC(=O)N 34a_100016270725_100009817443 [0,0,0,0,0,0|2,0,2]=4 56 B12R0.234 C/C=C/COCCCCCC(=O)N 7a_100000123541_100102629194 [0,0,0,0,0,0|2,0,2]=4 57 B12R0.234 C/C=C/COCCCCCC(=O)[O-] 7a_100102619762_100102629194 [0,0,0,0,0,0|1,0,3]=4 58 B12R0.234 C/C=C/CSCCCCCC(=O)N 62a_100009817443_100102629194 [0,0,0,0,0,0|2,0,2]=4 59 B12R0.234 C/C=C/CSCCCCCC(=O)N 62a_100102629194_100009817443 [0,0,0,0,0,0|2,0,2]=4 60 B12R0.234 C=C(Br)CCOCCCCCCC 34a_100009813270_100000210614 [0,0,0,0,0,0|3,0,0]=3 61 B12R0.234 C=C(Br)CCOCCCCCCF 34a_100009813270_100015922095 [0,0,0,0,0,0|4,0,0]=4 62 B12R0.234 C=C(Br)CCOCCCCCCO 34a_100009813270_100000766143 [0,0,0,0,0,0|4,0,0]=4 63 B12R0.234 C=C(Br)CCOCCOCCCC 34a_100009813270_100000743108 [0,0,0,0,0,0|4,0,0]=4 64 B12R0.234 C=C(C)CCNCCCCCCC 2230a_100000229938_100000730704 [0,0,0,0,0,0|3,0,0]=3 65 B12R0.234 C=C(C)CCNCCCCCCO 2230a_100000686447_100000730704 [0,0,0,0,0,0|4,0,0]=4 66 B12R0.234 C=C(C)CCNCCCCCCO 34a_100000686447_100000730704 [0,0,0,0,0,0|4,0,0]=4 67 B12R0.234 C=C(C)CCNCCCCCOC 2230a_100000747528_100000730704 [0,0,0,0,0,0|4,0,0]=4 68 B12R0.234 C=C(C)CCNCCCCCOC 34a_100000747528_100000730704 [0,0,0,0,0,0|4,0,0]=4 69 B12R0.234 C=C(C)CCNCCCOCCC 2230a_100011217757_100000730704 [0,0,0,0,0,0|4,0,0]=4 70 B12R0.234 C=C(C)CCNCCCOCCC 34a_100011217757_100000730704 [0,0,0,0,0,0|4,0,0]=4 71 B12R0.234 C=C(C)CCNCCSCCCC 2230a_100025743550_100000730704 [0,0,0,0,0,0|4,0,0]=4 72 B12R0.234 C=C(C)CCOCCCCCCBr 34a_100011215345_100000730704 [0,0,0,0,0,0|4,0,0]=4 73 B12R0.234 C=C(C)CCOCCCCCCBr 7a_100011215345_100000730704 [0,0,0,0,0,0|4,0,0]=4 74 B12R0.234 C=C(C)CCOCCCCCCC 34a_100000210272_100000730704 [0,0,0,0,0,0|3,0,0]=3 75 B12R0.234 C=C(C)CCOCCCCCCC 34a_100000764851_100000210614 [0,0,0,0,0,0|3,0,0]=3 76 B12R0.234 C=C(C)CCOCCCCCCC 7a_100000210272_100000730704 [0,0,0,0,0,0|3,0,0]=3 77 B12R0.234 C=C(C)CCOCCCCCCCl 34a_100000766143_100000730704 [0,0,0,0,0,0|4,0,0]=4 78 B12R0.234 C=C(C)CCOCCCCCCCl 7a_100000766143_100000730704 [0,0,0,0,0,0|4,0,0]=4 79 B12R0.234 C=C(C)CCOCCCCCCF 34a_100000732779_100000730704 [0,0,0,0,0,0|4,0,0]=4 80 B12R0.234 C=C(C)CCOCCCCCCF 34a_100000764851_100015922095 [0,0,0,0,0,0|4,0,0]=4 81 B12R0.234 C=C(C)CCOCCCCCCF 7a_100000732779_100000730704 [0,0,0,0,0,0|4,0,0]=4 82 B12R0.234 C=C(C)CCOCCCCCCN 34a_100000686447_100000730704 [0,0,0,0,0,0|4,0,0]=4 83 B12R0.234 C=C(C)CCOCCCCCCO 34a_100000764851_100000766143 [0,0,0,0,0,0|4,0,0]=4 84 B12R0.234 C=C(C)CCOCCCCCNC 34a_100000722520_100000730704 [0,0,0,0,0,0|4,0,0]=4 85 B12R0.234 C=C(C)CCOCCOCCCC 34a_100000210238_100000730704 [0,0,0,0,0,0|4,0,0]=4 86 B12R0.234 C=C(C)CCOCCOCCCC 34a_100000764851_100000743108 [0,0,0,0,0,0|4,0,0]=4 87 B12R0.234 C=C(C)CCOCCOCCCC 7a_100000210238_100000730704 [0,0,0,0,0,0|4,0,0]=4 88 B12R0.234 C=C(C)CCOCCSCCCC 34a_200000230436_100000730704 [0,0,0,0,0,0|4,0,0]=4 89 B12R0.234 C=C(C)CCOCCSCCCC 7a_200000230436_100000730704 [0,0,0,0,0,0|4,0,0]=4 90 B12R0.234 C=C(C)CCSCCCCCCC 62a_100000210614_100000730704 [0,0,0,0,0,0|3,0,0]=3 91 B12R0.234 C=C(C)CCSCCCCCCC 62a_100000730704_100000210316 [0,0,0,0,0,0|3,0,0]=3 92 B12R0.234 C=C(C)CCSCCCCCCF 62a_100000730704_100015922095 [0,0,0,0,0,0|4,0,0]=4 93 B12R0.234 C=C(C)CCSCCCCCCF 62a_100015922095_100000730704 [0,0,0,0,0,0|4,0,0]=4 94 B12R0.234 C=C(C)CCSCCCCCCO 62a_100000730704_100000766143 [0,0,0,0,0,0|4,0,0]=4 95 B12R0.234 C=C(C)CCSCCCCCCO 62a_100000766143_100000730704 [0,0,0,0,0,0|4,0,0]=4 96 B12R0.234 C=C(C)CCSCCOCCCC 62a_100000730704_100000743108 [0,0,0,0,0,0|4,0,0]=4 97 B12R0.234 C=C(C)CCSCCOCCCC 62a_100000743108_100000730704 [0,0,0,0,0,0|4,0,0]=4 98 B12R0.234 C=C(C)CNCCCCCCCC 2230a_100000229939_100000748629 [0,0,0,0,0,0|3,0,0]=3 99 B12R0.234 C=C(C)CNCCCCCCCC 34a_100000229939_100000748629 [0,0,0,0,0,0|3,0,0]=3 100 B12R0.234 C=C(C)CNCCCCCCCO 2230a_100011996573_100000748629 [0,0,0,0,0,0|4,0,0]=4 101 B12R0.234 C=C(C)CNCCCCCCCO 34a_100011996573_100000748629 [0,0,0,0,0,0|4,0,0]=4 102 B12R0.234 C=C(C)CNCCCOCCCC 2230a_200000211371_100000748629 [0,0,0,0,0,0|4,0,0]=4 103 B12R0.234 C=C(C)CNCCCOCCCC 34a_200000211371_100000748629 [0,0,0,0,0,0|4,0,0]=4 104 B12R0.234 C=C(C)COCCCCCCCBr 34a_100000760002_100000748629 [0,0,0,0,0,0|4,0,0]=4 105 B12R0.234 C=C(C)COCCCCCCCBr 7a_100000760002_100000748629 [0,0,0,0,0,0|4,0,0]=4 106 B12R0.234 C=C(C)COCCCCCCCC 34a_100000210232_100000748629 [0,0,0,0,0,0|3,0,0]=3 107 B12R0.234 C=C(C)COCCCCCCCC 34a_100000210245_100000210759 [0,0,0,0,0,0|3,0,0]=3 108 B12R0.234 C=C(C)COCCCCCCCC 7a_100000210232_100000748629 [0,0,0,0,0,0|3,0,0]=3 109 B12R0.234 C=C(C)COCCCCCCCN 34a_100011996573_100000748629 [0,0,0,0,0,0|4,0,0]=4 110 B12R0.234 C=C(C)COCCCCCCCO 34a_100000210245_100000760002 [0,0,0,0,0,0|4,0,0]=4 111 B12R0.234 C=C(C)COCCCCCCOC 34a_100000210245_100011998445 [0,0,0,0,0,0|4,0,0]=4 112 B12R0.234 C=C(C)COCCCCCCOC 34a_200012092642_100000748629 [0,0,0,0,0,0|4,0,0]=4 113 B12R0.234 C=C(C)COCCCCCCOC 7a_200012092642_100000748629 [0,0,0,0,0,0|4,0,0]=4 114 B12R0.234 C=C(C)COCCCOCCCC 34a_200011215613_100000748629 [0,0,0,0,0,0|4,0,0]=4 115 B12R0.234 C=C(C)COCCCOCCCC 7a_200011215613_100000748629 [0,0,0,0,0,0|4,0,0]=4 116 B12R0.234 C=C(C)COCCNCCCCC 34a_100000224656_100000748629 [0,0,0,0,0,0|4,0,0]=4 117 B12R0.234 C=C(C)COCCOCCCCC 34a_100011215259_100000748629 [0,0,0,0,0,0|4,0,0]=4 118 B12R0.234 C=C(C)COCCOCCCCC 7a_100011215259_100000748629 [0,0,0,0,0,0|4,0,0]=4 119 B12R0.234 C=C(C)CSCCCCCCCC 62a_100000210759_100000211660 [0,0,0,0,0,0|3,0,0]=3 120 B12R0.234 C=C(C)CSCCCCCCCC 62a_100000748629_100000210317 [0,0,0,0,0,0|3,0,0]=3 121 B12R0.234 C=C(C)CSCCCCCCCO 62a_100000748629_100000760002 [0,0,0,0,0,0|4,0,0]=4 122 B12R0.234 C=C(C)CSCCCCCCCO 62a_100000760002_100000211660 [0,0,0,0,0,0|4,0,0]=4 123 B12R0.234 C=C(C)CSCCCCCCOC 62a_100000748629_100011998445 [0,0,0,0,0,0|4,0,0]=4 124 B12R0.234 C=C(C)CSCCCCCCOC 62a_100011998445_100000211660 [0,0,0,0,0,0|4,0,0]=4 125 B12R0.234 C=C(F)CNCCCCCCCC 2230a_100000229939_100009893438 [0,0,0,0,0,0|3,0,0]=3 126 B12R0.234 C=C(F)CNCCCCCCCC 34a_100000229939_100009893438 [0,0,0,0,0,0|3,0,0]=3 127 B12R0.234 C=C(F)CNCCCCCCCO 2230a_100011996573_100009893438 [0,0,0,0,0,0|4,0,0]=4 128 B12R0.234 C=C(F)CNCCCCCCCO 34a_100011996573_100009893438 [0,0,0,0,0,0|4,0,0]=4 129 B12R0.234 C=C(F)CNCCCOCCCC 2230a_200000211371_100009893438 [0,0,0,0,0,0|4,0,0]=4 130 B12R0.234 C=C(F)CNCCCOCCCC 34a_200000211371_100009893438 [0,0,0,0,0,0|4,0,0]=4 131 B12R0.234 C=C(F)COCCCCCCCBr 34a_100000760002_100009893438 [0,0,0,0,0,0|4,0,0]=4 132 B12R0.234 C=C(F)COCCCCCCCBr 7a_100000760002_100000042424 [0,0,0,0,0,0|4,0,0]=4 133 B12R0.234 C=C(F)COCCCCCCCC 34a_100000210232_100009893438 [0,0,0,0,0,0|3,0,0]=3 134 B12R0.234 C=C(F)COCCCCCCCC 34a_200010262243_100000210759 [0,0,0,0,0,0|3,0,0]=3 135 B12R0.234 C=C(F)COCCCCCCCC 7a_100000210232_100000042424 [0,0,0,0,0,0|3,0,0]=3 136 B12R0.234 C=C(F)COCCCCCCCN 34a_100011996573_100009893438 [0,0,0,0,0,0|4,0,0]=4 137 B12R0.234 C=C(F)COCCCCCCCO 34a_200010262243_100000760002 [0,0,0,0,0,0|4,0,0]=4 138 B12R0.234 C=C(F)COCCCCCCOC 34a_200010262243_100011998445 [0,0,0,0,0,0|4,0,0]=4 139 B12R0.234 C=C(F)COCCCCCCOC 34a_200012092642_100009893438 [0,0,0,0,0,0|4,0,0]=4 140 B12R0.234 C=C(F)COCCCCCCOC 7a_200012092642_100000042424 [0,0,0,0,0,0|4,0,0]=4 141 B12R0.234 C=C(F)COCCCOCCCC 34a_200011215613_100009893438 [0,0,0,0,0,0|4,0,0]=4 142 B12R0.234 C=C(F)COCCCOCCCC 7a_200011215613_100000042424 [0,0,0,0,0,0|4,0,0]=4 143 B12R0.234 C=C(F)COCCNCCCCC 34a_100000224656_100009893438 [0,0,0,0,0,0|4,0,0]=4 144 B12R0.234 C=C(F)COCCOCCCCC 34a_100011215259_100009893438 [0,0,0,0,0,0|4,0,0]=4 145 B12R0.234 C=C(F)COCCOCCCCC 7a_100011215259_100000042424 [0,0,0,0,0,0|4,0,0]=4 146 B12R0.234 C=C(F)CSCCCCCCCC 62a_100000042424_100000210317 [0,0,0,0,0,0|3,0,0]=3 147 B12R0.234 C=C(F)CSCCCCCCCC 62a_100000210759_100000042424 [0,0,0,0,0,0|3,0,0]=3 148 B12R0.234 C=C(F)CSCCCCCCCO 62a_100000042424_100000760002 [0,0,0,0,0,0|4,0,0]=4 149 B12R0.234 C=C(F)CSCCCCCCCO 62a_100000760002_100000042424 [0,0,0,0,0,0|4,0,0]=4 150 B12R0.234 C=C(F)CSCCCCCCOC 62a_100000042424_100011998445 [0,0,0,0,0,0|4,0,0]=4 151 B12R0.234 C=C(F)CSCCCCCCOC 62a_100011998445_100000042424 [0,0,0,0,0,0|4,0,0]=4 152 B12R0.234 C=CCCCCCCCCC(=O)C 1458a_100000070787_100011933949 [0,0,0,0,0,0|1,0,2]=3 153 B12R0.234 C=CCCCCCCCCC(=O)C 1458a_100000211349_200000210301 [0,0,0,0,0,0|1,0,2]=3 154 B12R0.234 C=CCCCCCCCCC(=O)[13CH3] 1458a_100000211349_200025704644 [0,0,0,0,0,0|1,0,2]=3 155 B12R0.234 C=CCCCCCCNCC(=O)N 2230a_100000711301_100011215473 [0,0,0,0,0,0|2,0,2]=4 156 B12R0.234 C=CCCCCCCNCC(=O)O 269956a_100016091260_100011215473 [0,0,0,0,0,0|1,0,2]=3 157 B12R0.234 C=CCCCCCCOCC(=O)C 34a_100000211253_100011215473 [0,0,0,0,0,0|2,0,2]=4 158 B12R0.234 C=CCCCCCCOCC(=O)N 34a_200011216477_100000187820 [0,0,0,0,0,0|2,0,2]=4 159 B12R0.234 C=CCCCCCCOCC(=O)N 7a_200011216477_100000187820 [0,0,0,0,0,0|2,0,2]=4 160 B12R0.234 C=CCCCCCCOCC(=O)[O-] 34a_200011216477_100020667443 [0,0,0,0,0,0|1,0,3]=4 161 B12R0.234 C=CCCCCCCSCC(=O)N 62a_100000747473_100011215473 [0,0,0,0,0,0|2,0,2]=4 162 B12R0.234 C=CCCCCCCSCC(=O)N 62a_100011215473_100000747473 [0,0,0,0,0,0|2,0,2]=4 163 B12R0.234 C=CCCCCCCSCC(=O)[O-] 62a_100011215473_100020667443 [0,0,0,0,0,0|1,0,3]=4 164 B12R0.234 C=CCCCCCCSCC(=O)[O-] 62a_100020667443_100011215473 [0,0,0,0,0,0|1,0,3]=4 165 B12R0.234 C=CCCCCCNOCC(=O)O 269956a_100000106656_100000700193 [0,0,0,0,0,0|2,0,2]=4 166 B12R0.234 C=CCCCCCOCCC(=O)C 34a_100000759926_100000700193 [0,0,0,0,0,0|2,0,2]=4 167 B12R0.234 C=CCCCCCOCCC(=O)C 7a_100000759926_100000700193 [0,0,0,0,0,0|2,0,2]=4 168 B12R0.234 C=CCCCCCOCCC(=O)C 7a_100011216702_100000053229 [0,0,0,0,0,0|2,0,2]=4 169 B12R0.234 C=CCCCCCOCCC(=O)N 34a_100000757172_100000700193 [0,0,0,0,0,0|2,0,2]=4 170 B12R0.234 C=CCCCCCOCCC(=O)N 34a_100011216702_100000731001 [0,0,0,0,0,0|2,0,2]=4 171 B12R0.234 C=CCCCCCOCCC(=O)N 7a_100000757172_100000700193 [0,0,0,0,0,0|2,0,2]=4 172 B12R0.234 C=CCCCCCOCCC(=O)N 7a_100011216702_100000744528 [0,0,0,0,0,0|2,0,2]=4 173 B12R0.234 C=CCCCCCSCCC(=O)C 62a_100000053229_100000700193 [0,0,0,0,0,0|2,0,2]=4 174 B12R0.234 C=CCCCCCSCCC(=O)C 62a_100000700193_100000053229 [0,0,0,0,0,0|2,0,2]=4 175 B12R0.234 C=CCCCCCSCCC(=O)N 62a_100000700193_100000744528 [0,0,0,0,0,0|2,0,2]=4 176 B12R0.234 C=CCCCCCSCCC(=O)N 62a_100000744528_100000700193 [0,0,0,0,0,0|2,0,2]=4 177 B12R0.234 C=CCCCCNCCCC(=O)C 34a_100000703577_100000685027 [0,0,0,0,0,0|2,0,2]=4 178 B12R0.234 C=CCCCCNCCCC(=O)N 34a_100000703577_100102525003 [0,0,0,0,0,0|2,0,2]=4 179 B12R0.234 C=CCCCCNCCCC(=O)N 34a_100000739312_100011215482 [0,0,0,0,0,0|2,0,2]=4 180 B12R0.234 C=CCCCCOCCCC(=O)C 34a_100000759063_100011215482 [0,0,0,0,0,0|2,0,2]=4 181 B12R0.234 C=CCCCCOCCCC(=O)C 34a_100000766645_100000685027 [0,0,0,0,0,0|2,0,2]=4 182 B12R0.234 C=CCCCCOCCCC(=O)C 7a_100000759063_100011215482 [0,0,0,0,0,0|2,0,2]=4 183 B12R0.234 C=CCCCCOCCCC(=O)C 7a_100000766645_100011215641 [0,0,0,0,0,0|2,0,2]=4 184 B12R0.234 C=CCCCCOCCCC(=O)N 34a_100000766645_100102525003 [0,0,0,0,0,0|2,0,2]=4 185 B12R0.234 C=CCCCCOCCCC(=O)N 7a_100000766645_100102525003 [0,0,0,0,0,0|2,0,2]=4 186 B12R0.234 C=CCCCCSCCCC(=O)C 62a_100011215482_100011215641 [0,0,0,0,0,0|2,0,2]=4 187 B12R0.234 C=CCCCCSCCCC(=O)C 62a_100011215641_100011215482 [0,0,0,0,0,0|2,0,2]=4 188 B12R0.234 C=CCCCCSCCCC(=O)N 62a_100011215482_100102525003 [0,0,0,0,0,0|2,0,2]=4 189 B12R0.234 C=CCCCCSCCCC(=O)N 62a_100102525003_100011215482 [0,0,0,0,0,0|2,0,2]=4 190 B12R0.234 C=CCCCNCCCCC(=O)C 34a_100000700776_100009817362 [0,0,0,0,0,0|2,0,2]=4 191 B12R0.234 C=CCCCNCCCCC(=O)N 34a_100000696515_100000757094 [0,0,0,0,0,0|2,0,2]=4 192 B12R0.234 C=CCCCNCCOCC(=O)O 269956a_100000700818_100011713584 [0,0,0,0,0,0|2,0,2]=4 193 B12R0.234 C=CCCCOCCCCC(=O)C 34a_100000758997_100009817362 [0,0,0,0,0,0|2,0,2]=4 194 B12R0.234 C=CCCCOCCCCC(=O)C 7a_100000758997_100000735457 [0,0,0,0,0,0|2,0,2]=4 195 B12R0.234 C=CCCCOCCCCC(=O)N 34a_100012022536_100000757094 [0,0,0,0,0,0|2,0,2]=4 196 B12R0.234 C=CCCCOCCCCC(=O)N 7a_100012022536_100000757094 [0,0,0,0,0,0|2,0,2]=4 197 B12R0.234 C=CCCCSCCCCC(=O)C 62a_100000735457_100000757094 [0,0,0,0,0,0|2,0,2]=4 198 B12R0.234 C=CCCCSCCCCC(=O)C 62a_100011713584_100000735457 [0,0,0,0,0,0|2,0,2]=4 199 B12R0.234 C=CCCNCCCCCC(=O)N 2230a_100015191253_100009817443 [0,0,0,0,0,0|2,0,2]=4 200 B12R0.234 C=CCCOCCCCCC(=O)N 34a_100000123541_100000754431 [0,0,0,0,0,0|2,0,2]=4 201 B12R0.234 C=CCCOCCCCCC(=O)N 34a_100011205117_100009817443 [0,0,0,0,0,0|2,0,2]=4 202 B12R0.234 C=CCCOCCCCCC(=O)N 7a_100000123541_100000754431 [0,0,0,0,0,0|2,0,2]=4 203 B12R0.234 C=CCCOCCCCCC(=O)[O-] 7a_100102619762_100000754431 [0,0,0,0,0,0|1,0,3]=4 204 B12R0.234 C=CCCSCCCCCC(=O)N 62a_100000754431_100009817443 [0,0,0,0,0,0|2,0,2]=4 205 B12R0.234 C=CCCSCCCCCC(=O)N 62a_100009817443_100000754431 [0,0,0,0,0,0|2,0,2]=4 206 B12R0.234 CC#CCCCCCCCC(=O)C 1458a_100000066323_200000210301 [0,0,0,0,0,0|1,0,2]=3 207 B12R0.234 CC#CCCCCCCCC(=O)[13CH3] 1458a_100000066323_200025704644 [0,0,0,0,0,0|1,0,2]=3 208 B12R0.234 CC#CCCOCCCCC(=O)C 34a_100000750427_100009817362 [0,0,0,0,0,0|2,0,2]=4 209 B12R0.234 CC#CCNCCCCCC(=O)N 2230a_100000685387_100009817443 [0,0,0,0,0,0|2,0,2]=4 210 B12R0.234 CC#CCNCCCCCC(=O)N 34a_100000685387_100009817443 [0,0,0,0,0,0|2,0,2]=4 211 B12R0.234 CC#CCOCCCCCC(=O)N 34a_100000123541_100000748600 [0,0,0,0,0,0|2,0,2]=4 212 B12R0.234 CC#CCOCCCCCC(=O)N 34a_100000761923_100009817443 [0,0,0,0,0,0|2,0,2]=4 213 B12R0.234 CC#CCOCCCCCC(=O)N 7a_100000123541_100000748600 [0,0,0,0,0,0|2,0,2]=4 214 B12R0.234 CC#CCOCCCCCC(=O)[O-] 7a_100102619762_100000748600 [0,0,0,0,0,0|1,0,3]=4 215 B12R0.234 CC#CCSCCCCCC(=O)N 62a_100000748600_100009817443 [0,0,0,0,0,0|2,0,2]=4 216 B12R0.234 CC#CCSCCCCCC(=O)N 62a_100009817443_100000748600 [0,0,0,0,0,0|2,0,2]=4 217 B12R0.234 CC(=O)CCCCCCCCCF 1458a_200009909015_200000210301 [0,0,0,0,0,0|2,0,0]=2 218 B12R0.234 CC(=O)CCCCCCCCCO 1458a_100000070787_100009813782 [0,0,0,0,0,0|2,0,0]=2 219 B12R0.234 CC(=O)CCCCNCCCCO 34a_100000750430_100009817362 [0,0,0,0,0,0|3,0,0]=3 220 B12R0.234 CC(=O)CCCCOCCCCBr 34a_100011216708_100009817362 [0,0,0,0,0,0|3,0,0]=3 221 B12R0.234 CC(=O)CCCCOCCCCCl 34a_100000210776_100009817362 [0,0,0,0,0,0|3,0,0]=3 222 B12R0.234 CC(=O)CCCCOCCCCCl 7a_100000210776_100000735457 [0,0,0,0,0,0|3,0,0]=3 223 B12R0.234 CC(=O)CCCCOCCCCF 34a_100011995726_100009817362 [0,0,0,0,0,0|3,0,0]=3 224 B12R0.234 CC(=O)CCCCOCCCCF 7a_100011995726_100000735457 [0,0,0,0,0,0|3,0,0]=3 225 B12R0.234 CC(=O)CCCCOCCCCI 34a_200012148704_100009817362 [0,0,0,0,0,0|3,0,0]=3 226 B12R0.234 CC(=O)CCCCOCCCCN 34a_100000750430_100009817362 [0,0,0,0,0,0|3,0,0]=3 227 B12R0.234 CC(=O)CCCCSCCCC#N 62a_100000687738_100000735457 [0,0,0,0,0,0|3,0,1]=4 228 B12R0.234 CC(=O)CCCCSCCCC#N 62a_100000735457_100000687738 [0,0,0,0,0,0|3,0,1]=4 229 B12R0.234 CC(=O)CCCCSCCCC=O 62a_100000735457_200011292268 [0,0,0,0,0,0|3,0,1]=4 230 B12R0.234 CC(=O)CCCCSCCCC=O 62a_200011292268_100000735457 [0,0,0,0,0,0|3,0,1]=4 231 B12R0.234 CC(=O)CCCCSCCCCF 62a_100000729493_100000735457 [0,0,0,0,0,0|3,0,0]=3 232 B12R0.234 CC(=O)CCCCSCCCCF 62a_100000735457_100000729493 [0,0,0,0,0,0|3,0,0]=3 233 B12R0.234 CC(=O)CCCCSCCCCO 62a_100000210776_100000735457 [0,0,0,0,0,0|3,0,0]=3 234 B12R0.234 CC(=O)CCCCSCCCCO 62a_100000735457_100000210776 [0,0,0,0,0,0|3,0,0]=3 235 B12R0.234 CC(=O)CCCNCCCCCO 34a_100000762737_100000685027 [0,0,0,0,0,0|3,0,0]=3 236 B12R0.234 CC(=O)CCCNCCOCCO 34a_100000211614_100000685027 [0,0,0,0,0,0|4,0,0]=4 237 B12R0.234 CC(=O)CCCOCCCCC#N 7a_100000759063_100000211819 [0,0,0,0,0,0|3,0,1]=4 238 B12R0.234 CC(=O)CCCOCCCCC=O 7a_100000759063_100000139335 [0,0,0,0,0,0|3,0,1]=4 239 B12R0.234 CC(=O)CCCOCCCCCBr 34a_100000746331_100000685027 [0,0,0,0,0,0|3,0,0]=3 240 B12R0.234 CC(=O)CCCOCCCCCBr 7a_100000746331_100011215641 [0,0,0,0,0,0|3,0,0]=3 241 B12R0.234 CC(=O)CCCOCCCCCCl 34a_100000746330_100000685027 [0,0,0,0,0,0|3,0,0]=3 242 B12R0.234 CC(=O)CCCOCCCCCCl 7a_100000746330_100011215641 [0,0,0,0,0,0|3,0,0]=3 243 B12R0.234 CC(=O)CCCOCCCCCF 34a_100000759063_100000729378 [0,0,0,0,0,0|3,0,0]=3 244 B12R0.234 CC(=O)CCCOCCCCCF 7a_100000759063_100000729378 [0,0,0,0,0,0|3,0,0]=3 245 B12R0.234 CC(=O)CCCOCCCCCI 34a_200012148887_100000685027 [0,0,0,0,0,0|3,0,0]=3 246 B12R0.234 CC(=O)CCCOCCCCCI 7a_200012148887_100011215641 [0,0,0,0,0,0|3,0,0]=3 247 B12R0.234 CC(=O)CCCOCCCCCN 34a_100000762737_100000685027 [0,0,0,0,0,0|3,0,0]=3 248 B12R0.234 CC(=O)CCCOCCCCCO 34a_100000759063_100000746330 [0,0,0,0,0,0|3,0,0]=3 249 B12R0.234 CC(=O)CCCOCCCCCO 7a_100000759063_100000746330 [0,0,0,0,0,0|3,0,0]=3 250 B12R0.234 CC(=O)CCCOCCOCCBr 34a_100000692535_100000685027 [0,0,0,0,0,0|4,0,0]=4 251 B12R0.234 CC(=O)CCCOCCOCCBr 7a_100000692535_100011215641 [0,0,0,0,0,0|4,0,0]=4 252 B12R0.234 CC(=O)CCCOCCOCCCl 34a_100011215305_100000685027 [0,0,0,0,0,0|4,0,0]=4 253 B12R0.234 CC(=O)CCCOCCOCCCl 7a_100011215305_100011215641 [0,0,0,0,0,0|4,0,0]=4 254 B12R0.234 CC(=O)CCCOCCOCCF 34a_200015357709_100000685027 [0,0,0,0,0,0|4,0,0]=4 255 B12R0.234 CC(=O)CCCOCCOCCF 7a_200015357709_100011215641 [0,0,0,0,0,0|4,0,0]=4 256 B12R0.234 CC(=O)CCCOCCOCCI 34a_100012149058_100000685027 [0,0,0,0,0,0|4,0,0]=4 257 B12R0.234 CC(=O)CCCOCCOCCI 7a_100012149058_100011215641 [0,0,0,0,0,0|4,0,0]=4 258 B12R0.234 CC(=O)CCCOCCOCCN 34a_100000211614_100000685027 [0,0,0,0,0,0|4,0,0]=4 259 B12R0.234 CC(=O)CCCOCCOCCO 34a_100000759063_100000692535 [0,0,0,0,0,0|4,0,0]=4 260 B12R0.234 CC(=O)CCCOCCOCCO 7a_100000759063_100011215305 [0,0,0,0,0,0|4,0,0]=4 261 B12R0.234 CC(=O)CCCSCCCCC#N 62a_100011215641_100000211819 [0,0,0,0,0,0|3,0,1]=4 262 B12R0.234 CC(=O)CCCSCCCCC#N 62a_100011219923_100011215641 [0,0,0,0,0,0|3,0,1]=4 263 B12R0.234 CC(=O)CCCSCCCCC=O 62a_100000139335_100011215641 [0,0,0,0,0,0|3,0,1]=4 264 B12R0.234 CC(=O)CCCSCCCCC=O 62a_100011215641_100000139335 [0,0,0,0,0,0|3,0,1]=4 265 B12R0.234 CC(=O)CCCSCCCCCF 62a_100000729378_100011215641 [0,0,0,0,0,0|3,0,0]=3 266 B12R0.234 CC(=O)CCCSCCCCCF 62a_100011215641_100000729378 [0,0,0,0,0,0|3,0,0]=3 267 B12R0.234 CC(=O)CCCSCCCCCO 62a_100000746330_100011215641 [0,0,0,0,0,0|3,0,0]=3 268 B12R0.234 CC(=O)CCCSCCCCCO 62a_100011215641_100000746330 [0,0,0,0,0,0|3,0,0]=3 269 B12R0.234 CC(=O)CCCSCCOCCO 62a_100011215305_100011215641 [0,0,0,0,0,0|4,0,0]=4 270 B12R0.234 CC(=O)CCCSCCOCCO 62a_100011215641_100011215305 [0,0,0,0,0,0|4,0,0]=4 271 B12R0.234 CC(=O)CCOCCCCCC#N 7a_100000759926_100009813376 [0,0,0,0,0,0|3,0,1]=4 272 B12R0.234 CC(=O)CCOCCCCCC=O 7a_100000759926_100000139337 [0,0,0,0,0,0|3,0,1]=4 273 B12R0.234 CC(=O)CCOCCCCCCBr 7a_100011215345_100000053229 [0,0,0,0,0,0|3,0,0]=3 274 B12R0.234 CC(=O)CCOCCCCCCCl 7a_100000766143_100000053229 [0,0,0,0,0,0|3,0,0]=3 275 B12R0.234 CC(=O)CCOCCCCCCF 34a_100000759926_100015922095 [0,0,0,0,0,0|3,0,0]=3 276 B12R0.234 CC(=O)CCOCCCCCCF 7a_100000732779_100000053229 [0,0,0,0,0,0|3,0,0]=3 277 B12R0.234 CC(=O)CCOCCCCCCF 7a_100000759926_100015922095 [0,0,0,0,0,0|3,0,0]=3 278 B12R0.234 CC(=O)CCOCCCCCCO 34a_100000759926_100000766143 [0,0,0,0,0,0|3,0,0]=3 279 B12R0.234 CC(=O)CCOCCCCCCO 7a_100000759926_100000766143 [0,0,0,0,0,0|3,0,0]=3 280 B12R0.234 CC(=O)CCSCCCCCC#N 62a_100000053229_100009813376 [0,0,0,0,0,0|3,0,1]=4 281 B12R0.234 CC(=O)CCSCCCCCC#N 62a_100009813376_100000053229 [0,0,0,0,0,0|3,0,1]=4 282 B12R0.234 CC(=O)CCSCCCCCC=O 62a_100000053229_100000139337 [0,0,0,0,0,0|3,0,1]=4 283 B12R0.234 CC(=O)CCSCCCCCC=O 62a_100000139337_100000053229 [0,0,0,0,0,0|3,0,1]=4 284 B12R0.234 CC(=O)CCSCCCCCCF 62a_100000053229_100015922095 [0,0,0,0,0,0|3,0,0]=3 285 B12R0.234 CC(=O)CCSCCCCCCF 62a_100015922095_100000053229 [0,0,0,0,0,0|3,0,0]=3 286 B12R0.234 CC(=O)CCSCCCCCCO 62a_100000053229_100000766143 [0,0,0,0,0,0|3,0,0]=3 287 B12R0.234 CC(=O)CCSCCCCCCO 62a_100000766143_100000053229 [0,0,0,0,0,0|3,0,0]=3 288 B12R0.234 CC(=O)COCCCCCCCO 34a_100000211253_100000760002 [0,0,0,0,0,0|3,0,0]=3 289 B12R0.234 CC(=O)NCCCCCCCCO 240690a_102515433106_100015343762 [0,0,0,0,0,0|3,0,0]=3 290 B12R0.234 CC(=O)NCCCCCCNCF 34a_200011996284_100015361967 [0,0,0,0,0,0|4,0,0]=4 291 B12R0.234 CC(=O)NCCCCCNCCF 2230a_200012022750_100011217306 [0,0,0,0,0,0|4,0,0]=4 292 B12R0.234 CC(=O)NCCCCCNCCF 34a_200012022750_100011217306 [0,0,0,0,0,0|4,0,0]=4 293 B12R0.234 CC(=O)NCCCCCNCCO 2230a_200012022750_100000211926 [0,0,0,0,0,0|4,0,0]=4 294 B12R0.234 CC(=O)NCCCCCNCCO 34a_200012022750_100000211926 [0,0,0,0,0,0|4,0,0]=4 295 B12R0.234 CC(=O)NCCCCNCCCF 2230a_200011368371_100011934791 [0,0,0,0,0,0|4,0,0]=4 296 B12R0.234 CC(=O)NCCCCNCCCF 34a_200011368371_100011934791 [0,0,0,0,0,0|4,0,0]=4 297 B12R0.234 CC(=O)NCCCCNCCCO 2230a_200011368371_100000230001 [0,0,0,0,0,0|4,0,0]=4 298 B12R0.234 CC(=O)NCCCCNCCCO 34a_200011368371_100000230001 [0,0,0,0,0,0|4,0,0]=4 299 B12R0.234 CC(=O)NCCCNCCCCF 34a_100000736810_100000729493 [0,0,0,0,0,0|4,0,0]=4 300 B12R0.234 CC(=O)NCCCNCCCCO 34a_100000736810_100011216708 [0,0,0,0,0,0|4,0,0]=4 301 B12R0.234 CC(=O)NCCCOCCCCF 34a_100000752032_100000729493 [0,0,0,0,0,0|4,0,0]=4 302 B12R0.234 CC(=O)NCCCOCCCCO 34a_100000752032_100011216708 [0,0,0,0,0,0|4,0,0]=4 303 B12R0.234 CC(=O)NCCNCCCCCF 2230a_100000209853_100000729378 [0,0,0,0,0,0|4,0,0]=4 304 B12R0.234 CC(=O)NCCNCCCCCO 2230a_100000209853_100000746330 [0,0,0,0,0,0|4,0,0]=4 305 B12R0.234 CC(=O)NCCNCCCCCO 2230a_100000762737_100000189650 [0,0,0,0,0,0|4,0,0]=4 306 B12R0.234 CC(=O)NCCOCCCCCBr 7a_100000746331_100000189650 [0,0,0,0,0,0|4,0,0]=4 307 B12R0.234 CC(=O)NCCOCCCCCCl 7a_100000746330_100000189650 [0,0,0,0,0,0|4,0,0]=4 308 B12R0.234 CC(=O)NCCOCCCCCF 34a_100000158858_100000729378 [0,0,0,0,0,0|4,0,0]=4 309 B12R0.234 CC(=O)NCCOCCCCCI 7a_200012148887_100000189650 [0,0,0,0,0,0|4,0,0]=4 310 B12R0.234 CC(=O)NCCOCCCCCO 34a_100000158858_100000746330 [0,0,0,0,0,0|4,0,0]=4 311 B12R0.234 CC(=O)NCCSCCCCCF 62a_100000189650_100000729378 [0,0,0,0,0,0|4,0,0]=4 312 B12R0.234 CC(=O)NCCSCCCCCF 62a_100000729378_100000189650 [0,0,0,0,0,0|4,0,0]=4 313 B12R0.234 CC(=O)NCCSCCCCCO 62a_100000189650_100000746330 [0,0,0,0,0,0|4,0,0]=4 314 B12R0.234 CC(=O)NCCSCCCCCO 62a_100000746330_100000189650 [0,0,0,0,0,0|4,0,0]=4 315 B12R0.234 CC(=O)OCCCCCNCCF 34a_100000724931_100000033007 [0,0,0,0,0,0|4,0,0]=4 316 B12R0.234 CC(=O)OCCCCCNCCO 2230a_100016997473_100009813381 [0,0,0,0,0,0|4,0,0]=4 317 B12R0.234 CC(=O)OCCCCCNCCO 34a_100016990907_100000033007 [0,0,0,0,0,0|4,0,0]=4 318 B12R0.234 CC(=O)OCCCCCOCCBr 34a_100000211926_100000033007 [0,0,0,0,0,0|4,0,0]=4 319 B12R0.234 CC(=O)OCCCCCOCCN 34a_100000210304_100000033007 [0,0,0,0,0,0|4,0,0]=4 320 B12R0.234 CC(=O)OCCCCCSCCF 62a_100000033007_100011217306 [0,0,0,0,0,0|4,0,0]=4 321 B12R0.234 CC(=O)OCCCCCSCCF 62a_100011217306_100000033007 [0,0,0,0,0,0|4,0,0]=4 322 B12R0.234 CC(=O)OCCCCCSCCO 62a_100000033007_100000211926 [0,0,0,0,0,0|4,0,0]=4 323 B12R0.234 CC(=O)OCCCCCSCCO 62a_100000211926_100000033007 [0,0,0,0,0,0|4,0,0]=4 324 B12R0.234 CC(=O)OCCCCNCCCF 34a_100015189416_100000033659 [0,0,0,0,0,0|4,0,0]=4 325 B12R0.234 CC(=O)OCCCCOCCCBr 34a_100011217188_100000033659 [0,0,0,0,0,0|4,0,0]=4 326 B12R0.234 CC(=O)OCCCCOCCCCl 34a_100000230001_100000033659 [0,0,0,0,0,0|4,0,0]=4 327 B12R0.234 CC(=O)OCCCCOCCCF 34a_100000073216_100011934791 [0,0,0,0,0,0|4,0,0]=4 328 B12R0.234 CC(=O)OCCCCOCCCF 34a_100000759539_100000033659 [0,0,0,0,0,0|4,0,0]=4 329 B12R0.234 CC(=O)OCCCCOCCCF 7a_100000073216_100011934791 [0,0,0,0,0,0|4,0,0]=4 330 B12R0.234 CC(=O)OCCCCOCCCN 34a_100000182051_100000033659 [0,0,0,0,0,0|4,0,0]=4 331 B12R0.234 CC(=O)OCCCCOCCCO 34a_100000073216_100000230001 [0,0,0,0,0,0|4,0,0]=4 332 B12R0.234 CC(=O)OCCCCOCCCO 7a_100000073216_100011215043 [0,0,0,0,0,0|4,0,0]=4 333 B12R0.234 CC(=O)OCCCCSCCCF 62a_100000033659_100011934791 [0,0,0,0,0,0|4,0,0]=4 334 B12R0.234 CC(=O)OCCCCSCCCF 62a_100011934791_100000033659 [0,0,0,0,0,0|4,0,0]=4 335 B12R0.234 CC(=O)OCCCCSCCCO 62a_100000033659_100011215043 [0,0,0,0,0,0|4,0,0]=4 336 B12R0.234 CC(=O)OCCCCSCCCO 62a_100011215043_100000033659 [0,0,0,0,0,0|4,0,0]=4 337 B12R0.234 CC(=O)OCCCNCCCCO 34a_100000750430_100000042594 [0,0,0,0,0,0|4,0,0]=4 338 B12R0.234 CC(=O)OCCCOCCCCBr 34a_100011216708_100000042594 [0,0,0,0,0,0|4,0,0]=4 339 B12R0.234 CC(=O)OCCCOCCCCCl 34a_100000210776_100000042594 [0,0,0,0,0,0|4,0,0]=4 340 B12R0.234 CC(=O)OCCCOCCCCCl 7a_100000210776_100000042594 [0,0,0,0,0,0|4,0,0]=4 341 B12R0.234 CC(=O)OCCCOCCCCF 34a_100011995726_100000042594 [0,0,0,0,0,0|4,0,0]=4 342 B12R0.234 CC(=O)OCCCOCCCCF 7a_100011995726_100000042594 [0,0,0,0,0,0|4,0,0]=4 343 B12R0.234 CC(=O)OCCCOCCCCI 34a_200012148704_100000042594 [0,0,0,0,0,0|4,0,0]=4 344 B12R0.234 CC(=O)OCCCOCCCCN 34a_100000750430_100000042594 [0,0,0,0,0,0|4,0,0]=4 345 B12R0.234 CC(=O)OCCCSCCCCF 62a_100000042594_100000729493 [0,0,0,0,0,0|4,0,0]=4 346 B12R0.234 CC(=O)OCCCSCCCCF 62a_100000729493_100000042594 [0,0,0,0,0,0|4,0,0]=4 347 B12R0.234 CC(=O)OCCCSCCCCO 62a_100000042594_100000210776 [0,0,0,0,0,0|4,0,0]=4 348 B12R0.234 CC(=O)OCCCSCCCCO 62a_100000210776_100000042594 [0,0,0,0,0,0|4,0,0]=4 349 B12R0.234 CC(=O)OCCNCCCCCO 34a_100000762737_100009814007 [0,0,0,0,0,0|4,0,0]=4 350 B12R0.234 CC(=O)OCCOCCCCCBr 34a_100000746331_100009814007 [0,0,0,0,0,0|4,0,0]=4 351 B12R0.234 CC(=O)OCCOCCCCCBr 7a_100000746331_100009814007 [0,0,0,0,0,0|4,0,0]=4 352 B12R0.234 CC(=O)OCCOCCCCCCl 34a_100000746330_100009814007 [0,0,0,0,0,0|4,0,0]=4 353 B12R0.234 CC(=O)OCCOCCCCCCl 7a_100000746330_100009814007 [0,0,0,0,0,0|4,0,0]=4 354 B12R0.234 CC(=O)OCCOCCCCCI 34a_200012148887_100009814007 [0,0,0,0,0,0|4,0,0]=4 355 B12R0.234 CC(=O)OCCOCCCCCI 7a_200012148887_100009814007 [0,0,0,0,0,0|4,0,0]=4 356 B12R0.234 CC(=O)OCCOCCCCCN 34a_100000762737_100009814007 [0,0,0,0,0,0|4,0,0]=4 357 B12R0.234 CC(=O)OCCSCCCCCF 62a_100000729378_100009814007 [0,0,0,0,0,0|4,0,0]=4 358 B12R0.234 CC(=O)OCCSCCCCCF 62a_100009814007_100000729378 [0,0,0,0,0,0|4,0,0]=4 359 B12R0.234 CC(=O)OCCSCCCCCO 62a_100000746330_100009814007 [0,0,0,0,0,0|4,0,0]=4 360 B12R0.234 CC(=O)OCCSCCCCCO 62a_100009814007_100000746330 [0,0,0,0,0,0|4,0,0]=4 361 B12R0.234 CC(=O)OCNCCCCCCO 34a_100000686447_100009813279 [0,0,0,0,0,0|4,0,0]=4 362 B12R0.234 CC(=O)OCOCCCCCCBr 34a_100011215345_100009813279 [0,0,0,0,0,0|4,0,0]=4 363 B12R0.234 CC(=O)OCOCCCCCCCl 34a_100000766143_100009813279 [0,0,0,0,0,0|4,0,0]=4 364 B12R0.234 CC(=O)OCOCCCCCCF 34a_100000732779_100009813279 [0,0,0,0,0,0|4,0,0]=4 365 B12R0.234 CC(=O)OCOCCCCCCN 34a_100000686447_100009813279 [0,0,0,0,0,0|4,0,0]=4 366 B12R0.234 CC(=O)OCSCCCCCCF 62a_100000076356_100015922095 [0,0,0,0,0,0|4,0,0]=4 367 B12R0.234 CC(=O)OCSCCCCCCF 62a_100015922095_100000076356 [0,0,0,0,0,0|4,0,0]=4 368 B12R0.234 CC(=O)OCSCCCCCCO 62a_100000076356_100000766143 [0,0,0,0,0,0|4,0,0]=4 369 B12R0.234 CC(=O)OCSCCCCCCO 62a_100000766143_100000076356 [0,0,0,0,0,0|4,0,0]=4 370 B12R0.234 CC(=O)SCCCCNCCCF 2230a_100015189416_200010402107 [0,0,0,0,0,0|4,0,0]=4 371 B12R0.234 CC(=O)SCCCCNCCCF 34a_100015189416_200010402107 [0,0,0,0,0,0|4,0,0]=4 372 B12R0.234 CC(=O)SCCCCOCCCBr 34a_100011217188_200010402107 [0,0,0,0,0,0|4,0,0]=4 373 B12R0.234 CC(=O)SCCCCOCCCCl 34a_100000230001_200010402107 [0,0,0,0,0,0|4,0,0]=4 374 B12R0.234 CC(=O)SCCCCOCCCF 34a_100000759539_200010402107 [0,0,0,0,0,0|4,0,0]=4 375 B12R0.234 CC(=O)SCCCCOCCCN 34a_100000182051_200010402107 [0,0,0,0,0,0|4,0,0]=4 376 B12R0.234 CC(=O)SCCCCSCCCF 62a_100011934791_200010402107 [0,0,0,0,0,0|4,0,0]=4 377 B12R0.234 CC(=O)SCCCCSCCCF 62a_200010402107_100011934791 [0,0,0,0,0,0|4,0,0]=4 378 B12R0.234 CC(=O)SCCCCSCCCO 62a_100011215043_200010402107 [0,0,0,0,0,0|4,0,0]=4 379 B12R0.234 CC(=O)SCCCCSCCCO 62a_200010402107_100011215043 [0,0,0,0,0,0|4,0,0]=4 380 B12R0.234 CC(=O)SCCCNCCCCO 2230a_100000750430_100000038929 [0,0,0,0,0,0|4,0,0]=4 381 B12R0.234 CC(=O)SCCCNCCCCO 34a_100000750430_100000038929 [0,0,0,0,0,0|4,0,0]=4 382 B12R0.234 CC(=O)SCCCOCCCCBr 34a_100011216708_100000038929 [0,0,0,0,0,0|4,0,0]=4 383 B12R0.234 CC(=O)SCCCOCCCCCl 34a_100000210776_100000038929 [0,0,0,0,0,0|4,0,0]=4 384 B12R0.234 CC(=O)SCCCOCCCCCl 7a_100000210776_100000038929 [0,0,0,0,0,0|4,0,0]=4 385 B12R0.234 CC(=O)SCCCOCCCCF 34a_100011995726_100000038929 [0,0,0,0,0,0|4,0,0]=4 386 B12R0.234 CC(=O)SCCCOCCCCF 7a_100011995726_100000038929 [0,0,0,0,0,0|4,0,0]=4 387 B12R0.234 CC(=O)SCCCOCCCCI 34a_200012148704_100000038929 [0,0,0,0,0,0|4,0,0]=4 388 B12R0.234 CC(=O)SCCCOCCCCN 34a_100000750430_100000038929 [0,0,0,0,0,0|4,0,0]=4 389 B12R0.234 CC(=O)SCCCSCCCCF 62a_100000038929_100000729493 [0,0,0,0,0,0|4,0,0]=4 390 B12R0.234 CC(=O)SCCCSCCCCF 62a_100000729493_100000038929 [0,0,0,0,0,0|4,0,0]=4 391 B12R0.234 CC(=O)SCCCSCCCCO 62a_100000038929_100000210776 [0,0,0,0,0,0|4,0,0]=4 392 B12R0.234 CC(=O)SCCCSCCCCO 62a_100000210776_100000038929 [0,0,0,0,0,0|4,0,0]=4 393 B12R0.234 CC(O)CCCNCCCCCO 2230a_100000762737_200000718107 [0,0,0,0,0,0|3,0,1]=4 394 B12R0.234 CC(O)CCCNCCCCCO 34a_100000762737_200000718107 [0,0,0,0,0,0|3,0,1]=4 395 B12R0.234 CC(O)CCCOCCCCCBr 34a_100000746331_200000718107 [0,0,0,0,0,0|3,0,1]=4 396 B12R0.234 CC(O)CCCOCCCCCBr 7a_100000746331_200000718107 [0,0,0,0,0,0|3,0,1]=4 397 B12R0.234 CC(O)CCCOCCCCCCl 34a_100000746330_200000718107 [0,0,0,0,0,0|3,0,1]=4 398 B12R0.234 CC(O)CCCOCCCCCCl 7a_100000746330_200000718107 [0,0,0,0,0,0|3,0,1]=4 399 B12R0.234 CC(O)CCCOCCCCCI 34a_200012148887_200000718107 [0,0,0,0,0,0|3,0,1]=4 400 B12R0.234 CC(O)CCCOCCCCCI 7a_200012148887_200000718107 [0,0,0,0,0,0|3,0,1]=4 401 B12R0.234 CC(O)CCCOCCCCCN 34a_100000762737_200000718107 [0,0,0,0,0,0|3,0,1]=4 402 B12R0.234 CC(O)CCCSCCCCCF 62a_100000729378_200000718107 [0,0,0,0,0,0|3,0,1]=4 403 B12R0.234 CC(O)CCCSCCCCCF 62a_200000718107_100000729378 [0,0,0,0,0,0|3,0,1]=4 404 B12R0.234 CC(O)CCCSCCCCCO 62a_100000746330_200000718107 [0,0,0,0,0,0|3,0,1]=4 405 B12R0.234 CC(O)CCCSCCCCCO 62a_200000718107_100000746330 [0,0,0,0,0,0|3,0,1]=4 406 B12R0.234 CC(O)CCNCCCCCCF 2230a_200000755665_100015922095 [0,0,0,0,0,0|3,0,1]=4 407 B12R0.234 CC(O)CCNCCCCCCO 2230a_100000686447_100012276601 [0,0,0,0,0,0|3,0,1]=4 408 B12R0.234 CC(O)CCNCCCCCCO 2230a_200000755665_100000766143 [0,0,0,0,0,0|3,0,1]=4 409 B12R0.234 CC(O)CCNCCCCCCO 34a_100000686447_100012276601 [0,0,0,0,0,0|3,0,1]=4 410 B12R0.234 CC(O)CCOCCCCCCBr 34a_100011215345_100012276601 [0,0,0,0,0,0|3,0,1]=4 411 B12R0.234 CC(O)CCOCCCCCCBr 7a_100011215345_100012276601 [0,0,0,0,0,0|3,0,1]=4 412 B12R0.234 CC(O)CCOCCCCCCCl 34a_100000766143_100012276601 [0,0,0,0,0,0|3,0,1]=4 413 B12R0.234 CC(O)CCOCCCCCCCl 7a_100000766143_100012276601 [0,0,0,0,0,0|3,0,1]=4 414 B12R0.234 CC(O)CCOCCCCCCF 34a_100000732779_100012276601 [0,0,0,0,0,0|3,0,1]=4 415 B12R0.234 CC(O)CCOCCCCCCF 7a_100000732779_100012276601 [0,0,0,0,0,0|3,0,1]=4 416 B12R0.234 CC(O)CCOCCCCCCN 34a_100000686447_100012276601 [0,0,0,0,0,0|3,0,1]=4 417 B12R0.234 CC(O)CCSCCCCCCF 62a_100012276601_100015922095 [0,0,0,0,0,0|3,0,1]=4 418 B12R0.234 CC(O)CCSCCCCCCF 62a_100015922095_100012276601 [0,0,0,0,0,0|3,0,1]=4 419 B12R0.234 CC(O)CCSCCCCCCO 62a_100000766143_100012276601 [0,0,0,0,0,0|3,0,1]=4 420 B12R0.234 CC(O)CCSCCCCCCO 62a_100012276601_100000766143 [0,0,0,0,0,0|3,0,1]=4 421 B12R0.234 CC(O)CNCCCCCCCO 2230a_100000210904_100000760002 [0,0,0,0,0,0|3,0,1]=4 422 B12R0.234 CC(O)CNCCCCCCCO 2230a_100011996573_100011218427 [0,0,0,0,0,0|3,0,1]=4 423 B12R0.234 CC(O)CNCCCCCCCO 34a_100000210904_100000760002 [0,0,0,0,0,0|3,0,1]=4 424 B12R0.234 CC(O)CNCCCCCCCO 34a_100011996573_100011218427 [0,0,0,0,0,0|3,0,1]=4 425 B12R0.234 CC(O)COCCCCCCCBr 34a_100000760002_100011218427 [0,0,0,0,0,0|3,0,1]=4 426 B12R0.234 CC(O)COCCCCCCCBr 7a_100000760002_100011218427 [0,0,0,0,0,0|3,0,1]=4 427 B12R0.234 CC(O)COCCCCCCCN 34a_100011996573_100011218427 [0,0,0,0,0,0|3,0,1]=4 428 B12R0.234 CC(O)CSCCCCCCCO 62a_100000760002_100011218427 [0,0,0,0,0,0|3,0,1]=4 429 B12R0.234 CC(O)CSCCCCCCCO 62a_100011218427_100000760002 [0,0,0,0,0,0|3,0,1]=4 430 B12R0.234 CC/C=C/CCCOCCC(=O)C 7a_100016287902_100000053229 [0,0,0,0,0,0|2,0,2]=4 431 B12R0.234 CC/C=C/CCCOCCC(=O)N 34a_100016287902_100000731001 [0,0,0,0,0,0|2,0,2]=4 432 B12R0.234 CC/C=C/CCCOCCC(=O)N 7a_100016287902_100000744528 [0,0,0,0,0,0|2,0,2]=4 433 B12R0.234 CC/C=C\CCCCOCC(=O)N 34a_100016287862_100000187820 [0,0,0,0,0,0|2,0,2]=4 434 B12R0.234 CC/C=C\CCCCOCC(=O)N 7a_100016287862_100000187820 [0,0,0,0,0,0|2,0,2]=4 435 B12R0.234 CC/C=C\CCCCOCC(=O)[O-] 34a_100016287862_100020667443 [0,0,0,0,0,0|1,0,3]=4 436 B12R0.234 CC/C=C\CCNCCCC(=O)N 34a_100000739312_100015370543 [0,0,0,0,0,0|2,0,2]=4 437 B12R0.234 CC/C=C\CCOCCCC(=O)C 34a_100000759063_100015370543 [0,0,0,0,0,0|2,0,2]=4 438 B12R0.234 CC/C=C\CCOCCCC(=O)C 34a_100016288707_100000685027 [0,0,0,0,0,0|2,0,2]=4 439 B12R0.234 CC/C=C\CCOCCCC(=O)C 7a_100000759063_100015370543 [0,0,0,0,0,0|2,0,2]=4 440 B12R0.234 CC/C=C\CCOCCCC(=O)C 7a_100016288707_100011215641 [0,0,0,0,0,0|2,0,2]=4 441 B12R0.234 CC/C=C\CCOCCCC(=O)N 34a_100016288707_100102525003 [0,0,0,0,0,0|2,0,2]=4 442 B12R0.234 CC/C=C\CCOCCCC(=O)N 7a_100016288707_100102525003 [0,0,0,0,0,0|2,0,2]=4 443 B12R0.234 CC/C=C\CCSCCCC(=O)C 62a_100011215641_100015370543 [0,0,0,0,0,0|2,0,2]=4 444 B12R0.234 CC/C=C\CCSCCCC(=O)C 62a_100015370543_100011215641 [0,0,0,0,0,0|2,0,2]=4 445 B12R0.234 CC/C=C\CCSCCCC(=O)N 62a_100015370543_100102525003 [0,0,0,0,0,0|2,0,2]=4 446 B12R0.234 CC/C=C\CCSCCCC(=O)N 62a_100102525003_100015370543 [0,0,0,0,0,0|2,0,2]=4 447 B12R0.234 CC/C=C\CNCCCCC(=O)N 34a_100000696515_100103147603 [0,0,0,0,0,0|2,0,2]=4 448 B12R0.234 CC/C=C\CNCCOCC(=O)O 269956a_100000700818_100103147603 [0,0,0,0,0,0|2,0,2]=4 449 B12R0.234 CC/C=C\COCCCCC(=O)C 34a_100016268518_100009817362 [0,0,0,0,0,0|2,0,2]=4 450 B12R0.234 CC/C=C\COCCCCC(=O)N 34a_100012022536_100103147603 [0,0,0,0,0,0|2,0,2]=4 451 B12R0.234 CC/C=C\COCCCCC(=O)N 7a_100012022536_100103147603 [0,0,0,0,0,0|2,0,2]=4 452 B12R0.234 CC/C=C\CSCCCCC(=O)C 62a_100000735457_100103147603 [0,0,0,0,0,0|2,0,2]=4 453 B12R0.234 CC/C=C\CSCCCCC(=O)C 62a_100103147603_100000735457 [0,0,0,0,0,0|2,0,2]=4 454 B12R0.234 CC=CCCCOCCCC(=O)C 34a_100020645299_100000685027 [0,0,0,0,0,0|2,0,2]=4 455 B12R0.234 CC=CCCCOCCCC(=O)N 34a_100020645299_100102525003 [0,0,0,0,0,0|2,0,2]=4 456 B12R0.234 CC=CCOCCCCCC(=O)N 34a_100000123541_100000070051 [0,0,0,0,0,0|2,0,2]=4 457 B12R0.234 CC=CCOCCCCCC(=O)N 7a_100000123541_100000070051 [0,0,0,0,0,0|2,0,2]=4 458 B12R0.234 CC=CCOCCCCCC(=O)[O-] 7a_100102619762_100000070051 [0,0,0,0,0,0|1,0,3]=4 459 B12R0.234 CC=CCSCCCCCC(=O)N 62a_100000070051_100009817443 [0,0,0,0,0,0|2,0,2]=4 460 B12R0.234 CC=CCSCCCCCC(=O)N 62a_100009817443_100000070051 [0,0,0,0,0,0|2,0,2]=4 461 B12R0.234 CCC#CCCCCCCC(=O)C 1458a_100000070787_200000036426 [0,0,0,0,0,0|1,0,2]=3 462 B12R0.234 CCC#CCCOCCCC(=O)C 34a_100000036655_100000685027 [0,0,0,0,0,0|2,0,2]=4 463 B12R0.234 CCC#CCCOCCCC(=O)C 7a_100000036655_100011215641 [0,0,0,0,0,0|2,0,2]=4 464 B12R0.234 CCC#CCCOCCCC(=O)N 34a_100000036655_100102525003 [0,0,0,0,0,0|2,0,2]=4 465 B12R0.234 CCC#CCCOCCCC(=O)N 7a_100000036655_100102525003 [0,0,0,0,0,0|2,0,2]=4 466 B12R0.234 CCC#CCNCCCCC(=O)N 34a_100000696515_100009813939 [0,0,0,0,0,0|2,0,2]=4 467 B12R0.234 CCC#CCNCCOCC(=O)O 269956a_100000700818_100009813939 [0,0,0,0,0,0|2,0,2]=4 468 B12R0.234 CCC#CCOCCCCC(=O)C 34a_100000032950_100009817362 [0,0,0,0,0,0|2,0,2]=4 469 B12R0.234 CCC#CCOCCCCC(=O)N 34a_100012022536_100009813939 [0,0,0,0,0,0|2,0,2]=4 470 B12R0.234 CCC#CCOCCCCC(=O)N 7a_100012022536_100009813939 [0,0,0,0,0,0|2,0,2]=4 471 B12R0.234 CCC#CCSCCCCC(=O)C 62a_100000735457_100009813939 [0,0,0,0,0,0|2,0,2]=4 472 B12R0.234 CCC#CCSCCCCC(=O)C 62a_100009813939_100000735457 [0,0,0,0,0,0|2,0,2]=4 473 B12R0.234 CCC/C=C/COCCCC(=O)C 34a_100016278788_100000685027 [0,0,0,0,0,0|2,0,2]=4 474 B12R0.234 CCC/C=C/COCCCC(=O)C 7a_100016278788_100011215641 [0,0,0,0,0,0|2,0,2]=4 475 B12R0.234 CCC/C=C/COCCCC(=O)N 34a_100016278788_100102525003 [0,0,0,0,0,0|2,0,2]=4 476 B12R0.234 CCC/C=C/COCCCC(=O)N 7a_100016278788_100102525003 [0,0,0,0,0,0|2,0,2]=4 477 B12R0.234 CCCC#CCCOCCC(=O)C 7a_100000042726_100000053229 [0,0,0,0,0,0|2,0,2]=4 478 B12R0.234 CCCC#CCCOCCC(=O)N 34a_100000042726_100000731001 [0,0,0,0,0,0|2,0,2]=4 479 B12R0.234 CCCC#CCCOCCC(=O)N 7a_100000042726_100000744528 [0,0,0,0,0,0|2,0,2]=4 480 B12R0.234 CCCC#CCOCCCC(=O)C 34a_100000034806_100000685027 [0,0,0,0,0,0|2,0,2]=4 481 B12R0.234 CCCC#CCOCCCC(=O)C 7a_100000034806_100011215641 [0,0,0,0,0,0|2,0,2]=4 482 B12R0.234 CCCC#CCOCCCC(=O)N 34a_100000034806_100102525003 [0,0,0,0,0,0|2,0,2]=4 483 B12R0.234 CCCC#CCOCCCC(=O)N 7a_100000034806_100102525003 [0,0,0,0,0,0|2,0,2]=4 484 B12R0.234 CCCC/C=C/COCCC(=O)C 7a_200016272032_100000053229 [0,0,0,0,0,0|2,0,2]=4 485 B12R0.234 CCCC/C=C/COCCC(=O)N 34a_200016272032_100000731001 [0,0,0,0,0,0|2,0,2]=4 486 B12R0.234 CCCC/C=C/COCCC(=O)N 7a_200016272032_100000744528 [0,0,0,0,0,0|2,0,2]=4 487 B12R0.234 CCCC/C=C\CCOCC(=O)N 34a_200016286491_100000187820 [0,0,0,0,0,0|2,0,2]=4 488 B12R0.234 CCCC/C=C\CCOCC(=O)N 7a_200016286491_100000187820 [0,0,0,0,0,0|2,0,2]=4 489 B12R0.234 CCCC/C=C\CCOCC(=O)[O-] 34a_200016286491_100020667443 [0,0,0,0,0,0|1,0,3]=4 490 B12R0.234 CCCCC#CCCOCC(=O)N 34a_100000037610_100000187820 [0,0,0,0,0,0|2,0,2]=4 491 B12R0.234 CCCCC#CCCOCC(=O)N 7a_100000037610_100000187820 [0,0,0,0,0,0|2,0,2]=4 492 B12R0.234 CCCCC#CCCOCC(=O)[O-] 34a_100000037610_100020667443 [0,0,0,0,0,0|1,0,3]=4 493 B12R0.234 CCCCC#CCOCCC(=O)C 7a_200000034558_100000053229 [0,0,0,0,0,0|2,0,2]=4 494 B12R0.234 CCCCC#CCOCCC(=O)N 34a_200000034558_100000731001 [0,0,0,0,0,0|2,0,2]=4 495 B12R0.234 CCCCC#CCOCCC(=O)N 7a_200000034558_100000744528 [0,0,0,0,0,0|2,0,2]=4 496 B12R0.234 CCCCC/C=C/COCC(=O)N 34a_100016258190_100000187820 [0,0,0,0,0,0|2,0,2]=4 497 B12R0.234 CCCCC/C=C/COCC(=O)N 7a_100016258190_100000187820 [0,0,0,0,0,0|2,0,2]=4 498 B12R0.234 CCCCC/C=C/COCC(=O)[O-] 34a_100016258190_100020667443 [0,0,0,0,0,0|1,0,3]=4 499 B12R0.234 CCCCCC#CCNCC(=O)N 2230a_100000711301_100009816472 [0,0,0,0,0,0|2,0,2]=4 500 B12R0.234 CCCCCC#CCNCC(=O)O 269956a_100016091260_100009816472 [0,0,0,0,0,0|1,0,2]=3 501 B12R0.234 CCCCCC#CCOCC(=O)C 34a_100000211253_100009816472 [0,0,0,0,0,0|2,0,2]=4 502 B12R0.234 CCCCCC#CCOCC(=O)N 34a_200000033628_100000187820 [0,0,0,0,0,0|2,0,2]=4 503 B12R0.234 CCCCCC#CCOCC(=O)N 7a_200000033628_100000187820 [0,0,0,0,0,0|2,0,2]=4 504 B12R0.234 CCCCCC#CCOCC(=O)[O-] 34a_200000033628_100020667443 [0,0,0,0,0,0|1,0,3]=4 505 B12R0.234 CCCCCC#CCSCC(=O)N 62a_100000747473_100009816472 [0,0,0,0,0,0|2,0,2]=4 506 B12R0.234 CCCCCC#CCSCC(=O)N 62a_100009816472_100000747473 [0,0,0,0,0,0|2,0,2]=4 507 B12R0.234 CCCCCC#CCSCC(=O)[O-] 62a_100009816472_100020667443 [0,0,0,0,0,0|1,0,3]=4 508 B12R0.234 CCCCCC#CCSCC(=O)[O-] 62a_100020667443_100009816472 [0,0,0,0,0,0|1,0,3]=4 509 B12R0.234 CCCCCCCC=NNC(=O)C 4a_100000189765_100000210592 [0,0,0,0,0,0|3,0,1]=4 510 B12R0.234 CCCCCCCCC=CC(=O)C 1458a_100015345288_200000210301 [0,0,0,0,0,0|1,0,2]=3 511 B12R0.234 CCCCCCCCC=CC(=O)[13CH3] 1458a_100015345288_200025704644 [0,0,0,0,0,0|1,0,2]=3 512 B12R0.234 CCCCCCCCCCC(=O)C 1458a_100000070787_100000210319 [0,0,0,0,0,0|1,0,0]=1 513 B12R0.234 CCCCCCCCCCC(=O)C 1458a_100000210375_200000210301 [0,0,0,0,0,0|1,0,0]=1 514 B12R0.234 CCCCCCCCCCC(=O)[13CH3] 1458a_100000210375_200025704644 [0,0,0,0,0,0|1,0,0]=1 515 B12R0.234 CCCCCCCCCCN(C)C 2230a_100000207566_200000210301 [0,0,0,0,0,0|3,0,0]=3 516 B12R0.234 CCCCCCCCCCN(C)C 2230a_100102631434_100000210320 [0,0,0,0,0,0|3,0,0]=3 517 B12R0.234 CCCCCCCCCCN(C)C 269982a_100000207566_200000210301 [0,0,0,0,0,0|3,0,0]=3 518 B12R0.234 CCCCCCCCCCN(C)C 269982a_100102631434_100000210320 [0,0,0,0,0,0|3,0,0]=3 519 B12R0.234 CCCCCCCCCCN(C)[13CH3] 2230a_100000207566_200025704644 [0,0,0,0,0,0|3,0,0]=3 520 B12R0.234 CCCCCCCCCCN(C)[13CH3] 269982a_100000207566_200025704644 [0,0,0,0,0,0|3,0,0]=3 521 B12R0.234 CCCCCCCCCNC(=O)C 11a_100000212291_100015343762 [0,0,0,0,0,0|2,0,0]=2 522 B12R0.234 CCCCCCCCCNC(=O)C 1626a_100000212291_100015343762 [0,0,0,0,0,0|2,0,0]=2 523 B12R0.234 CCCCCCCCCNC(=O)C 240690a_100000212291_100015343762 [0,0,0,0,0,0|2,0,0]=2 524 B12R0.234 CCCCCCCCCNC(=O)C 527a_100000212291_100103153847 [0,0,0,0,0,0|2,0,0]=2 525 B12R0.234 CCCCCCCCCNC(C)C 2230a_100000212291_100000210206 [0,0,0,0,0,0|3,0,1]=4 526 B12R0.234 CCCCCCCCCNC(C)C 2230a_100138425928_100011214924 [0,0,0,0,0,0|3,0,1]=4 527 B12R0.234 CCCCCCCCCNC(C)C 34a_100000212291_100000210206 [0,0,0,0,0,0|3,0,1]=4 528 B12R0.234 CCCCCCCCCNC(C)C 34a_100138425928_100011214924 [0,0,0,0,0,0|3,0,1]=4 529 B12R0.234 CCCCCCCCCOC(C)C 34a_100000210712_100000210206 [0,0,0,0,0,0|3,0,1]=4 530 B12R0.234 CCCCCCCCCOC(C)C 34a_100000212225_100011214924 [0,0,0,0,0,0|3,0,1]=4 531 B12R0.234 CCCCCCCCCOC(C)C 7a_100000210712_100000210206 [0,0,0,0,0,0|3,0,1]=4 532 B12R0.234 CCCCCCCCCSC(C)C 62a_100000210206_100000210670 [0,0,0,0,0,0|3,0,1]=4 533 B12R0.234 CCCCCCCCNCC(=O)N 2230a_100000229939_100000747473 [0,0,0,0,0,0|2,0,0]=2 534 B12R0.234 CCCCCCCCNCC(=O)N 2230a_100000711301_100000210759 [0,0,0,0,0,0|2,0,0]=2 535 B12R0.234 CCCCCCCCNCC(=O)N 34a_100000229939_100000187820 [0,0,0,0,0,0|2,0,0]=2 536 B12R0.234 CCCCCCCCNCC(=O)O 269956a_100016091260_100000210759 [0,0,0,0,0,0|1,0,0]=1 537 B12R0.234 CCCCCCCCNCC(=O)[O-] 34a_100000229939_100020667443 [0,0,0,0,0,0|1,0,1]=2 538 B12R0.234 CCCCCCCCNCC(C)C 2230a_100000210953_100000210759 [0,0,0,0,0,0|3,0,1]=4 539 B12R0.234 CCCCCCCCNCC(C)C 2230a_100000229939_100000210760 [0,0,0,0,0,0|3,0,1]=4 540 B12R0.234 CCCCCCCCNCC(C)C 270004a_100000229939_100000210432 [0,0,0,0,0,0|3,0,1]=4 541 B12R0.234 CCCCCCCCNCC(C)C 34a_100000210953_100000210759 [0,0,0,0,0,0|3,0,1]=4 542 B12R0.234 CCCCCCCCNCC(C)C 34a_100000229939_100000210624 [0,0,0,0,0,0|3,0,1]=4 543 B12R0.234 CCCCCCCCNCC(C)O 2230a_100000210904_100000210759 [0,0,0,0,0,0|2,0,1]=3 544 B12R0.234 CCCCCCCCNCC(C)O 2230a_100000229939_100011218427 [0,0,0,0,0,0|2,0,1]=3 545 B12R0.234 CCCCCCCCNCC(C)O 34a_100000210904_100000210759 [0,0,0,0,0,0|2,0,1]=3 546 B12R0.234 CCCCCCCCNCC(C)O 34a_100000229939_100011218427 [0,0,0,0,0,0|2,0,1]=3 547 B12R0.234 CCCCCCCCNCC(F)F 2230a_100000229939_100011934356 [0,0,0,0,0,0|3,0,1]=4 548 B12R0.234 CCCCCCCCNCC(F)F 34a_100000229939_100011934356 [0,0,0,0,0,0|3,0,1]=4 549 B12R0.234 CCCCCCCCNCC(F)F 34a_100000765723_100000210759 [0,0,0,0,0,0|3,0,1]=4 550 B12R0.234 CCCCCCCCNC[C@@H](C)O 2230a_100000229939_100009817552 [0,0,0,0,0,0|2,0,1]=3 551 B12R0.234 CCCCCCCCNC[C@@H](C)O 34a_100000229939_100009817552 [0,0,0,0,0,0|2,0,1]=3 552 B12R0.234 CCCCCCCCNC[N+](=O)[O-] 34a_100000229939_100000761209 [0,0,0,0,0,0|2,0,1]=3 553 B12R0.234 CCCCCCCCOCC(=O)C 1458a_100000759886_200000210301 [0,0,0,0,0,0|2,0,0]=2 554 B12R0.234 CCCCCCCCOCC(=O)C 34a_100000211253_100000210759 [0,0,0,0,0,0|2,0,0]=2 555 B12R0.234 CCCCCCCCOCC(=O)N 34a_100000210232_100000187820 [0,0,0,0,0,0|2,0,0]=2 556 B12R0.234 CCCCCCCCOCC(=O)N 7a_100000210232_100000187820 [0,0,0,0,0,0|2,0,0]=2 557 B12R0.234 CCCCCCCCOCC(=O)[13CH3] 1458a_100000759886_200025704644 [0,0,0,0,0,0|2,0,0]=2 558 B12R0.234 CCCCCCCCOCC(=O)[O-] 34a_100000210232_100020667443 [0,0,0,0,0,0|1,0,1]=2 559 B12R0.234 CCCCCCCCOCC(C)Br 34a_100012180447_100000210759 [0,0,0,0,0,0|3,0,1]=4 560 B12R0.234 CCCCCCCCOCC(C)C 34a_100000210232_100000210624 [0,0,0,0,0,0|3,0,1]=4 561 B12R0.234 CCCCCCCCOCC(C)C 34a_100000210257_100000210759 [0,0,0,0,0,0|3,0,1]=4 562 B12R0.234 CCCCCCCCOCC(C)C 7a_100000210232_100000210760 [0,0,0,0,0,0|3,0,1]=4 563 B12R0.234 CCCCCCCCOCC(C)F 34a_100015925927_100000210759 [0,0,0,0,0,0|3,0,1]=4 564 B12R0.234 CCCCCCCCOCC(C)O 34a_100000210232_100011218427 [0,0,0,0,0,0|2,0,1]=3 565 B12R0.234 CCCCCCCCOCC(C)O 7a_100000210232_100011218427 [0,0,0,0,0,0|2,0,1]=3 566 B12R0.234 CCCCCCCCOCC(F)F 34a_100000210232_100011934356 [0,0,0,0,0,0|3,0,1]=4 567 B12R0.234 CCCCCCCCOCC(F)F 34a_100000743014_100000210759 [0,0,0,0,0,0|3,0,1]=4 568 B12R0.234 CCCCCCCCOCC(F)F 7a_100000210232_100011934356 [0,0,0,0,0,0|3,0,1]=4 569 B12R0.234 CCCCCCCCOC[C@@H](C)Cl 34a_100016084084_100000210759 [0,0,0,0,0,0|3,0,1]=4 570 B12R0.234 CCCCCCCCOC[C@@H](C)N 34a_100000737577_100000210759 [0,0,0,0,0,0|3,0,1]=4 571 B12R0.234 CCCCCCCCOC[C@@H](C)O 34a_100000210232_100009817552 [0,0,0,0,0,0|2,0,1]=3 572 B12R0.234 CCCCCCCCOC[C@@H](C)O 7a_100000210232_100009817552 [0,0,0,0,0,0|2,0,1]=3 573 B12R0.234 CCCCCCCCOC[N+](=O)[O-] 34a_100000210232_100000761209 [0,0,0,0,0,0|2,0,1]=3 574 B12R0.234 CCCCCCCCSCC(=O)N 62a_100000210759_100000747473 [0,0,0,0,0,0|2,0,0]=2 575 B12R0.234 CCCCCCCCSCC(=O)N 62a_100000747473_100000210317 [0,0,0,0,0,0|2,0,0]=2 576 B12R0.234 CCCCCCCCSCC(=O)[O-] 62a_100000210759_100020667443 [0,0,0,0,0,0|1,0,1]=2 577 B12R0.234 CCCCCCCCSCC(=O)[O-] 62a_100020667443_100000210317 [0,0,0,0,0,0|1,0,1]=2 578 B12R0.234 CCCCCCCCSCC(C)C 62a_100000210624_100000210317 [0,0,0,0,0,0|3,0,1]=4 579 B12R0.234 CCCCCCCCSCC(C)C 62a_100000210759_100000210760 [0,0,0,0,0,0|3,0,1]=4 580 B12R0.234 CCCCCCCCSCC(C)O 62a_100000210759_100011218427 [0,0,0,0,0,0|2,0,1]=3 581 B12R0.234 CCCCCCCCSCC(C)O 62a_100011218427_100000210317 [0,0,0,0,0,0|2,0,1]=3 582 B12R0.234 CCCCCCCCSCC(F)F 62a_100000210759_100011934356 [0,0,0,0,0,0|3,0,1]=4 583 B12R0.234 CCCCCCCCSCC(F)F 62a_100011934356_100000210317 [0,0,0,0,0,0|3,0,1]=4 584 B12R0.234 CCCCCCCCSC[C@@H](C)O 62a_100000210759_100009817552 [0,0,0,0,0,0|2,0,1]=3 585 B12R0.234 CCCCCCCCSC[C@@H](C)O 62a_100009817552_100000210317 [0,0,0,0,0,0|2,0,1]=3 586 B12R0.234 CCCCCCCCSC[N+](=O)[O-] 62a_100000210759_100000761209 [0,0,0,0,0,0|2,0,1]=3 587 B12R0.234 CCCCCCCNCC=C(C)C 2230a_100000229938_100000761012 [0,0,0,0,0,0|3,0,1]=4 588 B12R0.234 CCCCCCCNCC=C(C)C 34a_100000718196_100000210614 [0,0,0,0,0,0|3,0,1]=4 589 B12R0.234 CCCCCCCNCCC(=O)N 2230a_100000229938_100000744528 [0,0,0,0,0,0|2,0,0]=2 590 B12R0.234 CCCCCCCNCCC(C)C 2230a_100000229938_100000210312 [0,0,0,0,0,0|3,0,1]=4 591 B12R0.234 CCCCCCCNCCC(C)C 269862a_100000229938_100000185833 [0,0,0,0,0,0|3,0,1]=4 592 B12R0.234 CCCCCCCNCCC(C)O 2230a_100000229938_100012276601 [0,0,0,0,0,0|2,0,1]=3 593 B12R0.234 CCCCCCCNCCC(C)O 2230a_200000755665_100000210681 [0,0,0,0,0,0|2,0,1]=3 594 B12R0.234 CCCCCCCNOCC(=O)O 269956a_100000106656_100000210614 [0,0,0,0,0,0|2,0,0]=2 595 B12R0.234 CCCCCCCOCC=C(C)C 34a_100000210272_100000761012 [0,0,0,0,0,0|3,0,1]=4 596 B12R0.234 CCCCCCCOCC=C(C)C 34a_100000753907_100000210614 [0,0,0,0,0,0|3,0,1]=4 597 B12R0.234 CCCCCCCOCC=C(C)C 7a_100000210272_100000761012 [0,0,0,0,0,0|3,0,1]=4 598 B12R0.234 CCCCCCCOCCC(=O)C 34a_100000759926_100000210614 [0,0,0,0,0,0|2,0,0]=2 599 B12R0.234 CCCCCCCOCCC(=O)C 7a_100000210272_100000053229 [0,0,0,0,0,0|2,0,0]=2 600 B12R0.234 CCCCCCCOCCC(=O)C 7a_100000759926_100000210614 [0,0,0,0,0,0|2,0,0]=2 601 B12R0.234 CCCCCCCOCCC(=O)N 34a_100000210272_100000731001 [0,0,0,0,0,0|2,0,0]=2 602 B12R0.234 CCCCCCCOCCC(=O)N 34a_100000757172_100000210614 [0,0,0,0,0,0|2,0,0]=2 603 B12R0.234 CCCCCCCOCCC(=O)N 7a_100000210272_100000744528 [0,0,0,0,0,0|2,0,0]=2 604 B12R0.234 CCCCCCCOCCC(=O)N 7a_100000757172_100000210614 [0,0,0,0,0,0|2,0,0]=2 605 B12R0.234 CCCCCCCOCCC(C)Br 34a_100009893172_100000210614 [0,0,0,0,0,0|3,0,1]=4 606 B12R0.234 CCCCCCCOCCC(C)C 34a_100000210254_100000210614 [0,0,0,0,0,0|3,0,1]=4 607 B12R0.234 CCCCCCCOCCC(C)C 34a_100000210272_100000210312 [0,0,0,0,0,0|3,0,1]=4 608 B12R0.234 CCCCCCCOCCC(C)C 7a_100000210254_100000210614 [0,0,0,0,0,0|3,0,1]=4 609 B12R0.234 CCCCCCCOCCC(C)C 7a_100000210272_100000210626 [0,0,0,0,0,0|3,0,1]=4 610 B12R0.234 CCCCCCCOCCC(C)O 34a_100000210272_100012276601 [0,0,0,0,0,0|2,0,1]=3 611 B12R0.234 CCCCCCCOCCC(C)O 7a_100000210272_100012276601 [0,0,0,0,0,0|2,0,1]=3 612 B12R0.234 CCCCCCCOCCC(F)F 34a_100103093639_100000210614 [0,0,0,0,0,0|3,0,1]=4 613 B12R0.234 CCCCCCCOCCN(C)C 7a_100000210272_100000755713 [0,0,0,0,0,0|4,0,0]=4 614 B12R0.234 CCCCCCCOCC[C@@H](C)N 34a_100000706166_100000210614 [0,0,0,0,0,0|3,0,1]=4 615 B12R0.234 CCCCCCCOCOC(=O)C 34a_100000210272_100009813279 [0,0,0,0,0,0|3,0,0]=3 616 B12R0.234 CCCCCCCSCC=C(C)C 62a_100000210614_100000761012 [0,0,0,0,0,0|3,0,1]=4 617 B12R0.234 CCCCCCCSCC=C(C)C 62a_100000761012_100000210316 [0,0,0,0,0,0|3,0,1]=4 618 B12R0.234 CCCCCCCSCCC(=O)C 62a_100000053229_100000210316 [0,0,0,0,0,0|2,0,0]=2 619 B12R0.234 CCCCCCCSCCC(=O)C 62a_100000210614_100000053229 [0,0,0,0,0,0|2,0,0]=2 620 B12R0.234 CCCCCCCSCCC(=O)N 62a_100000210614_100000744528 [0,0,0,0,0,0|2,0,0]=2 621 B12R0.234 CCCCCCCSCCC(=O)N 62a_100000744528_100000210316 [0,0,0,0,0,0|2,0,0]=2 622 B12R0.234 CCCCCCCSCCC(C)C 62a_100000210312_100000210316 [0,0,0,0,0,0|3,0,1]=4 623 B12R0.234 CCCCCCCSCCC(C)C 62a_100000210614_100000210312 [0,0,0,0,0,0|3,0,1]=4 624 B12R0.234 CCCCCCCSCCC(C)O 62a_100000210614_100012276601 [0,0,0,0,0,0|2,0,1]=3 625 B12R0.234 CCCCCCCSCCC(C)O 62a_100012276601_100000210316 [0,0,0,0,0,0|2,0,1]=3 626 B12R0.234 CCCCCCCSCCN(C)C 62a_100000210614_100000755713 [0,0,0,0,0,0|4,0,0]=4 627 B12R0.234 CCCCCCCSCOC(=O)C 62a_100000076356_100000210316 [0,0,0,0,0,0|3,0,0]=3 628 B12R0.234 CCCCCCCSCOC(=O)C 62a_100000210614_100000076356 [0,0,0,0,0,0|3,0,0]=3 629 B12R0.234 CCCCCCNCCC=C(C)C 2230a_100000210581_100011217483 [0,0,0,0,0,0|3,0,1]=4 630 B12R0.234 CCCCCCNCCC=C(F)F 2230a_100000210581_200009816681 [0,0,0,0,0,0|3,0,1]=4 631 B12R0.234 CCCCCCNCCCC(=O)N 34a_100000739312_100000210314 [0,0,0,0,0,0|2,0,0]=2 632 B12R0.234 CCCCCCNCCCC(C)C 2230a_100000210581_100011214892 [0,0,0,0,0,0|3,0,1]=4 633 B12R0.234 CCCCCCNCCCC(C)C 2230a_200000737386_100000210314 [0,0,0,0,0,0|3,0,1]=4 634 B12R0.234 CCCCCCNCCCC(C)C 34a_200000737386_100000210314 [0,0,0,0,0,0|3,0,1]=4 635 B12R0.234 CCCCCCNCCCC(C)O 2230a_100000210581_200000718107 [0,0,0,0,0,0|2,0,1]=3 636 B12R0.234 CCCCCCNCCCS(=O)C 2230a_200000753449_100000210314 [0,0,0,0,0,0|3,0,0]=3 637 B12R0.234 CCCCCCNCCNC(=O)C 2230a_100000209853_100000210314 [0,0,0,0,0,0|3,0,0]=3 638 B12R0.234 CCCCCCNCCNC(=O)C 2230a_100000210581_100000189650 [0,0,0,0,0,0|3,0,0]=3 639 B12R0.234 CCCCCCNCCNC(=O)N 2230a_100000210581_200000034859 [0,0,0,0,0,0|3,0,0]=3 640 B12R0.234 CCCCCCNCCNC(=O)N 34a_100020590234_100000210314 [0,0,0,0,0,0|3,0,0]=3 641 B12R0.234 CCCCCCOCCC=C(C)C 34a_100000210259_100011217483 [0,0,0,0,0,0|3,0,1]=4 642 B12R0.234 CCCCCCOCCC=C(C)C 7a_100000210259_100011217483 [0,0,0,0,0,0|3,0,1]=4 643 B12R0.234 CCCCCCOCCC=C(F)F 34a_100000210259_200009816681 [0,0,0,0,0,0|3,0,1]=4 644 B12R0.234 CCCCCCOCCC=C(F)F 7a_100000210259_200009816681 [0,0,0,0,0,0|3,0,1]=4 645 B12R0.234 CCCCCCOCCCC(=O)C 34a_100000210259_100000685027 [0,0,0,0,0,0|2,0,0]=2 646 B12R0.234 CCCCCCOCCCC(=O)C 34a_100000759063_100000210314 [0,0,0,0,0,0|2,0,0]=2 647 B12R0.234 CCCCCCOCCCC(=O)C 7a_100000210259_100011215641 [0,0,0,0,0,0|2,0,0]=2 648 B12R0.234 CCCCCCOCCCC(=O)C 7a_100000759063_100000210314 [0,0,0,0,0,0|2,0,0]=2 649 B12R0.234 CCCCCCOCCCC(=O)N 34a_100000210259_100102525003 [0,0,0,0,0,0|2,0,0]=2 650 B12R0.234 CCCCCCOCCCC(=O)N 7a_100000210259_100102525003 [0,0,0,0,0,0|2,0,0]=2 651 B12R0.234 CCCCCCOCCCC(C)C 34a_100000210259_100011214892 [0,0,0,0,0,0|3,0,1]=4 652 B12R0.234 CCCCCCOCCCC(C)C 34a_100000210774_100000210314 [0,0,0,0,0,0|3,0,1]=4 653 B12R0.234 CCCCCCOCCCC(C)C 7a_100000210259_100011214892 [0,0,0,0,0,0|3,0,1]=4 654 B12R0.234 CCCCCCOCCCC(C)C 7a_100000210774_100000210314 [0,0,0,0,0,0|3,0,1]=4 655 B12R0.234 CCCCCCOCCCC(C)O 34a_100000210259_200000718107 [0,0,0,0,0,0|2,0,1]=3 656 B12R0.234 CCCCCCOCCCC(C)O 7a_100000210259_200000718107 [0,0,0,0,0,0|2,0,1]=3 657 B12R0.234 CCCCCCOCCCN(C)C 7a_100000210259_100000757444 [0,0,0,0,0,0|4,0,0]=4 658 B12R0.234 CCCCCCOCCC[N+](=O)[O-] 34a_200000037920_100000210314 [0,0,0,0,0,0|2,0,1]=3 659 B12R0.234 CCCCCCOCCNC(=O)C 34a_100000158858_100000210314 [0,0,0,0,0,0|3,0,0]=3 660 B12R0.234 CCCCCCOCCNC(=O)C 7a_100000210259_100000189650 [0,0,0,0,0,0|3,0,0]=3 661 B12R0.234 CCCCCCOCCNC(=O)N 34a_100000181757_100000210314 [0,0,0,0,0,0|3,0,0]=3 662 B12R0.234 CCCCCCOCCNC(=O)N 7a_100000210259_200000034859 [0,0,0,0,0,0|3,0,0]=3 663 B12R0.234 CCCCCCOCCOC(=O)C 34a_100000210259_100009814007 [0,0,0,0,0,0|3,0,0]=3 664 B12R0.234 CCCCCCOCCOC(=O)C 7a_100000210259_100009814007 [0,0,0,0,0,0|3,0,0]=3 665 B12R0.234 CCCCCCOCCOC(=O)N 34a_100000210259_200011214921 [0,0,0,0,0,0|3,0,0]=3 666 B12R0.234 CCCCCCOCCOC(=O)N 7a_100000210259_200011214921 [0,0,0,0,0,0|3,0,0]=3 667 B12R0.234 CCCCCCOCCOC(=O)N 7a_100000766696_100000210314 [0,0,0,0,0,0|3,0,0]=3 668 B12R0.234 CCCCCCSCCC=C(C)C 62a_100000210314_100011217483 [0,0,0,0,0,0|3,0,1]=4 669 B12R0.234 CCCCCCSCCC=C(C)C 62a_100011217483_100000210757 [0,0,0,0,0,0|3,0,1]=4 670 B12R0.234 CCCCCCSCCC=C(F)F 62a_100000210314_200009816681 [0,0,0,0,0,0|3,0,1]=4 671 B12R0.234 CCCCCCSCCC=C(F)F 62a_200009816681_100000210757 [0,0,0,0,0,0|3,0,1]=4 672 B12R0.234 CCCCCCSCCCC(=O)C 62a_100000210314_100011215641 [0,0,0,0,0,0|2,0,0]=2 673 B12R0.234 CCCCCCSCCCC(=O)C 62a_100011215641_100000210757 [0,0,0,0,0,0|2,0,0]=2 674 B12R0.234 CCCCCCSCCCC(=O)N 62a_100000210314_100102525003 [0,0,0,0,0,0|2,0,0]=2 675 B12R0.234 CCCCCCSCCCC(=O)N 62a_100102525003_100000210757 [0,0,0,0,0,0|2,0,0]=2 676 B12R0.234 CCCCCCSCCCC(C)C 62a_100000210314_100011214892 [0,0,0,0,0,0|3,0,1]=4 677 B12R0.234 CCCCCCSCCCC(C)C 62a_100011214892_100000210757 [0,0,0,0,0,0|3,0,1]=4 678 B12R0.234 CCCCCCSCCCC(C)O 62a_100000210314_200000718107 [0,0,0,0,0,0|2,0,1]=3 679 B12R0.234 CCCCCCSCCCC(C)O 62a_200000718107_100000210757 [0,0,0,0,0,0|2,0,1]=3 680 B12R0.234 CCCCCCSCCCN(C)C 62a_100000210314_100000757444 [0,0,0,0,0,0|4,0,0]=4 681 B12R0.234 CCCCCCSCCNC(=O)C 62a_100000189650_100000210757 [0,0,0,0,0,0|3,0,0]=3 682 B12R0.234 CCCCCCSCCNC(=O)C 62a_100000210314_100000189650 [0,0,0,0,0,0|3,0,0]=3 683 B12R0.234 CCCCCCSCCNC(=O)N 62a_100000210314_200000034859 [0,0,0,0,0,0|3,0,0]=3 684 B12R0.234 CCCCCCSCCNC(=O)N 62a_200000034859_100000210757 [0,0,0,0,0,0|3,0,0]=3 685 B12R0.234 CCCCCCSCCOC(=O)C 62a_100000210314_100009814007 [0,0,0,0,0,0|3,0,0]=3 686 B12R0.234 CCCCCCSCCOC(=O)C 62a_100009814007_100000210757 [0,0,0,0,0,0|3,0,0]=3 687 B12R0.234 CCCCCCSCCOC(=O)N 62a_100000210314_200011214921 [0,0,0,0,0,0|3,0,0]=3 688 B12R0.234 CCCCCCSCCOC(=O)N 62a_200011214921_100000210757 [0,0,0,0,0,0|3,0,0]=3 689 B12R0.234 CCCCCNCCCCB(O)O 2230a_100000209983_200009817182 [0,0,0,0,0,0|2,0,1]=3 690 B12R0.234 CCCCCNCCCCC(=O)N 34a_100000696515_100000718602 [0,0,0,0,0,0|2,0,0]=2 691 B12R0.234 CCCCCNCCCCC(C)C 2230a_100000209983_100011216152 [0,0,0,0,0,0|3,0,1]=4 692 B12R0.234 CCCCCNCCCNC(=O)C 34a_100000736810_100000718602 [0,0,0,0,0,0|3,0,0]=3 693 B12R0.234 CCCCCNCCCOC(=S)C 2230a_100000209983_200135323944 [0,0,0,0,0,0|3,1,0]=4 694 B12R0.234 CCCCCNCCCSC(=O)C 2230a_100000209983_100000038929 [0,0,0,0,0,0|3,0,0]=3 695 B12R0.234 CCCCCNCCOCC(=O)N 2230a_100000209983_100000076697 [0,0,0,0,0,0|3,0,0]=3 696 B12R0.234 CCCCCNCCOCC(=O)N 34a_100000224656_100000187820 [0,0,0,0,0,0|3,0,0]=3 697 B12R0.234 CCCCCNCCOCC(=O)O 269956a_100000700818_100000210326 [0,0,0,0,0,0|2,0,0]=2 698 B12R0.234 CCCCCNCCOCC(=O)[O-] 34a_100000224656_100020667443 [0,0,0,0,0,0|2,0,1]=3 699 B12R0.234 CCCCCNCCOCC(C)O 34a_100000224656_100011218427 [0,0,0,0,0,0|3,0,1]=4 700 B12R0.234 CCCCCNCCOC[C@@H](C)O 34a_100000224656_100009817552 [0,0,0,0,0,0|3,0,1]=4 701 B12R0.234 CCCCCNCCOC[N+](=O)[O-] 34a_100000224656_100000761209 [0,0,0,0,0,0|3,0,1]=4 702 B12R0.234 CCCCCOCCCCB(O)O 34a_100000210253_200009817182 [0,0,0,0,0,0|2,0,1]=3 703 B12R0.234 CCCCCOCCCCB(O)O 7a_100000210253_200009817182 [0,0,0,0,0,0|2,0,1]=3 704 B12R0.234 CCCCCOCCCCC(=O)C 34a_100000210253_100009817362 [0,0,0,0,0,0|2,0,0]=2 705 B12R0.234 CCCCCOCCCCC(=O)C 7a_100000210253_100000735457 [0,0,0,0,0,0|2,0,0]=2 706 B12R0.234 CCCCCOCCCCC(=O)N 34a_100012022536_100000718602 [0,0,0,0,0,0|2,0,0]=2 707 B12R0.234 CCCCCOCCCCC(=O)N 7a_100012022536_100000210326 [0,0,0,0,0,0|2,0,0]=2 708 B12R0.234 CCCCCOCCCCC(C)C 34a_100000210253_100011216152 [0,0,0,0,0,0|3,0,1]=4 709 B12R0.234 CCCCCOCCCCC(C)C 34a_100011214890_100000718602 [0,0,0,0,0,0|3,0,1]=4 710 B12R0.234 CCCCCOCCCCC(C)C 7a_100000210253_100011216152 [0,0,0,0,0,0|3,0,1]=4 711 B12R0.234 CCCCCOCCCCC(C)C 7a_100011214890_100000210326 [0,0,0,0,0,0|3,0,1]=4 712 B12R0.234 CCCCCOCCCC[N+](=O)[O-] 34a_200015379883_100000718602 [0,0,0,0,0,0|2,0,1]=3 713 B12R0.234 CCCCCOCCCC[N+](=O)[O-] 7a_200015379883_100000210326 [0,0,0,0,0,0|2,0,1]=3 714 B12R0.234 CCCCCOCCCNC(=O)C 34a_100000752032_100000718602 [0,0,0,0,0,0|3,0,0]=3 715 B12R0.234 CCCCCOCCCOC(=O)C 34a_100000210253_100000042594 [0,0,0,0,0,0|3,0,0]=3 716 B12R0.234 CCCCCOCCCOC(=O)C 7a_100000210253_100000042594 [0,0,0,0,0,0|3,0,0]=3 717 B12R0.234 CCCCCOCCCOC(=S)C 34a_100000210253_200135323944 [0,0,0,0,0,0|3,1,0]=4 718 B12R0.234 CCCCCOCCCOC(=S)C 7a_100000210253_200135323944 [0,0,0,0,0,0|3,1,0]=4 719 B12R0.234 CCCCCOCCCSC(=O)C 34a_100000210253_100000038929 [0,0,0,0,0,0|3,0,0]=3 720 B12R0.234 CCCCCOCCCSC(=O)C 7a_100000210253_100000038929 [0,0,0,0,0,0|3,0,0]=3 721 B12R0.234 CCCCCOCCOCC(=O)N 34a_100000210253_100000076697 [0,0,0,0,0,0|3,0,0]=3 722 B12R0.234 CCCCCOCCOCC(=O)N 34a_100011215259_100000187820 [0,0,0,0,0,0|3,0,0]=3 723 B12R0.234 CCCCCOCCOCC(=O)N 7a_100000210253_100000076697 [0,0,0,0,0,0|3,0,0]=3 724 B12R0.234 CCCCCOCCOCC(=O)N 7a_100011215259_100000187820 [0,0,0,0,0,0|3,0,0]=3 725 B12R0.234 CCCCCOCCOCC(=O)[O-] 34a_100011215259_100020667443 [0,0,0,0,0,0|2,0,1]=3 726 B12R0.234 CCCCCOCCOCC(C)O 34a_100011215259_100011218427 [0,0,0,0,0,0|3,0,1]=4 727 B12R0.234 CCCCCOCCOCC(C)O 7a_100011215259_100011218427 [0,0,0,0,0,0|3,0,1]=4 728 B12R0.234 CCCCCOCCOC[C@@H](C)O 34a_100011215259_100009817552 [0,0,0,0,0,0|3,0,1]=4 729 B12R0.234 CCCCCOCCOC[C@@H](C)O 7a_100011215259_100009817552 [0,0,0,0,0,0|3,0,1]=4 730 B12R0.234 CCCCCOCCOC[N+](=O)[O-] 34a_100011215259_100000761209 [0,0,0,0,0,0|3,0,1]=4 731 B12R0.234 CCCCCSCCCCB(O)O 62a_100000210326_200009817182 [0,0,0,0,0,0|2,0,1]=3 732 B12R0.234 CCCCCSCCCCB(O)O 62a_200009817182_100000210326 [0,0,0,0,0,0|2,0,1]=3 733 B12R0.234 CCCCCSCCCCC(=O)C 62a_100000210326_100000735457 [0,0,0,0,0,0|2,0,0]=2 734 B12R0.234 CCCCCSCCCCC(=O)C 62a_100000735457_100000210326 [0,0,0,0,0,0|2,0,0]=2 735 B12R0.234 CCCCCSCCCCC(C)C 62a_100000210326_100011216152 [0,0,0,0,0,0|3,0,1]=4 736 B12R0.234 CCCCCSCCCCC(C)C 62a_100011216152_100000210326 [0,0,0,0,0,0|3,0,1]=4 737 B12R0.234 CCCCCSCCCCN(C)C 62a_100000210326_100000690147 [0,0,0,0,0,0|4,0,0]=4 738 B12R0.234 CCCCCSCCCOC(=O)C 62a_100000042594_100000210326 [0,0,0,0,0,0|3,0,0]=3 739 B12R0.234 CCCCCSCCCOC(=O)C 62a_100000210326_100000042594 [0,0,0,0,0,0|3,0,0]=3 740 B12R0.234 CCCCCSCCCOC(=S)C 62a_100000210326_200135323944 [0,0,0,0,0,0|3,1,0]=4 741 B12R0.234 CCCCCSCCCOC(=S)C 62a_200135323944_100000210326 [0,0,0,0,0,0|3,1,0]=4 742 B12R0.234 CCCCCSCCCSC(=O)C 62a_100000038929_100000210326 [0,0,0,0,0,0|3,0,0]=3 743 B12R0.234 CCCCCSCCCSC(=O)C 62a_100000210326_100000038929 [0,0,0,0,0,0|3,0,0]=3 744 B12R0.234 CCCCCSCCOCC(=O)N 62a_100000076697_100000210326 [0,0,0,0,0,0|3,0,0]=3 745 B12R0.234 CCCCCSCCOCC(=O)N 62a_100000210326_100000076697 [0,0,0,0,0,0|3,0,0]=3 746 B12R0.234 CCCCNCCCCCB(O)O 2230a_100000102301_200009817188 [0,0,0,0,0,0|2,0,1]=3 747 B12R0.234 CCCCNCCCCCB(O)O 7a_106832991798_200009817188 [0,0,0,0,0,0|2,0,1]=3 748 B12R0.234 CCCCNCCCCCC(=O)N 2230a_100000102301_100009817443 [0,0,0,0,0,0|2,0,0]=2 749 B12R0.234 CCCCNCCCCCC(=O)N 7a_106832991798_100009817443 [0,0,0,0,0,0|2,0,0]=2 750 B12R0.234 CCCCNCCCCCC(C)C 2230a_100000102301_100000210682 [0,0,0,0,0,0|3,0,1]=4 751 B12R0.234 CCCCNCCCCCC(C)C 2230a_100011290863_100000210211 [0,0,0,0,0,0|3,0,1]=4 752 B12R0.234 CCCCNCCCCCC(C)C 34a_100011290863_100000210210 [0,0,0,0,0,0|3,0,1]=4 753 B12R0.234 CCCCNCCCCCC(C)C 7a_106832991798_100000210682 [0,0,0,0,0,0|3,0,1]=4 754 B12R0.234 CCCCNCCCCNC(=O)C 2230a_200011368371_100000210211 [0,0,0,0,0,0|3,0,0]=3 755 B12R0.234 CCCCNCCCCNC(=O)C 34a_200011368371_100000210210 [0,0,0,0,0,0|3,0,0]=3 756 B12R0.234 CCCCNCCCCOC(=O)C 7a_106832991798_100000033659 [0,0,0,0,0,0|3,0,0]=3 757 B12R0.234 CCCCNCCCCO[N+](=O)[O-] 7a_106832991798_100015694321 [0,0,0,0,0,0|3,0,1]=4 758 B12R0.234 CCCCNCCCCSC(=O)C 2230a_100000102301_200010402107 [0,0,0,0,0,0|3,0,0]=3 759 B12R0.234 CCCCNCCCCSC(=O)C 7a_106832991798_200010402107 [0,0,0,0,0,0|3,0,0]=3 760 B12R0.234 CCCCOCCCCCB(O)O 34a_100000210227_200009817188 [0,0,0,0,0,0|2,0,1]=3 761 B12R0.234 CCCCOCCCCCB(O)O 7a_100000210227_200009817188 [0,0,0,0,0,0|2,0,1]=3 762 B12R0.234 CCCCOCCCCCC(=O)N 34a_100000123541_100000210210 [0,0,0,0,0,0|2,0,0]=2 763 B12R0.234 CCCCOCCCCCC(=O)N 34a_100000210227_100009817443 [0,0,0,0,0,0|2,0,0]=2 764 B12R0.234 CCCCOCCCCCC(=O)N 7a_100000123541_100000210211 [0,0,0,0,0,0|2,0,0]=2 765 B12R0.234 CCCCOCCCCCC(=O)N 7a_100000210227_100009817443 [0,0,0,0,0,0|2,0,0]=2 766 B12R0.234 CCCCOCCCCCC(=O)[O-] 7a_100102619762_100000210211 [0,0,0,0,0,0|1,0,1]=2 767 B12R0.234 CCCCOCCCCCC(C)C 34a_100000210227_100000210682 [0,0,0,0,0,0|3,0,1]=4 768 B12R0.234 CCCCOCCCCCC(C)C 34a_100011995859_100000210210 [0,0,0,0,0,0|3,0,1]=4 769 B12R0.234 CCCCOCCCCCC(C)C 7a_100000210227_100000210682 [0,0,0,0,0,0|3,0,1]=4 770 B12R0.234 CCCCOCCCCCC(C)C 7a_100011995859_100000210211 [0,0,0,0,0,0|3,0,1]=4 771 B12R0.234 CCCCOCCCCOC(=O)C 34a_100000073216_100000210210 [0,0,0,0,0,0|3,0,0]=3 772 B12R0.234 CCCCOCCCCOC(=O)C 34a_100000210227_100000033659 [0,0,0,0,0,0|3,0,0]=3 773 B12R0.234 CCCCOCCCCOC(=O)C 7a_100000073216_100000210211 [0,0,0,0,0,0|3,0,0]=3 774 B12R0.234 CCCCOCCCCOC(=O)C 7a_100000210227_100000033659 [0,0,0,0,0,0|3,0,0]=3 775 B12R0.234 CCCCOCCCCO[N+](=O)[O-] 34a_100000210227_100015694321 [0,0,0,0,0,0|3,0,1]=4 776 B12R0.234 CCCCOCCCCO[N+](=O)[O-] 7a_100000210227_100015694321 [0,0,0,0,0,0|3,0,1]=4 777 B12R0.234 CCCCOCCCCSC(=O)C 34a_100000210227_200010402107 [0,0,0,0,0,0|3,0,0]=3 778 B12R0.234 CCCCOCCCCSC(=O)C 7a_100000210227_200010402107 [0,0,0,0,0,0|3,0,0]=3 779 B12R0.234 CCCCOCCCNCC(=O)N 2230a_200000211371_100000747473 [0,0,0,0,0,0|3,0,0]=3 780 B12R0.234 CCCCOCCCNCC(=O)N 34a_200000211371_100000187820 [0,0,0,0,0,0|3,0,0]=3 781 B12R0.234 CCCCOCCCNCC(=O)[O-] 34a_200000211371_100020667443 [0,0,0,0,0,0|2,0,1]=3 782 B12R0.234 CCCCOCCCNCC(C)O 2230a_200000211371_100011218427 [0,0,0,0,0,0|3,0,1]=4 783 B12R0.234 CCCCOCCCNCC(C)O 34a_200000211371_100011218427 [0,0,0,0,0,0|3,0,1]=4 784 B12R0.234 CCCCOCCCNC[C@@H](C)O 2230a_200000211371_100009817552 [0,0,0,0,0,0|3,0,1]=4 785 B12R0.234 CCCCOCCCNC[C@@H](C)O 34a_200000211371_100009817552 [0,0,0,0,0,0|3,0,1]=4 786 B12R0.234 CCCCOCCCNC[N+](=O)[O-] 34a_200000211371_100000761209 [0,0,0,0,0,0|3,0,1]=4 787 B12R0.234 CCCCOCCCOCC(=O)N 34a_200011215613_100000187820 [0,0,0,0,0,0|3,0,0]=3 788 B12R0.234 CCCCOCCCOCC(=O)N 7a_200011215613_100000187820 [0,0,0,0,0,0|3,0,0]=3 789 B12R0.234 CCCCOCCCOCC(=O)[O-] 34a_200011215613_100020667443 [0,0,0,0,0,0|2,0,1]=3 790 B12R0.234 CCCCOCCCOCC(C)O 34a_200011215613_100011218427 [0,0,0,0,0,0|3,0,1]=4 791 B12R0.234 CCCCOCCCOCC(C)O 7a_200011215613_100011218427 [0,0,0,0,0,0|3,0,1]=4 792 B12R0.234 CCCCOCCCOC[C@@H](C)O 34a_200011215613_100009817552 [0,0,0,0,0,0|3,0,1]=4 793 B12R0.234 CCCCOCCCOC[C@@H](C)O 7a_200011215613_100009817552 [0,0,0,0,0,0|3,0,1]=4 794 B12R0.234 CCCCOCCCOC[N+](=O)[O-] 34a_200011215613_100000761209 [0,0,0,0,0,0|3,0,1]=4 795 B12R0.234 CCCCOCCNCCC(C)O 2230a_200000755665_100000743108 [0,0,0,0,0,0|3,0,1]=4 796 B12R0.234 CCCCOCCNOCC(=O)O 269956a_100000106656_100000743108 [0,0,0,0,0,0|3,0,0]=3 797 B12R0.234 CCCCOCCOCCC(=O)C 34a_100000759926_100000743108 [0,0,0,0,0,0|3,0,0]=3 798 B12R0.234 CCCCOCCOCCC(=O)C 7a_100000210238_100000053229 [0,0,0,0,0,0|3,0,0]=3 799 B12R0.234 CCCCOCCOCCC(=O)C 7a_100000759926_100000743108 [0,0,0,0,0,0|3,0,0]=3 800 B12R0.234 CCCCOCCOCCC(=O)N 34a_100000210238_100000731001 [0,0,0,0,0,0|3,0,0]=3 801 B12R0.234 CCCCOCCOCCC(=O)N 34a_100000757172_100000743108 [0,0,0,0,0,0|3,0,0]=3 802 B12R0.234 CCCCOCCOCCC(=O)N 7a_100000210238_100000744528 [0,0,0,0,0,0|3,0,0]=3 803 B12R0.234 CCCCOCCOCCC(=O)N 7a_100000757172_100000743108 [0,0,0,0,0,0|3,0,0]=3 804 B12R0.234 CCCCOCCOCCC(C)O 34a_100000210238_100012276601 [0,0,0,0,0,0|3,0,1]=4 805 B12R0.234 CCCCOCCOCCC(C)O 7a_100000210238_100012276601 [0,0,0,0,0,0|3,0,1]=4 806 B12R0.234 CCCCOCCOCOC(=O)C 34a_100000210238_100009813279 [0,0,0,0,0,0|4,0,0]=4 807 B12R0.234 CCCCOCCSCCC(=O)C 62a_100000053229_100000743108 [0,0,0,0,0,0|3,0,0]=3 808 B12R0.234 CCCCOCCSCCC(=O)C 62a_100000743108_100000053229 [0,0,0,0,0,0|3,0,0]=3 809 B12R0.234 CCCCOCCSCCC(=O)N 62a_100000743108_100000744528 [0,0,0,0,0,0|3,0,0]=3 810 B12R0.234 CCCCOCCSCCC(=O)N 62a_100000744528_100000743108 [0,0,0,0,0,0|3,0,0]=3 811 B12R0.234 CCCCOCCSCCC(C)O 62a_100000743108_100012276601 [0,0,0,0,0,0|3,0,1]=4 812 B12R0.234 CCCCOCCSCCC(C)O 62a_100012276601_100000743108 [0,0,0,0,0,0|3,0,1]=4 813 B12R0.234 CCCCOCCSCOC(=O)C 62a_100000076356_100000743108 [0,0,0,0,0,0|4,0,0]=4 814 B12R0.234 CCCCOCCSCOC(=O)C 62a_100000743108_100000076356 [0,0,0,0,0,0|4,0,0]=4 815 B12R0.234 CCCCOCNCCCC(=O)N 34a_100000739312_100011995733 [0,0,0,0,0,0|3,0,0]=3 816 B12R0.234 CCCCOCNCCCS(=O)C 2230a_200000753449_100011995733 [0,0,0,0,0,0|4,0,0]=4 817 B12R0.234 CCCCOCNCCNC(=O)C 2230a_100000209853_100011995733 [0,0,0,0,0,0|4,0,0]=4 818 B12R0.234 CCCCOCNCCNC(=O)N 34a_100020590234_100011995733 [0,0,0,0,0,0|4,0,0]=4 819 B12R0.234 CCCCOCOCCCC(=O)C 34a_100000759063_100011995733 [0,0,0,0,0,0|3,0,0]=3 820 B12R0.234 CCCCOCOCCC[N+](=O)[O-] 34a_200000037920_100011995733 [0,0,0,0,0,0|3,0,1]=4 821 B12R0.234 CCCCOCOCCNC(=O)C 34a_100000158858_100011995733 [0,0,0,0,0,0|4,0,0]=4 822 B12R0.234 CCCCOCOCCNC(=O)N 34a_100000181757_100011995733 [0,0,0,0,0,0|4,0,0]=4 823 B12R0.234 CCCCOCOCCOC(=O)C 34a_100000210227_100000076355 [0,0,0,0,0,0|4,0,0]=4 824 B12R0.234 CCCCOCSCCCC(=O)C 62a_100011215641_100011995733 [0,0,0,0,0,0|3,0,0]=3 825 B12R0.234 CCCCOCSCCCC(=O)C 62a_100011995733_100011215641 [0,0,0,0,0,0|3,0,0]=3 826 B12R0.234 CCCCOCSCCCC(=O)N 62a_100011995733_100102525003 [0,0,0,0,0,0|3,0,0]=3 827 B12R0.234 CCCCOCSCCCC(=O)N 62a_100102525003_100011995733 [0,0,0,0,0,0|3,0,0]=3 828 B12R0.234 CCCCOCSCCCC(C)O 62a_100011995733_200000718107 [0,0,0,0,0,0|3,0,1]=4 829 B12R0.234 CCCCOCSCCCC(C)O 62a_200000718107_100011995733 [0,0,0,0,0,0|3,0,1]=4 830 B12R0.234 CCCCOCSCCNC(=O)C 62a_100000189650_100011995733 [0,0,0,0,0,0|4,0,0]=4 831 B12R0.234 CCCCOCSCCNC(=O)C 62a_100011995733_100000189650 [0,0,0,0,0,0|4,0,0]=4 832 B12R0.234 CCCCOCSCCNC(=O)N 62a_100011995733_200000034859 [0,0,0,0,0,0|4,0,0]=4 833 B12R0.234 CCCCOCSCCNC(=O)N 62a_200000034859_100011995733 [0,0,0,0,0,0|4,0,0]=4 834 B12R0.234 CCCCOCSCCOC(=O)C 62a_100009814007_100011995733 [0,0,0,0,0,0|4,0,0]=4 835 B12R0.234 CCCCOCSCCOC(=O)C 62a_100011995733_100009814007 [0,0,0,0,0,0|4,0,0]=4 836 B12R0.234 CCCCOCSCCOC(=O)N 62a_100011995733_200011214921 [0,0,0,0,0,0|4,0,0]=4 837 B12R0.234 CCCCOCSCCOC(=O)N 62a_200011214921_100011995733 [0,0,0,0,0,0|4,0,0]=4 838 B12R0.234 CCCCSCCCCCB(O)O 62a_100000210211_200009817188 [0,0,0,0,0,0|2,0,1]=3 839 B12R0.234 CCCCSCCCCCB(O)O 62a_200009817188_100000210210 [0,0,0,0,0,0|2,0,1]=3 840 B12R0.234 CCCCSCCCCCC(=O)N 62a_100000210211_100009817443 [0,0,0,0,0,0|2,0,0]=2 841 B12R0.234 CCCCSCCCCCC(=O)N 62a_100009817443_100000210210 [0,0,0,0,0,0|2,0,0]=2 842 B12R0.234 CCCCSCCCCCC(C)C 62a_100000210211_100000210682 [0,0,0,0,0,0|3,0,1]=4 843 B12R0.234 CCCCSCCCCCC(C)C 62a_100000210682_100000210210 [0,0,0,0,0,0|3,0,1]=4 844 B12R0.234 CCCCSCCCCOC(=O)C 62a_100000033659_100000210210 [0,0,0,0,0,0|3,0,0]=3 845 B12R0.234 CCCCSCCCCOC(=O)C 62a_100000210211_100000033659 [0,0,0,0,0,0|3,0,0]=3 846 B12R0.234 CCCCSCCCCO[N+](=O)[O-] 62a_100000210211_100015694321 [0,0,0,0,0,0|3,0,1]=4 847 B12R0.234 CCCCSCCCCSC(=O)C 62a_100000210211_200010402107 [0,0,0,0,0,0|3,0,0]=3 848 B12R0.234 CCCCSCCCCSC(=O)C 62a_200010402107_100000210210 [0,0,0,0,0,0|3,0,0]=3 849 B12R0.234 CCCCSCCNCCC(=O)N 2230a_100025743550_100000744528 [0,0,0,0,0,0|3,0,0]=3 850 B12R0.234 CCCCSCCNCCC(C)O 2230a_100025743550_100012276601 [0,0,0,0,0,0|3,0,1]=4 851 B12R0.234 CCCCSCCOCCC(=O)C 7a_200000230436_100000053229 [0,0,0,0,0,0|3,0,0]=3 852 B12R0.234 CCCCSCCOCCC(=O)N 34a_200000230436_100000731001 [0,0,0,0,0,0|3,0,0]=3 853 B12R0.234 CCCCSCCOCCC(=O)N 7a_200000230436_100000744528 [0,0,0,0,0,0|3,0,0]=3 854 B12R0.234 CCCCSCCOCCC(C)O 34a_200000230436_100012276601 [0,0,0,0,0,0|3,0,1]=4 855 B12R0.234 CCCCSCCOCCC(C)O 7a_200000230436_100012276601 [0,0,0,0,0,0|3,0,1]=4 856 B12R0.234 CCCCSCCOCOC(=O)C 34a_200000230436_100009813279 [0,0,0,0,0,0|4,0,0]=4 857 B12R0.234 CCCCSCOCCOC(=O)C 62a_100000076355_100000210210 [0,0,0,0,0,0|4,0,0]=4 858 B12R0.234 CCCCSCOCCOC(=O)C 62a_100000210211_100000076355 [0,0,0,0,0,0|4,0,0]=4 859 B12R0.234 CCCNCCCCCCC(C)C 2230a_100000211014_100000210303 [0,0,0,0,0,0|3,0,1]=4 860 B12R0.234 CCCNCCCCCCC(C)C 34a_100000211014_100000210303 [0,0,0,0,0,0|3,0,1]=4 861 B12R0.234 CCCNCCCCCNC(=O)C 2230a_200012022750_100000210303 [0,0,0,0,0,0|3,0,0]=3 862 B12R0.234 CCCNCCCCCNC(=O)C 34a_200012022750_100000210303 [0,0,0,0,0,0|3,0,0]=3 863 B12R0.234 CCCOCCCCCCB(O)O 34a_100000210258_100009817187 [0,0,0,0,0,0|2,0,1]=3 864 B12R0.234 CCCOCCCCCOC(=O)C 34a_100000210258_100000033007 [0,0,0,0,0,0|3,0,0]=3 865 B12R0.234 CCCOCCCNCCC(=O)N 2230a_100011217757_100000744528 [0,0,0,0,0,0|3,0,0]=3 866 B12R0.234 CCCOCCCNCCC(=O)N 34a_100011217757_100000731001 [0,0,0,0,0,0|3,0,0]=3 867 B12R0.234 CCCOCCCNCCC(C)O 2230a_100011217757_100012276601 [0,0,0,0,0,0|3,0,1]=4 868 B12R0.234 CCCOCCCNCCC(C)O 34a_100011217757_100012276601 [0,0,0,0,0,0|3,0,1]=4 869 B12R0.234 CCCOCCCNCOC(=O)C 34a_100011217757_100009813279 [0,0,0,0,0,0|4,0,0]=4 870 B12R0.234 CCCOCCNCCCC(=O)C 34a_100161115042_100000685027 [0,0,0,0,0,0|3,0,0]=3 871 B12R0.234 CCCOCCNCCCC(=O)N 34a_100000739312_100011215938 [0,0,0,0,0,0|3,0,0]=3 872 B12R0.234 CCCOCCNCCCC(=O)N 34a_100161115042_100102525003 [0,0,0,0,0,0|3,0,0]=3 873 B12R0.234 CCCOCCNCCCC(C)O 2230a_100161115042_200000718107 [0,0,0,0,0,0|3,0,1]=4 874 B12R0.234 CCCOCCNCCCC(C)O 34a_100161115042_200000718107 [0,0,0,0,0,0|3,0,1]=4 875 B12R0.234 CCCOCCNCCCS(=O)C 2230a_200000753449_100011215938 [0,0,0,0,0,0|4,0,0]=4 876 B12R0.234 CCCOCCNCCNC(=O)C 2230a_100000209853_100011215938 [0,0,0,0,0,0|4,0,0]=4 877 B12R0.234 CCCOCCNCCNC(=O)C 2230a_100161115042_100000189650 [0,0,0,0,0,0|4,0,0]=4 878 B12R0.234 CCCOCCNCCNC(=O)N 2230a_100161115042_200000034859 [0,0,0,0,0,0|4,0,0]=4 879 B12R0.234 CCCOCCNCCNC(=O)N 34a_100020590234_100011215938 [0,0,0,0,0,0|4,0,0]=4 880 B12R0.234 CCCOCCNCCOC(=O)C 34a_100161115042_100009814007 [0,0,0,0,0,0|4,0,0]=4 881 B12R0.234 CCCOCCNCCOC(=O)N 34a_100161115042_200011214921 [0,0,0,0,0,0|4,0,0]=4 882 B12R0.234 CCCOCCOCCCC(=O)C 34a_100000752267_100000685027 [0,0,0,0,0,0|3,0,0]=3 883 B12R0.234 CCCOCCOCCCC(=O)C 34a_100000759063_100011215938 [0,0,0,0,0,0|3,0,0]=3 884 B12R0.234 CCCOCCOCCCC(=O)C 7a_100000752267_100011215641 [0,0,0,0,0,0|3,0,0]=3 885 B12R0.234 CCCOCCOCCCC(=O)C 7a_100000759063_100011215938 [0,0,0,0,0,0|3,0,0]=3 886 B12R0.234 CCCOCCOCCCC(=O)N 34a_100000752267_100102525003 [0,0,0,0,0,0|3,0,0]=3 887 B12R0.234 CCCOCCOCCCC(=O)N 7a_100000752267_100102525003 [0,0,0,0,0,0|3,0,0]=3 888 B12R0.234 CCCOCCOCCCC(C)O 34a_100000752267_200000718107 [0,0,0,0,0,0|3,0,1]=4 889 B12R0.234 CCCOCCOCCCC(C)O 7a_100000752267_200000718107 [0,0,0,0,0,0|3,0,1]=4 890 B12R0.234 CCCOCCOCCC[N+](=O)[O-] 34a_200000037920_100011215938 [0,0,0,0,0,0|3,0,1]=4 891 B12R0.234 CCCOCCOCCNC(=O)C 11a_200011904461_100015343762 [0,0,0,0,0,0|4,0,0]=4 892 B12R0.234 CCCOCCOCCNC(=O)C 1626a_200011904461_100015343762 [0,0,0,0,0,0|4,0,0]=4 893 B12R0.234 CCCOCCOCCNC(=O)C 240690a_200011904461_100015343762 [0,0,0,0,0,0|4,0,0]=4 894 B12R0.234 CCCOCCOCCNC(=O)C 34a_100000158858_100011215938 [0,0,0,0,0,0|4,0,0]=4 895 B12R0.234 CCCOCCOCCNC(=O)C 7a_100000752267_100000189650 [0,0,0,0,0,0|4,0,0]=4 896 B12R0.234 CCCOCCOCCNC(=O)N 34a_100000181757_100011215938 [0,0,0,0,0,0|4,0,0]=4 897 B12R0.234 CCCOCCOCCNC(=O)N 7a_100000752267_200000034859 [0,0,0,0,0,0|4,0,0]=4 898 B12R0.234 CCCOCCOCCOC(=O)C 34a_100000210258_200000083610 [0,0,0,0,0,0|4,0,0]=4 899 B12R0.234 CCCOCCOCCOC(=O)C 34a_100000752267_100009814007 [0,0,0,0,0,0|4,0,0]=4 900 B12R0.234 CCCOCCOCCOC(=O)C 7a_100000752267_100009814007 [0,0,0,0,0,0|4,0,0]=4 901 B12R0.234 CCCOCCOCCOC(=O)N 34a_100000752267_200011214921 [0,0,0,0,0,0|4,0,0]=4 902 B12R0.234 CCCOCCOCCOC(=O)N 7a_100000752267_200011214921 [0,0,0,0,0,0|4,0,0]=4 903 B12R0.234 CCCOCCOCCOC(=O)N 7a_100000766696_100011215938 [0,0,0,0,0,0|4,0,0]=4 904 B12R0.234 CCCOCCSCCCC(=O)C 62a_100011215641_100011215938 [0,0,0,0,0,0|3,0,0]=3 905 B12R0.234 CCCOCCSCCCC(=O)C 62a_100011215938_100011215641 [0,0,0,0,0,0|3,0,0]=3 906 B12R0.234 CCCOCCSCCCC(=O)N 62a_100011215938_100102525003 [0,0,0,0,0,0|3,0,0]=3 907 B12R0.234 CCCOCCSCCCC(=O)N 62a_100102525003_100011215938 [0,0,0,0,0,0|3,0,0]=3 908 B12R0.234 CCCOCCSCCCC(C)O 62a_100011215938_200000718107 [0,0,0,0,0,0|3,0,1]=4 909 B12R0.234 CCCOCCSCCCC(C)O 62a_200000718107_100011215938 [0,0,0,0,0,0|3,0,1]=4 910 B12R0.234 CCCOCCSCCNC(=O)C 62a_100000189650_100011215938 [0,0,0,0,0,0|4,0,0]=4 911 B12R0.234 CCCOCCSCCNC(=O)C 62a_100011215938_100000189650 [0,0,0,0,0,0|4,0,0]=4 912 B12R0.234 CCCOCCSCCNC(=O)N 62a_100011215938_200000034859 [0,0,0,0,0,0|4,0,0]=4 913 B12R0.234 CCCOCCSCCNC(=O)N 62a_200000034859_100011215938 [0,0,0,0,0,0|4,0,0]=4 914 B12R0.234 CCCOCCSCCOC(=O)C 62a_100009814007_100011215938 [0,0,0,0,0,0|4,0,0]=4 915 B12R0.234 CCCOCCSCCOC(=O)C 62a_100011215938_100009814007 [0,0,0,0,0,0|4,0,0]=4 916 B12R0.234 CCCOCCSCCOC(=O)N 62a_100011215938_200011214921 [0,0,0,0,0,0|4,0,0]=4 917 B12R0.234 CCCOCCSCCOC(=O)N 62a_200011214921_100011215938 [0,0,0,0,0,0|4,0,0]=4 918 B12R0.234 CCCSCCCCCCB(O)O 62a_100000210303_100009817187 [0,0,0,0,0,0|2,0,1]=3 919 B12R0.234 CCCSCCCCCCB(O)O 62a_100009817187_100000210303 [0,0,0,0,0,0|2,0,1]=3 920 B12R0.234 CCCSCCCCCOC(=O)C 62a_100000033007_100000210303 [0,0,0,0,0,0|3,0,0]=3 921 B12R0.234 CCCSCCCCCOC(=O)C 62a_100000210303_100000033007 [0,0,0,0,0,0|3,0,0]=3 922 B12R0.234 CCCSCCNCCCC(C)O 2230a_100020603323_200000718107 [0,0,0,0,0,0|3,0,1]=4 923 B12R0.234 CCCSCCNCCNC(=O)C 2230a_100020603323_100000189650 [0,0,0,0,0,0|4,0,0]=4 924 B12R0.234 CCCSCCNCCNC(=O)N 2230a_100020603323_200000034859 [0,0,0,0,0,0|4,0,0]=4 925 B12R0.234 CCCSCCOCCCC(=O)C 34a_200000230433_100000685027 [0,0,0,0,0,0|3,0,0]=3 926 B12R0.234 CCCSCCOCCCC(=O)C 7a_200000230433_100011215641 [0,0,0,0,0,0|3,0,0]=3 927 B12R0.234 CCCSCCOCCCC(=O)N 34a_200000230433_100102525003 [0,0,0,0,0,0|3,0,0]=3 928 B12R0.234 CCCSCCOCCCC(=O)N 7a_200000230433_100102525003 [0,0,0,0,0,0|3,0,0]=3 929 B12R0.234 CCCSCCOCCCC(C)O 34a_200000230433_200000718107 [0,0,0,0,0,0|3,0,1]=4 930 B12R0.234 CCCSCCOCCCC(C)O 7a_200000230433_200000718107 [0,0,0,0,0,0|3,0,1]=4 931 B12R0.234 CCCSCCOCCNC(=O)C 7a_200000230433_100000189650 [0,0,0,0,0,0|4,0,0]=4 932 B12R0.234 CCCSCCOCCNC(=O)N 7a_200000230433_200000034859 [0,0,0,0,0,0|4,0,0]=4 933 B12R0.234 CCCSCCOCCOC(=O)C 34a_200000230433_100009814007 [0,0,0,0,0,0|4,0,0]=4 934 B12R0.234 CCCSCCOCCOC(=O)C 62a_100000210303_200000083610 [0,0,0,0,0,0|4,0,0]=4 935 B12R0.234 CCCSCCOCCOC(=O)C 62a_200000083610_100000210303 [0,0,0,0,0,0|4,0,0]=4 936 B12R0.234 CCCSCCOCCOC(=O)C 7a_200000230433_100009814007 [0,0,0,0,0,0|4,0,0]=4 937 B12R0.234 CCCSCCOCCOC(=O)N 34a_200000230433_200011214921 [0,0,0,0,0,0|4,0,0]=4 938 B12R0.234 CCCSCCOCCOC(=O)N 7a_200000230433_200011214921 [0,0,0,0,0,0|4,0,0]=4 939 B12R0.234 CCNCCCCCCNC(=O)C 2230a_200011996284_100000210202 [0,0,0,0,0,0|3,0,0]=3 940 B12R0.234 CCNCCCCCCNC(=O)C 34a_200011996284_100000210202 [0,0,0,0,0,0|3,0,0]=3 941 B12R0.234 CCNCCOCCOCC(=O)O 269956a_100009854275_100000210202 [0,0,0,0,0,0|3,0,0]=3 942 B12R0.234 CCOCCCCCCCC(C)C 34a_200000210741_100000210202 [0,0,0,0,0,0|3,0,1]=4 943 B12R0.234 CCOCCCCCCCC(C)C 7a_200000210741_100000210202 [0,0,0,0,0,0|3,0,1]=4 944 B12R0.234 CCOCCCNCCCC(=O)C 34a_100000210961_100000685027 [0,0,0,0,0,0|3,0,0]=3 945 B12R0.234 CCOCCCNCCCC(=O)N 34a_100000210961_100102525003 [0,0,0,0,0,0|3,0,0]=3 946 B12R0.234 CCOCCCNCCCC(=O)N 34a_100000739312_100012232248 [0,0,0,0,0,0|3,0,0]=3 947 B12R0.234 CCOCCCNCCCC(C)O 2230a_100000210961_200000718107 [0,0,0,0,0,0|3,0,1]=4 948 B12R0.234 CCOCCCNCCCC(C)O 34a_100000210961_200000718107 [0,0,0,0,0,0|3,0,1]=4 949 B12R0.234 CCOCCCNCCCS(=O)C 2230a_200000753449_100012232248 [0,0,0,0,0,0|4,0,0]=4 950 B12R0.234 CCOCCCNCCNC(=O)C 2230a_100000209853_100012232248 [0,0,0,0,0,0|4,0,0]=4 951 B12R0.234 CCOCCCNCCNC(=O)C 2230a_100000210961_100000189650 [0,0,0,0,0,0|4,0,0]=4 952 B12R0.234 CCOCCCNCCNC(=O)N 2230a_100000210961_200000034859 [0,0,0,0,0,0|4,0,0]=4 953 B12R0.234 CCOCCCNCCNC(=O)N 34a_100020590234_100012232248 [0,0,0,0,0,0|4,0,0]=4 954 B12R0.234 CCOCCCNCCOC(=O)C 34a_100000210961_100009814007 [0,0,0,0,0,0|4,0,0]=4 955 B12R0.234 CCOCCCNCCOC(=O)N 34a_100000210961_200011214921 [0,0,0,0,0,0|4,0,0]=4 956 B12R0.234 CCOCCCOCCCC(=O)C 34a_100000757476_100000685027 [0,0,0,0,0,0|3,0,0]=3 957 B12R0.234 CCOCCCOCCCC(=O)C 34a_100000759063_100012232248 [0,0,0,0,0,0|3,0,0]=3 958 B12R0.234 CCOCCCOCCCC(=O)C 7a_100000757476_100011215641 [0,0,0,0,0,0|3,0,0]=3 959 B12R0.234 CCOCCCOCCCC(=O)C 7a_100000759063_100012232248 [0,0,0,0,0,0|3,0,0]=3 960 B12R0.234 CCOCCCOCCCC(=O)N 34a_100000757476_100102525003 [0,0,0,0,0,0|3,0,0]=3 961 B12R0.234 CCOCCCOCCCC(=O)N 7a_100000757476_100102525003 [0,0,0,0,0,0|3,0,0]=3 962 B12R0.234 CCOCCCOCCCC(C)O 34a_100000757476_200000718107 [0,0,0,0,0,0|3,0,1]=4 963 B12R0.234 CCOCCCOCCCC(C)O 7a_100000757476_200000718107 [0,0,0,0,0,0|3,0,1]=4 964 B12R0.234 CCOCCCOCCC[N+](=O)[O-] 34a_200000037920_100012232248 [0,0,0,0,0,0|3,0,1]=4 965 B12R0.234 CCOCCCOCCNC(=O)C 34a_100000158858_100012232248 [0,0,0,0,0,0|4,0,0]=4 966 B12R0.234 CCOCCCOCCNC(=O)C 7a_100000757476_100000189650 [0,0,0,0,0,0|4,0,0]=4 967 B12R0.234 CCOCCCOCCNC(=O)N 34a_100000181757_100012232248 [0,0,0,0,0,0|4,0,0]=4 968 B12R0.234 CCOCCCOCCNC(=O)N 7a_100000757476_200000034859 [0,0,0,0,0,0|4,0,0]=4 969 B12R0.234 CCOCCCOCCOC(=O)C 34a_100000757476_100009814007 [0,0,0,0,0,0|4,0,0]=4 970 B12R0.234 CCOCCCOCCOC(=O)C 7a_100000757476_100009814007 [0,0,0,0,0,0|4,0,0]=4 971 B12R0.234 CCOCCCOCCOC(=O)N 34a_100000757476_200011214921 [0,0,0,0,0,0|4,0,0]=4 972 B12R0.234 CCOCCCOCCOC(=O)N 7a_100000757476_200011214921 [0,0,0,0,0,0|4,0,0]=4 973 B12R0.234 CCOCCCOCCOC(=O)N 7a_100000766696_100012232248 [0,0,0,0,0,0|4,0,0]=4 974 B12R0.234 CCOCCCSCCCC(=O)C 62a_100011215641_100012232248 [0,0,0,0,0,0|3,0,0]=3 975 B12R0.234 CCOCCCSCCCC(=O)C 62a_100012232248_100011215641 [0,0,0,0,0,0|3,0,0]=3 976 B12R0.234 CCOCCCSCCCC(=O)N 62a_100012232248_100102525003 [0,0,0,0,0,0|3,0,0]=3 977 B12R0.234 CCOCCCSCCCC(=O)N 62a_100102525003_100012232248 [0,0,0,0,0,0|3,0,0]=3 978 B12R0.234 CCOCCCSCCCC(C)O 62a_100012232248_200000718107 [0,0,0,0,0,0|3,0,1]=4 979 B12R0.234 CCOCCCSCCCC(C)O 62a_200000718107_100012232248 [0,0,0,0,0,0|3,0,1]=4 980 B12R0.234 CCOCCCSCCNC(=O)C 62a_100000189650_100012232248 [0,0,0,0,0,0|4,0,0]=4 981 B12R0.234 CCOCCCSCCNC(=O)C 62a_100012232248_100000189650 [0,0,0,0,0,0|4,0,0]=4 982 B12R0.234 CCOCCCSCCNC(=O)N 62a_100012232248_200000034859 [0,0,0,0,0,0|4,0,0]=4 983 B12R0.234 CCOCCCSCCNC(=O)N 62a_200000034859_100012232248 [0,0,0,0,0,0|4,0,0]=4 984 B12R0.234 CCOCCCSCCOC(=O)C 62a_100009814007_100012232248 [0,0,0,0,0,0|4,0,0]=4 985 B12R0.234 CCOCCCSCCOC(=O)C 62a_100012232248_100009814007 [0,0,0,0,0,0|4,0,0]=4 986 B12R0.234 CCOCCCSCCOC(=O)N 62a_100012232248_200011214921 [0,0,0,0,0,0|4,0,0]=4 987 B12R0.234 CCOCCCSCCOC(=O)N 62a_200011214921_100012232248 [0,0,0,0,0,0|4,0,0]=4 988 B12R0.234 CCOCCNCCCCB(O)O 2230a_102516460346_200009817182 [0,0,0,0,0,0|3,0,1]=4 989 B12R0.234 CCOCCNCCCCB(O)O 34a_102516460346_200009817182 [0,0,0,0,0,0|3,0,1]=4 990 B12R0.234 CCOCCNCCCCC(=O)C 34a_102516460346_100009817362 [0,0,0,0,0,0|3,0,0]=3 991 B12R0.234 CCOCCNCCCCC(=O)N 34a_100000696515_100000210147 [0,0,0,0,0,0|3,0,0]=3 992 B12R0.234 CCOCCNCCCNC(=O)C 34a_100000736810_100000210147 [0,0,0,0,0,0|4,0,0]=4 993 B12R0.234 CCOCCNCCCOC(=O)C 34a_102516460346_100000042594 [0,0,0,0,0,0|4,0,0]=4 994 B12R0.234 CCOCCNCCCSC(=O)C 2230a_102516460346_100000038929 [0,0,0,0,0,0|4,0,0]=4 995 B12R0.234 CCOCCNCCCSC(=O)C 34a_102516460346_100000038929 [0,0,0,0,0,0|4,0,0]=4 996 B12R0.234 CCOCCNCCOCC(=O)N 2230a_102516460346_100000076697 [0,0,0,0,0,0|4,0,0]=4 997 B12R0.234 CCOCCNCCOCC(=O)N 34a_102516460346_100000076697 [0,0,0,0,0,0|4,0,0]=4 998 B12R0.234 CCOCCNCCOCC(=O)O 269956a_100000700818_100000210147 [0,0,0,0,0,0|3,0,0]=3 999 B12R0.234 CCOCCOCCCCB(O)O 34a_100000210136_200009817182 [0,0,0,0,0,0|3,0,1]=4 1000 B12R0.234 CCOCCOCCCCB(O)O 7a_100000210136_200009817182 [0,0,0,0,0,0|3,0,1]=4 1001 B12R0.234 CCOCCOCCCCC(=O)C 34a_100000210136_100009817362 [0,0,0,0,0,0|3,0,0]=3 1002 B12R0.234 CCOCCOCCCCC(=O)C 7a_100000210136_100000735457 [0,0,0,0,0,0|3,0,0]=3 1003 B12R0.234 CCOCCOCCCCC(=O)N 34a_100012022536_100000210147 [0,0,0,0,0,0|3,0,0]=3 1004 B12R0.234 CCOCCOCCCCC(=O)N 7a_100012022536_100011215890 [0,0,0,0,0,0|3,0,0]=3 1005 B12R0.234 CCOCCOCCCC[N+](=O)[O-] 34a_200015379883_100000210147 [0,0,0,0,0,0|3,0,1]=4 1006 B12R0.234 CCOCCOCCCC[N+](=O)[O-] 7a_200015379883_100011215890 [0,0,0,0,0,0|3,0,1]=4 1007 B12R0.234 CCOCCOCCCNC(=O)C 34a_100000752032_100000210147 [0,0,0,0,0,0|4,0,0]=4 1008 B12R0.234 CCOCCOCCCOC(=O)C 34a_100000210136_100000042594 [0,0,0,0,0,0|4,0,0]=4 1009 B12R0.234 CCOCCOCCCOC(=O)C 7a_100000210136_100000042594 [0,0,0,0,0,0|4,0,0]=4 1010 B12R0.234 CCOCCOCCCSC(=O)C 34a_100000210136_100000038929 [0,0,0,0,0,0|4,0,0]=4 1011 B12R0.234 CCOCCOCCCSC(=O)C 7a_100000210136_100000038929 [0,0,0,0,0,0|4,0,0]=4 1012 B12R0.234 CCOCCOCCNCC(=O)N 2230a_100000711301_100011211534 [0,0,0,0,0,0|4,0,0]=4 1013 B12R0.234 CCOCCOCCNCC(=O)N 2230a_100102712874_100000747473 [0,0,0,0,0,0|4,0,0]=4 1014 B12R0.234 CCOCCOCCNCC(=O)N 34a_100102712874_100000187820 [0,0,0,0,0,0|4,0,0]=4 1015 B12R0.234 CCOCCOCCNCC(=O)O 269956a_100016091260_100011211534 [0,0,0,0,0,0|3,0,0]=3 1016 B12R0.234 CCOCCOCCNCC(=O)[O-] 34a_100102712874_100020667443 [0,0,0,0,0,0|3,0,1]=4 1017 B12R0.234 CCOCCOCCOCC(=O)C 34a_100000211253_100011211534 [0,0,0,0,0,0|4,0,0]=4 1018 B12R0.234 CCOCCOCCOCC(=O)N 34a_100000210136_100000076697 [0,0,0,0,0,0|4,0,0]=4 1019 B12R0.234 CCOCCOCCOCC(=O)N 34a_100000210240_100000187820 [0,0,0,0,0,0|4,0,0]=4 1020 B12R0.234 CCOCCOCCOCC(=O)N 7a_100000210136_100000076697 [0,0,0,0,0,0|4,0,0]=4 1021 B12R0.234 CCOCCOCCOCC(=O)N 7a_100000210240_100000187820 [0,0,0,0,0,0|4,0,0]=4 1022 B12R0.234 CCOCCOCCOCC(=O)[O-] 34a_100000210240_100020667443 [0,0,0,0,0,0|3,0,1]=4 1023 B12R0.234 CCOCCOCCSCC(=O)N 62a_100000747473_100011211534 [0,0,0,0,0,0|4,0,0]=4 1024 B12R0.234 CCOCCOCCSCC(=O)N 62a_100011211534_100000747473 [0,0,0,0,0,0|4,0,0]=4 1025 B12R0.234 CCOCCOCCSCC(=O)[O-] 62a_100011211534_100020667443 [0,0,0,0,0,0|3,0,1]=4 1026 B12R0.234 CCOCCOCCSCC(=O)[O-] 62a_100020667443_100011211534 [0,0,0,0,0,0|3,0,1]=4 1027 B12R0.234 CCOCCSCCCCB(O)O 62a_100000210147_200009817182 [0,0,0,0,0,0|3,0,1]=4 1028 B12R0.234 CCOCCSCCCCB(O)O 62a_200009817182_100011215890 [0,0,0,0,0,0|3,0,1]=4 1029 B12R0.234 CCOCCSCCCCC(=O)C 62a_100000210147_100000735457 [0,0,0,0,0,0|3,0,0]=3 1030 B12R0.234 CCOCCSCCCCC(=O)C 62a_100000735457_100011215890 [0,0,0,0,0,0|3,0,0]=3 1031 B12R0.234 CCOCCSCCCOC(=O)C 62a_100000042594_100011215890 [0,0,0,0,0,0|4,0,0]=4 1032 B12R0.234 CCOCCSCCCOC(=O)C 62a_100000210147_100000042594 [0,0,0,0,0,0|4,0,0]=4 1033 B12R0.234 CCOCCSCCCSC(=O)C 62a_100000038929_100011215890 [0,0,0,0,0,0|4,0,0]=4 1034 B12R0.234 CCOCCSCCCSC(=O)C 62a_100000210147_100000038929 [0,0,0,0,0,0|4,0,0]=4 1035 B12R0.234 CCOCCSCCOCC(=O)N 62a_100000076697_100011215890 [0,0,0,0,0,0|4,0,0]=4 1036 B12R0.234 CCOCCSCCOCC(=O)N 62a_100000210147_100000076697 [0,0,0,0,0,0|4,0,0]=4 1037 B12R0.234 CCOCSCCCCCB(O)O 62a_100000739092_200009817188 [0,0,0,0,0,0|3,0,1]=4 1038 B12R0.234 CCOCSCCCCCB(O)O 62a_200009817188_100000739092 [0,0,0,0,0,0|3,0,1]=4 1039 B12R0.234 CCOCSCCCCCC(=O)N 62a_100000739092_100009817443 [0,0,0,0,0,0|3,0,0]=3 1040 B12R0.234 CCOCSCCCCCC(=O)N 62a_100009817443_100000739092 [0,0,0,0,0,0|3,0,0]=3 1041 B12R0.234 CCOCSCCCCOC(=O)C 62a_100000033659_100000739092 [0,0,0,0,0,0|4,0,0]=4 1042 B12R0.234 CCOCSCCCCOC(=O)C 62a_100000739092_100000033659 [0,0,0,0,0,0|4,0,0]=4 1043 B12R0.234 CCOCSCCCCSC(=O)C 62a_100000739092_200010402107 [0,0,0,0,0,0|4,0,0]=4 1044 B12R0.234 CCOCSCCCCSC(=O)C 62a_200010402107_100000739092 [0,0,0,0,0,0|4,0,0]=4 1045 B12R0.234 CCSCCCOCCCC(=O)C 34a_100011216438_100000685027 [0,0,0,0,0,0|3,0,0]=3 1046 B12R0.234 CCSCCCOCCCC(=O)C 7a_100011216438_100011215641 [0,0,0,0,0,0|3,0,0]=3 1047 B12R0.234 CCSCCCOCCCC(=O)N 34a_100011216438_100102525003 [0,0,0,0,0,0|3,0,0]=3 1048 B12R0.234 CCSCCCOCCCC(=O)N 7a_100011216438_100102525003 [0,0,0,0,0,0|3,0,0]=3 1049 B12R0.234 CCSCCCOCCCC(C)O 34a_100011216438_200000718107 [0,0,0,0,0,0|3,0,1]=4 1050 B12R0.234 CCSCCCOCCCC(C)O 7a_100011216438_200000718107 [0,0,0,0,0,0|3,0,1]=4 1051 B12R0.234 CCSCCCOCCNC(=O)C 7a_100011216438_100000189650 [0,0,0,0,0,0|4,0,0]=4 1052 B12R0.234 CCSCCCOCCNC(=O)N 7a_100011216438_200000034859 [0,0,0,0,0,0|4,0,0]=4 1053 B12R0.234 CCSCCCOCCOC(=O)C 34a_100011216438_100009814007 [0,0,0,0,0,0|4,0,0]=4 1054 B12R0.234 CCSCCCOCCOC(=O)C 7a_100011216438_100009814007 [0,0,0,0,0,0|4,0,0]=4 1055 B12R0.234 CCSCCCOCCOC(=O)N 34a_100011216438_200011214921 [0,0,0,0,0,0|4,0,0]=4 1056 B12R0.234 CCSCCCOCCOC(=O)N 7a_100011216438_200011214921 [0,0,0,0,0,0|4,0,0]=4 1057 B12R0.234 CCSCCNCCCCB(O)O 2230a_100000106463_200009817182 [0,0,0,0,0,0|3,0,1]=4 1058 B12R0.234 CCSCCNCCCCC(=O)N 34a_100000696515_100000757381 [0,0,0,0,0,0|3,0,0]=3 1059 B12R0.234 CCSCCNCCCNC(=O)C 34a_100000736810_100000757381 [0,0,0,0,0,0|4,0,0]=4 1060 B12R0.234 CCSCCNCCCSC(=O)C 2230a_100000106463_100000038929 [0,0,0,0,0,0|4,0,0]=4 1061 B12R0.234 CCSCCNCCOCC(=O)N 2230a_100000106463_100000076697 [0,0,0,0,0,0|4,0,0]=4 1062 B12R0.234 CCSCCNCCOCC(=O)O 269956a_100000700818_100000757381 [0,0,0,0,0,0|3,0,0]=3 1063 B12R0.234 CCSCCOCCCCB(O)O 34a_100000212035_200009817182 [0,0,0,0,0,0|3,0,1]=4 1064 B12R0.234 CCSCCOCCCCB(O)O 7a_100000212035_200009817182 [0,0,0,0,0,0|3,0,1]=4 1065 B12R0.234 CCSCCOCCCCC(=O)C 34a_100000212035_100009817362 [0,0,0,0,0,0|3,0,0]=3 1066 B12R0.234 CCSCCOCCCCC(=O)C 7a_100000212035_100000735457 [0,0,0,0,0,0|3,0,0]=3 1067 B12R0.234 CCSCCOCCCCC(=O)N 34a_100012022536_100000757381 [0,0,0,0,0,0|3,0,0]=3 1068 B12R0.234 CCSCCOCCCCC(=O)N 7a_100012022536_100000757381 [0,0,0,0,0,0|3,0,0]=3 1069 B12R0.234 CCSCCOCCCC[N+](=O)[O-] 34a_200015379883_100000757381 [0,0,0,0,0,0|3,0,1]=4 1070 B12R0.234 CCSCCOCCCC[N+](=O)[O-] 7a_200015379883_100000757381 [0,0,0,0,0,0|3,0,1]=4 1071 B12R0.234 CCSCCOCCCNC(=O)C 34a_100000752032_100000757381 [0,0,0,0,0,0|4,0,0]=4 1072 B12R0.234 CCSCCOCCCOC(=O)C 34a_100000212035_100000042594 [0,0,0,0,0,0|4,0,0]=4 1073 B12R0.234 CCSCCOCCCOC(=O)C 7a_100000212035_100000042594 [0,0,0,0,0,0|4,0,0]=4 1074 B12R0.234 CCSCCOCCCSC(=O)C 34a_100000212035_100000038929 [0,0,0,0,0,0|4,0,0]=4 1075 B12R0.234 CCSCCOCCCSC(=O)C 7a_100000212035_100000038929 [0,0,0,0,0,0|4,0,0]=4 1076 B12R0.234 CCSCCOCCOCC(=O)N 34a_100000212035_100000076697 [0,0,0,0,0,0|4,0,0]=4 1077 B12R0.234 CCSCCOCCOCC(=O)N 7a_100000212035_100000076697 [0,0,0,0,0,0|4,0,0]=4 1078 B12R0.234 CCSCCSCCCCB(O)O 62a_100000757381_200009817182 [0,0,0,0,0,0|3,0,1]=4 1079 B12R0.234 CCSCCSCCCCB(O)O 62a_200009817182_100000757381 [0,0,0,0,0,0|3,0,1]=4 1080 B12R0.234 CCSCCSCCCCC(=O)C 62a_100000735457_100000757381 [0,0,0,0,0,0|3,0,0]=3 1081 B12R0.234 CCSCCSCCCCC(=O)C 62a_100000757381_100000735457 [0,0,0,0,0,0|3,0,0]=3 1082 B12R0.234 CCSCCSCCCOC(=O)C 62a_100000042594_100000757381 [0,0,0,0,0,0|4,0,0]=4 1083 B12R0.234 CCSCCSCCCOC(=O)C 62a_100000757381_100000042594 [0,0,0,0,0,0|4,0,0]=4 1084 B12R0.234 CCSCCSCCCSC(=O)C 62a_100000038929_100000757381 [0,0,0,0,0,0|4,0,0]=4 1085 B12R0.234 CCSCCSCCCSC(=O)C 62a_100000757381_100000038929 [0,0,0,0,0,0|4,0,0]=4 1086 B12R0.234 CCSCCSCCOCC(=O)N 62a_100000076697_100000757381 [0,0,0,0,0,0|4,0,0]=4 1087 B12R0.234 CCSCCSCCOCC(=O)N 62a_100000757381_100000076697 [0,0,0,0,0,0|4,0,0]=4 1088 B12R0.234 CN(C)CCCCCCCCCO 2230a_100102631434_100009813782 [0,0,0,0,0,0|4,0,0]=4 1089 B12R0.234 CN(C)CCCCCCCCCO 269982a_100102631434_100009813782 [0,0,0,0,0,0|4,0,0]=4 1090 B12R0.234 CNCCCCCOCCC(=O)N 34a_100000722520_100000731001 [0,0,0,0,0,0|3,0,0]=3 1091 B12R0.234 CNCCCCCOCCC(C)O 34a_100000722520_100012276601 [0,0,0,0,0,0|3,0,1]=4 1092 B12R0.234 CNCCCCCOCOC(=O)C 34a_100000722520_100009813279 [0,0,0,0,0,0|4,0,0]=4 1093 B12R0.234 CNCCCOCCCCB(O)O 34a_100000213112_200009817182 [0,0,0,0,0,0|3,0,1]=4 1094 B12R0.234 CNCCCOCCCCC(=O)C 34a_100000213112_100009817362 [0,0,0,0,0,0|3,0,0]=3 1095 B12R0.234 CNCCCOCCCOC(=O)C 34a_100000213112_100000042594 [0,0,0,0,0,0|4,0,0]=4 1096 B12R0.234 CNCCCOCCCSC(=O)C 34a_100000213112_100000038929 [0,0,0,0,0,0|4,0,0]=4 1097 B12R0.234 CNCCCOCCOCC(=O)N 34a_100000213112_100000076697 [0,0,0,0,0,0|4,0,0]=4 1098 B12R0.234 CNCCOCCOCCC(=O)N 34a_100000228057_100000731001 [0,0,0,0,0,0|4,0,0]=4 1099 B12R0.234 COCCCCCCNCC(=O)N 2230a_100000711301_100011998445 [0,0,0,0,0,0|3,0,0]=3 1100 B12R0.234 COCCCCCCNCC(=O)O 269956a_100016091260_100011998445 [0,0,0,0,0,0|2,0,0]=2 1101 B12R0.234 COCCCCCCNCC(C)O 2230a_100000210904_100011998445 [0,0,0,0,0,0|3,0,1]=4 1102 B12R0.234 COCCCCCCNCC(C)O 34a_100000210904_100011998445 [0,0,0,0,0,0|3,0,1]=4 1103 B12R0.234 COCCCCCCOCC(=O)C 34a_100000211253_100011998445 [0,0,0,0,0,0|3,0,0]=3 1104 B12R0.234 COCCCCCCOCC(=O)N 34a_200012092642_100000187820 [0,0,0,0,0,0|3,0,0]=3 1105 B12R0.234 COCCCCCCOCC(=O)N 7a_200012092642_100000187820 [0,0,0,0,0,0|3,0,0]=3 1106 B12R0.234 COCCCCCCOCC(=O)[O-] 34a_200012092642_100020667443 [0,0,0,0,0,0|2,0,1]=3 1107 B12R0.234 COCCCCCCOCC(C)O 34a_200012092642_100011218427 [0,0,0,0,0,0|3,0,1]=4 1108 B12R0.234 COCCCCCCOCC(C)O 7a_200012092642_100011218427 [0,0,0,0,0,0|3,0,1]=4 1109 B12R0.234 COCCCCCCOC[C@@H](C)O 34a_200012092642_100009817552 [0,0,0,0,0,0|3,0,1]=4 1110 B12R0.234 COCCCCCCOC[C@@H](C)O 7a_200012092642_100009817552 [0,0,0,0,0,0|3,0,1]=4 1111 B12R0.234 COCCCCCCOC[N+](=O)[O-] 34a_200012092642_100000761209 [0,0,0,0,0,0|3,0,1]=4 1112 B12R0.234 COCCCCCCSCC(=O)N 62a_100000747473_100011998445 [0,0,0,0,0,0|3,0,0]=3 1113 B12R0.234 COCCCCCCSCC(=O)N 62a_100011998445_100000747473 [0,0,0,0,0,0|3,0,0]=3 1114 B12R0.234 COCCCCCCSCC(=O)[O-] 62a_100011998445_100020667443 [0,0,0,0,0,0|2,0,1]=3 1115 B12R0.234 COCCCCCCSCC(=O)[O-] 62a_100020667443_100011998445 [0,0,0,0,0,0|2,0,1]=3 1116 B12R0.234 COCCCCCCSCC(C)O 62a_100011218427_100011998445 [0,0,0,0,0,0|3,0,1]=4 1117 B12R0.234 COCCCCCCSCC(C)O 62a_100011998445_100011218427 [0,0,0,0,0,0|3,0,1]=4 1118 B12R0.234 COCCCCCCSC[C@@H](C)O 62a_100009817552_100011998445 [0,0,0,0,0,0|3,0,1]=4 1119 B12R0.234 COCCCCCCSC[C@@H](C)O 62a_100011998445_100009817552 [0,0,0,0,0,0|3,0,1]=4 1120 B12R0.234 COCCCCCCSC[N+](=O)[O-] 62a_100011998445_100000761209 [0,0,0,0,0,0|3,0,1]=4 1121 B12R0.234 COCCCCCNCCC(=O)N 2230a_100000747528_100000744528 [0,0,0,0,0,0|3,0,0]=3 1122 B12R0.234 COCCCCCNCCC(=O)N 34a_100000747528_100000731001 [0,0,0,0,0,0|3,0,0]=3 1123 B12R0.234 COCCCCCNCCC(C)O 2230a_100000747528_100012276601 [0,0,0,0,0,0|3,0,1]=4 1124 B12R0.234 COCCCCCNCCC(C)O 34a_100000747528_100012276601 [0,0,0,0,0,0|3,0,1]=4 1125 B12R0.234 COCCCCCNCOC(=O)C 34a_100000747528_100009813279 [0,0,0,0,0,0|4,0,0]=4 1126 B12R0.234 COCCCCNCCCC(=O)N 34a_100000739312_100000755781 [0,0,0,0,0,0|3,0,0]=3 1127 B12R0.234 COCCCCNCCCS(=O)C 2230a_200000753449_100000730899 [0,0,0,0,0,0|4,0,0]=4 1128 B12R0.234 COCCCCNCCNC(=O)C 2230a_100000209853_100000730899 [0,0,0,0,0,0|4,0,0]=4 1129 B12R0.234 COCCCCNCCNC(=O)N 34a_100020590234_100000755781 [0,0,0,0,0,0|4,0,0]=4 1130 B12R0.234 COCCCCOCCCC(=O)C 34a_100000740925_100000685027 [0,0,0,0,0,0|3,0,0]=3 1131 B12R0.234 COCCCCOCCCC(=O)C 34a_100000759063_100000755781 [0,0,0,0,0,0|3,0,0]=3 1132 B12R0.234 COCCCCOCCCC(=O)C 7a_100000759063_100000730899 [0,0,0,0,0,0|3,0,0]=3 1133 B12R0.234 COCCCCOCCCC(=O)N 34a_100000740925_100102525003 [0,0,0,0,0,0|3,0,0]=3 1134 B12R0.234 COCCCCOCCCC(C)O 34a_100000740925_200000718107 [0,0,0,0,0,0|3,0,1]=4 1135 B12R0.234 COCCCCOCCC[N+](=O)[O-] 34a_200000037920_100000755781 [0,0,0,0,0,0|3,0,1]=4 1136 B12R0.234 COCCCCOCCNC(=O)C 34a_100000158858_100000755781 [0,0,0,0,0,0|4,0,0]=4 1137 B12R0.234 COCCCCOCCNC(=O)N 34a_100000181757_100000755781 [0,0,0,0,0,0|4,0,0]=4 1138 B12R0.234 COCCCCOCCOC(=O)C 34a_100000740925_100009814007 [0,0,0,0,0,0|4,0,0]=4 1139 B12R0.234 COCCCCOCCOC(=O)N 34a_100000740925_200011214921 [0,0,0,0,0,0|4,0,0]=4 1140 B12R0.234 COCCCCOCCOC(=O)N 7a_100000766696_100000730899 [0,0,0,0,0,0|4,0,0]=4 1141 B12R0.234 COCCCCSCCCC(=O)C 62a_100000730899_100011215641 [0,0,0,0,0,0|3,0,0]=3 1142 B12R0.234 COCCCCSCCCC(=O)C 62a_100011215641_100000730899 [0,0,0,0,0,0|3,0,0]=3 1143 B12R0.234 COCCCCSCCCC(=O)N 62a_100000730899_100102525003 [0,0,0,0,0,0|3,0,0]=3 1144 B12R0.234 COCCCCSCCCC(=O)N 62a_100102525003_100000730899 [0,0,0,0,0,0|3,0,0]=3 1145 B12R0.234 COCCCCSCCCC(C)O 62a_100000730899_200000718107 [0,0,0,0,0,0|3,0,1]=4 1146 B12R0.234 COCCCCSCCCC(C)O 62a_200000718107_100000730899 [0,0,0,0,0,0|3,0,1]=4 1147 B12R0.234 COCCCCSCCNC(=O)C 62a_100000189650_100000730899 [0,0,0,0,0,0|4,0,0]=4 1148 B12R0.234 COCCCCSCCNC(=O)C 62a_100000730899_100000189650 [0,0,0,0,0,0|4,0,0]=4 1149 B12R0.234 COCCCCSCCNC(=O)N 62a_100000730899_200000034859 [0,0,0,0,0,0|4,0,0]=4 1150 B12R0.234 COCCCCSCCNC(=O)N 62a_200000034859_100000730899 [0,0,0,0,0,0|4,0,0]=4 1151 B12R0.234 COCCCCSCCOC(=O)C 62a_100000730899_100009814007 [0,0,0,0,0,0|4,0,0]=4 1152 B12R0.234 COCCCCSCCOC(=O)C 62a_100009814007_100000730899 [0,0,0,0,0,0|4,0,0]=4 1153 B12R0.234 COCCCCSCCOC(=O)N 62a_100000730899_200011214921 [0,0,0,0,0,0|4,0,0]=4 1154 B12R0.234 COCCCCSCCOC(=O)N 62a_200011214921_100000730899 [0,0,0,0,0,0|4,0,0]=4 1155 B12R0.234 COCCCNCCCCB(O)O 34a_100150723488_200009817182 [0,0,0,0,0,0|3,0,1]=4 1156 B12R0.234 COCCCNCCCCC(=O)C 34a_100150723488_100009817362 [0,0,0,0,0,0|3,0,0]=3 1157 B12R0.234 COCCCNCCCCC(=O)N 34a_100000696515_100000740836 [0,0,0,0,0,0|3,0,0]=3 1158 B12R0.234 COCCCNCCCNC(=O)C 34a_100000736810_100000740836 [0,0,0,0,0,0|4,0,0]=4 1159 B12R0.234 COCCCNCCCOC(=O)C 34a_100150723488_100000042594 [0,0,0,0,0,0|4,0,0]=4 1160 B12R0.234 COCCCNCCCSC(=O)C 34a_100150723488_100000038929 [0,0,0,0,0,0|4,0,0]=4 1161 B12R0.234 COCCCNCCOCC(=O)N 34a_100150723488_100000076697 [0,0,0,0,0,0|4,0,0]=4 1162 B12R0.234 COCCCNCCOCC(=O)O 269956a_100000700818_100000740836 [0,0,0,0,0,0|3,0,0]=3 1163 B12R0.234 COCCCOCCCCB(O)O 34a_100000740835_200009817182 [0,0,0,0,0,0|3,0,1]=4 1164 B12R0.234 COCCCOCCCCC(=O)C 34a_100000740835_100009817362 [0,0,0,0,0,0|3,0,0]=3 1165 B12R0.234 COCCCOCCCCC(=O)N 34a_100012022536_100000740836 [0,0,0,0,0,0|3,0,0]=3 1166 B12R0.234 COCCCOCCCCC(=O)N 7a_100012022536_100000740836 [0,0,0,0,0,0|3,0,0]=3 1167 B12R0.234 COCCCOCCCC[N+](=O)[O-] 34a_200015379883_100000740836 [0,0,0,0,0,0|3,0,1]=4 1168 B12R0.234 COCCCOCCCC[N+](=O)[O-] 7a_200015379883_100000740836 [0,0,0,0,0,0|3,0,1]=4 1169 B12R0.234 COCCCOCCCNC(=O)C 34a_100000752032_100000740836 [0,0,0,0,0,0|4,0,0]=4 1170 B12R0.234 COCCCOCCCOC(=O)C 34a_100000740835_100000042594 [0,0,0,0,0,0|4,0,0]=4 1171 B12R0.234 COCCCOCCCSC(=O)C 34a_100000740835_100000038929 [0,0,0,0,0,0|4,0,0]=4 1172 B12R0.234 COCCCOCCOCC(=O)N 34a_100000740835_100000076697 [0,0,0,0,0,0|4,0,0]=4 1173 B12R0.234 COCCCSCCCCB(O)O 62a_100000709357_200009817182 [0,0,0,0,0,0|3,0,1]=4 1174 B12R0.234 COCCCSCCCCB(O)O 62a_200009817182_100000709357 [0,0,0,0,0,0|3,0,1]=4 1175 B12R0.234 COCCCSCCCCC(=O)C 62a_100000709357_100000735457 [0,0,0,0,0,0|3,0,0]=3 1176 B12R0.234 COCCCSCCCCC(=O)C 62a_100000735457_100000709357 [0,0,0,0,0,0|3,0,0]=3 1177 B12R0.234 COCCCSCCCOC(=O)C 62a_100000042594_100000709357 [0,0,0,0,0,0|4,0,0]=4 1178 B12R0.234 COCCCSCCCOC(=O)C 62a_100000709357_100000042594 [0,0,0,0,0,0|4,0,0]=4 1179 B12R0.234 COCCCSCCCSC(=O)C 62a_100000038929_100000709357 [0,0,0,0,0,0|4,0,0]=4 1180 B12R0.234 COCCCSCCCSC(=O)C 62a_100000709357_100000038929 [0,0,0,0,0,0|4,0,0]=4 1181 B12R0.234 COCCCSCCOCC(=O)N 62a_100000076697_100000709357 [0,0,0,0,0,0|4,0,0]=4 1182 B12R0.234 COCCCSCCOCC(=O)N 62a_100000709357_100000076697 [0,0,0,0,0,0|4,0,0]=4 1183 B12R0.234 COCCNCCCCCB(O)O 2230a_100000209980_200009817188 [0,0,0,0,0,0|3,0,1]=4 1184 B12R0.234 COCCNCCCCCC(=O)N 2230a_100000209980_100009817443 [0,0,0,0,0,0|3,0,0]=3 1185 B12R0.234 COCCNCCCCNC(=O)C 2230a_200011368371_100011201679 [0,0,0,0,0,0|4,0,0]=4 1186 B12R0.234 COCCNCCCCNC(=O)C 34a_200011368371_100011201679 [0,0,0,0,0,0|4,0,0]=4 1187 B12R0.234 COCCNCCCCSC(=O)C 2230a_100000209980_200010402107 [0,0,0,0,0,0|4,0,0]=4 1188 B12R0.234 COCCOCCCCCB(O)O 34a_100000210237_200009817188 [0,0,0,0,0,0|3,0,1]=4 1189 B12R0.234 COCCOCCCCCC(=O)N 34a_100000123541_100011201679 [0,0,0,0,0,0|3,0,0]=3 1190 B12R0.234 COCCOCCCCCC(=O)N 34a_100000210237_100009817443 [0,0,0,0,0,0|3,0,0]=3 1191 B12R0.234 COCCOCCCCCC(=O)N 7a_100000123541_100000233755 [0,0,0,0,0,0|3,0,0]=3 1192 B12R0.234 COCCOCCCCCC(=O)[O-] 7a_100102619762_100000233755 [0,0,0,0,0,0|2,0,1]=3 1193 B12R0.234 COCCOCCCCOC(=O)C 34a_100000073216_100011201679 [0,0,0,0,0,0|4,0,0]=4 1194 B12R0.234 COCCOCCCCOC(=O)C 34a_100000210237_100000033659 [0,0,0,0,0,0|4,0,0]=4 1195 B12R0.234 COCCOCCCCOC(=O)C 7a_100000073216_100000233755 [0,0,0,0,0,0|4,0,0]=4 1196 B12R0.234 COCCOCCCCSC(=O)C 34a_100000210237_200010402107 [0,0,0,0,0,0|4,0,0]=4 1197 B12R0.234 COCCOCCCNCC(=O)N 2230a_100000206027_100000747473 [0,0,0,0,0,0|4,0,0]=4 1198 B12R0.234 COCCOCCCNCC(=O)N 2230a_100000711301_100011216529 [0,0,0,0,0,0|4,0,0]=4 1199 B12R0.234 COCCOCCCNCC(=O)N 34a_100000206027_100000187820 [0,0,0,0,0,0|4,0,0]=4 1200 B12R0.234 COCCOCCCNCC(=O)O 269956a_100016091260_100011216529 [0,0,0,0,0,0|3,0,0]=3 1201 B12R0.234 COCCOCCCNCC(=O)[O-] 34a_100000206027_100020667443 [0,0,0,0,0,0|3,0,1]=4 1202 B12R0.234 COCCOCCCOCC(=O)C 34a_100000211253_100011216529 [0,0,0,0,0,0|4,0,0]=4 1203 B12R0.234 COCCOCCCSCC(=O)N 62a_100000747473_100011216529 [0,0,0,0,0,0|4,0,0]=4 1204 B12R0.234 COCCOCCCSCC(=O)N 62a_100011216529_100000747473 [0,0,0,0,0,0|4,0,0]=4 1205 B12R0.234 COCCOCCCSCC(=O)[O-] 62a_100011216529_100020667443 [0,0,0,0,0,0|3,0,1]=4 1206 B12R0.234 COCCOCCCSCC(=O)[O-] 62a_100020667443_100011216529 [0,0,0,0,0,0|3,0,1]=4 1207 B12R0.234 COCCOCCNCCC(=O)N 2230a_100000745349_100000744528 [0,0,0,0,0,0|4,0,0]=4 1208 B12R0.234 COCCOCCNCCC(=O)N 34a_100000745349_100000731001 [0,0,0,0,0,0|4,0,0]=4 1209 B12R0.234 COCCOCCNOCC(=O)O 269956a_100000106656_100000695917 [0,0,0,0,0,0|4,0,0]=4 1210 B12R0.234 COCCOCCOCCC(=O)C 1458a_100000070787_100013367474 [0,0,0,0,0,0|4,0,0]=4 1211 B12R0.234 COCCOCCOCCC(=O)C 1458a_100012278103_200000210301 [0,0,0,0,0,0|4,0,0]=4 1212 B12R0.234 COCCOCCOCCC(=O)C 34a_100000759926_100000695917 [0,0,0,0,0,0|4,0,0]=4 1213 B12R0.234 COCCOCCOCCC(=O)C 7a_100000759926_100000695917 [0,0,0,0,0,0|4,0,0]=4 1214 B12R0.234 COCCOCCOCCC(=O)C 7a_100011215163_100000053229 [0,0,0,0,0,0|4,0,0]=4 1215 B12R0.234 COCCOCCOCCC(=O)N 34a_100000757172_100000695917 [0,0,0,0,0,0|4,0,0]=4 1216 B12R0.234 COCCOCCOCCC(=O)N 34a_100011215163_100000731001 [0,0,0,0,0,0|4,0,0]=4 1217 B12R0.234 COCCOCCOCCC(=O)N 7a_100000757172_100000695917 [0,0,0,0,0,0|4,0,0]=4 1218 B12R0.234 COCCOCCOCCC(=O)N 7a_100011215163_100000744528 [0,0,0,0,0,0|4,0,0]=4 1219 B12R0.234 COCCOCCOCCC(=O)[13CH3] 1458a_100012278103_200025704644 [0,0,0,0,0,0|4,0,0]=4 1220 B12R0.234 COCCOCCSCCC(=O)C 62a_100000053229_100000695917 [0,0,0,0,0,0|4,0,0]=4 1221 B12R0.234 COCCOCCSCCC(=O)C 62a_100000695917_100000053229 [0,0,0,0,0,0|4,0,0]=4 1222 B12R0.234 COCCOCCSCCC(=O)N 62a_100000695917_100000744528 [0,0,0,0,0,0|4,0,0]=4 1223 B12R0.234 COCCOCCSCCC(=O)N 62a_100000744528_100000695917 [0,0,0,0,0,0|4,0,0]=4 1224 B12R0.234 COCCOCSCCCC(=O)C 62a_100000231047_100011215641 [0,0,0,0,0,0|4,0,0]=4 1225 B12R0.234 COCCOCSCCCC(=O)C 62a_100011215641_100000231047 [0,0,0,0,0,0|4,0,0]=4 1226 B12R0.234 COCCOCSCCCC(=O)N 62a_100000231047_100102525003 [0,0,0,0,0,0|4,0,0]=4 1227 B12R0.234 COCCOCSCCCC(=O)N 62a_100102525003_100000231047 [0,0,0,0,0,0|4,0,0]=4 1228 B12R0.234 COCCSCCCCCB(O)O 62a_100000233755_200009817188 [0,0,0,0,0,0|3,0,1]=4 1229 B12R0.234 COCCSCCCCCB(O)O 62a_200009817188_100000233755 [0,0,0,0,0,0|3,0,1]=4 1230 B12R0.234 COCCSCCCCCC(=O)N 62a_100000233755_100009817443 [0,0,0,0,0,0|3,0,0]=3 1231 B12R0.234 COCCSCCCCCC(=O)N 62a_100009817443_100000233755 [0,0,0,0,0,0|3,0,0]=3 1232 B12R0.234 COCCSCCCCOC(=O)C 62a_100000033659_100000233755 [0,0,0,0,0,0|4,0,0]=4 1233 B12R0.234 COCCSCCCCOC(=O)C 62a_100000233755_100000033659 [0,0,0,0,0,0|4,0,0]=4 1234 B12R0.234 COCCSCCCCSC(=O)C 62a_100000233755_200010402107 [0,0,0,0,0,0|4,0,0]=4 1235 B12R0.234 COCCSCCCCSC(=O)C 62a_200010402107_100000233755 [0,0,0,0,0,0|4,0,0]=4 1236 B12R0.234 COCNCCCCCNC(=O)C 2230a_200012022750_100000766300 [0,0,0,0,0,0|4,0,0]=4 1237 B12R0.234 COCSCCCCCCB(O)O 62a_100000766300_100009817187 [0,0,0,0,0,0|3,0,1]=4 1238 B12R0.234 COCSCCCCCCB(O)O 62a_100009817187_100000766300 [0,0,0,0,0,0|3,0,1]=4 1239 B12R0.234 COCSCCCCCOC(=O)C 62a_100000033007_100000766300 [0,0,0,0,0,0|4,0,0]=4 1240 B12R0.234 COCSCCCCCOC(=O)C 62a_100000766300_100000033007 [0,0,0,0,0,0|4,0,0]=4 1241 B12R0.234 CS(=O)CCCNCCCCCF 2230a_200000753449_100000729378 [0,0,0,0,0,0|4,0,0]=4 1242 B12R0.234 CS(=O)CCCNCCCCCO 2230a_200000753449_100000746330 [0,0,0,0,0,0|4,0,0]=4 1243 B12R0.234 CSCCCCOCCCC(=O)C 34a_100011217163_100000685027 [0,0,0,0,0,0|3,0,0]=3 1244 B12R0.234 CSCCCCOCCCC(=O)C 7a_100011217163_100011215641 [0,0,0,0,0,0|3,0,0]=3 1245 B12R0.234 CSCCCCOCCCC(=O)N 34a_100011217163_100102525003 [0,0,0,0,0,0|3,0,0]=3 1246 B12R0.234 CSCCCCOCCCC(=O)N 7a_100011217163_100102525003 [0,0,0,0,0,0|3,0,0]=3 1247 B12R0.234 CSCCCCOCCCC(C)O 34a_100011217163_200000718107 [0,0,0,0,0,0|3,0,1]=4 1248 B12R0.234 CSCCCCOCCCC(C)O 7a_100011217163_200000718107 [0,0,0,0,0,0|3,0,1]=4 1249 B12R0.234 CSCCCCOCCNC(=O)C 7a_100011217163_100000189650 [0,0,0,0,0,0|4,0,0]=4 1250 B12R0.234 CSCCCCOCCNC(=O)N 7a_100011217163_200000034859 [0,0,0,0,0,0|4,0,0]=4 1251 B12R0.234 CSCCCCOCCOC(=O)C 34a_100011217163_100009814007 [0,0,0,0,0,0|4,0,0]=4 1252 B12R0.234 CSCCCCOCCOC(=O)C 7a_100011217163_100009814007 [0,0,0,0,0,0|4,0,0]=4 1253 B12R0.234 CSCCCCOCCOC(=O)N 34a_100011217163_200011214921 [0,0,0,0,0,0|4,0,0]=4 1254 B12R0.234 CSCCCCOCCOC(=O)N 7a_100011217163_200011214921 [0,0,0,0,0,0|4,0,0]=4 1255 B12R0.234 CSCCCNCCCCB(O)O 2230a_100000749238_200009817182 [0,0,0,0,0,0|3,0,1]=4 1256 B12R0.234 CSCCCNCCCSC(=O)C 2230a_100000749238_100000038929 [0,0,0,0,0,0|4,0,0]=4 1257 B12R0.234 CSCCCNCCOCC(=O)N 2230a_100000749238_100000076697 [0,0,0,0,0,0|4,0,0]=4 1258 B12R0.234 CSCCCOCCCCB(O)O 34a_100000690336_200009817182 [0,0,0,0,0,0|3,0,1]=4 1259 B12R0.234 CSCCCOCCCCB(O)O 7a_100000690336_200009817182 [0,0,0,0,0,0|3,0,1]=4 1260 B12R0.234 CSCCCOCCCCC(=O)C 34a_100000690336_100009817362 [0,0,0,0,0,0|3,0,0]=3 1261 B12R0.234 CSCCCOCCCCC(=O)C 7a_100000690336_100000735457 [0,0,0,0,0,0|3,0,0]=3 1262 B12R0.234 CSCCCOCCCOC(=O)C 34a_100000690336_100000042594 [0,0,0,0,0,0|4,0,0]=4 1263 B12R0.234 CSCCCOCCCOC(=O)C 7a_100000690336_100000042594 [0,0,0,0,0,0|4,0,0]=4 1264 B12R0.234 CSCCCOCCCSC(=O)C 34a_100000690336_100000038929 [0,0,0,0,0,0|4,0,0]=4 1265 B12R0.234 CSCCCOCCCSC(=O)C 7a_100000690336_100000038929 [0,0,0,0,0,0|4,0,0]=4 1266 B12R0.234 CSCCCOCCOCC(=O)N 34a_100000690336_100000076697 [0,0,0,0,0,0|4,0,0]=4 1267 B12R0.234 CSCCCOCCOCC(=O)N 7a_100000690336_100000076697 [0,0,0,0,0,0|4,0,0]=4 1268 B12R0.234 CSCCNCCCCCB(O)O 2230a_100020590264_200009817188 [0,0,0,0,0,0|3,0,1]=4 1269 B12R0.234 CSCCNCCCCCC(=O)N 2230a_100020590264_100009817443 [0,0,0,0,0,0|3,0,0]=3 1270 B12R0.234 CSCCNCCCCNC(=O)C 2230a_200011368371_100000751147 [0,0,0,0,0,0|4,0,0]=4 1271 B12R0.234 CSCCNCCCCNC(=O)C 34a_200011368371_100000212216 [0,0,0,0,0,0|4,0,0]=4 1272 B12R0.234 CSCCNCCCCSC(=O)C 2230a_100020590264_200010402107 [0,0,0,0,0,0|4,0,0]=4 1273 B12R0.234 CSCCOCCCCCB(O)O 34a_100000230434_200009817188 [0,0,0,0,0,0|3,0,1]=4 1274 B12R0.234 CSCCOCCCCCB(O)O 7a_100000230434_200009817188 [0,0,0,0,0,0|3,0,1]=4 1275 B12R0.234 CSCCOCCCCCC(=O)N 34a_100000123541_100000212216 [0,0,0,0,0,0|3,0,0]=3 1276 B12R0.234 CSCCOCCCCCC(=O)N 34a_100000230434_100009817443 [0,0,0,0,0,0|3,0,0]=3 1277 B12R0.234 CSCCOCCCCCC(=O)N 7a_100000123541_100000212216 [0,0,0,0,0,0|3,0,0]=3 1278 B12R0.234 CSCCOCCCCCC(=O)N 7a_100000230434_100009817443 [0,0,0,0,0,0|3,0,0]=3 1279 B12R0.234 CSCCOCCCCCC(=O)[O-] 7a_100102619762_100000212216 [0,0,0,0,0,0|2,0,1]=3 1280 B12R0.234 CSCCOCCCCOC(=O)C 34a_100000073216_100000212216 [0,0,0,0,0,0|4,0,0]=4 1281 B12R0.234 CSCCOCCCCOC(=O)C 34a_100000230434_100000033659 [0,0,0,0,0,0|4,0,0]=4 1282 B12R0.234 CSCCOCCCCOC(=O)C 7a_100000073216_100000212216 [0,0,0,0,0,0|4,0,0]=4 1283 B12R0.234 CSCCOCCCCOC(=O)C 7a_100000230434_100000033659 [0,0,0,0,0,0|4,0,0]=4 1284 B12R0.234 CSCCOCCCCSC(=O)C 34a_100000230434_200010402107 [0,0,0,0,0,0|4,0,0]=4 1285 B12R0.234 CSCCOCCCCSC(=O)C 7a_100000230434_200010402107 [0,0,0,0,0,0|4,0,0]=4 1286 B12R0.234 CSCCSCCCCCB(O)O 62a_100000212216_200009817188 [0,0,0,0,0,0|3,0,1]=4 1287 B12R0.234 CSCCSCCCCCB(O)O 62a_200009817188_100000751147 [0,0,0,0,0,0|3,0,1]=4 1288 B12R0.234 CSCCSCCCCCC(=O)N 62a_100000212216_100009817443 [0,0,0,0,0,0|3,0,0]=3 1289 B12R0.234 CSCCSCCCCCC(=O)N 62a_100009817443_100000751147 [0,0,0,0,0,0|3,0,0]=3 1290 B12R0.234 CSCCSCCCCOC(=O)C 62a_100000033659_100000751147 [0,0,0,0,0,0|4,0,0]=4 1291 B12R0.234 CSCCSCCCCOC(=O)C 62a_100000212216_100000033659 [0,0,0,0,0,0|4,0,0]=4 1292 B12R0.234 CSCCSCCCCSC(=O)C 62a_100000212216_200010402107 [0,0,0,0,0,0|4,0,0]=4 1293 B12R0.234 CSCCSCCCCSC(=O)C 62a_200010402107_100000751147 [0,0,0,0,0,0|4,0,0]=4 1294 B12R0.234 CSCNCCCCCNC(=O)C 2230a_200012022750_100011218213 [0,0,0,0,0,0|4,0,0]=4 1295 B12R0.234 CSCNCCCCCNC(=O)C 34a_200012022750_100011218213 [0,0,0,0,0,0|4,0,0]=4 1296 B12R0.234 CSCSCCCCCCB(O)O 62a_100009817187_100011218213 [0,0,0,0,0,0|3,0,1]=4 1297 B12R0.234 CSCSCCCCCCB(O)O 62a_100011218213_100009817187 [0,0,0,0,0,0|3,0,1]=4 1298 B12R0.234 CSCSCCCCCOC(=O)C 62a_100000033007_100011218213 [0,0,0,0,0,0|4,0,0]=4 1299 B12R0.234 CSCSCCCCCOC(=O)C 62a_100011218213_100000033007 [0,0,0,0,0,0|4,0,0]=4 1300 B12R0.234 C[C@@H](O)CNCCCCCCCO 2230a_100011996573_100009817552 [0,0,0,0,0,0|3,0,1]=4 1301 B12R0.234 C[C@@H](O)CNCCCCCCCO 34a_100011996573_100009817552 [0,0,0,0,0,0|3,0,1]=4 1302 B12R0.234 C[C@@H](O)COCCCCCCCBr 34a_100000760002_100009817552 [0,0,0,0,0,0|3,0,1]=4 1303 B12R0.234 C[C@@H](O)COCCCCCCCBr 7a_100000760002_100009817552 [0,0,0,0,0,0|3,0,1]=4 1304 B12R0.234 C[C@@H](O)COCCCCCCCN 34a_100011996573_100009817552 [0,0,0,0,0,0|3,0,1]=4 1305 B12R0.234 C[C@@H](O)CSCCCCCCCO 62a_100000760002_100009817552 [0,0,0,0,0,0|3,0,1]=4 1306 B12R0.234 C[C@@H](O)CSCCCCCCCO 62a_100009817552_100000760002 [0,0,0,0,0,0|3,0,1]=4 1307 B12R0.234 N#CCCCCCCNCC(=O)N 2230a_100000711301_100009813337 [0,0,0,0,0,0|3,0,1]=4 1308 B12R0.234 N#CCCCCCCNCC(=O)O 269956a_100016091260_100009813337 [0,0,0,0,0,0|2,0,1]=3 1309 B12R0.234 N#CCCCCCCSCC(=O)N 62a_100000747473_100009813337 [0,0,0,0,0,0|3,0,1]=4 1310 B12R0.234 N#CCCCCCCSCC(=O)N 62a_100009813337_100000747473 [0,0,0,0,0,0|3,0,1]=4 1311 B12R0.234 N#CCCCCCCSCC(=O)[O-] 62a_100009813337_100020667443 [0,0,0,0,0,0|2,0,2]=4 1312 B12R0.234 N#CCCCCCCSCC(=O)[O-] 62a_100020667443_100009813337 [0,0,0,0,0,0|2,0,2]=4 1313 B12R0.234 N#CCCCCCNOCC(=O)O 269956a_100000106656_100009813376 [0,0,0,0,0,0|3,0,1]=4 1314 B12R0.234 N#CCCCCCOCCC(=O)N 7a_100000757172_100009813376 [0,0,0,0,0,0|3,0,1]=4 1315 B12R0.234 N#CCCCCCSCCC(=O)N 62a_100000744528_100009813376 [0,0,0,0,0,0|3,0,1]=4 1316 B12R0.234 N#CCCCCCSCCC(=O)N 62a_100009813376_100000744528 [0,0,0,0,0,0|3,0,1]=4 1317 B12R0.234 N#CCCCCSCCCC(=O)N 62a_100011219923_100102525003 [0,0,0,0,0,0|3,0,1]=4 1318 B12R0.234 N#CCCCCSCCCC(=O)N 62a_100102525003_100000211819 [0,0,0,0,0,0|3,0,1]=4 1319 B12R0.234 N#CCCCNCCOCC(=O)O 269956a_100000700818_100000687738 [0,0,0,0,0,0|3,0,1]=4 1320 B12R0.234 N#CCCCOCCCCC(=O)N 7a_100012022536_100000687738 [0,0,0,0,0,0|3,0,1]=4 1321 B12R0.234 N#CCCOCCCCCC(=O)N 7a_100000123541_100000184422 [0,0,0,0,0,0|3,0,1]=4 1322 B12R0.234 N#CCCOCCCCCC(=O)[O-] 7a_100102619762_100000184422 [0,0,0,0,0,0|2,0,2]=4 1323 B12R0.234 N#CCCSCCCCCC(=O)N 62a_100009817443_100011215226 [0,0,0,0,0,0|3,0,1]=4 1324 B12R0.234 N#CCCSCCCCCC(=O)N 62a_100011215226_100009817443 [0,0,0,0,0,0|3,0,1]=4 1325 B12R0.234 NC(=O)CCCCCNCCCF 2230a_100015189416_100009817443 [0,0,0,0,0,0|3,0,0]=3 1326 B12R0.234 NC(=O)CCCCCNCCCF 34a_100015189416_100009817443 [0,0,0,0,0,0|3,0,0]=3 1327 B12R0.234 NC(=O)CCCCCOCCCBr 34a_100011217188_100009817443 [0,0,0,0,0,0|3,0,0]=3 1328 B12R0.234 NC(=O)CCCCCOCCCCl 34a_100000230001_100009817443 [0,0,0,0,0,0|3,0,0]=3 1329 B12R0.234 NC(=O)CCCCCOCCCF 34a_100000123541_100011934791 [0,0,0,0,0,0|3,0,0]=3 1330 B12R0.234 NC(=O)CCCCCOCCCF 34a_100000759539_100009817443 [0,0,0,0,0,0|3,0,0]=3 1331 B12R0.234 NC(=O)CCCCCOCCCF 7a_100000123541_100011934791 [0,0,0,0,0,0|3,0,0]=3 1332 B12R0.234 NC(=O)CCCCCOCCCO 34a_100000123541_100000230001 [0,0,0,0,0,0|3,0,0]=3 1333 B12R0.234 NC(=O)CCCCCOCCCO 7a_100000123541_100011215043 [0,0,0,0,0,0|3,0,0]=3 1334 B12R0.234 NC(=O)CCCCCSCCCF 62a_100009817443_100011934791 [0,0,0,0,0,0|3,0,0]=3 1335 B12R0.234 NC(=O)CCCCCSCCCF 62a_100011934791_100009817443 [0,0,0,0,0,0|3,0,0]=3 1336 B12R0.234 NC(=O)CCCCCSCCCO 62a_100009817443_100011215043 [0,0,0,0,0,0|3,0,0]=3 1337 B12R0.234 NC(=O)CCCCCSCCCO 62a_100011215043_100009817443 [0,0,0,0,0,0|3,0,0]=3 1338 B12R0.234 NC(=O)CCCCNCCCCF 34a_100000696515_100000729493 [0,0,0,0,0,0|3,0,0]=3 1339 B12R0.234 NC(=O)CCCCNCCCCO 34a_100000696515_100011216708 [0,0,0,0,0,0|3,0,0]=3 1340 B12R0.234 NC(=O)CCCCOCCCC=O 7a_100012022536_200011292268 [0,0,0,0,0,0|3,0,1]=4 1341 B12R0.234 NC(=O)CCCCOCCCCF 34a_100012022536_100000729493 [0,0,0,0,0,0|3,0,0]=3 1342 B12R0.234 NC(=O)CCCCOCCCCF 7a_100012022536_100000729493 [0,0,0,0,0,0|3,0,0]=3 1343 B12R0.234 NC(=O)CCCCOCCCCO 34a_100012022536_100011216708 [0,0,0,0,0,0|3,0,0]=3 1344 B12R0.234 NC(=O)CCCCOCCCCO 7a_100012022536_100000210776 [0,0,0,0,0,0|3,0,0]=3 1345 B12R0.234 NC(=O)CCCNCCCCCF 34a_100000739312_100000729378 [0,0,0,0,0,0|3,0,0]=3 1346 B12R0.234 NC(=O)CCCNCCCCCO 34a_100000739312_100000746330 [0,0,0,0,0,0|3,0,0]=3 1347 B12R0.234 NC(=O)CCCNCCCCCO 34a_100000762737_100102525003 [0,0,0,0,0,0|3,0,0]=3 1348 B12R0.234 NC(=O)CCCNCCOCCO 34a_100000211614_100102525003 [0,0,0,0,0,0|4,0,0]=4 1349 B12R0.234 NC(=O)CCCNCCOCCO 34a_100000739312_100000692535 [0,0,0,0,0,0|4,0,0]=4 1350 B12R0.234 NC(=O)CCCOCCCCCBr 34a_100000746331_100102525003 [0,0,0,0,0,0|3,0,0]=3 1351 B12R0.234 NC(=O)CCCOCCCCCBr 7a_100000746331_100102525003 [0,0,0,0,0,0|3,0,0]=3 1352 B12R0.234 NC(=O)CCCOCCCCCCl 34a_100000746330_100102525003 [0,0,0,0,0,0|3,0,0]=3 1353 B12R0.234 NC(=O)CCCOCCCCCCl 7a_100000746330_100102525003 [0,0,0,0,0,0|3,0,0]=3 1354 B12R0.234 NC(=O)CCCOCCCCCI 34a_200012148887_100102525003 [0,0,0,0,0,0|3,0,0]=3 1355 B12R0.234 NC(=O)CCCOCCCCCI 7a_200012148887_100102525003 [0,0,0,0,0,0|3,0,0]=3 1356 B12R0.234 NC(=O)CCCOCCOCCBr 34a_100000692535_100102525003 [0,0,0,0,0,0|4,0,0]=4 1357 B12R0.234 NC(=O)CCCOCCOCCBr 7a_100000692535_100102525003 [0,0,0,0,0,0|4,0,0]=4 1358 B12R0.234 NC(=O)CCCOCCOCCCl 34a_100011215305_100102525003 [0,0,0,0,0,0|4,0,0]=4 1359 B12R0.234 NC(=O)CCCOCCOCCCl 7a_100011215305_100102525003 [0,0,0,0,0,0|4,0,0]=4 1360 B12R0.234 NC(=O)CCCOCCOCCF 34a_200015357709_100102525003 [0,0,0,0,0,0|4,0,0]=4 1361 B12R0.234 NC(=O)CCCOCCOCCF 7a_200015357709_100102525003 [0,0,0,0,0,0|4,0,0]=4 1362 B12R0.234 NC(=O)CCCOCCOCCI 34a_100012149058_100102525003 [0,0,0,0,0,0|4,0,0]=4 1363 B12R0.234 NC(=O)CCCOCCOCCI 7a_100012149058_100102525003 [0,0,0,0,0,0|4,0,0]=4 1364 B12R0.234 NC(=O)CCCSCCCCC=O 62a_100000139335_100102525003 [0,0,0,0,0,0|3,0,1]=4 1365 B12R0.234 NC(=O)CCCSCCCCC=O 62a_100102525003_100000139335 [0,0,0,0,0,0|3,0,1]=4 1366 B12R0.234 NC(=O)CCCSCCCCCF 62a_100000729378_100102525003 [0,0,0,0,0,0|3,0,0]=3 1367 B12R0.234 NC(=O)CCCSCCCCCF 62a_100102525003_100000729378 [0,0,0,0,0,0|3,0,0]=3 1368 B12R0.234 NC(=O)CCCSCCCCCO 62a_100000746330_100102525003 [0,0,0,0,0,0|3,0,0]=3 1369 B12R0.234 NC(=O)CCCSCCCCCO 62a_100102525003_100000746330 [0,0,0,0,0,0|3,0,0]=3 1370 B12R0.234 NC(=O)CCCSCCOCCO 62a_100011215305_100102525003 [0,0,0,0,0,0|4,0,0]=4 1371 B12R0.234 NC(=O)CCCSCCOCCO 62a_100102525003_100011215305 [0,0,0,0,0,0|4,0,0]=4 1372 B12R0.234 NC(=O)CCNCCCCCCO 2230a_100000686447_100000744528 [0,0,0,0,0,0|3,0,0]=3 1373 B12R0.234 NC(=O)CCNCCCCCCO 34a_100000686447_100000731001 [0,0,0,0,0,0|3,0,0]=3 1374 B12R0.234 NC(=O)CCOCCCCCC=O 7a_100000757172_100000139337 [0,0,0,0,0,0|3,0,1]=4 1375 B12R0.234 NC(=O)CCOCCCCCCBr 34a_100011215345_100000731001 [0,0,0,0,0,0|3,0,0]=3 1376 B12R0.234 NC(=O)CCOCCCCCCBr 7a_100011215345_100000744528 [0,0,0,0,0,0|3,0,0]=3 1377 B12R0.234 NC(=O)CCOCCCCCCCl 34a_100000766143_100000731001 [0,0,0,0,0,0|3,0,0]=3 1378 B12R0.234 NC(=O)CCOCCCCCCCl 7a_100000766143_100000744528 [0,0,0,0,0,0|3,0,0]=3 1379 B12R0.234 NC(=O)CCOCCCCCCF 34a_100000732779_100000731001 [0,0,0,0,0,0|3,0,0]=3 1380 B12R0.234 NC(=O)CCOCCCCCCF 34a_100000757172_100015922095 [0,0,0,0,0,0|3,0,0]=3 1381 B12R0.234 NC(=O)CCOCCCCCCF 7a_100000732779_100000744528 [0,0,0,0,0,0|3,0,0]=3 1382 B12R0.234 NC(=O)CCOCCCCCCF 7a_100000757172_100015922095 [0,0,0,0,0,0|3,0,0]=3 1383 B12R0.234 NC(=O)CCOCCCCCCO 34a_100000757172_100000766143 [0,0,0,0,0,0|3,0,0]=3 1384 B12R0.234 NC(=O)CCOCCCCCCO 7a_100000757172_100000766143 [0,0,0,0,0,0|3,0,0]=3 1385 B12R0.234 NC(=O)CCSCCCCCC=O 62a_100000139337_100000744528 [0,0,0,0,0,0|3,0,1]=4 1386 B12R0.234 NC(=O)CCSCCCCCC=O 62a_100000744528_100000139337 [0,0,0,0,0,0|3,0,1]=4 1387 B12R0.234 NC(=O)CCSCCCCCCF 62a_100000744528_100015922095 [0,0,0,0,0,0|3,0,0]=3 1388 B12R0.234 NC(=O)CCSCCCCCCF 62a_100015922095_100000744528 [0,0,0,0,0,0|3,0,0]=3 1389 B12R0.234 NC(=O)CCSCCCCCCO 62a_100000744528_100000766143 [0,0,0,0,0,0|3,0,0]=3 1390 B12R0.234 NC(=O)CCSCCCCCCO 62a_100000766143_100000744528 [0,0,0,0,0,0|3,0,0]=3 1391 B12R0.234 NC(=O)CNCCCCCCCO 2230a_100000711301_100000760002 [0,0,0,0,0,0|3,0,0]=3 1392 B12R0.234 NC(=O)CNCCCCCCCO 2230a_100011996573_100000747473 [0,0,0,0,0,0|3,0,0]=3 1393 B12R0.234 NC(=O)CNCCCCCCCO 34a_100011996573_100000187820 [0,0,0,0,0,0|3,0,0]=3 1394 B12R0.234 NC(=O)CNCCCOCCCO 2230a_100011310245_100000747473 [0,0,0,0,0,0|4,0,0]=4 1395 B12R0.234 NC(=O)CNCCCOCCCO 34a_100011310245_100000187820 [0,0,0,0,0,0|4,0,0]=4 1396 B12R0.234 NC(=O)COCCCCCCCBr 34a_100000760002_100000187820 [0,0,0,0,0,0|3,0,0]=3 1397 B12R0.234 NC(=O)COCCCCCCCBr 7a_100000760002_100000187820 [0,0,0,0,0,0|3,0,0]=3 1398 B12R0.234 NC(=O)COCCNCCCCO 2230a_100000750430_100000076697 [0,0,0,0,0,0|4,0,0]=4 1399 B12R0.234 NC(=O)COCCNCCCCO 34a_100000750430_100000076697 [0,0,0,0,0,0|4,0,0]=4 1400 B12R0.234 NC(=O)COCCOCCCCBr 34a_100011216708_100000076697 [0,0,0,0,0,0|4,0,0]=4 1401 B12R0.234 NC(=O)COCCOCCCCCl 34a_100000210776_100000076697 [0,0,0,0,0,0|4,0,0]=4 1402 B12R0.234 NC(=O)COCCOCCCCCl 7a_100000210776_100000076697 [0,0,0,0,0,0|4,0,0]=4 1403 B12R0.234 NC(=O)COCCOCCCCF 34a_100011995726_100000076697 [0,0,0,0,0,0|4,0,0]=4 1404 B12R0.234 NC(=O)COCCOCCCCF 7a_100011995726_100000076697 [0,0,0,0,0,0|4,0,0]=4 1405 B12R0.234 NC(=O)COCCOCCCCI 34a_200012148704_100000076697 [0,0,0,0,0,0|4,0,0]=4 1406 B12R0.234 NC(=O)COCCSCCCCF 62a_100000076697_100000729493 [0,0,0,0,0,0|4,0,0]=4 1407 B12R0.234 NC(=O)COCCSCCCCF 62a_100000729493_100000076697 [0,0,0,0,0,0|4,0,0]=4 1408 B12R0.234 NC(=O)COCCSCCCCO 62a_100000076697_100000210776 [0,0,0,0,0,0|4,0,0]=4 1409 B12R0.234 NC(=O)COCCSCCCCO 62a_100000210776_100000076697 [0,0,0,0,0,0|4,0,0]=4 1410 B12R0.234 NC(=O)CSCCCCCCCO 62a_100000747473_100000760002 [0,0,0,0,0,0|3,0,0]=3 1411 B12R0.234 NC(=O)CSCCCCCCCO 62a_100000760002_100000747473 [0,0,0,0,0,0|3,0,0]=3 1412 B12R0.234 NC(=O)NCCNCCCCCF 34a_100020590234_100000729378 [0,0,0,0,0,0|4,0,0]=4 1413 B12R0.234 NC(=O)NCCNCCCCCO 2230a_100000762737_200000034859 [0,0,0,0,0,0|4,0,0]=4 1414 B12R0.234 NC(=O)NCCNCCCCCO 34a_100020590234_100000746330 [0,0,0,0,0,0|4,0,0]=4 1415 B12R0.234 NC(=O)NCCOCCCCCBr 7a_100000746331_200000034859 [0,0,0,0,0,0|4,0,0]=4 1416 B12R0.234 NC(=O)NCCOCCCCCCl 7a_100000746330_200000034859 [0,0,0,0,0,0|4,0,0]=4 1417 B12R0.234 NC(=O)NCCOCCCCCF 34a_100000181757_100000729378 [0,0,0,0,0,0|4,0,0]=4 1418 B12R0.234 NC(=O)NCCOCCCCCI 7a_200012148887_200000034859 [0,0,0,0,0,0|4,0,0]=4 1419 B12R0.234 NC(=O)NCCOCCCCCO 34a_100000181757_100000746330 [0,0,0,0,0,0|4,0,0]=4 1420 B12R0.234 NC(=O)NCCSCCCCCF 62a_100000729378_200000034859 [0,0,0,0,0,0|4,0,0]=4 1421 B12R0.234 NC(=O)NCCSCCCCCF 62a_200000034859_100000729378 [0,0,0,0,0,0|4,0,0]=4 1422 B12R0.234 NC(=O)NCCSCCCCCO 62a_100000746330_200000034859 [0,0,0,0,0,0|4,0,0]=4 1423 B12R0.234 NC(=O)NCCSCCCCCO 62a_200000034859_100000746330 [0,0,0,0,0,0|4,0,0]=4 1424 B12R0.234 NC(=O)OCCNCCCCCO 34a_100000762737_200011214921 [0,0,0,0,0,0|4,0,0]=4 1425 B12R0.234 NC(=O)OCCOCCCCCBr 34a_100000746331_200011214921 [0,0,0,0,0,0|4,0,0]=4 1426 B12R0.234 NC(=O)OCCOCCCCCBr 7a_100000746331_200011214921 [0,0,0,0,0,0|4,0,0]=4 1427 B12R0.234 NC(=O)OCCOCCCCCCl 34a_100000746330_200011214921 [0,0,0,0,0,0|4,0,0]=4 1428 B12R0.234 NC(=O)OCCOCCCCCCl 7a_100000746330_200011214921 [0,0,0,0,0,0|4,0,0]=4 1429 B12R0.234 NC(=O)OCCOCCCCCF 7a_100000766696_100000729378 [0,0,0,0,0,0|4,0,0]=4 1430 B12R0.234 NC(=O)OCCOCCCCCI 34a_200012148887_200011214921 [0,0,0,0,0,0|4,0,0]=4 1431 B12R0.234 NC(=O)OCCOCCCCCI 7a_200012148887_200011214921 [0,0,0,0,0,0|4,0,0]=4 1432 B12R0.234 NC(=O)OCCOCCCCCO 7a_100000766696_100000746330 [0,0,0,0,0,0|4,0,0]=4 1433 B12R0.234 NC(=O)OCCSCCCCCF 62a_100000729378_200011214921 [0,0,0,0,0,0|4,0,0]=4 1434 B12R0.234 NC(=O)OCCSCCCCCF 62a_200011214921_100000729378 [0,0,0,0,0,0|4,0,0]=4 1435 B12R0.234 NC(=O)OCCSCCCCCO 62a_100000746330_200011214921 [0,0,0,0,0,0|4,0,0]=4 1436 B12R0.234 NC(=O)OCCSCCCCCO 62a_200011214921_100000746330 [0,0,0,0,0,0|4,0,0]=4 1437 B12R0.234 NCCCCCCCOCC(=O)N 34a_100011996573_100000187820 [0,0,0,0,0,0|3,0,0]=3 1438 B12R0.234 NCCCCCCCOCC(=O)[O-] 34a_100011996573_100020667443 [0,0,0,0,0,0|2,0,1]=3 1439 B12R0.234 NCCCCCCCOC[N+](=O)[O-] 34a_100011996573_100000761209 [0,0,0,0,0,0|3,0,1]=4 1440 B12R0.234 NCCCCCCOCCC(=O)N 34a_100000686447_100000731001 [0,0,0,0,0,0|3,0,0]=3 1441 B12R0.234 NCCCCCOCCCC(=O)N 34a_100000762737_100102525003 [0,0,0,0,0,0|3,0,0]=3 1442 B12R0.234 NCCCCCOCCOC(=O)N 34a_100000762737_200011214921 [0,0,0,0,0,0|4,0,0]=4 1443 B12R0.234 NCCCCOCCCCB(O)O 34a_100000750430_200009817182 [0,0,0,0,0,0|3,0,1]=4 1444 B12R0.234 NCCCCOCCOCC(=O)N 34a_100000750430_100000076697 [0,0,0,0,0,0|4,0,0]=4 1445 B12R0.234 NCCCOCCCCCB(O)O 34a_100000182051_200009817188 [0,0,0,0,0,0|3,0,1]=4 1446 B12R0.234 NCCCOCCCCCC(=O)N 34a_100000182051_100009817443 [0,0,0,0,0,0|3,0,0]=3 1447 B12R0.234 NCCCOCCCOCC(=O)N 34a_100011310245_100000187820 [0,0,0,0,0,0|4,0,0]=4 1448 B12R0.234 NCCCOCCCOCC(=O)[O-] 34a_100011310245_100020667443 [0,0,0,0,0,0|3,0,1]=4 1449 B12R0.234 NCCOCCCCCCB(O)O 34a_100000210304_100009817187 [0,0,0,0,0,0|3,0,1]=4 1450 B12R0.234 NCCOCCOCCCC(=O)N 34a_100000211614_100102525003 [0,0,0,0,0,0|4,0,0]=4 1451 B12R0.234 NOCCOCCCCCC(=O)N 34a_100000700252_100009817443 [0,0,0,0,0,0|4,0,0]=4 1452 B12R0.234 O=C(O)CNCCCCCCCO 269956a_100016091260_100000760002 [0,0,0,0,0,0|2,0,0]=2 1453 B12R0.234 O=C(O)COCCNCCCCF 269956a_100000700818_100000729493 [0,0,0,0,0,0|3,0,0]=3 1454 B12R0.234 O=C(O)COCCNCCCCO 269956a_100000700818_100000210776 [0,0,0,0,0,0|3,0,0]=3 1455 B12R0.234 O=C(O)COCCOCCNCF 269956a_100009854275_100015361967 [0,0,0,0,0,0|4,0,0]=4 1456 B12R0.234 O=C(O)CONCCCCCCF 269956a_100000106656_100015922095 [0,0,0,0,0,0|3,0,0]=3 1457 B12R0.234 O=C(O)CONCCCCCCO 269956a_100000106656_100000766143 [0,0,0,0,0,0|3,0,0]=3 1458 B12R0.234 O=C([O-])CCCCCOCCCF 7a_100102619762_100011934791 [0,0,0,0,0,0|2,0,1]=3 1459 B12R0.234 O=C([O-])CCCCCOCCCO 7a_100102619762_100011215043 [0,0,0,0,0,0|2,0,1]=3 1460 B12R0.234 O=C([O-])CNCCCCCCCO 34a_100011996573_100020667443 [0,0,0,0,0,0|2,0,1]=3 1461 B12R0.234 O=C([O-])CNCCCOCCCO 34a_100011310245_100020667443 [0,0,0,0,0,0|3,0,1]=4 1462 B12R0.234 O=C([O-])COCCCCCCCBr 34a_100000760002_100020667443 [0,0,0,0,0,0|2,0,1]=3 1463 B12R0.234 O=C([O-])CSCCCCCCCO 62a_100000760002_100020667443 [0,0,0,0,0,0|2,0,1]=3 1464 B12R0.234 O=C([O-])CSCCCCCCCO 62a_100020667443_100000760002 [0,0,0,0,0,0|2,0,1]=3 1465 B12R0.234 O=CCCCCCNOCC(=O)O 269956a_100000106656_100000139337 [0,0,0,0,0,0|3,0,1]=4 1466 B12R0.234 O=CCCCNCCOCC(=O)O 269956a_100000700818_200011292268 [0,0,0,0,0,0|3,0,1]=4 1467 B12R0.234 O=[N+]([O-])CCCCOCCCCF 34a_200015379883_100000729493 [0,0,0,0,0,0|3,0,1]=4 1468 B12R0.234 O=[N+]([O-])CCCCOCCCCF 7a_200015379883_100000729493 [0,0,0,0,0,0|3,0,1]=4 1469 B12R0.234 O=[N+]([O-])CCCCOCCCCO 34a_200015379883_100011216708 [0,0,0,0,0,0|3,0,1]=4 1470 B12R0.234 O=[N+]([O-])CCCCOCCCCO 7a_200015379883_100000210776 [0,0,0,0,0,0|3,0,1]=4 1471 B12R0.234 O=[N+]([O-])CCCOCCCCCF 34a_200000037920_100000729378 [0,0,0,0,0,0|3,0,1]=4 1472 B12R0.234 O=[N+]([O-])CCCOCCCCCO 34a_200000037920_100000746330 [0,0,0,0,0,0|3,0,1]=4 1473 B12R0.234 O=[N+]([O-])CNCCCCCCCO 34a_100011996573_100000761209 [0,0,0,0,0,0|3,0,1]=4 1474 B12R0.234 O=[N+]([O-])COCCCCCCCBr 34a_100000760002_100000761209 [0,0,0,0,0,0|3,0,1]=4 1475 B12R0.234 O=[N+]([O-])CSCCCCCCCO 62a_100000760002_100000761209 [0,0,0,0,0,0|3,0,1]=4 1476 B12R0.234 OB(O)CCCCCCNCCF 34a_100000724931_100009817187 [0,0,0,0,0,0|3,0,1]=4 1477 B12R0.234 OB(O)CCCCCCOCCBr 34a_100000211926_100009817187 [0,0,0,0,0,0|3,0,1]=4 1478 B12R0.234 OB(O)CCCCCCSCCF 62a_100009817187_100011217306 [0,0,0,0,0,0|3,0,1]=4 1479 B12R0.234 OB(O)CCCCCCSCCF 62a_100011217306_100009817187 [0,0,0,0,0,0|3,0,1]=4 1480 B12R0.234 OB(O)CCCCCNCCCF 2230a_100015189416_200009817188 [0,0,0,0,0,0|3,0,1]=4 1481 B12R0.234 OB(O)CCCCCNCCCF 34a_100015189416_200009817188 [0,0,0,0,0,0|3,0,1]=4 1482 B12R0.234 OB(O)CCCCCOCCCBr 34a_100011217188_200009817188 [0,0,0,0,0,0|3,0,1]=4 1483 B12R0.234 OB(O)CCCCCOCCCCl 34a_100000230001_200009817188 [0,0,0,0,0,0|3,0,1]=4 1484 B12R0.234 OB(O)CCCCCOCCCF 34a_100000759539_200009817188 [0,0,0,0,0,0|3,0,1]=4 1485 B12R0.234 OB(O)CCCCCSCCCF 62a_100011934791_200009817188 [0,0,0,0,0,0|3,0,1]=4 1486 B12R0.234 OB(O)CCCCCSCCCF 62a_200009817188_100011934791 [0,0,0,0,0,0|3,0,1]=4 1487 B12R0.234 OB(O)CCCCOCCCCBr 34a_100011216708_200009817182 [0,0,0,0,0,0|3,0,1]=4 1488 B12R0.234 OB(O)CCCCOCCCCCl 34a_100000210776_200009817182 [0,0,0,0,0,0|3,0,1]=4 1489 B12R0.234 OB(O)CCCCOCCCCCl 7a_100000210776_200009817182 [0,0,0,0,0,0|3,0,1]=4 1490 B12R0.234 OB(O)CCCCOCCCCF 34a_100011995726_200009817182 [0,0,0,0,0,0|3,0,1]=4 1491 B12R0.234 OB(O)CCCCOCCCCF 7a_100011995726_200009817182 [0,0,0,0,0,0|3,0,1]=4 1492 B12R0.234 OB(O)CCCCOCCCCI 34a_200012148704_200009817182 [0,0,0,0,0,0|3,0,1]=4 1493 B12R0.234 OB(O)CCCCSCCCCF 62a_100000729493_200009817182 [0,0,0,0,0,0|3,0,1]=4 1494 B12R0.234 OB(O)CCCCSCCCCF 62a_200009817182_100000729493 [0,0,0,0,0,0|3,0,1]=4 1495 B12R0.234 OCCCCNCCCCB(O)O 2230a_100000750430_200009817182 [0,0,0,0,0,0|3,0,1]=4 1496 B12R0.234 OCCCCNCCCCB(O)O 34a_100000750430_200009817182 [0,0,0,0,0,0|3,0,1]=4 1497 B12R0.234 OCCCCSCCCCB(O)O 62a_100000210776_200009817182 [0,0,0,0,0,0|3,0,1]=4 1498 B12R0.234 OCCCCSCCCCB(O)O 62a_200009817182_100000210776 [0,0,0,0,0,0|3,0,1]=4 1499 B12R0.234 OCCCSCCCCCB(O)O 62a_100011215043_200009817188 [0,0,0,0,0,0|3,0,1]=4 1500 B12R0.234 OCCCSCCCCCB(O)O 62a_200009817188_100011215043 [0,0,0,0,0,0|3,0,1]=4 1501 B12R0.234 OCCNCCCCCCB(O)O 2230a_100016997473_100009817187 [0,0,0,0,0,0|3,0,1]=4 1502 B12R0.234 OCCNCCCCCCB(O)O 34a_100016990907_100009817187 [0,0,0,0,0,0|3,0,1]=4 1503 B12R0.234 OCCSCCCCCCB(O)O 62a_100000211926_100009817187 [0,0,0,0,0,0|3,0,1]=4 1504 B12R0.234 OCCSCCCCCCB(O)O 62a_100009817187_100000211926 [0,0,0,0,0,0|3,0,1]=4 1505 B12R0.234 [13CH3]C(=O)CCCCCCCCCF 1458a_200009909015_200025704644 [0,0,0,0,0,0|2,0,0]=2 1506 B11R0.3 C#CCCCCCCCCOC 34a_100000065265_200000210301 [1,0,0,0,0,0|2,0,1]=4 1507 B11R0.3 C#CCCCCCCCCOC 7a_100000065265_200000210301 [1,0,0,0,0,0|2,0,1]=4 1508 B11R0.3 C#CCCCCCCCCO[13CH3] 34a_100000065265_200025704644 [1,0,0,0,0,0|2,0,1]=4 1509 B11R0.3 C#CCCCCCCCCO[13CH3] 7a_100000065265_200025704644 [1,0,0,0,0,0|2,0,1]=4 1510 B11R0.3 C#CCCCCCCCNCC 2230a_100015525214_100153394163 [1,0,0,0,0,0|2,0,1]=4 1511 B11R0.3 C#CCCCCCCCOCC 34a_100000054614_100000210202 [1,0,0,0,0,0|2,0,1]=4 1512 B11R0.3 C#CCCCCCCCOCC 34a_100121572206_100153394163 [1,0,0,0,0,0|2,0,1]=4 1513 B11R0.3 C#CCCCCCCCOCC 7a_100000054614_100000210202 [1,0,0,0,0,0|2,0,1]=4 1514 B11R0.3 C#CCCCCCCCSCC 62a_100000210202_100153394163 [1,0,0,0,0,0|2,0,1]=4 1515 B11R0.3 C#CCCCCCCCSCC 62a_100153394163_100000210202 [1,0,0,0,0,0|2,0,1]=4 1516 B11R0.3 C#CCCCCCCOCC=O 34a_100011217361_200009817547 [1,0,0,0,0,0|1,0,2]=4 1517 B11R0.3 C#CCCCCCCOCC=O 7a_100011217361_200015260668 [1,0,0,0,0,0|1,0,2]=4 1518 B11R0.3 C#CCCCCCCOCCC 34a_100000210258_100012276617 [1,0,0,0,0,0|2,0,1]=4 1519 B11R0.3 C#CCCCCCCOCCC 34a_100011217361_100000210303 [1,0,0,0,0,0|2,0,1]=4 1520 B11R0.3 C#CCCCCCCOCCC 7a_100011217361_100000210303 [1,0,0,0,0,0|2,0,1]=4 1521 B11R0.3 C#CCCCCCCSCC=O 62a_100012276617_200015260668 [1,0,0,0,0,0|1,0,2]=4 1522 B11R0.3 C#CCCCCCCSCC=O 62a_200015260668_100012276617 [1,0,0,0,0,0|1,0,2]=4 1523 B11R0.3 C#CCCCCCCSCCC 62a_100000210303_100012276617 [1,0,0,0,0,0|2,0,1]=4 1524 B11R0.3 C#CCCCCCCSCCC 62a_100012276617_100000210303 [1,0,0,0,0,0|2,0,1]=4 1525 B11R0.3 C#CCCCCCNCCCC 2230a_100000102301_100012094781 [1,0,0,0,0,0|2,0,1]=4 1526 B11R0.3 C#CCCCCCNCCCC 7a_106832991798_100012094781 [1,0,0,0,0,0|2,0,1]=4 1527 B11R0.3 C#CCCCCCOCCCC 34a_100000210227_100012094781 [1,0,0,0,0,0|2,0,1]=4 1528 B11R0.3 C#CCCCCCOCCCC 34a_100000766912_100000210210 [1,0,0,0,0,0|2,0,1]=4 1529 B11R0.3 C#CCCCCCOCCCC 7a_100000210227_100012094781 [1,0,0,0,0,0|2,0,1]=4 1530 B11R0.3 C#CCCCCCOCCCC 7a_100000766912_100000210211 [1,0,0,0,0,0|2,0,1]=4 1531 B11R0.3 C#CCCCCCSCCCC 62a_100000210211_100012094781 [1,0,0,0,0,0|2,0,1]=4 1532 B11R0.3 C#CCCCCCSCCCC 62a_100012094781_100000210210 [1,0,0,0,0,0|2,0,1]=4 1533 B11R0.3 C#CCCCCNCCCC=O 2230a_100000706060_200011292268 [1,0,0,0,0,0|1,0,2]=4 1534 B11R0.3 C#CCCCCNCCCCC 2230a_100000209983_100010269958 [1,0,0,0,0,0|2,0,1]=4 1535 B11R0.3 C#CCCCCNCCCCC 2230a_100000706060_100000210326 [1,0,0,0,0,0|2,0,1]=4 1536 B11R0.3 C#CCCCCNCCCCC 34a_100000706060_100000718602 [1,0,0,0,0,0|2,0,1]=4 1537 B11R0.3 C#CCCCCOCCCC=O 7a_100000766709_200011292268 [1,0,0,0,0,0|1,0,2]=4 1538 B11R0.3 C#CCCCCOCCCCC 34a_100000210253_100010269958 [1,0,0,0,0,0|2,0,1]=4 1539 B11R0.3 C#CCCCCOCCCCC 34a_100000766709_100000718602 [1,0,0,0,0,0|2,0,1]=4 1540 B11R0.3 C#CCCCCOCCCCC 7a_100000210253_100010269958 [1,0,0,0,0,0|2,0,1]=4 1541 B11R0.3 C#CCCCCOCCCCC 7a_100000766709_100000210326 [1,0,0,0,0,0|2,0,1]=4 1542 B11R0.3 C#CCCCCSCCCC=O 62a_100010269958_200011292268 [1,0,0,0,0,0|1,0,2]=4 1543 B11R0.3 C#CCCCCSCCCC=O 62a_200011292268_100010269958 [1,0,0,0,0,0|1,0,2]=4 1544 B11R0.3 C#CCCCCSCCCCC 62a_100000210326_100010269958 [1,0,0,0,0,0|2,0,1]=4 1545 B11R0.3 C#CCCCCSCCCCC 62a_100010269958_100000210326 [1,0,0,0,0,0|2,0,1]=4 1546 B11R0.3 C#CCCCNCCCCCC 2230a_100000210581_100000731252 [1,0,0,0,0,0|2,0,1]=4 1547 B11R0.3 C#CCCCNCCCCCC 34a_100000718082_100000210314 [1,0,0,0,0,0|2,0,1]=4 1548 B11R0.3 C#CCCCOCCCCC=O 7a_100000215630_100000139335 [1,0,0,0,0,0|1,0,2]=4 1549 B11R0.3 C#CCCCOCCCCCC 34a_100000210259_100000695029 [1,0,0,0,0,0|2,0,1]=4 1550 B11R0.3 C#CCCCOCCCCCC 34a_100000215630_100000210314 [1,0,0,0,0,0|2,0,1]=4 1551 B11R0.3 C#CCCCOCCCCCC 7a_100000210259_100011215417 [1,0,0,0,0,0|2,0,1]=4 1552 B11R0.3 C#CCCCOCCCCCC 7a_100000215630_100000210314 [1,0,0,0,0,0|2,0,1]=4 1553 B11R0.3 C#CCCCSCCCCC=O 62a_100000139335_100011215417 [1,0,0,0,0,0|1,0,2]=4 1554 B11R0.3 C#CCCCSCCCCC=O 62a_100011215417_100000139335 [1,0,0,0,0,0|1,0,2]=4 1555 B11R0.3 C#CCCCSCCCCCC 62a_100000210314_100011215417 [1,0,0,0,0,0|2,0,1]=4 1556 B11R0.3 C#CCCCSCCCCCC 62a_100011215417_100000210757 [1,0,0,0,0,0|2,0,1]=4 1557 B11R0.3 C#CCCNCCCCCCC 2230a_100000229938_100000688953 [1,0,0,0,0,0|2,0,1]=4 1558 B11R0.3 C#CCCNCCCCCCC 34a_100000755551_100000210614 [1,0,0,0,0,0|2,0,1]=4 1559 B11R0.3 C#CCCOCCCCCCC 34a_100000210272_100000688953 [1,0,0,0,0,0|2,0,1]=4 1560 B11R0.3 C#CCCOCCCCCCC 34a_100011215631_100000210614 [1,0,0,0,0,0|2,0,1]=4 1561 B11R0.3 C#CCCOCCCCCCC 7a_100000210272_100000688953 [1,0,0,0,0,0|2,0,1]=4 1562 B11R0.3 C#CCCSCCCCCC=O 62a_100000139337_100000688953 [1,0,0,0,0,0|1,0,2]=4 1563 B11R0.3 C#CCCSCCCCCC=O 62a_100000688953_100000139337 [1,0,0,0,0,0|1,0,2]=4 1564 B11R0.3 C#CCCSCCCCCCC 62a_100000210614_100000688953 [1,0,0,0,0,0|2,0,1]=4 1565 B11R0.3 C#CCCSCCCCCCC 62a_100000688953_100000210316 [1,0,0,0,0,0|2,0,1]=4 1566 B11R0.3 C#CCNCCCCCCCC 2230a_100000229939_100000038162 [1,0,0,0,0,0|2,0,1]=4 1567 B11R0.3 C#CCNCCCCCCCC 34a_100000212058_100000210759 [1,0,0,0,0,0|2,0,1]=4 1568 B11R0.3 C#CCNCCCCCCCC 34a_100000229939_100000184674 [1,0,0,0,0,0|2,0,1]=4 1569 B11R0.3 C#CCOCCCCCCCC 34a_100000210232_100000184674 [1,0,0,0,0,0|2,0,1]=4 1570 B11R0.3 C#CCOCCCCCCCC 34a_100000210247_100000210759 [1,0,0,0,0,0|2,0,1]=4 1571 B11R0.3 C#CCOCCCCCCCC 7a_100000210232_100000038162 [1,0,0,0,0,0|2,0,1]=4 1572 B11R0.3 C#CCSCCCCCCCC 62a_100000038162_100000210317 [1,0,0,0,0,0|2,0,1]=4 1573 B11R0.3 C/C=C/CCOCCCCCC 34a_100016278192_100000210314 [1,0,0,0,0,0|2,0,1]=4 1574 B11R0.3 C/C=C/COCCCCCCC 34a_100000210272_100102629194 [1,0,0,0,0,0|2,0,1]=4 1575 B11R0.3 C/C=C/COCCCCCCC 34a_100016270725_100000210614 [1,0,0,0,0,0|2,0,1]=4 1576 B11R0.3 C/C=C/COCCCCCCC 7a_100000210272_100102629194 [1,0,0,0,0,0|2,0,1]=4 1577 B11R0.3 C/C=C/CSCCCCCC=O 62a_100000139337_100102629194 [1,0,0,0,0,0|1,0,2]=4 1578 B11R0.3 C/C=C/CSCCCCCC=O 62a_100102629194_100000139337 [1,0,0,0,0,0|1,0,2]=4 1579 B11R0.3 C/C=C/CSCCCCCCC 62a_100000210614_100102629194 [1,0,0,0,0,0|2,0,1]=4 1580 B11R0.3 C/C=C/CSCCCCCCC 62a_100102629194_100000210316 [1,0,0,0,0,0|2,0,1]=4 1581 B11R0.3 C=CCCCCCCCCNC 2230a_106832991635_100011933949 [1,0,0,0,0,0|2,0,0]=3 1582 B11R0.3 C=CCCCCCCCCNC 34a_100102657272_100011933949 [1,0,0,0,0,0|2,0,0]=3 1583 B11R0.3 C=CCCCCCCCCNC 7a_106832991635_100011933949 [1,0,0,0,0,0|2,0,0]=3 1584 B11R0.3 C=CCCCCCCCCOC 34a_100011215194_200000210301 [1,0,0,0,0,0|2,0,0]=3 1585 B11R0.3 C=CCCCCCCCCOC 34a_100138415774_100011933949 [1,0,0,0,0,0|2,0,0]=3 1586 B11R0.3 C=CCCCCCCCCOC 7a_100011215194_200000210301 [1,0,0,0,0,0|2,0,0]=3 1587 B11R0.3 C=CCCCCCCCCO[13CH3] 34a_100011215194_200025704644 [1,0,0,0,0,0|2,0,0]=3 1588 B11R0.3 C=CCCCCCCCCO[13CH3] 7a_100011215194_200025704644 [1,0,0,0,0,0|2,0,0]=3 1589 B11R0.3 C=CCCCCCCCCSC 62a_100011933949_200000210301 [1,0,0,0,0,0|2,0,0]=3 1590 B11R0.3 C=CCCCCCCCCSC 62a_200000210301_100011933949 [1,0,0,0,0,0|2,0,0]=3 1591 B11R0.3 C=CCCCCCCCCS[13CH3] 62a_100011933949_200025704644 [1,0,0,0,0,0|2,0,0]=3 1592 B11R0.3 C=CCCCCCCCCS[13CH3] 62a_200025704644_100011933949 [1,0,0,0,0,0|2,0,0]=3 1593 B11R0.3 C=CCCCCCCCNCC 2230a_100015525214_100012355270 [1,0,0,0,0,0|2,0,0]=3 1594 B11R0.3 C=CCCCCCCCOCC 34a_100000730831_100000210202 [1,0,0,0,0,0|2,0,0]=3 1595 B11R0.3 C=CCCCCCCCOCC 34a_100121572206_100012355270 [1,0,0,0,0,0|2,0,0]=3 1596 B11R0.3 C=CCCCCCCCOCC 7a_100000730831_100000210202 [1,0,0,0,0,0|2,0,0]=3 1597 B11R0.3 C=CCCCCCCCOCF 34a_100000730831_100015361967 [1,0,0,0,0,0|3,0,0]=4 1598 B11R0.3 C=CCCCCCCCOCF 7a_100000730831_100015361967 [1,0,0,0,0,0|3,0,0]=4 1599 B11R0.3 C=CCCCCCCCSCC 62a_100000210202_100012355270 [1,0,0,0,0,0|2,0,0]=3 1600 B11R0.3 C=CCCCCCCCSCC 62a_100012355270_100000210202 [1,0,0,0,0,0|2,0,0]=3 1601 B11R0.3 C=CCCCCCCCSCF 62a_100012355270_100015361967 [1,0,0,0,0,0|3,0,0]=4 1602 B11R0.3 C=CCCCCCCCSCF 62a_100015361967_100012355270 [1,0,0,0,0,0|3,0,0]=4 1603 B11R0.3 C=CCCCCCCNCCF 34a_100000724931_100011215473 [1,0,0,0,0,0|3,0,0]=4 1604 B11R0.3 C=CCCCCCCNCCO 2230a_100016997473_100011215473 [1,0,0,0,0,0|3,0,0]=4 1605 B11R0.3 C=CCCCCCCNCCO 34a_100016990907_100011215473 [1,0,0,0,0,0|3,0,0]=4 1606 B11R0.3 C=CCCCCCCOCC=O 34a_200011216477_200009817547 [1,0,0,0,0,0|1,0,2]=4 1607 B11R0.3 C=CCCCCCCOCC=O 7a_200011216477_200015260668 [1,0,0,0,0,0|1,0,2]=4 1608 B11R0.3 C=CCCCCCCOCCBr 34a_100000211926_100011215473 [1,0,0,0,0,0|3,0,0]=4 1609 B11R0.3 C=CCCCCCCOCCC 34a_100000210258_100011215473 [1,0,0,0,0,0|2,0,0]=3 1610 B11R0.3 C=CCCCCCCOCCC 34a_200011216477_100000210303 [1,0,0,0,0,0|2,0,0]=3 1611 B11R0.3 C=CCCCCCCOCCC 7a_200011216477_100000210303 [1,0,0,0,0,0|2,0,0]=3 1612 B11R0.3 C=CCCCCCCOCCF 34a_200011216477_100011217306 [1,0,0,0,0,0|3,0,0]=4 1613 B11R0.3 C=CCCCCCCOCCF 7a_200011216477_100011217306 [1,0,0,0,0,0|3,0,0]=4 1614 B11R0.3 C=CCCCCCCOCCN 34a_100000210304_100011215473 [1,0,0,0,0,0|3,0,0]=4 1615 B11R0.3 C=CCCCCCCOCCO 34a_200011216477_100000211926 [1,0,0,0,0,0|3,0,0]=4 1616 B11R0.3 C=CCCCCCCOCCO 7a_200011216477_100000211926 [1,0,0,0,0,0|3,0,0]=4 1617 B11R0.3 C=CCCCCCCOCSC 34a_200011216477_100011218213 [1,0,0,0,0,0|3,0,0]=4 1618 B11R0.3 C=CCCCCCCSCC=O 62a_100011215473_200015260668 [1,0,0,0,0,0|1,0,2]=4 1619 B11R0.3 C=CCCCCCCSCC=O 62a_200015260668_100011215473 [1,0,0,0,0,0|1,0,2]=4 1620 B11R0.3 C=CCCCCCCSCCC 62a_100000210303_100011215473 [1,0,0,0,0,0|2,0,0]=3 1621 B11R0.3 C=CCCCCCCSCCC 62a_100011215473_100000210303 [1,0,0,0,0,0|2,0,0]=3 1622 B11R0.3 C=CCCCCCCSCCF 62a_100011215473_100011217306 [1,0,0,0,0,0|3,0,0]=4 1623 B11R0.3 C=CCCCCCCSCCF 62a_100011217306_100011215473 [1,0,0,0,0,0|3,0,0]=4 1624 B11R0.3 C=CCCCCCCSCCO 62a_100000211926_100011215473 [1,0,0,0,0,0|3,0,0]=4 1625 B11R0.3 C=CCCCCCCSCCO 62a_100011215473_100000211926 [1,0,0,0,0,0|3,0,0]=4 1626 B11R0.3 C=CCCCCCCSCOC 62a_100000766300_100011215473 [1,0,0,0,0,0|3,0,0]=4 1627 B11R0.3 C=CCCCCCCSCOC 62a_100011215473_100000766300 [1,0,0,0,0,0|3,0,0]=4 1628 B11R0.3 C=CCCCCCCSCSC 62a_100011215473_100011218213 [1,0,0,0,0,0|3,0,0]=4 1629 B11R0.3 C=CCCCCCCSCSC 62a_100011218213_100011215473 [1,0,0,0,0,0|3,0,0]=4 1630 B11R0.3 C=CCCCCCNCCCC 2230a_100000102301_100000700193 [1,0,0,0,0,0|2,0,0]=3 1631 B11R0.3 C=CCCCCCNCCCC 7a_106832991798_100000700193 [1,0,0,0,0,0|2,0,0]=3 1632 B11R0.3 C=CCCCCCNCCCF 2230a_100015189416_100000700193 [1,0,0,0,0,0|3,0,0]=4 1633 B11R0.3 C=CCCCCCNCCCF 34a_100015189416_100000700193 [1,0,0,0,0,0|3,0,0]=4 1634 B11R0.3 C=CCCCCCNCCOC 2230a_100000209980_100000700193 [1,0,0,0,0,0|3,0,0]=4 1635 B11R0.3 C=CCCCCCNCCSC 2230a_100020590264_100000700193 [1,0,0,0,0,0|3,0,0]=4 1636 B11R0.3 C=CCCCCCOCCCBr 34a_100011217188_100000700193 [1,0,0,0,0,0|3,0,0]=4 1637 B11R0.3 C=CCCCCCOCCCC 34a_100000210227_100000700193 [1,0,0,0,0,0|2,0,0]=3 1638 B11R0.3 C=CCCCCCOCCCC 34a_100011216702_100000210210 [1,0,0,0,0,0|2,0,0]=3 1639 B11R0.3 C=CCCCCCOCCCC 7a_100000210227_100000700193 [1,0,0,0,0,0|2,0,0]=3 1640 B11R0.3 C=CCCCCCOCCCC 7a_100011216702_100000210211 [1,0,0,0,0,0|2,0,0]=3 1641 B11R0.3 C=CCCCCCOCCCCl 34a_100000230001_100000700193 [1,0,0,0,0,0|3,0,0]=4 1642 B11R0.3 C=CCCCCCOCCCF 34a_100000759539_100000700193 [1,0,0,0,0,0|3,0,0]=4 1643 B11R0.3 C=CCCCCCOCCCF 34a_100011216702_100011934791 [1,0,0,0,0,0|3,0,0]=4 1644 B11R0.3 C=CCCCCCOCCCF 7a_100011216702_100011934791 [1,0,0,0,0,0|3,0,0]=4 1645 B11R0.3 C=CCCCCCOCCCN 34a_100000182051_100000700193 [1,0,0,0,0,0|3,0,0]=4 1646 B11R0.3 C=CCCCCCOCCCO 34a_100011216702_100000230001 [1,0,0,0,0,0|3,0,0]=4 1647 B11R0.3 C=CCCCCCOCCCO 7a_100011216702_100011215043 [1,0,0,0,0,0|3,0,0]=4 1648 B11R0.3 C=CCCCCCOCCOC 34a_100000210237_100000700193 [1,0,0,0,0,0|3,0,0]=4 1649 B11R0.3 C=CCCCCCOCCOC 34a_100011216702_100011201679 [1,0,0,0,0,0|3,0,0]=4 1650 B11R0.3 C=CCCCCCOCCOC 7a_100011216702_100000233755 [1,0,0,0,0,0|3,0,0]=4 1651 B11R0.3 C=CCCCCCOCCSC 34a_100000230434_100000700193 [1,0,0,0,0,0|3,0,0]=4 1652 B11R0.3 C=CCCCCCOCCSC 34a_100011216702_100000212216 [1,0,0,0,0,0|3,0,0]=4 1653 B11R0.3 C=CCCCCCOCCSC 7a_100000230434_100000700193 [1,0,0,0,0,0|3,0,0]=4 1654 B11R0.3 C=CCCCCCOCCSC 7a_100011216702_100000212216 [1,0,0,0,0,0|3,0,0]=4 1655 B11R0.3 C=CCCCCCSCCCC 62a_100000210211_100000700193 [1,0,0,0,0,0|2,0,0]=3 1656 B11R0.3 C=CCCCCCSCCCC 62a_100000700193_100000210210 [1,0,0,0,0,0|2,0,0]=3 1657 B11R0.3 C=CCCCCCSCCCF 62a_100000700193_100011934791 [1,0,0,0,0,0|3,0,0]=4 1658 B11R0.3 C=CCCCCCSCCCF 62a_100011934791_100000700193 [1,0,0,0,0,0|3,0,0]=4 1659 B11R0.3 C=CCCCCCSCCCO 62a_100000700193_100011215043 [1,0,0,0,0,0|3,0,0]=4 1660 B11R0.3 C=CCCCCCSCCCO 62a_100011215043_100000700193 [1,0,0,0,0,0|3,0,0]=4 1661 B11R0.3 C=CCCCCCSCCOC 62a_100000233755_100000700193 [1,0,0,0,0,0|3,0,0]=4 1662 B11R0.3 C=CCCCCCSCCOC 62a_100000700193_100000233755 [1,0,0,0,0,0|3,0,0]=4 1663 B11R0.3 C=CCCCCCSCCSC 62a_100000212216_100000700193 [1,0,0,0,0,0|3,0,0]=4 1664 B11R0.3 C=CCCCCCSCCSC 62a_100000700193_100000751147 [1,0,0,0,0,0|3,0,0]=4 1665 B11R0.3 C=CCCCCCSCOCC 62a_100000700193_100000739092 [1,0,0,0,0,0|3,0,0]=4 1666 B11R0.3 C=CCCCCCSCOCC 62a_100000739092_100000700193 [1,0,0,0,0,0|3,0,0]=4 1667 B11R0.3 C=CCCCCNCCCC=O 2230a_100000703577_200011292268 [1,0,0,0,0,0|1,0,2]=4 1668 B11R0.3 C=CCCCCNCCCCC 2230a_100000209983_100011215482 [1,0,0,0,0,0|2,0,0]=3 1669 B11R0.3 C=CCCCCNCCCCC 2230a_100000703577_100000210326 [1,0,0,0,0,0|2,0,0]=3 1670 B11R0.3 C=CCCCCNCCCCC 34a_100000703577_100000718602 [1,0,0,0,0,0|2,0,0]=3 1671 B11R0.3 C=CCCCCNCCCCF 2230a_100000703577_100000729493 [1,0,0,0,0,0|3,0,0]=4 1672 B11R0.3 C=CCCCCNCCCCF 34a_100000703577_100000729493 [1,0,0,0,0,0|3,0,0]=4 1673 B11R0.3 C=CCCCCNCCCCO 2230a_100000703577_100000210776 [1,0,0,0,0,0|3,0,0]=4 1674 B11R0.3 C=CCCCCNCCCCO 2230a_100000750430_100011215482 [1,0,0,0,0,0|3,0,0]=4 1675 B11R0.3 C=CCCCCNCCCCO 34a_100000703577_100011216708 [1,0,0,0,0,0|3,0,0]=4 1676 B11R0.3 C=CCCCCNCCCCO 34a_100000750430_100011215482 [1,0,0,0,0,0|3,0,0]=4 1677 B11R0.3 C=CCCCCNCCCOC 2230a_100000703577_100000740836 [1,0,0,0,0,0|3,0,0]=4 1678 B11R0.3 C=CCCCCNCCCOC 34a_100000703577_100000740836 [1,0,0,0,0,0|3,0,0]=4 1679 B11R0.3 C=CCCCCNCCCOC 34a_100150723488_100011215482 [1,0,0,0,0,0|3,0,0]=4 1680 B11R0.3 C=CCCCCNCCCSC 2230a_100000749238_100011215482 [1,0,0,0,0,0|3,0,0]=4 1681 B11R0.3 C=CCCCCNCCOCC 2230a_100000703577_100011215890 [1,0,0,0,0,0|3,0,0]=4 1682 B11R0.3 C=CCCCCNCCOCC 2230a_102516460346_100011215482 [1,0,0,0,0,0|3,0,0]=4 1683 B11R0.3 C=CCCCCNCCOCC 34a_100000703577_100000210147 [1,0,0,0,0,0|3,0,0]=4 1684 B11R0.3 C=CCCCCNCCOCC 34a_102516460346_100011215482 [1,0,0,0,0,0|3,0,0]=4 1685 B11R0.3 C=CCCCCNCCSCC 2230a_100000106463_100011215482 [1,0,0,0,0,0|3,0,0]=4 1686 B11R0.3 C=CCCCCNCCSCC 2230a_100000703577_100000757381 [1,0,0,0,0,0|3,0,0]=4 1687 B11R0.3 C=CCCCCNCCSCC 34a_100000703577_100000757381 [1,0,0,0,0,0|3,0,0]=4 1688 B11R0.3 C=CCCCCOCCCC=O 7a_100000766645_200011292268 [1,0,0,0,0,0|1,0,2]=4 1689 B11R0.3 C=CCCCCOCCCCBr 34a_100011216708_100011215482 [1,0,0,0,0,0|3,0,0]=4 1690 B11R0.3 C=CCCCCOCCCCC 34a_100000210253_100011215482 [1,0,0,0,0,0|2,0,0]=3 1691 B11R0.3 C=CCCCCOCCCCC 34a_100000766645_100000718602 [1,0,0,0,0,0|2,0,0]=3 1692 B11R0.3 C=CCCCCOCCCCC 7a_100000210253_100011215482 [1,0,0,0,0,0|2,0,0]=3 1693 B11R0.3 C=CCCCCOCCCCC 7a_100000766645_100000210326 [1,0,0,0,0,0|2,0,0]=3 1694 B11R0.3 C=CCCCCOCCCCCl 34a_100000210776_100011215482 [1,0,0,0,0,0|3,0,0]=4 1695 B11R0.3 C=CCCCCOCCCCCl 7a_100000210776_100011215482 [1,0,0,0,0,0|3,0,0]=4 1696 B11R0.3 C=CCCCCOCCCCF 34a_100000766645_100000729493 [1,0,0,0,0,0|3,0,0]=4 1697 B11R0.3 C=CCCCCOCCCCF 34a_100011995726_100011215482 [1,0,0,0,0,0|3,0,0]=4 1698 B11R0.3 C=CCCCCOCCCCF 7a_100000766645_100000729493 [1,0,0,0,0,0|3,0,0]=4 1699 B11R0.3 C=CCCCCOCCCCF 7a_100011995726_100011215482 [1,0,0,0,0,0|3,0,0]=4 1700 B11R0.3 C=CCCCCOCCCCI 34a_200012148704_100011215482 [1,0,0,0,0,0|3,0,0]=4 1701 B11R0.3 C=CCCCCOCCCCN 34a_100000750430_100011215482 [1,0,0,0,0,0|3,0,0]=4 1702 B11R0.3 C=CCCCCOCCCCO 34a_100000766645_100011216708 [1,0,0,0,0,0|3,0,0]=4 1703 B11R0.3 C=CCCCCOCCCCO 7a_100000766645_100000210776 [1,0,0,0,0,0|3,0,0]=4 1704 B11R0.3 C=CCCCCOCCCNC 34a_100000213112_100011215482 [1,0,0,0,0,0|3,0,0]=4 1705 B11R0.3 C=CCCCCOCCCOC 34a_100000740835_100011215482 [1,0,0,0,0,0|3,0,0]=4 1706 B11R0.3 C=CCCCCOCCCOC 34a_100000766645_100000740836 [1,0,0,0,0,0|3,0,0]=4 1707 B11R0.3 C=CCCCCOCCCOC 7a_100000766645_100000740836 [1,0,0,0,0,0|3,0,0]=4 1708 B11R0.3 C=CCCCCOCCCSC 34a_100000690336_100011215482 [1,0,0,0,0,0|3,0,0]=4 1709 B11R0.3 C=CCCCCOCCCSC 7a_100000690336_100011215482 [1,0,0,0,0,0|3,0,0]=4 1710 B11R0.3 C=CCCCCOCCOCC 34a_100000210136_100011215482 [1,0,0,0,0,0|3,0,0]=4 1711 B11R0.3 C=CCCCCOCCOCC 34a_100000766645_100000210147 [1,0,0,0,0,0|3,0,0]=4 1712 B11R0.3 C=CCCCCOCCOCC 7a_100000210136_100011215482 [1,0,0,0,0,0|3,0,0]=4 1713 B11R0.3 C=CCCCCOCCOCC 7a_100000766645_100011215890 [1,0,0,0,0,0|3,0,0]=4 1714 B11R0.3 C=CCCCCOCCSCC 34a_100000212035_100011215482 [1,0,0,0,0,0|3,0,0]=4 1715 B11R0.3 C=CCCCCOCCSCC 34a_100000766645_100000757381 [1,0,0,0,0,0|3,0,0]=4 1716 B11R0.3 C=CCCCCOCCSCC 7a_100000212035_100011215482 [1,0,0,0,0,0|3,0,0]=4 1717 B11R0.3 C=CCCCCOCCSCC 7a_100000766645_100000757381 [1,0,0,0,0,0|3,0,0]=4 1718 B11R0.3 C=CCCCCSCCCC=O 62a_100011215482_200011292268 [1,0,0,0,0,0|1,0,2]=4 1719 B11R0.3 C=CCCCCSCCCC=O 62a_200011292268_100011215482 [1,0,0,0,0,0|1,0,2]=4 1720 B11R0.3 C=CCCCCSCCCCC 62a_100000210326_100011215482 [1,0,0,0,0,0|2,0,0]=3 1721 B11R0.3 C=CCCCCSCCCCC 62a_100011215482_100000210326 [1,0,0,0,0,0|2,0,0]=3 1722 B11R0.3 C=CCCCCSCCCCF 62a_100000729493_100011215482 [1,0,0,0,0,0|3,0,0]=4 1723 B11R0.3 C=CCCCCSCCCCF 62a_100011215482_100000729493 [1,0,0,0,0,0|3,0,0]=4 1724 B11R0.3 C=CCCCCSCCCCO 62a_100000210776_100011215482 [1,0,0,0,0,0|3,0,0]=4 1725 B11R0.3 C=CCCCCSCCCCO 62a_100011215482_100000210776 [1,0,0,0,0,0|3,0,0]=4 1726 B11R0.3 C=CCCCCSCCCOC 62a_100000709357_100011215482 [1,0,0,0,0,0|3,0,0]=4 1727 B11R0.3 C=CCCCCSCCCOC 62a_100011215482_100000709357 [1,0,0,0,0,0|3,0,0]=4 1728 B11R0.3 C=CCCCCSCCOCC 62a_100000210147_100011215482 [1,0,0,0,0,0|3,0,0]=4 1729 B11R0.3 C=CCCCCSCCOCC 62a_100011215482_100011215890 [1,0,0,0,0,0|3,0,0]=4 1730 B11R0.3 C=CCCCCSCCSCC 62a_100000757381_100011215482 [1,0,0,0,0,0|3,0,0]=4 1731 B11R0.3 C=CCCCCSCCSCC 62a_100011215482_100000757381 [1,0,0,0,0,0|3,0,0]=4 1732 B11R0.3 C=CCCCNCCCCC=O 2230a_100000700776_100000139335 [1,0,0,0,0,0|1,0,2]=4 1733 B11R0.3 C=CCCCNCCCCCC 2230a_100000210581_100011713584 [1,0,0,0,0,0|2,0,0]=3 1734 B11R0.3 C=CCCCNCCCCCC 2230a_100000700776_100000210314 [1,0,0,0,0,0|2,0,0]=3 1735 B11R0.3 C=CCCCNCCCCCC 34a_100000700776_100000210314 [1,0,0,0,0,0|2,0,0]=3 1736 B11R0.3 C=CCCCNCCCCCF 2230a_100000700776_100000729378 [1,0,0,0,0,0|3,0,0]=4 1737 B11R0.3 C=CCCCNCCCCCF 34a_100000700776_100000729378 [1,0,0,0,0,0|3,0,0]=4 1738 B11R0.3 C=CCCCNCCCCCO 2230a_100000700776_100000746330 [1,0,0,0,0,0|3,0,0]=4 1739 B11R0.3 C=CCCCNCCCCCO 2230a_100000762737_100011713584 [1,0,0,0,0,0|3,0,0]=4 1740 B11R0.3 C=CCCCNCCCCCO 34a_100000700776_100000746330 [1,0,0,0,0,0|3,0,0]=4 1741 B11R0.3 C=CCCCNCCCCCO 34a_100000762737_100000757094 [1,0,0,0,0,0|3,0,0]=4 1742 B11R0.3 C=CCCCNCCCCOC 2230a_100000700776_100000730899 [1,0,0,0,0,0|3,0,0]=4 1743 B11R0.3 C=CCCCNCCCCOC 34a_100000700776_100000755781 [1,0,0,0,0,0|3,0,0]=4 1744 B11R0.3 C=CCCCNCCCOCC 2230a_100000210961_100011713584 [1,0,0,0,0,0|3,0,0]=4 1745 B11R0.3 C=CCCCNCCCOCC 2230a_100000700776_100012232248 [1,0,0,0,0,0|3,0,0]=4 1746 B11R0.3 C=CCCCNCCCOCC 34a_100000210961_100000757094 [1,0,0,0,0,0|3,0,0]=4 1747 B11R0.3 C=CCCCNCCCOCC 34a_100000700776_100012232248 [1,0,0,0,0,0|3,0,0]=4 1748 B11R0.3 C=CCCCNCCOCCC 2230a_100000700776_100011215938 [1,0,0,0,0,0|3,0,0]=4 1749 B11R0.3 C=CCCCNCCOCCC 2230a_100161115042_100011713584 [1,0,0,0,0,0|3,0,0]=4 1750 B11R0.3 C=CCCCNCCOCCC 34a_100000700776_100011215938 [1,0,0,0,0,0|3,0,0]=4 1751 B11R0.3 C=CCCCNCCOCCC 34a_100161115042_100000757094 [1,0,0,0,0,0|3,0,0]=4 1752 B11R0.3 C=CCCCNCCSCCC 2230a_100020603323_100011713584 [1,0,0,0,0,0|3,0,0]=4 1753 B11R0.3 C=CCCCNCOCCCC 2230a_100000700776_100011995733 [1,0,0,0,0,0|3,0,0]=4 1754 B11R0.3 C=CCCCNCOCCCC 34a_100000700776_100011995733 [1,0,0,0,0,0|3,0,0]=4 1755 B11R0.3 C=CCCCOCCCCC=O 7a_100000758997_100000139335 [1,0,0,0,0,0|1,0,2]=4 1756 B11R0.3 C=CCCCOCCCCCBr 34a_100000746331_100000757094 [1,0,0,0,0,0|3,0,0]=4 1757 B11R0.3 C=CCCCOCCCCCBr 7a_100000746331_100000757094 [1,0,0,0,0,0|3,0,0]=4 1758 B11R0.3 C=CCCCOCCCCCC 34a_100000210259_100000757094 [1,0,0,0,0,0|2,0,0]=3 1759 B11R0.3 C=CCCCOCCCCCC 34a_100000758997_100000210314 [1,0,0,0,0,0|2,0,0]=3 1760 B11R0.3 C=CCCCOCCCCCC 7a_100000210259_100000757094 [1,0,0,0,0,0|2,0,0]=3 1761 B11R0.3 C=CCCCOCCCCCC 7a_100000758997_100000210314 [1,0,0,0,0,0|2,0,0]=3 1762 B11R0.3 C=CCCCOCCCCCCl 34a_100000746330_100000757094 [1,0,0,0,0,0|3,0,0]=4 1763 B11R0.3 C=CCCCOCCCCCCl 7a_100000746330_100000757094 [1,0,0,0,0,0|3,0,0]=4 1764 B11R0.3 C=CCCCOCCCCCF 34a_100000758997_100000729378 [1,0,0,0,0,0|3,0,0]=4 1765 B11R0.3 C=CCCCOCCCCCF 7a_100000758997_100000729378 [1,0,0,0,0,0|3,0,0]=4 1766 B11R0.3 C=CCCCOCCCCCI 34a_200012148887_100000757094 [1,0,0,0,0,0|3,0,0]=4 1767 B11R0.3 C=CCCCOCCCCCI 7a_200012148887_100000757094 [1,0,0,0,0,0|3,0,0]=4 1768 B11R0.3 C=CCCCOCCCCCN 34a_100000762737_100000757094 [1,0,0,0,0,0|3,0,0]=4 1769 B11R0.3 C=CCCCOCCCCCO 34a_100000758997_100000746330 [1,0,0,0,0,0|3,0,0]=4 1770 B11R0.3 C=CCCCOCCCCCO 7a_100000758997_100000746330 [1,0,0,0,0,0|3,0,0]=4 1771 B11R0.3 C=CCCCOCCCCOC 34a_100000740925_100000757094 [1,0,0,0,0,0|3,0,0]=4 1772 B11R0.3 C=CCCCOCCCCOC 34a_100000758997_100000755781 [1,0,0,0,0,0|3,0,0]=4 1773 B11R0.3 C=CCCCOCCCCOC 7a_100000758997_100000730899 [1,0,0,0,0,0|3,0,0]=4 1774 B11R0.3 C=CCCCOCCCCSC 34a_100011217163_100000757094 [1,0,0,0,0,0|3,0,0]=4 1775 B11R0.3 C=CCCCOCCCCSC 7a_100011217163_100000757094 [1,0,0,0,0,0|3,0,0]=4 1776 B11R0.3 C=CCCCOCCCOCC 34a_100000757476_100000757094 [1,0,0,0,0,0|3,0,0]=4 1777 B11R0.3 C=CCCCOCCCOCC 34a_100000758997_100012232248 [1,0,0,0,0,0|3,0,0]=4 1778 B11R0.3 C=CCCCOCCCOCC 7a_100000757476_100000757094 [1,0,0,0,0,0|3,0,0]=4 1779 B11R0.3 C=CCCCOCCCOCC 7a_100000758997_100012232248 [1,0,0,0,0,0|3,0,0]=4 1780 B11R0.3 C=CCCCOCCCSCC 34a_100011216438_100000757094 [1,0,0,0,0,0|3,0,0]=4 1781 B11R0.3 C=CCCCOCCCSCC 7a_100011216438_100000757094 [1,0,0,0,0,0|3,0,0]=4 1782 B11R0.3 C=CCCCOCCOCCC 34a_100000752267_100000757094 [1,0,0,0,0,0|3,0,0]=4 1783 B11R0.3 C=CCCCOCCOCCC 34a_100000758997_100011215938 [1,0,0,0,0,0|3,0,0]=4 1784 B11R0.3 C=CCCCOCCOCCC 7a_100000752267_100000757094 [1,0,0,0,0,0|3,0,0]=4 1785 B11R0.3 C=CCCCOCCOCCC 7a_100000758997_100011215938 [1,0,0,0,0,0|3,0,0]=4 1786 B11R0.3 C=CCCCOCCSCCC 34a_200000230433_100000757094 [1,0,0,0,0,0|3,0,0]=4 1787 B11R0.3 C=CCCCOCCSCCC 7a_200000230433_100000757094 [1,0,0,0,0,0|3,0,0]=4 1788 B11R0.3 C=CCCCOCOCCCC 34a_100000758997_100011995733 [1,0,0,0,0,0|3,0,0]=4 1789 B11R0.3 C=CCCCSCCCCC=O 62a_100000139335_100000757094 [1,0,0,0,0,0|1,0,2]=4 1790 B11R0.3 C=CCCCSCCCCC=O 62a_100011713584_100000139335 [1,0,0,0,0,0|1,0,2]=4 1791 B11R0.3 C=CCCCSCCCCCC 62a_100000210314_100000757094 [1,0,0,0,0,0|2,0,0]=3 1792 B11R0.3 C=CCCCSCCCCCC 62a_100011713584_100000210757 [1,0,0,0,0,0|2,0,0]=3 1793 B11R0.3 C=CCCCSCCCCCF 62a_100000729378_100000757094 [1,0,0,0,0,0|3,0,0]=4 1794 B11R0.3 C=CCCCSCCCCCF 62a_100011713584_100000729378 [1,0,0,0,0,0|3,0,0]=4 1795 B11R0.3 C=CCCCSCCCCCO 62a_100000746330_100000757094 [1,0,0,0,0,0|3,0,0]=4 1796 B11R0.3 C=CCCCSCCCCCO 62a_100011713584_100000746330 [1,0,0,0,0,0|3,0,0]=4 1797 B11R0.3 C=CCCCSCCCCOC 62a_100000730899_100000757094 [1,0,0,0,0,0|3,0,0]=4 1798 B11R0.3 C=CCCCSCCCCOC 62a_100011713584_100000730899 [1,0,0,0,0,0|3,0,0]=4 1799 B11R0.3 C=CCCCSCCCOCC 62a_100011713584_100012232248 [1,0,0,0,0,0|3,0,0]=4 1800 B11R0.3 C=CCCCSCCCOCC 62a_100012232248_100000757094 [1,0,0,0,0,0|3,0,0]=4 1801 B11R0.3 C=CCCCSCCOCCC 62a_100011215938_100000757094 [1,0,0,0,0,0|3,0,0]=4 1802 B11R0.3 C=CCCCSCCOCCC 62a_100011713584_100011215938 [1,0,0,0,0,0|3,0,0]=4 1803 B11R0.3 C=CCCCSCOCCCC 62a_100011713584_100011995733 [1,0,0,0,0,0|3,0,0]=4 1804 B11R0.3 C=CCCCSCOCCCC 62a_100011995733_100000757094 [1,0,0,0,0,0|3,0,0]=4 1805 B11R0.3 C=CCCNCCCCCC=O 2230a_100015191253_100000139337 [1,0,0,0,0,0|1,0,2]=4 1806 B11R0.3 C=CCCNCCCCCCC 2230a_100000229938_100000754431 [1,0,0,0,0,0|2,0,0]=3 1807 B11R0.3 C=CCCNCCCCCCC 2230a_100015191253_100000210681 [1,0,0,0,0,0|2,0,0]=3 1808 B11R0.3 C=CCCNCCCCCCF 2230a_100015191253_100015922095 [1,0,0,0,0,0|3,0,0]=4 1809 B11R0.3 C=CCCNCCCCCCO 2230a_100000686447_100000754431 [1,0,0,0,0,0|3,0,0]=4 1810 B11R0.3 C=CCCNCCCCCCO 2230a_100015191253_100000766143 [1,0,0,0,0,0|3,0,0]=4 1811 B11R0.3 C=CCCNCCCCCCO 34a_100000686447_100000754431 [1,0,0,0,0,0|3,0,0]=4 1812 B11R0.3 C=CCCNCCCCCOC 2230a_100000747528_100000754431 [1,0,0,0,0,0|3,0,0]=4 1813 B11R0.3 C=CCCNCCCCCOC 34a_100000747528_100000754431 [1,0,0,0,0,0|3,0,0]=4 1814 B11R0.3 C=CCCNCCCOCCC 2230a_100011217757_100000754431 [1,0,0,0,0,0|3,0,0]=4 1815 B11R0.3 C=CCCNCCCOCCC 34a_100011217757_100000754431 [1,0,0,0,0,0|3,0,0]=4 1816 B11R0.3 C=CCCNCCOCCCC 2230a_100015191253_100000743108 [1,0,0,0,0,0|3,0,0]=4 1817 B11R0.3 C=CCCNCCSCCCC 2230a_100025743550_100000754431 [1,0,0,0,0,0|3,0,0]=4 1818 B11R0.3 C=CCCOCCCCCCBr 34a_100011215345_100000754431 [1,0,0,0,0,0|3,0,0]=4 1819 B11R0.3 C=CCCOCCCCCCBr 7a_100011215345_100000754431 [1,0,0,0,0,0|3,0,0]=4 1820 B11R0.3 C=CCCOCCCCCCC 34a_100000210272_100000754431 [1,0,0,0,0,0|2,0,0]=3 1821 B11R0.3 C=CCCOCCCCCCC 34a_100011205117_100000210614 [1,0,0,0,0,0|2,0,0]=3 1822 B11R0.3 C=CCCOCCCCCCC 7a_100000210272_100000754431 [1,0,0,0,0,0|2,0,0]=3 1823 B11R0.3 C=CCCOCCCCCCCl 34a_100000766143_100000754431 [1,0,0,0,0,0|3,0,0]=4 1824 B11R0.3 C=CCCOCCCCCCCl 7a_100000766143_100000754431 [1,0,0,0,0,0|3,0,0]=4 1825 B11R0.3 C=CCCOCCCCCCF 34a_100000732779_100000754431 [1,0,0,0,0,0|3,0,0]=4 1826 B11R0.3 C=CCCOCCCCCCF 34a_100011205117_100015922095 [1,0,0,0,0,0|3,0,0]=4 1827 B11R0.3 C=CCCOCCCCCCF 7a_100000732779_100000754431 [1,0,0,0,0,0|3,0,0]=4 1828 B11R0.3 C=CCCOCCCCCCN 34a_100000686447_100000754431 [1,0,0,0,0,0|3,0,0]=4 1829 B11R0.3 C=CCCOCCCCCCO 34a_100011205117_100000766143 [1,0,0,0,0,0|3,0,0]=4 1830 B11R0.3 C=CCCOCCCCCNC 34a_100000722520_100000754431 [1,0,0,0,0,0|3,0,0]=4 1831 B11R0.3 C=CCCOCCOCCCC 34a_100000210238_100000754431 [1,0,0,0,0,0|3,0,0]=4 1832 B11R0.3 C=CCCOCCOCCCC 34a_100011205117_100000743108 [1,0,0,0,0,0|3,0,0]=4 1833 B11R0.3 C=CCCOCCOCCCC 7a_100000210238_100000754431 [1,0,0,0,0,0|3,0,0]=4 1834 B11R0.3 C=CCCOCCSCCCC 34a_200000230436_100000754431 [1,0,0,0,0,0|3,0,0]=4 1835 B11R0.3 C=CCCOCCSCCCC 7a_200000230436_100000754431 [1,0,0,0,0,0|3,0,0]=4 1836 B11R0.3 C=CCCSCCCCCC=O 62a_100000139337_100000754431 [1,0,0,0,0,0|1,0,2]=4 1837 B11R0.3 C=CCCSCCCCCC=O 62a_100000754431_100000139337 [1,0,0,0,0,0|1,0,2]=4 1838 B11R0.3 C=CCCSCCCCCCC 62a_100000210614_100000754431 [1,0,0,0,0,0|2,0,0]=3 1839 B11R0.3 C=CCCSCCCCCCC 62a_100000754431_100000210316 [1,0,0,0,0,0|2,0,0]=3 1840 B11R0.3 C=CCCSCCCCCCF 62a_100000754431_100015922095 [1,0,0,0,0,0|3,0,0]=4 1841 B11R0.3 C=CCCSCCCCCCF 62a_100015922095_100000754431 [1,0,0,0,0,0|3,0,0]=4 1842 B11R0.3 C=CCCSCCCCCCO 62a_100000754431_100000766143 [1,0,0,0,0,0|3,0,0]=4 1843 B11R0.3 C=CCCSCCCCCCO 62a_100000766143_100000754431 [1,0,0,0,0,0|3,0,0]=4 1844 B11R0.3 C=CCCSCCOCCCC 62a_100000743108_100000754431 [1,0,0,0,0,0|3,0,0]=4 1845 B11R0.3 C=CCCSCCOCCCC 62a_100000754431_100000743108 [1,0,0,0,0,0|3,0,0]=4 1846 B11R0.3 C=CCNCCCCCCCC 2230a_100000229939_100000210623 [1,0,0,0,0,0|2,0,0]=3 1847 B11R0.3 C=CCNCCCCCCCC 2230a_100020586998_100000210759 [1,0,0,0,0,0|2,0,0]=3 1848 B11R0.3 C=CCNCCCCCCCC 34a_100000229939_100015514636 [1,0,0,0,0,0|2,0,0]=3 1849 B11R0.3 C=CCNCCCCCCCO 2230a_100011996573_100000210623 [1,0,0,0,0,0|3,0,0]=4 1850 B11R0.3 C=CCNCCCCCCCO 2230a_100020586998_100000760002 [1,0,0,0,0,0|3,0,0]=4 1851 B11R0.3 C=CCNCCCCCCCO 34a_100011996573_100015514636 [1,0,0,0,0,0|3,0,0]=4 1852 B11R0.3 C=CCNCCCCCCOC 2230a_100020586998_100011998445 [1,0,0,0,0,0|3,0,0]=4 1853 B11R0.3 C=CCNCCCOCCCC 2230a_200000211371_100000210623 [1,0,0,0,0,0|3,0,0]=4 1854 B11R0.3 C=CCNCCCOCCCC 34a_200000211371_100015514636 [1,0,0,0,0,0|3,0,0]=4 1855 B11R0.3 C=CCOCCCCCCCBr 34a_100000760002_100015514636 [1,0,0,0,0,0|3,0,0]=4 1856 B11R0.3 C=CCOCCCCCCCBr 7a_100000760002_100015514636 [1,0,0,0,0,0|3,0,0]=4 1857 B11R0.3 C=CCOCCCCCCCC 34a_100000210232_100015514636 [1,0,0,0,0,0|2,0,0]=3 1858 B11R0.3 C=CCOCCCCCCCC 34a_200000210373_100000210759 [1,0,0,0,0,0|2,0,0]=3 1859 B11R0.3 C=CCOCCCCCCCC 7a_100000210232_100015514636 [1,0,0,0,0,0|2,0,0]=3 1860 B11R0.3 C=CCOCCCCCCCN 34a_100011996573_100015514636 [1,0,0,0,0,0|3,0,0]=4 1861 B11R0.3 C=CCOCCCCCCCO 34a_200000210373_100000760002 [1,0,0,0,0,0|3,0,0]=4 1862 B11R0.3 C=CCOCCCCCCOC 34a_200000210373_100011998445 [1,0,0,0,0,0|3,0,0]=4 1863 B11R0.3 C=CCOCCCCCCOC 34a_200012092642_100015514636 [1,0,0,0,0,0|3,0,0]=4 1864 B11R0.3 C=CCOCCCCCCOC 7a_200012092642_100015514636 [1,0,0,0,0,0|3,0,0]=4 1865 B11R0.3 C=CCOCCCOCCCC 34a_200011215613_100015514636 [1,0,0,0,0,0|3,0,0]=4 1866 B11R0.3 C=CCOCCCOCCCC 7a_200011215613_100015514636 [1,0,0,0,0,0|3,0,0]=4 1867 B11R0.3 C=CCOCCNCCCCC 34a_100000224656_100015514636 [1,0,0,0,0,0|3,0,0]=4 1868 B11R0.3 C=CCOCCOCCCCC 34a_100000037705_100000718602 [1,0,0,0,0,0|3,0,0]=4 1869 B11R0.3 C=CCOCCOCCCCC 34a_100011215259_100015514636 [1,0,0,0,0,0|3,0,0]=4 1870 B11R0.3 C=CCOCCOCCCCC 7a_100000037705_100000210326 [1,0,0,0,0,0|3,0,0]=4 1871 B11R0.3 C=CCOCCOCCCCC 7a_100011215259_100015514636 [1,0,0,0,0,0|3,0,0]=4 1872 B11R0.3 C=CCSCCCCCCCC 62a_100000210623_100000210317 [1,0,0,0,0,0|2,0,0]=3 1873 B11R0.3 C=CCSCCCCCCCC 62a_100000210759_100000210623 [1,0,0,0,0,0|2,0,0]=3 1874 B11R0.3 C=CCSCCCCCCCO 62a_100000210623_100000760002 [1,0,0,0,0,0|3,0,0]=4 1875 B11R0.3 C=CCSCCCCCCCO 62a_100000760002_100000210623 [1,0,0,0,0,0|3,0,0]=4 1876 B11R0.3 C=CCSCCCCCCOC 62a_100000210623_100011998445 [1,0,0,0,0,0|3,0,0]=4 1877 B11R0.3 C=CCSCCCCCCOC 62a_100011998445_100000210623 [1,0,0,0,0,0|3,0,0]=4 1878 B11R0.3 C=COCCCCOCCCC 34a_100000031558_100000210210 [1,0,0,0,0,0|3,0,0]=4 1879 B11R0.3 C=COCCCCOCCCC 7a_100000031558_100000210211 [1,0,0,0,0,0|3,0,0]=4 1880 B11R0.3 C=COCCCNCCCCC 2230a_100000210767_100000210326 [1,0,0,0,0,0|3,0,0]=4 1881 B11R0.3 C=COCCCNCCCCC 34a_100000210767_100000718602 [1,0,0,0,0,0|3,0,0]=4 1882 B11R0.3 C=COCCNCCCCCC 2230a_100000210581_100000039644 [1,0,0,0,0,0|3,0,0]=4 1883 B11R0.3 C=COCCOCCCCCC 34a_100000033082_100000210314 [1,0,0,0,0,0|3,0,0]=4 1884 B11R0.3 C=COCCOCCCCCC 34a_100000210259_100000039644 [1,0,0,0,0,0|3,0,0]=4 1885 B11R0.3 C=COCCOCCCCCC 7a_100000210259_100000039644 [1,0,0,0,0,0|3,0,0]=4 1886 B11R0.3 C=COCCSCCCCCC 62a_100000039644_100000210757 [1,0,0,0,0,0|3,0,0]=4 1887 B11R0.3 C=COCCSCCCCCC 62a_100000210314_100000039644 [1,0,0,0,0,0|3,0,0]=4 1888 B11R0.3 CC#CCNCCCCCC=O 2230a_100000685387_100000139337 [1,0,0,0,0,0|1,0,2]=4 1889 B11R0.3 CC#CCSCCCCCC=O 62a_100000139337_100000748600 [1,0,0,0,0,0|1,0,2]=4 1890 B11R0.3 CC#CCSCCCCCC=O 62a_100000748600_100000139337 [1,0,0,0,0,0|1,0,2]=4 1891 B11R0.3 CC/C=C\CCCCOCC=O 34a_100016287862_200009817547 [1,0,0,0,0,0|1,0,2]=4 1892 B11R0.3 CC/C=C\CCCCOCC=O 7a_100016287862_200015260668 [1,0,0,0,0,0|1,0,2]=4 1893 B11R0.3 CC/C=C\CCOCCCC=O 7a_100016288707_200011292268 [1,0,0,0,0,0|1,0,2]=4 1894 B11R0.3 CC/C=C\CCSCCCC=O 62a_100015370543_200011292268 [1,0,0,0,0,0|1,0,2]=4 1895 B11R0.3 CC/C=C\CCSCCCC=O 62a_200011292268_100015370543 [1,0,0,0,0,0|1,0,2]=4 1896 B11R0.3 CC/C=C\CSCCCCC=O 62a_100000139335_100103147603 [1,0,0,0,0,0|1,0,2]=4 1897 B11R0.3 CC/C=C\CSCCCCC=O 62a_100103147603_100000139335 [1,0,0,0,0,0|1,0,2]=4 1898 B11R0.3 CC=CCCCOCCCCC 34a_100020645299_100000718602 [1,0,0,0,0,0|2,0,1]=4 1899 B11R0.3 CC=CCNCCCCCCC 2230a_100000229938_100000070051 [1,0,0,0,0,0|2,0,1]=4 1900 B11R0.3 CC=CCOCCCCCCC 34a_100000210272_100000070051 [1,0,0,0,0,0|2,0,1]=4 1901 B11R0.3 CC=CCOCCCCCCC 7a_100000210272_100000070051 [1,0,0,0,0,0|2,0,1]=4 1902 B11R0.3 CC=CCSCCCCCC=O 62a_100000070051_100000139337 [1,0,0,0,0,0|1,0,2]=4 1903 B11R0.3 CC=CCSCCCCCC=O 62a_100000139337_100000070051 [1,0,0,0,0,0|1,0,2]=4 1904 B11R0.3 CC=CCSCCCCCCC 62a_100000070051_100000210316 [1,0,0,0,0,0|2,0,1]=4 1905 B11R0.3 CC=CCSCCCCCCC 62a_100000210614_100000070051 [1,0,0,0,0,0|2,0,1]=4 1906 B11R0.3 CCC#CCCOCCCC=O 7a_100000036655_200011292268 [1,0,0,0,0,0|1,0,2]=4 1907 B11R0.3 CCC#CCSCCCCC=O 62a_100000139335_100009813939 [1,0,0,0,0,0|1,0,2]=4 1908 B11R0.3 CCC#CCSCCCCC=O 62a_100009813939_100000139335 [1,0,0,0,0,0|1,0,2]=4 1909 B11R0.3 CCC/C=C/COCCCC=O 7a_100016278788_200011292268 [1,0,0,0,0,0|1,0,2]=4 1910 B11R0.3 CCCC#CCOCCCC=O 7a_100000034806_200011292268 [1,0,0,0,0,0|1,0,2]=4 1911 B11R0.3 CCCC/C=C\CCOCC=O 34a_200016286491_200009817547 [1,0,0,0,0,0|1,0,2]=4 1912 B11R0.3 CCCC/C=C\CCOCC=O 7a_200016286491_200015260668 [1,0,0,0,0,0|1,0,2]=4 1913 B11R0.3 CCCCC#CCCOCC=O 34a_100000037610_200009817547 [1,0,0,0,0,0|1,0,2]=4 1914 B11R0.3 CCCCC#CCCOCC=O 7a_100000037610_200015260668 [1,0,0,0,0,0|1,0,2]=4 1915 B11R0.3 CCCCC/C=C/COCC=O 34a_100016258190_200009817547 [1,0,0,0,0,0|1,0,2]=4 1916 B11R0.3 CCCCC/C=C/COCC=O 7a_100016258190_200015260668 [1,0,0,0,0,0|1,0,2]=4 1917 B11R0.3 CCCCCC#CCOCC=O 34a_200000033628_200009817547 [1,0,0,0,0,0|1,0,2]=4 1918 B11R0.3 CCCCCC#CCOCC=O 7a_200000033628_200015260668 [1,0,0,0,0,0|1,0,2]=4 1919 B11R0.3 CCCCCC#CCSCC=O 62a_100009816472_200015260668 [1,0,0,0,0,0|1,0,2]=4 1920 B11R0.3 CCCCCC#CCSCC=O 62a_200015260668_100009816472 [1,0,0,0,0,0|1,0,2]=4 1921 B11R0.3 CCCCCCCCCCNC 2230a_100000684558_200000210301 [1,0,0,0,0,0|2,0,0]=3 1922 B11R0.3 CCCCCCCCCCNC 2230a_106832991635_100000210320 [1,0,0,0,0,0|2,0,0]=3 1923 B11R0.3 CCCCCCCCCCNC 34a_100000684558_200000210301 [1,0,0,0,0,0|2,0,0]=3 1924 B11R0.3 CCCCCCCCCCNC 34a_100102657272_100000210320 [1,0,0,0,0,0|2,0,0]=3 1925 B11R0.3 CCCCCCCCCCNC 7a_106832991635_100000210320 [1,0,0,0,0,0|2,0,0]=3 1926 B11R0.3 CCCCCCCCCCN[13CH3] 2230a_100000684558_200025704644 [1,0,0,0,0,0|2,0,0]=3 1927 B11R0.3 CCCCCCCCCCN[13CH3] 34a_100000684558_200025704644 [1,0,0,0,0,0|2,0,0]=3 1928 B11R0.3 CCCCCCCCCCOC 34a_100000210711_200000210301 [1,0,0,0,0,0|2,0,0]=3 1929 B11R0.3 CCCCCCCCCCOC 34a_100138415774_100000210320 [1,0,0,0,0,0|2,0,0]=3 1930 B11R0.3 CCCCCCCCCCOC 7a_100000210711_200000210301 [1,0,0,0,0,0|2,0,0]=3 1931 B11R0.3 CCCCCCCCCCO[13CH3] 34a_100000210711_200025704644 [1,0,0,0,0,0|2,0,0]=3 1932 B11R0.3 CCCCCCCCCCO[13CH3] 7a_100000210711_200025704644 [1,0,0,0,0,0|2,0,0]=3 1933 B11R0.3 CCCCCCCCCCSC 62a_200000210301_100000210320 [1,0,0,0,0,0|2,0,0]=3 1934 B11R0.3 CCCCCCCCCCS[13CH3] 62a_200025704644_100000210320 [1,0,0,0,0,0|2,0,0]=3 1935 B11R0.3 CCCCCCCCCNCC 2230a_100000212291_100000210202 [1,0,0,0,0,0|2,0,1]=4 1936 B11R0.3 CCCCCCCCCNCC 2230a_100015525214_100011214924 [1,0,0,0,0,0|2,0,1]=4 1937 B11R0.3 CCCCCCCCCNCC 34a_100000212291_100000210202 [1,0,0,0,0,0|2,0,1]=4 1938 B11R0.3 CCCCCCCCCNCF 34a_100000212291_100015361967 [1,0,0,0,0,0|2,0,1]=4 1939 B11R0.3 CCCCCCCCCOCC 34a_100000210712_100000210202 [1,0,0,0,0,0|2,0,1]=4 1940 B11R0.3 CCCCCCCCCOCC 34a_100121572206_100011214924 [1,0,0,0,0,0|2,0,1]=4 1941 B11R0.3 CCCCCCCCCOCC 7a_100000210712_100000210202 [1,0,0,0,0,0|2,0,1]=4 1942 B11R0.3 CCCCCCCCCOCF 34a_100000210712_100015361967 [1,0,0,0,0,0|2,0,1]=4 1943 B11R0.3 CCCCCCCCCOCF 7a_100000210712_100015361967 [1,0,0,0,0,0|2,0,1]=4 1944 B11R0.3 CCCCCCCCCSCC 62a_100000210202_100000210670 [1,0,0,0,0,0|2,0,1]=4 1945 B11R0.3 CCCCCCCCCSCF 62a_100015361967_100000210670 [1,0,0,0,0,0|2,0,1]=4 1946 B11R0.3 CCCCCCCCNCC#N 2230a_100000229939_100011215382 [1,0,0,0,0,0|2,0,1]=4 1947 B11R0.3 CCCCCCCCNCC=O 2230a_100000229939_200015260668 [1,0,0,0,0,0|1,0,0]=2 1948 B11R0.3 CCCCCCCCNCC=O 34a_100000229939_200009817547 [1,0,0,0,0,0|1,0,0]=2 1949 B11R0.3 CCCCCCCCNCCC 2230a_100000229939_100000210303 [1,0,0,0,0,0|2,0,1]=4 1950 B11R0.3 CCCCCCCCNCCC 34a_100000229939_100000210303 [1,0,0,0,0,0|2,0,1]=4 1951 B11R0.3 CCCCCCCCNCCF 2230a_100000229939_100011217306 [1,0,0,0,0,0|2,0,1]=4 1952 B11R0.3 CCCCCCCCNCCF 34a_100000229939_100011217306 [1,0,0,0,0,0|2,0,1]=4 1953 B11R0.3 CCCCCCCCNCCF 34a_100000724931_100000210759 [1,0,0,0,0,0|2,0,1]=4 1954 B11R0.3 CCCCCCCCNCCO 2230a_100000229939_100000211926 [1,0,0,0,0,0|1,0,1]=3 1955 B11R0.3 CCCCCCCCNCCO 2230a_100016997473_100000210759 [1,0,0,0,0,0|1,0,1]=3 1956 B11R0.3 CCCCCCCCNCCO 34a_100000229939_100000211926 [1,0,0,0,0,0|1,0,1]=3 1957 B11R0.3 CCCCCCCCNCCO 34a_100016990907_100000210759 [1,0,0,0,0,0|1,0,1]=3 1958 B11R0.3 CCCCCCCCNCOC 2230a_100000229939_100000766300 [1,0,0,0,0,0|3,0,0]=4 1959 B11R0.3 CCCCCCCCNCSC 2230a_100000229939_100011218213 [1,0,0,0,0,0|3,0,0]=4 1960 B11R0.3 CCCCCCCCNCSC 34a_100000229939_100011218213 [1,0,0,0,0,0|3,0,0]=4 1961 B11R0.3 CCCCCCCCOCC#N 7a_100000210232_100011215382 [1,0,0,0,0,0|2,0,1]=4 1962 B11R0.3 CCCCCCCCOCC=O 34a_100000210232_200009817547 [1,0,0,0,0,0|1,0,0]=2 1963 B11R0.3 CCCCCCCCOCC=O 7a_100000210232_200015260668 [1,0,0,0,0,0|1,0,0]=2 1964 B11R0.3 CCCCCCCCOCCBr 34a_100000211926_100000210759 [1,0,0,0,0,0|2,0,1]=4 1965 B11R0.3 CCCCCCCCOCCC 34a_100000210232_100000210303 [1,0,0,0,0,0|2,0,1]=4 1966 B11R0.3 CCCCCCCCOCCC 34a_100000210258_100000210759 [1,0,0,0,0,0|2,0,1]=4 1967 B11R0.3 CCCCCCCCOCCC 7a_100000210232_100000210303 [1,0,0,0,0,0|2,0,1]=4 1968 B11R0.3 CCCCCCCCOCCF 34a_100000210232_100011217306 [1,0,0,0,0,0|2,0,1]=4 1969 B11R0.3 CCCCCCCCOCCF 7a_100000210232_100011217306 [1,0,0,0,0,0|2,0,1]=4 1970 B11R0.3 CCCCCCCCOCCN 34a_100000210304_100000210759 [1,0,0,0,0,0|2,0,1]=4 1971 B11R0.3 CCCCCCCCOCCO 34a_100000210232_100000211926 [1,0,0,0,0,0|1,0,1]=3 1972 B11R0.3 CCCCCCCCOCCO 7a_100000210232_100000211926 [1,0,0,0,0,0|1,0,1]=3 1973 B11R0.3 CCCCCCCCOCSC 34a_100000210232_100011218213 [1,0,0,0,0,0|3,0,0]=4 1974 B11R0.3 CCCCCCCCSCC#N 62a_100000210759_100011215382 [1,0,0,0,0,0|2,0,1]=4 1975 B11R0.3 CCCCCCCCSCC#N 62a_100011215382_100000210317 [1,0,0,0,0,0|2,0,1]=4 1976 B11R0.3 CCCCCCCCSCC=O 62a_100000210759_200015260668 [1,0,0,0,0,0|1,0,0]=2 1977 B11R0.3 CCCCCCCCSCC=O 62a_200015260668_100000210317 [1,0,0,0,0,0|1,0,0]=2 1978 B11R0.3 CCCCCCCCSCCC 62a_100000210303_100000210317 [1,0,0,0,0,0|2,0,1]=4 1979 B11R0.3 CCCCCCCCSCCC 62a_100000210759_100000210303 [1,0,0,0,0,0|2,0,1]=4 1980 B11R0.3 CCCCCCCCSCCF 62a_100000210759_100011217306 [1,0,0,0,0,0|2,0,1]=4 1981 B11R0.3 CCCCCCCCSCCF 62a_100011217306_100000210317 [1,0,0,0,0,0|2,0,1]=4 1982 B11R0.3 CCCCCCCCSCCO 62a_100000210759_100000211926 [1,0,0,0,0,0|1,0,1]=3 1983 B11R0.3 CCCCCCCCSCCO 62a_100000211926_100000210317 [1,0,0,0,0,0|1,0,1]=3 1984 B11R0.3 CCCCCCCCSCOC 62a_100000210759_100000766300 [1,0,0,0,0,0|3,0,0]=4 1985 B11R0.3 CCCCCCCCSCOC 62a_100000766300_100000210317 [1,0,0,0,0,0|3,0,0]=4 1986 B11R0.3 CCCCCCCCSCSC 62a_100000210759_100011218213 [1,0,0,0,0,0|3,0,0]=4 1987 B11R0.3 CCCCCCCCSCSC 62a_100011218213_100000210317 [1,0,0,0,0,0|3,0,0]=4 1988 B11R0.3 CCCCCCCNCCC#N 2230a_100000229938_100011215226 [1,0,0,0,0,0|2,0,1]=4 1989 B11R0.3 CCCCCCCNCCCC 2230a_100000102301_100000210681 [1,0,0,0,0,0|2,0,1]=4 1990 B11R0.3 CCCCCCCNCCCC 2230a_100000229938_100000210211 [1,0,0,0,0,0|2,0,1]=4 1991 B11R0.3 CCCCCCCNCCCC 7a_106832991798_100000210614 [1,0,0,0,0,0|2,0,1]=4 1992 B11R0.3 CCCCCCCNCCCF 2230a_100000229938_100011934791 [1,0,0,0,0,0|2,0,1]=4 1993 B11R0.3 CCCCCCCNCCCF 2230a_100015189416_100000210681 [1,0,0,0,0,0|2,0,1]=4 1994 B11R0.3 CCCCCCCNCCCF 34a_100015189416_100000210614 [1,0,0,0,0,0|2,0,1]=4 1995 B11R0.3 CCCCCCCNCCCO 2230a_100000229938_100000230001 [1,0,0,0,0,0|1,0,1]=3 1996 B11R0.3 CCCCCCCNCCOC 2230a_100000209980_100000210681 [1,0,0,0,0,0|3,0,0]=4 1997 B11R0.3 CCCCCCCNCCOC 2230a_100000229938_100011201679 [1,0,0,0,0,0|3,0,0]=4 1998 B11R0.3 CCCCCCCNCCSC 2230a_100000229938_100000751147 [1,0,0,0,0,0|3,0,0]=4 1999 B11R0.3 CCCCCCCNCCSC 2230a_100020590264_100000210681 [1,0,0,0,0,0|3,0,0]=4 2000 B11R0.3 CCCCCCCOCCC#N 7a_100000210272_100000184422 [1,0,0,0,0,0|2,0,1]=4 2001 B11R0.3 CCCCCCCOCCCBr 34a_100011217188_100000210614 [1,0,0,0,0,0|2,0,1]=4 2002 B11R0.3 CCCCCCCOCCCC 34a_100000210227_100000210614 [1,0,0,0,0,0|2,0,1]=4 2003 B11R0.3 CCCCCCCOCCCC 34a_100000210272_100000210210 [1,0,0,0,0,0|2,0,1]=4 2004 B11R0.3 CCCCCCCOCCCC 7a_100000210227_100000210614 [1,0,0,0,0,0|2,0,1]=4 2005 B11R0.3 CCCCCCCOCCCC 7a_100000210272_100000210211 [1,0,0,0,0,0|2,0,1]=4 2006 B11R0.3 CCCCCCCOCCCCl 34a_100000230001_100000210614 [1,0,0,0,0,0|2,0,1]=4 2007 B11R0.3 CCCCCCCOCCCF 34a_100000210272_100011934791 [1,0,0,0,0,0|2,0,1]=4 2008 B11R0.3 CCCCCCCOCCCF 34a_100000759539_100000210614 [1,0,0,0,0,0|2,0,1]=4 2009 B11R0.3 CCCCCCCOCCCF 7a_100000210272_100011934791 [1,0,0,0,0,0|2,0,1]=4 2010 B11R0.3 CCCCCCCOCCCN 34a_100000182051_100000210614 [1,0,0,0,0,0|2,0,1]=4 2011 B11R0.3 CCCCCCCOCCCO 34a_100000210272_100000230001 [1,0,0,0,0,0|1,0,1]=3 2012 B11R0.3 CCCCCCCOCCCO 7a_100000210272_100011215043 [1,0,0,0,0,0|1,0,1]=3 2013 B11R0.3 CCCCCCCOCCOC 34a_100000210237_100000210614 [1,0,0,0,0,0|3,0,0]=4 2014 B11R0.3 CCCCCCCOCCOC 34a_100000210272_100011201679 [1,0,0,0,0,0|3,0,0]=4 2015 B11R0.3 CCCCCCCOCCOC 7a_100000210272_100000233755 [1,0,0,0,0,0|3,0,0]=4 2016 B11R0.3 CCCCCCCOCCON 34a_100000700252_100000210614 [1,0,0,0,0,0|3,0,0]=4 2017 B11R0.3 CCCCCCCOCCSC 34a_100000210272_100000212216 [1,0,0,0,0,0|3,0,0]=4 2018 B11R0.3 CCCCCCCOCCSC 34a_100000230434_100000210614 [1,0,0,0,0,0|3,0,0]=4 2019 B11R0.3 CCCCCCCOCCSC 7a_100000210272_100000212216 [1,0,0,0,0,0|3,0,0]=4 2020 B11R0.3 CCCCCCCOCCSC 7a_100000230434_100000210614 [1,0,0,0,0,0|3,0,0]=4 2021 B11R0.3 CCCCCCCSCCC#N 62a_100000210614_100011215226 [1,0,0,0,0,0|2,0,1]=4 2022 B11R0.3 CCCCCCCSCCC#N 62a_100011215226_100000210316 [1,0,0,0,0,0|2,0,1]=4 2023 B11R0.3 CCCCCCCSCCCC 62a_100000210211_100000210316 [1,0,0,0,0,0|2,0,1]=4 2024 B11R0.3 CCCCCCCSCCCC 62a_100000210614_100000210210 [1,0,0,0,0,0|2,0,1]=4 2025 B11R0.3 CCCCCCCSCCCF 62a_100000210614_100011934791 [1,0,0,0,0,0|2,0,1]=4 2026 B11R0.3 CCCCCCCSCCCF 62a_100011934791_100000210316 [1,0,0,0,0,0|2,0,1]=4 2027 B11R0.3 CCCCCCCSCCCO 62a_100000210614_100011215043 [1,0,0,0,0,0|1,0,1]=3 2028 B11R0.3 CCCCCCCSCCCO 62a_100011215043_100000210316 [1,0,0,0,0,0|1,0,1]=3 2029 B11R0.3 CCCCCCCSCCOC 62a_100000210614_100000233755 [1,0,0,0,0,0|3,0,0]=4 2030 B11R0.3 CCCCCCCSCCOC 62a_100000233755_100000210316 [1,0,0,0,0,0|3,0,0]=4 2031 B11R0.3 CCCCCCCSCCSC 62a_100000210614_100000751147 [1,0,0,0,0,0|3,0,0]=4 2032 B11R0.3 CCCCCCCSCCSC 62a_100000212216_100000210316 [1,0,0,0,0,0|3,0,0]=4 2033 B11R0.3 CCCCCCNCCCC#N 2230a_100000210581_100000687738 [1,0,0,0,0,0|2,0,1]=4 2034 B11R0.3 CCCCCCNCCCC=O 2230a_100000210581_200011292268 [1,0,0,0,0,0|1,0,0]=2 2035 B11R0.3 CCCCCCNCCCCC 2230a_100000209983_100000210314 [1,0,0,0,0,0|2,0,1]=4 2036 B11R0.3 CCCCCCNCCCCC 2230a_100000210581_100000210326 [1,0,0,0,0,0|2,0,1]=4 2037 B11R0.3 CCCCCCNCCCCF 2230a_100000210581_100000729493 [1,0,0,0,0,0|2,0,1]=4 2038 B11R0.3 CCCCCCNCCCCO 2230a_100000210581_100000210776 [1,0,0,0,0,0|1,0,1]=3 2039 B11R0.3 CCCCCCNCCCCO 2230a_100000750430_100000210314 [1,0,0,0,0,0|1,0,1]=3 2040 B11R0.3 CCCCCCNCCCCO 34a_100000750430_100000210314 [1,0,0,0,0,0|1,0,1]=3 2041 B11R0.3 CCCCCCNCCCOC 2230a_100000210581_100000740836 [1,0,0,0,0,0|3,0,0]=4 2042 B11R0.3 CCCCCCNCCCOC 34a_100150723488_100000210314 [1,0,0,0,0,0|3,0,0]=4 2043 B11R0.3 CCCCCCNCCCSC 2230a_100000749238_100000210314 [1,0,0,0,0,0|3,0,0]=4 2044 B11R0.3 CCCCCCOCCCC#N 7a_100000210259_100000687738 [1,0,0,0,0,0|2,0,1]=4 2045 B11R0.3 CCCCCCOCCCC=O 7a_100000210259_200011292268 [1,0,0,0,0,0|1,0,0]=2 2046 B11R0.3 CCCCCCOCCCCBr 34a_100011216708_100000210314 [1,0,0,0,0,0|2,0,1]=4 2047 B11R0.3 CCCCCCOCCCCC 34a_100000210253_100000210314 [1,0,0,0,0,0|2,0,1]=4 2048 B11R0.3 CCCCCCOCCCCC 34a_100000210259_100000718602 [1,0,0,0,0,0|2,0,1]=4 2049 B11R0.3 CCCCCCOCCCCC 7a_100000210253_100000210314 [1,0,0,0,0,0|2,0,1]=4 2050 B11R0.3 CCCCCCOCCCCC 7a_100000210259_100000210326 [1,0,0,0,0,0|2,0,1]=4 2051 B11R0.3 CCCCCCOCCCCCl 34a_100000210776_100000210314 [1,0,0,0,0,0|2,0,1]=4 2052 B11R0.3 CCCCCCOCCCCCl 7a_100000210776_100000210314 [1,0,0,0,0,0|2,0,1]=4 2053 B11R0.3 CCCCCCOCCCCF 34a_100000210259_100000729493 [1,0,0,0,0,0|2,0,1]=4 2054 B11R0.3 CCCCCCOCCCCF 34a_100011995726_100000210314 [1,0,0,0,0,0|2,0,1]=4 2055 B11R0.3 CCCCCCOCCCCF 7a_100000210259_100000729493 [1,0,0,0,0,0|2,0,1]=4 2056 B11R0.3 CCCCCCOCCCCF 7a_100011995726_100000210314 [1,0,0,0,0,0|2,0,1]=4 2057 B11R0.3 CCCCCCOCCCCI 34a_200012148704_100000210314 [1,0,0,0,0,0|2,0,1]=4 2058 B11R0.3 CCCCCCOCCCCN 34a_100000750430_100000210314 [1,0,0,0,0,0|2,0,1]=4 2059 B11R0.3 CCCCCCOCCCCO 34a_100000210259_100011216708 [1,0,0,0,0,0|1,0,1]=3 2060 B11R0.3 CCCCCCOCCCCO 7a_100000210259_100000210776 [1,0,0,0,0,0|1,0,1]=3 2061 B11R0.3 CCCCCCOCCCNC 34a_100000213112_100000210314 [1,0,0,0,0,0|3,0,0]=4 2062 B11R0.3 CCCCCCOCCCOC 34a_100000210259_100000740836 [1,0,0,0,0,0|3,0,0]=4 2063 B11R0.3 CCCCCCOCCCOC 34a_100000740835_100000210314 [1,0,0,0,0,0|3,0,0]=4 2064 B11R0.3 CCCCCCOCCCOC 7a_100000210259_100000740836 [1,0,0,0,0,0|3,0,0]=4 2065 B11R0.3 CCCCCCOCCCSC 34a_100000690336_100000210314 [1,0,0,0,0,0|3,0,0]=4 2066 B11R0.3 CCCCCCOCCCSC 7a_100000690336_100000210314 [1,0,0,0,0,0|3,0,0]=4 2067 B11R0.3 CCCCCCSCCCC#N 62a_100000210314_100000687738 [1,0,0,0,0,0|2,0,1]=4 2068 B11R0.3 CCCCCCSCCCC#N 62a_100000687738_100000210757 [1,0,0,0,0,0|2,0,1]=4 2069 B11R0.3 CCCCCCSCCCC=O 62a_100000210314_200011292268 [1,0,0,0,0,0|1,0,0]=2 2070 B11R0.3 CCCCCCSCCCC=O 62a_200011292268_100000210757 [1,0,0,0,0,0|1,0,0]=2 2071 B11R0.3 CCCCCCSCCCCC 62a_100000210314_100000210326 [1,0,0,0,0,0|2,0,1]=4 2072 B11R0.3 CCCCCCSCCCCC 62a_100000210326_100000210757 [1,0,0,0,0,0|2,0,1]=4 2073 B11R0.3 CCCCCCSCCCCF 62a_100000210314_100000729493 [1,0,0,0,0,0|2,0,1]=4 2074 B11R0.3 CCCCCCSCCCCF 62a_100000729493_100000210757 [1,0,0,0,0,0|2,0,1]=4 2075 B11R0.3 CCCCCCSCCCCO 62a_100000210314_100000210776 [1,0,0,0,0,0|1,0,1]=3 2076 B11R0.3 CCCCCCSCCCCO 62a_100000210776_100000210757 [1,0,0,0,0,0|1,0,1]=3 2077 B11R0.3 CCCCCCSCCCOC 62a_100000210314_100000709357 [1,0,0,0,0,0|3,0,0]=4 2078 B11R0.3 CCCCCCSCCCOC 62a_100000709357_100000210757 [1,0,0,0,0,0|3,0,0]=4 2079 B11R0.3 CCCCCNCCCCC#N 2230a_100000209983_100000211819 [1,0,0,0,0,0|2,0,1]=4 2080 B11R0.3 CCCCCNCCCCC=O 2230a_100000209983_100000139335 [1,0,0,0,0,0|1,0,0]=2 2081 B11R0.3 CCCCCNCCCCCF 2230a_100000209983_100000729378 [1,0,0,0,0,0|2,0,1]=4 2082 B11R0.3 CCCCCNCCCCCO 2230a_100000209983_100000746330 [1,0,0,0,0,0|1,0,1]=3 2083 B11R0.3 CCCCCNCCCCCO 2230a_100000762737_100000210326 [1,0,0,0,0,0|1,0,1]=3 2084 B11R0.3 CCCCCNCCCCCO 34a_100000762737_100000718602 [1,0,0,0,0,0|1,0,1]=3 2085 B11R0.3 CCCCCNCCCCOC 2230a_100000209983_100000730899 [1,0,0,0,0,0|3,0,0]=4 2086 B11R0.3 CCCCCNCCOCC=O 34a_100000224656_200009817547 [1,0,0,0,0,0|2,0,0]=3 2087 B11R0.3 CCCCCNCCOCCO 2230a_100000209983_100011215305 [1,0,0,0,0,0|2,0,1]=4 2088 B11R0.3 CCCCCNCCOCCO 2230a_100000211614_100000210326 [1,0,0,0,0,0|2,0,1]=4 2089 B11R0.3 CCCCCNCCOCCO 34a_100000211614_100000718602 [1,0,0,0,0,0|2,0,1]=4 2090 B11R0.3 CCCCCNCCOCCO 34a_100000224656_100000211926 [1,0,0,0,0,0|2,0,1]=4 2091 B11R0.3 CCCCCNCCSCCO 2230a_100011219999_100000210326 [1,0,0,0,0,0|2,0,1]=4 2092 B11R0.3 CCCCCOCCCCC#N 7a_100000210253_100000211819 [1,0,0,0,0,0|2,0,1]=4 2093 B11R0.3 CCCCCOCCCCC=O 7a_100000210253_100000139335 [1,0,0,0,0,0|1,0,0]=2 2094 B11R0.3 CCCCCOCCCCCBr 34a_100000746331_100000718602 [1,0,0,0,0,0|2,0,1]=4 2095 B11R0.3 CCCCCOCCCCCBr 7a_100000746331_100000210326 [1,0,0,0,0,0|2,0,1]=4 2096 B11R0.3 CCCCCOCCCCCCl 34a_100000746330_100000718602 [1,0,0,0,0,0|2,0,1]=4 2097 B11R0.3 CCCCCOCCCCCCl 7a_100000746330_100000210326 [1,0,0,0,0,0|2,0,1]=4 2098 B11R0.3 CCCCCOCCCCCF 34a_100000210253_100000729378 [1,0,0,0,0,0|2,0,1]=4 2099 B11R0.3 CCCCCOCCCCCF 7a_100000210253_100000729378 [1,0,0,0,0,0|2,0,1]=4 2100 B11R0.3 CCCCCOCCCCCI 34a_200012148887_100000718602 [1,0,0,0,0,0|2,0,1]=4 2101 B11R0.3 CCCCCOCCCCCI 7a_200012148887_100000210326 [1,0,0,0,0,0|2,0,1]=4 2102 B11R0.3 CCCCCOCCCCCN 34a_100000762737_100000718602 [1,0,0,0,0,0|2,0,1]=4 2103 B11R0.3 CCCCCOCCCCCO 34a_100000210253_100000746330 [1,0,0,0,0,0|1,0,1]=3 2104 B11R0.3 CCCCCOCCCCCO 7a_100000210253_100000746330 [1,0,0,0,0,0|1,0,1]=3 2105 B11R0.3 CCCCCOCCCCOC 34a_100000210253_100000755781 [1,0,0,0,0,0|3,0,0]=4 2106 B11R0.3 CCCCCOCCCCOC 34a_100000740925_100000718602 [1,0,0,0,0,0|3,0,0]=4 2107 B11R0.3 CCCCCOCCCCOC 7a_100000210253_100000730899 [1,0,0,0,0,0|3,0,0]=4 2108 B11R0.3 CCCCCOCCCCSC 34a_100011217163_100000718602 [1,0,0,0,0,0|3,0,0]=4 2109 B11R0.3 CCCCCOCCCCSC 7a_100011217163_100000210326 [1,0,0,0,0,0|3,0,0]=4 2110 B11R0.3 CCCCCOCCOCC=O 34a_100011215259_200009817547 [1,0,0,0,0,0|2,0,0]=3 2111 B11R0.3 CCCCCOCCOCC=O 7a_100011215259_200015260668 [1,0,0,0,0,0|2,0,0]=3 2112 B11R0.3 CCCCCOCCOCCO 34a_100000210253_100000692535 [1,0,0,0,0,0|2,0,1]=4 2113 B11R0.3 CCCCCOCCOCCO 34a_100011215259_100000211926 [1,0,0,0,0,0|2,0,1]=4 2114 B11R0.3 CCCCCOCCOCCO 7a_100000210253_100011215305 [1,0,0,0,0,0|2,0,1]=4 2115 B11R0.3 CCCCCOCCOCCO 7a_100011215259_100000211926 [1,0,0,0,0,0|2,0,1]=4 2116 B11R0.3 CCCCCSCCCCC#N 62a_100000210326_100000211819 [1,0,0,0,0,0|2,0,1]=4 2117 B11R0.3 CCCCCSCCCCC#N 62a_100011219923_100000210326 [1,0,0,0,0,0|2,0,1]=4 2118 B11R0.3 CCCCCSCCCCC=O 62a_100000139335_100000210326 [1,0,0,0,0,0|1,0,0]=2 2119 B11R0.3 CCCCCSCCCCC=O 62a_100000210326_100000139335 [1,0,0,0,0,0|1,0,0]=2 2120 B11R0.3 CCCCCSCCCCCF 62a_100000210326_100000729378 [1,0,0,0,0,0|2,0,1]=4 2121 B11R0.3 CCCCCSCCCCCF 62a_100000729378_100000210326 [1,0,0,0,0,0|2,0,1]=4 2122 B11R0.3 CCCCCSCCCCCO 62a_100000210326_100000746330 [1,0,0,0,0,0|1,0,1]=3 2123 B11R0.3 CCCCCSCCCCCO 62a_100000746330_100000210326 [1,0,0,0,0,0|1,0,1]=3 2124 B11R0.3 CCCCCSCCCCOC 62a_100000210326_100000730899 [1,0,0,0,0,0|3,0,0]=4 2125 B11R0.3 CCCCCSCCCCOC 62a_100000730899_100000210326 [1,0,0,0,0,0|3,0,0]=4 2126 B11R0.3 CCCCCSCCOCCO 62a_100000210326_100011215305 [1,0,0,0,0,0|2,0,1]=4 2127 B11R0.3 CCCCCSCCOCCO 62a_100011215305_100000210326 [1,0,0,0,0,0|2,0,1]=4 2128 B11R0.3 CCCCNCCCCCC#N 2230a_100000102301_100009813376 [1,0,0,0,0,0|2,0,1]=4 2129 B11R0.3 CCCCNCCCCCC#N 7a_106832991798_100009813376 [1,0,0,0,0,0|2,0,1]=4 2130 B11R0.3 CCCCNCCCCCC=O 2230a_100000102301_100000139337 [1,0,0,0,0,0|1,0,0]=2 2131 B11R0.3 CCCCNCCCCCC=O 7a_106832991798_100000139337 [1,0,0,0,0,0|1,0,0]=2 2132 B11R0.3 CCCCNCCCCCCF 2230a_100000102301_100015922095 [1,0,0,0,0,0|2,0,1]=4 2133 B11R0.3 CCCCNCCCCCCF 7a_106832991798_100015922095 [1,0,0,0,0,0|2,0,1]=4 2134 B11R0.3 CCCCNCCCCCCO 2230a_100000102301_100000766143 [1,0,0,0,0,0|1,0,1]=3 2135 B11R0.3 CCCCNCCCCCCO 2230a_100000686447_100000210211 [1,0,0,0,0,0|1,0,1]=3 2136 B11R0.3 CCCCNCCCCCCO 34a_100000686447_100000210210 [1,0,0,0,0,0|1,0,1]=3 2137 B11R0.3 CCCCNCCCCCCO 7a_106832991798_100000766143 [1,0,0,0,0,0|1,0,1]=3 2138 B11R0.3 CCCCNCCCCCOC 2230a_100000747528_100000210211 [1,0,0,0,0,0|3,0,0]=4 2139 B11R0.3 CCCCNCCCCCOC 34a_100000747528_100000210210 [1,0,0,0,0,0|3,0,0]=4 2140 B11R0.3 CCCCOCCCCCC#N 7a_100000210227_100009813376 [1,0,0,0,0,0|2,0,1]=4 2141 B11R0.3 CCCCOCCCCCC=O 7a_100000210227_100000139337 [1,0,0,0,0,0|1,0,0]=2 2142 B11R0.3 CCCCOCCCCCCBr 34a_100011215345_100000210210 [1,0,0,0,0,0|2,0,1]=4 2143 B11R0.3 CCCCOCCCCCCBr 7a_100011215345_100000210211 [1,0,0,0,0,0|2,0,1]=4 2144 B11R0.3 CCCCOCCCCCCCl 34a_100000766143_100000210210 [1,0,0,0,0,0|2,0,1]=4 2145 B11R0.3 CCCCOCCCCCCCl 7a_100000766143_100000210211 [1,0,0,0,0,0|2,0,1]=4 2146 B11R0.3 CCCCOCCCCCCF 34a_100000210227_100015922095 [1,0,0,0,0,0|2,0,1]=4 2147 B11R0.3 CCCCOCCCCCCF 34a_100000732779_100000210210 [1,0,0,0,0,0|2,0,1]=4 2148 B11R0.3 CCCCOCCCCCCF 7a_100000210227_100015922095 [1,0,0,0,0,0|2,0,1]=4 2149 B11R0.3 CCCCOCCCCCCF 7a_100000732779_100000210211 [1,0,0,0,0,0|2,0,1]=4 2150 B11R0.3 CCCCOCCCCCCN 34a_100000686447_100000210210 [1,0,0,0,0,0|2,0,1]=4 2151 B11R0.3 CCCCOCCCCCCO 34a_100000210227_100000766143 [1,0,0,0,0,0|1,0,1]=3 2152 B11R0.3 CCCCOCCCCCCO 7a_100000210227_100000766143 [1,0,0,0,0,0|1,0,1]=3 2153 B11R0.3 CCCCOCCCCCNC 34a_100000722520_100000210210 [1,0,0,0,0,0|3,0,0]=4 2154 B11R0.3 CCCCOCCCNCC=O 2230a_200000211371_200015260668 [1,0,0,0,0,0|2,0,0]=3 2155 B11R0.3 CCCCOCCCNCC=O 34a_200000211371_200009817547 [1,0,0,0,0,0|2,0,0]=3 2156 B11R0.3 CCCCOCCCNCCO 2230a_200000211371_100000211926 [1,0,0,0,0,0|2,0,1]=4 2157 B11R0.3 CCCCOCCCNCCO 34a_200000211371_100000211926 [1,0,0,0,0,0|2,0,1]=4 2158 B11R0.3 CCCCOCCCOCC=O 34a_200011215613_200009817547 [1,0,0,0,0,0|2,0,0]=3 2159 B11R0.3 CCCCOCCCOCC=O 7a_200011215613_200015260668 [1,0,0,0,0,0|2,0,0]=3 2160 B11R0.3 CCCCOCCCOCCO 34a_200011215613_100000211926 [1,0,0,0,0,0|2,0,1]=4 2161 B11R0.3 CCCCOCCCOCCO 7a_200011215613_100000211926 [1,0,0,0,0,0|2,0,1]=4 2162 B11R0.3 CCCCOCCOCCCO 34a_100000210238_100000230001 [1,0,0,0,0,0|2,0,1]=4 2163 B11R0.3 CCCCOCCOCCCO 7a_100000210238_100011215043 [1,0,0,0,0,0|2,0,1]=4 2164 B11R0.3 CCCCOCCSCCCO 62a_100000743108_100011215043 [1,0,0,0,0,0|2,0,1]=4 2165 B11R0.3 CCCCOCCSCCCO 62a_100011215043_100000743108 [1,0,0,0,0,0|2,0,1]=4 2166 B11R0.3 CCCCOCNCCCCO 2230a_100000750430_100011995733 [1,0,0,0,0,0|2,0,1]=4 2167 B11R0.3 CCCCOCNCCCCO 34a_100000750430_100011995733 [1,0,0,0,0,0|2,0,1]=4 2168 B11R0.3 CCCCOCSCCCC=O 62a_100011995733_200011292268 [1,0,0,0,0,0|2,0,0]=3 2169 B11R0.3 CCCCOCSCCCC=O 62a_200011292268_100011995733 [1,0,0,0,0,0|2,0,0]=3 2170 B11R0.3 CCCCOCSCCCCO 62a_100000210776_100011995733 [1,0,0,0,0,0|2,0,1]=4 2171 B11R0.3 CCCCOCSCCCCO 62a_100011995733_100000210776 [1,0,0,0,0,0|2,0,1]=4 2172 B11R0.3 CCCCSCCCCCC#N 62a_100000210211_100009813376 [1,0,0,0,0,0|2,0,1]=4 2173 B11R0.3 CCCCSCCCCCC#N 62a_100009813376_100000210210 [1,0,0,0,0,0|2,0,1]=4 2174 B11R0.3 CCCCSCCCCCC=O 62a_100000139337_100000210210 [1,0,0,0,0,0|1,0,0]=2 2175 B11R0.3 CCCCSCCCCCC=O 62a_100000210211_100000139337 [1,0,0,0,0,0|1,0,0]=2 2176 B11R0.3 CCCCSCCCCCCF 62a_100000210211_100015922095 [1,0,0,0,0,0|2,0,1]=4 2177 B11R0.3 CCCCSCCCCCCF 62a_100015922095_100000210210 [1,0,0,0,0,0|2,0,1]=4 2178 B11R0.3 CCCCSCCCCCCO 62a_100000210211_100000766143 [1,0,0,0,0,0|1,0,1]=3 2179 B11R0.3 CCCCSCCCCCCO 62a_100000766143_100000210210 [1,0,0,0,0,0|1,0,1]=3 2180 B11R0.3 CCCCSCCNCCCO 2230a_100025743550_100000230001 [1,0,0,0,0,0|2,0,1]=4 2181 B11R0.3 CCCCSCCOCCCO 34a_200000230436_100000230001 [1,0,0,0,0,0|2,0,1]=4 2182 B11R0.3 CCCCSCCOCCCO 7a_200000230436_100011215043 [1,0,0,0,0,0|2,0,1]=4 2183 B11R0.3 CCCNCCCCCCCO 2230a_100011996573_100000210303 [1,0,0,0,0,0|1,0,1]=3 2184 B11R0.3 CCCNCCCCCCCO 34a_100011996573_100000210303 [1,0,0,0,0,0|1,0,1]=3 2185 B11R0.3 CCCNCCCOCCCO 2230a_100011310245_100000210303 [1,0,0,0,0,0|2,0,1]=4 2186 B11R0.3 CCCNCCCOCCCO 34a_100011310245_100000210303 [1,0,0,0,0,0|2,0,1]=4 2187 B11R0.3 CCCOCCCCCCCBr 34a_100000760002_100000210303 [1,0,0,0,0,0|2,0,1]=4 2188 B11R0.3 CCCOCCCCCCCBr 7a_100000760002_100000210303 [1,0,0,0,0,0|2,0,1]=4 2189 B11R0.3 CCCOCCCCCCCN 34a_100011996573_100000210303 [1,0,0,0,0,0|2,0,1]=4 2190 B11R0.3 CCCOCCCCCCCO 34a_100000210258_100000760002 [1,0,0,0,0,0|1,0,1]=3 2191 B11R0.3 CCCOCCCCCCOC 34a_100000210258_100011998445 [1,0,0,0,0,0|3,0,0]=4 2192 B11R0.3 CCCOCCCCCCOC 34a_200012092642_100000210303 [1,0,0,0,0,0|3,0,0]=4 2193 B11R0.3 CCCOCCCCCCOC 7a_200012092642_100000210303 [1,0,0,0,0,0|3,0,0]=4 2194 B11R0.3 CCCOCCCNCCCO 2230a_100011217757_100000230001 [1,0,0,0,0,0|2,0,1]=4 2195 B11R0.3 CCCOCCCNCCCO 34a_100011217757_100000230001 [1,0,0,0,0,0|2,0,1]=4 2196 B11R0.3 CCCOCCNCCCC=O 2230a_100161115042_200011292268 [1,0,0,0,0,0|2,0,0]=3 2197 B11R0.3 CCCOCCNCCCCO 2230a_100000750430_100011215938 [1,0,0,0,0,0|2,0,1]=4 2198 B11R0.3 CCCOCCNCCCCO 2230a_100161115042_100000210776 [1,0,0,0,0,0|2,0,1]=4 2199 B11R0.3 CCCOCCNCCCCO 34a_100000750430_100011215938 [1,0,0,0,0,0|2,0,1]=4 2200 B11R0.3 CCCOCCNCCCCO 34a_100161115042_100011216708 [1,0,0,0,0,0|2,0,1]=4 2201 B11R0.3 CCCOCCOCCCC=O 7a_100000752267_200011292268 [1,0,0,0,0,0|2,0,0]=3 2202 B11R0.3 CCCOCCOCCCCO 34a_100000752267_100011216708 [1,0,0,0,0,0|2,0,1]=4 2203 B11R0.3 CCCOCCOCCCCO 7a_100000752267_100000210776 [1,0,0,0,0,0|2,0,1]=4 2204 B11R0.3 CCCOCCSCCCC=O 62a_100011215938_200011292268 [1,0,0,0,0,0|2,0,0]=3 2205 B11R0.3 CCCOCCSCCCC=O 62a_200011292268_100011215938 [1,0,0,0,0,0|2,0,0]=3 2206 B11R0.3 CCCOCCSCCCCO 62a_100000210776_100011215938 [1,0,0,0,0,0|2,0,1]=4 2207 B11R0.3 CCCOCCSCCCCO 62a_100011215938_100000210776 [1,0,0,0,0,0|2,0,1]=4 2208 B11R0.3 CCCSCCCCCCC#N 62a_100000210303_100009813337 [1,0,0,0,0,0|2,0,1]=4 2209 B11R0.3 CCCSCCCCCCC#N 62a_100009813337_100000210303 [1,0,0,0,0,0|2,0,1]=4 2210 B11R0.3 CCCSCCCCCCCO 62a_100000210303_100000760002 [1,0,0,0,0,0|1,0,1]=3 2211 B11R0.3 CCCSCCCCCCCO 62a_100000760002_100000210303 [1,0,0,0,0,0|1,0,1]=3 2212 B11R0.3 CCCSCCCCCCOC 62a_100000210303_100011998445 [1,0,0,0,0,0|3,0,0]=4 2213 B11R0.3 CCCSCCCCCCOC 62a_100011998445_100000210303 [1,0,0,0,0,0|3,0,0]=4 2214 B11R0.3 CCCSCCNCCCC=O 2230a_100020603323_200011292268 [1,0,0,0,0,0|2,0,0]=3 2215 B11R0.3 CCCSCCNCCCCO 2230a_100020603323_100000210776 [1,0,0,0,0,0|2,0,1]=4 2216 B11R0.3 CCCSCCOCCCC=O 7a_200000230433_200011292268 [1,0,0,0,0,0|2,0,0]=3 2217 B11R0.3 CCCSCCOCCCCO 34a_200000230433_100011216708 [1,0,0,0,0,0|2,0,1]=4 2218 B11R0.3 CCCSCCOCCCCO 7a_200000230433_100000210776 [1,0,0,0,0,0|2,0,1]=4 2219 B11R0.3 CCNCCCCCCCCO 2230a_100015525214_100000033203 [1,0,0,0,0,0|1,0,1]=3 2220 B11R0.3 CCNCCCCCCCCO 2230a_102515433106_100000210202 [1,0,0,0,0,0|1,0,1]=3 2221 B11R0.3 CCNCCCCCCCCO 34a_102515433106_100000210202 [1,0,0,0,0,0|1,0,1]=3 2222 B11R0.3 CCOCCCCCCCCBr 34a_100009813846_100000210202 [1,0,0,0,0,0|2,0,1]=4 2223 B11R0.3 CCOCCCCCCCCBr 7a_100009813846_100000210202 [1,0,0,0,0,0|2,0,1]=4 2224 B11R0.3 CCOCCCCCCCCCl 34a_100000033203_100000210202 [1,0,0,0,0,0|2,0,1]=4 2225 B11R0.3 CCOCCCCCCCCCl 7a_100000033203_100000210202 [1,0,0,0,0,0|2,0,1]=4 2226 B11R0.3 CCOCCCCCCCCN 34a_102515433106_100000210202 [1,0,0,0,0,0|2,0,1]=4 2227 B11R0.3 CCOCCCCCCCCO 34a_100121572206_100000033203 [1,0,0,0,0,0|1,0,1]=3 2228 B11R0.3 CCOCCCNCCCC=O 2230a_100000210961_200011292268 [1,0,0,0,0,0|2,0,0]=3 2229 B11R0.3 CCOCCCNCCCCO 2230a_100000210961_100000210776 [1,0,0,0,0,0|2,0,1]=4 2230 B11R0.3 CCOCCCNCCCCO 2230a_100000750430_100012232248 [1,0,0,0,0,0|2,0,1]=4 2231 B11R0.3 CCOCCCNCCCCO 34a_100000210961_100011216708 [1,0,0,0,0,0|2,0,1]=4 2232 B11R0.3 CCOCCCNCCCCO 34a_100000750430_100012232248 [1,0,0,0,0,0|2,0,1]=4 2233 B11R0.3 CCOCCCOCCCC=O 7a_100000757476_200011292268 [1,0,0,0,0,0|2,0,0]=3 2234 B11R0.3 CCOCCCOCCCCO 34a_100000757476_100011216708 [1,0,0,0,0,0|2,0,1]=4 2235 B11R0.3 CCOCCCOCCCCO 7a_100000757476_100000210776 [1,0,0,0,0,0|2,0,1]=4 2236 B11R0.3 CCOCCCSCCCC=O 62a_100012232248_200011292268 [1,0,0,0,0,0|2,0,0]=3 2237 B11R0.3 CCOCCCSCCCC=O 62a_200011292268_100012232248 [1,0,0,0,0,0|2,0,0]=3 2238 B11R0.3 CCOCCCSCCCCO 62a_100000210776_100012232248 [1,0,0,0,0,0|2,0,1]=4 2239 B11R0.3 CCOCCCSCCCCO 62a_100012232248_100000210776 [1,0,0,0,0,0|2,0,1]=4 2240 B11R0.3 CCOCCNCCCCC=O 2230a_102516460346_100000139335 [1,0,0,0,0,0|2,0,0]=3 2241 B11R0.3 CCOCCNCCCCCO 2230a_100000762737_100011215890 [1,0,0,0,0,0|2,0,1]=4 2242 B11R0.3 CCOCCNCCCCCO 2230a_102516460346_100000746330 [1,0,0,0,0,0|2,0,1]=4 2243 B11R0.3 CCOCCNCCCCCO 34a_100000762737_100000210147 [1,0,0,0,0,0|2,0,1]=4 2244 B11R0.3 CCOCCNCCCCCO 34a_102516460346_100000746330 [1,0,0,0,0,0|2,0,1]=4 2245 B11R0.3 CCOCCOCCCCC=O 7a_100000210136_100000139335 [1,0,0,0,0,0|2,0,0]=3 2246 B11R0.3 CCOCCOCCCCCO 34a_100000210136_100000746330 [1,0,0,0,0,0|2,0,1]=4 2247 B11R0.3 CCOCCOCCCCCO 7a_100000210136_100000746330 [1,0,0,0,0,0|2,0,1]=4 2248 B11R0.3 CCOCCOCCNCC=O 2230a_100102712874_200015260668 [1,0,0,0,0,0|3,0,0]=4 2249 B11R0.3 CCOCCOCCNCC=O 34a_100102712874_200009817547 [1,0,0,0,0,0|3,0,0]=4 2250 B11R0.3 CCOCCOCCOCC=O 34a_100000210240_200009817547 [1,0,0,0,0,0|3,0,0]=4 2251 B11R0.3 CCOCCOCCOCC=O 7a_100000210240_200015260668 [1,0,0,0,0,0|3,0,0]=4 2252 B11R0.3 CCOCCOCCSCC=O 62a_100011211534_200015260668 [1,0,0,0,0,0|3,0,0]=4 2253 B11R0.3 CCOCCOCCSCC=O 62a_200015260668_100011211534 [1,0,0,0,0,0|3,0,0]=4 2254 B11R0.3 CCOCCSCCCCC=O 62a_100000139335_100011215890 [1,0,0,0,0,0|2,0,0]=3 2255 B11R0.3 CCOCCSCCCCC=O 62a_100000210147_100000139335 [1,0,0,0,0,0|2,0,0]=3 2256 B11R0.3 CCOCCSCCCCCO 62a_100000210147_100000746330 [1,0,0,0,0,0|2,0,1]=4 2257 B11R0.3 CCOCCSCCCCCO 62a_100000746330_100011215890 [1,0,0,0,0,0|2,0,1]=4 2258 B11R0.3 CCOCSCCCCCC=O 62a_100000139337_100000739092 [1,0,0,0,0,0|2,0,0]=3 2259 B11R0.3 CCOCSCCCCCC=O 62a_100000739092_100000139337 [1,0,0,0,0,0|2,0,0]=3 2260 B11R0.3 CCOCSCCCCCCO 62a_100000739092_100000766143 [1,0,0,0,0,0|2,0,1]=4 2261 B11R0.3 CCOCSCCCCCCO 62a_100000766143_100000739092 [1,0,0,0,0,0|2,0,1]=4 2262 B11R0.3 CCSCCCCCCCCO 62a_100000033203_100000210202 [1,0,0,0,0,0|1,0,1]=3 2263 B11R0.3 CCSCCCCCCCCO 62a_100000210202_100000033203 [1,0,0,0,0,0|1,0,1]=3 2264 B11R0.3 CCSCCCOCCCC=O 7a_100011216438_200011292268 [1,0,0,0,0,0|2,0,0]=3 2265 B11R0.3 CCSCCCOCCCCO 34a_100011216438_100011216708 [1,0,0,0,0,0|2,0,1]=4 2266 B11R0.3 CCSCCCOCCCCO 7a_100011216438_100000210776 [1,0,0,0,0,0|2,0,1]=4 2267 B11R0.3 CCSCCNCCCCC=O 2230a_100000106463_100000139335 [1,0,0,0,0,0|2,0,0]=3 2268 B11R0.3 CCSCCNCCCCCO 2230a_100000106463_100000746330 [1,0,0,0,0,0|2,0,1]=4 2269 B11R0.3 CCSCCNCCCCCO 2230a_100000762737_100000757381 [1,0,0,0,0,0|2,0,1]=4 2270 B11R0.3 CCSCCNCCCCCO 34a_100000762737_100000757381 [1,0,0,0,0,0|2,0,1]=4 2271 B11R0.3 CCSCCOCCCCC=O 7a_100000212035_100000139335 [1,0,0,0,0,0|2,0,0]=3 2272 B11R0.3 CCSCCOCCCCCO 34a_100000212035_100000746330 [1,0,0,0,0,0|2,0,1]=4 2273 B11R0.3 CCSCCOCCCCCO 7a_100000212035_100000746330 [1,0,0,0,0,0|2,0,1]=4 2274 B11R0.3 CCSCCSCCCCC=O 62a_100000139335_100000757381 [1,0,0,0,0,0|2,0,0]=3 2275 B11R0.3 CCSCCSCCCCC=O 62a_100000757381_100000139335 [1,0,0,0,0,0|2,0,0]=3 2276 B11R0.3 CCSCCSCCCCCO 62a_100000746330_100000757381 [1,0,0,0,0,0|2,0,1]=4 2277 B11R0.3 CCSCCSCCCCCO 62a_100000757381_100000746330 [1,0,0,0,0,0|2,0,1]=4 2278 B11R0.3 CNCCCCCCCCCO 2230a_100000078944_200000210301 [1,0,0,0,0,0|1,0,1]=3 2279 B11R0.3 CNCCCCCCCCCO 2230a_106832991635_100009813782 [1,0,0,0,0,0|1,0,1]=3 2280 B11R0.3 CNCCCCCCCCCO 34a_100000078944_200000210301 [1,0,0,0,0,0|1,0,1]=3 2281 B11R0.3 CNCCCCCCCCCO 34a_100102657272_100009813782 [1,0,0,0,0,0|1,0,1]=3 2282 B11R0.3 CNCCCCCCCCCO 7a_106832991635_100009813782 [1,0,0,0,0,0|1,0,1]=3 2283 B11R0.3 CNCCCCCOCCCO 34a_100000722520_100000230001 [1,0,0,0,0,0|2,0,1]=4 2284 B11R0.3 CNCCCOCCCCCO 34a_100000213112_100000746330 [1,0,0,0,0,0|2,0,1]=4 2285 B11R0.3 COCCCCCCCCCBr 34a_100009813782_200000210301 [1,0,0,0,0,0|2,0,1]=4 2286 B11R0.3 COCCCCCCCCCBr 7a_100009813782_200000210301 [1,0,0,0,0,0|2,0,1]=4 2287 B11R0.3 COCCCCCCCCCCl 34a_100009868337_200000210301 [1,0,0,0,0,0|2,0,1]=4 2288 B11R0.3 COCCCCCCCCCCl 7a_100009868337_200000210301 [1,0,0,0,0,0|2,0,1]=4 2289 B11R0.3 COCCCCCCCCCN 34a_100000078944_200000210301 [1,0,0,0,0,0|2,0,1]=4 2290 B11R0.3 COCCCCCCCCCO 34a_100138415774_100009813782 [1,0,0,0,0,0|1,0,1]=3 2291 B11R0.3 COCCCCCCNCCO 2230a_100016997473_100011998445 [1,0,0,0,0,0|2,0,1]=4 2292 B11R0.3 COCCCCCCNCCO 34a_100016990907_100011998445 [1,0,0,0,0,0|2,0,1]=4 2293 B11R0.3 COCCCCCCOCC=O 34a_200012092642_200009817547 [1,0,0,0,0,0|2,0,0]=3 2294 B11R0.3 COCCCCCCOCC=O 7a_200012092642_200015260668 [1,0,0,0,0,0|2,0,0]=3 2295 B11R0.3 COCCCCCCOCCO 34a_200012092642_100000211926 [1,0,0,0,0,0|2,0,1]=4 2296 B11R0.3 COCCCCCCOCCO 7a_200012092642_100000211926 [1,0,0,0,0,0|2,0,1]=4 2297 B11R0.3 COCCCCCCSCC=O 62a_100011998445_200015260668 [1,0,0,0,0,0|2,0,0]=3 2298 B11R0.3 COCCCCCCSCC=O 62a_200015260668_100011998445 [1,0,0,0,0,0|2,0,0]=3 2299 B11R0.3 COCCCCCCSCCO 62a_100000211926_100011998445 [1,0,0,0,0,0|2,0,1]=4 2300 B11R0.3 COCCCCCCSCCO 62a_100011998445_100000211926 [1,0,0,0,0,0|2,0,1]=4 2301 B11R0.3 COCCCCCNCCCO 2230a_100000747528_100000230001 [1,0,0,0,0,0|2,0,1]=4 2302 B11R0.3 COCCCCCNCCCO 34a_100000747528_100000230001 [1,0,0,0,0,0|2,0,1]=4 2303 B11R0.3 COCCCCNCCCCO 2230a_100000750430_100000730899 [1,0,0,0,0,0|2,0,1]=4 2304 B11R0.3 COCCCCNCCCCO 34a_100000750430_100000755781 [1,0,0,0,0,0|2,0,1]=4 2305 B11R0.3 COCCCCOCCCCO 34a_100000740925_100011216708 [1,0,0,0,0,0|2,0,1]=4 2306 B11R0.3 COCCCCSCCCC=O 62a_100000730899_200011292268 [1,0,0,0,0,0|2,0,0]=3 2307 B11R0.3 COCCCCSCCCC=O 62a_200011292268_100000730899 [1,0,0,0,0,0|2,0,0]=3 2308 B11R0.3 COCCCCSCCCCO 62a_100000210776_100000730899 [1,0,0,0,0,0|2,0,1]=4 2309 B11R0.3 COCCCCSCCCCO 62a_100000730899_100000210776 [1,0,0,0,0,0|2,0,1]=4 2310 B11R0.3 COCCCNCCCCCO 2230a_100000762737_100000740836 [1,0,0,0,0,0|2,0,1]=4 2311 B11R0.3 COCCCNCCCCCO 34a_100000762737_100000740836 [1,0,0,0,0,0|2,0,1]=4 2312 B11R0.3 COCCCNCCCCCO 34a_100150723488_100000746330 [1,0,0,0,0,0|2,0,1]=4 2313 B11R0.3 COCCCOCCCCCO 34a_100000740835_100000746330 [1,0,0,0,0,0|2,0,1]=4 2314 B11R0.3 COCCCSCCCCC=O 62a_100000139335_100000709357 [1,0,0,0,0,0|2,0,0]=3 2315 B11R0.3 COCCCSCCCCC=O 62a_100000709357_100000139335 [1,0,0,0,0,0|2,0,0]=3 2316 B11R0.3 COCCCSCCCCCO 62a_100000709357_100000746330 [1,0,0,0,0,0|2,0,1]=4 2317 B11R0.3 COCCCSCCCCCO 62a_100000746330_100000709357 [1,0,0,0,0,0|2,0,1]=4 2318 B11R0.3 COCCNCCCCCC=O 2230a_100000209980_100000139337 [1,0,0,0,0,0|2,0,0]=3 2319 B11R0.3 COCCNCCCCCCO 2230a_100000209980_100000766143 [1,0,0,0,0,0|2,0,1]=4 2320 B11R0.3 COCCNCCCCCCO 2230a_100000686447_100011201679 [1,0,0,0,0,0|2,0,1]=4 2321 B11R0.3 COCCNCCCCCCO 34a_100000686447_100011201679 [1,0,0,0,0,0|2,0,1]=4 2322 B11R0.3 COCCOCCCCCCO 34a_100000210237_100000766143 [1,0,0,0,0,0|2,0,1]=4 2323 B11R0.3 COCCOCCCNCC=O 2230a_100000206027_200015260668 [1,0,0,0,0,0|3,0,0]=4 2324 B11R0.3 COCCOCCCNCC=O 34a_100000206027_200009817547 [1,0,0,0,0,0|3,0,0]=4 2325 B11R0.3 COCCOCCCSCC=O 62a_100011216529_200015260668 [1,0,0,0,0,0|3,0,0]=4 2326 B11R0.3 COCCOCCCSCC=O 62a_200015260668_100011216529 [1,0,0,0,0,0|3,0,0]=4 2327 B11R0.3 COCCOCSCCCC=O 62a_100000231047_200011292268 [1,0,0,0,0,0|3,0,0]=4 2328 B11R0.3 COCCOCSCCCC=O 62a_200011292268_100000231047 [1,0,0,0,0,0|3,0,0]=4 2329 B11R0.3 COCCSCCCCCC=O 62a_100000139337_100000233755 [1,0,0,0,0,0|2,0,0]=3 2330 B11R0.3 COCCSCCCCCC=O 62a_100000233755_100000139337 [1,0,0,0,0,0|2,0,0]=3 2331 B11R0.3 COCCSCCCCCCO 62a_100000233755_100000766143 [1,0,0,0,0,0|2,0,1]=4 2332 B11R0.3 COCCSCCCCCCO 62a_100000766143_100000233755 [1,0,0,0,0,0|2,0,1]=4 2333 B11R0.3 COCNCCCCCCCO 2230a_100011996573_100000766300 [1,0,0,0,0,0|2,0,1]=4 2334 B11R0.3 COCSCCCCCCCO 62a_100000760002_100000766300 [1,0,0,0,0,0|2,0,1]=4 2335 B11R0.3 COCSCCCCCCCO 62a_100000766300_100000760002 [1,0,0,0,0,0|2,0,1]=4 2336 B11R0.3 CSCCCCCCCCCO 62a_100009813782_200000210301 [1,0,0,0,0,0|1,0,1]=3 2337 B11R0.3 CSCCCCCCCCCO 62a_200000210301_100009813782 [1,0,0,0,0,0|1,0,1]=3 2338 B11R0.3 CSCCCCOCCCC=O 7a_100011217163_200011292268 [1,0,0,0,0,0|2,0,0]=3 2339 B11R0.3 CSCCCCOCCCCO 34a_100011217163_100011216708 [1,0,0,0,0,0|2,0,1]=4 2340 B11R0.3 CSCCCCOCCCCO 7a_100011217163_100000210776 [1,0,0,0,0,0|2,0,1]=4 2341 B11R0.3 CSCCCNCCCCC=O 2230a_100000749238_100000139335 [1,0,0,0,0,0|2,0,0]=3 2342 B11R0.3 CSCCCNCCCCCO 2230a_100000749238_100000746330 [1,0,0,0,0,0|2,0,1]=4 2343 B11R0.3 CSCCCOCCCCC=O 7a_100000690336_100000139335 [1,0,0,0,0,0|2,0,0]=3 2344 B11R0.3 CSCCCOCCCCCO 34a_100000690336_100000746330 [1,0,0,0,0,0|2,0,1]=4 2345 B11R0.3 CSCCCOCCCCCO 7a_100000690336_100000746330 [1,0,0,0,0,0|2,0,1]=4 2346 B11R0.3 CSCCNCCCCCC=O 2230a_100020590264_100000139337 [1,0,0,0,0,0|2,0,0]=3 2347 B11R0.3 CSCCNCCCCCCO 2230a_100000686447_100000751147 [1,0,0,0,0,0|2,0,1]=4 2348 B11R0.3 CSCCNCCCCCCO 2230a_100020590264_100000766143 [1,0,0,0,0,0|2,0,1]=4 2349 B11R0.3 CSCCNCCCCCCO 34a_100000686447_100000212216 [1,0,0,0,0,0|2,0,1]=4 2350 B11R0.3 CSCCOCCCCCC=O 7a_100000230434_100000139337 [1,0,0,0,0,0|2,0,0]=3 2351 B11R0.3 CSCCOCCCCCCO 34a_100000230434_100000766143 [1,0,0,0,0,0|2,0,1]=4 2352 B11R0.3 CSCCOCCCCCCO 7a_100000230434_100000766143 [1,0,0,0,0,0|2,0,1]=4 2353 B11R0.3 CSCCSCCCCCC=O 62a_100000139337_100000751147 [1,0,0,0,0,0|2,0,0]=3 2354 B11R0.3 CSCCSCCCCCC=O 62a_100000212216_100000139337 [1,0,0,0,0,0|2,0,0]=3 2355 B11R0.3 CSCCSCCCCCCO 62a_100000212216_100000766143 [1,0,0,0,0,0|2,0,1]=4 2356 B11R0.3 CSCCSCCCCCCO 62a_100000766143_100000751147 [1,0,0,0,0,0|2,0,1]=4 2357 B11R0.3 CSCNCCCCCCCO 2230a_100011996573_100011218213 [1,0,0,0,0,0|2,0,1]=4 2358 B11R0.3 CSCNCCCCCCCO 34a_100011996573_100011218213 [1,0,0,0,0,0|2,0,1]=4 2359 B11R0.3 CSCSCCCCCCCO 62a_100000760002_100011218213 [1,0,0,0,0,0|2,0,1]=4 2360 B11R0.3 CSCSCCCCCCCO 62a_100011218213_100000760002 [1,0,0,0,0,0|2,0,1]=4 2361 B11R0.3 N#CCCCCCCSCC=O 62a_100009813337_200015260668 [1,0,0,0,0,0|2,0,1]=4 2362 B11R0.3 N#CCCCCCCSCC=O 62a_200015260668_100009813337 [1,0,0,0,0,0|2,0,1]=4 2363 B11R0.3 N#CCCCCSCCCC=O 62a_100011219923_200011292268 [1,0,0,0,0,0|2,0,1]=4 2364 B11R0.3 N#CCCCCSCCCC=O 62a_200011292268_100000211819 [1,0,0,0,0,0|2,0,1]=4 2365 B11R0.3 N#CCCCSCCCCC=O 62a_100000139335_100000687738 [1,0,0,0,0,0|2,0,1]=4 2366 B11R0.3 N#CCCCSCCCCC=O 62a_100000687738_100000139335 [1,0,0,0,0,0|2,0,1]=4 2367 B11R0.3 N#CCCSCCCCCC=O 62a_100000139337_100011215226 [1,0,0,0,0,0|2,0,1]=4 2368 B11R0.3 N#CCCSCCCCCC=O 62a_100011215226_100000139337 [1,0,0,0,0,0|2,0,1]=4 2369 B11R0.3 NCCCCCCCOCC=O 34a_100011996573_200009817547 [1,0,0,0,0,0|2,0,0]=3 2370 B11R0.3 NCCCCCCCOCCO 34a_100011996573_100000211926 [1,0,0,0,0,0|2,0,1]=4 2371 B11R0.3 NCCCCCCOCCCO 34a_100000686447_100000230001 [1,0,0,0,0,0|2,0,1]=4 2372 B11R0.3 NCCCCCOCCCCO 34a_100000762737_100011216708 [1,0,0,0,0,0|2,0,1]=4 2373 B11R0.3 NCCCCOCCCCCO 34a_100000750430_100000746330 [1,0,0,0,0,0|2,0,1]=4 2374 B11R0.3 NCCCOCCCCCCO 34a_100000182051_100000766143 [1,0,0,0,0,0|2,0,1]=4 2375 B11R0.3 NCCCOCCCOCC=O 34a_100011310245_200009817547 [1,0,0,0,0,0|3,0,0]=4 2376 B11R0.3 NCCOCCCCCCCO 34a_100000210304_100000760002 [1,0,0,0,0,0|2,0,1]=4 2377 B11R0.3 O=CCCCCCNCCCF 2230a_100015189416_100000139337 [1,0,0,0,0,0|2,0,0]=3 2378 B11R0.3 O=CCCCCCSCCCF 62a_100000139337_100011934791 [1,0,0,0,0,0|2,0,0]=3 2379 B11R0.3 O=CCCCCCSCCCF 62a_100011934791_100000139337 [1,0,0,0,0,0|2,0,0]=3 2380 B11R0.3 O=CCCCCCSCCCO 62a_100000139337_100011215043 [1,0,0,0,0,0|2,0,0]=3 2381 B11R0.3 O=CCCCCCSCCCO 62a_100011215043_100000139337 [1,0,0,0,0,0|2,0,0]=3 2382 B11R0.3 O=CCCCCNCCCCO 2230a_100000750430_100000139335 [1,0,0,0,0,0|2,0,0]=3 2383 B11R0.3 O=CCCCCOCCCCCl 7a_100000210776_100000139335 [1,0,0,0,0,0|2,0,0]=3 2384 B11R0.3 O=CCCCCOCCCCF 7a_100011995726_100000139335 [1,0,0,0,0,0|2,0,0]=3 2385 B11R0.3 O=CCCCCSCCCC=O 62a_100000139335_200011292268 [1,0,0,0,0,0|2,0,1]=4 2386 B11R0.3 O=CCCCCSCCCC=O 62a_200011292268_100000139335 [1,0,0,0,0,0|2,0,1]=4 2387 B11R0.3 O=CCCCCSCCCCF 62a_100000139335_100000729493 [1,0,0,0,0,0|2,0,0]=3 2388 B11R0.3 O=CCCCCSCCCCF 62a_100000729493_100000139335 [1,0,0,0,0,0|2,0,0]=3 2389 B11R0.3 O=CCCCCSCCCCO 62a_100000139335_100000210776 [1,0,0,0,0,0|2,0,0]=3 2390 B11R0.3 O=CCCCCSCCCCO 62a_100000210776_100000139335 [1,0,0,0,0,0|2,0,0]=3 2391 B11R0.3 O=CCCCNCCCCCO 2230a_100000762737_200011292268 [1,0,0,0,0,0|2,0,0]=3 2392 B11R0.3 O=CCCCNCCOCCO 2230a_100000211614_200011292268 [1,0,0,0,0,0|3,0,0]=4 2393 B11R0.3 O=CCCCNCCSCCO 2230a_100011219999_200011292268 [1,0,0,0,0,0|3,0,0]=4 2394 B11R0.3 O=CCCCOCCCCCBr 7a_100000746331_200011292268 [1,0,0,0,0,0|2,0,0]=3 2395 B11R0.3 O=CCCCOCCCCCCl 7a_100000746330_200011292268 [1,0,0,0,0,0|2,0,0]=3 2396 B11R0.3 O=CCCCOCCCCCI 7a_200012148887_200011292268 [1,0,0,0,0,0|2,0,0]=3 2397 B11R0.3 O=CCCCOCCOCCBr 7a_100000692535_200011292268 [1,0,0,0,0,0|3,0,0]=4 2398 B11R0.3 O=CCCCOCCOCCCl 7a_100011215305_200011292268 [1,0,0,0,0,0|3,0,0]=4 2399 B11R0.3 O=CCCCOCCOCCF 7a_200015357709_200011292268 [1,0,0,0,0,0|3,0,0]=4 2400 B11R0.3 O=CCCCOCCOCCI 7a_100012149058_200011292268 [1,0,0,0,0,0|3,0,0]=4 2401 B11R0.3 O=CCCCSCCCCCF 62a_100000729378_200011292268 [1,0,0,0,0,0|2,0,0]=3 2402 B11R0.3 O=CCCCSCCCCCF 62a_200011292268_100000729378 [1,0,0,0,0,0|2,0,0]=3 2403 B11R0.3 O=CCCCSCCCCCO 62a_100000746330_200011292268 [1,0,0,0,0,0|2,0,0]=3 2404 B11R0.3 O=CCCCSCCCCCO 62a_200011292268_100000746330 [1,0,0,0,0,0|2,0,0]=3 2405 B11R0.3 O=CCCCSCCOCCO 62a_100011215305_200011292268 [1,0,0,0,0,0|3,0,0]=4 2406 B11R0.3 O=CCCCSCCOCCO 62a_200011292268_100011215305 [1,0,0,0,0,0|3,0,0]=4 2407 B11R0.3 O=CCNCCCCCCCO 2230a_100011996573_200015260668 [1,0,0,0,0,0|2,0,0]=3 2408 B11R0.3 O=CCNCCCCCCCO 34a_100011996573_200009817547 [1,0,0,0,0,0|2,0,0]=3 2409 B11R0.3 O=CCNCCCOCCCO 2230a_100011310245_200015260668 [1,0,0,0,0,0|3,0,0]=4 2410 B11R0.3 O=CCNCCCOCCCO 34a_100011310245_200009817547 [1,0,0,0,0,0|3,0,0]=4 2411 B11R0.3 O=CCOCCCCCCCBr 34a_100000760002_200009817547 [1,0,0,0,0,0|2,0,0]=3 2412 B11R0.3 O=CCOCCCCCCCBr 7a_100000760002_200015260668 [1,0,0,0,0,0|2,0,0]=3 2413 B11R0.3 O=CCSCCCCCCCO 62a_100000760002_200015260668 [1,0,0,0,0,0|2,0,0]=3 2414 B11R0.3 O=CCSCCCCCCCO 62a_200015260668_100000760002 [1,0,0,0,0,0|2,0,0]=3 2415 B11R0.3 OCCCCCCCCNCF 34a_102515433106_100015361967 [1,0,0,0,0,0|2,0,1]=4 2416 B11R0.3 OCCCCCCCCSCF 62a_100000033203_100015361967 [1,0,0,0,0,0|2,0,1]=4 2417 B11R0.3 OCCCCCCCCSCF 62a_100015361967_100000033203 [1,0,0,0,0,0|2,0,1]=4 2418 B11R0.3 OCCCCCCCNCCF 2230a_100011996573_100011217306 [1,0,0,0,0,0|2,0,1]=4 2419 B11R0.3 OCCCCCCCNCCF 34a_100000724931_100000760002 [1,0,0,0,0,0|2,0,1]=4 2420 B11R0.3 OCCCCCCCNCCF 34a_100011996573_100011217306 [1,0,0,0,0,0|2,0,1]=4 2421 B11R0.3 OCCCCCCCNCCO 2230a_100011996573_100000211926 [1,0,0,0,0,0|2,0,1]=4 2422 B11R0.3 OCCCCCCCNCCO 2230a_100016997473_100000760002 [1,0,0,0,0,0|2,0,1]=4 2423 B11R0.3 OCCCCCCCNCCO 34a_100011996573_100000211926 [1,0,0,0,0,0|2,0,1]=4 2424 B11R0.3 OCCCCCCCNCCO 34a_100016990907_100000760002 [1,0,0,0,0,0|2,0,1]=4 2425 B11R0.3 OCCCCCCCOCCBr 34a_100000211926_100000760002 [1,0,0,0,0,0|2,0,1]=4 2426 B11R0.3 OCCCCCCCSCCF 62a_100000760002_100011217306 [1,0,0,0,0,0|2,0,1]=4 2427 B11R0.3 OCCCCCCCSCCF 62a_100011217306_100000760002 [1,0,0,0,0,0|2,0,1]=4 2428 B11R0.3 OCCCCCCCSCCO 62a_100000211926_100000760002 [1,0,0,0,0,0|2,0,1]=4 2429 B11R0.3 OCCCCCCCSCCO 62a_100000760002_100000211926 [1,0,0,0,0,0|2,0,1]=4 2430 B11R0.3 OCCCCCCNCCCF 2230a_100000686447_100011934791 [1,0,0,0,0,0|2,0,1]=4 2431 B11R0.3 OCCCCCCNCCCF 2230a_100015189416_100000766143 [1,0,0,0,0,0|2,0,1]=4 2432 B11R0.3 OCCCCCCNCCCF 34a_100000686447_100011934791 [1,0,0,0,0,0|2,0,1]=4 2433 B11R0.3 OCCCCCCNCCCF 34a_100015189416_100000766143 [1,0,0,0,0,0|2,0,1]=4 2434 B11R0.3 OCCCCCCNCCCO 2230a_100000686447_100000230001 [1,0,0,0,0,0|2,0,1]=4 2435 B11R0.3 OCCCCCCNCCCO 34a_100000686447_100000230001 [1,0,0,0,0,0|2,0,1]=4 2436 B11R0.3 OCCCCCCOCCCBr 34a_100011217188_100000766143 [1,0,0,0,0,0|2,0,1]=4 2437 B11R0.3 OCCCCCCOCCCCl 34a_100000230001_100000766143 [1,0,0,0,0,0|2,0,1]=4 2438 B11R0.3 OCCCCCCOCCCF 34a_100000759539_100000766143 [1,0,0,0,0,0|2,0,1]=4 2439 B11R0.3 OCCCCCCSCCCF 62a_100000766143_100011934791 [1,0,0,0,0,0|2,0,1]=4 2440 B11R0.3 OCCCCCCSCCCF 62a_100011934791_100000766143 [1,0,0,0,0,0|2,0,1]=4 2441 B11R0.3 OCCCCCCSCCCO 62a_100000766143_100011215043 [1,0,0,0,0,0|2,0,1]=4 2442 B11R0.3 OCCCCCCSCCCO 62a_100011215043_100000766143 [1,0,0,0,0,0|2,0,1]=4 2443 B11R0.3 OCCCCCNCCCCF 2230a_100000762737_100000729493 [1,0,0,0,0,0|2,0,1]=4 2444 B11R0.3 OCCCCCNCCCCF 34a_100000762737_100000729493 [1,0,0,0,0,0|2,0,1]=4 2445 B11R0.3 OCCCCCNCCCCO 2230a_100000750430_100000746330 [1,0,0,0,0,0|2,0,1]=4 2446 B11R0.3 OCCCCCNCCCCO 2230a_100000762737_100000210776 [1,0,0,0,0,0|2,0,1]=4 2447 B11R0.3 OCCCCCNCCCCO 34a_100000750430_100000746330 [1,0,0,0,0,0|2,0,1]=4 2448 B11R0.3 OCCCCCNCCCCO 34a_100000762737_100011216708 [1,0,0,0,0,0|2,0,1]=4 2449 B11R0.3 OCCCCCOCCCCBr 34a_100011216708_100000746330 [1,0,0,0,0,0|2,0,1]=4 2450 B11R0.3 OCCCCCOCCCCCl 34a_100000210776_100000746330 [1,0,0,0,0,0|2,0,1]=4 2451 B11R0.3 OCCCCCOCCCCCl 7a_100000210776_100000746330 [1,0,0,0,0,0|2,0,1]=4 2452 B11R0.3 OCCCCCOCCCCF 34a_100011995726_100000746330 [1,0,0,0,0,0|2,0,1]=4 2453 B11R0.3 OCCCCCOCCCCF 7a_100011995726_100000746330 [1,0,0,0,0,0|2,0,1]=4 2454 B11R0.3 OCCCCCOCCCCI 34a_200012148704_100000746330 [1,0,0,0,0,0|2,0,1]=4 2455 B11R0.3 OCCCCCSCCCCF 62a_100000729493_100000746330 [1,0,0,0,0,0|2,0,1]=4 2456 B11R0.3 OCCCCCSCCCCF 62a_100000746330_100000729493 [1,0,0,0,0,0|2,0,1]=4 2457 B11R0.3 OCCCCCSCCCCO 62a_100000210776_100000746330 [1,0,0,0,0,0|2,0,1]=4 2458 B11R0.3 OCCCCCSCCCCO 62a_100000746330_100000210776 [1,0,0,0,0,0|2,0,1]=4 2459 B11R0.3 OCCCCNCCCCCF 2230a_100000750430_100000729378 [1,0,0,0,0,0|2,0,1]=4 2460 B11R0.3 OCCCCNCCCCCF 34a_100000750430_100000729378 [1,0,0,0,0,0|2,0,1]=4 2461 B11R0.3 OCCCCOCCCCCBr 34a_100000746331_100011216708 [1,0,0,0,0,0|2,0,1]=4 2462 B11R0.3 OCCCCOCCCCCBr 7a_100000746331_100000210776 [1,0,0,0,0,0|2,0,1]=4 2463 B11R0.3 OCCCCOCCCCCCl 34a_100000746330_100011216708 [1,0,0,0,0,0|2,0,1]=4 2464 B11R0.3 OCCCCOCCCCCCl 7a_100000746330_100000210776 [1,0,0,0,0,0|2,0,1]=4 2465 B11R0.3 OCCCCOCCCCCI 34a_200012148887_100011216708 [1,0,0,0,0,0|2,0,1]=4 2466 B11R0.3 OCCCCOCCCCCI 7a_200012148887_100000210776 [1,0,0,0,0,0|2,0,1]=4 2467 B11R0.3 OCCCCSCCCCCF 62a_100000210776_100000729378 [1,0,0,0,0,0|2,0,1]=4 2468 B11R0.3 OCCCCSCCCCCF 62a_100000729378_100000210776 [1,0,0,0,0,0|2,0,1]=4 2469 B11R0.3 OCCCOCCCCCCBr 34a_100011215345_100000230001 [1,0,0,0,0,0|2,0,1]=4 2470 B11R0.3 OCCCOCCCCCCBr 7a_100011215345_100011215043 [1,0,0,0,0,0|2,0,1]=4 2471 B11R0.3 OCCCOCCCCCCCl 34a_100000766143_100000230001 [1,0,0,0,0,0|2,0,1]=4 2472 B11R0.3 OCCCOCCCCCCCl 7a_100000766143_100011215043 [1,0,0,0,0,0|2,0,1]=4 2473 B11R0.3 OCCCOCCCCCCF 34a_100000732779_100000230001 [1,0,0,0,0,0|2,0,1]=4 2474 B11R0.3 OCCCOCCCCCCF 7a_100000732779_100011215043 [1,0,0,0,0,0|2,0,1]=4 2475 B11R0.3 OCCCSCCCCCCF 62a_100011215043_100015922095 [1,0,0,0,0,0|2,0,1]=4 2476 B11R0.3 OCCCSCCCCCCF 62a_100015922095_100011215043 [1,0,0,0,0,0|2,0,1]=4 2477 B11R0.3 OCCOCCCCCCCBr 34a_100000760002_100000211926 [1,0,0,0,0,0|2,0,1]=4 2478 B11R0.3 OCCOCCCCCCCBr 7a_100000760002_100000211926 [1,0,0,0,0,0|2,0,1]=4 2479 B11R0.3 [13CH3]NCCCCCCCCCO 2230a_100000078944_200025704644 [1,0,0,0,0,0|1,0,1]=3 2480 B11R0.3 [13CH3]NCCCCCCCCCO 34a_100000078944_200025704644 [1,0,0,0,0,0|1,0,1]=3 2481 B11R0.3 [13CH3]OCCCCCCCCCBr 34a_100009813782_200025704644 [1,0,0,0,0,0|2,0,1]=4 2482 B11R0.3 [13CH3]OCCCCCCCCCBr 7a_100009813782_200025704644 [1,0,0,0,0,0|2,0,1]=4 2483 B11R0.3 [13CH3]OCCCCCCCCCCl 34a_100009868337_200025704644 [1,0,0,0,0,0|2,0,1]=4 2484 B11R0.3 [13CH3]OCCCCCCCCCCl 7a_100009868337_200025704644 [1,0,0,0,0,0|2,0,1]=4 2485 B11R0.3 [13CH3]OCCCCCCCCCN 34a_100000078944_200025704644 [1,0,0,0,0,0|2,0,1]=4 2486 B11R0.3 [13CH3]SCCCCCCCCCO 62a_100009813782_200025704644 [1,0,0,0,0,0|1,0,1]=3 2487 B11R0.3 [13CH3]SCCCCCCCCCO 62a_200025704644_100009813782 [1,0,0,0,0,0|1,0,1]=3 2488 B11R0.148 C#CCCCCCCCC(=O)C 1458a_100000070787_100153394163 [1,0,0,0,0,0|1,0,2]=4 2489 B11R0.148 C#CCCCCCCCC(=O)C 1458a_100000087357_200000210301 [1,0,0,0,0,0|1,0,2]=4 2490 B11R0.148 C#CCCCCCCCC(=O)[13CH3] 1458a_100000087357_200025704644 [1,0,0,0,0,0|1,0,2]=4 2491 B11R0.148 C#CCCCCCNCC(=O)O 269956a_100016091260_100012094781 [1,0,0,0,0,0|1,0,2]=4 2492 B11R0.148 C=C(Br)CCOCCCCCC 34a_100009813270_100000210314 [1,0,0,0,0,0|3,0,0]=4 2493 B11R0.148 C=C(C)CCNCCCCCC 2230a_100000210581_100000730704 [1,0,0,0,0,0|3,0,0]=4 2494 B11R0.148 C=C(C)CCOCCCCCC 34a_100000210259_100000730704 [1,0,0,0,0,0|3,0,0]=4 2495 B11R0.148 C=C(C)CCOCCCCCC 34a_100000764851_100000210314 [1,0,0,0,0,0|3,0,0]=4 2496 B11R0.148 C=C(C)CCOCCCCCC 7a_100000210259_100000730704 [1,0,0,0,0,0|3,0,0]=4 2497 B11R0.148 C=C(C)CCSCCCCCC 62a_100000210314_100000730704 [1,0,0,0,0,0|3,0,0]=4 2498 B11R0.148 C=C(C)CCSCCCCCC 62a_100000730704_100000210757 [1,0,0,0,0,0|3,0,0]=4 2499 B11R0.148 C=C(C)CNCCCCCCC 2230a_100000229938_100000748629 [1,0,0,0,0,0|3,0,0]=4 2500 B11R0.148 C=C(C)COCCCCCCC 34a_100000210245_100000210614 [1,0,0,0,0,0|3,0,0]=4 2501 B11R0.148 C=C(C)COCCCCCCC 34a_100000210272_100000748629 [1,0,0,0,0,0|3,0,0]=4 2502 B11R0.148 C=C(C)COCCCCCCC 7a_100000210272_100000748629 [1,0,0,0,0,0|3,0,0]=4 2503 B11R0.148 C=C(C)CSCCCCCCC 62a_100000210614_100000211660 [1,0,0,0,0,0|3,0,0]=4 2504 B11R0.148 C=C(C)CSCCCCCCC 62a_100000748629_100000210316 [1,0,0,0,0,0|3,0,0]=4 2505 B11R0.148 C=C(F)CNCCCCCCC 2230a_100000229938_100009893438 [1,0,0,0,0,0|3,0,0]=4 2506 B11R0.148 C=C(F)COCCCCCCC 34a_100000210272_100009893438 [1,0,0,0,0,0|3,0,0]=4 2507 B11R0.148 C=C(F)COCCCCCCC 34a_200010262243_100000210614 [1,0,0,0,0,0|3,0,0]=4 2508 B11R0.148 C=C(F)COCCCCCCC 7a_100000210272_100000042424 [1,0,0,0,0,0|3,0,0]=4 2509 B11R0.148 C=C(F)CSCCCCCCC 62a_100000042424_100000210316 [1,0,0,0,0,0|3,0,0]=4 2510 B11R0.148 C=C(F)CSCCCCCCC 62a_100000210614_100000042424 [1,0,0,0,0,0|3,0,0]=4 2511 B11R0.148 C=CCCCCCCCC(=O)C 1458a_100000070787_100012355270 [1,0,0,0,0,0|1,0,2]=4 2512 B11R0.148 C=CCCCCCCCC(=O)C 1458a_100011216160_200000210301 [1,0,0,0,0,0|1,0,2]=4 2513 B11R0.148 C=CCCCCCCCC(=O)[13CH3] 1458a_100011216160_200025704644 [1,0,0,0,0,0|1,0,2]=4 2514 B11R0.148 C=CCCCCCNCC(=O)O 269956a_100016091260_100000700193 [1,0,0,0,0,0|1,0,2]=4 2515 B11R0.148 CC(=O)CCCCCCCCO 1458a_100000070787_100000033203 [1,0,0,0,0,0|2,0,0]=3 2516 B11R0.148 CC(=O)CCCCNCCCF 34a_100015189416_100009817362 [1,0,0,0,0,0|3,0,0]=4 2517 B11R0.148 CC(=O)CCCCOCCCBr 34a_100011217188_100009817362 [1,0,0,0,0,0|3,0,0]=4 2518 B11R0.148 CC(=O)CCCCOCCCCl 34a_100000230001_100009817362 [1,0,0,0,0,0|3,0,0]=4 2519 B11R0.148 CC(=O)CCCCOCCCF 34a_100000759539_100009817362 [1,0,0,0,0,0|3,0,0]=4 2520 B11R0.148 CC(=O)CCCCOCCCN 34a_100000182051_100009817362 [1,0,0,0,0,0|3,0,0]=4 2521 B11R0.148 CC(=O)CCCCSCCCF 62a_100000735457_100011934791 [1,0,0,0,0,0|3,0,0]=4 2522 B11R0.148 CC(=O)CCCCSCCCF 62a_100011934791_100000735457 [1,0,0,0,0,0|3,0,0]=4 2523 B11R0.148 CC(=O)CCCCSCCCO 62a_100000735457_100011215043 [1,0,0,0,0,0|3,0,0]=4 2524 B11R0.148 CC(=O)CCCCSCCCO 62a_100011215043_100000735457 [1,0,0,0,0,0|3,0,0]=4 2525 B11R0.148 CC(=O)CCCNCCCCO 34a_100000750430_100000685027 [1,0,0,0,0,0|3,0,0]=4 2526 B11R0.148 CC(=O)CCCOCCCCBr 34a_100011216708_100000685027 [1,0,0,0,0,0|3,0,0]=4 2527 B11R0.148 CC(=O)CCCOCCCCCl 34a_100000210776_100000685027 [1,0,0,0,0,0|3,0,0]=4 2528 B11R0.148 CC(=O)CCCOCCCCCl 7a_100000210776_100011215641 [1,0,0,0,0,0|3,0,0]=4 2529 B11R0.148 CC(=O)CCCOCCCCF 34a_100000759063_100000729493 [1,0,0,0,0,0|3,0,0]=4 2530 B11R0.148 CC(=O)CCCOCCCCF 34a_100011995726_100000685027 [1,0,0,0,0,0|3,0,0]=4 2531 B11R0.148 CC(=O)CCCOCCCCF 7a_100000759063_100000729493 [1,0,0,0,0,0|3,0,0]=4 2532 B11R0.148 CC(=O)CCCOCCCCF 7a_100011995726_100011215641 [1,0,0,0,0,0|3,0,0]=4 2533 B11R0.148 CC(=O)CCCOCCCCI 34a_200012148704_100000685027 [1,0,0,0,0,0|3,0,0]=4 2534 B11R0.148 CC(=O)CCCOCCCCN 34a_100000750430_100000685027 [1,0,0,0,0,0|3,0,0]=4 2535 B11R0.148 CC(=O)CCCOCCCCO 34a_100000759063_100011216708 [1,0,0,0,0,0|3,0,0]=4 2536 B11R0.148 CC(=O)CCCOCCCCO 7a_100000759063_100000210776 [1,0,0,0,0,0|3,0,0]=4 2537 B11R0.148 CC(=O)CCCSCCCCF 62a_100000729493_100011215641 [1,0,0,0,0,0|3,0,0]=4 2538 B11R0.148 CC(=O)CCCSCCCCF 62a_100011215641_100000729493 [1,0,0,0,0,0|3,0,0]=4 2539 B11R0.148 CC(=O)CCCSCCCCO 62a_100000210776_100011215641 [1,0,0,0,0,0|3,0,0]=4 2540 B11R0.148 CC(=O)CCCSCCCCO 62a_100011215641_100000210776 [1,0,0,0,0,0|3,0,0]=4 2541 B11R0.148 CC(=O)CCOCCCCCBr 7a_100000746331_100000053229 [1,0,0,0,0,0|3,0,0]=4 2542 B11R0.148 CC(=O)CCOCCCCCCl 7a_100000746330_100000053229 [1,0,0,0,0,0|3,0,0]=4 2543 B11R0.148 CC(=O)CCOCCCCCF 34a_100000759926_100000729378 [1,0,0,0,0,0|3,0,0]=4 2544 B11R0.148 CC(=O)CCOCCCCCF 7a_100000759926_100000729378 [1,0,0,0,0,0|3,0,0]=4 2545 B11R0.148 CC(=O)CCOCCCCCI 7a_200012148887_100000053229 [1,0,0,0,0,0|3,0,0]=4 2546 B11R0.148 CC(=O)CCOCCCCCO 34a_100000759926_100000746330 [1,0,0,0,0,0|3,0,0]=4 2547 B11R0.148 CC(=O)CCOCCCCCO 7a_100000759926_100000746330 [1,0,0,0,0,0|3,0,0]=4 2548 B11R0.148 CC(=O)CCSCCCCCF 62a_100000053229_100000729378 [1,0,0,0,0,0|3,0,0]=4 2549 B11R0.148 CC(=O)CCSCCCCCF 62a_100000729378_100000053229 [1,0,0,0,0,0|3,0,0]=4 2550 B11R0.148 CC(=O)CCSCCCCCO 62a_100000053229_100000746330 [1,0,0,0,0,0|3,0,0]=4 2551 B11R0.148 CC(=O)CCSCCCCCO 62a_100000746330_100000053229 [1,0,0,0,0,0|3,0,0]=4 2552 B11R0.148 CC(=O)COCCCCCCF 34a_100000211253_100015922095 [1,0,0,0,0,0|3,0,0]=4 2553 B11R0.148 CC(=O)COCCCCCCO 34a_100000211253_100000766143 [1,0,0,0,0,0|3,0,0]=4 2554 B11R0.148 CC(=O)NCCCCCCCO 240690a_100011996573_100015343762 [1,0,0,0,0,0|3,0,0]=4 2555 B11R0.148 CC(=O)NCCCCCCN[13CH3] 2230a_200011996284_200025704644 [1,0,0,0,0,0|3,0,0]=4 2556 B11R0.148 CC(=O)NCCCCCCN[13CH3] 34a_200011996284_200025704644 [1,0,0,0,0,0|3,0,0]=4 2557 B11R0.148 CCCCC#CCCCC(=O)C 1458a_100000070787_200000047210 [1,0,0,0,0,0|1,0,2]=4 2558 B11R0.148 CCCCC/C=C/CCC(=O)C 1458a_200015255902_200000210301 [1,0,0,0,0,0|1,0,2]=4 2559 B11R0.148 CCCCC/C=C/CCC(=O)[13CH3] 1458a_200015255902_200025704644 [1,0,0,0,0,0|1,0,2]=4 2560 B11R0.148 CCCCCC/C=C/CC(=O)C 1458a_100020681715_200000210301 [1,0,0,0,0,0|1,0,2]=4 2561 B11R0.148 CCCCCC/C=C/CC(=O)[13CH3] 1458a_100020681715_200025704644 [1,0,0,0,0,0|1,0,2]=4 2562 B11R0.148 CCCCCCCC=CC(=O)C 1458a_200015332781_200000210301 [1,0,0,0,0,0|1,0,2]=4 2563 B11R0.148 CCCCCCCC=CC(=O)[13CH3] 1458a_200015332781_200025704644 [1,0,0,0,0,0|1,0,2]=4 2564 B11R0.148 CCCCCCCCCC(=O)C 1458a_100000070787_100000210670 [1,0,0,0,0,0|1,0,0]=2 2565 B11R0.148 CCCCCCCCCC(=O)C 1458a_100000210558_200000210301 [1,0,0,0,0,0|1,0,0]=2 2566 B11R0.148 CCCCCCCCCC(=O)[13CH3] 1458a_100000210558_200025704644 [1,0,0,0,0,0|1,0,0]=2 2567 B11R0.148 CCCCCCCCCN(C)C 2230a_100000232482_200000210301 [1,0,0,0,0,0|3,0,0]=4 2568 B11R0.148 CCCCCCCCCN(C)C 2230a_100102631434_100011214924 [1,0,0,0,0,0|3,0,0]=4 2569 B11R0.148 CCCCCCCCCN(C)C 269982a_100000232482_200000210301 [1,0,0,0,0,0|3,0,0]=4 2570 B11R0.148 CCCCCCCCCN(C)C 269982a_100102631434_100000210670 [1,0,0,0,0,0|3,0,0]=4 2571 B11R0.148 CCCCCCCCCN(C)[13CH3] 2230a_100000232482_200025704644 [1,0,0,0,0,0|3,0,0]=4 2572 B11R0.148 CCCCCCCCCN(C)[13CH3] 269982a_100000232482_200025704644 [1,0,0,0,0,0|3,0,0]=4 2573 B11R0.148 CCCCCCCCNC(=O)C 11a_100000229939_100015343762 [1,0,0,0,0,0|2,0,0]=3 2574 B11R0.148 CCCCCCCCNC(=O)C 1626a_100000229939_100015343762 [1,0,0,0,0,0|2,0,0]=3 2575 B11R0.148 CCCCCCCCNC(=O)C 240690a_100000229939_100015343762 [1,0,0,0,0,0|2,0,0]=3 2576 B11R0.148 CCCCCCCCNC(=O)C 527a_100000229939_100103153847 [1,0,0,0,0,0|2,0,0]=3 2577 B11R0.148 CCCCCCCNCC(=O)N 2230a_100000229938_100000747473 [1,0,0,0,0,0|2,0,0]=3 2578 B11R0.148 CCCCCCCNCC(=O)N 2230a_100000711301_100000210681 [1,0,0,0,0,0|2,0,0]=3 2579 B11R0.148 CCCCCCCNCC(=O)O 269956a_100016091260_100000210614 [1,0,0,0,0,0|1,0,0]=2 2580 B11R0.148 CCCCCCCNCC(C)O 2230a_100000210904_100000210681 [1,0,0,0,0,0|2,0,1]=4 2581 B11R0.148 CCCCCCCNCC(C)O 2230a_100000229938_100011218427 [1,0,0,0,0,0|2,0,1]=4 2582 B11R0.148 CCCCCCCNCC(C)O 34a_100000210904_100000210614 [1,0,0,0,0,0|2,0,1]=4 2583 B11R0.148 CCCCCCCNC[C@@H](C)O 2230a_100000229938_100009817552 [1,0,0,0,0,0|2,0,1]=4 2584 B11R0.148 CCCCCCCOCC(=O)C 34a_100000211253_100000210614 [1,0,0,0,0,0|2,0,0]=3 2585 B11R0.148 CCCCCCCOCC(=O)N 34a_100000210272_100000187820 [1,0,0,0,0,0|2,0,0]=3 2586 B11R0.148 CCCCCCCOCC(=O)N 7a_100000210272_100000187820 [1,0,0,0,0,0|2,0,0]=3 2587 B11R0.148 CCCCCCCOCC(=O)[O-] 34a_100000210272_100020667443 [1,0,0,0,0,0|1,0,1]=3 2588 B11R0.148 CCCCCCCOCC(C)O 34a_100000210272_100011218427 [1,0,0,0,0,0|2,0,1]=4 2589 B11R0.148 CCCCCCCOCC(C)O 7a_100000210272_100011218427 [1,0,0,0,0,0|2,0,1]=4 2590 B11R0.148 CCCCCCCOC[C@@H](C)O 34a_100000210272_100009817552 [1,0,0,0,0,0|2,0,1]=4 2591 B11R0.148 CCCCCCCOC[C@@H](C)O 7a_100000210272_100009817552 [1,0,0,0,0,0|2,0,1]=4 2592 B11R0.148 CCCCCCCOC[N+](=O)[O-] 34a_100000210272_100000761209 [1,0,0,0,0,0|2,0,1]=4 2593 B11R0.148 CCCCCCCSCC(=O)N 62a_100000210614_100000747473 [1,0,0,0,0,0|2,0,0]=3 2594 B11R0.148 CCCCCCCSCC(=O)N 62a_100000747473_100000210316 [1,0,0,0,0,0|2,0,0]=3 2595 B11R0.148 CCCCCCCSCC(=O)[O-] 62a_100000210614_100020667443 [1,0,0,0,0,0|1,0,1]=3 2596 B11R0.148 CCCCCCCSCC(=O)[O-] 62a_100020667443_100000210316 [1,0,0,0,0,0|1,0,1]=3 2597 B11R0.148 CCCCCCCSCC(C)O 62a_100000210614_100011218427 [1,0,0,0,0,0|2,0,1]=4 2598 B11R0.148 CCCCCCCSCC(C)O 62a_100011218427_100000210316 [1,0,0,0,0,0|2,0,1]=4 2599 B11R0.148 CCCCCCCSC[C@@H](C)O 62a_100000210614_100009817552 [1,0,0,0,0,0|2,0,1]=4 2600 B11R0.148 CCCCCCCSC[C@@H](C)O 62a_100009817552_100000210316 [1,0,0,0,0,0|2,0,1]=4 2601 B11R0.148 CCCCCCCSC[N+](=O)[O-] 62a_100000210614_100000761209 [1,0,0,0,0,0|2,0,1]=4 2602 B11R0.148 CCCCCCNCCC(=O)N 2230a_100000210581_100000744528 [1,0,0,0,0,0|2,0,0]=3 2603 B11R0.148 CCCCCCNCCC(C)O 2230a_100000210581_100012276601 [1,0,0,0,0,0|2,0,1]=4 2604 B11R0.148 CCCCCCNCCC(C)O 2230a_200000755665_100000210314 [1,0,0,0,0,0|2,0,1]=4 2605 B11R0.148 CCCCCCNOCC(=O)O 269956a_100000106656_100000210757 [1,0,0,0,0,0|2,0,0]=3 2606 B11R0.148 CCCCCCOCCC(=O)C 34a_100000759926_100000210314 [1,0,0,0,0,0|2,0,0]=3 2607 B11R0.148 CCCCCCOCCC(=O)C 7a_100000210259_100000053229 [1,0,0,0,0,0|2,0,0]=3 2608 B11R0.148 CCCCCCOCCC(=O)C 7a_100000759926_100000210314 [1,0,0,0,0,0|2,0,0]=3 2609 B11R0.148 CCCCCCOCCC(=O)N 34a_100000210259_100000731001 [1,0,0,0,0,0|2,0,0]=3 2610 B11R0.148 CCCCCCOCCC(=O)N 34a_100000757172_100000210314 [1,0,0,0,0,0|2,0,0]=3 2611 B11R0.148 CCCCCCOCCC(=O)N 7a_100000210259_100000744528 [1,0,0,0,0,0|2,0,0]=3 2612 B11R0.148 CCCCCCOCCC(=O)N 7a_100000757172_100000210314 [1,0,0,0,0,0|2,0,0]=3 2613 B11R0.148 CCCCCCOCCC(C)O 34a_100000210259_100012276601 [1,0,0,0,0,0|2,0,1]=4 2614 B11R0.148 CCCCCCOCCC(C)O 7a_100000210259_100012276601 [1,0,0,0,0,0|2,0,1]=4 2615 B11R0.148 CCCCCCOCOC(=O)C 34a_100000210259_100009813279 [1,0,0,0,0,0|3,0,0]=4 2616 B11R0.148 CCCCCCSCCC(=O)C 62a_100000053229_100000210757 [1,0,0,0,0,0|2,0,0]=3 2617 B11R0.148 CCCCCCSCCC(=O)C 62a_100000210314_100000053229 [1,0,0,0,0,0|2,0,0]=3 2618 B11R0.148 CCCCCCSCCC(=O)N 62a_100000210314_100000744528 [1,0,0,0,0,0|2,0,0]=3 2619 B11R0.148 CCCCCCSCCC(=O)N 62a_100000744528_100000210757 [1,0,0,0,0,0|2,0,0]=3 2620 B11R0.148 CCCCCCSCCC(C)O 62a_100000210314_100012276601 [1,0,0,0,0,0|2,0,1]=4 2621 B11R0.148 CCCCCCSCCC(C)O 62a_100012276601_100000210757 [1,0,0,0,0,0|2,0,1]=4 2622 B11R0.148 CCCCCCSCOC(=O)C 62a_100000076356_100000210757 [1,0,0,0,0,0|3,0,0]=4 2623 B11R0.148 CCCCCCSCOC(=O)C 62a_100000210314_100000076356 [1,0,0,0,0,0|3,0,0]=4 2624 B11R0.148 CCCCCNCCCC(=O)N 34a_100000739312_100000718602 [1,0,0,0,0,0|2,0,0]=3 2625 B11R0.148 CCCCCNCCCC(C)O 2230a_100000209983_200000718107 [1,0,0,0,0,0|2,0,1]=4 2626 B11R0.148 CCCCCNCCCS(=O)C 2230a_200000753449_100000210326 [1,0,0,0,0,0|3,0,0]=4 2627 B11R0.148 CCCCCNCCNC(=O)C 2230a_100000209853_100000210326 [1,0,0,0,0,0|3,0,0]=4 2628 B11R0.148 CCCCCNCCNC(=O)C 2230a_100000209983_100000189650 [1,0,0,0,0,0|3,0,0]=4 2629 B11R0.148 CCCCCNCCNC(=O)N 2230a_100000209983_200000034859 [1,0,0,0,0,0|3,0,0]=4 2630 B11R0.148 CCCCCNCCNC(=O)N 34a_100020590234_100000718602 [1,0,0,0,0,0|3,0,0]=4 2631 B11R0.148 CCCCCOCCCC(=O)C 34a_100000210253_100000685027 [1,0,0,0,0,0|2,0,0]=3 2632 B11R0.148 CCCCCOCCCC(=O)C 34a_100000759063_100000718602 [1,0,0,0,0,0|2,0,0]=3 2633 B11R0.148 CCCCCOCCCC(=O)C 7a_100000210253_100011215641 [1,0,0,0,0,0|2,0,0]=3 2634 B11R0.148 CCCCCOCCCC(=O)C 7a_100000759063_100000210326 [1,0,0,0,0,0|2,0,0]=3 2635 B11R0.148 CCCCCOCCCC(=O)N 34a_100000210253_100102525003 [1,0,0,0,0,0|2,0,0]=3 2636 B11R0.148 CCCCCOCCCC(=O)N 7a_100000210253_100102525003 [1,0,0,0,0,0|2,0,0]=3 2637 B11R0.148 CCCCCOCCCC(C)O 34a_100000210253_200000718107 [1,0,0,0,0,0|2,0,1]=4 2638 B11R0.148 CCCCCOCCCC(C)O 7a_100000210253_200000718107 [1,0,0,0,0,0|2,0,1]=4 2639 B11R0.148 CCCCCOCCC[N+](=O)[O-] 34a_200000037920_100000718602 [1,0,0,0,0,0|2,0,1]=4 2640 B11R0.148 CCCCCOCCNC(=O)C 34a_100000158858_100000718602 [1,0,0,0,0,0|3,0,0]=4 2641 B11R0.148 CCCCCOCCNC(=O)C 7a_100000210253_100000189650 [1,0,0,0,0,0|3,0,0]=4 2642 B11R0.148 CCCCCOCCNC(=O)N 34a_100000181757_100000718602 [1,0,0,0,0,0|3,0,0]=4 2643 B11R0.148 CCCCCOCCNC(=O)N 7a_100000210253_200000034859 [1,0,0,0,0,0|3,0,0]=4 2644 B11R0.148 CCCCCOCCOC(=O)C 34a_100000210253_100009814007 [1,0,0,0,0,0|3,0,0]=4 2645 B11R0.148 CCCCCOCCOC(=O)C 7a_100000210253_100009814007 [1,0,0,0,0,0|3,0,0]=4 2646 B11R0.148 CCCCCOCCOC(=O)N 34a_100000210253_200011214921 [1,0,0,0,0,0|3,0,0]=4 2647 B11R0.148 CCCCCOCCOC(=O)N 7a_100000210253_200011214921 [1,0,0,0,0,0|3,0,0]=4 2648 B11R0.148 CCCCCOCCOC(=O)N 7a_100000766696_100000210326 [1,0,0,0,0,0|3,0,0]=4 2649 B11R0.148 CCCCCSCCCC(=O)C 62a_100000210326_100011215641 [1,0,0,0,0,0|2,0,0]=3 2650 B11R0.148 CCCCCSCCCC(=O)C 62a_100011215641_100000210326 [1,0,0,0,0,0|2,0,0]=3 2651 B11R0.148 CCCCCSCCCC(=O)N 62a_100000210326_100102525003 [1,0,0,0,0,0|2,0,0]=3 2652 B11R0.148 CCCCCSCCCC(=O)N 62a_100102525003_100000210326 [1,0,0,0,0,0|2,0,0]=3 2653 B11R0.148 CCCCCSCCCC(C)O 62a_100000210326_200000718107 [1,0,0,0,0,0|2,0,1]=4 2654 B11R0.148 CCCCCSCCCC(C)O 62a_200000718107_100000210326 [1,0,0,0,0,0|2,0,1]=4 2655 B11R0.148 CCCCCSCCNC(=O)C 62a_100000189650_100000210326 [1,0,0,0,0,0|3,0,0]=4 2656 B11R0.148 CCCCCSCCNC(=O)C 62a_100000210326_100000189650 [1,0,0,0,0,0|3,0,0]=4 2657 B11R0.148 CCCCCSCCNC(=O)N 62a_100000210326_200000034859 [1,0,0,0,0,0|3,0,0]=4 2658 B11R0.148 CCCCCSCCNC(=O)N 62a_200000034859_100000210326 [1,0,0,0,0,0|3,0,0]=4 2659 B11R0.148 CCCCCSCCOC(=O)C 62a_100000210326_100009814007 [1,0,0,0,0,0|3,0,0]=4 2660 B11R0.148 CCCCCSCCOC(=O)C 62a_100009814007_100000210326 [1,0,0,0,0,0|3,0,0]=4 2661 B11R0.148 CCCCCSCCOC(=O)N 62a_100000210326_200011214921 [1,0,0,0,0,0|3,0,0]=4 2662 B11R0.148 CCCCCSCCOC(=O)N 62a_200011214921_100000210326 [1,0,0,0,0,0|3,0,0]=4 2663 B11R0.148 CCCCNCCCCB(O)O 2230a_100000102301_200009817182 [1,0,0,0,0,0|2,0,1]=4 2664 B11R0.148 CCCCNCCCCB(O)O 7a_106832991798_200009817182 [1,0,0,0,0,0|2,0,1]=4 2665 B11R0.148 CCCCNCCCCC(=O)C 7a_106832991798_100000735457 [1,0,0,0,0,0|2,0,0]=3 2666 B11R0.148 CCCCNCCCCC(=O)N 34a_100000696515_100000210210 [1,0,0,0,0,0|2,0,0]=3 2667 B11R0.148 CCCCNCCCNC(=O)C 34a_100000736810_100000210210 [1,0,0,0,0,0|3,0,0]=4 2668 B11R0.148 CCCCNCCCOC(=O)C 7a_106832991798_100000042594 [1,0,0,0,0,0|3,0,0]=4 2669 B11R0.148 CCCCNCCCSC(=O)C 2230a_100000102301_100000038929 [1,0,0,0,0,0|3,0,0]=4 2670 B11R0.148 CCCCNCCCSC(=O)C 7a_106832991798_100000038929 [1,0,0,0,0,0|3,0,0]=4 2671 B11R0.148 CCCCNCCOCC(=O)N 2230a_100000102301_100000076697 [1,0,0,0,0,0|3,0,0]=4 2672 B11R0.148 CCCCNCCOCC(=O)N 7a_106832991798_100000076697 [1,0,0,0,0,0|3,0,0]=4 2673 B11R0.148 CCCCNCCOCC(=O)O 269956a_100000700818_100000210211 [1,0,0,0,0,0|2,0,0]=3 2674 B11R0.148 CCCCOCCCCB(O)O 34a_100000210227_200009817182 [1,0,0,0,0,0|2,0,1]=4 2675 B11R0.148 CCCCOCCCCB(O)O 7a_100000210227_200009817182 [1,0,0,0,0,0|2,0,1]=4 2676 B11R0.148 CCCCOCCCCC(=O)C 34a_100000210227_100009817362 [1,0,0,0,0,0|2,0,0]=3 2677 B11R0.148 CCCCOCCCCC(=O)C 7a_100000210227_100000735457 [1,0,0,0,0,0|2,0,0]=3 2678 B11R0.148 CCCCOCCCCC(=O)N 34a_100012022536_100000210210 [1,0,0,0,0,0|2,0,0]=3 2679 B11R0.148 CCCCOCCCCC(=O)N 7a_100012022536_100000210211 [1,0,0,0,0,0|2,0,0]=3 2680 B11R0.148 CCCCOCCCC[N+](=O)[O-] 34a_200015379883_100000210210 [1,0,0,0,0,0|2,0,1]=4 2681 B11R0.148 CCCCOCCCC[N+](=O)[O-] 7a_200015379883_100000210211 [1,0,0,0,0,0|2,0,1]=4 2682 B11R0.148 CCCCOCCCNC(=O)C 1626a_200000211371_100015343762 [1,0,0,0,0,0|3,0,0]=4 2683 B11R0.148 CCCCOCCCNC(=O)C 240690a_200000211371_100015343762 [1,0,0,0,0,0|3,0,0]=4 2684 B11R0.148 CCCCOCCCNC(=O)C 34a_100000752032_100000210210 [1,0,0,0,0,0|3,0,0]=4 2685 B11R0.148 CCCCOCCCNC(=O)C 527a_200000211371_100103153847 [1,0,0,0,0,0|3,0,0]=4 2686 B11R0.148 CCCCOCCCOC(=O)C 34a_100000210227_100000042594 [1,0,0,0,0,0|3,0,0]=4 2687 B11R0.148 CCCCOCCCOC(=O)C 7a_100000210227_100000042594 [1,0,0,0,0,0|3,0,0]=4 2688 B11R0.148 CCCCOCCCSC(=O)C 34a_100000210227_100000038929 [1,0,0,0,0,0|3,0,0]=4 2689 B11R0.148 CCCCOCCCSC(=O)C 7a_100000210227_100000038929 [1,0,0,0,0,0|3,0,0]=4 2690 B11R0.148 CCCCOCCNCC(=O)N 2230a_100000711301_100000743108 [1,0,0,0,0,0|3,0,0]=4 2691 B11R0.148 CCCCOCCNCC(=O)O 269956a_100016091260_100000743108 [1,0,0,0,0,0|2,0,0]=3 2692 B11R0.148 CCCCOCCOCC(=O)C 1458a_100011216887_200000210301 [1,0,0,0,0,0|3,0,0]=4 2693 B11R0.148 CCCCOCCOCC(=O)C 34a_100000211253_100000743108 [1,0,0,0,0,0|3,0,0]=4 2694 B11R0.148 CCCCOCCOCC(=O)N 34a_100000210227_100000076697 [1,0,0,0,0,0|3,0,0]=4 2695 B11R0.148 CCCCOCCOCC(=O)N 34a_100000210238_100000187820 [1,0,0,0,0,0|3,0,0]=4 2696 B11R0.148 CCCCOCCOCC(=O)N 7a_100000210227_100000076697 [1,0,0,0,0,0|3,0,0]=4 2697 B11R0.148 CCCCOCCOCC(=O)N 7a_100000210238_100000187820 [1,0,0,0,0,0|3,0,0]=4 2698 B11R0.148 CCCCOCCOCC(=O)[13CH3] 1458a_100011216887_200025704644 [1,0,0,0,0,0|3,0,0]=4 2699 B11R0.148 CCCCOCCOCC(=O)[O-] 34a_100000210238_100020667443 [1,0,0,0,0,0|2,0,1]=4 2700 B11R0.148 CCCCOCCSCC(=O)N 62a_100000743108_100000747473 [1,0,0,0,0,0|3,0,0]=4 2701 B11R0.148 CCCCOCCSCC(=O)N 62a_100000747473_100000743108 [1,0,0,0,0,0|3,0,0]=4 2702 B11R0.148 CCCCOCCSCC(=O)[O-] 62a_100000743108_100020667443 [1,0,0,0,0,0|2,0,1]=4 2703 B11R0.148 CCCCOCCSCC(=O)[O-] 62a_100020667443_100000743108 [1,0,0,0,0,0|2,0,1]=4 2704 B11R0.148 CCCCOCNOCC(=O)O 269956a_100000106656_100011995733 [1,0,0,0,0,0|3,0,0]=4 2705 B11R0.148 CCCCOCOCCC(=O)C 34a_100000759926_100011995733 [1,0,0,0,0,0|3,0,0]=4 2706 B11R0.148 CCCCOCOCCC(=O)N 34a_100000757172_100011995733 [1,0,0,0,0,0|3,0,0]=4 2707 B11R0.148 CCCCOCSCCC(=O)C 62a_100000053229_100011995733 [1,0,0,0,0,0|3,0,0]=4 2708 B11R0.148 CCCCOCSCCC(=O)C 62a_100011995733_100000053229 [1,0,0,0,0,0|3,0,0]=4 2709 B11R0.148 CCCCOCSCCC(=O)N 62a_100000744528_100011995733 [1,0,0,0,0,0|3,0,0]=4 2710 B11R0.148 CCCCOCSCCC(=O)N 62a_100011995733_100000744528 [1,0,0,0,0,0|3,0,0]=4 2711 B11R0.148 CCCCSCCCCB(O)O 62a_100000210211_200009817182 [1,0,0,0,0,0|2,0,1]=4 2712 B11R0.148 CCCCSCCCCB(O)O 62a_200009817182_100000210210 [1,0,0,0,0,0|2,0,1]=4 2713 B11R0.148 CCCCSCCCCC(=O)C 62a_100000210211_100000735457 [1,0,0,0,0,0|2,0,0]=3 2714 B11R0.148 CCCCSCCCCC(=O)C 62a_100000735457_100000210210 [1,0,0,0,0,0|2,0,0]=3 2715 B11R0.148 CCCCSCCCOC(=O)C 62a_100000042594_100000210210 [1,0,0,0,0,0|3,0,0]=4 2716 B11R0.148 CCCCSCCCOC(=O)C 62a_100000210211_100000042594 [1,0,0,0,0,0|3,0,0]=4 2717 B11R0.148 CCCCSCCCSC(=O)C 62a_100000038929_100000210210 [1,0,0,0,0,0|3,0,0]=4 2718 B11R0.148 CCCCSCCCSC(=O)C 62a_100000210211_100000038929 [1,0,0,0,0,0|3,0,0]=4 2719 B11R0.148 CCCCSCCNCC(=O)N 2230a_100025743550_100000747473 [1,0,0,0,0,0|3,0,0]=4 2720 B11R0.148 CCCCSCCOCC(=O)N 34a_200000230436_100000187820 [1,0,0,0,0,0|3,0,0]=4 2721 B11R0.148 CCCCSCCOCC(=O)N 62a_100000076697_100000210210 [1,0,0,0,0,0|3,0,0]=4 2722 B11R0.148 CCCCSCCOCC(=O)N 62a_100000210211_100000076697 [1,0,0,0,0,0|3,0,0]=4 2723 B11R0.148 CCCCSCCOCC(=O)N 7a_200000230436_100000187820 [1,0,0,0,0,0|3,0,0]=4 2724 B11R0.148 CCCCSCCOCC(=O)[O-] 34a_200000230436_100020667443 [1,0,0,0,0,0|2,0,1]=4 2725 B11R0.148 CCCNCCCCNC(=O)C 2230a_200011368371_100000210303 [1,0,0,0,0,0|3,0,0]=4 2726 B11R0.148 CCCNCCCCNC(=O)C 34a_200011368371_100000210303 [1,0,0,0,0,0|3,0,0]=4 2727 B11R0.148 CCCOCCCCCB(O)O 34a_100000210258_200009817188 [1,0,0,0,0,0|2,0,1]=4 2728 B11R0.148 CCCOCCCCCC(=O)N 34a_100000123541_100000210303 [1,0,0,0,0,0|2,0,0]=3 2729 B11R0.148 CCCOCCCCCC(=O)N 34a_100000210258_100009817443 [1,0,0,0,0,0|2,0,0]=3 2730 B11R0.148 CCCOCCCCCC(=O)N 7a_100000123541_100000210303 [1,0,0,0,0,0|2,0,0]=3 2731 B11R0.148 CCCOCCCCCC(=O)[O-] 7a_100102619762_100000210303 [1,0,0,0,0,0|1,0,1]=3 2732 B11R0.148 CCCOCCCCOC(=O)C 34a_100000073216_100000210303 [1,0,0,0,0,0|3,0,0]=4 2733 B11R0.148 CCCOCCCCOC(=O)C 34a_100000210258_100000033659 [1,0,0,0,0,0|3,0,0]=4 2734 B11R0.148 CCCOCCCCOC(=O)C 7a_100000073216_100000210303 [1,0,0,0,0,0|3,0,0]=4 2735 B11R0.148 CCCOCCCCSC(=O)C 34a_100000210258_200010402107 [1,0,0,0,0,0|3,0,0]=4 2736 B11R0.148 CCCOCCCNCC(=O)N 2230a_100011217757_100000747473 [1,0,0,0,0,0|3,0,0]=4 2737 B11R0.148 CCCOCCCNCC(=O)N 34a_100011217757_100000187820 [1,0,0,0,0,0|3,0,0]=4 2738 B11R0.148 CCCOCCCNCC(=O)[O-] 34a_100011217757_100020667443 [1,0,0,0,0,0|2,0,1]=4 2739 B11R0.148 CCCOCCNCCC(=O)N 2230a_100161115042_100000744528 [1,0,0,0,0,0|3,0,0]=4 2740 B11R0.148 CCCOCCNCCC(=O)N 34a_100161115042_100000731001 [1,0,0,0,0,0|3,0,0]=4 2741 B11R0.148 CCCOCCNOCC(=O)O 269956a_100000106656_100011215938 [1,0,0,0,0,0|3,0,0]=4 2742 B11R0.148 CCCOCCOCCC(=O)C 34a_100000759926_100011215938 [1,0,0,0,0,0|3,0,0]=4 2743 B11R0.148 CCCOCCOCCC(=O)C 7a_100000752267_100000053229 [1,0,0,0,0,0|3,0,0]=4 2744 B11R0.148 CCCOCCOCCC(=O)C 7a_100000759926_100011215938 [1,0,0,0,0,0|3,0,0]=4 2745 B11R0.148 CCCOCCOCCC(=O)N 34a_100000752267_100000731001 [1,0,0,0,0,0|3,0,0]=4 2746 B11R0.148 CCCOCCOCCC(=O)N 34a_100000757172_100011215938 [1,0,0,0,0,0|3,0,0]=4 2747 B11R0.148 CCCOCCOCCC(=O)N 7a_100000752267_100000744528 [1,0,0,0,0,0|3,0,0]=4 2748 B11R0.148 CCCOCCOCCC(=O)N 7a_100000757172_100011215938 [1,0,0,0,0,0|3,0,0]=4 2749 B11R0.148 CCCOCCSCCC(=O)C 62a_100000053229_100011215938 [1,0,0,0,0,0|3,0,0]=4 2750 B11R0.148 CCCOCCSCCC(=O)C 62a_100011215938_100000053229 [1,0,0,0,0,0|3,0,0]=4 2751 B11R0.148 CCCOCCSCCC(=O)N 62a_100000744528_100011215938 [1,0,0,0,0,0|3,0,0]=4 2752 B11R0.148 CCCOCCSCCC(=O)N 62a_100011215938_100000744528 [1,0,0,0,0,0|3,0,0]=4 2753 B11R0.148 CCCSCCCCCB(O)O 62a_100000210303_200009817188 [1,0,0,0,0,0|2,0,1]=4 2754 B11R0.148 CCCSCCCCCB(O)O 62a_200009817188_100000210303 [1,0,0,0,0,0|2,0,1]=4 2755 B11R0.148 CCCSCCCCCC(=O)N 62a_100000210303_100009817443 [1,0,0,0,0,0|2,0,0]=3 2756 B11R0.148 CCCSCCCCCC(=O)N 62a_100009817443_100000210303 [1,0,0,0,0,0|2,0,0]=3 2757 B11R0.148 CCCSCCCCOC(=O)C 62a_100000033659_100000210303 [1,0,0,0,0,0|3,0,0]=4 2758 B11R0.148 CCCSCCCCOC(=O)C 62a_100000210303_100000033659 [1,0,0,0,0,0|3,0,0]=4 2759 B11R0.148 CCCSCCCCSC(=O)C 62a_100000210303_200010402107 [1,0,0,0,0,0|3,0,0]=4 2760 B11R0.148 CCCSCCCCSC(=O)C 62a_200010402107_100000210303 [1,0,0,0,0,0|3,0,0]=4 2761 B11R0.148 CCCSCCNCCC(=O)N 2230a_100020603323_100000744528 [1,0,0,0,0,0|3,0,0]=4 2762 B11R0.148 CCCSCCOCCC(=O)C 7a_200000230433_100000053229 [1,0,0,0,0,0|3,0,0]=4 2763 B11R0.148 CCCSCCOCCC(=O)N 34a_200000230433_100000731001 [1,0,0,0,0,0|3,0,0]=4 2764 B11R0.148 CCCSCCOCCC(=O)N 7a_200000230433_100000744528 [1,0,0,0,0,0|3,0,0]=4 2765 B11R0.148 CCNCCCCCCB(O)O 2230a_100015525214_100009817187 [1,0,0,0,0,0|2,0,1]=4 2766 B11R0.148 CCNCCCCCNC(=O)C 2230a_200012022750_100000210202 [1,0,0,0,0,0|3,0,0]=4 2767 B11R0.148 CCNCCCCCNC(=O)C 34a_200012022750_100000210202 [1,0,0,0,0,0|3,0,0]=4 2768 B11R0.148 CCNCCCCCOC(=O)C 2230a_100015525214_100009813381 [1,0,0,0,0,0|3,0,0]=4 2769 B11R0.148 CCOCCCCCCB(O)O 34a_100121572206_100009817187 [1,0,0,0,0,0|2,0,1]=4 2770 B11R0.148 CCOCCCCCOC(=O)C 34a_100121572206_100000033007 [1,0,0,0,0,0|3,0,0]=4 2771 B11R0.148 CCOCCCNCCC(=O)N 2230a_100000210961_100000744528 [1,0,0,0,0,0|3,0,0]=4 2772 B11R0.148 CCOCCCNCCC(=O)N 34a_100000210961_100000731001 [1,0,0,0,0,0|3,0,0]=4 2773 B11R0.148 CCOCCCNOCC(=O)O 269956a_100000106656_100012232248 [1,0,0,0,0,0|3,0,0]=4 2774 B11R0.148 CCOCCCOCCC(=O)C 34a_100000759926_100012232248 [1,0,0,0,0,0|3,0,0]=4 2775 B11R0.148 CCOCCCOCCC(=O)C 7a_100000757476_100000053229 [1,0,0,0,0,0|3,0,0]=4 2776 B11R0.148 CCOCCCOCCC(=O)C 7a_100000759926_100012232248 [1,0,0,0,0,0|3,0,0]=4 2777 B11R0.148 CCOCCCOCCC(=O)N 34a_100000757172_100012232248 [1,0,0,0,0,0|3,0,0]=4 2778 B11R0.148 CCOCCCOCCC(=O)N 34a_100000757476_100000731001 [1,0,0,0,0,0|3,0,0]=4 2779 B11R0.148 CCOCCCOCCC(=O)N 7a_100000757172_100012232248 [1,0,0,0,0,0|3,0,0]=4 2780 B11R0.148 CCOCCCOCCC(=O)N 7a_100000757476_100000744528 [1,0,0,0,0,0|3,0,0]=4 2781 B11R0.148 CCOCCCSCCC(=O)C 62a_100000053229_100012232248 [1,0,0,0,0,0|3,0,0]=4 2782 B11R0.148 CCOCCCSCCC(=O)C 62a_100012232248_100000053229 [1,0,0,0,0,0|3,0,0]=4 2783 B11R0.148 CCOCCCSCCC(=O)N 62a_100000744528_100012232248 [1,0,0,0,0,0|3,0,0]=4 2784 B11R0.148 CCOCCCSCCC(=O)N 62a_100012232248_100000744528 [1,0,0,0,0,0|3,0,0]=4 2785 B11R0.148 CCOCCNCCCC(=O)C 34a_102516460346_100000685027 [1,0,0,0,0,0|3,0,0]=4 2786 B11R0.148 CCOCCNCCCC(=O)N 34a_100000739312_100000210147 [1,0,0,0,0,0|3,0,0]=4 2787 B11R0.148 CCOCCNCCCC(=O)N 34a_102516460346_100102525003 [1,0,0,0,0,0|3,0,0]=4 2788 B11R0.148 CCOCCOCCCC(=O)C 34a_100000210136_100000685027 [1,0,0,0,0,0|3,0,0]=4 2789 B11R0.148 CCOCCOCCCC(=O)C 34a_100000759063_100000210147 [1,0,0,0,0,0|3,0,0]=4 2790 B11R0.148 CCOCCOCCCC(=O)C 7a_100000210136_100011215641 [1,0,0,0,0,0|3,0,0]=4 2791 B11R0.148 CCOCCOCCCC(=O)C 7a_100000759063_100011215890 [1,0,0,0,0,0|3,0,0]=4 2792 B11R0.148 CCOCCOCCCC(=O)N 34a_100000210136_100102525003 [1,0,0,0,0,0|3,0,0]=4 2793 B11R0.148 CCOCCOCCCC(=O)N 7a_100000210136_100102525003 [1,0,0,0,0,0|3,0,0]=4 2794 B11R0.148 CCOCCSCCCC(=O)C 62a_100000210147_100011215641 [1,0,0,0,0,0|3,0,0]=4 2795 B11R0.148 CCOCCSCCCC(=O)C 62a_100011215641_100011215890 [1,0,0,0,0,0|3,0,0]=4 2796 B11R0.148 CCOCCSCCCC(=O)N 62a_100000210147_100102525003 [1,0,0,0,0,0|3,0,0]=4 2797 B11R0.148 CCOCCSCCCC(=O)N 62a_100102525003_100011215890 [1,0,0,0,0,0|3,0,0]=4 2798 B11R0.148 CCOCNCCOCC(=O)O 269956a_100000700818_100000739092 [1,0,0,0,0,0|3,0,0]=4 2799 B11R0.148 CCOCSCCCCC(=O)C 62a_100000735457_100000739092 [1,0,0,0,0,0|3,0,0]=4 2800 B11R0.148 CCOCSCCCCC(=O)C 62a_100000739092_100000735457 [1,0,0,0,0,0|3,0,0]=4 2801 B11R0.148 CCSCCCCCCB(O)O 62a_100000210202_100009817187 [1,0,0,0,0,0|2,0,1]=4 2802 B11R0.148 CCSCCCCCCB(O)O 62a_100009817187_100000210202 [1,0,0,0,0,0|2,0,1]=4 2803 B11R0.148 CCSCCCCCOC(=O)C 62a_100000033007_100000210202 [1,0,0,0,0,0|3,0,0]=4 2804 B11R0.148 CCSCCCCCOC(=O)C 62a_100000210202_100000033007 [1,0,0,0,0,0|3,0,0]=4 2805 B11R0.148 CCSCCCOCCC(=O)C 7a_100011216438_100000053229 [1,0,0,0,0,0|3,0,0]=4 2806 B11R0.148 CCSCCCOCCC(=O)N 34a_100011216438_100000731001 [1,0,0,0,0,0|3,0,0]=4 2807 B11R0.148 CCSCCCOCCC(=O)N 7a_100011216438_100000744528 [1,0,0,0,0,0|3,0,0]=4 2808 B11R0.148 CCSCCNCCCC(=O)N 34a_100000739312_100000757381 [1,0,0,0,0,0|3,0,0]=4 2809 B11R0.148 CCSCCOCCCC(=O)C 34a_100000212035_100000685027 [1,0,0,0,0,0|3,0,0]=4 2810 B11R0.148 CCSCCOCCCC(=O)C 34a_100000759063_100000757381 [1,0,0,0,0,0|3,0,0]=4 2811 B11R0.148 CCSCCOCCCC(=O)C 7a_100000212035_100011215641 [1,0,0,0,0,0|3,0,0]=4 2812 B11R0.148 CCSCCOCCCC(=O)C 7a_100000759063_100000757381 [1,0,0,0,0,0|3,0,0]=4 2813 B11R0.148 CCSCCOCCCC(=O)N 34a_100000212035_100102525003 [1,0,0,0,0,0|3,0,0]=4 2814 B11R0.148 CCSCCOCCCC(=O)N 7a_100000212035_100102525003 [1,0,0,0,0,0|3,0,0]=4 2815 B11R0.148 CCSCCSCCCC(=O)C 62a_100000757381_100011215641 [1,0,0,0,0,0|3,0,0]=4 2816 B11R0.148 CCSCCSCCCC(=O)C 62a_100011215641_100000757381 [1,0,0,0,0,0|3,0,0]=4 2817 B11R0.148 CCSCCSCCCC(=O)N 62a_100000757381_100102525003 [1,0,0,0,0,0|3,0,0]=4 2818 B11R0.148 CCSCCSCCCC(=O)N 62a_100102525003_100000757381 [1,0,0,0,0,0|3,0,0]=4 2819 B11R0.148 CNCCCCCCNC(=O)C 2230a_200011996284_200000210301 [1,0,0,0,0,0|3,0,0]=4 2820 B11R0.148 CNCCCCCCNC(=O)C 34a_200011996284_200000210301 [1,0,0,0,0,0|3,0,0]=4 2821 B11R0.148 CNCCCCCOCC(=O)N 34a_100000722520_100000187820 [1,0,0,0,0,0|3,0,0]=4 2822 B11R0.148 CNCCCCCOCC(=O)[O-] 34a_100000722520_100020667443 [1,0,0,0,0,0|2,0,1]=4 2823 B11R0.148 CNCCCOCCCC(=O)C 34a_100000213112_100000685027 [1,0,0,0,0,0|3,0,0]=4 2824 B11R0.148 CNCCCOCCCC(=O)N 34a_100000213112_100102525003 [1,0,0,0,0,0|3,0,0]=4 2825 B11R0.148 CNCCOCCOCC(=O)O 269956a_100009854275_200000210301 [1,0,0,0,0,0|3,0,0]=4 2826 B11R0.148 COCCCCCNCC(=O)N 2230a_100000747528_100000747473 [1,0,0,0,0,0|3,0,0]=4 2827 B11R0.148 COCCCCCNCC(=O)N 34a_100000747528_100000187820 [1,0,0,0,0,0|3,0,0]=4 2828 B11R0.148 COCCCCCNCC(=O)[O-] 34a_100000747528_100020667443 [1,0,0,0,0,0|2,0,1]=4 2829 B11R0.148 COCCCCNOCC(=O)O 269956a_100000106656_100000730899 [1,0,0,0,0,0|3,0,0]=4 2830 B11R0.148 COCCCCOCCC(=O)C 34a_100000759926_100000755781 [1,0,0,0,0,0|3,0,0]=4 2831 B11R0.148 COCCCCOCCC(=O)C 7a_100000759926_100000730899 [1,0,0,0,0,0|3,0,0]=4 2832 B11R0.148 COCCCCOCCC(=O)N 34a_100000740925_100000731001 [1,0,0,0,0,0|3,0,0]=4 2833 B11R0.148 COCCCCOCCC(=O)N 34a_100000757172_100000755781 [1,0,0,0,0,0|3,0,0]=4 2834 B11R0.148 COCCCCOCCC(=O)N 7a_100000757172_100000730899 [1,0,0,0,0,0|3,0,0]=4 2835 B11R0.148 COCCCCSCCC(=O)C 62a_100000053229_100000730899 [1,0,0,0,0,0|3,0,0]=4 2836 B11R0.148 COCCCCSCCC(=O)C 62a_100000730899_100000053229 [1,0,0,0,0,0|3,0,0]=4 2837 B11R0.148 COCCCCSCCC(=O)N 62a_100000730899_100000744528 [1,0,0,0,0,0|3,0,0]=4 2838 B11R0.148 COCCCCSCCC(=O)N 62a_100000744528_100000730899 [1,0,0,0,0,0|3,0,0]=4 2839 B11R0.148 COCCCNCCCC(=O)C 34a_100150723488_100000685027 [1,0,0,0,0,0|3,0,0]=4 2840 B11R0.148 COCCCNCCCC(=O)N 34a_100000739312_100000740836 [1,0,0,0,0,0|3,0,0]=4 2841 B11R0.148 COCCCNCCCC(=O)N 34a_100150723488_100102525003 [1,0,0,0,0,0|3,0,0]=4 2842 B11R0.148 COCCCOCCCC(=O)C 34a_100000740835_100000685027 [1,0,0,0,0,0|3,0,0]=4 2843 B11R0.148 COCCCOCCCC(=O)C 34a_100000759063_100000740836 [1,0,0,0,0,0|3,0,0]=4 2844 B11R0.148 COCCCOCCCC(=O)C 7a_100000759063_100000740836 [1,0,0,0,0,0|3,0,0]=4 2845 B11R0.148 COCCCOCCCC(=O)N 34a_100000740835_100102525003 [1,0,0,0,0,0|3,0,0]=4 2846 B11R0.148 COCCCSCCCC(=O)C 62a_100000709357_100011215641 [1,0,0,0,0,0|3,0,0]=4 2847 B11R0.148 COCCCSCCCC(=O)C 62a_100011215641_100000709357 [1,0,0,0,0,0|3,0,0]=4 2848 B11R0.148 COCCCSCCCC(=O)N 62a_100000709357_100102525003 [1,0,0,0,0,0|3,0,0]=4 2849 B11R0.148 COCCCSCCCC(=O)N 62a_100102525003_100000709357 [1,0,0,0,0,0|3,0,0]=4 2850 B11R0.148 COCCNCCCCC(=O)N 34a_100000696515_100011201679 [1,0,0,0,0,0|3,0,0]=4 2851 B11R0.148 COCCNCCOCC(=O)O 269956a_100000700818_100000233755 [1,0,0,0,0,0|3,0,0]=4 2852 B11R0.148 COCCOCCCCC(=O)C 34a_100000210237_100009817362 [1,0,0,0,0,0|3,0,0]=4 2853 B11R0.148 COCCOCCCCC(=O)N 34a_100012022536_100011201679 [1,0,0,0,0,0|3,0,0]=4 2854 B11R0.148 COCCOCCCCC(=O)N 7a_100012022536_100000233755 [1,0,0,0,0,0|3,0,0]=4 2855 B11R0.148 COCCOCCNCC(=O)O 269956a_100016091260_100000695917 [1,0,0,0,0,0|3,0,0]=4 2856 B11R0.148 COCCSCCCCC(=O)C 62a_100000233755_100000735457 [1,0,0,0,0,0|3,0,0]=4 2857 B11R0.148 COCCSCCCCC(=O)C 62a_100000735457_100000233755 [1,0,0,0,0,0|3,0,0]=4 2858 B11R0.148 COCSCCCCCC(=O)N 62a_100000766300_100009817443 [1,0,0,0,0,0|3,0,0]=4 2859 B11R0.148 COCSCCCCCC(=O)N 62a_100009817443_100000766300 [1,0,0,0,0,0|3,0,0]=4 2860 B11R0.148 CSCCCCOCCC(=O)C 7a_100011217163_100000053229 [1,0,0,0,0,0|3,0,0]=4 2861 B11R0.148 CSCCCCOCCC(=O)N 34a_100011217163_100000731001 [1,0,0,0,0,0|3,0,0]=4 2862 B11R0.148 CSCCCCOCCC(=O)N 7a_100011217163_100000744528 [1,0,0,0,0,0|3,0,0]=4 2863 B11R0.148 CSCCCOCCCC(=O)C 34a_100000690336_100000685027 [1,0,0,0,0,0|3,0,0]=4 2864 B11R0.148 CSCCCOCCCC(=O)C 7a_100000690336_100011215641 [1,0,0,0,0,0|3,0,0]=4 2865 B11R0.148 CSCCCOCCCC(=O)N 34a_100000690336_100102525003 [1,0,0,0,0,0|3,0,0]=4 2866 B11R0.148 CSCCCOCCCC(=O)N 7a_100000690336_100102525003 [1,0,0,0,0,0|3,0,0]=4 2867 B11R0.148 CSCCNCCCCC(=O)N 34a_100000696515_100000212216 [1,0,0,0,0,0|3,0,0]=4 2868 B11R0.148 CSCCNCCOCC(=O)O 269956a_100000700818_100000212216 [1,0,0,0,0,0|3,0,0]=4 2869 B11R0.148 CSCCOCCCCC(=O)C 34a_100000230434_100009817362 [1,0,0,0,0,0|3,0,0]=4 2870 B11R0.148 CSCCOCCCCC(=O)C 7a_100000230434_100000735457 [1,0,0,0,0,0|3,0,0]=4 2871 B11R0.148 CSCCOCCCCC(=O)N 34a_100012022536_100000212216 [1,0,0,0,0,0|3,0,0]=4 2872 B11R0.148 CSCCOCCCCC(=O)N 7a_100012022536_100000212216 [1,0,0,0,0,0|3,0,0]=4 2873 B11R0.148 CSCCSCCCCC(=O)C 62a_100000212216_100000735457 [1,0,0,0,0,0|3,0,0]=4 2874 B11R0.148 CSCCSCCCCC(=O)C 62a_100000735457_100000751147 [1,0,0,0,0,0|3,0,0]=4 2875 B11R0.148 CSCOCCCCCC(=O)N 34a_100000123541_100011218213 [1,0,0,0,0,0|3,0,0]=4 2876 B11R0.148 CSCSCCCCCC(=O)N 62a_100009817443_100011218213 [1,0,0,0,0,0|3,0,0]=4 2877 B11R0.148 CSCSCCCCCC(=O)N 62a_100011218213_100009817443 [1,0,0,0,0,0|3,0,0]=4 2878 B11R0.148 N#CCCCCCNCC(=O)O 269956a_100016091260_100009813376 [1,0,0,0,0,0|2,0,1]=4 2879 B11R0.148 NC(=O)CCCCCNCCF 34a_100000724931_100009817443 [1,0,0,0,0,0|3,0,0]=4 2880 B11R0.148 NC(=O)CCCCCNCCO 2230a_100016997473_100009817443 [1,0,0,0,0,0|3,0,0]=4 2881 B11R0.148 NC(=O)CCCCCNCCO 34a_100016990907_100009817443 [1,0,0,0,0,0|3,0,0]=4 2882 B11R0.148 NC(=O)CCCCCOCCBr 34a_100000211926_100009817443 [1,0,0,0,0,0|3,0,0]=4 2883 B11R0.148 NC(=O)CCCCCOCCF 34a_100000123541_100011217306 [1,0,0,0,0,0|3,0,0]=4 2884 B11R0.148 NC(=O)CCCCCOCCF 7a_100000123541_100011217306 [1,0,0,0,0,0|3,0,0]=4 2885 B11R0.148 NC(=O)CCCCCOCCO 34a_100000123541_100000211926 [1,0,0,0,0,0|3,0,0]=4 2886 B11R0.148 NC(=O)CCCCCOCCO 7a_100000123541_100000211926 [1,0,0,0,0,0|3,0,0]=4 2887 B11R0.148 NC(=O)CCCCCSCCF 62a_100009817443_100011217306 [1,0,0,0,0,0|3,0,0]=4 2888 B11R0.148 NC(=O)CCCCCSCCF 62a_100011217306_100009817443 [1,0,0,0,0,0|3,0,0]=4 2889 B11R0.148 NC(=O)CCCCCSCCO 62a_100000211926_100009817443 [1,0,0,0,0,0|3,0,0]=4 2890 B11R0.148 NC(=O)CCCCCSCCO 62a_100009817443_100000211926 [1,0,0,0,0,0|3,0,0]=4 2891 B11R0.148 NC(=O)CCCCNCCCF 34a_100000696515_100011934791 [1,0,0,0,0,0|3,0,0]=4 2892 B11R0.148 NC(=O)CCCCNCCCO 34a_100000696515_100000230001 [1,0,0,0,0,0|3,0,0]=4 2893 B11R0.148 NC(=O)CCCCOCCCF 34a_100012022536_100011934791 [1,0,0,0,0,0|3,0,0]=4 2894 B11R0.148 NC(=O)CCCCOCCCF 7a_100012022536_100011934791 [1,0,0,0,0,0|3,0,0]=4 2895 B11R0.148 NC(=O)CCCCOCCCO 34a_100012022536_100000230001 [1,0,0,0,0,0|3,0,0]=4 2896 B11R0.148 NC(=O)CCCCOCCCO 7a_100012022536_100011215043 [1,0,0,0,0,0|3,0,0]=4 2897 B11R0.148 NC(=O)CCCNCCCCF 34a_100000739312_100000729493 [1,0,0,0,0,0|3,0,0]=4 2898 B11R0.148 NC(=O)CCCNCCCCO 34a_100000739312_100011216708 [1,0,0,0,0,0|3,0,0]=4 2899 B11R0.148 NC(=O)CCCNCCCCO 34a_100000750430_100102525003 [1,0,0,0,0,0|3,0,0]=4 2900 B11R0.148 NC(=O)CCCOCCCCBr 34a_100011216708_100102525003 [1,0,0,0,0,0|3,0,0]=4 2901 B11R0.148 NC(=O)CCCOCCCCCl 34a_100000210776_100102525003 [1,0,0,0,0,0|3,0,0]=4 2902 B11R0.148 NC(=O)CCCOCCCCCl 7a_100000210776_100102525003 [1,0,0,0,0,0|3,0,0]=4 2903 B11R0.148 NC(=O)CCCOCCCCF 34a_100011995726_100102525003 [1,0,0,0,0,0|3,0,0]=4 2904 B11R0.148 NC(=O)CCCOCCCCF 7a_100011995726_100102525003 [1,0,0,0,0,0|3,0,0]=4 2905 B11R0.148 NC(=O)CCCOCCCCI 34a_200012148704_100102525003 [1,0,0,0,0,0|3,0,0]=4 2906 B11R0.148 NC(=O)CCCSCCCCF 62a_100000729493_100102525003 [1,0,0,0,0,0|3,0,0]=4 2907 B11R0.148 NC(=O)CCCSCCCCF 62a_100102525003_100000729493 [1,0,0,0,0,0|3,0,0]=4 2908 B11R0.148 NC(=O)CCCSCCCCO 62a_100000210776_100102525003 [1,0,0,0,0,0|3,0,0]=4 2909 B11R0.148 NC(=O)CCCSCCCCO 62a_100102525003_100000210776 [1,0,0,0,0,0|3,0,0]=4 2910 B11R0.148 NC(=O)CCNCCCCCO 2230a_100000762737_100000744528 [1,0,0,0,0,0|3,0,0]=4 2911 B11R0.148 NC(=O)CCNCCCCCO 34a_100000762737_100000731001 [1,0,0,0,0,0|3,0,0]=4 2912 B11R0.148 NC(=O)CCOCCCCCBr 34a_100000746331_100000731001 [1,0,0,0,0,0|3,0,0]=4 2913 B11R0.148 NC(=O)CCOCCCCCBr 7a_100000746331_100000744528 [1,0,0,0,0,0|3,0,0]=4 2914 B11R0.148 NC(=O)CCOCCCCCCl 34a_100000746330_100000731001 [1,0,0,0,0,0|3,0,0]=4 2915 B11R0.148 NC(=O)CCOCCCCCCl 7a_100000746330_100000744528 [1,0,0,0,0,0|3,0,0]=4 2916 B11R0.148 NC(=O)CCOCCCCCF 34a_100000757172_100000729378 [1,0,0,0,0,0|3,0,0]=4 2917 B11R0.148 NC(=O)CCOCCCCCF 7a_100000757172_100000729378 [1,0,0,0,0,0|3,0,0]=4 2918 B11R0.148 NC(=O)CCOCCCCCI 34a_200012148887_100000731001 [1,0,0,0,0,0|3,0,0]=4 2919 B11R0.148 NC(=O)CCOCCCCCI 7a_200012148887_100000744528 [1,0,0,0,0,0|3,0,0]=4 2920 B11R0.148 NC(=O)CCOCCCCCO 34a_100000757172_100000746330 [1,0,0,0,0,0|3,0,0]=4 2921 B11R0.148 NC(=O)CCOCCCCCO 7a_100000757172_100000746330 [1,0,0,0,0,0|3,0,0]=4 2922 B11R0.148 NC(=O)CCSCCCCCF 62a_100000729378_100000744528 [1,0,0,0,0,0|3,0,0]=4 2923 B11R0.148 NC(=O)CCSCCCCCF 62a_100000744528_100000729378 [1,0,0,0,0,0|3,0,0]=4 2924 B11R0.148 NC(=O)CCSCCCCCO 62a_100000744528_100000746330 [1,0,0,0,0,0|3,0,0]=4 2925 B11R0.148 NC(=O)CCSCCCCCO 62a_100000746330_100000744528 [1,0,0,0,0,0|3,0,0]=4 2926 B11R0.148 NC(=O)CNCCCCCCF 2230a_100000711301_100015922095 [1,0,0,0,0,0|3,0,0]=4 2927 B11R0.148 NC(=O)CNCCCCCCO 2230a_100000686447_100000747473 [1,0,0,0,0,0|3,0,0]=4 2928 B11R0.148 NC(=O)CNCCCCCCO 2230a_100000711301_100000766143 [1,0,0,0,0,0|3,0,0]=4 2929 B11R0.148 NC(=O)CNCCCCCCO 34a_100000686447_100000187820 [1,0,0,0,0,0|3,0,0]=4 2930 B11R0.148 NC(=O)COCCCCCCBr 34a_100011215345_100000187820 [1,0,0,0,0,0|3,0,0]=4 2931 B11R0.148 NC(=O)COCCCCCCBr 7a_100011215345_100000187820 [1,0,0,0,0,0|3,0,0]=4 2932 B11R0.148 NC(=O)COCCCCCCCl 34a_100000766143_100000187820 [1,0,0,0,0,0|3,0,0]=4 2933 B11R0.148 NC(=O)COCCCCCCCl 7a_100000766143_100000187820 [1,0,0,0,0,0|3,0,0]=4 2934 B11R0.148 NC(=O)COCCCCCCF 34a_100000732779_100000187820 [1,0,0,0,0,0|3,0,0]=4 2935 B11R0.148 NC(=O)COCCCCCCF 7a_100000732779_100000187820 [1,0,0,0,0,0|3,0,0]=4 2936 B11R0.148 NC(=O)CSCCCCCCF 62a_100000747473_100015922095 [1,0,0,0,0,0|3,0,0]=4 2937 B11R0.148 NC(=O)CSCCCCCCF 62a_100015922095_100000747473 [1,0,0,0,0,0|3,0,0]=4 2938 B11R0.148 NC(=O)CSCCCCCCO 62a_100000747473_100000766143 [1,0,0,0,0,0|3,0,0]=4 2939 B11R0.148 NC(=O)CSCCCCCCO 62a_100000766143_100000747473 [1,0,0,0,0,0|3,0,0]=4 2940 B11R0.148 NCCCCCCOCC(=O)N 34a_100000686447_100000187820 [1,0,0,0,0,0|3,0,0]=4 2941 B11R0.148 NCCCCCCOCC(=O)[O-] 34a_100000686447_100020667443 [1,0,0,0,0,0|2,0,1]=4 2942 B11R0.148 NCCCCCOCCC(=O)N 34a_100000762737_100000731001 [1,0,0,0,0,0|3,0,0]=4 2943 B11R0.148 NCCCCOCCCC(=O)N 34a_100000750430_100102525003 [1,0,0,0,0,0|3,0,0]=4 2944 B11R0.148 NCCOCCCCCC(=O)N 34a_100000210304_100009817443 [1,0,0,0,0,0|3,0,0]=4 2945 B11R0.148 O=C(O)CNCCCCCCF 269956a_100016091260_100015922095 [1,0,0,0,0,0|2,0,0]=3 2946 B11R0.148 O=C(O)CNCCCCCCO 269956a_100016091260_100000766143 [1,0,0,0,0,0|2,0,0]=3 2947 B11R0.148 O=C(O)COCCNCCCF 269956a_100000700818_100011934791 [1,0,0,0,0,0|3,0,0]=4 2948 B11R0.148 O=C(O)COCCNCCCO 269956a_100000700818_100011215043 [1,0,0,0,0,0|3,0,0]=4 2949 B11R0.148 O=C(O)CONCCCCCF 269956a_100000106656_100000729378 [1,0,0,0,0,0|3,0,0]=4 2950 B11R0.148 O=C(O)CONCCCCCO 269956a_100000106656_100000746330 [1,0,0,0,0,0|3,0,0]=4 2951 B11R0.148 O=C([O-])CCCCCOCCF 7a_100102619762_100011217306 [1,0,0,0,0,0|2,0,1]=4 2952 B11R0.148 O=C([O-])CCCCCOCCO 7a_100102619762_100000211926 [1,0,0,0,0,0|2,0,1]=4 2953 B11R0.148 O=C([O-])CNCCCCCCO 34a_100000686447_100020667443 [1,0,0,0,0,0|2,0,1]=4 2954 B11R0.148 O=C([O-])COCCCCCCBr 34a_100011215345_100020667443 [1,0,0,0,0,0|2,0,1]=4 2955 B11R0.148 O=C([O-])COCCCCCCCl 34a_100000766143_100020667443 [1,0,0,0,0,0|2,0,1]=4 2956 B11R0.148 O=C([O-])COCCCCCCF 34a_100000732779_100020667443 [1,0,0,0,0,0|2,0,1]=4 2957 B11R0.148 O=C([O-])CSCCCCCCF 62a_100015922095_100020667443 [1,0,0,0,0,0|2,0,1]=4 2958 B11R0.148 O=C([O-])CSCCCCCCF 62a_100020667443_100015922095 [1,0,0,0,0,0|2,0,1]=4 2959 B11R0.148 O=C([O-])CSCCCCCCO 62a_100000766143_100020667443 [1,0,0,0,0,0|2,0,1]=4 2960 B11R0.148 O=C([O-])CSCCCCCCO 62a_100020667443_100000766143 [1,0,0,0,0,0|2,0,1]=4 2961 B11R0.148 O=CCCCCCNCC(=O)O 269956a_100016091260_100000139337 [1,0,0,0,0,0|2,0,1]=4 2962 B11R0.148 [13CH3]NCCOCCOCC(=O)O 269956a_100009854275_200025704644 [1,0,0,0,0,0|3,0,0]=4 2963 B13R0.1 C#CCCCCN(C)CCCC(=O)O 269956a_100000719178_100010269958 [0,1,0,0,0,0|1,0,2]=4 2964 B13R0.1 C=C(Br)CCOC(C)CCCCCC 34a_100009813270_100011215978 [0,1,0,0,0,0|3,0,0]=4 2965 B13R0.1 C=C(C)CCNC(C)CCCCCC 2230a_100000210919_100000730704 [0,1,0,0,0,0|3,0,0]=4 2966 B13R0.1 C=C(C)CCNC(C)CCCCCC 34a_100000210919_100000730704 [0,1,0,0,0,0|3,0,0]=4 2967 B13R0.1 C=C(C)CCOC(C)CCCCCC 34a_100000210265_100000730704 [0,1,0,0,0,0|3,0,0]=4 2968 B13R0.1 C=C(C)CCOC(C)CCCCCC 34a_100000764851_100011215978 [0,1,0,0,0,0|3,0,0]=4 2969 B13R0.1 C=C(C)CCOC(C)CCCCCC 7a_100000210265_100000730704 [0,1,0,0,0,0|3,0,0]=4 2970 B13R0.1 C=C(C)CCSC(C)CCCCCC 62a_100000730704_100011215978 [0,1,0,0,0,0|3,0,0]=4 2971 B13R0.1 C=C(C)CCSC(C)CCCCCC 62a_100011215978_100000730704 [0,1,0,0,0,0|3,0,0]=4 2972 B13R0.1 C=CCCCCN(C)CCCC(=O)O 269956a_100000719178_100011215482 [0,1,0,0,0,0|1,0,2]=4 2973 B13R0.1 CC(=O)CCCC(=O)CCCCCO 1458a_100102619762_100011215641 [0,1,0,0,0,0|2,0,1]=4 2974 B13R0.1 CC(=O)CCCN(C)CCCCCO 269982a_100000722520_100011215641 [0,1,0,0,0,0|3,0,0]=4 2975 B13R0.1 CC(CCCC(=O)[O-])OCCCCF 7a_100000761597_100000729493 [0,1,0,0,0,0|2,0,1]=4 2976 B13R0.1 CC(CCCC(=O)[O-])OCCCCO 7a_100000761597_100000210776 [0,1,0,0,0,0|2,0,1]=4 2977 B13R0.1 CC/C=C\CCN(C)CCCC(=O)O 269956a_100000719178_100015370543 [0,1,0,0,0,0|1,0,2]=4 2978 B13R0.1 CCCCCCC(=O)CCCC(=O)C 1458a_100102632555_100011215641 [0,1,0,0,0,0|1,0,1]=3 2979 B13R0.1 CCCCCCC(=O)CCCC(=O)N 1458a_100102632555_100102525003 [0,1,0,0,0,0|1,0,1]=3 2980 B13R0.1 CCCCCCC(=O)CCCC(C)O 1458a_100102632555_200000718107 [0,1,0,0,0,0|1,0,2]=4 2981 B13R0.1 CCCCCCC(=O)CCC[N+](=O)[O-] 1458a_100016109205_100000210757 [0,1,0,0,0,0|1,0,2]=4 2982 B13R0.1 CCCCCCC(=O)CCNC(=O)C 1458a_100000183196_100000210757 [0,1,0,0,0,0|2,0,1]=4 2983 B13R0.1 CCCCCCC(=O)CCNC(=O)C 1458a_100102632555_100000189650 [0,1,0,0,0,0|2,0,1]=4 2984 B13R0.1 CCCCCCC(=O)CCNC(=O)N 1458a_100000181464_100000210757 [0,1,0,0,0,0|2,0,1]=4 2985 B13R0.1 CCCCCCC(=O)CCNC(=O)N 1458a_100102632555_200000034859 [0,1,0,0,0,0|2,0,1]=4 2986 B13R0.1 CCCCCCC(=O)CCOC(=O)C 1458a_100102632555_100009814007 [0,1,0,0,0,0|2,0,1]=4 2987 B13R0.1 CCCCCCC(=O)CCOC(=O)N 1458a_100102632555_200011214921 [0,1,0,0,0,0|2,0,1]=4 2988 B13R0.1 CCCCCCC(=O)CCSC(=O)C 1458a_100000048949_100000210757 [0,1,0,0,0,0|2,0,1]=4 2989 B13R0.1 CCCCCCC(=O)COCC(=O)N 1458a_100011219004_100000210757 [0,1,0,0,0,0|2,0,1]=4 2990 B13R0.1 CCCCCCC(=O)NCCC(=O)N 11a_100000740010_100102632555 [0,1,0,0,0,0|2,0,1]=4 2991 B13R0.1 CCCCCCC(=O)NCCC(=O)N 240690a_100000740010_100102632555 [0,1,0,0,0,0|2,0,1]=4 2992 B13R0.1 CCCCCCC(=O)NCCC(=O)N 527a_100000740010_100102632555 [0,1,0,0,0,0|2,0,1]=4 2993 B13R0.1 CCCCCCC(C)NCCC(=O)N 2230a_100000210919_100000744528 [0,1,0,0,0,0|2,0,0]=3 2994 B13R0.1 CCCCCCC(C)NCCC(=O)N 34a_100000210919_100000731001 [0,1,0,0,0,0|2,0,0]=3 2995 B13R0.1 CCCCCCC(C)NCCC(C)O 2230a_100000210919_100012276601 [0,1,0,0,0,0|2,0,1]=4 2996 B13R0.1 CCCCCCC(C)NCCC(C)O 2230a_200000755665_100011215978 [0,1,0,0,0,0|2,0,1]=4 2997 B13R0.1 CCCCCCC(C)NCCC(C)O 270004a_200000755665_100000210826 [0,1,0,0,0,0|2,0,1]=4 2998 B13R0.1 CCCCCCC(C)NCCC(C)O 34a_100000210919_100012276601 [0,1,0,0,0,0|2,0,1]=4 2999 B13R0.1 CCCCCCC(C)NCOC(=O)C 34a_100000210919_100009813279 [0,1,0,0,0,0|3,0,0]=4 3000 B13R0.1 CCCCCCC(C)NOCC(=O)O 269956a_100000106656_100011215978 [0,1,0,0,0,0|2,0,0]=3 3001 B13R0.1 CCCCCCC(C)OCCC(=O)C 34a_100000759926_100011215978 [0,1,0,0,0,0|2,0,0]=3 3002 B13R0.1 CCCCCCC(C)OCCC(=O)C 7a_100000210265_100000053229 [0,1,0,0,0,0|2,0,0]=3 3003 B13R0.1 CCCCCCC(C)OCCC(=O)C 7a_100000759926_100011215978 [0,1,0,0,0,0|2,0,0]=3 3004 B13R0.1 CCCCCCC(C)OCCC(=O)N 34a_100000210265_100000731001 [0,1,0,0,0,0|2,0,0]=3 3005 B13R0.1 CCCCCCC(C)OCCC(=O)N 34a_100000757172_100011215978 [0,1,0,0,0,0|2,0,0]=3 3006 B13R0.1 CCCCCCC(C)OCCC(=O)N 7a_100000210265_100000744528 [0,1,0,0,0,0|2,0,0]=3 3007 B13R0.1 CCCCCCC(C)OCCC(=O)N 7a_100000757172_100011215978 [0,1,0,0,0,0|2,0,0]=3 3008 B13R0.1 CCCCCCC(C)OCCC(C)O 34a_100000210265_100012276601 [0,1,0,0,0,0|2,0,1]=4 3009 B13R0.1 CCCCCCC(C)OCCC(C)O 7a_100000210265_100012276601 [0,1,0,0,0,0|2,0,1]=4 3010 B13R0.1 CCCCCCC(C)OCOC(=O)C 34a_100000210265_100009813279 [0,1,0,0,0,0|3,0,0]=4 3011 B13R0.1 CCCCCCC(C)SCCC(=O)C 62a_100000053229_100011215978 [0,1,0,0,0,0|2,0,0]=3 3012 B13R0.1 CCCCCCC(C)SCCC(=O)C 62a_100011215978_100000053229 [0,1,0,0,0,0|2,0,0]=3 3013 B13R0.1 CCCCCCC(C)SCCC(=O)N 62a_100000744528_100011215978 [0,1,0,0,0,0|2,0,0]=3 3014 B13R0.1 CCCCCCC(C)SCCC(=O)N 62a_100011215978_100000744528 [0,1,0,0,0,0|2,0,0]=3 3015 B13R0.1 CCCCCCC(C)SCCC(C)O 62a_100011215978_100012276601 [0,1,0,0,0,0|2,0,1]=4 3016 B13R0.1 CCCCCCC(C)SCCC(C)O 62a_100012276601_100011215978 [0,1,0,0,0,0|2,0,1]=4 3017 B13R0.1 CCCCCCC(C)SCOC(=O)C 62a_100000076356_100011215978 [0,1,0,0,0,0|3,0,0]=4 3018 B13R0.1 CCCCCCC(C)SCOC(=O)C 62a_100011215978_100000076356 [0,1,0,0,0,0|3,0,0]=4 3019 B13R0.1 CCCCCCN(C)CCCC(=O)C 269982a_106256046315_100011215641 [0,1,0,0,0,0|2,0,0]=3 3020 B13R0.1 CCCCCCN(C)CCCC(=O)N 269982a_106256046315_100102525003 [0,1,0,0,0,0|2,0,0]=3 3021 B13R0.1 CCCCCCN(C)CCCC(=O)O 269956a_100000719178_100000210757 [0,1,0,0,0,0|1,0,0]=2 3022 B13R0.1 CCCCCCN(C)CCCC(C)O 2230a_106256046315_200000718107 [0,1,0,0,0,0|2,0,1]=4 3023 B13R0.1 CCCCCCN(C)CCCC(C)O 269982a_106256046315_200000718107 [0,1,0,0,0,0|2,0,1]=4 3024 B13R0.1 CCCCCCN(C)CCNC(=O)C 2230a_106256046315_100000189650 [0,1,0,0,0,0|3,0,0]=4 3025 B13R0.1 CCCCCCN(C)CCNC(=O)C 269982a_106256046315_100000189650 [0,1,0,0,0,0|3,0,0]=4 3026 B13R0.1 CCCCCCN(C)CCNC(=O)N 2230a_106256046315_200000034859 [0,1,0,0,0,0|3,0,0]=4 3027 B13R0.1 CCCCCCN(C)CCNC(=O)N 269982a_106256046315_200000034859 [0,1,0,0,0,0|3,0,0]=4 3028 B13R0.1 CCCCCCN(C)CCOC(=O)C 269982a_106256046315_100009814007 [0,1,0,0,0,0|3,0,0]=4 3029 B13R0.1 CCCCCCN(C)CCOC(=O)N 269982a_106256046315_200011214921 [0,1,0,0,0,0|3,0,0]=4 3030 B13R0.1 CCCCCNC(=O)CNCC(=O)O 269956a_100016091260_100000230301 [0,1,0,0,0,0|2,0,1]=4 3031 B13R0.1 CCCCCOC(C)CCCC(=O)[O-] 7a_100000761597_100000210326 [0,1,0,0,0,0|1,0,1]=3 3032 B13R0.1 CCCCOCC(=O)CCCC(=O)C 1458a_100000757543_100011215641 [0,1,0,0,0,0|2,0,1]=4 3033 B13R0.1 CCCCOCC(=O)CCCC(=O)N 1458a_100000757543_100102525003 [0,1,0,0,0,0|2,0,1]=4 3034 B13R0.1 CCCCOCC(C)OCCC(=O)C 7a_100011217071_100000053229 [0,1,0,0,0,0|3,0,0]=4 3035 B13R0.1 CCCCOCC(C)OCCC(=O)N 34a_100011217071_100000731001 [0,1,0,0,0,0|3,0,0]=4 3036 B13R0.1 CCCCOCC(C)OCCC(=O)N 7a_100011217071_100000744528 [0,1,0,0,0,0|3,0,0]=4 3037 B13R0.1 CCCCOCN(C)CCCC(=O)O 269956a_100000719178_100011995733 [0,1,0,0,0,0|2,0,0]=3 3038 B13R0.1 CCCCSCC(=O)CCCC(=O)C 1458a_100000191162_100011215641 [0,1,0,0,0,0|2,0,1]=4 3039 B13R0.1 CCCCSCC(=O)CCCC(=O)N 1458a_100000191162_100102525003 [0,1,0,0,0,0|2,0,1]=4 3040 B13R0.1 CCCOCCN(C)CCCC(=O)O 269956a_100000719178_100011215938 [0,1,0,0,0,0|2,0,0]=3 3041 B13R0.1 CCOCCCN(C)CCCC(=O)O 269956a_100000719178_100012232248 [0,1,0,0,0,0|2,0,0]=3 3042 B13R0.1 CCOCCOC(C)CCCC(=O)[O-] 7a_100000761597_100011215890 [0,1,0,0,0,0|2,0,1]=4 3043 B13R0.1 CCSCCOC(C)CCCC(=O)[O-] 7a_100000761597_100000757381 [0,1,0,0,0,0|2,0,1]=4 3044 B13R0.1 CN(CCCC(=O)O)CCOCCO 269956a_100000719178_100011215305 [0,1,0,0,0,0|3,0,0]=4 3045 B13R0.1 CN(CCCCC#N)CCCC(=O)O 269956a_100000719178_100011219923 [0,1,0,0,0,0|2,0,1]=4 3046 B13R0.1 CN(CCCCC=O)CCCC(=O)O 269956a_100000719178_100000139335 [0,1,0,0,0,0|2,0,1]=4 3047 B13R0.1 CN(CCCCCF)CCCC(=O)O 269956a_100000719178_100000729378 [0,1,0,0,0,0|2,0,0]=3 3048 B13R0.1 CN(CCCCCO)CCCC(=O)N 269982a_100000722520_100102525003 [0,1,0,0,0,0|3,0,0]=4 3049 B13R0.1 CN(CCCCCO)CCCC(=O)O 269956a_100000719178_100000746330 [0,1,0,0,0,0|2,0,0]=3 3050 B13R0.1 COCCCCN(C)CCCC(=O)O 269956a_100000719178_100000730899 [0,1,0,0,0,0|2,0,0]=3 3051 B13R0.1 COCCCOC(C)CCCC(=O)[O-] 7a_100000761597_100000740836 [0,1,0,0,0,0|2,0,1]=4 3052 B13R0.1 COCCOCN(C)CCCC(=O)O 269956a_100000719178_100000231047 [0,1,0,0,0,0|3,0,0]=4 3053 B13R0.1 NC(=O)CCCC(=O)CCCCCO 1458a_100102619762_100102525003 [0,1,0,0,0,0|2,0,1]=4 3054 B13R0.54 C#CCCCCCCCNCC(=O)N 2230a_100000711301_100153394163 [0,1,0,0,0,0|1,0,2]=4 3055 B13R0.54 C#CCCCCCCCNCC(=O)O 269956a_100016091260_100153394163 [0,1,0,0,0,0|0,0,2]=3 3056 B13R0.54 C#CCCCCCCCOCC(=O)C 34a_100000211253_100153394163 [0,1,0,0,0,0|1,0,2]=4 3057 B13R0.54 C#CCCCCCCCOCC(=O)N 34a_100000054614_100000187820 [0,1,0,0,0,0|1,0,2]=4 3058 B13R0.54 C#CCCCCCCCOCC(=O)N 7a_100000054614_100000187820 [0,1,0,0,0,0|1,0,2]=4 3059 B13R0.54 C#CCCCCCCCOCC(=O)[O-] 34a_100000054614_100020667443 [0,1,0,0,0,0|0,0,3]=4 3060 B13R0.54 C#CCCCCCCCSCC(=O)N 62a_100000747473_100153394163 [0,1,0,0,0,0|1,0,2]=4 3061 B13R0.54 C#CCCCCCCCSCC(=O)N 62a_100153394163_100000747473 [0,1,0,0,0,0|1,0,2]=4 3062 B13R0.54 C#CCCCCCCCSCC(=O)[O-] 62a_100020667443_100153394163 [0,1,0,0,0,0|0,0,3]=4 3063 B13R0.54 C#CCCCCCCCSCC(=O)[O-] 62a_100153394163_100020667443 [0,1,0,0,0,0|0,0,3]=4 3064 B13R0.54 C#CCCCCCCNOCC(=O)O 269956a_100000106656_100012276617 [0,1,0,0,0,0|1,0,2]=4 3065 B13R0.54 C#CCCCCCCOCCC(=O)C 34a_100000759926_100012276617 [0,1,0,0,0,0|1,0,2]=4 3066 B13R0.54 C#CCCCCCCOCCC(=O)C 7a_100000759926_100012276617 [0,1,0,0,0,0|1,0,2]=4 3067 B13R0.54 C#CCCCCCCOCCC(=O)C 7a_100011217361_100000053229 [0,1,0,0,0,0|1,0,2]=4 3068 B13R0.54 C#CCCCCCCOCCC(=O)N 34a_100000757172_100012276617 [0,1,0,0,0,0|1,0,2]=4 3069 B13R0.54 C#CCCCCCCOCCC(=O)N 34a_100011217361_100000731001 [0,1,0,0,0,0|1,0,2]=4 3070 B13R0.54 C#CCCCCCCOCCC(=O)N 7a_100000757172_100012276617 [0,1,0,0,0,0|1,0,2]=4 3071 B13R0.54 C#CCCCCCCOCCC(=O)N 7a_100011217361_100000744528 [0,1,0,0,0,0|1,0,2]=4 3072 B13R0.54 C#CCCCCCCSCCC(=O)C 62a_100000053229_100012276617 [0,1,0,0,0,0|1,0,2]=4 3073 B13R0.54 C#CCCCCCCSCCC(=O)C 62a_100012276617_100000053229 [0,1,0,0,0,0|1,0,2]=4 3074 B13R0.54 C#CCCCCCCSCCC(=O)N 62a_100000744528_100012276617 [0,1,0,0,0,0|1,0,2]=4 3075 B13R0.54 C#CCCCCCCSCCC(=O)N 62a_100012276617_100000744528 [0,1,0,0,0,0|1,0,2]=4 3076 B13R0.54 C#CCCCCCNCCCC(=O)N 34a_100000739312_100012094781 [0,1,0,0,0,0|1,0,2]=4 3077 B13R0.54 C#CCCCCCOCCCC(=O)C 34a_100000759063_100012094781 [0,1,0,0,0,0|1,0,2]=4 3078 B13R0.54 C#CCCCCCOCCCC(=O)C 34a_100000766912_100000685027 [0,1,0,0,0,0|1,0,2]=4 3079 B13R0.54 C#CCCCCCOCCCC(=O)C 7a_100000759063_100012094781 [0,1,0,0,0,0|1,0,2]=4 3080 B13R0.54 C#CCCCCCOCCCC(=O)C 7a_100000766912_100011215641 [0,1,0,0,0,0|1,0,2]=4 3081 B13R0.54 C#CCCCCCOCCCC(=O)N 34a_100000766912_100102525003 [0,1,0,0,0,0|1,0,2]=4 3082 B13R0.54 C#CCCCCCOCCCC(=O)N 7a_100000766912_100102525003 [0,1,0,0,0,0|1,0,2]=4 3083 B13R0.54 C#CCCCCCSCCCC(=O)C 62a_100011215641_100012094781 [0,1,0,0,0,0|1,0,2]=4 3084 B13R0.54 C#CCCCCCSCCCC(=O)C 62a_100012094781_100011215641 [0,1,0,0,0,0|1,0,2]=4 3085 B13R0.54 C#CCCCCCSCCCC(=O)N 62a_100012094781_100102525003 [0,1,0,0,0,0|1,0,2]=4 3086 B13R0.54 C#CCCCCCSCCCC(=O)N 62a_100102525003_100012094781 [0,1,0,0,0,0|1,0,2]=4 3087 B13R0.54 C#CCCCCNCCCCC(=O)C 34a_100000706060_100009817362 [0,1,0,0,0,0|1,0,2]=4 3088 B13R0.54 C#CCCCCNCCCCC(=O)N 34a_100000696515_100010269958 [0,1,0,0,0,0|1,0,2]=4 3089 B13R0.54 C#CCCCCNCCOCC(=O)O 269956a_100000700818_100010269958 [0,1,0,0,0,0|1,0,2]=4 3090 B13R0.54 C#CCCCCOCCCCC(=O)C 34a_100000766709_100009817362 [0,1,0,0,0,0|1,0,2]=4 3091 B13R0.54 C#CCCCCOCCCCC(=O)C 7a_100000766709_100000735457 [0,1,0,0,0,0|1,0,2]=4 3092 B13R0.54 C#CCCCCOCCCCC(=O)N 34a_100012022536_100010269958 [0,1,0,0,0,0|1,0,2]=4 3093 B13R0.54 C#CCCCCOCCCCC(=O)N 7a_100012022536_100010269958 [0,1,0,0,0,0|1,0,2]=4 3094 B13R0.54 C#CCCCCSCCCCC(=O)C 62a_100000735457_100010269958 [0,1,0,0,0,0|1,0,2]=4 3095 B13R0.54 C#CCCCCSCCCCC(=O)C 62a_100010269958_100000735457 [0,1,0,0,0,0|1,0,2]=4 3096 B13R0.54 C#CCCCNCCCCCC(=O)N 34a_100000718082_100009817443 [0,1,0,0,0,0|1,0,2]=4 3097 B13R0.54 C#CCCCOCCCCCC(=O)N 34a_100000123541_100000695029 [0,1,0,0,0,0|1,0,2]=4 3098 B13R0.54 C#CCCCOCCCCCC(=O)N 34a_100000215630_100009817443 [0,1,0,0,0,0|1,0,2]=4 3099 B13R0.54 C#CCCCOCCCCCC(=O)N 7a_100000123541_100011215417 [0,1,0,0,0,0|1,0,2]=4 3100 B13R0.54 C#CCCCOCCCCCC(=O)N 7a_100000215630_100009817443 [0,1,0,0,0,0|1,0,2]=4 3101 B13R0.54 C#CCCCOCCCCCC(=O)[O-] 7a_100102619762_100011215417 [0,1,0,0,0,0|0,0,3]=4 3102 B13R0.54 C#CCCCSCCCCCC(=O)N 62a_100009817443_100011215417 [0,1,0,0,0,0|1,0,2]=4 3103 B13R0.54 C#CCCCSCCCCCC(=O)N 62a_100011215417_100009817443 [0,1,0,0,0,0|1,0,2]=4 3104 B13R0.54 C/C=C/CCOCCCCCC(=O)N 34a_100016278192_100009817443 [0,1,0,0,0,0|1,0,2]=4 3105 B13R0.54 C=C(Br)CCOCCCCCCCC 34a_100009813270_100000210759 [0,1,0,0,0,0|2,0,0]=3 3106 B13R0.54 C=C(Br)CCOCCCCCCCO 34a_100009813270_100000760002 [0,1,0,0,0,0|3,0,0]=4 3107 B13R0.54 C=C(Br)CCOCCCCCCOC 34a_100009813270_100011998445 [0,1,0,0,0,0|3,0,0]=4 3108 B13R0.54 C=C(C)CCNCCCCCCCC 2230a_100000229939_100000730704 [0,1,0,0,0,0|2,0,0]=3 3109 B13R0.54 C=C(C)CCNCCCCCCCC 34a_100000229939_100000730704 [0,1,0,0,0,0|2,0,0]=3 3110 B13R0.54 C=C(C)CCNCCCCCCCO 2230a_100011996573_100000730704 [0,1,0,0,0,0|3,0,0]=4 3111 B13R0.54 C=C(C)CCNCCCCCCCO 34a_100011996573_100000730704 [0,1,0,0,0,0|3,0,0]=4 3112 B13R0.54 C=C(C)CCNCCCOCCCC 2230a_200000211371_100000730704 [0,1,0,0,0,0|3,0,0]=4 3113 B13R0.54 C=C(C)CCNCCCOCCCC 34a_200000211371_100000730704 [0,1,0,0,0,0|3,0,0]=4 3114 B13R0.54 C=C(C)CCOCCCCCCCBr 34a_100000760002_100000730704 [0,1,0,0,0,0|3,0,0]=4 3115 B13R0.54 C=C(C)CCOCCCCCCCBr 7a_100000760002_100000730704 [0,1,0,0,0,0|3,0,0]=4 3116 B13R0.54 C=C(C)CCOCCCCCCCC 34a_100000210232_100000730704 [0,1,0,0,0,0|2,0,0]=3 3117 B13R0.54 C=C(C)CCOCCCCCCCC 34a_100000764851_100000210759 [0,1,0,0,0,0|2,0,0]=3 3118 B13R0.54 C=C(C)CCOCCCCCCCC 7a_100000210232_100000730704 [0,1,0,0,0,0|2,0,0]=3 3119 B13R0.54 C=C(C)CCOCCCCCCCN 34a_100011996573_100000730704 [0,1,0,0,0,0|3,0,0]=4 3120 B13R0.54 C=C(C)CCOCCCCCCCO 34a_100000764851_100000760002 [0,1,0,0,0,0|3,0,0]=4 3121 B13R0.54 C=C(C)CCOCCCCCCOC 34a_100000764851_100011998445 [0,1,0,0,0,0|3,0,0]=4 3122 B13R0.54 C=C(C)CCOCCCCCCOC 34a_200012092642_100000730704 [0,1,0,0,0,0|3,0,0]=4 3123 B13R0.54 C=C(C)CCOCCCCCCOC 7a_200012092642_100000730704 [0,1,0,0,0,0|3,0,0]=4 3124 B13R0.54 C=C(C)CCOCCCOCCCC 34a_200011215613_100000730704 [0,1,0,0,0,0|3,0,0]=4 3125 B13R0.54 C=C(C)CCOCCCOCCCC 7a_200011215613_100000730704 [0,1,0,0,0,0|3,0,0]=4 3126 B13R0.54 C=C(C)CCOCCNCCCCC 34a_100000224656_100000730704 [0,1,0,0,0,0|3,0,0]=4 3127 B13R0.54 C=C(C)CCOCCOCCCCC 34a_100011215259_100000730704 [0,1,0,0,0,0|3,0,0]=4 3128 B13R0.54 C=C(C)CCOCCOCCCCC 7a_100011215259_100000730704 [0,1,0,0,0,0|3,0,0]=4 3129 B13R0.54 C=C(C)CCSCCCCCCCC 62a_100000210759_100000730704 [0,1,0,0,0,0|2,0,0]=3 3130 B13R0.54 C=C(C)CCSCCCCCCCC 62a_100000730704_100000210317 [0,1,0,0,0,0|2,0,0]=3 3131 B13R0.54 C=C(C)CCSCCCCCCCO 62a_100000730704_100000760002 [0,1,0,0,0,0|3,0,0]=4 3132 B13R0.54 C=C(C)CCSCCCCCCCO 62a_100000760002_100000730704 [0,1,0,0,0,0|3,0,0]=4 3133 B13R0.54 C=C(C)CCSCCCCCCOC 62a_100000730704_100011998445 [0,1,0,0,0,0|3,0,0]=4 3134 B13R0.54 C=C(C)CCSCCCCCCOC 62a_100011998445_100000730704 [0,1,0,0,0,0|3,0,0]=4 3135 B13R0.54 C=C(C)CNCCCCCCCCC 2230a_100000212291_100000748629 [0,1,0,0,0,0|2,0,0]=3 3136 B13R0.54 C=C(C)CNCCCCCCCCC 34a_100000212291_100000748629 [0,1,0,0,0,0|2,0,0]=3 3137 B13R0.54 C=C(C)CNCCCCCCCCO 2230a_102515433106_100000748629 [0,1,0,0,0,0|3,0,0]=4 3138 B13R0.54 C=C(C)CNCCCCCCCCO 34a_102515433106_100000748629 [0,1,0,0,0,0|3,0,0]=4 3139 B13R0.54 C=C(C)COCCCCCCCCBr 34a_100009813846_100000748629 [0,1,0,0,0,0|3,0,0]=4 3140 B13R0.54 C=C(C)COCCCCCCCCBr 7a_100009813846_100000748629 [0,1,0,0,0,0|3,0,0]=4 3141 B13R0.54 C=C(C)COCCCCCCCCC 34a_100000210245_100011214924 [0,1,0,0,0,0|2,0,0]=3 3142 B13R0.54 C=C(C)COCCCCCCCCC 34a_100000210712_100000748629 [0,1,0,0,0,0|2,0,0]=3 3143 B13R0.54 C=C(C)COCCCCCCCCC 7a_100000210712_100000748629 [0,1,0,0,0,0|2,0,0]=3 3144 B13R0.54 C=C(C)COCCCCCCCCCl 34a_100000033203_100000748629 [0,1,0,0,0,0|3,0,0]=4 3145 B13R0.54 C=C(C)COCCCCCCCCCl 7a_100000033203_100000748629 [0,1,0,0,0,0|3,0,0]=4 3146 B13R0.54 C=C(C)COCCCCCCCCN 34a_102515433106_100000748629 [0,1,0,0,0,0|3,0,0]=4 3147 B13R0.54 C=C(C)COCCCCCCCCO 34a_100000210245_100000033203 [0,1,0,0,0,0|3,0,0]=4 3148 B13R0.54 C=C(C)COCCCCNCCCC 34a_200011216965_100000748629 [0,1,0,0,0,0|3,0,0]=4 3149 B13R0.54 C=C(C)COCCCCOCCCC 34a_200000760531_100000748629 [0,1,0,0,0,0|3,0,0]=4 3150 B13R0.54 C=C(C)COCCCCOCCCC 7a_200000760531_100000748629 [0,1,0,0,0,0|3,0,0]=4 3151 B13R0.54 C=C(C)COCCOCCCCCC 34a_100000691444_100000748629 [0,1,0,0,0,0|3,0,0]=4 3152 B13R0.54 C=C(C)COCCOCCCCCC 7a_100000691444_100000748629 [0,1,0,0,0,0|3,0,0]=4 3153 B13R0.54 C=C(C)CSCCCCCCCCC 62a_100000748629_100000210670 [0,1,0,0,0,0|2,0,0]=3 3154 B13R0.54 C=C(C)CSCCCCCCCCO 62a_100000033203_100000211660 [0,1,0,0,0,0|3,0,0]=4 3155 B13R0.54 C=C(C)CSCCCCCCCCO 62a_100000748629_100000033203 [0,1,0,0,0,0|3,0,0]=4 3156 B13R0.54 C=C(F)CNCCCCCCCCC 2230a_100000212291_100009893438 [0,1,0,0,0,0|2,0,0]=3 3157 B13R0.54 C=C(F)CNCCCCCCCCC 34a_100000212291_100009893438 [0,1,0,0,0,0|2,0,0]=3 3158 B13R0.54 C=C(F)CNCCCCCCCCO 2230a_102515433106_100009893438 [0,1,0,0,0,0|3,0,0]=4 3159 B13R0.54 C=C(F)CNCCCCCCCCO 34a_102515433106_100009893438 [0,1,0,0,0,0|3,0,0]=4 3160 B13R0.54 C=C(F)COCCCCCCCCBr 34a_100009813846_100009893438 [0,1,0,0,0,0|3,0,0]=4 3161 B13R0.54 C=C(F)COCCCCCCCCBr 7a_100009813846_100000042424 [0,1,0,0,0,0|3,0,0]=4 3162 B13R0.54 C=C(F)COCCCCCCCCC 34a_100000210712_100009893438 [0,1,0,0,0,0|2,0,0]=3 3163 B13R0.54 C=C(F)COCCCCCCCCC 34a_200010262243_100011214924 [0,1,0,0,0,0|2,0,0]=3 3164 B13R0.54 C=C(F)COCCCCCCCCC 7a_100000210712_100000042424 [0,1,0,0,0,0|2,0,0]=3 3165 B13R0.54 C=C(F)COCCCCCCCCCl 34a_100000033203_100009893438 [0,1,0,0,0,0|3,0,0]=4 3166 B13R0.54 C=C(F)COCCCCCCCCCl 7a_100000033203_100000042424 [0,1,0,0,0,0|3,0,0]=4 3167 B13R0.54 C=C(F)COCCCCCCCCN 34a_102515433106_100009893438 [0,1,0,0,0,0|3,0,0]=4 3168 B13R0.54 C=C(F)COCCCCCCCCO 34a_200010262243_100000033203 [0,1,0,0,0,0|3,0,0]=4 3169 B13R0.54 C=C(F)COCCCCNCCCC 34a_200011216965_100009893438 [0,1,0,0,0,0|3,0,0]=4 3170 B13R0.54 C=C(F)COCCCCOCCCC 34a_200000760531_100009893438 [0,1,0,0,0,0|3,0,0]=4 3171 B13R0.54 C=C(F)COCCCCOCCCC 7a_200000760531_100000042424 [0,1,0,0,0,0|3,0,0]=4 3172 B13R0.54 C=C(F)COCCOCCCCCC 34a_100000691444_100009893438 [0,1,0,0,0,0|3,0,0]=4 3173 B13R0.54 C=C(F)COCCOCCCCCC 7a_100000691444_100000042424 [0,1,0,0,0,0|3,0,0]=4 3174 B13R0.54 C=C(F)CSCCCCCCCCC 62a_100000042424_100000210670 [0,1,0,0,0,0|2,0,0]=3 3175 B13R0.54 C=C(F)CSCCCCCCCCO 62a_100000033203_100000042424 [0,1,0,0,0,0|3,0,0]=4 3176 B13R0.54 C=C(F)CSCCCCCCCCO 62a_100000042424_100000033203 [0,1,0,0,0,0|3,0,0]=4 3177 B13R0.54 C=CCCCCCCCCCC(=O)C 1458a_100000070787_100009814027 [0,1,0,0,0,0|1,0,1]=3 3178 B13R0.54 C=CCCCCCCCNCC(=O)N 2230a_100000711301_100012355270 [0,1,0,0,0,0|1,0,2]=4 3179 B13R0.54 C=CCCCCCCCNCC(=O)O 269956a_100016091260_100012355270 [0,1,0,0,0,0|0,0,2]=3 3180 B13R0.54 C=CCCCCCCCOCC(=O)C 34a_100000211253_100012355270 [0,1,0,0,0,0|1,0,2]=4 3181 B13R0.54 C=CCCCCCCCOCC(=O)N 34a_100000730831_100000187820 [0,1,0,0,0,0|1,0,2]=4 3182 B13R0.54 C=CCCCCCCCOCC(=O)N 7a_100000730831_100000187820 [0,1,0,0,0,0|1,0,2]=4 3183 B13R0.54 C=CCCCCCCCOCC(=O)[O-] 34a_100000730831_100020667443 [0,1,0,0,0,0|0,0,3]=4 3184 B13R0.54 C=CCCCCCCCSCC(=O)N 62a_100000747473_100012355270 [0,1,0,0,0,0|1,0,2]=4 3185 B13R0.54 C=CCCCCCCCSCC(=O)N 62a_100012355270_100000747473 [0,1,0,0,0,0|1,0,2]=4 3186 B13R0.54 C=CCCCCCCCSCC(=O)[O-] 62a_100012355270_100020667443 [0,1,0,0,0,0|0,0,3]=4 3187 B13R0.54 C=CCCCCCCCSCC(=O)[O-] 62a_100020667443_100012355270 [0,1,0,0,0,0|0,0,3]=4 3188 B13R0.54 C=CCCCCCCNOCC(=O)O 269956a_100000106656_100011215473 [0,1,0,0,0,0|1,0,2]=4 3189 B13R0.54 C=CCCCCCCOCCC(=O)C 34a_100000759926_100011215473 [0,1,0,0,0,0|1,0,2]=4 3190 B13R0.54 C=CCCCCCCOCCC(=O)C 7a_100000759926_100011215473 [0,1,0,0,0,0|1,0,2]=4 3191 B13R0.54 C=CCCCCCCOCCC(=O)C 7a_200011216477_100000053229 [0,1,0,0,0,0|1,0,2]=4 3192 B13R0.54 C=CCCCCCCOCCC(=O)N 34a_100000757172_100011215473 [0,1,0,0,0,0|1,0,2]=4 3193 B13R0.54 C=CCCCCCCOCCC(=O)N 34a_200011216477_100000731001 [0,1,0,0,0,0|1,0,2]=4 3194 B13R0.54 C=CCCCCCCOCCC(=O)N 7a_100000757172_100011215473 [0,1,0,0,0,0|1,0,2]=4 3195 B13R0.54 C=CCCCCCCOCCC(=O)N 7a_200011216477_100000744528 [0,1,0,0,0,0|1,0,2]=4 3196 B13R0.54 C=CCCCCCCSCCC(=O)C 62a_100000053229_100011215473 [0,1,0,0,0,0|1,0,2]=4 3197 B13R0.54 C=CCCCCCCSCCC(=O)C 62a_100011215473_100000053229 [0,1,0,0,0,0|1,0,2]=4 3198 B13R0.54 C=CCCCCCCSCCC(=O)N 62a_100000744528_100011215473 [0,1,0,0,0,0|1,0,2]=4 3199 B13R0.54 C=CCCCCCCSCCC(=O)N 62a_100011215473_100000744528 [0,1,0,0,0,0|1,0,2]=4 3200 B13R0.54 C=CCCCCCNCCCC(=O)N 34a_100000739312_100000700193 [0,1,0,0,0,0|1,0,2]=4 3201 B13R0.54 C=CCCCCCOCCCC(=O)C 34a_100000759063_100000700193 [0,1,0,0,0,0|1,0,2]=4 3202 B13R0.54 C=CCCCCCOCCCC(=O)C 34a_100011216702_100000685027 [0,1,0,0,0,0|1,0,2]=4 3203 B13R0.54 C=CCCCCCOCCCC(=O)C 7a_100000759063_100000700193 [0,1,0,0,0,0|1,0,2]=4 3204 B13R0.54 C=CCCCCCOCCCC(=O)C 7a_100011216702_100011215641 [0,1,0,0,0,0|1,0,2]=4 3205 B13R0.54 C=CCCCCCOCCCC(=O)N 34a_100011216702_100102525003 [0,1,0,0,0,0|1,0,2]=4 3206 B13R0.54 C=CCCCCCOCCCC(=O)N 7a_100011216702_100102525003 [0,1,0,0,0,0|1,0,2]=4 3207 B13R0.54 C=CCCCCCSCCCC(=O)C 62a_100000700193_100011215641 [0,1,0,0,0,0|1,0,2]=4 3208 B13R0.54 C=CCCCCCSCCCC(=O)C 62a_100011215641_100000700193 [0,1,0,0,0,0|1,0,2]=4 3209 B13R0.54 C=CCCCCCSCCCC(=O)N 62a_100000700193_100102525003 [0,1,0,0,0,0|1,0,2]=4 3210 B13R0.54 C=CCCCCCSCCCC(=O)N 62a_100102525003_100000700193 [0,1,0,0,0,0|1,0,2]=4 3211 B13R0.54 C=CCCCCNCCCCC(=O)C 34a_100000703577_100009817362 [0,1,0,0,0,0|1,0,2]=4 3212 B13R0.54 C=CCCCCNCCCCC(=O)N 34a_100000696515_100011215482 [0,1,0,0,0,0|1,0,2]=4 3213 B13R0.54 C=CCCCCNCCOCC(=O)O 269956a_100000700818_100011215482 [0,1,0,0,0,0|1,0,2]=4 3214 B13R0.54 C=CCCCCOCCCCC(=O)C 34a_100000766645_100009817362 [0,1,0,0,0,0|1,0,2]=4 3215 B13R0.54 C=CCCCCOCCCCC(=O)C 7a_100000766645_100000735457 [0,1,0,0,0,0|1,0,2]=4 3216 B13R0.54 C=CCCCCOCCCCC(=O)N 34a_100012022536_100011215482 [0,1,0,0,0,0|1,0,2]=4 3217 B13R0.54 C=CCCCCOCCCCC(=O)N 7a_100012022536_100011215482 [0,1,0,0,0,0|1,0,2]=4 3218 B13R0.54 C=CCCCCSCCCCC(=O)C 62a_100000735457_100011215482 [0,1,0,0,0,0|1,0,2]=4 3219 B13R0.54 C=CCCCCSCCCCC(=O)C 62a_100011215482_100000735457 [0,1,0,0,0,0|1,0,2]=4 3220 B13R0.54 C=CCCCNCCCCCC(=O)N 2230a_100000700776_100009817443 [0,1,0,0,0,0|1,0,2]=4 3221 B13R0.54 C=CCCCNCCCCCC(=O)N 34a_100000700776_100009817443 [0,1,0,0,0,0|1,0,2]=4 3222 B13R0.54 C=CCCCOCCCCCC(=O)N 34a_100000123541_100000757094 [0,1,0,0,0,0|1,0,2]=4 3223 B13R0.54 C=CCCCOCCCCCC(=O)N 34a_100000758997_100009817443 [0,1,0,0,0,0|1,0,2]=4 3224 B13R0.54 C=CCCCOCCCCCC(=O)N 7a_100000123541_100000757094 [0,1,0,0,0,0|1,0,2]=4 3225 B13R0.54 C=CCCCOCCCCCC(=O)N 7a_100000758997_100009817443 [0,1,0,0,0,0|1,0,2]=4 3226 B13R0.54 C=CCCCOCCCCCC(=O)[O-] 7a_100102619762_100000757094 [0,1,0,0,0,0|0,0,3]=4 3227 B13R0.54 C=CCCCSCCCCCC(=O)N 62a_100009817443_100000757094 [0,1,0,0,0,0|1,0,2]=4 3228 B13R0.54 C=CCCCSCCCCCC(=O)N 62a_100011713584_100009817443 [0,1,0,0,0,0|1,0,2]=4 3229 B13R0.54 CC#CCCOCCCCCC(=O)N 34a_100000750427_100009817443 [0,1,0,0,0,0|1,0,2]=4 3230 B13R0.54 CC(=O)CCCCCCCCCCO 1458a_100000070787_100009813290 [0,1,0,0,0,0|1,0,0]=2 3231 B13R0.54 CC(=O)CCCCNCCCCCO 34a_100000762737_100009817362 [0,1,0,0,0,0|2,0,0]=3 3232 B13R0.54 CC(=O)CCCCNCCOCCO 34a_100000211614_100009817362 [0,1,0,0,0,0|3,0,0]=4 3233 B13R0.54 CC(=O)CCCCOCCCCCBr 34a_100000746331_100009817362 [0,1,0,0,0,0|2,0,0]=3 3234 B13R0.54 CC(=O)CCCCOCCCCCBr 7a_100000746331_100000735457 [0,1,0,0,0,0|2,0,0]=3 3235 B13R0.54 CC(=O)CCCCOCCCCCCl 34a_100000746330_100009817362 [0,1,0,0,0,0|2,0,0]=3 3236 B13R0.54 CC(=O)CCCCOCCCCCCl 7a_100000746330_100000735457 [0,1,0,0,0,0|2,0,0]=3 3237 B13R0.54 CC(=O)CCCCOCCCCCI 34a_200012148887_100009817362 [0,1,0,0,0,0|2,0,0]=3 3238 B13R0.54 CC(=O)CCCCOCCCCCI 7a_200012148887_100000735457 [0,1,0,0,0,0|2,0,0]=3 3239 B13R0.54 CC(=O)CCCCOCCCCCN 34a_100000762737_100009817362 [0,1,0,0,0,0|2,0,0]=3 3240 B13R0.54 CC(=O)CCCCOCCOCCBr 34a_100000692535_100009817362 [0,1,0,0,0,0|3,0,0]=4 3241 B13R0.54 CC(=O)CCCCOCCOCCBr 7a_100000692535_100000735457 [0,1,0,0,0,0|3,0,0]=4 3242 B13R0.54 CC(=O)CCCCOCCOCCCl 34a_100011215305_100009817362 [0,1,0,0,0,0|3,0,0]=4 3243 B13R0.54 CC(=O)CCCCOCCOCCCl 7a_100011215305_100000735457 [0,1,0,0,0,0|3,0,0]=4 3244 B13R0.54 CC(=O)CCCCOCCOCCF 34a_200015357709_100009817362 [0,1,0,0,0,0|3,0,0]=4 3245 B13R0.54 CC(=O)CCCCOCCOCCF 7a_200015357709_100000735457 [0,1,0,0,0,0|3,0,0]=4 3246 B13R0.54 CC(=O)CCCCOCCOCCI 34a_100012149058_100009817362 [0,1,0,0,0,0|3,0,0]=4 3247 B13R0.54 CC(=O)CCCCOCCOCCI 7a_100012149058_100000735457 [0,1,0,0,0,0|3,0,0]=4 3248 B13R0.54 CC(=O)CCCCOCCOCCN 34a_100000211614_100009817362 [0,1,0,0,0,0|3,0,0]=4 3249 B13R0.54 CC(=O)CCCCSCCCCC#N 62a_100000735457_100000211819 [0,1,0,0,0,0|2,0,1]=4 3250 B13R0.54 CC(=O)CCCCSCCCCC#N 62a_100011219923_100000735457 [0,1,0,0,0,0|2,0,1]=4 3251 B13R0.54 CC(=O)CCCCSCCCCC=O 62a_100000139335_100000735457 [0,1,0,0,0,0|2,0,1]=4 3252 B13R0.54 CC(=O)CCCCSCCCCC=O 62a_100000735457_100000139335 [0,1,0,0,0,0|2,0,1]=4 3253 B13R0.54 CC(=O)CCCCSCCCCCF 62a_100000729378_100000735457 [0,1,0,0,0,0|2,0,0]=3 3254 B13R0.54 CC(=O)CCCCSCCCCCF 62a_100000735457_100000729378 [0,1,0,0,0,0|2,0,0]=3 3255 B13R0.54 CC(=O)CCCCSCCCCCO 62a_100000735457_100000746330 [0,1,0,0,0,0|2,0,0]=3 3256 B13R0.54 CC(=O)CCCCSCCCCCO 62a_100000746330_100000735457 [0,1,0,0,0,0|2,0,0]=3 3257 B13R0.54 CC(=O)CCCCSCCOCCO 62a_100000735457_100011215305 [0,1,0,0,0,0|3,0,0]=4 3258 B13R0.54 CC(=O)CCCCSCCOCCO 62a_100011215305_100000735457 [0,1,0,0,0,0|3,0,0]=4 3259 B13R0.54 CC(=O)CCCNCCCCCCO 34a_100000686447_100000685027 [0,1,0,0,0,0|2,0,0]=3 3260 B13R0.54 CC(=O)CCCOCCCCCC#N 7a_100000759063_100009813376 [0,1,0,0,0,0|2,0,1]=4 3261 B13R0.54 CC(=O)CCCOCCCCCC=O 7a_100000759063_100000139337 [0,1,0,0,0,0|2,0,1]=4 3262 B13R0.54 CC(=O)CCCOCCCCCCBr 34a_100011215345_100000685027 [0,1,0,0,0,0|2,0,0]=3 3263 B13R0.54 CC(=O)CCCOCCCCCCBr 7a_100011215345_100011215641 [0,1,0,0,0,0|2,0,0]=3 3264 B13R0.54 CC(=O)CCCOCCCCCCCl 34a_100000766143_100000685027 [0,1,0,0,0,0|2,0,0]=3 3265 B13R0.54 CC(=O)CCCOCCCCCCCl 7a_100000766143_100011215641 [0,1,0,0,0,0|2,0,0]=3 3266 B13R0.54 CC(=O)CCCOCCCCCCF 34a_100000732779_100000685027 [0,1,0,0,0,0|2,0,0]=3 3267 B13R0.54 CC(=O)CCCOCCCCCCF 34a_100000759063_100015922095 [0,1,0,0,0,0|2,0,0]=3 3268 B13R0.54 CC(=O)CCCOCCCCCCF 7a_100000732779_100011215641 [0,1,0,0,0,0|2,0,0]=3 3269 B13R0.54 CC(=O)CCCOCCCCCCF 7a_100000759063_100015922095 [0,1,0,0,0,0|2,0,0]=3 3270 B13R0.54 CC(=O)CCCOCCCCCCN 34a_100000686447_100000685027 [0,1,0,0,0,0|2,0,0]=3 3271 B13R0.54 CC(=O)CCCOCCCCCCO 34a_100000759063_100000766143 [0,1,0,0,0,0|2,0,0]=3 3272 B13R0.54 CC(=O)CCCOCCCCCCO 7a_100000759063_100000766143 [0,1,0,0,0,0|2,0,0]=3 3273 B13R0.54 CC(=O)CCCSCCCCCC#N 62a_100009813376_100011215641 [0,1,0,0,0,0|2,0,1]=4 3274 B13R0.54 CC(=O)CCCSCCCCCC#N 62a_100011215641_100009813376 [0,1,0,0,0,0|2,0,1]=4 3275 B13R0.54 CC(=O)CCCSCCCCCC=O 62a_100000139337_100011215641 [0,1,0,0,0,0|2,0,1]=4 3276 B13R0.54 CC(=O)CCCSCCCCCC=O 62a_100011215641_100000139337 [0,1,0,0,0,0|2,0,1]=4 3277 B13R0.54 CC(=O)CCCSCCCCCCF 62a_100011215641_100015922095 [0,1,0,0,0,0|2,0,0]=3 3278 B13R0.54 CC(=O)CCCSCCCCCCF 62a_100015922095_100011215641 [0,1,0,0,0,0|2,0,0]=3 3279 B13R0.54 CC(=O)CCCSCCCCCCO 62a_100000766143_100011215641 [0,1,0,0,0,0|2,0,0]=3 3280 B13R0.54 CC(=O)CCCSCCCCCCO 62a_100011215641_100000766143 [0,1,0,0,0,0|2,0,0]=3 3281 B13R0.54 CC(=O)CCOCCCCCCC#N 7a_100000759926_100009813337 [0,1,0,0,0,0|2,0,1]=4 3282 B13R0.54 CC(=O)CCOCCCCCCCBr 7a_100000760002_100000053229 [0,1,0,0,0,0|2,0,0]=3 3283 B13R0.54 CC(=O)CCOCCCCCCCO 34a_100000759926_100000760002 [0,1,0,0,0,0|2,0,0]=3 3284 B13R0.54 CC(=O)CCOCCCCCCCO 7a_100000759926_100000760002 [0,1,0,0,0,0|2,0,0]=3 3285 B13R0.54 CC(=O)CCSCCCCCCC#N 62a_100000053229_100009813337 [0,1,0,0,0,0|2,0,1]=4 3286 B13R0.54 CC(=O)CCSCCCCCCC#N 62a_100009813337_100000053229 [0,1,0,0,0,0|2,0,1]=4 3287 B13R0.54 CC(=O)CCSCCCCCCCO 62a_100000053229_100000760002 [0,1,0,0,0,0|2,0,0]=3 3288 B13R0.54 CC(=O)CCSCCCCCCCO 62a_100000760002_100000053229 [0,1,0,0,0,0|2,0,0]=3 3289 B13R0.54 CC(=O)COCCCCCCCCO 34a_100000211253_100000033203 [0,1,0,0,0,0|2,0,0]=3 3290 B13R0.54 CC(=O)NCCCCCCCCCO 240690a_100000078944_100015343762 [0,1,0,0,0,0|2,0,0]=3 3291 B13R0.54 CC(=O)NCCCCCCNCCF 2230a_200011996284_100011217306 [0,1,0,0,0,0|3,0,0]=4 3292 B13R0.54 CC(=O)NCCCCCCNCCF 34a_200011996284_100011217306 [0,1,0,0,0,0|3,0,0]=4 3293 B13R0.54 CC(=O)NCCCCCCNCCO 2230a_200011996284_100000211926 [0,1,0,0,0,0|3,0,0]=4 3294 B13R0.54 CC(=O)NCCCCCCNCCO 34a_200011996284_100000211926 [0,1,0,0,0,0|3,0,0]=4 3295 B13R0.54 CC(=O)NCCCCCNCCCF 2230a_200012022750_100011934791 [0,1,0,0,0,0|3,0,0]=4 3296 B13R0.54 CC(=O)NCCCCCNCCCF 34a_200012022750_100011934791 [0,1,0,0,0,0|3,0,0]=4 3297 B13R0.54 CC(=O)NCCCCCNCCCO 2230a_200012022750_100000230001 [0,1,0,0,0,0|3,0,0]=4 3298 B13R0.54 CC(=O)NCCCCCNCCCO 34a_200012022750_100000230001 [0,1,0,0,0,0|3,0,0]=4 3299 B13R0.54 CC(=O)NCCCCNCCCCF 2230a_200011368371_100000729493 [0,1,0,0,0,0|3,0,0]=4 3300 B13R0.54 CC(=O)NCCCCNCCCCF 34a_200011368371_100000729493 [0,1,0,0,0,0|3,0,0]=4 3301 B13R0.54 CC(=O)NCCCCNCCCCO 2230a_200011368371_100000210776 [0,1,0,0,0,0|3,0,0]=4 3302 B13R0.54 CC(=O)NCCCCNCCCCO 34a_200011368371_100011216708 [0,1,0,0,0,0|3,0,0]=4 3303 B13R0.54 CC(=O)NCCCNCCCCCF 34a_100000736810_100000729378 [0,1,0,0,0,0|3,0,0]=4 3304 B13R0.54 CC(=O)NCCCNCCCCCO 34a_100000736810_100000746330 [0,1,0,0,0,0|3,0,0]=4 3305 B13R0.54 CC(=O)NCCCOCCCCCF 34a_100000752032_100000729378 [0,1,0,0,0,0|3,0,0]=4 3306 B13R0.54 CC(=O)NCCCOCCCCCO 34a_100000752032_100000746330 [0,1,0,0,0,0|3,0,0]=4 3307 B13R0.54 CC(=O)NCCNCCCCCCF 2230a_100000209853_100015922095 [0,1,0,0,0,0|3,0,0]=4 3308 B13R0.54 CC(=O)NCCNCCCCCCO 2230a_100000209853_100000766143 [0,1,0,0,0,0|3,0,0]=4 3309 B13R0.54 CC(=O)NCCNCCCCCCO 2230a_100000686447_100000189650 [0,1,0,0,0,0|3,0,0]=4 3310 B13R0.54 CC(=O)NCCOCCCCCCBr 7a_100011215345_100000189650 [0,1,0,0,0,0|3,0,0]=4 3311 B13R0.54 CC(=O)NCCOCCCCCCCl 7a_100000766143_100000189650 [0,1,0,0,0,0|3,0,0]=4 3312 B13R0.54 CC(=O)NCCOCCCCCCF 34a_100000158858_100015922095 [0,1,0,0,0,0|3,0,0]=4 3313 B13R0.54 CC(=O)NCCOCCCCCCF 7a_100000732779_100000189650 [0,1,0,0,0,0|3,0,0]=4 3314 B13R0.54 CC(=O)NCCOCCCCCCO 34a_100000158858_100000766143 [0,1,0,0,0,0|3,0,0]=4 3315 B13R0.54 CC(=O)NCCSCCCCCCF 62a_100000189650_100015922095 [0,1,0,0,0,0|3,0,0]=4 3316 B13R0.54 CC(=O)NCCSCCCCCCF 62a_100015922095_100000189650 [0,1,0,0,0,0|3,0,0]=4 3317 B13R0.54 CC(=O)NCCSCCCCCCO 62a_100000189650_100000766143 [0,1,0,0,0,0|3,0,0]=4 3318 B13R0.54 CC(=O)NCCSCCCCCCO 62a_100000766143_100000189650 [0,1,0,0,0,0|3,0,0]=4 3319 B13R0.54 CC(=O)OCCCCCNCCCF 2230a_100015189416_100009813381 [0,1,0,0,0,0|3,0,0]=4 3320 B13R0.54 CC(=O)OCCCCCNCCCF 34a_100015189416_100000033007 [0,1,0,0,0,0|3,0,0]=4 3321 B13R0.54 CC(=O)OCCCCCOCCCBr 34a_100011217188_100000033007 [0,1,0,0,0,0|3,0,0]=4 3322 B13R0.54 CC(=O)OCCCCCOCCCCl 34a_100000230001_100000033007 [0,1,0,0,0,0|3,0,0]=4 3323 B13R0.54 CC(=O)OCCCCCOCCCF 34a_100000759539_100000033007 [0,1,0,0,0,0|3,0,0]=4 3324 B13R0.54 CC(=O)OCCCCCOCCCN 34a_100000182051_100000033007 [0,1,0,0,0,0|3,0,0]=4 3325 B13R0.54 CC(=O)OCCCCCSCCCF 62a_100000033007_100011934791 [0,1,0,0,0,0|3,0,0]=4 3326 B13R0.54 CC(=O)OCCCCCSCCCF 62a_100011934791_100000033007 [0,1,0,0,0,0|3,0,0]=4 3327 B13R0.54 CC(=O)OCCCCCSCCCO 62a_100000033007_100011215043 [0,1,0,0,0,0|3,0,0]=4 3328 B13R0.54 CC(=O)OCCCCCSCCCO 62a_100011215043_100000033007 [0,1,0,0,0,0|3,0,0]=4 3329 B13R0.54 CC(=O)OCCCCNCCCCO 34a_100000750430_100000033659 [0,1,0,0,0,0|3,0,0]=4 3330 B13R0.54 CC(=O)OCCCCOCCCCBr 34a_100011216708_100000033659 [0,1,0,0,0,0|3,0,0]=4 3331 B13R0.54 CC(=O)OCCCCOCCCCCl 34a_100000210776_100000033659 [0,1,0,0,0,0|3,0,0]=4 3332 B13R0.54 CC(=O)OCCCCOCCCCCl 7a_100000210776_100000033659 [0,1,0,0,0,0|3,0,0]=4 3333 B13R0.54 CC(=O)OCCCCOCCCCF 34a_100000073216_100000729493 [0,1,0,0,0,0|3,0,0]=4 3334 B13R0.54 CC(=O)OCCCCOCCCCF 34a_100011995726_100000033659 [0,1,0,0,0,0|3,0,0]=4 3335 B13R0.54 CC(=O)OCCCCOCCCCF 7a_100000073216_100000729493 [0,1,0,0,0,0|3,0,0]=4 3336 B13R0.54 CC(=O)OCCCCOCCCCF 7a_100011995726_100000033659 [0,1,0,0,0,0|3,0,0]=4 3337 B13R0.54 CC(=O)OCCCCOCCCCI 34a_200012148704_100000033659 [0,1,0,0,0,0|3,0,0]=4 3338 B13R0.54 CC(=O)OCCCCOCCCCN 34a_100000750430_100000033659 [0,1,0,0,0,0|3,0,0]=4 3339 B13R0.54 CC(=O)OCCCCOCCCCO 34a_100000073216_100011216708 [0,1,0,0,0,0|3,0,0]=4 3340 B13R0.54 CC(=O)OCCCCOCCCCO 7a_100000073216_100000210776 [0,1,0,0,0,0|3,0,0]=4 3341 B13R0.54 CC(=O)OCCCCSCCCCF 62a_100000033659_100000729493 [0,1,0,0,0,0|3,0,0]=4 3342 B13R0.54 CC(=O)OCCCCSCCCCF 62a_100000729493_100000033659 [0,1,0,0,0,0|3,0,0]=4 3343 B13R0.54 CC(=O)OCCCCSCCCCO 62a_100000033659_100000210776 [0,1,0,0,0,0|3,0,0]=4 3344 B13R0.54 CC(=O)OCCCCSCCCCO 62a_100000210776_100000033659 [0,1,0,0,0,0|3,0,0]=4 3345 B13R0.54 CC(=O)OCCCNCCCCCO 34a_100000762737_100000042594 [0,1,0,0,0,0|3,0,0]=4 3346 B13R0.54 CC(=O)OCCCOCCCCCBr 34a_100000746331_100000042594 [0,1,0,0,0,0|3,0,0]=4 3347 B13R0.54 CC(=O)OCCCOCCCCCBr 7a_100000746331_100000042594 [0,1,0,0,0,0|3,0,0]=4 3348 B13R0.54 CC(=O)OCCCOCCCCCCl 34a_100000746330_100000042594 [0,1,0,0,0,0|3,0,0]=4 3349 B13R0.54 CC(=O)OCCCOCCCCCCl 7a_100000746330_100000042594 [0,1,0,0,0,0|3,0,0]=4 3350 B13R0.54 CC(=O)OCCCOCCCCCI 34a_200012148887_100000042594 [0,1,0,0,0,0|3,0,0]=4 3351 B13R0.54 CC(=O)OCCCOCCCCCI 7a_200012148887_100000042594 [0,1,0,0,0,0|3,0,0]=4 3352 B13R0.54 CC(=O)OCCCOCCCCCN 34a_100000762737_100000042594 [0,1,0,0,0,0|3,0,0]=4 3353 B13R0.54 CC(=O)OCCCSCCCCCF 62a_100000042594_100000729378 [0,1,0,0,0,0|3,0,0]=4 3354 B13R0.54 CC(=O)OCCCSCCCCCF 62a_100000729378_100000042594 [0,1,0,0,0,0|3,0,0]=4 3355 B13R0.54 CC(=O)OCCCSCCCCCO 62a_100000042594_100000746330 [0,1,0,0,0,0|3,0,0]=4 3356 B13R0.54 CC(=O)OCCCSCCCCCO 62a_100000746330_100000042594 [0,1,0,0,0,0|3,0,0]=4 3357 B13R0.54 CC(=O)OCCNCCCCCCO 34a_100000686447_100009814007 [0,1,0,0,0,0|3,0,0]=4 3358 B13R0.54 CC(=O)OCCOCCCCCCBr 34a_100011215345_100009814007 [0,1,0,0,0,0|3,0,0]=4 3359 B13R0.54 CC(=O)OCCOCCCCCCBr 7a_100011215345_100009814007 [0,1,0,0,0,0|3,0,0]=4 3360 B13R0.54 CC(=O)OCCOCCCCCCCl 34a_100000766143_100009814007 [0,1,0,0,0,0|3,0,0]=4 3361 B13R0.54 CC(=O)OCCOCCCCCCCl 7a_100000766143_100009814007 [0,1,0,0,0,0|3,0,0]=4 3362 B13R0.54 CC(=O)OCCOCCCCCCF 34a_100000732779_100009814007 [0,1,0,0,0,0|3,0,0]=4 3363 B13R0.54 CC(=O)OCCOCCCCCCF 7a_100000732779_100009814007 [0,1,0,0,0,0|3,0,0]=4 3364 B13R0.54 CC(=O)OCCOCCCCCCN 34a_100000686447_100009814007 [0,1,0,0,0,0|3,0,0]=4 3365 B13R0.54 CC(=O)OCCSCCCCCCF 62a_100009814007_100015922095 [0,1,0,0,0,0|3,0,0]=4 3366 B13R0.54 CC(=O)OCCSCCCCCCF 62a_100015922095_100009814007 [0,1,0,0,0,0|3,0,0]=4 3367 B13R0.54 CC(=O)OCCSCCCCCCO 62a_100000766143_100009814007 [0,1,0,0,0,0|3,0,0]=4 3368 B13R0.54 CC(=O)OCCSCCCCCCO 62a_100009814007_100000766143 [0,1,0,0,0,0|3,0,0]=4 3369 B13R0.54 CC(=O)OCNCCCCCCCO 34a_100011996573_100009813279 [0,1,0,0,0,0|3,0,0]=4 3370 B13R0.54 CC(=O)OCOCCCCCCCBr 34a_100000760002_100009813279 [0,1,0,0,0,0|3,0,0]=4 3371 B13R0.54 CC(=O)OCOCCCCCCCN 34a_100011996573_100009813279 [0,1,0,0,0,0|3,0,0]=4 3372 B13R0.54 CC(=O)OCSCCCCCCCO 62a_100000076356_100000760002 [0,1,0,0,0,0|3,0,0]=4 3373 B13R0.54 CC(=O)OCSCCCCCCCO 62a_100000760002_100000076356 [0,1,0,0,0,0|3,0,0]=4 3374 B13R0.54 CC(=O)SCCCCNCCCCO 2230a_100000750430_200010402107 [0,1,0,0,0,0|3,0,0]=4 3375 B13R0.54 CC(=O)SCCCCNCCCCO 34a_100000750430_200010402107 [0,1,0,0,0,0|3,0,0]=4 3376 B13R0.54 CC(=O)SCCCCOCCCCBr 34a_100011216708_200010402107 [0,1,0,0,0,0|3,0,0]=4 3377 B13R0.54 CC(=O)SCCCCOCCCCCl 34a_100000210776_200010402107 [0,1,0,0,0,0|3,0,0]=4 3378 B13R0.54 CC(=O)SCCCCOCCCCCl 7a_100000210776_200010402107 [0,1,0,0,0,0|3,0,0]=4 3379 B13R0.54 CC(=O)SCCCCOCCCCF 34a_100011995726_200010402107 [0,1,0,0,0,0|3,0,0]=4 3380 B13R0.54 CC(=O)SCCCCOCCCCF 7a_100011995726_200010402107 [0,1,0,0,0,0|3,0,0]=4 3381 B13R0.54 CC(=O)SCCCCOCCCCI 34a_200012148704_200010402107 [0,1,0,0,0,0|3,0,0]=4 3382 B13R0.54 CC(=O)SCCCCOCCCCN 34a_100000750430_200010402107 [0,1,0,0,0,0|3,0,0]=4 3383 B13R0.54 CC(=O)SCCCCSCCCCF 62a_100000729493_200010402107 [0,1,0,0,0,0|3,0,0]=4 3384 B13R0.54 CC(=O)SCCCCSCCCCF 62a_200010402107_100000729493 [0,1,0,0,0,0|3,0,0]=4 3385 B13R0.54 CC(=O)SCCCCSCCCCO 62a_100000210776_200010402107 [0,1,0,0,0,0|3,0,0]=4 3386 B13R0.54 CC(=O)SCCCCSCCCCO 62a_200010402107_100000210776 [0,1,0,0,0,0|3,0,0]=4 3387 B13R0.54 CC(=O)SCCCNCCCCCO 2230a_100000762737_100000038929 [0,1,0,0,0,0|3,0,0]=4 3388 B13R0.54 CC(=O)SCCCNCCCCCO 34a_100000762737_100000038929 [0,1,0,0,0,0|3,0,0]=4 3389 B13R0.54 CC(=O)SCCCOCCCCCBr 34a_100000746331_100000038929 [0,1,0,0,0,0|3,0,0]=4 3390 B13R0.54 CC(=O)SCCCOCCCCCBr 7a_100000746331_100000038929 [0,1,0,0,0,0|3,0,0]=4 3391 B13R0.54 CC(=O)SCCCOCCCCCCl 34a_100000746330_100000038929 [0,1,0,0,0,0|3,0,0]=4 3392 B13R0.54 CC(=O)SCCCOCCCCCCl 7a_100000746330_100000038929 [0,1,0,0,0,0|3,0,0]=4 3393 B13R0.54 CC(=O)SCCCOCCCCCI 34a_200012148887_100000038929 [0,1,0,0,0,0|3,0,0]=4 3394 B13R0.54 CC(=O)SCCCOCCCCCI 7a_200012148887_100000038929 [0,1,0,0,0,0|3,0,0]=4 3395 B13R0.54 CC(=O)SCCCOCCCCCN 34a_100000762737_100000038929 [0,1,0,0,0,0|3,0,0]=4 3396 B13R0.54 CC(=O)SCCCSCCCCCF 62a_100000038929_100000729378 [0,1,0,0,0,0|3,0,0]=4 3397 B13R0.54 CC(=O)SCCCSCCCCCF 62a_100000729378_100000038929 [0,1,0,0,0,0|3,0,0]=4 3398 B13R0.54 CC(=O)SCCCSCCCCCO 62a_100000038929_100000746330 [0,1,0,0,0,0|3,0,0]=4 3399 B13R0.54 CC(=O)SCCCSCCCCCO 62a_100000746330_100000038929 [0,1,0,0,0,0|3,0,0]=4 3400 B13R0.54 CC(O)CCCNCCCCCCO 2230a_100000686447_200000718107 [0,1,0,0,0,0|2,0,1]=4 3401 B13R0.54 CC(O)CCCNCCCCCCO 34a_100000686447_200000718107 [0,1,0,0,0,0|2,0,1]=4 3402 B13R0.54 CC(O)CCCOCCCCCCBr 34a_100011215345_200000718107 [0,1,0,0,0,0|2,0,1]=4 3403 B13R0.54 CC(O)CCCOCCCCCCBr 7a_100011215345_200000718107 [0,1,0,0,0,0|2,0,1]=4 3404 B13R0.54 CC(O)CCCOCCCCCCCl 34a_100000766143_200000718107 [0,1,0,0,0,0|2,0,1]=4 3405 B13R0.54 CC(O)CCCOCCCCCCCl 7a_100000766143_200000718107 [0,1,0,0,0,0|2,0,1]=4 3406 B13R0.54 CC(O)CCCOCCCCCCF 34a_100000732779_200000718107 [0,1,0,0,0,0|2,0,1]=4 3407 B13R0.54 CC(O)CCCOCCCCCCF 7a_100000732779_200000718107 [0,1,0,0,0,0|2,0,1]=4 3408 B13R0.54 CC(O)CCCOCCCCCCN 34a_100000686447_200000718107 [0,1,0,0,0,0|2,0,1]=4 3409 B13R0.54 CC(O)CCCSCCCCCCF 62a_100015922095_200000718107 [0,1,0,0,0,0|2,0,1]=4 3410 B13R0.54 CC(O)CCCSCCCCCCF 62a_200000718107_100015922095 [0,1,0,0,0,0|2,0,1]=4 3411 B13R0.54 CC(O)CCCSCCCCCCO 62a_100000766143_200000718107 [0,1,0,0,0,0|2,0,1]=4 3412 B13R0.54 CC(O)CCCSCCCCCCO 62a_200000718107_100000766143 [0,1,0,0,0,0|2,0,1]=4 3413 B13R0.54 CC(O)CCNCCCCCCCO 2230a_100011996573_100012276601 [0,1,0,0,0,0|2,0,1]=4 3414 B13R0.54 CC(O)CCNCCCCCCCO 2230a_200000755665_100000760002 [0,1,0,0,0,0|2,0,1]=4 3415 B13R0.54 CC(O)CCNCCCCCCCO 34a_100011996573_100012276601 [0,1,0,0,0,0|2,0,1]=4 3416 B13R0.54 CC(O)CCOCCCCCCCBr 34a_100000760002_100012276601 [0,1,0,0,0,0|2,0,1]=4 3417 B13R0.54 CC(O)CCOCCCCCCCBr 7a_100000760002_100012276601 [0,1,0,0,0,0|2,0,1]=4 3418 B13R0.54 CC(O)CCOCCCCCCCN 34a_100011996573_100012276601 [0,1,0,0,0,0|2,0,1]=4 3419 B13R0.54 CC(O)CCSCCCCCCCO 62a_100000760002_100012276601 [0,1,0,0,0,0|2,0,1]=4 3420 B13R0.54 CC(O)CCSCCCCCCCO 62a_100012276601_100000760002 [0,1,0,0,0,0|2,0,1]=4 3421 B13R0.54 CC(O)CNCCCCCCCCO 2230a_100000210904_100000033203 [0,1,0,0,0,0|2,0,1]=4 3422 B13R0.54 CC(O)CNCCCCCCCCO 2230a_102515433106_100011218427 [0,1,0,0,0,0|2,0,1]=4 3423 B13R0.54 CC(O)CNCCCCCCCCO 34a_100000210904_100000033203 [0,1,0,0,0,0|2,0,1]=4 3424 B13R0.54 CC(O)CNCCCCCCCCO 34a_102515433106_100011218427 [0,1,0,0,0,0|2,0,1]=4 3425 B13R0.54 CC(O)COCCCCCCCCBr 34a_100009813846_100011218427 [0,1,0,0,0,0|2,0,1]=4 3426 B13R0.54 CC(O)COCCCCCCCCBr 7a_100009813846_100011218427 [0,1,0,0,0,0|2,0,1]=4 3427 B13R0.54 CC(O)COCCCCCCCCCl 34a_100000033203_100011218427 [0,1,0,0,0,0|2,0,1]=4 3428 B13R0.54 CC(O)COCCCCCCCCCl 7a_100000033203_100011218427 [0,1,0,0,0,0|2,0,1]=4 3429 B13R0.54 CC(O)COCCCCCCCCN 34a_102515433106_100011218427 [0,1,0,0,0,0|2,0,1]=4 3430 B13R0.54 CC(O)CSCCCCCCCCO 62a_100000033203_100011218427 [0,1,0,0,0,0|2,0,1]=4 3431 B13R0.54 CC(O)CSCCCCCCCCO 62a_100011218427_100000033203 [0,1,0,0,0,0|2,0,1]=4 3432 B13R0.54 CC/C=C/CCCOCCCC(=O)C 34a_100016287902_100000685027 [0,1,0,0,0,0|1,0,2]=4 3433 B13R0.54 CC/C=C/CCCOCCCC(=O)C 7a_100016287902_100011215641 [0,1,0,0,0,0|1,0,2]=4 3434 B13R0.54 CC/C=C/CCCOCCCC(=O)N 34a_100016287902_100102525003 [0,1,0,0,0,0|1,0,2]=4 3435 B13R0.54 CC/C=C/CCCOCCCC(=O)N 7a_100016287902_100102525003 [0,1,0,0,0,0|1,0,2]=4 3436 B13R0.54 CC/C=C\CCCCCOCC(=O)N 34a_100016268722_100000187820 [0,1,0,0,0,0|1,0,2]=4 3437 B13R0.54 CC/C=C\CCCCCOCC(=O)N 7a_100016268722_100000187820 [0,1,0,0,0,0|1,0,2]=4 3438 B13R0.54 CC/C=C\CCCCCOCC(=O)[O-] 34a_100016268722_100020667443 [0,1,0,0,0,0|0,0,3]=4 3439 B13R0.54 CC/C=C\CCCCOCCC(=O)C 7a_100016287862_100000053229 [0,1,0,0,0,0|1,0,2]=4 3440 B13R0.54 CC/C=C\CCCCOCCC(=O)N 34a_100016287862_100000731001 [0,1,0,0,0,0|1,0,2]=4 3441 B13R0.54 CC/C=C\CCCCOCCC(=O)N 7a_100016287862_100000744528 [0,1,0,0,0,0|1,0,2]=4 3442 B13R0.54 CC/C=C\CCNCCCCC(=O)N 34a_100000696515_100015370543 [0,1,0,0,0,0|1,0,2]=4 3443 B13R0.54 CC/C=C\CCNCCOCC(=O)O 269956a_100000700818_100015370543 [0,1,0,0,0,0|1,0,2]=4 3444 B13R0.54 CC/C=C\CCOCCCCC(=O)C 34a_100016288707_100009817362 [0,1,0,0,0,0|1,0,2]=4 3445 B13R0.54 CC/C=C\CCOCCCCC(=O)C 7a_100016288707_100000735457 [0,1,0,0,0,0|1,0,2]=4 3446 B13R0.54 CC/C=C\CCOCCCCC(=O)N 34a_100012022536_100015370543 [0,1,0,0,0,0|1,0,2]=4 3447 B13R0.54 CC/C=C\CCOCCCCC(=O)N 7a_100012022536_100015370543 [0,1,0,0,0,0|1,0,2]=4 3448 B13R0.54 CC/C=C\CCSCCCCC(=O)C 62a_100000735457_100015370543 [0,1,0,0,0,0|1,0,2]=4 3449 B13R0.54 CC/C=C\CCSCCCCC(=O)C 62a_100015370543_100000735457 [0,1,0,0,0,0|1,0,2]=4 3450 B13R0.54 CC/C=C\COCCCCCC(=O)N 34a_100000123541_100103147603 [0,1,0,0,0,0|1,0,2]=4 3451 B13R0.54 CC/C=C\COCCCCCC(=O)N 34a_100016268518_100009817443 [0,1,0,0,0,0|1,0,2]=4 3452 B13R0.54 CC/C=C\COCCCCCC(=O)N 7a_100000123541_100103147603 [0,1,0,0,0,0|1,0,2]=4 3453 B13R0.54 CC/C=C\COCCCCCC(=O)[O-] 7a_100102619762_100103147603 [0,1,0,0,0,0|0,0,3]=4 3454 B13R0.54 CC/C=C\CSCCCCCC(=O)N 62a_100009817443_100103147603 [0,1,0,0,0,0|1,0,2]=4 3455 B13R0.54 CC/C=C\CSCCCCCC(=O)N 62a_100103147603_100009817443 [0,1,0,0,0,0|1,0,2]=4 3456 B13R0.54 CC=CCCCOCCCCC(=O)C 34a_100020645299_100009817362 [0,1,0,0,0,0|1,0,2]=4 3457 B13R0.54 CCC#CCCOCCCCC(=O)C 34a_100000036655_100009817362 [0,1,0,0,0,0|1,0,2]=4 3458 B13R0.54 CCC#CCCOCCCCC(=O)C 7a_100000036655_100000735457 [0,1,0,0,0,0|1,0,2]=4 3459 B13R0.54 CCC#CCOCCCCCC(=O)N 34a_100000032950_100009817443 [0,1,0,0,0,0|1,0,2]=4 3460 B13R0.54 CCC#CCOCCCCCC(=O)N 34a_100000123541_100009813939 [0,1,0,0,0,0|1,0,2]=4 3461 B13R0.54 CCC#CCOCCCCCC(=O)N 7a_100000123541_100009813939 [0,1,0,0,0,0|1,0,2]=4 3462 B13R0.54 CCC#CCOCCCCCC(=O)[O-] 7a_100102619762_100009813939 [0,1,0,0,0,0|0,0,3]=4 3463 B13R0.54 CCC#CCSCCCCCC(=O)N 62a_100009813939_100009817443 [0,1,0,0,0,0|1,0,2]=4 3464 B13R0.54 CCC#CCSCCCCCC(=O)N 62a_100009817443_100009813939 [0,1,0,0,0,0|1,0,2]=4 3465 B13R0.54 CCC/C=C/COCCCCC(=O)C 34a_100016278788_100009817362 [0,1,0,0,0,0|1,0,2]=4 3466 B13R0.54 CCC/C=C/COCCCCC(=O)C 7a_100016278788_100000735457 [0,1,0,0,0,0|1,0,2]=4 3467 B13R0.54 CCCC#CCCOCCCC(=O)C 34a_100000042726_100000685027 [0,1,0,0,0,0|1,0,2]=4 3468 B13R0.54 CCCC#CCCOCCCC(=O)C 7a_100000042726_100011215641 [0,1,0,0,0,0|1,0,2]=4 3469 B13R0.54 CCCC#CCCOCCCC(=O)N 34a_100000042726_100102525003 [0,1,0,0,0,0|1,0,2]=4 3470 B13R0.54 CCCC#CCCOCCCC(=O)N 7a_100000042726_100102525003 [0,1,0,0,0,0|1,0,2]=4 3471 B13R0.54 CCCC#CCOCCCCC(=O)C 34a_100000034806_100009817362 [0,1,0,0,0,0|1,0,2]=4 3472 B13R0.54 CCCC#CCOCCCCC(=O)C 7a_100000034806_100000735457 [0,1,0,0,0,0|1,0,2]=4 3473 B13R0.54 CCCC/C=C/COCCCC(=O)C 34a_200016272032_100000685027 [0,1,0,0,0,0|1,0,2]=4 3474 B13R0.54 CCCC/C=C/COCCCC(=O)C 7a_200016272032_100011215641 [0,1,0,0,0,0|1,0,2]=4 3475 B13R0.54 CCCC/C=C/COCCCC(=O)N 34a_200016272032_100102525003 [0,1,0,0,0,0|1,0,2]=4 3476 B13R0.54 CCCC/C=C/COCCCC(=O)N 7a_200016272032_100102525003 [0,1,0,0,0,0|1,0,2]=4 3477 B13R0.54 CCCC/C=C\CCOCCC(=O)C 7a_200016286491_100000053229 [0,1,0,0,0,0|1,0,2]=4 3478 B13R0.54 CCCC/C=C\CCOCCC(=O)N 34a_200016286491_100000731001 [0,1,0,0,0,0|1,0,2]=4 3479 B13R0.54 CCCC/C=C\CCOCCC(=O)N 7a_200016286491_100000744528 [0,1,0,0,0,0|1,0,2]=4 3480 B13R0.54 CCCCC#CCCCNCC(=O)N 2230a_100000711301_200000047210 [0,1,0,0,0,0|1,0,2]=4 3481 B13R0.54 CCCCC#CCCCNCC(=O)O 269956a_100016091260_200000047210 [0,1,0,0,0,0|0,0,2]=3 3482 B13R0.54 CCCCC#CCCCOCC(=O)C 34a_100000211253_200000047210 [0,1,0,0,0,0|1,0,2]=4 3483 B13R0.54 CCCCC#CCCCSCC(=O)N 62a_100000747473_200000047210 [0,1,0,0,0,0|1,0,2]=4 3484 B13R0.54 CCCCC#CCCCSCC(=O)N 62a_200000047210_100000747473 [0,1,0,0,0,0|1,0,2]=4 3485 B13R0.54 CCCCC#CCCCSCC(=O)[O-] 62a_100020667443_200000047210 [0,1,0,0,0,0|0,0,3]=4 3486 B13R0.54 CCCCC#CCCCSCC(=O)[O-] 62a_200000047210_100020667443 [0,1,0,0,0,0|0,0,3]=4 3487 B13R0.54 CCCCC#CCCOCCC(=O)C 7a_100000037610_100000053229 [0,1,0,0,0,0|1,0,2]=4 3488 B13R0.54 CCCCC#CCCOCCC(=O)N 34a_100000037610_100000731001 [0,1,0,0,0,0|1,0,2]=4 3489 B13R0.54 CCCCC#CCCOCCC(=O)N 7a_100000037610_100000744528 [0,1,0,0,0,0|1,0,2]=4 3490 B13R0.54 CCCCC#CCOCCCC(=O)C 34a_200000034558_100000685027 [0,1,0,0,0,0|1,0,2]=4 3491 B13R0.54 CCCCC#CCOCCCC(=O)C 7a_200000034558_100011215641 [0,1,0,0,0,0|1,0,2]=4 3492 B13R0.54 CCCCC#CCOCCCC(=O)N 34a_200000034558_100102525003 [0,1,0,0,0,0|1,0,2]=4 3493 B13R0.54 CCCCC#CCOCCCC(=O)N 7a_200000034558_100102525003 [0,1,0,0,0,0|1,0,2]=4 3494 B13R0.54 CCCCC/C=C/COCCC(=O)C 7a_100016258190_100000053229 [0,1,0,0,0,0|1,0,2]=4 3495 B13R0.54 CCCCC/C=C/COCCC(=O)N 34a_100016258190_100000731001 [0,1,0,0,0,0|1,0,2]=4 3496 B13R0.54 CCCCC/C=C/COCCC(=O)N 7a_100016258190_100000744528 [0,1,0,0,0,0|1,0,2]=4 3497 B13R0.54 CCCCC/C=C\CCOCC(=O)N 34a_100016277358_100000187820 [0,1,0,0,0,0|1,0,2]=4 3498 B13R0.54 CCCCC/C=C\CCOCC(=O)N 7a_100016277358_100000187820 [0,1,0,0,0,0|1,0,2]=4 3499 B13R0.54 CCCCC/C=C\CCOCC(=O)[O-] 34a_100016277358_100020667443 [0,1,0,0,0,0|0,0,3]=4 3500 B13R0.54 CCCCCC#CCCOCC(=O)N 34a_200000042877_100000187820 [0,1,0,0,0,0|1,0,2]=4 3501 B13R0.54 CCCCCC#CCCOCC(=O)N 7a_200000042877_100000187820 [0,1,0,0,0,0|1,0,2]=4 3502 B13R0.54 CCCCCC#CCCOCC(=O)[O-] 34a_200000042877_100020667443 [0,1,0,0,0,0|0,0,3]=4 3503 B13R0.54 CCCCCC#CCNOCC(=O)O 269956a_100000106656_100009816472 [0,1,0,0,0,0|1,0,2]=4 3504 B13R0.54 CCCCCC#CCOCCC(=O)C 34a_100000759926_100009816472 [0,1,0,0,0,0|1,0,2]=4 3505 B13R0.54 CCCCCC#CCOCCC(=O)C 7a_100000759926_100009816472 [0,1,0,0,0,0|1,0,2]=4 3506 B13R0.54 CCCCCC#CCOCCC(=O)C 7a_200000033628_100000053229 [0,1,0,0,0,0|1,0,2]=4 3507 B13R0.54 CCCCCC#CCOCCC(=O)N 34a_100000757172_100009816472 [0,1,0,0,0,0|1,0,2]=4 3508 B13R0.54 CCCCCC#CCOCCC(=O)N 34a_200000033628_100000731001 [0,1,0,0,0,0|1,0,2]=4 3509 B13R0.54 CCCCCC#CCOCCC(=O)N 7a_100000757172_100009816472 [0,1,0,0,0,0|1,0,2]=4 3510 B13R0.54 CCCCCC#CCOCCC(=O)N 7a_200000033628_100000744528 [0,1,0,0,0,0|1,0,2]=4 3511 B13R0.54 CCCCCC#CCSCCC(=O)C 62a_100000053229_100009816472 [0,1,0,0,0,0|1,0,2]=4 3512 B13R0.54 CCCCCC#CCSCCC(=O)C 62a_100009816472_100000053229 [0,1,0,0,0,0|1,0,2]=4 3513 B13R0.54 CCCCCC#CCSCCC(=O)N 62a_100000744528_100009816472 [0,1,0,0,0,0|1,0,2]=4 3514 B13R0.54 CCCCCC#CCSCCC(=O)N 62a_100009816472_100000744528 [0,1,0,0,0,0|1,0,2]=4 3515 B13R0.54 CCCCCC/C=C/COCC(=O)N 34a_200016276170_100000187820 [0,1,0,0,0,0|1,0,2]=4 3516 B13R0.54 CCCCCC/C=C/COCC(=O)N 7a_200016276170_100000187820 [0,1,0,0,0,0|1,0,2]=4 3517 B13R0.54 CCCCCC/C=C/COCC(=O)[O-] 34a_200016276170_100020667443 [0,1,0,0,0,0|0,0,3]=4 3518 B13R0.54 CCCCCCC#CCOCC(=O)N 34a_200000037284_100000187820 [0,1,0,0,0,0|1,0,2]=4 3519 B13R0.54 CCCCCCC#CCOCC(=O)N 7a_200000037284_100000187820 [0,1,0,0,0,0|1,0,2]=4 3520 B13R0.54 CCCCCCC#CCOCC(=O)[O-] 34a_200000037284_100020667443 [0,1,0,0,0,0|0,0,3]=4 3521 B13R0.54 CCCCCCCCC=NNC(=O)C 4a_100000189765_100011218696 [0,1,0,0,0,0|2,0,1]=4 3522 B13R0.54 CCCCCCCCCC=CC(=O)C 1458a_200015352897_200000210301 [0,1,0,0,0,0|1,0,1]=3 3523 B13R0.54 CCCCCCCCCC=CC(=O)[13CH3] 1458a_200015352897_200025704644 [0,1,0,0,0,0|1,0,1]=3 3524 B13R0.54 CCCCCCCCCCCC(=O)C 1458a_100000070787_100011215454 [0,1,0,0,0,0|1,0,0]=2 3525 B13R0.54 CCCCCCCCCCCC(=O)C 1458a_100000210736_200000210301 [0,1,0,0,0,0|1,0,0]=2 3526 B13R0.54 CCCCCCCCCCCC(=O)[13CH3] 1458a_100000210736_200025704644 [0,1,0,0,0,0|1,0,0]=2 3527 B13R0.54 CCCCCCCCCCCN(C)C 2230a_100102631434_100011215454 [0,1,0,0,0,0|3,0,0]=4 3528 B13R0.54 CCCCCCCCCCCN(C)C 269982a_100102631434_100011215454 [0,1,0,0,0,0|3,0,0]=4 3529 B13R0.54 CCCCCCCCCCNC(=O)C 11a_100000684558_100015343762 [0,1,0,0,0,0|1,0,0]=2 3530 B13R0.54 CCCCCCCCCCNC(=O)C 1626a_100000684558_100015343762 [0,1,0,0,0,0|1,0,0]=2 3531 B13R0.54 CCCCCCCCCCNC(=O)C 240690a_100000684558_100015343762 [0,1,0,0,0,0|1,0,0]=2 3532 B13R0.54 CCCCCCCCCCNC(=O)C 527a_100000684558_100103153847 [0,1,0,0,0,0|1,0,0]=2 3533 B13R0.54 CCCCCCCCCCNC(C)C 2230a_100000684558_100000210206 [0,1,0,0,0,0|2,0,1]=4 3534 B13R0.54 CCCCCCCCCCNC(C)C 2230a_100138425928_100000210320 [0,1,0,0,0,0|2,0,1]=4 3535 B13R0.54 CCCCCCCCCCNC(C)C 34a_100000684558_100000210206 [0,1,0,0,0,0|2,0,1]=4 3536 B13R0.54 CCCCCCCCCCNC(C)C 34a_100138425928_100000210320 [0,1,0,0,0,0|2,0,1]=4 3537 B13R0.54 CCCCCCCCCCOC(C)C 34a_100000210711_100000210206 [0,1,0,0,0,0|2,0,1]=4 3538 B13R0.54 CCCCCCCCCCOC(C)C 34a_100000212225_100000210320 [0,1,0,0,0,0|2,0,1]=4 3539 B13R0.54 CCCCCCCCCCOC(C)C 7a_100000210711_100000210206 [0,1,0,0,0,0|2,0,1]=4 3540 B13R0.54 CCCCCCCCCCSC(C)C 62a_100000210206_100000210320 [0,1,0,0,0,0|2,0,1]=4 3541 B13R0.54 CCCCCCCCCNCC(=O)N 2230a_100000212291_100000747473 [0,1,0,0,0,0|1,0,0]=2 3542 B13R0.54 CCCCCCCCCNCC(=O)N 2230a_100000711301_100011214924 [0,1,0,0,0,0|1,0,0]=2 3543 B13R0.54 CCCCCCCCCNCC(=O)N 34a_100000212291_100000187820 [0,1,0,0,0,0|1,0,0]=2 3544 B13R0.54 CCCCCCCCCNCC(=O)O 269956a_100016091260_100000210670 [0,1,0,0,0,0|0,0,0]=1 3545 B13R0.54 CCCCCCCCCNCC(=O)[O-] 34a_100000212291_100020667443 [0,1,0,0,0,0|0,0,1]=2 3546 B13R0.54 CCCCCCCCCNCC(C)C 2230a_100000210953_100011214924 [0,1,0,0,0,0|2,0,1]=4 3547 B13R0.54 CCCCCCCCCNCC(C)C 2230a_100000212291_100000210760 [0,1,0,0,0,0|2,0,1]=4 3548 B13R0.54 CCCCCCCCCNCC(C)C 270004a_100000212291_100000210432 [0,1,0,0,0,0|2,0,1]=4 3549 B13R0.54 CCCCCCCCCNCC(C)C 34a_100000210953_100011214924 [0,1,0,0,0,0|2,0,1]=4 3550 B13R0.54 CCCCCCCCCNCC(C)C 34a_100000212291_100000210624 [0,1,0,0,0,0|2,0,1]=4 3551 B13R0.54 CCCCCCCCCNCC(C)O 2230a_100000210904_100011214924 [0,1,0,0,0,0|1,0,1]=3 3552 B13R0.54 CCCCCCCCCNCC(C)O 2230a_100000212291_100011218427 [0,1,0,0,0,0|1,0,1]=3 3553 B13R0.54 CCCCCCCCCNCC(C)O 34a_100000210904_100011214924 [0,1,0,0,0,0|1,0,1]=3 3554 B13R0.54 CCCCCCCCCNCC(C)O 34a_100000212291_100011218427 [0,1,0,0,0,0|1,0,1]=3 3555 B13R0.54 CCCCCCCCCNCC(F)F 2230a_100000212291_100011934356 [0,1,0,0,0,0|2,0,1]=4 3556 B13R0.54 CCCCCCCCCNCC(F)F 34a_100000212291_100011934356 [0,1,0,0,0,0|2,0,1]=4 3557 B13R0.54 CCCCCCCCCNCC(F)F 34a_100000765723_100011214924 [0,1,0,0,0,0|2,0,1]=4 3558 B13R0.54 CCCCCCCCCNC[C@@H](C)O 2230a_100000212291_100009817552 [0,1,0,0,0,0|1,0,1]=3 3559 B13R0.54 CCCCCCCCCNC[C@@H](C)O 34a_100000212291_100009817552 [0,1,0,0,0,0|1,0,1]=3 3560 B13R0.54 CCCCCCCCCNC[N+](=O)[O-] 34a_100000212291_100000761209 [0,1,0,0,0,0|1,0,1]=3 3561 B13R0.54 CCCCCCCCCOCC(=O)C 34a_100000211253_100011214924 [0,1,0,0,0,0|1,0,0]=2 3562 B13R0.54 CCCCCCCCCOCC(=O)N 34a_100000210712_100000187820 [0,1,0,0,0,0|1,0,0]=2 3563 B13R0.54 CCCCCCCCCOCC(=O)N 7a_100000210712_100000187820 [0,1,0,0,0,0|1,0,0]=2 3564 B13R0.54 CCCCCCCCCOCC(=O)[O-] 34a_100000210712_100020667443 [0,1,0,0,0,0|0,0,1]=2 3565 B13R0.54 CCCCCCCCCOCC(C)Br 34a_100012180447_100011214924 [0,1,0,0,0,0|2,0,1]=4 3566 B13R0.54 CCCCCCCCCOCC(C)C 34a_100000210257_100011214924 [0,1,0,0,0,0|2,0,1]=4 3567 B13R0.54 CCCCCCCCCOCC(C)C 34a_100000210712_100000210624 [0,1,0,0,0,0|2,0,1]=4 3568 B13R0.54 CCCCCCCCCOCC(C)C 7a_100000210712_100000210760 [0,1,0,0,0,0|2,0,1]=4 3569 B13R0.54 CCCCCCCCCOCC(C)F 34a_100015925927_100011214924 [0,1,0,0,0,0|2,0,1]=4 3570 B13R0.54 CCCCCCCCCOCC(C)O 34a_100000210712_100011218427 [0,1,0,0,0,0|1,0,1]=3 3571 B13R0.54 CCCCCCCCCOCC(C)O 7a_100000210712_100011218427 [0,1,0,0,0,0|1,0,1]=3 3572 B13R0.54 CCCCCCCCCOCC(F)F 34a_100000210712_100011934356 [0,1,0,0,0,0|2,0,1]=4 3573 B13R0.54 CCCCCCCCCOCC(F)F 34a_100000743014_100011214924 [0,1,0,0,0,0|2,0,1]=4 3574 B13R0.54 CCCCCCCCCOCC(F)F 7a_100000210712_100011934356 [0,1,0,0,0,0|2,0,1]=4 3575 B13R0.54 CCCCCCCCCOC[C@@H](C)Cl 34a_100016084084_100011214924 [0,1,0,0,0,0|2,0,1]=4 3576 B13R0.54 CCCCCCCCCOC[C@@H](C)N 34a_100000737577_100011214924 [0,1,0,0,0,0|2,0,1]=4 3577 B13R0.54 CCCCCCCCCOC[C@@H](C)O 34a_100000210712_100009817552 [0,1,0,0,0,0|1,0,1]=3 3578 B13R0.54 CCCCCCCCCOC[C@@H](C)O 7a_100000210712_100009817552 [0,1,0,0,0,0|1,0,1]=3 3579 B13R0.54 CCCCCCCCCOC[N+](=O)[O-] 34a_100000210712_100000761209 [0,1,0,0,0,0|1,0,1]=3 3580 B13R0.54 CCCCCCCCCSCC(=O)N 62a_100000747473_100000210670 [0,1,0,0,0,0|1,0,0]=2 3581 B13R0.54 CCCCCCCCCSCC(=O)[O-] 62a_100020667443_100000210670 [0,1,0,0,0,0|0,0,1]=2 3582 B13R0.54 CCCCCCCCCSCC(C)C 62a_100000210624_100000210670 [0,1,0,0,0,0|2,0,1]=4 3583 B13R0.54 CCCCCCCCCSCC(C)O 62a_100011218427_100000210670 [0,1,0,0,0,0|1,0,1]=3 3584 B13R0.54 CCCCCCCCCSCC(F)F 62a_100011934356_100000210670 [0,1,0,0,0,0|2,0,1]=4 3585 B13R0.54 CCCCCCCCCSC[C@@H](C)O 62a_100009817552_100000210670 [0,1,0,0,0,0|1,0,1]=3 3586 B13R0.54 CCCCCCCCNCC=C(C)C 2230a_100000229939_100000761012 [0,1,0,0,0,0|2,0,1]=4 3587 B13R0.54 CCCCCCCCNCC=C(C)C 34a_100000229939_100000761012 [0,1,0,0,0,0|2,0,1]=4 3588 B13R0.54 CCCCCCCCNCC=C(C)C 34a_100000718196_100000210759 [0,1,0,0,0,0|2,0,1]=4 3589 B13R0.54 CCCCCCCCNCCC(=O)N 2230a_100000229939_100000744528 [0,1,0,0,0,0|1,0,0]=2 3590 B13R0.54 CCCCCCCCNCCC(=O)N 34a_100000229939_100000731001 [0,1,0,0,0,0|1,0,0]=2 3591 B13R0.54 CCCCCCCCNCCC(C)C 2230a_100000229939_100000210312 [0,1,0,0,0,0|2,0,1]=4 3592 B13R0.54 CCCCCCCCNCCC(C)C 269862a_100000229939_100000185833 [0,1,0,0,0,0|2,0,1]=4 3593 B13R0.54 CCCCCCCCNCCC(C)C 34a_100000229939_100000210312 [0,1,0,0,0,0|2,0,1]=4 3594 B13R0.54 CCCCCCCCNCCC(C)O 2230a_100000229939_100012276601 [0,1,0,0,0,0|1,0,1]=3 3595 B13R0.54 CCCCCCCCNCCC(C)O 2230a_200000755665_100000210759 [0,1,0,0,0,0|1,0,1]=3 3596 B13R0.54 CCCCCCCCNCCC(C)O 34a_100000229939_100012276601 [0,1,0,0,0,0|1,0,1]=3 3597 B13R0.54 CCCCCCCCNCOC(=O)C 34a_100000229939_100009813279 [0,1,0,0,0,0|2,0,0]=3 3598 B13R0.54 CCCCCCCCNOCC(=O)O 269956a_100000106656_100000210759 [0,1,0,0,0,0|1,0,0]=2 3599 B13R0.54 CCCCCCCCOCC=C(C)C 34a_100000210232_100000761012 [0,1,0,0,0,0|2,0,1]=4 3600 B13R0.54 CCCCCCCCOCC=C(C)C 34a_100000753907_100000210759 [0,1,0,0,0,0|2,0,1]=4 3601 B13R0.54 CCCCCCCCOCC=C(C)C 7a_100000210232_100000761012 [0,1,0,0,0,0|2,0,1]=4 3602 B13R0.54 CCCCCCCCOCCC(=O)C 34a_100000759926_100000210759 [0,1,0,0,0,0|1,0,0]=2 3603 B13R0.54 CCCCCCCCOCCC(=O)C 7a_100000210232_100000053229 [0,1,0,0,0,0|1,0,0]=2 3604 B13R0.54 CCCCCCCCOCCC(=O)C 7a_100000759926_100000210759 [0,1,0,0,0,0|1,0,0]=2 3605 B13R0.54 CCCCCCCCOCCC(=O)N 34a_100000210232_100000731001 [0,1,0,0,0,0|1,0,0]=2 3606 B13R0.54 CCCCCCCCOCCC(=O)N 34a_100000757172_100000210759 [0,1,0,0,0,0|1,0,0]=2 3607 B13R0.54 CCCCCCCCOCCC(=O)N 7a_100000210232_100000744528 [0,1,0,0,0,0|1,0,0]=2 3608 B13R0.54 CCCCCCCCOCCC(=O)N 7a_100000757172_100000210759 [0,1,0,0,0,0|1,0,0]=2 3609 B13R0.54 CCCCCCCCOCCC(C)Br 34a_100009893172_100000210759 [0,1,0,0,0,0|2,0,1]=4 3610 B13R0.54 CCCCCCCCOCCC(C)C 34a_100000210232_100000210312 [0,1,0,0,0,0|2,0,1]=4 3611 B13R0.54 CCCCCCCCOCCC(C)C 34a_100000210254_100000210759 [0,1,0,0,0,0|2,0,1]=4 3612 B13R0.54 CCCCCCCCOCCC(C)C 7a_100000210232_100000210626 [0,1,0,0,0,0|2,0,1]=4 3613 B13R0.54 CCCCCCCCOCCC(C)C 7a_100000210254_100000210759 [0,1,0,0,0,0|2,0,1]=4 3614 B13R0.54 CCCCCCCCOCCC(C)O 34a_100000210232_100012276601 [0,1,0,0,0,0|1,0,1]=3 3615 B13R0.54 CCCCCCCCOCCC(C)O 7a_100000210232_100012276601 [0,1,0,0,0,0|1,0,1]=3 3616 B13R0.54 CCCCCCCCOCCC(F)F 34a_100103093639_100000210759 [0,1,0,0,0,0|2,0,1]=4 3617 B13R0.54 CCCCCCCCOCCN(C)C 7a_100000210232_100000755713 [0,1,0,0,0,0|3,0,0]=4 3618 B13R0.54 CCCCCCCCOCC[C@@H](C)N 34a_100000706166_100000210759 [0,1,0,0,0,0|2,0,1]=4 3619 B13R0.54 CCCCCCCCOCOC(=O)C 34a_100000210232_100009813279 [0,1,0,0,0,0|2,0,0]=3 3620 B13R0.54 CCCCCCCCSCC=C(C)C 62a_100000210759_100000761012 [0,1,0,0,0,0|2,0,1]=4 3621 B13R0.54 CCCCCCCCSCC=C(C)C 62a_100000761012_100000210317 [0,1,0,0,0,0|2,0,1]=4 3622 B13R0.54 CCCCCCCCSCCC(=O)C 62a_100000053229_100000210317 [0,1,0,0,0,0|1,0,0]=2 3623 B13R0.54 CCCCCCCCSCCC(=O)C 62a_100000210759_100000053229 [0,1,0,0,0,0|1,0,0]=2 3624 B13R0.54 CCCCCCCCSCCC(=O)N 62a_100000210759_100000744528 [0,1,0,0,0,0|1,0,0]=2 3625 B13R0.54 CCCCCCCCSCCC(=O)N 62a_100000744528_100000210317 [0,1,0,0,0,0|1,0,0]=2 3626 B13R0.54 CCCCCCCCSCCC(C)C 62a_100000210312_100000210317 [0,1,0,0,0,0|2,0,1]=4 3627 B13R0.54 CCCCCCCCSCCC(C)C 62a_100000210759_100000210312 [0,1,0,0,0,0|2,0,1]=4 3628 B13R0.54 CCCCCCCCSCCC(C)O 62a_100000210759_100012276601 [0,1,0,0,0,0|1,0,1]=3 3629 B13R0.54 CCCCCCCCSCCC(C)O 62a_100012276601_100000210317 [0,1,0,0,0,0|1,0,1]=3 3630 B13R0.54 CCCCCCCCSCCN(C)C 62a_100000210759_100000755713 [0,1,0,0,0,0|3,0,0]=4 3631 B13R0.54 CCCCCCCCSCOC(=O)C 62a_100000076356_100000210317 [0,1,0,0,0,0|2,0,0]=3 3632 B13R0.54 CCCCCCCCSCOC(=O)C 62a_100000210759_100000076356 [0,1,0,0,0,0|2,0,0]=3 3633 B13R0.54 CCCCCCCNCCC=C(C)C 2230a_100000229938_100011217483 [0,1,0,0,0,0|2,0,1]=4 3634 B13R0.54 CCCCCCCNCCC=C(F)F 2230a_100000229938_200009816681 [0,1,0,0,0,0|2,0,1]=4 3635 B13R0.54 CCCCCCCNCCCC(=O)N 34a_100000739312_100000210614 [0,1,0,0,0,0|1,0,0]=2 3636 B13R0.54 CCCCCCCNCCCC(C)C 2230a_100000229938_100011214892 [0,1,0,0,0,0|2,0,1]=4 3637 B13R0.54 CCCCCCCNCCCC(C)C 2230a_200000737386_100000210681 [0,1,0,0,0,0|2,0,1]=4 3638 B13R0.54 CCCCCCCNCCCC(C)C 34a_200000737386_100000210614 [0,1,0,0,0,0|2,0,1]=4 3639 B13R0.54 CCCCCCCNCCCC(C)O 2230a_100000229938_200000718107 [0,1,0,0,0,0|1,0,1]=3 3640 B13R0.54 CCCCCCCNCCCS(=O)C 2230a_200000753449_100000210681 [0,1,0,0,0,0|2,0,0]=3 3641 B13R0.54 CCCCCCCNCCNC(=O)C 2230a_100000209853_100000210681 [0,1,0,0,0,0|2,0,0]=3 3642 B13R0.54 CCCCCCCNCCNC(=O)C 2230a_100000229938_100000189650 [0,1,0,0,0,0|2,0,0]=3 3643 B13R0.54 CCCCCCCNCCNC(=O)N 2230a_100000229938_200000034859 [0,1,0,0,0,0|2,0,0]=3 3644 B13R0.54 CCCCCCCNCCNC(=O)N 34a_100020590234_100000210614 [0,1,0,0,0,0|2,0,0]=3 3645 B13R0.54 CCCCCCCOCCC=C(C)C 34a_100000210272_100011217483 [0,1,0,0,0,0|2,0,1]=4 3646 B13R0.54 CCCCCCCOCCC=C(C)C 7a_100000210272_100011217483 [0,1,0,0,0,0|2,0,1]=4 3647 B13R0.54 CCCCCCCOCCC=C(F)F 34a_100000210272_200009816681 [0,1,0,0,0,0|2,0,1]=4 3648 B13R0.54 CCCCCCCOCCC=C(F)F 7a_100000210272_200009816681 [0,1,0,0,0,0|2,0,1]=4 3649 B13R0.54 CCCCCCCOCCCC(=O)C 34a_100000210272_100000685027 [0,1,0,0,0,0|1,0,0]=2 3650 B13R0.54 CCCCCCCOCCCC(=O)C 34a_100000759063_100000210614 [0,1,0,0,0,0|1,0,0]=2 3651 B13R0.54 CCCCCCCOCCCC(=O)C 7a_100000210272_100011215641 [0,1,0,0,0,0|1,0,0]=2 3652 B13R0.54 CCCCCCCOCCCC(=O)C 7a_100000759063_100000210614 [0,1,0,0,0,0|1,0,0]=2 3653 B13R0.54 CCCCCCCOCCCC(=O)N 34a_100000210272_100102525003 [0,1,0,0,0,0|1,0,0]=2 3654 B13R0.54 CCCCCCCOCCCC(=O)N 7a_100000210272_100102525003 [0,1,0,0,0,0|1,0,0]=2 3655 B13R0.54 CCCCCCCOCCCC(C)C 34a_100000210272_100011214892 [0,1,0,0,0,0|2,0,1]=4 3656 B13R0.54 CCCCCCCOCCCC(C)C 34a_100000210774_100000210614 [0,1,0,0,0,0|2,0,1]=4 3657 B13R0.54 CCCCCCCOCCCC(C)C 7a_100000210272_100011214892 [0,1,0,0,0,0|2,0,1]=4 3658 B13R0.54 CCCCCCCOCCCC(C)C 7a_100000210774_100000210614 [0,1,0,0,0,0|2,0,1]=4 3659 B13R0.54 CCCCCCCOCCCC(C)O 34a_100000210272_200000718107 [0,1,0,0,0,0|1,0,1]=3 3660 B13R0.54 CCCCCCCOCCCC(C)O 7a_100000210272_200000718107 [0,1,0,0,0,0|1,0,1]=3 3661 B13R0.54 CCCCCCCOCCCN(C)C 7a_100000210272_100000757444 [0,1,0,0,0,0|3,0,0]=4 3662 B13R0.54 CCCCCCCOCCC[N+](=O)[O-] 34a_200000037920_100000210614 [0,1,0,0,0,0|1,0,1]=3 3663 B13R0.54 CCCCCCCOCCNC(=O)C 34a_100000158858_100000210614 [0,1,0,0,0,0|2,0,0]=3 3664 B13R0.54 CCCCCCCOCCNC(=O)C 7a_100000210272_100000189650 [0,1,0,0,0,0|2,0,0]=3 3665 B13R0.54 CCCCCCCOCCNC(=O)N 34a_100000181757_100000210614 [0,1,0,0,0,0|2,0,0]=3 3666 B13R0.54 CCCCCCCOCCNC(=O)N 7a_100000210272_200000034859 [0,1,0,0,0,0|2,0,0]=3 3667 B13R0.54 CCCCCCCOCCOC(=O)C 34a_100000210272_100009814007 [0,1,0,0,0,0|2,0,0]=3 3668 B13R0.54 CCCCCCCOCCOC(=O)C 7a_100000210272_100009814007 [0,1,0,0,0,0|2,0,0]=3 3669 B13R0.54 CCCCCCCOCCOC(=O)N 34a_100000210272_200011214921 [0,1,0,0,0,0|2,0,0]=3 3670 B13R0.54 CCCCCCCOCCOC(=O)N 7a_100000210272_200011214921 [0,1,0,0,0,0|2,0,0]=3 3671 B13R0.54 CCCCCCCOCCOC(=O)N 7a_100000766696_100000210614 [0,1,0,0,0,0|2,0,0]=3 3672 B13R0.54 CCCCCCCSCCC=C(C)C 62a_100000210614_100011217483 [0,1,0,0,0,0|2,0,1]=4 3673 B13R0.54 CCCCCCCSCCC=C(C)C 62a_100011217483_100000210316 [0,1,0,0,0,0|2,0,1]=4 3674 B13R0.54 CCCCCCCSCCC=C(F)F 62a_100000210614_200009816681 [0,1,0,0,0,0|2,0,1]=4 3675 B13R0.54 CCCCCCCSCCC=C(F)F 62a_200009816681_100000210316 [0,1,0,0,0,0|2,0,1]=4 3676 B13R0.54 CCCCCCCSCCCC(=O)C 62a_100000210614_100011215641 [0,1,0,0,0,0|1,0,0]=2 3677 B13R0.54 CCCCCCCSCCCC(=O)C 62a_100011215641_100000210316 [0,1,0,0,0,0|1,0,0]=2 3678 B13R0.54 CCCCCCCSCCCC(=O)N 62a_100000210614_100102525003 [0,1,0,0,0,0|1,0,0]=2 3679 B13R0.54 CCCCCCCSCCCC(=O)N 62a_100102525003_100000210316 [0,1,0,0,0,0|1,0,0]=2 3680 B13R0.54 CCCCCCCSCCCC(C)C 62a_100000210614_100011214892 [0,1,0,0,0,0|2,0,1]=4 3681 B13R0.54 CCCCCCCSCCCC(C)C 62a_100011214892_100000210316 [0,1,0,0,0,0|2,0,1]=4 3682 B13R0.54 CCCCCCCSCCCC(C)O 62a_100000210614_200000718107 [0,1,0,0,0,0|1,0,1]=3 3683 B13R0.54 CCCCCCCSCCCC(C)O 62a_200000718107_100000210316 [0,1,0,0,0,0|1,0,1]=3 3684 B13R0.54 CCCCCCCSCCCN(C)C 62a_100000210614_100000757444 [0,1,0,0,0,0|3,0,0]=4 3685 B13R0.54 CCCCCCCSCCNC(=O)C 62a_100000189650_100000210316 [0,1,0,0,0,0|2,0,0]=3 3686 B13R0.54 CCCCCCCSCCNC(=O)C 62a_100000210614_100000189650 [0,1,0,0,0,0|2,0,0]=3 3687 B13R0.54 CCCCCCCSCCNC(=O)N 62a_100000210614_200000034859 [0,1,0,0,0,0|2,0,0]=3 3688 B13R0.54 CCCCCCCSCCNC(=O)N 62a_200000034859_100000210316 [0,1,0,0,0,0|2,0,0]=3 3689 B13R0.54 CCCCCCCSCCOC(=O)C 62a_100000210614_100009814007 [0,1,0,0,0,0|2,0,0]=3 3690 B13R0.54 CCCCCCCSCCOC(=O)C 62a_100009814007_100000210316 [0,1,0,0,0,0|2,0,0]=3 3691 B13R0.54 CCCCCCCSCCOC(=O)N 62a_100000210614_200011214921 [0,1,0,0,0,0|2,0,0]=3 3692 B13R0.54 CCCCCCCSCCOC(=O)N 62a_200011214921_100000210316 [0,1,0,0,0,0|2,0,0]=3 3693 B13R0.54 CCCCCCNCCCCB(O)O 2230a_100000210581_200009817182 [0,1,0,0,0,0|1,0,1]=3 3694 B13R0.54 CCCCCCNCCCCC(=O)N 34a_100000696515_100000210314 [0,1,0,0,0,0|1,0,0]=2 3695 B13R0.54 CCCCCCNCCCCC(C)C 2230a_100000210581_100011216152 [0,1,0,0,0,0|2,0,1]=4 3696 B13R0.54 CCCCCCNCCCNC(=O)C 34a_100000736810_100000210314 [0,1,0,0,0,0|2,0,0]=3 3697 B13R0.54 CCCCCCNCCCOC(=S)C 2230a_100000210581_200135323944 [0,1,0,0,0,0|2,1,0]=4 3698 B13R0.54 CCCCCCNCCCSC(=O)C 2230a_100000210581_100000038929 [0,1,0,0,0,0|2,0,0]=3 3699 B13R0.54 CCCCCCNCCOCC(=O)N 2230a_100000210581_100000076697 [0,1,0,0,0,0|2,0,0]=3 3700 B13R0.54 CCCCCCNCCOCC(=O)O 269956a_100000700818_100000210757 [0,1,0,0,0,0|1,0,0]=2 3701 B13R0.54 CCCCCCOCCCCB(O)O 34a_100000210259_200009817182 [0,1,0,0,0,0|1,0,1]=3 3702 B13R0.54 CCCCCCOCCCCB(O)O 7a_100000210259_200009817182 [0,1,0,0,0,0|1,0,1]=3 3703 B13R0.54 CCCCCCOCCCCC(=O)C 34a_100000210259_100009817362 [0,1,0,0,0,0|1,0,0]=2 3704 B13R0.54 CCCCCCOCCCCC(=O)C 7a_100000210259_100000735457 [0,1,0,0,0,0|1,0,0]=2 3705 B13R0.54 CCCCCCOCCCCC(=O)N 34a_100012022536_100000210314 [0,1,0,0,0,0|1,0,0]=2 3706 B13R0.54 CCCCCCOCCCCC(=O)N 7a_100012022536_100000210314 [0,1,0,0,0,0|1,0,0]=2 3707 B13R0.54 CCCCCCOCCCCC(C)C 34a_100000210259_100011216152 [0,1,0,0,0,0|2,0,1]=4 3708 B13R0.54 CCCCCCOCCCCC(C)C 34a_100011214890_100000210314 [0,1,0,0,0,0|2,0,1]=4 3709 B13R0.54 CCCCCCOCCCCC(C)C 7a_100000210259_100011216152 [0,1,0,0,0,0|2,0,1]=4 3710 B13R0.54 CCCCCCOCCCCC(C)C 7a_100011214890_100000210314 [0,1,0,0,0,0|2,0,1]=4 3711 B13R0.54 CCCCCCOCCCC[N+](=O)[O-] 34a_200015379883_100000210314 [0,1,0,0,0,0|1,0,1]=3 3712 B13R0.54 CCCCCCOCCCC[N+](=O)[O-] 7a_200015379883_100000210314 [0,1,0,0,0,0|1,0,1]=3 3713 B13R0.54 CCCCCCOCCCNC(=O)C 34a_100000752032_100000210314 [0,1,0,0,0,0|2,0,0]=3 3714 B13R0.54 CCCCCCOCCCOC(=O)C 34a_100000210259_100000042594 [0,1,0,0,0,0|2,0,0]=3 3715 B13R0.54 CCCCCCOCCCOC(=O)C 7a_100000210259_100000042594 [0,1,0,0,0,0|2,0,0]=3 3716 B13R0.54 CCCCCCOCCCOC(=S)C 34a_100000210259_200135323944 [0,1,0,0,0,0|2,1,0]=4 3717 B13R0.54 CCCCCCOCCCOC(=S)C 7a_100000210259_200135323944 [0,1,0,0,0,0|2,1,0]=4 3718 B13R0.54 CCCCCCOCCCSC(=O)C 34a_100000210259_100000038929 [0,1,0,0,0,0|2,0,0]=3 3719 B13R0.54 CCCCCCOCCCSC(=O)C 7a_100000210259_100000038929 [0,1,0,0,0,0|2,0,0]=3 3720 B13R0.54 CCCCCCOCCOCC(=O)N 34a_100000210259_100000076697 [0,1,0,0,0,0|2,0,0]=3 3721 B13R0.54 CCCCCCOCCOCC(=O)N 34a_100000691444_100000187820 [0,1,0,0,0,0|2,0,0]=3 3722 B13R0.54 CCCCCCOCCOCC(=O)N 7a_100000210259_100000076697 [0,1,0,0,0,0|2,0,0]=3 3723 B13R0.54 CCCCCCOCCOCC(=O)N 7a_100000691444_100000187820 [0,1,0,0,0,0|2,0,0]=3 3724 B13R0.54 CCCCCCOCCOCC(=O)[O-] 34a_100000691444_100020667443 [0,1,0,0,0,0|1,0,1]=3 3725 B13R0.54 CCCCCCOCCOCC(C)O 34a_100000691444_100011218427 [0,1,0,0,0,0|2,0,1]=4 3726 B13R0.54 CCCCCCOCCOCC(C)O 7a_100000691444_100011218427 [0,1,0,0,0,0|2,0,1]=4 3727 B13R0.54 CCCCCCOCCOC[C@@H](C)O 34a_100000691444_100009817552 [0,1,0,0,0,0|2,0,1]=4 3728 B13R0.54 CCCCCCOCCOC[C@@H](C)O 7a_100000691444_100009817552 [0,1,0,0,0,0|2,0,1]=4 3729 B13R0.54 CCCCCCOCCOC[N+](=O)[O-] 34a_100000691444_100000761209 [0,1,0,0,0,0|2,0,1]=4 3730 B13R0.54 CCCCCCSCCCCB(O)O 62a_100000210314_200009817182 [0,1,0,0,0,0|1,0,1]=3 3731 B13R0.54 CCCCCCSCCCCB(O)O 62a_200009817182_100000210757 [0,1,0,0,0,0|1,0,1]=3 3732 B13R0.54 CCCCCCSCCCCC(=O)C 62a_100000210314_100000735457 [0,1,0,0,0,0|1,0,0]=2 3733 B13R0.54 CCCCCCSCCCCC(=O)C 62a_100000735457_100000210757 [0,1,0,0,0,0|1,0,0]=2 3734 B13R0.54 CCCCCCSCCCCC(C)C 62a_100000210314_100011216152 [0,1,0,0,0,0|2,0,1]=4 3735 B13R0.54 CCCCCCSCCCCC(C)C 62a_100011216152_100000210757 [0,1,0,0,0,0|2,0,1]=4 3736 B13R0.54 CCCCCCSCCCCN(C)C 62a_100000210314_100000690147 [0,1,0,0,0,0|3,0,0]=4 3737 B13R0.54 CCCCCCSCCCOC(=O)C 62a_100000042594_100000210757 [0,1,0,0,0,0|2,0,0]=3 3738 B13R0.54 CCCCCCSCCCOC(=O)C 62a_100000210314_100000042594 [0,1,0,0,0,0|2,0,0]=3 3739 B13R0.54 CCCCCCSCCCOC(=S)C 62a_100000210314_200135323944 [0,1,0,0,0,0|2,1,0]=4 3740 B13R0.54 CCCCCCSCCCOC(=S)C 62a_200135323944_100000210757 [0,1,0,0,0,0|2,1,0]=4 3741 B13R0.54 CCCCCCSCCCSC(=O)C 62a_100000038929_100000210757 [0,1,0,0,0,0|2,0,0]=3 3742 B13R0.54 CCCCCCSCCCSC(=O)C 62a_100000210314_100000038929 [0,1,0,0,0,0|2,0,0]=3 3743 B13R0.54 CCCCCCSCCOCC(=O)N 62a_100000076697_100000210757 [0,1,0,0,0,0|2,0,0]=3 3744 B13R0.54 CCCCCCSCCOCC(=O)N 62a_100000210314_100000076697 [0,1,0,0,0,0|2,0,0]=3 3745 B13R0.54 CCCCCNCCCCCB(O)O 2230a_100000209983_200009817188 [0,1,0,0,0,0|1,0,1]=3 3746 B13R0.54 CCCCCNCCCCCC(=O)N 2230a_100000209983_100009817443 [0,1,0,0,0,0|1,0,0]=2 3747 B13R0.54 CCCCCNCCCCCC(C)C 2230a_100000209983_100000210682 [0,1,0,0,0,0|2,0,1]=4 3748 B13R0.54 CCCCCNCCCCCC(C)C 2230a_100011290863_100000210326 [0,1,0,0,0,0|2,0,1]=4 3749 B13R0.54 CCCCCNCCCCCC(C)C 34a_100011290863_100000718602 [0,1,0,0,0,0|2,0,1]=4 3750 B13R0.54 CCCCCNCCCCNC(=O)C 2230a_200011368371_100000210326 [0,1,0,0,0,0|2,0,0]=3 3751 B13R0.54 CCCCCNCCCCNC(=O)C 34a_200011368371_100000718602 [0,1,0,0,0,0|2,0,0]=3 3752 B13R0.54 CCCCCNCCCCSC(=O)C 2230a_100000209983_200010402107 [0,1,0,0,0,0|2,0,0]=3 3753 B13R0.54 CCCCCNCCOCCC(=O)N 34a_100000224656_100000731001 [0,1,0,0,0,0|2,0,0]=3 3754 B13R0.54 CCCCCNCCOCCC(C)O 34a_100000224656_100012276601 [0,1,0,0,0,0|2,0,1]=4 3755 B13R0.54 CCCCCNCCOCOC(=O)C 34a_100000224656_100009813279 [0,1,0,0,0,0|3,0,0]=4 3756 B13R0.54 CCCCCOCCCCCB(O)O 34a_100000210253_200009817188 [0,1,0,0,0,0|1,0,1]=3 3757 B13R0.54 CCCCCOCCCCCB(O)O 7a_100000210253_200009817188 [0,1,0,0,0,0|1,0,1]=3 3758 B13R0.54 CCCCCOCCCCCC(=O)N 34a_100000123541_100000718602 [0,1,0,0,0,0|1,0,0]=2 3759 B13R0.54 CCCCCOCCCCCC(=O)N 34a_100000210253_100009817443 [0,1,0,0,0,0|1,0,0]=2 3760 B13R0.54 CCCCCOCCCCCC(=O)N 7a_100000123541_100000210326 [0,1,0,0,0,0|1,0,0]=2 3761 B13R0.54 CCCCCOCCCCCC(=O)N 7a_100000210253_100009817443 [0,1,0,0,0,0|1,0,0]=2 3762 B13R0.54 CCCCCOCCCCCC(=O)[O-] 7a_100102619762_100000210326 [0,1,0,0,0,0|0,0,1]=2 3763 B13R0.54 CCCCCOCCCCCC(C)C 34a_100000210253_100000210682 [0,1,0,0,0,0|2,0,1]=4 3764 B13R0.54 CCCCCOCCCCCC(C)C 34a_100011995859_100000718602 [0,1,0,0,0,0|2,0,1]=4 3765 B13R0.54 CCCCCOCCCCCC(C)C 7a_100000210253_100000210682 [0,1,0,0,0,0|2,0,1]=4 3766 B13R0.54 CCCCCOCCCCCC(C)C 7a_100011995859_100000210326 [0,1,0,0,0,0|2,0,1]=4 3767 B13R0.54 CCCCCOCCCCOC(=O)C 34a_100000073216_100000718602 [0,1,0,0,0,0|2,0,0]=3 3768 B13R0.54 CCCCCOCCCCOC(=O)C 34a_100000210253_100000033659 [0,1,0,0,0,0|2,0,0]=3 3769 B13R0.54 CCCCCOCCCCOC(=O)C 7a_100000073216_100000210326 [0,1,0,0,0,0|2,0,0]=3 3770 B13R0.54 CCCCCOCCCCOC(=O)C 7a_100000210253_100000033659 [0,1,0,0,0,0|2,0,0]=3 3771 B13R0.54 CCCCCOCCCCO[N+](=O)[O-] 34a_100000210253_100015694321 [0,1,0,0,0,0|2,0,1]=4 3772 B13R0.54 CCCCCOCCCCO[N+](=O)[O-] 7a_100000210253_100015694321 [0,1,0,0,0,0|2,0,1]=4 3773 B13R0.54 CCCCCOCCCCSC(=O)C 34a_100000210253_200010402107 [0,1,0,0,0,0|2,0,0]=3 3774 B13R0.54 CCCCCOCCCCSC(=O)C 7a_100000210253_200010402107 [0,1,0,0,0,0|2,0,0]=3 3775 B13R0.54 CCCCCOCCOCCC(=O)C 7a_100011215259_100000053229 [0,1,0,0,0,0|2,0,0]=3 3776 B13R0.54 CCCCCOCCOCCC(=O)N 34a_100011215259_100000731001 [0,1,0,0,0,0|2,0,0]=3 3777 B13R0.54 CCCCCOCCOCCC(=O)N 7a_100011215259_100000744528 [0,1,0,0,0,0|2,0,0]=3 3778 B13R0.54 CCCCCOCCOCCC(C)O 34a_100011215259_100012276601 [0,1,0,0,0,0|2,0,1]=4 3779 B13R0.54 CCCCCOCCOCCC(C)O 7a_100011215259_100012276601 [0,1,0,0,0,0|2,0,1]=4 3780 B13R0.54 CCCCCOCCOCOC(=O)C 34a_100011215259_100009813279 [0,1,0,0,0,0|3,0,0]=4 3781 B13R0.54 CCCCCOCOCCOC(=O)C 34a_100000210253_100000076355 [0,1,0,0,0,0|3,0,0]=4 3782 B13R0.54 CCCCCSCCCCCB(O)O 62a_100000210326_200009817188 [0,1,0,0,0,0|1,0,1]=3 3783 B13R0.54 CCCCCSCCCCCB(O)O 62a_200009817188_100000210326 [0,1,0,0,0,0|1,0,1]=3 3784 B13R0.54 CCCCCSCCCCCC(=O)N 62a_100000210326_100009817443 [0,1,0,0,0,0|1,0,0]=2 3785 B13R0.54 CCCCCSCCCCCC(=O)N 62a_100009817443_100000210326 [0,1,0,0,0,0|1,0,0]=2 3786 B13R0.54 CCCCCSCCCCCC(C)C 62a_100000210326_100000210682 [0,1,0,0,0,0|2,0,1]=4 3787 B13R0.54 CCCCCSCCCCCC(C)C 62a_100000210682_100000210326 [0,1,0,0,0,0|2,0,1]=4 3788 B13R0.54 CCCCCSCCCCOC(=O)C 62a_100000033659_100000210326 [0,1,0,0,0,0|2,0,0]=3 3789 B13R0.54 CCCCCSCCCCOC(=O)C 62a_100000210326_100000033659 [0,1,0,0,0,0|2,0,0]=3 3790 B13R0.54 CCCCCSCCCCO[N+](=O)[O-] 62a_100000210326_100015694321 [0,1,0,0,0,0|2,0,1]=4 3791 B13R0.54 CCCCCSCCCCSC(=O)C 62a_100000210326_200010402107 [0,1,0,0,0,0|2,0,0]=3 3792 B13R0.54 CCCCCSCCCCSC(=O)C 62a_200010402107_100000210326 [0,1,0,0,0,0|2,0,0]=3 3793 B13R0.54 CCCCCSCOCCOC(=O)C 62a_100000076355_100000210326 [0,1,0,0,0,0|3,0,0]=4 3794 B13R0.54 CCCCCSCOCCOC(=O)C 62a_100000210326_100000076355 [0,1,0,0,0,0|3,0,0]=4 3795 B13R0.54 CCCCNCCCCCCB(O)O 2230a_100000102301_100009817187 [0,1,0,0,0,0|1,0,1]=3 3796 B13R0.54 CCCCNCCCCCCB(O)O 7a_106832991798_100009817187 [0,1,0,0,0,0|1,0,1]=3 3797 B13R0.54 CCCCNCCCCCCC(C)C 2230a_100000211014_100000210211 [0,1,0,0,0,0|2,0,1]=4 3798 B13R0.54 CCCCNCCCCCCC(C)C 34a_100000211014_100000210210 [0,1,0,0,0,0|2,0,1]=4 3799 B13R0.54 CCCCNCCCCCNC(=O)C 2230a_200012022750_100000210211 [0,1,0,0,0,0|2,0,0]=3 3800 B13R0.54 CCCCNCCCCCNC(=O)C 34a_200012022750_100000210210 [0,1,0,0,0,0|2,0,0]=3 3801 B13R0.54 CCCCNCCCCCOC(=O)C 2230a_100000102301_100009813381 [0,1,0,0,0,0|2,0,0]=3 3802 B13R0.54 CCCCNCCCCCOC(=O)C 7a_106832991798_100000033007 [0,1,0,0,0,0|2,0,0]=3 3803 B13R0.54 CCCCNCCCCOCC(=O)N 34a_200011216965_100000187820 [0,1,0,0,0,0|2,0,0]=3 3804 B13R0.54 CCCCNCCCCOCC(=O)[O-] 34a_200011216965_100020667443 [0,1,0,0,0,0|1,0,1]=3 3805 B13R0.54 CCCCNCCCCOCC(C)O 34a_200011216965_100011218427 [0,1,0,0,0,0|2,0,1]=4 3806 B13R0.54 CCCCNCCCCOC[C@@H](C)O 34a_200011216965_100009817552 [0,1,0,0,0,0|2,0,1]=4 3807 B13R0.54 CCCCNCCCCOC[N+](=O)[O-] 34a_200011216965_100000761209 [0,1,0,0,0,0|2,0,1]=4 3808 B13R0.54 CCCCNCCOCCOC(=O)C 2230a_100000102301_200000083610 [0,1,0,0,0,0|3,0,0]=4 3809 B13R0.54 CCCCNCCOCCOC(=O)C 7a_106832991798_200000083610 [0,1,0,0,0,0|3,0,0]=4 3810 B13R0.54 CCCCOCCCCCCB(O)O 34a_100000210227_100009817187 [0,1,0,0,0,0|1,0,1]=3 3811 B13R0.54 CCCCOCCCCCCB(O)O 7a_100000210227_100009817187 [0,1,0,0,0,0|1,0,1]=3 3812 B13R0.54 CCCCOCCCCCOC(=O)C 34a_100000210227_100000033007 [0,1,0,0,0,0|2,0,0]=3 3813 B13R0.54 CCCCOCCCCCOC(=O)C 7a_100000210227_100000033007 [0,1,0,0,0,0|2,0,0]=3 3814 B13R0.54 CCCCOCCCCOCC(=O)N 34a_200000760531_100000187820 [0,1,0,0,0,0|2,0,0]=3 3815 B13R0.54 CCCCOCCCCOCC(=O)N 7a_200000760531_100000187820 [0,1,0,0,0,0|2,0,0]=3 3816 B13R0.54 CCCCOCCCCOCC(=O)[O-] 34a_200000760531_100020667443 [0,1,0,0,0,0|1,0,1]=3 3817 B13R0.54 CCCCOCCCCOCC(C)O 34a_200000760531_100011218427 [0,1,0,0,0,0|2,0,1]=4 3818 B13R0.54 CCCCOCCCCOCC(C)O 7a_200000760531_100011218427 [0,1,0,0,0,0|2,0,1]=4 3819 B13R0.54 CCCCOCCCCOC[C@@H](C)O 34a_200000760531_100009817552 [0,1,0,0,0,0|2,0,1]=4 3820 B13R0.54 CCCCOCCCCOC[C@@H](C)O 7a_200000760531_100009817552 [0,1,0,0,0,0|2,0,1]=4 3821 B13R0.54 CCCCOCCCCOC[N+](=O)[O-] 34a_200000760531_100000761209 [0,1,0,0,0,0|2,0,1]=4 3822 B13R0.54 CCCCOCCCNCCC(=O)N 2230a_200000211371_100000744528 [0,1,0,0,0,0|2,0,0]=3 3823 B13R0.54 CCCCOCCCNCCC(=O)N 34a_200000211371_100000731001 [0,1,0,0,0,0|2,0,0]=3 3824 B13R0.54 CCCCOCCCNCCC(C)O 2230a_200000211371_100012276601 [0,1,0,0,0,0|2,0,1]=4 3825 B13R0.54 CCCCOCCCNCCC(C)O 34a_200000211371_100012276601 [0,1,0,0,0,0|2,0,1]=4 3826 B13R0.54 CCCCOCCCNCOC(=O)C 34a_200000211371_100009813279 [0,1,0,0,0,0|3,0,0]=4 3827 B13R0.54 CCCCOCCCOCCC(=O)C 7a_200011215613_100000053229 [0,1,0,0,0,0|2,0,0]=3 3828 B13R0.54 CCCCOCCCOCCC(=O)N 34a_200011215613_100000731001 [0,1,0,0,0,0|2,0,0]=3 3829 B13R0.54 CCCCOCCCOCCC(=O)N 7a_200011215613_100000744528 [0,1,0,0,0,0|2,0,0]=3 3830 B13R0.54 CCCCOCCCOCCC(C)O 34a_200011215613_100012276601 [0,1,0,0,0,0|2,0,1]=4 3831 B13R0.54 CCCCOCCCOCCC(C)O 7a_200011215613_100012276601 [0,1,0,0,0,0|2,0,1]=4 3832 B13R0.54 CCCCOCCCOCOC(=O)C 34a_200011215613_100009813279 [0,1,0,0,0,0|3,0,0]=4 3833 B13R0.54 CCCCOCCNCCCC(=O)N 34a_100000739312_100000743108 [0,1,0,0,0,0|2,0,0]=3 3834 B13R0.54 CCCCOCCNCCCS(=O)C 2230a_200000753449_100000743108 [0,1,0,0,0,0|3,0,0]=4 3835 B13R0.54 CCCCOCCNCCNC(=O)C 2230a_100000209853_100000743108 [0,1,0,0,0,0|3,0,0]=4 3836 B13R0.54 CCCCOCCNCCNC(=O)N 34a_100020590234_100000743108 [0,1,0,0,0,0|3,0,0]=4 3837 B13R0.54 CCCCOCCOCCCC(=O)C 34a_100000210238_100000685027 [0,1,0,0,0,0|2,0,0]=3 3838 B13R0.54 CCCCOCCOCCCC(=O)C 34a_100000759063_100000743108 [0,1,0,0,0,0|2,0,0]=3 3839 B13R0.54 CCCCOCCOCCCC(=O)C 7a_100000210238_100011215641 [0,1,0,0,0,0|2,0,0]=3 3840 B13R0.54 CCCCOCCOCCCC(=O)C 7a_100000759063_100000743108 [0,1,0,0,0,0|2,0,0]=3 3841 B13R0.54 CCCCOCCOCCCC(=O)N 34a_100000210238_100102525003 [0,1,0,0,0,0|2,0,0]=3 3842 B13R0.54 CCCCOCCOCCCC(=O)N 7a_100000210238_100102525003 [0,1,0,0,0,0|2,0,0]=3 3843 B13R0.54 CCCCOCCOCCCC(C)O 34a_100000210238_200000718107 [0,1,0,0,0,0|2,0,1]=4 3844 B13R0.54 CCCCOCCOCCCC(C)O 7a_100000210238_200000718107 [0,1,0,0,0,0|2,0,1]=4 3845 B13R0.54 CCCCOCCOCCC[N+](=O)[O-] 34a_200000037920_100000743108 [0,1,0,0,0,0|2,0,1]=4 3846 B13R0.54 CCCCOCCOCCNC(=O)C 34a_100000158858_100000743108 [0,1,0,0,0,0|3,0,0]=4 3847 B13R0.54 CCCCOCCOCCNC(=O)C 7a_100000210238_100000189650 [0,1,0,0,0,0|3,0,0]=4 3848 B13R0.54 CCCCOCCOCCNC(=O)N 34a_100000181757_100000743108 [0,1,0,0,0,0|3,0,0]=4 3849 B13R0.54 CCCCOCCOCCNC(=O)N 7a_100000210238_200000034859 [0,1,0,0,0,0|3,0,0]=4 3850 B13R0.54 CCCCOCCOCCOC(=O)C 34a_100000210227_200000083610 [0,1,0,0,0,0|3,0,0]=4 3851 B13R0.54 CCCCOCCOCCOC(=O)C 34a_100000210238_100009814007 [0,1,0,0,0,0|3,0,0]=4 3852 B13R0.54 CCCCOCCOCCOC(=O)C 7a_100000210227_200000083610 [0,1,0,0,0,0|3,0,0]=4 3853 B13R0.54 CCCCOCCOCCOC(=O)C 7a_100000210238_100009814007 [0,1,0,0,0,0|3,0,0]=4 3854 B13R0.54 CCCCOCCOCCOC(=O)N 34a_100000210238_200011214921 [0,1,0,0,0,0|3,0,0]=4 3855 B13R0.54 CCCCOCCOCCOC(=O)N 7a_100000210238_200011214921 [0,1,0,0,0,0|3,0,0]=4 3856 B13R0.54 CCCCOCCOCCOC(=O)N 7a_100000766696_100000743108 [0,1,0,0,0,0|3,0,0]=4 3857 B13R0.54 CCCCOCCSCCCC(=O)C 62a_100000743108_100011215641 [0,1,0,0,0,0|2,0,0]=3 3858 B13R0.54 CCCCOCCSCCCC(=O)C 62a_100011215641_100000743108 [0,1,0,0,0,0|2,0,0]=3 3859 B13R0.54 CCCCOCCSCCCC(=O)N 62a_100000743108_100102525003 [0,1,0,0,0,0|2,0,0]=3 3860 B13R0.54 CCCCOCCSCCCC(=O)N 62a_100102525003_100000743108 [0,1,0,0,0,0|2,0,0]=3 3861 B13R0.54 CCCCOCCSCCCC(C)O 62a_100000743108_200000718107 [0,1,0,0,0,0|2,0,1]=4 3862 B13R0.54 CCCCOCCSCCCC(C)O 62a_200000718107_100000743108 [0,1,0,0,0,0|2,0,1]=4 3863 B13R0.54 CCCCOCCSCCNC(=O)C 62a_100000189650_100000743108 [0,1,0,0,0,0|3,0,0]=4 3864 B13R0.54 CCCCOCCSCCNC(=O)C 62a_100000743108_100000189650 [0,1,0,0,0,0|3,0,0]=4 3865 B13R0.54 CCCCOCCSCCNC(=O)N 62a_100000743108_200000034859 [0,1,0,0,0,0|3,0,0]=4 3866 B13R0.54 CCCCOCCSCCNC(=O)N 62a_200000034859_100000743108 [0,1,0,0,0,0|3,0,0]=4 3867 B13R0.54 CCCCOCCSCCOC(=O)C 62a_100000743108_100009814007 [0,1,0,0,0,0|3,0,0]=4 3868 B13R0.54 CCCCOCCSCCOC(=O)C 62a_100009814007_100000743108 [0,1,0,0,0,0|3,0,0]=4 3869 B13R0.54 CCCCOCCSCCOC(=O)N 62a_100000743108_200011214921 [0,1,0,0,0,0|3,0,0]=4 3870 B13R0.54 CCCCOCCSCCOC(=O)N 62a_200011214921_100000743108 [0,1,0,0,0,0|3,0,0]=4 3871 B13R0.54 CCCCOCNCCCCC(=O)N 34a_100000696515_100011995733 [0,1,0,0,0,0|2,0,0]=3 3872 B13R0.54 CCCCOCNCCCNC(=O)C 34a_100000736810_100011995733 [0,1,0,0,0,0|3,0,0]=4 3873 B13R0.54 CCCCOCNCCOCC(=O)O 269956a_100000700818_100011995733 [0,1,0,0,0,0|2,0,0]=3 3874 B13R0.54 CCCCOCOCCCCC(=O)N 34a_100012022536_100011995733 [0,1,0,0,0,0|2,0,0]=3 3875 B13R0.54 CCCCOCOCCCC[N+](=O)[O-] 34a_200015379883_100011995733 [0,1,0,0,0,0|2,0,1]=4 3876 B13R0.54 CCCCOCOCCCNC(=O)C 34a_100000752032_100011995733 [0,1,0,0,0,0|3,0,0]=4 3877 B13R0.54 CCCCOCSCCCCB(O)O 62a_100011995733_200009817182 [0,1,0,0,0,0|2,0,1]=4 3878 B13R0.54 CCCCOCSCCCCB(O)O 62a_200009817182_100011995733 [0,1,0,0,0,0|2,0,1]=4 3879 B13R0.54 CCCCOCSCCCCC(=O)C 62a_100000735457_100011995733 [0,1,0,0,0,0|2,0,0]=3 3880 B13R0.54 CCCCOCSCCCCC(=O)C 62a_100011995733_100000735457 [0,1,0,0,0,0|2,0,0]=3 3881 B13R0.54 CCCCOCSCCCOC(=O)C 62a_100000042594_100011995733 [0,1,0,0,0,0|3,0,0]=4 3882 B13R0.54 CCCCOCSCCCOC(=O)C 62a_100011995733_100000042594 [0,1,0,0,0,0|3,0,0]=4 3883 B13R0.54 CCCCOCSCCCSC(=O)C 62a_100000038929_100011995733 [0,1,0,0,0,0|3,0,0]=4 3884 B13R0.54 CCCCOCSCCCSC(=O)C 62a_100011995733_100000038929 [0,1,0,0,0,0|3,0,0]=4 3885 B13R0.54 CCCCOCSCCOCC(=O)N 62a_100000076697_100011995733 [0,1,0,0,0,0|3,0,0]=4 3886 B13R0.54 CCCCOCSCCOCC(=O)N 62a_100011995733_100000076697 [0,1,0,0,0,0|3,0,0]=4 3887 B13R0.54 CCCCSCCCCCCB(O)O 62a_100000210211_100009817187 [0,1,0,0,0,0|1,0,1]=3 3888 B13R0.54 CCCCSCCCCCCB(O)O 62a_100009817187_100000210210 [0,1,0,0,0,0|1,0,1]=3 3889 B13R0.54 CCCCSCCCCCOC(=O)C 62a_100000033007_100000210210 [0,1,0,0,0,0|2,0,0]=3 3890 B13R0.54 CCCCSCCCCCOC(=O)C 62a_100000210211_100000033007 [0,1,0,0,0,0|2,0,0]=3 3891 B13R0.54 CCCCSCCNCCCC(C)O 2230a_100025743550_200000718107 [0,1,0,0,0,0|2,0,1]=4 3892 B13R0.54 CCCCSCCNCCNC(=O)C 2230a_100025743550_100000189650 [0,1,0,0,0,0|3,0,0]=4 3893 B13R0.54 CCCCSCCNCCNC(=O)N 2230a_100025743550_200000034859 [0,1,0,0,0,0|3,0,0]=4 3894 B13R0.54 CCCCSCCOCCCC(=O)C 34a_200000230436_100000685027 [0,1,0,0,0,0|2,0,0]=3 3895 B13R0.54 CCCCSCCOCCCC(=O)C 7a_200000230436_100011215641 [0,1,0,0,0,0|2,0,0]=3 3896 B13R0.54 CCCCSCCOCCCC(=O)N 34a_200000230436_100102525003 [0,1,0,0,0,0|2,0,0]=3 3897 B13R0.54 CCCCSCCOCCCC(=O)N 7a_200000230436_100102525003 [0,1,0,0,0,0|2,0,0]=3 3898 B13R0.54 CCCCSCCOCCCC(C)O 34a_200000230436_200000718107 [0,1,0,0,0,0|2,0,1]=4 3899 B13R0.54 CCCCSCCOCCCC(C)O 7a_200000230436_200000718107 [0,1,0,0,0,0|2,0,1]=4 3900 B13R0.54 CCCCSCCOCCNC(=O)C 7a_200000230436_100000189650 [0,1,0,0,0,0|3,0,0]=4 3901 B13R0.54 CCCCSCCOCCNC(=O)N 7a_200000230436_200000034859 [0,1,0,0,0,0|3,0,0]=4 3902 B13R0.54 CCCCSCCOCCOC(=O)C 34a_200000230436_100009814007 [0,1,0,0,0,0|3,0,0]=4 3903 B13R0.54 CCCCSCCOCCOC(=O)C 62a_100000210211_200000083610 [0,1,0,0,0,0|3,0,0]=4 3904 B13R0.54 CCCCSCCOCCOC(=O)C 62a_200000083610_100000210210 [0,1,0,0,0,0|3,0,0]=4 3905 B13R0.54 CCCCSCCOCCOC(=O)C 7a_200000230436_100009814007 [0,1,0,0,0,0|3,0,0]=4 3906 B13R0.54 CCCCSCCOCCOC(=O)N 34a_200000230436_200011214921 [0,1,0,0,0,0|3,0,0]=4 3907 B13R0.54 CCCCSCCOCCOC(=O)N 7a_200000230436_200011214921 [0,1,0,0,0,0|3,0,0]=4 3908 B13R0.54 CCCNCCCCCCNC(=O)C 2230a_200011996284_100000210303 [0,1,0,0,0,0|2,0,0]=3 3909 B13R0.54 CCCNCCCCCCNC(=O)C 34a_200011996284_100000210303 [0,1,0,0,0,0|2,0,0]=3 3910 B13R0.54 CCCNCCOCCOCC(=O)O 269956a_100009854275_100000210207 [0,1,0,0,0,0|2,0,0]=3 3911 B13R0.54 CCCOCCCCCCCC(C)C 34a_200000210741_100000210303 [0,1,0,0,0,0|2,0,1]=4 3912 B13R0.54 CCCOCCCCCCCC(C)C 7a_200000210741_100000210303 [0,1,0,0,0,0|2,0,1]=4 3913 B13R0.54 CCCOCCCNCCCC(=O)C 34a_100011217757_100000685027 [0,1,0,0,0,0|2,0,0]=3 3914 B13R0.54 CCCOCCCNCCCC(=O)N 34a_100011217757_100102525003 [0,1,0,0,0,0|2,0,0]=3 3915 B13R0.54 CCCOCCCNCCCC(C)O 2230a_100011217757_200000718107 [0,1,0,0,0,0|2,0,1]=4 3916 B13R0.54 CCCOCCCNCCCC(C)O 34a_100011217757_200000718107 [0,1,0,0,0,0|2,0,1]=4 3917 B13R0.54 CCCOCCCNCCNC(=O)C 2230a_100011217757_100000189650 [0,1,0,0,0,0|3,0,0]=4 3918 B13R0.54 CCCOCCCNCCNC(=O)N 2230a_100011217757_200000034859 [0,1,0,0,0,0|3,0,0]=4 3919 B13R0.54 CCCOCCCNCCOC(=O)C 34a_100011217757_100009814007 [0,1,0,0,0,0|3,0,0]=4 3920 B13R0.54 CCCOCCCNCCOC(=O)N 34a_100011217757_200011214921 [0,1,0,0,0,0|3,0,0]=4 3921 B13R0.54 CCCOCCNCCCCB(O)O 2230a_100161115042_200009817182 [0,1,0,0,0,0|2,0,1]=4 3922 B13R0.54 CCCOCCNCCCCB(O)O 34a_100161115042_200009817182 [0,1,0,0,0,0|2,0,1]=4 3923 B13R0.54 CCCOCCNCCCCC(=O)C 34a_100161115042_100009817362 [0,1,0,0,0,0|2,0,0]=3 3924 B13R0.54 CCCOCCNCCCCC(=O)N 34a_100000696515_100011215938 [0,1,0,0,0,0|2,0,0]=3 3925 B13R0.54 CCCOCCNCCCNC(=O)C 34a_100000736810_100011215938 [0,1,0,0,0,0|3,0,0]=4 3926 B13R0.54 CCCOCCNCCCOC(=O)C 34a_100161115042_100000042594 [0,1,0,0,0,0|3,0,0]=4 3927 B13R0.54 CCCOCCNCCCSC(=O)C 2230a_100161115042_100000038929 [0,1,0,0,0,0|3,0,0]=4 3928 B13R0.54 CCCOCCNCCCSC(=O)C 34a_100161115042_100000038929 [0,1,0,0,0,0|3,0,0]=4 3929 B13R0.54 CCCOCCNCCOCC(=O)N 2230a_100161115042_100000076697 [0,1,0,0,0,0|3,0,0]=4 3930 B13R0.54 CCCOCCNCCOCC(=O)N 34a_100161115042_100000076697 [0,1,0,0,0,0|3,0,0]=4 3931 B13R0.54 CCCOCCNCCOCC(=O)O 269956a_100000700818_100011215938 [0,1,0,0,0,0|2,0,0]=3 3932 B13R0.54 CCCOCCOCCCCB(O)O 34a_100000752267_200009817182 [0,1,0,0,0,0|2,0,1]=4 3933 B13R0.54 CCCOCCOCCCCB(O)O 7a_100000752267_200009817182 [0,1,0,0,0,0|2,0,1]=4 3934 B13R0.54 CCCOCCOCCCCC(=O)C 34a_100000752267_100009817362 [0,1,0,0,0,0|2,0,0]=3 3935 B13R0.54 CCCOCCOCCCCC(=O)C 7a_100000752267_100000735457 [0,1,0,0,0,0|2,0,0]=3 3936 B13R0.54 CCCOCCOCCCCC(=O)N 34a_100012022536_100011215938 [0,1,0,0,0,0|2,0,0]=3 3937 B13R0.54 CCCOCCOCCCCC(=O)N 7a_100012022536_100011215938 [0,1,0,0,0,0|2,0,0]=3 3938 B13R0.54 CCCOCCOCCCC[N+](=O)[O-] 34a_200015379883_100011215938 [0,1,0,0,0,0|2,0,1]=4 3939 B13R0.54 CCCOCCOCCCC[N+](=O)[O-] 7a_200015379883_100011215938 [0,1,0,0,0,0|2,0,1]=4 3940 B13R0.54 CCCOCCOCCCNC(=O)C 34a_100000752032_100011215938 [0,1,0,0,0,0|3,0,0]=4 3941 B13R0.54 CCCOCCOCCCOC(=O)C 34a_100000752267_100000042594 [0,1,0,0,0,0|3,0,0]=4 3942 B13R0.54 CCCOCCOCCCOC(=O)C 7a_100000752267_100000042594 [0,1,0,0,0,0|3,0,0]=4 3943 B13R0.54 CCCOCCOCCCSC(=O)C 34a_100000752267_100000038929 [0,1,0,0,0,0|3,0,0]=4 3944 B13R0.54 CCCOCCOCCCSC(=O)C 7a_100000752267_100000038929 [0,1,0,0,0,0|3,0,0]=4 3945 B13R0.54 CCCOCCOCCNCC(=O)N 2230a_200011904461_100000747473 [0,1,0,0,0,0|3,0,0]=4 3946 B13R0.54 CCCOCCOCCNCC(=O)N 34a_200011904461_100000187820 [0,1,0,0,0,0|3,0,0]=4 3947 B13R0.54 CCCOCCOCCNCC(=O)[O-] 34a_200011904461_100020667443 [0,1,0,0,0,0|2,0,1]=4 3948 B13R0.54 CCCOCCOCCOCC(=O)N 34a_100000752267_100000076697 [0,1,0,0,0,0|3,0,0]=4 3949 B13R0.54 CCCOCCOCCOCC(=O)N 7a_100000752267_100000076697 [0,1,0,0,0,0|3,0,0]=4 3950 B13R0.54 CCCOCCSCCCCB(O)O 62a_100011215938_200009817182 [0,1,0,0,0,0|2,0,1]=4 3951 B13R0.54 CCCOCCSCCCCB(O)O 62a_200009817182_100011215938 [0,1,0,0,0,0|2,0,1]=4 3952 B13R0.54 CCCOCCSCCCCC(=O)C 62a_100000735457_100011215938 [0,1,0,0,0,0|2,0,0]=3 3953 B13R0.54 CCCOCCSCCCCC(=O)C 62a_100011215938_100000735457 [0,1,0,0,0,0|2,0,0]=3 3954 B13R0.54 CCCOCCSCCCOC(=O)C 62a_100000042594_100011215938 [0,1,0,0,0,0|3,0,0]=4 3955 B13R0.54 CCCOCCSCCCOC(=O)C 62a_100011215938_100000042594 [0,1,0,0,0,0|3,0,0]=4 3956 B13R0.54 CCCOCCSCCCSC(=O)C 62a_100000038929_100011215938 [0,1,0,0,0,0|3,0,0]=4 3957 B13R0.54 CCCOCCSCCCSC(=O)C 62a_100011215938_100000038929 [0,1,0,0,0,0|3,0,0]=4 3958 B13R0.54 CCCOCCSCCOCC(=O)N 62a_100000076697_100011215938 [0,1,0,0,0,0|3,0,0]=4 3959 B13R0.54 CCCOCCSCCOCC(=O)N 62a_100011215938_100000076697 [0,1,0,0,0,0|3,0,0]=4 3960 B13R0.54 CCCSCCNCCCCB(O)O 2230a_100020603323_200009817182 [0,1,0,0,0,0|2,0,1]=4 3961 B13R0.54 CCCSCCNCCCSC(=O)C 2230a_100020603323_100000038929 [0,1,0,0,0,0|3,0,0]=4 3962 B13R0.54 CCCSCCNCCOCC(=O)N 2230a_100020603323_100000076697 [0,1,0,0,0,0|3,0,0]=4 3963 B13R0.54 CCCSCCOCCCCB(O)O 34a_200000230433_200009817182 [0,1,0,0,0,0|2,0,1]=4 3964 B13R0.54 CCCSCCOCCCCB(O)O 7a_200000230433_200009817182 [0,1,0,0,0,0|2,0,1]=4 3965 B13R0.54 CCCSCCOCCCCC(=O)C 34a_200000230433_100009817362 [0,1,0,0,0,0|2,0,0]=3 3966 B13R0.54 CCCSCCOCCCCC(=O)C 7a_200000230433_100000735457 [0,1,0,0,0,0|2,0,0]=3 3967 B13R0.54 CCCSCCOCCCOC(=O)C 34a_200000230433_100000042594 [0,1,0,0,0,0|3,0,0]=4 3968 B13R0.54 CCCSCCOCCCOC(=O)C 7a_200000230433_100000042594 [0,1,0,0,0,0|3,0,0]=4 3969 B13R0.54 CCCSCCOCCCSC(=O)C 34a_200000230433_100000038929 [0,1,0,0,0,0|3,0,0]=4 3970 B13R0.54 CCCSCCOCCCSC(=O)C 7a_200000230433_100000038929 [0,1,0,0,0,0|3,0,0]=4 3971 B13R0.54 CCCSCCOCCOCC(=O)N 34a_200000230433_100000076697 [0,1,0,0,0,0|3,0,0]=4 3972 B13R0.54 CCCSCCOCCOCC(=O)N 7a_200000230433_100000076697 [0,1,0,0,0,0|3,0,0]=4 3973 B13R0.54 CCOCCCNCCCCB(O)O 2230a_100000210961_200009817182 [0,1,0,0,0,0|2,0,1]=4 3974 B13R0.54 CCOCCCNCCCCB(O)O 34a_100000210961_200009817182 [0,1,0,0,0,0|2,0,1]=4 3975 B13R0.54 CCOCCCNCCCCC(=O)C 34a_100000210961_100009817362 [0,1,0,0,0,0|2,0,0]=3 3976 B13R0.54 CCOCCCNCCCCC(=O)N 34a_100000696515_100012232248 [0,1,0,0,0,0|2,0,0]=3 3977 B13R0.54 CCOCCCNCCCNC(=O)C 34a_100000736810_100012232248 [0,1,0,0,0,0|3,0,0]=4 3978 B13R0.54 CCOCCCNCCCOC(=O)C 34a_100000210961_100000042594 [0,1,0,0,0,0|3,0,0]=4 3979 B13R0.54 CCOCCCNCCCSC(=O)C 2230a_100000210961_100000038929 [0,1,0,0,0,0|3,0,0]=4 3980 B13R0.54 CCOCCCNCCCSC(=O)C 34a_100000210961_100000038929 [0,1,0,0,0,0|3,0,0]=4 3981 B13R0.54 CCOCCCNCCOCC(=O)N 2230a_100000210961_100000076697 [0,1,0,0,0,0|3,0,0]=4 3982 B13R0.54 CCOCCCNCCOCC(=O)N 34a_100000210961_100000076697 [0,1,0,0,0,0|3,0,0]=4 3983 B13R0.54 CCOCCCNCCOCC(=O)O 269956a_100000700818_100012232248 [0,1,0,0,0,0|2,0,0]=3 3984 B13R0.54 CCOCCCOCCCCB(O)O 34a_100000757476_200009817182 [0,1,0,0,0,0|2,0,1]=4 3985 B13R0.54 CCOCCCOCCCCB(O)O 7a_100000757476_200009817182 [0,1,0,0,0,0|2,0,1]=4 3986 B13R0.54 CCOCCCOCCCCC(=O)C 34a_100000757476_100009817362 [0,1,0,0,0,0|2,0,0]=3 3987 B13R0.54 CCOCCCOCCCCC(=O)C 7a_100000757476_100000735457 [0,1,0,0,0,0|2,0,0]=3 3988 B13R0.54 CCOCCCOCCCCC(=O)N 34a_100012022536_100012232248 [0,1,0,0,0,0|2,0,0]=3 3989 B13R0.54 CCOCCCOCCCCC(=O)N 7a_100012022536_100012232248 [0,1,0,0,0,0|2,0,0]=3 3990 B13R0.54 CCOCCCOCCCC[N+](=O)[O-] 34a_200015379883_100012232248 [0,1,0,0,0,0|2,0,1]=4 3991 B13R0.54 CCOCCCOCCCC[N+](=O)[O-] 7a_200015379883_100012232248 [0,1,0,0,0,0|2,0,1]=4 3992 B13R0.54 CCOCCCOCCCNC(=O)C 34a_100000752032_100012232248 [0,1,0,0,0,0|3,0,0]=4 3993 B13R0.54 CCOCCCOCCCOC(=O)C 34a_100000757476_100000042594 [0,1,0,0,0,0|3,0,0]=4 3994 B13R0.54 CCOCCCOCCCOC(=O)C 7a_100000757476_100000042594 [0,1,0,0,0,0|3,0,0]=4 3995 B13R0.54 CCOCCCOCCCSC(=O)C 34a_100000757476_100000038929 [0,1,0,0,0,0|3,0,0]=4 3996 B13R0.54 CCOCCCOCCCSC(=O)C 7a_100000757476_100000038929 [0,1,0,0,0,0|3,0,0]=4 3997 B13R0.54 CCOCCCOCCOCC(=O)N 34a_100000757476_100000076697 [0,1,0,0,0,0|3,0,0]=4 3998 B13R0.54 CCOCCCOCCOCC(=O)N 7a_100000757476_100000076697 [0,1,0,0,0,0|3,0,0]=4 3999 B13R0.54 CCOCCCSCCCCB(O)O 62a_100012232248_200009817182 [0,1,0,0,0,0|2,0,1]=4 4000 B13R0.54 CCOCCCSCCCCB(O)O 62a_200009817182_100012232248 [0,1,0,0,0,0|2,0,1]=4 4001 B13R0.54 CCOCCCSCCCCC(=O)C 62a_100000735457_100012232248 [0,1,0,0,0,0|2,0,0]=3 4002 B13R0.54 CCOCCCSCCCCC(=O)C 62a_100012232248_100000735457 [0,1,0,0,0,0|2,0,0]=3 4003 B13R0.54 CCOCCCSCCCOC(=O)C 62a_100000042594_100012232248 [0,1,0,0,0,0|3,0,0]=4 4004 B13R0.54 CCOCCCSCCCOC(=O)C 62a_100012232248_100000042594 [0,1,0,0,0,0|3,0,0]=4 4005 B13R0.54 CCOCCCSCCCSC(=O)C 62a_100000038929_100012232248 [0,1,0,0,0,0|3,0,0]=4 4006 B13R0.54 CCOCCCSCCCSC(=O)C 62a_100012232248_100000038929 [0,1,0,0,0,0|3,0,0]=4 4007 B13R0.54 CCOCCCSCCOCC(=O)N 62a_100000076697_100012232248 [0,1,0,0,0,0|3,0,0]=4 4008 B13R0.54 CCOCCCSCCOCC(=O)N 62a_100012232248_100000076697 [0,1,0,0,0,0|3,0,0]=4 4009 B13R0.54 CCOCCNCCCCCB(O)O 2230a_102516460346_200009817188 [0,1,0,0,0,0|2,0,1]=4 4010 B13R0.54 CCOCCNCCCCCB(O)O 34a_102516460346_200009817188 [0,1,0,0,0,0|2,0,1]=4 4011 B13R0.54 CCOCCNCCCCCC(=O)N 2230a_102516460346_100009817443 [0,1,0,0,0,0|2,0,0]=3 4012 B13R0.54 CCOCCNCCCCCC(=O)N 34a_102516460346_100009817443 [0,1,0,0,0,0|2,0,0]=3 4013 B13R0.54 CCOCCNCCCCNC(=O)C 2230a_200011368371_100011215890 [0,1,0,0,0,0|3,0,0]=4 4014 B13R0.54 CCOCCNCCCCNC(=O)C 34a_200011368371_100000210147 [0,1,0,0,0,0|3,0,0]=4 4015 B13R0.54 CCOCCNCCCCOC(=O)C 34a_102516460346_100000033659 [0,1,0,0,0,0|3,0,0]=4 4016 B13R0.54 CCOCCNCCCCSC(=O)C 2230a_102516460346_200010402107 [0,1,0,0,0,0|3,0,0]=4 4017 B13R0.54 CCOCCNCCCCSC(=O)C 34a_102516460346_200010402107 [0,1,0,0,0,0|3,0,0]=4 4018 B13R0.54 CCOCCOCCCCCB(O)O 34a_100000210136_200009817188 [0,1,0,0,0,0|2,0,1]=4 4019 B13R0.54 CCOCCOCCCCCB(O)O 7a_100000210136_200009817188 [0,1,0,0,0,0|2,0,1]=4 4020 B13R0.54 CCOCCOCCCCCC(=O)N 34a_100000123541_100000210147 [0,1,0,0,0,0|2,0,0]=3 4021 B13R0.54 CCOCCOCCCCCC(=O)N 34a_100000210136_100009817443 [0,1,0,0,0,0|2,0,0]=3 4022 B13R0.54 CCOCCOCCCCCC(=O)N 7a_100000123541_100011215890 [0,1,0,0,0,0|2,0,0]=3 4023 B13R0.54 CCOCCOCCCCCC(=O)N 7a_100000210136_100009817443 [0,1,0,0,0,0|2,0,0]=3 4024 B13R0.54 CCOCCOCCCCCC(=O)[O-] 7a_100102619762_100011215890 [0,1,0,0,0,0|1,0,1]=3 4025 B13R0.54 CCOCCOCCCCOC(=O)C 34a_100000073216_100000210147 [0,1,0,0,0,0|3,0,0]=4 4026 B13R0.54 CCOCCOCCCCOC(=O)C 34a_100000210136_100000033659 [0,1,0,0,0,0|3,0,0]=4 4027 B13R0.54 CCOCCOCCCCOC(=O)C 7a_100000073216_100011215890 [0,1,0,0,0,0|3,0,0]=4 4028 B13R0.54 CCOCCOCCCCOC(=O)C 7a_100000210136_100000033659 [0,1,0,0,0,0|3,0,0]=4 4029 B13R0.54 CCOCCOCCCCSC(=O)C 34a_100000210136_200010402107 [0,1,0,0,0,0|3,0,0]=4 4030 B13R0.54 CCOCCOCCCCSC(=O)C 7a_100000210136_200010402107 [0,1,0,0,0,0|3,0,0]=4 4031 B13R0.54 CCOCCOCCNCCC(=O)N 2230a_100102712874_100000744528 [0,1,0,0,0,0|3,0,0]=4 4032 B13R0.54 CCOCCOCCNCCC(=O)N 34a_100102712874_100000731001 [0,1,0,0,0,0|3,0,0]=4 4033 B13R0.54 CCOCCOCCNOCC(=O)O 269956a_100000106656_100011211534 [0,1,0,0,0,0|3,0,0]=4 4034 B13R0.54 CCOCCOCCOCCC(=O)C 34a_100000759926_100011211534 [0,1,0,0,0,0|3,0,0]=4 4035 B13R0.54 CCOCCOCCOCCC(=O)C 7a_100000210240_100000053229 [0,1,0,0,0,0|3,0,0]=4 4036 B13R0.54 CCOCCOCCOCCC(=O)C 7a_100000759926_100011211534 [0,1,0,0,0,0|3,0,0]=4 4037 B13R0.54 CCOCCOCCOCCC(=O)N 34a_100000210240_100000731001 [0,1,0,0,0,0|3,0,0]=4 4038 B13R0.54 CCOCCOCCOCCC(=O)N 34a_100000757172_100011211534 [0,1,0,0,0,0|3,0,0]=4 4039 B13R0.54 CCOCCOCCOCCC(=O)N 7a_100000210240_100000744528 [0,1,0,0,0,0|3,0,0]=4 4040 B13R0.54 CCOCCOCCOCCC(=O)N 7a_100000757172_100011211534 [0,1,0,0,0,0|3,0,0]=4 4041 B13R0.54 CCOCCOCCSCCC(=O)C 62a_100000053229_100011211534 [0,1,0,0,0,0|3,0,0]=4 4042 B13R0.54 CCOCCOCCSCCC(=O)C 62a_100011211534_100000053229 [0,1,0,0,0,0|3,0,0]=4 4043 B13R0.54 CCOCCOCCSCCC(=O)N 62a_100000744528_100011211534 [0,1,0,0,0,0|3,0,0]=4 4044 B13R0.54 CCOCCOCCSCCC(=O)N 62a_100011211534_100000744528 [0,1,0,0,0,0|3,0,0]=4 4045 B13R0.54 CCOCCSCCCCCB(O)O 62a_100000210147_200009817188 [0,1,0,0,0,0|2,0,1]=4 4046 B13R0.54 CCOCCSCCCCCB(O)O 62a_200009817188_100011215890 [0,1,0,0,0,0|2,0,1]=4 4047 B13R0.54 CCOCCSCCCCCC(=O)N 62a_100000210147_100009817443 [0,1,0,0,0,0|2,0,0]=3 4048 B13R0.54 CCOCCSCCCCCC(=O)N 62a_100009817443_100011215890 [0,1,0,0,0,0|2,0,0]=3 4049 B13R0.54 CCOCCSCCCCOC(=O)C 62a_100000033659_100011215890 [0,1,0,0,0,0|3,0,0]=4 4050 B13R0.54 CCOCCSCCCCOC(=O)C 62a_100000210147_100000033659 [0,1,0,0,0,0|3,0,0]=4 4051 B13R0.54 CCOCCSCCCCSC(=O)C 62a_100000210147_200010402107 [0,1,0,0,0,0|3,0,0]=4 4052 B13R0.54 CCOCCSCCCCSC(=O)C 62a_200010402107_100011215890 [0,1,0,0,0,0|3,0,0]=4 4053 B13R0.54 CCOCSCCCCCCB(O)O 62a_100000739092_100009817187 [0,1,0,0,0,0|2,0,1]=4 4054 B13R0.54 CCOCSCCCCCCB(O)O 62a_100009817187_100000739092 [0,1,0,0,0,0|2,0,1]=4 4055 B13R0.54 CCOCSCCCCCOC(=O)C 62a_100000033007_100000739092 [0,1,0,0,0,0|3,0,0]=4 4056 B13R0.54 CCOCSCCCCCOC(=O)C 62a_100000739092_100000033007 [0,1,0,0,0,0|3,0,0]=4 4057 B13R0.54 CCSCCCOCCCCB(O)O 34a_100011216438_200009817182 [0,1,0,0,0,0|2,0,1]=4 4058 B13R0.54 CCSCCCOCCCCB(O)O 7a_100011216438_200009817182 [0,1,0,0,0,0|2,0,1]=4 4059 B13R0.54 CCSCCCOCCCCC(=O)C 34a_100011216438_100009817362 [0,1,0,0,0,0|2,0,0]=3 4060 B13R0.54 CCSCCCOCCCCC(=O)C 7a_100011216438_100000735457 [0,1,0,0,0,0|2,0,0]=3 4061 B13R0.54 CCSCCCOCCCOC(=O)C 34a_100011216438_100000042594 [0,1,0,0,0,0|3,0,0]=4 4062 B13R0.54 CCSCCCOCCCOC(=O)C 7a_100011216438_100000042594 [0,1,0,0,0,0|3,0,0]=4 4063 B13R0.54 CCSCCCOCCCSC(=O)C 34a_100011216438_100000038929 [0,1,0,0,0,0|3,0,0]=4 4064 B13R0.54 CCSCCCOCCCSC(=O)C 7a_100011216438_100000038929 [0,1,0,0,0,0|3,0,0]=4 4065 B13R0.54 CCSCCCOCCOCC(=O)N 34a_100011216438_100000076697 [0,1,0,0,0,0|3,0,0]=4 4066 B13R0.54 CCSCCCOCCOCC(=O)N 7a_100011216438_100000076697 [0,1,0,0,0,0|3,0,0]=4 4067 B13R0.54 CCSCCNCCCCCB(O)O 2230a_100000106463_200009817188 [0,1,0,0,0,0|2,0,1]=4 4068 B13R0.54 CCSCCNCCCCCC(=O)N 2230a_100000106463_100009817443 [0,1,0,0,0,0|2,0,0]=3 4069 B13R0.54 CCSCCNCCCCNC(=O)C 2230a_200011368371_100000757381 [0,1,0,0,0,0|3,0,0]=4 4070 B13R0.54 CCSCCNCCCCNC(=O)C 34a_200011368371_100000757381 [0,1,0,0,0,0|3,0,0]=4 4071 B13R0.54 CCSCCNCCCCSC(=O)C 2230a_100000106463_200010402107 [0,1,0,0,0,0|3,0,0]=4 4072 B13R0.54 CCSCCOCCCCCB(O)O 34a_100000212035_200009817188 [0,1,0,0,0,0|2,0,1]=4 4073 B13R0.54 CCSCCOCCCCCB(O)O 7a_100000212035_200009817188 [0,1,0,0,0,0|2,0,1]=4 4074 B13R0.54 CCSCCOCCCCCC(=O)N 34a_100000123541_100000757381 [0,1,0,0,0,0|2,0,0]=3 4075 B13R0.54 CCSCCOCCCCCC(=O)N 34a_100000212035_100009817443 [0,1,0,0,0,0|2,0,0]=3 4076 B13R0.54 CCSCCOCCCCCC(=O)N 7a_100000123541_100000757381 [0,1,0,0,0,0|2,0,0]=3 4077 B13R0.54 CCSCCOCCCCCC(=O)N 7a_100000212035_100009817443 [0,1,0,0,0,0|2,0,0]=3 4078 B13R0.54 CCSCCOCCCCCC(=O)[O-] 7a_100102619762_100000757381 [0,1,0,0,0,0|1,0,1]=3 4079 B13R0.54 CCSCCOCCCCOC(=O)C 34a_100000073216_100000757381 [0,1,0,0,0,0|3,0,0]=4 4080 B13R0.54 CCSCCOCCCCOC(=O)C 34a_100000212035_100000033659 [0,1,0,0,0,0|3,0,0]=4 4081 B13R0.54 CCSCCOCCCCOC(=O)C 7a_100000073216_100000757381 [0,1,0,0,0,0|3,0,0]=4 4082 B13R0.54 CCSCCOCCCCOC(=O)C 7a_100000212035_100000033659 [0,1,0,0,0,0|3,0,0]=4 4083 B13R0.54 CCSCCOCCCCSC(=O)C 34a_100000212035_200010402107 [0,1,0,0,0,0|3,0,0]=4 4084 B13R0.54 CCSCCOCCCCSC(=O)C 7a_100000212035_200010402107 [0,1,0,0,0,0|3,0,0]=4 4085 B13R0.54 CCSCCSCCCCCB(O)O 62a_100000757381_200009817188 [0,1,0,0,0,0|2,0,1]=4 4086 B13R0.54 CCSCCSCCCCCB(O)O 62a_200009817188_100000757381 [0,1,0,0,0,0|2,0,1]=4 4087 B13R0.54 CCSCCSCCCCCC(=O)N 62a_100000757381_100009817443 [0,1,0,0,0,0|2,0,0]=3 4088 B13R0.54 CCSCCSCCCCCC(=O)N 62a_100009817443_100000757381 [0,1,0,0,0,0|2,0,0]=3 4089 B13R0.54 CCSCCSCCCCOC(=O)C 62a_100000033659_100000757381 [0,1,0,0,0,0|3,0,0]=4 4090 B13R0.54 CCSCCSCCCCOC(=O)C 62a_100000757381_100000033659 [0,1,0,0,0,0|3,0,0]=4 4091 B13R0.54 CCSCCSCCCCSC(=O)C 62a_100000757381_200010402107 [0,1,0,0,0,0|3,0,0]=4 4092 B13R0.54 CCSCCSCCCCSC(=O)C 62a_200010402107_100000757381 [0,1,0,0,0,0|3,0,0]=4 4093 B13R0.54 CN(C)CCCCCCCCCCO 2230a_100102631434_100009813290 [0,1,0,0,0,0|3,0,0]=4 4094 B13R0.54 CN(C)CCCCCCCCCCO 269982a_100102631434_100009813290 [0,1,0,0,0,0|3,0,0]=4 4095 B13R0.54 CNCCCCCOCCCC(=O)C 34a_100000722520_100000685027 [0,1,0,0,0,0|2,0,0]=3 4096 B13R0.54 CNCCCCCOCCCC(=O)N 34a_100000722520_100102525003 [0,1,0,0,0,0|2,0,0]=3 4097 B13R0.54 CNCCCCCOCCCC(C)O 34a_100000722520_200000718107 [0,1,0,0,0,0|2,0,1]=4 4098 B13R0.54 CNCCCCCOCCOC(=O)C 34a_100000722520_100009814007 [0,1,0,0,0,0|3,0,0]=4 4099 B13R0.54 CNCCCCCOCCOC(=O)N 34a_100000722520_200011214921 [0,1,0,0,0,0|3,0,0]=4 4100 B13R0.54 CNCCCOCCCCCB(O)O 34a_100000213112_200009817188 [0,1,0,0,0,0|2,0,1]=4 4101 B13R0.54 CNCCCOCCCCCC(=O)N 34a_100000213112_100009817443 [0,1,0,0,0,0|2,0,0]=3 4102 B13R0.54 CNCCCOCCCCOC(=O)C 34a_100000213112_100000033659 [0,1,0,0,0,0|3,0,0]=4 4103 B13R0.54 CNCCCOCCCCSC(=O)C 34a_100000213112_200010402107 [0,1,0,0,0,0|3,0,0]=4 4104 B13R0.54 CNCCOCCOCCCC(=O)C 34a_100000228057_100000685027 [0,1,0,0,0,0|3,0,0]=4 4105 B13R0.54 CNCCOCCOCCCC(=O)N 34a_100000228057_100102525003 [0,1,0,0,0,0|3,0,0]=4 4106 B13R0.54 COCCCCCCNCCC(C)O 2230a_200000755665_100011998445 [0,1,0,0,0,0|2,0,1]=4 4107 B13R0.54 COCCCCCCNOCC(=O)O 269956a_100000106656_100011998445 [0,1,0,0,0,0|2,0,0]=3 4108 B13R0.54 COCCCCCCOCCC(=O)C 34a_100000759926_100011998445 [0,1,0,0,0,0|2,0,0]=3 4109 B13R0.54 COCCCCCCOCCC(=O)C 7a_100000759926_100011998445 [0,1,0,0,0,0|2,0,0]=3 4110 B13R0.54 COCCCCCCOCCC(=O)C 7a_200012092642_100000053229 [0,1,0,0,0,0|2,0,0]=3 4111 B13R0.54 COCCCCCCOCCC(=O)N 34a_100000757172_100011998445 [0,1,0,0,0,0|2,0,0]=3 4112 B13R0.54 COCCCCCCOCCC(=O)N 34a_200012092642_100000731001 [0,1,0,0,0,0|2,0,0]=3 4113 B13R0.54 COCCCCCCOCCC(=O)N 7a_100000757172_100011998445 [0,1,0,0,0,0|2,0,0]=3 4114 B13R0.54 COCCCCCCOCCC(=O)N 7a_200012092642_100000744528 [0,1,0,0,0,0|2,0,0]=3 4115 B13R0.54 COCCCCCCOCCC(C)O 34a_200012092642_100012276601 [0,1,0,0,0,0|2,0,1]=4 4116 B13R0.54 COCCCCCCOCCC(C)O 7a_200012092642_100012276601 [0,1,0,0,0,0|2,0,1]=4 4117 B13R0.54 COCCCCCCOCOC(=O)C 34a_200012092642_100009813279 [0,1,0,0,0,0|3,0,0]=4 4118 B13R0.54 COCCCCCCSCCC(=O)C 62a_100000053229_100011998445 [0,1,0,0,0,0|2,0,0]=3 4119 B13R0.54 COCCCCCCSCCC(=O)C 62a_100011998445_100000053229 [0,1,0,0,0,0|2,0,0]=3 4120 B13R0.54 COCCCCCCSCCC(=O)N 62a_100000744528_100011998445 [0,1,0,0,0,0|2,0,0]=3 4121 B13R0.54 COCCCCCCSCCC(=O)N 62a_100011998445_100000744528 [0,1,0,0,0,0|2,0,0]=3 4122 B13R0.54 COCCCCCCSCCC(C)O 62a_100011998445_100012276601 [0,1,0,0,0,0|2,0,1]=4 4123 B13R0.54 COCCCCCCSCCC(C)O 62a_100012276601_100011998445 [0,1,0,0,0,0|2,0,1]=4 4124 B13R0.54 COCCCCCCSCOC(=O)C 62a_100000076356_100011998445 [0,1,0,0,0,0|3,0,0]=4 4125 B13R0.54 COCCCCCCSCOC(=O)C 62a_100011998445_100000076356 [0,1,0,0,0,0|3,0,0]=4 4126 B13R0.54 COCCCCCNCCCC(=O)C 34a_100000747528_100000685027 [0,1,0,0,0,0|2,0,0]=3 4127 B13R0.54 COCCCCCNCCCC(=O)N 34a_100000747528_100102525003 [0,1,0,0,0,0|2,0,0]=3 4128 B13R0.54 COCCCCCNCCCC(C)O 2230a_100000747528_200000718107 [0,1,0,0,0,0|2,0,1]=4 4129 B13R0.54 COCCCCCNCCCC(C)O 34a_100000747528_200000718107 [0,1,0,0,0,0|2,0,1]=4 4130 B13R0.54 COCCCCCNCCNC(=O)C 2230a_100000747528_100000189650 [0,1,0,0,0,0|3,0,0]=4 4131 B13R0.54 COCCCCCNCCNC(=O)N 2230a_100000747528_200000034859 [0,1,0,0,0,0|3,0,0]=4 4132 B13R0.54 COCCCCCNCCOC(=O)C 34a_100000747528_100009814007 [0,1,0,0,0,0|3,0,0]=4 4133 B13R0.54 COCCCCCNCCOC(=O)N 34a_100000747528_200011214921 [0,1,0,0,0,0|3,0,0]=4 4134 B13R0.54 COCCCCNCCCCC(=O)N 34a_100000696515_100000755781 [0,1,0,0,0,0|2,0,0]=3 4135 B13R0.54 COCCCCNCCCNC(=O)C 34a_100000736810_100000755781 [0,1,0,0,0,0|3,0,0]=4 4136 B13R0.54 COCCCCNCCOCC(=O)O 269956a_100000700818_100000730899 [0,1,0,0,0,0|2,0,0]=3 4137 B13R0.54 COCCCCOCCCCB(O)O 34a_100000740925_200009817182 [0,1,0,0,0,0|2,0,1]=4 4138 B13R0.54 COCCCCOCCCCC(=O)C 34a_100000740925_100009817362 [0,1,0,0,0,0|2,0,0]=3 4139 B13R0.54 COCCCCOCCCCC(=O)N 34a_100012022536_100000755781 [0,1,0,0,0,0|2,0,0]=3 4140 B13R0.54 COCCCCOCCCCC(=O)N 7a_100012022536_100000730899 [0,1,0,0,0,0|2,0,0]=3 4141 B13R0.54 COCCCCOCCCC[N+](=O)[O-] 34a_200015379883_100000755781 [0,1,0,0,0,0|2,0,1]=4 4142 B13R0.54 COCCCCOCCCC[N+](=O)[O-] 7a_200015379883_100000730899 [0,1,0,0,0,0|2,0,1]=4 4143 B13R0.54 COCCCCOCCCNC(=O)C 34a_100000752032_100000755781 [0,1,0,0,0,0|3,0,0]=4 4144 B13R0.54 COCCCCOCCCOC(=O)C 34a_100000740925_100000042594 [0,1,0,0,0,0|3,0,0]=4 4145 B13R0.54 COCCCCOCCCSC(=O)C 34a_100000740925_100000038929 [0,1,0,0,0,0|3,0,0]=4 4146 B13R0.54 COCCCCOCCOCC(=O)N 34a_100000740925_100000076697 [0,1,0,0,0,0|3,0,0]=4 4147 B13R0.54 COCCCCSCCCCB(O)O 62a_100000730899_200009817182 [0,1,0,0,0,0|2,0,1]=4 4148 B13R0.54 COCCCCSCCCCB(O)O 62a_200009817182_100000730899 [0,1,0,0,0,0|2,0,1]=4 4149 B13R0.54 COCCCCSCCCCC(=O)C 62a_100000730899_100000735457 [0,1,0,0,0,0|2,0,0]=3 4150 B13R0.54 COCCCCSCCCCC(=O)C 62a_100000735457_100000730899 [0,1,0,0,0,0|2,0,0]=3 4151 B13R0.54 COCCCCSCCCOC(=O)C 62a_100000042594_100000730899 [0,1,0,0,0,0|3,0,0]=4 4152 B13R0.54 COCCCCSCCCOC(=O)C 62a_100000730899_100000042594 [0,1,0,0,0,0|3,0,0]=4 4153 B13R0.54 COCCCCSCCCSC(=O)C 62a_100000038929_100000730899 [0,1,0,0,0,0|3,0,0]=4 4154 B13R0.54 COCCCCSCCCSC(=O)C 62a_100000730899_100000038929 [0,1,0,0,0,0|3,0,0]=4 4155 B13R0.54 COCCCCSCCOCC(=O)N 62a_100000076697_100000730899 [0,1,0,0,0,0|3,0,0]=4 4156 B13R0.54 COCCCCSCCOCC(=O)N 62a_100000730899_100000076697 [0,1,0,0,0,0|3,0,0]=4 4157 B13R0.54 COCCCNCCCCCB(O)O 34a_100150723488_200009817188 [0,1,0,0,0,0|2,0,1]=4 4158 B13R0.54 COCCCNCCCCCC(=O)N 34a_100150723488_100009817443 [0,1,0,0,0,0|2,0,0]=3 4159 B13R0.54 COCCCNCCCCNC(=O)C 2230a_200011368371_100000740836 [0,1,0,0,0,0|3,0,0]=4 4160 B13R0.54 COCCCNCCCCNC(=O)C 34a_200011368371_100000740836 [0,1,0,0,0,0|3,0,0]=4 4161 B13R0.54 COCCCNCCCCOC(=O)C 34a_100150723488_100000033659 [0,1,0,0,0,0|3,0,0]=4 4162 B13R0.54 COCCCNCCCCSC(=O)C 34a_100150723488_200010402107 [0,1,0,0,0,0|3,0,0]=4 4163 B13R0.54 COCCCOCCCCCB(O)O 34a_100000740835_200009817188 [0,1,0,0,0,0|2,0,1]=4 4164 B13R0.54 COCCCOCCCCCC(=O)N 34a_100000123541_100000740836 [0,1,0,0,0,0|2,0,0]=3 4165 B13R0.54 COCCCOCCCCCC(=O)N 34a_100000740835_100009817443 [0,1,0,0,0,0|2,0,0]=3 4166 B13R0.54 COCCCOCCCCCC(=O)N 7a_100000123541_100000740836 [0,1,0,0,0,0|2,0,0]=3 4167 B13R0.54 COCCCOCCCCCC(=O)[O-] 7a_100102619762_100000740836 [0,1,0,0,0,0|1,0,1]=3 4168 B13R0.54 COCCCOCCCCOC(=O)C 34a_100000073216_100000740836 [0,1,0,0,0,0|3,0,0]=4 4169 B13R0.54 COCCCOCCCCOC(=O)C 34a_100000740835_100000033659 [0,1,0,0,0,0|3,0,0]=4 4170 B13R0.54 COCCCOCCCCOC(=O)C 7a_100000073216_100000740836 [0,1,0,0,0,0|3,0,0]=4 4171 B13R0.54 COCCCOCCCCSC(=O)C 34a_100000740835_200010402107 [0,1,0,0,0,0|3,0,0]=4 4172 B13R0.54 COCCCOCCCOCC(=O)N 34a_200011215475_100000187820 [0,1,0,0,0,0|3,0,0]=4 4173 B13R0.54 COCCCOCCCOCC(=O)N 7a_200011215475_100000187820 [0,1,0,0,0,0|3,0,0]=4 4174 B13R0.54 COCCCOCCCOCC(=O)[O-] 34a_200011215475_100020667443 [0,1,0,0,0,0|2,0,1]=4 4175 B13R0.54 COCCCSCCCCCB(O)O 62a_100000709357_200009817188 [0,1,0,0,0,0|2,0,1]=4 4176 B13R0.54 COCCCSCCCCCB(O)O 62a_200009817188_100000709357 [0,1,0,0,0,0|2,0,1]=4 4177 B13R0.54 COCCCSCCCCCC(=O)N 62a_100000709357_100009817443 [0,1,0,0,0,0|2,0,0]=3 4178 B13R0.54 COCCCSCCCCCC(=O)N 62a_100009817443_100000709357 [0,1,0,0,0,0|2,0,0]=3 4179 B13R0.54 COCCCSCCCCOC(=O)C 62a_100000033659_100000709357 [0,1,0,0,0,0|3,0,0]=4 4180 B13R0.54 COCCCSCCCCOC(=O)C 62a_100000709357_100000033659 [0,1,0,0,0,0|3,0,0]=4 4181 B13R0.54 COCCCSCCCCSC(=O)C 62a_100000709357_200010402107 [0,1,0,0,0,0|3,0,0]=4 4182 B13R0.54 COCCCSCCCCSC(=O)C 62a_200010402107_100000709357 [0,1,0,0,0,0|3,0,0]=4 4183 B13R0.54 COCCNCCCCCCB(O)O 2230a_100000209980_100009817187 [0,1,0,0,0,0|2,0,1]=4 4184 B13R0.54 COCCNCCCCCNC(=O)C 2230a_200012022750_100011201679 [0,1,0,0,0,0|3,0,0]=4 4185 B13R0.54 COCCNCCCCCNC(=O)C 34a_200012022750_100011201679 [0,1,0,0,0,0|3,0,0]=4 4186 B13R0.54 COCCNCCCCCOC(=O)C 2230a_100000209980_100009813381 [0,1,0,0,0,0|3,0,0]=4 4187 B13R0.54 COCCOCCCCCCB(O)O 34a_100000210237_100009817187 [0,1,0,0,0,0|2,0,1]=4 4188 B13R0.54 COCCOCCCCCOC(=O)C 34a_100000210237_100000033007 [0,1,0,0,0,0|3,0,0]=4 4189 B13R0.54 COCCOCCCNCCC(=O)N 2230a_100000206027_100000744528 [0,1,0,0,0,0|3,0,0]=4 4190 B13R0.54 COCCOCCCNCCC(=O)N 34a_100000206027_100000731001 [0,1,0,0,0,0|3,0,0]=4 4191 B13R0.54 COCCOCCCNOCC(=O)O 269956a_100000106656_100011216529 [0,1,0,0,0,0|3,0,0]=4 4192 B13R0.54 COCCOCCCOCCC(=O)C 34a_100000759926_100011216529 [0,1,0,0,0,0|3,0,0]=4 4193 B13R0.54 COCCOCCCOCCC(=O)C 7a_100000759926_100011216529 [0,1,0,0,0,0|3,0,0]=4 4194 B13R0.54 COCCOCCCOCCC(=O)N 34a_100000757172_100011216529 [0,1,0,0,0,0|3,0,0]=4 4195 B13R0.54 COCCOCCCOCCC(=O)N 7a_100000757172_100011216529 [0,1,0,0,0,0|3,0,0]=4 4196 B13R0.54 COCCOCCCSCCC(=O)C 62a_100000053229_100011216529 [0,1,0,0,0,0|3,0,0]=4 4197 B13R0.54 COCCOCCCSCCC(=O)C 62a_100011216529_100000053229 [0,1,0,0,0,0|3,0,0]=4 4198 B13R0.54 COCCOCCCSCCC(=O)N 62a_100000744528_100011216529 [0,1,0,0,0,0|3,0,0]=4 4199 B13R0.54 COCCOCCCSCCC(=O)N 62a_100011216529_100000744528 [0,1,0,0,0,0|3,0,0]=4 4200 B13R0.54 COCCOCCNCCCC(=O)C 34a_100000745349_100000685027 [0,1,0,0,0,0|3,0,0]=4 4201 B13R0.54 COCCOCCNCCCC(=O)N 34a_100000739312_100000695917 [0,1,0,0,0,0|3,0,0]=4 4202 B13R0.54 COCCOCCNCCCC(=O)N 34a_100000745349_100102525003 [0,1,0,0,0,0|3,0,0]=4 4203 B13R0.54 COCCOCCOCCCC(=O)C 34a_100000759063_100000695917 [0,1,0,0,0,0|3,0,0]=4 4204 B13R0.54 COCCOCCOCCCC(=O)C 34a_100011215163_100000685027 [0,1,0,0,0,0|3,0,0]=4 4205 B13R0.54 COCCOCCOCCCC(=O)C 7a_100000759063_100000695917 [0,1,0,0,0,0|3,0,0]=4 4206 B13R0.54 COCCOCCOCCCC(=O)C 7a_100011215163_100011215641 [0,1,0,0,0,0|3,0,0]=4 4207 B13R0.54 COCCOCCOCCCC(=O)N 34a_100011215163_100102525003 [0,1,0,0,0,0|3,0,0]=4 4208 B13R0.54 COCCOCCOCCCC(=O)N 7a_100011215163_100102525003 [0,1,0,0,0,0|3,0,0]=4 4209 B13R0.54 COCCOCCSCCCC(=O)C 62a_100000695917_100011215641 [0,1,0,0,0,0|3,0,0]=4 4210 B13R0.54 COCCOCCSCCCC(=O)C 62a_100011215641_100000695917 [0,1,0,0,0,0|3,0,0]=4 4211 B13R0.54 COCCOCCSCCCC(=O)N 62a_100000695917_100102525003 [0,1,0,0,0,0|3,0,0]=4 4212 B13R0.54 COCCOCCSCCCC(=O)N 62a_100102525003_100000695917 [0,1,0,0,0,0|3,0,0]=4 4213 B13R0.54 COCCOCNCCOCC(=O)O 269956a_100000700818_100000231047 [0,1,0,0,0,0|3,0,0]=4 4214 B13R0.54 COCCOCSCCCCC(=O)C 62a_100000231047_100000735457 [0,1,0,0,0,0|3,0,0]=4 4215 B13R0.54 COCCOCSCCCCC(=O)C 62a_100000735457_100000231047 [0,1,0,0,0,0|3,0,0]=4 4216 B13R0.54 COCCSCCCCCCB(O)O 62a_100000233755_100009817187 [0,1,0,0,0,0|2,0,1]=4 4217 B13R0.54 COCCSCCCCCCB(O)O 62a_100009817187_100000233755 [0,1,0,0,0,0|2,0,1]=4 4218 B13R0.54 COCCSCCCCCOC(=O)C 62a_100000033007_100000233755 [0,1,0,0,0,0|3,0,0]=4 4219 B13R0.54 COCCSCCCCCOC(=O)C 62a_100000233755_100000033007 [0,1,0,0,0,0|3,0,0]=4 4220 B13R0.54 COCNCCCCCCNC(=O)C 2230a_200011996284_100000766300 [0,1,0,0,0,0|3,0,0]=4 4221 B13R0.54 COCNCCOCCOCC(=O)O 269956a_100009854275_100000766300 [0,1,0,0,0,0|3,0,0]=4 4222 B13R0.54 CS(=O)CCCNCCCCCCF 2230a_200000753449_100015922095 [0,1,0,0,0,0|3,0,0]=4 4223 B13R0.54 CS(=O)CCCNCCCCCCO 2230a_200000753449_100000766143 [0,1,0,0,0,0|3,0,0]=4 4224 B13R0.54 CSCCCCOCCCCB(O)O 34a_100011217163_200009817182 [0,1,0,0,0,0|2,0,1]=4 4225 B13R0.54 CSCCCCOCCCCB(O)O 7a_100011217163_200009817182 [0,1,0,0,0,0|2,0,1]=4 4226 B13R0.54 CSCCCCOCCCCC(=O)C 34a_100011217163_100009817362 [0,1,0,0,0,0|2,0,0]=3 4227 B13R0.54 CSCCCCOCCCCC(=O)C 7a_100011217163_100000735457 [0,1,0,0,0,0|2,0,0]=3 4228 B13R0.54 CSCCCCOCCCOC(=O)C 34a_100011217163_100000042594 [0,1,0,0,0,0|3,0,0]=4 4229 B13R0.54 CSCCCCOCCCOC(=O)C 7a_100011217163_100000042594 [0,1,0,0,0,0|3,0,0]=4 4230 B13R0.54 CSCCCCOCCCSC(=O)C 34a_100011217163_100000038929 [0,1,0,0,0,0|3,0,0]=4 4231 B13R0.54 CSCCCCOCCCSC(=O)C 7a_100011217163_100000038929 [0,1,0,0,0,0|3,0,0]=4 4232 B13R0.54 CSCCCCOCCOCC(=O)N 34a_100011217163_100000076697 [0,1,0,0,0,0|3,0,0]=4 4233 B13R0.54 CSCCCCOCCOCC(=O)N 7a_100011217163_100000076697 [0,1,0,0,0,0|3,0,0]=4 4234 B13R0.54 CSCCCNCCCCCB(O)O 2230a_100000749238_200009817188 [0,1,0,0,0,0|2,0,1]=4 4235 B13R0.54 CSCCCNCCCCCC(=O)N 2230a_100000749238_100009817443 [0,1,0,0,0,0|2,0,0]=3 4236 B13R0.54 CSCCCNCCCCSC(=O)C 2230a_100000749238_200010402107 [0,1,0,0,0,0|3,0,0]=4 4237 B13R0.54 CSCCCOCCCCCB(O)O 34a_100000690336_200009817188 [0,1,0,0,0,0|2,0,1]=4 4238 B13R0.54 CSCCCOCCCCCB(O)O 7a_100000690336_200009817188 [0,1,0,0,0,0|2,0,1]=4 4239 B13R0.54 CSCCCOCCCCCC(=O)N 34a_100000690336_100009817443 [0,1,0,0,0,0|2,0,0]=3 4240 B13R0.54 CSCCCOCCCCCC(=O)N 7a_100000690336_100009817443 [0,1,0,0,0,0|2,0,0]=3 4241 B13R0.54 CSCCCOCCCCOC(=O)C 34a_100000690336_100000033659 [0,1,0,0,0,0|3,0,0]=4 4242 B13R0.54 CSCCCOCCCCOC(=O)C 7a_100000690336_100000033659 [0,1,0,0,0,0|3,0,0]=4 4243 B13R0.54 CSCCCOCCCCSC(=O)C 34a_100000690336_200010402107 [0,1,0,0,0,0|3,0,0]=4 4244 B13R0.54 CSCCCOCCCCSC(=O)C 7a_100000690336_200010402107 [0,1,0,0,0,0|3,0,0]=4 4245 B13R0.54 CSCCNCCCCCCB(O)O 2230a_100020590264_100009817187 [0,1,0,0,0,0|2,0,1]=4 4246 B13R0.54 CSCCNCCCCCNC(=O)C 2230a_200012022750_100000751147 [0,1,0,0,0,0|3,0,0]=4 4247 B13R0.54 CSCCNCCCCCNC(=O)C 34a_200012022750_100000212216 [0,1,0,0,0,0|3,0,0]=4 4248 B13R0.54 CSCCNCCCCCOC(=O)C 2230a_100020590264_100009813381 [0,1,0,0,0,0|3,0,0]=4 4249 B13R0.54 CSCCOCCCCCCB(O)O 34a_100000230434_100009817187 [0,1,0,0,0,0|2,0,1]=4 4250 B13R0.54 CSCCOCCCCCCB(O)O 7a_100000230434_100009817187 [0,1,0,0,0,0|2,0,1]=4 4251 B13R0.54 CSCCOCCCCCOC(=O)C 34a_100000230434_100000033007 [0,1,0,0,0,0|3,0,0]=4 4252 B13R0.54 CSCCOCCCCCOC(=O)C 7a_100000230434_100000033007 [0,1,0,0,0,0|3,0,0]=4 4253 B13R0.54 CSCCSCCCCCCB(O)O 62a_100000212216_100009817187 [0,1,0,0,0,0|2,0,1]=4 4254 B13R0.54 CSCCSCCCCCCB(O)O 62a_100009817187_100000751147 [0,1,0,0,0,0|2,0,1]=4 4255 B13R0.54 CSCCSCCCCCOC(=O)C 62a_100000033007_100000751147 [0,1,0,0,0,0|3,0,0]=4 4256 B13R0.54 CSCCSCCCCCOC(=O)C 62a_100000212216_100000033007 [0,1,0,0,0,0|3,0,0]=4 4257 B13R0.54 CSCNCCCCCCNC(=O)C 2230a_200011996284_100011218213 [0,1,0,0,0,0|3,0,0]=4 4258 B13R0.54 CSCNCCCCCCNC(=O)C 34a_200011996284_100011218213 [0,1,0,0,0,0|3,0,0]=4 4259 B13R0.54 CSCNCCOCCOCC(=O)O 269956a_100009854275_100011218213 [0,1,0,0,0,0|3,0,0]=4 4260 B13R0.54 C[C@@H](O)CNCCCCCCCCO 2230a_102515433106_100009817552 [0,1,0,0,0,0|2,0,1]=4 4261 B13R0.54 C[C@@H](O)CNCCCCCCCCO 34a_102515433106_100009817552 [0,1,0,0,0,0|2,0,1]=4 4262 B13R0.54 C[C@@H](O)COCCCCCCCCBr 34a_100009813846_100009817552 [0,1,0,0,0,0|2,0,1]=4 4263 B13R0.54 C[C@@H](O)COCCCCCCCCBr 7a_100009813846_100009817552 [0,1,0,0,0,0|2,0,1]=4 4264 B13R0.54 C[C@@H](O)COCCCCCCCCCl 34a_100000033203_100009817552 [0,1,0,0,0,0|2,0,1]=4 4265 B13R0.54 C[C@@H](O)COCCCCCCCCCl 7a_100000033203_100009817552 [0,1,0,0,0,0|2,0,1]=4 4266 B13R0.54 C[C@@H](O)COCCCCCCCCN 34a_102515433106_100009817552 [0,1,0,0,0,0|2,0,1]=4 4267 B13R0.54 C[C@@H](O)CSCCCCCCCCO 62a_100000033203_100009817552 [0,1,0,0,0,0|2,0,1]=4 4268 B13R0.54 C[C@@H](O)CSCCCCCCCCO 62a_100009817552_100000033203 [0,1,0,0,0,0|2,0,1]=4 4269 B13R0.54 N#CCCCCCCNOCC(=O)O 269956a_100000106656_100009813337 [0,1,0,0,0,0|2,0,1]=4 4270 B13R0.54 N#CCCCCCCOCCC(=O)N 7a_100000757172_100009813337 [0,1,0,0,0,0|2,0,1]=4 4271 B13R0.54 N#CCCCCCCSCCC(=O)N 62a_100000744528_100009813337 [0,1,0,0,0,0|2,0,1]=4 4272 B13R0.54 N#CCCCCCCSCCC(=O)N 62a_100009813337_100000744528 [0,1,0,0,0,0|2,0,1]=4 4273 B13R0.54 N#CCCCCCSCCCC(=O)N 62a_100009813376_100102525003 [0,1,0,0,0,0|2,0,1]=4 4274 B13R0.54 N#CCCCCCSCCCC(=O)N 62a_100102525003_100009813376 [0,1,0,0,0,0|2,0,1]=4 4275 B13R0.54 N#CCCCCNCCOCC(=O)O 269956a_100000700818_100011219923 [0,1,0,0,0,0|2,0,1]=4 4276 B13R0.54 N#CCCCCOCCCCC(=O)N 7a_100012022536_100000211819 [0,1,0,0,0,0|2,0,1]=4 4277 B13R0.54 N#CCCCOCCCCCC(=O)N 7a_100000123541_100000687738 [0,1,0,0,0,0|2,0,1]=4 4278 B13R0.54 N#CCCCOCCCCCC(=O)[O-] 7a_100102619762_100000687738 [0,1,0,0,0,0|1,0,2]=4 4279 B13R0.54 N#CCCCSCCCCCC(=O)N 62a_100000687738_100009817443 [0,1,0,0,0,0|2,0,1]=4 4280 B13R0.54 N#CCCCSCCCCCC(=O)N 62a_100009817443_100000687738 [0,1,0,0,0,0|2,0,1]=4 4281 B13R0.54 NC(=O)CCCCCNCCCCO 2230a_100000750430_100009817443 [0,1,0,0,0,0|2,0,0]=3 4282 B13R0.54 NC(=O)CCCCCNCCCCO 34a_100000750430_100009817443 [0,1,0,0,0,0|2,0,0]=3 4283 B13R0.54 NC(=O)CCCCCOCCCC=O 7a_100000123541_200011292268 [0,1,0,0,0,0|2,0,1]=4 4284 B13R0.54 NC(=O)CCCCCOCCCCBr 34a_100011216708_100009817443 [0,1,0,0,0,0|2,0,0]=3 4285 B13R0.54 NC(=O)CCCCCOCCCCCl 34a_100000210776_100009817443 [0,1,0,0,0,0|2,0,0]=3 4286 B13R0.54 NC(=O)CCCCCOCCCCCl 7a_100000210776_100009817443 [0,1,0,0,0,0|2,0,0]=3 4287 B13R0.54 NC(=O)CCCCCOCCCCF 34a_100000123541_100000729493 [0,1,0,0,0,0|2,0,0]=3 4288 B13R0.54 NC(=O)CCCCCOCCCCF 34a_100011995726_100009817443 [0,1,0,0,0,0|2,0,0]=3 4289 B13R0.54 NC(=O)CCCCCOCCCCF 7a_100000123541_100000729493 [0,1,0,0,0,0|2,0,0]=3 4290 B13R0.54 NC(=O)CCCCCOCCCCF 7a_100011995726_100009817443 [0,1,0,0,0,0|2,0,0]=3 4291 B13R0.54 NC(=O)CCCCCOCCCCI 34a_200012148704_100009817443 [0,1,0,0,0,0|2,0,0]=3 4292 B13R0.54 NC(=O)CCCCCOCCCCO 34a_100000123541_100011216708 [0,1,0,0,0,0|2,0,0]=3 4293 B13R0.54 NC(=O)CCCCCOCCCCO 7a_100000123541_100000210776 [0,1,0,0,0,0|2,0,0]=3 4294 B13R0.54 NC(=O)CCCCCSCCCC=O 62a_100009817443_200011292268 [0,1,0,0,0,0|2,0,1]=4 4295 B13R0.54 NC(=O)CCCCCSCCCC=O 62a_200011292268_100009817443 [0,1,0,0,0,0|2,0,1]=4 4296 B13R0.54 NC(=O)CCCCCSCCCCF 62a_100000729493_100009817443 [0,1,0,0,0,0|2,0,0]=3 4297 B13R0.54 NC(=O)CCCCCSCCCCF 62a_100009817443_100000729493 [0,1,0,0,0,0|2,0,0]=3 4298 B13R0.54 NC(=O)CCCCCSCCCCO 62a_100000210776_100009817443 [0,1,0,0,0,0|2,0,0]=3 4299 B13R0.54 NC(=O)CCCCCSCCCCO 62a_100009817443_100000210776 [0,1,0,0,0,0|2,0,0]=3 4300 B13R0.54 NC(=O)CCCCNCCCCCF 34a_100000696515_100000729378 [0,1,0,0,0,0|2,0,0]=3 4301 B13R0.54 NC(=O)CCCCNCCCCCO 34a_100000696515_100000746330 [0,1,0,0,0,0|2,0,0]=3 4302 B13R0.54 NC(=O)CCCCNCCOCCO 34a_100000696515_100000692535 [0,1,0,0,0,0|3,0,0]=4 4303 B13R0.54 NC(=O)CCCCOCCCCC=O 7a_100012022536_100000139335 [0,1,0,0,0,0|2,0,1]=4 4304 B13R0.54 NC(=O)CCCCOCCCCCF 34a_100012022536_100000729378 [0,1,0,0,0,0|2,0,0]=3 4305 B13R0.54 NC(=O)CCCCOCCCCCF 7a_100012022536_100000729378 [0,1,0,0,0,0|2,0,0]=3 4306 B13R0.54 NC(=O)CCCCOCCCCCO 34a_100012022536_100000746330 [0,1,0,0,0,0|2,0,0]=3 4307 B13R0.54 NC(=O)CCCCOCCCCCO 7a_100012022536_100000746330 [0,1,0,0,0,0|2,0,0]=3 4308 B13R0.54 NC(=O)CCCCOCCOCCO 34a_100012022536_100000692535 [0,1,0,0,0,0|3,0,0]=4 4309 B13R0.54 NC(=O)CCCCOCCOCCO 7a_100012022536_100011215305 [0,1,0,0,0,0|3,0,0]=4 4310 B13R0.54 NC(=O)CCCNCCCCCCF 34a_100000739312_100015922095 [0,1,0,0,0,0|2,0,0]=3 4311 B13R0.54 NC(=O)CCCNCCCCCCO 34a_100000686447_100102525003 [0,1,0,0,0,0|2,0,0]=3 4312 B13R0.54 NC(=O)CCCNCCCCCCO 34a_100000739312_100000766143 [0,1,0,0,0,0|2,0,0]=3 4313 B13R0.54 NC(=O)CCCOCCCCCCBr 34a_100011215345_100102525003 [0,1,0,0,0,0|2,0,0]=3 4314 B13R0.54 NC(=O)CCCOCCCCCCBr 7a_100011215345_100102525003 [0,1,0,0,0,0|2,0,0]=3 4315 B13R0.54 NC(=O)CCCOCCCCCCCl 34a_100000766143_100102525003 [0,1,0,0,0,0|2,0,0]=3 4316 B13R0.54 NC(=O)CCCOCCCCCCCl 7a_100000766143_100102525003 [0,1,0,0,0,0|2,0,0]=3 4317 B13R0.54 NC(=O)CCCOCCCCCCF 34a_100000732779_100102525003 [0,1,0,0,0,0|2,0,0]=3 4318 B13R0.54 NC(=O)CCCOCCCCCCF 7a_100000732779_100102525003 [0,1,0,0,0,0|2,0,0]=3 4319 B13R0.54 NC(=O)CCCSCCCCCC=O 62a_100000139337_100102525003 [0,1,0,0,0,0|2,0,1]=4 4320 B13R0.54 NC(=O)CCCSCCCCCC=O 62a_100102525003_100000139337 [0,1,0,0,0,0|2,0,1]=4 4321 B13R0.54 NC(=O)CCCSCCCCCCF 62a_100015922095_100102525003 [0,1,0,0,0,0|2,0,0]=3 4322 B13R0.54 NC(=O)CCCSCCCCCCF 62a_100102525003_100015922095 [0,1,0,0,0,0|2,0,0]=3 4323 B13R0.54 NC(=O)CCCSCCCCCCO 62a_100000766143_100102525003 [0,1,0,0,0,0|2,0,0]=3 4324 B13R0.54 NC(=O)CCCSCCCCCCO 62a_100102525003_100000766143 [0,1,0,0,0,0|2,0,0]=3 4325 B13R0.54 NC(=O)CCNCCCCCCCO 2230a_100011996573_100000744528 [0,1,0,0,0,0|2,0,0]=3 4326 B13R0.54 NC(=O)CCNCCCCCCCO 34a_100011996573_100000731001 [0,1,0,0,0,0|2,0,0]=3 4327 B13R0.54 NC(=O)CCNCCCOCCCO 2230a_100011310245_100000744528 [0,1,0,0,0,0|3,0,0]=4 4328 B13R0.54 NC(=O)CCNCCCOCCCO 34a_100011310245_100000731001 [0,1,0,0,0,0|3,0,0]=4 4329 B13R0.54 NC(=O)CCOCCCCCCCBr 34a_100000760002_100000731001 [0,1,0,0,0,0|2,0,0]=3 4330 B13R0.54 NC(=O)CCOCCCCCCCBr 7a_100000760002_100000744528 [0,1,0,0,0,0|2,0,0]=3 4331 B13R0.54 NC(=O)CCOCCCCCCCO 34a_100000757172_100000760002 [0,1,0,0,0,0|2,0,0]=3 4332 B13R0.54 NC(=O)CCOCCCCCCCO 7a_100000757172_100000760002 [0,1,0,0,0,0|2,0,0]=3 4333 B13R0.54 NC(=O)CCSCCCCCCCO 62a_100000744528_100000760002 [0,1,0,0,0,0|2,0,0]=3 4334 B13R0.54 NC(=O)CCSCCCCCCCO 62a_100000760002_100000744528 [0,1,0,0,0,0|2,0,0]=3 4335 B13R0.54 NC(=O)CNCCCCCCCCO 2230a_100000711301_100000033203 [0,1,0,0,0,0|2,0,0]=3 4336 B13R0.54 NC(=O)CNCCCCCCCCO 2230a_102515433106_100000747473 [0,1,0,0,0,0|2,0,0]=3 4337 B13R0.54 NC(=O)CNCCCCCCCCO 34a_102515433106_100000187820 [0,1,0,0,0,0|2,0,0]=3 4338 B13R0.54 NC(=O)COCCCCCCCCBr 34a_100009813846_100000187820 [0,1,0,0,0,0|2,0,0]=3 4339 B13R0.54 NC(=O)COCCCCCCCCBr 7a_100009813846_100000187820 [0,1,0,0,0,0|2,0,0]=3 4340 B13R0.54 NC(=O)COCCCCCCCCCl 34a_100000033203_100000187820 [0,1,0,0,0,0|2,0,0]=3 4341 B13R0.54 NC(=O)COCCCCCCCCCl 7a_100000033203_100000187820 [0,1,0,0,0,0|2,0,0]=3 4342 B13R0.54 NC(=O)COCCNCCCCCO 2230a_100000762737_100000076697 [0,1,0,0,0,0|3,0,0]=4 4343 B13R0.54 NC(=O)COCCNCCCCCO 34a_100000762737_100000076697 [0,1,0,0,0,0|3,0,0]=4 4344 B13R0.54 NC(=O)COCCOCCCCCBr 34a_100000746331_100000076697 [0,1,0,0,0,0|3,0,0]=4 4345 B13R0.54 NC(=O)COCCOCCCCCBr 7a_100000746331_100000076697 [0,1,0,0,0,0|3,0,0]=4 4346 B13R0.54 NC(=O)COCCOCCCCCCl 34a_100000746330_100000076697 [0,1,0,0,0,0|3,0,0]=4 4347 B13R0.54 NC(=O)COCCOCCCCCCl 7a_100000746330_100000076697 [0,1,0,0,0,0|3,0,0]=4 4348 B13R0.54 NC(=O)COCCOCCCCCI 34a_200012148887_100000076697 [0,1,0,0,0,0|3,0,0]=4 4349 B13R0.54 NC(=O)COCCOCCCCCI 7a_200012148887_100000076697 [0,1,0,0,0,0|3,0,0]=4 4350 B13R0.54 NC(=O)COCCSCCCCCF 62a_100000076697_100000729378 [0,1,0,0,0,0|3,0,0]=4 4351 B13R0.54 NC(=O)COCCSCCCCCF 62a_100000729378_100000076697 [0,1,0,0,0,0|3,0,0]=4 4352 B13R0.54 NC(=O)COCCSCCCCCO 62a_100000076697_100000746330 [0,1,0,0,0,0|3,0,0]=4 4353 B13R0.54 NC(=O)COCCSCCCCCO 62a_100000746330_100000076697 [0,1,0,0,0,0|3,0,0]=4 4354 B13R0.54 NC(=O)CSCCCCCCCCO 62a_100000033203_100000747473 [0,1,0,0,0,0|2,0,0]=3 4355 B13R0.54 NC(=O)CSCCCCCCCCO 62a_100000747473_100000033203 [0,1,0,0,0,0|2,0,0]=3 4356 B13R0.54 NC(=O)NCCNCCCCCCF 34a_100020590234_100015922095 [0,1,0,0,0,0|3,0,0]=4 4357 B13R0.54 NC(=O)NCCNCCCCCCO 2230a_100000686447_200000034859 [0,1,0,0,0,0|3,0,0]=4 4358 B13R0.54 NC(=O)NCCNCCCCCCO 34a_100020590234_100000766143 [0,1,0,0,0,0|3,0,0]=4 4359 B13R0.54 NC(=O)NCCOCCCCCCBr 7a_100011215345_200000034859 [0,1,0,0,0,0|3,0,0]=4 4360 B13R0.54 NC(=O)NCCOCCCCCCCl 7a_100000766143_200000034859 [0,1,0,0,0,0|3,0,0]=4 4361 B13R0.54 NC(=O)NCCOCCCCCCF 34a_100000181757_100015922095 [0,1,0,0,0,0|3,0,0]=4 4362 B13R0.54 NC(=O)NCCOCCCCCCF 7a_100000732779_200000034859 [0,1,0,0,0,0|3,0,0]=4 4363 B13R0.54 NC(=O)NCCOCCCCCCO 34a_100000181757_100000766143 [0,1,0,0,0,0|3,0,0]=4 4364 B13R0.54 NC(=O)NCCSCCCCCCF 62a_100015922095_200000034859 [0,1,0,0,0,0|3,0,0]=4 4365 B13R0.54 NC(=O)NCCSCCCCCCF 62a_200000034859_100015922095 [0,1,0,0,0,0|3,0,0]=4 4366 B13R0.54 NC(=O)NCCSCCCCCCO 62a_100000766143_200000034859 [0,1,0,0,0,0|3,0,0]=4 4367 B13R0.54 NC(=O)NCCSCCCCCCO 62a_200000034859_100000766143 [0,1,0,0,0,0|3,0,0]=4 4368 B13R0.54 NC(=O)OCCNCCCCCCO 34a_100000686447_200011214921 [0,1,0,0,0,0|3,0,0]=4 4369 B13R0.54 NC(=O)OCCOCCCCCCBr 34a_100011215345_200011214921 [0,1,0,0,0,0|3,0,0]=4 4370 B13R0.54 NC(=O)OCCOCCCCCCBr 7a_100011215345_200011214921 [0,1,0,0,0,0|3,0,0]=4 4371 B13R0.54 NC(=O)OCCOCCCCCCCl 34a_100000766143_200011214921 [0,1,0,0,0,0|3,0,0]=4 4372 B13R0.54 NC(=O)OCCOCCCCCCCl 7a_100000766143_200011214921 [0,1,0,0,0,0|3,0,0]=4 4373 B13R0.54 NC(=O)OCCOCCCCCCF 34a_100000732779_200011214921 [0,1,0,0,0,0|3,0,0]=4 4374 B13R0.54 NC(=O)OCCOCCCCCCF 7a_100000732779_200011214921 [0,1,0,0,0,0|3,0,0]=4 4375 B13R0.54 NC(=O)OCCOCCCCCCF 7a_100000766696_100015922095 [0,1,0,0,0,0|3,0,0]=4 4376 B13R0.54 NC(=O)OCCOCCCCCCO 7a_100000766696_100000766143 [0,1,0,0,0,0|3,0,0]=4 4377 B13R0.54 NC(=O)OCCSCCCCCCF 62a_100015922095_200011214921 [0,1,0,0,0,0|3,0,0]=4 4378 B13R0.54 NC(=O)OCCSCCCCCCF 62a_200011214921_100015922095 [0,1,0,0,0,0|3,0,0]=4 4379 B13R0.54 NC(=O)OCCSCCCCCCO 62a_100000766143_200011214921 [0,1,0,0,0,0|3,0,0]=4 4380 B13R0.54 NC(=O)OCCSCCCCCCO 62a_200011214921_100000766143 [0,1,0,0,0,0|3,0,0]=4 4381 B13R0.54 NCCCCCCCCOCC(=O)N 34a_102515433106_100000187820 [0,1,0,0,0,0|2,0,0]=3 4382 B13R0.54 NCCCCCCCCOCC(=O)[O-] 34a_102515433106_100020667443 [0,1,0,0,0,0|1,0,1]=3 4383 B13R0.54 NCCCCCCCCOC[N+](=O)[O-] 34a_102515433106_100000761209 [0,1,0,0,0,0|2,0,1]=4 4384 B13R0.54 NCCCCCCCOCCC(=O)N 34a_100011996573_100000731001 [0,1,0,0,0,0|2,0,0]=3 4385 B13R0.54 NCCCCCCOCCCC(=O)N 34a_100000686447_100102525003 [0,1,0,0,0,0|2,0,0]=3 4386 B13R0.54 NCCCCCCOCCOC(=O)N 34a_100000686447_200011214921 [0,1,0,0,0,0|3,0,0]=4 4387 B13R0.54 NCCCCCOCCCCB(O)O 34a_100000762737_200009817182 [0,1,0,0,0,0|2,0,1]=4 4388 B13R0.54 NCCCCCOCCOCC(=O)N 34a_100000762737_100000076697 [0,1,0,0,0,0|3,0,0]=4 4389 B13R0.54 NCCCCOCCCCCB(O)O 34a_100000750430_200009817188 [0,1,0,0,0,0|2,0,1]=4 4390 B13R0.54 NCCCCOCCCCCC(=O)N 34a_100000750430_100009817443 [0,1,0,0,0,0|2,0,0]=3 4391 B13R0.54 NCCCOCCCCCCB(O)O 34a_100000182051_100009817187 [0,1,0,0,0,0|2,0,1]=4 4392 B13R0.54 NCCCOCCCOCCC(=O)N 34a_100011310245_100000731001 [0,1,0,0,0,0|3,0,0]=4 4393 B13R0.54 NCCNCCCCCOCC(=O)N 34a_103619048469_100000187820 [0,1,0,0,0,0|3,0,0]=4 4394 B13R0.54 NCCNCCCCCOCC(=O)[O-] 34a_103619048469_100020667443 [0,1,0,0,0,0|2,0,1]=4 4395 B13R0.54 O=C(O)CNCCCCCCCCO 269956a_100016091260_100000033203 [0,1,0,0,0,0|1,0,0]=2 4396 B13R0.54 O=C(O)CNCCOCCOCCO 269956a_100016091260_100000032323 [0,1,0,0,0,0|3,0,0]=4 4397 B13R0.54 O=C(O)COCCNCCCCCF 269956a_100000700818_100000729378 [0,1,0,0,0,0|2,0,0]=3 4398 B13R0.54 O=C(O)COCCNCCCCCO 269956a_100000700818_100000746330 [0,1,0,0,0,0|2,0,0]=3 4399 B13R0.54 O=C(O)COCCNCCOCCO 269956a_100000700818_100011215305 [0,1,0,0,0,0|3,0,0]=4 4400 B13R0.54 O=C(O)COCCOCCNCCF 269956a_100009854275_100011217306 [0,1,0,0,0,0|3,0,0]=4 4401 B13R0.54 O=C(O)COCCOCCNCCO 269956a_100009854275_100000211926 [0,1,0,0,0,0|3,0,0]=4 4402 B13R0.54 O=C(O)CONCCCCCCCO 269956a_100000106656_100000760002 [0,1,0,0,0,0|2,0,0]=3 4403 B13R0.54 O=C([O-])CCCCCOCCCCF 7a_100102619762_100000729493 [0,1,0,0,0,0|1,0,1]=3 4404 B13R0.54 O=C([O-])CCCCCOCCCCO 7a_100102619762_100000210776 [0,1,0,0,0,0|1,0,1]=3 4405 B13R0.54 O=C([O-])CNCCCCCCCCO 34a_102515433106_100020667443 [0,1,0,0,0,0|1,0,1]=3 4406 B13R0.54 O=C([O-])COCCCCCCCCBr 34a_100009813846_100020667443 [0,1,0,0,0,0|1,0,1]=3 4407 B13R0.54 O=C([O-])COCCCCCCCCCl 34a_100000033203_100020667443 [0,1,0,0,0,0|1,0,1]=3 4408 B13R0.54 O=C([O-])CSCCCCCCCCO 62a_100000033203_100020667443 [0,1,0,0,0,0|1,0,1]=3 4409 B13R0.54 O=C([O-])CSCCCCCCCCO 62a_100020667443_100000033203 [0,1,0,0,0,0|1,0,1]=3 4410 B13R0.54 O=CCCCCNCCOCC(=O)O 269956a_100000700818_100000139335 [0,1,0,0,0,0|2,0,1]=4 4411 B13R0.54 O=CCCCOCCCCCC(=O)[O-] 7a_100102619762_200011292268 [0,1,0,0,0,0|1,0,2]=4 4412 B13R0.54 O=[N+]([O-])CCCCOCCCCCF 34a_200015379883_100000729378 [0,1,0,0,0,0|2,0,1]=4 4413 B13R0.54 O=[N+]([O-])CCCCOCCCCCF 7a_200015379883_100000729378 [0,1,0,0,0,0|2,0,1]=4 4414 B13R0.54 O=[N+]([O-])CCCCOCCCCCO 34a_200015379883_100000746330 [0,1,0,0,0,0|2,0,1]=4 4415 B13R0.54 O=[N+]([O-])CCCCOCCCCCO 7a_200015379883_100000746330 [0,1,0,0,0,0|2,0,1]=4 4416 B13R0.54 O=[N+]([O-])CCCOCCCCCCF 34a_200000037920_100015922095 [0,1,0,0,0,0|2,0,1]=4 4417 B13R0.54 O=[N+]([O-])CCCOCCCCCCO 34a_200000037920_100000766143 [0,1,0,0,0,0|2,0,1]=4 4418 B13R0.54 O=[N+]([O-])CNCCCCCCCCO 34a_102515433106_100000761209 [0,1,0,0,0,0|2,0,1]=4 4419 B13R0.54 O=[N+]([O-])COCCCCCCCCBr 34a_100009813846_100000761209 [0,1,0,0,0,0|2,0,1]=4 4420 B13R0.54 O=[N+]([O-])COCCCCCCCCCl 34a_100000033203_100000761209 [0,1,0,0,0,0|2,0,1]=4 4421 B13R0.54 O=[N+]([O-])CSCCCCCCCCO 62a_100000033203_100000761209 [0,1,0,0,0,0|2,0,1]=4 4422 B13R0.54 OB(O)CCCCCCNCCCF 2230a_100015189416_100009817187 [0,1,0,0,0,0|2,0,1]=4 4423 B13R0.54 OB(O)CCCCCCNCCCF 34a_100015189416_100009817187 [0,1,0,0,0,0|2,0,1]=4 4424 B13R0.54 OB(O)CCCCCCOCCCBr 34a_100011217188_100009817187 [0,1,0,0,0,0|2,0,1]=4 4425 B13R0.54 OB(O)CCCCCCOCCCCl 34a_100000230001_100009817187 [0,1,0,0,0,0|2,0,1]=4 4426 B13R0.54 OB(O)CCCCCCOCCCF 34a_100000759539_100009817187 [0,1,0,0,0,0|2,0,1]=4 4427 B13R0.54 OB(O)CCCCCCSCCCF 62a_100009817187_100011934791 [0,1,0,0,0,0|2,0,1]=4 4428 B13R0.54 OB(O)CCCCCCSCCCF 62a_100011934791_100009817187 [0,1,0,0,0,0|2,0,1]=4 4429 B13R0.54 OB(O)CCCCCOCCCCBr 34a_100011216708_200009817188 [0,1,0,0,0,0|2,0,1]=4 4430 B13R0.54 OB(O)CCCCCOCCCCCl 34a_100000210776_200009817188 [0,1,0,0,0,0|2,0,1]=4 4431 B13R0.54 OB(O)CCCCCOCCCCCl 7a_100000210776_200009817188 [0,1,0,0,0,0|2,0,1]=4 4432 B13R0.54 OB(O)CCCCCOCCCCF 34a_100011995726_200009817188 [0,1,0,0,0,0|2,0,1]=4 4433 B13R0.54 OB(O)CCCCCOCCCCF 7a_100011995726_200009817188 [0,1,0,0,0,0|2,0,1]=4 4434 B13R0.54 OB(O)CCCCCOCCCCI 34a_200012148704_200009817188 [0,1,0,0,0,0|2,0,1]=4 4435 B13R0.54 OB(O)CCCCCSCCCCF 62a_100000729493_200009817188 [0,1,0,0,0,0|2,0,1]=4 4436 B13R0.54 OB(O)CCCCCSCCCCF 62a_200009817188_100000729493 [0,1,0,0,0,0|2,0,1]=4 4437 B13R0.54 OB(O)CCCCOCCCCCBr 34a_100000746331_200009817182 [0,1,0,0,0,0|2,0,1]=4 4438 B13R0.54 OB(O)CCCCOCCCCCBr 7a_100000746331_200009817182 [0,1,0,0,0,0|2,0,1]=4 4439 B13R0.54 OB(O)CCCCOCCCCCCl 34a_100000746330_200009817182 [0,1,0,0,0,0|2,0,1]=4 4440 B13R0.54 OB(O)CCCCOCCCCCCl 7a_100000746330_200009817182 [0,1,0,0,0,0|2,0,1]=4 4441 B13R0.54 OB(O)CCCCOCCCCCI 34a_200012148887_200009817182 [0,1,0,0,0,0|2,0,1]=4 4442 B13R0.54 OB(O)CCCCOCCCCCI 7a_200012148887_200009817182 [0,1,0,0,0,0|2,0,1]=4 4443 B13R0.54 OB(O)CCCCSCCCCCF 62a_100000729378_200009817182 [0,1,0,0,0,0|2,0,1]=4 4444 B13R0.54 OB(O)CCCCSCCCCCF 62a_200009817182_100000729378 [0,1,0,0,0,0|2,0,1]=4 4445 B13R0.54 OCCCCCNCCCCB(O)O 2230a_100000762737_200009817182 [0,1,0,0,0,0|2,0,1]=4 4446 B13R0.54 OCCCCCNCCCCB(O)O 34a_100000762737_200009817182 [0,1,0,0,0,0|2,0,1]=4 4447 B13R0.54 OCCCCCSCCCCB(O)O 62a_100000746330_200009817182 [0,1,0,0,0,0|2,0,1]=4 4448 B13R0.54 OCCCCCSCCCCB(O)O 62a_200009817182_100000746330 [0,1,0,0,0,0|2,0,1]=4 4449 B13R0.54 OCCCCNCCCCCB(O)O 2230a_100000750430_200009817188 [0,1,0,0,0,0|2,0,1]=4 4450 B13R0.54 OCCCCNCCCCCB(O)O 34a_100000750430_200009817188 [0,1,0,0,0,0|2,0,1]=4 4451 B13R0.54 OCCCCSCCCCCB(O)O 62a_100000210776_200009817188 [0,1,0,0,0,0|2,0,1]=4 4452 B13R0.54 OCCCCSCCCCCB(O)O 62a_200009817188_100000210776 [0,1,0,0,0,0|2,0,1]=4 4453 B13R0.54 OCCCSCCCCCCB(O)O 62a_100009817187_100011215043 [0,1,0,0,0,0|2,0,1]=4 4454 B13R0.54 OCCCSCCCCCCB(O)O 62a_100011215043_100009817187 [0,1,0,0,0,0|2,0,1]=4 4455 B13R0.88 C=C(C)CCOCCCC(C)CCC 34a_100011713154_100000730704 [0,1,0,0,0,0|3,0,0]=4 4456 B13R0.88 C=C(C)CCOCCCC(C)CCC 7a_100011713154_100000730704 [0,1,0,0,0,0|3,0,0]=4 4457 B13R0.88 CC(=O)CCCCOCC(C)CCN 34a_106354213184_100009817362 [0,1,0,0,0,0|3,0,0]=4 4458 B13R0.88 CC(CCBr)OCCCCCC(=O)N 34a_100012276601_100009817443 [0,1,0,0,0,0|3,0,0]=4 4459 B13R0.88 CC(CCO)OCCCCCC(=O)N 34a_100000123541_100009893172 [0,1,0,0,0,0|3,0,0]=4 4460 B13R0.88 CC(CCO)OCCCCCC(=O)N 7a_100000123541_100009893172 [0,1,0,0,0,0|3,0,0]=4 4461 B13R0.88 CC(CCO)OCCCCCC(=O)[O-] 7a_100102619762_100009893172 [0,1,0,0,0,0|2,0,1]=4 4462 B13R0.88 CC(CCO)SCCCCCC(=O)N 62a_100009817443_100009893172 [0,1,0,0,0,0|3,0,0]=4 4463 B13R0.88 CC(CCO)SCCCCCC(=O)N 62a_100009893172_100009817443 [0,1,0,0,0,0|3,0,0]=4 4464 B13R0.88 CCCC(=O)CCCCCCB(O)O 1458a_100000211992_100009817187 [0,1,0,0,0,0|1,0,2]=4 4465 B13R0.88 CCCC(=O)CCCCCNC(=O)C 1458a_100000183861_100000210303 [0,1,0,0,0,0|2,0,1]=4 4466 B13R0.88 CCCC(=O)CCCCCOC(=O)C 1458a_100000211992_100000033007 [0,1,0,0,0,0|2,0,1]=4 4467 B13R0.88 CCCC(=O)CNCCOCC(=O)O 269956a_100000700818_100000747444 [0,1,0,0,0,0|2,0,1]=4 4468 B13R0.88 CCCC(=O)COCCCCC(=O)N 7a_100012022536_100000747444 [0,1,0,0,0,0|2,0,1]=4 4469 B13R0.88 CCCC(=O)CSCCCCC(=O)C 62a_100000735457_100000747444 [0,1,0,0,0,0|2,0,1]=4 4470 B13R0.88 CCCC(=O)CSCCCCC(=O)C 62a_100000747444_100000735457 [0,1,0,0,0,0|2,0,1]=4 4471 B13R0.88 CCCC(C)CCCOCCC(=O)C 7a_100011713154_100000053229 [0,1,0,0,0,0|2,0,0]=3 4472 B13R0.88 CCCC(C)CCCOCCC(=O)N 34a_100011713154_100000731001 [0,1,0,0,0,0|2,0,0]=3 4473 B13R0.88 CCCC(C)CCCOCCC(=O)N 7a_100011713154_100000744528 [0,1,0,0,0,0|2,0,0]=3 4474 B13R0.88 CCCC(C)CCCOCCC(C)O 34a_100011713154_100012276601 [0,1,0,0,0,0|2,0,1]=4 4475 B13R0.88 CCCC(C)CCCOCCC(C)O 7a_100011713154_100012276601 [0,1,0,0,0,0|2,0,1]=4 4476 B13R0.88 CCCC(C)CCCOCOC(=O)C 34a_100011713154_100009813279 [0,1,0,0,0,0|3,0,0]=4 4477 B13R0.88 CCCC(C)CCOCCCC(=O)C 34a_100011217855_100000685027 [0,1,0,0,0,0|2,0,0]=3 4478 B13R0.88 CCCC(C)CCOCCCC(=O)C 7a_100011217855_100011215641 [0,1,0,0,0,0|2,0,0]=3 4479 B13R0.88 CCCC(C)CCOCCCC(=O)N 34a_100011217855_100102525003 [0,1,0,0,0,0|2,0,0]=3 4480 B13R0.88 CCCC(C)CCOCCCC(=O)N 7a_100011217855_100102525003 [0,1,0,0,0,0|2,0,0]=3 4481 B13R0.88 CCCC(C)CCOCCCC(C)O 34a_100011217855_200000718107 [0,1,0,0,0,0|2,0,1]=4 4482 B13R0.88 CCCC(C)CCOCCCC(C)O 7a_100011217855_200000718107 [0,1,0,0,0,0|2,0,1]=4 4483 B13R0.88 CCCC(C)CCOCCNC(=O)C 7a_100011217855_100000189650 [0,1,0,0,0,0|3,0,0]=4 4484 B13R0.88 CCCC(C)CCOCCNC(=O)N 7a_100011217855_200000034859 [0,1,0,0,0,0|3,0,0]=4 4485 B13R0.88 CCCC(C)CCOCCOC(=O)C 34a_100011217855_100009814007 [0,1,0,0,0,0|3,0,0]=4 4486 B13R0.88 CCCC(C)CCOCCOC(=O)C 7a_100011217855_100009814007 [0,1,0,0,0,0|3,0,0]=4 4487 B13R0.88 CCCC(C)CCOCCOC(=O)N 34a_100011217855_200011214921 [0,1,0,0,0,0|3,0,0]=4 4488 B13R0.88 CCCC(C)CCOCCOC(=O)N 7a_100011217855_200011214921 [0,1,0,0,0,0|3,0,0]=4 4489 B13R0.88 CCCC(C)CNCCCCC(=O)N 270004a_100000696515_100000243154 [0,1,0,0,0,0|2,0,0]=3 4490 B13R0.88 CCCC(C)CNCCCCC(=O)N 34a_100000696515_100011216630 [0,1,0,0,0,0|2,0,0]=3 4491 B13R0.88 CCCC(C)CNCCCNC(=O)C 270004a_100000736810_100000243154 [0,1,0,0,0,0|3,0,0]=4 4492 B13R0.88 CCCC(C)CNCCCNC(=O)C 34a_100000736810_100011216630 [0,1,0,0,0,0|3,0,0]=4 4493 B13R0.88 CCCC(C)CNCCOCC(=O)O 269956a_100000700818_100011216630 [0,1,0,0,0,0|2,0,0]=3 4494 B13R0.88 CCCC(C)COCCCCB(O)O 34a_100000688023_200009817182 [0,1,0,0,0,0|2,0,1]=4 4495 B13R0.88 CCCC(C)COCCCCB(O)O 7a_100000688023_200009817182 [0,1,0,0,0,0|2,0,1]=4 4496 B13R0.88 CCCC(C)COCCCCC(=O)C 34a_100000688023_100009817362 [0,1,0,0,0,0|2,0,0]=3 4497 B13R0.88 CCCC(C)COCCCCC(=O)C 7a_100000688023_100000735457 [0,1,0,0,0,0|2,0,0]=3 4498 B13R0.88 CCCC(C)COCCCCC(=O)N 34a_100012022536_100011216630 [0,1,0,0,0,0|2,0,0]=3 4499 B13R0.88 CCCC(C)COCCCCC(=O)N 7a_100012022536_100011216630 [0,1,0,0,0,0|2,0,0]=3 4500 B13R0.88 CCCC(C)COCCCC[N+](=O)[O-] 34a_200015379883_100011216630 [0,1,0,0,0,0|2,0,1]=4 4501 B13R0.88 CCCC(C)COCCCC[N+](=O)[O-] 7a_200015379883_100011216630 [0,1,0,0,0,0|2,0,1]=4 4502 B13R0.88 CCCC(C)COCCCNC(=O)C 34a_100000752032_100011216630 [0,1,0,0,0,0|3,0,0]=4 4503 B13R0.88 CCCC(C)COCCCOC(=O)C 34a_100000688023_100000042594 [0,1,0,0,0,0|3,0,0]=4 4504 B13R0.88 CCCC(C)COCCCOC(=O)C 7a_100000688023_100000042594 [0,1,0,0,0,0|3,0,0]=4 4505 B13R0.88 CCCC(C)COCCCSC(=O)C 34a_100000688023_100000038929 [0,1,0,0,0,0|3,0,0]=4 4506 B13R0.88 CCCC(C)COCCCSC(=O)C 7a_100000688023_100000038929 [0,1,0,0,0,0|3,0,0]=4 4507 B13R0.88 CCCC(C)COCCOCC(=O)N 34a_100000688023_100000076697 [0,1,0,0,0,0|3,0,0]=4 4508 B13R0.88 CCCC(C)COCCOCC(=O)N 7a_100000688023_100000076697 [0,1,0,0,0,0|3,0,0]=4 4509 B13R0.88 CCCC(C)CSCCCCB(O)O 62a_100011216630_200009817182 [0,1,0,0,0,0|2,0,1]=4 4510 B13R0.88 CCCC(C)CSCCCCB(O)O 62a_200009817182_100011216630 [0,1,0,0,0,0|2,0,1]=4 4511 B13R0.88 CCCC(C)CSCCCCC(=O)C 62a_100000735457_100011216630 [0,1,0,0,0,0|2,0,0]=3 4512 B13R0.88 CCCC(C)CSCCCCC(=O)C 62a_100011216630_100000735457 [0,1,0,0,0,0|2,0,0]=3 4513 B13R0.88 CCCC(C)CSCCCOC(=O)C 62a_100000042594_100011216630 [0,1,0,0,0,0|3,0,0]=4 4514 B13R0.88 CCCC(C)CSCCCOC(=O)C 62a_100011216630_100000042594 [0,1,0,0,0,0|3,0,0]=4 4515 B13R0.88 CCCC(C)CSCCCSC(=O)C 62a_100000038929_100011216630 [0,1,0,0,0,0|3,0,0]=4 4516 B13R0.88 CCCC(C)CSCCCSC(=O)C 62a_100011216630_100000038929 [0,1,0,0,0,0|3,0,0]=4 4517 B13R0.88 CCCC(C)CSCCOCC(=O)N 62a_100000076697_100011216630 [0,1,0,0,0,0|3,0,0]=4 4518 B13R0.88 CCCC(C)CSCCOCC(=O)N 62a_100011216630_100000076697 [0,1,0,0,0,0|3,0,0]=4 4519 B13R0.88 CCCC(C)NCCCCCB(O)O 2230a_100000741246_200009817188 [0,1,0,0,0,0|2,0,1]=4 4520 B13R0.88 CCCC(C)NCCCCCC(=O)N 2230a_100000741246_100009817443 [0,1,0,0,0,0|2,0,0]=3 4521 B13R0.88 CCCC(C)NCCCCNC(=O)C 2230a_200011368371_100000766640 [0,1,0,0,0,0|3,0,0]=4 4522 B13R0.88 CCCC(C)NCCCCNC(=O)C 270004a_200011368371_100000211909 [0,1,0,0,0,0|3,0,0]=4 4523 B13R0.88 CCCC(C)NCCCCNC(=O)C 34a_200011368371_100000766640 [0,1,0,0,0,0|3,0,0]=4 4524 B13R0.88 CCCC(C)NCCCCSC(=O)C 2230a_100000741246_200010402107 [0,1,0,0,0,0|3,0,0]=4 4525 B13R0.88 CCCC(C)OCCCCCB(O)O 34a_100000764384_200009817188 [0,1,0,0,0,0|2,0,1]=4 4526 B13R0.88 CCCC(C)OCCCCCB(O)O 7a_100000764384_200009817188 [0,1,0,0,0,0|2,0,1]=4 4527 B13R0.88 CCCC(C)OCCCCCC(=O)N 34a_100000123541_100000766640 [0,1,0,0,0,0|2,0,0]=3 4528 B13R0.88 CCCC(C)OCCCCCC(=O)N 34a_100000764384_100009817443 [0,1,0,0,0,0|2,0,0]=3 4529 B13R0.88 CCCC(C)OCCCCCC(=O)N 7a_100000123541_100000766640 [0,1,0,0,0,0|2,0,0]=3 4530 B13R0.88 CCCC(C)OCCCCCC(=O)N 7a_100000764384_100009817443 [0,1,0,0,0,0|2,0,0]=3 4531 B13R0.88 CCCC(C)OCCCCCC(=O)[O-] 7a_100102619762_100000766640 [0,1,0,0,0,0|1,0,1]=3 4532 B13R0.88 CCCC(C)OCCCCOC(=O)C 34a_100000073216_100000766640 [0,1,0,0,0,0|3,0,0]=4 4533 B13R0.88 CCCC(C)OCCCCOC(=O)C 34a_100000764384_100000033659 [0,1,0,0,0,0|3,0,0]=4 4534 B13R0.88 CCCC(C)OCCCCOC(=O)C 7a_100000073216_100000766640 [0,1,0,0,0,0|3,0,0]=4 4535 B13R0.88 CCCC(C)OCCCCOC(=O)C 7a_100000764384_100000033659 [0,1,0,0,0,0|3,0,0]=4 4536 B13R0.88 CCCC(C)OCCCCSC(=O)C 34a_100000764384_200010402107 [0,1,0,0,0,0|3,0,0]=4 4537 B13R0.88 CCCC(C)OCCCCSC(=O)C 7a_100000764384_200010402107 [0,1,0,0,0,0|3,0,0]=4 4538 B13R0.88 CCCC(C)SCCCCCB(O)O 62a_100000766640_200009817188 [0,1,0,0,0,0|2,0,1]=4 4539 B13R0.88 CCCC(C)SCCCCCB(O)O 62a_200009817188_100000766640 [0,1,0,0,0,0|2,0,1]=4 4540 B13R0.88 CCCC(C)SCCCCCC(=O)N 62a_100000766640_100009817443 [0,1,0,0,0,0|2,0,0]=3 4541 B13R0.88 CCCC(C)SCCCCCC(=O)N 62a_100009817443_100000766640 [0,1,0,0,0,0|2,0,0]=3 4542 B13R0.88 CCCC(C)SCCCCOC(=O)C 62a_100000033659_100000766640 [0,1,0,0,0,0|3,0,0]=4 4543 B13R0.88 CCCC(C)SCCCCOC(=O)C 62a_100000766640_100000033659 [0,1,0,0,0,0|3,0,0]=4 4544 B13R0.88 CCCC(C)SCCCCSC(=O)C 62a_100000766640_200010402107 [0,1,0,0,0,0|3,0,0]=4 4545 B13R0.88 CCCC(C)SCCCCSC(=O)C 62a_200010402107_100000766640 [0,1,0,0,0,0|3,0,0]=4 4546 B13R0.88 CCCN(C)CCCCCCB(O)O 2230a_100000747261_100009817187 [0,1,0,0,0,0|2,0,1]=4 4547 B13R0.88 CCCN(C)CCCCCCB(O)O 269982a_100000747261_100009817187 [0,1,0,0,0,0|2,0,1]=4 4548 B13R0.88 CCCN(C)CCCCCOC(=O)C 2230a_100000747261_100009813381 [0,1,0,0,0,0|3,0,0]=4 4549 B13R0.88 CCCN(C)CCCCCOC(=O)C 269982a_100000747261_100000033007 [0,1,0,0,0,0|3,0,0]=4 4550 B13R0.88 CCC[C@H](N)CCOCCCC(=O)C 34a_100015193777_100000685027 [0,1,0,0,0,0|2,0,0]=3 4551 B13R0.88 CCC[C@H](N)CCOCCCC(=O)N 34a_100015193777_100102525003 [0,1,0,0,0,0|2,0,0]=3 4552 B13R0.88 CCC[C@H](N)CCOCCCC(C)O 34a_100015193777_200000718107 [0,1,0,0,0,0|2,0,1]=4 4553 B13R0.88 CCC[C@H](N)CCOCCOC(=O)C 34a_100015193777_100009814007 [0,1,0,0,0,0|3,0,0]=4 4554 B13R0.88 CCC[C@H](N)CCOCCOC(=O)N 34a_100015193777_200011214921 [0,1,0,0,0,0|3,0,0]=4 4555 B13R0.88 CCC[C@H](N)COCCCCB(O)O 34a_100000732646_200009817182 [0,1,0,0,0,0|2,0,1]=4 4556 B13R0.88 CCC[C@H](N)COCCCCC(=O)C 34a_100000732646_100009817362 [0,1,0,0,0,0|2,0,0]=3 4557 B13R0.88 CCC[C@H](N)COCCCOC(=O)C 34a_100000732646_100000042594 [0,1,0,0,0,0|3,0,0]=4 4558 B13R0.88 CCC[C@H](N)COCCCSC(=O)C 34a_100000732646_100000038929 [0,1,0,0,0,0|3,0,0]=4 4559 B13R0.88 CCC[C@H](N)COCCOCC(=O)N 34a_100000732646_100000076697 [0,1,0,0,0,0|3,0,0]=4 4560 B13R0.88 CCOC(=O)CCCCCCC(=O)C 1458a_100000031895_200000210301 [0,1,0,0,0,0|2,0,1]=4 4561 B13R0.88 CCOC(=O)CCCCCCC(=O)C 1458a_100000070787_100009814379 [0,1,0,0,0,0|2,0,1]=4 4562 B13R0.88 CCOC(=O)CCCCCCC(=O)[13CH3] 1458a_100000031895_200025704644 [0,1,0,0,0,0|2,0,1]=4 4563 B13R0.88 CCOC(=O)CCCCNCC(=O)O 269956a_100016091260_100000750268 [0,1,0,0,0,0|2,0,1]=4 4564 B13R0.88 COCC(C)OCCCCCC(=O)N 34a_100000123541_100000765312 [0,1,0,0,0,0|3,0,0]=4 4565 B13R0.88 COCC(C)OCCCCCC(=O)N 7a_100000123541_100000765312 [0,1,0,0,0,0|3,0,0]=4 4566 B13R0.88 COCC(C)OCCCCCC(=O)[O-] 7a_100102619762_100000765312 [0,1,0,0,0,0|2,0,1]=4 4567 B13R0.88 COCC(C)SCCCCCC(=O)N 62a_100000765312_100009817443 [0,1,0,0,0,0|3,0,0]=4 4568 B13R0.88 COCC(C)SCCCCCC(=O)N 62a_100009817443_100000765312 [0,1,0,0,0,0|3,0,0]=4 4569 B13R0.88 COCC(N)COCCCCC(=O)C 34a_100000724102_100009817362 [0,1,0,0,0,0|3,0,0]=4 4570 B13R0.88 COCC(O)CNCCCCC(=O)C 34a_100000756049_100009817362 [0,1,0,0,0,0|3,0,0]=4 4571 B13R0.88 COCC(O)CNCCCCC(=O)N 34a_100000696515_100011215053 [0,1,0,0,0,0|3,0,0]=4 4572 B13R0.88 COCC(O)CNCCOCC(=O)O 269956a_100000700818_100011215053 [0,1,0,0,0,0|3,0,0]=4 4573 B13R0.88 COCC(O)COCCCCC(=O)N 34a_100012022536_100011215053 [0,1,0,0,0,0|3,0,0]=4 4574 B13R0.88 COCC(O)COCCCCC(=O)N 7a_100012022536_100011215053 [0,1,0,0,0,0|3,0,0]=4 4575 B13R0.88 COCC(O)CSCCCCC(=O)C 62a_100000735457_100011215053 [0,1,0,0,0,0|3,0,0]=4 4576 B13R0.88 COCC(O)CSCCCCC(=O)C 62a_100011215053_100000735457 [0,1,0,0,0,0|3,0,0]=4 4577 B13R0.88 COC[C@@H](C)NCCCCCC(=O)N 2230a_100000764878_100009817443 [0,1,0,0,0,0|3,0,0]=4 4578 B13R0.88 COC[C@@H](C)OCCCCCC(=O)N 34a_100011934205_100009817443 [0,1,0,0,0,0|3,0,0]=4 4579 B13R0.88 C[C@H](CCO)NCCCCCC(=O)N 2230a_100000706166_100009817443 [0,1,0,0,0,0|3,0,0]=4 4580 B13R0.88 C[C@H](CCO)NCCCCCC(=O)N 34a_100000706166_100009817443 [0,1,0,0,0,0|3,0,0]=4 4581 B13R0.119 CC(=O)CCCCOC(C)CCCCl 34a_200000718107_100009817362 [0,1,0,0,0,0|3,0,0]=4 4582 B13R0.119 CC(=O)CCCCOC(C)CCCCl 7a_200000718107_100000735457 [0,1,0,0,0,0|3,0,0]=4 4583 B13R0.119 CC(=O)CCCNC[C@H](C)CCCO 34a_100160569302_100000685027 [0,1,0,0,0,0|3,0,0]=4 4584 B13R0.119 CCCCC(=O)CCCCCB(O)O 1458a_100000210183_200009817188 [0,1,0,0,0,0|1,0,2]=4 4585 B13R0.119 CCCCC(=O)CCCCCC(=O)N 1458a_100000210183_100009817443 [0,1,0,0,0,0|1,0,1]=3 4586 B13R0.119 CCCCC(=O)CCCCC[N+](=O)[O-] 1458a_100000043470_100000210211 [0,1,0,0,0,0|1,0,2]=4 4587 B13R0.119 CCCCC(=O)CCCCOC(=O)C 1458a_100000210183_100000033659 [0,1,0,0,0,0|2,0,1]=4 4588 B13R0.119 CCCCC(=O)CCCCSC(=O)C 1458a_100000210183_200010402107 [0,1,0,0,0,0|2,0,1]=4 4589 B13R0.119 CCCCC(=O)NCCCCC(=O)N 11a_100000696515_100000210183 [0,1,0,0,0,0|2,0,1]=4 4590 B13R0.119 CCCCC(=O)NCCCCC(=O)N 1626a_100000696515_100000210183 [0,1,0,0,0,0|2,0,1]=4 4591 B13R0.119 CCCCC(=O)NCCCCC(=O)N 240690a_100000696515_100000210183 [0,1,0,0,0,0|2,0,1]=4 4592 B13R0.119 CCCCC(=O)NCCCCC(=O)N 527a_100000696515_100000210183 [0,1,0,0,0,0|2,0,1]=4 4593 B13R0.119 CCCCC(C)COCCCC(=O)C 34a_100011995851_100000685027 [0,1,0,0,0,0|2,0,0]=3 4594 B13R0.119 CCCCC(C)COCCCC(=O)C 7a_100011995851_100011215641 [0,1,0,0,0,0|2,0,0]=3 4595 B13R0.119 CCCCC(C)COCCCC(=O)N 34a_100011995851_100102525003 [0,1,0,0,0,0|2,0,0]=3 4596 B13R0.119 CCCCC(C)COCCCC(=O)N 7a_100011995851_100102525003 [0,1,0,0,0,0|2,0,0]=3 4597 B13R0.119 CCCCC(C)COCCCC(C)O 34a_100011995851_200000718107 [0,1,0,0,0,0|2,0,1]=4 4598 B13R0.119 CCCCC(C)COCCCC(C)O 7a_100011995851_200000718107 [0,1,0,0,0,0|2,0,1]=4 4599 B13R0.119 CCCCC(C)COCCNC(=O)C 7a_100011995851_100000189650 [0,1,0,0,0,0|3,0,0]=4 4600 B13R0.119 CCCCC(C)COCCNC(=O)N 7a_100011995851_200000034859 [0,1,0,0,0,0|3,0,0]=4 4601 B13R0.119 CCCCC(C)COCCOC(=O)C 34a_100011995851_100009814007 [0,1,0,0,0,0|3,0,0]=4 4602 B13R0.119 CCCCC(C)COCCOC(=O)C 7a_100011995851_100009814007 [0,1,0,0,0,0|3,0,0]=4 4603 B13R0.119 CCCCC(C)COCCOC(=O)N 34a_100011995851_200011214921 [0,1,0,0,0,0|3,0,0]=4 4604 B13R0.119 CCCCC(C)COCCOC(=O)N 7a_100011995851_200011214921 [0,1,0,0,0,0|3,0,0]=4 4605 B13R0.119 CCCCC(C)NCCCCB(O)O 2230a_100000126638_200009817182 [0,1,0,0,0,0|2,0,1]=4 4606 B13R0.119 CCCCC(C)NCCCCC(=O)N 270004a_100000696515_100000210087 [0,1,0,0,0,0|2,0,0]=3 4607 B13R0.119 CCCCC(C)NCCCCC(=O)N 34a_100000696515_200011215066 [0,1,0,0,0,0|2,0,0]=3 4608 B13R0.119 CCCCC(C)NCCCNC(=O)C 270004a_100000736810_100000210087 [0,1,0,0,0,0|3,0,0]=4 4609 B13R0.119 CCCCC(C)NCCCNC(=O)C 34a_100000736810_200011215066 [0,1,0,0,0,0|3,0,0]=4 4610 B13R0.119 CCCCC(C)NCCCSC(=O)C 2230a_100000126638_100000038929 [0,1,0,0,0,0|3,0,0]=4 4611 B13R0.119 CCCCC(C)NCCOCC(=O)N 2230a_100000126638_100000076697 [0,1,0,0,0,0|3,0,0]=4 4612 B13R0.119 CCCCC(C)NCCOCC(=O)O 269956a_100000700818_200011215066 [0,1,0,0,0,0|2,0,0]=3 4613 B13R0.119 CCCCC(C)OCCCCB(O)O 34a_100000687866_200009817182 [0,1,0,0,0,0|2,0,1]=4 4614 B13R0.119 CCCCC(C)OCCCCB(O)O 7a_100000687866_200009817182 [0,1,0,0,0,0|2,0,1]=4 4615 B13R0.119 CCCCC(C)OCCCCC(=O)C 34a_100000687866_100009817362 [0,1,0,0,0,0|2,0,0]=3 4616 B13R0.119 CCCCC(C)OCCCCC(=O)C 7a_100000687866_100000735457 [0,1,0,0,0,0|2,0,0]=3 4617 B13R0.119 CCCCC(C)OCCCCC(=O)N 34a_100012022536_200011215066 [0,1,0,0,0,0|2,0,0]=3 4618 B13R0.119 CCCCC(C)OCCCCC(=O)N 7a_100012022536_200011215066 [0,1,0,0,0,0|2,0,0]=3 4619 B13R0.119 CCCCC(C)OCCCC[N+](=O)[O-] 34a_200015379883_200011215066 [0,1,0,0,0,0|2,0,1]=4 4620 B13R0.119 CCCCC(C)OCCCC[N+](=O)[O-] 7a_200015379883_200011215066 [0,1,0,0,0,0|2,0,1]=4 4621 B13R0.119 CCCCC(C)OCCCNC(=O)C 34a_100000752032_200011215066 [0,1,0,0,0,0|3,0,0]=4 4622 B13R0.119 CCCCC(C)OCCCOC(=O)C 34a_100000687866_100000042594 [0,1,0,0,0,0|3,0,0]=4 4623 B13R0.119 CCCCC(C)OCCCOC(=O)C 7a_100000687866_100000042594 [0,1,0,0,0,0|3,0,0]=4 4624 B13R0.119 CCCCC(C)OCCCSC(=O)C 34a_100000687866_100000038929 [0,1,0,0,0,0|3,0,0]=4 4625 B13R0.119 CCCCC(C)OCCCSC(=O)C 7a_100000687866_100000038929 [0,1,0,0,0,0|3,0,0]=4 4626 B13R0.119 CCCCC(C)OCCOCC(=O)N 34a_100000687866_100000076697 [0,1,0,0,0,0|3,0,0]=4 4627 B13R0.119 CCCCC(C)OCCOCC(=O)N 7a_100000687866_100000076697 [0,1,0,0,0,0|3,0,0]=4 4628 B13R0.119 CCCCC(C)SCCCCB(O)O 62a_200009817182_200011215066 [0,1,0,0,0,0|2,0,1]=4 4629 B13R0.119 CCCCC(C)SCCCCB(O)O 62a_200011215066_200009817182 [0,1,0,0,0,0|2,0,1]=4 4630 B13R0.119 CCCCC(C)SCCCCC(=O)C 62a_100000735457_200011215066 [0,1,0,0,0,0|2,0,0]=3 4631 B13R0.119 CCCCC(C)SCCCCC(=O)C 62a_200011215066_100000735457 [0,1,0,0,0,0|2,0,0]=3 4632 B13R0.119 CCCCC(C)SCCCOC(=O)C 62a_100000042594_200011215066 [0,1,0,0,0,0|3,0,0]=4 4633 B13R0.119 CCCCC(C)SCCCOC(=O)C 62a_200011215066_100000042594 [0,1,0,0,0,0|3,0,0]=4 4634 B13R0.119 CCCCC(C)SCCCSC(=O)C 62a_100000038929_200011215066 [0,1,0,0,0,0|3,0,0]=4 4635 B13R0.119 CCCCC(C)SCCCSC(=O)C 62a_200011215066_100000038929 [0,1,0,0,0,0|3,0,0]=4 4636 B13R0.119 CCCCC(C)SCCOCC(=O)N 62a_100000076697_200011215066 [0,1,0,0,0,0|3,0,0]=4 4637 B13R0.119 CCCCC(C)SCCOCC(=O)N 62a_200011215066_100000076697 [0,1,0,0,0,0|3,0,0]=4 4638 B13R0.119 CCCCN(C)CCCCCB(O)O 2230a_100000207549_200009817188 [0,1,0,0,0,0|2,0,1]=4 4639 B13R0.119 CCCCN(C)CCCCCB(O)O 269982a_100000207549_200009817188 [0,1,0,0,0,0|2,0,1]=4 4640 B13R0.119 CCCCN(C)CCCCCC(=O)N 2230a_100000207549_100009817443 [0,1,0,0,0,0|2,0,0]=3 4641 B13R0.119 CCCCN(C)CCCCCC(=O)N 269982a_100000207549_100009817443 [0,1,0,0,0,0|2,0,0]=3 4642 B13R0.119 CCCCN(C)CCCCOC(=O)C 269982a_100000207549_100000033659 [0,1,0,0,0,0|3,0,0]=4 4643 B13R0.119 CCCCN(C)CCCCSC(=O)C 2230a_100000207549_200010402107 [0,1,0,0,0,0|3,0,0]=4 4644 B13R0.119 CCCCN(C)CCCCSC(=O)C 269982a_100000207549_200010402107 [0,1,0,0,0,0|3,0,0]=4 4645 B13R0.119 CCCC[C@H](N)COCCCC(=O)C 34a_100011934283_100000685027 [0,1,0,0,0,0|2,0,0]=3 4646 B13R0.119 CCCC[C@H](N)COCCCC(=O)N 34a_100011934283_100102525003 [0,1,0,0,0,0|2,0,0]=3 4647 B13R0.119 CCCC[C@H](N)COCCCC(C)O 34a_100011934283_200000718107 [0,1,0,0,0,0|2,0,1]=4 4648 B13R0.119 CCCC[C@H](N)COCCOC(=O)C 34a_100011934283_100009814007 [0,1,0,0,0,0|3,0,0]=4 4649 B13R0.119 CCCC[C@H](N)COCCOC(=O)N 34a_100011934283_200011214921 [0,1,0,0,0,0|3,0,0]=4 4650 B13R0.119 CCCNC(=O)CCCNCC(=O)O 269956a_100016091260_100011194427 [0,1,0,0,0,0|2,0,1]=4 4651 B13R0.119 CCCOC(C)CNCCCC(=O)C 34a_100015185124_100000685027 [0,1,0,0,0,0|3,0,0]=4 4652 B13R0.119 CCCOC(C)CNCCCC(=O)N 34a_100015185124_100102525003 [0,1,0,0,0,0|3,0,0]=4 4653 B13R0.119 CCOCC(=O)CCCCCC(=O)N 1458a_100000211967_100009817443 [0,1,0,0,0,0|2,0,1]=4 4654 B13R0.119 CCOCC(C)OCCCCC(=O)C 34a_100000718985_100009817362 [0,1,0,0,0,0|3,0,0]=4 4655 B13R0.119 CCOCC(C)OCCCCC(=O)C 7a_100000718985_100000735457 [0,1,0,0,0,0|3,0,0]=4 4656 B13R0.119 CCOCC(O)CNCCCC(=O)C 34a_102515437182_100000685027 [0,1,0,0,0,0|3,0,0]=4 4657 B13R0.119 CCOCC(O)CNCCCC(=O)N 34a_102515437182_100102525003 [0,1,0,0,0,0|3,0,0]=4 4658 B13R0.119 CCSCC(=O)CCCCCC(=O)N 1458a_100000230394_100009817443 [0,1,0,0,0,0|2,0,1]=4 4659 B13R0.119 CCSCC(C)NCCCCC(=O)N 270004a_100000696515_200011216171 [0,1,0,0,0,0|3,0,0]=4 4660 B13R0.119 CN(CCCO)CCCCCC(=O)N 2230a_100000213112_100009817443 [0,1,0,0,0,0|3,0,0]=4 4661 B13R0.119 CN(CCCO)CCCCCC(=O)N 269982a_100000213112_100009817443 [0,1,0,0,0,0|3,0,0]=4 4662 B13R0.119 COCCC(=O)CCCCCC(=O)N 1458a_100000749529_100009817443 [0,1,0,0,0,0|2,0,1]=4 4663 B13R0.119 COCCC(C)NCCCCC(=O)N 270004a_100000696515_100000742357 [0,1,0,0,0,0|3,0,0]=4 4664 B13R0.119 COCCN(C)CCCCCC(=O)N 2230a_100000743101_100009817443 [0,1,0,0,0,0|3,0,0]=4 4665 B13R0.119 COCCN(C)CCCCCC(=O)N 269982a_100000743101_100009817443 [0,1,0,0,0,0|3,0,0]=4 4666 B13R0.119 CSCCC(=O)CCCCCC(=O)N 1458a_100000174002_100009817443 [0,1,0,0,0,0|2,0,1]=4 4667 B13R0.119 CSCCC(C)NCCCCC(=O)N 270004a_100000696515_100011217047 [0,1,0,0,0,0|3,0,0]=4 4668 B13R0.119 CSCCN(C)CCCCCC(=O)N 2230a_100000686725_100009817443 [0,1,0,0,0,0|3,0,0]=4 4669 B13R0.119 CSCCN(C)CCCCCC(=O)N 269982a_100000686725_100009817443 [0,1,0,0,0,0|3,0,0]=4 4670 B13R0.119 CSCC[C@H](N)COCCCC(=O)C 34a_100011827619_100000685027 [0,1,0,0,0,0|3,0,0]=4 4671 B13R0.119 CSCC[C@H](N)COCCCC(=O)N 34a_100011827619_100102525003 [0,1,0,0,0,0|3,0,0]=4 4672 B13R0.119 C[C@H](CCCO)CNCCCC(=O)N 34a_100160569302_100102525003 [0,1,0,0,0,0|3,0,0]=4 4673 B13R0.147 C#CC(=O)CCCCCCC#CCC 1458a_100000211873_200000036426 [0,1,0,0,0,0|1,0,2]=4 4674 B13R0.147 C#CC(=O)CCCCCCCCC=C 1458a_100000211873_100011933949 [0,1,0,0,0,0|1,0,2]=4 4675 B13R0.147 C#CC(=O)CCCCCCCCCC 1458a_100000211873_100000210319 [0,1,0,0,0,0|1,0,0]=2 4676 B13R0.147 C#CC(=O)CCCCCCCCCO 1458a_100000211873_100009813782 [0,1,0,0,0,0|2,0,0]=3 4677 B13R0.147 C#CC(O)CCCCCNCCCC 2230a_100000102301_200010408556 [0,1,0,0,0,0|2,0,1]=4 4678 B13R0.147 C#CC(O)CCCCCNCCCC 7a_106832991798_200010408556 [0,1,0,0,0,0|2,0,1]=4 4679 B13R0.147 C#CC(O)CCCCCOCCCC 34a_100000210227_200010408556 [0,1,0,0,0,0|2,0,1]=4 4680 B13R0.147 C#CC(O)CCCCCOCCCC 7a_100000210227_200010408556 [0,1,0,0,0,0|2,0,1]=4 4681 B13R0.147 C#CC(O)CCCCCSCCCC 62a_100000210211_200010408556 [0,1,0,0,0,0|2,0,1]=4 4682 B13R0.147 C#CC(O)CCCCCSCCCC 62a_200010408556_100000210210 [0,1,0,0,0,0|2,0,1]=4 4683 B13R0.147 C#CCCCCCCCCC(=O)CC 1458a_100000029693_100000210202 [0,1,0,0,0,0|1,0,2]=4 4684 B13R0.147 C#CCCCCCCCCC(=O)CF 1458a_100000029693_100015361967 [0,1,0,0,0,0|1,0,2]=4 4685 B13R0.147 C#CCCCCCCCCC(=O)NC 11a_106832991635_100000029693 [0,1,0,0,0,0|1,0,2]=4 4686 B13R0.147 C#CCCCCCCCCC(=O)NC 1626a_100102657272_100000029693 [0,1,0,0,0,0|1,0,2]=4 4687 B13R0.147 C#CCCCCCCCCC(=O)NC 240690a_100102657272_100000029693 [0,1,0,0,0,0|1,0,2]=4 4688 B13R0.147 C#CCCCCCCCCC(=O)NC 527a_100102657272_100000029693 [0,1,0,0,0,0|1,0,2]=4 4689 B13R0.147 C#CCCCCCCOCC(=O)OC 34a_100011217361_100000747449 [0,1,0,0,0,0|1,0,2]=4 4690 B13R0.147 C#CCCCCCCOCC(=O)OC 7a_100011217361_100000747449 [0,1,0,0,0,0|1,0,2]=4 4691 B13R0.147 C#CCCCCCCSCC(=O)OC 62a_100000747449_100012276617 [0,1,0,0,0,0|1,0,2]=4 4692 B13R0.147 C#CCCCCCCSCC(=O)OC 62a_100012276617_100000747449 [0,1,0,0,0,0|1,0,2]=4 4693 B13R0.147 C#CCCCCCOCCC(=O)OC 34a_100000766912_100000742370 [0,1,0,0,0,0|1,0,2]=4 4694 B13R0.147 C#CCCCCCOCCC(=O)OC 7a_100000766912_100000204255 [0,1,0,0,0,0|1,0,2]=4 4695 B13R0.147 C#CCCCCCSCCC(=O)OC 62a_100000204255_100012094781 [0,1,0,0,0,0|1,0,2]=4 4696 B13R0.147 C#CCCCCCSCCC(=O)OC 62a_100012094781_100000204255 [0,1,0,0,0,0|1,0,2]=4 4697 B13R0.147 C#CCCCCNCCCC(=O)OC 2230a_100000706060_100011218270 [0,1,0,0,0,0|1,0,2]=4 4698 B13R0.147 C#CCCCCNCCCC(=O)OC 34a_100000706060_100000742333 [0,1,0,0,0,0|1,0,2]=4 4699 B13R0.147 C#CCCCCOCCCC(=O)OC 34a_100000766709_100000742333 [0,1,0,0,0,0|1,0,2]=4 4700 B13R0.147 C#CCCCCOCCCC(=O)OC 7a_100000766709_100011218270 [0,1,0,0,0,0|1,0,2]=4 4701 B13R0.147 C#CCCCCSCCCC(=O)OC 62a_100010269958_100011218270 [0,1,0,0,0,0|1,0,2]=4 4702 B13R0.147 C#CCCCCSCCCC(=O)OC 62a_100011218270_100010269958 [0,1,0,0,0,0|1,0,2]=4 4703 B13R0.147 C#CCCCNCCCCC(=O)OC 34a_100000718082_100000204269 [0,1,0,0,0,0|1,0,2]=4 4704 B13R0.147 C#CCCCOCCCCC(=O)OC 34a_100000059025_100000695029 [0,1,0,0,0,0|1,0,2]=4 4705 B13R0.147 C#CCCCOCCCCC(=O)OC 34a_100000215630_100000204269 [0,1,0,0,0,0|1,0,2]=4 4706 B13R0.147 C#CCCCOCCCCC(=O)OC 7a_100000059025_100011215417 [0,1,0,0,0,0|1,0,2]=4 4707 B13R0.147 C#CCCCOCCCCC(=O)OC 7a_100000215630_100000204269 [0,1,0,0,0,0|1,0,2]=4 4708 B13R0.147 C#CCCCSCCCCC(=O)OC 62a_100000204269_100011215417 [0,1,0,0,0,0|1,0,2]=4 4709 B13R0.147 C#CCCCSCCCCC(=O)OC 62a_100011215417_100000204269 [0,1,0,0,0,0|1,0,2]=4 4710 B13R0.147 C#CCCNCCCCCC(=O)OC 34a_100000755551_100009816466 [0,1,0,0,0,0|1,0,2]=4 4711 B13R0.147 C#CCCOCCCCCC(=O)OC 34a_100000074720_100000688953 [0,1,0,0,0,0|1,0,2]=4 4712 B13R0.147 C#CCCOCCCCCC(=O)OC 34a_100011215631_100009816466 [0,1,0,0,0,0|1,0,2]=4 4713 B13R0.147 C#CCCOCCCCCC(=O)OC 7a_100000074720_100000688953 [0,1,0,0,0,0|1,0,2]=4 4714 B13R0.147 C#CCCSCCCCCC(=O)OC 62a_100000688953_100009816466 [0,1,0,0,0,0|1,0,2]=4 4715 B13R0.147 C#CCCSCCCCCC(=O)OC 62a_100009816466_100000688953 [0,1,0,0,0,0|1,0,2]=4 4716 B13R0.147 C#CCNCCCCCCC(=O)OC 34a_100000212058_100009815986 [0,1,0,0,0,0|1,0,2]=4 4717 B13R0.147 C#CCOCCCCCCC(=O)OC 34a_100000210247_100009815986 [0,1,0,0,0,0|1,0,2]=4 4718 B13R0.147 C#CCOCCCCCCC(=O)OC 34a_100009863599_100000184674 [0,1,0,0,0,0|1,0,2]=4 4719 B13R0.147 C#CCOCCCCCCC(=O)OC 7a_100009863599_100000038162 [0,1,0,0,0,0|1,0,2]=4 4720 B13R0.147 C#CCSCCCCCCC(=O)OC 62a_100000038162_100009815986 [0,1,0,0,0,0|1,0,2]=4 4721 B13R0.147 C/C=C/CCOCCCCC(=O)OC 34a_100016278192_100000204269 [0,1,0,0,0,0|1,0,2]=4 4722 B13R0.147 C/C=C/COCCCCCC(=O)OC 34a_100000074720_100102629194 [0,1,0,0,0,0|1,0,2]=4 4723 B13R0.147 C/C=C/COCCCCCC(=O)OC 34a_100016270725_100009816466 [0,1,0,0,0,0|1,0,2]=4 4724 B13R0.147 C/C=C/COCCCCCC(=O)OC 7a_100000074720_100102629194 [0,1,0,0,0,0|1,0,2]=4 4725 B13R0.147 C/C=C/CSCCCCCC(=O)OC 62a_100009816466_100102629194 [0,1,0,0,0,0|1,0,2]=4 4726 B13R0.147 C/C=C/CSCCCCCC(=O)OC 62a_100102629194_100009816466 [0,1,0,0,0,0|1,0,2]=4 4727 B13R0.147 C=C(C#N)CNCCCCCCCC 2230a_100000229939_100000694840 [0,1,0,0,0,0|3,0,0]=4 4728 B13R0.147 C=C(C#N)CNCCCCCCCC 34a_100000229939_100000694840 [0,1,0,0,0,0|3,0,0]=4 4729 B13R0.147 C=C(C#N)COCCCCCCCC 34a_100000210232_100000694840 [0,1,0,0,0,0|3,0,0]=4 4730 B13R0.147 C=C(C#N)CSCCCCCCCC 62a_100000210759_100000694840 [0,1,0,0,0,0|3,0,0]=4 4731 B13R0.147 C=CC(=O)CCCCCCC#CCC 1458a_100000185746_200000036426 [0,1,0,0,0,0|1,0,2]=4 4732 B13R0.147 C=CC(=O)CCCCCCCCCC 1458a_100000185746_100000210319 [0,1,0,0,0,0|1,0,0]=2 4733 B13R0.147 C=CC(=O)CCCCCCCCCO 1458a_100000185746_100009813782 [0,1,0,0,0,0|2,0,0]=3 4734 B13R0.147 C=CC(=O)NCCCCCCCCC 1626a_100000212291_100000185746 [0,1,0,0,0,0|2,0,0]=3 4735 B13R0.147 C=CC(=O)NCCCCCCCCC 240690a_100000212291_200121576911 [0,1,0,0,0,0|2,0,0]=3 4736 B13R0.147 C=CC(=O)NCCCCCCCCO 240690a_102515433106_200121576911 [0,1,0,0,0,0|3,0,0]=4 4737 B13R0.147 C=CC(=O)NCCCCOCCCC 34a_100014118770_100000210210 [0,1,0,0,0,0|3,0,0]=4 4738 B13R0.147 C=CC(=O)NCCNCCCCCC 2230a_114873766552_100000210314 [0,1,0,0,0,0|3,0,0]=4 4739 B13R0.147 C=CC(=O)NCCOCCCCCC 34a_100011304386_100000210314 [0,1,0,0,0,0|3,0,0]=4 4740 B13R0.147 C=CC(=O)OCCCCCCNCC 2230a_100015525214_100009894100 [0,1,0,0,0,0|3,0,0]=4 4741 B13R0.147 C=CC(=O)OCCCCCCOCC 34a_100121572206_100009894100 [0,1,0,0,0,0|3,0,0]=4 4742 B13R0.147 C=CC(=O)OCCCCCCSCC 62a_100000210202_100009894100 [0,1,0,0,0,0|3,0,0]=4 4743 B13R0.147 C=CC(=O)OCCCCCCSCC 62a_100009894100_100000210202 [0,1,0,0,0,0|3,0,0]=4 4744 B13R0.147 C=CC(=O)OCCCCCOCCC 7a_200011023508_100000210303 [0,1,0,0,0,0|3,0,0]=4 4745 B13R0.147 C=CC(=O)OCCNCCCCCC 2230a_100000210581_100009813456 [0,1,0,0,0,0|3,0,0]=4 4746 B13R0.147 C=CC(=O)OCCOCCCCCC 34a_100000210259_100009813456 [0,1,0,0,0,0|3,0,0]=4 4747 B13R0.147 C=CC(=O)OCCOCCCCCC 7a_100000210259_100009813456 [0,1,0,0,0,0|3,0,0]=4 4748 B13R0.147 C=CC(=O)OCCSCCCCCC 62a_100000210314_100009813456 [0,1,0,0,0,0|3,0,0]=4 4749 B13R0.147 C=CC(=O)OCCSCCCCCC 62a_100009813456_100000210757 [0,1,0,0,0,0|3,0,0]=4 4750 B13R0.147 C=CC(O)CNCCCCCCCC 2230a_100000229939_100000730141 [0,1,0,0,0,0|2,0,1]=4 4751 B13R0.147 C=CC(O)CNCCCCCCCC 34a_100000229939_100000730141 [0,1,0,0,0,0|2,0,1]=4 4752 B13R0.147 C=CC(O)COCCCCCCCC 34a_100000210232_100000730141 [0,1,0,0,0,0|2,0,1]=4 4753 B13R0.147 C=CC(O)COCCCCCCCC 7a_100000210232_100000730141 [0,1,0,0,0,0|2,0,1]=4 4754 B13R0.147 C=CC(O)CSCCCCCCCC 62a_100000210759_100000730141 [0,1,0,0,0,0|2,0,1]=4 4755 B13R0.147 C=CC(O)CSCCCCCCCC 62a_100000730141_100000210317 [0,1,0,0,0,0|2,0,1]=4 4756 B13R0.147 C=CCCCCCCCCC(=O)C=C 1458a_100000185746_100011933949 [0,1,0,0,0,0|1,0,2]=4 4757 B13R0.147 C=CCCCCCCCCC(=O)CC 1458a_100000210414_100011933949 [0,1,0,0,0,0|1,0,2]=4 4758 B13R0.147 C=CCCCCCCCCC(=O)CC 1458a_100000211349_100000210202 [0,1,0,0,0,0|1,0,2]=4 4759 B13R0.147 C=CCCCCCCCCC(=O)CF 1458a_100000211349_100015361967 [0,1,0,0,0,0|1,0,2]=4 4760 B13R0.147 C=CCCCCCCCCC(=O)CO 1458a_100000210174_100011933949 [0,1,0,0,0,0|0,0,2]=3 4761 B13R0.147 C=CCCCCCCCCC(=O)NC 11a_106832991635_100000211349 [0,1,0,0,0,0|1,0,2]=4 4762 B13R0.147 C=CCCCCCCCCC(=O)NC 1626a_100102657272_100000211349 [0,1,0,0,0,0|1,0,2]=4 4763 B13R0.147 C=CCCCCCCCCC(=O)NC 240690a_100102657272_100000211349 [0,1,0,0,0,0|1,0,2]=4 4764 B13R0.147 C=CCCCCCCCCC(=O)NC 527a_100102657272_100000211349 [0,1,0,0,0,0|1,0,2]=4 4765 B13R0.147 C=CCCCCCCOCC(=O)OC 34a_200011216477_100000747449 [0,1,0,0,0,0|1,0,2]=4 4766 B13R0.147 C=CCCCCCCOCC(=O)OC 7a_200011216477_100000747449 [0,1,0,0,0,0|1,0,2]=4 4767 B13R0.147 C=CCCCCCCSCC(=O)OC 62a_100000747449_100011215473 [0,1,0,0,0,0|1,0,2]=4 4768 B13R0.147 C=CCCCCCCSCC(=O)OC 62a_100011215473_100000747449 [0,1,0,0,0,0|1,0,2]=4 4769 B13R0.147 C=CCCCCCOCCC(=O)OC 34a_100011216702_100000742370 [0,1,0,0,0,0|1,0,2]=4 4770 B13R0.147 C=CCCCCCOCCC(=O)OC 7a_100011216702_100000204255 [0,1,0,0,0,0|1,0,2]=4 4771 B13R0.147 C=CCCCCCSCCC(=O)OC 62a_100000204255_100000700193 [0,1,0,0,0,0|1,0,2]=4 4772 B13R0.147 C=CCCCCCSCCC(=O)OC 62a_100000700193_100000204255 [0,1,0,0,0,0|1,0,2]=4 4773 B13R0.147 C=CCCCCNCCCC(=O)OC 2230a_100000703577_100011218270 [0,1,0,0,0,0|1,0,2]=4 4774 B13R0.147 C=CCCCCNCCCC(=O)OC 34a_100000703577_100000742333 [0,1,0,0,0,0|1,0,2]=4 4775 B13R0.147 C=CCCCCOCCCC(=O)OC 34a_100000766645_100000742333 [0,1,0,0,0,0|1,0,2]=4 4776 B13R0.147 C=CCCCCOCCCC(=O)OC 7a_100000766645_100011218270 [0,1,0,0,0,0|1,0,2]=4 4777 B13R0.147 C=CCCCCSCCCC(=O)OC 62a_100011215482_100011218270 [0,1,0,0,0,0|1,0,2]=4 4778 B13R0.147 C=CCCCCSCCCC(=O)OC 62a_100011218270_100011215482 [0,1,0,0,0,0|1,0,2]=4 4779 B13R0.147 C=CCCCNCCCCC(=O)OC 2230a_100000700776_100000204269 [0,1,0,0,0,0|1,0,2]=4 4780 B13R0.147 C=CCCCNCCCCC(=O)OC 34a_100000700776_100000204269 [0,1,0,0,0,0|1,0,2]=4 4781 B13R0.147 C=CCCCOCCCCC(=O)OC 34a_100000059025_100000757094 [0,1,0,0,0,0|1,0,2]=4 4782 B13R0.147 C=CCCCOCCCCC(=O)OC 34a_100000758997_100000204269 [0,1,0,0,0,0|1,0,2]=4 4783 B13R0.147 C=CCCCOCCCCC(=O)OC 7a_100000059025_100000757094 [0,1,0,0,0,0|1,0,2]=4 4784 B13R0.147 C=CCCCOCCCCC(=O)OC 7a_100000758997_100000204269 [0,1,0,0,0,0|1,0,2]=4 4785 B13R0.147 C=CCCCSCCCCC(=O)OC 62a_100000204269_100000757094 [0,1,0,0,0,0|1,0,2]=4 4786 B13R0.147 C=CCCCSCCCCC(=O)OC 62a_100011713584_100000204269 [0,1,0,0,0,0|1,0,2]=4 4787 B13R0.147 C=CCCNCCCCCC(=O)OC 2230a_100015191253_100009816466 [0,1,0,0,0,0|1,0,2]=4 4788 B13R0.147 C=CCCOCCCCCC(=O)OC 34a_100000074720_100000754431 [0,1,0,0,0,0|1,0,2]=4 4789 B13R0.147 C=CCCOCCCCCC(=O)OC 34a_100011205117_100009816466 [0,1,0,0,0,0|1,0,2]=4 4790 B13R0.147 C=CCCOCCCCCC(=O)OC 7a_100000074720_100000754431 [0,1,0,0,0,0|1,0,2]=4 4791 B13R0.147 C=CCCSCCCCCC(=O)OC 62a_100000754431_100009816466 [0,1,0,0,0,0|1,0,2]=4 4792 B13R0.147 C=CCCSCCCCCC(=O)OC 62a_100009816466_100000754431 [0,1,0,0,0,0|1,0,2]=4 4793 B13R0.147 C=CCNCCCCCCC(=O)OC 2230a_100020586998_100009815986 [0,1,0,0,0,0|1,0,2]=4 4794 B13R0.147 C=CCOCCCCCCC(=O)OC 34a_100009863599_100015514636 [0,1,0,0,0,0|1,0,2]=4 4795 B13R0.147 C=CCOCCCCCCC(=O)OC 34a_200000210373_100009815986 [0,1,0,0,0,0|1,0,2]=4 4796 B13R0.147 C=CCOCCCCCCC(=O)OC 7a_100009863599_100015514636 [0,1,0,0,0,0|1,0,2]=4 4797 B13R0.147 C=CCSCCCCCCC(=O)OC 62a_100000210623_100009815986 [0,1,0,0,0,0|1,0,2]=4 4798 B13R0.147 C=CCSCCCCCCC(=O)OC 62a_100009815986_100000210623 [0,1,0,0,0,0|1,0,2]=4 4799 B13R0.147 CC#CCCCCCCCC(=O)CC 1458a_100000066323_100000210202 [0,1,0,0,0,0|1,0,2]=4 4800 B13R0.147 CC#CCCCCCCCC(=O)CF 1458a_100000066323_100015361967 [0,1,0,0,0,0|1,0,2]=4 4801 B13R0.147 CC#CCCCCCCCC(=O)NC 11a_106832991635_100000066323 [0,1,0,0,0,0|1,0,2]=4 4802 B13R0.147 CC#CCCCCCCCC(=O)NC 1626a_100102657272_100000066323 [0,1,0,0,0,0|1,0,2]=4 4803 B13R0.147 CC#CCCCCCCCC(=O)NC 240690a_100102657272_100000066323 [0,1,0,0,0,0|1,0,2]=4 4804 B13R0.147 CC#CCCCCCCCC(=O)NC 527a_100102657272_100000066323 [0,1,0,0,0,0|1,0,2]=4 4805 B13R0.147 CC#CCCOCCCCC(=O)OC 34a_100000750427_100000204269 [0,1,0,0,0,0|1,0,2]=4 4806 B13R0.147 CC#CCNCCCCCC(=O)OC 2230a_100000685387_100009816466 [0,1,0,0,0,0|1,0,2]=4 4807 B13R0.147 CC#CCNCCCCCC(=O)OC 34a_100000685387_100009816466 [0,1,0,0,0,0|1,0,2]=4 4808 B13R0.147 CC#CCOCCCCCC(=O)OC 34a_100000074720_100000748600 [0,1,0,0,0,0|1,0,2]=4 4809 B13R0.147 CC#CCOCCCCCC(=O)OC 34a_100000761923_100009816466 [0,1,0,0,0,0|1,0,2]=4 4810 B13R0.147 CC#CCOCCCCCC(=O)OC 7a_100000074720_100000748600 [0,1,0,0,0,0|1,0,2]=4 4811 B13R0.147 CC#CCSCCCCCC(=O)OC 62a_100000748600_100009816466 [0,1,0,0,0,0|1,0,2]=4 4812 B13R0.147 CC#CCSCCCCCC(=O)OC 62a_100009816466_100000748600 [0,1,0,0,0,0|1,0,2]=4 4813 B13R0.147 CC/C=C/CCCOCCC(=O)OC 34a_100016287902_100000742370 [0,1,0,0,0,0|1,0,2]=4 4814 B13R0.147 CC/C=C/CCCOCCC(=O)OC 7a_100016287902_100000204255 [0,1,0,0,0,0|1,0,2]=4 4815 B13R0.147 CC/C=C\CCCCOCC(=O)OC 34a_100016287862_100000747449 [0,1,0,0,0,0|1,0,2]=4 4816 B13R0.147 CC/C=C\CCCCOCC(=O)OC 7a_100016287862_100000747449 [0,1,0,0,0,0|1,0,2]=4 4817 B13R0.147 CC/C=C\CCOCCCC(=O)OC 34a_100016288707_100000742333 [0,1,0,0,0,0|1,0,2]=4 4818 B13R0.147 CC/C=C\CCOCCCC(=O)OC 7a_100016288707_100011218270 [0,1,0,0,0,0|1,0,2]=4 4819 B13R0.147 CC/C=C\CCSCCCC(=O)OC 62a_100011218270_100015370543 [0,1,0,0,0,0|1,0,2]=4 4820 B13R0.147 CC/C=C\CCSCCCC(=O)OC 62a_100015370543_100011218270 [0,1,0,0,0,0|1,0,2]=4 4821 B13R0.147 CC/C=C\COCCCCC(=O)OC 34a_100000059025_100103147603 [0,1,0,0,0,0|1,0,2]=4 4822 B13R0.147 CC/C=C\COCCCCC(=O)OC 34a_100016268518_100000204269 [0,1,0,0,0,0|1,0,2]=4 4823 B13R0.147 CC/C=C\COCCCCC(=O)OC 7a_100000059025_100103147603 [0,1,0,0,0,0|1,0,2]=4 4824 B13R0.147 CC/C=C\CSCCCCC(=O)OC 62a_100000204269_100103147603 [0,1,0,0,0,0|1,0,2]=4 4825 B13R0.147 CC/C=C\CSCCCCC(=O)OC 62a_100103147603_100000204269 [0,1,0,0,0,0|1,0,2]=4 4826 B13R0.147 CC=CCCCOCCCC(=O)OC 34a_100020645299_100000742333 [0,1,0,0,0,0|1,0,2]=4 4827 B13R0.147 CC=CCOCCCCCC(=O)OC 34a_100000074720_100000070051 [0,1,0,0,0,0|1,0,2]=4 4828 B13R0.147 CC=CCOCCCCCC(=O)OC 7a_100000074720_100000070051 [0,1,0,0,0,0|1,0,2]=4 4829 B13R0.147 CC=CCSCCCCCC(=O)OC 62a_100000070051_100009816466 [0,1,0,0,0,0|1,0,2]=4 4830 B13R0.147 CC=CCSCCCCCC(=O)OC 62a_100009816466_100000070051 [0,1,0,0,0,0|1,0,2]=4 4831 B13R0.147 CCC#CCCCCCCC(=O)CC 1458a_100000210414_200000036426 [0,1,0,0,0,0|1,0,2]=4 4832 B13R0.147 CCC#CCCCCCCC(=O)CO 1458a_100000210174_200000036426 [0,1,0,0,0,0|0,0,2]=3 4833 B13R0.147 CCC#CCCOCCCC(=O)OC 34a_100000036655_100000742333 [0,1,0,0,0,0|1,0,2]=4 4834 B13R0.147 CCC#CCCOCCCC(=O)OC 7a_100000036655_100011218270 [0,1,0,0,0,0|1,0,2]=4 4835 B13R0.147 CCC#CCOCCCCC(=O)OC 34a_100000032950_100000204269 [0,1,0,0,0,0|1,0,2]=4 4836 B13R0.147 CCC#CCOCCCCC(=O)OC 34a_100000059025_100009813939 [0,1,0,0,0,0|1,0,2]=4 4837 B13R0.147 CCC#CCOCCCCC(=O)OC 7a_100000059025_100009813939 [0,1,0,0,0,0|1,0,2]=4 4838 B13R0.147 CCC#CCSCCCCC(=O)OC 62a_100000204269_100009813939 [0,1,0,0,0,0|1,0,2]=4 4839 B13R0.147 CCC#CCSCCCCC(=O)OC 62a_100009813939_100000204269 [0,1,0,0,0,0|1,0,2]=4 4840 B13R0.147 CCC(=O)CCCCCCCCCF 1458a_200009909015_100000210202 [0,1,0,0,0,0|2,0,0]=3 4841 B13R0.147 CCC(=O)CCCCCCCCCO 1458a_100000210414_100009813782 [0,1,0,0,0,0|2,0,0]=3 4842 B13R0.147 CCC(=O)COCCCCCCCBr 7a_100000760002_100000747405 [0,1,0,0,0,0|3,0,0]=4 4843 B13R0.147 CCC(=O)COCCCCCCCO 34a_100000725409_100000760002 [0,1,0,0,0,0|3,0,0]=4 4844 B13R0.147 CCC(=O)COCCCCCCOC 34a_100000725409_100011998445 [0,1,0,0,0,0|3,0,0]=4 4845 B13R0.147 CCC(=O)COCCCCCCOC 7a_200012092642_100000747405 [0,1,0,0,0,0|3,0,0]=4 4846 B13R0.147 CCC(=O)CSCCCCCCCO 62a_100000747405_100000760002 [0,1,0,0,0,0|3,0,0]=4 4847 B13R0.147 CCC(=O)CSCCCCCCCO 62a_100000760002_100000747405 [0,1,0,0,0,0|3,0,0]=4 4848 B13R0.147 CCC(=O)CSCCCCCCOC 62a_100000747405_100011998445 [0,1,0,0,0,0|3,0,0]=4 4849 B13R0.147 CCC(=O)CSCCCCCCOC 62a_100011998445_100000747405 [0,1,0,0,0,0|3,0,0]=4 4850 B13R0.147 CCC(=O)NCCCCCCCCO 240690a_102515433106_100000210414 [0,1,0,0,0,0|3,0,0]=4 4851 B13R0.147 CCC/C=C/COCCCC(=O)OC 34a_100016278788_100000742333 [0,1,0,0,0,0|1,0,2]=4 4852 B13R0.147 CCC/C=C/COCCCC(=O)OC 7a_100016278788_100011218270 [0,1,0,0,0,0|1,0,2]=4 4853 B13R0.147 CCCC#CCCOCCC(=O)OC 34a_100000042726_100000742370 [0,1,0,0,0,0|1,0,2]=4 4854 B13R0.147 CCCC#CCCOCCC(=O)OC 7a_100000042726_100000204255 [0,1,0,0,0,0|1,0,2]=4 4855 B13R0.147 CCCC#CCOCCCC(=O)OC 34a_100000034806_100000742333 [0,1,0,0,0,0|1,0,2]=4 4856 B13R0.147 CCCC#CCOCCCC(=O)OC 7a_100000034806_100011218270 [0,1,0,0,0,0|1,0,2]=4 4857 B13R0.147 CCCC/C=C/COCCC(=O)OC 34a_200016272032_100000742370 [0,1,0,0,0,0|1,0,2]=4 4858 B13R0.147 CCCC/C=C/COCCC(=O)OC 7a_200016272032_100000204255 [0,1,0,0,0,0|1,0,2]=4 4859 B13R0.147 CCCC/C=C\CCOCC(=O)OC 34a_200016286491_100000747449 [0,1,0,0,0,0|1,0,2]=4 4860 B13R0.147 CCCC/C=C\CCOCC(=O)OC 7a_200016286491_100000747449 [0,1,0,0,0,0|1,0,2]=4 4861 B13R0.147 CCCCC#CCCOCC(=O)OC 34a_100000037610_100000747449 [0,1,0,0,0,0|1,0,2]=4 4862 B13R0.147 CCCCC#CCCOCC(=O)OC 7a_100000037610_100000747449 [0,1,0,0,0,0|1,0,2]=4 4863 B13R0.147 CCCCC#CCOCCC(=O)OC 34a_200000034558_100000742370 [0,1,0,0,0,0|1,0,2]=4 4864 B13R0.147 CCCCC#CCOCCC(=O)OC 7a_200000034558_100000204255 [0,1,0,0,0,0|1,0,2]=4 4865 B13R0.147 CCCCC/C=C/COCC(=O)OC 34a_100016258190_100000747449 [0,1,0,0,0,0|1,0,2]=4 4866 B13R0.147 CCCCC/C=C/COCC(=O)OC 7a_100016258190_100000747449 [0,1,0,0,0,0|1,0,2]=4 4867 B13R0.147 CCCCCC#CCOCC(=O)OC 34a_200000033628_100000747449 [0,1,0,0,0,0|1,0,2]=4 4868 B13R0.147 CCCCCC#CCOCC(=O)OC 7a_200000033628_100000747449 [0,1,0,0,0,0|1,0,2]=4 4869 B13R0.147 CCCCCC#CCSCC(=O)OC 62a_100000747449_100009816472 [0,1,0,0,0,0|1,0,2]=4 4870 B13R0.147 CCCCCC#CCSCC(=O)OC 62a_100009816472_100000747449 [0,1,0,0,0,0|1,0,2]=4 4871 B13R0.147 CCCCCCCCC=CC(=O)CC 1458a_100015345288_100000210202 [0,1,0,0,0,0|1,0,2]=4 4872 B13R0.147 CCCCCCCCC=CC(=O)CF 1458a_100015345288_100015361967 [0,1,0,0,0,0|1,0,2]=4 4873 B13R0.147 CCCCCCCCC=CC(=O)NC 11a_106832991635_100015345288 [0,1,0,0,0,0|1,0,2]=4 4874 B13R0.147 CCCCCCCCC=CC(=O)NC 1626a_100102657272_100015345288 [0,1,0,0,0,0|1,0,2]=4 4875 B13R0.147 CCCCCCCCC=CC(=O)NC 240690a_100102657272_100015345288 [0,1,0,0,0,0|1,0,2]=4 4876 B13R0.147 CCCCCCCCCCC(=O)CC 1458a_100000210375_100000210202 [0,1,0,0,0,0|1,0,0]=2 4877 B13R0.147 CCCCCCCCCCC(=O)CC 1458a_100000210414_100000210319 [0,1,0,0,0,0|1,0,0]=2 4878 B13R0.147 CCCCCCCCCCC(=O)CF 1458a_100000210375_100015361967 [0,1,0,0,0,0|1,0,0]=2 4879 B13R0.147 CCCCCCCCCCC(=O)CO 1458a_100000210174_100000210319 [0,1,0,0,0,0|0,0,0]=1 4880 B13R0.147 CCCCCCCCCCC(=O)NC 11a_106832991635_100000210375 [0,1,0,0,0,0|1,0,0]=2 4881 B13R0.147 CCCCCCCCCCC(=O)NC 1626a_100102657272_100000210375 [0,1,0,0,0,0|1,0,0]=2 4882 B13R0.147 CCCCCCCCCCC(=O)NC 240690a_100102657272_100000210375 [0,1,0,0,0,0|1,0,0]=2 4883 B13R0.147 CCCCCCCCCCC(C)NC 270004a_106832991635_200011219864 [0,1,0,0,0,0|2,0,1]=4 4884 B13R0.147 CCCCCCCCCCC(C)OC 34a_100011215000_200000210301 [0,1,0,0,0,0|1,0,1]=3 4885 B13R0.147 CCCCCCCCCCC(C)OC 7a_100011215000_200000210301 [0,1,0,0,0,0|1,0,1]=3 4886 B13R0.147 CCCCCCCCCCC(C)O[13CH3] 34a_100011215000_200025704644 [0,1,0,0,0,0|1,0,1]=3 4887 B13R0.147 CCCCCCCCCCC(C)O[13CH3] 7a_100011215000_200025704644 [0,1,0,0,0,0|1,0,1]=3 4888 B13R0.147 CCCCCCCCCCN(C)CC 2230a_100000207566_100000210202 [0,1,0,0,0,0|3,0,0]=4 4889 B13R0.147 CCCCCCCCCCN(C)CC 2230a_100000225621_100000210320 [0,1,0,0,0,0|3,0,0]=4 4890 B13R0.147 CCCCCCCCCCN(C)CC 269982a_100000207566_100000204670 [0,1,0,0,0,0|3,0,0]=4 4891 B13R0.147 CCCCCCCCCCN(C)CC 269982a_100000225621_100000210320 [0,1,0,0,0,0|3,0,0]=4 4892 B13R0.147 CCCCCCCCCCN(C)CF 269982a_100000207566_100015361967 [0,1,0,0,0,0|3,0,0]=4 4893 B13R0.147 CCCCCCCCCNC(=O)CC 11a_100000212291_100000210414 [0,1,0,0,0,0|2,0,0]=3 4894 B13R0.147 CCCCCCCCCNC(=O)CC 1626a_100000212291_100000210414 [0,1,0,0,0,0|2,0,0]=3 4895 B13R0.147 CCCCCCCCCNC(=O)CC 240690a_100000212291_100000210414 [0,1,0,0,0,0|2,0,0]=3 4896 B13R0.147 CCCCCCCCCNC(=O)CC 527a_100000212291_100000210414 [0,1,0,0,0,0|2,0,0]=3 4897 B13R0.147 CCCCCCCCCNC(=O)CO 240690a_100000212291_100000210174 [0,1,0,0,0,0|1,0,0]=2 4898 B13R0.147 CCCCCCCCCNC(=O)CO 527a_100000212291_100000210174 [0,1,0,0,0,0|1,0,0]=2 4899 B13R0.147 CCCCCCCCCNC(=O)NC 2708a_100000212291_106832991635 [0,1,0,0,0,0|2,0,0]=3 4900 B13R0.147 CCCCCCCCCNC(=O)NC 2708a_100102657272_100000212291 [0,1,0,0,0,0|2,0,0]=3 4901 B13R0.147 CCCCCCCCCNC(=O)NC 273464a_100000212291_100102657272 [0,1,0,0,0,0|2,0,0]=3 4902 B13R0.147 CCCCCCCCCNC(=O)NC 273464a_100102657272_100000212291 [0,1,0,0,0,0|2,0,0]=3 4903 B13R0.147 CCCCCCCCCNC(=O)NC 512a_100000212291_100102657272 [0,1,0,0,0,0|2,0,0]=3 4904 B13R0.147 CCCCCCCCCNC(=O)NC 512a_106832991638_100000212291 [0,1,0,0,0,0|2,0,0]=3 4905 B13R0.147 CCCCCCCCCNC(C)CO 2230a_100000212291_100012180447 [0,1,0,0,0,0|2,0,1]=4 4906 B13R0.147 CCCCCCCCCNC(C)CO 34a_100000212291_100012180447 [0,1,0,0,0,0|2,0,1]=4 4907 B13R0.147 CCCCCCCCCN[C@H](C)CO 2230a_100000737577_100011214924 [0,1,0,0,0,0|2,0,1]=4 4908 B13R0.147 CCCCCCCCCOC(C)CO 34a_100000210712_100012180447 [0,1,0,0,0,0|2,0,1]=4 4909 B13R0.147 CCCCCCCCCOC(C)CO 7a_100000210712_100012180447 [0,1,0,0,0,0|2,0,1]=4 4910 B13R0.147 CCCCCCCCCSC(C)CO 62a_100012180447_100000210670 [0,1,0,0,0,0|2,0,1]=4 4911 B13R0.147 CCCCCCCCCSC(C)OC 62a_100009879195_100000210670 [0,1,0,0,0,0|2,0,1]=4 4912 B13R0.147 CCCCCCCCCS[C@H](C)CO 62a_100016084084_100000210670 [0,1,0,0,0,0|2,0,1]=4 4913 B13R0.147 CCCCCCCCNCC(=O)NC 2230a_100000229939_100000183359 [0,1,0,0,0,0|2,0,0]=3 4914 B13R0.147 CCCCCCCCNCC(=O)NC 2230a_100000693194_100000210759 [0,1,0,0,0,0|2,0,0]=3 4915 B13R0.147 CCCCCCCCNCC(=O)NC 34a_100000229939_100000183359 [0,1,0,0,0,0|2,0,0]=3 4916 B13R0.147 CCCCCCCCNCC(=O)OC 2230a_100000229939_100000747449 [0,1,0,0,0,0|1,0,0]=2 4917 B13R0.147 CCCCCCCCNCC(=O)OC 34a_100000229939_100000747449 [0,1,0,0,0,0|1,0,0]=2 4918 B13R0.147 CCCCCCCCNCC(C)CO 34a_100000744482_100000210759 [0,1,0,0,0,0|2,0,1]=4 4919 B13R0.147 CCCCCCCCNCC(O)CC 2230a_100000229939_100011218378 [0,1,0,0,0,0|2,0,1]=4 4920 B13R0.147 CCCCCCCCNCC(O)CC 2230a_100011218483_100000210759 [0,1,0,0,0,0|2,0,1]=4 4921 B13R0.147 CCCCCCCCNCC(O)CC 34a_100000229939_100011218378 [0,1,0,0,0,0|2,0,1]=4 4922 B13R0.147 CCCCCCCCNCC(O)CO 2230a_100000229939_100011219619 [0,1,0,0,0,0|1,0,2]=4 4923 B13R0.147 CCCCCCCCNCC(O)CO 34a_100000229939_100011219619 [0,1,0,0,0,0|1,0,2]=4 4924 B13R0.147 CCCCCCCCNC[C@@H](C)CO 2230a_100000229939_100000059175 [0,1,0,0,0,0|2,0,1]=4 4925 B13R0.147 CCCCCCCCNC[C@@H](C)CO 34a_100000229939_100000059175 [0,1,0,0,0,0|2,0,1]=4 4926 B13R0.147 CCCCCCCCNC[C@@H](C)OC 2230a_100020591295_100000210759 [0,1,0,0,0,0|2,0,1]=4 4927 B13R0.147 CCCCCCCCNC[C@@H](F)CO 34a_100015665980_100000210759 [0,1,0,0,0,0|2,0,1]=4 4928 B13R0.147 CCCCCCCCNC[C@@H](O)CF 2230a_100000229939_100015614560 [0,1,0,0,0,0|2,0,1]=4 4929 B13R0.147 CCCCCCCCNC[C@@H](O)CF 34a_100000229939_100015614560 [0,1,0,0,0,0|2,0,1]=4 4930 B13R0.147 CCCCCCCCNC[C@@H](O)CO 2230a_100000229939_100009815848 [0,1,0,0,0,0|1,0,2]=4 4931 B13R0.147 CCCCCCCCNC[C@@H](O)CO 34a_100000229939_100009815848 [0,1,0,0,0,0|1,0,2]=4 4932 B13R0.147 CCCCCCCCNC[C@H](O)CO 2230a_100020644852_100000210759 [0,1,0,0,0,0|1,0,2]=4 4933 B13R0.147 CCCCCCCCOCC(=O)CC 1458a_100000759886_100000210202 [0,1,0,0,0,0|2,0,0]=3 4934 B13R0.147 CCCCCCCCOCC(=O)CC 34a_100000725409_100000210759 [0,1,0,0,0,0|2,0,0]=3 4935 B13R0.147 CCCCCCCCOCC(=O)CC 7a_100000210232_100000747405 [0,1,0,0,0,0|2,0,0]=3 4936 B13R0.147 CCCCCCCCOCC(=O)CF 1458a_100000759886_100015361967 [0,1,0,0,0,0|2,0,0]=3 4937 B13R0.147 CCCCCCCCOCC(=O)NC 11a_106832991635_100000759886 [0,1,0,0,0,0|2,0,0]=3 4938 B13R0.147 CCCCCCCCOCC(=O)NC 1626a_100102657272_100000759886 [0,1,0,0,0,0|2,0,0]=3 4939 B13R0.147 CCCCCCCCOCC(=O)NC 240690a_100102657272_100000759886 [0,1,0,0,0,0|2,0,0]=3 4940 B13R0.147 CCCCCCCCOCC(=O)NC 34a_100000210232_100000183359 [0,1,0,0,0,0|2,0,0]=3 4941 B13R0.147 CCCCCCCCOCC(=O)NC 34a_100000750040_100000210759 [0,1,0,0,0,0|2,0,0]=3 4942 B13R0.147 CCCCCCCCOCC(=O)NC 527a_100102657272_100000759886 [0,1,0,0,0,0|2,0,0]=3 4943 B13R0.147 CCCCCCCCOCC(=O)NC 7a_100000210232_100000183359 [0,1,0,0,0,0|2,0,0]=3 4944 B13R0.147 CCCCCCCCOCC(=O)OC 34a_100000210232_100000747449 [0,1,0,0,0,0|1,0,0]=2 4945 B13R0.147 CCCCCCCCOCC(=O)OC 7a_100000210232_100000747449 [0,1,0,0,0,0|1,0,0]=2 4946 B13R0.147 CCCCCCCCOCC(C)OC 34a_100000690652_100000210759 [0,1,0,0,0,0|2,0,1]=4 4947 B13R0.147 CCCCCCCCOCC(O)CC 34a_100000210232_100011218378 [0,1,0,0,0,0|2,0,1]=4 4948 B13R0.147 CCCCCCCCOCC(O)CC 7a_100000210232_100011218378 [0,1,0,0,0,0|2,0,1]=4 4949 B13R0.147 CCCCCCCCOCC(O)CO 34a_100000210232_100011219619 [0,1,0,0,0,0|1,0,2]=4 4950 B13R0.147 CCCCCCCCOCC(O)CO 7a_100000210232_100011219619 [0,1,0,0,0,0|1,0,2]=4 4951 B13R0.147 CCCCCCCCOC[C@@H](C)CO 34a_100000210232_100000059175 [0,1,0,0,0,0|2,0,1]=4 4952 B13R0.147 CCCCCCCCOC[C@@H](C)CO 7a_100000210232_100000059175 [0,1,0,0,0,0|2,0,1]=4 4953 B13R0.147 CCCCCCCCOC[C@@H](O)CF 34a_100000210232_100015614560 [0,1,0,0,0,0|2,0,1]=4 4954 B13R0.147 CCCCCCCCOC[C@@H](O)CF 7a_100000210232_100015614560 [0,1,0,0,0,0|2,0,1]=4 4955 B13R0.147 CCCCCCCCOC[C@@H](O)CO 34a_100000210232_100009815848 [0,1,0,0,0,0|1,0,2]=4 4956 B13R0.147 CCCCCCCCOC[C@@H](O)CO 7a_100000210232_100009815848 [0,1,0,0,0,0|1,0,2]=4 4957 B13R0.147 CCCCCCCCSCC(=O)CC 62a_100000210759_100000747405 [0,1,0,0,0,0|2,0,0]=3 4958 B13R0.147 CCCCCCCCSCC(=O)CC 62a_100000747405_100000210317 [0,1,0,0,0,0|2,0,0]=3 4959 B13R0.147 CCCCCCCCSCC(=O)NC 62a_100000183359_100000210317 [0,1,0,0,0,0|2,0,0]=3 4960 B13R0.147 CCCCCCCCSCC(=O)NC 62a_100000210759_100000183359 [0,1,0,0,0,0|2,0,0]=3 4961 B13R0.147 CCCCCCCCSCC(=O)OC 62a_100000210759_100000747449 [0,1,0,0,0,0|1,0,0]=2 4962 B13R0.147 CCCCCCCCSCC(=O)OC 62a_100000747449_100000210317 [0,1,0,0,0,0|1,0,0]=2 4963 B13R0.147 CCCCCCCCSCC(O)CC 62a_100000210759_100011218378 [0,1,0,0,0,0|2,0,1]=4 4964 B13R0.147 CCCCCCCCSCC(O)CC 62a_100011218378_100000210317 [0,1,0,0,0,0|2,0,1]=4 4965 B13R0.147 CCCCCCCCSCC(O)CO 62a_100000210759_100011219619 [0,1,0,0,0,0|1,0,2]=4 4966 B13R0.147 CCCCCCCCSCC(O)CO 62a_100011219619_100000210317 [0,1,0,0,0,0|1,0,2]=4 4967 B13R0.147 CCCCCCCCSC[C@@H](C)CO 62a_100000059175_100000210317 [0,1,0,0,0,0|2,0,1]=4 4968 B13R0.147 CCCCCCCCSC[C@@H](C)CO 62a_100000210759_100000059175 [0,1,0,0,0,0|2,0,1]=4 4969 B13R0.147 CCCCCCCCSC[C@@H](O)CF 62a_100000210759_100015614560 [0,1,0,0,0,0|2,0,1]=4 4970 B13R0.147 CCCCCCCCSC[C@@H](O)CF 62a_100015614560_100000210317 [0,1,0,0,0,0|2,0,1]=4 4971 B13R0.147 CCCCCCCCSC[C@@H](O)CO 62a_100000210759_100009815848 [0,1,0,0,0,0|1,0,2]=4 4972 B13R0.147 CCCCCCCCSC[C@@H](O)CO 62a_100009815848_100000210317 [0,1,0,0,0,0|1,0,2]=4 4973 B13R0.147 CCCCCCCNCCC(=O)NC 2230a_100000229938_100000737683 [0,1,0,0,0,0|2,0,0]=3 4974 B13R0.147 CCCCCCCNCCC(=O)NC 2230a_100000738227_100000210681 [0,1,0,0,0,0|2,0,0]=3 4975 B13R0.147 CCCCCCCNCCC(=O)NC 34a_100000738227_100000210614 [0,1,0,0,0,0|2,0,0]=3 4976 B13R0.147 CCCCCCCNCCC(=O)OC 2230a_100000229938_100000204255 [0,1,0,0,0,0|1,0,0]=2 4977 B13R0.147 CCCCCCCNCCC(C)CO 2230a_106354213184_100000210681 [0,1,0,0,0,0|2,0,1]=4 4978 B13R0.147 CCCCCCCNCCC(C)CO 34a_106354213184_100000210614 [0,1,0,0,0,0|2,0,1]=4 4979 B13R0.147 CCCCCCCOCCC(=NO)N 34a_100000749954_100000210614 [0,1,0,0,0,0|2,0,0]=3 4980 B13R0.147 CCCCCCCOCCC(=O)NC 34a_100000210272_100012179268 [0,1,0,0,0,0|2,0,0]=3 4981 B13R0.147 CCCCCCCOCCC(=O)NC 34a_100000754576_100000210614 [0,1,0,0,0,0|2,0,0]=3 4982 B13R0.147 CCCCCCCOCCC(=O)NC 7a_100000210272_100000737683 [0,1,0,0,0,0|2,0,0]=3 4983 B13R0.147 CCCCCCCOCCC(=O)OC 34a_100000210272_100000742370 [0,1,0,0,0,0|1,0,0]=2 4984 B13R0.147 CCCCCCCOCCC(=O)OC 7a_100000210272_100000204255 [0,1,0,0,0,0|1,0,0]=2 4985 B13R0.147 CCCCCCCOCCC(C)OC 7a_100000764861_100000210614 [0,1,0,0,0,0|2,0,1]=4 4986 B13R0.147 CCCCCCCSCCC(=O)NC 62a_100000210614_100000737683 [0,1,0,0,0,0|2,0,0]=3 4987 B13R0.147 CCCCCCCSCCC(=O)NC 62a_100000737683_100000210316 [0,1,0,0,0,0|2,0,0]=3 4988 B13R0.147 CCCCCCCSCCC(=O)OC 62a_100000204255_100000210316 [0,1,0,0,0,0|1,0,0]=2 4989 B13R0.147 CCCCCCCSCCC(=O)OC 62a_100000210614_100000204255 [0,1,0,0,0,0|1,0,0]=2 4990 B13R0.147 CCCCCCCSCOC(=O)OC 62a_100000210614_100000139417 [0,1,0,0,0,0|2,0,0]=3 4991 B13R0.147 CCCCCCNC/C=C/C(=O)OC 2230a_100000210581_100000742655 [0,1,0,0,0,0|1,0,2]=4 4992 B13R0.147 CCCCCCNCCCC(=O)NC 2230a_100000210581_100000741757 [0,1,0,0,0,0|2,0,0]=3 4993 B13R0.147 CCCCCCNCCCC(=O)NC 2230a_100000740002_100000210314 [0,1,0,0,0,0|2,0,0]=3 4994 B13R0.147 CCCCCCNCCCC(=O)NC 34a_100000740002_100000210314 [0,1,0,0,0,0|2,0,0]=3 4995 B13R0.147 CCCCCCNCCCC(=O)OC 2230a_100000210581_100011218270 [0,1,0,0,0,0|1,0,0]=2 4996 B13R0.147 CCCCCCNCCNC(=O)CC 34a_100132302217_100000210314 [0,1,0,0,0,0|3,0,0]=4 4997 B13R0.147 CCCCCCNCCNC(=O)NC 34a_100015205895_100000210314 [0,1,0,0,0,0|3,0,0]=4 4998 B13R0.147 CCCCCCOC/C=C/C(=O)OC 34a_100000210259_100000742655 [0,1,0,0,0,0|1,0,2]=4 4999 B13R0.147 CCCCCCOC/C=C/C(=O)OC 7a_100000210259_100000742655 [0,1,0,0,0,0|1,0,2]=4 5000 B13R0.147 CCCCCCOCCCC(=O)NC 34a_100000210259_100000741757 [0,1,0,0,0,0|2,0,0]=3 5001 B13R0.147 CCCCCCOCCCC(=O)NC 7a_100000210259_100000741757 [0,1,0,0,0,0|2,0,0]=3 5002 B13R0.147 CCCCCCOCCCC(=O)NN 34a_100000211488_100000210314 [0,1,0,0,0,0|2,0,0]=3 5003 B13R0.147 CCCCCCOCCCC(=O)OC 34a_100000210259_100000742333 [0,1,0,0,0,0|1,0,0]=2 5004 B13R0.147 CCCCCCOCCCC(=O)OC 7a_100000210259_100011218270 [0,1,0,0,0,0|1,0,0]=2 5005 B13R0.147 CCCCCCOCCNC(=O)CC 34a_200000158885_100000210314 [0,1,0,0,0,0|3,0,0]=4 5006 B13R0.147 CCCCCCOCCNC(=O)CC 7a_200000158885_100000210314 [0,1,0,0,0,0|3,0,0]=4 5007 B13R0.147 CCCCCCOCCNC(=O)OC 34a_100000757965_100000210314 [0,1,0,0,0,0|2,0,0]=3 5008 B13R0.147 CCCCCCOCCOC(=O)CC 7a_200000031056_100000210314 [0,1,0,0,0,0|3,0,0]=4 5009 B13R0.147 CCCCCCOCCOC(=O)NC 34a_100000210259_200011997002 [0,1,0,0,0,0|3,0,0]=4 5010 B13R0.147 CCCCCCOCCOC(=O)NC 7a_100000210259_200011997002 [0,1,0,0,0,0|3,0,0]=4 5011 B13R0.147 CCCCCCOCCOC(=O)OC 34a_100010262106_100000210314 [0,1,0,0,0,0|2,0,0]=3 5012 B13R0.147 CCCCCCSC/C=C/C(=O)OC 62a_100000210314_100000742655 [0,1,0,0,0,0|1,0,2]=4 5013 B13R0.147 CCCCCCSC/C=C/C(=O)OC 62a_100000742655_100000210757 [0,1,0,0,0,0|1,0,2]=4 5014 B13R0.147 CCCCCCSCCCC(=O)NC 62a_100000210314_100000741757 [0,1,0,0,0,0|2,0,0]=3 5015 B13R0.147 CCCCCCSCCCC(=O)NC 62a_100000741757_100000210757 [0,1,0,0,0,0|2,0,0]=3 5016 B13R0.147 CCCCCCSCCCC(=O)OC 62a_100000210314_100011218270 [0,1,0,0,0,0|1,0,0]=2 5017 B13R0.147 CCCCCCSCCCC(=O)OC 62a_100011218270_100000210757 [0,1,0,0,0,0|1,0,0]=2 5018 B13R0.147 CCCCCCSCCOC(=O)NC 62a_100000210314_200011997002 [0,1,0,0,0,0|3,0,0]=4 5019 B13R0.147 CCCCCCSCCOC(=O)NC 62a_200011997002_100000210757 [0,1,0,0,0,0|3,0,0]=4 5020 B13R0.147 CCCCCNCCCCC(=O)OC 2230a_100000209983_100000204269 [0,1,0,0,0,0|1,0,0]=2 5021 B13R0.147 CCCCCNCCOCC(=O)NC 34a_100000224656_100000183359 [0,1,0,0,0,0|3,0,0]=4 5022 B13R0.147 CCCCCNCCOCC(=O)OC 2230a_100000209983_100000090808 [0,1,0,0,0,0|2,0,0]=3 5023 B13R0.147 CCCCCNCCOCC(=O)OC 34a_100000224656_100000747449 [0,1,0,0,0,0|2,0,0]=3 5024 B13R0.147 CCCCCNN=CCCC(=O)OC 4a_100000694160_100012047195 [0,1,0,0,0,0|2,0,1]=4 5025 B13R0.147 CCCCCOCCCCC(=O)OC 34a_100000059025_100000718602 [0,1,0,0,0,0|1,0,0]=2 5026 B13R0.147 CCCCCOCCCCC(=O)OC 34a_100000210253_100000204269 [0,1,0,0,0,0|1,0,0]=2 5027 B13R0.147 CCCCCOCCCCC(=O)OC 7a_100000059025_100000210326 [0,1,0,0,0,0|1,0,0]=2 5028 B13R0.147 CCCCCOCCCCC(=O)OC 7a_100000210253_100000204269 [0,1,0,0,0,0|1,0,0]=2 5029 B13R0.147 CCCCCOCCOCC(=O)CC 7a_100011215259_100000747405 [0,1,0,0,0,0|3,0,0]=4 5030 B13R0.147 CCCCCOCCOCC(=O)NC 34a_100011215259_100000183359 [0,1,0,0,0,0|3,0,0]=4 5031 B13R0.147 CCCCCOCCOCC(=O)NC 7a_100011215259_100000183359 [0,1,0,0,0,0|3,0,0]=4 5032 B13R0.147 CCCCCOCCOCC(=O)OC 34a_100000210253_100000090808 [0,1,0,0,0,0|2,0,0]=3 5033 B13R0.147 CCCCCOCCOCC(=O)OC 34a_100011215259_100000747449 [0,1,0,0,0,0|2,0,0]=3 5034 B13R0.147 CCCCCOCCOCC(=O)OC 7a_100000210253_100000090808 [0,1,0,0,0,0|2,0,0]=3 5035 B13R0.147 CCCCCOCCOCC(=O)OC 7a_100011215259_100000747449 [0,1,0,0,0,0|2,0,0]=3 5036 B13R0.147 CCCCCSCCCCC(=O)OC 62a_100000204269_100000210326 [0,1,0,0,0,0|1,0,0]=2 5037 B13R0.147 CCCCCSCCCCC(=O)OC 62a_100000210326_100000204269 [0,1,0,0,0,0|1,0,0]=2 5038 B13R0.147 CCCCCSCCOCC(=O)OC 62a_100000090808_100000210326 [0,1,0,0,0,0|2,0,0]=3 5039 B13R0.147 CCCCCSCCOCC(=O)OC 62a_100000210326_100000090808 [0,1,0,0,0,0|2,0,0]=3 5040 B13R0.147 CCCCNCCCCCC(=O)OC 2230a_100000102301_100009816466 [0,1,0,0,0,0|1,0,0]=2 5041 B13R0.147 CCCCNCCCCCC(=O)OC 7a_106832991798_100009816466 [0,1,0,0,0,0|1,0,0]=2 5042 B13R0.147 CCCCNN=CCCCC(=O)OC 4a_100025702795_100000094087 [0,1,0,0,0,0|2,0,1]=4 5043 B13R0.147 CCCCOCCCCCC(=O)OC 34a_100000074720_100000210210 [0,1,0,0,0,0|1,0,0]=2 5044 B13R0.147 CCCCOCCCCCC(=O)OC 34a_100000210227_100009816466 [0,1,0,0,0,0|1,0,0]=2 5045 B13R0.147 CCCCOCCCCCC(=O)OC 7a_100000074720_100000210211 [0,1,0,0,0,0|1,0,0]=2 5046 B13R0.147 CCCCOCCCCCC(=O)OC 7a_100000210227_100009816466 [0,1,0,0,0,0|1,0,0]=2 5047 B13R0.147 CCCCOCCCNCC(=O)NC 2230a_200000211371_100000183359 [0,1,0,0,0,0|3,0,0]=4 5048 B13R0.147 CCCCOCCCNCC(=O)NC 34a_200000211371_100000183359 [0,1,0,0,0,0|3,0,0]=4 5049 B13R0.147 CCCCOCCCNCC(=O)OC 2230a_200000211371_100000747449 [0,1,0,0,0,0|2,0,0]=3 5050 B13R0.147 CCCCOCCCNCC(=O)OC 34a_200000211371_100000747449 [0,1,0,0,0,0|2,0,0]=3 5051 B13R0.147 CCCCOCCCOCC(=O)CC 7a_200011215613_100000747405 [0,1,0,0,0,0|3,0,0]=4 5052 B13R0.147 CCCCOCCCOCC(=O)NC 34a_200011215613_100000183359 [0,1,0,0,0,0|3,0,0]=4 5053 B13R0.147 CCCCOCCCOCC(=O)NC 7a_200011215613_100000183359 [0,1,0,0,0,0|3,0,0]=4 5054 B13R0.147 CCCCOCCCOCC(=O)OC 34a_200011215613_100000747449 [0,1,0,0,0,0|2,0,0]=3 5055 B13R0.147 CCCCOCCCOCC(=O)OC 7a_200011215613_100000747449 [0,1,0,0,0,0|2,0,0]=3 5056 B13R0.147 CCCCOCCNCCC(=O)NC 2230a_100000738227_100000743108 [0,1,0,0,0,0|3,0,0]=4 5057 B13R0.147 CCCCOCCNCCC(=O)NC 34a_100000738227_100000743108 [0,1,0,0,0,0|3,0,0]=4 5058 B13R0.147 CCCCOCCOCCC(=NO)N 34a_100000749954_100000743108 [0,1,0,0,0,0|3,0,0]=4 5059 B13R0.147 CCCCOCCOCCC(=O)NC 34a_100000210238_100012179268 [0,1,0,0,0,0|3,0,0]=4 5060 B13R0.147 CCCCOCCOCCC(=O)NC 34a_100000754576_100000743108 [0,1,0,0,0,0|3,0,0]=4 5061 B13R0.147 CCCCOCCOCCC(=O)NC 7a_100000210238_100000737683 [0,1,0,0,0,0|3,0,0]=4 5062 B13R0.147 CCCCOCCOCCC(=O)OC 34a_100000210238_100000742370 [0,1,0,0,0,0|2,0,0]=3 5063 B13R0.147 CCCCOCCOCCC(=O)OC 7a_100000210238_100000204255 [0,1,0,0,0,0|2,0,0]=3 5064 B13R0.147 CCCCOCCSCCC(=O)NC 62a_100000737683_100000743108 [0,1,0,0,0,0|3,0,0]=4 5065 B13R0.147 CCCCOCCSCCC(=O)NC 62a_100000743108_100000737683 [0,1,0,0,0,0|3,0,0]=4 5066 B13R0.147 CCCCOCCSCCC(=O)OC 62a_100000204255_100000743108 [0,1,0,0,0,0|2,0,0]=3 5067 B13R0.147 CCCCOCCSCCC(=O)OC 62a_100000743108_100000204255 [0,1,0,0,0,0|2,0,0]=3 5068 B13R0.147 CCCCOCCSCOC(=O)OC 62a_100000743108_100000139417 [0,1,0,0,0,0|3,0,0]=4 5069 B13R0.147 CCCCOCNCCCC(=O)NC 2230a_100000740002_100011995733 [0,1,0,0,0,0|3,0,0]=4 5070 B13R0.147 CCCCOCNCCCC(=O)NC 34a_100000740002_100011995733 [0,1,0,0,0,0|3,0,0]=4 5071 B13R0.147 CCCCOCOCCCC(=O)NN 34a_100000211488_100011995733 [0,1,0,0,0,0|3,0,0]=4 5072 B13R0.147 CCCCOCOCCNC(=O)OC 34a_100000757965_100011995733 [0,1,0,0,0,0|3,0,0]=4 5073 B13R0.147 CCCCOCOCCOC(=O)OC 34a_100010262106_100011995733 [0,1,0,0,0,0|3,0,0]=4 5074 B13R0.147 CCCCOCSCCCC(=O)NC 62a_100000741757_100011995733 [0,1,0,0,0,0|3,0,0]=4 5075 B13R0.147 CCCCOCSCCCC(=O)NC 62a_100011995733_100000741757 [0,1,0,0,0,0|3,0,0]=4 5076 B13R0.147 CCCCOCSCCCC(=O)OC 62a_100011218270_100011995733 [0,1,0,0,0,0|2,0,0]=3 5077 B13R0.147 CCCCOCSCCCC(=O)OC 62a_100011995733_100011218270 [0,1,0,0,0,0|2,0,0]=3 5078 B13R0.147 CCCCSCCCCCC(=O)OC 62a_100000210211_100009816466 [0,1,0,0,0,0|1,0,0]=2 5079 B13R0.147 CCCCSCCCCCC(=O)OC 62a_100009816466_100000210210 [0,1,0,0,0,0|1,0,0]=2 5080 B13R0.147 CCCCSCCNCCC(=O)NC 2230a_100025743550_100000737683 [0,1,0,0,0,0|3,0,0]=4 5081 B13R0.147 CCCCSCCNCCC(=O)OC 2230a_100025743550_100000204255 [0,1,0,0,0,0|2,0,0]=3 5082 B13R0.147 CCCCSCCOCCC(=O)NC 34a_200000230436_100012179268 [0,1,0,0,0,0|3,0,0]=4 5083 B13R0.147 CCCCSCCOCCC(=O)NC 7a_200000230436_100000737683 [0,1,0,0,0,0|3,0,0]=4 5084 B13R0.147 CCCCSCCOCCC(=O)OC 34a_200000230436_100000742370 [0,1,0,0,0,0|2,0,0]=3 5085 B13R0.147 CCCCSCCOCCC(=O)OC 7a_200000230436_100000204255 [0,1,0,0,0,0|2,0,0]=3 5086 B13R0.147 CCCNN=CCCCCC(=O)OC 4a_100000740057_100000052768 [0,1,0,0,0,0|2,0,1]=4 5087 B13R0.147 CCCOCCCCCCC(=O)OC 34a_100000210258_100009815986 [0,1,0,0,0,0|1,0,0]=2 5088 B13R0.147 CCCOCCCCCCC(=O)OC 34a_100009863599_100000210303 [0,1,0,0,0,0|1,0,0]=2 5089 B13R0.147 CCCOCCCCCCC(=O)OC 7a_100009863599_100000210303 [0,1,0,0,0,0|1,0,0]=2 5090 B13R0.147 CCCOCCCNCCC(=O)NC 2230a_100011217757_100000737683 [0,1,0,0,0,0|3,0,0]=4 5091 B13R0.147 CCCOCCCNCCC(=O)NC 34a_100011217757_100012179268 [0,1,0,0,0,0|3,0,0]=4 5092 B13R0.147 CCCOCCCNCCC(=O)OC 2230a_100011217757_100000204255 [0,1,0,0,0,0|2,0,0]=3 5093 B13R0.147 CCCOCCCNCCC(=O)OC 34a_100011217757_100000742370 [0,1,0,0,0,0|2,0,0]=3 5094 B13R0.147 CCCOCCNCCCC(=O)NC 2230a_100000740002_100011215938 [0,1,0,0,0,0|3,0,0]=4 5095 B13R0.147 CCCOCCNCCCC(=O)NC 2230a_100161115042_100000741757 [0,1,0,0,0,0|3,0,0]=4 5096 B13R0.147 CCCOCCNCCCC(=O)NC 34a_100000740002_100011215938 [0,1,0,0,0,0|3,0,0]=4 5097 B13R0.147 CCCOCCNCCCC(=O)NC 34a_100161115042_100000741757 [0,1,0,0,0,0|3,0,0]=4 5098 B13R0.147 CCCOCCNCCCC(=O)OC 2230a_100161115042_100011218270 [0,1,0,0,0,0|2,0,0]=3 5099 B13R0.147 CCCOCCNCCCC(=O)OC 34a_100161115042_100000742333 [0,1,0,0,0,0|2,0,0]=3 5100 B13R0.147 CCCOCCOCCCC(=O)NC 34a_100000752267_100000741757 [0,1,0,0,0,0|3,0,0]=4 5101 B13R0.147 CCCOCCOCCCC(=O)NC 7a_100000752267_100000741757 [0,1,0,0,0,0|3,0,0]=4 5102 B13R0.147 CCCOCCOCCCC(=O)NN 34a_100000211488_100011215938 [0,1,0,0,0,0|3,0,0]=4 5103 B13R0.147 CCCOCCOCCCC(=O)OC 34a_100000752267_100000742333 [0,1,0,0,0,0|2,0,0]=3 5104 B13R0.147 CCCOCCOCCCC(=O)OC 7a_100000752267_100011218270 [0,1,0,0,0,0|2,0,0]=3 5105 B13R0.147 CCCOCCOCCNC(=O)CO 240690a_200011904461_100000210174 [0,1,0,0,0,0|3,0,0]=4 5106 B13R0.147 CCCOCCOCCNC(=O)OC 34a_100000757965_100011215938 [0,1,0,0,0,0|3,0,0]=4 5107 B13R0.147 CCCOCCOCCOC(=O)OC 34a_100010262106_100011215938 [0,1,0,0,0,0|3,0,0]=4 5108 B13R0.147 CCCOCCSCCCC(=O)NC 62a_100000741757_100011215938 [0,1,0,0,0,0|3,0,0]=4 5109 B13R0.147 CCCOCCSCCCC(=O)NC 62a_100011215938_100000741757 [0,1,0,0,0,0|3,0,0]=4 5110 B13R0.147 CCCOCCSCCCC(=O)OC 62a_100011215938_100011218270 [0,1,0,0,0,0|2,0,0]=3 5111 B13R0.147 CCCOCCSCCCC(=O)OC 62a_100011218270_100011215938 [0,1,0,0,0,0|2,0,0]=3 5112 B13R0.147 CCCSCCCCCCC(=O)OC 62a_100000210303_100009815986 [0,1,0,0,0,0|1,0,0]=2 5113 B13R0.147 CCCSCCCCCCC(=O)OC 62a_100009815986_100000210303 [0,1,0,0,0,0|1,0,0]=2 5114 B13R0.147 CCCSCCNCCCC(=O)NC 2230a_100020603323_100000741757 [0,1,0,0,0,0|3,0,0]=4 5115 B13R0.147 CCCSCCNCCCC(=O)OC 2230a_100020603323_100011218270 [0,1,0,0,0,0|2,0,0]=3 5116 B13R0.147 CCCSCCOCCCC(=O)NC 34a_200000230433_100000741757 [0,1,0,0,0,0|3,0,0]=4 5117 B13R0.147 CCCSCCOCCCC(=O)NC 7a_200000230433_100000741757 [0,1,0,0,0,0|3,0,0]=4 5118 B13R0.147 CCCSCCOCCCC(=O)OC 34a_200000230433_100000742333 [0,1,0,0,0,0|2,0,0]=3 5119 B13R0.147 CCCSCCOCCCC(=O)OC 7a_200000230433_100011218270 [0,1,0,0,0,0|2,0,0]=3 5120 B13R0.147 CCNCCCCCCCC(=O)OC 2230a_100015525214_100010004213 [0,1,0,0,0,0|1,0,0]=2 5121 B13R0.147 CCOCCCCCCCC(=O)OC 34a_100011022521_100000210202 [0,1,0,0,0,0|1,0,0]=2 5122 B13R0.147 CCOCCCCCCCC(=O)OC 34a_100121572206_100010004213 [0,1,0,0,0,0|1,0,0]=2 5123 B13R0.147 CCOCCCCCCCC(=O)OC 7a_100011022521_100000210202 [0,1,0,0,0,0|1,0,0]=2 5124 B13R0.147 CCOCCCNCCCC(=O)NC 2230a_100000210961_100000741757 [0,1,0,0,0,0|3,0,0]=4 5125 B13R0.147 CCOCCCNCCCC(=O)NC 2230a_100000740002_100012232248 [0,1,0,0,0,0|3,0,0]=4 5126 B13R0.147 CCOCCCNCCCC(=O)NC 34a_100000210961_100000741757 [0,1,0,0,0,0|3,0,0]=4 5127 B13R0.147 CCOCCCNCCCC(=O)NC 34a_100000740002_100012232248 [0,1,0,0,0,0|3,0,0]=4 5128 B13R0.147 CCOCCCNCCCC(=O)OC 2230a_100000210961_100011218270 [0,1,0,0,0,0|2,0,0]=3 5129 B13R0.147 CCOCCCNCCCC(=O)OC 34a_100000210961_100000742333 [0,1,0,0,0,0|2,0,0]=3 5130 B13R0.147 CCOCCCOCCCC(=O)NC 34a_100000757476_100000741757 [0,1,0,0,0,0|3,0,0]=4 5131 B13R0.147 CCOCCCOCCCC(=O)NC 7a_100000757476_100000741757 [0,1,0,0,0,0|3,0,0]=4 5132 B13R0.147 CCOCCCOCCCC(=O)NN 34a_100000211488_100012232248 [0,1,0,0,0,0|3,0,0]=4 5133 B13R0.147 CCOCCCOCCCC(=O)OC 34a_100000757476_100000742333 [0,1,0,0,0,0|2,0,0]=3 5134 B13R0.147 CCOCCCOCCCC(=O)OC 7a_100000757476_100011218270 [0,1,0,0,0,0|2,0,0]=3 5135 B13R0.147 CCOCCCOCCNC(=O)OC 34a_100000757965_100012232248 [0,1,0,0,0,0|3,0,0]=4 5136 B13R0.147 CCOCCCOCCOC(=O)OC 34a_100010262106_100012232248 [0,1,0,0,0,0|3,0,0]=4 5137 B13R0.147 CCOCCCSCCCC(=O)NC 62a_100000741757_100012232248 [0,1,0,0,0,0|3,0,0]=4 5138 B13R0.147 CCOCCCSCCCC(=O)NC 62a_100012232248_100000741757 [0,1,0,0,0,0|3,0,0]=4 5139 B13R0.147 CCOCCCSCCCC(=O)OC 62a_100011218270_100012232248 [0,1,0,0,0,0|2,0,0]=3 5140 B13R0.147 CCOCCCSCCCC(=O)OC 62a_100012232248_100011218270 [0,1,0,0,0,0|2,0,0]=3 5141 B13R0.147 CCOCCNCCCCC(=O)OC 2230a_102516460346_100000204269 [0,1,0,0,0,0|2,0,0]=3 5142 B13R0.147 CCOCCNCCCCC(=O)OC 34a_102516460346_100000204269 [0,1,0,0,0,0|2,0,0]=3 5143 B13R0.147 CCOCCNCCOCC(=O)OC 2230a_102516460346_100000090808 [0,1,0,0,0,0|3,0,0]=4 5144 B13R0.147 CCOCCNCCOCC(=O)OC 34a_102516460346_100000090808 [0,1,0,0,0,0|3,0,0]=4 5145 B13R0.147 CCOCCOCCCCC(=O)OC 34a_100000059025_100000210147 [0,1,0,0,0,0|2,0,0]=3 5146 B13R0.147 CCOCCOCCCCC(=O)OC 34a_100000210136_100000204269 [0,1,0,0,0,0|2,0,0]=3 5147 B13R0.147 CCOCCOCCCCC(=O)OC 7a_100000059025_100011215890 [0,1,0,0,0,0|2,0,0]=3 5148 B13R0.147 CCOCCOCCCCC(=O)OC 7a_100000210136_100000204269 [0,1,0,0,0,0|2,0,0]=3 5149 B13R0.147 CCOCCOCCNCC(=O)OC 2230a_100102712874_100000747449 [0,1,0,0,0,0|3,0,0]=4 5150 B13R0.147 CCOCCOCCNCC(=O)OC 34a_100102712874_100000747449 [0,1,0,0,0,0|3,0,0]=4 5151 B13R0.147 CCOCCOCCOCC(=O)OC 34a_100000210136_100000090808 [0,1,0,0,0,0|3,0,0]=4 5152 B13R0.147 CCOCCOCCOCC(=O)OC 34a_100000210240_100000747449 [0,1,0,0,0,0|3,0,0]=4 5153 B13R0.147 CCOCCOCCOCC(=O)OC 34a_100011023656_100000210202 [0,1,0,0,0,0|3,0,0]=4 5154 B13R0.147 CCOCCOCCOCC(=O)OC 7a_100000210136_100000090808 [0,1,0,0,0,0|3,0,0]=4 5155 B13R0.147 CCOCCOCCOCC(=O)OC 7a_100000210240_100000747449 [0,1,0,0,0,0|3,0,0]=4 5156 B13R0.147 CCOCCOCCOCC(=O)OC 7a_100011023656_100000210202 [0,1,0,0,0,0|3,0,0]=4 5157 B13R0.147 CCOCCOCCSCC(=O)OC 62a_100000747449_100011211534 [0,1,0,0,0,0|3,0,0]=4 5158 B13R0.147 CCOCCOCCSCC(=O)OC 62a_100011211534_100000747449 [0,1,0,0,0,0|3,0,0]=4 5159 B13R0.147 CCOCCSCCCCC(=O)OC 62a_100000204269_100011215890 [0,1,0,0,0,0|2,0,0]=3 5160 B13R0.147 CCOCCSCCCCC(=O)OC 62a_100000210147_100000204269 [0,1,0,0,0,0|2,0,0]=3 5161 B13R0.147 CCOCCSCCOCC(=O)OC 62a_100000090808_100011215890 [0,1,0,0,0,0|3,0,0]=4 5162 B13R0.147 CCOCCSCCOCC(=O)OC 62a_100000210147_100000090808 [0,1,0,0,0,0|3,0,0]=4 5163 B13R0.147 CCOCSCCCCCC(=O)OC 62a_100000739092_100009816466 [0,1,0,0,0,0|2,0,0]=3 5164 B13R0.147 CCOCSCCCCCC(=O)OC 62a_100009816466_100000739092 [0,1,0,0,0,0|2,0,0]=3 5165 B13R0.147 CCSCCCCCCCC(=O)OC 62a_100000210202_100010004213 [0,1,0,0,0,0|1,0,0]=2 5166 B13R0.147 CCSCCCCCCCC(=O)OC 62a_100010004213_100000210202 [0,1,0,0,0,0|1,0,0]=2 5167 B13R0.147 CCSCCCOCCCC(=O)NC 34a_100011216438_100000741757 [0,1,0,0,0,0|3,0,0]=4 5168 B13R0.147 CCSCCCOCCCC(=O)NC 7a_100011216438_100000741757 [0,1,0,0,0,0|3,0,0]=4 5169 B13R0.147 CCSCCCOCCCC(=O)OC 34a_100011216438_100000742333 [0,1,0,0,0,0|2,0,0]=3 5170 B13R0.147 CCSCCCOCCCC(=O)OC 7a_100011216438_100011218270 [0,1,0,0,0,0|2,0,0]=3 5171 B13R0.147 CCSCCNCCCCC(=O)OC 2230a_100000106463_100000204269 [0,1,0,0,0,0|2,0,0]=3 5172 B13R0.147 CCSCCNCCOCC(=O)OC 2230a_100000106463_100000090808 [0,1,0,0,0,0|3,0,0]=4 5173 B13R0.147 CCSCCOCCCCC(=O)OC 34a_100000059025_100000757381 [0,1,0,0,0,0|2,0,0]=3 5174 B13R0.147 CCSCCOCCCCC(=O)OC 34a_100000212035_100000204269 [0,1,0,0,0,0|2,0,0]=3 5175 B13R0.147 CCSCCOCCCCC(=O)OC 7a_100000059025_100000757381 [0,1,0,0,0,0|2,0,0]=3 5176 B13R0.147 CCSCCOCCCCC(=O)OC 7a_100000212035_100000204269 [0,1,0,0,0,0|2,0,0]=3 5177 B13R0.147 CCSCCOCCOCC(=O)OC 34a_100000212035_100000090808 [0,1,0,0,0,0|3,0,0]=4 5178 B13R0.147 CCSCCOCCOCC(=O)OC 7a_100000212035_100000090808 [0,1,0,0,0,0|3,0,0]=4 5179 B13R0.147 CCSCCSCCCCC(=O)OC 62a_100000204269_100000757381 [0,1,0,0,0,0|2,0,0]=3 5180 B13R0.147 CCSCCSCCCCC(=O)OC 62a_100000757381_100000204269 [0,1,0,0,0,0|2,0,0]=3 5181 B13R0.147 CCSCCSCCOCC(=O)OC 62a_100000090808_100000757381 [0,1,0,0,0,0|3,0,0]=4 5182 B13R0.147 CCSCCSCCOCC(=O)OC 62a_100000757381_100000090808 [0,1,0,0,0,0|3,0,0]=4 5183 B13R0.147 CNC(=O)CCCCCCCCCF 11a_106832991635_200009909015 [0,1,0,0,0,0|2,0,0]=3 5184 B13R0.147 CNC(=O)CCCCCCCCCF 240690a_100102657272_200009909015 [0,1,0,0,0,0|2,0,0]=3 5185 B13R0.147 CNC(=O)CCCCCCCCCF 527a_100102657272_200009909015 [0,1,0,0,0,0|2,0,0]=3 5186 B13R0.147 CNC(=O)CCCCCCCCCO 240690a_100102657272_100000032657 [0,1,0,0,0,0|2,0,0]=3 5187 B13R0.147 CNC(=O)CCCNCCCCCF 2230a_100000740002_100000729378 [0,1,0,0,0,0|3,0,0]=4 5188 B13R0.147 CNC(=O)CCCNCCCCCF 34a_100000740002_100000729378 [0,1,0,0,0,0|3,0,0]=4 5189 B13R0.147 CNC(=O)CCCNCCCCCO 2230a_100000740002_100000746330 [0,1,0,0,0,0|3,0,0]=4 5190 B13R0.147 CNC(=O)CCCNCCCCCO 2230a_100000762737_100000741757 [0,1,0,0,0,0|3,0,0]=4 5191 B13R0.147 CNC(=O)CCCNCCCCCO 34a_100000740002_100000746330 [0,1,0,0,0,0|3,0,0]=4 5192 B13R0.147 CNC(=O)CCCNCCCCCO 34a_100000762737_100000741757 [0,1,0,0,0,0|3,0,0]=4 5193 B13R0.147 CNC(=O)CCCNCCCCOC 2230a_100000740002_100000730899 [0,1,0,0,0,0|3,0,0]=4 5194 B13R0.147 CNC(=O)CCCNCCCCOC 34a_100000740002_100000755781 [0,1,0,0,0,0|3,0,0]=4 5195 B13R0.147 CNC(=O)CCCOCCCCCBr 34a_100000746331_100000741757 [0,1,0,0,0,0|3,0,0]=4 5196 B13R0.147 CNC(=O)CCCOCCCCCBr 7a_100000746331_100000741757 [0,1,0,0,0,0|3,0,0]=4 5197 B13R0.147 CNC(=O)CCCOCCCCCCl 34a_100000746330_100000741757 [0,1,0,0,0,0|3,0,0]=4 5198 B13R0.147 CNC(=O)CCCOCCCCCCl 7a_100000746330_100000741757 [0,1,0,0,0,0|3,0,0]=4 5199 B13R0.147 CNC(=O)CCCOCCCCCI 34a_200012148887_100000741757 [0,1,0,0,0,0|3,0,0]=4 5200 B13R0.147 CNC(=O)CCCOCCCCCI 7a_200012148887_100000741757 [0,1,0,0,0,0|3,0,0]=4 5201 B13R0.147 CNC(=O)CCCOCCCCCN 34a_100000762737_100000741757 [0,1,0,0,0,0|3,0,0]=4 5202 B13R0.147 CNC(=O)CCCOCCCCOC 34a_100000740925_100000741757 [0,1,0,0,0,0|3,0,0]=4 5203 B13R0.147 CNC(=O)CCCOCCCCSC 34a_100011217163_100000741757 [0,1,0,0,0,0|3,0,0]=4 5204 B13R0.147 CNC(=O)CCCOCCCCSC 7a_100011217163_100000741757 [0,1,0,0,0,0|3,0,0]=4 5205 B13R0.147 CNC(=O)CCCSCCCCCF 62a_100000729378_100000741757 [0,1,0,0,0,0|3,0,0]=4 5206 B13R0.147 CNC(=O)CCCSCCCCCF 62a_100000741757_100000729378 [0,1,0,0,0,0|3,0,0]=4 5207 B13R0.147 CNC(=O)CCCSCCCCCO 62a_100000741757_100000746330 [0,1,0,0,0,0|3,0,0]=4 5208 B13R0.147 CNC(=O)CCCSCCCCCO 62a_100000746330_100000741757 [0,1,0,0,0,0|3,0,0]=4 5209 B13R0.147 CNC(=O)CCCSCCCCOC 62a_100000730899_100000741757 [0,1,0,0,0,0|3,0,0]=4 5210 B13R0.147 CNC(=O)CCCSCCCCOC 62a_100000741757_100000730899 [0,1,0,0,0,0|3,0,0]=4 5211 B13R0.147 CNC(=O)CCNCCCCCCF 2230a_100000738227_100015922095 [0,1,0,0,0,0|3,0,0]=4 5212 B13R0.147 CNC(=O)CCNCCCCCCF 34a_100000738227_100015922095 [0,1,0,0,0,0|3,0,0]=4 5213 B13R0.147 CNC(=O)CCNCCCCCCO 2230a_100000686447_100000737683 [0,1,0,0,0,0|3,0,0]=4 5214 B13R0.147 CNC(=O)CCNCCCCCCO 2230a_100000738227_100000766143 [0,1,0,0,0,0|3,0,0]=4 5215 B13R0.147 CNC(=O)CCNCCCCCCO 34a_100000686447_100012179268 [0,1,0,0,0,0|3,0,0]=4 5216 B13R0.147 CNC(=O)CCNCCCCCCO 34a_100000738227_100000766143 [0,1,0,0,0,0|3,0,0]=4 5217 B13R0.147 CNC(=O)CCNCCCCCOC 2230a_100000747528_100000737683 [0,1,0,0,0,0|3,0,0]=4 5218 B13R0.147 CNC(=O)CCNCCCCCOC 34a_100000747528_100012179268 [0,1,0,0,0,0|3,0,0]=4 5219 B13R0.147 CNC(=O)CCOCCCCCCBr 34a_100011215345_100012179268 [0,1,0,0,0,0|3,0,0]=4 5220 B13R0.147 CNC(=O)CCOCCCCCCBr 7a_100011215345_100000737683 [0,1,0,0,0,0|3,0,0]=4 5221 B13R0.147 CNC(=O)CCOCCCCCCCl 34a_100000766143_100012179268 [0,1,0,0,0,0|3,0,0]=4 5222 B13R0.147 CNC(=O)CCOCCCCCCCl 7a_100000766143_100000737683 [0,1,0,0,0,0|3,0,0]=4 5223 B13R0.147 CNC(=O)CCOCCCCCCF 34a_100000732779_100012179268 [0,1,0,0,0,0|3,0,0]=4 5224 B13R0.147 CNC(=O)CCOCCCCCCF 34a_100000754576_100015922095 [0,1,0,0,0,0|3,0,0]=4 5225 B13R0.147 CNC(=O)CCOCCCCCCF 7a_100000732779_100000737683 [0,1,0,0,0,0|3,0,0]=4 5226 B13R0.147 CNC(=O)CCOCCCCCCN 34a_100000686447_100012179268 [0,1,0,0,0,0|3,0,0]=4 5227 B13R0.147 CNC(=O)CCOCCCCCCO 34a_100000754576_100000766143 [0,1,0,0,0,0|3,0,0]=4 5228 B13R0.147 CNC(=O)CCSCCCCCCF 62a_100000737683_100015922095 [0,1,0,0,0,0|3,0,0]=4 5229 B13R0.147 CNC(=O)CCSCCCCCCF 62a_100015922095_100000737683 [0,1,0,0,0,0|3,0,0]=4 5230 B13R0.147 CNC(=O)CCSCCCCCCO 62a_100000737683_100000766143 [0,1,0,0,0,0|3,0,0]=4 5231 B13R0.147 CNC(=O)CCSCCCCCCO 62a_100000766143_100000737683 [0,1,0,0,0,0|3,0,0]=4 5232 B13R0.147 CNC(=O)CNCCCCCCCO 2230a_100000693194_100000760002 [0,1,0,0,0,0|3,0,0]=4 5233 B13R0.147 CNC(=O)CNCCCCCCCO 2230a_100011996573_100000183359 [0,1,0,0,0,0|3,0,0]=4 5234 B13R0.147 CNC(=O)CNCCCCCCCO 34a_100011996573_100000183359 [0,1,0,0,0,0|3,0,0]=4 5235 B13R0.147 CNC(=O)CNCCCCCCOC 2230a_100000693194_100011998445 [0,1,0,0,0,0|3,0,0]=4 5236 B13R0.147 CNC(=O)COCCCCCCCBr 34a_100000760002_100000183359 [0,1,0,0,0,0|3,0,0]=4 5237 B13R0.147 CNC(=O)COCCCCCCCBr 7a_100000760002_100000183359 [0,1,0,0,0,0|3,0,0]=4 5238 B13R0.147 CNC(=O)COCCCCCCCN 34a_100011996573_100000183359 [0,1,0,0,0,0|3,0,0]=4 5239 B13R0.147 CNC(=O)COCCCCCCCO 34a_100000750040_100000760002 [0,1,0,0,0,0|3,0,0]=4 5240 B13R0.147 CNC(=O)COCCCCCCOC 34a_100000750040_100011998445 [0,1,0,0,0,0|3,0,0]=4 5241 B13R0.147 CNC(=O)COCCCCCCOC 34a_200012092642_100000183359 [0,1,0,0,0,0|3,0,0]=4 5242 B13R0.147 CNC(=O)COCCCCCCOC 7a_200012092642_100000183359 [0,1,0,0,0,0|3,0,0]=4 5243 B13R0.147 CNC(=O)CSCCCCCCCO 62a_100000183359_100000760002 [0,1,0,0,0,0|3,0,0]=4 5244 B13R0.147 CNC(=O)CSCCCCCCCO 62a_100000760002_100000183359 [0,1,0,0,0,0|3,0,0]=4 5245 B13R0.147 CNC(=O)CSCCCCCCOC 62a_100000183359_100011998445 [0,1,0,0,0,0|3,0,0]=4 5246 B13R0.147 CNC(=O)CSCCCCCCOC 62a_100011998445_100000183359 [0,1,0,0,0,0|3,0,0]=4 5247 B13R0.147 CNC(=O)NCCCCCCCCO 2708a_100102657272_102515433106 [0,1,0,0,0,0|3,0,0]=4 5248 B13R0.147 CNC(=O)NCCCCCCCCO 2708a_102515433106_106832991635 [0,1,0,0,0,0|3,0,0]=4 5249 B13R0.147 CNC(=O)NCCCCCCCCO 273464a_100102657272_102515433106 [0,1,0,0,0,0|3,0,0]=4 5250 B13R0.147 CNC(=O)NCCCCCCCCO 273464a_102515433106_100102657272 [0,1,0,0,0,0|3,0,0]=4 5251 B13R0.147 CNC(=O)NCCCCCCCCO 512a_102515433106_100102657272 [0,1,0,0,0,0|3,0,0]=4 5252 B13R0.147 CNC(=O)NCCCCCCCCO 512a_106832991638_102515433106 [0,1,0,0,0,0|3,0,0]=4 5253 B13R0.147 CNCCCCCCCCC(=O)OC 2230a_106832991635_100010282707 [0,1,0,0,0,0|1,0,0]=2 5254 B13R0.147 CNCCCCCCCCC(=O)OC 34a_100102657272_100010282707 [0,1,0,0,0,0|1,0,0]=2 5255 B13R0.147 CNCCCCCCCCC(=O)OC 7a_106832991635_100010282707 [0,1,0,0,0,0|1,0,0]=2 5256 B13R0.147 CNCCCCCOCCC(=O)NC 34a_100000722520_100012179268 [0,1,0,0,0,0|3,0,0]=4 5257 B13R0.147 CNCCCCCOCCC(=O)OC 34a_100000722520_100000742370 [0,1,0,0,0,0|2,0,0]=3 5258 B13R0.147 CNCCCOCCCCC(=O)OC 34a_100000213112_100000204269 [0,1,0,0,0,0|2,0,0]=3 5259 B13R0.147 CNCCCOCCOCC(=O)OC 34a_100000213112_100000090808 [0,1,0,0,0,0|3,0,0]=4 5260 B13R0.147 CNCCOCCOCCC(=O)OC 34a_100000228057_100000742370 [0,1,0,0,0,0|3,0,0]=4 5261 B13R0.147 COC(=O)CCCCCCCCO[13CH3] 34a_100000035544_200025704644 [0,1,0,0,0,0|1,0,0]=2 5262 B13R0.147 COC(=O)CCCCCCCCO[13CH3] 7a_100000035544_200025704644 [0,1,0,0,0,0|1,0,0]=2 5263 B13R0.147 COC(=O)CCCCCCCCSC 62a_100010282707_200000210301 [0,1,0,0,0,0|1,0,0]=2 5264 B13R0.147 COC(=O)CCCCCCCCSC 62a_200000210301_100010282707 [0,1,0,0,0,0|1,0,0]=2 5265 B13R0.147 COC(=O)CCCCCCCCS[13CH3] 62a_100010282707_200025704644 [0,1,0,0,0,0|1,0,0]=2 5266 B13R0.147 COC(=O)CCCCCCCCS[13CH3] 62a_200025704644_100010282707 [0,1,0,0,0,0|1,0,0]=2 5267 B13R0.147 COC(=O)CCCCCCCOCF 34a_100011022521_100015361967 [0,1,0,0,0,0|2,0,0]=3 5268 B13R0.147 COC(=O)CCCCCCCOCF 7a_100011022521_100015361967 [0,1,0,0,0,0|2,0,0]=3 5269 B13R0.147 COC(=O)CCCCCCCSCF 62a_100010004213_100015361967 [0,1,0,0,0,0|2,0,0]=3 5270 B13R0.147 COC(=O)CCCCCCCSCF 62a_100015361967_100010004213 [0,1,0,0,0,0|2,0,0]=3 5271 B13R0.147 COC(=O)CCCCCCNCCF 34a_100000724931_100009815986 [0,1,0,0,0,0|2,0,0]=3 5272 B13R0.147 COC(=O)CCCCCCNCCO 2230a_100016997473_100009815986 [0,1,0,0,0,0|2,0,0]=3 5273 B13R0.147 COC(=O)CCCCCCNCCO 34a_100016990907_100009815986 [0,1,0,0,0,0|2,0,0]=3 5274 B13R0.147 COC(=O)CCCCCCOCC#N 7a_100009863599_100011215382 [0,1,0,0,0,0|2,0,1]=4 5275 B13R0.147 COC(=O)CCCCCCOCC=O 34a_100009863599_200009817547 [0,1,0,0,0,0|2,0,1]=4 5276 B13R0.147 COC(=O)CCCCCCOCC=O 7a_100009863599_200015260668 [0,1,0,0,0,0|2,0,1]=4 5277 B13R0.147 COC(=O)CCCCCCOCCBr 34a_100000211926_100009815986 [0,1,0,0,0,0|2,0,0]=3 5278 B13R0.147 COC(=O)CCCCCCOCCF 34a_100009863599_100011217306 [0,1,0,0,0,0|2,0,0]=3 5279 B13R0.147 COC(=O)CCCCCCOCCF 7a_100009863599_100011217306 [0,1,0,0,0,0|2,0,0]=3 5280 B13R0.147 COC(=O)CCCCCCOCCN 34a_100000210304_100009815986 [0,1,0,0,0,0|2,0,0]=3 5281 B13R0.147 COC(=O)CCCCCCOCCO 34a_100009863599_100000211926 [0,1,0,0,0,0|2,0,0]=3 5282 B13R0.147 COC(=O)CCCCCCOCCO 7a_100009863599_100000211926 [0,1,0,0,0,0|2,0,0]=3 5283 B13R0.147 COC(=O)CCCCCCOCSC 34a_100009863599_100011218213 [0,1,0,0,0,0|2,0,0]=3 5284 B13R0.147 COC(=O)CCCCCCSCC#N 62a_100009815986_100011215382 [0,1,0,0,0,0|2,0,1]=4 5285 B13R0.147 COC(=O)CCCCCCSCC#N 62a_100011215382_100009815986 [0,1,0,0,0,0|2,0,1]=4 5286 B13R0.147 COC(=O)CCCCCCSCC=O 62a_100009815986_200015260668 [0,1,0,0,0,0|2,0,1]=4 5287 B13R0.147 COC(=O)CCCCCCSCC=O 62a_200015260668_100009815986 [0,1,0,0,0,0|2,0,1]=4 5288 B13R0.147 COC(=O)CCCCCCSCCF 62a_100009815986_100011217306 [0,1,0,0,0,0|2,0,0]=3 5289 B13R0.147 COC(=O)CCCCCCSCCF 62a_100011217306_100009815986 [0,1,0,0,0,0|2,0,0]=3 5290 B13R0.147 COC(=O)CCCCCCSCCO 62a_100000211926_100009815986 [0,1,0,0,0,0|2,0,0]=3 5291 B13R0.147 COC(=O)CCCCCCSCCO 62a_100009815986_100000211926 [0,1,0,0,0,0|2,0,0]=3 5292 B13R0.147 COC(=O)CCCCCCSCSC 62a_100009815986_100011218213 [0,1,0,0,0,0|2,0,0]=3 5293 B13R0.147 COC(=O)CCCCCCSCSC 62a_100011218213_100009815986 [0,1,0,0,0,0|2,0,0]=3 5294 B13R0.147 COC(=O)CCCCCNCCCF 2230a_100015189416_100009816466 [0,1,0,0,0,0|2,0,0]=3 5295 B13R0.147 COC(=O)CCCCCNCCCF 34a_100015189416_100009816466 [0,1,0,0,0,0|2,0,0]=3 5296 B13R0.147 COC(=O)CCCCCNCCSC 2230a_100020590264_100009816466 [0,1,0,0,0,0|2,0,0]=3 5297 B13R0.147 COC(=O)CCCCCOCCC#N 7a_100000074720_100000184422 [0,1,0,0,0,0|2,0,1]=4 5298 B13R0.147 COC(=O)CCCCCOCCCBr 34a_100011217188_100009816466 [0,1,0,0,0,0|2,0,0]=3 5299 B13R0.147 COC(=O)CCCCCOCCCCl 34a_100000230001_100009816466 [0,1,0,0,0,0|2,0,0]=3 5300 B13R0.147 COC(=O)CCCCCOCCCF 34a_100000074720_100011934791 [0,1,0,0,0,0|2,0,0]=3 5301 B13R0.147 COC(=O)CCCCCOCCCF 34a_100000759539_100009816466 [0,1,0,0,0,0|2,0,0]=3 5302 B13R0.147 COC(=O)CCCCCOCCCF 7a_100000074720_100011934791 [0,1,0,0,0,0|2,0,0]=3 5303 B13R0.147 COC(=O)CCCCCOCCCN 34a_100000182051_100009816466 [0,1,0,0,0,0|2,0,0]=3 5304 B13R0.147 COC(=O)CCCCCOCCCO 34a_100000074720_100000230001 [0,1,0,0,0,0|2,0,0]=3 5305 B13R0.147 COC(=O)CCCCCOCCCO 7a_100000074720_100011215043 [0,1,0,0,0,0|2,0,0]=3 5306 B13R0.147 COC(=O)CCCCCOCCON 34a_100000700252_100009816466 [0,1,0,0,0,0|3,0,0]=4 5307 B13R0.147 COC(=O)CCCCCOCCSC 34a_100000074720_100000212216 [0,1,0,0,0,0|2,0,0]=3 5308 B13R0.147 COC(=O)CCCCCOCCSC 34a_100000230434_100009816466 [0,1,0,0,0,0|2,0,0]=3 5309 B13R0.147 COC(=O)CCCCCOCCSC 7a_100000074720_100000212216 [0,1,0,0,0,0|2,0,0]=3 5310 B13R0.147 COC(=O)CCCCCOCCSC 7a_100000230434_100009816466 [0,1,0,0,0,0|2,0,0]=3 5311 B13R0.147 COC(=O)CCCCCSCCC#N 62a_100009816466_100011215226 [0,1,0,0,0,0|2,0,1]=4 5312 B13R0.147 COC(=O)CCCCCSCCC#N 62a_100011215226_100009816466 [0,1,0,0,0,0|2,0,1]=4 5313 B13R0.147 COC(=O)CCCCCSCCCF 62a_100009816466_100011934791 [0,1,0,0,0,0|2,0,0]=3 5314 B13R0.147 COC(=O)CCCCCSCCCF 62a_100011934791_100009816466 [0,1,0,0,0,0|2,0,0]=3 5315 B13R0.147 COC(=O)CCCCCSCCCO 62a_100009816466_100011215043 [0,1,0,0,0,0|2,0,0]=3 5316 B13R0.147 COC(=O)CCCCCSCCCO 62a_100011215043_100009816466 [0,1,0,0,0,0|2,0,0]=3 5317 B13R0.147 COC(=O)CCCCCSCCSC 62a_100000212216_100009816466 [0,1,0,0,0,0|2,0,0]=3 5318 B13R0.147 COC(=O)CCCCCSCCSC 62a_100009816466_100000751147 [0,1,0,0,0,0|2,0,0]=3 5319 B13R0.147 COC(=O)CCCCNCCCCO 2230a_100000750430_100000204269 [0,1,0,0,0,0|2,0,0]=3 5320 B13R0.147 COC(=O)CCCCNCCCCO 34a_100000750430_100000204269 [0,1,0,0,0,0|2,0,0]=3 5321 B13R0.147 COC(=O)CCCCNCCCSC 2230a_100000749238_100000204269 [0,1,0,0,0,0|2,0,0]=3 5322 B13R0.147 COC(=O)CCCCOCCCC#N 7a_100000059025_100000687738 [0,1,0,0,0,0|2,0,1]=4 5323 B13R0.147 COC(=O)CCCCOCCCC=O 7a_100000059025_200011292268 [0,1,0,0,0,0|2,0,1]=4 5324 B13R0.147 COC(=O)CCCCOCCCCBr 34a_100011216708_100000204269 [0,1,0,0,0,0|2,0,0]=3 5325 B13R0.147 COC(=O)CCCCOCCCCCl 34a_100000210776_100000204269 [0,1,0,0,0,0|2,0,0]=3 5326 B13R0.147 COC(=O)CCCCOCCCCCl 7a_100000210776_100000204269 [0,1,0,0,0,0|2,0,0]=3 5327 B13R0.147 COC(=O)CCCCOCCCCF 34a_100000059025_100000729493 [0,1,0,0,0,0|2,0,0]=3 5328 B13R0.147 COC(=O)CCCCOCCCCF 34a_100011995726_100000204269 [0,1,0,0,0,0|2,0,0]=3 5329 B13R0.147 COC(=O)CCCCOCCCCF 7a_100000059025_100000729493 [0,1,0,0,0,0|2,0,0]=3 5330 B13R0.147 COC(=O)CCCCOCCCCF 7a_100011995726_100000204269 [0,1,0,0,0,0|2,0,0]=3 5331 B13R0.147 COC(=O)CCCCOCCCCI 34a_200012148704_100000204269 [0,1,0,0,0,0|2,0,0]=3 5332 B13R0.147 COC(=O)CCCCOCCCCN 34a_100000750430_100000204269 [0,1,0,0,0,0|2,0,0]=3 5333 B13R0.147 COC(=O)CCCCOCCCCO 34a_100000059025_100011216708 [0,1,0,0,0,0|2,0,0]=3 5334 B13R0.147 COC(=O)CCCCOCCCCO 7a_100000059025_100000210776 [0,1,0,0,0,0|2,0,0]=3 5335 B13R0.147 COC(=O)CCCCOCCCSC 34a_100000690336_100000204269 [0,1,0,0,0,0|2,0,0]=3 5336 B13R0.147 COC(=O)CCCCOCCCSC 7a_100000690336_100000204269 [0,1,0,0,0,0|2,0,0]=3 5337 B13R0.147 COC(=O)CCCCSCCCC#N 62a_100000204269_100000687738 [0,1,0,0,0,0|2,0,1]=4 5338 B13R0.147 COC(=O)CCCCSCCCC#N 62a_100000687738_100000204269 [0,1,0,0,0,0|2,0,1]=4 5339 B13R0.147 COC(=O)CCCCSCCCC=O 62a_100000204269_200011292268 [0,1,0,0,0,0|2,0,1]=4 5340 B13R0.147 COC(=O)CCCCSCCCC=O 62a_200011292268_100000204269 [0,1,0,0,0,0|2,0,1]=4 5341 B13R0.147 COC(=O)CCCCSCCCCF 62a_100000204269_100000729493 [0,1,0,0,0,0|2,0,0]=3 5342 B13R0.147 COC(=O)CCCCSCCCCF 62a_100000729493_100000204269 [0,1,0,0,0,0|2,0,0]=3 5343 B13R0.147 COC(=O)CCCCSCCCCO 62a_100000204269_100000210776 [0,1,0,0,0,0|2,0,0]=3 5344 B13R0.147 COC(=O)CCCCSCCCCO 62a_100000210776_100000204269 [0,1,0,0,0,0|2,0,0]=3 5345 B13R0.147 COC(=O)CCCNCCCCCO 2230a_100000762737_100011218270 [0,1,0,0,0,0|2,0,0]=3 5346 B13R0.147 COC(=O)CCCNCCCCCO 34a_100000762737_100000742333 [0,1,0,0,0,0|2,0,0]=3 5347 B13R0.147 COC(=O)CCCNCCOCCO 2230a_100000211614_100011218270 [0,1,0,0,0,0|3,0,0]=4 5348 B13R0.147 COC(=O)CCCNCCOCCO 34a_100000211614_100000742333 [0,1,0,0,0,0|3,0,0]=4 5349 B13R0.147 COC(=O)CCCNCCSCCO 2230a_100011219999_100011218270 [0,1,0,0,0,0|3,0,0]=4 5350 B13R0.147 COC(=O)CCCOCCCCCBr 34a_100000746331_100000742333 [0,1,0,0,0,0|2,0,0]=3 5351 B13R0.147 COC(=O)CCCOCCCCCBr 7a_100000746331_100011218270 [0,1,0,0,0,0|2,0,0]=3 5352 B13R0.147 COC(=O)CCCOCCCCCCl 34a_100000746330_100000742333 [0,1,0,0,0,0|2,0,0]=3 5353 B13R0.147 COC(=O)CCCOCCCCCCl 7a_100000746330_100011218270 [0,1,0,0,0,0|2,0,0]=3 5354 B13R0.147 COC(=O)CCCOCCCCCI 34a_200012148887_100000742333 [0,1,0,0,0,0|2,0,0]=3 5355 B13R0.147 COC(=O)CCCOCCCCCI 7a_200012148887_100011218270 [0,1,0,0,0,0|2,0,0]=3 5356 B13R0.147 COC(=O)CCCOCCCCCN 34a_100000762737_100000742333 [0,1,0,0,0,0|2,0,0]=3 5357 B13R0.147 COC(=O)CCCOCCCCSC 34a_100011217163_100000742333 [0,1,0,0,0,0|2,0,0]=3 5358 B13R0.147 COC(=O)CCCOCCCCSC 7a_100011217163_100011218270 [0,1,0,0,0,0|2,0,0]=3 5359 B13R0.147 COC(=O)CCCOCCOCCBr 34a_100000692535_100000742333 [0,1,0,0,0,0|3,0,0]=4 5360 B13R0.147 COC(=O)CCCOCCOCCBr 7a_100000692535_100011218270 [0,1,0,0,0,0|3,0,0]=4 5361 B13R0.147 COC(=O)CCCOCCOCCCl 34a_100011215305_100000742333 [0,1,0,0,0,0|3,0,0]=4 5362 B13R0.147 COC(=O)CCCOCCOCCCl 7a_100011215305_100011218270 [0,1,0,0,0,0|3,0,0]=4 5363 B13R0.147 COC(=O)CCCOCCOCCF 34a_200015357709_100000742333 [0,1,0,0,0,0|3,0,0]=4 5364 B13R0.147 COC(=O)CCCOCCOCCF 7a_200015357709_100011218270 [0,1,0,0,0,0|3,0,0]=4 5365 B13R0.147 COC(=O)CCCOCCOCCI 34a_100012149058_100000742333 [0,1,0,0,0,0|3,0,0]=4 5366 B13R0.147 COC(=O)CCCOCCOCCI 7a_100012149058_100011218270 [0,1,0,0,0,0|3,0,0]=4 5367 B13R0.147 COC(=O)CCCOCCOCCN 34a_100000211614_100000742333 [0,1,0,0,0,0|3,0,0]=4 5368 B13R0.147 COC(=O)CCCSCCCCC#N 62a_100011218270_100000211819 [0,1,0,0,0,0|2,0,1]=4 5369 B13R0.147 COC(=O)CCCSCCCCC#N 62a_100011219923_100011218270 [0,1,0,0,0,0|2,0,1]=4 5370 B13R0.147 COC(=O)CCCSCCCCC=O 62a_100000139335_100011218270 [0,1,0,0,0,0|2,0,1]=4 5371 B13R0.147 COC(=O)CCCSCCCCC=O 62a_100011218270_100000139335 [0,1,0,0,0,0|2,0,1]=4 5372 B13R0.147 COC(=O)CCCSCCCCCF 62a_100000729378_100011218270 [0,1,0,0,0,0|2,0,0]=3 5373 B13R0.147 COC(=O)CCCSCCCCCF 62a_100011218270_100000729378 [0,1,0,0,0,0|2,0,0]=3 5374 B13R0.147 COC(=O)CCCSCCCCCO 62a_100000746330_100011218270 [0,1,0,0,0,0|2,0,0]=3 5375 B13R0.147 COC(=O)CCCSCCCCCO 62a_100011218270_100000746330 [0,1,0,0,0,0|2,0,0]=3 5376 B13R0.147 COC(=O)CCCSCCOCCO 62a_100011215305_100011218270 [0,1,0,0,0,0|3,0,0]=4 5377 B13R0.147 COC(=O)CCCSCCOCCO 62a_100011218270_100011215305 [0,1,0,0,0,0|3,0,0]=4 5378 B13R0.147 COC(=O)CCNCCCCCCO 2230a_100000686447_100000204255 [0,1,0,0,0,0|2,0,0]=3 5379 B13R0.147 COC(=O)CCNCCCCCCO 34a_100000686447_100000742370 [0,1,0,0,0,0|2,0,0]=3 5380 B13R0.147 COC(=O)CCOCCCCCCBr 34a_100011215345_100000742370 [0,1,0,0,0,0|2,0,0]=3 5381 B13R0.147 COC(=O)CCOCCCCCCBr 7a_100011215345_100000204255 [0,1,0,0,0,0|2,0,0]=3 5382 B13R0.147 COC(=O)CCOCCCCCCCl 34a_100000766143_100000742370 [0,1,0,0,0,0|2,0,0]=3 5383 B13R0.147 COC(=O)CCOCCCCCCCl 7a_100000766143_100000204255 [0,1,0,0,0,0|2,0,0]=3 5384 B13R0.147 COC(=O)CCOCCCCCCF 34a_100000732779_100000742370 [0,1,0,0,0,0|2,0,0]=3 5385 B13R0.147 COC(=O)CCOCCCCCCF 7a_100000732779_100000204255 [0,1,0,0,0,0|2,0,0]=3 5386 B13R0.147 COC(=O)CCOCCCCCCN 34a_100000686447_100000742370 [0,1,0,0,0,0|2,0,0]=3 5387 B13R0.147 COC(=O)CCOCCOCCO[13CH3] 34a_100010982084_200025704644 [0,1,0,0,0,0|3,0,0]=4 5388 B13R0.147 COC(=O)CCOCCOCCO[13CH3] 7a_100010982084_200025704644 [0,1,0,0,0,0|3,0,0]=4 5389 B13R0.147 COC(=O)CCSCCCCCC#N 62a_100000204255_100009813376 [0,1,0,0,0,0|2,0,1]=4 5390 B13R0.147 COC(=O)CCSCCCCCC#N 62a_100009813376_100000204255 [0,1,0,0,0,0|2,0,1]=4 5391 B13R0.147 COC(=O)CCSCCCCCC=O 62a_100000139337_100000204255 [0,1,0,0,0,0|2,0,1]=4 5392 B13R0.147 COC(=O)CCSCCCCCC=O 62a_100000204255_100000139337 [0,1,0,0,0,0|2,0,1]=4 5393 B13R0.147 COC(=O)CCSCCCCCCF 62a_100000204255_100015922095 [0,1,0,0,0,0|2,0,0]=3 5394 B13R0.147 COC(=O)CCSCCCCCCF 62a_100015922095_100000204255 [0,1,0,0,0,0|2,0,0]=3 5395 B13R0.147 COC(=O)CCSCCCCCCO 62a_100000204255_100000766143 [0,1,0,0,0,0|2,0,0]=3 5396 B13R0.147 COC(=O)CCSCCCCCCO 62a_100000766143_100000204255 [0,1,0,0,0,0|2,0,0]=3 5397 B13R0.147 COC(=O)CNCCCCCCCO 2230a_100011996573_100000747449 [0,1,0,0,0,0|2,0,0]=3 5398 B13R0.147 COC(=O)CNCCCCCCCO 34a_100011996573_100000747449 [0,1,0,0,0,0|2,0,0]=3 5399 B13R0.147 COC(=O)CNCCCOCCCO 2230a_100011310245_100000747449 [0,1,0,0,0,0|3,0,0]=4 5400 B13R0.147 COC(=O)CNCCCOCCCO 34a_100011310245_100000747449 [0,1,0,0,0,0|3,0,0]=4 5401 B13R0.147 COC(=O)COCCCCCCCBr 34a_100000760002_100000747449 [0,1,0,0,0,0|2,0,0]=3 5402 B13R0.147 COC(=O)COCCCCCCCBr 7a_100000760002_100000747449 [0,1,0,0,0,0|2,0,0]=3 5403 B13R0.147 COC(=O)COCCCCCCCN 34a_100011996573_100000747449 [0,1,0,0,0,0|2,0,0]=3 5404 B13R0.147 COC(=O)COCCCOCCCN 34a_100011310245_100000747449 [0,1,0,0,0,0|3,0,0]=4 5405 B13R0.147 COC(=O)COCCNCCCCO 2230a_100000750430_100000090808 [0,1,0,0,0,0|3,0,0]=4 5406 B13R0.147 COC(=O)COCCNCCCCO 34a_100000750430_100000090808 [0,1,0,0,0,0|3,0,0]=4 5407 B13R0.147 COC(=O)COCCNCCCSC 2230a_100000749238_100000090808 [0,1,0,0,0,0|3,0,0]=4 5408 B13R0.147 COC(=O)COCCOCCCCBr 34a_100011216708_100000090808 [0,1,0,0,0,0|3,0,0]=4 5409 B13R0.147 COC(=O)COCCOCCCCCl 34a_100000210776_100000090808 [0,1,0,0,0,0|3,0,0]=4 5410 B13R0.147 COC(=O)COCCOCCCCCl 7a_100000210776_100000090808 [0,1,0,0,0,0|3,0,0]=4 5411 B13R0.147 COC(=O)COCCOCCCCF 34a_100011995726_100000090808 [0,1,0,0,0,0|3,0,0]=4 5412 B13R0.147 COC(=O)COCCOCCCCF 7a_100011995726_100000090808 [0,1,0,0,0,0|3,0,0]=4 5413 B13R0.147 COC(=O)COCCOCCCCI 34a_200012148704_100000090808 [0,1,0,0,0,0|3,0,0]=4 5414 B13R0.147 COC(=O)COCCOCCCCN 34a_100000750430_100000090808 [0,1,0,0,0,0|3,0,0]=4 5415 B13R0.147 COC(=O)COCCOCCCSC 34a_100000690336_100000090808 [0,1,0,0,0,0|3,0,0]=4 5416 B13R0.147 COC(=O)COCCOCCCSC 7a_100000690336_100000090808 [0,1,0,0,0,0|3,0,0]=4 5417 B13R0.147 COC(=O)COCCSCCCCF 62a_100000090808_100000729493 [0,1,0,0,0,0|3,0,0]=4 5418 B13R0.147 COC(=O)COCCSCCCCF 62a_100000729493_100000090808 [0,1,0,0,0,0|3,0,0]=4 5419 B13R0.147 COC(=O)COCCSCCCCO 62a_100000090808_100000210776 [0,1,0,0,0,0|3,0,0]=4 5420 B13R0.147 COC(=O)COCCSCCCCO 62a_100000210776_100000090808 [0,1,0,0,0,0|3,0,0]=4 5421 B13R0.147 COC(=O)CSCCCCCCC#N 62a_100000747449_100009813337 [0,1,0,0,0,0|2,0,1]=4 5422 B13R0.147 COC(=O)CSCCCCCCC#N 62a_100009813337_100000747449 [0,1,0,0,0,0|2,0,1]=4 5423 B13R0.147 COC(=O)CSCCCCCCCO 62a_100000747449_100000760002 [0,1,0,0,0,0|2,0,0]=3 5424 B13R0.147 COC(=O)CSCCCCCCCO 62a_100000760002_100000747449 [0,1,0,0,0,0|2,0,0]=3 5425 B13R0.147 COC(=O)NCCOCCCCCF 34a_100000757965_100000729378 [0,1,0,0,0,0|3,0,0]=4 5426 B13R0.147 COC(=O)NCCOCCCCCO 34a_100000757965_100000746330 [0,1,0,0,0,0|3,0,0]=4 5427 B13R0.147 COC(=O)OCCOCCCCCF 34a_100010262106_100000729378 [0,1,0,0,0,0|3,0,0]=4 5428 B13R0.147 COC(=O)OCCOCCCCCO 34a_100010262106_100000746330 [0,1,0,0,0,0|3,0,0]=4 5429 B13R0.147 COC(=O)OCSCCCCCCF 62a_100015922095_100000139417 [0,1,0,0,0,0|3,0,0]=4 5430 B13R0.147 COC(=O)OCSCCCCCCO 62a_100000766143_100000139417 [0,1,0,0,0,0|3,0,0]=4 5431 B13R0.147 COCCCCCCCCC(=O)OC 34a_100000035544_200000210301 [0,1,0,0,0,0|1,0,0]=2 5432 B13R0.147 COCCCCCCCCC(=O)OC 34a_100138415774_100010282707 [0,1,0,0,0,0|1,0,0]=2 5433 B13R0.147 COCCCCCCCCC(=O)OC 7a_100000035544_200000210301 [0,1,0,0,0,0|1,0,0]=2 5434 B13R0.147 COCCCCCCOCC(=O)OC 34a_200012092642_100000747449 [0,1,0,0,0,0|2,0,0]=3 5435 B13R0.147 COCCCCCCOCC(=O)OC 7a_200012092642_100000747449 [0,1,0,0,0,0|2,0,0]=3 5436 B13R0.147 COCCCCCCSCC(=O)OC 62a_100000747449_100011998445 [0,1,0,0,0,0|2,0,0]=3 5437 B13R0.147 COCCCCCCSCC(=O)OC 62a_100011998445_100000747449 [0,1,0,0,0,0|2,0,0]=3 5438 B13R0.147 COCCCCCNCCC(=O)OC 2230a_100000747528_100000204255 [0,1,0,0,0,0|2,0,0]=3 5439 B13R0.147 COCCCCCNCCC(=O)OC 34a_100000747528_100000742370 [0,1,0,0,0,0|2,0,0]=3 5440 B13R0.147 COCCCCOCCCC(=O)NN 34a_100000211488_100000755781 [0,1,0,0,0,0|3,0,0]=4 5441 B13R0.147 COCCCCOCCCC(=O)OC 34a_100000740925_100000742333 [0,1,0,0,0,0|2,0,0]=3 5442 B13R0.147 COCCCCOCCNC(=O)OC 34a_100000757965_100000755781 [0,1,0,0,0,0|3,0,0]=4 5443 B13R0.147 COCCCCOCCOC(=O)OC 34a_100010262106_100000755781 [0,1,0,0,0,0|3,0,0]=4 5444 B13R0.147 COCCCCSCCCC(=O)OC 62a_100000730899_100011218270 [0,1,0,0,0,0|2,0,0]=3 5445 B13R0.147 COCCCCSCCCC(=O)OC 62a_100011218270_100000730899 [0,1,0,0,0,0|2,0,0]=3 5446 B13R0.147 COCCCNCCCCC(=O)OC 34a_100150723488_100000204269 [0,1,0,0,0,0|2,0,0]=3 5447 B13R0.147 COCCCNCCOCC(=O)OC 34a_100150723488_100000090808 [0,1,0,0,0,0|3,0,0]=4 5448 B13R0.147 COCCCOCCCCC(=O)OC 34a_100000059025_100000740836 [0,1,0,0,0,0|2,0,0]=3 5449 B13R0.147 COCCCOCCCCC(=O)OC 34a_100000740835_100000204269 [0,1,0,0,0,0|2,0,0]=3 5450 B13R0.147 COCCCOCCCCC(=O)OC 7a_100000059025_100000740836 [0,1,0,0,0,0|2,0,0]=3 5451 B13R0.147 COCCCOCCOCC(=O)OC 34a_100000740835_100000090808 [0,1,0,0,0,0|3,0,0]=4 5452 B13R0.147 COCCCSCCCCC(=O)OC 62a_100000204269_100000709357 [0,1,0,0,0,0|2,0,0]=3 5453 B13R0.147 COCCCSCCCCC(=O)OC 62a_100000709357_100000204269 [0,1,0,0,0,0|2,0,0]=3 5454 B13R0.147 COCCCSCCOCC(=O)OC 62a_100000090808_100000709357 [0,1,0,0,0,0|3,0,0]=4 5455 B13R0.147 COCCCSCCOCC(=O)OC 62a_100000709357_100000090808 [0,1,0,0,0,0|3,0,0]=4 5456 B13R0.147 COCCNCCCCCC(=O)OC 2230a_100000209980_100009816466 [0,1,0,0,0,0|2,0,0]=3 5457 B13R0.147 COCCOCCCCCC(=O)OC 34a_100000074720_100011201679 [0,1,0,0,0,0|2,0,0]=3 5458 B13R0.147 COCCOCCCCCC(=O)OC 34a_100000210237_100009816466 [0,1,0,0,0,0|2,0,0]=3 5459 B13R0.147 COCCOCCCCCC(=O)OC 7a_100000074720_100000233755 [0,1,0,0,0,0|2,0,0]=3 5460 B13R0.147 COCCOCCCNCC(=O)OC 2230a_100000206027_100000747449 [0,1,0,0,0,0|3,0,0]=4 5461 B13R0.147 COCCOCCCNCC(=O)OC 34a_100000206027_100000747449 [0,1,0,0,0,0|3,0,0]=4 5462 B13R0.147 COCCOCCCSCC(=O)OC 62a_100000747449_100011216529 [0,1,0,0,0,0|3,0,0]=4 5463 B13R0.147 COCCOCCCSCC(=O)OC 62a_100011216529_100000747449 [0,1,0,0,0,0|3,0,0]=4 5464 B13R0.147 COCCOCCNCCC(=O)OC 2230a_100000745349_100000204255 [0,1,0,0,0,0|3,0,0]=4 5465 B13R0.147 COCCOCCNCCC(=O)OC 34a_100000745349_100000742370 [0,1,0,0,0,0|3,0,0]=4 5466 B13R0.147 COCCOCCOCCC(=O)CO 1458a_100000210174_100013367474 [0,1,0,0,0,0|3,0,0]=4 5467 B13R0.147 COCCOCCOCCC(=O)OC 34a_100010982084_200000210301 [0,1,0,0,0,0|3,0,0]=4 5468 B13R0.147 COCCOCCOCCC(=O)OC 34a_100011215163_100000742370 [0,1,0,0,0,0|3,0,0]=4 5469 B13R0.147 COCCOCCOCCC(=O)OC 7a_100010982084_200000210301 [0,1,0,0,0,0|3,0,0]=4 5470 B13R0.147 COCCOCCOCCC(=O)OC 7a_100011215163_100000204255 [0,1,0,0,0,0|3,0,0]=4 5471 B13R0.147 COCCOCCSCCC(=O)OC 62a_100000204255_100000695917 [0,1,0,0,0,0|3,0,0]=4 5472 B13R0.147 COCCOCCSCCC(=O)OC 62a_100000695917_100000204255 [0,1,0,0,0,0|3,0,0]=4 5473 B13R0.147 COCCOCSCCCC(=O)OC 62a_100000231047_100011218270 [0,1,0,0,0,0|3,0,0]=4 5474 B13R0.147 COCCOCSCCCC(=O)OC 62a_100011218270_100000231047 [0,1,0,0,0,0|3,0,0]=4 5475 B13R0.147 COCCSCCCCCC(=O)OC 62a_100000233755_100009816466 [0,1,0,0,0,0|2,0,0]=3 5476 B13R0.147 COCCSCCCCCC(=O)OC 62a_100009816466_100000233755 [0,1,0,0,0,0|2,0,0]=3 5477 B13R0.147 COCSCCCCCCC(=O)OC 62a_100000766300_100009815986 [0,1,0,0,0,0|2,0,0]=3 5478 B13R0.147 COCSCCCCCCC(=O)OC 62a_100009815986_100000766300 [0,1,0,0,0,0|2,0,0]=3 5479 B13R0.147 NC(=NO)CCOCCCCCCF 34a_100000749954_100015922095 [0,1,0,0,0,0|3,0,0]=4 5480 B13R0.147 NC(=NO)CCOCCCCCCO 34a_100000749954_100000766143 [0,1,0,0,0,0|3,0,0]=4 5481 B13R0.147 NNC(=O)CCCOCCCCCF 34a_100000211488_100000729378 [0,1,0,0,0,0|3,0,0]=4 5482 B13R0.147 NNC(=O)CCCOCCCCCO 34a_100000211488_100000746330 [0,1,0,0,0,0|3,0,0]=4 5483 B13R0.147 O=C(CF)CCCCCCCCCF 1458a_200009909015_100015361967 [0,1,0,0,0,0|2,0,0]=3 5484 B13R0.147 O=C(CO)CCCCCCCCCO 1458a_100000210174_100009813782 [0,1,0,0,0,0|1,0,0]=2 5485 B13R0.147 O=C(CO)NCCCCCCCCO 240690a_102515433106_100000210174 [0,1,0,0,0,0|2,0,0]=3 5486 B13R0.150 C#CCCCCCCN[C@@H](C)C(=O)O 269956a_100000743915_100012276617 [0,1,0,0,0,0|1,0,2]=4 5487 B13R0.150 C#CCCCCCNCC(C)C(=O)O 269956a_100000749485_100012094781 [0,1,0,0,0,0|1,0,2]=4 5488 B13R0.150 C#CCCCCCNCC(F)C(=O)O 269956a_100000084737_100012094781 [0,1,0,0,0,0|1,0,2]=4 5489 B13R0.150 C=C(C)C(=O)CCCCCCCCC 1458a_100000185857_100000210670 [0,1,0,0,0,0|2,0,1]=4 5490 B13R0.150 C=C(C)C(C)NCCCCCCCC 269862a_100000229939_100011216138 [0,1,0,0,0,0|3,0,0]=4 5491 B13R0.150 C=CCCCCCCN[C@@H](C)C(=O)O 269956a_100000743915_100011215473 [0,1,0,0,0,0|1,0,2]=4 5492 B13R0.150 C=CCCCCCNCC(C)C(=O)O 269956a_100000749485_100000700193 [0,1,0,0,0,0|1,0,2]=4 5493 B13R0.150 C=CCCCCCNCC(F)C(=O)O 269956a_100000084737_100000700193 [0,1,0,0,0,0|1,0,2]=4 5494 B13R0.150 CC(=O)C(C)COCCCCCCF 34a_100000032740_100015922095 [0,1,0,0,0,0|3,0,0]=4 5495 B13R0.150 CC(=O)C(C)COCCCCCCF 7a_100000032740_100015922095 [0,1,0,0,0,0|3,0,0]=4 5496 B13R0.150 CC(=O)C(C)COCCCCCCO 34a_100000032740_100000766143 [0,1,0,0,0,0|3,0,0]=4 5497 B13R0.150 CC(=O)C(C)COCCCCCCO 7a_100000032740_100000766143 [0,1,0,0,0,0|3,0,0]=4 5498 B13R0.150 CC(=O)C(C)NCCCCCCCO 2230a_100011996573_100009814033 [0,1,0,0,0,0|3,0,0]=4 5499 B13R0.150 CC(=O)C(C)OCCCCCCCBr 7a_100000760002_100000179758 [0,1,0,0,0,0|3,0,0]=4 5500 B13R0.150 CC(=O)C(C)OCCCCCCCO 34a_100000212229_100000760002 [0,1,0,0,0,0|3,0,0]=4 5501 B13R0.150 CC(=O)C(C)SCCCCCCCO 62a_100000760002_100009814033 [0,1,0,0,0,0|3,0,0]=4 5502 B13R0.150 CC(=O)C(C)SCCCCCCCO 62a_100009814033_100000760002 [0,1,0,0,0,0|3,0,0]=4 5503 B13R0.150 CC(CNCCCCCC#N)C(=O)O 269956a_100000749485_100009813376 [0,1,0,0,0,0|2,0,1]=4 5504 B13R0.150 CC(CNCCCCCC=O)C(=O)O 269956a_100000749485_100000139337 [0,1,0,0,0,0|2,0,1]=4 5505 B13R0.150 CC(CNCCCCCCF)C(=O)O 269956a_100000749485_100015922095 [0,1,0,0,0,0|2,0,0]=3 5506 B13R0.150 CC(CNCCCCCCO)C(=O)O 269956a_100000749485_100000766143 [0,1,0,0,0,0|2,0,0]=3 5507 B13R0.150 CC(NCCCCCCCO)C(=O)N 2230a_100011996573_100000702099 [0,1,0,0,0,0|3,0,0]=4 5508 B13R0.150 CC(NCCCCCCCO)C(=O)N 34a_100011996573_100000702099 [0,1,0,0,0,0|3,0,0]=4 5509 B13R0.150 CC(OCCCCCCCBr)C(=O)N 34a_100000760002_100000702099 [0,1,0,0,0,0|3,0,0]=4 5510 B13R0.150 CC(OCCCCCCCBr)C(=O)N 7a_100000760002_100000702099 [0,1,0,0,0,0|3,0,0]=4 5511 B13R0.150 CC(OCCCCCCCN)C(=O)N 34a_100011996573_100000702099 [0,1,0,0,0,0|3,0,0]=4 5512 B13R0.150 CC(SCCCCCCCO)C(=O)N 62a_100000702099_100000760002 [0,1,0,0,0,0|3,0,0]=4 5513 B13R0.150 CC(SCCCCCCCO)C(=O)N 62a_100000760002_100000702099 [0,1,0,0,0,0|3,0,0]=4 5514 B13R0.150 CCCCCC#CCN[C@@H](C)C(=O)O 269956a_100000743915_100009816472 [0,1,0,0,0,0|1,0,2]=4 5515 B13R0.150 CCCCCCCCCC(=O)C(O)O 1458a_100000233687_100000210670 [0,1,0,0,0,0|0,0,3]=4 5516 B13R0.150 CCCCCCCCCC(=O)[C@@H](C)O 1458a_100000717761_100000210670 [0,1,0,0,0,0|1,0,2]=4 5517 B13R0.150 CCCCCCCCCC(=O)[C@H](C)O 1458a_217856618621_100000210670 [0,1,0,0,0,0|1,0,2]=4 5518 B13R0.150 CCCCCCCCCC(C)N(C)C 270004a_100102631434_100011215753 [0,1,0,0,0,0|3,0,0]=4 5519 B13R0.150 CCCCCCCCCN(C)C(=O)C 11a_100000232482_100015343762 [0,1,0,0,0,0|2,0,0]=3 5520 B13R0.150 CCCCCCCCCN(C)C(=O)C 1626a_100000232482_100015343762 [0,1,0,0,0,0|2,0,0]=3 5521 B13R0.150 CCCCCCCCCN(C)C(=O)C 240690a_100000232482_100015343762 [0,1,0,0,0,0|2,0,0]=3 5522 B13R0.150 CCCCCCCCCN(C)C(=O)C 527a_100000232482_100103153847 [0,1,0,0,0,0|2,0,0]=3 5523 B13R0.150 CCCCCCCCNC(=O)C(=O)N 240690a_100000229939_100011215815 [0,1,0,0,0,0|2,0,1]=4 5524 B13R0.150 CCCCCCCCNC(C)C(=O)C 2230a_100000229939_100009814033 [0,1,0,0,0,0|2,0,0]=3 5525 B13R0.150 CCCCCCCCNC(C)C(=O)N 2230a_100000229939_100000702099 [0,1,0,0,0,0|2,0,0]=3 5526 B13R0.150 CCCCCCCCNC(C)C(=O)N 34a_100000229939_100000702099 [0,1,0,0,0,0|2,0,0]=3 5527 B13R0.150 CCCCCCCCNC(F)C(=O)N 2230a_100000229939_100009813875 [0,1,0,0,0,0|2,0,0]=3 5528 B13R0.150 CCCCCCCCNC(F)C(=O)N 34a_100000229939_100009813875 [0,1,0,0,0,0|2,0,0]=3 5529 B13R0.150 CCCCCCCCNC(F)C(=O)[O-] 34a_100000229939_100020610796 [0,1,0,0,0,0|1,0,1]=3 5530 B13R0.150 CCCCCCCCN[C@@H](C)C(=O)O 269956a_100000743915_100000210759 [0,1,0,0,0,0|1,0,0]=2 5531 B13R0.150 CCCCCCCCN[C@H](C)C(=O)N 2230a_100000119354_100000210759 [0,1,0,0,0,0|2,0,0]=3 5532 B13R0.150 CCCCCCCCN[C@H](C)C(=O)N 34a_100000119354_100000210759 [0,1,0,0,0,0|2,0,0]=3 5533 B13R0.150 CCCCCCCCOC(C)C(=O)C 34a_100000212229_100000210759 [0,1,0,0,0,0|2,0,0]=3 5534 B13R0.150 CCCCCCCCOC(C)C(=O)C 7a_100000210232_100000179758 [0,1,0,0,0,0|2,0,0]=3 5535 B13R0.150 CCCCCCCCOC(C)C(=O)N 34a_100000210232_100000702099 [0,1,0,0,0,0|2,0,0]=3 5536 B13R0.150 CCCCCCCCOC(C)C(=O)N 7a_100000210232_100000702099 [0,1,0,0,0,0|2,0,0]=3 5537 B13R0.150 CCCCCCCCOC(F)C(=O)N 34a_100000210232_100009813875 [0,1,0,0,0,0|2,0,0]=3 5538 B13R0.150 CCCCCCCCOC(F)C(=O)N 7a_100000210232_100009813875 [0,1,0,0,0,0|2,0,0]=3 5539 B13R0.150 CCCCCCCCOC(F)C(=O)[O-] 34a_100000210232_100020610796 [0,1,0,0,0,0|1,0,1]=3 5540 B13R0.150 CCCCCCCCO[C@@H](C)C(=O)[O-] 7a_217856618621_100000210759 [0,1,0,0,0,0|1,0,1]=3 5541 B13R0.150 CCCCCCCCO[C@H](C)C(=O)N 34a_100000731257_100000210759 [0,1,0,0,0,0|2,0,0]=3 5542 B13R0.150 CCCCCCCCO[C@H](C)C(=O)N 7a_100000731257_100000210759 [0,1,0,0,0,0|2,0,0]=3 5543 B13R0.150 CCCCCCCCSC(C)C(=O)C 62a_100000210759_100009814033 [0,1,0,0,0,0|2,0,0]=3 5544 B13R0.150 CCCCCCCCSC(C)C(=O)C 62a_100009814033_100000210317 [0,1,0,0,0,0|2,0,0]=3 5545 B13R0.150 CCCCCCCCSC(C)C(=O)N 62a_100000210759_100000702099 [0,1,0,0,0,0|2,0,0]=3 5546 B13R0.150 CCCCCCCCSC(C)C(=O)N 62a_100000702099_100000210317 [0,1,0,0,0,0|2,0,0]=3 5547 B13R0.150 CCCCCCCCSC(F)C(=O)N 62a_100000210759_100009813875 [0,1,0,0,0,0|2,0,0]=3 5548 B13R0.150 CCCCCCCCSC(F)C(=O)N 62a_100009813875_100000210317 [0,1,0,0,0,0|2,0,0]=3 5549 B13R0.150 CCCCCCCCSC(F)C(=O)[O-] 62a_100000210759_100020610796 [0,1,0,0,0,0|1,0,1]=3 5550 B13R0.150 CCCCCCCCSC(F)C(=O)[O-] 62a_100020610796_100000210317 [0,1,0,0,0,0|1,0,1]=3 5551 B13R0.150 CCCCCCCNCC(C)C(=O)O 269956a_100000749485_100000210614 [0,1,0,0,0,0|1,0,0]=2 5552 B13R0.150 CCCCCCCNCC(F)C(=O)O 269956a_100000084737_100000210614 [0,1,0,0,0,0|1,0,0]=2 5553 B13R0.150 CCCCCCCOCC(=O)C(=O)C 34a_100000210272_100011261029 [0,1,0,0,0,0|2,0,1]=4 5554 B13R0.150 CCCCCCCOCC(C)C(=O)C 34a_100000032740_100000210614 [0,1,0,0,0,0|2,0,0]=3 5555 B13R0.150 CCCCCCCOCC(C)C(=O)C 7a_100000032740_100000210614 [0,1,0,0,0,0|2,0,0]=3 5556 B13R0.150 CCCCCCCOCC(C)[N+](=O)[O-] 34a_100000039676_100000210614 [0,1,0,0,0,0|2,0,1]=4 5557 B13R0.150 CCCCCCCOCC(C)[N+](=O)[O-] 7a_100000039676_100000210614 [0,1,0,0,0,0|2,0,1]=4 5558 B13R0.150 CCCCCCCOC[C@H](N)C(=O)N 34a_100000729942_100000210614 [0,1,0,0,0,0|2,0,0]=3 5559 B13R0.150 CCCCCCCSCC(=O)C(=O)C 62a_100000210614_100011261029 [0,1,0,0,0,0|2,0,1]=4 5560 B13R0.150 CCCCCCCSCC(=O)C(=O)C 62a_100011261029_100000210316 [0,1,0,0,0,0|2,0,1]=4 5561 B13R0.150 CCCCCNCCOC(C)C(=O)N 34a_100000224656_100000702099 [0,1,0,0,0,0|3,0,0]=4 5562 B13R0.150 CCCCCNCCOC(F)C(=O)N 34a_100000224656_100009813875 [0,1,0,0,0,0|3,0,0]=4 5563 B13R0.150 CCCCCNCCOC(F)C(=O)[O-] 34a_100000224656_100020610796 [0,1,0,0,0,0|2,0,1]=4 5564 B13R0.150 CCCCCOCCOC(C)C(=O)C 7a_100011215259_100000179758 [0,1,0,0,0,0|3,0,0]=4 5565 B13R0.150 CCCCCOCCOC(C)C(=O)N 34a_100011215259_100000702099 [0,1,0,0,0,0|3,0,0]=4 5566 B13R0.150 CCCCCOCCOC(C)C(=O)N 7a_100011215259_100000702099 [0,1,0,0,0,0|3,0,0]=4 5567 B13R0.150 CCCCCOCCOC(F)C(=O)N 34a_100011215259_100009813875 [0,1,0,0,0,0|3,0,0]=4 5568 B13R0.150 CCCCCOCCOC(F)C(=O)N 7a_100011215259_100009813875 [0,1,0,0,0,0|3,0,0]=4 5569 B13R0.150 CCCCCOCCOC(F)C(=O)[O-] 34a_100011215259_100020610796 [0,1,0,0,0,0|2,0,1]=4 5570 B13R0.150 CCCCOCCCNC(C)C(=O)C 2230a_200000211371_100009814033 [0,1,0,0,0,0|3,0,0]=4 5571 B13R0.150 CCCCOCCCNC(C)C(=O)N 2230a_200000211371_100000702099 [0,1,0,0,0,0|3,0,0]=4 5572 B13R0.150 CCCCOCCCNC(C)C(=O)N 34a_200000211371_100000702099 [0,1,0,0,0,0|3,0,0]=4 5573 B13R0.150 CCCCOCCCNC(F)C(=O)N 2230a_200000211371_100009813875 [0,1,0,0,0,0|3,0,0]=4 5574 B13R0.150 CCCCOCCCNC(F)C(=O)N 34a_200000211371_100009813875 [0,1,0,0,0,0|3,0,0]=4 5575 B13R0.150 CCCCOCCCNC(F)C(=O)[O-] 34a_200000211371_100020610796 [0,1,0,0,0,0|2,0,1]=4 5576 B13R0.150 CCCCOCCCOC(C)C(=O)C 7a_200011215613_100000179758 [0,1,0,0,0,0|3,0,0]=4 5577 B13R0.150 CCCCOCCCOC(C)C(=O)N 34a_200011215613_100000702099 [0,1,0,0,0,0|3,0,0]=4 5578 B13R0.150 CCCCOCCCOC(C)C(=O)N 7a_200011215613_100000702099 [0,1,0,0,0,0|3,0,0]=4 5579 B13R0.150 CCCCOCCCOC(F)C(=O)N 34a_200011215613_100009813875 [0,1,0,0,0,0|3,0,0]=4 5580 B13R0.150 CCCCOCCCOC(F)C(=O)N 7a_200011215613_100009813875 [0,1,0,0,0,0|3,0,0]=4 5581 B13R0.150 CCCCOCCCOC(F)C(=O)[O-] 34a_200011215613_100020610796 [0,1,0,0,0,0|2,0,1]=4 5582 B13R0.150 CCCCOCCNCC(C)C(=O)O 269956a_100000749485_100000743108 [0,1,0,0,0,0|2,0,0]=3 5583 B13R0.150 CCCCOCCNCC(F)C(=O)O 269956a_100000084737_100000743108 [0,1,0,0,0,0|2,0,0]=3 5584 B13R0.150 CCCCOCCOCC(C)C(=O)C 34a_100000032740_100000743108 [0,1,0,0,0,0|3,0,0]=4 5585 B13R0.150 CCCCOCCOCC(C)C(=O)C 7a_100000032740_100000743108 [0,1,0,0,0,0|3,0,0]=4 5586 B13R0.150 CCCCOCCOC[C@H](N)C(=O)N 34a_100000729942_100000743108 [0,1,0,0,0,0|3,0,0]=4 5587 B13R0.150 CCOCCOCCN[C@@H](C)C(=O)O 269956a_100000743915_100011211534 [0,1,0,0,0,0|3,0,0]=4 5588 B13R0.150 COCCCCCCN[C@@H](C)C(=O)O 269956a_100000743915_100011998445 [0,1,0,0,0,0|2,0,0]=3 5589 B13R0.150 COCCCCCCN[C@H](C)C(=O)N 2230a_100000119354_100011998445 [0,1,0,0,0,0|3,0,0]=4 5590 B13R0.150 COCCCCCCN[C@H](C)C(=O)N 34a_100000119354_100011998445 [0,1,0,0,0,0|3,0,0]=4 5591 B13R0.150 COCCCCCCOC(C)C(=O)C 34a_100000212229_100011998445 [0,1,0,0,0,0|3,0,0]=4 5592 B13R0.150 COCCCCCCOC(C)C(=O)C 7a_200012092642_100000179758 [0,1,0,0,0,0|3,0,0]=4 5593 B13R0.150 COCCCCCCOC(C)C(=O)N 34a_200012092642_100000702099 [0,1,0,0,0,0|3,0,0]=4 5594 B13R0.150 COCCCCCCOC(C)C(=O)N 7a_200012092642_100000702099 [0,1,0,0,0,0|3,0,0]=4 5595 B13R0.150 COCCCCCCOC(F)C(=O)N 34a_200012092642_100009813875 [0,1,0,0,0,0|3,0,0]=4 5596 B13R0.150 COCCCCCCOC(F)C(=O)N 7a_200012092642_100009813875 [0,1,0,0,0,0|3,0,0]=4 5597 B13R0.150 COCCCCCCOC(F)C(=O)[O-] 34a_200012092642_100020610796 [0,1,0,0,0,0|2,0,1]=4 5598 B13R0.150 COCCCCCCO[C@@H](C)C(=O)[O-] 7a_217856618621_100011998445 [0,1,0,0,0,0|2,0,1]=4 5599 B13R0.150 COCCCCCCO[C@H](C)C(=O)N 34a_100000731257_100011998445 [0,1,0,0,0,0|3,0,0]=4 5600 B13R0.150 COCCCCCCO[C@H](C)C(=O)N 7a_100000731257_100011998445 [0,1,0,0,0,0|3,0,0]=4 5601 B13R0.150 COCCCCCCSC(C)C(=O)C 62a_100009814033_100011998445 [0,1,0,0,0,0|3,0,0]=4 5602 B13R0.150 COCCCCCCSC(C)C(=O)C 62a_100011998445_100009814033 [0,1,0,0,0,0|3,0,0]=4 5603 B13R0.150 COCCCCCCSC(C)C(=O)N 62a_100000702099_100011998445 [0,1,0,0,0,0|3,0,0]=4 5604 B13R0.150 COCCCCCCSC(C)C(=O)N 62a_100011998445_100000702099 [0,1,0,0,0,0|3,0,0]=4 5605 B13R0.150 COCCCCCCSC(F)C(=O)N 62a_100009813875_100011998445 [0,1,0,0,0,0|3,0,0]=4 5606 B13R0.150 COCCCCCCSC(F)C(=O)N 62a_100011998445_100009813875 [0,1,0,0,0,0|3,0,0]=4 5607 B13R0.150 COCCCCCCSC(F)C(=O)[O-] 62a_100011998445_100020610796 [0,1,0,0,0,0|2,0,1]=4 5608 B13R0.150 COCCCCCCSC(F)C(=O)[O-] 62a_100020610796_100011998445 [0,1,0,0,0,0|2,0,1]=4 5609 B13R0.150 COCCOCCCN[C@@H](C)C(=O)O 269956a_100000743915_100011216529 [0,1,0,0,0,0|3,0,0]=4 5610 B13R0.150 COCCOCCNCC(C)C(=O)O 269956a_100000749485_100000695917 [0,1,0,0,0,0|3,0,0]=4 5611 B13R0.150 COCCOCCNCC(F)C(=O)O 269956a_100000084737_100000695917 [0,1,0,0,0,0|3,0,0]=4 5612 B13R0.150 C[C@@H](NCCCCCCCO)C(=O)N 2230a_100000119354_100000760002 [0,1,0,0,0,0|3,0,0]=4 5613 B13R0.150 C[C@@H](NCCCCCCCO)C(=O)N 34a_100000119354_100000760002 [0,1,0,0,0,0|3,0,0]=4 5614 B13R0.150 C[C@@H](OCCCCCCCO)C(=O)N 34a_100000731257_100000760002 [0,1,0,0,0,0|3,0,0]=4 5615 B13R0.150 C[C@@H](OCCCCCCCO)C(=O)N 7a_100000731257_100000760002 [0,1,0,0,0,0|3,0,0]=4 5616 B13R0.150 C[C@H](NCCCCCCC#N)C(=O)O 269956a_100000743915_100009813337 [0,1,0,0,0,0|2,0,1]=4 5617 B13R0.150 C[C@H](NCCCCCCCO)C(=O)O 269956a_100000743915_100000760002 [0,1,0,0,0,0|2,0,0]=3 5618 B13R0.150 C[C@H](OCCCCCCCO)C(=O)[O-] 7a_217856618621_100000760002 [0,1,0,0,0,0|2,0,1]=4 5619 B13R0.150 N#CCCCCCNCC(F)C(=O)O 269956a_100000084737_100009813376 [0,1,0,0,0,0|2,0,1]=4 5620 B13R0.150 NC(=O)C(F)NCCCCCCCO 2230a_100011996573_100009813875 [0,1,0,0,0,0|3,0,0]=4 5621 B13R0.150 NC(=O)C(F)NCCCCCCCO 34a_100011996573_100009813875 [0,1,0,0,0,0|3,0,0]=4 5622 B13R0.150 NC(=O)C(F)OCCCCCCCBr 34a_100000760002_100009813875 [0,1,0,0,0,0|3,0,0]=4 5623 B13R0.150 NC(=O)C(F)OCCCCCCCBr 7a_100000760002_100009813875 [0,1,0,0,0,0|3,0,0]=4 5624 B13R0.150 NC(=O)C(F)SCCCCCCCO 62a_100000760002_100009813875 [0,1,0,0,0,0|3,0,0]=4 5625 B13R0.150 NC(=O)C(F)SCCCCCCCO 62a_100009813875_100000760002 [0,1,0,0,0,0|3,0,0]=4 5626 B13R0.150 NC(=O)[C@@H](N)COCCCCCCF 34a_100000729942_100015922095 [0,1,0,0,0,0|3,0,0]=4 5627 B13R0.150 NC(=O)[C@@H](N)COCCCCCCO 34a_100000729942_100000766143 [0,1,0,0,0,0|3,0,0]=4 5628 B13R0.150 NCCCCCCCOC(F)C(=O)N 34a_100011996573_100009813875 [0,1,0,0,0,0|3,0,0]=4 5629 B13R0.150 NCCCCCCCOC(F)C(=O)[O-] 34a_100011996573_100020610796 [0,1,0,0,0,0|2,0,1]=4 5630 B13R0.150 O=C(O)C(F)CNCCCCCCF 269956a_100000084737_100015922095 [0,1,0,0,0,0|2,0,0]=3 5631 B13R0.150 O=C(O)C(F)CNCCCCCCO 269956a_100000084737_100000766143 [0,1,0,0,0,0|2,0,0]=3 5632 B13R0.150 O=C([O-])C(F)NCCCCCCCO 34a_100011996573_100020610796 [0,1,0,0,0,0|2,0,1]=4 5633 B13R0.150 O=C([O-])C(F)OCCCCCCCBr 34a_100000760002_100020610796 [0,1,0,0,0,0|2,0,1]=4 5634 B13R0.150 O=C([O-])C(F)SCCCCCCCO 62a_100000760002_100020610796 [0,1,0,0,0,0|2,0,1]=4 5635 B13R0.150 O=C([O-])C(F)SCCCCCCCO 62a_100020610796_100000760002 [0,1,0,0,0,0|2,0,1]=4 5636 B13R0.150 O=CCCCCCNCC(F)C(=O)O 269956a_100000084737_100000139337 [0,1,0,0,0,0|2,0,1]=4 5637 B13R0.154 C=C(C)CCC(=O)CCCCCCC 1458a_100000211969_100000730704 [0,1,0,0,0,0|2,0,1]=4 5638 B13R0.154 C=C(C)CCC(=O)CCCCCCC 1458a_200000688413_100000210614 [0,1,0,0,0,0|2,0,1]=4 5639 B13R0.154 C=C(C)CCC(C)NCCCCCC 270004a_100000210581_100011215600 [0,1,0,0,0,0|3,0,0]=4 5640 B13R0.154 C=C(C)CCN(C)CCCCCCC 2230a_100000228206_100000730704 [0,1,0,0,0,0|3,0,0]=4 5641 B13R0.154 C=C(C)CCN(C)CCCCCCC 269982a_100000228206_100000730704 [0,1,0,0,0,0|3,0,0]=4 5642 B13R0.154 C=C(C)COC(C)CCCCCCC 34a_100000210245_200011218727 [0,1,0,0,0,0|3,0,0]=4 5643 B13R0.154 C=C(C)COC(C)CCCCCCC 34a_200011215852_100000748629 [0,1,0,0,0,0|3,0,0]=4 5644 B13R0.154 C=C(C)COC(C)CCCCCCC 7a_200011215852_100000748629 [0,1,0,0,0,0|3,0,0]=4 5645 B13R0.154 C=C(C)CSC(C)CCCCCCC 62a_100000748629_200011218727 [0,1,0,0,0,0|3,0,0]=4 5646 B13R0.154 C=C(C)CSC(C)CCCCCCC 62a_200011218727_100000211660 [0,1,0,0,0,0|3,0,0]=4 5647 B13R0.154 C=C(F)COC(C)CCCCCCC 34a_200010262243_200011218727 [0,1,0,0,0,0|3,0,0]=4 5648 B13R0.154 C=C(F)COC(C)CCCCCCC 34a_200011215852_100009893438 [0,1,0,0,0,0|3,0,0]=4 5649 B13R0.154 C=C(F)COC(C)CCCCCCC 7a_200011215852_100000042424 [0,1,0,0,0,0|3,0,0]=4 5650 B13R0.154 C=C(F)CSC(C)CCCCCCC 62a_100000042424_200011218727 [0,1,0,0,0,0|3,0,0]=4 5651 B13R0.154 C=C(F)CSC(C)CCCCCCC 62a_200011218727_100000042424 [0,1,0,0,0,0|3,0,0]=4 5652 B13R0.154 CCCCCCCC(=O)CCC(=O)N 1458a_100011215257_100000210614 [0,1,0,0,0,0|1,0,1]=3 5653 B13R0.154 CCCCCCCC(=O)CCC(C)O 1458a_100000211969_100012276601 [0,1,0,0,0,0|1,0,2]=4 5654 B13R0.154 CCCCCCCC(=O)CC[N+](=O)[O-] 1458a_200000064761_100000210614 [0,1,0,0,0,0|1,0,2]=4 5655 B13R0.154 CCCCCCCC(=O)CNC(=O)C 1458a_100000194580_100000210614 [0,1,0,0,0,0|2,0,1]=4 5656 B13R0.154 CCCCCCCC(=O)CNC(=O)N 1458a_100000184981_100000210614 [0,1,0,0,0,0|2,0,1]=4 5657 B13R0.154 CCCCCCCC(=O)COC(=O)C 1458a_100000183556_100000210614 [0,1,0,0,0,0|2,0,1]=4 5658 B13R0.154 CCCCCCCC(=O)CSC(=O)C 1458a_100000049016_100000210614 [0,1,0,0,0,0|2,0,1]=4 5659 B13R0.154 CCCCCCCC(=O)NCC(=O)C 1458a_100000691742_200000210301 [0,1,0,0,0,0|2,0,1]=4 5660 B13R0.154 CCCCCCCC(=O)NCC(=O)N 11a_100000711301_100000211969 [0,1,0,0,0,0|2,0,1]=4 5661 B13R0.154 CCCCCCCC(=O)NCC(=O)N 240690a_100000711301_100000211969 [0,1,0,0,0,0|2,0,1]=4 5662 B13R0.154 CCCCCCCC(=O)NCC(=O)N 527a_100000711301_100000211969 [0,1,0,0,0,0|2,0,1]=4 5663 B13R0.154 CCCCCCCC(=O)NCC(=O)[13CH3] 1458a_100000691742_200025704644 [0,1,0,0,0,0|2,0,1]=4 5664 B13R0.154 CCCCCCCC(=O)OCC(=O)C 1458a_100000070787_100009852258 [0,1,0,0,0,0|2,0,1]=4 5665 B13R0.154 CCCCCCCC(C)NCC(=O)N 2230a_100000711301_200011218727 [0,1,0,0,0,0|2,0,0]=3 5666 B13R0.154 CCCCCCCC(C)NCC(=O)O 269956a_100016091260_200011218727 [0,1,0,0,0,0|1,0,0]=2 5667 B13R0.154 CCCCCCCC(C)NCC(C)O 2230a_100000210904_200011218727 [0,1,0,0,0,0|2,0,1]=4 5668 B13R0.154 CCCCCCCC(C)NCC(C)O 270004a_100000210904_100000210596 [0,1,0,0,0,0|2,0,1]=4 5669 B13R0.154 CCCCCCCC(C)NCC(C)O 34a_100000210904_200011218727 [0,1,0,0,0,0|2,0,1]=4 5670 B13R0.154 CCCCCCCC(C)OCC(=O)C 34a_100000211253_200011218727 [0,1,0,0,0,0|2,0,0]=3 5671 B13R0.154 CCCCCCCC(C)OCC(=O)N 34a_200011215852_100000187820 [0,1,0,0,0,0|2,0,0]=3 5672 B13R0.154 CCCCCCCC(C)OCC(=O)N 7a_200011215852_100000187820 [0,1,0,0,0,0|2,0,0]=3 5673 B13R0.154 CCCCCCCC(C)OCC(=O)[O-] 34a_200011215852_100020667443 [0,1,0,0,0,0|1,0,1]=3 5674 B13R0.154 CCCCCCCC(C)OCC(C)O 34a_200011215852_100011218427 [0,1,0,0,0,0|2,0,1]=4 5675 B13R0.154 CCCCCCCC(C)OCC(C)O 7a_200011215852_100011218427 [0,1,0,0,0,0|2,0,1]=4 5676 B13R0.154 CCCCCCCC(C)OC[C@@H](C)O 34a_200011215852_100009817552 [0,1,0,0,0,0|2,0,1]=4 5677 B13R0.154 CCCCCCCC(C)OC[C@@H](C)O 7a_200011215852_100009817552 [0,1,0,0,0,0|2,0,1]=4 5678 B13R0.154 CCCCCCCC(C)OC[N+](=O)[O-] 34a_200011215852_100000761209 [0,1,0,0,0,0|2,0,1]=4 5679 B13R0.154 CCCCCCCC(C)SCC(=O)N 62a_100000747473_200011218727 [0,1,0,0,0,0|2,0,0]=3 5680 B13R0.154 CCCCCCCC(C)SCC(=O)N 62a_200011218727_100000747473 [0,1,0,0,0,0|2,0,0]=3 5681 B13R0.154 CCCCCCCC(C)SCC(=O)[O-] 62a_100020667443_200011218727 [0,1,0,0,0,0|1,0,1]=3 5682 B13R0.154 CCCCCCCC(C)SCC(=O)[O-] 62a_200011218727_100020667443 [0,1,0,0,0,0|1,0,1]=3 5683 B13R0.154 CCCCCCCC(C)SCC(C)O 62a_100011218427_200011218727 [0,1,0,0,0,0|2,0,1]=4 5684 B13R0.154 CCCCCCCC(C)SCC(C)O 62a_200011218727_100011218427 [0,1,0,0,0,0|2,0,1]=4 5685 B13R0.154 CCCCCCCC(C)SC[C@@H](C)O 62a_100009817552_200011218727 [0,1,0,0,0,0|2,0,1]=4 5686 B13R0.154 CCCCCCCC(C)SC[C@@H](C)O 62a_200011218727_100009817552 [0,1,0,0,0,0|2,0,1]=4 5687 B13R0.154 CCCCCCCC(C)SC[N+](=O)[O-] 62a_200011218727_100000761209 [0,1,0,0,0,0|2,0,1]=4 5688 B13R0.154 CCCCCCCN(C)CCC(=O)C 269982a_100000228206_100000053229 [0,1,0,0,0,0|2,0,0]=3 5689 B13R0.154 CCCCCCCN(C)CCC(=O)N 2230a_100000228206_100000744528 [0,1,0,0,0,0|2,0,0]=3 5690 B13R0.154 CCCCCCCN(C)CCC(=O)N 2230a_100000730477_100000210681 [0,1,0,0,0,0|2,0,0]=3 5691 B13R0.154 CCCCCCCN(C)CCC(=O)N 269982a_100000228206_100000744528 [0,1,0,0,0,0|2,0,0]=3 5692 B13R0.154 CCCCCCCN(C)CCC(C)O 2230a_100000228206_100012276601 [0,1,0,0,0,0|2,0,1]=4 5693 B13R0.154 CCCCCCCN(C)CCC(C)O 269982a_100000228206_100012276601 [0,1,0,0,0,0|2,0,1]=4 5694 B13R0.154 CCCCCCCN(C)COC(=O)C 269982a_100000228206_100000076356 [0,1,0,0,0,0|3,0,0]=4 5695 B13R0.154 CCCCCCNC(=O)CCC(=O)N 240690a_100000210581_100011215257 [0,1,0,0,0,0|2,0,1]=4 5696 B13R0.154 CCCCCCNC(=O)CCC(=O)N 527a_100000210581_100011215257 [0,1,0,0,0,0|2,0,1]=4 5697 B13R0.154 CCCCCCNC(C)COC(=O)C 270004a_100000210581_100000000629 [0,1,0,0,0,0|3,0,0]=4 5698 B13R0.154 CCCCCNCC(=O)NCC(=O)O 269956a_100000183575_100000210326 [0,1,0,0,0,0|2,0,1]=4 5699 B13R0.154 CCCCCNCC(C)CSC(=O)C 2230a_100000209983_200000116872 [0,1,0,0,0,0|3,0,0]=4 5700 B13R0.154 CCCCCOCC(C)CSC(=O)C 34a_100000210253_200000116872 [0,1,0,0,0,0|3,0,0]=4 5701 B13R0.154 CCCCCOCC(C)CSC(=O)C 7a_100000210253_200000116872 [0,1,0,0,0,0|3,0,0]=4 5702 B13R0.154 CCCCCOCC(O)COC(=O)C 34a_100000210253_200000139349 [0,1,0,0,0,0|3,0,0]=4 5703 B13R0.154 CCCCCOCC(O)COC(=O)C 7a_100000210253_200000139349 [0,1,0,0,0,0|3,0,0]=4 5704 B13R0.154 CCCCCSCC(C)CSC(=O)C 62a_100000210326_200000116872 [0,1,0,0,0,0|3,0,0]=4 5705 B13R0.154 CCCCCSCC(C)CSC(=O)C 62a_200000116872_100000210326 [0,1,0,0,0,0|3,0,0]=4 5706 B13R0.154 CCCCCSCC(O)COC(=O)C 62a_100000210326_200000139349 [0,1,0,0,0,0|3,0,0]=4 5707 B13R0.154 CCCCCSCC(O)COC(=O)C 62a_200000139349_100000210326 [0,1,0,0,0,0|3,0,0]=4 5708 B13R0.154 CCCCNCCC(=O)NCC(=O)O 269956a_100000722369_100000210211 [0,1,0,0,0,0|2,0,1]=4 5709 B13R0.154 CCCCOCCC(=O)CCC(=O)N 1458a_100011215257_100000743108 [0,1,0,0,0,0|2,0,1]=4 5710 B13R0.154 CCCCOCCN(C)CCC(=O)N 2230a_100000730477_100000743108 [0,1,0,0,0,0|3,0,0]=4 5711 B13R0.154 CN(CCCCCCF)CCC(=O)N 2230a_100000730477_100015922095 [0,1,0,0,0,0|3,0,0]=4 5712 B13R0.154 CN(CCCCCCO)CCC(=O)N 2230a_100000730477_100000766143 [0,1,0,0,0,0|3,0,0]=4 5713 B13R0.154 NC(=O)CCC(=O)CCCCCCF 1458a_100011215257_100015922095 [0,1,0,0,0,0|2,0,1]=4 5714 B13R0.154 NC(=O)CCC(=O)CCCCCCO 1458a_100011215257_100000766143 [0,1,0,0,0,0|2,0,1]=4 5715 B13R0.179 C=C(Br)CCOCCCCCC(C)C 34a_100009813270_100000210682 [0,1,0,0,0,0|3,0,0]=4 5716 B13R0.179 C=C(C)CCNCCCCCC(C)C 2230a_100011290863_100000730704 [0,1,0,0,0,0|3,0,0]=4 5717 B13R0.179 C=C(C)CCNCCCCCC(C)C 34a_100011290863_100000730704 [0,1,0,0,0,0|3,0,0]=4 5718 B13R0.179 C=C(C)CCOCCCCCC(=O)N 34a_100000123541_100000730704 [0,1,0,0,0,0|2,0,1]=4 5719 B13R0.179 C=C(C)CCOCCCCCC(=O)N 34a_100000764851_100009817443 [0,1,0,0,0,0|2,0,1]=4 5720 B13R0.179 C=C(C)CCOCCCCCC(=O)N 7a_100000123541_100000730704 [0,1,0,0,0,0|2,0,1]=4 5721 B13R0.179 C=C(C)CCOCCCCCC(=O)[O-] 7a_100102619762_100000730704 [0,1,0,0,0,0|1,0,2]=4 5722 B13R0.179 C=C(C)CCOCCCCCC(C)C 34a_100000764851_100000210682 [0,1,0,0,0,0|3,0,0]=4 5723 B13R0.179 C=C(C)CCOCCCCCC(C)C 34a_100011995859_100000730704 [0,1,0,0,0,0|3,0,0]=4 5724 B13R0.179 C=C(C)CCOCCCCCC(C)C 7a_100011995859_100000730704 [0,1,0,0,0,0|3,0,0]=4 5725 B13R0.179 C=C(C)CCSCCCCCC(=O)N 62a_100000730704_100009817443 [0,1,0,0,0,0|2,0,1]=4 5726 B13R0.179 C=C(C)CCSCCCCCC(=O)N 62a_100009817443_100000730704 [0,1,0,0,0,0|2,0,1]=4 5727 B13R0.179 C=C(C)CCSCCCCCC(C)C 62a_100000210682_100000730704 [0,1,0,0,0,0|3,0,0]=4 5728 B13R0.179 C=C(C)CCSCCCCCC(C)C 62a_100000730704_100000210682 [0,1,0,0,0,0|3,0,0]=4 5729 B13R0.179 C=C(C)CNCCCCCCC(C)C 2230a_100000211014_100000748629 [0,1,0,0,0,0|3,0,0]=4 5730 B13R0.179 C=C(C)CNCCCCCCC(C)C 34a_100000211014_100000748629 [0,1,0,0,0,0|3,0,0]=4 5731 B13R0.179 C=C(F)CNCCCCCCC(C)C 2230a_100000211014_100009893438 [0,1,0,0,0,0|3,0,0]=4 5732 B13R0.179 C=C(F)CNCCCCCCC(C)C 34a_100000211014_100009893438 [0,1,0,0,0,0|3,0,0]=4 5733 B13R0.179 CC(=O)CCCCNCCCC(=O)N 34a_100000739312_100009817362 [0,1,0,0,0,0|2,0,1]=4 5734 B13R0.179 CC(=O)CCCCNCCCC(C)C 34a_200000737386_100009817362 [0,1,0,0,0,0|2,0,0]=3 5735 B13R0.179 CC(=O)CCCCNCCOC(C)C 34a_100000701111_100009817362 [0,1,0,0,0,0|3,0,0]=4 5736 B13R0.179 CC(=O)CCCCNCCSC(C)C 34a_100000731138_100009817362 [0,1,0,0,0,0|3,0,0]=4 5737 B13R0.179 CC(=O)CCCCOCCCC(=O)C 34a_100000759063_100009817362 [0,1,0,0,0,0|2,0,1]=4 5738 B13R0.179 CC(=O)CCCCOCCCC(=O)C 7a_100000759063_100000735457 [0,1,0,0,0,0|2,0,1]=4 5739 B13R0.179 CC(=O)CCCCOCCCC(C)C 34a_100000210774_100009817362 [0,1,0,0,0,0|2,0,0]=3 5740 B13R0.179 CC(=O)CCCCOCCCC(C)C 7a_100000210774_100000735457 [0,1,0,0,0,0|2,0,0]=3 5741 B13R0.179 CC(=O)CCCCOCCNC(C)C 34a_100000224655_100009817362 [0,1,0,0,0,0|3,0,0]=4 5742 B13R0.179 CC(=O)CCCCOCCOC(C)C 34a_100000211219_100009817362 [0,1,0,0,0,0|3,0,0]=4 5743 B13R0.179 CC(=O)CCCCOCCOC(C)C 7a_100000211219_100000735457 [0,1,0,0,0,0|3,0,0]=4 5744 B13R0.179 CC(=O)CCCCOCCSC(C)C 34a_200011212901_100009817362 [0,1,0,0,0,0|3,0,0]=4 5745 B13R0.179 CC(=O)CCCCOCCSC(C)C 7a_200011212901_100000735457 [0,1,0,0,0,0|3,0,0]=4 5746 B13R0.179 CC(=O)CCCCSCCCC(=O)C 62a_100000735457_100011215641 [0,1,0,0,0,0|2,0,1]=4 5747 B13R0.179 CC(=O)CCCCSCCCC(=O)C 62a_100011215641_100000735457 [0,1,0,0,0,0|2,0,1]=4 5748 B13R0.179 CC(=O)CCCCSCCCC(=O)N 62a_100000735457_100102525003 [0,1,0,0,0,0|2,0,1]=4 5749 B13R0.179 CC(=O)CCCCSCCCC(=O)N 62a_100102525003_100000735457 [0,1,0,0,0,0|2,0,1]=4 5750 B13R0.179 CC(=O)CCCCSCCCC(C)C 62a_100000735457_100011214892 [0,1,0,0,0,0|2,0,0]=3 5751 B13R0.179 CC(=O)CCCCSCCCC(C)C 62a_100011214892_100000735457 [0,1,0,0,0,0|2,0,0]=3 5752 B13R0.179 CC(=O)CCCCSCCCC(C)O 62a_100000735457_200000718107 [0,1,0,0,0,0|2,0,0]=3 5753 B13R0.179 CC(=O)CCCCSCCCC(C)O 62a_200000718107_100000735457 [0,1,0,0,0,0|2,0,0]=3 5754 B13R0.179 CC(=O)CCCCSCCCN(C)C 62a_100000735457_100000757444 [0,1,0,0,0,0|3,0,0]=4 5755 B13R0.179 CC(=O)CCCCSCCOC(C)C 62a_100000211751_100000735457 [0,1,0,0,0,0|3,0,0]=4 5756 B13R0.179 CC(=O)CCCCSCCOC(C)C 62a_100000735457_100000211751 [0,1,0,0,0,0|3,0,0]=4 5757 B13R0.179 CC(=O)CCCCSCCSC(C)C 62a_100000730970_100000735457 [0,1,0,0,0,0|3,0,0]=4 5758 B13R0.179 CC(=O)CCCCSCCSC(C)C 62a_100000735457_100000730970 [0,1,0,0,0,0|3,0,0]=4 5759 B13R0.179 CC(=O)CCCNCCCCC(=O)N 34a_100000696515_100000685027 [0,1,0,0,0,0|2,0,1]=4 5760 B13R0.179 CC(=O)CCCNCCCOC(C)C 34a_100000737246_100000685027 [0,1,0,0,0,0|3,0,0]=4 5761 B13R0.179 CC(=O)CCCNCCOCC(=O)O 269956a_100000700818_100011215641 [0,1,0,0,0,0|2,0,1]=4 5762 B13R0.179 CC(=O)CCCOCCCCC(=O)N 34a_100012022536_100000685027 [0,1,0,0,0,0|2,0,1]=4 5763 B13R0.179 CC(=O)CCCOCCCCC(=O)N 7a_100012022536_100011215641 [0,1,0,0,0,0|2,0,1]=4 5764 B13R0.179 CC(=O)CCCOCCCCC(C)C 34a_100000759063_100011216152 [0,1,0,0,0,0|2,0,0]=3 5765 B13R0.179 CC(=O)CCCOCCCCC(C)C 34a_100011214890_100000685027 [0,1,0,0,0,0|2,0,0]=3 5766 B13R0.179 CC(=O)CCCOCCCCC(C)C 7a_100000759063_100011216152 [0,1,0,0,0,0|2,0,0]=3 5767 B13R0.179 CC(=O)CCCOCCCCC(C)C 7a_100011214890_100011215641 [0,1,0,0,0,0|2,0,0]=3 5768 B13R0.179 CC(=O)CCCOCCCNC(C)C 34a_100000182298_100000685027 [0,1,0,0,0,0|3,0,0]=4 5769 B13R0.179 CC(=O)CCCOCCNCC(C)C 34a_100015185251_100000685027 [0,1,0,0,0,0|3,0,0]=4 5770 B13R0.179 CC(=O)CCCOCCOCC(C)C 34a_100000703358_100000685027 [0,1,0,0,0,0|3,0,0]=4 5771 B13R0.179 CC(=O)CCCOCCOCC(C)C 7a_100000703358_100011215641 [0,1,0,0,0,0|3,0,0]=4 5772 B13R0.179 CC(=O)CCCOCCSCC(C)C 34a_200000230437_100000685027 [0,1,0,0,0,0|3,0,0]=4 5773 B13R0.179 CC(=O)CCCOCCSCC(C)C 7a_200000230437_100011215641 [0,1,0,0,0,0|3,0,0]=4 5774 B13R0.179 CC(=O)CCCSCCCCC(C)C 62a_100011215641_100011216152 [0,1,0,0,0,0|2,0,0]=3 5775 B13R0.179 CC(=O)CCCSCCCCC(C)C 62a_100011216152_100011215641 [0,1,0,0,0,0|2,0,0]=3 5776 B13R0.179 CC(=O)CCCSCCCCN(C)C 62a_100011215641_100000690147 [0,1,0,0,0,0|3,0,0]=4 5777 B13R0.179 CC(=O)CCOCCCCCC(=O)N 34a_100000759926_100009817443 [0,1,0,0,0,0|2,0,1]=4 5778 B13R0.179 CC(=O)CCOCCCCCC(=O)N 7a_100000123541_100000053229 [0,1,0,0,0,0|2,0,1]=4 5779 B13R0.179 CC(=O)CCOCCCCCC(=O)N 7a_100000759926_100009817443 [0,1,0,0,0,0|2,0,1]=4 5780 B13R0.179 CC(=O)CCOCCCCCC(=O)[O-] 7a_100102619762_100000053229 [0,1,0,0,0,0|1,0,2]=4 5781 B13R0.179 CC(=O)CCOCCCCCC(C)C 34a_100000759926_100000210682 [0,1,0,0,0,0|2,0,0]=3 5782 B13R0.179 CC(=O)CCOCCCCCC(C)C 7a_100000759926_100000210682 [0,1,0,0,0,0|2,0,0]=3 5783 B13R0.179 CC(=O)CCOCCCCCC(C)C 7a_100011995859_100000053229 [0,1,0,0,0,0|2,0,0]=3 5784 B13R0.179 CC(=O)CCSCCCCCC(=O)N 62a_100000053229_100009817443 [0,1,0,0,0,0|2,0,1]=4 5785 B13R0.179 CC(=O)CCSCCCCCC(=O)N 62a_100009817443_100000053229 [0,1,0,0,0,0|2,0,1]=4 5786 B13R0.179 CC(=O)CCSCCCCCC(C)C 62a_100000053229_100000210682 [0,1,0,0,0,0|2,0,0]=3 5787 B13R0.179 CC(=O)CCSCCCCCC(C)C 62a_100000210682_100000053229 [0,1,0,0,0,0|2,0,0]=3 5788 B13R0.179 CC(=O)NCCCCCCNC(C)C 2230a_200011996284_100000210206 [0,1,0,0,0,0|3,0,0]=4 5789 B13R0.179 CC(=O)NCCCCCCNC(C)C 34a_200011996284_100000210206 [0,1,0,0,0,0|3,0,0]=4 5790 B13R0.179 CC(=O)NCCCCCNCC(C)C 2230a_200012022750_100000210760 [0,1,0,0,0,0|3,0,0]=4 5791 B13R0.179 CC(=O)NCCCCCNCC(C)C 270004a_200012022750_100000210432 [0,1,0,0,0,0|3,0,0]=4 5792 B13R0.179 CC(=O)NCCCCCNCC(C)C 34a_200012022750_100000210624 [0,1,0,0,0,0|3,0,0]=4 5793 B13R0.179 CC(=O)NCCCCCNCC(C)O 2230a_200012022750_100011218427 [0,1,0,0,0,0|3,0,0]=4 5794 B13R0.179 CC(=O)NCCCCCNCC(C)O 34a_200012022750_100011218427 [0,1,0,0,0,0|3,0,0]=4 5795 B13R0.179 CC(=O)NCCCCCNC[C@@H](C)O 2230a_200012022750_100009817552 [0,1,0,0,0,0|3,0,0]=4 5796 B13R0.179 CC(=O)NCCCCCNC[C@@H](C)O 34a_200012022750_100009817552 [0,1,0,0,0,0|3,0,0]=4 5797 B13R0.179 CC(=O)NCCCCNCCC(C)C 2230a_200011368371_100000210312 [0,1,0,0,0,0|3,0,0]=4 5798 B13R0.179 CC(=O)NCCCCNCCC(C)C 269862a_200011368371_100000185833 [0,1,0,0,0,0|3,0,0]=4 5799 B13R0.179 CC(=O)NCCCCNCCC(C)C 34a_200011368371_100000210312 [0,1,0,0,0,0|3,0,0]=4 5800 B13R0.179 CC(=O)NCCCCNCCC(C)O 2230a_200011368371_100012276601 [0,1,0,0,0,0|3,0,0]=4 5801 B13R0.179 CC(=O)NCCCCNCCC(C)O 34a_200011368371_100012276601 [0,1,0,0,0,0|3,0,0]=4 5802 B13R0.179 CC(=O)NCCCNCCCC(C)C 34a_100000736810_100011214892 [0,1,0,0,0,0|3,0,0]=4 5803 B13R0.179 CC(=O)NCCCNCCCC(C)O 34a_100000736810_200000718107 [0,1,0,0,0,0|3,0,0]=4 5804 B13R0.179 CC(=O)NCCCOCCCC(C)C 34a_100000752032_100011214892 [0,1,0,0,0,0|3,0,0]=4 5805 B13R0.179 CC(=O)NCCCOCCCC(C)O 34a_100000752032_200000718107 [0,1,0,0,0,0|3,0,0]=4 5806 B13R0.179 CC(=O)NCCNCCCCC(C)C 2230a_100000209853_100011216152 [0,1,0,0,0,0|3,0,0]=4 5807 B13R0.179 CC(=O)NCCOCCCCC(C)C 34a_100000158858_100011216152 [0,1,0,0,0,0|3,0,0]=4 5808 B13R0.179 CC(=O)NCCOCCCCC(C)C 7a_100011214890_100000189650 [0,1,0,0,0,0|3,0,0]=4 5809 B13R0.179 CC(=O)NCCSCCCCC(C)C 62a_100000189650_100011216152 [0,1,0,0,0,0|3,0,0]=4 5810 B13R0.179 CC(=O)NCCSCCCCC(C)C 62a_100011216152_100000189650 [0,1,0,0,0,0|3,0,0]=4 5811 B13R0.179 CC(=O)OCCCCCNCC(=O)O 269956a_100016091260_100000033007 [0,1,0,0,0,0|2,0,1]=4 5812 B13R0.179 CC(=O)OCCCCCNCC(C)C 2230a_100000210953_100009813381 [0,1,0,0,0,0|3,0,0]=4 5813 B13R0.179 CC(=O)OCCCCCNCC(C)C 34a_100000210953_100000033007 [0,1,0,0,0,0|3,0,0]=4 5814 B13R0.179 CC(=O)OCCCCCNCC(C)O 2230a_100000210904_100009813381 [0,1,0,0,0,0|3,0,0]=4 5815 B13R0.179 CC(=O)OCCCCCNCC(C)O 34a_100000210904_100000033007 [0,1,0,0,0,0|3,0,0]=4 5816 B13R0.179 CC(=O)OCCCCCOCC(C)Br 34a_100012180447_100000033007 [0,1,0,0,0,0|3,0,0]=4 5817 B13R0.179 CC(=O)OCCCCCOCC(C)C 34a_100000210257_100000033007 [0,1,0,0,0,0|3,0,0]=4 5818 B13R0.179 CC(=O)OCCCCCOCC(C)F 34a_100015925927_100000033007 [0,1,0,0,0,0|3,0,0]=4 5819 B13R0.179 CC(=O)OCCCCCOC[C@@H](C)Cl 34a_100016084084_100000033007 [0,1,0,0,0,0|3,0,0]=4 5820 B13R0.179 CC(=O)OCCCCCOC[C@@H](C)N 34a_100000737577_100000033007 [0,1,0,0,0,0|3,0,0]=4 5821 B13R0.179 CC(=O)OCCCCCSCC(C)C 62a_100000033007_100000210760 [0,1,0,0,0,0|3,0,0]=4 5822 B13R0.179 CC(=O)OCCCCCSCC(C)C 62a_100000210624_100000033007 [0,1,0,0,0,0|3,0,0]=4 5823 B13R0.179 CC(=O)OCCCCCSCC(C)O 62a_100000033007_100011218427 [0,1,0,0,0,0|3,0,0]=4 5824 B13R0.179 CC(=O)OCCCCCSCC(C)O 62a_100011218427_100000033007 [0,1,0,0,0,0|3,0,0]=4 5825 B13R0.179 CC(=O)OCCCCCSC[C@@H](C)O 62a_100000033007_100009817552 [0,1,0,0,0,0|3,0,0]=4 5826 B13R0.179 CC(=O)OCCCCCSC[C@@H](C)O 62a_100009817552_100000033007 [0,1,0,0,0,0|3,0,0]=4 5827 B13R0.179 CC(=O)OCCCCOCCC(C)Br 34a_100009893172_100000033659 [0,1,0,0,0,0|3,0,0]=4 5828 B13R0.179 CC(=O)OCCCCOCCC(C)C 34a_100000073216_100000210312 [0,1,0,0,0,0|3,0,0]=4 5829 B13R0.179 CC(=O)OCCCCOCCC(C)C 34a_100000210254_100000033659 [0,1,0,0,0,0|3,0,0]=4 5830 B13R0.179 CC(=O)OCCCCOCCC(C)C 7a_100000073216_100000210626 [0,1,0,0,0,0|3,0,0]=4 5831 B13R0.179 CC(=O)OCCCCOCCC(C)C 7a_100000210254_100000033659 [0,1,0,0,0,0|3,0,0]=4 5832 B13R0.179 CC(=O)OCCCCOCCC(C)O 34a_100000073216_100012276601 [0,1,0,0,0,0|3,0,0]=4 5833 B13R0.179 CC(=O)OCCCCOCCC(C)O 7a_100000073216_100012276601 [0,1,0,0,0,0|3,0,0]=4 5834 B13R0.179 CC(=O)OCCCCOCC[C@@H](C)N 34a_100000706166_100000033659 [0,1,0,0,0,0|3,0,0]=4 5835 B13R0.179 CC(=O)OCCCCSCCC(C)C 62a_100000033659_100000210312 [0,1,0,0,0,0|3,0,0]=4 5836 B13R0.179 CC(=O)OCCCCSCCC(C)C 62a_100000210312_100000033659 [0,1,0,0,0,0|3,0,0]=4 5837 B13R0.179 CC(=O)OCCCCSCCC(C)O 62a_100000033659_100012276601 [0,1,0,0,0,0|3,0,0]=4 5838 B13R0.179 CC(=O)OCCCCSCCC(C)O 62a_100012276601_100000033659 [0,1,0,0,0,0|3,0,0]=4 5839 B13R0.179 CC(=O)OCCCNCCCC(C)C 34a_200000737386_100000042594 [0,1,0,0,0,0|3,0,0]=4 5840 B13R0.179 CC(=O)OCCCOCCCC(C)C 34a_100000210774_100000042594 [0,1,0,0,0,0|3,0,0]=4 5841 B13R0.179 CC(=O)OCCCOCCCC(C)C 7a_100000210774_100000042594 [0,1,0,0,0,0|3,0,0]=4 5842 B13R0.179 CC(=O)OCCCSCCCC(C)C 62a_100000042594_100011214892 [0,1,0,0,0,0|3,0,0]=4 5843 B13R0.179 CC(=O)OCCCSCCCC(C)C 62a_100011214892_100000042594 [0,1,0,0,0,0|3,0,0]=4 5844 B13R0.179 CC(=O)OCCCSCCCC(C)O 62a_100000042594_200000718107 [0,1,0,0,0,0|3,0,0]=4 5845 B13R0.179 CC(=O)OCCCSCCCC(C)O 62a_200000718107_100000042594 [0,1,0,0,0,0|3,0,0]=4 5846 B13R0.179 CC(=O)OCCOCCCCC(C)C 34a_100011214890_100009814007 [0,1,0,0,0,0|3,0,0]=4 5847 B13R0.179 CC(=O)OCCOCCCCC(C)C 7a_100011214890_100009814007 [0,1,0,0,0,0|3,0,0]=4 5848 B13R0.179 CC(=O)OCCSCCCCC(C)C 62a_100009814007_100011216152 [0,1,0,0,0,0|3,0,0]=4 5849 B13R0.179 CC(=O)OCCSCCCCC(C)C 62a_100011216152_100009814007 [0,1,0,0,0,0|3,0,0]=4 5850 B13R0.179 CC(=O)OCNCCCCCC(C)C 34a_100011290863_100009813279 [0,1,0,0,0,0|3,0,0]=4 5851 B13R0.179 CC(=O)OCOCCCCCC(C)C 34a_100011995859_100009813279 [0,1,0,0,0,0|3,0,0]=4 5852 B13R0.179 CC(=O)OCSCCCCCC(C)C 62a_100000076356_100000210682 [0,1,0,0,0,0|3,0,0]=4 5853 B13R0.179 CC(=O)OCSCCCCCC(C)C 62a_100000210682_100000076356 [0,1,0,0,0,0|3,0,0]=4 5854 B13R0.179 CC(=O)SCCCCNCCC(C)O 2230a_200000755665_200010402107 [0,1,0,0,0,0|3,0,0]=4 5855 B13R0.179 CC(=O)SCCCCOCCC(C)Br 34a_100009893172_200010402107 [0,1,0,0,0,0|3,0,0]=4 5856 B13R0.179 CC(=O)SCCCCOCCC(C)C 34a_100000210254_200010402107 [0,1,0,0,0,0|3,0,0]=4 5857 B13R0.179 CC(=O)SCCCCOCCC(C)C 7a_100000210254_200010402107 [0,1,0,0,0,0|3,0,0]=4 5858 B13R0.179 CC(=O)SCCCCOCC[C@@H](C)N 34a_100000706166_200010402107 [0,1,0,0,0,0|3,0,0]=4 5859 B13R0.179 CC(=O)SCCCCSCCC(C)C 62a_100000210312_200010402107 [0,1,0,0,0,0|3,0,0]=4 5860 B13R0.179 CC(=O)SCCCCSCCC(C)C 62a_200010402107_100000210312 [0,1,0,0,0,0|3,0,0]=4 5861 B13R0.179 CC(=O)SCCCCSCCC(C)O 62a_100012276601_200010402107 [0,1,0,0,0,0|3,0,0]=4 5862 B13R0.179 CC(=O)SCCCCSCCC(C)O 62a_200010402107_100012276601 [0,1,0,0,0,0|3,0,0]=4 5863 B13R0.179 CC(=O)SCCCNCCCC(C)C 2230a_200000737386_100000038929 [0,1,0,0,0,0|3,0,0]=4 5864 B13R0.179 CC(=O)SCCCNCCCC(C)C 34a_200000737386_100000038929 [0,1,0,0,0,0|3,0,0]=4 5865 B13R0.179 CC(=O)SCCCOCCCC(C)C 34a_100000210774_100000038929 [0,1,0,0,0,0|3,0,0]=4 5866 B13R0.179 CC(=O)SCCCOCCCC(C)C 7a_100000210774_100000038929 [0,1,0,0,0,0|3,0,0]=4 5867 B13R0.179 CC(=O)SCCCSCCCC(C)C 62a_100000038929_100011214892 [0,1,0,0,0,0|3,0,0]=4 5868 B13R0.179 CC(=O)SCCCSCCCC(C)C 62a_100011214892_100000038929 [0,1,0,0,0,0|3,0,0]=4 5869 B13R0.179 CC(=O)SCCCSCCCC(C)O 62a_100000038929_200000718107 [0,1,0,0,0,0|3,0,0]=4 5870 B13R0.179 CC(=O)SCCCSCCCC(C)O 62a_200000718107_100000038929 [0,1,0,0,0,0|3,0,0]=4 5871 B13R0.179 CC(Br)CCOCCCCCB(O)O 34a_100009893172_200009817188 [0,1,0,0,0,0|2,0,1]=4 5872 B13R0.179 CC(Br)CCOCCCCCC(=O)N 34a_100009893172_100009817443 [0,1,0,0,0,0|2,0,0]=3 5873 B13R0.179 CC(Br)COCCCCCCB(O)O 34a_100012180447_100009817187 [0,1,0,0,0,0|2,0,1]=4 5874 B13R0.179 CC(C)CCCCCCNCC(=O)N 2230a_100000211014_100000747473 [0,1,0,0,0,0|2,0,0]=3 5875 B13R0.179 CC(C)CCCCCCNCC(=O)N 34a_100000211014_100000187820 [0,1,0,0,0,0|2,0,0]=3 5876 B13R0.179 CC(C)CCCCCCNCC(=O)[O-] 34a_100000211014_100020667443 [0,1,0,0,0,0|1,0,1]=3 5877 B13R0.179 CC(C)CCCCCCNCC(C)O 2230a_100000211014_100011218427 [0,1,0,0,0,0|2,0,1]=4 5878 B13R0.179 CC(C)CCCCCCNCC(C)O 34a_100000211014_100011218427 [0,1,0,0,0,0|2,0,1]=4 5879 B13R0.179 CC(C)CCCCCCNC[C@@H](C)O 2230a_100000211014_100009817552 [0,1,0,0,0,0|2,0,1]=4 5880 B13R0.179 CC(C)CCCCCCNC[C@@H](C)O 34a_100000211014_100009817552 [0,1,0,0,0,0|2,0,1]=4 5881 B13R0.179 CC(C)CCCCCCNC[N+](=O)[O-] 34a_100000211014_100000761209 [0,1,0,0,0,0|2,0,1]=4 5882 B13R0.179 CC(C)CCCCCNCCC(=O)N 2230a_100011290863_100000744528 [0,1,0,0,0,0|2,0,0]=3 5883 B13R0.179 CC(C)CCCCCNCCC(=O)N 34a_100011290863_100000731001 [0,1,0,0,0,0|2,0,0]=3 5884 B13R0.179 CC(C)CCCCCNCCC(C)O 2230a_100011290863_100012276601 [0,1,0,0,0,0|2,0,1]=4 5885 B13R0.179 CC(C)CCCCCNCCC(C)O 2230a_200000755665_100000210682 [0,1,0,0,0,0|2,0,1]=4 5886 B13R0.179 CC(C)CCCCCNCCC(C)O 34a_100011290863_100012276601 [0,1,0,0,0,0|2,0,1]=4 5887 B13R0.179 CC(C)CCCCCNOCC(=O)O 269956a_100000106656_100000210682 [0,1,0,0,0,0|2,0,0]=3 5888 B13R0.179 CC(C)CCCCCOCCC(=O)N 34a_100000757172_100000210682 [0,1,0,0,0,0|2,0,0]=3 5889 B13R0.179 CC(C)CCCCCOCCC(=O)N 34a_100011995859_100000731001 [0,1,0,0,0,0|2,0,0]=3 5890 B13R0.179 CC(C)CCCCCOCCC(=O)N 7a_100000757172_100000210682 [0,1,0,0,0,0|2,0,0]=3 5891 B13R0.179 CC(C)CCCCCOCCC(=O)N 7a_100011995859_100000744528 [0,1,0,0,0,0|2,0,0]=3 5892 B13R0.179 CC(C)CCCCCOCCC(C)O 34a_100011995859_100012276601 [0,1,0,0,0,0|2,0,1]=4 5893 B13R0.179 CC(C)CCCCCOCCC(C)O 7a_100011995859_100012276601 [0,1,0,0,0,0|2,0,1]=4 5894 B13R0.179 CC(C)CCCCCSCCC(=O)N 62a_100000210682_100000744528 [0,1,0,0,0,0|2,0,0]=3 5895 B13R0.179 CC(C)CCCCCSCCC(=O)N 62a_100000744528_100000210682 [0,1,0,0,0,0|2,0,0]=3 5896 B13R0.179 CC(C)CCCCCSCCC(C)O 62a_100000210682_100012276601 [0,1,0,0,0,0|2,0,1]=4 5897 B13R0.179 CC(C)CCCCCSCCC(C)O 62a_100012276601_100000210682 [0,1,0,0,0,0|2,0,1]=4 5898 B13R0.179 CC(C)CCCCNCCCC(=O)N 34a_100000739312_100011216152 [0,1,0,0,0,0|2,0,0]=3 5899 B13R0.179 CC(C)CCCCNCCCS(=O)C 2230a_200000753449_100011216152 [0,1,0,0,0,0|3,0,0]=4 5900 B13R0.179 CC(C)CCCCNCCNC(=O)N 34a_100020590234_100011216152 [0,1,0,0,0,0|3,0,0]=4 5901 B13R0.179 CC(C)CCCCOCCCC(=O)N 34a_100011214890_100102525003 [0,1,0,0,0,0|2,0,0]=3 5902 B13R0.179 CC(C)CCCCOCCCC(=O)N 7a_100011214890_100102525003 [0,1,0,0,0,0|2,0,0]=3 5903 B13R0.179 CC(C)CCCCOCCCC(C)O 34a_100011214890_200000718107 [0,1,0,0,0,0|2,0,1]=4 5904 B13R0.179 CC(C)CCCCOCCCC(C)O 7a_100011214890_200000718107 [0,1,0,0,0,0|2,0,1]=4 5905 B13R0.179 CC(C)CCCCOCCC[N+](=O)[O-] 34a_200000037920_100011216152 [0,1,0,0,0,0|2,0,1]=4 5906 B13R0.179 CC(C)CCCCOCCNC(=O)N 34a_100000181757_100011216152 [0,1,0,0,0,0|3,0,0]=4 5907 B13R0.179 CC(C)CCCCOCCNC(=O)N 7a_100011214890_200000034859 [0,1,0,0,0,0|3,0,0]=4 5908 B13R0.179 CC(C)CCCCOCCOC(=O)N 34a_100011214890_200011214921 [0,1,0,0,0,0|3,0,0]=4 5909 B13R0.179 CC(C)CCCCOCCOC(=O)N 7a_100000766696_100011216152 [0,1,0,0,0,0|3,0,0]=4 5910 B13R0.179 CC(C)CCCCOCCOC(=O)N 7a_100011214890_200011214921 [0,1,0,0,0,0|3,0,0]=4 5911 B13R0.179 CC(C)CCCCSCCCC(=O)N 62a_100011216152_100102525003 [0,1,0,0,0,0|2,0,0]=3 5912 B13R0.179 CC(C)CCCCSCCCC(=O)N 62a_100102525003_100011216152 [0,1,0,0,0,0|2,0,0]=3 5913 B13R0.179 CC(C)CCCCSCCCC(C)O 62a_100011216152_200000718107 [0,1,0,0,0,0|2,0,1]=4 5914 B13R0.179 CC(C)CCCCSCCCC(C)O 62a_200000718107_100011216152 [0,1,0,0,0,0|2,0,1]=4 5915 B13R0.179 CC(C)CCCCSCCNC(=O)N 62a_100011216152_200000034859 [0,1,0,0,0,0|3,0,0]=4 5916 B13R0.179 CC(C)CCCCSCCNC(=O)N 62a_200000034859_100011216152 [0,1,0,0,0,0|3,0,0]=4 5917 B13R0.179 CC(C)CCCCSCCOC(=O)N 62a_100011216152_200011214921 [0,1,0,0,0,0|3,0,0]=4 5918 B13R0.179 CC(C)CCCCSCCOC(=O)N 62a_200011214921_100011216152 [0,1,0,0,0,0|3,0,0]=4 5919 B13R0.179 CC(C)CCCNCCCCB(O)O 2230a_200000737386_200009817182 [0,1,0,0,0,0|2,0,1]=4 5920 B13R0.179 CC(C)CCCNCCCCB(O)O 34a_200000737386_200009817182 [0,1,0,0,0,0|2,0,1]=4 5921 B13R0.179 CC(C)CCCNCCCCC(=O)N 34a_100000696515_100011214892 [0,1,0,0,0,0|2,0,0]=3 5922 B13R0.179 CC(C)CCCNCCOCC(=O)N 2230a_200000737386_100000076697 [0,1,0,0,0,0|3,0,0]=4 5923 B13R0.179 CC(C)CCCNCCOCC(=O)N 34a_200000737386_100000076697 [0,1,0,0,0,0|3,0,0]=4 5924 B13R0.179 CC(C)CCCNCCOCC(=O)O 269956a_100000700818_100011214892 [0,1,0,0,0,0|2,0,0]=3 5925 B13R0.179 CC(C)CCCOCCCCB(O)O 34a_100000210774_200009817182 [0,1,0,0,0,0|2,0,1]=4 5926 B13R0.179 CC(C)CCCOCCCCB(O)O 7a_100000210774_200009817182 [0,1,0,0,0,0|2,0,1]=4 5927 B13R0.179 CC(C)CCCOCCCCC(=O)N 34a_100012022536_100011214892 [0,1,0,0,0,0|2,0,0]=3 5928 B13R0.179 CC(C)CCCOCCCCC(=O)N 7a_100012022536_100011214892 [0,1,0,0,0,0|2,0,0]=3 5929 B13R0.179 CC(C)CCCOCCCC[N+](=O)[O-] 34a_200015379883_100011214892 [0,1,0,0,0,0|2,0,1]=4 5930 B13R0.179 CC(C)CCCOCCCC[N+](=O)[O-] 7a_200015379883_100011214892 [0,1,0,0,0,0|2,0,1]=4 5931 B13R0.179 CC(C)CCCOCCOCC(=O)N 34a_100000210774_100000076697 [0,1,0,0,0,0|3,0,0]=4 5932 B13R0.179 CC(C)CCCOCCOCC(=O)N 7a_100000210774_100000076697 [0,1,0,0,0,0|3,0,0]=4 5933 B13R0.179 CC(C)CCCSCCCCB(O)O 62a_100011214892_200009817182 [0,1,0,0,0,0|2,0,1]=4 5934 B13R0.179 CC(C)CCCSCCCCB(O)O 62a_200009817182_100011214892 [0,1,0,0,0,0|2,0,1]=4 5935 B13R0.179 CC(C)CCCSCCOCC(=O)N 62a_100000076697_100011214892 [0,1,0,0,0,0|3,0,0]=4 5936 B13R0.179 CC(C)CCCSCCOCC(=O)N 62a_100011214892_100000076697 [0,1,0,0,0,0|3,0,0]=4 5937 B13R0.179 CC(C)CCOCCCCCB(O)O 34a_100000210254_200009817188 [0,1,0,0,0,0|2,0,1]=4 5938 B13R0.179 CC(C)CCOCCCCCB(O)O 7a_100000210254_200009817188 [0,1,0,0,0,0|2,0,1]=4 5939 B13R0.179 CC(C)CCOCCCCCC(=O)N 34a_100000123541_100000210312 [0,1,0,0,0,0|2,0,0]=3 5940 B13R0.179 CC(C)CCOCCCCCC(=O)N 34a_100000210254_100009817443 [0,1,0,0,0,0|2,0,0]=3 5941 B13R0.179 CC(C)CCOCCCCCC(=O)N 7a_100000123541_100000210626 [0,1,0,0,0,0|2,0,0]=3 5942 B13R0.179 CC(C)CCOCCCCCC(=O)N 7a_100000210254_100009817443 [0,1,0,0,0,0|2,0,0]=3 5943 B13R0.179 CC(C)CCOCCCCCC(=O)[O-] 7a_100102619762_100000210626 [0,1,0,0,0,0|1,0,1]=3 5944 B13R0.179 CC(C)CCSCCCCCB(O)O 62a_100000210312_200009817188 [0,1,0,0,0,0|2,0,1]=4 5945 B13R0.179 CC(C)CCSCCCCCB(O)O 62a_200009817188_100000210312 [0,1,0,0,0,0|2,0,1]=4 5946 B13R0.179 CC(C)CCSCCCCCC(=O)N 62a_100000210312_100009817443 [0,1,0,0,0,0|2,0,0]=3 5947 B13R0.179 CC(C)CCSCCCCCC(=O)N 62a_100009817443_100000210312 [0,1,0,0,0,0|2,0,0]=3 5948 B13R0.179 CC(C)CNCCCCCCB(O)O 2230a_100000210953_100009817187 [0,1,0,0,0,0|2,0,1]=4 5949 B13R0.179 CC(C)CNCCCCCCB(O)O 34a_100000210953_100009817187 [0,1,0,0,0,0|2,0,1]=4 5950 B13R0.179 CC(C)CNCCOCCCC(=O)N 34a_100015185251_100102525003 [0,1,0,0,0,0|3,0,0]=4 5951 B13R0.179 CC(C)COCCCCCCB(O)O 34a_100000210257_100009817187 [0,1,0,0,0,0|2,0,1]=4 5952 B13R0.179 CC(C)COCCCNCCC(=O)N 2230a_100000205972_100000744528 [0,1,0,0,0,0|3,0,0]=4 5953 B13R0.179 CC(C)COCCCNCCC(=O)N 34a_100000205972_100000731001 [0,1,0,0,0,0|3,0,0]=4 5954 B13R0.179 CC(C)COCCOCCCC(=O)N 34a_100000703358_100102525003 [0,1,0,0,0,0|3,0,0]=4 5955 B13R0.179 CC(C)COCCOCCCC(=O)N 7a_100000703358_100102525003 [0,1,0,0,0,0|3,0,0]=4 5956 B13R0.179 CC(C)CSCCCCCCB(O)O 62a_100000210624_100009817187 [0,1,0,0,0,0|2,0,1]=4 5957 B13R0.179 CC(C)CSCCCCCCB(O)O 62a_100009817187_100000210760 [0,1,0,0,0,0|2,0,1]=4 5958 B13R0.179 CC(C)CSCCOCCCC(=O)N 34a_200000230437_100102525003 [0,1,0,0,0,0|3,0,0]=4 5959 B13R0.179 CC(C)CSCCOCCCC(=O)N 7a_200000230437_100102525003 [0,1,0,0,0,0|3,0,0]=4 5960 B13R0.179 CC(C)NCCCCCOCC(=O)N 34a_100011629493_100000187820 [0,1,0,0,0,0|3,0,0]=4 5961 B13R0.179 CC(C)NCCCCCOCC(=O)[O-] 34a_100011629493_100020667443 [0,1,0,0,0,0|2,0,1]=4 5962 B13R0.179 CC(C)NCCCCOCCC(=O)N 34a_100011521146_100000731001 [0,1,0,0,0,0|3,0,0]=4 5963 B13R0.179 CC(C)NCCCOCCCC(=O)N 34a_100000182298_100102525003 [0,1,0,0,0,0|3,0,0]=4 5964 B13R0.179 CC(C)NCCOCCOCC(=O)O 269956a_100009854275_100000210206 [0,1,0,0,0,0|3,0,0]=4 5965 B13R0.179 CC(C)OCCCNCCCC(=O)N 34a_100000737246_100102525003 [0,1,0,0,0,0|3,0,0]=4 5966 B13R0.179 CC(C)OCCNCCCCC(=O)N 34a_100000696515_100000211751 [0,1,0,0,0,0|3,0,0]=4 5967 B13R0.179 CC(C)OCCNCCOCC(=O)O 269956a_100000700818_100000211751 [0,1,0,0,0,0|3,0,0]=4 5968 B13R0.179 CC(C)OCCOCCCCC(=O)N 34a_100012022536_100000211751 [0,1,0,0,0,0|3,0,0]=4 5969 B13R0.179 CC(C)OCCOCCCCC(=O)N 7a_100012022536_100000211751 [0,1,0,0,0,0|3,0,0]=4 5970 B13R0.179 CC(C)OCOCCCCCC(=O)N 34a_100000123541_100000709892 [0,1,0,0,0,0|3,0,0]=4 5971 B13R0.179 CC(C)OCSCCCCCC(=O)N 62a_100000709892_100009817443 [0,1,0,0,0,0|3,0,0]=4 5972 B13R0.179 CC(C)OCSCCCCCC(=O)N 62a_100009817443_100000709892 [0,1,0,0,0,0|3,0,0]=4 5973 B13R0.179 CC(C)SCCNCCCCC(=O)N 34a_100000696515_100000730970 [0,1,0,0,0,0|3,0,0]=4 5974 B13R0.179 CC(C)SCCNCCOCC(=O)O 269956a_100000700818_100000730970 [0,1,0,0,0,0|3,0,0]=4 5975 B13R0.179 CC(C)SCCOCCCCC(=O)N 34a_100012022536_100000730970 [0,1,0,0,0,0|3,0,0]=4 5976 B13R0.179 CC(C)SCCOCCCCC(=O)N 7a_100012022536_100000730970 [0,1,0,0,0,0|3,0,0]=4 5977 B13R0.179 CC(F)COCCCCCCB(O)O 34a_100015925927_100009817187 [0,1,0,0,0,0|2,0,1]=4 5978 B13R0.179 CC(O)CCCNCCCCC(=O)N 34a_100000696515_200000718107 [0,1,0,0,0,0|2,0,0]=3 5979 B13R0.179 CC(O)CCCNCCOCC(=O)O 269956a_100000700818_200000718107 [0,1,0,0,0,0|2,0,0]=3 5980 B13R0.179 CC(O)CCCOCCCCC(=O)N 34a_100012022536_200000718107 [0,1,0,0,0,0|2,0,0]=3 5981 B13R0.179 CC(O)CCCOCCCCC(=O)N 7a_100012022536_200000718107 [0,1,0,0,0,0|2,0,0]=3 5982 B13R0.179 CC(O)CCCOCCCC[N+](=O)[O-] 34a_200015379883_200000718107 [0,1,0,0,0,0|2,0,1]=4 5983 B13R0.179 CC(O)CCCOCCCC[N+](=O)[O-] 7a_200015379883_200000718107 [0,1,0,0,0,0|2,0,1]=4 5984 B13R0.179 CC(O)CCCSCCCCB(O)O 62a_200000718107_200009817182 [0,1,0,0,0,0|2,0,1]=4 5985 B13R0.179 CC(O)CCCSCCCCB(O)O 62a_200009817182_200000718107 [0,1,0,0,0,0|2,0,1]=4 5986 B13R0.179 CC(O)CCCSCCOCC(=O)N 62a_100000076697_200000718107 [0,1,0,0,0,0|3,0,0]=4 5987 B13R0.179 CC(O)CCCSCCOCC(=O)N 62a_200000718107_100000076697 [0,1,0,0,0,0|3,0,0]=4 5988 B13R0.179 CC(O)CCNCCCCCB(O)O 2230a_200000755665_200009817188 [0,1,0,0,0,0|2,0,1]=4 5989 B13R0.179 CC(O)CCNCCCCCC(=O)N 2230a_200000755665_100009817443 [0,1,0,0,0,0|2,0,0]=3 5990 B13R0.179 CC(O)CCOCCCCCC(=O)N 34a_100000123541_100012276601 [0,1,0,0,0,0|2,0,0]=3 5991 B13R0.179 CC(O)CCOCCCCCC(=O)N 7a_100000123541_100012276601 [0,1,0,0,0,0|2,0,0]=3 5992 B13R0.179 CC(O)CCOCCCCCC(=O)[O-] 7a_100102619762_100012276601 [0,1,0,0,0,0|1,0,1]=3 5993 B13R0.179 CC(O)CCSCCCCCB(O)O 62a_100012276601_200009817188 [0,1,0,0,0,0|2,0,1]=4 5994 B13R0.179 CC(O)CCSCCCCCB(O)O 62a_200009817188_100012276601 [0,1,0,0,0,0|2,0,1]=4 5995 B13R0.179 CC(O)CCSCCCCCC(=O)N 62a_100009817443_100012276601 [0,1,0,0,0,0|2,0,0]=3 5996 B13R0.179 CC(O)CCSCCCCCC(=O)N 62a_100012276601_100009817443 [0,1,0,0,0,0|2,0,0]=3 5997 B13R0.179 CC(O)CNCCCCCCB(O)O 2230a_100000210904_100009817187 [0,1,0,0,0,0|2,0,1]=4 5998 B13R0.179 CC(O)CNCCCCCCB(O)O 34a_100000210904_100009817187 [0,1,0,0,0,0|2,0,1]=4 5999 B13R0.179 CC(O)CSCCCCCCB(O)O 62a_100009817187_100011218427 [0,1,0,0,0,0|2,0,1]=4 6000 B13R0.179 CC(O)CSCCCCCCB(O)O 62a_100011218427_100009817187 [0,1,0,0,0,0|2,0,1]=4 6001 B13R0.179 CN(C)CCCCSCCCC(=O)N 62a_100102525003_100000690147 [0,1,0,0,0,0|3,0,0]=4 6002 B13R0.179 CN(C)CCCNCCOCC(=O)O 269956a_100000700818_100000757444 [0,1,0,0,0,0|3,0,0]=4 6003 B13R0.179 CN(C)CCCOCCCCC(=O)N 7a_100012022536_100000757444 [0,1,0,0,0,0|3,0,0]=4 6004 B13R0.179 CN(C)CCOCCCCCC(=O)N 7a_100000123541_100000755713 [0,1,0,0,0,0|3,0,0]=4 6005 B13R0.179 CN(C)CCOCCCCCC(=O)[O-] 7a_100102619762_100000755713 [0,1,0,0,0,0|2,0,1]=4 6006 B13R0.179 CN(C)CCSCCCCCC(=O)N 62a_100009817443_100000755713 [0,1,0,0,0,0|3,0,0]=4 6007 B13R0.179 C[C@@H](Cl)COCCCCCCB(O)O 34a_100016084084_100009817187 [0,1,0,0,0,0|2,0,1]=4 6008 B13R0.179 C[C@@H](N)CCOCCCCCB(O)O 34a_100000706166_200009817188 [0,1,0,0,0,0|2,0,1]=4 6009 B13R0.179 C[C@@H](N)CCOCCCCCC(=O)N 34a_100000706166_100009817443 [0,1,0,0,0,0|2,0,0]=3 6010 B13R0.179 C[C@@H](N)COCCCCCCB(O)O 34a_100000737577_100009817187 [0,1,0,0,0,0|2,0,1]=4 6011 B13R0.179 C[C@@H](O)CSCCCCCCB(O)O 62a_100009817187_100009817552 [0,1,0,0,0,0|2,0,1]=4 6012 B13R0.179 C[C@@H](O)CSCCCCCCB(O)O 62a_100009817552_100009817187 [0,1,0,0,0,0|2,0,1]=4 6013 B13R0.179 NC(=O)CCCCCOCCC(F)F 34a_100103093639_100009817443 [0,1,0,0,0,0|3,0,0]=4 6014 B13R0.179 O=C(O)CNCCCCCCB(O)O 269956a_100016091260_100009817187 [0,1,0,0,0,0|3,0,0]=4 6015 B13R0.188 CC(=O)CCCCC(=O)CCCCO 1458a_100000695505_100000735457 [0,1,0,0,0,0|2,0,1]=4 6016 B13R0.188 CC(=O)CCCCN(C)CCCCO 269982a_100000717598_100000735457 [0,1,0,0,0,0|3,0,0]=4 6017 B13R0.188 CCCCCC(=O)CCCCB(O)O 1458a_100000212188_200009817182 [0,1,0,0,0,0|1,0,2]=4 6018 B13R0.188 CCCCCC(=O)CCCCC(=O)C 1458a_100000212188_100000735457 [0,1,0,0,0,0|1,0,1]=3 6019 B13R0.188 CCCCCC(=O)CCCNC(=O)C 1458a_100000194741_100000210326 [0,1,0,0,0,0|2,0,1]=4 6020 B13R0.188 CCCCCC(=O)CCCOC(=O)C 1458a_100000212188_100000042594 [0,1,0,0,0,0|2,0,1]=4 6021 B13R0.188 CCCCCC(=O)CCCSC(=O)C 1458a_100000212188_100000038929 [0,1,0,0,0,0|2,0,1]=4 6022 B13R0.188 CCCCCC(=O)CCOCC(=O)N 1458a_100000212188_100000076697 [0,1,0,0,0,0|2,0,1]=4 6023 B13R0.188 CCCCCC(=O)CCSCC(=O)N 1458a_100000148550_100000210326 [0,1,0,0,0,0|2,0,1]=4 6024 B13R0.188 CCCCCC(=O)CNOCC(=O)O 269956a_100000106656_200012276598 [0,1,0,0,0,0|2,0,1]=4 6025 B13R0.188 CCCCCC(=O)COCCC(=O)C 34a_100000759926_200012276598 [0,1,0,0,0,0|2,0,1]=4 6026 B13R0.188 CCCCCC(=O)COCCC(=O)C 7a_100000759926_200012276598 [0,1,0,0,0,0|2,0,1]=4 6027 B13R0.188 CCCCCC(=O)COCCC(=O)N 34a_100000757172_200012276598 [0,1,0,0,0,0|2,0,1]=4 6028 B13R0.188 CCCCCC(=O)COCCC(=O)N 7a_100000757172_200012276598 [0,1,0,0,0,0|2,0,1]=4 6029 B13R0.188 CCCCCC(=O)CSCCC(=O)C 62a_100000053229_200012276598 [0,1,0,0,0,0|2,0,1]=4 6030 B13R0.188 CCCCCC(=O)CSCCC(=O)C 62a_200012276598_100000053229 [0,1,0,0,0,0|2,0,1]=4 6031 B13R0.188 CCCCCC(=O)CSCCC(=O)N 62a_100000744528_200012276598 [0,1,0,0,0,0|2,0,1]=4 6032 B13R0.188 CCCCCC(=O)CSCCC(=O)N 62a_200012276598_100000744528 [0,1,0,0,0,0|2,0,1]=4 6033 B13R0.188 CCCCCC(=O)NCCCC(=O)N 240690a_100000739312_100000212188 [0,1,0,0,0,0|2,0,1]=4 6034 B13R0.188 CCCCCC(=O)NCCCC(=O)N 527a_100000739312_100000212188 [0,1,0,0,0,0|2,0,1]=4 6035 B13R0.188 CCCCCC(C)NCCCC(=O)N 34a_100000739312_200011218191 [0,1,0,0,0,0|2,0,0]=3 6036 B13R0.188 CCCCCC(C)NCCCC(C)O 2230a_100000211957_200000718107 [0,1,0,0,0,0|2,0,1]=4 6037 B13R0.188 CCCCCC(C)NCCCS(=O)C 2230a_200000753449_200011218191 [0,1,0,0,0,0|3,0,0]=4 6038 B13R0.188 CCCCCC(C)NCCCS(=O)C 270004a_200000753449_100000211708 [0,1,0,0,0,0|3,0,0]=4 6039 B13R0.188 CCCCCC(C)NCCNC(=O)C 2230a_100000209853_200011218191 [0,1,0,0,0,0|3,0,0]=4 6040 B13R0.188 CCCCCC(C)NCCNC(=O)C 2230a_100000211957_100000189650 [0,1,0,0,0,0|3,0,0]=4 6041 B13R0.188 CCCCCC(C)NCCNC(=O)N 2230a_100000211957_200000034859 [0,1,0,0,0,0|3,0,0]=4 6042 B13R0.188 CCCCCC(C)NCCNC(=O)N 34a_100020590234_200011218191 [0,1,0,0,0,0|3,0,0]=4 6043 B13R0.188 CCCCCC(C)OCCCC(=O)C 34a_100000759063_200011218191 [0,1,0,0,0,0|2,0,0]=3 6044 B13R0.188 CCCCCC(C)OCCCC(=O)C 34a_100011215632_100000685027 [0,1,0,0,0,0|2,0,0]=3 6045 B13R0.188 CCCCCC(C)OCCCC(=O)C 7a_100000759063_200011218191 [0,1,0,0,0,0|2,0,0]=3 6046 B13R0.188 CCCCCC(C)OCCCC(=O)C 7a_100011215632_100011215641 [0,1,0,0,0,0|2,0,0]=3 6047 B13R0.188 CCCCCC(C)OCCCC(=O)N 34a_100011215632_100102525003 [0,1,0,0,0,0|2,0,0]=3 6048 B13R0.188 CCCCCC(C)OCCCC(=O)N 7a_100011215632_100102525003 [0,1,0,0,0,0|2,0,0]=3 6049 B13R0.188 CCCCCC(C)OCCCC(C)O 34a_100011215632_200000718107 [0,1,0,0,0,0|2,0,1]=4 6050 B13R0.188 CCCCCC(C)OCCCC(C)O 7a_100011215632_200000718107 [0,1,0,0,0,0|2,0,1]=4 6051 B13R0.188 CCCCCC(C)OCCC[N+](=O)[O-] 34a_200000037920_200011218191 [0,1,0,0,0,0|2,0,1]=4 6052 B13R0.188 CCCCCC(C)OCCNC(=O)C 34a_100000158858_200011218191 [0,1,0,0,0,0|3,0,0]=4 6053 B13R0.188 CCCCCC(C)OCCNC(=O)C 7a_100011215632_100000189650 [0,1,0,0,0,0|3,0,0]=4 6054 B13R0.188 CCCCCC(C)OCCNC(=O)N 34a_100000181757_200011218191 [0,1,0,0,0,0|3,0,0]=4 6055 B13R0.188 CCCCCC(C)OCCNC(=O)N 7a_100011215632_200000034859 [0,1,0,0,0,0|3,0,0]=4 6056 B13R0.188 CCCCCC(C)OCCOC(=O)C 34a_100011215632_100009814007 [0,1,0,0,0,0|3,0,0]=4 6057 B13R0.188 CCCCCC(C)OCCOC(=O)C 7a_100011215632_100009814007 [0,1,0,0,0,0|3,0,0]=4 6058 B13R0.188 CCCCCC(C)OCCOC(=O)N 34a_100011215632_200011214921 [0,1,0,0,0,0|3,0,0]=4 6059 B13R0.188 CCCCCC(C)OCCOC(=O)N 7a_100000766696_200011218191 [0,1,0,0,0,0|3,0,0]=4 6060 B13R0.188 CCCCCC(C)OCCOC(=O)N 7a_100011215632_200011214921 [0,1,0,0,0,0|3,0,0]=4 6061 B13R0.188 CCCCCC(C)SCCCC(=O)C 62a_100011215641_200011218191 [0,1,0,0,0,0|2,0,0]=3 6062 B13R0.188 CCCCCC(C)SCCCC(=O)C 62a_200011218191_100011215641 [0,1,0,0,0,0|2,0,0]=3 6063 B13R0.188 CCCCCC(C)SCCCC(=O)N 62a_100102525003_200011218191 [0,1,0,0,0,0|2,0,0]=3 6064 B13R0.188 CCCCCC(C)SCCCC(=O)N 62a_200011218191_100102525003 [0,1,0,0,0,0|2,0,0]=3 6065 B13R0.188 CCCCCC(C)SCCCC(C)O 62a_200000718107_200011218191 [0,1,0,0,0,0|2,0,1]=4 6066 B13R0.188 CCCCCC(C)SCCCC(C)O 62a_200011218191_200000718107 [0,1,0,0,0,0|2,0,1]=4 6067 B13R0.188 CCCCCC(C)SCCNC(=O)C 62a_100000189650_200011218191 [0,1,0,0,0,0|3,0,0]=4 6068 B13R0.188 CCCCCC(C)SCCNC(=O)C 62a_200011218191_100000189650 [0,1,0,0,0,0|3,0,0]=4 6069 B13R0.188 CCCCCC(C)SCCNC(=O)N 62a_200000034859_200011218191 [0,1,0,0,0,0|3,0,0]=4 6070 B13R0.188 CCCCCC(C)SCCNC(=O)N 62a_200011218191_200000034859 [0,1,0,0,0,0|3,0,0]=4 6071 B13R0.188 CCCCCC(C)SCCOC(=O)C 62a_100009814007_200011218191 [0,1,0,0,0,0|3,0,0]=4 6072 B13R0.188 CCCCCC(C)SCCOC(=O)C 62a_200011218191_100009814007 [0,1,0,0,0,0|3,0,0]=4 6073 B13R0.188 CCCCCC(C)SCCOC(=O)N 62a_200011214921_200011218191 [0,1,0,0,0,0|3,0,0]=4 6074 B13R0.188 CCCCCC(C)SCCOC(=O)N 62a_200011218191_200011214921 [0,1,0,0,0,0|3,0,0]=4 6075 B13R0.188 CCCCCN(C)CCCCB(O)O 2230a_100000223495_200009817182 [0,1,0,0,0,0|2,0,1]=4 6076 B13R0.188 CCCCCN(C)CCCCB(O)O 269982a_100000223495_200009817182 [0,1,0,0,0,0|2,0,1]=4 6077 B13R0.188 CCCCCN(C)CCCCC(=O)C 269982a_100000223495_100000735457 [0,1,0,0,0,0|2,0,0]=3 6078 B13R0.188 CCCCCN(C)CCCOC(=O)C 269982a_100000223495_100000042594 [0,1,0,0,0,0|3,0,0]=4 6079 B13R0.188 CCCCCN(C)CCCSC(=O)C 2230a_100000223495_100000038929 [0,1,0,0,0,0|3,0,0]=4 6080 B13R0.188 CCCCCN(C)CCCSC(=O)C 269982a_100000223495_100000038929 [0,1,0,0,0,0|3,0,0]=4 6081 B13R0.188 CCCCCN(C)CCOCC(=O)N 2230a_100000223495_100000076697 [0,1,0,0,0,0|3,0,0]=4 6082 B13R0.188 CCCCCN(C)CCOCC(=O)N 269982a_100000223495_100000076697 [0,1,0,0,0,0|3,0,0]=4 6083 B13R0.188 CCCOCC(=O)CCCCC(=O)C 1458a_100000745993_100000735457 [0,1,0,0,0,0|2,0,1]=4 6084 B13R0.188 CCCSCC(=O)CCCCC(=O)C 1458a_100000217233_100000735457 [0,1,0,0,0,0|2,0,1]=4 6085 B13R0.188 CCOCCC(=O)CCCCC(=O)C 1458a_100000749530_100000735457 [0,1,0,0,0,0|2,0,1]=4 6086 B13R0.188 CCSCCC(=O)CCCCC(=O)C 1458a_100000230768_100000735457 [0,1,0,0,0,0|2,0,1]=4 6087 B13R0.188 COCCCC(=O)CCCCC(=O)C 1458a_100000741012_100000735457 [0,1,0,0,0,0|2,0,1]=4 6088 B13R0.188 COCCCC(C)OCCCC(=O)C 34a_200011539412_100000685027 [0,1,0,0,0,0|3,0,0]=4 6089 B13R0.188 COCCCC(C)OCCCC(=O)C 7a_200011539412_100011215641 [0,1,0,0,0,0|3,0,0]=4 6090 B13R0.188 COCCCC(C)OCCCC(=O)N 34a_200011539412_100102525003 [0,1,0,0,0,0|3,0,0]=4 6091 B13R0.188 COCCCC(C)OCCCC(=O)N 7a_200011539412_100102525003 [0,1,0,0,0,0|3,0,0]=4 6092 B13R0.188 COCCCN(C)CCCCC(=O)C 269982a_100000224831_100000735457 [0,1,0,0,0,0|3,0,0]=4 6093 B13R0.188 CSCCCC(=O)CCCCC(=O)C 1458a_100000173376_100000735457 [0,1,0,0,0,0|2,0,1]=4 6094 B13R0.188 NCCCC[C@H](N)COCCC(=O)N 34a_100016993712_100000731001 [0,1,0,0,0,0|3,0,0]=4 6095 B13R0.202 C#CC(O)CCCCCNCC(=O)O 269956a_100016091260_200010408556 [0,1,0,0,0,0|1,0,2]=4 6096 B13R0.202 C=C(C)COCCCCCC(C)CC 7a_200000035636_100000748629 [0,1,0,0,0,0|3,0,0]=4 6097 B13R0.202 C=C(F)COCCCCCC(C)CC 7a_200000035636_100000042424 [0,1,0,0,0,0|3,0,0]=4 6098 B13R0.202 CC(=O)CCCCNCCC(C)CO 34a_106354213184_100009817362 [0,1,0,0,0,0|3,0,0]=4 6099 B13R0.202 CC(=O)CCCOCCC[C@@H](C)CN 34a_100160569302_100000685027 [0,1,0,0,0,0|3,0,0]=4 6100 B13R0.202 CC(CN)COCCCCCC(=O)N 34a_100000744482_100009817443 [0,1,0,0,0,0|3,0,0]=4 6101 B13R0.202 CC(CO)CNCCCCCC(=O)N 34a_100000744482_100009817443 [0,1,0,0,0,0|3,0,0]=4 6102 B13R0.202 CCC(=O)COCCCCCC(=O)N 34a_100000725409_100009817443 [0,1,0,0,0,0|2,0,1]=4 6103 B13R0.202 CCC(=O)COCCCCCC(=O)N 7a_100000123541_100000747405 [0,1,0,0,0,0|2,0,1]=4 6104 B13R0.202 CCC(=O)COCCCCCC(=O)[O-] 7a_100102619762_100000747405 [0,1,0,0,0,0|1,0,2]=4 6105 B13R0.202 CCC(=O)CSCCCCCC(=O)N 62a_100000747405_100009817443 [0,1,0,0,0,0|2,0,1]=4 6106 B13R0.202 CCC(=O)CSCCCCCC(=O)N 62a_100009817443_100000747405 [0,1,0,0,0,0|2,0,1]=4 6107 B13R0.202 CCC(C)CCCCCOCC(=O)N 7a_200000035636_100000187820 [0,1,0,0,0,0|2,0,0]=3 6108 B13R0.202 CCC(C)CCCCCOCC(C)O 7a_200000035636_100011218427 [0,1,0,0,0,0|2,0,1]=4 6109 B13R0.202 CCC(C)CCCCCOC[C@@H](C)O 7a_200000035636_100009817552 [0,1,0,0,0,0|2,0,1]=4 6110 B13R0.202 CCC(C)CCCOCCCC(=O)C 7a_100011216074_100011215641 [0,1,0,0,0,0|2,0,0]=3 6111 B13R0.202 CCC(C)CCCOCCCC(=O)N 7a_100011216074_100102525003 [0,1,0,0,0,0|2,0,0]=3 6112 B13R0.202 CCC(C)CCCOCCCC(C)O 7a_100011216074_200000718107 [0,1,0,0,0,0|2,0,1]=4 6113 B13R0.202 CCC(C)CCCOCCNC(=O)C 7a_100011216074_100000189650 [0,1,0,0,0,0|3,0,0]=4 6114 B13R0.202 CCC(C)CCCOCCNC(=O)N 7a_100011216074_200000034859 [0,1,0,0,0,0|3,0,0]=4 6115 B13R0.202 CCC(C)CCCOCCOC(=O)C 7a_100011216074_100009814007 [0,1,0,0,0,0|3,0,0]=4 6116 B13R0.202 CCC(C)CCCOCCOC(=O)N 7a_100011216074_200011214921 [0,1,0,0,0,0|3,0,0]=4 6117 B13R0.202 CCC(C)CCNCCCCB(O)O 2230a_100020591266_200009817182 [0,1,0,0,0,0|2,0,1]=4 6118 B13R0.202 CCC(C)CCNCCCSC(=O)C 2230a_100020591266_100000038929 [0,1,0,0,0,0|3,0,0]=4 6119 B13R0.202 CCC(C)CCNCCOCC(=O)N 2230a_100020591266_100000076697 [0,1,0,0,0,0|3,0,0]=4 6120 B13R0.202 CCC(C)CCOCCCCB(O)O 7a_100011215188_200009817182 [0,1,0,0,0,0|2,0,1]=4 6121 B13R0.202 CCC(C)CCOCCCCC(=O)C 7a_100011215188_100000735457 [0,1,0,0,0,0|2,0,0]=3 6122 B13R0.202 CCC(C)CCOCCCOC(=O)C 7a_100011215188_100000042594 [0,1,0,0,0,0|3,0,0]=4 6123 B13R0.202 CCC(C)CCOCCCSC(=O)C 7a_100011215188_100000038929 [0,1,0,0,0,0|3,0,0]=4 6124 B13R0.202 CCC(C)CCOCCOCC(=O)N 7a_100011215188_100000076697 [0,1,0,0,0,0|3,0,0]=4 6125 B13R0.202 CCC(C)CNCCCCCB(O)O 2230a_100020588543_200009817188 [0,1,0,0,0,0|2,0,1]=4 6126 B13R0.202 CCC(C)CNCCCCCC(=O)N 2230a_100020588543_100009817443 [0,1,0,0,0,0|2,0,0]=3 6127 B13R0.202 CCC(C)CNCCCCNC(=O)C 2230a_200011368371_100000748023 [0,1,0,0,0,0|3,0,0]=4 6128 B13R0.202 CCC(C)CNCCCCNC(=O)C 270004a_200011368371_100000243153 [0,1,0,0,0,0|3,0,0]=4 6129 B13R0.202 CCC(C)CNCCCCNC(=O)C 34a_200011368371_100000748023 [0,1,0,0,0,0|3,0,0]=4 6130 B13R0.202 CCC(C)CNCCCCSC(=O)C 2230a_100020588543_200010402107 [0,1,0,0,0,0|3,0,0]=4 6131 B13R0.202 CCC(C)COCCCCCC(=O)N 34a_100000123541_100000748023 [0,1,0,0,0,0|2,0,0]=3 6132 B13R0.202 CCC(C)COCCCCCC(=O)N 7a_100000123541_100000748023 [0,1,0,0,0,0|2,0,0]=3 6133 B13R0.202 CCC(C)COCCCCCC(=O)[O-] 7a_100102619762_100000748023 [0,1,0,0,0,0|1,0,1]=3 6134 B13R0.202 CCC(C)COCCCCOC(=O)C 34a_100000073216_100000748023 [0,1,0,0,0,0|3,0,0]=4 6135 B13R0.202 CCC(C)COCCCCOC(=O)C 7a_100000073216_100000748023 [0,1,0,0,0,0|3,0,0]=4 6136 B13R0.202 CCC(C)CSCCCCCB(O)O 62a_100000748023_200009817188 [0,1,0,0,0,0|2,0,1]=4 6137 B13R0.202 CCC(C)CSCCCCCB(O)O 62a_200009817188_100000748023 [0,1,0,0,0,0|2,0,1]=4 6138 B13R0.202 CCC(C)CSCCCCCC(=O)N 62a_100000748023_100009817443 [0,1,0,0,0,0|2,0,0]=3 6139 B13R0.202 CCC(C)CSCCCCCC(=O)N 62a_100009817443_100000748023 [0,1,0,0,0,0|2,0,0]=3 6140 B13R0.202 CCC(C)CSCCCCOC(=O)C 62a_100000033659_100000748023 [0,1,0,0,0,0|3,0,0]=4 6141 B13R0.202 CCC(C)CSCCCCOC(=O)C 62a_100000748023_100000033659 [0,1,0,0,0,0|3,0,0]=4 6142 B13R0.202 CCC(C)CSCCCCSC(=O)C 62a_100000748023_200010402107 [0,1,0,0,0,0|3,0,0]=4 6143 B13R0.202 CCC(C)CSCCCCSC(=O)C 62a_200010402107_100000748023 [0,1,0,0,0,0|3,0,0]=4 6144 B13R0.202 CCC(C)NCCCCCCB(O)O 2230a_100000209981_100009817187 [0,1,0,0,0,0|2,0,1]=4 6145 B13R0.202 CCC(C)NCCCCCNC(=O)C 2230a_200012022750_100000758301 [0,1,0,0,0,0|3,0,0]=4 6146 B13R0.202 CCC(C)NCCCCCNC(=O)C 34a_200012022750_100011215416 [0,1,0,0,0,0|3,0,0]=4 6147 B13R0.202 CCC(C)NCCCCCOC(=O)C 2230a_100000209981_100009813381 [0,1,0,0,0,0|3,0,0]=4 6148 B13R0.202 CCC(C)OCCCCCCB(O)O 7a_100000210228_100009817187 [0,1,0,0,0,0|2,0,1]=4 6149 B13R0.202 CCC(C)OCCCCCOC(=O)C 7a_100000210228_100000033007 [0,1,0,0,0,0|3,0,0]=4 6150 B13R0.202 CCC(C)SCCCCCCB(O)O 62a_100000758301_100009817187 [0,1,0,0,0,0|2,0,1]=4 6151 B13R0.202 CCC(C)SCCCCCCB(O)O 62a_100009817187_100000758301 [0,1,0,0,0,0|2,0,1]=4 6152 B13R0.202 CCC(C)SCCCCCOC(=O)C 62a_100000033007_100000758301 [0,1,0,0,0,0|3,0,0]=4 6153 B13R0.202 CCC(C)SCCCCCOC(=O)C 62a_100000758301_100000033007 [0,1,0,0,0,0|3,0,0]=4 6154 B13R0.202 CCC(O)CNCCCCCB(O)O 2230a_100011218483_200009817188 [0,1,0,0,0,0|2,0,1]=4 6155 B13R0.202 CCC(O)CNCCCCCC(=O)N 2230a_100011218483_100009817443 [0,1,0,0,0,0|2,0,0]=3 6156 B13R0.202 CCC(O)CNCCCCNC(=O)C 2230a_200011368371_100011218378 [0,1,0,0,0,0|3,0,0]=4 6157 B13R0.202 CCC(O)CNCCCCNC(=O)C 34a_200011368371_100011218378 [0,1,0,0,0,0|3,0,0]=4 6158 B13R0.202 CCC(O)CNCCCCSC(=O)C 2230a_100011218483_200010402107 [0,1,0,0,0,0|3,0,0]=4 6159 B13R0.202 CCC(O)COCCCCCC(=O)N 34a_100000123541_100011218378 [0,1,0,0,0,0|2,0,0]=3 6160 B13R0.202 CCC(O)COCCCCCC(=O)N 7a_100000123541_100011218378 [0,1,0,0,0,0|2,0,0]=3 6161 B13R0.202 CCC(O)COCCCCCC(=O)[O-] 7a_100102619762_100011218378 [0,1,0,0,0,0|1,0,1]=3 6162 B13R0.202 CCC(O)COCCCCOC(=O)C 34a_100000073216_100011218378 [0,1,0,0,0,0|3,0,0]=4 6163 B13R0.202 CCC(O)COCCCCOC(=O)C 7a_100000073216_100011218378 [0,1,0,0,0,0|3,0,0]=4 6164 B13R0.202 CCC(O)CSCCCCCB(O)O 62a_100011218378_200009817188 [0,1,0,0,0,0|2,0,1]=4 6165 B13R0.202 CCC(O)CSCCCCCB(O)O 62a_200009817188_100011218378 [0,1,0,0,0,0|2,0,1]=4 6166 B13R0.202 CCC(O)CSCCCCCC(=O)N 62a_100009817443_100011218378 [0,1,0,0,0,0|2,0,0]=3 6167 B13R0.202 CCC(O)CSCCCCCC(=O)N 62a_100011218378_100009817443 [0,1,0,0,0,0|2,0,0]=3 6168 B13R0.202 CCC(O)CSCCCCOC(=O)C 62a_100000033659_100011218378 [0,1,0,0,0,0|3,0,0]=4 6169 B13R0.202 CCC(O)CSCCCCOC(=O)C 62a_100011218378_100000033659 [0,1,0,0,0,0|3,0,0]=4 6170 B13R0.202 CCC(O)CSCCCCSC(=O)C 62a_100011218378_200010402107 [0,1,0,0,0,0|3,0,0]=4 6171 B13R0.202 CCC(O)CSCCCCSC(=O)C 62a_200010402107_100011218378 [0,1,0,0,0,0|3,0,0]=4 6172 B13R0.202 CCN(C)CCCOCCCC(=O)C 7a_100000759063_100015186262 [0,1,0,0,0,0|3,0,0]=4 6173 B13R0.202 CCN(C)CCCSCCCC(=O)C 62a_100011215641_100015186262 [0,1,0,0,0,0|3,0,0]=4 6174 B13R0.202 CCN(C)CCCSCCCC(=O)N 62a_100102525003_100015186262 [0,1,0,0,0,0|3,0,0]=4 6175 B13R0.202 CC[C@H](C)CNCCCCNC(=O)C 2230a_200011368371_100009816398 [0,1,0,0,0,0|3,0,0]=4 6176 B13R0.202 CC[C@H](C)CNCCCCNC(=O)C 34a_200011368371_100009816398 [0,1,0,0,0,0|3,0,0]=4 6177 B13R0.202 CC[C@H](C)COCCCCCB(O)O 7a_100009816381_200009817188 [0,1,0,0,0,0|2,0,1]=4 6178 B13R0.202 CC[C@H](C)COCCCCCC(=O)N 34a_100000123541_100009816398 [0,1,0,0,0,0|2,0,0]=3 6179 B13R0.202 CC[C@H](C)COCCCCCC(=O)N 7a_100000123541_100009816398 [0,1,0,0,0,0|2,0,0]=3 6180 B13R0.202 CC[C@H](C)COCCCCCC(=O)N 7a_100009816381_100009817443 [0,1,0,0,0,0|2,0,0]=3 6181 B13R0.202 CC[C@H](C)COCCCCCC(=O)[O-] 7a_100102619762_100009816398 [0,1,0,0,0,0|1,0,1]=3 6182 B13R0.202 CC[C@H](C)COCCCCOC(=O)C 34a_100000073216_100009816398 [0,1,0,0,0,0|3,0,0]=4 6183 B13R0.202 CC[C@H](C)COCCCCOC(=O)C 7a_100000073216_100009816398 [0,1,0,0,0,0|3,0,0]=4 6184 B13R0.202 CC[C@H](C)COCCCCOC(=O)C 7a_100009816381_100000033659 [0,1,0,0,0,0|3,0,0]=4 6185 B13R0.202 CC[C@H](C)COCCCCSC(=O)C 7a_100009816381_200010402107 [0,1,0,0,0,0|3,0,0]=4 6186 B13R0.202 CC[C@H](C)CSCCCCCB(O)O 62a_100009816398_200009817188 [0,1,0,0,0,0|2,0,1]=4 6187 B13R0.202 CC[C@H](C)CSCCCCCB(O)O 62a_200009817188_100009816398 [0,1,0,0,0,0|2,0,1]=4 6188 B13R0.202 CC[C@H](C)CSCCCCCC(=O)N 62a_100009816398_100009817443 [0,1,0,0,0,0|2,0,0]=3 6189 B13R0.202 CC[C@H](C)CSCCCCCC(=O)N 62a_100009817443_100009816398 [0,1,0,0,0,0|2,0,0]=3 6190 B13R0.202 CC[C@H](C)CSCCCCOC(=O)C 62a_100000033659_100009816398 [0,1,0,0,0,0|3,0,0]=4 6191 B13R0.202 CC[C@H](C)CSCCCCOC(=O)C 62a_100009816398_100000033659 [0,1,0,0,0,0|3,0,0]=4 6192 B13R0.202 CC[C@H](C)CSCCCCSC(=O)C 62a_100009816398_200010402107 [0,1,0,0,0,0|3,0,0]=4 6193 B13R0.202 CC[C@H](C)CSCCCCSC(=O)C 62a_200010402107_100009816398 [0,1,0,0,0,0|3,0,0]=4 6194 B13R0.202 COC(=O)CCCCCCCC(=O)C 1458a_100000033222_200000210301 [0,1,0,0,0,0|2,0,1]=4 6195 B13R0.202 COC(=O)CCCCCCCC(=O)C 1458a_100000070787_100010004213 [0,1,0,0,0,0|2,0,1]=4 6196 B13R0.202 COC(=O)CCCCCCCC(=O)[13CH3] 1458a_100000033222_200025704644 [0,1,0,0,0,0|2,0,1]=4 6197 B13R0.202 COC(=O)CCCCCNCC(=O)O 269956a_100016091260_100009816466 [0,1,0,0,0,0|2,0,1]=4 6198 B13R0.202 COC(C)CCOCCCCC(=O)C 7a_100000764861_100000735457 [0,1,0,0,0,0|3,0,0]=4 6199 B13R0.202 COC(C)COCCCCCC(=O)N 34a_100000690652_100009817443 [0,1,0,0,0,0|3,0,0]=4 6200 B13R0.202 CO[C@H](C)CNCCCCCC(=O)N 2230a_100020591295_100009817443 [0,1,0,0,0,0|3,0,0]=4 6201 B13R0.202 C[C@@H](CN)CCCOCCCC(=O)N 34a_100160569302_100102525003 [0,1,0,0,0,0|3,0,0]=4 6202 B13R0.202 C[C@@H](CO)COCCCCCC(=O)N 34a_100000123541_100000059175 [0,1,0,0,0,0|3,0,0]=4 6203 B13R0.202 C[C@@H](CO)COCCCCCC(=O)N 7a_100000123541_100000059175 [0,1,0,0,0,0|3,0,0]=4 6204 B13R0.202 C[C@@H](CO)COCCCCCC(=O)[O-] 7a_100102619762_100000059175 [0,1,0,0,0,0|2,0,1]=4 6205 B13R0.202 C[C@@H](CO)CSCCCCCC(=O)N 62a_100000059175_100009817443 [0,1,0,0,0,0|3,0,0]=4 6206 B13R0.202 C[C@@H](CO)CSCCCCCC(=O)N 62a_100009817443_100000059175 [0,1,0,0,0,0|3,0,0]=4 6207 B13R0.202 NC(=O)CCCCCNC[C@@H](F)CO 34a_100015665980_100009817443 [0,1,0,0,0,0|3,0,0]=4 6208 B13R0.202 NC(=O)CCCCCNC[C@H](O)CO 2230a_100020644852_100009817443 [0,1,0,0,0,0|3,0,0]=4 6209 B13R0.202 NC(=O)CCCCCOCC(Cl)CCl 34a_100000033668_100009817443 [0,1,0,0,0,0|3,0,0]=4 6210 B13R0.202 NC(=O)CCCCCOCC(O)CO 34a_100000123541_100011219619 [0,1,0,0,0,0|3,0,0]=4 6211 B13R0.202 NC(=O)CCCCCOCC(O)CO 7a_100000123541_100011219619 [0,1,0,0,0,0|3,0,0]=4 6212 B13R0.202 NC(=O)CCCCCOC[C@@H](O)CF 34a_100000123541_100015614560 [0,1,0,0,0,0|3,0,0]=4 6213 B13R0.202 NC(=O)CCCCCOC[C@@H](O)CF 7a_100000123541_100015614560 [0,1,0,0,0,0|3,0,0]=4 6214 B13R0.202 NC(=O)CCCCCOC[C@@H](O)CO 34a_100000123541_100009815848 [0,1,0,0,0,0|3,0,0]=4 6215 B13R0.202 NC(=O)CCCCCOC[C@@H](O)CO 7a_100000123541_100009815848 [0,1,0,0,0,0|3,0,0]=4 6216 B13R0.202 NC(=O)CCCCCSCC(O)CO 62a_100009817443_100011219619 [0,1,0,0,0,0|3,0,0]=4 6217 B13R0.202 NC(=O)CCCCCSCC(O)CO 62a_100011219619_100009817443 [0,1,0,0,0,0|3,0,0]=4 6218 B13R0.202 NC(=O)CCCCCSC[C@@H](O)CF 62a_100009817443_100015614560 [0,1,0,0,0,0|3,0,0]=4 6219 B13R0.202 NC(=O)CCCCCSC[C@@H](O)CF 62a_100015614560_100009817443 [0,1,0,0,0,0|3,0,0]=4 6220 B13R0.202 NC(=O)CCCCCSC[C@@H](O)CO 62a_100009815848_100009817443 [0,1,0,0,0,0|3,0,0]=4 6221 B13R0.202 NC(=O)CCCCCSC[C@@H](O)CO 62a_100009817443_100009815848 [0,1,0,0,0,0|3,0,0]=4 6222 B13R0.202 NC[C@@H](F)COCCCCCC(=O)N 34a_100015665980_100009817443 [0,1,0,0,0,0|3,0,0]=4 6223 B13R0.202 O=C([O-])CCCCCOCC(O)CO 7a_100102619762_100011219619 [0,1,0,0,0,0|2,0,1]=4 6224 B13R0.202 O=C([O-])CCCCCOC[C@@H](O)CF 7a_100102619762_100015614560 [0,1,0,0,0,0|2,0,1]=4 6225 B13R0.202 O=C([O-])CCCCCOC[C@@H](O)CO 7a_100102619762_100009815848 [0,1,0,0,0,0|2,0,1]=4 6226 B13R0.280 CCCCCCCCCNS(=O)(=O)C 40a_100000212291_100000738038 [0,1,0,0,0,0|2,0,1]=4 6227 B13R0.280 CCCCCCCCNCC(C)(C)O 2230a_100000751335_100000210759 [0,1,0,0,0,0|2,0,1]=4 6228 B13R0.280 CCCCCCCCNCC(C)(C)O 34a_100000229939_100000764493 [0,1,0,0,0,0|2,0,1]=4 6229 B13R0.280 CCCCCCCCNCS(=O)(=O)[O-] 34a_100000229939_100009817235 [0,1,0,0,0,0|2,0,1]=4 6230 B13R0.280 CCCCCCCCOCC(C)(C)O 34a_100000210232_100000764493 [0,1,0,0,0,0|2,0,1]=4 6231 B13R0.280 CCCCCCCCOCC(C)(C)O 7a_100000210232_100000764493 [0,1,0,0,0,0|2,0,1]=4 6232 B13R0.280 CCCCCCCCOCS(=O)(=O)[O-] 34a_100000210232_100009817235 [0,1,0,0,0,0|2,0,1]=4 6233 B13R0.280 CCCCCCCCSCC(C)(C)O 62a_100000210759_100000764493 [0,1,0,0,0,0|2,0,1]=4 6234 B13R0.280 CCCCCCCCSCC(C)(C)O 62a_100000764493_100000210317 [0,1,0,0,0,0|2,0,1]=4 6235 B13R0.280 CCCCCCCCSCS(=O)(=O)N 62a_100000210759_100000741382 [0,1,0,0,0,0|2,0,1]=4 6236 B13R0.280 CCCCCCCCSCS(=O)(=O)N 62a_100000741382_100000210317 [0,1,0,0,0,0|2,0,1]=4 6237 B13R0.280 CCCCCCCCSCS(=O)(=O)[O-] 62a_100000210759_100009817235 [0,1,0,0,0,0|2,0,1]=4 6238 B13R0.280 CCCCCCCCSCS(=O)(=O)[O-] 62a_100009817235_100000210317 [0,1,0,0,0,0|2,0,1]=4 6239 B13R0.280 CCCCCCCNCCC(C)(C)O 2230a_100000229938_100000702414 [0,1,0,0,0,0|2,0,1]=4 6240 B13R0.280 CCCCCCCNCCS(=O)(=O)C 2230a_100000229938_100000731031 [0,1,0,0,0,0|2,0,1]=4 6241 B13R0.280 CCCCCCCNCCS(=O)(=O)C 2230a_100000740961_100000210681 [0,1,0,0,0,0|2,0,1]=4 6242 B13R0.280 CCCCCCCNCCS(=O)(=O)C 34a_100000740961_100000210614 [0,1,0,0,0,0|2,0,1]=4 6243 B13R0.280 CCCCCCCNCCS(=O)(=O)N 2230a_100000738205_100000210681 [0,1,0,0,0,0|2,0,1]=4 6244 B13R0.280 CCCCCCCNCCS(=O)(=O)N 34a_100000738205_100000210614 [0,1,0,0,0,0|2,0,1]=4 6245 B13R0.280 CCCCCCCNCCS(=O)(=O)[O-] 2230a_100000229938_100000737633 [0,1,0,0,0,0|2,0,1]=4 6246 B13R0.280 CCCCCCCOCCC(C)(C)O 34a_100000210272_100000702414 [0,1,0,0,0,0|2,0,1]=4 6247 B13R0.280 CCCCCCCOCCC(C)(C)O 7a_100000210272_100000702414 [0,1,0,0,0,0|2,0,1]=4 6248 B13R0.280 CCCCCCCOCCS(=O)(=O)C 34a_100000210272_100000731031 [0,1,0,0,0,0|2,0,1]=4 6249 B13R0.280 CCCCCCCOCCS(=O)(=O)C 34a_100000211924_100000210614 [0,1,0,0,0,0|2,0,1]=4 6250 B13R0.280 CCCCCCCOCCS(=O)(=O)C 7a_100000210272_100000230027 [0,1,0,0,0,0|2,0,1]=4 6251 B13R0.280 CCCCCCCOCCS(=O)(=O)C 7a_100000211924_100000210614 [0,1,0,0,0,0|2,0,1]=4 6252 B13R0.280 CCCCCCCOCCS(=O)(=O)N 34a_100012334274_100000210614 [0,1,0,0,0,0|2,0,1]=4 6253 B13R0.280 CCCCCCCOCCS(=O)(=O)[O-] 34a_100000210272_100000762736 [0,1,0,0,0,0|2,0,1]=4 6254 B13R0.280 CCCCCCCSCCC(C)(C)O 62a_100000210614_100000702414 [0,1,0,0,0,0|2,0,1]=4 6255 B13R0.280 CCCCCCCSCCC(C)(C)O 62a_100000702414_100000210316 [0,1,0,0,0,0|2,0,1]=4 6256 B13R0.280 CCCCCCCSCCS(=O)(=O)C 62a_100000210614_100000230027 [0,1,0,0,0,0|2,0,1]=4 6257 B13R0.280 CCCCCCCSCCS(=O)(=O)C 62a_100000731031_100000210316 [0,1,0,0,0,0|2,0,1]=4 6258 B13R0.280 CCCCCCCSCCS(=O)(=O)[O-] 62a_100000210614_100000762736 [0,1,0,0,0,0|2,0,1]=4 6259 B13R0.280 CCCCCCCSCCS(=O)(=O)[O-] 62a_100000762736_100000210316 [0,1,0,0,0,0|2,0,1]=4 6260 B13R0.280 CCCCCCNCCCC(C)(C)O 2230a_100000210581_100009888830 [0,1,0,0,0,0|2,0,1]=4 6261 B13R0.280 CCCCCCNCCCS(=O)(=O)C 2230a_100000210581_100000754308 [0,1,0,0,0,0|2,0,1]=4 6262 B13R0.280 CCCCCCNCCCS(=O)(=O)C 2230a_100000742409_100000210314 [0,1,0,0,0,0|2,0,1]=4 6263 B13R0.280 CCCCCCNCCCS(=O)(=O)C 34a_100000742409_100000210314 [0,1,0,0,0,0|2,0,1]=4 6264 B13R0.280 CCCCCCNCCCS(=O)(=O)N 2230a_100000210581_100000750626 [0,1,0,0,0,0|2,0,1]=4 6265 B13R0.280 CCCCCCOCCCC(C)(C)O 34a_100000210259_100009888830 [0,1,0,0,0,0|2,0,1]=4 6266 B13R0.280 CCCCCCOCCCC(C)(C)O 7a_100000210259_100009888830 [0,1,0,0,0,0|2,0,1]=4 6267 B13R0.280 CCCCCCOCCCS(=O)(=O)C 34a_100000210259_100000754308 [0,1,0,0,0,0|2,0,1]=4 6268 B13R0.280 CCCCCCOCCCS(=O)(=O)C 34a_100000689940_100000210314 [0,1,0,0,0,0|2,0,1]=4 6269 B13R0.280 CCCCCCOCCCS(=O)(=O)C 7a_100000210259_100000754308 [0,1,0,0,0,0|2,0,1]=4 6270 B13R0.280 CCCCCCOCCCS(=O)(=O)C 7a_100000689940_100000210314 [0,1,0,0,0,0|2,0,1]=4 6271 B13R0.280 CCCCCCOCCCS(=O)(=O)N 34a_100000210259_100000750626 [0,1,0,0,0,0|2,0,1]=4 6272 B13R0.280 CCCCCCOCCCS(=O)(=O)N 7a_100000210259_100000750626 [0,1,0,0,0,0|2,0,1]=4 6273 B13R0.280 CCCCCCOCCCS(=O)(=O)[O-] 34a_100000210259_100009813499 [0,1,0,0,0,0|2,0,1]=4 6274 B13R0.280 CCCCCCSCCCC(C)(C)O 62a_100000210314_100009888830 [0,1,0,0,0,0|2,0,1]=4 6275 B13R0.280 CCCCCCSCCCC(C)(C)O 62a_100009888830_100000210757 [0,1,0,0,0,0|2,0,1]=4 6276 B13R0.280 CCCCCCSCCCS(=O)(=O)C 62a_100000210314_100000754308 [0,1,0,0,0,0|2,0,1]=4 6277 B13R0.280 CCCCCCSCCCS(=O)(=O)C 62a_100000754308_100000210757 [0,1,0,0,0,0|2,0,1]=4 6278 B13R0.280 CCCCCCSCCCS(=O)(=O)N 62a_100000210314_100000750626 [0,1,0,0,0,0|2,0,1]=4 6279 B13R0.280 CCCCCCSCCCS(=O)(=O)N 62a_100000750626_100000210757 [0,1,0,0,0,0|2,0,1]=4 6280 B13R0.280 CCCCCCSCCCS(=O)(=O)[O-] 62a_100000210314_100009813499 [0,1,0,0,0,0|2,0,1]=4 6281 B13R0.280 CCCCCCSCCCS(=O)(=O)[O-] 62a_100009813499_100000210757 [0,1,0,0,0,0|2,0,1]=4 6282 B13R0.280 CCCCNCCCCCC(C)(C)O 2230a_100000102301_100010402123 [0,1,0,0,0,0|2,0,1]=4 6283 B13R0.280 CCCCNCCCCCC(C)(C)O 7a_106832991798_100010402123 [0,1,0,0,0,0|2,0,1]=4 6284 B13R0.280 CCCCOCCCCCC(C)(C)O 34a_100000210227_100010402123 [0,1,0,0,0,0|2,0,1]=4 6285 B13R0.280 CCCCOCCCCCC(C)(C)O 7a_100000210227_100010402123 [0,1,0,0,0,0|2,0,1]=4 6286 B13R0.280 CCCCSCCCCCC(C)(C)O 62a_100000210211_100010402123 [0,1,0,0,0,0|2,0,1]=4 6287 B13R0.280 CCCCSCCCCCC(C)(C)O 62a_100010402123_100000210210 [0,1,0,0,0,0|2,0,1]=4 6288 B13R0.335 C#CCCCCCCN(C)CC(=O)O 269956a_100000746989_100012276617 [0,1,0,0,0,0|1,0,2]=4 6289 B13R0.335 C#CCCCCNCC(O)CC(=O)O 269956a_100011218706_100010269958 [0,1,0,0,0,0|1,0,2]=4 6290 B13R0.335 C=C(C)CC(=O)CCCCCCCC 1458a_100000210188_100000748629 [0,1,0,0,0,0|2,0,1]=4 6291 B13R0.335 C=C(C)CN(C)CCCCCCCC 2230a_100000207567_100000748629 [0,1,0,0,0,0|3,0,0]=4 6292 B13R0.335 C=C(C)CN(C)CCCCCCCC 2230a_100000225649_100000210759 [0,1,0,0,0,0|3,0,0]=4 6293 B13R0.335 C=C(C)CN(C)CCCCCCCC 269982a_100000207567_100000748629 [0,1,0,0,0,0|3,0,0]=4 6294 B13R0.335 C=C(C)CN(C)CCCCCCCC 269982a_100000225649_100000210759 [0,1,0,0,0,0|3,0,0]=4 6295 B13R0.335 C=C(F)CC(=O)CCCCCCCC 1458a_100000210188_100009893438 [0,1,0,0,0,0|2,0,1]=4 6296 B13R0.335 C=C(F)CN(C)CCCCCCCC 2230a_100000207567_100009893438 [0,1,0,0,0,0|3,0,0]=4 6297 B13R0.335 C=C(F)CN(C)CCCCCCCC 269982a_100000207567_100009893438 [0,1,0,0,0,0|3,0,0]=4 6298 B13R0.335 C=CCCCCCCN(C)CC(=O)O 269956a_100000746989_100011215473 [0,1,0,0,0,0|1,0,2]=4 6299 B13R0.335 C=CCCCCNCC(O)CC(=O)O 269956a_100011218706_100011215482 [0,1,0,0,0,0|1,0,2]=4 6300 B13R0.335 CC/C=C\CCNCC(O)CC(=O)O 269956a_100011218706_100015370543 [0,1,0,0,0,0|1,0,2]=4 6301 B13R0.335 CCCCCC#CCN(C)CC(=O)O 269956a_100000746989_100009816472 [0,1,0,0,0,0|1,0,2]=4 6302 B13R0.335 CCCCCCCCC(=O)CC(=O)N 1458a_100000210188_100000187820 [0,1,0,0,0,0|1,0,1]=3 6303 B13R0.335 CCCCCCCCC(=O)CC(=O)N 1458a_100134613110_100000210759 [0,1,0,0,0,0|1,0,1]=3 6304 B13R0.335 CCCCCCCCC(=O)CC(=O)[O-] 1458a_100000210188_100020667443 [0,1,0,0,0,0|0,0,2]=3 6305 B13R0.335 CCCCCCCCC(=O)CC(C)O 1458a_100000210188_100011218427 [0,1,0,0,0,0|1,0,2]=4 6306 B13R0.335 CCCCCCCCC(=O)C[C@@H](C)O 1458a_100011933948_100000210759 [0,1,0,0,0,0|1,0,2]=4 6307 B13R0.335 CCCCCCCCC(=O)C[N+](=O)[O-] 1458a_100000210188_100000761209 [0,1,0,0,0,0|1,0,2]=4 6308 B13R0.335 CCCCCCCCC(C)CN(C)C 270004a_100102631434_100011995885 [0,1,0,0,0,0|3,0,0]=4 6309 B13R0.335 CCCCCCCCN(C)CC(=O)N 2230a_100000207567_100000747473 [0,1,0,0,0,0|2,0,0]=3 6310 B13R0.335 CCCCCCCCN(C)CC(=O)N 2230a_100000739694_100000210759 [0,1,0,0,0,0|2,0,0]=3 6311 B13R0.335 CCCCCCCCN(C)CC(=O)N 269982a_100000207567_100000187820 [0,1,0,0,0,0|2,0,0]=3 6312 B13R0.335 CCCCCCCCN(C)CC(=O)O 269956a_100000746989_100000210759 [0,1,0,0,0,0|1,0,0]=2 6313 B13R0.335 CCCCCCCCN(C)CC(=O)[O-] 269982a_100000207567_100020667443 [0,1,0,0,0,0|1,0,1]=3 6314 B13R0.335 CCCCCCCCN(C)CC(C)O 2230a_100000207567_100011218427 [0,1,0,0,0,0|2,0,1]=4 6315 B13R0.335 CCCCCCCCN(C)CC(C)O 2230a_100000227577_100000210759 [0,1,0,0,0,0|2,0,1]=4 6316 B13R0.335 CCCCCCCCN(C)CC(C)O 269982a_100000207567_100011218427 [0,1,0,0,0,0|2,0,1]=4 6317 B13R0.335 CCCCCCCCN(C)CC(C)O 269982a_100000227577_100000210759 [0,1,0,0,0,0|2,0,1]=4 6318 B13R0.335 CCCCCCCCN(C)C[C@@H](C)O 2230a_100000207567_100009817552 [0,1,0,0,0,0|2,0,1]=4 6319 B13R0.335 CCCCCCCCN(C)C[C@@H](C)O 269982a_100000207567_100009817552 [0,1,0,0,0,0|2,0,1]=4 6320 B13R0.335 CCCCCCCCN(C)C[N+](=O)[O-] 269982a_100000207567_100000761209 [0,1,0,0,0,0|2,0,1]=4 6321 B13R0.335 CCCCCCCNC(=O)CC(=O)N 240690a_100000229938_100134613110 [0,1,0,0,0,0|2,0,1]=4 6322 B13R0.335 CCCCCCCNC(=O)CC(=O)N 527a_100000229938_100134613110 [0,1,0,0,0,0|2,0,1]=4 6323 B13R0.335 CCCCCCCSC(C)OC(=O)C 62a_100000210614_100009818208 [0,1,0,0,0,0|3,0,0]=4 6324 B13R0.335 CCCCCCCSC(C)OC(=O)C 62a_100009818208_100000210316 [0,1,0,0,0,0|3,0,0]=4 6325 B13R0.335 CCCCCCNCC(O)CC(=O)O 269956a_100011218706_100000210757 [0,1,0,0,0,0|1,0,0]=2 6326 B13R0.335 CCCCOCNCC(O)CC(=O)O 269956a_100011218706_100011995733 [0,1,0,0,0,0|2,0,0]=3 6327 B13R0.335 CCCOCCNCC(O)CC(=O)O 269956a_100011218706_100011215938 [0,1,0,0,0,0|2,0,0]=3 6328 B13R0.335 CCOCCCNCC(O)CC(=O)O 269956a_100011218706_100012232248 [0,1,0,0,0,0|2,0,0]=3 6329 B13R0.335 CCOCCOCCN(C)CC(=O)O 269956a_100000746989_100011211534 [0,1,0,0,0,0|3,0,0]=4 6330 B13R0.335 CN(CCCCCCC#N)CC(=O)O 269956a_100000746989_100009813337 [0,1,0,0,0,0|2,0,1]=4 6331 B13R0.335 CN(CCCCCCCO)CC(=O)N 2230a_100000739694_100000760002 [0,1,0,0,0,0|3,0,0]=4 6332 B13R0.335 CN(CCCCCCCO)CC(=O)O 269956a_100000746989_100000760002 [0,1,0,0,0,0|2,0,0]=3 6333 B13R0.335 COCCCCCCC(=O)CC(=O)N 1458a_100134613110_100011998445 [0,1,0,0,0,0|2,0,1]=4 6334 B13R0.335 COCCCCCCN(C)CC(=O)N 2230a_100000739694_100011998445 [0,1,0,0,0,0|3,0,0]=4 6335 B13R0.335 COCCCCCCN(C)CC(=O)O 269956a_100000746989_100011998445 [0,1,0,0,0,0|2,0,0]=3 6336 B13R0.335 COCCCCNCC(O)CC(=O)O 269956a_100011218706_100000730899 [0,1,0,0,0,0|2,0,0]=3 6337 B13R0.335 COCCOCCCN(C)CC(=O)O 269956a_100000746989_100011216529 [0,1,0,0,0,0|3,0,0]=4 6338 B13R0.335 COCCOCNCC(O)CC(=O)O 269956a_100011218706_100000231047 [0,1,0,0,0,0|3,0,0]=4 6339 B13R0.335 N#CCCCCNCC(O)CC(=O)O 269956a_100011218706_100011219923 [0,1,0,0,0,0|2,0,1]=4 6340 B13R0.335 NC(=O)CC(=O)CCCCCCCO 1458a_100011219782_100000187820 [0,1,0,0,0,0|2,0,1]=4 6341 B13R0.335 NC(=O)CC(=O)CCCCCCCO 1458a_100134613110_100000760002 [0,1,0,0,0,0|2,0,1]=4 6342 B13R0.335 O=C(O)CC(O)CNCCCCCF 269956a_100011218706_100000729378 [0,1,0,0,0,0|2,0,0]=3 6343 B13R0.335 O=C(O)CC(O)CNCCCCCO 269956a_100011218706_100000746330 [0,1,0,0,0,0|2,0,0]=3 6344 B13R0.335 O=C(O)CC(O)CNCCOCCO 269956a_100011218706_100011215305 [0,1,0,0,0,0|3,0,0]=4 6345 B13R0.335 O=C([O-])CC(=O)CCCCCCCO 1458a_100011219782_100020667443 [0,1,0,0,0,0|1,0,2]=4 6346 B13R0.335 O=CCCCCNCC(O)CC(=O)O 269956a_100011218706_100000139335 [0,1,0,0,0,0|2,0,1]=4 6347 B13R1.6 CCCCCCN1CCCC(C1)O 2230a_100000211013_100000210314 [0,0,0,1,0,0|2,0,1]=4 6348 B13R1.6 CCCCCCN1CCCC(C1)O 269982a_100000211013_100000210757 [0,0,0,1,0,0|2,0,1]=4 6349 B13R1.6 CCCCCCN1CCNC(=O)C1 2230a_100000184651_100000210314 [0,0,0,1,0,0|3,0,0]=4 6350 B13R1.6 CCCCCCN1CCOC(=O)C1 2230a_100000131268_100000210314 [0,0,0,1,0,0|3,0,0]=4 6351 B13R1.6 CCCCCNC1CCCC(C1)O 2230a_100015190357_100000210326 [0,0,0,1,0,0|2,0,1]=4 6352 B13R1.6 CCCCCNC1CCCC(C1)O 270004a_100000209983_100012613340 [0,0,0,1,0,0|2,0,1]=4 6353 B13R1.6 CCCCCNC1CCNC(=O)C1 2230a_100016994916_100000210326 [0,0,0,1,0,0|3,0,0]=4 6354 B13R1.6 CCCCCNC1CCNC(=O)C1 34a_100016994916_100000718602 [0,0,0,1,0,0|3,0,0]=4 6355 B13R1.6 CCCCCOC1C=C(CCC1)C 34a_100011218613_100000718602 [0,0,0,1,0,0|3,0,0]=4 6356 B13R1.6 CCCCCOC1CCCC(=O)C1 34a_100012613340_100000718602 [0,0,0,1,0,0|2,0,0]=3 6357 B13R1.6 CCCCCO[C@@H]1CCNC(=O)C1 34a_100015189427_100000718602 [0,0,0,1,0,0|3,0,0]=4 6358 B13R1.6 CCCCNCC1CCCC(C1)O 2230a_100011254705_100000210211 [0,0,0,1,0,0|2,0,1]=4 6359 B13R1.6 CCCCOCC1CCCC(=O)N1 34a_200000102386_100000210210 [0,0,0,1,0,0|2,0,0]=3 6360 B13R1.6 CCCCOCC1CCNC(=O)C1 34a_100009886756_100000210210 [0,0,0,1,0,0|3,0,0]=4 6361 B13R1.6 CCCCOCC1COCC(=O)N1 34a_200000101122_100000210210 [0,0,0,1,0,0|3,0,0]=4 6362 B13R1.6 CCOCCOC1CCCC(=O)C1 34a_100012613340_100000210147 [0,0,0,1,0,0|3,0,0]=4 6363 B13R1.6 CCSCCOC1CCCC(=O)C1 34a_100012613340_100000757381 [0,0,0,1,0,0|3,0,0]=4 6364 B13R1.6 COCCCOC1CCCC(=O)C1 34a_100012613340_100000740836 [0,0,0,1,0,0|3,0,0]=4 6365 B13R1.6 COCCOCC1CCCC(=O)N1 34a_200000102386_100011201679 [0,0,0,1,0,0|3,0,0]=4 6366 B13R1.6 CSCCOCC1CCCC(=O)N1 34a_200000102386_100000212216 [0,0,0,1,0,0|3,0,0]=4 6367 B13R1.6 O=C1CCCC(C1)OCCCCF 34a_100012613340_100000729493 [0,0,0,1,0,0|3,0,0]=4 6368 B13R1.6 O=C1CCCC(C1)OCCCCO 34a_100012613340_100011216708 [0,0,0,1,0,0|3,0,0]=4 6369 B13R1.6 O=C1CCCC(N1)COCCCF 34a_200000102386_100011934791 [0,0,0,1,0,0|3,0,0]=4 6370 B13R1.6 O=C1CCCC(N1)COCCCO 34a_200000102386_100000230001 [0,0,0,1,0,0|3,0,0]=4 6371 B13R1.27 CCCCCCCN1CCC(C1)O 2230a_100011215560_100000210681 [0,0,0,1,0,0|2,0,1]=4 6372 B13R1.27 CCCCCCCN1CCC(C1)O 269982a_100011215560_100000210681 [0,0,0,1,0,0|2,0,1]=4 6373 B13R1.27 CCCCCCCN1CNC(=O)C1 2230a_200000708111_100000210681 [0,0,0,1,0,0|3,0,0]=4 6374 B13R1.27 CCCCCCNC1CCC(C1)O 270004a_100000210581_100012614533 [0,0,0,1,0,0|2,0,1]=4 6375 B13R1.27 CCCCCCNC1CNC(=O)C1 2230a_100000697751_100000210314 [0,0,0,1,0,0|3,0,0]=4 6376 B13R1.27 CCCCCCN[C@H]1CC[C@H](C1)O 2230a_100015195300_100000210314 [0,0,0,1,0,0|2,0,1]=4 6377 B13R1.27 CCCCCCOC1CCC(=O)C1 34a_100012614533_100000210314 [0,0,0,1,0,0|2,0,0]=3 6378 B13R1.27 CCCCCCOC1CNC(=O)C1 34a_100000690082_100000210314 [0,0,0,1,0,0|3,0,0]=4 6379 B13R1.27 CCCCCCOC1COC(=O)O1 34a_100000210259_100000032252 [0,0,0,1,0,0|2,0,0]=3 6380 B13R1.27 CCCCCCSC1COC(=O)O1 62a_100000210314_100000032252 [0,0,0,1,0,0|2,0,0]=3 6381 B13R1.27 CCCCCNCC1CNC(=O)C1 2230a_100016993742_100000210326 [0,0,0,1,0,0|3,0,0]=4 6382 B13R1.27 CCCCCNCC1CNC(=O)C1 34a_100016993742_100000718602 [0,0,0,1,0,0|3,0,0]=4 6383 B13R1.27 CCCCCNCC1CNC(=O)O1 2230a_100000209983_100000181169 [0,0,0,1,0,0|2,0,0]=3 6384 B13R1.27 CCCCCNC[C@@H]1CCC(=O)N1 2230a_100000209983_100015189358 [0,0,0,1,0,0|2,0,0]=3 6385 B13R1.27 CCCCCNC[C@H]1CCC(=O)N1 2230a_100015423886_100000210326 [0,0,0,1,0,0|2,0,0]=3 6386 B13R1.27 CCCCCNC[C@H]1CCC(=O)N1 34a_100015423886_100000718602 [0,0,0,1,0,0|2,0,0]=3 6387 B13R1.27 CCCCCNC[C@H]1COC(=O)N1 2230a_100000209983_100015307671 [0,0,0,1,0,0|3,0,0]=4 6388 B13R1.27 CCCCCOCC1CCC(=O)N1 34a_100000737831_100000718602 [0,0,0,1,0,0|2,0,0]=3 6389 B13R1.27 CCCCCOCC1CNC(=O)C1 34a_100016041077_100000718602 [0,0,0,1,0,0|3,0,0]=4 6390 B13R1.27 CCCCCOCC1CNC(=O)O1 34a_100000210253_100000181169 [0,0,0,1,0,0|2,0,0]=3 6391 B13R1.27 CCCCCOCC1CNC(=O)O1 34a_100011315639_100000718602 [0,0,0,1,0,0|2,0,0]=3 6392 B13R1.27 CCCCCOCC1CNC(=O)O1 7a_100000210253_100000181169 [0,0,0,1,0,0|2,0,0]=3 6393 B13R1.27 CCCCCOCC1COC(=O)O1 34a_100000210253_100000073702 [0,0,0,1,0,0|2,0,0]=3 6394 B13R1.27 CCCCCOC[C@@H]1CCC(=O)N1 7a_100000210253_100015189358 [0,0,0,1,0,0|2,0,0]=3 6395 B13R1.27 CCCCCOC[C@H]1COC(=O)N1 34a_100000210253_100015307671 [0,0,0,1,0,0|3,0,0]=4 6396 B13R1.27 CCCCCOC[C@H]1COC(=O)N1 7a_100000210253_100015307671 [0,0,0,1,0,0|3,0,0]=4 6397 B13R1.27 CCCCCSCC1CNC(=O)O1 62a_100000181169_100000210326 [0,0,0,1,0,0|2,0,0]=3 6398 B13R1.27 CCCCCSCC1CNC(=O)O1 62a_100000210326_100000181169 [0,0,0,1,0,0|2,0,0]=3 6399 B13R1.27 CCCCCSCC1COC(=O)O1 62a_100000073702_100000210326 [0,0,0,1,0,0|2,0,0]=3 6400 B13R1.27 CCCCCSCC1COC(=O)O1 62a_100000210326_100000073702 [0,0,0,1,0,0|2,0,0]=3 6401 B13R1.27 CCCCCSC[C@@H]1CCC(=O)N1 62a_100000210326_100015189358 [0,0,0,1,0,0|2,0,0]=3 6402 B13R1.27 CCCCCSC[C@@H]1CCC(=O)N1 62a_100015189358_100000210326 [0,0,0,1,0,0|2,0,0]=3 6403 B13R1.27 CCCCCSC[C@H]1COC(=O)N1 62a_100000210326_100015307671 [0,0,0,1,0,0|3,0,0]=4 6404 B13R1.27 CCCCCSC[C@H]1COC(=O)N1 62a_100015307671_100000210326 [0,0,0,1,0,0|3,0,0]=4 6405 B13R1.27 CCCCNCCC1COS(=O)O1 7a_106832991798_100009840081 [0,0,0,1,0,0|3,0,0]=4 6406 B13R1.27 CCCCOCCC1COS(=O)O1 7a_100000210227_100009840081 [0,0,0,1,0,0|3,0,0]=4 6407 B13R1.27 CCCCOCOC1CCC(=O)C1 34a_100012614533_100011995733 [0,0,0,1,0,0|3,0,0]=4 6408 B13R1.27 CCCCOCSC1COC(=O)O1 62a_100011995733_100000032252 [0,0,0,1,0,0|3,0,0]=4 6409 B13R1.27 CCCCSCCC1COS(=O)O1 62a_100000210211_100009840081 [0,0,0,1,0,0|3,0,0]=4 6410 B13R1.27 CCCOCCNC1COC(=O)O1 34a_100161115042_100000032252 [0,0,0,1,0,0|3,0,0]=4 6411 B13R1.27 CCCOCCOC1CCC(=O)C1 34a_100012614533_100011215938 [0,0,0,1,0,0|3,0,0]=4 6412 B13R1.27 CCCOCCOC1COC(=O)O1 34a_100000752267_100000032252 [0,0,0,1,0,0|3,0,0]=4 6413 B13R1.27 CCCOCCSC1COC(=O)O1 62a_100011215938_100000032252 [0,0,0,1,0,0|3,0,0]=4 6414 B13R1.27 CCCSCCOC1COC(=O)O1 34a_200000230433_100000032252 [0,0,0,1,0,0|3,0,0]=4 6415 B13R1.27 CCOCCCNC1COC(=O)O1 34a_100000210961_100000032252 [0,0,0,1,0,0|3,0,0]=4 6416 B13R1.27 CCOCCCOC1CCC(=O)C1 34a_100012614533_100012232248 [0,0,0,1,0,0|3,0,0]=4 6417 B13R1.27 CCOCCCOC1COC(=O)O1 34a_100000757476_100000032252 [0,0,0,1,0,0|3,0,0]=4 6418 B13R1.27 CCOCCCSC1COC(=O)O1 62a_100012232248_100000032252 [0,0,0,1,0,0|3,0,0]=4 6419 B13R1.27 CCOCCNCC1CNC(=O)O1 2230a_102516460346_100000181169 [0,0,0,1,0,0|3,0,0]=4 6420 B13R1.27 CCOCCNCC1CNC(=O)O1 34a_102516460346_100000181169 [0,0,0,1,0,0|3,0,0]=4 6421 B13R1.27 CCOCCNCC1COC(=O)O1 34a_102516460346_100000073702 [0,0,0,1,0,0|3,0,0]=4 6422 B13R1.27 CCOCCNC[C@@H]1CCC(=O)N1 2230a_102516460346_100015189358 [0,0,0,1,0,0|3,0,0]=4 6423 B13R1.27 CCOCCNC[C@H]1CCC(=O)N1 2230a_100015423886_100011215890 [0,0,0,1,0,0|3,0,0]=4 6424 B13R1.27 CCOCCNC[C@H]1CCC(=O)N1 34a_100015423886_100000210147 [0,0,0,1,0,0|3,0,0]=4 6425 B13R1.27 CCOCCOCC1CCC(=O)N1 34a_100000737831_100000210147 [0,0,0,1,0,0|3,0,0]=4 6426 B13R1.27 CCOCCOCC1CNC(=O)O1 34a_100000210136_100000181169 [0,0,0,1,0,0|3,0,0]=4 6427 B13R1.27 CCOCCOCC1CNC(=O)O1 34a_100011315639_100000210147 [0,0,0,1,0,0|3,0,0]=4 6428 B13R1.27 CCOCCOCC1CNC(=O)O1 7a_100000210136_100000181169 [0,0,0,1,0,0|3,0,0]=4 6429 B13R1.27 CCOCCOCC1COC(=O)O1 34a_100000210136_100000073702 [0,0,0,1,0,0|3,0,0]=4 6430 B13R1.27 CCOCCOC[C@@H]1CCC(=O)N1 7a_100000210136_100015189358 [0,0,0,1,0,0|3,0,0]=4 6431 B13R1.27 CCOCCSCC1CNC(=O)O1 62a_100000181169_100011215890 [0,0,0,1,0,0|3,0,0]=4 6432 B13R1.27 CCOCCSCC1CNC(=O)O1 62a_100000210147_100000181169 [0,0,0,1,0,0|3,0,0]=4 6433 B13R1.27 CCOCCSCC1COC(=O)O1 62a_100000073702_100011215890 [0,0,0,1,0,0|3,0,0]=4 6434 B13R1.27 CCOCCSCC1COC(=O)O1 62a_100000210147_100000073702 [0,0,0,1,0,0|3,0,0]=4 6435 B13R1.27 CCOCCSC[C@@H]1CCC(=O)N1 62a_100000210147_100015189358 [0,0,0,1,0,0|3,0,0]=4 6436 B13R1.27 CCOCCSC[C@@H]1CCC(=O)N1 62a_100015189358_100011215890 [0,0,0,1,0,0|3,0,0]=4 6437 B13R1.27 CCSCCCOC1COC(=O)O1 34a_100011216438_100000032252 [0,0,0,1,0,0|3,0,0]=4 6438 B13R1.27 CCSCCNCC1CNC(=O)O1 2230a_100000106463_100000181169 [0,0,0,1,0,0|3,0,0]=4 6439 B13R1.27 CCSCCNC[C@@H]1CCC(=O)N1 2230a_100000106463_100015189358 [0,0,0,1,0,0|3,0,0]=4 6440 B13R1.27 CCSCCNC[C@H]1CCC(=O)N1 2230a_100015423886_100000757381 [0,0,0,1,0,0|3,0,0]=4 6441 B13R1.27 CCSCCNC[C@H]1CCC(=O)N1 34a_100015423886_100000757381 [0,0,0,1,0,0|3,0,0]=4 6442 B13R1.27 CCSCCOCC1CCC(=O)N1 34a_100000737831_100000757381 [0,0,0,1,0,0|3,0,0]=4 6443 B13R1.27 CCSCCOCC1CNC(=O)O1 34a_100000212035_100000181169 [0,0,0,1,0,0|3,0,0]=4 6444 B13R1.27 CCSCCOCC1CNC(=O)O1 34a_100011315639_100000757381 [0,0,0,1,0,0|3,0,0]=4 6445 B13R1.27 CCSCCOCC1CNC(=O)O1 7a_100000212035_100000181169 [0,0,0,1,0,0|3,0,0]=4 6446 B13R1.27 CCSCCOCC1COC(=O)O1 34a_100000212035_100000073702 [0,0,0,1,0,0|3,0,0]=4 6447 B13R1.27 CCSCCOC[C@@H]1CCC(=O)N1 7a_100000212035_100015189358 [0,0,0,1,0,0|3,0,0]=4 6448 B13R1.27 CCSCCSCC1CNC(=O)O1 62a_100000181169_100000757381 [0,0,0,1,0,0|3,0,0]=4 6449 B13R1.27 CCSCCSCC1CNC(=O)O1 62a_100000757381_100000181169 [0,0,0,1,0,0|3,0,0]=4 6450 B13R1.27 CCSCCSCC1COC(=O)O1 62a_100000073702_100000757381 [0,0,0,1,0,0|3,0,0]=4 6451 B13R1.27 CCSCCSCC1COC(=O)O1 62a_100000757381_100000073702 [0,0,0,1,0,0|3,0,0]=4 6452 B13R1.27 CCSCCSC[C@@H]1CCC(=O)N1 62a_100000757381_100015189358 [0,0,0,1,0,0|3,0,0]=4 6453 B13R1.27 CCSCCSC[C@@H]1CCC(=O)N1 62a_100015189358_100000757381 [0,0,0,1,0,0|3,0,0]=4 6454 B13R1.27 CNCCCOCC1CNC(=O)O1 34a_100000213112_100000181169 [0,0,0,1,0,0|3,0,0]=4 6455 B13R1.27 CNCCCOCC1COC(=O)O1 34a_100000213112_100000073702 [0,0,0,1,0,0|3,0,0]=4 6456 B13R1.27 COCCCCOC1CCC(=O)C1 34a_100012614533_100000755781 [0,0,0,1,0,0|3,0,0]=4 6457 B13R1.27 COCCCCOC1COC(=O)O1 34a_100000740925_100000032252 [0,0,0,1,0,0|3,0,0]=4 6458 B13R1.27 COCCCCSC1COC(=O)O1 62a_100000730899_100000032252 [0,0,0,1,0,0|3,0,0]=4 6459 B13R1.27 COCCCNCC1CNC(=O)O1 34a_100150723488_100000181169 [0,0,0,1,0,0|3,0,0]=4 6460 B13R1.27 COCCCNCC1COC(=O)O1 34a_100150723488_100000073702 [0,0,0,1,0,0|3,0,0]=4 6461 B13R1.27 COCCCNC[C@H]1CCC(=O)N1 2230a_100015423886_100000740836 [0,0,0,1,0,0|3,0,0]=4 6462 B13R1.27 COCCCNC[C@H]1CCC(=O)N1 34a_100015423886_100000740836 [0,0,0,1,0,0|3,0,0]=4 6463 B13R1.27 COCCCOCC1CCC(=O)N1 34a_100000737831_100000740836 [0,0,0,1,0,0|3,0,0]=4 6464 B13R1.27 COCCCOCC1CNC(=O)O1 34a_100000740835_100000181169 [0,0,0,1,0,0|3,0,0]=4 6465 B13R1.27 COCCCOCC1CNC(=O)O1 34a_100011315639_100000740836 [0,0,0,1,0,0|3,0,0]=4 6466 B13R1.27 COCCCOCC1COC(=O)O1 34a_100000740835_100000073702 [0,0,0,1,0,0|3,0,0]=4 6467 B13R1.27 COCCCSCC1CNC(=O)O1 62a_100000181169_100000709357 [0,0,0,1,0,0|3,0,0]=4 6468 B13R1.27 COCCCSCC1CNC(=O)O1 62a_100000709357_100000181169 [0,0,0,1,0,0|3,0,0]=4 6469 B13R1.27 COCCCSCC1COC(=O)O1 62a_100000073702_100000709357 [0,0,0,1,0,0|3,0,0]=4 6470 B13R1.27 COCCCSCC1COC(=O)O1 62a_100000709357_100000073702 [0,0,0,1,0,0|3,0,0]=4 6471 B13R1.27 COCCCSC[C@@H]1CCC(=O)N1 62a_100000709357_100015189358 [0,0,0,1,0,0|3,0,0]=4 6472 B13R1.27 COCCCSC[C@@H]1CCC(=O)N1 62a_100015189358_100000709357 [0,0,0,1,0,0|3,0,0]=4 6473 B13R1.27 CSCCCCOC1COC(=O)O1 34a_100011217163_100000032252 [0,0,0,1,0,0|3,0,0]=4 6474 B13R1.27 CSCCCNCC1CNC(=O)O1 2230a_100000749238_100000181169 [0,0,0,1,0,0|3,0,0]=4 6475 B13R1.27 CSCCCNC[C@@H]1CCC(=O)N1 2230a_100000749238_100015189358 [0,0,0,1,0,0|3,0,0]=4 6476 B13R1.27 CSCCCOCC1CNC(=O)O1 34a_100000690336_100000181169 [0,0,0,1,0,0|3,0,0]=4 6477 B13R1.27 CSCCCOCC1CNC(=O)O1 7a_100000690336_100000181169 [0,0,0,1,0,0|3,0,0]=4 6478 B13R1.27 CSCCCOCC1COC(=O)O1 34a_100000690336_100000073702 [0,0,0,1,0,0|3,0,0]=4 6479 B13R1.27 CSCCCOC[C@@H]1CCC(=O)N1 7a_100000690336_100015189358 [0,0,0,1,0,0|3,0,0]=4 6480 B13R1.27 NCCCCCOC1COC(=O)O1 34a_100000762737_100000032252 [0,0,0,1,0,0|3,0,0]=4 6481 B13R1.27 NCCCCOCC1CNC(=O)O1 34a_100000750430_100000181169 [0,0,0,1,0,0|3,0,0]=4 6482 B13R1.27 NCCCCOCC1COC(=O)O1 34a_100000750430_100000073702 [0,0,0,1,0,0|3,0,0]=4 6483 B13R1.27 O=C1CCC(C1)OCCCCCF 34a_100012614533_100000729378 [0,0,0,1,0,0|3,0,0]=4 6484 B13R1.27 O=C1CCC(C1)OCCCCCO 34a_100012614533_100000746330 [0,0,0,1,0,0|3,0,0]=4 6485 B13R1.27 O=C1CCC(N1)COCCCCF 34a_100000737831_100000729493 [0,0,0,1,0,0|3,0,0]=4 6486 B13R1.27 O=C1CCC(N1)COCCCCO 34a_100000737831_100011216708 [0,0,0,1,0,0|3,0,0]=4 6487 B13R1.27 O=C1CC[C@@H](N1)CNCCCCF 2230a_100015423886_100000729493 [0,0,0,1,0,0|3,0,0]=4 6488 B13R1.27 O=C1CC[C@@H](N1)CNCCCCF 34a_100015423886_100000729493 [0,0,0,1,0,0|3,0,0]=4 6489 B13R1.27 O=C1CC[C@@H](N1)CNCCCCO 2230a_100015423886_100000210776 [0,0,0,1,0,0|3,0,0]=4 6490 B13R1.27 O=C1CC[C@@H](N1)CNCCCCO 34a_100015423886_100011216708 [0,0,0,1,0,0|3,0,0]=4 6491 B13R1.27 O=C1CC[C@H](N1)CNCCCCO 2230a_100000750430_100015189358 [0,0,0,1,0,0|3,0,0]=4 6492 B13R1.27 O=C1CC[C@H](N1)COCCCCCl 7a_100000210776_100015189358 [0,0,0,1,0,0|3,0,0]=4 6493 B13R1.27 O=C1CC[C@H](N1)COCCCCF 7a_100011995726_100015189358 [0,0,0,1,0,0|3,0,0]=4 6494 B13R1.27 O=C1CC[C@H](N1)CSCCCCF 62a_100000729493_100015189358 [0,0,0,1,0,0|3,0,0]=4 6495 B13R1.27 O=C1CC[C@H](N1)CSCCCCF 62a_100015189358_100000729493 [0,0,0,1,0,0|3,0,0]=4 6496 B13R1.27 O=C1CC[C@H](N1)CSCCCCO 62a_100000210776_100015189358 [0,0,0,1,0,0|3,0,0]=4 6497 B13R1.27 O=C1CC[C@H](N1)CSCCCCO 62a_100015189358_100000210776 [0,0,0,1,0,0|3,0,0]=4 6498 B13R1.27 O=C1NCC(O1)CNCCCCO 2230a_100000750430_100000181169 [0,0,0,1,0,0|3,0,0]=4 6499 B13R1.27 O=C1NCC(O1)CNCCCCO 34a_100000750430_100000181169 [0,0,0,1,0,0|3,0,0]=4 6500 B13R1.27 O=C1NCC(O1)COCCCCBr 34a_100011216708_100000181169 [0,0,0,1,0,0|3,0,0]=4 6501 B13R1.27 O=C1NCC(O1)COCCCCCl 34a_100000210776_100000181169 [0,0,0,1,0,0|3,0,0]=4 6502 B13R1.27 O=C1NCC(O1)COCCCCCl 7a_100000210776_100000181169 [0,0,0,1,0,0|3,0,0]=4 6503 B13R1.27 O=C1NCC(O1)COCCCCF 34a_100011315639_100000729493 [0,0,0,1,0,0|3,0,0]=4 6504 B13R1.27 O=C1NCC(O1)COCCCCF 34a_100011995726_100000181169 [0,0,0,1,0,0|3,0,0]=4 6505 B13R1.27 O=C1NCC(O1)COCCCCF 7a_100011995726_100000181169 [0,0,0,1,0,0|3,0,0]=4 6506 B13R1.27 O=C1NCC(O1)COCCCCI 34a_200012148704_100000181169 [0,0,0,1,0,0|3,0,0]=4 6507 B13R1.27 O=C1NCC(O1)COCCCCO 34a_100011315639_100011216708 [0,0,0,1,0,0|3,0,0]=4 6508 B13R1.27 O=C1NCC(O1)CSCCCCF 62a_100000181169_100000729493 [0,0,0,1,0,0|3,0,0]=4 6509 B13R1.27 O=C1NCC(O1)CSCCCCF 62a_100000729493_100000181169 [0,0,0,1,0,0|3,0,0]=4 6510 B13R1.27 O=C1NCC(O1)CSCCCCO 62a_100000181169_100000210776 [0,0,0,1,0,0|3,0,0]=4 6511 B13R1.27 O=C1NCC(O1)CSCCCCO 62a_100000210776_100000181169 [0,0,0,1,0,0|3,0,0]=4 6512 B13R1.27 O=C1OCC(O1)CNCCCCO 34a_100000750430_100000073702 [0,0,0,1,0,0|3,0,0]=4 6513 B13R1.27 O=C1OCC(O1)COCCCCBr 34a_100011216708_100000073702 [0,0,0,1,0,0|3,0,0]=4 6514 B13R1.27 O=C1OCC(O1)COCCCCCl 34a_100000210776_100000073702 [0,0,0,1,0,0|3,0,0]=4 6515 B13R1.27 O=C1OCC(O1)COCCCCF 34a_100011995726_100000073702 [0,0,0,1,0,0|3,0,0]=4 6516 B13R1.27 O=C1OCC(O1)COCCCCI 34a_200012148704_100000073702 [0,0,0,1,0,0|3,0,0]=4 6517 B13R1.27 O=C1OCC(O1)CSCCCCF 62a_100000073702_100000729493 [0,0,0,1,0,0|3,0,0]=4 6518 B13R1.27 O=C1OCC(O1)CSCCCCF 62a_100000729493_100000073702 [0,0,0,1,0,0|3,0,0]=4 6519 B13R1.27 O=C1OCC(O1)CSCCCCO 62a_100000073702_100000210776 [0,0,0,1,0,0|3,0,0]=4 6520 B13R1.27 O=C1OCC(O1)CSCCCCO 62a_100000210776_100000073702 [0,0,0,1,0,0|3,0,0]=4 6521 B13R1.27 O=C1OCC(O1)NCCCCCO 34a_100000762737_100000032252 [0,0,0,1,0,0|3,0,0]=4 6522 B13R1.27 O=C1OCC(O1)OCCCCCBr 34a_100000746331_100000032252 [0,0,0,1,0,0|3,0,0]=4 6523 B13R1.27 O=C1OCC(O1)OCCCCCCl 34a_100000746330_100000032252 [0,0,0,1,0,0|3,0,0]=4 6524 B13R1.27 O=C1OCC(O1)OCCCCCI 34a_200012148887_100000032252 [0,0,0,1,0,0|3,0,0]=4 6525 B13R1.27 O=C1OCC(O1)SCCCCCF 62a_100000729378_100000032252 [0,0,0,1,0,0|3,0,0]=4 6526 B13R1.27 O=C1OCC(O1)SCCCCCO 62a_100000746330_100000032252 [0,0,0,1,0,0|3,0,0]=4 6527 B13R1.90 C=C(C)CCN1CCCCC1CC 2230a_100000210034_100000730704 [0,0,0,1,0,0|3,0,0]=4 6528 B13R1.90 C=C(C)CCN1CCCCC1CC 269982a_100000210034_100000730704 [0,0,0,1,0,0|3,0,0]=4 6529 B13R1.90 C=C(C)CCN1CCCCC1CC 34a_100000210034_100000730704 [0,0,0,1,0,0|3,0,0]=4 6530 B13R1.90 C=C(C)COC1CCCCC1CC 34a_100000210738_100000748629 [0,0,0,1,0,0|3,0,0]=4 6531 B13R1.90 C=C(C)COC1CCCCC1CC 7a_100000210738_100000748629 [0,0,0,1,0,0|3,0,0]=4 6532 B13R1.90 C=C(F)COC1CCCCC1CC 34a_100000210738_100009893438 [0,0,0,1,0,0|3,0,0]=4 6533 B13R1.90 C=C(F)COC1CCCCC1CC 7a_100000210738_100000042424 [0,0,0,1,0,0|3,0,0]=4 6534 B13R1.90 CC(=O)CCN1CCCCC1CO 269982a_100000210821_100000053229 [0,0,0,1,0,0|3,0,0]=4 6535 B13R1.90 CCC1CCCCC1NCC(C)O 269862a_100000210904_100000757040 [0,0,0,1,0,0|2,0,1]=4 6536 B13R1.90 CCC1CCCCC1NCC(C)O 270004a_100000210904_100000757040 [0,0,0,1,0,0|2,0,1]=4 6537 B13R1.90 CCC1CCCCC1OCC(=O)N 34a_100000210738_100000187820 [0,0,0,1,0,0|2,0,0]=3 6538 B13R1.90 CCC1CCCCC1OCC(=O)N 7a_100000210738_100000187820 [0,0,0,1,0,0|2,0,0]=3 6539 B13R1.90 CCC1CCCCC1OCC(=O)[O-] 34a_100000210738_100020667443 [0,0,0,1,0,0|1,0,1]=3 6540 B13R1.90 CCC1CCCCC1OCC(C)O 34a_100000210738_100011218427 [0,0,0,1,0,0|2,0,1]=4 6541 B13R1.90 CCC1CCCCC1OCC(C)O 7a_100000210738_100011218427 [0,0,0,1,0,0|2,0,1]=4 6542 B13R1.90 CCC1CCCCC1OC[C@@H](C)O 34a_100000210738_100009817552 [0,0,0,1,0,0|2,0,1]=4 6543 B13R1.90 CCC1CCCCC1OC[C@@H](C)O 7a_100000210738_100009817552 [0,0,0,1,0,0|2,0,1]=4 6544 B13R1.90 CCC1CCCCC1OC[N+](=O)[O-] 34a_100000210738_100000761209 [0,0,0,1,0,0|2,0,1]=4 6545 B13R1.90 CCC1CCCCN1CCC(=O)C 269982a_100000210034_100000053229 [0,0,0,1,0,0|2,0,0]=3 6546 B13R1.90 CCC1CCCCN1CCC(=O)N 2230a_100000210034_100000744528 [0,0,0,1,0,0|2,0,0]=3 6547 B13R1.90 CCC1CCCCN1CCC(=O)N 269982a_100000210034_100000744528 [0,0,0,1,0,0|2,0,0]=3 6548 B13R1.90 CCC1CCCCN1CCC(=O)N 34a_100000210034_100000731001 [0,0,0,1,0,0|2,0,0]=3 6549 B13R1.90 CCC1CCCCN1CCC(C)O 2230a_100000210034_100012276601 [0,0,0,1,0,0|2,0,1]=4 6550 B13R1.90 CCC1CCCCN1CCC(C)O 269982a_100000210034_100012276601 [0,0,0,1,0,0|2,0,1]=4 6551 B13R1.90 CCC1CCCCN1CCC(C)O 34a_100000210034_100012276601 [0,0,0,1,0,0|2,0,1]=4 6552 B13R1.90 CCC1CCCCN1COC(=O)C 269982a_100000210034_100000076356 [0,0,0,1,0,0|3,0,0]=4 6553 B13R1.90 CCC1CCCCN1COC(=O)C 34a_100000210034_100009813279 [0,0,0,1,0,0|3,0,0]=4 6554 B13R1.90 CCN1CCCCC1CCC(=O)O 269956a_100000694054_100000210202 [0,0,0,1,0,0|1,0,0]=2 6555 B13R1.90 CCN1CCCCC1CNC(=O)C 11a_100000754393_100015343762 [0,0,0,1,0,0|3,0,0]=4 6556 B13R1.90 CCN1CCCCC1CNC(=O)C 1626a_100000754393_100015343762 [0,0,0,1,0,0|3,0,0]=4 6557 B13R1.90 CCN1CCCCC1CNC(=O)C 240690a_100000754393_100015343762 [0,0,0,1,0,0|3,0,0]=4 6558 B13R1.90 CCN1CCCCC1CNC(=O)C 527a_100000754393_100103153847 [0,0,0,1,0,0|3,0,0]=4 6559 B13R1.90 CC[C@H]1COCCN1CCC(=O)C 269982a_100016988097_100000053229 [0,0,0,1,0,0|3,0,0]=4 6560 B13R1.90 CC[C@H]1COCCN1CCC(=O)N 2230a_100016988097_100000744528 [0,0,0,1,0,0|3,0,0]=4 6561 B13R1.90 CC[C@H]1COCCN1CCC(=O)N 269982a_100016988097_100000744528 [0,0,0,1,0,0|3,0,0]=4 6562 B13R1.90 CC[C@H]1COCCN1CCC(=O)N 34a_100016988097_100000731001 [0,0,0,1,0,0|3,0,0]=4 6563 B13R1.90 CN[C@@H]1CCCC[C@H]1OCC(=O)N 34a_100000708425_100000187820 [0,0,0,1,0,0|3,0,0]=4 6564 B13R1.90 CN[C@@H]1CCCC[C@H]1OCC(=O)[O-] 34a_100000708425_100020667443 [0,0,0,1,0,0|2,0,1]=4 6565 B13R1.90 COC1CCCCC1NCC(=O)N 34a_100011208099_100000187820 [0,0,0,1,0,0|3,0,0]=4 6566 B13R1.90 COC1CCCCC1NCC(=O)[O-] 34a_100011208099_100020667443 [0,0,0,1,0,0|2,0,1]=4 6567 B13R1.90 CO[C@H]1CCCC[C@@H]1OCC(=O)N 34a_200009815850_100000187820 [0,0,0,1,0,0|3,0,0]=4 6568 B13R1.90 CO[C@H]1CCCC[C@@H]1OCC(=O)N 7a_200009815850_100000187820 [0,0,0,1,0,0|3,0,0]=4 6569 B13R1.90 CO[C@H]1CCCC[C@@H]1OCC(=O)[O-] 34a_200009815850_100020667443 [0,0,0,1,0,0|2,0,1]=4 6570 B13R1.90 NC(=O)CCN1CCCCC1CO 2230a_100000210821_100000744528 [0,0,0,1,0,0|3,0,0]=4 6571 B13R1.90 NC(=O)CCN1CCCCC1CO 269982a_100000210821_100000744528 [0,0,0,1,0,0|3,0,0]=4 6572 B13R1.90 NC(=O)CCN1CCCCC1CO 34a_100000210821_100000731001 [0,0,0,1,0,0|3,0,0]=4 6573 B13R1.90 NCC1CCCCC1OCC(=O)N 34a_100011216029_100000187820 [0,0,0,1,0,0|3,0,0]=4 6574 B13R1.90 NCC1CCCCC1OCC(=O)[O-] 34a_100011216029_100020667443 [0,0,0,1,0,0|2,0,1]=4 6575 B13R1.90 O=C(O)CCC1CCCCN1CF 269956a_100000694054_100015361967 [0,0,0,1,0,0|2,0,0]=3 6576 B13R1.103 CC(=O)CCCN1CCC[C@@H]1CO 269982a_100000745186_100011215641 [0,0,0,1,0,0|3,0,0]=4 6577 B13R1.103 CC(=O)CCCN1CCC[C@@H]1CO 34a_100000745186_100000685027 [0,0,0,1,0,0|3,0,0]=4 6578 B13R1.103 CCC1CCCC1NCCC(=O)N 269862a_100000740010_100000749056 [0,0,0,1,0,0|2,0,0]=3 6579 B13R1.103 CCC1CCCC1NCCC(C)O 269862a_200000755665_100000749056 [0,0,0,1,0,0|2,0,1]=4 6580 B13R1.103 CCC1CCCC1NCCC(C)O 270004a_200000755665_100000749056 [0,0,0,1,0,0|2,0,1]=4 6581 B13R1.103 CCC1CCCN1CCCC(=O)C 269982a_100000754278_100011215641 [0,0,0,1,0,0|2,0,0]=3 6582 B13R1.103 CCC1CCCN1CCCC(=O)C 34a_100000754278_100000685027 [0,0,0,1,0,0|2,0,0]=3 6583 B13R1.103 CCC1CCCN1CCCC(=O)N 269982a_100000754278_100102525003 [0,0,0,1,0,0|2,0,0]=3 6584 B13R1.103 CCC1CCCN1CCCC(=O)N 34a_100000754278_100102525003 [0,0,0,1,0,0|2,0,0]=3 6585 B13R1.103 CCC1CCCN1CCCC(C)O 2230a_100000754278_200000718107 [0,0,0,1,0,0|2,0,1]=4 6586 B13R1.103 CCC1CCCN1CCCC(C)O 269982a_100000754278_200000718107 [0,0,0,1,0,0|2,0,1]=4 6587 B13R1.103 CCC1CCCN1CCCC(C)O 34a_100000754278_200000718107 [0,0,0,1,0,0|2,0,1]=4 6588 B13R1.103 CCC1CCCN1CCNC(=O)C 2230a_100000754278_100000189650 [0,0,0,1,0,0|3,0,0]=4 6589 B13R1.103 CCC1CCCN1CCNC(=O)C 269982a_100000754278_100000189650 [0,0,0,1,0,0|3,0,0]=4 6590 B13R1.103 CCC1CCCN1CCNC(=O)N 2230a_100000754278_200000034859 [0,0,0,1,0,0|3,0,0]=4 6591 B13R1.103 CCC1CCCN1CCNC(=O)N 269982a_100000754278_200000034859 [0,0,0,1,0,0|3,0,0]=4 6592 B13R1.103 CCC1CCCN1CCOC(=O)C 269982a_100000754278_100009814007 [0,0,0,1,0,0|3,0,0]=4 6593 B13R1.103 CCC1CCCN1CCOC(=O)C 34a_100000754278_100009814007 [0,0,0,1,0,0|3,0,0]=4 6594 B13R1.103 CCC1CCCN1CCOC(=O)N 269982a_100000754278_200011214921 [0,0,0,1,0,0|3,0,0]=4 6595 B13R1.103 CCC1CCCN1CCOC(=O)N 34a_100000754278_200011214921 [0,0,0,1,0,0|3,0,0]=4 6596 B13R1.103 CCN1CCCC1CNCC(=O)N 2230a_100000211693_100000747473 [0,0,0,1,0,0|3,0,0]=4 6597 B13R1.103 CCN1CCC[C@@H]1COCC(=O)N 34a_100011739246_100000187820 [0,0,0,1,0,0|3,0,0]=4 6598 B13R1.103 CCN1CCC[C@@H]1COCC(=O)N 7a_100011739246_100000187820 [0,0,0,1,0,0|3,0,0]=4 6599 B13R1.103 CCN1CCC[C@@H]1COCC(=O)[O-] 34a_100011739246_100020667443 [0,0,0,1,0,0|2,0,1]=4 6600 B13R1.103 NC(=O)CCCN1CCC[C@@H]1CO 269982a_100000745186_100102525003 [0,0,0,1,0,0|3,0,0]=4 6601 B13R1.103 NC(=O)CCCN1CCC[C@@H]1CO 34a_100000745186_100102525003 [0,0,0,1,0,0|3,0,0]=4 6602 B13R1.158 C=C(C)CCNC1CCCCC1C 2230a_100000211402_100000730704 [0,0,0,1,0,0|3,0,0]=4 6603 B13R1.158 C=C(C)CCNC1CCCCC1C 34a_100000211402_100000730704 [0,0,0,1,0,0|3,0,0]=4 6604 B13R1.158 C=C(C)CCOC1CCCCC1C 34a_100000211207_100000730704 [0,0,0,1,0,0|3,0,0]=4 6605 B13R1.158 C=C(C)CCOC1CCCCC1C 7a_100000211207_100000730704 [0,0,0,1,0,0|3,0,0]=4 6606 B13R1.158 CC(=O)CCCN1CCCCC1C 269982a_100000211376_100011215641 [0,0,0,1,0,0|2,0,0]=3 6607 B13R1.158 CC(=O)CCCN1CCCCC1C 34a_100000211376_100000685027 [0,0,0,1,0,0|2,0,0]=3 6608 B13R1.158 CC(=O)CCCN1CCOC[C@@H]1C 269982a_100009815349_100011215641 [0,0,0,1,0,0|3,0,0]=4 6609 B13R1.158 CC(=O)CCCN1CCOC[C@@H]1C 34a_100009815349_100000685027 [0,0,0,1,0,0|3,0,0]=4 6610 B13R1.158 CC(=O)CCOC1CCCCC1C 7a_100000211207_100000053229 [0,0,0,1,0,0|2,0,0]=3 6611 B13R1.158 CC(=O)CCOC1CCCCC1Cl 7a_100000038908_100000053229 [0,0,0,1,0,0|3,0,0]=4 6612 B13R1.158 CC(=O)CCOC1CCCCC1F 34a_100000759926_100015423560 [0,0,0,1,0,0|3,0,0]=4 6613 B13R1.158 CC(=O)CCOC1CCCCC1O 34a_100000759926_100000038908 [0,0,0,1,0,0|3,0,0]=4 6614 B13R1.158 CC(=O)CCO[C@@H]1CCCC[C@H]1F 7a_100009816020_100000053229 [0,0,0,1,0,0|3,0,0]=4 6615 B13R1.158 CC(=O)CCSC1CCCCC1F 62a_100000053229_100015423560 [0,0,0,1,0,0|3,0,0]=4 6616 B13R1.158 CC(=O)CCSC1CCCCC1F 62a_100015423560_100000053229 [0,0,0,1,0,0|3,0,0]=4 6617 B13R1.158 CC(=O)CCSC1CCCCC1O 62a_100000038908_100000053229 [0,0,0,1,0,0|3,0,0]=4 6618 B13R1.158 CC(=O)CCSC1CCCCC1O 62a_100000053229_100000038908 [0,0,0,1,0,0|3,0,0]=4 6619 B13R1.158 CC(=O)COCC1CCCCN1C 34a_100000211253_100015186950 [0,0,0,1,0,0|3,0,0]=4 6620 B13R1.158 CC(=O)NCCC1CCCCN1C 2230a_200011221479_200000210301 [0,0,0,1,0,0|3,0,0]=4 6621 B13R1.158 CC(=O)NCCC1CCCCN1C 269982a_200011221479_200000210301 [0,0,0,1,0,0|3,0,0]=4 6622 B13R1.158 CC(=O)NCCC1CCCCN1C 34a_200011221479_200000210301 [0,0,0,1,0,0|3,0,0]=4 6623 B13R1.158 CC(=O)NCCC1CCCCN1[13CH3] 2230a_200011221479_200025704644 [0,0,0,1,0,0|3,0,0]=4 6624 B13R1.158 CC(=O)NCCC1CCCCN1[13CH3] 269982a_200011221479_200025704644 [0,0,0,1,0,0|3,0,0]=4 6625 B13R1.158 CC(=O)NCCC1CCCCN1[13CH3] 34a_200011221479_200025704644 [0,0,0,1,0,0|3,0,0]=4 6626 B13R1.158 CC(=O)NCCN1CCCCC1C 2230a_100000211376_100000189650 [0,0,0,1,0,0|3,0,0]=4 6627 B13R1.158 CC(=O)NCCN1CCCCC1C 240690a_100000739827_100015343762 [0,0,0,1,0,0|3,0,0]=4 6628 B13R1.158 CC(=O)NCCN1CCCCC1C 269982a_100000211376_100000189650 [0,0,0,1,0,0|3,0,0]=4 6629 B13R1.158 CC(=O)NCCN1CCCCC1C 527a_100000739827_100103153847 [0,0,0,1,0,0|3,0,0]=4 6630 B13R1.158 CC(=O)OCCN1CCCCC1C 269982a_100000211376_100009814007 [0,0,0,1,0,0|3,0,0]=4 6631 B13R1.158 CC(=O)OCCN1CCCCC1C 34a_100000211376_100009814007 [0,0,0,1,0,0|3,0,0]=4 6632 B13R1.158 CC(=O)OCNC1CCCCC1C 34a_100000211402_100009813279 [0,0,0,1,0,0|3,0,0]=4 6633 B13R1.158 CC(=O)OCOC1CCCCC1C 34a_100000211207_100009813279 [0,0,0,1,0,0|3,0,0]=4 6634 B13R1.158 CC(O)CCCN1CCCCC1C 2230a_100000211376_200000718107 [0,0,0,1,0,0|2,0,1]=4 6635 B13R1.158 CC(O)CCCN1CCCCC1C 269982a_100000211376_200000718107 [0,0,0,1,0,0|2,0,1]=4 6636 B13R1.158 CC(O)CCCN1CCCCC1C 34a_100000211376_200000718107 [0,0,0,1,0,0|2,0,1]=4 6637 B13R1.158 CC(O)CCNC1CCCCC1C 2230a_100000211402_100012276601 [0,0,0,1,0,0|2,0,1]=4 6638 B13R1.158 CC(O)CCNC1CCCCC1C 269862a_200000755665_100000210921 [0,0,0,1,0,0|2,0,1]=4 6639 B13R1.158 CC(O)CCNC1CCCCC1C 270004a_200000755665_100000210921 [0,0,0,1,0,0|2,0,1]=4 6640 B13R1.158 CC(O)CCNC1CCCCC1C 34a_100000211402_100012276601 [0,0,0,1,0,0|2,0,1]=4 6641 B13R1.158 CC(O)CCOC1CCCCC1C 34a_100000211207_100012276601 [0,0,0,1,0,0|2,0,1]=4 6642 B13R1.158 CC(O)CCOC1CCCCC1C 7a_100000211207_100012276601 [0,0,0,1,0,0|2,0,1]=4 6643 B13R1.158 CC1CCCCC1NCCC(=O)N 2230a_100000211402_100000744528 [0,0,0,1,0,0|2,0,0]=3 6644 B13R1.158 CC1CCCCC1NCCC(=O)N 269862a_100000740010_100000210921 [0,0,0,1,0,0|2,0,0]=3 6645 B13R1.158 CC1CCCCC1NCCC(=O)N 34a_100000211402_100000731001 [0,0,0,1,0,0|2,0,0]=3 6646 B13R1.158 CC1CCCCC1OCCC(=O)N 34a_100000211207_100000731001 [0,0,0,1,0,0|2,0,0]=3 6647 B13R1.158 CC1CCCCC1OCCC(=O)N 7a_100000211207_100000744528 [0,0,0,1,0,0|2,0,0]=3 6648 B13R1.158 CC1CCCCN1CCCC(=O)N 269982a_100000211376_100102525003 [0,0,0,1,0,0|2,0,0]=3 6649 B13R1.158 CC1CCCCN1CCCC(=O)N 34a_100000211376_100102525003 [0,0,0,1,0,0|2,0,0]=3 6650 B13R1.158 CC1CCCCN1CCNC(=O)N 2230a_100000211376_200000034859 [0,0,0,1,0,0|3,0,0]=4 6651 B13R1.158 CC1CCCCN1CCNC(=O)N 269982a_100000211376_200000034859 [0,0,0,1,0,0|3,0,0]=4 6652 B13R1.158 CC1CCCCN1CCOC(=O)N 269982a_100000211376_200011214921 [0,0,0,1,0,0|3,0,0]=4 6653 B13R1.158 CC1CCCCN1CCOC(=O)N 34a_100000211376_200011214921 [0,0,0,1,0,0|3,0,0]=4 6654 B13R1.158 CC1CCNCC1OCCC(=O)N 34a_100000696640_100000731001 [0,0,0,1,0,0|3,0,0]=4 6655 B13R1.158 CC1CNCCC1OCCC(=O)N 34a_100011998114_100000731001 [0,0,0,1,0,0|3,0,0]=4 6656 B13R1.158 CN1CCCCC1CNCC(=O)N 34a_100011228421_100000187820 [0,0,0,1,0,0|3,0,0]=4 6657 B13R1.158 CN1CCCCC1CNCC(=O)O 269956a_100016091260_100015185383 [0,0,0,1,0,0|2,0,0]=3 6658 B13R1.158 CN1CCCCC1CNCC(=O)[O-] 34a_100011228421_100020667443 [0,0,0,1,0,0|2,0,1]=4 6659 B13R1.158 CN1CCCCC1COCC(=O)N 34a_100000225079_100000187820 [0,0,0,1,0,0|3,0,0]=4 6660 B13R1.158 CN1CCCCC1COCC(=O)[O-] 34a_100000225079_100020667443 [0,0,0,1,0,0|2,0,1]=4 6661 B13R1.158 CN1CCCCC1CSCC(=O)N 62a_100000747473_100015185383 [0,0,0,1,0,0|3,0,0]=4 6662 B13R1.158 CN1CCCCC1CSCC(=O)N 62a_100015185383_100000747473 [0,0,0,1,0,0|3,0,0]=4 6663 B13R1.158 CN1CCCCC1CSCC(=O)[O-] 62a_100015185383_100020667443 [0,0,0,1,0,0|2,0,1]=4 6664 B13R1.158 CN1CCCCC1CSCC(=O)[O-] 62a_100020667443_100015185383 [0,0,0,1,0,0|2,0,1]=4 6665 B13R1.158 C[C@H]1COCCN1CCCC(=O)N 269982a_100009815349_100102525003 [0,0,0,1,0,0|3,0,0]=4 6666 B13R1.158 C[C@H]1COCCN1CCCC(=O)N 34a_100009815349_100102525003 [0,0,0,1,0,0|3,0,0]=4 6667 B13R1.158 NC(=O)CCN[C@@H]1CCCC[C@H]1F 2230a_100015195156_100000744528 [0,0,0,1,0,0|3,0,0]=4 6668 B13R1.158 NC(=O)CCN[C@@H]1CCCC[C@H]1F 34a_100015195156_100000731001 [0,0,0,1,0,0|3,0,0]=4 6669 B13R1.158 NC(=O)CCOC1CCCCC1Cl 34a_100000038908_100000731001 [0,0,0,1,0,0|3,0,0]=4 6670 B13R1.158 NC(=O)CCOC1CCCCC1Cl 7a_100000038908_100000744528 [0,0,0,1,0,0|3,0,0]=4 6671 B13R1.158 NC(=O)CCOC1CCCCC1F 34a_100000757172_100015423560 [0,0,0,1,0,0|3,0,0]=4 6672 B13R1.158 NC(=O)CCOC1CCCCC1O 34a_100000757172_100000038908 [0,0,0,1,0,0|3,0,0]=4 6673 B13R1.158 NC(=O)CCO[C@@H]1CCCC[C@H]1F 34a_100009816020_100000731001 [0,0,0,1,0,0|3,0,0]=4 6674 B13R1.158 NC(=O)CCO[C@@H]1CCCC[C@H]1F 7a_100009816020_100000744528 [0,0,0,1,0,0|3,0,0]=4 6675 B13R1.158 NC(=O)CCO[C@H]1CCCC[C@H]1N 34a_100015191688_100000731001 [0,0,0,1,0,0|3,0,0]=4 6676 B13R1.158 NC(=O)CCSC1CCCCC1F 62a_100000744528_100015423560 [0,0,0,1,0,0|3,0,0]=4 6677 B13R1.158 NC(=O)CCSC1CCCCC1F 62a_100015423560_100000744528 [0,0,0,1,0,0|3,0,0]=4 6678 B13R1.158 NC(=O)CCSC1CCCCC1O 62a_100000038908_100000744528 [0,0,0,1,0,0|3,0,0]=4 6679 B13R1.158 NC(=O)CCSC1CCCCC1O 62a_100000744528_100000038908 [0,0,0,1,0,0|3,0,0]=4 6680 B13R1.158 NC(=O)CNCC1CCCCC1O 34a_100011216029_100000187820 [0,0,0,1,0,0|3,0,0]=4 6681 B13R1.158 O=C(O)CONC1CCCCC1F 269956a_100000106656_100015423560 [0,0,0,1,0,0|3,0,0]=4 6682 B13R1.158 O=C(O)CONC1CCCCC1O 269956a_100000106656_100000038908 [0,0,0,1,0,0|3,0,0]=4 6683 B13R1.158 O=C([O-])CNCC1CCCCC1O 34a_100011216029_100020667443 [0,0,0,1,0,0|2,0,1]=4 6684 B13R1.167 CC(=O)CCCCN1CCC[C@@H]1C 269982a_100020605311_100000735457 [0,0,0,1,0,0|2,0,0]=3 6685 B13R1.167 CC(=O)CCCCN1CCC[C@H]1C 269982a_100015189458_100000735457 [0,0,0,1,0,0|2,0,0]=3 6686 B13R1.167 CC(=O)CCCCN1CCC[C@H]1C 34a_100015189458_100009817362 [0,0,0,1,0,0|2,0,0]=3 6687 B13R1.167 CC(=O)CCCCN1CCSC1C 269982a_200011216479_100000735457 [0,0,0,1,0,0|3,0,0]=4 6688 B13R1.167 CC(=O)CCCCN1CCSC1C 34a_200011216479_100009817362 [0,0,0,1,0,0|3,0,0]=4 6689 B13R1.167 CC(=O)CCCOC1CCCC1C 34a_100011216460_100000685027 [0,0,0,1,0,0|2,0,0]=3 6690 B13R1.167 CC(=O)CCCOC1CCCC1C 7a_100011216460_100011215641 [0,0,0,1,0,0|2,0,0]=3 6691 B13R1.167 CC(=O)CCCO[C@@H]1CCC[C@H]1Cl 34a_200016002552_100000685027 [0,0,0,1,0,0|3,0,0]=4 6692 B13R1.167 CC(=O)CCCO[C@H]1CCC[C@@H]1N 34a_100000748460_100000685027 [0,0,0,1,0,0|3,0,0]=4 6693 B13R1.167 CC(=O)CCCO[C@H]1CNC[C@H]1C 34a_200015306588_100000685027 [0,0,0,1,0,0|3,0,0]=4 6694 B13R1.167 CC(=O)CCCS[C@@H]1CCC[C@H]1O 62a_100011215641_200016002552 [0,0,0,1,0,0|3,0,0]=4 6695 B13R1.167 CC(=O)CCCS[C@@H]1CCC[C@H]1O 62a_200016002552_100011215641 [0,0,0,1,0,0|3,0,0]=4 6696 B13R1.167 CC(=O)COCCC1CCCN1C 34a_100000211253_100000005710 [0,0,0,1,0,0|3,0,0]=4 6697 B13R1.167 CC(=O)NCCNC1CCCC1C 269862a_100000209853_100000752053 [0,0,0,1,0,0|3,0,0]=4 6698 B13R1.167 CC(=O)NCCOC1CCCC1C 7a_100011216460_100000189650 [0,0,0,1,0,0|3,0,0]=4 6699 B13R1.167 CC(=O)OCCCN1CCC[C@@H]1C 269982a_100020605311_100000042594 [0,0,0,1,0,0|3,0,0]=4 6700 B13R1.167 CC(=O)OCCCN1CCC[C@H]1C 269982a_100015189458_100000042594 [0,0,0,1,0,0|3,0,0]=4 6701 B13R1.167 CC(=O)OCCCN1CCC[C@H]1C 34a_100015189458_100000042594 [0,0,0,1,0,0|3,0,0]=4 6702 B13R1.167 CC(=O)OCCOC1CCCC1C 34a_100011216460_100009814007 [0,0,0,1,0,0|3,0,0]=4 6703 B13R1.167 CC(=O)OCCOC1CCCC1C 7a_100011216460_100009814007 [0,0,0,1,0,0|3,0,0]=4 6704 B13R1.167 CC(=O)SCCCN1CCC[C@@H]1C 2230a_100020605311_100000038929 [0,0,0,1,0,0|3,0,0]=4 6705 B13R1.167 CC(=O)SCCCN1CCC[C@@H]1C 269982a_100020605311_100000038929 [0,0,0,1,0,0|3,0,0]=4 6706 B13R1.167 CC(=O)SCCCN1CCC[C@H]1C 2230a_100015189458_100000038929 [0,0,0,1,0,0|3,0,0]=4 6707 B13R1.167 CC(=O)SCCCN1CCC[C@H]1C 269982a_100015189458_100000038929 [0,0,0,1,0,0|3,0,0]=4 6708 B13R1.167 CC(=O)SCCCN1CCC[C@H]1C 34a_100015189458_100000038929 [0,0,0,1,0,0|3,0,0]=4 6709 B13R1.167 CC(=O)SCCNC1CCCC1C 269862a_100020647217_100000752053 [0,0,0,1,0,0|3,0,0]=4 6710 B13R1.167 CC(O)CCCOC1CCCC1C 34a_100011216460_200000718107 [0,0,0,1,0,0|2,0,1]=4 6711 B13R1.167 CC(O)CCCOC1CCCC1C 7a_100011216460_200000718107 [0,0,0,1,0,0|2,0,1]=4 6712 B13R1.167 CC1CCCC1NCCCC(=O)N 269862a_100000739312_100000752053 [0,0,0,1,0,0|2,0,0]=3 6713 B13R1.167 CC1CCCC1NCCNC(=O)N 269862a_100020590234_100000752053 [0,0,0,1,0,0|3,0,0]=4 6714 B13R1.167 CC1CCCC1OCCCC(=O)N 34a_100011216460_100102525003 [0,0,0,1,0,0|2,0,0]=3 6715 B13R1.167 CC1CCCC1OCCCC(=O)N 7a_100011216460_100102525003 [0,0,0,1,0,0|2,0,0]=3 6716 B13R1.167 CC1CCCC1OCCNC(=O)N 7a_100011216460_200000034859 [0,0,0,1,0,0|3,0,0]=4 6717 B13R1.167 CC1CCCC1OCCOC(=O)N 34a_100011216460_200011214921 [0,0,0,1,0,0|3,0,0]=4 6718 B13R1.167 CC1CCCC1OCCOC(=O)N 7a_100011216460_200011214921 [0,0,0,1,0,0|3,0,0]=4 6719 B13R1.167 CN1CCCC1CCNCC(=O)N 2230a_100000711301_100000005710 [0,0,0,1,0,0|3,0,0]=4 6720 B13R1.167 CN1CCCC1CCNCC(=O)O 269956a_100016091260_100000005710 [0,0,0,1,0,0|2,0,0]=3 6721 B13R1.167 CN1CCCC1CCOCC(=O)N 34a_100011215177_100000187820 [0,0,0,1,0,0|3,0,0]=4 6722 B13R1.167 CN1CCCC1CCOCC(=O)N 7a_100011215177_100000187820 [0,0,0,1,0,0|3,0,0]=4 6723 B13R1.167 CN1CCCC1CCOCC(=O)[O-] 34a_100011215177_100020667443 [0,0,0,1,0,0|2,0,1]=4 6724 B13R1.167 CN1CCCC1CCSCC(=O)N 62a_100000005710_100000747473 [0,0,0,1,0,0|3,0,0]=4 6725 B13R1.167 CN1CCCC1CCSCC(=O)N 62a_100000747473_100000005710 [0,0,0,1,0,0|3,0,0]=4 6726 B13R1.167 CN1CCCC1CCSCC(=O)[O-] 62a_100000005710_100020667443 [0,0,0,1,0,0|2,0,1]=4 6727 B13R1.167 CN1CCCC1CCSCC(=O)[O-] 62a_100020667443_100000005710 [0,0,0,1,0,0|2,0,1]=4 6728 B13R1.167 CN1CCCC1COCCC(=O)N 34a_100000743107_100000731001 [0,0,0,1,0,0|3,0,0]=4 6729 B13R1.167 C[C@@H]1CCCN1CCCCB(O)O 2230a_100015189458_200009817182 [0,0,0,1,0,0|2,0,1]=4 6730 B13R1.167 C[C@@H]1CCCN1CCCCB(O)O 269982a_100015189458_200009817182 [0,0,0,1,0,0|2,0,1]=4 6731 B13R1.167 C[C@@H]1CCCN1CCCCB(O)O 34a_100015189458_200009817182 [0,0,0,1,0,0|2,0,1]=4 6732 B13R1.167 C[C@@H]1CCCN1CCOCC(=O)N 2230a_100015189458_100000076697 [0,0,0,1,0,0|3,0,0]=4 6733 B13R1.167 C[C@@H]1CCCN1CCOCC(=O)N 269982a_100015189458_100000076697 [0,0,0,1,0,0|3,0,0]=4 6734 B13R1.167 C[C@@H]1CCCN1CCOCC(=O)N 34a_100015189458_100000076697 [0,0,0,1,0,0|3,0,0]=4 6735 B13R1.167 C[C@@H]1CNC[C@@H]1OCCCC(=O)N 34a_200015306588_100102525003 [0,0,0,1,0,0|3,0,0]=4 6736 B13R1.167 C[C@H]1CCCN1CCCCB(O)O 2230a_100020605311_200009817182 [0,0,0,1,0,0|2,0,1]=4 6737 B13R1.167 C[C@H]1CCCN1CCCCB(O)O 269982a_100020605311_200009817182 [0,0,0,1,0,0|2,0,1]=4 6738 B13R1.167 C[C@H]1CCCN1CCOCC(=O)N 2230a_100020605311_100000076697 [0,0,0,1,0,0|3,0,0]=4 6739 B13R1.167 C[C@H]1CCCN1CCOCC(=O)N 269982a_100020605311_100000076697 [0,0,0,1,0,0|3,0,0]=4 6740 B13R1.167 NC(=O)CCCO[C@@H]1CCC[C@H]1Cl 34a_200016002552_100102525003 [0,0,0,1,0,0|3,0,0]=4 6741 B13R1.167 NC(=O)CCCO[C@H]1CCC[C@@H]1N 34a_100000748460_100102525003 [0,0,0,1,0,0|3,0,0]=4 6742 B13R1.167 NC(=O)CCCS[C@@H]1CCC[C@H]1O 62a_100102525003_200016002552 [0,0,0,1,0,0|3,0,0]=4 6743 B13R1.167 NC(=O)CCCS[C@@H]1CCC[C@H]1O 62a_200016002552_100102525003 [0,0,0,1,0,0|3,0,0]=4 6744 B13R1.193 CCCCCN[C@@H]1CCC[C@@]1(C)O 2230a_100015977457_100000210326 [0,0,0,1,0,0|2,0,1]=4 6745 B13R1.193 CCCCCN[C@@H]1CCC[C@@]1(C)O 34a_100015977457_100000718602 [0,0,0,1,0,0|2,0,1]=4 6746 B13R1.198 CC(=O)CCCCOCC1CC1C 34a_100000744939_100009817362 [0,0,0,1,0,0|2,0,0]=3 6747 B13R1.198 CC(=O)CCCCOCC1CC1C 7a_100000744939_100000735457 [0,0,0,1,0,0|2,0,0]=3 6748 B13R1.198 CC(=O)OCCCOCC1CC1C 34a_100000744939_100000042594 [0,0,0,1,0,0|3,0,0]=4 6749 B13R1.198 CC(=O)OCCCOCC1CC1C 7a_100000744939_100000042594 [0,0,0,1,0,0|3,0,0]=4 6750 B13R1.198 CC(=O)SCCCOCC1CC1C 34a_100000744939_100000038929 [0,0,0,1,0,0|3,0,0]=4 6751 B13R1.198 CC(=O)SCCCOCC1CC1C 7a_100000744939_100000038929 [0,0,0,1,0,0|3,0,0]=4 6752 B13R1.198 CC1CC1COCCCCB(O)O 34a_100000744939_200009817182 [0,0,0,1,0,0|2,0,1]=4 6753 B13R1.198 CC1CC1COCCCCB(O)O 7a_100000744939_200009817182 [0,0,0,1,0,0|2,0,1]=4 6754 B13R1.198 CC1CC1COCCOCC(=O)N 34a_100000744939_100000076697 [0,0,0,1,0,0|3,0,0]=4 6755 B13R1.198 CC1CC1COCCOCC(=O)N 7a_100000744939_100000076697 [0,0,0,1,0,0|3,0,0]=4 6756 B13R1.198 NC(=O)CCCCCN[C@@H]1C[C@@H]1F 2230a_100015190264_100009817443 [0,0,0,1,0,0|3,0,0]=4 6757 B13R1.198 NC(=O)CCCCCN[C@@H]1C[C@H]1F 2230a_100025746932_100009817443 [0,0,0,1,0,0|3,0,0]=4 6758 B13R1.198 NC(=O)CCCCCN[C@@H]1C[C@H]1F 34a_100025746932_100009817443 [0,0,0,1,0,0|3,0,0]=4 6759 B13R1.218 COCC1CCN1CCCC(=O)C 269982a_100015195929_100011215641 [0,0,0,1,0,0|3,0,0]=4 6760 B13R1.218 COCC1CCN1CCCC(=O)C 34a_100015195929_100000685027 [0,0,0,1,0,0|3,0,0]=4 6761 B13R1.218 COCC1CCN1CCCC(=O)N 269982a_100015195929_100102525003 [0,0,0,1,0,0|3,0,0]=4 6762 B13R1.218 COCC1CCN1CCCC(=O)N 34a_100015195929_100102525003 [0,0,0,1,0,0|3,0,0]=4 6763 B13R1.224 C#CCN1CCCCCC1C(=O)O 269956a_100000758484_100000184674 [0,0,0,1,0,0|1,0,2]=4 6764 B13R1.224 C=CCN1CCCCCC1C(=O)O 269956a_100000758484_100000210623 [0,0,0,1,0,0|1,0,2]=4 6765 B13R1.224 CCCN1CCCCCC1C(=O)O 269956a_100000758484_100000210207 [0,0,0,1,0,0|1,0,0]=2 6766 B13R1.224 COCN1CCCCCC1C(=O)O 269956a_100000758484_100000766300 [0,0,0,1,0,0|2,0,0]=3 6767 B13R1.224 CSCN1CCCCCC1C(=O)O 269956a_100000758484_100011218213 [0,0,0,1,0,0|2,0,0]=3 6768 B13R1.224 N#CCN1CCCCCC1C(=O)O 269956a_100000758484_100011215382 [0,0,0,1,0,0|2,0,1]=4 6769 B13R1.224 O=C(O)C1CCCCCN1CCF 269956a_100000758484_100011217306 [0,0,0,1,0,0|2,0,0]=3 6770 B13R1.224 O=C(O)C1CCCCCN1CCO 269956a_100000758484_100000211926 [0,0,0,1,0,0|2,0,0]=3 6771 B13R1.224 O=CCN1CCCCCC1C(=O)O 269956a_100000758484_200015260668 [0,0,0,1,0,0|2,0,1]=4 6772 B13R1.280 O=C(O)CNC1CCCCCC1=O 269956a_100016091260_100000243696 [0,0,0,1,0,0|2,0,1]=4 6773 B13R1.297 CC(=O)OCCCCN1CCC1C 269982a_100000755817_100000033659 [0,0,0,1,0,0|3,0,0]=4 6774 B13R1.297 CC(=O)OCCCCN1CCC1C 34a_100000755817_100000033659 [0,0,0,1,0,0|3,0,0]=4 6775 B13R1.297 CC(=O)SCCCCN1CCC1C 269982a_100000755817_200010402107 [0,0,0,1,0,0|3,0,0]=4 6776 B13R1.297 CC(=O)SCCCCN1CCC1C 34a_100000755817_200010402107 [0,0,0,1,0,0|3,0,0]=4 6777 B13R1.297 CC1CCN1CCCCCB(O)O 269982a_100000755817_200009817188 [0,0,0,1,0,0|2,0,1]=4 6778 B13R1.297 CC1CCN1CCCCCB(O)O 34a_100000755817_200009817188 [0,0,0,1,0,0|2,0,1]=4 6779 B13R1.297 CC1CCN1CCCCCC(=O)N 269982a_100000755817_100009817443 [0,0,0,1,0,0|2,0,0]=3 6780 B13R1.297 CC1CCN1CCCCCC(=O)N 34a_100000755817_100009817443 [0,0,0,1,0,0|2,0,0]=3 6781 B13R1.337 C=C(Br)CCOCC1CCCCC1 34a_100009813270_100000211423 [0,0,0,1,0,0|3,0,0]=4 6782 B13R1.337 C=C(C)CCNCC1CCCCC1 2230a_100000210473_100000730704 [0,0,0,1,0,0|3,0,0]=4 6783 B13R1.337 C=C(C)CCNCC1CCCCC1 34a_100000210473_100000730704 [0,0,0,1,0,0|3,0,0]=4 6784 B13R1.337 C=C(C)CCOCC1CCCCC1 34a_100000212181_100000730704 [0,0,0,1,0,0|3,0,0]=4 6785 B13R1.337 C=C(C)CCOCC1CCCCC1 34a_100000764851_100000211423 [0,0,0,1,0,0|3,0,0]=4 6786 B13R1.337 C=C(C)CCOCC1CCCCC1 7a_100000212181_100000730704 [0,0,0,1,0,0|3,0,0]=4 6787 B13R1.337 C=C(C)CCSCC1CCCCC1 62a_100000211423_100000730704 [0,0,0,1,0,0|3,0,0]=4 6788 B13R1.337 C=C(C)CCSCC1CCCCC1 62a_100000730704_100000211423 [0,0,0,1,0,0|3,0,0]=4 6789 B13R1.337 C=C(C)CNCCC1CCCCC1 2230a_100000738074_100000748629 [0,0,0,1,0,0|3,0,0]=4 6790 B13R1.337 C=C(C)CNCCC1CCCCC1 34a_100000738074_100000748629 [0,0,0,1,0,0|3,0,0]=4 6791 B13R1.337 C=C(C)COCCC1CCCCC1 34a_100000210245_100011209188 [0,0,0,1,0,0|3,0,0]=4 6792 B13R1.337 C=C(C)COCCC1CCCCC1 34a_100011217863_100000748629 [0,0,0,1,0,0|3,0,0]=4 6793 B13R1.337 C=C(C)COCCC1CCCCC1 7a_100011217863_100000748629 [0,0,0,1,0,0|3,0,0]=4 6794 B13R1.337 C=C(C)CSCCC1CCCCC1 62a_100000748629_100012355289 [0,0,0,1,0,0|3,0,0]=4 6795 B13R1.337 C=C(C)CSCCC1CCCCC1 62a_100012355289_100000211660 [0,0,0,1,0,0|3,0,0]=4 6796 B13R1.337 C=C(F)CNCCC1CCCCC1 2230a_100000738074_100009893438 [0,0,0,1,0,0|3,0,0]=4 6797 B13R1.337 C=C(F)CNCCC1CCCCC1 34a_100000738074_100009893438 [0,0,0,1,0,0|3,0,0]=4 6798 B13R1.337 C=C(F)COCCC1CCCCC1 34a_100011217863_100009893438 [0,0,0,1,0,0|3,0,0]=4 6799 B13R1.337 C=C(F)COCCC1CCCCC1 34a_200010262243_100011209188 [0,0,0,1,0,0|3,0,0]=4 6800 B13R1.337 C=C(F)COCCC1CCCCC1 7a_100011217863_100000042424 [0,0,0,1,0,0|3,0,0]=4 6801 B13R1.337 C=C(F)CSCCC1CCCCC1 62a_100000042424_100012355289 [0,0,0,1,0,0|3,0,0]=4 6802 B13R1.337 C=C(F)CSCCC1CCCCC1 62a_100012355289_100000042424 [0,0,0,1,0,0|3,0,0]=4 6803 B13R1.337 CC(=O)CCCCC1CCCCC1 1458a_200011215547_200000210301 [0,0,0,1,0,0|1,0,0]=2 6804 B13R1.337 CC(=O)CCCCN1CCCCC1 1458a_100000754417_200000210301 [0,0,0,1,0,0|2,0,0]=3 6805 B13R1.337 CC(=O)CCCCN1CCCOC1 269982a_100000131196_100000735457 [0,0,0,1,0,0|3,0,0]=4 6806 B13R1.337 CC(=O)CCCCN1CCCOC1 34a_100000131196_100009817362 [0,0,0,1,0,0|3,0,0]=4 6807 B13R1.337 CC(=O)CCCCN1CCOCC1 269982a_100015191051_100000735457 [0,0,0,1,0,0|3,0,0]=4 6808 B13R1.337 CC(=O)CCCCN1CCOCC1 34a_100015191051_100009817362 [0,0,0,1,0,0|3,0,0]=4 6809 B13R1.337 CC(=O)CCCCN1CCSCC1 269982a_100000737611_100000735457 [0,0,0,1,0,0|3,0,0]=4 6810 B13R1.337 CC(=O)CCCNC1CCCCC1 34a_100000182618_100000685027 [0,0,0,1,0,0|2,0,0]=3 6811 B13R1.337 CC(=O)CCCNC1CCCOC1 34a_100000719290_100000685027 [0,0,0,1,0,0|3,0,0]=4 6812 B13R1.337 CC(=O)CCCNC1CCOCC1 34a_100000741149_100000685027 [0,0,0,1,0,0|3,0,0]=4 6813 B13R1.337 CC(=O)CCCNC1CCSCC1 34a_100000748639_100000685027 [0,0,0,1,0,0|3,0,0]=4 6814 B13R1.337 CC(=O)CCCOC1CCCCC1 34a_100000210231_100000685027 [0,0,0,1,0,0|2,0,0]=3 6815 B13R1.337 CC(=O)CCCOC1CCCCC1 34a_100000759063_100000210327 [0,0,0,1,0,0|2,0,0]=3 6816 B13R1.337 CC(=O)CCCOC1CCCCC1 7a_100000210231_100011215641 [0,0,0,1,0,0|2,0,0]=3 6817 B13R1.337 CC(=O)CCCOC1CCCCC1 7a_100000759063_100000210327 [0,0,0,1,0,0|2,0,0]=3 6818 B13R1.337 CC(=O)CCCOC1CCCCO1 1458a_100000070787_100000700653 [0,0,0,1,0,0|3,0,0]=4 6819 B13R1.337 CC(=O)CCCOC1CCCCO1 34a_100000033831_100000685027 [0,0,0,1,0,0|3,0,0]=4 6820 B13R1.337 CC(=O)CCCOC1CCCOC1 34a_100000754041_100000685027 [0,0,0,1,0,0|3,0,0]=4 6821 B13R1.337 CC(=O)CCCOC1CCCOC1 34a_100000759063_100000693364 [0,0,0,1,0,0|3,0,0]=4 6822 B13R1.337 CC(=O)CCCOC1CCCOC1 7a_100000759063_100000693364 [0,0,0,1,0,0|3,0,0]=4 6823 B13R1.337 CC(=O)CCCOC1CCCSC1 7a_100015962668_100011215641 [0,0,0,1,0,0|3,0,0]=4 6824 B13R1.337 CC(=O)CCCOC1CCOCC1 34a_100000744328_100000685027 [0,0,0,1,0,0|3,0,0]=4 6825 B13R1.337 CC(=O)CCCOC1CCOCC1 7a_100000759063_100000686592 [0,0,0,1,0,0|3,0,0]=4 6826 B13R1.337 CC(=O)CCCOC1CCSCC1 34a_100000731022_100000685027 [0,0,0,1,0,0|3,0,0]=4 6827 B13R1.337 CC(=O)CCCOC1CCSCC1 34a_100000759063_100000069128 [0,0,0,1,0,0|3,0,0]=4 6828 B13R1.337 CC(=O)CCCOC1CCSCC1 7a_100000731022_100011215641 [0,0,0,1,0,0|3,0,0]=4 6829 B13R1.337 CC(=O)CCCOC1CCSCC1 7a_100000759063_100011500858 [0,0,0,1,0,0|3,0,0]=4 6830 B13R1.337 CC(=O)CCCSC1CCCCC1 62a_100000210327_100011215641 [0,0,0,1,0,0|2,0,0]=3 6831 B13R1.337 CC(=O)CCCSC1CCCCC1 62a_100011215641_100000210327 [0,0,0,1,0,0|2,0,0]=3 6832 B13R1.337 CC(=O)CCCSC1CCCOC1 62a_100011215641_100000693364 [0,0,0,1,0,0|3,0,0]=4 6833 B13R1.337 CC(=O)CCCSC1CCOCC1 62a_100011215641_100011324220 [0,0,0,1,0,0|3,0,0]=4 6834 B13R1.337 CC(=O)CCCSC1CCSCC1 62a_100011215641_100000069128 [0,0,0,1,0,0|3,0,0]=4 6835 B13R1.337 CC(=O)CCOCC1CCCCC1 34a_100000759926_100000211423 [0,0,0,1,0,0|2,0,0]=3 6836 B13R1.337 CC(=O)CCOCC1CCCCC1 7a_100000212181_100000053229 [0,0,0,1,0,0|2,0,0]=3 6837 B13R1.337 CC(=O)CCOCC1CCCCC1 7a_100000759926_100000211423 [0,0,0,1,0,0|2,0,0]=3 6838 B13R1.337 CC(=O)CCOCC1CCCCO1 34a_100000759926_100000211543 [0,0,0,1,0,0|3,0,0]=4 6839 B13R1.337 CC(=O)CCOCC1CCCCO1 7a_100000211370_100000053229 [0,0,0,1,0,0|3,0,0]=4 6840 B13R1.337 CC(=O)CCOCC1CCCCO1 7a_100000759926_100000211543 [0,0,0,1,0,0|3,0,0]=4 6841 B13R1.337 CC(=O)CCOCC1CCCOC1 34a_100000759926_100000741521 [0,0,0,1,0,0|3,0,0]=4 6842 B13R1.337 CC(=O)CCOCC1CCCOC1 7a_100000759926_100000741521 [0,0,0,1,0,0|3,0,0]=4 6843 B13R1.337 CC(=O)CCOCC1CCOCC1 34a_100000759926_100000754603 [0,0,0,1,0,0|3,0,0]=4 6844 B13R1.337 CC(=O)CCOCC1CCOCC1 7a_100000759926_100000754603 [0,0,0,1,0,0|3,0,0]=4 6845 B13R1.337 CC(=O)CCOCC1CCSCC1 7a_100000070558_100000053229 [0,0,0,1,0,0|3,0,0]=4 6846 B13R1.337 CC(=O)CCSCC1CCCCC1 62a_100000053229_100000211423 [0,0,0,1,0,0|2,0,0]=3 6847 B13R1.337 CC(=O)CCSCC1CCCCC1 62a_100000211423_100000053229 [0,0,0,1,0,0|2,0,0]=3 6848 B13R1.337 CC(=O)CCSCC1CCCCO1 62a_100000053229_100000211543 [0,0,0,1,0,0|3,0,0]=4 6849 B13R1.337 CC(=O)CCSCC1CCCCO1 62a_100000211543_100000053229 [0,0,0,1,0,0|3,0,0]=4 6850 B13R1.337 CC(=O)CCSCC1CCCOC1 62a_100000053229_100000741521 [0,0,0,1,0,0|3,0,0]=4 6851 B13R1.337 CC(=O)CCSCC1CCCOC1 62a_100000741521_100000053229 [0,0,0,1,0,0|3,0,0]=4 6852 B13R1.337 CC(=O)CCSCC1CCOCC1 62a_100000053229_100000749018 [0,0,0,1,0,0|3,0,0]=4 6853 B13R1.337 CC(=O)CCSCC1CCOCC1 62a_100000754603_100000053229 [0,0,0,1,0,0|3,0,0]=4 6854 B13R1.337 CC(=O)COCCC1CCCCC1 34a_100000211253_100011209188 [0,0,0,1,0,0|2,0,0]=3 6855 B13R1.337 CC(=O)COCCC1CCOCC1 34a_100000211253_100011934994 [0,0,0,1,0,0|3,0,0]=4 6856 B13R1.337 CC(=O)COCCN1CCCCC1 34a_100000211253_100000739454 [0,0,0,1,0,0|3,0,0]=4 6857 B13R1.337 CC(=O)COCOC1CCCCC1 34a_100000211253_100011935260 [0,0,0,1,0,0|3,0,0]=4 6858 B13R1.337 CC(=O)NCCCC1CCCCC1 11a_100011211642_100015343762 [0,0,0,1,0,0|2,0,0]=3 6859 B13R1.337 CC(=O)NCCCC1CCCCC1 1626a_100011211642_100015343762 [0,0,0,1,0,0|2,0,0]=3 6860 B13R1.337 CC(=O)NCCCC1CCCCC1 240690a_100011211642_100015343762 [0,0,0,1,0,0|2,0,0]=3 6861 B13R1.337 CC(=O)NCCCC1CCCCC1 527a_100011211642_100103153847 [0,0,0,1,0,0|2,0,0]=3 6862 B13R1.337 CC(=O)NCCCN1CCCCC1 240690a_100000204581_100015343762 [0,0,0,1,0,0|3,0,0]=4 6863 B13R1.337 CC(=O)NCCCN1CCCCC1 527a_100000204581_100103153847 [0,0,0,1,0,0|3,0,0]=4 6864 B13R1.337 CC(=O)NCCNC1CCCCC1 2230a_100000182618_100000189650 [0,0,0,1,0,0|3,0,0]=4 6865 B13R1.337 CC(=O)NCCOC1CCCCC1 11a_100015206981_100015343762 [0,0,0,1,0,0|3,0,0]=4 6866 B13R1.337 CC(=O)NCCOC1CCCCC1 1626a_100015206981_100015343762 [0,0,0,1,0,0|3,0,0]=4 6867 B13R1.337 CC(=O)NCCOC1CCCCC1 240690a_100015206981_100015343762 [0,0,0,1,0,0|3,0,0]=4 6868 B13R1.337 CC(=O)NCCOC1CCCCC1 34a_100000158858_100000210327 [0,0,0,1,0,0|3,0,0]=4 6869 B13R1.337 CC(=O)NCCOC1CCCCC1 527a_100015206981_100103153847 [0,0,0,1,0,0|3,0,0]=4 6870 B13R1.337 CC(=O)NCCOC1CCCCC1 7a_100000210231_100000189650 [0,0,0,1,0,0|3,0,0]=4 6871 B13R1.337 CC(=O)NCCSC1CCCCC1 62a_100000189650_100000210327 [0,0,0,1,0,0|3,0,0]=4 6872 B13R1.337 CC(=O)NCCSC1CCCCC1 62a_100000210327_100000189650 [0,0,0,1,0,0|3,0,0]=4 6873 B13R1.337 CC(=O)OCCNC1CCCCC1 34a_100000182618_100009814007 [0,0,0,1,0,0|3,0,0]=4 6874 B13R1.337 CC(=O)OCCOC1CCCCC1 34a_100000210231_100009814007 [0,0,0,1,0,0|3,0,0]=4 6875 B13R1.337 CC(=O)OCCOC1CCCCC1 7a_100000210231_100009814007 [0,0,0,1,0,0|3,0,0]=4 6876 B13R1.337 CC(=O)OCCSC1CCCCC1 62a_100000210327_100009814007 [0,0,0,1,0,0|3,0,0]=4 6877 B13R1.337 CC(=O)OCCSC1CCCCC1 62a_100009814007_100000210327 [0,0,0,1,0,0|3,0,0]=4 6878 B13R1.337 CC(=O)OCNCC1CCCCC1 34a_100000210473_100009813279 [0,0,0,1,0,0|3,0,0]=4 6879 B13R1.337 CC(=O)OCOCC1CCCCC1 34a_100000212181_100009813279 [0,0,0,1,0,0|3,0,0]=4 6880 B13R1.337 CC(=O)OCSCC1CCCCC1 62a_100000076356_100000211423 [0,0,0,1,0,0|3,0,0]=4 6881 B13R1.337 CC(=O)OCSCC1CCCCC1 62a_100000211423_100000076356 [0,0,0,1,0,0|3,0,0]=4 6882 B13R1.337 CC(O)CCCNC1CCCCC1 2230a_100000182618_200000718107 [0,0,0,1,0,0|2,0,1]=4 6883 B13R1.337 CC(O)CCCNC1CCCCC1 34a_100000182618_200000718107 [0,0,0,1,0,0|2,0,1]=4 6884 B13R1.337 CC(O)CCCOC1CCCCC1 34a_100000210231_200000718107 [0,0,0,1,0,0|2,0,1]=4 6885 B13R1.337 CC(O)CCCOC1CCCCC1 7a_100000210231_200000718107 [0,0,0,1,0,0|2,0,1]=4 6886 B13R1.337 CC(O)CCCSC1CCCCC1 62a_100000210327_200000718107 [0,0,0,1,0,0|2,0,1]=4 6887 B13R1.337 CC(O)CCCSC1CCCCC1 62a_200000718107_100000210327 [0,0,0,1,0,0|2,0,1]=4 6888 B13R1.337 CC(O)CCNCC1CCCCC1 2230a_100000210473_100012276601 [0,0,0,1,0,0|2,0,1]=4 6889 B13R1.337 CC(O)CCNCC1CCCCC1 2230a_200000755665_100000211423 [0,0,0,1,0,0|2,0,1]=4 6890 B13R1.337 CC(O)CCNCC1CCCCC1 269862a_200000755665_100000211278 [0,0,0,1,0,0|2,0,1]=4 6891 B13R1.337 CC(O)CCNCC1CCCCC1 34a_100000210473_100012276601 [0,0,0,1,0,0|2,0,1]=4 6892 B13R1.337 CC(O)CCOCC1CCCCC1 34a_100000212181_100012276601 [0,0,0,1,0,0|2,0,1]=4 6893 B13R1.337 CC(O)CCOCC1CCCCC1 7a_100000212181_100012276601 [0,0,0,1,0,0|2,0,1]=4 6894 B13R1.337 CC(O)CCSCC1CCCCC1 62a_100000211423_100012276601 [0,0,0,1,0,0|2,0,1]=4 6895 B13R1.337 CC(O)CCSCC1CCCCC1 62a_100012276601_100000211423 [0,0,0,1,0,0|2,0,1]=4 6896 B13R1.337 CC(O)CNCCC1CCCCC1 2230a_100000210904_100012355289 [0,0,0,1,0,0|2,0,1]=4 6897 B13R1.337 CC(O)CNCCC1CCCCC1 2230a_100000738074_100011218427 [0,0,0,1,0,0|2,0,1]=4 6898 B13R1.337 CC(O)CNCCC1CCCCC1 270004a_100000210904_100011713444 [0,0,0,1,0,0|2,0,1]=4 6899 B13R1.337 CC(O)CNCCC1CCCCC1 34a_100000210904_100011209188 [0,0,0,1,0,0|2,0,1]=4 6900 B13R1.337 CC(O)CNCCC1CCCCC1 34a_100000738074_100011218427 [0,0,0,1,0,0|2,0,1]=4 6901 B13R1.337 CC(O)COCCC1CCCCC1 34a_100011217863_100011218427 [0,0,0,1,0,0|2,0,1]=4 6902 B13R1.337 CC(O)COCCC1CCCCC1 7a_100011217863_100011218427 [0,0,0,1,0,0|2,0,1]=4 6903 B13R1.337 CC(O)CSCCC1CCCCC1 62a_100011218427_100012355289 [0,0,0,1,0,0|2,0,1]=4 6904 B13R1.337 CC(O)CSCCC1CCCCC1 62a_100012355289_100011218427 [0,0,0,1,0,0|2,0,1]=4 6905 B13R1.337 CS(=O)CCCNC1CCCCC1 270004a_200000753449_100000210434 [0,0,0,1,0,0|3,0,0]=4 6906 B13R1.337 C[C@@H](O)CNCCC1CCCCC1 2230a_100000738074_100009817552 [0,0,0,1,0,0|2,0,1]=4 6907 B13R1.337 C[C@@H](O)CNCCC1CCCCC1 34a_100000738074_100009817552 [0,0,0,1,0,0|2,0,1]=4 6908 B13R1.337 C[C@@H](O)COCCC1CCCCC1 34a_100011217863_100009817552 [0,0,0,1,0,0|2,0,1]=4 6909 B13R1.337 C[C@@H](O)COCCC1CCCCC1 7a_100011217863_100009817552 [0,0,0,1,0,0|2,0,1]=4 6910 B13R1.337 C[C@@H](O)CSCCC1CCCCC1 62a_100009817552_100012355289 [0,0,0,1,0,0|2,0,1]=4 6911 B13R1.337 C[C@@H](O)CSCCC1CCCCC1 62a_100012355289_100009817552 [0,0,0,1,0,0|2,0,1]=4 6912 B13R1.337 NC(=O)CCCNC1CCCCC1 34a_100000182618_100102525003 [0,0,0,1,0,0|2,0,0]=3 6913 B13R1.337 NC(=O)CCCNC1CCCCC1 34a_100000739312_100000210327 [0,0,0,1,0,0|2,0,0]=3 6914 B13R1.337 NC(=O)CCCNC1CCCOC1 34a_100000719290_100102525003 [0,0,0,1,0,0|3,0,0]=4 6915 B13R1.337 NC(=O)CCCNC1CCCOC1 34a_100000739312_100000693364 [0,0,0,1,0,0|3,0,0]=4 6916 B13R1.337 NC(=O)CCCNC1CCOCC1 34a_100000741149_100102525003 [0,0,0,1,0,0|3,0,0]=4 6917 B13R1.337 NC(=O)CCCNC1CCSCC1 34a_100000739312_100000069128 [0,0,0,1,0,0|3,0,0]=4 6918 B13R1.337 NC(=O)CCCNC1CCSCC1 34a_100000748639_100102525003 [0,0,0,1,0,0|3,0,0]=4 6919 B13R1.337 NC(=O)CCCOC1CCCCC1 34a_100000210231_100102525003 [0,0,0,1,0,0|2,0,0]=3 6920 B13R1.337 NC(=O)CCCOC1CCCCC1 7a_100000210231_100102525003 [0,0,0,1,0,0|2,0,0]=3 6921 B13R1.337 NC(=O)CCCOC1CCCCO1 34a_100000033831_100102525003 [0,0,0,1,0,0|3,0,0]=4 6922 B13R1.337 NC(=O)CCCOC1CCCOC1 34a_100000754041_100102525003 [0,0,0,1,0,0|3,0,0]=4 6923 B13R1.337 NC(=O)CCCOC1CCCSC1 7a_100015962668_100102525003 [0,0,0,1,0,0|3,0,0]=4 6924 B13R1.337 NC(=O)CCCOC1CCOCC1 34a_100000744328_100102525003 [0,0,0,1,0,0|3,0,0]=4 6925 B13R1.337 NC(=O)CCCOC1CCSCC1 34a_100000731022_100102525003 [0,0,0,1,0,0|3,0,0]=4 6926 B13R1.337 NC(=O)CCCOC1CCSCC1 7a_100000731022_100102525003 [0,0,0,1,0,0|3,0,0]=4 6927 B13R1.337 NC(=O)CCCSC1CCCCC1 62a_100000210327_100102525003 [0,0,0,1,0,0|2,0,0]=3 6928 B13R1.337 NC(=O)CCCSC1CCCCC1 62a_100102525003_100000210327 [0,0,0,1,0,0|2,0,0]=3 6929 B13R1.337 NC(=O)CCCSC1CCCOC1 62a_100102525003_100000693364 [0,0,0,1,0,0|3,0,0]=4 6930 B13R1.337 NC(=O)CCCSC1CCOCC1 62a_100102525003_100011324220 [0,0,0,1,0,0|3,0,0]=4 6931 B13R1.337 NC(=O)CCCSC1CCSCC1 62a_100102525003_100000069128 [0,0,0,1,0,0|3,0,0]=4 6932 B13R1.337 NC(=O)CCNCC1CCCCC1 2230a_100000210473_100000744528 [0,0,0,1,0,0|2,0,0]=3 6933 B13R1.337 NC(=O)CCNCC1CCCCC1 269862a_100000740010_100000211278 [0,0,0,1,0,0|2,0,0]=3 6934 B13R1.337 NC(=O)CCNCC1CCCCC1 34a_100000210473_100000731001 [0,0,0,1,0,0|2,0,0]=3 6935 B13R1.337 NC(=O)CCNCC1CCCCO1 2230a_100000174945_100000744528 [0,0,0,1,0,0|3,0,0]=4 6936 B13R1.337 NC(=O)CCNCC1CCCCO1 34a_100000174945_100000731001 [0,0,0,1,0,0|3,0,0]=4 6937 B13R1.337 NC(=O)CCNCC1CCCOC1 2230a_100000720124_100000744528 [0,0,0,1,0,0|3,0,0]=4 6938 B13R1.337 NC(=O)CCNCC1CCCOC1 34a_100000720124_100000731001 [0,0,0,1,0,0|3,0,0]=4 6939 B13R1.337 NC(=O)CCNCC1CCOCC1 2230a_100000746373_100000744528 [0,0,0,1,0,0|3,0,0]=4 6940 B13R1.337 NC(=O)CCNCC1CCOCC1 269862a_100000740010_100000749017 [0,0,0,1,0,0|3,0,0]=4 6941 B13R1.337 NC(=O)CCNCC1CCOCC1 34a_100000746373_100000731001 [0,0,0,1,0,0|3,0,0]=4 6942 B13R1.337 NC(=O)CCNCC1CCSCC1 2230a_100015188806_100000744528 [0,0,0,1,0,0|3,0,0]=4 6943 B13R1.337 NC(=O)CCNCC1CCSCC1 269862a_100000740010_100000067145 [0,0,0,1,0,0|3,0,0]=4 6944 B13R1.337 NC(=O)CCNCC1CCSCC1 34a_100015188806_100000731001 [0,0,0,1,0,0|3,0,0]=4 6945 B13R1.337 NC(=O)CCOCC1CCCCC1 34a_100000212181_100000731001 [0,0,0,1,0,0|2,0,0]=3 6946 B13R1.337 NC(=O)CCOCC1CCCCC1 34a_100000757172_100000211423 [0,0,0,1,0,0|2,0,0]=3 6947 B13R1.337 NC(=O)CCOCC1CCCCC1 7a_100000212181_100000744528 [0,0,0,1,0,0|2,0,0]=3 6948 B13R1.337 NC(=O)CCOCC1CCCCC1 7a_100000757172_100000211423 [0,0,0,1,0,0|2,0,0]=3 6949 B13R1.337 NC(=O)CCOCC1CCCCN1 34a_100000210821_100000731001 [0,0,0,1,0,0|3,0,0]=4 6950 B13R1.337 NC(=O)CCOCC1CCCCO1 34a_100000211370_100000731001 [0,0,0,1,0,0|3,0,0]=4 6951 B13R1.337 NC(=O)CCOCC1CCCCO1 34a_100000757172_100000211543 [0,0,0,1,0,0|3,0,0]=4 6952 B13R1.337 NC(=O)CCOCC1CCCCO1 7a_100000211370_100000744528 [0,0,0,1,0,0|3,0,0]=4 6953 B13R1.337 NC(=O)CCOCC1CCCCO1 7a_100000757172_100000211543 [0,0,0,1,0,0|3,0,0]=4 6954 B13R1.337 NC(=O)CCOCC1CCCNC1 34a_100000211344_100000731001 [0,0,0,1,0,0|3,0,0]=4 6955 B13R1.337 NC(=O)CCOCC1CCCOC1 34a_100000741520_100000731001 [0,0,0,1,0,0|3,0,0]=4 6956 B13R1.337 NC(=O)CCOCC1CCCOC1 34a_100000757172_100000741521 [0,0,0,1,0,0|3,0,0]=4 6957 B13R1.337 NC(=O)CCOCC1CCCOC1 7a_100000757172_100000741521 [0,0,0,1,0,0|3,0,0]=4 6958 B13R1.337 NC(=O)CCOCC1CCNCC1 34a_100000738675_100000731001 [0,0,0,1,0,0|3,0,0]=4 6959 B13R1.337 NC(=O)CCOCC1CCOCC1 34a_100000749013_100000731001 [0,0,0,1,0,0|3,0,0]=4 6960 B13R1.337 NC(=O)CCOCC1CCOCC1 34a_100000757172_100000754603 [0,0,0,1,0,0|3,0,0]=4 6961 B13R1.337 NC(=O)CCOCC1CCOCC1 7a_100000757172_100000754603 [0,0,0,1,0,0|3,0,0]=4 6962 B13R1.337 NC(=O)CCOCC1CCSCC1 34a_100000070558_100000731001 [0,0,0,1,0,0|3,0,0]=4 6963 B13R1.337 NC(=O)CCOCC1CCSCC1 7a_100000070558_100000744528 [0,0,0,1,0,0|3,0,0]=4 6964 B13R1.337 NC(=O)CCSCC1CCCCC1 62a_100000211423_100000744528 [0,0,0,1,0,0|2,0,0]=3 6965 B13R1.337 NC(=O)CCSCC1CCCCC1 62a_100000744528_100000211423 [0,0,0,1,0,0|2,0,0]=3 6966 B13R1.337 NC(=O)CCSCC1CCCCO1 62a_100000211543_100000744528 [0,0,0,1,0,0|3,0,0]=4 6967 B13R1.337 NC(=O)CCSCC1CCCCO1 62a_100000744528_100000211543 [0,0,0,1,0,0|3,0,0]=4 6968 B13R1.337 NC(=O)CCSCC1CCCOC1 62a_100000741521_100000744528 [0,0,0,1,0,0|3,0,0]=4 6969 B13R1.337 NC(=O)CCSCC1CCCOC1 62a_100000744528_100000741521 [0,0,0,1,0,0|3,0,0]=4 6970 B13R1.337 NC(=O)CCSCC1CCOCC1 62a_100000744528_100000749018 [0,0,0,1,0,0|3,0,0]=4 6971 B13R1.337 NC(=O)CCSCC1CCOCC1 62a_100000754603_100000744528 [0,0,0,1,0,0|3,0,0]=4 6972 B13R1.337 NC(=O)CNCCC1CCCCC1 2230a_100000711301_100012355289 [0,0,0,1,0,0|2,0,0]=3 6973 B13R1.337 NC(=O)CNCCC1CCCCC1 2230a_100000738074_100000747473 [0,0,0,1,0,0|2,0,0]=3 6974 B13R1.337 NC(=O)CNCCC1CCCCC1 34a_100000738074_100000187820 [0,0,0,1,0,0|2,0,0]=3 6975 B13R1.337 NC(=O)CNCCC1CCCCO1 2230a_100015183643_100000747473 [0,0,0,1,0,0|3,0,0]=4 6976 B13R1.337 NC(=O)CNCCC1CCCCO1 34a_100015183643_100000187820 [0,0,0,1,0,0|3,0,0]=4 6977 B13R1.337 NC(=O)CNCCC1CCOCC1 2230a_100000711301_100011934994 [0,0,0,1,0,0|3,0,0]=4 6978 B13R1.337 NC(=O)CNCCC1CCOCC1 2230a_100000755988_100000747473 [0,0,0,1,0,0|3,0,0]=4 6979 B13R1.337 NC(=O)CNCCC1CCOCC1 34a_100000755988_100000187820 [0,0,0,1,0,0|3,0,0]=4 6980 B13R1.337 NC(=O)CNCCN1CCCCC1 2230a_100000711301_100000739454 [0,0,0,1,0,0|3,0,0]=4 6981 B13R1.337 NC(=O)CNCOC1CCCCC1 2230a_100000711301_100011935260 [0,0,0,1,0,0|3,0,0]=4 6982 B13R1.337 NC(=O)COCCC1CCCCC1 34a_100011217863_100000187820 [0,0,0,1,0,0|2,0,0]=3 6983 B13R1.337 NC(=O)COCCC1CCCCC1 7a_100011217863_100000187820 [0,0,0,1,0,0|2,0,0]=3 6984 B13R1.337 NC(=O)COCCC1CCCCN1 34a_100000211664_100000187820 [0,0,0,1,0,0|3,0,0]=4 6985 B13R1.337 NC(=O)COCCC1CCCNC1 34a_100000752241_100000187820 [0,0,0,1,0,0|3,0,0]=4 6986 B13R1.337 NC(=O)COCCC1CCNCC1 34a_100015190746_100000187820 [0,0,0,1,0,0|3,0,0]=4 6987 B13R1.337 NC(=O)COCCC1CCOCC1 34a_100011933979_100000187820 [0,0,0,1,0,0|3,0,0]=4 6988 B13R1.337 NC(=O)COCCC1CCOCC1 7a_100011933979_100000187820 [0,0,0,1,0,0|3,0,0]=4 6989 B13R1.337 NC(=O)CSCCC1CCCCC1 62a_100000747473_100012355289 [0,0,0,1,0,0|2,0,0]=3 6990 B13R1.337 NC(=O)CSCCC1CCCCC1 62a_100012355289_100000747473 [0,0,0,1,0,0|2,0,0]=3 6991 B13R1.337 NC(=O)CSCCC1CCOCC1 62a_100000747473_100011934994 [0,0,0,1,0,0|3,0,0]=4 6992 B13R1.337 NC(=O)CSCCC1CCOCC1 62a_100011934994_100000747473 [0,0,0,1,0,0|3,0,0]=4 6993 B13R1.337 NC(=O)CSCCN1CCCCC1 62a_100000739454_100000747473 [0,0,0,1,0,0|3,0,0]=4 6994 B13R1.337 NC(=O)CSCCN1CCCCC1 62a_100000747473_100000739454 [0,0,0,1,0,0|3,0,0]=4 6995 B13R1.337 NC(=O)CSCOC1CCCCC1 62a_100000747473_100011935260 [0,0,0,1,0,0|3,0,0]=4 6996 B13R1.337 NC(=O)CSCOC1CCCCC1 62a_100011935260_100000747473 [0,0,0,1,0,0|3,0,0]=4 6997 B13R1.337 NC(=O)NCCNC1CCCCC1 2230a_100000182618_200000034859 [0,0,0,1,0,0|3,0,0]=4 6998 B13R1.337 NC(=O)NCCNC1CCCCC1 34a_100020590234_100000210327 [0,0,0,1,0,0|3,0,0]=4 6999 B13R1.337 NC(=O)NCCOC1CCCCC1 34a_100000181757_100000210327 [0,0,0,1,0,0|3,0,0]=4 7000 B13R1.337 NC(=O)NCCOC1CCCCC1 7a_100000210231_200000034859 [0,0,0,1,0,0|3,0,0]=4 7001 B13R1.337 NC(=O)NCCSC1CCCCC1 62a_100000210327_200000034859 [0,0,0,1,0,0|3,0,0]=4 7002 B13R1.337 NC(=O)NCCSC1CCCCC1 62a_200000034859_100000210327 [0,0,0,1,0,0|3,0,0]=4 7003 B13R1.337 NC(=O)OCCNC1CCCCC1 34a_100000182618_200011214921 [0,0,0,1,0,0|3,0,0]=4 7004 B13R1.337 NC(=O)OCCOC1CCCCC1 34a_100000210231_200011214921 [0,0,0,1,0,0|3,0,0]=4 7005 B13R1.337 NC(=O)OCCOC1CCCCC1 7a_100000210231_200011214921 [0,0,0,1,0,0|3,0,0]=4 7006 B13R1.337 NC(=O)OCCOC1CCCCC1 7a_100000766696_100000210327 [0,0,0,1,0,0|3,0,0]=4 7007 B13R1.337 NC(=O)OCCSC1CCCCC1 62a_100000210327_200011214921 [0,0,0,1,0,0|3,0,0]=4 7008 B13R1.337 NC(=O)OCCSC1CCCCC1 62a_200011214921_100000210327 [0,0,0,1,0,0|3,0,0]=4 7009 B13R1.337 O=C(O)CNCCC1CCCCC1 269956a_100016091260_100011273959 [0,0,0,1,0,0|1,0,0]=2 7010 B13R1.337 O=C(O)CNCCC1CCOCC1 269956a_100016091260_100011934994 [0,0,0,1,0,0|2,0,0]=3 7011 B13R1.337 O=C(O)CNCCC1OCCCO1 269956a_100016091260_100000764188 [0,0,0,1,0,0|3,0,0]=4 7012 B13R1.337 O=C(O)CNCCN1CCCCC1 269956a_100016091260_100000739454 [0,0,0,1,0,0|2,0,0]=3 7013 B13R1.337 O=C(O)CNCCN1CCOCC1 269956a_100016091260_100000753993 [0,0,0,1,0,0|3,0,0]=4 7014 B13R1.337 O=C(O)CNCOC1CCCCC1 269956a_100016091260_100011935260 [0,0,0,1,0,0|2,0,0]=3 7015 B13R1.337 O=C(O)CONCC1CCCCC1 269956a_100000106656_100000211423 [0,0,0,1,0,0|2,0,0]=3 7016 B13R1.337 O=C(O)CONCC1CCCCO1 269956a_100000106656_100000211543 [0,0,0,1,0,0|3,0,0]=4 7017 B13R1.337 O=C(O)CONCC1CCCOC1 269956a_100000106656_100000741521 [0,0,0,1,0,0|3,0,0]=4 7018 B13R1.337 O=C(O)CONCC1CCOCC1 269956a_100000106656_100000754603 [0,0,0,1,0,0|3,0,0]=4 7019 B13R1.337 O=C([O-])CNCCC1CCCCC1 34a_100000738074_100020667443 [0,0,0,1,0,0|1,0,1]=3 7020 B13R1.337 O=C([O-])CNCCC1CCCCO1 34a_100015183643_100020667443 [0,0,0,1,0,0|2,0,1]=4 7021 B13R1.337 O=C([O-])CNCCC1CCOCC1 34a_100000755988_100020667443 [0,0,0,1,0,0|2,0,1]=4 7022 B13R1.337 O=C([O-])COCCC1CCCCC1 34a_100011217863_100020667443 [0,0,0,1,0,0|1,0,1]=3 7023 B13R1.337 O=C([O-])COCCC1CCCCN1 34a_100000211664_100020667443 [0,0,0,1,0,0|2,0,1]=4 7024 B13R1.337 O=C([O-])COCCC1CCCNC1 34a_100000752241_100020667443 [0,0,0,1,0,0|2,0,1]=4 7025 B13R1.337 O=C([O-])COCCC1CCNCC1 34a_100015190746_100020667443 [0,0,0,1,0,0|2,0,1]=4 7026 B13R1.337 O=C([O-])COCCC1CCOCC1 34a_100011933979_100020667443 [0,0,0,1,0,0|2,0,1]=4 7027 B13R1.337 O=C([O-])CSCCC1CCCCC1 62a_100012355289_100020667443 [0,0,0,1,0,0|1,0,1]=3 7028 B13R1.337 O=C([O-])CSCCC1CCCCC1 62a_100020667443_100012355289 [0,0,0,1,0,0|1,0,1]=3 7029 B13R1.337 O=C([O-])CSCCC1CCOCC1 62a_100011934994_100020667443 [0,0,0,1,0,0|2,0,1]=4 7030 B13R1.337 O=C([O-])CSCCC1CCOCC1 62a_100020667443_100011934994 [0,0,0,1,0,0|2,0,1]=4 7031 B13R1.337 O=C([O-])CSCCN1CCCCC1 62a_100000739454_100020667443 [0,0,0,1,0,0|2,0,1]=4 7032 B13R1.337 O=C([O-])CSCCN1CCCCC1 62a_100020667443_100000739454 [0,0,0,1,0,0|2,0,1]=4 7033 B13R1.337 O=C([O-])CSCOC1CCCCC1 62a_100011935260_100020667443 [0,0,0,1,0,0|2,0,1]=4 7034 B13R1.337 O=C([O-])CSCOC1CCCCC1 62a_100020667443_100011935260 [0,0,0,1,0,0|2,0,1]=4 7035 B13R1.337 O=[N+]([O-])CCCOC1CCCCC1 34a_200000037920_100000210327 [0,0,0,1,0,0|2,0,1]=4 7036 B13R1.337 O=[N+]([O-])CNCCC1CCCCC1 34a_100000738074_100000761209 [0,0,0,1,0,0|2,0,1]=4 7037 B13R1.337 O=[N+]([O-])COCCC1CCCCC1 34a_100011217863_100000761209 [0,0,0,1,0,0|2,0,1]=4 7038 B13R1.337 O=[N+]([O-])CSCCC1CCCCC1 62a_100012355289_100000761209 [0,0,0,1,0,0|2,0,1]=4 7039 B13R1.337 [13CH3]C(=O)CCCCC1CCCCC1 1458a_200011215547_200025704644 [0,0,0,1,0,0|1,0,0]=2 7040 B13R1.337 [13CH3]C(=O)CCCCN1CCCCC1 1458a_100000754417_200025704644 [0,0,0,1,0,0|2,0,0]=3 7041 B13R1.343 C=C(Br)CCOCCC1CCCC1 34a_100009813270_100000760354 [0,0,0,1,0,0|3,0,0]=4 7042 B13R1.343 C=C(C)CCNCCC1CCCC1 2230a_100000739158_100000730704 [0,0,0,1,0,0|3,0,0]=4 7043 B13R1.343 C=C(C)CCNCCC1CCCC1 34a_100000739158_100000730704 [0,0,0,1,0,0|3,0,0]=4 7044 B13R1.343 C=C(C)CCOCCC1CCCC1 34a_100000749090_100000730704 [0,0,0,1,0,0|3,0,0]=4 7045 B13R1.343 C=C(C)CCOCCC1CCCC1 34a_100000764851_100000760354 [0,0,0,1,0,0|3,0,0]=4 7046 B13R1.343 C=C(C)CCOCCC1CCCC1 7a_100000749090_100000730704 [0,0,0,1,0,0|3,0,0]=4 7047 B13R1.343 C=C(C)CCSCCC1CCCC1 62a_100000730704_100000760354 [0,0,0,1,0,0|3,0,0]=4 7048 B13R1.343 C=C(C)CCSCCC1CCCC1 62a_100000760354_100000730704 [0,0,0,1,0,0|3,0,0]=4 7049 B13R1.343 C=C(C)CNCCCC1CCCC1 2230a_100000736752_100000748629 [0,0,0,1,0,0|3,0,0]=4 7050 B13R1.343 C=C(C)CNCCCC1CCCC1 34a_100000736752_100000748629 [0,0,0,1,0,0|3,0,0]=4 7051 B13R1.343 C=C(C)COCCCC1CCCC1 34a_100000210245_100011713738 [0,0,0,1,0,0|3,0,0]=4 7052 B13R1.343 C=C(C)COCCCC1CCCC1 34a_100011215328_100000748629 [0,0,0,1,0,0|3,0,0]=4 7053 B13R1.343 C=C(C)COCCCC1CCCC1 7a_100011215328_100000748629 [0,0,0,1,0,0|3,0,0]=4 7054 B13R1.343 C=C(C)CSCCCC1CCCC1 62a_100000748629_100011713738 [0,0,0,1,0,0|3,0,0]=4 7055 B13R1.343 C=C(C)CSCCCC1CCCC1 62a_100011713738_100000211660 [0,0,0,1,0,0|3,0,0]=4 7056 B13R1.343 C=C(F)CNCCCC1CCCC1 2230a_100000736752_100009893438 [0,0,0,1,0,0|3,0,0]=4 7057 B13R1.343 C=C(F)CNCCCC1CCCC1 34a_100000736752_100009893438 [0,0,0,1,0,0|3,0,0]=4 7058 B13R1.343 C=C(F)COCCCC1CCCC1 34a_100011215328_100009893438 [0,0,0,1,0,0|3,0,0]=4 7059 B13R1.343 C=C(F)COCCCC1CCCC1 34a_200010262243_100011713738 [0,0,0,1,0,0|3,0,0]=4 7060 B13R1.343 C=C(F)COCCCC1CCCC1 7a_100011215328_100000042424 [0,0,0,1,0,0|3,0,0]=4 7061 B13R1.343 C=C(F)CSCCCC1CCCC1 62a_100000042424_100011713738 [0,0,0,1,0,0|3,0,0]=4 7062 B13R1.343 C=C(F)CSCCCC1CCCC1 62a_100011713738_100000042424 [0,0,0,1,0,0|3,0,0]=4 7063 B13R1.343 CC(=O)CCCCNC1CCCC1 34a_100000211070_100009817362 [0,0,0,1,0,0|2,0,0]=3 7064 B13R1.343 CC(=O)CCCCN[C@H]1CCOC1 34a_100015188467_100009817362 [0,0,0,1,0,0|3,0,0]=4 7065 B13R1.343 CC(=O)CCCCOC1CCCC1 34a_100000210269_100009817362 [0,0,0,1,0,0|2,0,0]=3 7066 B13R1.343 CC(=O)CCCCOC1CCCC1 7a_100000210269_100000735457 [0,0,0,1,0,0|2,0,0]=3 7067 B13R1.343 CC(=O)CCCCOC1CCCO1 34a_100000085407_100009817362 [0,0,0,1,0,0|3,0,0]=4 7068 B13R1.343 CC(=O)CCCCOC1CCSC1 7a_100011232664_100000735457 [0,0,0,1,0,0|3,0,0]=4 7069 B13R1.343 CC(=O)CCCCO[C@H]1CCOC1 34a_100000717292_100009817362 [0,0,0,1,0,0|3,0,0]=4 7070 B13R1.343 CC(=O)CCCCSC1CCCC1 62a_100000735457_100000179811 [0,0,0,1,0,0|2,0,0]=3 7071 B13R1.343 CC(=O)CCCCSC1CCCC1 62a_100011217020_100000735457 [0,0,0,1,0,0|2,0,0]=3 7072 B13R1.343 CC(=O)CCCCSC1CCOC1 62a_100000735457_100000690089 [0,0,0,1,0,0|3,0,0]=4 7073 B13R1.343 CC(=O)CCCNCC1CCCC1 34a_100000737975_100000685027 [0,0,0,1,0,0|2,0,0]=3 7074 B13R1.343 CC(=O)CCCNCC1CCOC1 34a_100000737293_100000685027 [0,0,0,1,0,0|3,0,0]=4 7075 B13R1.343 CC(=O)CCCNC[C@@H]1CCCO1 34a_100020590478_100000685027 [0,0,0,1,0,0|3,0,0]=4 7076 B13R1.343 CC(=O)CCCOCC1CCCC1 34a_100000742336_100000685027 [0,0,0,1,0,0|2,0,0]=3 7077 B13R1.343 CC(=O)CCCOCC1CCCC1 34a_100000759063_100000740388 [0,0,0,1,0,0|2,0,0]=3 7078 B13R1.343 CC(=O)CCCOCC1CCCC1 7a_100000742336_100011215641 [0,0,0,1,0,0|2,0,0]=3 7079 B13R1.343 CC(=O)CCCOCC1CCCC1 7a_100000759063_100000740388 [0,0,0,1,0,0|2,0,0]=3 7080 B13R1.343 CC(=O)CCCOCC1CCCO1 34a_100000210270_100000685027 [0,0,0,1,0,0|3,0,0]=4 7081 B13R1.343 CC(=O)CCCOCC1CCCO1 7a_100000210270_100011215641 [0,0,0,1,0,0|3,0,0]=4 7082 B13R1.343 CC(=O)CCCOCC1CCCO1 7a_100000759063_100000203698 [0,0,0,1,0,0|3,0,0]=4 7083 B13R1.343 CC(=O)CCCOCC1CCNC1 34a_100000748654_100000685027 [0,0,0,1,0,0|3,0,0]=4 7084 B13R1.343 CC(=O)CCCOCC1CCOC1 34a_100000740260_100000685027 [0,0,0,1,0,0|3,0,0]=4 7085 B13R1.343 CC(=O)CCCOCC1CCOC1 34a_100000759063_100011261433 [0,0,0,1,0,0|3,0,0]=4 7086 B13R1.343 CC(=O)CCCOCC1CCOC1 7a_100000759063_100000702531 [0,0,0,1,0,0|3,0,0]=4 7087 B13R1.343 CC(=O)CCCOC[C@H]1CCCN1 34a_100000745186_100000685027 [0,0,0,1,0,0|3,0,0]=4 7088 B13R1.343 CC(=O)CCCSCC1CCCC1 62a_100000740388_100011215641 [0,0,0,1,0,0|2,0,0]=3 7089 B13R1.343 CC(=O)CCCSCC1CCCC1 62a_100011215641_100000740388 [0,0,0,1,0,0|2,0,0]=3 7090 B13R1.343 CC(=O)CCCSCC1CCCO1 62a_100000203698_100011215641 [0,0,0,1,0,0|3,0,0]=4 7091 B13R1.343 CC(=O)CCCSCC1CCCO1 62a_100011215641_100000203698 [0,0,0,1,0,0|3,0,0]=4 7092 B13R1.343 CC(=O)CCCSCC1CCOC1 62a_100000702531_100011215641 [0,0,0,1,0,0|3,0,0]=4 7093 B13R1.343 CC(=O)CCCSCC1CCOC1 62a_100011215641_100000702531 [0,0,0,1,0,0|3,0,0]=4 7094 B13R1.343 CC(=O)CCOCCC1CCCC1 34a_100000759926_100000760354 [0,0,0,1,0,0|2,0,0]=3 7095 B13R1.343 CC(=O)CCOCCC1CCCC1 7a_100000749090_100000053229 [0,0,0,1,0,0|2,0,0]=3 7096 B13R1.343 CC(=O)CCOCCC1CCCC1 7a_100000759926_100000760354 [0,0,0,1,0,0|2,0,0]=3 7097 B13R1.343 CC(=O)CCOCCN1CCCC1 7a_100000759926_100000004467 [0,0,0,1,0,0|3,0,0]=4 7098 B13R1.343 CC(=O)CCSCCC1CCCC1 62a_100000053229_100000760354 [0,0,0,1,0,0|2,0,0]=3 7099 B13R1.343 CC(=O)CCSCCC1CCCC1 62a_100000760354_100000053229 [0,0,0,1,0,0|2,0,0]=3 7100 B13R1.343 CC(=O)CCSCCN1CCCC1 62a_100000053229_100000004467 [0,0,0,1,0,0|3,0,0]=4 7101 B13R1.343 CC(=O)CCSCCN1CCCC1 62a_100000700749_100000053229 [0,0,0,1,0,0|3,0,0]=4 7102 B13R1.343 CC(=O)COCCCC1CCCC1 34a_100000211253_100011713738 [0,0,0,1,0,0|2,0,0]=3 7103 B13R1.343 CC(=O)COCCCN1CCCC1 34a_100000211253_100016991639 [0,0,0,1,0,0|3,0,0]=4 7104 B13R1.343 CC(=O)NCCCCN1CCCC1 1626a_100000740493_100015343762 [0,0,0,1,0,0|3,0,0]=4 7105 B13R1.343 CC(=O)NCCCCN1CCCC1 240690a_100000740493_100015343762 [0,0,0,1,0,0|3,0,0]=4 7106 B13R1.343 CC(=O)NCCCNC1CCCC1 270004a_100000736810_100000210133 [0,0,0,1,0,0|3,0,0]=4 7107 B13R1.343 CC(=O)NCCCNC1CCCC1 34a_100000736810_100000179811 [0,0,0,1,0,0|3,0,0]=4 7108 B13R1.343 CC(=O)NCCCOC1CCCC1 11a_100000747560_100015343762 [0,0,0,1,0,0|3,0,0]=4 7109 B13R1.343 CC(=O)NCCCOC1CCCC1 1626a_100000747560_100015343762 [0,0,0,1,0,0|3,0,0]=4 7110 B13R1.343 CC(=O)NCCCOC1CCCC1 240690a_100000747560_100015343762 [0,0,0,1,0,0|3,0,0]=4 7111 B13R1.343 CC(=O)NCCCOC1CCCC1 34a_100000752032_100000179811 [0,0,0,1,0,0|3,0,0]=4 7112 B13R1.343 CC(=O)NCCCOC1CCCC1 527a_100000747560_100103153847 [0,0,0,1,0,0|3,0,0]=4 7113 B13R1.343 CC(=O)NCCNCC1CCCC1 2230a_100000209853_100000740388 [0,0,0,1,0,0|3,0,0]=4 7114 B13R1.343 CC(=O)NCCNCC1CCCC1 2230a_100000737975_100000189650 [0,0,0,1,0,0|3,0,0]=4 7115 B13R1.343 CC(=O)NCCNCC1CCCC1 269862a_100000209853_100000746403 [0,0,0,1,0,0|3,0,0]=4 7116 B13R1.343 CC(=O)NCCOCC1CCCC1 34a_100000158858_100000740388 [0,0,0,1,0,0|3,0,0]=4 7117 B13R1.343 CC(=O)NCCOCC1CCCC1 7a_100000742336_100000189650 [0,0,0,1,0,0|3,0,0]=4 7118 B13R1.343 CC(=O)NCCSCC1CCCC1 62a_100000189650_100000740388 [0,0,0,1,0,0|3,0,0]=4 7119 B13R1.343 CC(=O)NCCSCC1CCCC1 62a_100000740388_100000189650 [0,0,0,1,0,0|3,0,0]=4 7120 B13R1.343 CC(=O)OCCCCN1CCCC1 269982a_100000188435_100000033659 [0,0,0,1,0,0|3,0,0]=4 7121 B13R1.343 CC(=O)OCCCNC1CCCC1 34a_100000211070_100000042594 [0,0,0,1,0,0|3,0,0]=4 7122 B13R1.343 CC(=O)OCCCOC1CCCC1 34a_100000210269_100000042594 [0,0,0,1,0,0|3,0,0]=4 7123 B13R1.343 CC(=O)OCCCOC1CCCC1 7a_100000210269_100000042594 [0,0,0,1,0,0|3,0,0]=4 7124 B13R1.343 CC(=O)OCCCSC1CCCC1 62a_100000042594_100000179811 [0,0,0,1,0,0|3,0,0]=4 7125 B13R1.343 CC(=O)OCCCSC1CCCC1 62a_100011217020_100000042594 [0,0,0,1,0,0|3,0,0]=4 7126 B13R1.343 CC(=O)OCCNCC1CCCC1 34a_100000737975_100009814007 [0,0,0,1,0,0|3,0,0]=4 7127 B13R1.343 CC(=O)OCCOCC1CCCC1 34a_100000742336_100009814007 [0,0,0,1,0,0|3,0,0]=4 7128 B13R1.343 CC(=O)OCCOCC1CCCC1 7a_100000742336_100009814007 [0,0,0,1,0,0|3,0,0]=4 7129 B13R1.343 CC(=O)OCCSCC1CCCC1 62a_100000740388_100009814007 [0,0,0,1,0,0|3,0,0]=4 7130 B13R1.343 CC(=O)OCCSCC1CCCC1 62a_100009814007_100000740388 [0,0,0,1,0,0|3,0,0]=4 7131 B13R1.343 CC(=O)OCNCCC1CCCC1 34a_100000739158_100009813279 [0,0,0,1,0,0|3,0,0]=4 7132 B13R1.343 CC(=O)OCOCCC1CCCC1 34a_100000749090_100009813279 [0,0,0,1,0,0|3,0,0]=4 7133 B13R1.343 CC(=O)OCSCCC1CCCC1 62a_100000076356_100000760354 [0,0,0,1,0,0|3,0,0]=4 7134 B13R1.343 CC(=O)OCSCCC1CCCC1 62a_100000760354_100000076356 [0,0,0,1,0,0|3,0,0]=4 7135 B13R1.343 CC(=O)SCCCCN1CCCC1 2230a_100000188435_200010402107 [0,0,0,1,0,0|3,0,0]=4 7136 B13R1.343 CC(=O)SCCCCN1CCCC1 269982a_100000188435_200010402107 [0,0,0,1,0,0|3,0,0]=4 7137 B13R1.343 CC(=O)SCCCNC1CCCC1 2230a_100000211070_100000038929 [0,0,0,1,0,0|3,0,0]=4 7138 B13R1.343 CC(=O)SCCCNC1CCCC1 34a_100000211070_100000038929 [0,0,0,1,0,0|3,0,0]=4 7139 B13R1.343 CC(=O)SCCCOC1CCCC1 34a_100000210269_100000038929 [0,0,0,1,0,0|3,0,0]=4 7140 B13R1.343 CC(=O)SCCCOC1CCCC1 7a_100000210269_100000038929 [0,0,0,1,0,0|3,0,0]=4 7141 B13R1.343 CC(=O)SCCCSC1CCCC1 62a_100000038929_100000179811 [0,0,0,1,0,0|3,0,0]=4 7142 B13R1.343 CC(=O)SCCCSC1CCCC1 62a_100011217020_100000038929 [0,0,0,1,0,0|3,0,0]=4 7143 B13R1.343 CC(=O)SCCNCC1CCCC1 269862a_100020647217_100000746403 [0,0,0,1,0,0|3,0,0]=4 7144 B13R1.343 CC(O)CCCNCC1CCCC1 2230a_100000737975_200000718107 [0,0,0,1,0,0|2,0,1]=4 7145 B13R1.343 CC(O)CCCNCC1CCCC1 34a_100000737975_200000718107 [0,0,0,1,0,0|2,0,1]=4 7146 B13R1.343 CC(O)CCCOCC1CCCC1 34a_100000742336_200000718107 [0,0,0,1,0,0|2,0,1]=4 7147 B13R1.343 CC(O)CCCOCC1CCCC1 7a_100000742336_200000718107 [0,0,0,1,0,0|2,0,1]=4 7148 B13R1.343 CC(O)CCCSCC1CCCC1 62a_100000740388_200000718107 [0,0,0,1,0,0|2,0,1]=4 7149 B13R1.343 CC(O)CCCSCC1CCCC1 62a_200000718107_100000740388 [0,0,0,1,0,0|2,0,1]=4 7150 B13R1.343 CC(O)CCNCCC1CCCC1 2230a_100000739158_100012276601 [0,0,0,1,0,0|2,0,1]=4 7151 B13R1.343 CC(O)CCNCCC1CCCC1 2230a_200000755665_100000760354 [0,0,0,1,0,0|2,0,1]=4 7152 B13R1.343 CC(O)CCNCCC1CCCC1 34a_100000739158_100012276601 [0,0,0,1,0,0|2,0,1]=4 7153 B13R1.343 CC(O)CCOCCC1CCCC1 34a_100000749090_100012276601 [0,0,0,1,0,0|2,0,1]=4 7154 B13R1.343 CC(O)CCOCCC1CCCC1 7a_100000749090_100012276601 [0,0,0,1,0,0|2,0,1]=4 7155 B13R1.343 CC(O)CCSCCC1CCCC1 62a_100000760354_100012276601 [0,0,0,1,0,0|2,0,1]=4 7156 B13R1.343 CC(O)CCSCCC1CCCC1 62a_100012276601_100000760354 [0,0,0,1,0,0|2,0,1]=4 7157 B13R1.343 CC(O)CNCCCC1CCCC1 2230a_100000210904_100011713738 [0,0,0,1,0,0|2,0,1]=4 7158 B13R1.343 CC(O)CNCCCC1CCCC1 2230a_100000736752_100011218427 [0,0,0,1,0,0|2,0,1]=4 7159 B13R1.343 CC(O)CNCCCC1CCCC1 34a_100000210904_100011713738 [0,0,0,1,0,0|2,0,1]=4 7160 B13R1.343 CC(O)CNCCCC1CCCC1 34a_100000736752_100011218427 [0,0,0,1,0,0|2,0,1]=4 7161 B13R1.343 CC(O)COCCCC1CCCC1 34a_100011215328_100011218427 [0,0,0,1,0,0|2,0,1]=4 7162 B13R1.343 CC(O)COCCCC1CCCC1 7a_100011215328_100011218427 [0,0,0,1,0,0|2,0,1]=4 7163 B13R1.343 CC(O)CSCCCC1CCCC1 62a_100011218427_100011713738 [0,0,0,1,0,0|2,0,1]=4 7164 B13R1.343 CC(O)CSCCCC1CCCC1 62a_100011713738_100011218427 [0,0,0,1,0,0|2,0,1]=4 7165 B13R1.343 CS(=O)CCCNCC1CCCC1 2230a_200000753449_100000740388 [0,0,0,1,0,0|3,0,0]=4 7166 B13R1.343 C[C@@H](O)CNCCCC1CCCC1 2230a_100000736752_100009817552 [0,0,0,1,0,0|2,0,1]=4 7167 B13R1.343 C[C@@H](O)CNCCCC1CCCC1 34a_100000736752_100009817552 [0,0,0,1,0,0|2,0,1]=4 7168 B13R1.343 C[C@@H](O)COCCCC1CCCC1 34a_100011215328_100009817552 [0,0,0,1,0,0|2,0,1]=4 7169 B13R1.343 C[C@@H](O)COCCCC1CCCC1 7a_100011215328_100009817552 [0,0,0,1,0,0|2,0,1]=4 7170 B13R1.343 C[C@@H](O)CSCCCC1CCCC1 62a_100009817552_100011713738 [0,0,0,1,0,0|2,0,1]=4 7171 B13R1.343 C[C@@H](O)CSCCCC1CCCC1 62a_100011713738_100009817552 [0,0,0,1,0,0|2,0,1]=4 7172 B13R1.343 NC(=O)CCCCCN1CCCC1 2230a_100000188435_100009817443 [0,0,0,1,0,0|2,0,0]=3 7173 B13R1.343 NC(=O)CCCCCN1CCCC1 269982a_100000188435_100009817443 [0,0,0,1,0,0|2,0,0]=3 7174 B13R1.343 NC(=O)CCCCCN1CCSC1 2230a_100011215254_100009817443 [0,0,0,1,0,0|3,0,0]=4 7175 B13R1.343 NC(=O)CCCCCN1CCSC1 269982a_100011215254_100009817443 [0,0,0,1,0,0|3,0,0]=4 7176 B13R1.343 NC(=O)CCCCNC1CCCC1 270004a_100000696515_100000210133 [0,0,0,1,0,0|2,0,0]=3 7177 B13R1.343 NC(=O)CCCCNC1CCCC1 34a_100000696515_100000179811 [0,0,0,1,0,0|2,0,0]=3 7178 B13R1.343 NC(=O)CCCCNC1CCOC1 270004a_100000696515_100000752484 [0,0,0,1,0,0|3,0,0]=4 7179 B13R1.343 NC(=O)CCCCNC1CCOC1 34a_100000696515_100000690089 [0,0,0,1,0,0|3,0,0]=4 7180 B13R1.343 NC(=O)CCCCNC1CCSC1 270004a_100000696515_100000212027 [0,0,0,1,0,0|3,0,0]=4 7181 B13R1.343 NC(=O)CCCCOC1CCCC1 34a_100012022536_100000179811 [0,0,0,1,0,0|2,0,0]=3 7182 B13R1.343 NC(=O)CCCCOC1CCCC1 7a_100012022536_100000179811 [0,0,0,1,0,0|2,0,0]=3 7183 B13R1.343 NC(=O)CCCCOC1CCOC1 34a_100012022536_100000690089 [0,0,0,1,0,0|3,0,0]=4 7184 B13R1.343 NC(=O)CCCCOC1CCOC1 7a_100012022536_100000731011 [0,0,0,1,0,0|3,0,0]=4 7185 B13R1.343 NC(=O)CCCNCC1CCCC1 269862a_100000739312_100000746403 [0,0,0,1,0,0|2,0,0]=3 7186 B13R1.343 NC(=O)CCCNCC1CCCC1 34a_100000737975_100102525003 [0,0,0,1,0,0|2,0,0]=3 7187 B13R1.343 NC(=O)CCCNCC1CCCC1 34a_100000739312_100000740388 [0,0,0,1,0,0|2,0,0]=3 7188 B13R1.343 NC(=O)CCCNCC1CCOC1 34a_100000737293_100102525003 [0,0,0,1,0,0|3,0,0]=4 7189 B13R1.343 NC(=O)CCCNCC1CCOC1 34a_100000739312_100011261433 [0,0,0,1,0,0|3,0,0]=4 7190 B13R1.343 NC(=O)CCCNC[C@@H]1CCCO1 34a_100020590478_100102525003 [0,0,0,1,0,0|3,0,0]=4 7191 B13R1.343 NC(=O)CCCOCC1CCCC1 34a_100000742336_100102525003 [0,0,0,1,0,0|2,0,0]=3 7192 B13R1.343 NC(=O)CCCOCC1CCCC1 7a_100000742336_100102525003 [0,0,0,1,0,0|2,0,0]=3 7193 B13R1.343 NC(=O)CCCOCC1CCCO1 34a_100000210270_100102525003 [0,0,0,1,0,0|3,0,0]=4 7194 B13R1.343 NC(=O)CCCOCC1CCCO1 7a_100000210270_100102525003 [0,0,0,1,0,0|3,0,0]=4 7195 B13R1.343 NC(=O)CCCOCC1CCNC1 34a_100000748654_100102525003 [0,0,0,1,0,0|3,0,0]=4 7196 B13R1.343 NC(=O)CCCOCC1CCOC1 34a_100000740260_100102525003 [0,0,0,1,0,0|3,0,0]=4 7197 B13R1.343 NC(=O)CCCOC[C@H]1CCCN1 34a_100000745186_100102525003 [0,0,0,1,0,0|3,0,0]=4 7198 B13R1.343 NC(=O)CCCSCC1CCCC1 62a_100000740388_100102525003 [0,0,0,1,0,0|2,0,0]=3 7199 B13R1.343 NC(=O)CCCSCC1CCCC1 62a_100102525003_100000740388 [0,0,0,1,0,0|2,0,0]=3 7200 B13R1.343 NC(=O)CCCSCC1CCCO1 62a_100000203698_100102525003 [0,0,0,1,0,0|3,0,0]=4 7201 B13R1.343 NC(=O)CCCSCC1CCCO1 62a_100102525003_100000203698 [0,0,0,1,0,0|3,0,0]=4 7202 B13R1.343 NC(=O)CCCSCC1CCOC1 62a_100000702531_100102525003 [0,0,0,1,0,0|3,0,0]=4 7203 B13R1.343 NC(=O)CCCSCC1CCOC1 62a_100102525003_100000702531 [0,0,0,1,0,0|3,0,0]=4 7204 B13R1.343 NC(=O)CCNCCC1CCCC1 2230a_100000739158_100000744528 [0,0,0,1,0,0|2,0,0]=3 7205 B13R1.343 NC(=O)CCNCCC1CCCC1 34a_100000739158_100000731001 [0,0,0,1,0,0|2,0,0]=3 7206 B13R1.343 NC(=O)CCOCCC1CCCC1 34a_100000749090_100000731001 [0,0,0,1,0,0|2,0,0]=3 7207 B13R1.343 NC(=O)CCOCCC1CCCC1 34a_100000757172_100000760354 [0,0,0,1,0,0|2,0,0]=3 7208 B13R1.343 NC(=O)CCOCCC1CCCC1 7a_100000749090_100000744528 [0,0,0,1,0,0|2,0,0]=3 7209 B13R1.343 NC(=O)CCOCCC1CCCC1 7a_100000757172_100000760354 [0,0,0,1,0,0|2,0,0]=3 7210 B13R1.343 NC(=O)CCOCCC1CCNC1 34a_100016987287_100000731001 [0,0,0,1,0,0|3,0,0]=4 7211 B13R1.343 NC(=O)CCOCCC1CCOC1 34a_100011879284_100000731001 [0,0,0,1,0,0|3,0,0]=4 7212 B13R1.343 NC(=O)CCOCCN1CCCC1 7a_100000757172_100000004467 [0,0,0,1,0,0|3,0,0]=4 7213 B13R1.343 NC(=O)CCSCCC1CCCC1 62a_100000744528_100000760354 [0,0,0,1,0,0|2,0,0]=3 7214 B13R1.343 NC(=O)CCSCCC1CCCC1 62a_100000760354_100000744528 [0,0,0,1,0,0|2,0,0]=3 7215 B13R1.343 NC(=O)CCSCCN1CCCC1 62a_100000700749_100000744528 [0,0,0,1,0,0|3,0,0]=4 7216 B13R1.343 NC(=O)CCSCCN1CCCC1 62a_100000744528_100000004467 [0,0,0,1,0,0|3,0,0]=4 7217 B13R1.343 NC(=O)CNCCCC1CCCC1 2230a_100000711301_100011713738 [0,0,0,1,0,0|2,0,0]=3 7218 B13R1.343 NC(=O)CNCCCC1CCCC1 2230a_100000736752_100000747473 [0,0,0,1,0,0|2,0,0]=3 7219 B13R1.343 NC(=O)CNCCCC1CCCC1 34a_100000736752_100000187820 [0,0,0,1,0,0|2,0,0]=3 7220 B13R1.343 NC(=O)CNCCCN1CCCC1 2230a_100000711301_100011445909 [0,0,0,1,0,0|3,0,0]=4 7221 B13R1.343 NC(=O)CNCCOC1CCCC1 34a_100000741755_100000187820 [0,0,0,1,0,0|3,0,0]=4 7222 B13R1.343 NC(=O)COCCCC1CCCC1 34a_100011215328_100000187820 [0,0,0,1,0,0|2,0,0]=3 7223 B13R1.343 NC(=O)COCCCC1CCCC1 7a_100011215328_100000187820 [0,0,0,1,0,0|2,0,0]=3 7224 B13R1.343 NC(=O)COCCNC1CCCC1 2230a_100000211070_100000076697 [0,0,0,1,0,0|3,0,0]=4 7225 B13R1.343 NC(=O)COCCNC1CCCC1 34a_100000211070_100000076697 [0,0,0,1,0,0|3,0,0]=4 7226 B13R1.343 NC(=O)COCCNC1CCCC1 34a_200000200444_100000187820 [0,0,0,1,0,0|3,0,0]=4 7227 B13R1.343 NC(=O)COCCOC1CCCC1 34a_100000210269_100000076697 [0,0,0,1,0,0|3,0,0]=4 7228 B13R1.343 NC(=O)COCCOC1CCCC1 34a_100000738311_100000187820 [0,0,0,1,0,0|3,0,0]=4 7229 B13R1.343 NC(=O)COCCOC1CCCC1 7a_100000210269_100000076697 [0,0,0,1,0,0|3,0,0]=4 7230 B13R1.343 NC(=O)COCCOC1CCCC1 7a_100000738311_100000187820 [0,0,0,1,0,0|3,0,0]=4 7231 B13R1.343 NC(=O)COCCSC1CCCC1 62a_100000076697_100000179811 [0,0,0,1,0,0|3,0,0]=4 7232 B13R1.343 NC(=O)COCCSC1CCCC1 62a_100011217020_100000076697 [0,0,0,1,0,0|3,0,0]=4 7233 B13R1.343 NC(=O)CSCCCC1CCCC1 62a_100000747473_100011713738 [0,0,0,1,0,0|2,0,0]=3 7234 B13R1.343 NC(=O)CSCCCC1CCCC1 62a_100011713738_100000747473 [0,0,0,1,0,0|2,0,0]=3 7235 B13R1.343 NC(=O)CSCCCN1CCCC1 62a_100000747473_100011445909 [0,0,0,1,0,0|3,0,0]=4 7236 B13R1.343 NC(=O)CSCCCN1CCCC1 62a_100016991639_100000747473 [0,0,0,1,0,0|3,0,0]=4 7237 B13R1.343 NC(=O)NCCNCC1CCCC1 2230a_100000737975_200000034859 [0,0,0,1,0,0|3,0,0]=4 7238 B13R1.343 NC(=O)NCCNCC1CCCC1 269862a_100020590234_100000746403 [0,0,0,1,0,0|3,0,0]=4 7239 B13R1.343 NC(=O)NCCNCC1CCCC1 34a_100020590234_100000740388 [0,0,0,1,0,0|3,0,0]=4 7240 B13R1.343 NC(=O)NCCOCC1CCCC1 34a_100000181757_100000740388 [0,0,0,1,0,0|3,0,0]=4 7241 B13R1.343 NC(=O)NCCOCC1CCCC1 7a_100000742336_200000034859 [0,0,0,1,0,0|3,0,0]=4 7242 B13R1.343 NC(=O)NCCSCC1CCCC1 62a_100000740388_200000034859 [0,0,0,1,0,0|3,0,0]=4 7243 B13R1.343 NC(=O)NCCSCC1CCCC1 62a_200000034859_100000740388 [0,0,0,1,0,0|3,0,0]=4 7244 B13R1.343 NC(=O)OCCNCC1CCCC1 34a_100000737975_200011214921 [0,0,0,1,0,0|3,0,0]=4 7245 B13R1.343 NC(=O)OCCOCC1CCCC1 34a_100000742336_200011214921 [0,0,0,1,0,0|3,0,0]=4 7246 B13R1.343 NC(=O)OCCOCC1CCCC1 7a_100000742336_200011214921 [0,0,0,1,0,0|3,0,0]=4 7247 B13R1.343 NC(=O)OCCOCC1CCCC1 7a_100000766696_100000740388 [0,0,0,1,0,0|3,0,0]=4 7248 B13R1.343 NC(=O)OCCSCC1CCCC1 62a_100000740388_200011214921 [0,0,0,1,0,0|3,0,0]=4 7249 B13R1.343 NC(=O)OCCSCC1CCCC1 62a_200011214921_100000740388 [0,0,0,1,0,0|3,0,0]=4 7250 B13R1.343 O=C(O)CNCCCC1CCCC1 269956a_100016091260_100011713738 [0,0,0,1,0,0|1,0,0]=2 7251 B13R1.343 O=C(O)CNCCCC1OCCO1 269956a_100016091260_100000042513 [0,0,0,1,0,0|3,0,0]=4 7252 B13R1.343 O=C(O)CNCCCN1CCCC1 269956a_100016091260_100011445909 [0,0,0,1,0,0|2,0,0]=3 7253 B13R1.343 O=C(O)COCCNC1CCCC1 269956a_100000700818_100000179811 [0,0,0,1,0,0|2,0,0]=3 7254 B13R1.343 O=C(O)COCCNC1CCOC1 269956a_100000700818_100000731011 [0,0,0,1,0,0|3,0,0]=4 7255 B13R1.343 O=C(O)CONCCC1CCCC1 269956a_100000106656_100000760354 [0,0,0,1,0,0|2,0,0]=3 7256 B13R1.343 O=C(O)CONCCN1CCCC1 269956a_100000106656_100000004467 [0,0,0,1,0,0|3,0,0]=4 7257 B13R1.343 O=C([O-])CNCCCC1CCCC1 34a_100000736752_100020667443 [0,0,0,1,0,0|1,0,1]=3 7258 B13R1.343 O=C([O-])CNCCOC1CCCC1 34a_100000741755_100020667443 [0,0,0,1,0,0|2,0,1]=4 7259 B13R1.343 O=C([O-])COCCCC1CCCC1 34a_100011215328_100020667443 [0,0,0,1,0,0|1,0,1]=3 7260 B13R1.343 O=C([O-])COCCNC1CCCC1 34a_200000200444_100020667443 [0,0,0,1,0,0|2,0,1]=4 7261 B13R1.343 O=C([O-])COCCOC1CCCC1 34a_100000738311_100020667443 [0,0,0,1,0,0|2,0,1]=4 7262 B13R1.343 O=C([O-])CSCCCC1CCCC1 62a_100011713738_100020667443 [0,0,0,1,0,0|1,0,1]=3 7263 B13R1.343 O=C([O-])CSCCCC1CCCC1 62a_100020667443_100011713738 [0,0,0,1,0,0|1,0,1]=3 7264 B13R1.343 O=C([O-])CSCCCN1CCCC1 62a_100016991639_100020667443 [0,0,0,1,0,0|2,0,1]=4 7265 B13R1.343 O=C([O-])CSCCCN1CCCC1 62a_100020667443_100011445909 [0,0,0,1,0,0|2,0,1]=4 7266 B13R1.343 O=[N+]([O-])CCCCOC1CCCC1 34a_200015379883_100000179811 [0,0,0,1,0,0|2,0,1]=4 7267 B13R1.343 O=[N+]([O-])CCCCOC1CCCC1 7a_200015379883_100000179811 [0,0,0,1,0,0|2,0,1]=4 7268 B13R1.343 O=[N+]([O-])CCCOCC1CCCC1 34a_200000037920_100000740388 [0,0,0,1,0,0|2,0,1]=4 7269 B13R1.343 O=[N+]([O-])CNCCCC1CCCC1 34a_100000736752_100000761209 [0,0,0,1,0,0|2,0,1]=4 7270 B13R1.343 O=[N+]([O-])COCCCC1CCCC1 34a_100011215328_100000761209 [0,0,0,1,0,0|2,0,1]=4 7271 B13R1.343 O=[N+]([O-])CSCCCC1CCCC1 62a_100011713738_100000761209 [0,0,0,1,0,0|2,0,1]=4 7272 B13R1.343 OB(O)CCCCCN1CCCC1 2230a_100000188435_200009817188 [0,0,0,1,0,0|2,0,1]=4 7273 B13R1.343 OB(O)CCCCCN1CCCC1 269982a_100000188435_200009817188 [0,0,0,1,0,0|2,0,1]=4 7274 B13R1.343 OB(O)CCCCNC1CCCC1 2230a_100000211070_200009817182 [0,0,0,1,0,0|2,0,1]=4 7275 B13R1.343 OB(O)CCCCNC1CCCC1 34a_100000211070_200009817182 [0,0,0,1,0,0|2,0,1]=4 7276 B13R1.343 OB(O)CCCCOC1CCCC1 34a_100000210269_200009817182 [0,0,0,1,0,0|2,0,1]=4 7277 B13R1.343 OB(O)CCCCOC1CCCC1 7a_100000210269_200009817182 [0,0,0,1,0,0|2,0,1]=4 7278 B13R1.343 OB(O)CCCCSC1CCCC1 62a_100011217020_200009817182 [0,0,0,1,0,0|2,0,1]=4 7279 B13R1.343 OB(O)CCCCSC1CCCC1 62a_200009817182_100000179811 [0,0,0,1,0,0|2,0,1]=4 7280 B13R1.362 C=C1CC(C1)CNCCCCCC 2230a_100102567296_100000210314 [0,0,0,1,0,0|3,0,0]=4 7281 B13R1.362 C=C1CC(C1)CNCCCCCC 34a_100102567296_100000210314 [0,0,0,1,0,0|3,0,0]=4 7282 B13R1.362 C=C1CC(C1)COCCCCCC 34a_100011011225_100000210314 [0,0,0,1,0,0|3,0,0]=4 7283 B13R1.362 C=C1CC(C1)NCCCCCCC 2230a_100132301982_100000210681 [0,0,0,1,0,0|3,0,0]=4 7284 B13R1.362 CCCCCCCCN1CC(C1)O 269982a_100000749847_100000210759 [0,0,0,1,0,0|2,0,1]=4 7285 B13R1.362 CCCCCCCN[C@H]1C[C@@H](C1)O 2230a_100020629032_100000210681 [0,0,0,1,0,0|2,0,1]=4 7286 B13R1.362 CCCCCCCSC1CC(=O)C1 62a_100009894365_100000210316 [0,0,0,1,0,0|2,0,0]=3 7287 B13R1.362 CCCCCCNCC1CC(=O)C1 2230a_100000210581_100009874392 [0,0,0,1,0,0|2,0,0]=3 7288 B13R1.362 CCCCCCNCC1CC(C1)O 2230a_100016992100_100000210314 [0,0,0,1,0,0|2,0,1]=4 7289 B13R1.362 CCCCCCOCC1CC(=O)C1 34a_100000101936_100000210314 [0,0,0,1,0,0|2,0,0]=3 7290 B13R1.362 CCCCCCOCC1CC(=O)C1 7a_100000210259_100009874392 [0,0,0,1,0,0|2,0,0]=3 7291 B13R1.362 CCCCCCSCC1CC(=O)C1 62a_100000210314_100009874392 [0,0,0,1,0,0|2,0,0]=3 7292 B13R1.362 CCCCCCSCC1CC(=O)C1 62a_100009874392_100000210757 [0,0,0,1,0,0|2,0,0]=3 7293 B13R1.362 CCCCOCCSC1CC(=O)C1 62a_100009894365_100000743108 [0,0,0,1,0,0|3,0,0]=4 7294 B13R1.362 CCCCOCOCC1CC(=O)C1 34a_100000101936_100011995733 [0,0,0,1,0,0|3,0,0]=4 7295 B13R1.362 CCCCOCSCC1CC(=O)C1 62a_100009874392_100011995733 [0,0,0,1,0,0|3,0,0]=4 7296 B13R1.362 CCCCOCSCC1CC(=O)C1 62a_100011995733_100009874392 [0,0,0,1,0,0|3,0,0]=4 7297 B13R1.362 CCCOCCNCC1CC(=O)C1 2230a_100161115042_100009874392 [0,0,0,1,0,0|3,0,0]=4 7298 B13R1.362 CCCOCCOCC1CC(=O)C1 34a_100000101936_100011215938 [0,0,0,1,0,0|3,0,0]=4 7299 B13R1.362 CCCOCCOCC1CC(=O)C1 7a_100000752267_100009874392 [0,0,0,1,0,0|3,0,0]=4 7300 B13R1.362 CCCOCCSCC1CC(=O)C1 62a_100009874392_100011215938 [0,0,0,1,0,0|3,0,0]=4 7301 B13R1.362 CCCOCCSCC1CC(=O)C1 62a_100011215938_100009874392 [0,0,0,1,0,0|3,0,0]=4 7302 B13R1.362 CCCSCCNCC1CC(=O)C1 2230a_100020603323_100009874392 [0,0,0,1,0,0|3,0,0]=4 7303 B13R1.362 CCCSCCOCC1CC(=O)C1 7a_200000230433_100009874392 [0,0,0,1,0,0|3,0,0]=4 7304 B13R1.362 CCOCCCNCC1CC(=O)C1 2230a_100000210961_100009874392 [0,0,0,1,0,0|3,0,0]=4 7305 B13R1.362 CCOCCCOCC1CC(=O)C1 34a_100000101936_100012232248 [0,0,0,1,0,0|3,0,0]=4 7306 B13R1.362 CCOCCCOCC1CC(=O)C1 7a_100000757476_100009874392 [0,0,0,1,0,0|3,0,0]=4 7307 B13R1.362 CCOCCCSCC1CC(=O)C1 62a_100009874392_100012232248 [0,0,0,1,0,0|3,0,0]=4 7308 B13R1.362 CCOCCCSCC1CC(=O)C1 62a_100012232248_100009874392 [0,0,0,1,0,0|3,0,0]=4 7309 B13R1.362 CCSCCCOCC1CC(=O)C1 7a_100011216438_100009874392 [0,0,0,1,0,0|3,0,0]=4 7310 B13R1.362 COCCCCOCC1CC(=O)C1 34a_100000101936_100000755781 [0,0,0,1,0,0|3,0,0]=4 7311 B13R1.362 COCCCCSCC1CC(=O)C1 62a_100000730899_100009874392 [0,0,0,1,0,0|3,0,0]=4 7312 B13R1.362 COCCCCSCC1CC(=O)C1 62a_100009874392_100000730899 [0,0,0,1,0,0|3,0,0]=4 7313 B13R1.362 CSCCCCOCC1CC(=O)C1 7a_100011217163_100009874392 [0,0,0,1,0,0|3,0,0]=4 7314 B13R1.362 O=C1CC(C1)CNCCCCCO 2230a_100000762737_100009874392 [0,0,0,1,0,0|3,0,0]=4 7315 B13R1.362 O=C1CC(C1)COCCCCCBr 7a_100000746331_100009874392 [0,0,0,1,0,0|3,0,0]=4 7316 B13R1.362 O=C1CC(C1)COCCCCCCl 7a_100000746330_100009874392 [0,0,0,1,0,0|3,0,0]=4 7317 B13R1.362 O=C1CC(C1)COCCCCCF 34a_100000101936_100000729378 [0,0,0,1,0,0|3,0,0]=4 7318 B13R1.362 O=C1CC(C1)COCCCCCI 7a_200012148887_100009874392 [0,0,0,1,0,0|3,0,0]=4 7319 B13R1.362 O=C1CC(C1)COCCCCCO 34a_100000101936_100000746330 [0,0,0,1,0,0|3,0,0]=4 7320 B13R1.362 O=C1CC(C1)CSCCCCCF 62a_100000729378_100009874392 [0,0,0,1,0,0|3,0,0]=4 7321 B13R1.362 O=C1CC(C1)CSCCCCCF 62a_100009874392_100000729378 [0,0,0,1,0,0|3,0,0]=4 7322 B13R1.362 O=C1CC(C1)CSCCCCCO 62a_100000746330_100009874392 [0,0,0,1,0,0|3,0,0]=4 7323 B13R1.362 O=C1CC(C1)CSCCCCCO 62a_100009874392_100000746330 [0,0,0,1,0,0|3,0,0]=4 7324 B13R1.362 O=C1CC(C1)SCCCCCCF 62a_100009894365_100015922095 [0,0,0,1,0,0|3,0,0]=4 7325 B13R1.362 O=C1CC(C1)SCCCCCCO 62a_100009894365_100000766143 [0,0,0,1,0,0|3,0,0]=4 7326 B13R1.380 C=C(C)CN1CCCCC1CCC 2230a_100000701414_100000748629 [0,0,0,1,0,0|3,0,0]=4 7327 B13R1.380 C=C(C)CN1CCCCC1CCC 269982a_100000701414_100000748629 [0,0,0,1,0,0|3,0,0]=4 7328 B13R1.380 C=C(C)CN1CCCCC1CCC 34a_100000701414_100000748629 [0,0,0,1,0,0|3,0,0]=4 7329 B13R1.380 C=C(F)CN1CCCCC1CCC 2230a_100000701414_100009893438 [0,0,0,1,0,0|3,0,0]=4 7330 B13R1.380 C=C(F)CN1CCCCC1CCC 269982a_100000701414_100009893438 [0,0,0,1,0,0|3,0,0]=4 7331 B13R1.380 C=C(F)CN1CCCCC1CCC 34a_100000701414_100009893438 [0,0,0,1,0,0|3,0,0]=4 7332 B13R1.380 CCCC1CCCCN1CC(=O)N 2230a_100000701414_100000747473 [0,0,0,1,0,0|2,0,0]=3 7333 B13R1.380 CCCC1CCCCN1CC(=O)N 269982a_100000701414_100000187820 [0,0,0,1,0,0|2,0,0]=3 7334 B13R1.380 CCCC1CCCCN1CC(=O)N 34a_100000701414_100000187820 [0,0,0,1,0,0|2,0,0]=3 7335 B13R1.380 CCCC1CCCCN1CC(=O)[O-] 269982a_100000701414_100020667443 [0,0,0,1,0,0|1,0,1]=3 7336 B13R1.380 CCCC1CCCCN1CC(=O)[O-] 34a_100000701414_100020667443 [0,0,0,1,0,0|1,0,1]=3 7337 B13R1.380 CCCC1CCCCN1CC(C)O 2230a_100000701414_100011218427 [0,0,0,1,0,0|2,0,1]=4 7338 B13R1.380 CCCC1CCCCN1CC(C)O 269982a_100000701414_100011218427 [0,0,0,1,0,0|2,0,1]=4 7339 B13R1.380 CCCC1CCCCN1CC(C)O 34a_100000701414_100011218427 [0,0,0,1,0,0|2,0,1]=4 7340 B13R1.380 CCCC1CCCCN1C[C@@H](C)O 2230a_100000701414_100009817552 [0,0,0,1,0,0|2,0,1]=4 7341 B13R1.380 CCCC1CCCCN1C[C@@H](C)O 269982a_100000701414_100009817552 [0,0,0,1,0,0|2,0,1]=4 7342 B13R1.380 CCCC1CCCCN1C[C@@H](C)O 34a_100000701414_100009817552 [0,0,0,1,0,0|2,0,1]=4 7343 B13R1.380 CCCC1CCCCN1C[N+](=O)[O-] 269982a_100000701414_100000761209 [0,0,0,1,0,0|2,0,1]=4 7344 B13R1.380 CCCC1CCCCN1C[N+](=O)[O-] 34a_100000701414_100000761209 [0,0,0,1,0,0|2,0,1]=4 7345 B13R1.380 CCCC1COCCN1CC(=O)N 2230a_102495339903_100000747473 [0,0,0,1,0,0|3,0,0]=4 7346 B13R1.380 CCCC1COCCN1CC(=O)N 269982a_102495339903_100000187820 [0,0,0,1,0,0|3,0,0]=4 7347 B13R1.380 CCCC1COCCN1CC(=O)N 34a_102495339903_100000187820 [0,0,0,1,0,0|3,0,0]=4 7348 B13R1.380 CCCC1COCCN1CC(=O)[O-] 269982a_102495339903_100020667443 [0,0,0,1,0,0|2,0,1]=4 7349 B13R1.380 CCCC1COCCN1CC(=O)[O-] 34a_102495339903_100020667443 [0,0,0,1,0,0|2,0,1]=4 7350 B13R1.380 CCCN1CCCCC1CC(=O)N 2230a_100015184752_100000210303 [0,0,0,1,0,0|2,0,0]=3 7351 B13R1.380 CCCN1CCCCC1CC(=O)N 269982a_100015184752_100000210303 [0,0,0,1,0,0|2,0,0]=3 7352 B13R1.380 CCCN1CCCCC1CC(=O)N 34a_100015184752_100000210303 [0,0,0,1,0,0|2,0,0]=3 7353 B13R1.380 COCC1CCCCN1CC(=O)N 2230a_100015184032_100000747473 [0,0,0,1,0,0|3,0,0]=4 7354 B13R1.380 COCC1CCCCN1CC(=O)N 269982a_100015184032_100000187820 [0,0,0,1,0,0|3,0,0]=4 7355 B13R1.380 COCC1CCCCN1CC(=O)N 34a_100015184032_100000187820 [0,0,0,1,0,0|3,0,0]=4 7356 B13R1.380 COCC1CCCCN1CC(=O)[O-] 269982a_100015184032_100020667443 [0,0,0,1,0,0|2,0,1]=4 7357 B13R1.380 COCC1CCCCN1CC(=O)[O-] 34a_100015184032_100020667443 [0,0,0,1,0,0|2,0,1]=4 7358 B13R1.380 COCN1CCCCC1CC(=O)N 2230a_100015184752_100000766300 [0,0,0,1,0,0|3,0,0]=4 7359 B13R1.380 COCN1CCCCC1CC(=O)N 269982a_100015184752_100000766300 [0,0,0,1,0,0|3,0,0]=4 7360 B13R1.380 CSCN1CCCCC1CC(=O)N 2230a_100015184752_100011218213 [0,0,0,1,0,0|3,0,0]=4 7361 B13R1.380 CSCN1CCCCC1CC(=O)N 269982a_100015184752_100011218213 [0,0,0,1,0,0|3,0,0]=4 7362 B13R1.380 CSCN1CCCCC1CC(=O)N 34a_100015184752_100011218213 [0,0,0,1,0,0|3,0,0]=4 7363 B13R1.380 NC(=O)CC1CCCCN1CCF 2230a_100015184752_100011217306 [0,0,0,1,0,0|3,0,0]=4 7364 B13R1.380 NC(=O)CC1CCCCN1CCF 269982a_100015184752_100011217306 [0,0,0,1,0,0|3,0,0]=4 7365 B13R1.380 NC(=O)CC1CCCCN1CCF 34a_100015184752_100011217306 [0,0,0,1,0,0|3,0,0]=4 7366 B13R1.380 NC(=O)CC1CCCCN1CCO 2230a_100015184752_100000211926 [0,0,0,1,0,0|3,0,0]=4 7367 B13R1.380 NC(=O)CC1CCCCN1CCO 269982a_100015184752_100000211926 [0,0,0,1,0,0|3,0,0]=4 7368 B13R1.380 NC(=O)CC1CCCCN1CCO 34a_100015184752_100000211926 [0,0,0,1,0,0|3,0,0]=4 7369 B13R1.380 NC(=O)CN1CCCCC1CCO 2230a_100000211664_100000747473 [0,0,0,1,0,0|3,0,0]=4 7370 B13R1.380 NC(=O)CN1CCCCC1CCO 269982a_100000211664_100000187820 [0,0,0,1,0,0|3,0,0]=4 7371 B13R1.380 NC(=O)CN1CCCCC1CCO 34a_100000211664_100000187820 [0,0,0,1,0,0|3,0,0]=4 7372 B13R1.380 O=C([O-])CN1CCCCC1CCO 269982a_100000211664_100020667443 [0,0,0,1,0,0|2,0,1]=4 7373 B13R1.380 O=C([O-])CN1CCCCC1CCO 34a_100000211664_100020667443 [0,0,0,1,0,0|2,0,1]=4 7374 B13R1.392 CCCC1CCCC1NCC(C)O 269862a_100000210904_100000723119 [0,0,0,1,0,0|2,0,1]=4 7375 B13R1.392 CCCC1CCCC1NCC(C)O 270004a_100000210904_100000723119 [0,0,0,1,0,0|2,0,1]=4 7376 B13R1.392 COC[C@@H]1CCCN1CCC(=O)C 269982a_100020646714_100000053229 [0,0,0,1,0,0|3,0,0]=4 7377 B13R1.392 COC[C@@H]1CCCN1CCC(=O)N 2230a_100020646714_100000744528 [0,0,0,1,0,0|3,0,0]=4 7378 B13R1.392 COC[C@@H]1CCCN1CCC(=O)N 269982a_100020646714_100000744528 [0,0,0,1,0,0|3,0,0]=4 7379 B13R1.392 COC[C@@H]1CCCN1CCC(=O)N 34a_100020646714_100000731001 [0,0,0,1,0,0|3,0,0]=4 7380 B13R1.572 C#CCCN1CCCC[C@@H]1C(=O)O 269956a_100000763471_100000688953 [0,0,0,1,0,0|1,0,2]=4 7381 B13R1.572 C#CCN[C@@H]1CCCC[C@H]1C(=O)O 269956a_100009816435_100000184674 [0,0,0,1,0,0|1,0,2]=4 7382 B13R1.572 C/C=C/CN1CCCC[C@@H]1C(=O)O 269956a_100000763471_100102629194 [0,0,0,1,0,0|1,0,2]=4 7383 B13R1.572 C=CCCN1CCCC[C@@H]1C(=O)O 269956a_100000763471_100000754431 [0,0,0,1,0,0|1,0,2]=4 7384 B13R1.572 C=CCN[C@@H]1CCCC[C@H]1C(=O)O 269956a_100009816435_100000210623 [0,0,0,1,0,0|1,0,2]=4 7385 B13R1.572 CC#CCN1CCCC[C@@H]1C(=O)O 269956a_100000763471_100000748600 [0,0,0,1,0,0|1,0,2]=4 7386 B13R1.572 CC(=O)N1CCCCC1CCCO 240690a_100011934581_100015343762 [0,0,0,1,0,0|3,0,0]=4 7387 B13R1.572 CCCCN1CCCCC1C(=O)N 2230a_100000181395_100000210211 [0,0,0,1,0,0|2,0,0]=3 7388 B13R1.572 CCCCN1CCCCC1C(=O)N 269982a_100000181395_100000210211 [0,0,0,1,0,0|2,0,0]=3 7389 B13R1.572 CCCCN1CCCCC1C(=O)N 34a_100000181395_100000210210 [0,0,0,1,0,0|2,0,0]=3 7390 B13R1.572 CCCCN1CCCC[C@@H]1C(=O)O 269956a_100000763471_100000210211 [0,0,0,1,0,0|1,0,0]=2 7391 B13R1.572 CCCCN1CCOC[C@@H]1C(=O)O 269956a_100016993156_100000210211 [0,0,0,1,0,0|2,0,0]=3 7392 B13R1.572 CCCCN1CCSCC1C(=O)O 269956a_100011346106_100000210211 [0,0,0,1,0,0|2,0,0]=3 7393 B13R1.572 CCCCN1CSCCC1C(=O)O 269956a_100015185162_100000210211 [0,0,0,1,0,0|2,0,0]=3 7394 B13R1.572 CCCN[C@@H]1CCCC[C@H]1C(=O)O 269956a_100009816435_100000210207 [0,0,0,1,0,0|1,0,0]=2 7395 B13R1.572 CCOCN1CCCCC1C(=O)N 269982a_100000181395_100000739092 [0,0,0,1,0,0|3,0,0]=4 7396 B13R1.572 CCOCN1CCCC[C@@H]1C(=O)O 269956a_100000763471_100000739092 [0,0,0,1,0,0|2,0,0]=3 7397 B13R1.572 CCOCN1CCOC[C@@H]1C(=O)O 269956a_100016993156_100000739092 [0,0,0,1,0,0|3,0,0]=4 7398 B13R1.572 CCOCN1CCSCC1C(=O)O 269956a_100011346106_100000739092 [0,0,0,1,0,0|3,0,0]=4 7399 B13R1.572 CCOCN1CSCCC1C(=O)O 269956a_100015185162_100000739092 [0,0,0,1,0,0|3,0,0]=4 7400 B13R1.572 COCCC1CCCCN1C(=O)C 11a_100015186528_100015343762 [0,0,0,1,0,0|3,0,0]=4 7401 B13R1.572 COCCC1CCCCN1C(=O)C 1626a_100015186528_100015343762 [0,0,0,1,0,0|3,0,0]=4 7402 B13R1.572 COCCC1CCCCN1C(=O)C 240690a_100015186528_100015343762 [0,0,0,1,0,0|3,0,0]=4 7403 B13R1.572 COCCC1CCCCN1C(=O)C 527a_100015186528_100103153847 [0,0,0,1,0,0|3,0,0]=4 7404 B13R1.572 COCCN1CCCCC1C(=O)N 2230a_100000181395_100011201679 [0,0,0,1,0,0|3,0,0]=4 7405 B13R1.572 COCCN1CCCCC1C(=O)N 269982a_100000181395_100000233755 [0,0,0,1,0,0|3,0,0]=4 7406 B13R1.572 COCCN1CCCCC1C(=O)N 34a_100000181395_100011201679 [0,0,0,1,0,0|3,0,0]=4 7407 B13R1.572 COCCN1CCCC[C@@H]1C(=O)O 269956a_100000763471_100000233755 [0,0,0,1,0,0|2,0,0]=3 7408 B13R1.572 COCCN1CCOC[C@@H]1C(=O)O 269956a_100016993156_100000233755 [0,0,0,1,0,0|3,0,0]=4 7409 B13R1.572 COCCN1CCSCC1C(=O)O 269956a_100011346106_100000233755 [0,0,0,1,0,0|3,0,0]=4 7410 B13R1.572 COCCN1CSCCC1C(=O)O 269956a_100015185162_100000233755 [0,0,0,1,0,0|3,0,0]=4 7411 B13R1.572 COCN[C@@H]1CCCC[C@H]1C(=O)O 269956a_100009816435_100000766300 [0,0,0,1,0,0|2,0,0]=3 7412 B13R1.572 CSCCN1CCCCC1C(=O)N 2230a_100000181395_100000751147 [0,0,0,1,0,0|3,0,0]=4 7413 B13R1.572 CSCCN1CCCCC1C(=O)N 269982a_100000181395_100000212216 [0,0,0,1,0,0|3,0,0]=4 7414 B13R1.572 CSCCN1CCCCC1C(=O)N 34a_100000181395_100000212216 [0,0,0,1,0,0|3,0,0]=4 7415 B13R1.572 CSCCN1CCCC[C@@H]1C(=O)O 269956a_100000763471_100000212216 [0,0,0,1,0,0|2,0,0]=3 7416 B13R1.572 CSCCN1CCOC[C@@H]1C(=O)O 269956a_100016993156_100000212216 [0,0,0,1,0,0|3,0,0]=4 7417 B13R1.572 CSCCN1CCSCC1C(=O)O 269956a_100011346106_100000212216 [0,0,0,1,0,0|3,0,0]=4 7418 B13R1.572 CSCCN1CSCCC1C(=O)O 269956a_100015185162_100000212216 [0,0,0,1,0,0|3,0,0]=4 7419 B13R1.572 CSCN[C@@H]1CCCC[C@H]1C(=O)O 269956a_100009816435_100011218213 [0,0,0,1,0,0|2,0,0]=3 7420 B13R1.572 N#CCCN1CCCC[C@@H]1C(=O)O 269956a_100000763471_100011215226 [0,0,0,1,0,0|2,0,1]=4 7421 B13R1.572 N#CCN[C@@H]1CCCC[C@H]1C(=O)O 269956a_100009816435_100011215382 [0,0,0,1,0,0|2,0,1]=4 7422 B13R1.572 NC(=O)C1CCCCN1CCCF 2230a_100000181395_100011934791 [0,0,0,1,0,0|3,0,0]=4 7423 B13R1.572 NC(=O)C1CCCCN1CCCF 269982a_100000181395_100011934791 [0,0,0,1,0,0|3,0,0]=4 7424 B13R1.572 NC(=O)C1CCCCN1CCCF 34a_100000181395_100011934791 [0,0,0,1,0,0|3,0,0]=4 7425 B13R1.572 NC(=O)C1CCCCN1CCCO 2230a_100000181395_100000230001 [0,0,0,1,0,0|3,0,0]=4 7426 B13R1.572 NC(=O)C1CCCCN1CCCO 269982a_100000181395_100011215043 [0,0,0,1,0,0|3,0,0]=4 7427 B13R1.572 NC(=O)C1CCCCN1CCCO 34a_100000181395_100000230001 [0,0,0,1,0,0|3,0,0]=4 7428 B13R1.572 O=C(O)C1CCSCN1CCCF 269956a_100015185162_100011934791 [0,0,0,1,0,0|3,0,0]=4 7429 B13R1.572 O=C(O)C1CCSCN1CCCO 269956a_100015185162_100011215043 [0,0,0,1,0,0|3,0,0]=4 7430 B13R1.572 O=C(O)C1CSCCN1CCCF 269956a_100011346106_100011934791 [0,0,0,1,0,0|3,0,0]=4 7431 B13R1.572 O=C(O)C1CSCCN1CCCO 269956a_100011346106_100011215043 [0,0,0,1,0,0|3,0,0]=4 7432 B13R1.572 O=C(O)[C@@H]1CCCC[C@H]1NCCF 269956a_100009816435_100011217306 [0,0,0,1,0,0|2,0,0]=3 7433 B13R1.572 O=C(O)[C@@H]1CCCC[C@H]1NCCO 269956a_100009816435_100000211926 [0,0,0,1,0,0|2,0,0]=3 7434 B13R1.572 O=C(O)[C@H]1CCCCN1CCCF 269956a_100000763471_100011934791 [0,0,0,1,0,0|2,0,0]=3 7435 B13R1.572 O=C(O)[C@H]1CCCCN1CCCO 269956a_100000763471_100011215043 [0,0,0,1,0,0|2,0,0]=3 7436 B13R1.572 O=C(O)[C@H]1COCCN1CCCF 269956a_100016993156_100011934791 [0,0,0,1,0,0|3,0,0]=4 7437 B13R1.572 O=C(O)[C@H]1COCCN1CCCO 269956a_100016993156_100011215043 [0,0,0,1,0,0|3,0,0]=4 7438 B13R1.572 O=CCN[C@@H]1CCCC[C@H]1C(=O)O 269956a_100009816435_200015260668 [0,0,0,1,0,0|2,0,1]=4 7439 B13R1.586 CC(=O)CCCCNCC1CCC1 34a_100000738700_100009817362 [0,0,0,1,0,0|2,0,0]=3 7440 B13R1.586 CC(=O)CCCCNCC1COC1 34a_100015281925_100009817362 [0,0,0,1,0,0|3,0,0]=4 7441 B13R1.586 CC(=O)CCCCNC[C@@H]1CCO1 34a_100020831831_100009817362 [0,0,0,1,0,0|3,0,0]=4 7442 B13R1.586 CC(=O)CCCCOCC1CCC1 34a_100000760304_100009817362 [0,0,0,1,0,0|2,0,0]=3 7443 B13R1.586 CC(=O)CCCCOCC1CCO1 34a_100000039022_100009817362 [0,0,0,1,0,0|3,0,0]=4 7444 B13R1.586 CC(=O)CCCCOCC1CNC1 34a_100016987283_100009817362 [0,0,0,1,0,0|3,0,0]=4 7445 B13R1.586 CC(=O)CCCCOCC1COC1 34a_100000060846_100009817362 [0,0,0,1,0,0|3,0,0]=4 7446 B13R1.586 CC(=O)CCCCSCC1CCC1 62a_100000735457_100000763275 [0,0,0,1,0,0|2,0,0]=3 7447 B13R1.586 CC(=O)CCCCSCC1CCC1 62a_100000763275_100000735457 [0,0,0,1,0,0|2,0,0]=3 7448 B13R1.586 CC(=O)CCCCSCC1CCO1 62a_100000103362_100000735457 [0,0,0,1,0,0|3,0,0]=4 7449 B13R1.586 CC(=O)CCCCSCC1CCO1 62a_100000735457_100000103362 [0,0,0,1,0,0|3,0,0]=4 7450 B13R1.586 CC(=O)CCCCSCC1COC1 62a_100000735457_100010264016 [0,0,0,1,0,0|3,0,0]=4 7451 B13R1.586 CC(=O)CCCCSCC1COC1 62a_100010264016_100000735457 [0,0,0,1,0,0|3,0,0]=4 7452 B13R1.586 CC(=O)CCCOCCC1COC1 34a_100009855314_100000685027 [0,0,0,1,0,0|3,0,0]=4 7453 B13R1.586 CC(=O)NCCCCNC1CCC1 270004a_200011368371_100000241760 [0,0,0,1,0,0|3,0,0]=4 7454 B13R1.586 CC(=O)NCCCCNC1CCC1 34a_200011368371_100000749161 [0,0,0,1,0,0|3,0,0]=4 7455 B13R1.586 CC(=O)NCCCNCC1CCC1 269862a_100000736810_100000753134 [0,0,0,1,0,0|3,0,0]=4 7456 B13R1.586 CC(=O)NCCCNCC1CCC1 34a_100000736810_100000763275 [0,0,0,1,0,0|3,0,0]=4 7457 B13R1.586 CC(=O)NCCCOCC1CCC1 34a_100000752032_100000763275 [0,0,0,1,0,0|3,0,0]=4 7458 B13R1.586 CC(=O)OCCCCCN1CCC1 269982a_100000754969_100000033007 [0,0,0,1,0,0|3,0,0]=4 7459 B13R1.586 CC(=O)OCCCCNC1CCC1 34a_100000749019_100000033659 [0,0,0,1,0,0|3,0,0]=4 7460 B13R1.586 CC(=O)OCCCCOC1CCC1 34a_100000073216_100000749161 [0,0,0,1,0,0|3,0,0]=4 7461 B13R1.586 CC(=O)OCCCCOC1CCC1 34a_100000748187_100000033659 [0,0,0,1,0,0|3,0,0]=4 7462 B13R1.586 CC(=O)OCCCCSC1CCC1 62a_100000033659_100000749161 [0,0,0,1,0,0|3,0,0]=4 7463 B13R1.586 CC(=O)OCCCNCC1CCC1 34a_100000738700_100000042594 [0,0,0,1,0,0|3,0,0]=4 7464 B13R1.586 CC(=O)OCCCOCC1CCC1 34a_100000760304_100000042594 [0,0,0,1,0,0|3,0,0]=4 7465 B13R1.586 CC(=O)OCCCSCC1CCC1 62a_100000042594_100000763275 [0,0,0,1,0,0|3,0,0]=4 7466 B13R1.586 CC(=O)OCCCSCC1CCC1 62a_100000763275_100000042594 [0,0,0,1,0,0|3,0,0]=4 7467 B13R1.586 CC(=O)SCCCCNC1CCC1 2230a_100000749019_200010402107 [0,0,0,1,0,0|3,0,0]=4 7468 B13R1.586 CC(=O)SCCCCNC1CCC1 34a_100000749019_200010402107 [0,0,0,1,0,0|3,0,0]=4 7469 B13R1.586 CC(=O)SCCCCOC1CCC1 34a_100000748187_200010402107 [0,0,0,1,0,0|3,0,0]=4 7470 B13R1.586 CC(=O)SCCCCSC1CCC1 62a_200010402107_100000749161 [0,0,0,1,0,0|3,0,0]=4 7471 B13R1.586 CC(=O)SCCCNCC1CCC1 2230a_100000738700_100000038929 [0,0,0,1,0,0|3,0,0]=4 7472 B13R1.586 CC(=O)SCCCNCC1CCC1 34a_100000738700_100000038929 [0,0,0,1,0,0|3,0,0]=4 7473 B13R1.586 CC(=O)SCCCOCC1CCC1 34a_100000760304_100000038929 [0,0,0,1,0,0|3,0,0]=4 7474 B13R1.586 CC(=O)SCCCSCC1CCC1 62a_100000038929_100000763275 [0,0,0,1,0,0|3,0,0]=4 7475 B13R1.586 CC(=O)SCCCSCC1CCC1 62a_100000763275_100000038929 [0,0,0,1,0,0|3,0,0]=4 7476 B13R1.586 NC(=O)CCCCCNC1CCC1 2230a_100000749019_100009817443 [0,0,0,1,0,0|2,0,0]=3 7477 B13R1.586 NC(=O)CCCCCNC1CCC1 34a_100000749019_100009817443 [0,0,0,1,0,0|2,0,0]=3 7478 B13R1.586 NC(=O)CCCCCNC1COC1 2230a_100016991112_100009817443 [0,0,0,1,0,0|3,0,0]=4 7479 B13R1.586 NC(=O)CCCCCOC1CCC1 34a_100000123541_100000749161 [0,0,0,1,0,0|2,0,0]=3 7480 B13R1.586 NC(=O)CCCCCOC1CCC1 34a_100000748187_100009817443 [0,0,0,1,0,0|2,0,0]=3 7481 B13R1.586 NC(=O)CCCCCOC1COC1 34a_100000123541_100009818527 [0,0,0,1,0,0|3,0,0]=4 7482 B13R1.586 NC(=O)CCCCCOC1COC1 7a_100000123541_100009818527 [0,0,0,1,0,0|3,0,0]=4 7483 B13R1.586 NC(=O)CCCCCOC1CSC1 7a_100000072292_100009817443 [0,0,0,1,0,0|3,0,0]=4 7484 B13R1.586 NC(=O)CCCCCSC1CCC1 62a_100009817443_100000749161 [0,0,0,1,0,0|2,0,0]=3 7485 B13R1.586 NC(=O)CCCCCSC1COC1 62a_100009817443_100009818527 [0,0,0,1,0,0|3,0,0]=4 7486 B13R1.586 NC(=O)CCCCNCC1CCC1 269862a_100000696515_100000753134 [0,0,0,1,0,0|2,0,0]=3 7487 B13R1.586 NC(=O)CCCCNCC1CCC1 34a_100000696515_100000763275 [0,0,0,1,0,0|2,0,0]=3 7488 B13R1.586 NC(=O)CCCCNCC1CCO1 34a_100000696515_100000103362 [0,0,0,1,0,0|3,0,0]=4 7489 B13R1.586 NC(=O)CCCCNCC1COC1 34a_100000696515_100010264016 [0,0,0,1,0,0|3,0,0]=4 7490 B13R1.586 NC(=O)CCCCOCC1CCC1 34a_100012022536_100000763275 [0,0,0,1,0,0|2,0,0]=3 7491 B13R1.586 NC(=O)CCCCOCC1CCC1 7a_100012022536_100000763275 [0,0,0,1,0,0|2,0,0]=3 7492 B13R1.586 NC(=O)CCCCOCC1CCO1 34a_100012022536_100000103362 [0,0,0,1,0,0|3,0,0]=4 7493 B13R1.586 NC(=O)CCCCOCC1CCO1 7a_100012022536_100000103362 [0,0,0,1,0,0|3,0,0]=4 7494 B13R1.586 NC(=O)CCCCOCC1COC1 34a_100012022536_100010264016 [0,0,0,1,0,0|3,0,0]=4 7495 B13R1.586 NC(=O)CCCCOCC1COC1 7a_100012022536_100010264016 [0,0,0,1,0,0|3,0,0]=4 7496 B13R1.586 NC(=O)CCCOCCC1COC1 34a_100009855314_100102525003 [0,0,0,1,0,0|3,0,0]=4 7497 B13R1.586 NC(=O)COCCNCC1CCC1 2230a_100000738700_100000076697 [0,0,0,1,0,0|3,0,0]=4 7498 B13R1.586 NC(=O)COCCNCC1CCC1 34a_100000738700_100000076697 [0,0,0,1,0,0|3,0,0]=4 7499 B13R1.586 NC(=O)COCCOCC1CCC1 34a_100000760304_100000076697 [0,0,0,1,0,0|3,0,0]=4 7500 B13R1.586 NC(=O)COCCSCC1CCC1 62a_100000076697_100000763275 [0,0,0,1,0,0|3,0,0]=4 7501 B13R1.586 NC(=O)COCCSCC1CCC1 62a_100000763275_100000076697 [0,0,0,1,0,0|3,0,0]=4 7502 B13R1.586 O=C(O)COCCNCC1CCC1 269956a_100000700818_100000763275 [0,0,0,1,0,0|2,0,0]=3 7503 B13R1.586 O=C(O)COCCNCC1CCO1 269956a_100000700818_100000103362 [0,0,0,1,0,0|3,0,0]=4 7504 B13R1.586 O=C(O)COCCNCC1COC1 269956a_100000700818_100010264016 [0,0,0,1,0,0|3,0,0]=4 7505 B13R1.586 O=C([O-])CCCCCOC1COC1 7a_100102619762_100009818527 [0,0,0,1,0,0|2,0,1]=4 7506 B13R1.586 O=[N+]([O-])CCCCOCC1CCC1 34a_200015379883_100000763275 [0,0,0,1,0,0|2,0,1]=4 7507 B13R1.586 O=[N+]([O-])CCCCOCC1CCC1 7a_200015379883_100000763275 [0,0,0,1,0,0|2,0,1]=4 7508 B13R1.586 OB(O)CCCCCCN1CCC1 269982a_100000754969_100009817187 [0,0,0,1,0,0|2,0,1]=4 7509 B13R1.586 OB(O)CCCCCNC1CCC1 2230a_100000749019_200009817188 [0,0,0,1,0,0|2,0,1]=4 7510 B13R1.586 OB(O)CCCCCNC1CCC1 34a_100000749019_200009817188 [0,0,0,1,0,0|2,0,1]=4 7511 B13R1.586 OB(O)CCCCCOC1CCC1 34a_100000748187_200009817188 [0,0,0,1,0,0|2,0,1]=4 7512 B13R1.586 OB(O)CCCCCSC1CCC1 62a_200009817188_100000749161 [0,0,0,1,0,0|2,0,1]=4 7513 B13R1.586 OB(O)CCCCNCC1CCC1 2230a_100000738700_200009817182 [0,0,0,1,0,0|2,0,1]=4 7514 B13R1.586 OB(O)CCCCNCC1CCC1 34a_100000738700_200009817182 [0,0,0,1,0,0|2,0,1]=4 7515 B13R1.586 OB(O)CCCCOCC1CCC1 34a_100000760304_200009817182 [0,0,0,1,0,0|2,0,1]=4 7516 B13R1.586 OB(O)CCCCSCC1CCC1 62a_100000763275_200009817182 [0,0,0,1,0,0|2,0,1]=4 7517 B13R1.586 OB(O)CCCCSCC1CCC1 62a_200009817182_100000763275 [0,0,0,1,0,0|2,0,1]=4 7518 B13R1.614 CN[C@@H]1CCCCCC[C@@H]1C(=O)O 269956a_200049070474_200000210301 [0,0,0,1,0,0|1,0,0]=2 7519 B13R1.614 [13CH3]N[C@@H]1CCCCCC[C@@H]1C(=O)O 269956a_200049070474_200025704644 [0,0,0,1,0,0|1,0,0]=2 7520 B13R1.659 CCCCCCCCNCC1CO1 2230a_100000229939_100011216344 [0,0,0,1,0,0|2,0,1]=4 7521 B13R1.659 CCCCCCCCNCC1CO1 34a_100000229939_102125554688 [0,0,0,1,0,0|2,0,1]=4 7522 B13R1.659 CCCCCCCCOCC1CO1 34a_100000210232_102125554688 [0,0,0,1,0,0|2,0,1]=4 7523 B13R1.659 CCCCCCCCOCC1CO1 7a_100000210232_102125554688 [0,0,0,1,0,0|2,0,1]=4 7524 B13R1.659 CCCCCCCCOC[C@@H]1CO1 34a_100000757423_100000210759 [0,0,0,1,0,0|2,0,1]=4 7525 B13R1.659 CCCCCCCCOC[C@@H]1CO1 7a_100000210232_100000745022 [0,0,0,1,0,0|2,0,1]=4 7526 B13R1.659 CCCCCCCCSCC1CO1 62a_100000210759_102125554688 [0,0,0,1,0,0|2,0,1]=4 7527 B13R1.659 CCCCCCCCSCC1CO1 62a_102125554688_100000210317 [0,0,0,1,0,0|2,0,1]=4 7528 B13R1.659 CCCCCCCCSC[C@@H]1CO1 62a_100000210759_100000745022 [0,0,0,1,0,0|2,0,1]=4 7529 B13R1.659 CCCCCCCCSC[C@@H]1CO1 62a_100000745022_100000210317 [0,0,0,1,0,0|2,0,1]=4 7530 B13R1.659 CCCCCCCNCCC1CO1 2230a_100000229938_100000732470 [0,0,0,1,0,0|2,0,1]=4 7531 B13R1.659 CCCCCCCOCCC1CO1 34a_100000210272_100000732470 [0,0,0,1,0,0|2,0,1]=4 7532 B13R1.659 CCCCCCCOCCC1CO1 7a_100000210272_100000732470 [0,0,0,1,0,0|2,0,1]=4 7533 B13R1.659 CCCCCCCOCC[C@@H]1CO1 34a_100009820653_100000210614 [0,0,0,1,0,0|2,0,1]=4 7534 B13R1.659 CCCCCCCSCCC1CO1 62a_100000210614_100000732470 [0,0,0,1,0,0|2,0,1]=4 7535 B13R1.659 CCCCCCCSCCC1CO1 62a_100000732470_100000210316 [0,0,0,1,0,0|2,0,1]=4 7536 B13R1.659 CCCCCCNCCCC1CO1 2230a_100000210581_100000733510 [0,0,0,1,0,0|2,0,1]=4 7537 B13R1.659 CCCCCCOCCCC1CO1 34a_100000210259_100000733510 [0,0,0,1,0,0|2,0,1]=4 7538 B13R1.659 CCCCCCOCCCC1CO1 7a_100000210259_100000733510 [0,0,0,1,0,0|2,0,1]=4 7539 B13R1.659 CCCCCCSCCCC1CO1 62a_100000210314_100000733510 [0,0,0,1,0,0|2,0,1]=4 7540 B13R1.659 CCCCCCSCCCC1CO1 62a_100000733510_100000210757 [0,0,0,1,0,0|2,0,1]=4 7541 B13R1.670 C#CCCCN1CCC[C@H]1C(=O)O 269956a_100000743916_100011215417 [0,0,0,1,0,0|1,0,2]=4 7542 B13R1.670 C=CCCCN1CCC[C@H]1C(=O)O 269956a_100000743916_100011713584 [0,0,0,1,0,0|1,0,2]=4 7543 B13R1.670 CC/C=C\CN1CCC[C@H]1C(=O)O 269956a_100000743916_100103147603 [0,0,0,1,0,0|1,0,2]=4 7544 B13R1.670 CCC#CCN1CCC[C@H]1C(=O)O 269956a_100000743916_100009813939 [0,0,0,1,0,0|1,0,2]=4 7545 B13R1.670 CCCCCC1CCCC1N(C)C 270004a_100102631434_200000198059 [0,0,0,1,0,0|3,0,0]=4 7546 B13R1.670 CCCCCN1CC=C[C@H]1C(=O)O 269956a_100000057196_100000210326 [0,0,0,1,0,0|1,0,2]=4 7547 B13R1.670 CCCCCN1CCC[C@H]1C(=O)N 2230a_100000003125_100000210326 [0,0,0,1,0,0|2,0,0]=3 7548 B13R1.670 CCCCCN1CCC[C@H]1C(=O)O 269956a_100000743916_100000210326 [0,0,0,1,0,0|1,0,0]=2 7549 B13R1.670 CCCCCN1CCSC1C(=O)O 269956a_100000035718_100000210326 [0,0,0,1,0,0|2,0,0]=3 7550 B13R1.670 CCCCCN1CSC[C@H]1C(=O)O 269956a_100000743924_100000210326 [0,0,0,1,0,0|2,0,0]=3 7551 B13R1.670 CCCOC[C@@H]1CCCN1C(=O)N 34a_100012022907_100000210303 [0,0,0,1,0,0|3,0,0]=4 7552 B13R1.670 CCCOC[C@@H]1CCCN1C(=O)N 7a_100012022907_100000210303 [0,0,0,1,0,0|3,0,0]=4 7553 B13R1.670 CCCOC[C@H]1CCCN1C(=O)C 34a_100012242843_100000210303 [0,0,0,1,0,0|3,0,0]=4 7554 B13R1.670 CCCOC[C@H]1CCCN1C(=O)C 7a_100012242843_100000210303 [0,0,0,1,0,0|3,0,0]=4 7555 B13R1.670 CCOCCN1CCC[C@H]1C(=O)N 2230a_100000003125_100011215890 [0,0,0,1,0,0|3,0,0]=4 7556 B13R1.670 CCOCCN1CCC[C@H]1C(=O)O 269956a_100000743916_100000210147 [0,0,0,1,0,0|2,0,0]=3 7557 B13R1.670 CCOCCN1CCSC1C(=O)O 269956a_100000035718_100000210147 [0,0,0,1,0,0|3,0,0]=4 7558 B13R1.670 CCOCCN1CSC[C@H]1C(=O)O 269956a_100000743924_100000210147 [0,0,0,1,0,0|3,0,0]=4 7559 B13R1.670 CCSCCN1CCC[C@H]1C(=O)N 2230a_100000003125_100000757381 [0,0,0,1,0,0|3,0,0]=4 7560 B13R1.670 CCSCCN1CCC[C@H]1C(=O)O 269956a_100000743916_100000757381 [0,0,0,1,0,0|2,0,0]=3 7561 B13R1.670 CCSCCN1CCSC1C(=O)O 269956a_100000035718_100000757381 [0,0,0,1,0,0|3,0,0]=4 7562 B13R1.670 CCSCCN1CSC[C@H]1C(=O)O 269956a_100000743924_100000757381 [0,0,0,1,0,0|3,0,0]=4 7563 B13R1.670 COCCCN1CCC[C@H]1C(=O)N 2230a_100000003125_100000740836 [0,0,0,1,0,0|3,0,0]=4 7564 B13R1.670 COCCCN1CCC[C@H]1C(=O)O 269956a_100000743916_100000740836 [0,0,0,1,0,0|2,0,0]=3 7565 B13R1.670 COCCCN1CCSC1C(=O)O 269956a_100000035718_100000740836 [0,0,0,1,0,0|3,0,0]=4 7566 B13R1.670 COCCCN1CSC[C@H]1C(=O)O 269956a_100000743924_100000740836 [0,0,0,1,0,0|3,0,0]=4 7567 B13R1.670 N#CCCCN1CCC[C@H]1C(=O)O 269956a_100000743916_100000687738 [0,0,0,1,0,0|2,0,1]=4 7568 B13R1.670 NC(=O)[C@@H]1CCCN1CCCCF 2230a_100000003125_100000729493 [0,0,0,1,0,0|3,0,0]=4 7569 B13R1.670 NC(=O)[C@@H]1CCCN1CCCCO 2230a_100000003125_100000210776 [0,0,0,1,0,0|3,0,0]=4 7570 B13R1.670 O=C(O)C1SCCN1CCCCF 269956a_100000035718_100000729493 [0,0,0,1,0,0|3,0,0]=4 7571 B13R1.670 O=C(O)C1SCCN1CCCCO 269956a_100000035718_100000210776 [0,0,0,1,0,0|3,0,0]=4 7572 B13R1.670 O=C(O)[C@@H]1CCCN1CCCCF 269956a_100000743916_100000729493 [0,0,0,1,0,0|2,0,0]=3 7573 B13R1.670 O=C(O)[C@@H]1CCCN1CCCCO 269956a_100000743916_100000210776 [0,0,0,1,0,0|2,0,0]=3 7574 B13R1.670 O=C(O)[C@@H]1CSCN1CCCCF 269956a_100000743924_100000729493 [0,0,0,1,0,0|3,0,0]=4 7575 B13R1.670 O=C(O)[C@@H]1CSCN1CCCCO 269956a_100000743924_100000210776 [0,0,0,1,0,0|3,0,0]=4 7576 B13R1.670 O=CCCCN1CCC[C@H]1C(=O)O 269956a_100000743916_200011292268 [0,0,0,1,0,0|2,0,1]=4 7577 B13R1.1022 C=C(C)CCN1CCCCCCC1 2230a_100000211400_100000730704 [0,0,0,1,0,0|3,0,0]=4 7578 B13R1.1022 C=C(C)CCN1CCCCCCC1 269982a_100000211400_100000730704 [0,0,0,1,0,0|3,0,0]=4 7579 B13R1.1022 C=C(C)CCN1CCCCCCC1 34a_100000211400_100000730704 [0,0,0,1,0,0|3,0,0]=4 7580 B13R1.1022 C=C(C)CNC1CCCCCCC1 2230a_100000211152_100000748629 [0,0,0,1,0,0|3,0,0]=4 7581 B13R1.1022 C=C(C)CNC1CCCCCCC1 34a_100000211152_100000748629 [0,0,0,1,0,0|3,0,0]=4 7582 B13R1.1022 C=C(C)COC1CCCCCCC1 34a_100000210054_100000748629 [0,0,0,1,0,0|3,0,0]=4 7583 B13R1.1022 C=C(C)COC1CCCCCCC1 7a_100000210054_100000748629 [0,0,0,1,0,0|3,0,0]=4 7584 B13R1.1022 C=C(F)CNC1CCCCCCC1 2230a_100000211152_100009893438 [0,0,0,1,0,0|3,0,0]=4 7585 B13R1.1022 C=C(F)CNC1CCCCCCC1 34a_100000211152_100009893438 [0,0,0,1,0,0|3,0,0]=4 7586 B13R1.1022 C=C(F)COC1CCCCCCC1 34a_100000210054_100009893438 [0,0,0,1,0,0|3,0,0]=4 7587 B13R1.1022 C=C(F)COC1CCCCCCC1 7a_100000210054_100000042424 [0,0,0,1,0,0|3,0,0]=4 7588 B13R1.1022 CC(=O)CCN1CCCCCCC1 1458a_200015187237_200000210301 [0,0,0,1,0,0|2,0,0]=3 7589 B13R1.1022 CC(=O)CCN1CCCCCCC1 269982a_100000211400_100000053229 [0,0,0,1,0,0|2,0,0]=3 7590 B13R1.1022 CC(=O)OCN1CCCCCCC1 269982a_100000211400_100000076356 [0,0,0,1,0,0|3,0,0]=4 7591 B13R1.1022 CC(=O)OCN1CCCCCCC1 34a_100000211400_100009813279 [0,0,0,1,0,0|3,0,0]=4 7592 B13R1.1022 CC(O)CCN1CCCCCCC1 2230a_100000211400_100012276601 [0,0,0,1,0,0|2,0,1]=4 7593 B13R1.1022 CC(O)CCN1CCCCCCC1 269982a_100000211400_100012276601 [0,0,0,1,0,0|2,0,1]=4 7594 B13R1.1022 CC(O)CCN1CCCCCCC1 34a_100000211400_100012276601 [0,0,0,1,0,0|2,0,1]=4 7595 B13R1.1022 CC(O)CNC1CCCCCCC1 2230a_100000211152_100011218427 [0,0,0,1,0,0|2,0,1]=4 7596 B13R1.1022 CC(O)CNC1CCCCCCC1 270004a_100000210904_100000210524 [0,0,0,1,0,0|2,0,1]=4 7597 B13R1.1022 CC(O)CNC1CCCCCCC1 34a_100000211152_100011218427 [0,0,0,1,0,0|2,0,1]=4 7598 B13R1.1022 CC(O)COC1CCCCCCC1 34a_100000210054_100011218427 [0,0,0,1,0,0|2,0,1]=4 7599 B13R1.1022 CC(O)COC1CCCCCCC1 7a_100000210054_100011218427 [0,0,0,1,0,0|2,0,1]=4 7600 B13R1.1022 C[C@@H](O)CNC1CCCCCCC1 2230a_100000211152_100009817552 [0,0,0,1,0,0|2,0,1]=4 7601 B13R1.1022 C[C@@H](O)CNC1CCCCCCC1 34a_100000211152_100009817552 [0,0,0,1,0,0|2,0,1]=4 7602 B13R1.1022 C[C@@H](O)COC1CCCCCCC1 34a_100000210054_100009817552 [0,0,0,1,0,0|2,0,1]=4 7603 B13R1.1022 C[C@@H](O)COC1CCCCCCC1 7a_100000210054_100009817552 [0,0,0,1,0,0|2,0,1]=4 7604 B13R1.1022 NC(=O)CCN1CCCCCCC1 2230a_100000211400_100000744528 [0,0,0,1,0,0|2,0,0]=3 7605 B13R1.1022 NC(=O)CCN1CCCCCCC1 269982a_100000211400_100000744528 [0,0,0,1,0,0|2,0,0]=3 7606 B13R1.1022 NC(=O)CCN1CCCCCCC1 34a_100000211400_100000731001 [0,0,0,1,0,0|2,0,0]=3 7607 B13R1.1022 NC(=O)CNC1CCCCCCC1 2230a_100000211152_100000747473 [0,0,0,1,0,0|2,0,0]=3 7608 B13R1.1022 NC(=O)CNC1CCCCCCC1 34a_100000211152_100000187820 [0,0,0,1,0,0|2,0,0]=3 7609 B13R1.1022 NC(=O)COC1CCCCCCC1 34a_100000210054_100000187820 [0,0,0,1,0,0|2,0,0]=3 7610 B13R1.1022 NC(=O)COC1CCCCCCC1 7a_100000210054_100000187820 [0,0,0,1,0,0|2,0,0]=3 7611 B13R1.1022 O=C(O)CNC1CC/C=C\CCC1 269956a_100016091260_100021000466 [0,0,0,1,0,0|1,0,2]=4 7612 B13R1.1022 O=C([O-])CNC1CCCCCCC1 34a_100000211152_100020667443 [0,0,0,1,0,0|1,0,1]=3 7613 B13R1.1022 O=C([O-])COC1CCCCCCC1 34a_100000210054_100020667443 [0,0,0,1,0,0|1,0,1]=3 7614 B13R1.1022 O=[N+]([O-])CNC1CCCCCCC1 34a_100000211152_100000761209 [0,0,0,1,0,0|2,0,1]=4 7615 B13R1.1022 O=[N+]([O-])COC1CCCCCCC1 34a_100000210054_100000761209 [0,0,0,1,0,0|2,0,1]=4 7616 B13R1.1022 [13CH3]C(=O)CCN1CCCCCCC1 1458a_200015187237_200025704644 [0,0,0,1,0,0|2,0,0]=3 7617 B13R1.1052 CC(=O)CCCCNCCC1CC1 34a_100000764129_100009817362 [0,0,0,1,0,0|2,0,0]=3 7618 B13R1.1052 CC(=O)CCCCOCCC1CC1 34a_100000754188_100009817362 [0,0,0,1,0,0|2,0,0]=3 7619 B13R1.1052 CC(=O)CCCCOCCC1CC1 7a_100000754188_100000735457 [0,0,0,1,0,0|2,0,0]=3 7620 B13R1.1052 CC(=O)CCCCOCC[C@@H]1CO1 34a_100009820653_100009817362 [0,0,0,1,0,0|3,0,0]=4 7621 B13R1.1052 CC(=O)CCCCSCCC1CC1 62a_100000735457_100000764125 [0,0,0,1,0,0|2,0,0]=3 7622 B13R1.1052 CC(=O)CCCCSCCC1CC1 62a_100000764125_100000735457 [0,0,0,1,0,0|2,0,0]=3 7623 B13R1.1052 CC(=O)CCCCSCCC1CO1 62a_100000732470_100000735457 [0,0,0,1,0,0|3,0,0]=4 7624 B13R1.1052 CC(=O)CCCCSCCC1CO1 62a_100000735457_100000732470 [0,0,0,1,0,0|3,0,0]=4 7625 B13R1.1052 CC(=O)CCCOCCCC1CO1 34a_100000759063_100000733510 [0,0,0,1,0,0|3,0,0]=4 7626 B13R1.1052 CC(=O)CCCOCCCC1CO1 7a_100000759063_100000733510 [0,0,0,1,0,0|3,0,0]=4 7627 B13R1.1052 CC(=O)CCCOCCNC1CC1 34a_100000738766_100000685027 [0,0,0,1,0,0|3,0,0]=4 7628 B13R1.1052 CC(=O)CCCSCCCC1CO1 62a_100000733510_100011215641 [0,0,0,1,0,0|3,0,0]=4 7629 B13R1.1052 CC(=O)CCCSCCCC1CO1 62a_100011215641_100000733510 [0,0,0,1,0,0|3,0,0]=4 7630 B13R1.1052 CC(=O)NCCCCCNC1CC1 34a_200012022750_100000211595 [0,0,0,1,0,0|3,0,0]=4 7631 B13R1.1052 CC(=O)NCCCCNCC1CC1 2230a_200011368371_100000742324 [0,0,0,1,0,0|3,0,0]=4 7632 B13R1.1052 CC(=O)NCCCCNCC1CC1 269862a_200011368371_100000741477 [0,0,0,1,0,0|3,0,0]=4 7633 B13R1.1052 CC(=O)NCCCCNCC1CC1 34a_200011368371_100000742324 [0,0,0,1,0,0|3,0,0]=4 7634 B13R1.1052 CC(=O)NCCCNCCC1CC1 34a_100000736810_100000694398 [0,0,0,1,0,0|3,0,0]=4 7635 B13R1.1052 CC(=O)NCCCOCCC1CC1 34a_100000752032_100000694398 [0,0,0,1,0,0|3,0,0]=4 7636 B13R1.1052 CC(=O)OCCCCCNC1CC1 34a_100000212008_100000033007 [0,0,0,1,0,0|3,0,0]=4 7637 B13R1.1052 CC(=O)OCCCCCSC1CC1 62a_100000033007_100000211595 [0,0,0,1,0,0|3,0,0]=4 7638 B13R1.1052 CC(=O)OCCCCNCC1CC1 34a_100000735609_100000033659 [0,0,0,1,0,0|3,0,0]=4 7639 B13R1.1052 CC(=O)OCCCCOCC1CC1 34a_100000073216_100000742324 [0,0,0,1,0,0|3,0,0]=4 7640 B13R1.1052 CC(=O)OCCCCOCC1CC1 34a_100000211283_100000033659 [0,0,0,1,0,0|3,0,0]=4 7641 B13R1.1052 CC(=O)OCCCCOCC1CC1 7a_100000073216_100000742324 [0,0,0,1,0,0|3,0,0]=4 7642 B13R1.1052 CC(=O)OCCCCSCC1CC1 62a_100000033659_100000742324 [0,0,0,1,0,0|3,0,0]=4 7643 B13R1.1052 CC(=O)OCCCCSCC1CC1 62a_100000756562_100000033659 [0,0,0,1,0,0|3,0,0]=4 7644 B13R1.1052 CC(=O)OCCCNCCC1CC1 34a_100000764129_100000042594 [0,0,0,1,0,0|3,0,0]=4 7645 B13R1.1052 CC(=O)OCCCOCCC1CC1 34a_100000754188_100000042594 [0,0,0,1,0,0|3,0,0]=4 7646 B13R1.1052 CC(=O)OCCCOCCC1CC1 7a_100000754188_100000042594 [0,0,0,1,0,0|3,0,0]=4 7647 B13R1.1052 CC(=O)OCCCSCCC1CC1 62a_100000042594_100000764125 [0,0,0,1,0,0|3,0,0]=4 7648 B13R1.1052 CC(=O)OCCCSCCC1CC1 62a_100000764125_100000042594 [0,0,0,1,0,0|3,0,0]=4 7649 B13R1.1052 CC(=O)SCCCCNCC1CC1 2230a_100000735609_200010402107 [0,0,0,1,0,0|3,0,0]=4 7650 B13R1.1052 CC(=O)SCCCCNCC1CC1 34a_100000735609_200010402107 [0,0,0,1,0,0|3,0,0]=4 7651 B13R1.1052 CC(=O)SCCCCOCC1CC1 34a_100000211283_200010402107 [0,0,0,1,0,0|3,0,0]=4 7652 B13R1.1052 CC(=O)SCCCCSCC1CC1 62a_100000756562_200010402107 [0,0,0,1,0,0|3,0,0]=4 7653 B13R1.1052 CC(=O)SCCCCSCC1CC1 62a_200010402107_100000742324 [0,0,0,1,0,0|3,0,0]=4 7654 B13R1.1052 CC(=O)SCCCNCCC1CC1 34a_100000764129_100000038929 [0,0,0,1,0,0|3,0,0]=4 7655 B13R1.1052 CC(=O)SCCCOCCC1CC1 34a_100000754188_100000038929 [0,0,0,1,0,0|3,0,0]=4 7656 B13R1.1052 CC(=O)SCCCOCCC1CC1 7a_100000754188_100000038929 [0,0,0,1,0,0|3,0,0]=4 7657 B13R1.1052 CC(=O)SCCCSCCC1CC1 62a_100000038929_100000764125 [0,0,0,1,0,0|3,0,0]=4 7658 B13R1.1052 CC(=O)SCCCSCCC1CC1 62a_100000764125_100000038929 [0,0,0,1,0,0|3,0,0]=4 7659 B13R1.1052 NC(=O)CCCCCNCC1CC1 2230a_100000735609_100009817443 [0,0,0,1,0,0|2,0,0]=3 7660 B13R1.1052 NC(=O)CCCCCNCC1CC1 34a_100000735609_100009817443 [0,0,0,1,0,0|2,0,0]=3 7661 B13R1.1052 NC(=O)CCCCCOCC1CC1 34a_100000123541_100000742324 [0,0,0,1,0,0|2,0,0]=3 7662 B13R1.1052 NC(=O)CCCCCOCC1CC1 34a_100000211283_100009817443 [0,0,0,1,0,0|2,0,0]=3 7663 B13R1.1052 NC(=O)CCCCCOCC1CC1 7a_100000123541_100000742324 [0,0,0,1,0,0|2,0,0]=3 7664 B13R1.1052 NC(=O)CCCCCOCC1CO1 34a_100000123541_102125554688 [0,0,0,1,0,0|3,0,0]=4 7665 B13R1.1052 NC(=O)CCCCCOCC1CO1 7a_100000123541_102125554688 [0,0,0,1,0,0|3,0,0]=4 7666 B13R1.1052 NC(=O)CCCCCOCC1CS1 7a_100000123541_100000031435 [0,0,0,1,0,0|3,0,0]=4 7667 B13R1.1052 NC(=O)CCCCCOC[C@@H]1CO1 34a_100000757423_100009817443 [0,0,0,1,0,0|3,0,0]=4 7668 B13R1.1052 NC(=O)CCCCCOC[C@@H]1CO1 7a_100000123541_100000745022 [0,0,0,1,0,0|3,0,0]=4 7669 B13R1.1052 NC(=O)CCCCCSCC1CC1 62a_100000756562_100009817443 [0,0,0,1,0,0|2,0,0]=3 7670 B13R1.1052 NC(=O)CCCCCSCC1CC1 62a_100009817443_100000742324 [0,0,0,1,0,0|2,0,0]=3 7671 B13R1.1052 NC(=O)CCCCCSCC1CO1 62a_100009817443_102125554688 [0,0,0,1,0,0|3,0,0]=4 7672 B13R1.1052 NC(=O)CCCCCSCC1CO1 62a_102125554688_100009817443 [0,0,0,1,0,0|3,0,0]=4 7673 B13R1.1052 NC(=O)CCCCCSCC1CS1 62a_100000031435_100009817443 [0,0,0,1,0,0|3,0,0]=4 7674 B13R1.1052 NC(=O)CCCCCSCC1CS1 62a_100009817443_100000031435 [0,0,0,1,0,0|3,0,0]=4 7675 B13R1.1052 NC(=O)CCCCCSC[C@@H]1CO1 62a_100000745022_100009817443 [0,0,0,1,0,0|3,0,0]=4 7676 B13R1.1052 NC(=O)CCCCCSC[C@@H]1CO1 62a_100009817443_100000745022 [0,0,0,1,0,0|3,0,0]=4 7677 B13R1.1052 NC(=O)CCCCNCCC1CC1 34a_100000696515_100000694398 [0,0,0,1,0,0|2,0,0]=3 7678 B13R1.1052 NC(=O)CCCCNCCC1CO1 34a_100000696515_100000732470 [0,0,0,1,0,0|3,0,0]=4 7679 B13R1.1052 NC(=O)CCCCOCCC1CC1 34a_100012022536_100000694398 [0,0,0,1,0,0|2,0,0]=3 7680 B13R1.1052 NC(=O)CCCCOCCC1CC1 7a_100012022536_100000764125 [0,0,0,1,0,0|2,0,0]=3 7681 B13R1.1052 NC(=O)CCCCOCCC1CO1 34a_100012022536_100000732470 [0,0,0,1,0,0|3,0,0]=4 7682 B13R1.1052 NC(=O)CCCCOCCC1CO1 7a_100012022536_100000732470 [0,0,0,1,0,0|3,0,0]=4 7683 B13R1.1052 NC(=O)CCCNCCCC1CO1 34a_100000739312_100000733510 [0,0,0,1,0,0|3,0,0]=4 7684 B13R1.1052 NC(=O)CCCOCCNC1CC1 34a_100000738766_100102525003 [0,0,0,1,0,0|3,0,0]=4 7685 B13R1.1052 NC(=O)CCCSCCCC1CO1 62a_100000733510_100102525003 [0,0,0,1,0,0|3,0,0]=4 7686 B13R1.1052 NC(=O)CCCSCCCC1CO1 62a_100102525003_100000733510 [0,0,0,1,0,0|3,0,0]=4 7687 B13R1.1052 NC(=O)COCCNCCC1CC1 34a_100000764129_100000076697 [0,0,0,1,0,0|3,0,0]=4 7688 B13R1.1052 NC(=O)COCCOCCC1CC1 34a_100000754188_100000076697 [0,0,0,1,0,0|3,0,0]=4 7689 B13R1.1052 NC(=O)COCCOCCC1CC1 7a_100000754188_100000076697 [0,0,0,1,0,0|3,0,0]=4 7690 B13R1.1052 NC(=O)COCCSCCC1CC1 62a_100000076697_100000764125 [0,0,0,1,0,0|3,0,0]=4 7691 B13R1.1052 NC(=O)COCCSCCC1CC1 62a_100000764125_100000076697 [0,0,0,1,0,0|3,0,0]=4 7692 B13R1.1052 O=C(O)COCCNCCC1CC1 269956a_100000700818_100000694398 [0,0,0,1,0,0|2,0,0]=3 7693 B13R1.1052 O=C(O)COCCNCCC1CO1 269956a_100000700818_100000732470 [0,0,0,1,0,0|3,0,0]=4 7694 B13R1.1052 O=C([O-])CCCCCOCC1CC1 7a_100102619762_100000742324 [0,0,0,1,0,0|1,0,1]=3 7695 B13R1.1052 O=C([O-])CCCCCOCC1CO1 7a_100102619762_102125554688 [0,0,0,1,0,0|2,0,1]=4 7696 B13R1.1052 O=C([O-])CCCCCOCC1CS1 7a_100102619762_100000031435 [0,0,0,1,0,0|2,0,1]=4 7697 B13R1.1052 O=C([O-])CCCCCOC[C@@H]1CO1 7a_100102619762_100000745022 [0,0,0,1,0,0|2,0,1]=4 7698 B13R1.1052 O=[N+]([O-])CCCCOCCC1CC1 34a_200015379883_100000694398 [0,0,0,1,0,0|2,0,1]=4 7699 B13R1.1052 O=[N+]([O-])CCCCOCCC1CC1 7a_200015379883_100000764125 [0,0,0,1,0,0|2,0,1]=4 7700 B13R1.1052 OB(O)CCCCCCNC1CC1 34a_100000212008_100009817187 [0,0,0,1,0,0|2,0,1]=4 7701 B13R1.1052 OB(O)CCCCCCSC1CC1 62a_100009817187_100000211595 [0,0,0,1,0,0|2,0,1]=4 7702 B13R1.1052 OB(O)CCCCCNCC1CC1 2230a_100000735609_200009817188 [0,0,0,1,0,0|2,0,1]=4 7703 B13R1.1052 OB(O)CCCCCNCC1CC1 34a_100000735609_200009817188 [0,0,0,1,0,0|2,0,1]=4 7704 B13R1.1052 OB(O)CCCCCOCC1CC1 34a_100000211283_200009817188 [0,0,0,1,0,0|2,0,1]=4 7705 B13R1.1052 OB(O)CCCCCSCC1CC1 62a_100000756562_200009817188 [0,0,0,1,0,0|2,0,1]=4 7706 B13R1.1052 OB(O)CCCCCSCC1CC1 62a_200009817188_100000742324 [0,0,0,1,0,0|2,0,1]=4 7707 B13R1.1052 OB(O)CCCCNCCC1CC1 34a_100000764129_200009817182 [0,0,0,1,0,0|2,0,1]=4 7708 B13R1.1052 OB(O)CCCCOCCC1CC1 34a_100000754188_200009817182 [0,0,0,1,0,0|2,0,1]=4 7709 B13R1.1052 OB(O)CCCCOCCC1CC1 7a_100000754188_200009817182 [0,0,0,1,0,0|2,0,1]=4 7710 B13R1.1052 OB(O)CCCCSCCC1CC1 62a_100000764125_200009817182 [0,0,0,1,0,0|2,0,1]=4 7711 B13R1.1052 OB(O)CCCCSCCC1CC1 62a_200009817182_100000764125 [0,0,0,1,0,0|2,0,1]=4 7712 B13R1.1107 C=C(C)CN1CCCCCCCC1 2230a_100000039187_100000748629 [0,0,0,1,0,0|3,0,0]=4 7713 B13R1.1107 C=C(C)CN1CCCCCCCC1 269982a_100000039187_100000748629 [0,0,0,1,0,0|3,0,0]=4 7714 B13R1.1107 C=C(C)CN1CCCCCCCC1 34a_100000039187_100000748629 [0,0,0,1,0,0|3,0,0]=4 7715 B13R1.1107 C=C(F)CN1CCCCCCCC1 2230a_100000039187_100009893438 [0,0,0,1,0,0|3,0,0]=4 7716 B13R1.1107 C=C(F)CN1CCCCCCCC1 269982a_100000039187_100009893438 [0,0,0,1,0,0|3,0,0]=4 7717 B13R1.1107 C=C(F)CN1CCCCCCCC1 34a_100000039187_100009893438 [0,0,0,1,0,0|3,0,0]=4 7718 B13R1.1107 CC(O)CN1CCCCCCCC1 2230a_100000039187_100011218427 [0,0,0,1,0,0|2,0,1]=4 7719 B13R1.1107 CC(O)CN1CCCCCCCC1 269982a_100000039187_100011218427 [0,0,0,1,0,0|2,0,1]=4 7720 B13R1.1107 CC(O)CN1CCCCCCCC1 34a_100000039187_100011218427 [0,0,0,1,0,0|2,0,1]=4 7721 B13R1.1107 C[C@@H](O)CN1CCCCCCCC1 2230a_100000039187_100009817552 [0,0,0,1,0,0|2,0,1]=4 7722 B13R1.1107 C[C@@H](O)CN1CCCCCCCC1 269982a_100000039187_100009817552 [0,0,0,1,0,0|2,0,1]=4 7723 B13R1.1107 C[C@@H](O)CN1CCCCCCCC1 34a_100000039187_100009817552 [0,0,0,1,0,0|2,0,1]=4 7724 B13R1.1107 NC(=O)CN1CCCCCCCC1 2230a_100000039187_100000747473 [0,0,0,1,0,0|2,0,0]=3 7725 B13R1.1107 NC(=O)CN1CCCCCCCC1 269982a_100000039187_100000187820 [0,0,0,1,0,0|2,0,0]=3 7726 B13R1.1107 NC(=O)CN1CCCCCCCC1 34a_100000039187_100000187820 [0,0,0,1,0,0|2,0,0]=3 7727 B13R1.1107 O=C([O-])CN1CCCCCCCC1 269982a_100000039187_100020667443 [0,0,0,1,0,0|1,0,1]=3 7728 B13R1.1107 O=C([O-])CN1CCCCCCCC1 34a_100000039187_100020667443 [0,0,0,1,0,0|1,0,1]=3 7729 B13R1.1107 O=[N+]([O-])CN1CCCCCCCC1 269982a_100000039187_100000761209 [0,0,0,1,0,0|2,0,1]=4 7730 B13R1.1107 O=[N+]([O-])CN1CCCCCCCC1 34a_100000039187_100000761209 [0,0,0,1,0,0|2,0,1]=4 7731 B13R1.1148 CCCCCN1CCCCC(C1)O 2230a_100025706797_100000210326 [0,0,0,1,0,0|2,0,1]=4 7732 B13R1.1148 CCCCCN1CCCCC(C1)O 269982a_100025706797_100000210215 [0,0,0,1,0,0|2,0,1]=4 7733 B13R1.1148 CCCCCN1CCCNC(=O)C1 2230a_100015190381_100000210326 [0,0,0,1,0,0|3,0,0]=4 7734 B13R1.1988 C=C(Br)CCOC1CCCCCC1 34a_100009813270_100011217769 [0,0,0,1,0,0|3,0,0]=4 7735 B13R1.1988 C=C(C)CCNC1CCCCCC1 2230a_100000210984_100000730704 [0,0,0,1,0,0|3,0,0]=4 7736 B13R1.1988 C=C(C)CCNC1CCCCCC1 34a_100000210984_100000730704 [0,0,0,1,0,0|3,0,0]=4 7737 B13R1.1988 C=C(C)CCOC1CCCCCC1 34a_100000210887_100000730704 [0,0,0,1,0,0|3,0,0]=4 7738 B13R1.1988 C=C(C)CCOC1CCCCCC1 34a_100000764851_100011217769 [0,0,0,1,0,0|3,0,0]=4 7739 B13R1.1988 C=C(C)CCOC1CCCCCC1 7a_100000210887_100000730704 [0,0,0,1,0,0|3,0,0]=4 7740 B13R1.1988 C=C(C)CCSC1CCCCCC1 62a_100000730704_100011217769 [0,0,0,1,0,0|3,0,0]=4 7741 B13R1.1988 C=C(C)CCSC1CCCCCC1 62a_100011217769_100000730704 [0,0,0,1,0,0|3,0,0]=4 7742 B13R1.1988 C=C(C)CNCC1CCCCCC1 2230a_100015204231_100000748629 [0,0,0,1,0,0|3,0,0]=4 7743 B13R1.1988 C=C(C)CNCC1CCCCCC1 34a_100015204231_100000748629 [0,0,0,1,0,0|3,0,0]=4 7744 B13R1.1988 C=C(C)COCC1CCCCCC1 34a_100000210245_200000696569 [0,0,0,1,0,0|3,0,0]=4 7745 B13R1.1988 C=C(C)COCC1CCCCCC1 34a_100000699130_100000748629 [0,0,0,1,0,0|3,0,0]=4 7746 B13R1.1988 C=C(C)COCC1CCCCCC1 7a_100000699130_100000748629 [0,0,0,1,0,0|3,0,0]=4 7747 B13R1.1988 C=C(C)CSCC1CCCCCC1 62a_100000748629_200000696569 [0,0,0,1,0,0|3,0,0]=4 7748 B13R1.1988 C=C(C)CSCC1CCCCCC1 62a_200000696569_100000211660 [0,0,0,1,0,0|3,0,0]=4 7749 B13R1.1988 C=C(F)CNCC1CCCCCC1 2230a_100015204231_100009893438 [0,0,0,1,0,0|3,0,0]=4 7750 B13R1.1988 C=C(F)CNCC1CCCCCC1 34a_100015204231_100009893438 [0,0,0,1,0,0|3,0,0]=4 7751 B13R1.1988 C=C(F)COCC1CCCCCC1 34a_100000699130_100009893438 [0,0,0,1,0,0|3,0,0]=4 7752 B13R1.1988 C=C(F)COCC1CCCCCC1 34a_200010262243_200000696569 [0,0,0,1,0,0|3,0,0]=4 7753 B13R1.1988 C=C(F)COCC1CCCCCC1 7a_100000699130_100000042424 [0,0,0,1,0,0|3,0,0]=4 7754 B13R1.1988 C=C(F)CSCC1CCCCCC1 62a_100000042424_200000696569 [0,0,0,1,0,0|3,0,0]=4 7755 B13R1.1988 C=C(F)CSCC1CCCCCC1 62a_200000696569_100000042424 [0,0,0,1,0,0|3,0,0]=4 7756 B13R1.1988 CC(=O)CCCN1CCCCCC1 269982a_100000185865_100011215641 [0,0,0,1,0,0|2,0,0]=3 7757 B13R1.1988 CC(=O)CCCN1CCCCCC1 34a_100000185865_100000685027 [0,0,0,1,0,0|2,0,0]=3 7758 B13R1.1988 CC(=O)CCCN1CCCOCC1 269982a_100000685342_100011215641 [0,0,0,1,0,0|3,0,0]=4 7759 B13R1.1988 CC(=O)CCCN1CCCOCC1 34a_100000685342_100000685027 [0,0,0,1,0,0|3,0,0]=4 7760 B13R1.1988 CC(=O)CCOC1CCCCCC1 34a_100000759926_100011217769 [0,0,0,1,0,0|2,0,0]=3 7761 B13R1.1988 CC(=O)CCOC1CCCCCC1 7a_100000210887_100000053229 [0,0,0,1,0,0|2,0,0]=3 7762 B13R1.1988 CC(=O)CCSC1CCCCCC1 62a_100000053229_100011217769 [0,0,0,1,0,0|2,0,0]=3 7763 B13R1.1988 CC(=O)CCSC1CCCCCC1 62a_100011217769_100000053229 [0,0,0,1,0,0|2,0,0]=3 7764 B13R1.1988 CC(=O)COCC1CCCCCC1 34a_100000211253_200000696569 [0,0,0,1,0,0|2,0,0]=3 7765 B13R1.1988 CC(=O)NCCC1CCCCCC1 11a_100011532351_100015343762 [0,0,0,1,0,0|2,0,0]=3 7766 B13R1.1988 CC(=O)NCCC1CCCCCC1 1626a_100011532351_100015343762 [0,0,0,1,0,0|2,0,0]=3 7767 B13R1.1988 CC(=O)NCCC1CCCCCC1 240690a_100011532351_100015343762 [0,0,0,1,0,0|2,0,0]=3 7768 B13R1.1988 CC(=O)NCCC1CCCCCC1 527a_100011532351_100103153847 [0,0,0,1,0,0|2,0,0]=3 7769 B13R1.1988 CC(=O)NCCN1CCCCCC1 11a_100000738142_100015343762 [0,0,0,1,0,0|3,0,0]=4 7770 B13R1.1988 CC(=O)NCCN1CCCCCC1 2230a_100000185865_100000189650 [0,0,0,1,0,0|3,0,0]=4 7771 B13R1.1988 CC(=O)NCCN1CCCCCC1 240690a_100000738142_100015343762 [0,0,0,1,0,0|3,0,0]=4 7772 B13R1.1988 CC(=O)NCCN1CCCCCC1 269982a_100000185865_100000189650 [0,0,0,1,0,0|3,0,0]=4 7773 B13R1.1988 CC(=O)NCCN1CCCCCC1 527a_100000738142_100103153847 [0,0,0,1,0,0|3,0,0]=4 7774 B13R1.1988 CC(=O)OCCN1CCCCCC1 269982a_100000185865_100009814007 [0,0,0,1,0,0|3,0,0]=4 7775 B13R1.1988 CC(=O)OCCN1CCCCCC1 34a_100000185865_100009814007 [0,0,0,1,0,0|3,0,0]=4 7776 B13R1.1988 CC(=O)OCNC1CCCCCC1 34a_100000210984_100009813279 [0,0,0,1,0,0|3,0,0]=4 7777 B13R1.1988 CC(=O)OCOC1CCCCCC1 34a_100000210887_100009813279 [0,0,0,1,0,0|3,0,0]=4 7778 B13R1.1988 CC(=O)OCSC1CCCCCC1 62a_100000076356_100011217769 [0,0,0,1,0,0|3,0,0]=4 7779 B13R1.1988 CC(=O)OCSC1CCCCCC1 62a_100011217769_100000076356 [0,0,0,1,0,0|3,0,0]=4 7780 B13R1.1988 CC(O)CCCN1CCCCCC1 2230a_100000185865_200000718107 [0,0,0,1,0,0|2,0,1]=4 7781 B13R1.1988 CC(O)CCCN1CCCCCC1 269982a_100000185865_200000718107 [0,0,0,1,0,0|2,0,1]=4 7782 B13R1.1988 CC(O)CCCN1CCCCCC1 34a_100000185865_200000718107 [0,0,0,1,0,0|2,0,1]=4 7783 B13R1.1988 CC(O)CCNC1CCCCCC1 2230a_100000210984_100012276601 [0,0,0,1,0,0|2,0,1]=4 7784 B13R1.1988 CC(O)CCNC1CCCCCC1 270004a_200000755665_100000210131 [0,0,0,1,0,0|2,0,1]=4 7785 B13R1.1988 CC(O)CCNC1CCCCCC1 34a_100000210984_100012276601 [0,0,0,1,0,0|2,0,1]=4 7786 B13R1.1988 CC(O)CCOC1CCCCCC1 34a_100000210887_100012276601 [0,0,0,1,0,0|2,0,1]=4 7787 B13R1.1988 CC(O)CCOC1CCCCCC1 7a_100000210887_100012276601 [0,0,0,1,0,0|2,0,1]=4 7788 B13R1.1988 CC(O)CCSC1CCCCCC1 62a_100011217769_100012276601 [0,0,0,1,0,0|2,0,1]=4 7789 B13R1.1988 CC(O)CCSC1CCCCCC1 62a_100012276601_100011217769 [0,0,0,1,0,0|2,0,1]=4 7790 B13R1.1988 CC(O)CNCC1CCCCCC1 2230a_100000210904_200000696569 [0,0,0,1,0,0|2,0,1]=4 7791 B13R1.1988 CC(O)CNCC1CCCCCC1 2230a_100015204231_100011218427 [0,0,0,1,0,0|2,0,1]=4 7792 B13R1.1988 CC(O)CNCC1CCCCCC1 269862a_100000210904_200000763224 [0,0,0,1,0,0|2,0,1]=4 7793 B13R1.1988 CC(O)CNCC1CCCCCC1 34a_100000210904_200000696569 [0,0,0,1,0,0|2,0,1]=4 7794 B13R1.1988 CC(O)CNCC1CCCCCC1 34a_100015204231_100011218427 [0,0,0,1,0,0|2,0,1]=4 7795 B13R1.1988 CC(O)COCC1CCCCCC1 34a_100000699130_100011218427 [0,0,0,1,0,0|2,0,1]=4 7796 B13R1.1988 CC(O)COCC1CCCCCC1 7a_100000699130_100011218427 [0,0,0,1,0,0|2,0,1]=4 7797 B13R1.1988 CC(O)CSCC1CCCCCC1 62a_100011218427_200000696569 [0,0,0,1,0,0|2,0,1]=4 7798 B13R1.1988 CC(O)CSCC1CCCCCC1 62a_200000696569_100011218427 [0,0,0,1,0,0|2,0,1]=4 7799 B13R1.1988 C[C@@H](O)CNCC1CCCCCC1 2230a_100015204231_100009817552 [0,0,0,1,0,0|2,0,1]=4 7800 B13R1.1988 C[C@@H](O)CNCC1CCCCCC1 34a_100015204231_100009817552 [0,0,0,1,0,0|2,0,1]=4 7801 B13R1.1988 C[C@@H](O)COCC1CCCCCC1 34a_100000699130_100009817552 [0,0,0,1,0,0|2,0,1]=4 7802 B13R1.1988 C[C@@H](O)COCC1CCCCCC1 7a_100000699130_100009817552 [0,0,0,1,0,0|2,0,1]=4 7803 B13R1.1988 C[C@@H](O)CSCC1CCCCCC1 62a_100009817552_200000696569 [0,0,0,1,0,0|2,0,1]=4 7804 B13R1.1988 C[C@@H](O)CSCC1CCCCCC1 62a_200000696569_100009817552 [0,0,0,1,0,0|2,0,1]=4 7805 B13R1.1988 NC(=O)CCCN1CCCCCC1 269982a_100000185865_100102525003 [0,0,0,1,0,0|2,0,0]=3 7806 B13R1.1988 NC(=O)CCCN1CCCCCC1 34a_100000185865_100102525003 [0,0,0,1,0,0|2,0,0]=3 7807 B13R1.1988 NC(=O)CCCN1CCCOCC1 269982a_100000685342_100102525003 [0,0,0,1,0,0|3,0,0]=4 7808 B13R1.1988 NC(=O)CCCN1CCCOCC1 34a_100000685342_100102525003 [0,0,0,1,0,0|3,0,0]=4 7809 B13R1.1988 NC(=O)CCNC1CCCCCC1 2230a_100000210984_100000744528 [0,0,0,1,0,0|2,0,0]=3 7810 B13R1.1988 NC(=O)CCNC1CCCCCC1 34a_100000210984_100000731001 [0,0,0,1,0,0|2,0,0]=3 7811 B13R1.1988 NC(=O)CCOC1CCCCCC1 34a_100000210887_100000731001 [0,0,0,1,0,0|2,0,0]=3 7812 B13R1.1988 NC(=O)CCOC1CCCCCC1 34a_100000757172_100011217769 [0,0,0,1,0,0|2,0,0]=3 7813 B13R1.1988 NC(=O)CCOC1CCCCCC1 7a_100000210887_100000744528 [0,0,0,1,0,0|2,0,0]=3 7814 B13R1.1988 NC(=O)CCSC1CCCCCC1 62a_100000744528_100011217769 [0,0,0,1,0,0|2,0,0]=3 7815 B13R1.1988 NC(=O)CCSC1CCCCCC1 62a_100011217769_100000744528 [0,0,0,1,0,0|2,0,0]=3 7816 B13R1.1988 NC(=O)CNCC1CCCCCC1 2230a_100000711301_200000696569 [0,0,0,1,0,0|2,0,0]=3 7817 B13R1.1988 NC(=O)CNCC1CCCCCC1 2230a_100015204231_100000747473 [0,0,0,1,0,0|2,0,0]=3 7818 B13R1.1988 NC(=O)CNCC1CCCCCC1 34a_100015204231_100000187820 [0,0,0,1,0,0|2,0,0]=3 7819 B13R1.1988 NC(=O)COCC1CCCCCC1 34a_100000699130_100000187820 [0,0,0,1,0,0|2,0,0]=3 7820 B13R1.1988 NC(=O)COCC1CCCCCC1 7a_100000699130_100000187820 [0,0,0,1,0,0|2,0,0]=3 7821 B13R1.1988 NC(=O)CSCC1CCCCCC1 62a_100000747473_200000696569 [0,0,0,1,0,0|2,0,0]=3 7822 B13R1.1988 NC(=O)CSCC1CCCCCC1 62a_200000696569_100000747473 [0,0,0,1,0,0|2,0,0]=3 7823 B13R1.1988 NC(=O)NCCN1CCCCCC1 2230a_100000185865_200000034859 [0,0,0,1,0,0|3,0,0]=4 7824 B13R1.1988 NC(=O)NCCN1CCCCCC1 269982a_100000185865_200000034859 [0,0,0,1,0,0|3,0,0]=4 7825 B13R1.1988 NC(=O)OCCN1CCCCCC1 269982a_100000185865_200011214921 [0,0,0,1,0,0|3,0,0]=4 7826 B13R1.1988 NC(=O)OCCN1CCCCCC1 34a_100000185865_200011214921 [0,0,0,1,0,0|3,0,0]=4 7827 B13R1.1988 O=C(O)CNCC1CCCCCC1 269956a_100016091260_200000696569 [0,0,0,1,0,0|1,0,0]=2 7828 B13R1.1988 O=C(O)CONC1CCCCCC1 269956a_100000106656_100011217769 [0,0,0,1,0,0|2,0,0]=3 7829 B13R1.1988 O=C([O-])CNCC1CCCCCC1 34a_100015204231_100020667443 [0,0,0,1,0,0|1,0,1]=3 7830 B13R1.1988 O=C([O-])COCC1CCCCCC1 34a_100000699130_100020667443 [0,0,0,1,0,0|1,0,1]=3 7831 B13R1.1988 O=C([O-])CSCC1CCCCCC1 62a_100020667443_200000696569 [0,0,0,1,0,0|1,0,1]=3 7832 B13R1.1988 O=C([O-])CSCC1CCCCCC1 62a_200000696569_100020667443 [0,0,0,1,0,0|1,0,1]=3 7833 B13R1.1988 O=[N+]([O-])CNCC1CCCCCC1 34a_100015204231_100000761209 [0,0,0,1,0,0|2,0,1]=4 7834 B13R1.1988 O=[N+]([O-])COCC1CCCCCC1 34a_100000699130_100000761209 [0,0,0,1,0,0|2,0,1]=4 7835 B13R1.1988 O=[N+]([O-])CSCC1CCCCCC1 62a_200000696569_100000761209 [0,0,0,1,0,0|2,0,1]=4 7836 B13R1.3435 C#CCCCCN1CCC1C(=O)O 269956a_100000021838_100010269958 [0,0,0,1,0,0|1,0,2]=4 7837 B13R1.3435 C=CCCCCN1CCC1C(=O)O 269956a_100000021838_100011215482 [0,0,0,1,0,0|1,0,2]=4 7838 B13R1.3435 CC/C=C\CCN1CCC1C(=O)O 269956a_100000021838_100015370543 [0,0,0,1,0,0|1,0,2]=4 7839 B13R1.3435 CCCCCCN1CCC1C(=O)O 269956a_100000021838_100000210757 [0,0,0,1,0,0|1,0,0]=2 7840 B13R1.3435 CCCCOCN1CCC1C(=O)O 269956a_100000021838_100011995733 [0,0,0,1,0,0|2,0,0]=3 7841 B13R1.3435 CCCOCCN1CCC1C(=O)O 269956a_100000021838_100011215938 [0,0,0,1,0,0|2,0,0]=3 7842 B13R1.3435 CCOCCCN1CCC1C(=O)O 269956a_100000021838_100012232248 [0,0,0,1,0,0|2,0,0]=3 7843 B13R1.3435 COCCCCN1CCC1C(=O)O 269956a_100000021838_100000730899 [0,0,0,1,0,0|2,0,0]=3 7844 B13R1.3435 COCCOCN1CCC1C(=O)O 269956a_100000021838_100000231047 [0,0,0,1,0,0|3,0,0]=4 7845 B13R1.3435 N#CCCCCN1CCC1C(=O)O 269956a_100000021838_100011219923 [0,0,0,1,0,0|2,0,1]=4 7846 B13R1.3435 O=C(O)C1CCN1CCCCCF 269956a_100000021838_100000729378 [0,0,0,1,0,0|2,0,0]=3 7847 B13R1.3435 O=C(O)C1CCN1CCCCCO 269956a_100000021838_100000746330 [0,0,0,1,0,0|2,0,0]=3 7848 B13R1.3435 O=C(O)C1CCN1CCOCCO 269956a_100000021838_100011215305 [0,0,0,1,0,0|3,0,0]=4 7849 B13R1.3435 O=CCCCCN1CCC1C(=O)O 269956a_100000021838_100000139335 [0,0,0,1,0,0|2,0,1]=4 7850 B10R0.71 C=CCCCCCCCNC 2230a_106832991635_100012355270 [2,0,0,0,0,0|1,0,1]=4 7851 B10R0.71 C=CCCCCCCCNC 34a_100102657272_100012355270 [2,0,0,0,0,0|1,0,1]=4 7852 B10R0.71 C=CCCCCCCCNC 7a_106832991635_100012355270 [2,0,0,0,0,0|1,0,1]=4 7853 B10R0.71 C=CCCCCCCCOC 34a_100000730831_200000210301 [2,0,0,0,0,0|1,0,1]=4 7854 B10R0.71 C=CCCCCCCCOC 34a_100138415774_100012355270 [2,0,0,0,0,0|1,0,1]=4 7855 B10R0.71 C=CCCCCCCCOC 7a_100000730831_200000210301 [2,0,0,0,0,0|1,0,1]=4 7856 B10R0.71 C=CCCCCCCCO[13CH3] 34a_100000730831_200025704644 [2,0,0,0,0,0|1,0,1]=4 7857 B10R0.71 C=CCCCCCCCO[13CH3] 7a_100000730831_200025704644 [2,0,0,0,0,0|1,0,1]=4 7858 B10R0.71 C=CCCCCCCCSC 62a_100012355270_200000210301 [2,0,0,0,0,0|1,0,1]=4 7859 B10R0.71 C=CCCCCCCCSC 62a_200000210301_100012355270 [2,0,0,0,0,0|1,0,1]=4 7860 B10R0.71 C=CCCCCCCCS[13CH3] 62a_100012355270_200025704644 [2,0,0,0,0,0|1,0,1]=4 7861 B10R0.71 C=CCCCCCCCS[13CH3] 62a_200025704644_100012355270 [2,0,0,0,0,0|1,0,1]=4 7862 B10R0.71 C=CCCCCCCNCC 2230a_100015525214_100011215473 [2,0,0,0,0,0|1,0,1]=4 7863 B10R0.71 C=CCCCCCCOCC 34a_100121572206_100011215473 [2,0,0,0,0,0|1,0,1]=4 7864 B10R0.71 C=CCCCCCCOCC 34a_200011216477_100000210202 [2,0,0,0,0,0|1,0,1]=4 7865 B10R0.71 C=CCCCCCCOCC 7a_200011216477_100000210202 [2,0,0,0,0,0|1,0,1]=4 7866 B10R0.71 C=CCCCCCCSCC 62a_100000210202_100011215473 [2,0,0,0,0,0|1,0,1]=4 7867 B10R0.71 C=CCCCCCCSCC 62a_100011215473_100000210202 [2,0,0,0,0,0|1,0,1]=4 7868 B10R0.71 C=CCCCCCOCCC 34a_100000210258_100000700193 [2,0,0,0,0,0|1,0,1]=4 7869 B10R0.71 C=CCCCCCOCCC 34a_100011216702_100000210303 [2,0,0,0,0,0|1,0,1]=4 7870 B10R0.71 C=CCCCCCOCCC 7a_100011216702_100000210303 [2,0,0,0,0,0|1,0,1]=4 7871 B10R0.71 C=CCCCCCSCCC 62a_100000210303_100000700193 [2,0,0,0,0,0|1,0,1]=4 7872 B10R0.71 C=CCCCCCSCCC 62a_100000700193_100000210303 [2,0,0,0,0,0|1,0,1]=4 7873 B10R0.71 C=CCCCCNCCCC 2230a_100000102301_100011215482 [2,0,0,0,0,0|1,0,1]=4 7874 B10R0.71 C=CCCCCNCCCC 2230a_100000703577_100000210211 [2,0,0,0,0,0|1,0,1]=4 7875 B10R0.71 C=CCCCCNCCCC 34a_100000703577_100000210210 [2,0,0,0,0,0|1,0,1]=4 7876 B10R0.71 C=CCCCCNCCCC 7a_106832991798_100011215482 [2,0,0,0,0,0|1,0,1]=4 7877 B10R0.71 C=CCCCCOCCCC 34a_100000210227_100011215482 [2,0,0,0,0,0|1,0,1]=4 7878 B10R0.71 C=CCCCCOCCCC 34a_100000766645_100000210210 [2,0,0,0,0,0|1,0,1]=4 7879 B10R0.71 C=CCCCCOCCCC 7a_100000210227_100011215482 [2,0,0,0,0,0|1,0,1]=4 7880 B10R0.71 C=CCCCCOCCCC 7a_100000766645_100000210211 [2,0,0,0,0,0|1,0,1]=4 7881 B10R0.71 C=CCCCCSCCCC 62a_100000210211_100011215482 [2,0,0,0,0,0|1,0,1]=4 7882 B10R0.71 C=CCCCCSCCCC 62a_100011215482_100000210210 [2,0,0,0,0,0|1,0,1]=4 7883 B10R0.71 C=CCCCNCCCCC 2230a_100000209983_100011713584 [2,0,0,0,0,0|1,0,1]=4 7884 B10R0.71 C=CCCCNCCCCC 2230a_100000700776_100000210326 [2,0,0,0,0,0|1,0,1]=4 7885 B10R0.71 C=CCCCNCCCCC 34a_100000700776_100000718602 [2,0,0,0,0,0|1,0,1]=4 7886 B10R0.71 C=CCCCOCCCCC 34a_100000210253_100000757094 [2,0,0,0,0,0|1,0,1]=4 7887 B10R0.71 C=CCCCOCCCCC 34a_100000758997_100000718602 [2,0,0,0,0,0|1,0,1]=4 7888 B10R0.71 C=CCCCOCCCCC 7a_100000210253_100000757094 [2,0,0,0,0,0|1,0,1]=4 7889 B10R0.71 C=CCCCOCCCCC 7a_100000758997_100000210326 [2,0,0,0,0,0|1,0,1]=4 7890 B10R0.71 C=CCCCSCCCCC 62a_100000210326_100000757094 [2,0,0,0,0,0|1,0,1]=4 7891 B10R0.71 C=CCCCSCCCCC 62a_100011713584_100000210326 [2,0,0,0,0,0|1,0,1]=4 7892 B10R0.71 C=CCCNCCCCCC 2230a_100000210581_100000754431 [2,0,0,0,0,0|1,0,1]=4 7893 B10R0.71 C=CCCNCCCCCC 2230a_100015191253_100000210314 [2,0,0,0,0,0|1,0,1]=4 7894 B10R0.71 C=CCCOCCCCCC 34a_100000210259_100000754431 [2,0,0,0,0,0|1,0,1]=4 7895 B10R0.71 C=CCCOCCCCCC 34a_100011205117_100000210314 [2,0,0,0,0,0|1,0,1]=4 7896 B10R0.71 C=CCCOCCCCCC 7a_100000210259_100000754431 [2,0,0,0,0,0|1,0,1]=4 7897 B10R0.71 C=CCCSCCCCCC 62a_100000210314_100000754431 [2,0,0,0,0,0|1,0,1]=4 7898 B10R0.71 C=CCCSCCCCCC 62a_100000754431_100000210757 [2,0,0,0,0,0|1,0,1]=4 7899 B10R0.71 C=CCNCCCCCCC 2230a_100000229938_100000210623 [2,0,0,0,0,0|1,0,1]=4 7900 B10R0.71 C=CCNCCCCCCC 2230a_100020586998_100000210681 [2,0,0,0,0,0|1,0,1]=4 7901 B10R0.71 C=CCOCCCCCCC 34a_100000210272_100015514636 [2,0,0,0,0,0|1,0,1]=4 7902 B10R0.71 C=CCOCCCCCCC 34a_200000210373_100000210614 [2,0,0,0,0,0|1,0,1]=4 7903 B10R0.71 C=CCOCCCCCCC 7a_100000210272_100015514636 [2,0,0,0,0,0|1,0,1]=4 7904 B10R0.71 C=CCSCCCCCCC 62a_100000210614_100000210623 [2,0,0,0,0,0|1,0,1]=4 7905 B10R0.71 C=CCSCCCCCCC 62a_100000210623_100000210316 [2,0,0,0,0,0|1,0,1]=4 7906 B10R0.71 CCCCCCCCCNC 2230a_100000212291_200000210301 [2,0,0,0,0,0|1,0,1]=4 7907 B10R0.71 CCCCCCCCCNC 2230a_106832991635_100011214924 [2,0,0,0,0,0|1,0,1]=4 7908 B10R0.71 CCCCCCCCCNC 34a_100000212291_200000210301 [2,0,0,0,0,0|1,0,1]=4 7909 B10R0.71 CCCCCCCCCNC 34a_100102657272_100011214924 [2,0,0,0,0,0|1,0,1]=4 7910 B10R0.71 CCCCCCCCCNC 7a_106832991635_100000210328 [2,0,0,0,0,0|1,0,1]=4 7911 B10R0.71 CCCCCCCCCN[13CH3] 2230a_100000212291_200025704644 [2,0,0,0,0,0|1,0,1]=4 7912 B10R0.71 CCCCCCCCCN[13CH3] 34a_100000212291_200025704644 [2,0,0,0,0,0|1,0,1]=4 7913 B10R0.71 CCCCCCCCCOC 34a_100000210712_200000210301 [2,0,0,0,0,0|1,0,1]=4 7914 B10R0.71 CCCCCCCCCOC 34a_100138415774_100011214924 [2,0,0,0,0,0|1,0,1]=4 7915 B10R0.71 CCCCCCCCCOC 7a_100000210712_200000210301 [2,0,0,0,0,0|1,0,1]=4 7916 B10R0.71 CCCCCCCCCO[13CH3] 34a_100000210712_200025704644 [2,0,0,0,0,0|1,0,1]=4 7917 B10R0.71 CCCCCCCCCO[13CH3] 7a_100000210712_200025704644 [2,0,0,0,0,0|1,0,1]=4 7918 B10R0.71 CCCCCCCCCSC 62a_200000210301_100000210670 [2,0,0,0,0,0|1,0,1]=4 7919 B10R0.71 CCCCCCCCCS[13CH3] 62a_200025704644_100000210670 [2,0,0,0,0,0|1,0,1]=4 7920 B10R0.71 CCCCCCCCNCC 2230a_100000229939_100000210202 [2,0,0,0,0,0|1,0,1]=4 7921 B10R0.71 CCCCCCCCNCC 2230a_100015525214_100000210759 [2,0,0,0,0,0|1,0,1]=4 7922 B10R0.71 CCCCCCCCNCC 34a_100000229939_100000210202 [2,0,0,0,0,0|1,0,1]=4 7923 B10R0.71 CCCCCCCCNCF 34a_100000229939_100015361967 [2,0,0,0,0,0|2,0,0]=4 7924 B10R0.71 CCCCCCCCOCC 34a_100000210232_100000210202 [2,0,0,0,0,0|1,0,1]=4 7925 B10R0.71 CCCCCCCCOCC 34a_100121572206_100000210759 [2,0,0,0,0,0|1,0,1]=4 7926 B10R0.71 CCCCCCCCOCC 7a_100000210232_100000210202 [2,0,0,0,0,0|1,0,1]=4 7927 B10R0.71 CCCCCCCCOCF 34a_100000210232_100015361967 [2,0,0,0,0,0|2,0,0]=4 7928 B10R0.71 CCCCCCCCOCF 7a_100000210232_100015361967 [2,0,0,0,0,0|2,0,0]=4 7929 B10R0.71 CCCCCCCCSCC 62a_100000210202_100000210317 [2,0,0,0,0,0|1,0,1]=4 7930 B10R0.71 CCCCCCCCSCC 62a_100000210759_100000210202 [2,0,0,0,0,0|1,0,1]=4 7931 B10R0.71 CCCCCCCCSCF 62a_100000210759_100015361967 [2,0,0,0,0,0|2,0,0]=4 7932 B10R0.71 CCCCCCCCSCF 62a_100015361967_100000210317 [2,0,0,0,0,0|2,0,0]=4 7933 B10R0.71 CCCCCCCNCC=O 2230a_100000229938_200015260668 [2,0,0,0,0,0|1,0,0]=3 7934 B10R0.71 CCCCCCCNCCC 2230a_100000229938_100000210303 [2,0,0,0,0,0|1,0,1]=4 7935 B10R0.71 CCCCCCCNCCF 2230a_100000229938_100011217306 [2,0,0,0,0,0|2,0,0]=4 7936 B10R0.71 CCCCCCCNCCF 34a_100000724931_100000210614 [2,0,0,0,0,0|2,0,0]=4 7937 B10R0.71 CCCCCCCNCCO 2230a_100000229938_100000211926 [2,0,0,0,0,0|1,0,0]=3 7938 B10R0.71 CCCCCCCNCCO 2230a_100016997473_100000210681 [2,0,0,0,0,0|1,0,0]=3 7939 B10R0.71 CCCCCCCNCCO 34a_100016990907_100000210614 [2,0,0,0,0,0|1,0,0]=3 7940 B10R0.71 CCCCCCCOCC=O 34a_100000210272_200009817547 [2,0,0,0,0,0|1,0,0]=3 7941 B10R0.71 CCCCCCCOCC=O 7a_100000210272_200015260668 [2,0,0,0,0,0|1,0,0]=3 7942 B10R0.71 CCCCCCCOCCBr 34a_100000211926_100000210614 [2,0,0,0,0,0|2,0,0]=4 7943 B10R0.71 CCCCCCCOCCC 34a_100000210258_100000210614 [2,0,0,0,0,0|1,0,1]=4 7944 B10R0.71 CCCCCCCOCCC 34a_100000210272_100000210303 [2,0,0,0,0,0|1,0,1]=4 7945 B10R0.71 CCCCCCCOCCC 7a_100000210272_100000210303 [2,0,0,0,0,0|1,0,1]=4 7946 B10R0.71 CCCCCCCOCCF 34a_100000210272_100011217306 [2,0,0,0,0,0|2,0,0]=4 7947 B10R0.71 CCCCCCCOCCF 7a_100000210272_100011217306 [2,0,0,0,0,0|2,0,0]=4 7948 B10R0.71 CCCCCCCOCCN 34a_100000210304_100000210614 [2,0,0,0,0,0|2,0,0]=4 7949 B10R0.71 CCCCCCCOCCO 34a_100000210272_100000211926 [2,0,0,0,0,0|1,0,0]=3 7950 B10R0.71 CCCCCCCOCCO 7a_100000210272_100000211926 [2,0,0,0,0,0|1,0,0]=3 7951 B10R0.71 CCCCCCCSCC=O 62a_100000210614_200015260668 [2,0,0,0,0,0|1,0,0]=3 7952 B10R0.71 CCCCCCCSCC=O 62a_200015260668_100000210316 [2,0,0,0,0,0|1,0,0]=3 7953 B10R0.71 CCCCCCCSCCC 62a_100000210303_100000210316 [2,0,0,0,0,0|1,0,1]=4 7954 B10R0.71 CCCCCCCSCCC 62a_100000210614_100000210303 [2,0,0,0,0,0|1,0,1]=4 7955 B10R0.71 CCCCCCCSCCF 62a_100000210614_100011217306 [2,0,0,0,0,0|2,0,0]=4 7956 B10R0.71 CCCCCCCSCCF 62a_100011217306_100000210316 [2,0,0,0,0,0|2,0,0]=4 7957 B10R0.71 CCCCCCCSCCO 62a_100000210614_100000211926 [2,0,0,0,0,0|1,0,0]=3 7958 B10R0.71 CCCCCCCSCCO 62a_100000211926_100000210316 [2,0,0,0,0,0|1,0,0]=3 7959 B10R0.71 CCCCCCNCCCC 2230a_100000102301_100000210314 [2,0,0,0,0,0|1,0,1]=4 7960 B10R0.71 CCCCCCNCCCC 2230a_100000210581_100000210211 [2,0,0,0,0,0|1,0,1]=4 7961 B10R0.71 CCCCCCNCCCC 7a_106832991798_100000210314 [2,0,0,0,0,0|1,0,1]=4 7962 B10R0.71 CCCCCCNCCCF 2230a_100000210581_100011934791 [2,0,0,0,0,0|2,0,0]=4 7963 B10R0.71 CCCCCCNCCCF 2230a_100015189416_100000210314 [2,0,0,0,0,0|2,0,0]=4 7964 B10R0.71 CCCCCCNCCCF 34a_100015189416_100000210314 [2,0,0,0,0,0|2,0,0]=4 7965 B10R0.71 CCCCCCNCCCO 2230a_100000210581_100000230001 [2,0,0,0,0,0|1,0,0]=3 7966 B10R0.71 CCCCCCOCCCBr 34a_100011217188_100000210314 [2,0,0,0,0,0|2,0,0]=4 7967 B10R0.71 CCCCCCOCCCC 34a_100000210227_100000210314 [2,0,0,0,0,0|1,0,1]=4 7968 B10R0.71 CCCCCCOCCCC 34a_100000210259_100000210210 [2,0,0,0,0,0|1,0,1]=4 7969 B10R0.71 CCCCCCOCCCC 7a_100000210227_100000210314 [2,0,0,0,0,0|1,0,1]=4 7970 B10R0.71 CCCCCCOCCCC 7a_100000210259_100000210211 [2,0,0,0,0,0|1,0,1]=4 7971 B10R0.71 CCCCCCOCCCCl 34a_100000230001_100000210314 [2,0,0,0,0,0|2,0,0]=4 7972 B10R0.71 CCCCCCOCCCF 34a_100000210259_100011934791 [2,0,0,0,0,0|2,0,0]=4 7973 B10R0.71 CCCCCCOCCCF 34a_100000759539_100000210314 [2,0,0,0,0,0|2,0,0]=4 7974 B10R0.71 CCCCCCOCCCF 7a_100000210259_100011934791 [2,0,0,0,0,0|2,0,0]=4 7975 B10R0.71 CCCCCCOCCCN 34a_100000182051_100000210314 [2,0,0,0,0,0|2,0,0]=4 7976 B10R0.71 CCCCCCOCCCO 34a_100000210259_100000230001 [2,0,0,0,0,0|1,0,0]=3 7977 B10R0.71 CCCCCCOCCCO 7a_100000210259_100011215043 [2,0,0,0,0,0|1,0,0]=3 7978 B10R0.71 CCCCCCSCCCC 62a_100000210211_100000210757 [2,0,0,0,0,0|1,0,1]=4 7979 B10R0.71 CCCCCCSCCCC 62a_100000210314_100000210210 [2,0,0,0,0,0|1,0,1]=4 7980 B10R0.71 CCCCCCSCCCF 62a_100000210314_100011934791 [2,0,0,0,0,0|2,0,0]=4 7981 B10R0.71 CCCCCCSCCCF 62a_100011934791_100000210757 [2,0,0,0,0,0|2,0,0]=4 7982 B10R0.71 CCCCCCSCCCO 62a_100000210314_100011215043 [2,0,0,0,0,0|1,0,0]=3 7983 B10R0.71 CCCCCCSCCCO 62a_100011215043_100000210757 [2,0,0,0,0,0|1,0,0]=3 7984 B10R0.71 CCCCCNCCCC=O 2230a_100000209983_200011292268 [2,0,0,0,0,0|1,0,0]=3 7985 B10R0.71 CCCCCNCCCCC 2230a_100000209983_100000210326 [2,0,0,0,0,0|1,0,1]=4 7986 B10R0.71 CCCCCNCCCCF 2230a_100000209983_100000729493 [2,0,0,0,0,0|2,0,0]=4 7987 B10R0.71 CCCCCNCCCCO 2230a_100000209983_100000210776 [2,0,0,0,0,0|1,0,0]=3 7988 B10R0.71 CCCCCNCCCCO 2230a_100000750430_100000210326 [2,0,0,0,0,0|1,0,0]=3 7989 B10R0.71 CCCCCNCCCCO 34a_100000750430_100000718602 [2,0,0,0,0,0|1,0,0]=3 7990 B10R0.71 CCCCCOCCCC=O 7a_100000210253_200011292268 [2,0,0,0,0,0|1,0,0]=3 7991 B10R0.71 CCCCCOCCCCBr 34a_100011216708_100000718602 [2,0,0,0,0,0|2,0,0]=4 7992 B10R0.71 CCCCCOCCCCC 34a_100000210253_100000718602 [2,0,0,0,0,0|1,0,1]=4 7993 B10R0.71 CCCCCOCCCCC 7a_100000210253_100000210326 [2,0,0,0,0,0|1,0,1]=4 7994 B10R0.71 CCCCCOCCCCCl 34a_100000210776_100000718602 [2,0,0,0,0,0|2,0,0]=4 7995 B10R0.71 CCCCCOCCCCCl 7a_100000210776_100000210326 [2,0,0,0,0,0|2,0,0]=4 7996 B10R0.71 CCCCCOCCCCF 34a_100000210253_100000729493 [2,0,0,0,0,0|2,0,0]=4 7997 B10R0.71 CCCCCOCCCCF 34a_100011995726_100000718602 [2,0,0,0,0,0|2,0,0]=4 7998 B10R0.71 CCCCCOCCCCF 7a_100000210253_100000729493 [2,0,0,0,0,0|2,0,0]=4 7999 B10R0.71 CCCCCOCCCCF 7a_100011995726_100000210326 [2,0,0,0,0,0|2,0,0]=4 8000 B10R0.71 CCCCCOCCCCI 34a_200012148704_100000718602 [2,0,0,0,0,0|2,0,0]=4 8001 B10R0.71 CCCCCOCCCCN 34a_100000750430_100000718602 [2,0,0,0,0,0|2,0,0]=4 8002 B10R0.71 CCCCCOCCCCO 34a_100000210253_100011216708 [2,0,0,0,0,0|1,0,0]=3 8003 B10R0.71 CCCCCOCCCCO 7a_100000210253_100000210776 [2,0,0,0,0,0|1,0,0]=3 8004 B10R0.71 CCCCCSCCCC=O 62a_100000210326_200011292268 [2,0,0,0,0,0|1,0,0]=3 8005 B10R0.71 CCCCCSCCCC=O 62a_200011292268_100000210326 [2,0,0,0,0,0|1,0,0]=3 8006 B10R0.71 CCCCCSCCCCC 62a_100000210326_100000210326 [2,0,0,0,0,0|1,0,1]=4 8007 B10R0.71 CCCCCSCCCCF 62a_100000210326_100000729493 [2,0,0,0,0,0|2,0,0]=4 8008 B10R0.71 CCCCCSCCCCF 62a_100000729493_100000210326 [2,0,0,0,0,0|2,0,0]=4 8009 B10R0.71 CCCCCSCCCCO 62a_100000210326_100000210776 [2,0,0,0,0,0|1,0,0]=3 8010 B10R0.71 CCCCCSCCCCO 62a_100000210776_100000210326 [2,0,0,0,0,0|1,0,0]=3 8011 B10R0.71 CCCCNCCCCC=O 2230a_100000102301_100000139335 [2,0,0,0,0,0|1,0,0]=3 8012 B10R0.71 CCCCNCCCCC=O 7a_106832991798_100000139335 [2,0,0,0,0,0|1,0,0]=3 8013 B10R0.71 CCCCNCCCCCF 2230a_100000102301_100000729378 [2,0,0,0,0,0|2,0,0]=4 8014 B10R0.71 CCCCNCCCCCF 7a_106832991798_100000729378 [2,0,0,0,0,0|2,0,0]=4 8015 B10R0.71 CCCCNCCCCCO 2230a_100000102301_100000746330 [2,0,0,0,0,0|1,0,0]=3 8016 B10R0.71 CCCCNCCCCCO 2230a_100000762737_100000210211 [2,0,0,0,0,0|1,0,0]=3 8017 B10R0.71 CCCCNCCCCCO 34a_100000762737_100000210210 [2,0,0,0,0,0|1,0,0]=3 8018 B10R0.71 CCCCNCCCCCO 7a_106832991798_100000746330 [2,0,0,0,0,0|1,0,0]=3 8019 B10R0.71 CCCCNCCOCCO 2230a_100000102301_100011215305 [2,0,0,0,0,0|2,0,0]=4 8020 B10R0.71 CCCCNCCOCCO 2230a_100000211614_100000210211 [2,0,0,0,0,0|2,0,0]=4 8021 B10R0.71 CCCCNCCOCCO 34a_100000211614_100000210210 [2,0,0,0,0,0|2,0,0]=4 8022 B10R0.71 CCCCNCCOCCO 7a_106832991798_100011215305 [2,0,0,0,0,0|2,0,0]=4 8023 B10R0.71 CCCCNCCSCCO 2230a_100011219999_100000210211 [2,0,0,0,0,0|2,0,0]=4 8024 B10R0.71 CCCCOCCCCC=O 7a_100000210227_100000139335 [2,0,0,0,0,0|1,0,0]=3 8025 B10R0.71 CCCCOCCCCCBr 34a_100000746331_100000210210 [2,0,0,0,0,0|2,0,0]=4 8026 B10R0.71 CCCCOCCCCCBr 7a_100000746331_100000210211 [2,0,0,0,0,0|2,0,0]=4 8027 B10R0.71 CCCCOCCCCCCl 34a_100000746330_100000210210 [2,0,0,0,0,0|2,0,0]=4 8028 B10R0.71 CCCCOCCCCCCl 7a_100000746330_100000210211 [2,0,0,0,0,0|2,0,0]=4 8029 B10R0.71 CCCCOCCCCCF 34a_100000210227_100000729378 [2,0,0,0,0,0|2,0,0]=4 8030 B10R0.71 CCCCOCCCCCF 7a_100000210227_100000729378 [2,0,0,0,0,0|2,0,0]=4 8031 B10R0.71 CCCCOCCCCCI 34a_200012148887_100000210210 [2,0,0,0,0,0|2,0,0]=4 8032 B10R0.71 CCCCOCCCCCI 7a_200012148887_100000210211 [2,0,0,0,0,0|2,0,0]=4 8033 B10R0.71 CCCCOCCCCCN 34a_100000762737_100000210210 [2,0,0,0,0,0|2,0,0]=4 8034 B10R0.71 CCCCOCCCCCO 34a_100000210227_100000746330 [2,0,0,0,0,0|1,0,0]=3 8035 B10R0.71 CCCCOCCCCCO 7a_100000210227_100000746330 [2,0,0,0,0,0|1,0,0]=3 8036 B10R0.71 CCCCOCCNCCO 2230a_100016997473_100000743108 [2,0,0,0,0,0|2,0,0]=4 8037 B10R0.71 CCCCOCCNCCO 34a_100016990907_100000743108 [2,0,0,0,0,0|2,0,0]=4 8038 B10R0.71 CCCCOCCOCC=O 34a_100000210238_200009817547 [2,0,0,0,0,0|2,0,0]=4 8039 B10R0.71 CCCCOCCOCC=O 7a_100000210238_200015260668 [2,0,0,0,0,0|2,0,0]=4 8040 B10R0.71 CCCCOCCOCCO 34a_100000210227_100000692535 [2,0,0,0,0,0|2,0,0]=4 8041 B10R0.71 CCCCOCCOCCO 34a_100000210238_100000211926 [2,0,0,0,0,0|2,0,0]=4 8042 B10R0.71 CCCCOCCOCCO 7a_100000210227_100011215305 [2,0,0,0,0,0|2,0,0]=4 8043 B10R0.71 CCCCOCCOCCO 7a_100000210238_100000211926 [2,0,0,0,0,0|2,0,0]=4 8044 B10R0.71 CCCCOCCSCC=O 62a_100000743108_200015260668 [2,0,0,0,0,0|2,0,0]=4 8045 B10R0.71 CCCCOCCSCC=O 62a_200015260668_100000743108 [2,0,0,0,0,0|2,0,0]=4 8046 B10R0.71 CCCCOCCSCCO 62a_100000211926_100000743108 [2,0,0,0,0,0|2,0,0]=4 8047 B10R0.71 CCCCOCCSCCO 62a_100000743108_100000211926 [2,0,0,0,0,0|2,0,0]=4 8048 B10R0.71 CCCCOCSCCCO 62a_100011215043_100011995733 [2,0,0,0,0,0|2,0,0]=4 8049 B10R0.71 CCCCOCSCCCO 62a_100011995733_100011215043 [2,0,0,0,0,0|2,0,0]=4 8050 B10R0.71 CCCCSCCCCC=O 62a_100000139335_100000210210 [2,0,0,0,0,0|1,0,0]=3 8051 B10R0.71 CCCCSCCCCC=O 62a_100000210211_100000139335 [2,0,0,0,0,0|1,0,0]=3 8052 B10R0.71 CCCCSCCCCCF 62a_100000210211_100000729378 [2,0,0,0,0,0|2,0,0]=4 8053 B10R0.71 CCCCSCCCCCF 62a_100000729378_100000210210 [2,0,0,0,0,0|2,0,0]=4 8054 B10R0.71 CCCCSCCCCCO 62a_100000210211_100000746330 [2,0,0,0,0,0|1,0,0]=3 8055 B10R0.71 CCCCSCCCCCO 62a_100000746330_100000210210 [2,0,0,0,0,0|1,0,0]=3 8056 B10R0.71 CCCCSCCNCC=O 2230a_100025743550_200015260668 [2,0,0,0,0,0|2,0,0]=4 8057 B10R0.71 CCCCSCCNCCO 2230a_100025743550_100000211926 [2,0,0,0,0,0|2,0,0]=4 8058 B10R0.71 CCCCSCCOCC=O 34a_200000230436_200009817547 [2,0,0,0,0,0|2,0,0]=4 8059 B10R0.71 CCCCSCCOCC=O 7a_200000230436_200015260668 [2,0,0,0,0,0|2,0,0]=4 8060 B10R0.71 CCCCSCCOCCO 34a_200000230436_100000211926 [2,0,0,0,0,0|2,0,0]=4 8061 B10R0.71 CCCCSCCOCCO 62a_100000210211_100011215305 [2,0,0,0,0,0|2,0,0]=4 8062 B10R0.71 CCCCSCCOCCO 62a_100011215305_100000210210 [2,0,0,0,0,0|2,0,0]=4 8063 B10R0.71 CCCCSCCOCCO 7a_200000230436_100000211926 [2,0,0,0,0,0|2,0,0]=4 8064 B10R0.71 CCCNCCCCCCO 2230a_100000686447_100000210303 [2,0,0,0,0,0|1,0,0]=3 8065 B10R0.71 CCCNCCCCCCO 34a_100000686447_100000210303 [2,0,0,0,0,0|1,0,0]=3 8066 B10R0.71 CCCOCCCCCCBr 34a_100011215345_100000210303 [2,0,0,0,0,0|2,0,0]=4 8067 B10R0.71 CCCOCCCCCCBr 7a_100011215345_100000210303 [2,0,0,0,0,0|2,0,0]=4 8068 B10R0.71 CCCOCCCCCCCl 34a_100000766143_100000210303 [2,0,0,0,0,0|2,0,0]=4 8069 B10R0.71 CCCOCCCCCCCl 7a_100000766143_100000210303 [2,0,0,0,0,0|2,0,0]=4 8070 B10R0.71 CCCOCCCCCCF 34a_100000210258_100015922095 [2,0,0,0,0,0|2,0,0]=4 8071 B10R0.71 CCCOCCCCCCF 34a_100000732779_100000210303 [2,0,0,0,0,0|2,0,0]=4 8072 B10R0.71 CCCOCCCCCCF 7a_100000732779_100000210303 [2,0,0,0,0,0|2,0,0]=4 8073 B10R0.71 CCCOCCCCCCN 34a_100000686447_100000210303 [2,0,0,0,0,0|2,0,0]=4 8074 B10R0.71 CCCOCCCCCCO 34a_100000210258_100000766143 [2,0,0,0,0,0|1,0,0]=3 8075 B10R0.71 CCCOCCCNCC=O 2230a_100011217757_200015260668 [2,0,0,0,0,0|2,0,0]=4 8076 B10R0.71 CCCOCCCNCC=O 34a_100011217757_200009817547 [2,0,0,0,0,0|2,0,0]=4 8077 B10R0.71 CCCOCCCNCCO 2230a_100011217757_100000211926 [2,0,0,0,0,0|2,0,0]=4 8078 B10R0.71 CCCOCCCNCCO 34a_100011217757_100000211926 [2,0,0,0,0,0|2,0,0]=4 8079 B10R0.71 CCCOCCNCCCO 2230a_100161115042_100000230001 [2,0,0,0,0,0|2,0,0]=4 8080 B10R0.71 CCCOCCNCCCO 34a_100161115042_100000230001 [2,0,0,0,0,0|2,0,0]=4 8081 B10R0.71 CCCOCCOCCCO 34a_100000752267_100000230001 [2,0,0,0,0,0|2,0,0]=4 8082 B10R0.71 CCCOCCOCCCO 7a_100000752267_100011215043 [2,0,0,0,0,0|2,0,0]=4 8083 B10R0.71 CCCOCCSCCCO 62a_100011215043_100011215938 [2,0,0,0,0,0|2,0,0]=4 8084 B10R0.71 CCCOCCSCCCO 62a_100011215938_100011215043 [2,0,0,0,0,0|2,0,0]=4 8085 B10R0.71 CCCSCCCCCC=O 62a_100000139337_100000210303 [2,0,0,0,0,0|1,0,0]=3 8086 B10R0.71 CCCSCCCCCC=O 62a_100000210303_100000139337 [2,0,0,0,0,0|1,0,0]=3 8087 B10R0.71 CCCSCCCCCCF 62a_100000210303_100015922095 [2,0,0,0,0,0|2,0,0]=4 8088 B10R0.71 CCCSCCCCCCF 62a_100015922095_100000210303 [2,0,0,0,0,0|2,0,0]=4 8089 B10R0.71 CCCSCCCCCCO 62a_100000210303_100000766143 [2,0,0,0,0,0|1,0,0]=3 8090 B10R0.71 CCCSCCCCCCO 62a_100000766143_100000210303 [2,0,0,0,0,0|1,0,0]=3 8091 B10R0.71 CCCSCCNCCCO 2230a_100020603323_100000230001 [2,0,0,0,0,0|2,0,0]=4 8092 B10R0.71 CCCSCCOCCCO 34a_200000230433_100000230001 [2,0,0,0,0,0|2,0,0]=4 8093 B10R0.71 CCCSCCOCCCO 7a_200000230433_100011215043 [2,0,0,0,0,0|2,0,0]=4 8094 B10R0.71 CCNCCCCCCCO 2230a_100011996573_100000210202 [2,0,0,0,0,0|1,0,0]=3 8095 B10R0.71 CCNCCCCCCCO 2230a_100015525214_100000760002 [2,0,0,0,0,0|1,0,0]=3 8096 B10R0.71 CCNCCCCCCCO 34a_100011996573_100000210202 [2,0,0,0,0,0|1,0,0]=3 8097 B10R0.71 CCNCCCOCCCO 2230a_100011310245_100000210202 [2,0,0,0,0,0|2,0,0]=4 8098 B10R0.71 CCNCCCOCCCO 34a_100011310245_100000210202 [2,0,0,0,0,0|2,0,0]=4 8099 B10R0.71 CCOCCCCCCCBr 34a_100000760002_100000210202 [2,0,0,0,0,0|2,0,0]=4 8100 B10R0.71 CCOCCCCCCCBr 7a_100000760002_100000210202 [2,0,0,0,0,0|2,0,0]=4 8101 B10R0.71 CCOCCCCCCCN 34a_100011996573_100000210202 [2,0,0,0,0,0|2,0,0]=4 8102 B10R0.71 CCOCCCCCCCO 34a_100121572206_100000760002 [2,0,0,0,0,0|1,0,0]=3 8103 B10R0.71 CCOCCCNCCCO 2230a_100000210961_100000230001 [2,0,0,0,0,0|2,0,0]=4 8104 B10R0.71 CCOCCCNCCCO 34a_100000210961_100000230001 [2,0,0,0,0,0|2,0,0]=4 8105 B10R0.71 CCOCCCOCCCO 34a_100000757476_100000230001 [2,0,0,0,0,0|2,0,0]=4 8106 B10R0.71 CCOCCCOCCCO 7a_100000757476_100011215043 [2,0,0,0,0,0|2,0,0]=4 8107 B10R0.71 CCOCCCSCCCO 62a_100011215043_100012232248 [2,0,0,0,0,0|2,0,0]=4 8108 B10R0.71 CCOCCCSCCCO 62a_100012232248_100011215043 [2,0,0,0,0,0|2,0,0]=4 8109 B10R0.71 CCOCCNCCCC=O 2230a_102516460346_200011292268 [2,0,0,0,0,0|2,0,0]=4 8110 B10R0.71 CCOCCNCCCCO 2230a_100000750430_100011215890 [2,0,0,0,0,0|2,0,0]=4 8111 B10R0.71 CCOCCNCCCCO 2230a_102516460346_100000210776 [2,0,0,0,0,0|2,0,0]=4 8112 B10R0.71 CCOCCNCCCCO 34a_100000750430_100000210147 [2,0,0,0,0,0|2,0,0]=4 8113 B10R0.71 CCOCCNCCCCO 34a_102516460346_100011216708 [2,0,0,0,0,0|2,0,0]=4 8114 B10R0.71 CCOCCOCCCC=O 7a_100000210136_200011292268 [2,0,0,0,0,0|2,0,0]=4 8115 B10R0.71 CCOCCOCCCCO 34a_100000210136_100011216708 [2,0,0,0,0,0|2,0,0]=4 8116 B10R0.71 CCOCCOCCCCO 7a_100000210136_100000210776 [2,0,0,0,0,0|2,0,0]=4 8117 B10R0.71 CCOCCSCCCC=O 62a_100000210147_200011292268 [2,0,0,0,0,0|2,0,0]=4 8118 B10R0.71 CCOCCSCCCC=O 62a_200011292268_100011215890 [2,0,0,0,0,0|2,0,0]=4 8119 B10R0.71 CCOCCSCCCCO 62a_100000210147_100000210776 [2,0,0,0,0,0|2,0,0]=4 8120 B10R0.71 CCOCCSCCCCO 62a_100000210776_100011215890 [2,0,0,0,0,0|2,0,0]=4 8121 B10R0.71 CCOCSCCCCC=O 62a_100000139335_100000739092 [2,0,0,0,0,0|2,0,0]=4 8122 B10R0.71 CCOCSCCCCC=O 62a_100000739092_100000139335 [2,0,0,0,0,0|2,0,0]=4 8123 B10R0.71 CCOCSCCCCCO 62a_100000739092_100000746330 [2,0,0,0,0,0|2,0,0]=4 8124 B10R0.71 CCOCSCCCCCO 62a_100000746330_100000739092 [2,0,0,0,0,0|2,0,0]=4 8125 B10R0.71 CCSCCCCCCCO 62a_100000210202_100000760002 [2,0,0,0,0,0|1,0,0]=3 8126 B10R0.71 CCSCCCCCCCO 62a_100000760002_100000210202 [2,0,0,0,0,0|1,0,0]=3 8127 B10R0.71 CCSCCCOCCCO 34a_100011216438_100000230001 [2,0,0,0,0,0|2,0,0]=4 8128 B10R0.71 CCSCCCOCCCO 7a_100011216438_100011215043 [2,0,0,0,0,0|2,0,0]=4 8129 B10R0.71 CCSCCNCCCC=O 2230a_100000106463_200011292268 [2,0,0,0,0,0|2,0,0]=4 8130 B10R0.71 CCSCCNCCCCO 2230a_100000106463_100000210776 [2,0,0,0,0,0|2,0,0]=4 8131 B10R0.71 CCSCCNCCCCO 2230a_100000750430_100000757381 [2,0,0,0,0,0|2,0,0]=4 8132 B10R0.71 CCSCCNCCCCO 34a_100000750430_100000757381 [2,0,0,0,0,0|2,0,0]=4 8133 B10R0.71 CCSCCOCCCC=O 7a_100000212035_200011292268 [2,0,0,0,0,0|2,0,0]=4 8134 B10R0.71 CCSCCOCCCCO 34a_100000212035_100011216708 [2,0,0,0,0,0|2,0,0]=4 8135 B10R0.71 CCSCCOCCCCO 7a_100000212035_100000210776 [2,0,0,0,0,0|2,0,0]=4 8136 B10R0.71 CCSCCSCCCC=O 62a_100000757381_200011292268 [2,0,0,0,0,0|2,0,0]=4 8137 B10R0.71 CCSCCSCCCC=O 62a_200011292268_100000757381 [2,0,0,0,0,0|2,0,0]=4 8138 B10R0.71 CCSCCSCCCCO 62a_100000210776_100000757381 [2,0,0,0,0,0|2,0,0]=4 8139 B10R0.71 CCSCCSCCCCO 62a_100000757381_100000210776 [2,0,0,0,0,0|2,0,0]=4 8140 B10R0.71 CNCCCCCCCCO 2230a_102515433106_200000210301 [2,0,0,0,0,0|1,0,0]=3 8141 B10R0.71 CNCCCCCCCCO 2230a_106832991635_100000033203 [2,0,0,0,0,0|1,0,0]=3 8142 B10R0.71 CNCCCCCCCCO 34a_100102657272_100000033203 [2,0,0,0,0,0|1,0,0]=3 8143 B10R0.71 CNCCCCCCCCO 34a_102515433106_200000210301 [2,0,0,0,0,0|1,0,0]=3 8144 B10R0.71 CNCCCCCCCCO 7a_106832991635_100000033203 [2,0,0,0,0,0|1,0,0]=3 8145 B10R0.71 CNCCCCCOCC=O 34a_100000722520_200009817547 [2,0,0,0,0,0|2,0,0]=4 8146 B10R0.71 CNCCCCCOCCO 34a_100000722520_100000211926 [2,0,0,0,0,0|2,0,0]=4 8147 B10R0.71 CNCCCOCCCCO 34a_100000213112_100011216708 [2,0,0,0,0,0|2,0,0]=4 8148 B10R0.71 COCCCCCCCCBr 34a_100009813846_200000210301 [2,0,0,0,0,0|2,0,0]=4 8149 B10R0.71 COCCCCCCCCBr 7a_100009813846_200000210301 [2,0,0,0,0,0|2,0,0]=4 8150 B10R0.71 COCCCCCCCCCl 34a_100000033203_200000210301 [2,0,0,0,0,0|2,0,0]=4 8151 B10R0.71 COCCCCCCCCCl 7a_100000033203_200000210301 [2,0,0,0,0,0|2,0,0]=4 8152 B10R0.71 COCCCCCCCCN 34a_102515433106_200000210301 [2,0,0,0,0,0|2,0,0]=4 8153 B10R0.71 COCCCCCCCCO 34a_100138415774_100000033203 [2,0,0,0,0,0|1,0,0]=3 8154 B10R0.71 COCCCCCNCC=O 2230a_100000747528_200015260668 [2,0,0,0,0,0|2,0,0]=4 8155 B10R0.71 COCCCCCNCC=O 34a_100000747528_200009817547 [2,0,0,0,0,0|2,0,0]=4 8156 B10R0.71 COCCCCCNCCO 2230a_100000747528_100000211926 [2,0,0,0,0,0|2,0,0]=4 8157 B10R0.71 COCCCCCNCCO 34a_100000747528_100000211926 [2,0,0,0,0,0|2,0,0]=4 8158 B10R0.71 COCCCCOCCCO 34a_100000740925_100000230001 [2,0,0,0,0,0|2,0,0]=4 8159 B10R0.71 COCCCCSCCCO 62a_100000730899_100011215043 [2,0,0,0,0,0|2,0,0]=4 8160 B10R0.71 COCCCCSCCCO 62a_100011215043_100000730899 [2,0,0,0,0,0|2,0,0]=4 8161 B10R0.71 COCCCNCCCCO 2230a_100000750430_100000740836 [2,0,0,0,0,0|2,0,0]=4 8162 B10R0.71 COCCCNCCCCO 34a_100000750430_100000740836 [2,0,0,0,0,0|2,0,0]=4 8163 B10R0.71 COCCCNCCCCO 34a_100150723488_100011216708 [2,0,0,0,0,0|2,0,0]=4 8164 B10R0.71 COCCCOCCCCO 34a_100000740835_100011216708 [2,0,0,0,0,0|2,0,0]=4 8165 B10R0.71 COCCCSCCCC=O 62a_100000709357_200011292268 [2,0,0,0,0,0|2,0,0]=4 8166 B10R0.71 COCCCSCCCC=O 62a_200011292268_100000709357 [2,0,0,0,0,0|2,0,0]=4 8167 B10R0.71 COCCCSCCCCO 62a_100000210776_100000709357 [2,0,0,0,0,0|2,0,0]=4 8168 B10R0.71 COCCCSCCCCO 62a_100000709357_100000210776 [2,0,0,0,0,0|2,0,0]=4 8169 B10R0.71 COCCNCCCCC=O 2230a_100000209980_100000139335 [2,0,0,0,0,0|2,0,0]=4 8170 B10R0.71 COCCNCCCCCO 2230a_100000209980_100000746330 [2,0,0,0,0,0|2,0,0]=4 8171 B10R0.71 COCCNCCCCCO 2230a_100000762737_100011201679 [2,0,0,0,0,0|2,0,0]=4 8172 B10R0.71 COCCNCCCCCO 34a_100000762737_100011201679 [2,0,0,0,0,0|2,0,0]=4 8173 B10R0.71 COCCOCCCCCO 34a_100000210237_100000746330 [2,0,0,0,0,0|2,0,0]=4 8174 B10R0.71 COCCSCCCCC=O 62a_100000139335_100000233755 [2,0,0,0,0,0|2,0,0]=4 8175 B10R0.71 COCCSCCCCC=O 62a_100000233755_100000139335 [2,0,0,0,0,0|2,0,0]=4 8176 B10R0.71 COCCSCCCCCO 62a_100000233755_100000746330 [2,0,0,0,0,0|2,0,0]=4 8177 B10R0.71 COCCSCCCCCO 62a_100000746330_100000233755 [2,0,0,0,0,0|2,0,0]=4 8178 B10R0.71 COCNCCCCCCO 2230a_100000686447_100000766300 [2,0,0,0,0,0|2,0,0]=4 8179 B10R0.71 COCSCCCCCC=O 62a_100000139337_100000766300 [2,0,0,0,0,0|2,0,0]=4 8180 B10R0.71 COCSCCCCCC=O 62a_100000766300_100000139337 [2,0,0,0,0,0|2,0,0]=4 8181 B10R0.71 COCSCCCCCCO 62a_100000766143_100000766300 [2,0,0,0,0,0|2,0,0]=4 8182 B10R0.71 COCSCCCCCCO 62a_100000766300_100000766143 [2,0,0,0,0,0|2,0,0]=4 8183 B10R0.71 CSCCCCCCCCO 62a_100000033203_200000210301 [2,0,0,0,0,0|1,0,0]=3 8184 B10R0.71 CSCCCCCCCCO 62a_200000210301_100000033203 [2,0,0,0,0,0|1,0,0]=3 8185 B10R0.71 CSCCCCOCCCO 34a_100011217163_100000230001 [2,0,0,0,0,0|2,0,0]=4 8186 B10R0.71 CSCCCCOCCCO 7a_100011217163_100011215043 [2,0,0,0,0,0|2,0,0]=4 8187 B10R0.71 CSCCCNCCCC=O 2230a_100000749238_200011292268 [2,0,0,0,0,0|2,0,0]=4 8188 B10R0.71 CSCCCNCCCCO 2230a_100000749238_100000210776 [2,0,0,0,0,0|2,0,0]=4 8189 B10R0.71 CSCCCOCCCC=O 7a_100000690336_200011292268 [2,0,0,0,0,0|2,0,0]=4 8190 B10R0.71 CSCCCOCCCCO 34a_100000690336_100011216708 [2,0,0,0,0,0|2,0,0]=4 8191 B10R0.71 CSCCCOCCCCO 7a_100000690336_100000210776 [2,0,0,0,0,0|2,0,0]=4 8192 B10R0.71 CSCCNCCCCC=O 2230a_100020590264_100000139335 [2,0,0,0,0,0|2,0,0]=4 8193 B10R0.71 CSCCNCCCCCO 2230a_100000762737_100000751147 [2,0,0,0,0,0|2,0,0]=4 8194 B10R0.71 CSCCNCCCCCO 2230a_100020590264_100000746330 [2,0,0,0,0,0|2,0,0]=4 8195 B10R0.71 CSCCNCCCCCO 34a_100000762737_100000212216 [2,0,0,0,0,0|2,0,0]=4 8196 B10R0.71 CSCCOCCCCC=O 7a_100000230434_100000139335 [2,0,0,0,0,0|2,0,0]=4 8197 B10R0.71 CSCCOCCCCCO 34a_100000230434_100000746330 [2,0,0,0,0,0|2,0,0]=4 8198 B10R0.71 CSCCOCCCCCO 7a_100000230434_100000746330 [2,0,0,0,0,0|2,0,0]=4 8199 B10R0.71 CSCCSCCCCC=O 62a_100000139335_100000751147 [2,0,0,0,0,0|2,0,0]=4 8200 B10R0.71 CSCCSCCCCC=O 62a_100000212216_100000139335 [2,0,0,0,0,0|2,0,0]=4 8201 B10R0.71 CSCCSCCCCCO 62a_100000212216_100000746330 [2,0,0,0,0,0|2,0,0]=4 8202 B10R0.71 CSCCSCCCCCO 62a_100000746330_100000751147 [2,0,0,0,0,0|2,0,0]=4 8203 B10R0.71 CSCNCCCCCCO 2230a_100000686447_100011218213 [2,0,0,0,0,0|2,0,0]=4 8204 B10R0.71 CSCNCCCCCCO 34a_100000686447_100011218213 [2,0,0,0,0,0|2,0,0]=4 8205 B10R0.71 CSCSCCCCCC=O 62a_100000139337_100011218213 [2,0,0,0,0,0|2,0,0]=4 8206 B10R0.71 CSCSCCCCCC=O 62a_100011218213_100000139337 [2,0,0,0,0,0|2,0,0]=4 8207 B10R0.71 CSCSCCCCCCO 62a_100000766143_100011218213 [2,0,0,0,0,0|2,0,0]=4 8208 B10R0.71 CSCSCCCCCCO 62a_100011218213_100000766143 [2,0,0,0,0,0|2,0,0]=4 8209 B10R0.71 NCCCCCCOCC=O 34a_100000686447_200009817547 [2,0,0,0,0,0|2,0,0]=4 8210 B10R0.71 NCCCCCCOCCO 34a_100000686447_100000211926 [2,0,0,0,0,0|2,0,0]=4 8211 B10R0.71 NCCCCCOCCCO 34a_100000762737_100000230001 [2,0,0,0,0,0|2,0,0]=4 8212 B10R0.71 NCCCCOCCCCO 34a_100000750430_100011216708 [2,0,0,0,0,0|2,0,0]=4 8213 B10R0.71 NCCCOCCCCCO 34a_100000182051_100000746330 [2,0,0,0,0,0|2,0,0]=4 8214 B10R0.71 NCCOCCCCCCO 34a_100000210304_100000766143 [2,0,0,0,0,0|2,0,0]=4 8215 B10R0.71 O=CCCCCCNCCO 2230a_100016997473_100000139337 [2,0,0,0,0,0|2,0,0]=4 8216 B10R0.71 O=CCCCCCSCCF 62a_100000139337_100011217306 [2,0,0,0,0,0|2,0,0]=4 8217 B10R0.71 O=CCCCCCSCCF 62a_100011217306_100000139337 [2,0,0,0,0,0|2,0,0]=4 8218 B10R0.71 O=CCCCCCSCCO 62a_100000139337_100000211926 [2,0,0,0,0,0|2,0,0]=4 8219 B10R0.71 O=CCCCCCSCCO 62a_100000211926_100000139337 [2,0,0,0,0,0|2,0,0]=4 8220 B10R0.71 O=CCCCCNCCCF 2230a_100015189416_100000139335 [2,0,0,0,0,0|2,0,0]=4 8221 B10R0.71 O=CCCCCSCCCF 62a_100000139335_100011934791 [2,0,0,0,0,0|2,0,0]=4 8222 B10R0.71 O=CCCCCSCCCF 62a_100011934791_100000139335 [2,0,0,0,0,0|2,0,0]=4 8223 B10R0.71 O=CCCCCSCCCO 62a_100000139335_100011215043 [2,0,0,0,0,0|2,0,0]=4 8224 B10R0.71 O=CCCCCSCCCO 62a_100011215043_100000139335 [2,0,0,0,0,0|2,0,0]=4 8225 B10R0.71 O=CCCCNCCCCO 2230a_100000750430_200011292268 [2,0,0,0,0,0|2,0,0]=4 8226 B10R0.71 O=CCCCOCCCCCl 7a_100000210776_200011292268 [2,0,0,0,0,0|2,0,0]=4 8227 B10R0.71 O=CCCCOCCCCF 7a_100011995726_200011292268 [2,0,0,0,0,0|2,0,0]=4 8228 B10R0.71 O=CCCCSCCCCF 62a_100000729493_200011292268 [2,0,0,0,0,0|2,0,0]=4 8229 B10R0.71 O=CCCCSCCCCF 62a_200011292268_100000729493 [2,0,0,0,0,0|2,0,0]=4 8230 B10R0.71 O=CCCCSCCCCO 62a_100000210776_200011292268 [2,0,0,0,0,0|2,0,0]=4 8231 B10R0.71 O=CCCCSCCCCO 62a_200011292268_100000210776 [2,0,0,0,0,0|2,0,0]=4 8232 B10R0.71 O=CCNCCCCCCO 2230a_100000686447_200015260668 [2,0,0,0,0,0|2,0,0]=4 8233 B10R0.71 O=CCNCCCCCCO 34a_100000686447_200009817547 [2,0,0,0,0,0|2,0,0]=4 8234 B10R0.71 O=CCOCCCCCCBr 34a_100011215345_200009817547 [2,0,0,0,0,0|2,0,0]=4 8235 B10R0.71 O=CCOCCCCCCBr 7a_100011215345_200015260668 [2,0,0,0,0,0|2,0,0]=4 8236 B10R0.71 O=CCOCCCCCCCl 34a_100000766143_200009817547 [2,0,0,0,0,0|2,0,0]=4 8237 B10R0.71 O=CCOCCCCCCCl 7a_100000766143_200015260668 [2,0,0,0,0,0|2,0,0]=4 8238 B10R0.71 O=CCOCCCCCCF 34a_100000732779_200009817547 [2,0,0,0,0,0|2,0,0]=4 8239 B10R0.71 O=CCOCCCCCCF 7a_100000732779_200015260668 [2,0,0,0,0,0|2,0,0]=4 8240 B10R0.71 O=CCSCCCCCCF 62a_100015922095_200015260668 [2,0,0,0,0,0|2,0,0]=4 8241 B10R0.71 O=CCSCCCCCCF 62a_200015260668_100015922095 [2,0,0,0,0,0|2,0,0]=4 8242 B10R0.71 O=CCSCCCCCCO 62a_100000766143_200015260668 [2,0,0,0,0,0|2,0,0]=4 8243 B10R0.71 O=CCSCCCCCCO 62a_200015260668_100000766143 [2,0,0,0,0,0|2,0,0]=4 8244 B10R0.71 OCCCCCCCNCF 34a_100011996573_100015361967 [2,0,0,0,0,0|2,0,0]=4 8245 B10R0.71 OCCCCCCCSCF 62a_100000760002_100015361967 [2,0,0,0,0,0|2,0,0]=4 8246 B10R0.71 OCCCCCCCSCF 62a_100015361967_100000760002 [2,0,0,0,0,0|2,0,0]=4 8247 B10R0.71 OCCCCCCNCCF 2230a_100000686447_100011217306 [2,0,0,0,0,0|2,0,0]=4 8248 B10R0.71 OCCCCCCNCCF 34a_100000686447_100011217306 [2,0,0,0,0,0|2,0,0]=4 8249 B10R0.71 OCCCCCCNCCF 34a_100000724931_100000766143 [2,0,0,0,0,0|2,0,0]=4 8250 B10R0.71 OCCCCCCNCCO 2230a_100000686447_100000211926 [2,0,0,0,0,0|2,0,0]=4 8251 B10R0.71 OCCCCCCNCCO 2230a_100016997473_100000766143 [2,0,0,0,0,0|2,0,0]=4 8252 B10R0.71 OCCCCCCNCCO 34a_100000686447_100000211926 [2,0,0,0,0,0|2,0,0]=4 8253 B10R0.71 OCCCCCCNCCO 34a_100016990907_100000766143 [2,0,0,0,0,0|2,0,0]=4 8254 B10R0.71 OCCCCCCOCCBr 34a_100000211926_100000766143 [2,0,0,0,0,0|2,0,0]=4 8255 B10R0.71 OCCCCCCSCCF 62a_100000766143_100011217306 [2,0,0,0,0,0|2,0,0]=4 8256 B10R0.71 OCCCCCCSCCF 62a_100011217306_100000766143 [2,0,0,0,0,0|2,0,0]=4 8257 B10R0.71 OCCCCCCSCCO 62a_100000211926_100000766143 [2,0,0,0,0,0|2,0,0]=4 8258 B10R0.71 OCCCCCCSCCO 62a_100000766143_100000211926 [2,0,0,0,0,0|2,0,0]=4 8259 B10R0.71 OCCCCCNCCCF 2230a_100000762737_100011934791 [2,0,0,0,0,0|2,0,0]=4 8260 B10R0.71 OCCCCCNCCCF 2230a_100015189416_100000746330 [2,0,0,0,0,0|2,0,0]=4 8261 B10R0.71 OCCCCCNCCCF 34a_100000762737_100011934791 [2,0,0,0,0,0|2,0,0]=4 8262 B10R0.71 OCCCCCNCCCF 34a_100015189416_100000746330 [2,0,0,0,0,0|2,0,0]=4 8263 B10R0.71 OCCCCCNCCCO 2230a_100000762737_100000230001 [2,0,0,0,0,0|2,0,0]=4 8264 B10R0.71 OCCCCCNCCCO 34a_100000762737_100000230001 [2,0,0,0,0,0|2,0,0]=4 8265 B10R0.71 OCCCCCOCCCBr 34a_100011217188_100000746330 [2,0,0,0,0,0|2,0,0]=4 8266 B10R0.71 OCCCCCOCCCCl 34a_100000230001_100000746330 [2,0,0,0,0,0|2,0,0]=4 8267 B10R0.71 OCCCCCOCCCF 34a_100000759539_100000746330 [2,0,0,0,0,0|2,0,0]=4 8268 B10R0.71 OCCCCCSCCCF 62a_100000746330_100011934791 [2,0,0,0,0,0|2,0,0]=4 8269 B10R0.71 OCCCCCSCCCF 62a_100011934791_100000746330 [2,0,0,0,0,0|2,0,0]=4 8270 B10R0.71 OCCCCCSCCCO 62a_100000746330_100011215043 [2,0,0,0,0,0|2,0,0]=4 8271 B10R0.71 OCCCCCSCCCO 62a_100011215043_100000746330 [2,0,0,0,0,0|2,0,0]=4 8272 B10R0.71 OCCCCNCCCCF 2230a_100000750430_100000729493 [2,0,0,0,0,0|2,0,0]=4 8273 B10R0.71 OCCCCNCCCCF 34a_100000750430_100000729493 [2,0,0,0,0,0|2,0,0]=4 8274 B10R0.71 OCCCCNCCCCO 2230a_100000750430_100000210776 [2,0,0,0,0,0|2,0,0]=4 8275 B10R0.71 OCCCCNCCCCO 34a_100000750430_100011216708 [2,0,0,0,0,0|2,0,0]=4 8276 B10R0.71 OCCCCOCCCCBr 34a_100011216708_100011216708 [2,0,0,0,0,0|2,0,0]=4 8277 B10R0.71 OCCCCOCCCCCl 34a_100000210776_100011216708 [2,0,0,0,0,0|2,0,0]=4 8278 B10R0.71 OCCCCOCCCCCl 7a_100000210776_100000210776 [2,0,0,0,0,0|2,0,0]=4 8279 B10R0.71 OCCCCOCCCCF 34a_100011995726_100011216708 [2,0,0,0,0,0|2,0,0]=4 8280 B10R0.71 OCCCCOCCCCF 7a_100011995726_100000210776 [2,0,0,0,0,0|2,0,0]=4 8281 B10R0.71 OCCCCOCCCCI 34a_200012148704_100011216708 [2,0,0,0,0,0|2,0,0]=4 8282 B10R0.71 OCCCCSCCCCF 62a_100000210776_100000729493 [2,0,0,0,0,0|2,0,0]=4 8283 B10R0.71 OCCCCSCCCCF 62a_100000729493_100000210776 [2,0,0,0,0,0|2,0,0]=4 8284 B10R0.71 OCCCCSCCCCO 62a_100000210776_100000210776 [2,0,0,0,0,0|2,0,0]=4 8285 B10R0.71 OCCCOCCCCCBr 34a_100000746331_100000230001 [2,0,0,0,0,0|2,0,0]=4 8286 B10R0.71 OCCCOCCCCCBr 7a_100000746331_100011215043 [2,0,0,0,0,0|2,0,0]=4 8287 B10R0.71 OCCCOCCCCCCl 34a_100000746330_100000230001 [2,0,0,0,0,0|2,0,0]=4 8288 B10R0.71 OCCCOCCCCCCl 7a_100000746330_100011215043 [2,0,0,0,0,0|2,0,0]=4 8289 B10R0.71 OCCCOCCCCCI 34a_200012148887_100000230001 [2,0,0,0,0,0|2,0,0]=4 8290 B10R0.71 OCCCOCCCCCI 7a_200012148887_100011215043 [2,0,0,0,0,0|2,0,0]=4 8291 B10R0.71 OCCCSCCCCCF 62a_100000729378_100011215043 [2,0,0,0,0,0|2,0,0]=4 8292 B10R0.71 OCCCSCCCCCF 62a_100011215043_100000729378 [2,0,0,0,0,0|2,0,0]=4 8293 B10R0.71 OCCNCCCCCCF 2230a_100016997473_100015922095 [2,0,0,0,0,0|2,0,0]=4 8294 B10R0.71 OCCNCCCCCCF 34a_100016990907_100015922095 [2,0,0,0,0,0|2,0,0]=4 8295 B10R0.71 OCCOCCCCCCBr 34a_100011215345_100000211926 [2,0,0,0,0,0|2,0,0]=4 8296 B10R0.71 OCCOCCCCCCBr 7a_100011215345_100000211926 [2,0,0,0,0,0|2,0,0]=4 8297 B10R0.71 OCCOCCCCCCCl 34a_100000766143_100000211926 [2,0,0,0,0,0|2,0,0]=4 8298 B10R0.71 OCCOCCCCCCCl 7a_100000766143_100000211926 [2,0,0,0,0,0|2,0,0]=4 8299 B10R0.71 OCCOCCCCCCF 34a_100000732779_100000211926 [2,0,0,0,0,0|2,0,0]=4 8300 B10R0.71 OCCOCCCCCCF 7a_100000732779_100000211926 [2,0,0,0,0,0|2,0,0]=4 8301 B10R0.71 OCCSCCCCCCF 62a_100000211926_100015922095 [2,0,0,0,0,0|2,0,0]=4 8302 B10R0.71 OCCSCCCCCCF 62a_100015922095_100000211926 [2,0,0,0,0,0|2,0,0]=4 8303 B10R0.71 [13CH3]NCCCCCCCCO 2230a_102515433106_200025704644 [2,0,0,0,0,0|1,0,0]=3 8304 B10R0.71 [13CH3]NCCCCCCCCO 34a_102515433106_200025704644 [2,0,0,0,0,0|1,0,0]=3 8305 B10R0.71 [13CH3]OCCCCCCCCBr 34a_100009813846_200025704644 [2,0,0,0,0,0|2,0,0]=4 8306 B10R0.71 [13CH3]OCCCCCCCCBr 7a_100009813846_200025704644 [2,0,0,0,0,0|2,0,0]=4 8307 B10R0.71 [13CH3]OCCCCCCCCCl 34a_100000033203_200025704644 [2,0,0,0,0,0|2,0,0]=4 8308 B10R0.71 [13CH3]OCCCCCCCCCl 7a_100000033203_200025704644 [2,0,0,0,0,0|2,0,0]=4 8309 B10R0.71 [13CH3]OCCCCCCCCN 34a_102515433106_200025704644 [2,0,0,0,0,0|2,0,0]=4 8310 B10R0.71 [13CH3]SCCCCCCCCO 62a_100000033203_200025704644 [2,0,0,0,0,0|1,0,0]=3 8311 B10R0.71 [13CH3]SCCCCCCCCO 62a_200025704644_100000033203 [2,0,0,0,0,0|1,0,0]=3 8312 B10R0.4 CC(=O)CCCCCCCO 1458a_100000070787_100000760002 [2,0,0,0,0,0|2,0,0]=4 8313 B10R0.4 CC(=O)CCCCCCCO 1458a_100011219782_200000210301 [2,0,0,0,0,0|2,0,0]=4 8314 B10R0.4 CCCCCCCCC(=O)C 1458a_100000070787_100000210759 [2,0,0,0,0,0|1,0,0]=3 8315 B10R0.4 CCCCCCCCC(=O)C 1458a_100000210188_200000210301 [2,0,0,0,0,0|1,0,0]=3 8316 B10R0.4 CCCCCCCCC(=O)[13CH3] 1458a_100000210188_200025704644 [2,0,0,0,0,0|1,0,0]=3 8317 B10R0.4 CCCCCCCNC(=O)C 11a_100000229938_100015343762 [2,0,0,0,0,0|2,0,0]=4 8318 B10R0.4 CCCCCCCNC(=O)C 1626a_100000229938_100015343762 [2,0,0,0,0,0|2,0,0]=4 8319 B10R0.4 CCCCCCCNC(=O)C 240690a_100000229938_100015343762 [2,0,0,0,0,0|2,0,0]=4 8320 B10R0.4 CCCCCCCNC(=O)C 527a_100000229938_100103153847 [2,0,0,0,0,0|2,0,0]=4 8321 B10R0.4 CCCCCCNCC(=O)N 2230a_100000210581_100000747473 [2,0,0,0,0,0|2,0,0]=4 8322 B10R0.4 CCCCCCNCC(=O)N 2230a_100000711301_100000210314 [2,0,0,0,0,0|2,0,0]=4 8323 B10R0.4 CCCCCCNCC(=O)O 269956a_100016091260_100000210757 [2,0,0,0,0,0|1,0,0]=3 8324 B10R0.4 CCCCCCOCC(=O)C 34a_100000211253_100000210314 [2,0,0,0,0,0|2,0,0]=4 8325 B10R0.4 CCCCCCOCC(=O)N 34a_100000210259_100000187820 [2,0,0,0,0,0|2,0,0]=4 8326 B10R0.4 CCCCCCOCC(=O)N 7a_100000210259_100000187820 [2,0,0,0,0,0|2,0,0]=4 8327 B10R0.4 CCCCCCOCC(=O)[O-] 34a_100000210259_100020667443 [2,0,0,0,0,0|1,0,1]=4 8328 B10R0.4 CCCCCCSCC(=O)N 62a_100000210314_100000747473 [2,0,0,0,0,0|2,0,0]=4 8329 B10R0.4 CCCCCCSCC(=O)N 62a_100000747473_100000210757 [2,0,0,0,0,0|2,0,0]=4 8330 B10R0.4 CCCCCCSCC(=O)[O-] 62a_100000210314_100020667443 [2,0,0,0,0,0|1,0,1]=4 8331 B10R0.4 CCCCCCSCC(=O)[O-] 62a_100020667443_100000210757 [2,0,0,0,0,0|1,0,1]=4 8332 B10R0.4 CCCCCNCCC(=O)N 2230a_100000209983_100000744528 [2,0,0,0,0,0|2,0,0]=4 8333 B10R0.4 CCCCCNOCC(=O)O 269956a_100000106656_100000210326 [2,0,0,0,0,0|2,0,0]=4 8334 B10R0.4 CCCCCOCCC(=O)C 34a_100000759926_100000718602 [2,0,0,0,0,0|2,0,0]=4 8335 B10R0.4 CCCCCOCCC(=O)C 7a_100000210253_100000053229 [2,0,0,0,0,0|2,0,0]=4 8336 B10R0.4 CCCCCOCCC(=O)C 7a_100000759926_100000210326 [2,0,0,0,0,0|2,0,0]=4 8337 B10R0.4 CCCCCOCCC(=O)N 34a_100000210253_100000731001 [2,0,0,0,0,0|2,0,0]=4 8338 B10R0.4 CCCCCOCCC(=O)N 34a_100000757172_100000718602 [2,0,0,0,0,0|2,0,0]=4 8339 B10R0.4 CCCCCOCCC(=O)N 7a_100000210253_100000744528 [2,0,0,0,0,0|2,0,0]=4 8340 B10R0.4 CCCCCOCCC(=O)N 7a_100000757172_100000210326 [2,0,0,0,0,0|2,0,0]=4 8341 B10R0.4 CCCCCSCCC(=O)C 62a_100000053229_100000210326 [2,0,0,0,0,0|2,0,0]=4 8342 B10R0.4 CCCCCSCCC(=O)C 62a_100000210326_100000053229 [2,0,0,0,0,0|2,0,0]=4 8343 B10R0.4 CCCCCSCCC(=O)N 62a_100000210326_100000744528 [2,0,0,0,0,0|2,0,0]=4 8344 B10R0.4 CCCCCSCCC(=O)N 62a_100000744528_100000210326 [2,0,0,0,0,0|2,0,0]=4 8345 B10R0.4 CCCCNCCCC(=O)C 7a_106832991798_100011215641 [2,0,0,0,0,0|2,0,0]=4 8346 B10R0.4 CCCCNCCCC(=O)N 34a_100000739312_100000210210 [2,0,0,0,0,0|2,0,0]=4 8347 B10R0.4 CCCCNCCCC(=O)N 7a_106832991798_100102525003 [2,0,0,0,0,0|2,0,0]=4 8348 B10R0.4 CCCCOCCCC(=O)C 34a_100000210227_100000685027 [2,0,0,0,0,0|2,0,0]=4 8349 B10R0.4 CCCCOCCCC(=O)C 34a_100000759063_100000210210 [2,0,0,0,0,0|2,0,0]=4 8350 B10R0.4 CCCCOCCCC(=O)C 7a_100000210227_100011215641 [2,0,0,0,0,0|2,0,0]=4 8351 B10R0.4 CCCCOCCCC(=O)C 7a_100000759063_100000210211 [2,0,0,0,0,0|2,0,0]=4 8352 B10R0.4 CCCCOCCCC(=O)N 34a_100000210227_100102525003 [2,0,0,0,0,0|2,0,0]=4 8353 B10R0.4 CCCCOCCCC(=O)N 7a_100000210227_100102525003 [2,0,0,0,0,0|2,0,0]=4 8354 B10R0.4 CCCCOCNCC(=O)O 269956a_100016091260_100011995733 [2,0,0,0,0,0|2,0,0]=4 8355 B10R0.4 CCCCSCCCC(=O)C 62a_100000210211_100011215641 [2,0,0,0,0,0|2,0,0]=4 8356 B10R0.4 CCCCSCCCC(=O)C 62a_100011215641_100000210210 [2,0,0,0,0,0|2,0,0]=4 8357 B10R0.4 CCCCSCCCC(=O)N 62a_100000210211_100102525003 [2,0,0,0,0,0|2,0,0]=4 8358 B10R0.4 CCCCSCCCC(=O)N 62a_100102525003_100000210210 [2,0,0,0,0,0|2,0,0]=4 8359 B10R0.4 CCCNCCCCC(=O)N 34a_100000696515_100000210303 [2,0,0,0,0,0|2,0,0]=4 8360 B10R0.4 CCCNCCOCC(=O)O 269956a_100000700818_100000210207 [2,0,0,0,0,0|2,0,0]=4 8361 B10R0.4 CCCOCCCCC(=O)C 34a_100000210258_100009817362 [2,0,0,0,0,0|2,0,0]=4 8362 B10R0.4 CCCOCCCCC(=O)N 34a_100012022536_100000210303 [2,0,0,0,0,0|2,0,0]=4 8363 B10R0.4 CCCOCCCCC(=O)N 7a_100012022536_100000210303 [2,0,0,0,0,0|2,0,0]=4 8364 B10R0.4 CCCOCCNCC(=O)O 269956a_100016091260_100011215938 [2,0,0,0,0,0|2,0,0]=4 8365 B10R0.4 CCCSCCCCC(=O)C 62a_100000210303_100000735457 [2,0,0,0,0,0|2,0,0]=4 8366 B10R0.4 CCCSCCCCC(=O)C 62a_100000735457_100000210303 [2,0,0,0,0,0|2,0,0]=4 8367 B10R0.4 CCNCCCCCC(=O)N 2230a_100015525214_100009817443 [2,0,0,0,0,0|2,0,0]=4 8368 B10R0.4 CCOCCCCCC(=O)N 34a_100000123541_100000210202 [2,0,0,0,0,0|2,0,0]=4 8369 B10R0.4 CCOCCCCCC(=O)N 34a_100121572206_100009817443 [2,0,0,0,0,0|2,0,0]=4 8370 B10R0.4 CCOCCCCCC(=O)N 7a_100000123541_100000210202 [2,0,0,0,0,0|2,0,0]=4 8371 B10R0.4 CCOCCCCCC(=O)[O-] 7a_100102619762_100000210202 [2,0,0,0,0,0|1,0,1]=4 8372 B10R0.4 CCOCCCNCC(=O)O 269956a_100016091260_100012232248 [2,0,0,0,0,0|2,0,0]=4 8373 B10R0.4 CCSCCCCCC(=O)N 62a_100000210202_100009817443 [2,0,0,0,0,0|2,0,0]=4 8374 B10R0.4 CCSCCCCCC(=O)N 62a_100009817443_100000210202 [2,0,0,0,0,0|2,0,0]=4 8375 B10R0.4 COCCCCCCC(=O)C 1458a_100000070787_100011998445 [2,0,0,0,0,0|2,0,0]=4 8376 B10R0.4 COCCCCNCC(=O)O 269956a_100016091260_100000730899 [2,0,0,0,0,0|2,0,0]=4 8377 B10R0.4 O=C(O)CNCCCCCF 269956a_100016091260_100000729378 [2,0,0,0,0,0|2,0,0]=4 8378 B10R0.4 O=C(O)CNCCCCCO 269956a_100016091260_100000746330 [2,0,0,0,0,0|2,0,0]=4 8379 B10R0.4 [13CH3]C(=O)CCCCCCCO 1458a_100011219782_200025704644 [2,0,0,0,0,0|2,0,0]=4 8380 B12R0.1 C=CCC(=O)CCCCCCCC 1458a_100000210188_100000210623 [1,1,0,0,0,0|1,0,1]=4 8381 B12R0.1 C=CCC(=O)CCCCCCCC 1458a_100000210193_100000210759 [1,1,0,0,0,0|1,0,1]=4 8382 B12R0.1 C=CCC(C)COCCCCCC 34a_100009832082_100000210314 [1,1,0,0,0,0|2,0,0]=4 8383 B12R0.1 C=CCC(C)COCCCCCC 7a_100009832082_100000210314 [1,1,0,0,0,0|2,0,0]=4 8384 B12R0.1 C=CCCCCCCC(=O)CCC 1458a_100000211992_100011215473 [1,1,0,0,0,0|1,0,1]=4 8385 B12R0.1 C=CCCCCCCC(=O)CCC 1458a_100011809334_100000210303 [1,1,0,0,0,0|1,0,1]=4 8386 B12R0.1 C=CCCCCCCN(C)CCC 2230a_100000747261_100011215473 [1,1,0,0,0,0|2,0,0]=4 8387 B12R0.1 C=CCCCCCCN(C)CCC 269982a_100000747261_100011215473 [1,1,0,0,0,0|2,0,0]=4 8388 B12R0.1 C=CCCCCCNC(C)CCC 2230a_100000741246_100000700193 [1,1,0,0,0,0|2,0,0]=4 8389 B12R0.1 C=CCCCCCOC(C)CCC 34a_100000764384_100000700193 [1,1,0,0,0,0|2,0,0]=4 8390 B12R0.1 C=CCCCCCOC(C)CCC 34a_100011216702_100000766640 [1,1,0,0,0,0|2,0,0]=4 8391 B12R0.1 C=CCCCCCOC(C)CCC 7a_100000764384_100000700193 [1,1,0,0,0,0|2,0,0]=4 8392 B12R0.1 C=CCCCCCOC(C)CCC 7a_100011216702_100000766640 [1,1,0,0,0,0|2,0,0]=4 8393 B12R0.1 C=CCCCCCSC(C)CCC 62a_100000700193_100000766640 [1,1,0,0,0,0|2,0,0]=4 8394 B12R0.1 C=CCCCCCSC(C)CCC 62a_100000766640_100000700193 [1,1,0,0,0,0|2,0,0]=4 8395 B12R0.1 C=CCCCCNCC(C)CCC 2230a_100000703577_100011216630 [1,1,0,0,0,0|2,0,0]=4 8396 B12R0.1 C=CCCCCNCC(C)CCC 270004a_100000703577_100000243154 [1,1,0,0,0,0|2,0,0]=4 8397 B12R0.1 C=CCCCCNCC(C)CCC 34a_100000703577_100011216630 [1,1,0,0,0,0|2,0,0]=4 8398 B12R0.1 C=CCCCCOCC(C)CCC 34a_100000688023_100011215482 [1,1,0,0,0,0|2,0,0]=4 8399 B12R0.1 C=CCCCCOCC(C)CCC 34a_100000766645_100011216630 [1,1,0,0,0,0|2,0,0]=4 8400 B12R0.1 C=CCCCCOCC(C)CCC 7a_100000688023_100011215482 [1,1,0,0,0,0|2,0,0]=4 8401 B12R0.1 C=CCCCCOCC(C)CCC 7a_100000766645_100011216630 [1,1,0,0,0,0|2,0,0]=4 8402 B12R0.1 C=CCCCCOC[C@@H](N)CCC 34a_100000732646_100011215482 [1,1,0,0,0,0|2,0,0]=4 8403 B12R0.1 C=CCCCCSCC(C)CCC 62a_100011215482_100011216630 [1,1,0,0,0,0|2,0,0]=4 8404 B12R0.1 C=CCCCCSCC(C)CCC 62a_100011216630_100011215482 [1,1,0,0,0,0|2,0,0]=4 8405 B12R0.1 C=CCCCOCCC(C)CCC 34a_100011217855_100000757094 [1,1,0,0,0,0|2,0,0]=4 8406 B12R0.1 C=CCCCOCCC(C)CCC 7a_100011217855_100000757094 [1,1,0,0,0,0|2,0,0]=4 8407 B12R0.1 C=CCCCOCC[C@@H](N)CCC 34a_100015193777_100000757094 [1,1,0,0,0,0|2,0,0]=4 8408 B12R0.1 C=CCCOCCCC(C)CCC 34a_100011713154_100000754431 [1,1,0,0,0,0|2,0,0]=4 8409 B12R0.1 C=CCCOCCCC(C)CCC 7a_100011713154_100000754431 [1,1,0,0,0,0|2,0,0]=4 8410 B12R0.1 C=CCN(C)CCCCCCCC 2230a_100000207567_100000210623 [1,1,0,0,0,0|2,0,0]=4 8411 B12R0.1 C=CCN(C)CCCCCCCC 2230a_100000225617_100000210759 [1,1,0,0,0,0|2,0,0]=4 8412 B12R0.1 C=CCN(C)CCCCCCCC 269982a_100000207567_100000210623 [1,1,0,0,0,0|2,0,0]=4 8413 B12R0.1 C=CCN(C)CCCCCCCC 269982a_100000225617_100000210759 [1,1,0,0,0,0|2,0,0]=4 8414 B12R0.1 C=CC[C@@H](C)OCCCCCCC 34a_100000731007_100000210614 [1,1,0,0,0,0|2,0,0]=4 8415 B12R0.1 C=CC[C@@H](C)OCCCCCCC 7a_100000731007_100000210614 [1,1,0,0,0,0|2,0,0]=4 8416 B12R0.1 C=CC[C@@H](N)COCCCCCC 34a_100020615467_100000210314 [1,1,0,0,0,0|2,0,0]=4 8417 B12R0.1 CC(CCO)SCCCCCC=O 62a_100000139337_100009893172 [1,1,0,0,0,0|2,0,0]=4 8418 B12R0.1 CC(CCO)SCCCCCC=O 62a_100009893172_100000139337 [1,1,0,0,0,0|2,0,0]=4 8419 B12R0.1 CCCC(=O)CCCCCCCO 1458a_100000211992_100000760002 [1,1,0,0,0,0|0,0,2]=4 8420 B12R0.1 CCCC(=O)CCCCCCCO 1458a_100011219782_100000210303 [1,1,0,0,0,0|0,0,2]=4 8421 B12R0.1 CCCC(=O)CSCCCCC=O 62a_100000139335_100000747444 [1,1,0,0,0,0|1,0,1]=4 8422 B12R0.1 CCCC(=O)CSCCCCC=O 62a_100000747444_100000139335 [1,1,0,0,0,0|1,0,1]=4 8423 B12R0.1 CCCC(C)CCCOCCCO 34a_100011713154_100000230001 [1,1,0,0,0,0|1,0,1]=4 8424 B12R0.1 CCCC(C)CCCOCCCO 7a_100011713154_100011215043 [1,1,0,0,0,0|1,0,1]=4 8425 B12R0.1 CCCC(C)CCOCCCC=O 7a_100011217855_200011292268 [1,1,0,0,0,0|1,0,0]=3 8426 B12R0.1 CCCC(C)CCOCCCCO 34a_100011217855_100011216708 [1,1,0,0,0,0|1,0,1]=4 8427 B12R0.1 CCCC(C)CCOCCCCO 7a_100011217855_100000210776 [1,1,0,0,0,0|1,0,1]=4 8428 B12R0.1 CCCC(C)CNCCCCCO 2230a_100000762737_100011216630 [1,1,0,0,0,0|1,0,1]=4 8429 B12R0.1 CCCC(C)CNCCCCCO 270004a_100000762737_100000243154 [1,1,0,0,0,0|1,0,1]=4 8430 B12R0.1 CCCC(C)CNCCCCCO 34a_100000762737_100011216630 [1,1,0,0,0,0|1,0,1]=4 8431 B12R0.1 CCCC(C)COCCCCC=O 7a_100000688023_100000139335 [1,1,0,0,0,0|1,0,0]=3 8432 B12R0.1 CCCC(C)COCCCCCO 34a_100000688023_100000746330 [1,1,0,0,0,0|1,0,1]=4 8433 B12R0.1 CCCC(C)COCCCCCO 7a_100000688023_100000746330 [1,1,0,0,0,0|1,0,1]=4 8434 B12R0.1 CCCC(C)CSCCCCC=O 62a_100000139335_100011216630 [1,1,0,0,0,0|1,0,0]=3 8435 B12R0.1 CCCC(C)CSCCCCC=O 62a_100011216630_100000139335 [1,1,0,0,0,0|1,0,0]=3 8436 B12R0.1 CCCC(C)CSCCCCCO 62a_100000746330_100011216630 [1,1,0,0,0,0|1,0,1]=4 8437 B12R0.1 CCCC(C)CSCCCCCO 62a_100011216630_100000746330 [1,1,0,0,0,0|1,0,1]=4 8438 B12R0.1 CCCC(C)NCCCCCC=O 2230a_100000741246_100000139337 [1,1,0,0,0,0|1,0,0]=3 8439 B12R0.1 CCCC(C)NCCCCCCO 2230a_100000686447_100000766640 [1,1,0,0,0,0|1,0,1]=4 8440 B12R0.1 CCCC(C)NCCCCCCO 2230a_100000741246_100000766143 [1,1,0,0,0,0|1,0,1]=4 8441 B12R0.1 CCCC(C)NCCCCCCO 270004a_100000686447_100000211909 [1,1,0,0,0,0|1,0,1]=4 8442 B12R0.1 CCCC(C)NCCCCCCO 34a_100000686447_100000766640 [1,1,0,0,0,0|1,0,1]=4 8443 B12R0.1 CCCC(C)OCCCCCC=O 7a_100000764384_100000139337 [1,1,0,0,0,0|1,0,0]=3 8444 B12R0.1 CCCC(C)OCCCCCCO 34a_100000764384_100000766143 [1,1,0,0,0,0|1,0,1]=4 8445 B12R0.1 CCCC(C)OCCCCCCO 7a_100000764384_100000766143 [1,1,0,0,0,0|1,0,1]=4 8446 B12R0.1 CCCC(C)SCCCCCC=O 62a_100000139337_100000766640 [1,1,0,0,0,0|1,0,0]=3 8447 B12R0.1 CCCC(C)SCCCCCC=O 62a_100000766640_100000139337 [1,1,0,0,0,0|1,0,0]=3 8448 B12R0.1 CCCC(C)SCCCCCCO 62a_100000766143_100000766640 [1,1,0,0,0,0|1,0,1]=4 8449 B12R0.1 CCCC(C)SCCCCCCO 62a_100000766640_100000766143 [1,1,0,0,0,0|1,0,1]=4 8450 B12R0.1 CCCCCCCCC(=O)CCO 1458a_100000210188_100000211926 [1,1,0,0,0,0|0,0,2]=4 8451 B12R0.1 CCCCCCCCC(=O)CCO 1458a_100011216618_100000210759 [1,1,0,0,0,0|0,0,2]=4 8452 B12R0.1 CCCCCCCCC(C)CNC 270004a_106832991635_100011995885 [1,1,0,0,0,0|2,0,0]=4 8453 B12R0.1 CCCCCCCCC(C)COC 34a_200012125181_200000210301 [1,1,0,0,0,0|2,0,0]=4 8454 B12R0.1 CCCCCCCCC(C)COC 7a_200012125181_200000210301 [1,1,0,0,0,0|2,0,0]=4 8455 B12R0.1 CCCCCCCCC(C)CO[13CH3] 34a_200012125181_200025704644 [1,1,0,0,0,0|2,0,0]=4 8456 B12R0.1 CCCCCCCCC(C)CO[13CH3] 7a_200012125181_200025704644 [1,1,0,0,0,0|2,0,0]=4 8457 B12R0.1 CCCCCCCCN(C)CC=O 2230a_100000207567_200015260668 [1,1,0,0,0,0|1,0,0]=3 8458 B12R0.1 CCCCCCCCN(C)CC=O 269982a_100000207567_200015260668 [1,1,0,0,0,0|1,0,0]=3 8459 B12R0.1 CCCCCCCCN(C)CCO 2230a_100000207567_100000211926 [1,1,0,0,0,0|1,0,1]=4 8460 B12R0.1 CCCCCCCCN(C)CCO 2230a_100000210263_100000210759 [1,1,0,0,0,0|1,0,1]=4 8461 B12R0.1 CCCCCCCCN(C)CCO 269982a_100000207567_100000211926 [1,1,0,0,0,0|1,0,1]=4 8462 B12R0.1 CCCCCCCCN(C)CCO 269982a_100000210263_100000210759 [1,1,0,0,0,0|1,0,1]=4 8463 B12R0.1 CCCCCCCNC(C)CCO 2230a_100000229938_100009893172 [1,1,0,0,0,0|1,0,1]=4 8464 B12R0.1 CCCCCCCN[C@H](C)CCO 2230a_100000706166_100000210681 [1,1,0,0,0,0|1,0,1]=4 8465 B12R0.1 CCCCCCCN[C@H](C)CCO 34a_100000706166_100000210614 [1,1,0,0,0,0|1,0,1]=4 8466 B12R0.1 CCCCCCCOC(C)CCO 34a_100000210272_100009893172 [1,1,0,0,0,0|1,0,1]=4 8467 B12R0.1 CCCCCCCOC(C)CCO 7a_100000210272_100009893172 [1,1,0,0,0,0|1,0,1]=4 8468 B12R0.1 CCCCCCCSC(C)CCO 62a_100000210614_100009893172 [1,1,0,0,0,0|1,0,1]=4 8469 B12R0.1 CCCCCCCSC(C)CCO 62a_100009893172_100000210316 [1,1,0,0,0,0|1,0,1]=4 8470 B12R0.1 CCCN(C)CCCCCCCO 2230a_100000747261_100000760002 [1,1,0,0,0,0|1,0,1]=4 8471 B12R0.1 CCCN(C)CCCCCCCO 269982a_100000747261_100000760002 [1,1,0,0,0,0|1,0,1]=4 8472 B12R0.1 CCC[C@H](N)CCOCCCCO 34a_100015193777_100011216708 [1,1,0,0,0,0|1,0,1]=4 8473 B12R0.1 CCC[C@H](N)COCCCCCO 34a_100000732646_100000746330 [1,1,0,0,0,0|1,0,1]=4 8474 B12R0.1 COCC(C)SCCCCCC=O 62a_100000139337_100000765312 [1,1,0,0,0,0|2,0,0]=4 8475 B12R0.1 COCC(C)SCCCCCC=O 62a_100000765312_100000139337 [1,1,0,0,0,0|2,0,0]=4 8476 B12R0.1 COCC(O)CNCCCCC=O 2230a_100000756049_100000139335 [1,1,0,0,0,0|2,0,0]=4 8477 B12R0.1 COCC(O)CSCCCCC=O 62a_100000139335_100011215053 [1,1,0,0,0,0|2,0,0]=4 8478 B12R0.1 COCC(O)CSCCCCC=O 62a_100011215053_100000139335 [1,1,0,0,0,0|2,0,0]=4 8479 B12R0.1 COC[C@@H](C)NCCCCCC=O 2230a_100000764878_100000139337 [1,1,0,0,0,0|2,0,0]=4 8480 B12R0.1 C[C@H](CCO)NCCCCCC=O 2230a_100000706166_100000139337 [1,1,0,0,0,0|2,0,0]=4 8481 B12R0.5 C#CCCCCCCCCCOC 34a_100000034437_200000210301 [1,1,0,0,0,0|1,0,1]=4 8482 B12R0.5 C#CCCCCCCCCCOC 7a_100000034437_200000210301 [1,1,0,0,0,0|1,0,1]=4 8483 B12R0.5 C#CCCCCCCCCCO[13CH3] 34a_100000034437_200025704644 [1,1,0,0,0,0|1,0,1]=4 8484 B12R0.5 C#CCCCCCCCCCO[13CH3] 7a_100000034437_200025704644 [1,1,0,0,0,0|1,0,1]=4 8485 B12R0.5 C#CCCCCCCCCOCC 34a_100000065265_100000210202 [1,1,0,0,0,0|1,0,1]=4 8486 B12R0.5 C#CCCCCCCCCOCC 7a_100000065265_100000210202 [1,1,0,0,0,0|1,0,1]=4 8487 B12R0.5 C#CCCCCCCCOCC=O 34a_100000054614_200009817547 [1,1,0,0,0,0|0,0,2]=4 8488 B12R0.5 C#CCCCCCCCOCC=O 7a_100000054614_200015260668 [1,1,0,0,0,0|0,0,2]=4 8489 B12R0.5 C#CCCCCCCCOCCC 34a_100000054614_100000210303 [1,1,0,0,0,0|1,0,1]=4 8490 B12R0.5 C#CCCCCCCCOCCC 34a_100000210258_100153394163 [1,1,0,0,0,0|1,0,1]=4 8491 B12R0.5 C#CCCCCCCCOCCC 7a_100000054614_100000210303 [1,1,0,0,0,0|1,0,1]=4 8492 B12R0.5 C#CCCCCCCCSCC=O 62a_100153394163_200015260668 [1,1,0,0,0,0|0,0,2]=4 8493 B12R0.5 C#CCCCCCCCSCC=O 62a_200015260668_100153394163 [1,1,0,0,0,0|0,0,2]=4 8494 B12R0.5 C#CCCCCCCCSCCC 62a_100000210303_100153394163 [1,1,0,0,0,0|1,0,1]=4 8495 B12R0.5 C#CCCCCCCCSCCC 62a_100153394163_100000210303 [1,1,0,0,0,0|1,0,1]=4 8496 B12R0.5 C#CCCCCCCNCCCC 2230a_100000102301_100012276617 [1,1,0,0,0,0|1,0,1]=4 8497 B12R0.5 C#CCCCCCCNCCCC 7a_106832991798_100012276617 [1,1,0,0,0,0|1,0,1]=4 8498 B12R0.5 C#CCCCCCCOCCCC 34a_100000210227_100012276617 [1,1,0,0,0,0|1,0,1]=4 8499 B12R0.5 C#CCCCCCCOCCCC 34a_100011217361_100000210210 [1,1,0,0,0,0|1,0,1]=4 8500 B12R0.5 C#CCCCCCCOCCCC 7a_100000210227_100012276617 [1,1,0,0,0,0|1,0,1]=4 8501 B12R0.5 C#CCCCCCCOCCCC 7a_100011217361_100000210211 [1,1,0,0,0,0|1,0,1]=4 8502 B12R0.5 C#CCCCCCCSCCCC 62a_100000210211_100012276617 [1,1,0,0,0,0|1,0,1]=4 8503 B12R0.5 C#CCCCCCCSCCCC 62a_100012276617_100000210210 [1,1,0,0,0,0|1,0,1]=4 8504 B12R0.5 C#CCCCCCNCCCCC 2230a_100000209983_100012094781 [1,1,0,0,0,0|1,0,1]=4 8505 B12R0.5 C#CCCCCCOCCCC=O 7a_100000766912_200011292268 [1,1,0,0,0,0|0,0,2]=4 8506 B12R0.5 C#CCCCCCOCCCCC 34a_100000210253_100012094781 [1,1,0,0,0,0|1,0,1]=4 8507 B12R0.5 C#CCCCCCOCCCCC 34a_100000766912_100000718602 [1,1,0,0,0,0|1,0,1]=4 8508 B12R0.5 C#CCCCCCOCCCCC 7a_100000210253_100012094781 [1,1,0,0,0,0|1,0,1]=4 8509 B12R0.5 C#CCCCCCOCCCCC 7a_100000766912_100000210326 [1,1,0,0,0,0|1,0,1]=4 8510 B12R0.5 C#CCCCCCSCCCC=O 62a_100012094781_200011292268 [1,1,0,0,0,0|0,0,2]=4 8511 B12R0.5 C#CCCCCCSCCCC=O 62a_200011292268_100012094781 [1,1,0,0,0,0|0,0,2]=4 8512 B12R0.5 C#CCCCCCSCCCCC 62a_100000210326_100012094781 [1,1,0,0,0,0|1,0,1]=4 8513 B12R0.5 C#CCCCCCSCCCCC 62a_100012094781_100000210326 [1,1,0,0,0,0|1,0,1]=4 8514 B12R0.5 C#CCCCCNCCCCC=O 2230a_100000706060_100000139335 [1,1,0,0,0,0|0,0,2]=4 8515 B12R0.5 C#CCCCCNCCCCCC 2230a_100000210581_100010269958 [1,1,0,0,0,0|1,0,1]=4 8516 B12R0.5 C#CCCCCNCCCCCC 2230a_100000706060_100000210314 [1,1,0,0,0,0|1,0,1]=4 8517 B12R0.5 C#CCCCCNCCCCCC 34a_100000706060_100000210314 [1,1,0,0,0,0|1,0,1]=4 8518 B12R0.5 C#CCCCCOCCCCC=O 7a_100000766709_100000139335 [1,1,0,0,0,0|0,0,2]=4 8519 B12R0.5 C#CCCCCOCCCCCC 34a_100000210259_100010269958 [1,1,0,0,0,0|1,0,1]=4 8520 B12R0.5 C#CCCCCOCCCCCC 34a_100000766709_100000210314 [1,1,0,0,0,0|1,0,1]=4 8521 B12R0.5 C#CCCCCOCCCCCC 7a_100000210259_100010269958 [1,1,0,0,0,0|1,0,1]=4 8522 B12R0.5 C#CCCCCOCCCCCC 7a_100000766709_100000210314 [1,1,0,0,0,0|1,0,1]=4 8523 B12R0.5 C#CCCCCSCCCCC=O 62a_100000139335_100010269958 [1,1,0,0,0,0|0,0,2]=4 8524 B12R0.5 C#CCCCCSCCCCC=O 62a_100010269958_100000139335 [1,1,0,0,0,0|0,0,2]=4 8525 B12R0.5 C#CCCCCSCCCCCC 62a_100000210314_100010269958 [1,1,0,0,0,0|1,0,1]=4 8526 B12R0.5 C#CCCCCSCCCCCC 62a_100010269958_100000210757 [1,1,0,0,0,0|1,0,1]=4 8527 B12R0.5 C#CCCCNCCCCCCC 2230a_100000229938_100000731252 [1,1,0,0,0,0|1,0,1]=4 8528 B12R0.5 C#CCCCNCCCCCCC 34a_100000718082_100000210614 [1,1,0,0,0,0|1,0,1]=4 8529 B12R0.5 C#CCCCOCCCCCC=O 7a_100000215630_100000139337 [1,1,0,0,0,0|0,0,2]=4 8530 B12R0.5 C#CCCCOCCCCCCC 34a_100000210272_100000695029 [1,1,0,0,0,0|1,0,1]=4 8531 B12R0.5 C#CCCCOCCCCCCC 34a_100000215630_100000210614 [1,1,0,0,0,0|1,0,1]=4 8532 B12R0.5 C#CCCCOCCCCCCC 7a_100000210272_100011215417 [1,1,0,0,0,0|1,0,1]=4 8533 B12R0.5 C#CCCCOCCCCCCC 7a_100000215630_100000210614 [1,1,0,0,0,0|1,0,1]=4 8534 B12R0.5 C#CCCCSCCCCCC=O 62a_100000139337_100011215417 [1,1,0,0,0,0|0,0,2]=4 8535 B12R0.5 C#CCCCSCCCCCC=O 62a_100011215417_100000139337 [1,1,0,0,0,0|0,0,2]=4 8536 B12R0.5 C#CCCCSCCCCCCC 62a_100000210614_100011215417 [1,1,0,0,0,0|1,0,1]=4 8537 B12R0.5 C#CCCCSCCCCCCC 62a_100011215417_100000210316 [1,1,0,0,0,0|1,0,1]=4 8538 B12R0.5 C#CCCNCCCCCCCC 2230a_100000229939_100000688953 [1,1,0,0,0,0|1,0,1]=4 8539 B12R0.5 C#CCCNCCCCCCCC 34a_100000229939_100000688953 [1,1,0,0,0,0|1,0,1]=4 8540 B12R0.5 C#CCCNCCCCCCCC 34a_100000755551_100000210759 [1,1,0,0,0,0|1,0,1]=4 8541 B12R0.5 C#CCCOCCCCCCCC 34a_100000210232_100000688953 [1,1,0,0,0,0|1,0,1]=4 8542 B12R0.5 C#CCCOCCCCCCCC 34a_100011215631_100000210759 [1,1,0,0,0,0|1,0,1]=4 8543 B12R0.5 C#CCCOCCCCCCCC 7a_100000210232_100000688953 [1,1,0,0,0,0|1,0,1]=4 8544 B12R0.5 C#CCCSCCCCCCCC 62a_100000210759_100000688953 [1,1,0,0,0,0|1,0,1]=4 8545 B12R0.5 C#CCCSCCCCCCCC 62a_100000688953_100000210317 [1,1,0,0,0,0|1,0,1]=4 8546 B12R0.5 C#CCNCCCCCCCCC 2230a_100000212291_100000038162 [1,1,0,0,0,0|1,0,1]=4 8547 B12R0.5 C#CCNCCCCCCCCC 34a_100000212058_100011214924 [1,1,0,0,0,0|1,0,1]=4 8548 B12R0.5 C#CCNCCCCCCCCC 34a_100000212291_100000184674 [1,1,0,0,0,0|1,0,1]=4 8549 B12R0.5 C#CCOCCCCCCCCC 34a_100000210247_100011214924 [1,1,0,0,0,0|1,0,1]=4 8550 B12R0.5 C#CCOCCCCCCCCC 34a_100000210712_100000184674 [1,1,0,0,0,0|1,0,1]=4 8551 B12R0.5 C#CCOCCCCCCCCC 7a_100000210712_100000038162 [1,1,0,0,0,0|1,0,1]=4 8552 B12R0.5 C#CCSCCCCCCCCC 62a_100000038162_100000210670 [1,1,0,0,0,0|1,0,1]=4 8553 B12R0.5 C/C=C/CCOCCCCCCC 34a_100016278192_100000210614 [1,1,0,0,0,0|1,0,1]=4 8554 B12R0.5 C/C=C/CNCCCCCCCC 34a_100000229939_100102629194 [1,1,0,0,0,0|1,0,1]=4 8555 B12R0.5 C/C=C/COCCCCCCCC 34a_100000210232_100102629194 [1,1,0,0,0,0|1,0,1]=4 8556 B12R0.5 C/C=C/COCCCCCCCC 34a_100016270725_100000210759 [1,1,0,0,0,0|1,0,1]=4 8557 B12R0.5 C/C=C/COCCCCCCCC 7a_100000210232_100102629194 [1,1,0,0,0,0|1,0,1]=4 8558 B12R0.5 C/C=C/CSCCCCCCCC 62a_100000210759_100102629194 [1,1,0,0,0,0|1,0,1]=4 8559 B12R0.5 C/C=C/CSCCCCCCCC 62a_100102629194_100000210317 [1,1,0,0,0,0|1,0,1]=4 8560 B12R0.5 C=CCCCCCCCCCNC 2230a_100000081888_200000210301 [1,1,0,0,0,0|1,0,0]=3 8561 B12R0.5 C=CCCCCCCCCCNC 2230a_106832991635_100009814027 [1,1,0,0,0,0|1,0,0]=3 8562 B12R0.5 C=CCCCCCCCCCNC 34a_100000081888_200000210301 [1,1,0,0,0,0|1,0,0]=3 8563 B12R0.5 C=CCCCCCCCCCNC 34a_100102657272_100009814027 [1,1,0,0,0,0|1,0,0]=3 8564 B12R0.5 C=CCCCCCCCCCNC 7a_106832991635_100009814027 [1,1,0,0,0,0|1,0,0]=3 8565 B12R0.5 C=CCCCCCCCCCN[13CH3] 2230a_100000081888_200025704644 [1,1,0,0,0,0|1,0,0]=3 8566 B12R0.5 C=CCCCCCCCCCN[13CH3] 34a_100000081888_200025704644 [1,1,0,0,0,0|1,0,0]=3 8567 B12R0.5 C=CCCCCCCCCCOC 34a_100000038209_200000210301 [1,1,0,0,0,0|1,0,0]=3 8568 B12R0.5 C=CCCCCCCCCCOC 34a_100138415774_100009814027 [1,1,0,0,0,0|1,0,0]=3 8569 B12R0.5 C=CCCCCCCCCCOC 7a_100000038209_200000210301 [1,1,0,0,0,0|1,0,0]=3 8570 B12R0.5 C=CCCCCCCCCCO[13CH3] 34a_100000038209_200025704644 [1,1,0,0,0,0|1,0,0]=3 8571 B12R0.5 C=CCCCCCCCCCO[13CH3] 7a_100000038209_200025704644 [1,1,0,0,0,0|1,0,0]=3 8572 B12R0.5 C=CCCCCCCCCCSC 62a_100009814027_200000210301 [1,1,0,0,0,0|1,0,0]=3 8573 B12R0.5 C=CCCCCCCCCCSC 62a_200000210301_100009814027 [1,1,0,0,0,0|1,0,0]=3 8574 B12R0.5 C=CCCCCCCCCCS[13CH3] 62a_100009814027_200025704644 [1,1,0,0,0,0|1,0,0]=3 8575 B12R0.5 C=CCCCCCCCCCS[13CH3] 62a_200025704644_100009814027 [1,1,0,0,0,0|1,0,0]=3 8576 B12R0.5 C=CCCCCCCCCNCC 2230a_100015525214_100011933949 [1,1,0,0,0,0|1,0,0]=3 8577 B12R0.5 C=CCCCCCCCCOCC 34a_100011215194_100000210202 [1,1,0,0,0,0|1,0,0]=3 8578 B12R0.5 C=CCCCCCCCCOCC 34a_100121572206_100011933949 [1,1,0,0,0,0|1,0,0]=3 8579 B12R0.5 C=CCCCCCCCCOCC 7a_100011215194_100000210202 [1,1,0,0,0,0|1,0,0]=3 8580 B12R0.5 C=CCCCCCCCCOCF 34a_100011215194_100015361967 [1,1,0,0,0,0|2,0,0]=4 8581 B12R0.5 C=CCCCCCCCCOCF 7a_100011215194_100015361967 [1,1,0,0,0,0|2,0,0]=4 8582 B12R0.5 C=CCCCCCCCCSCC 62a_100000210202_100011933949 [1,1,0,0,0,0|1,0,0]=3 8583 B12R0.5 C=CCCCCCCCCSCC 62a_100011933949_100000210202 [1,1,0,0,0,0|1,0,0]=3 8584 B12R0.5 C=CCCCCCCCCSCF 62a_100011933949_100015361967 [1,1,0,0,0,0|2,0,0]=4 8585 B12R0.5 C=CCCCCCCCCSCF 62a_100015361967_100011933949 [1,1,0,0,0,0|2,0,0]=4 8586 B12R0.5 C=CCCCCCCCNCCF 34a_100000724931_100012355270 [1,1,0,0,0,0|2,0,0]=4 8587 B12R0.5 C=CCCCCCCCNCCO 2230a_100016997473_100012355270 [1,1,0,0,0,0|2,0,0]=4 8588 B12R0.5 C=CCCCCCCCNCCO 34a_100016990907_100012355270 [1,1,0,0,0,0|2,0,0]=4 8589 B12R0.5 C=CCCCCCCCOCC=O 34a_100000730831_200009817547 [1,1,0,0,0,0|0,0,2]=4 8590 B12R0.5 C=CCCCCCCCOCC=O 7a_100000730831_200015260668 [1,1,0,0,0,0|0,0,2]=4 8591 B12R0.5 C=CCCCCCCCOCCBr 34a_100000211926_100012355270 [1,1,0,0,0,0|2,0,0]=4 8592 B12R0.5 C=CCCCCCCCOCCC 34a_100000210258_100012355270 [1,1,0,0,0,0|1,0,0]=3 8593 B12R0.5 C=CCCCCCCCOCCC 34a_100000730831_100000210303 [1,1,0,0,0,0|1,0,0]=3 8594 B12R0.5 C=CCCCCCCCOCCC 7a_100000730831_100000210303 [1,1,0,0,0,0|1,0,0]=3 8595 B12R0.5 C=CCCCCCCCOCCF 34a_100000730831_100011217306 [1,1,0,0,0,0|2,0,0]=4 8596 B12R0.5 C=CCCCCCCCOCCF 7a_100000730831_100011217306 [1,1,0,0,0,0|2,0,0]=4 8597 B12R0.5 C=CCCCCCCCOCCN 34a_100000210304_100012355270 [1,1,0,0,0,0|2,0,0]=4 8598 B12R0.5 C=CCCCCCCCOCCO 34a_100000730831_100000211926 [1,1,0,0,0,0|2,0,0]=4 8599 B12R0.5 C=CCCCCCCCOCCO 7a_100000730831_100000211926 [1,1,0,0,0,0|2,0,0]=4 8600 B12R0.5 C=CCCCCCCCOCSC 34a_100000730831_100011218213 [1,1,0,0,0,0|2,0,0]=4 8601 B12R0.5 C=CCCCCCCCSCC=O 62a_100012355270_200015260668 [1,1,0,0,0,0|0,0,2]=4 8602 B12R0.5 C=CCCCCCCCSCC=O 62a_200015260668_100012355270 [1,1,0,0,0,0|0,0,2]=4 8603 B12R0.5 C=CCCCCCCCSCCC 62a_100000210303_100012355270 [1,1,0,0,0,0|1,0,0]=3 8604 B12R0.5 C=CCCCCCCCSCCC 62a_100012355270_100000210303 [1,1,0,0,0,0|1,0,0]=3 8605 B12R0.5 C=CCCCCCCCSCCF 62a_100011217306_100012355270 [1,1,0,0,0,0|2,0,0]=4 8606 B12R0.5 C=CCCCCCCCSCCF 62a_100012355270_100011217306 [1,1,0,0,0,0|2,0,0]=4 8607 B12R0.5 C=CCCCCCCCSCCO 62a_100000211926_100012355270 [1,1,0,0,0,0|2,0,0]=4 8608 B12R0.5 C=CCCCCCCCSCCO 62a_100012355270_100000211926 [1,1,0,0,0,0|2,0,0]=4 8609 B12R0.5 C=CCCCCCCCSCOC 62a_100000766300_100012355270 [1,1,0,0,0,0|2,0,0]=4 8610 B12R0.5 C=CCCCCCCCSCOC 62a_100012355270_100000766300 [1,1,0,0,0,0|2,0,0]=4 8611 B12R0.5 C=CCCCCCCCSCSC 62a_100011218213_100012355270 [1,1,0,0,0,0|2,0,0]=4 8612 B12R0.5 C=CCCCCCCCSCSC 62a_100012355270_100011218213 [1,1,0,0,0,0|2,0,0]=4 8613 B12R0.5 C=CCCCCCCNCCCC 2230a_100000102301_100011215473 [1,1,0,0,0,0|1,0,0]=3 8614 B12R0.5 C=CCCCCCCNCCCC 7a_106832991798_100011215473 [1,1,0,0,0,0|1,0,0]=3 8615 B12R0.5 C=CCCCCCCNCCCF 2230a_100015189416_100011215473 [1,1,0,0,0,0|2,0,0]=4 8616 B12R0.5 C=CCCCCCCNCCCF 34a_100015189416_100011215473 [1,1,0,0,0,0|2,0,0]=4 8617 B12R0.5 C=CCCCCCCNCCOC 2230a_100000209980_100011215473 [1,1,0,0,0,0|2,0,0]=4 8618 B12R0.5 C=CCCCCCCNCCSC 2230a_100020590264_100011215473 [1,1,0,0,0,0|2,0,0]=4 8619 B12R0.5 C=CCCCCCCOCCCBr 34a_100011217188_100011215473 [1,1,0,0,0,0|2,0,0]=4 8620 B12R0.5 C=CCCCCCCOCCCC 34a_100000210227_100011215473 [1,1,0,0,0,0|1,0,0]=3 8621 B12R0.5 C=CCCCCCCOCCCC 34a_200011216477_100000210210 [1,1,0,0,0,0|1,0,0]=3 8622 B12R0.5 C=CCCCCCCOCCCC 7a_100000210227_100011215473 [1,1,0,0,0,0|1,0,0]=3 8623 B12R0.5 C=CCCCCCCOCCCC 7a_200011216477_100000210211 [1,1,0,0,0,0|1,0,0]=3 8624 B12R0.5 C=CCCCCCCOCCCCl 34a_100000230001_100011215473 [1,1,0,0,0,0|2,0,0]=4 8625 B12R0.5 C=CCCCCCCOCCCF 34a_100000759539_100011215473 [1,1,0,0,0,0|2,0,0]=4 8626 B12R0.5 C=CCCCCCCOCCCF 34a_200011216477_100011934791 [1,1,0,0,0,0|2,0,0]=4 8627 B12R0.5 C=CCCCCCCOCCCF 7a_200011216477_100011934791 [1,1,0,0,0,0|2,0,0]=4 8628 B12R0.5 C=CCCCCCCOCCCN 34a_100000182051_100011215473 [1,1,0,0,0,0|2,0,0]=4 8629 B12R0.5 C=CCCCCCCOCCCO 34a_200011216477_100000230001 [1,1,0,0,0,0|2,0,0]=4 8630 B12R0.5 C=CCCCCCCOCCCO 7a_200011216477_100011215043 [1,1,0,0,0,0|2,0,0]=4 8631 B12R0.5 C=CCCCCCCOCCOC 34a_100000210237_100011215473 [1,1,0,0,0,0|2,0,0]=4 8632 B12R0.5 C=CCCCCCCOCCOC 34a_200011216477_100011201679 [1,1,0,0,0,0|2,0,0]=4 8633 B12R0.5 C=CCCCCCCOCCOC 7a_200011216477_100000233755 [1,1,0,0,0,0|2,0,0]=4 8634 B12R0.5 C=CCCCCCCOCCSC 34a_100000230434_100011215473 [1,1,0,0,0,0|2,0,0]=4 8635 B12R0.5 C=CCCCCCCOCCSC 34a_200011216477_100000212216 [1,1,0,0,0,0|2,0,0]=4 8636 B12R0.5 C=CCCCCCCOCCSC 7a_100000230434_100011215473 [1,1,0,0,0,0|2,0,0]=4 8637 B12R0.5 C=CCCCCCCOCCSC 7a_200011216477_100000212216 [1,1,0,0,0,0|2,0,0]=4 8638 B12R0.5 C=CCCCCCCSCCCC 62a_100000210211_100011215473 [1,1,0,0,0,0|1,0,0]=3 8639 B12R0.5 C=CCCCCCCSCCCC 62a_100011215473_100000210210 [1,1,0,0,0,0|1,0,0]=3 8640 B12R0.5 C=CCCCCCCSCCCF 62a_100011215473_100011934791 [1,1,0,0,0,0|2,0,0]=4 8641 B12R0.5 C=CCCCCCCSCCCF 62a_100011934791_100011215473 [1,1,0,0,0,0|2,0,0]=4 8642 B12R0.5 C=CCCCCCCSCCCO 62a_100011215043_100011215473 [1,1,0,0,0,0|2,0,0]=4 8643 B12R0.5 C=CCCCCCCSCCCO 62a_100011215473_100011215043 [1,1,0,0,0,0|2,0,0]=4 8644 B12R0.5 C=CCCCCCCSCCOC 62a_100000233755_100011215473 [1,1,0,0,0,0|2,0,0]=4 8645 B12R0.5 C=CCCCCCCSCCOC 62a_100011215473_100000233755 [1,1,0,0,0,0|2,0,0]=4 8646 B12R0.5 C=CCCCCCCSCCSC 62a_100000212216_100011215473 [1,1,0,0,0,0|2,0,0]=4 8647 B12R0.5 C=CCCCCCCSCCSC 62a_100011215473_100000751147 [1,1,0,0,0,0|2,0,0]=4 8648 B12R0.5 C=CCCCCCCSCOCC 62a_100000739092_100011215473 [1,1,0,0,0,0|2,0,0]=4 8649 B12R0.5 C=CCCCCCCSCOCC 62a_100011215473_100000739092 [1,1,0,0,0,0|2,0,0]=4 8650 B12R0.5 C=CCCCCCNCCCCC 2230a_100000209983_100000700193 [1,1,0,0,0,0|1,0,0]=3 8651 B12R0.5 C=CCCCCCNCCCCO 2230a_100000750430_100000700193 [1,1,0,0,0,0|2,0,0]=4 8652 B12R0.5 C=CCCCCCNCCCCO 34a_100000750430_100000700193 [1,1,0,0,0,0|2,0,0]=4 8653 B12R0.5 C=CCCCCCNCCCOC 34a_100150723488_100000700193 [1,1,0,0,0,0|2,0,0]=4 8654 B12R0.5 C=CCCCCCNCCCSC 2230a_100000749238_100000700193 [1,1,0,0,0,0|2,0,0]=4 8655 B12R0.5 C=CCCCCCNCCOCC 2230a_102516460346_100000700193 [1,1,0,0,0,0|2,0,0]=4 8656 B12R0.5 C=CCCCCCNCCOCC 34a_102516460346_100000700193 [1,1,0,0,0,0|2,0,0]=4 8657 B12R0.5 C=CCCCCCNCCSCC 2230a_100000106463_100000700193 [1,1,0,0,0,0|2,0,0]=4 8658 B12R0.5 C=CCCCCCOCCCC=O 7a_100011216702_200011292268 [1,1,0,0,0,0|0,0,2]=4 8659 B12R0.5 C=CCCCCCOCCCCBr 34a_100011216708_100000700193 [1,1,0,0,0,0|2,0,0]=4 8660 B12R0.5 C=CCCCCCOCCCCC 34a_100000210253_100000700193 [1,1,0,0,0,0|1,0,0]=3 8661 B12R0.5 C=CCCCCCOCCCCC 34a_100011216702_100000718602 [1,1,0,0,0,0|1,0,0]=3 8662 B12R0.5 C=CCCCCCOCCCCC 7a_100000210253_100000700193 [1,1,0,0,0,0|1,0,0]=3 8663 B12R0.5 C=CCCCCCOCCCCC 7a_100011216702_100000210326 [1,1,0,0,0,0|1,0,0]=3 8664 B12R0.5 C=CCCCCCOCCCCCl 34a_100000210776_100000700193 [1,1,0,0,0,0|2,0,0]=4 8665 B12R0.5 C=CCCCCCOCCCCCl 7a_100000210776_100000700193 [1,1,0,0,0,0|2,0,0]=4 8666 B12R0.5 C=CCCCCCOCCCCF 34a_100011216702_100000729493 [1,1,0,0,0,0|2,0,0]=4 8667 B12R0.5 C=CCCCCCOCCCCF 34a_100011995726_100000700193 [1,1,0,0,0,0|2,0,0]=4 8668 B12R0.5 C=CCCCCCOCCCCF 7a_100011216702_100000729493 [1,1,0,0,0,0|2,0,0]=4 8669 B12R0.5 C=CCCCCCOCCCCF 7a_100011995726_100000700193 [1,1,0,0,0,0|2,0,0]=4 8670 B12R0.5 C=CCCCCCOCCCCI 34a_200012148704_100000700193 [1,1,0,0,0,0|2,0,0]=4 8671 B12R0.5 C=CCCCCCOCCCCN 34a_100000750430_100000700193 [1,1,0,0,0,0|2,0,0]=4 8672 B12R0.5 C=CCCCCCOCCCCO 34a_100011216702_100011216708 [1,1,0,0,0,0|2,0,0]=4 8673 B12R0.5 C=CCCCCCOCCCCO 7a_100011216702_100000210776 [1,1,0,0,0,0|2,0,0]=4 8674 B12R0.5 C=CCCCCCOCCCNC 34a_100000213112_100000700193 [1,1,0,0,0,0|2,0,0]=4 8675 B12R0.5 C=CCCCCCOCCCOC 34a_100000740835_100000700193 [1,1,0,0,0,0|2,0,0]=4 8676 B12R0.5 C=CCCCCCOCCCOC 34a_100011216702_100000740836 [1,1,0,0,0,0|2,0,0]=4 8677 B12R0.5 C=CCCCCCOCCCOC 7a_100011216702_100000740836 [1,1,0,0,0,0|2,0,0]=4 8678 B12R0.5 C=CCCCCCOCCCSC 34a_100000690336_100000700193 [1,1,0,0,0,0|2,0,0]=4 8679 B12R0.5 C=CCCCCCOCCCSC 7a_100000690336_100000700193 [1,1,0,0,0,0|2,0,0]=4 8680 B12R0.5 C=CCCCCCOCCOCC 34a_100000210136_100000700193 [1,1,0,0,0,0|2,0,0]=4 8681 B12R0.5 C=CCCCCCOCCOCC 34a_100011216702_100000210147 [1,1,0,0,0,0|2,0,0]=4 8682 B12R0.5 C=CCCCCCOCCOCC 7a_100000210136_100000700193 [1,1,0,0,0,0|2,0,0]=4 8683 B12R0.5 C=CCCCCCOCCOCC 7a_100011216702_100011215890 [1,1,0,0,0,0|2,0,0]=4 8684 B12R0.5 C=CCCCCCOCCSCC 34a_100000212035_100000700193 [1,1,0,0,0,0|2,0,0]=4 8685 B12R0.5 C=CCCCCCOCCSCC 34a_100011216702_100000757381 [1,1,0,0,0,0|2,0,0]=4 8686 B12R0.5 C=CCCCCCOCCSCC 7a_100000212035_100000700193 [1,1,0,0,0,0|2,0,0]=4 8687 B12R0.5 C=CCCCCCOCCSCC 7a_100011216702_100000757381 [1,1,0,0,0,0|2,0,0]=4 8688 B12R0.5 C=CCCCCCSCCCC=O 62a_100000700193_200011292268 [1,1,0,0,0,0|0,0,2]=4 8689 B12R0.5 C=CCCCCCSCCCC=O 62a_200011292268_100000700193 [1,1,0,0,0,0|0,0,2]=4 8690 B12R0.5 C=CCCCCCSCCCCC 62a_100000210326_100000700193 [1,1,0,0,0,0|1,0,0]=3 8691 B12R0.5 C=CCCCCCSCCCCC 62a_100000700193_100000210326 [1,1,0,0,0,0|1,0,0]=3 8692 B12R0.5 C=CCCCCCSCCCCF 62a_100000700193_100000729493 [1,1,0,0,0,0|2,0,0]=4 8693 B12R0.5 C=CCCCCCSCCCCF 62a_100000729493_100000700193 [1,1,0,0,0,0|2,0,0]=4 8694 B12R0.5 C=CCCCCCSCCCCO 62a_100000210776_100000700193 [1,1,0,0,0,0|2,0,0]=4 8695 B12R0.5 C=CCCCCCSCCCCO 62a_100000700193_100000210776 [1,1,0,0,0,0|2,0,0]=4 8696 B12R0.5 C=CCCCCCSCCCOC 62a_100000700193_100000709357 [1,1,0,0,0,0|2,0,0]=4 8697 B12R0.5 C=CCCCCCSCCCOC 62a_100000709357_100000700193 [1,1,0,0,0,0|2,0,0]=4 8698 B12R0.5 C=CCCCCCSCCOCC 62a_100000210147_100000700193 [1,1,0,0,0,0|2,0,0]=4 8699 B12R0.5 C=CCCCCCSCCOCC 62a_100000700193_100011215890 [1,1,0,0,0,0|2,0,0]=4 8700 B12R0.5 C=CCCCCCSCCSCC 62a_100000700193_100000757381 [1,1,0,0,0,0|2,0,0]=4 8701 B12R0.5 C=CCCCCCSCCSCC 62a_100000757381_100000700193 [1,1,0,0,0,0|2,0,0]=4 8702 B12R0.5 C=CCCCCNCCCCC=O 2230a_100000703577_100000139335 [1,1,0,0,0,0|0,0,2]=4 8703 B12R0.5 C=CCCCCNCCCCCC 2230a_100000210581_100011215482 [1,1,0,0,0,0|1,0,0]=3 8704 B12R0.5 C=CCCCCNCCCCCC 2230a_100000703577_100000210314 [1,1,0,0,0,0|1,0,0]=3 8705 B12R0.5 C=CCCCCNCCCCCC 34a_100000703577_100000210314 [1,1,0,0,0,0|1,0,0]=3 8706 B12R0.5 C=CCCCCNCCCCCF 2230a_100000703577_100000729378 [1,1,0,0,0,0|2,0,0]=4 8707 B12R0.5 C=CCCCCNCCCCCF 34a_100000703577_100000729378 [1,1,0,0,0,0|2,0,0]=4 8708 B12R0.5 C=CCCCCNCCCCCO 2230a_100000703577_100000746330 [1,1,0,0,0,0|2,0,0]=4 8709 B12R0.5 C=CCCCCNCCCCCO 2230a_100000762737_100011215482 [1,1,0,0,0,0|2,0,0]=4 8710 B12R0.5 C=CCCCCNCCCCCO 34a_100000703577_100000746330 [1,1,0,0,0,0|2,0,0]=4 8711 B12R0.5 C=CCCCCNCCCCCO 34a_100000762737_100011215482 [1,1,0,0,0,0|2,0,0]=4 8712 B12R0.5 C=CCCCCNCCCCOC 2230a_100000703577_100000730899 [1,1,0,0,0,0|2,0,0]=4 8713 B12R0.5 C=CCCCCNCCCCOC 34a_100000703577_100000755781 [1,1,0,0,0,0|2,0,0]=4 8714 B12R0.5 C=CCCCCNCCCOCC 2230a_100000210961_100011215482 [1,1,0,0,0,0|2,0,0]=4 8715 B12R0.5 C=CCCCCNCCCOCC 2230a_100000703577_100012232248 [1,1,0,0,0,0|2,0,0]=4 8716 B12R0.5 C=CCCCCNCCCOCC 34a_100000210961_100011215482 [1,1,0,0,0,0|2,0,0]=4 8717 B12R0.5 C=CCCCCNCCCOCC 34a_100000703577_100012232248 [1,1,0,0,0,0|2,0,0]=4 8718 B12R0.5 C=CCCCCNCCOCCC 2230a_100000703577_100011215938 [1,1,0,0,0,0|2,0,0]=4 8719 B12R0.5 C=CCCCCNCCOCCC 2230a_100161115042_100011215482 [1,1,0,0,0,0|2,0,0]=4 8720 B12R0.5 C=CCCCCNCCOCCC 34a_100000703577_100011215938 [1,1,0,0,0,0|2,0,0]=4 8721 B12R0.5 C=CCCCCNCCOCCC 34a_100161115042_100011215482 [1,1,0,0,0,0|2,0,0]=4 8722 B12R0.5 C=CCCCCNCCSCCC 2230a_100020603323_100011215482 [1,1,0,0,0,0|2,0,0]=4 8723 B12R0.5 C=CCCCCNCOCCCC 2230a_100000703577_100011995733 [1,1,0,0,0,0|2,0,0]=4 8724 B12R0.5 C=CCCCCNCOCCCC 34a_100000703577_100011995733 [1,1,0,0,0,0|2,0,0]=4 8725 B12R0.5 C=CCCCCOCCCCC=O 7a_100000766645_100000139335 [1,1,0,0,0,0|0,0,2]=4 8726 B12R0.5 C=CCCCCOCCCCCBr 34a_100000746331_100011215482 [1,1,0,0,0,0|2,0,0]=4 8727 B12R0.5 C=CCCCCOCCCCCBr 7a_100000746331_100011215482 [1,1,0,0,0,0|2,0,0]=4 8728 B12R0.5 C=CCCCCOCCCCCC 34a_100000210259_100011215482 [1,1,0,0,0,0|1,0,0]=3 8729 B12R0.5 C=CCCCCOCCCCCC 34a_100000766645_100000210314 [1,1,0,0,0,0|1,0,0]=3 8730 B12R0.5 C=CCCCCOCCCCCC 7a_100000210259_100011215482 [1,1,0,0,0,0|1,0,0]=3 8731 B12R0.5 C=CCCCCOCCCCCC 7a_100000766645_100000210314 [1,1,0,0,0,0|1,0,0]=3 8732 B12R0.5 C=CCCCCOCCCCCCl 34a_100000746330_100011215482 [1,1,0,0,0,0|2,0,0]=4 8733 B12R0.5 C=CCCCCOCCCCCCl 7a_100000746330_100011215482 [1,1,0,0,0,0|2,0,0]=4 8734 B12R0.5 C=CCCCCOCCCCCF 34a_100000766645_100000729378 [1,1,0,0,0,0|2,0,0]=4 8735 B12R0.5 C=CCCCCOCCCCCF 7a_100000766645_100000729378 [1,1,0,0,0,0|2,0,0]=4 8736 B12R0.5 C=CCCCCOCCCCCI 34a_200012148887_100011215482 [1,1,0,0,0,0|2,0,0]=4 8737 B12R0.5 C=CCCCCOCCCCCI 7a_200012148887_100011215482 [1,1,0,0,0,0|2,0,0]=4 8738 B12R0.5 C=CCCCCOCCCCCN 34a_100000762737_100011215482 [1,1,0,0,0,0|2,0,0]=4 8739 B12R0.5 C=CCCCCOCCCCCO 34a_100000766645_100000746330 [1,1,0,0,0,0|2,0,0]=4 8740 B12R0.5 C=CCCCCOCCCCCO 7a_100000766645_100000746330 [1,1,0,0,0,0|2,0,0]=4 8741 B12R0.5 C=CCCCCOCCCCOC 34a_100000740925_100011215482 [1,1,0,0,0,0|2,0,0]=4 8742 B12R0.5 C=CCCCCOCCCCOC 34a_100000766645_100000755781 [1,1,0,0,0,0|2,0,0]=4 8743 B12R0.5 C=CCCCCOCCCCOC 7a_100000766645_100000730899 [1,1,0,0,0,0|2,0,0]=4 8744 B12R0.5 C=CCCCCOCCCCSC 34a_100011217163_100011215482 [1,1,0,0,0,0|2,0,0]=4 8745 B12R0.5 C=CCCCCOCCCCSC 7a_100011217163_100011215482 [1,1,0,0,0,0|2,0,0]=4 8746 B12R0.5 C=CCCCCOCCCOCC 34a_100000757476_100011215482 [1,1,0,0,0,0|2,0,0]=4 8747 B12R0.5 C=CCCCCOCCCOCC 34a_100000766645_100012232248 [1,1,0,0,0,0|2,0,0]=4 8748 B12R0.5 C=CCCCCOCCCOCC 7a_100000757476_100011215482 [1,1,0,0,0,0|2,0,0]=4 8749 B12R0.5 C=CCCCCOCCCOCC 7a_100000766645_100012232248 [1,1,0,0,0,0|2,0,0]=4 8750 B12R0.5 C=CCCCCOCCCSCC 34a_100011216438_100011215482 [1,1,0,0,0,0|2,0,0]=4 8751 B12R0.5 C=CCCCCOCCCSCC 7a_100011216438_100011215482 [1,1,0,0,0,0|2,0,0]=4 8752 B12R0.5 C=CCCCCOCCOCCC 34a_100000752267_100011215482 [1,1,0,0,0,0|2,0,0]=4 8753 B12R0.5 C=CCCCCOCCOCCC 34a_100000766645_100011215938 [1,1,0,0,0,0|2,0,0]=4 8754 B12R0.5 C=CCCCCOCCOCCC 7a_100000752267_100011215482 [1,1,0,0,0,0|2,0,0]=4 8755 B12R0.5 C=CCCCCOCCOCCC 7a_100000766645_100011215938 [1,1,0,0,0,0|2,0,0]=4 8756 B12R0.5 C=CCCCCOCCSCCC 34a_200000230433_100011215482 [1,1,0,0,0,0|2,0,0]=4 8757 B12R0.5 C=CCCCCOCCSCCC 7a_200000230433_100011215482 [1,1,0,0,0,0|2,0,0]=4 8758 B12R0.5 C=CCCCCOCOCCCC 34a_100000766645_100011995733 [1,1,0,0,0,0|2,0,0]=4 8759 B12R0.5 C=CCCCCSCCCCC=O 62a_100000139335_100011215482 [1,1,0,0,0,0|0,0,2]=4 8760 B12R0.5 C=CCCCCSCCCCC=O 62a_100011215482_100000139335 [1,1,0,0,0,0|0,0,2]=4 8761 B12R0.5 C=CCCCCSCCCCCC 62a_100000210314_100011215482 [1,1,0,0,0,0|1,0,0]=3 8762 B12R0.5 C=CCCCCSCCCCCC 62a_100011215482_100000210757 [1,1,0,0,0,0|1,0,0]=3 8763 B12R0.5 C=CCCCCSCCCCCF 62a_100000729378_100011215482 [1,1,0,0,0,0|2,0,0]=4 8764 B12R0.5 C=CCCCCSCCCCCF 62a_100011215482_100000729378 [1,1,0,0,0,0|2,0,0]=4 8765 B12R0.5 C=CCCCCSCCCCCO 62a_100000746330_100011215482 [1,1,0,0,0,0|2,0,0]=4 8766 B12R0.5 C=CCCCCSCCCCCO 62a_100011215482_100000746330 [1,1,0,0,0,0|2,0,0]=4 8767 B12R0.5 C=CCCCCSCCCCOC 62a_100000730899_100011215482 [1,1,0,0,0,0|2,0,0]=4 8768 B12R0.5 C=CCCCCSCCCCOC 62a_100011215482_100000730899 [1,1,0,0,0,0|2,0,0]=4 8769 B12R0.5 C=CCCCCSCCCOCC 62a_100011215482_100012232248 [1,1,0,0,0,0|2,0,0]=4 8770 B12R0.5 C=CCCCCSCCCOCC 62a_100012232248_100011215482 [1,1,0,0,0,0|2,0,0]=4 8771 B12R0.5 C=CCCCCSCCOCCC 62a_100011215482_100011215938 [1,1,0,0,0,0|2,0,0]=4 8772 B12R0.5 C=CCCCCSCCOCCC 62a_100011215938_100011215482 [1,1,0,0,0,0|2,0,0]=4 8773 B12R0.5 C=CCCCCSCOCCCC 62a_100011215482_100011995733 [1,1,0,0,0,0|2,0,0]=4 8774 B12R0.5 C=CCCCCSCOCCCC 62a_100011995733_100011215482 [1,1,0,0,0,0|2,0,0]=4 8775 B12R0.5 C=CCCCNCCCCCC=O 2230a_100000700776_100000139337 [1,1,0,0,0,0|0,0,2]=4 8776 B12R0.5 C=CCCCNCCCCCCC 2230a_100000229938_100011713584 [1,1,0,0,0,0|1,0,0]=3 8777 B12R0.5 C=CCCCNCCCCCCC 2230a_100000700776_100000210681 [1,1,0,0,0,0|1,0,0]=3 8778 B12R0.5 C=CCCCNCCCCCCC 34a_100000700776_100000210614 [1,1,0,0,0,0|1,0,0]=3 8779 B12R0.5 C=CCCCNCCCCCCF 2230a_100000700776_100015922095 [1,1,0,0,0,0|2,0,0]=4 8780 B12R0.5 C=CCCCNCCCCCCF 34a_100000700776_100015922095 [1,1,0,0,0,0|2,0,0]=4 8781 B12R0.5 C=CCCCNCCCCCCO 2230a_100000686447_100011713584 [1,1,0,0,0,0|2,0,0]=4 8782 B12R0.5 C=CCCCNCCCCCCO 2230a_100000700776_100000766143 [1,1,0,0,0,0|2,0,0]=4 8783 B12R0.5 C=CCCCNCCCCCCO 34a_100000686447_100000757094 [1,1,0,0,0,0|2,0,0]=4 8784 B12R0.5 C=CCCCNCCCCCCO 34a_100000700776_100000766143 [1,1,0,0,0,0|2,0,0]=4 8785 B12R0.5 C=CCCCNCCCCCOC 2230a_100000747528_100011713584 [1,1,0,0,0,0|2,0,0]=4 8786 B12R0.5 C=CCCCNCCCCCOC 34a_100000747528_100000757094 [1,1,0,0,0,0|2,0,0]=4 8787 B12R0.5 C=CCCCNCCCOCCC 2230a_100011217757_100011713584 [1,1,0,0,0,0|2,0,0]=4 8788 B12R0.5 C=CCCCNCCCOCCC 34a_100011217757_100000757094 [1,1,0,0,0,0|2,0,0]=4 8789 B12R0.5 C=CCCCNCCOCCCC 2230a_100000700776_100000743108 [1,1,0,0,0,0|2,0,0]=4 8790 B12R0.5 C=CCCCNCCOCCCC 34a_100000700776_100000743108 [1,1,0,0,0,0|2,0,0]=4 8791 B12R0.5 C=CCCCNCCSCCCC 2230a_100025743550_100011713584 [1,1,0,0,0,0|2,0,0]=4 8792 B12R0.5 C=CCCCOCCCCCC=O 7a_100000758997_100000139337 [1,1,0,0,0,0|0,0,2]=4 8793 B12R0.5 C=CCCCOCCCCCCBr 34a_100011215345_100000757094 [1,1,0,0,0,0|2,0,0]=4 8794 B12R0.5 C=CCCCOCCCCCCBr 7a_100011215345_100000757094 [1,1,0,0,0,0|2,0,0]=4 8795 B12R0.5 C=CCCCOCCCCCCC 34a_100000210272_100000757094 [1,1,0,0,0,0|1,0,0]=3 8796 B12R0.5 C=CCCCOCCCCCCC 34a_100000758997_100000210614 [1,1,0,0,0,0|1,0,0]=3 8797 B12R0.5 C=CCCCOCCCCCCC 7a_100000210272_100000757094 [1,1,0,0,0,0|1,0,0]=3 8798 B12R0.5 C=CCCCOCCCCCCC 7a_100000758997_100000210614 [1,1,0,0,0,0|1,0,0]=3 8799 B12R0.5 C=CCCCOCCCCCCCl 34a_100000766143_100000757094 [1,1,0,0,0,0|2,0,0]=4 8800 B12R0.5 C=CCCCOCCCCCCCl 7a_100000766143_100000757094 [1,1,0,0,0,0|2,0,0]=4 8801 B12R0.5 C=CCCCOCCCCCCF 34a_100000732779_100000757094 [1,1,0,0,0,0|2,0,0]=4 8802 B12R0.5 C=CCCCOCCCCCCF 34a_100000758997_100015922095 [1,1,0,0,0,0|2,0,0]=4 8803 B12R0.5 C=CCCCOCCCCCCF 7a_100000732779_100000757094 [1,1,0,0,0,0|2,0,0]=4 8804 B12R0.5 C=CCCCOCCCCCCF 7a_100000758997_100015922095 [1,1,0,0,0,0|2,0,0]=4 8805 B12R0.5 C=CCCCOCCCCCCN 34a_100000686447_100000757094 [1,1,0,0,0,0|2,0,0]=4 8806 B12R0.5 C=CCCCOCCCCCCO 34a_100000758997_100000766143 [1,1,0,0,0,0|2,0,0]=4 8807 B12R0.5 C=CCCCOCCCCCCO 7a_100000758997_100000766143 [1,1,0,0,0,0|2,0,0]=4 8808 B12R0.5 C=CCCCOCCCCCNC 34a_100000722520_100000757094 [1,1,0,0,0,0|2,0,0]=4 8809 B12R0.5 C=CCCCOCCOCCCC 34a_100000210238_100000757094 [1,1,0,0,0,0|2,0,0]=4 8810 B12R0.5 C=CCCCOCCOCCCC 34a_100000758997_100000743108 [1,1,0,0,0,0|2,0,0]=4 8811 B12R0.5 C=CCCCOCCOCCCC 7a_100000210238_100000757094 [1,1,0,0,0,0|2,0,0]=4 8812 B12R0.5 C=CCCCOCCOCCCC 7a_100000758997_100000743108 [1,1,0,0,0,0|2,0,0]=4 8813 B12R0.5 C=CCCCOCCSCCCC 34a_200000230436_100000757094 [1,1,0,0,0,0|2,0,0]=4 8814 B12R0.5 C=CCCCOCCSCCCC 7a_200000230436_100000757094 [1,1,0,0,0,0|2,0,0]=4 8815 B12R0.5 C=CCCCSCCCCCC=O 62a_100000139337_100000757094 [1,1,0,0,0,0|0,0,2]=4 8816 B12R0.5 C=CCCCSCCCCCC=O 62a_100011713584_100000139337 [1,1,0,0,0,0|0,0,2]=4 8817 B12R0.5 C=CCCCSCCCCCCC 62a_100000210614_100000757094 [1,1,0,0,0,0|1,0,0]=3 8818 B12R0.5 C=CCCCSCCCCCCC 62a_100011713584_100000210316 [1,1,0,0,0,0|1,0,0]=3 8819 B12R0.5 C=CCCCSCCCCCCF 62a_100011713584_100015922095 [1,1,0,0,0,0|2,0,0]=4 8820 B12R0.5 C=CCCCSCCCCCCF 62a_100015922095_100000757094 [1,1,0,0,0,0|2,0,0]=4 8821 B12R0.5 C=CCCCSCCCCCCO 62a_100000766143_100000757094 [1,1,0,0,0,0|2,0,0]=4 8822 B12R0.5 C=CCCCSCCCCCCO 62a_100011713584_100000766143 [1,1,0,0,0,0|2,0,0]=4 8823 B12R0.5 C=CCCCSCCOCCCC 62a_100000743108_100000757094 [1,1,0,0,0,0|2,0,0]=4 8824 B12R0.5 C=CCCCSCCOCCCC 62a_100011713584_100000743108 [1,1,0,0,0,0|2,0,0]=4 8825 B12R0.5 C=CCCNCCCCCCCC 2230a_100000229939_100000754431 [1,1,0,0,0,0|1,0,0]=3 8826 B12R0.5 C=CCCNCCCCCCCC 2230a_100015191253_100000210759 [1,1,0,0,0,0|1,0,0]=3 8827 B12R0.5 C=CCCNCCCCCCCC 34a_100000229939_100000754431 [1,1,0,0,0,0|1,0,0]=3 8828 B12R0.5 C=CCCNCCCCCCCO 2230a_100011996573_100000754431 [1,1,0,0,0,0|2,0,0]=4 8829 B12R0.5 C=CCCNCCCCCCCO 2230a_100015191253_100000760002 [1,1,0,0,0,0|2,0,0]=4 8830 B12R0.5 C=CCCNCCCCCCCO 34a_100011996573_100000754431 [1,1,0,0,0,0|2,0,0]=4 8831 B12R0.5 C=CCCNCCCCCCOC 2230a_100015191253_100011998445 [1,1,0,0,0,0|2,0,0]=4 8832 B12R0.5 C=CCCNCCCOCCCC 2230a_200000211371_100000754431 [1,1,0,0,0,0|2,0,0]=4 8833 B12R0.5 C=CCCNCCCOCCCC 34a_200000211371_100000754431 [1,1,0,0,0,0|2,0,0]=4 8834 B12R0.5 C=CCCOCCCCCCCBr 34a_100000760002_100000754431 [1,1,0,0,0,0|2,0,0]=4 8835 B12R0.5 C=CCCOCCCCCCCBr 7a_100000760002_100000754431 [1,1,0,0,0,0|2,0,0]=4 8836 B12R0.5 C=CCCOCCCCCCCC 34a_100000210232_100000754431 [1,1,0,0,0,0|1,0,0]=3 8837 B12R0.5 C=CCCOCCCCCCCC 34a_100011205117_100000210759 [1,1,0,0,0,0|1,0,0]=3 8838 B12R0.5 C=CCCOCCCCCCCC 7a_100000210232_100000754431 [1,1,0,0,0,0|1,0,0]=3 8839 B12R0.5 C=CCCOCCCCCCCN 34a_100011996573_100000754431 [1,1,0,0,0,0|2,0,0]=4 8840 B12R0.5 C=CCCOCCCCCCCO 34a_100011205117_100000760002 [1,1,0,0,0,0|2,0,0]=4 8841 B12R0.5 C=CCCOCCCCCCOC 34a_100011205117_100011998445 [1,1,0,0,0,0|2,0,0]=4 8842 B12R0.5 C=CCCOCCCCCCOC 34a_200012092642_100000754431 [1,1,0,0,0,0|2,0,0]=4 8843 B12R0.5 C=CCCOCCCCCCOC 7a_200012092642_100000754431 [1,1,0,0,0,0|2,0,0]=4 8844 B12R0.5 C=CCCOCCCOCCCC 34a_200011215613_100000754431 [1,1,0,0,0,0|2,0,0]=4 8845 B12R0.5 C=CCCOCCCOCCCC 7a_200011215613_100000754431 [1,1,0,0,0,0|2,0,0]=4 8846 B12R0.5 C=CCCOCCNCCCCC 34a_100000224656_100000754431 [1,1,0,0,0,0|2,0,0]=4 8847 B12R0.5 C=CCCOCCOCCCCC 34a_100011215259_100000754431 [1,1,0,0,0,0|2,0,0]=4 8848 B12R0.5 C=CCCOCCOCCCCC 7a_100011215259_100000754431 [1,1,0,0,0,0|2,0,0]=4 8849 B12R0.5 C=CCCSCCCCCCCC 62a_100000210759_100000754431 [1,1,0,0,0,0|1,0,0]=3 8850 B12R0.5 C=CCCSCCCCCCCC 62a_100000754431_100000210317 [1,1,0,0,0,0|1,0,0]=3 8851 B12R0.5 C=CCCSCCCCCCCO 62a_100000754431_100000760002 [1,1,0,0,0,0|2,0,0]=4 8852 B12R0.5 C=CCCSCCCCCCCO 62a_100000760002_100000754431 [1,1,0,0,0,0|2,0,0]=4 8853 B12R0.5 C=CCCSCCCCCCOC 62a_100000754431_100011998445 [1,1,0,0,0,0|2,0,0]=4 8854 B12R0.5 C=CCCSCCCCCCOC 62a_100011998445_100000754431 [1,1,0,0,0,0|2,0,0]=4 8855 B12R0.5 C=CCNCCCCCCCCC 2230a_100000212291_100000210623 [1,1,0,0,0,0|1,0,0]=3 8856 B12R0.5 C=CCNCCCCCCCCC 2230a_100020586998_100011214924 [1,1,0,0,0,0|1,0,0]=3 8857 B12R0.5 C=CCNCCCCCCCCC 34a_100000212291_100015514636 [1,1,0,0,0,0|1,0,0]=3 8858 B12R0.5 C=CCNCCCCCCCCO 2230a_100020586998_100000033203 [1,1,0,0,0,0|2,0,0]=4 8859 B12R0.5 C=CCNCCCCCCCCO 2230a_102515433106_100000210623 [1,1,0,0,0,0|2,0,0]=4 8860 B12R0.5 C=CCNCCCCCCCCO 34a_102515433106_100015514636 [1,1,0,0,0,0|2,0,0]=4 8861 B12R0.5 C=CCOCCCCCCCCBr 34a_100009813846_100015514636 [1,1,0,0,0,0|2,0,0]=4 8862 B12R0.5 C=CCOCCCCCCCCBr 7a_100009813846_100015514636 [1,1,0,0,0,0|2,0,0]=4 8863 B12R0.5 C=CCOCCCCCCCCC 34a_100000210712_100015514636 [1,1,0,0,0,0|1,0,0]=3 8864 B12R0.5 C=CCOCCCCCCCCC 34a_200000210373_100011214924 [1,1,0,0,0,0|1,0,0]=3 8865 B12R0.5 C=CCOCCCCCCCCC 7a_100000210712_100015514636 [1,1,0,0,0,0|1,0,0]=3 8866 B12R0.5 C=CCOCCCCCCCCCl 34a_100000033203_100015514636 [1,1,0,0,0,0|2,0,0]=4 8867 B12R0.5 C=CCOCCCCCCCCCl 7a_100000033203_100015514636 [1,1,0,0,0,0|2,0,0]=4 8868 B12R0.5 C=CCOCCCCCCCCN 34a_102515433106_100015514636 [1,1,0,0,0,0|2,0,0]=4 8869 B12R0.5 C=CCOCCCCCCCCO 34a_200000210373_100000033203 [1,1,0,0,0,0|2,0,0]=4 8870 B12R0.5 C=CCOCCCCNCCCC 34a_200011216965_100015514636 [1,1,0,0,0,0|2,0,0]=4 8871 B12R0.5 C=CCOCCCCOCCCC 34a_200000760531_100015514636 [1,1,0,0,0,0|2,0,0]=4 8872 B12R0.5 C=CCOCCCCOCCCC 7a_200000760531_100015514636 [1,1,0,0,0,0|2,0,0]=4 8873 B12R0.5 C=CCOCCOCCCCCC 34a_100000037705_100000210314 [1,1,0,0,0,0|2,0,0]=4 8874 B12R0.5 C=CCOCCOCCCCCC 34a_100000691444_100015514636 [1,1,0,0,0,0|2,0,0]=4 8875 B12R0.5 C=CCOCCOCCCCCC 7a_100000037705_100000210314 [1,1,0,0,0,0|2,0,0]=4 8876 B12R0.5 C=CCOCCOCCCCCC 7a_100000691444_100015514636 [1,1,0,0,0,0|2,0,0]=4 8877 B12R0.5 C=CCSCCCCCCCCC 62a_100000210623_100000210670 [1,1,0,0,0,0|1,0,0]=3 8878 B12R0.5 C=CCSCCCCCCCCO 62a_100000033203_100000210623 [1,1,0,0,0,0|2,0,0]=4 8879 B12R0.5 C=CCSCCCCCCCCO 62a_100000210623_100000033203 [1,1,0,0,0,0|2,0,0]=4 8880 B12R0.5 C=COCCCCOCCCCC 34a_100000031558_100000718602 [1,1,0,0,0,0|2,0,0]=4 8881 B12R0.5 C=COCCCCOCCCCC 7a_100000031558_100000210326 [1,1,0,0,0,0|2,0,0]=4 8882 B12R0.5 C=COCCCNCCCCCC 2230a_100000210767_100000210314 [1,1,0,0,0,0|2,0,0]=4 8883 B12R0.5 C=COCCCNCCCCCC 34a_100000210767_100000210314 [1,1,0,0,0,0|2,0,0]=4 8884 B12R0.5 C=COCCNCCCCCCC 2230a_100000229938_100000039644 [1,1,0,0,0,0|2,0,0]=4 8885 B12R0.5 C=COCCOCCCCCCC 34a_100000033082_100000210614 [1,1,0,0,0,0|2,0,0]=4 8886 B12R0.5 C=COCCOCCCCCCC 34a_100000210272_100000039644 [1,1,0,0,0,0|2,0,0]=4 8887 B12R0.5 C=COCCOCCCCCCC 7a_100000210272_100000039644 [1,1,0,0,0,0|2,0,0]=4 8888 B12R0.5 C=COCCSCCCCCCC 62a_100000039644_100000210316 [1,1,0,0,0,0|2,0,0]=4 8889 B12R0.5 C=COCCSCCCCCCC 62a_100000210614_100000039644 [1,1,0,0,0,0|2,0,0]=4 8890 B12R0.5 CC/C=C/CCCOCCCC=O 7a_100016287902_200011292268 [1,1,0,0,0,0|0,0,2]=4 8891 B12R0.5 CC/C=C\CCCCCOCC=O 34a_100016268722_200009817547 [1,1,0,0,0,0|0,0,2]=4 8892 B12R0.5 CC/C=C\CCCCCOCC=O 7a_100016268722_200015260668 [1,1,0,0,0,0|0,0,2]=4 8893 B12R0.5 CC/C=C\CCOCCCCC=O 7a_100016288707_100000139335 [1,1,0,0,0,0|0,0,2]=4 8894 B12R0.5 CC/C=C\CCSCCCCC=O 62a_100000139335_100015370543 [1,1,0,0,0,0|0,0,2]=4 8895 B12R0.5 CC/C=C\CCSCCCCC=O 62a_100015370543_100000139335 [1,1,0,0,0,0|0,0,2]=4 8896 B12R0.5 CC/C=C\CSCCCCCC=O 62a_100000139337_100103147603 [1,1,0,0,0,0|0,0,2]=4 8897 B12R0.5 CC/C=C\CSCCCCCC=O 62a_100103147603_100000139337 [1,1,0,0,0,0|0,0,2]=4 8898 B12R0.5 CC=CCCCOCCCCCC 34a_100020645299_100000210314 [1,1,0,0,0,0|1,0,1]=4 8899 B12R0.5 CC=CCNCCCCCCCC 2230a_100000229939_100000070051 [1,1,0,0,0,0|1,0,1]=4 8900 B12R0.5 CC=CCNCCCCCCCC 34a_100000229939_100000070051 [1,1,0,0,0,0|1,0,1]=4 8901 B12R0.5 CC=CCOCCCCCCCC 34a_100000210232_100000070051 [1,1,0,0,0,0|1,0,1]=4 8902 B12R0.5 CC=CCOCCCCCCCC 7a_100000210232_100000070051 [1,1,0,0,0,0|1,0,1]=4 8903 B12R0.5 CC=CCSCCCCCCCC 62a_100000070051_100000210317 [1,1,0,0,0,0|1,0,1]=4 8904 B12R0.5 CC=CCSCCCCCCCC 62a_100000210759_100000070051 [1,1,0,0,0,0|1,0,1]=4 8905 B12R0.5 CCC#CCCOCCCCC=O 7a_100000036655_100000139335 [1,1,0,0,0,0|0,0,2]=4 8906 B12R0.5 CCC#CCSCCCCCC=O 62a_100000139337_100009813939 [1,1,0,0,0,0|0,0,2]=4 8907 B12R0.5 CCC#CCSCCCCCC=O 62a_100009813939_100000139337 [1,1,0,0,0,0|0,0,2]=4 8908 B12R0.5 CCC/C=C/COCCCCC=O 7a_100016278788_100000139335 [1,1,0,0,0,0|0,0,2]=4 8909 B12R0.5 CCCC#CCCOCCCC=O 7a_100000042726_200011292268 [1,1,0,0,0,0|0,0,2]=4 8910 B12R0.5 CCCC#CCOCCCCC=O 7a_100000034806_100000139335 [1,1,0,0,0,0|0,0,2]=4 8911 B12R0.5 CCCC/C=C/COCCCC=O 7a_200016272032_200011292268 [1,1,0,0,0,0|0,0,2]=4 8912 B12R0.5 CCCCC#CCCCSCC=O 62a_200000047210_200015260668 [1,1,0,0,0,0|0,0,2]=4 8913 B12R0.5 CCCCC#CCCCSCC=O 62a_200015260668_200000047210 [1,1,0,0,0,0|0,0,2]=4 8914 B12R0.5 CCCCC#CCOCCCC=O 7a_200000034558_200011292268 [1,1,0,0,0,0|0,0,2]=4 8915 B12R0.5 CCCCC/C=C\CCOCC=O 34a_100016277358_200009817547 [1,1,0,0,0,0|0,0,2]=4 8916 B12R0.5 CCCCC/C=C\CCOCC=O 7a_100016277358_200015260668 [1,1,0,0,0,0|0,0,2]=4 8917 B12R0.5 CCCCCC#CCCOCC=O 34a_200000042877_200009817547 [1,1,0,0,0,0|0,0,2]=4 8918 B12R0.5 CCCCCC#CCCOCC=O 7a_200000042877_200015260668 [1,1,0,0,0,0|0,0,2]=4 8919 B12R0.5 CCCCCC/C=C/COCC=O 34a_200016276170_200009817547 [1,1,0,0,0,0|0,0,2]=4 8920 B12R0.5 CCCCCC/C=C/COCC=O 7a_200016276170_200015260668 [1,1,0,0,0,0|0,0,2]=4 8921 B12R0.5 CCCCCCC#CCOCC=O 34a_200000037284_200009817547 [1,1,0,0,0,0|0,0,2]=4 8922 B12R0.5 CCCCCCC#CCOCC=O 7a_200000037284_200015260668 [1,1,0,0,0,0|0,0,2]=4 8923 B12R0.5 CCCCCCCCCCCNC 2230a_106832991635_100011215454 [1,1,0,0,0,0|1,0,1]=4 8924 B12R0.5 CCCCCCCCCCCNC 2230a_200011215754_200000210301 [1,1,0,0,0,0|1,0,1]=4 8925 B12R0.5 CCCCCCCCCCCNC 34a_100102657272_100011215454 [1,1,0,0,0,0|1,0,1]=4 8926 B12R0.5 CCCCCCCCCCCNC 34a_200011215754_200000210301 [1,1,0,0,0,0|1,0,1]=4 8927 B12R0.5 CCCCCCCCCCCNC 7a_106832991635_100011215454 [1,1,0,0,0,0|1,0,1]=4 8928 B12R0.5 CCCCCCCCCCCN[13CH3] 2230a_200011215754_200025704644 [1,1,0,0,0,0|1,0,1]=4 8929 B12R0.5 CCCCCCCCCCCN[13CH3] 34a_200011215754_200025704644 [1,1,0,0,0,0|1,0,1]=4 8930 B12R0.5 CCCCCCCCCCCOC 34a_100000210809_200000210301 [1,1,0,0,0,0|0,0,1]=3 8931 B12R0.5 CCCCCCCCCCCOC 34a_100138415774_100011215454 [1,1,0,0,0,0|0,0,1]=3 8932 B12R0.5 CCCCCCCCCCCOC 7a_100000210809_200000210301 [1,1,0,0,0,0|0,0,1]=3 8933 B12R0.5 CCCCCCCCCCCO[13CH3] 34a_100000210809_200025704644 [1,1,0,0,0,0|0,0,1]=3 8934 B12R0.5 CCCCCCCCCCCO[13CH3] 7a_100000210809_200025704644 [1,1,0,0,0,0|0,0,1]=3 8935 B12R0.5 CCCCCCCCCCCSC 62a_200000210301_100011215454 [1,1,0,0,0,0|0,1,1]=4 8936 B12R0.5 CCCCCCCCCCCS[13CH3] 62a_200025704644_100011215454 [1,1,0,0,0,0|0,1,1]=4 8937 B12R0.5 CCCCCCCCCCNCC 2230a_100000684558_100000210202 [1,1,0,0,0,0|1,0,1]=4 8938 B12R0.5 CCCCCCCCCCNCC 2230a_100015525214_100000210320 [1,1,0,0,0,0|1,0,1]=4 8939 B12R0.5 CCCCCCCCCCNCC 34a_100000684558_100000210202 [1,1,0,0,0,0|1,0,1]=4 8940 B12R0.5 CCCCCCCCCCNCF 34a_100000684558_100015361967 [1,1,0,0,0,0|1,0,1]=4 8941 B12R0.5 CCCCCCCCCCOCC 34a_100000210711_100000210202 [1,1,0,0,0,0|1,0,1]=4 8942 B12R0.5 CCCCCCCCCCOCC 34a_100121572206_100000210320 [1,1,0,0,0,0|1,0,1]=4 8943 B12R0.5 CCCCCCCCCCOCC 7a_100000210711_100000210202 [1,1,0,0,0,0|1,0,1]=4 8944 B12R0.5 CCCCCCCCCCOCF 34a_100000210711_100015361967 [1,1,0,0,0,0|1,0,1]=4 8945 B12R0.5 CCCCCCCCCCOCF 7a_100000210711_100015361967 [1,1,0,0,0,0|1,0,1]=4 8946 B12R0.5 CCCCCCCCCCSCC 62a_100000210202_100000210320 [1,1,0,0,0,0|1,0,1]=4 8947 B12R0.5 CCCCCCCCCCSCF 62a_100015361967_100000210320 [1,1,0,0,0,0|1,0,1]=4 8948 B12R0.5 CCCCCCCCCNCC#N 2230a_100000212291_100011215382 [1,1,0,0,0,0|1,0,1]=4 8949 B12R0.5 CCCCCCCCCNCC=O 2230a_100000212291_200015260668 [1,1,0,0,0,0|0,0,0]=2 8950 B12R0.5 CCCCCCCCCNCC=O 34a_100000212291_200009817547 [1,1,0,0,0,0|0,0,0]=2 8951 B12R0.5 CCCCCCCCCNCCC 2230a_100000212291_100000210303 [1,1,0,0,0,0|1,0,1]=4 8952 B12R0.5 CCCCCCCCCNCCC 34a_100000212291_100000210303 [1,1,0,0,0,0|1,0,1]=4 8953 B12R0.5 CCCCCCCCCNCCF 2230a_100000212291_100011217306 [1,1,0,0,0,0|1,0,1]=4 8954 B12R0.5 CCCCCCCCCNCCF 34a_100000212291_100011217306 [1,1,0,0,0,0|1,0,1]=4 8955 B12R0.5 CCCCCCCCCNCCF 34a_100000724931_100011214924 [1,1,0,0,0,0|1,0,1]=4 8956 B12R0.5 CCCCCCCCCNCCO 2230a_100000212291_100000211926 [1,1,0,0,0,0|0,0,1]=3 8957 B12R0.5 CCCCCCCCCNCCO 2230a_100016997473_100011214924 [1,1,0,0,0,0|0,0,1]=3 8958 B12R0.5 CCCCCCCCCNCCO 34a_100000212291_100000211926 [1,1,0,0,0,0|0,0,1]=3 8959 B12R0.5 CCCCCCCCCNCCO 34a_100016990907_100011214924 [1,1,0,0,0,0|0,0,1]=3 8960 B12R0.5 CCCCCCCCCNCOC 2230a_100000212291_100000766300 [1,1,0,0,0,0|1,0,1]=4 8961 B12R0.5 CCCCCCCCCNCSC 2230a_100000212291_100011218213 [1,1,0,0,0,0|2,0,0]=4 8962 B12R0.5 CCCCCCCCCNCSC 34a_100000212291_100011218213 [1,1,0,0,0,0|2,0,0]=4 8963 B12R0.5 CCCCCCCCCOCC#N 7a_100000210712_100011215382 [1,1,0,0,0,0|1,0,1]=4 8964 B12R0.5 CCCCCCCCCOCC=O 34a_100000210712_200009817547 [1,1,0,0,0,0|0,0,0]=2 8965 B12R0.5 CCCCCCCCCOCC=O 7a_100000210712_200015260668 [1,1,0,0,0,0|0,0,0]=2 8966 B12R0.5 CCCCCCCCCOCCBr 34a_100000211926_100011214924 [1,1,0,0,0,0|1,0,1]=4 8967 B12R0.5 CCCCCCCCCOCCC 34a_100000210258_100011214924 [1,1,0,0,0,0|1,0,1]=4 8968 B12R0.5 CCCCCCCCCOCCC 34a_100000210712_100000210303 [1,1,0,0,0,0|1,0,1]=4 8969 B12R0.5 CCCCCCCCCOCCC 7a_100000210712_100000210303 [1,1,0,0,0,0|1,0,1]=4 8970 B12R0.5 CCCCCCCCCOCCF 34a_100000210712_100011217306 [1,1,0,0,0,0|1,0,1]=4 8971 B12R0.5 CCCCCCCCCOCCF 7a_100000210712_100011217306 [1,1,0,0,0,0|1,0,1]=4 8972 B12R0.5 CCCCCCCCCOCCN 34a_100000210304_100011214924 [1,1,0,0,0,0|1,0,1]=4 8973 B12R0.5 CCCCCCCCCOCCO 34a_100000210712_100000211926 [1,1,0,0,0,0|0,0,1]=3 8974 B12R0.5 CCCCCCCCCOCCO 7a_100000210712_100000211926 [1,1,0,0,0,0|0,0,1]=3 8975 B12R0.5 CCCCCCCCCOCSC 34a_100000210712_100011218213 [1,1,0,0,0,0|2,0,0]=4 8976 B12R0.5 CCCCCCCCCSCC#N 62a_100011215382_100000210670 [1,1,0,0,0,0|1,0,1]=4 8977 B12R0.5 CCCCCCCCCSCC=O 62a_200015260668_100000210670 [1,1,0,0,0,0|0,0,0]=2 8978 B12R0.5 CCCCCCCCCSCCC 62a_100000210303_100000210670 [1,1,0,0,0,0|1,0,1]=4 8979 B12R0.5 CCCCCCCCCSCCF 62a_100011217306_100000210670 [1,1,0,0,0,0|1,0,1]=4 8980 B12R0.5 CCCCCCCCCSCCO 62a_100000211926_100000210670 [1,1,0,0,0,0|0,0,1]=3 8981 B12R0.5 CCCCCCCCCSCOC 62a_100000766300_100000210670 [1,1,0,0,0,0|1,0,1]=4 8982 B12R0.5 CCCCCCCCCSCSC 62a_100011218213_100000210670 [1,1,0,0,0,0|2,0,0]=4 8983 B12R0.5 CCCCCCCCNCCC#N 2230a_100000229939_100011215226 [1,1,0,0,0,0|1,0,1]=4 8984 B12R0.5 CCCCCCCCNCCCC 2230a_100000102301_100000210759 [1,1,0,0,0,0|1,0,1]=4 8985 B12R0.5 CCCCCCCCNCCCC 2230a_100000229939_100000210211 [1,1,0,0,0,0|1,0,1]=4 8986 B12R0.5 CCCCCCCCNCCCC 34a_100000229939_100000210210 [1,1,0,0,0,0|1,0,1]=4 8987 B12R0.5 CCCCCCCCNCCCC 7a_106832991798_100000210759 [1,1,0,0,0,0|1,0,1]=4 8988 B12R0.5 CCCCCCCCNCCCF 2230a_100000229939_100011934791 [1,1,0,0,0,0|1,0,1]=4 8989 B12R0.5 CCCCCCCCNCCCF 2230a_100015189416_100000210759 [1,1,0,0,0,0|1,0,1]=4 8990 B12R0.5 CCCCCCCCNCCCF 34a_100000229939_100011934791 [1,1,0,0,0,0|1,0,1]=4 8991 B12R0.5 CCCCCCCCNCCCF 34a_100015189416_100000210759 [1,1,0,0,0,0|1,0,1]=4 8992 B12R0.5 CCCCCCCCNCCCO 2230a_100000229939_100000230001 [1,1,0,0,0,0|0,0,1]=3 8993 B12R0.5 CCCCCCCCNCCCO 34a_100000229939_100000230001 [1,1,0,0,0,0|0,0,1]=3 8994 B12R0.5 CCCCCCCCNCCOC 2230a_100000209980_100000210759 [1,1,0,0,0,0|1,0,1]=4 8995 B12R0.5 CCCCCCCCNCCOC 2230a_100000229939_100011201679 [1,1,0,0,0,0|1,0,1]=4 8996 B12R0.5 CCCCCCCCNCCOC 34a_100000229939_100011201679 [1,1,0,0,0,0|1,0,1]=4 8997 B12R0.5 CCCCCCCCNCCSC 2230a_100000229939_100000751147 [1,1,0,0,0,0|2,0,0]=4 8998 B12R0.5 CCCCCCCCNCCSC 2230a_100020590264_100000210759 [1,1,0,0,0,0|2,0,0]=4 8999 B12R0.5 CCCCCCCCNCCSC 34a_100000229939_100000212216 [1,1,0,0,0,0|2,0,0]=4 9000 B12R0.5 CCCCCCCCOCCC#N 7a_100000210232_100000184422 [1,1,0,0,0,0|1,0,1]=4 9001 B12R0.5 CCCCCCCCOCCCBr 34a_100011217188_100000210759 [1,1,0,0,0,0|1,0,1]=4 9002 B12R0.5 CCCCCCCCOCCCC 34a_100000210227_100000210759 [1,1,0,0,0,0|1,0,1]=4 9003 B12R0.5 CCCCCCCCOCCCC 34a_100000210232_100000210210 [1,1,0,0,0,0|1,0,1]=4 9004 B12R0.5 CCCCCCCCOCCCC 7a_100000210227_100000210759 [1,1,0,0,0,0|1,0,1]=4 9005 B12R0.5 CCCCCCCCOCCCC 7a_100000210232_100000210211 [1,1,0,0,0,0|1,0,1]=4 9006 B12R0.5 CCCCCCCCOCCCCl 34a_100000230001_100000210759 [1,1,0,0,0,0|1,0,1]=4 9007 B12R0.5 CCCCCCCCOCCCF 34a_100000210232_100011934791 [1,1,0,0,0,0|1,0,1]=4 9008 B12R0.5 CCCCCCCCOCCCF 34a_100000759539_100000210759 [1,1,0,0,0,0|1,0,1]=4 9009 B12R0.5 CCCCCCCCOCCCF 7a_100000210232_100011934791 [1,1,0,0,0,0|1,0,1]=4 9010 B12R0.5 CCCCCCCCOCCCN 34a_100000182051_100000210759 [1,1,0,0,0,0|1,0,1]=4 9011 B12R0.5 CCCCCCCCOCCCO 34a_100000210232_100000230001 [1,1,0,0,0,0|0,0,1]=3 9012 B12R0.5 CCCCCCCCOCCCO 7a_100000210232_100011215043 [1,1,0,0,0,0|0,0,1]=3 9013 B12R0.5 CCCCCCCCOCCOC 34a_100000210232_100011201679 [1,1,0,0,0,0|1,0,1]=4 9014 B12R0.5 CCCCCCCCOCCOC 34a_100000210237_100000210759 [1,1,0,0,0,0|1,0,1]=4 9015 B12R0.5 CCCCCCCCOCCOC 7a_100000210232_100000233755 [1,1,0,0,0,0|1,0,1]=4 9016 B12R0.5 CCCCCCCCOCCON 34a_100000700252_100000210759 [1,1,0,0,0,0|1,0,1]=4 9017 B12R0.5 CCCCCCCCOCCSC 34a_100000210232_100000212216 [1,1,0,0,0,0|2,0,0]=4 9018 B12R0.5 CCCCCCCCOCCSC 34a_100000230434_100000210759 [1,1,0,0,0,0|2,0,0]=4 9019 B12R0.5 CCCCCCCCOCCSC 7a_100000210232_100000212216 [1,1,0,0,0,0|2,0,0]=4 9020 B12R0.5 CCCCCCCCOCCSC 7a_100000230434_100000210759 [1,1,0,0,0,0|2,0,0]=4 9021 B12R0.5 CCCCCCCCSCCC#N 62a_100000210759_100011215226 [1,1,0,0,0,0|1,0,1]=4 9022 B12R0.5 CCCCCCCCSCCC#N 62a_100011215226_100000210317 [1,1,0,0,0,0|1,0,1]=4 9023 B12R0.5 CCCCCCCCSCCCC 62a_100000210211_100000210317 [1,1,0,0,0,0|1,0,1]=4 9024 B12R0.5 CCCCCCCCSCCCC 62a_100000210759_100000210210 [1,1,0,0,0,0|1,0,1]=4 9025 B12R0.5 CCCCCCCCSCCCF 62a_100000210759_100011934791 [1,1,0,0,0,0|1,0,1]=4 9026 B12R0.5 CCCCCCCCSCCCF 62a_100011934791_100000210317 [1,1,0,0,0,0|1,0,1]=4 9027 B12R0.5 CCCCCCCCSCCCO 62a_100000210759_100011215043 [1,1,0,0,0,0|0,0,1]=3 9028 B12R0.5 CCCCCCCCSCCCO 62a_100011215043_100000210317 [1,1,0,0,0,0|0,0,1]=3 9029 B12R0.5 CCCCCCCCSCCOC 62a_100000210759_100000233755 [1,1,0,0,0,0|1,0,1]=4 9030 B12R0.5 CCCCCCCCSCCOC 62a_100000233755_100000210317 [1,1,0,0,0,0|1,0,1]=4 9031 B12R0.5 CCCCCCCCSCCSC 62a_100000210759_100000751147 [1,1,0,0,0,0|2,0,0]=4 9032 B12R0.5 CCCCCCCCSCCSC 62a_100000212216_100000210317 [1,1,0,0,0,0|2,0,0]=4 9033 B12R0.5 CCCCCCCNCCCC#N 2230a_100000229938_100000687738 [1,1,0,0,0,0|1,0,1]=4 9034 B12R0.5 CCCCCCCNCCCC=O 2230a_100000229938_200011292268 [1,1,0,0,0,0|0,0,0]=2 9035 B12R0.5 CCCCCCCNCCCCC 2230a_100000209983_100000210681 [1,1,0,0,0,0|1,0,1]=4 9036 B12R0.5 CCCCCCCNCCCCC 2230a_100000229938_100000210326 [1,1,0,0,0,0|1,0,1]=4 9037 B12R0.5 CCCCCCCNCCCCF 2230a_100000229938_100000729493 [1,1,0,0,0,0|1,0,1]=4 9038 B12R0.5 CCCCCCCNCCCCO 2230a_100000229938_100000210776 [1,1,0,0,0,0|0,0,1]=3 9039 B12R0.5 CCCCCCCNCCCCO 2230a_100000750430_100000210681 [1,1,0,0,0,0|0,0,1]=3 9040 B12R0.5 CCCCCCCNCCCCO 34a_100000750430_100000210614 [1,1,0,0,0,0|0,0,1]=3 9041 B12R0.5 CCCCCCCNCCCOC 2230a_100000229938_100000740836 [1,1,0,0,0,0|1,0,1]=4 9042 B12R0.5 CCCCCCCNCCCOC 34a_100150723488_100000210614 [1,1,0,0,0,0|1,0,1]=4 9043 B12R0.5 CCCCCCCNCCCSC 2230a_100000749238_100000210681 [1,1,0,0,0,0|2,0,0]=4 9044 B12R0.5 CCCCCCCOCCCC#N 7a_100000210272_100000687738 [1,1,0,0,0,0|1,0,1]=4 9045 B12R0.5 CCCCCCCOCCCC=O 7a_100000210272_200011292268 [1,1,0,0,0,0|0,0,0]=2 9046 B12R0.5 CCCCCCCOCCCCBr 34a_100011216708_100000210614 [1,1,0,0,0,0|1,0,1]=4 9047 B12R0.5 CCCCCCCOCCCCC 34a_100000210253_100000210614 [1,1,0,0,0,0|1,0,1]=4 9048 B12R0.5 CCCCCCCOCCCCC 34a_100000210272_100000718602 [1,1,0,0,0,0|1,0,1]=4 9049 B12R0.5 CCCCCCCOCCCCC 7a_100000210253_100000210614 [1,1,0,0,0,0|1,0,1]=4 9050 B12R0.5 CCCCCCCOCCCCC 7a_100000210272_100000210326 [1,1,0,0,0,0|1,0,1]=4 9051 B12R0.5 CCCCCCCOCCCCCl 34a_100000210776_100000210614 [1,1,0,0,0,0|1,0,1]=4 9052 B12R0.5 CCCCCCCOCCCCCl 7a_100000210776_100000210614 [1,1,0,0,0,0|1,0,1]=4 9053 B12R0.5 CCCCCCCOCCCCF 34a_100000210272_100000729493 [1,1,0,0,0,0|1,0,1]=4 9054 B12R0.5 CCCCCCCOCCCCF 34a_100011995726_100000210614 [1,1,0,0,0,0|1,0,1]=4 9055 B12R0.5 CCCCCCCOCCCCF 7a_100000210272_100000729493 [1,1,0,0,0,0|1,0,1]=4 9056 B12R0.5 CCCCCCCOCCCCF 7a_100011995726_100000210614 [1,1,0,0,0,0|1,0,1]=4 9057 B12R0.5 CCCCCCCOCCCCI 34a_200012148704_100000210614 [1,1,0,0,0,0|1,0,1]=4 9058 B12R0.5 CCCCCCCOCCCCN 34a_100000750430_100000210614 [1,1,0,0,0,0|1,0,1]=4 9059 B12R0.5 CCCCCCCOCCCCO 34a_100000210272_100011216708 [1,1,0,0,0,0|0,0,1]=3 9060 B12R0.5 CCCCCCCOCCCCO 7a_100000210272_100000210776 [1,1,0,0,0,0|0,0,1]=3 9061 B12R0.5 CCCCCCCOCCCNC 34a_100000213112_100000210614 [1,1,0,0,0,0|2,0,0]=4 9062 B12R0.5 CCCCCCCOCCCOC 34a_100000210272_100000740836 [1,1,0,0,0,0|1,0,1]=4 9063 B12R0.5 CCCCCCCOCCCOC 34a_100000740835_100000210614 [1,1,0,0,0,0|1,0,1]=4 9064 B12R0.5 CCCCCCCOCCCOC 7a_100000210272_100000740836 [1,1,0,0,0,0|1,0,1]=4 9065 B12R0.5 CCCCCCCOCCCSC 34a_100000690336_100000210614 [1,1,0,0,0,0|2,0,0]=4 9066 B12R0.5 CCCCCCCOCCCSC 7a_100000690336_100000210614 [1,1,0,0,0,0|2,0,0]=4 9067 B12R0.5 CCCCCCCSCCCC#N 62a_100000210614_100000687738 [1,1,0,0,0,0|1,0,1]=4 9068 B12R0.5 CCCCCCCSCCCC#N 62a_100000687738_100000210316 [1,1,0,0,0,0|1,0,1]=4 9069 B12R0.5 CCCCCCCSCCCC=O 62a_100000210614_200011292268 [1,1,0,0,0,0|0,0,0]=2 9070 B12R0.5 CCCCCCCSCCCC=O 62a_200011292268_100000210316 [1,1,0,0,0,0|0,0,0]=2 9071 B12R0.5 CCCCCCCSCCCCC 62a_100000210326_100000210316 [1,1,0,0,0,0|1,0,1]=4 9072 B12R0.5 CCCCCCCSCCCCC 62a_100000210614_100000210326 [1,1,0,0,0,0|1,0,1]=4 9073 B12R0.5 CCCCCCCSCCCCF 62a_100000210614_100000729493 [1,1,0,0,0,0|1,0,1]=4 9074 B12R0.5 CCCCCCCSCCCCF 62a_100000729493_100000210316 [1,1,0,0,0,0|1,0,1]=4 9075 B12R0.5 CCCCCCCSCCCCO 62a_100000210614_100000210776 [1,1,0,0,0,0|0,0,1]=3 9076 B12R0.5 CCCCCCCSCCCCO 62a_100000210776_100000210316 [1,1,0,0,0,0|0,0,1]=3 9077 B12R0.5 CCCCCCCSCCCOC 62a_100000210614_100000709357 [1,1,0,0,0,0|1,0,1]=4 9078 B12R0.5 CCCCCCCSCCCOC 62a_100000709357_100000210316 [1,1,0,0,0,0|1,0,1]=4 9079 B12R0.5 CCCCCCNCCCCC#N 2230a_100000210581_100000211819 [1,1,0,0,0,0|1,0,1]=4 9080 B12R0.5 CCCCCCNCCCCC=O 2230a_100000210581_100000139335 [1,1,0,0,0,0|0,0,0]=2 9081 B12R0.5 CCCCCCNCCCCCC 2230a_100000210581_100000210314 [1,1,0,0,0,0|1,0,1]=4 9082 B12R0.5 CCCCCCNCCCCCF 2230a_100000210581_100000729378 [1,1,0,0,0,0|1,0,1]=4 9083 B12R0.5 CCCCCCNCCCCCO 2230a_100000210581_100000746330 [1,1,0,0,0,0|0,0,1]=3 9084 B12R0.5 CCCCCCNCCCCCO 2230a_100000762737_100000210314 [1,1,0,0,0,0|0,0,1]=3 9085 B12R0.5 CCCCCCNCCCCCO 34a_100000762737_100000210314 [1,1,0,0,0,0|0,0,1]=3 9086 B12R0.5 CCCCCCNCCCCOC 2230a_100000210581_100000730899 [1,1,0,0,0,0|1,0,1]=4 9087 B12R0.5 CCCCCCNCCOCCO 2230a_100000210581_100011215305 [1,1,0,0,0,0|1,0,1]=4 9088 B12R0.5 CCCCCCNCCOCCO 2230a_100000211614_100000210314 [1,1,0,0,0,0|1,0,1]=4 9089 B12R0.5 CCCCCCNCCOCCO 34a_100000211614_100000210314 [1,1,0,0,0,0|1,0,1]=4 9090 B12R0.5 CCCCCCNCCSCCO 2230a_100011219999_100000210314 [1,1,0,0,0,0|1,0,1]=4 9091 B12R0.5 CCCCCCOCCCCC#N 7a_100000210259_100000211819 [1,1,0,0,0,0|1,0,1]=4 9092 B12R0.5 CCCCCCOCCCCC=O 7a_100000210259_100000139335 [1,1,0,0,0,0|0,0,0]=2 9093 B12R0.5 CCCCCCOCCCCCBr 34a_100000746331_100000210314 [1,1,0,0,0,0|1,0,1]=4 9094 B12R0.5 CCCCCCOCCCCCBr 7a_100000746331_100000210314 [1,1,0,0,0,0|1,0,1]=4 9095 B12R0.5 CCCCCCOCCCCCC 34a_100000210259_100000210314 [1,1,0,0,0,0|1,0,1]=4 9096 B12R0.5 CCCCCCOCCCCCC 7a_100000210259_100000210314 [1,1,0,0,0,0|1,0,1]=4 9097 B12R0.5 CCCCCCOCCCCCCl 34a_100000746330_100000210314 [1,1,0,0,0,0|1,0,1]=4 9098 B12R0.5 CCCCCCOCCCCCCl 7a_100000746330_100000210314 [1,1,0,0,0,0|1,0,1]=4 9099 B12R0.5 CCCCCCOCCCCCF 34a_100000210259_100000729378 [1,1,0,0,0,0|1,0,1]=4 9100 B12R0.5 CCCCCCOCCCCCF 7a_100000210259_100000729378 [1,1,0,0,0,0|1,0,1]=4 9101 B12R0.5 CCCCCCOCCCCCI 34a_200012148887_100000210314 [1,1,0,0,0,0|1,0,1]=4 9102 B12R0.5 CCCCCCOCCCCCI 7a_200012148887_100000210314 [1,1,0,0,0,0|1,0,1]=4 9103 B12R0.5 CCCCCCOCCCCCN 34a_100000762737_100000210314 [1,1,0,0,0,0|1,0,1]=4 9104 B12R0.5 CCCCCCOCCCCCO 34a_100000210259_100000746330 [1,1,0,0,0,0|0,0,1]=3 9105 B12R0.5 CCCCCCOCCCCCO 7a_100000210259_100000746330 [1,1,0,0,0,0|0,0,1]=3 9106 B12R0.5 CCCCCCOCCCCOC 34a_100000210259_100000755781 [1,1,0,0,0,0|1,0,1]=4 9107 B12R0.5 CCCCCCOCCCCOC 34a_100000740925_100000210314 [1,1,0,0,0,0|1,0,1]=4 9108 B12R0.5 CCCCCCOCCCCOC 7a_100000210259_100000730899 [1,1,0,0,0,0|1,0,1]=4 9109 B12R0.5 CCCCCCOCCCCSC 34a_100011217163_100000210314 [1,1,0,0,0,0|2,0,0]=4 9110 B12R0.5 CCCCCCOCCCCSC 7a_100011217163_100000210314 [1,1,0,0,0,0|2,0,0]=4 9111 B12R0.5 CCCCCCOCCOCC=O 34a_100000691444_200009817547 [1,1,0,0,0,0|1,0,0]=3 9112 B12R0.5 CCCCCCOCCOCC=O 7a_100000691444_200015260668 [1,1,0,0,0,0|1,0,0]=3 9113 B12R0.5 CCCCCCOCCOCCO 34a_100000210259_100000692535 [1,1,0,0,0,0|1,0,1]=4 9114 B12R0.5 CCCCCCOCCOCCO 34a_100000691444_100000211926 [1,1,0,0,0,0|1,0,1]=4 9115 B12R0.5 CCCCCCOCCOCCO 7a_100000210259_100011215305 [1,1,0,0,0,0|1,0,1]=4 9116 B12R0.5 CCCCCCOCCOCCO 7a_100000691444_100000211926 [1,1,0,0,0,0|1,0,1]=4 9117 B12R0.5 CCCCCCSCCCCC#N 62a_100000210314_100000211819 [1,1,0,0,0,0|1,0,1]=4 9118 B12R0.5 CCCCCCSCCCCC#N 62a_100011219923_100000210757 [1,1,0,0,0,0|1,0,1]=4 9119 B12R0.5 CCCCCCSCCCCC=O 62a_100000139335_100000210757 [1,1,0,0,0,0|0,0,0]=2 9120 B12R0.5 CCCCCCSCCCCC=O 62a_100000210314_100000139335 [1,1,0,0,0,0|0,0,0]=2 9121 B12R0.5 CCCCCCSCCCCCC 62a_100000210314_100000210757 [1,1,0,0,0,0|1,0,1]=4 9122 B12R0.5 CCCCCCSCCCCCF 62a_100000210314_100000729378 [1,1,0,0,0,0|1,0,1]=4 9123 B12R0.5 CCCCCCSCCCCCF 62a_100000729378_100000210757 [1,1,0,0,0,0|1,0,1]=4 9124 B12R0.5 CCCCCCSCCCCCO 62a_100000210314_100000746330 [1,1,0,0,0,0|0,0,1]=3 9125 B12R0.5 CCCCCCSCCCCCO 62a_100000746330_100000210757 [1,1,0,0,0,0|0,0,1]=3 9126 B12R0.5 CCCCCCSCCCCOC 62a_100000210314_100000730899 [1,1,0,0,0,0|1,0,1]=4 9127 B12R0.5 CCCCCCSCCCCOC 62a_100000730899_100000210757 [1,1,0,0,0,0|1,0,1]=4 9128 B12R0.5 CCCCCCSCCOCCO 62a_100000210314_100011215305 [1,1,0,0,0,0|1,0,1]=4 9129 B12R0.5 CCCCCCSCCOCCO 62a_100011215305_100000210757 [1,1,0,0,0,0|1,0,1]=4 9130 B12R0.5 CCCCCNCCCCCC#N 2230a_100000209983_100009813376 [1,1,0,0,0,0|1,0,1]=4 9131 B12R0.5 CCCCCNCCCCCC=O 2230a_100000209983_100000139337 [1,1,0,0,0,0|0,0,0]=2 9132 B12R0.5 CCCCCNCCCCCCF 2230a_100000209983_100015922095 [1,1,0,0,0,0|1,0,1]=4 9133 B12R0.5 CCCCCNCCCCCCO 2230a_100000209983_100000766143 [1,1,0,0,0,0|0,0,1]=3 9134 B12R0.5 CCCCCNCCCCCCO 2230a_100000686447_100000210326 [1,1,0,0,0,0|0,0,1]=3 9135 B12R0.5 CCCCCNCCCCCCO 34a_100000686447_100000718602 [1,1,0,0,0,0|0,0,1]=3 9136 B12R0.5 CCCCCNCCCCCOC 2230a_100000747528_100000210326 [1,1,0,0,0,0|1,0,1]=4 9137 B12R0.5 CCCCCNCCCCCOC 34a_100000747528_100000718602 [1,1,0,0,0,0|1,0,1]=4 9138 B12R0.5 CCCCCNCCOCCCO 34a_100000224656_100000230001 [1,1,0,0,0,0|1,0,1]=4 9139 B12R0.5 CCCCCOCCCCCC#N 7a_100000210253_100009813376 [1,1,0,0,0,0|1,0,1]=4 9140 B12R0.5 CCCCCOCCCCCC=O 7a_100000210253_100000139337 [1,1,0,0,0,0|0,0,0]=2 9141 B12R0.5 CCCCCOCCCCCCBr 34a_100011215345_100000718602 [1,1,0,0,0,0|1,0,1]=4 9142 B12R0.5 CCCCCOCCCCCCBr 7a_100011215345_100000210326 [1,1,0,0,0,0|1,0,1]=4 9143 B12R0.5 CCCCCOCCCCCCCl 34a_100000766143_100000718602 [1,1,0,0,0,0|1,0,1]=4 9144 B12R0.5 CCCCCOCCCCCCCl 7a_100000766143_100000210326 [1,1,0,0,0,0|1,0,1]=4 9145 B12R0.5 CCCCCOCCCCCCF 34a_100000210253_100015922095 [1,1,0,0,0,0|1,0,1]=4 9146 B12R0.5 CCCCCOCCCCCCF 34a_100000732779_100000718602 [1,1,0,0,0,0|1,0,1]=4 9147 B12R0.5 CCCCCOCCCCCCF 7a_100000210253_100015922095 [1,1,0,0,0,0|1,0,1]=4 9148 B12R0.5 CCCCCOCCCCCCF 7a_100000732779_100000210326 [1,1,0,0,0,0|1,0,1]=4 9149 B12R0.5 CCCCCOCCCCCCN 34a_100000686447_100000718602 [1,1,0,0,0,0|1,0,1]=4 9150 B12R0.5 CCCCCOCCCCCCO 34a_100000210253_100000766143 [1,1,0,0,0,0|0,0,1]=3 9151 B12R0.5 CCCCCOCCCCCCO 7a_100000210253_100000766143 [1,1,0,0,0,0|0,0,1]=3 9152 B12R0.5 CCCCCOCCCCCNC 34a_100000722520_100000718602 [1,1,0,0,0,0|2,0,0]=4 9153 B12R0.5 CCCCCOCCOCCCO 34a_100011215259_100000230001 [1,1,0,0,0,0|1,0,1]=4 9154 B12R0.5 CCCCCOCCOCCCO 7a_100011215259_100011215043 [1,1,0,0,0,0|1,0,1]=4 9155 B12R0.5 CCCCCSCCCCCC#N 62a_100000210326_100009813376 [1,1,0,0,0,0|1,0,1]=4 9156 B12R0.5 CCCCCSCCCCCC#N 62a_100009813376_100000210326 [1,1,0,0,0,0|1,0,1]=4 9157 B12R0.5 CCCCCSCCCCCC=O 62a_100000139337_100000210326 [1,1,0,0,0,0|0,0,0]=2 9158 B12R0.5 CCCCCSCCCCCC=O 62a_100000210326_100000139337 [1,1,0,0,0,0|0,0,0]=2 9159 B12R0.5 CCCCCSCCCCCCF 62a_100000210326_100015922095 [1,1,0,0,0,0|1,0,1]=4 9160 B12R0.5 CCCCCSCCCCCCF 62a_100015922095_100000210326 [1,1,0,0,0,0|1,0,1]=4 9161 B12R0.5 CCCCCSCCCCCCO 62a_100000210326_100000766143 [1,1,0,0,0,0|0,0,1]=3 9162 B12R0.5 CCCCCSCCCCCCO 62a_100000766143_100000210326 [1,1,0,0,0,0|0,0,1]=3 9163 B12R0.5 CCCCNCCCCCCC#N 2230a_100000102301_100009813337 [1,1,0,0,0,0|1,0,1]=4 9164 B12R0.5 CCCCNCCCCCCC#N 7a_106832991798_100009813337 [1,1,0,0,0,0|1,0,1]=4 9165 B12R0.5 CCCCNCCCCCCCO 2230a_100000102301_100000760002 [1,1,0,0,0,0|0,0,1]=3 9166 B12R0.5 CCCCNCCCCCCCO 2230a_100011996573_100000210211 [1,1,0,0,0,0|0,0,1]=3 9167 B12R0.5 CCCCNCCCCCCCO 34a_100011996573_100000210210 [1,1,0,0,0,0|0,0,1]=3 9168 B12R0.5 CCCCNCCCCCCCO 7a_106832991798_100000760002 [1,1,0,0,0,0|0,0,1]=3 9169 B12R0.5 CCCCNCCCCCCOC 2230a_100000102301_100011998445 [1,1,0,0,0,0|1,0,1]=4 9170 B12R0.5 CCCCNCCCCCCOC 7a_106832991798_100011998445 [1,1,0,0,0,0|1,0,1]=4 9171 B12R0.5 CCCCNCCCCOCC=O 34a_200011216965_200009817547 [1,1,0,0,0,0|1,0,0]=3 9172 B12R0.5 CCCCNCCCCOCCO 34a_200011216965_100000211926 [1,1,0,0,0,0|1,0,1]=4 9173 B12R0.5 CCCCNCCCOCCCO 2230a_100011310245_100000210211 [1,1,0,0,0,0|1,0,1]=4 9174 B12R0.5 CCCCNCCCOCCCO 34a_100011310245_100000210210 [1,1,0,0,0,0|1,0,1]=4 9175 B12R0.5 CCCCOCCCCCCC#N 7a_100000210227_100009813337 [1,1,0,0,0,0|1,0,1]=4 9176 B12R0.5 CCCCOCCCCCCCBr 34a_100000760002_100000210210 [1,1,0,0,0,0|1,0,1]=4 9177 B12R0.5 CCCCOCCCCCCCBr 7a_100000760002_100000210211 [1,1,0,0,0,0|1,0,1]=4 9178 B12R0.5 CCCCOCCCCCCCN 34a_100011996573_100000210210 [1,1,0,0,0,0|1,0,1]=4 9179 B12R0.5 CCCCOCCCCCCCO 34a_100000210227_100000760002 [1,1,0,0,0,0|0,0,1]=3 9180 B12R0.5 CCCCOCCCCCCCO 7a_100000210227_100000760002 [1,1,0,0,0,0|0,0,1]=3 9181 B12R0.5 CCCCOCCCCCCOC 34a_100000210227_100011998445 [1,1,0,0,0,0|1,0,1]=4 9182 B12R0.5 CCCCOCCCCCCOC 34a_200012092642_100000210210 [1,1,0,0,0,0|1,0,1]=4 9183 B12R0.5 CCCCOCCCCCCOC 7a_100000210227_100011998445 [1,1,0,0,0,0|1,0,1]=4 9184 B12R0.5 CCCCOCCCCCCOC 7a_200012092642_100000210211 [1,1,0,0,0,0|1,0,1]=4 9185 B12R0.5 CCCCOCCCCOCC=O 34a_200000760531_200009817547 [1,1,0,0,0,0|1,0,0]=3 9186 B12R0.5 CCCCOCCCCOCC=O 7a_200000760531_200015260668 [1,1,0,0,0,0|1,0,0]=3 9187 B12R0.5 CCCCOCCCCOCCO 34a_200000760531_100000211926 [1,1,0,0,0,0|1,0,1]=4 9188 B12R0.5 CCCCOCCCCOCCO 7a_200000760531_100000211926 [1,1,0,0,0,0|1,0,1]=4 9189 B12R0.5 CCCCOCCCNCCCO 2230a_200000211371_100000230001 [1,1,0,0,0,0|1,0,1]=4 9190 B12R0.5 CCCCOCCCNCCCO 34a_200000211371_100000230001 [1,1,0,0,0,0|1,0,1]=4 9191 B12R0.5 CCCCOCCCOCCCO 34a_200011215613_100000230001 [1,1,0,0,0,0|1,0,1]=4 9192 B12R0.5 CCCCOCCCOCCCO 7a_200011215613_100011215043 [1,1,0,0,0,0|1,0,1]=4 9193 B12R0.5 CCCCOCCNCCCCO 2230a_100000750430_100000743108 [1,1,0,0,0,0|1,0,1]=4 9194 B12R0.5 CCCCOCCNCCCCO 34a_100000750430_100000743108 [1,1,0,0,0,0|1,0,1]=4 9195 B12R0.5 CCCCOCCOCCCC=O 7a_100000210238_200011292268 [1,1,0,0,0,0|1,0,0]=3 9196 B12R0.5 CCCCOCCOCCCCO 34a_100000210238_100011216708 [1,1,0,0,0,0|1,0,1]=4 9197 B12R0.5 CCCCOCCOCCCCO 7a_100000210238_100000210776 [1,1,0,0,0,0|1,0,1]=4 9198 B12R0.5 CCCCOCCSCCCC=O 62a_100000743108_200011292268 [1,1,0,0,0,0|1,0,0]=3 9199 B12R0.5 CCCCOCCSCCCC=O 62a_200011292268_100000743108 [1,1,0,0,0,0|1,0,0]=3 9200 B12R0.5 CCCCOCCSCCCCO 62a_100000210776_100000743108 [1,1,0,0,0,0|1,0,1]=4 9201 B12R0.5 CCCCOCCSCCCCO 62a_100000743108_100000210776 [1,1,0,0,0,0|1,0,1]=4 9202 B12R0.5 CCCCOCNCCCCCO 2230a_100000762737_100011995733 [1,1,0,0,0,0|1,0,1]=4 9203 B12R0.5 CCCCOCNCCCCCO 34a_100000762737_100011995733 [1,1,0,0,0,0|1,0,1]=4 9204 B12R0.5 CCCCOCSCCCCC=O 62a_100000139335_100011995733 [1,1,0,0,0,0|1,0,0]=3 9205 B12R0.5 CCCCOCSCCCCC=O 62a_100011995733_100000139335 [1,1,0,0,0,0|1,0,0]=3 9206 B12R0.5 CCCCOCSCCCCCO 62a_100000746330_100011995733 [1,1,0,0,0,0|1,0,1]=4 9207 B12R0.5 CCCCOCSCCCCCO 62a_100011995733_100000746330 [1,1,0,0,0,0|1,0,1]=4 9208 B12R0.5 CCCCSCCCCCCC#N 62a_100000210211_100009813337 [1,1,0,0,0,0|1,0,1]=4 9209 B12R0.5 CCCCSCCCCCCC#N 62a_100009813337_100000210210 [1,1,0,0,0,0|1,0,1]=4 9210 B12R0.5 CCCCSCCCCCCCO 62a_100000210211_100000760002 [1,1,0,0,0,0|0,0,1]=3 9211 B12R0.5 CCCCSCCCCCCCO 62a_100000760002_100000210210 [1,1,0,0,0,0|0,0,1]=3 9212 B12R0.5 CCCCSCCCCCCOC 62a_100000210211_100011998445 [1,1,0,0,0,0|1,0,1]=4 9213 B12R0.5 CCCCSCCCCCCOC 62a_100011998445_100000210210 [1,1,0,0,0,0|1,0,1]=4 9214 B12R0.5 CCCCSCCNCCCC=O 2230a_100025743550_200011292268 [1,1,0,0,0,0|1,0,0]=3 9215 B12R0.5 CCCCSCCNCCCCO 2230a_100025743550_100000210776 [1,1,0,0,0,0|1,0,1]=4 9216 B12R0.5 CCCCSCCOCCCC=O 7a_200000230436_200011292268 [1,1,0,0,0,0|1,0,0]=3 9217 B12R0.5 CCCCSCCOCCCCO 34a_200000230436_100011216708 [1,1,0,0,0,0|1,0,1]=4 9218 B12R0.5 CCCCSCCOCCCCO 7a_200000230436_100000210776 [1,1,0,0,0,0|1,0,1]=4 9219 B12R0.5 CCCNCCCCCCCCO 2230a_102515433106_100000210303 [1,1,0,0,0,0|0,0,1]=3 9220 B12R0.5 CCCNCCCCCCCCO 34a_102515433106_100000210303 [1,1,0,0,0,0|0,0,1]=3 9221 B12R0.5 CCCOCCCCCCCCBr 34a_100009813846_100000210303 [1,1,0,0,0,0|1,0,1]=4 9222 B12R0.5 CCCOCCCCCCCCBr 7a_100009813846_100000210303 [1,1,0,0,0,0|1,0,1]=4 9223 B12R0.5 CCCOCCCCCCCCCl 34a_100000033203_100000210303 [1,1,0,0,0,0|1,0,1]=4 9224 B12R0.5 CCCOCCCCCCCCCl 7a_100000033203_100000210303 [1,1,0,0,0,0|1,0,1]=4 9225 B12R0.5 CCCOCCCCCCCCN 34a_102515433106_100000210303 [1,1,0,0,0,0|1,0,1]=4 9226 B12R0.5 CCCOCCCCCCCCO 34a_100000210258_100000033203 [1,1,0,0,0,0|0,0,1]=3 9227 B12R0.5 CCCOCCCNCCCC=O 2230a_100011217757_200011292268 [1,1,0,0,0,0|1,0,0]=3 9228 B12R0.5 CCCOCCCNCCCCO 2230a_100011217757_100000210776 [1,1,0,0,0,0|1,0,1]=4 9229 B12R0.5 CCCOCCCNCCCCO 34a_100011217757_100011216708 [1,1,0,0,0,0|1,0,1]=4 9230 B12R0.5 CCCOCCNCCCCC=O 2230a_100161115042_100000139335 [1,1,0,0,0,0|1,0,0]=3 9231 B12R0.5 CCCOCCNCCCCCO 2230a_100000762737_100011215938 [1,1,0,0,0,0|1,0,1]=4 9232 B12R0.5 CCCOCCNCCCCCO 2230a_100161115042_100000746330 [1,1,0,0,0,0|1,0,1]=4 9233 B12R0.5 CCCOCCNCCCCCO 34a_100000762737_100011215938 [1,1,0,0,0,0|1,0,1]=4 9234 B12R0.5 CCCOCCNCCCCCO 34a_100161115042_100000746330 [1,1,0,0,0,0|1,0,1]=4 9235 B12R0.5 CCCOCCOCCCCC=O 7a_100000752267_100000139335 [1,1,0,0,0,0|1,0,0]=3 9236 B12R0.5 CCCOCCOCCCCCO 34a_100000752267_100000746330 [1,1,0,0,0,0|1,0,1]=4 9237 B12R0.5 CCCOCCOCCCCCO 7a_100000752267_100000746330 [1,1,0,0,0,0|1,0,1]=4 9238 B12R0.5 CCCOCCOCCNCC=O 2230a_200011904461_200015260668 [1,1,0,0,0,0|2,0,0]=4 9239 B12R0.5 CCCOCCOCCNCC=O 34a_200011904461_200009817547 [1,1,0,0,0,0|2,0,0]=4 9240 B12R0.5 CCCOCCSCCCCC=O 62a_100000139335_100011215938 [1,1,0,0,0,0|1,0,0]=3 9241 B12R0.5 CCCOCCSCCCCC=O 62a_100011215938_100000139335 [1,1,0,0,0,0|1,0,0]=3 9242 B12R0.5 CCCOCCSCCCCCO 62a_100000746330_100011215938 [1,1,0,0,0,0|1,0,1]=4 9243 B12R0.5 CCCOCCSCCCCCO 62a_100011215938_100000746330 [1,1,0,0,0,0|1,0,1]=4 9244 B12R0.5 CCCSCCCCCCCCO 62a_100000033203_100000210303 [1,1,0,0,0,0|0,0,1]=3 9245 B12R0.5 CCCSCCCCCCCCO 62a_100000210303_100000033203 [1,1,0,0,0,0|0,0,1]=3 9246 B12R0.5 CCCSCCNCCCCC=O 2230a_100020603323_100000139335 [1,1,0,0,0,0|1,0,0]=3 9247 B12R0.5 CCCSCCNCCCCCO 2230a_100020603323_100000746330 [1,1,0,0,0,0|1,0,1]=4 9248 B12R0.5 CCCSCCOCCCCC=O 7a_200000230433_100000139335 [1,1,0,0,0,0|1,0,0]=3 9249 B12R0.5 CCCSCCOCCCCCO 34a_200000230433_100000746330 [1,1,0,0,0,0|1,0,1]=4 9250 B12R0.5 CCCSCCOCCCCCO 7a_200000230433_100000746330 [1,1,0,0,0,0|1,0,1]=4 9251 B12R0.5 CCNCCCCCCCCCO 2230a_100000078944_100000210202 [1,1,0,0,0,0|0,0,1]=3 9252 B12R0.5 CCNCCCCCCCCCO 2230a_100015525214_100009813782 [1,1,0,0,0,0|0,0,1]=3 9253 B12R0.5 CCNCCCCCCCCCO 34a_100000078944_100000210202 [1,1,0,0,0,0|0,0,1]=3 9254 B12R0.5 CCOCCCCCCCCCBr 34a_100009813782_100000210202 [1,1,0,0,0,0|1,0,1]=4 9255 B12R0.5 CCOCCCCCCCCCBr 7a_100009813782_100000210202 [1,1,0,0,0,0|1,0,1]=4 9256 B12R0.5 CCOCCCCCCCCCCl 34a_100009868337_100000210202 [1,1,0,0,0,0|1,0,1]=4 9257 B12R0.5 CCOCCCCCCCCCCl 7a_100009868337_100000210202 [1,1,0,0,0,0|1,0,1]=4 9258 B12R0.5 CCOCCCCCCCCCN 34a_100000078944_100000210202 [1,1,0,0,0,0|1,0,1]=4 9259 B12R0.5 CCOCCCCCCCCCO 34a_100121572206_100009813782 [1,1,0,0,0,0|0,0,1]=3 9260 B12R0.5 CCOCCCNCCCCC=O 2230a_100000210961_100000139335 [1,1,0,0,0,0|1,0,0]=3 9261 B12R0.5 CCOCCCNCCCCCO 2230a_100000210961_100000746330 [1,1,0,0,0,0|1,0,1]=4 9262 B12R0.5 CCOCCCNCCCCCO 2230a_100000762737_100012232248 [1,1,0,0,0,0|1,0,1]=4 9263 B12R0.5 CCOCCCNCCCCCO 34a_100000210961_100000746330 [1,1,0,0,0,0|1,0,1]=4 9264 B12R0.5 CCOCCCNCCCCCO 34a_100000762737_100012232248 [1,1,0,0,0,0|1,0,1]=4 9265 B12R0.5 CCOCCCOCCCCC=O 7a_100000757476_100000139335 [1,1,0,0,0,0|1,0,0]=3 9266 B12R0.5 CCOCCCOCCCCCO 34a_100000757476_100000746330 [1,1,0,0,0,0|1,0,1]=4 9267 B12R0.5 CCOCCCOCCCCCO 7a_100000757476_100000746330 [1,1,0,0,0,0|1,0,1]=4 9268 B12R0.5 CCOCCCSCCCCC=O 62a_100000139335_100012232248 [1,1,0,0,0,0|1,0,0]=3 9269 B12R0.5 CCOCCCSCCCCC=O 62a_100012232248_100000139335 [1,1,0,0,0,0|1,0,0]=3 9270 B12R0.5 CCOCCCSCCCCCO 62a_100000746330_100012232248 [1,1,0,0,0,0|1,0,1]=4 9271 B12R0.5 CCOCCCSCCCCCO 62a_100012232248_100000746330 [1,1,0,0,0,0|1,0,1]=4 9272 B12R0.5 CCOCCNCCCCCC=O 2230a_102516460346_100000139337 [1,1,0,0,0,0|1,0,0]=3 9273 B12R0.5 CCOCCNCCCCCCO 2230a_100000686447_100011215890 [1,1,0,0,0,0|1,0,1]=4 9274 B12R0.5 CCOCCNCCCCCCO 2230a_102516460346_100000766143 [1,1,0,0,0,0|1,0,1]=4 9275 B12R0.5 CCOCCNCCCCCCO 34a_100000686447_100000210147 [1,1,0,0,0,0|1,0,1]=4 9276 B12R0.5 CCOCCNCCCCCCO 34a_102516460346_100000766143 [1,1,0,0,0,0|1,0,1]=4 9277 B12R0.5 CCOCCOCCCCCC=O 7a_100000210136_100000139337 [1,1,0,0,0,0|1,0,0]=3 9278 B12R0.5 CCOCCOCCCCCCO 34a_100000210136_100000766143 [1,1,0,0,0,0|1,0,1]=4 9279 B12R0.5 CCOCCOCCCCCCO 7a_100000210136_100000766143 [1,1,0,0,0,0|1,0,1]=4 9280 B12R0.5 CCOCCSCCCCCC=O 62a_100000139337_100011215890 [1,1,0,0,0,0|1,0,0]=3 9281 B12R0.5 CCOCCSCCCCCC=O 62a_100000210147_100000139337 [1,1,0,0,0,0|1,0,0]=3 9282 B12R0.5 CCOCCSCCCCCCO 62a_100000210147_100000766143 [1,1,0,0,0,0|1,0,1]=4 9283 B12R0.5 CCOCCSCCCCCCO 62a_100000766143_100011215890 [1,1,0,0,0,0|1,0,1]=4 9284 B12R0.5 CCOCSCCCCCCCO 62a_100000739092_100000760002 [1,1,0,0,0,0|1,0,1]=4 9285 B12R0.5 CCOCSCCCCCCCO 62a_100000760002_100000739092 [1,1,0,0,0,0|1,0,1]=4 9286 B12R0.5 CCSCCCCCCCCCO 62a_100000210202_100009813782 [1,1,0,0,0,0|0,0,1]=3 9287 B12R0.5 CCSCCCCCCCCCO 62a_100009813782_100000210202 [1,1,0,0,0,0|0,0,1]=3 9288 B12R0.5 CCSCCCOCCCCC=O 7a_100011216438_100000139335 [1,1,0,0,0,0|1,0,0]=3 9289 B12R0.5 CCSCCCOCCCCCO 34a_100011216438_100000746330 [1,1,0,0,0,0|1,0,1]=4 9290 B12R0.5 CCSCCCOCCCCCO 7a_100011216438_100000746330 [1,1,0,0,0,0|1,0,1]=4 9291 B12R0.5 CCSCCNCCCCCC=O 2230a_100000106463_100000139337 [1,1,0,0,0,0|1,0,0]=3 9292 B12R0.5 CCSCCNCCCCCCO 2230a_100000106463_100000766143 [1,1,0,0,0,0|1,0,1]=4 9293 B12R0.5 CCSCCNCCCCCCO 2230a_100000686447_100000757381 [1,1,0,0,0,0|1,0,1]=4 9294 B12R0.5 CCSCCNCCCCCCO 34a_100000686447_100000757381 [1,1,0,0,0,0|1,0,1]=4 9295 B12R0.5 CCSCCOCCCCCC=O 7a_100000212035_100000139337 [1,1,0,0,0,0|1,0,0]=3 9296 B12R0.5 CCSCCOCCCCCCO 34a_100000212035_100000766143 [1,1,0,0,0,0|1,0,1]=4 9297 B12R0.5 CCSCCOCCCCCCO 7a_100000212035_100000766143 [1,1,0,0,0,0|1,0,1]=4 9298 B12R0.5 CCSCCSCCCCCC=O 62a_100000139337_100000757381 [1,1,0,0,0,0|1,0,0]=3 9299 B12R0.5 CCSCCSCCCCCC=O 62a_100000757381_100000139337 [1,1,0,0,0,0|1,0,0]=3 9300 B12R0.5 CCSCCSCCCCCCO 62a_100000757381_100000766143 [1,1,0,0,0,0|1,0,1]=4 9301 B12R0.5 CCSCCSCCCCCCO 62a_100000766143_100000757381 [1,1,0,0,0,0|1,0,1]=4 9302 B12R0.5 CNCCCCCCCCCCO 2230a_100000066964_200000210301 [1,1,0,0,0,0|0,0,1]=3 9303 B12R0.5 CNCCCCCCCCCCO 2230a_106832991635_100009813290 [1,1,0,0,0,0|0,0,1]=3 9304 B12R0.5 CNCCCCCCCCCCO 34a_100000066964_200000210301 [1,1,0,0,0,0|0,0,1]=3 9305 B12R0.5 CNCCCCCCCCCCO 34a_100102657272_100009813290 [1,1,0,0,0,0|0,0,1]=3 9306 B12R0.5 CNCCCCCCCCCCO 7a_106832991635_100009813290 [1,1,0,0,0,0|0,0,1]=3 9307 B12R0.5 CNCCCCCOCCCCO 34a_100000722520_100011216708 [1,1,0,0,0,0|1,0,1]=4 9308 B12R0.5 CNCCCOCCCCCCO 34a_100000213112_100000766143 [1,1,0,0,0,0|1,0,1]=4 9309 B12R0.5 COCCCCCCCCCCBr 34a_100009813290_200000210301 [1,1,0,0,0,0|1,0,1]=4 9310 B12R0.5 COCCCCCCCCCCBr 7a_100009813290_200000210301 [1,1,0,0,0,0|1,0,1]=4 9311 B12R0.5 COCCCCCCCCCCCl 34a_200000033068_200000210301 [1,1,0,0,0,0|1,0,1]=4 9312 B12R0.5 COCCCCCCCCCCCl 7a_200000033068_200000210301 [1,1,0,0,0,0|1,0,1]=4 9313 B12R0.5 COCCCCCCCCCCN 34a_100000066964_200000210301 [1,1,0,0,0,0|1,0,1]=4 9314 B12R0.5 COCCCCCCCCCCO 34a_100138415774_100009813290 [1,1,0,0,0,0|0,0,1]=3 9315 B12R0.5 COCCCCCCOCCCO 34a_200012092642_100000230001 [1,1,0,0,0,0|1,0,1]=4 9316 B12R0.5 COCCCCCCOCCCO 7a_200012092642_100011215043 [1,1,0,0,0,0|1,0,1]=4 9317 B12R0.5 COCCCCCCSCCCO 62a_100011215043_100011998445 [1,1,0,0,0,0|1,0,1]=4 9318 B12R0.5 COCCCCCCSCCCO 62a_100011998445_100011215043 [1,1,0,0,0,0|1,0,1]=4 9319 B12R0.5 COCCCCCNCCCC=O 2230a_100000747528_200011292268 [1,1,0,0,0,0|1,0,0]=3 9320 B12R0.5 COCCCCCNCCCCO 2230a_100000747528_100000210776 [1,1,0,0,0,0|1,0,1]=4 9321 B12R0.5 COCCCCCNCCCCO 34a_100000747528_100011216708 [1,1,0,0,0,0|1,0,1]=4 9322 B12R0.5 COCCCCNCCCCCO 2230a_100000762737_100000730899 [1,1,0,0,0,0|1,0,1]=4 9323 B12R0.5 COCCCCNCCCCCO 34a_100000762737_100000755781 [1,1,0,0,0,0|1,0,1]=4 9324 B12R0.5 COCCCCOCCCCCO 34a_100000740925_100000746330 [1,1,0,0,0,0|1,0,1]=4 9325 B12R0.5 COCCCCSCCCCC=O 62a_100000139335_100000730899 [1,1,0,0,0,0|1,0,0]=3 9326 B12R0.5 COCCCCSCCCCC=O 62a_100000730899_100000139335 [1,1,0,0,0,0|1,0,0]=3 9327 B12R0.5 COCCCCSCCCCCO 62a_100000730899_100000746330 [1,1,0,0,0,0|1,0,1]=4 9328 B12R0.5 COCCCCSCCCCCO 62a_100000746330_100000730899 [1,1,0,0,0,0|1,0,1]=4 9329 B12R0.5 COCCCNCCCCCCO 2230a_100000686447_100000740836 [1,1,0,0,0,0|1,0,1]=4 9330 B12R0.5 COCCCNCCCCCCO 34a_100000686447_100000740836 [1,1,0,0,0,0|1,0,1]=4 9331 B12R0.5 COCCCNCCCCCCO 34a_100150723488_100000766143 [1,1,0,0,0,0|1,0,1]=4 9332 B12R0.5 COCCCOCCCCCCO 34a_100000740835_100000766143 [1,1,0,0,0,0|1,0,1]=4 9333 B12R0.5 COCCCOCCCOCC=O 34a_200011215475_200009817547 [1,1,0,0,0,0|2,0,0]=4 9334 B12R0.5 COCCCOCCCOCC=O 7a_200011215475_200015260668 [1,1,0,0,0,0|2,0,0]=4 9335 B12R0.5 COCCCSCCCCCC=O 62a_100000139337_100000709357 [1,1,0,0,0,0|1,0,0]=3 9336 B12R0.5 COCCCSCCCCCC=O 62a_100000709357_100000139337 [1,1,0,0,0,0|1,0,0]=3 9337 B12R0.5 COCCCSCCCCCCO 62a_100000709357_100000766143 [1,1,0,0,0,0|1,0,1]=4 9338 B12R0.5 COCCCSCCCCCCO 62a_100000766143_100000709357 [1,1,0,0,0,0|1,0,1]=4 9339 B12R0.5 COCCNCCCCCCCO 2230a_100000209980_100000760002 [1,1,0,0,0,0|1,0,1]=4 9340 B12R0.5 COCCNCCCCCCCO 2230a_100011996573_100011201679 [1,1,0,0,0,0|1,0,1]=4 9341 B12R0.5 COCCNCCCCCCCO 34a_100011996573_100011201679 [1,1,0,0,0,0|1,0,1]=4 9342 B12R0.5 COCCOCCCCCCCO 34a_100000210237_100000760002 [1,1,0,0,0,0|1,0,1]=4 9343 B12R0.5 COCCOCCNCCCC=O 2230a_100000745349_200011292268 [1,1,0,0,0,0|2,0,0]=4 9344 B12R0.5 COCCOCCOCCCC=O 7a_100011215163_200011292268 [1,1,0,0,0,0|2,0,0]=4 9345 B12R0.5 COCCOCCSCCCC=O 62a_100000695917_200011292268 [1,1,0,0,0,0|2,0,0]=4 9346 B12R0.5 COCCOCCSCCCC=O 62a_200011292268_100000695917 [1,1,0,0,0,0|2,0,0]=4 9347 B12R0.5 COCCOCSCCCCC=O 62a_100000139335_100000231047 [1,1,0,0,0,0|2,0,0]=4 9348 B12R0.5 COCCOCSCCCCC=O 62a_100000231047_100000139335 [1,1,0,0,0,0|2,0,0]=4 9349 B12R0.5 COCCSCCCCCCCO 62a_100000233755_100000760002 [1,1,0,0,0,0|1,0,1]=4 9350 B12R0.5 COCCSCCCCCCCO 62a_100000760002_100000233755 [1,1,0,0,0,0|1,0,1]=4 9351 B12R0.5 COCNCCCCCCCCO 2230a_102515433106_100000766300 [1,1,0,0,0,0|1,0,1]=4 9352 B12R0.5 COCSCCCCCCCCO 62a_100000033203_100000766300 [1,1,0,0,0,0|1,0,1]=4 9353 B12R0.5 COCSCCCCCCCCO 62a_100000766300_100000033203 [1,1,0,0,0,0|1,0,1]=4 9354 B12R0.5 CSCCCCCCCCCCO 62a_100009813290_200000210301 [1,1,0,0,0,0|0,0,1]=3 9355 B12R0.5 CSCCCCCCCCCCO 62a_200000210301_200000033068 [1,1,0,0,0,0|0,0,1]=3 9356 B12R0.5 CSCCCCOCCCCC=O 7a_100011217163_100000139335 [1,1,0,0,0,0|1,0,0]=3 9357 B12R0.5 CSCCCCOCCCCCO 34a_100011217163_100000746330 [1,1,0,0,0,0|1,0,1]=4 9358 B12R0.5 CSCCCCOCCCCCO 7a_100011217163_100000746330 [1,1,0,0,0,0|1,0,1]=4 9359 B12R0.5 CSCCCNCCCCCC=O 2230a_100000749238_100000139337 [1,1,0,0,0,0|1,0,0]=3 9360 B12R0.5 CSCCCNCCCCCCO 2230a_100000749238_100000766143 [1,1,0,0,0,0|1,0,1]=4 9361 B12R0.5 CSCCCOCCCCCC=O 7a_100000690336_100000139337 [1,1,0,0,0,0|1,0,0]=3 9362 B12R0.5 CSCCCOCCCCCCO 34a_100000690336_100000766143 [1,1,0,0,0,0|1,0,1]=4 9363 B12R0.5 CSCCCOCCCCCCO 7a_100000690336_100000766143 [1,1,0,0,0,0|1,0,1]=4 9364 B12R0.5 CSCCNCCCCCCCO 2230a_100011996573_100000751147 [1,1,0,0,0,0|1,0,1]=4 9365 B12R0.5 CSCCNCCCCCCCO 2230a_100020590264_100000760002 [1,1,0,0,0,0|1,0,1]=4 9366 B12R0.5 CSCCNCCCCCCCO 34a_100011996573_100000212216 [1,1,0,0,0,0|1,0,1]=4 9367 B12R0.5 CSCCOCCCCCCCO 34a_100000230434_100000760002 [1,1,0,0,0,0|1,0,1]=4 9368 B12R0.5 CSCCOCCCCCCCO 7a_100000230434_100000760002 [1,1,0,0,0,0|1,0,1]=4 9369 B12R0.5 CSCCSCCCCCCCO 62a_100000212216_100000760002 [1,1,0,0,0,0|1,0,1]=4 9370 B12R0.5 CSCCSCCCCCCCO 62a_100000760002_100000751147 [1,1,0,0,0,0|1,0,1]=4 9371 B12R0.5 CSCNCCCCCCCCO 2230a_102515433106_100011218213 [1,1,0,0,0,0|1,0,1]=4 9372 B12R0.5 CSCNCCCCCCCCO 34a_102515433106_100011218213 [1,1,0,0,0,0|1,0,1]=4 9373 B12R0.5 CSCSCCCCCCCCO 62a_100000033203_100011218213 [1,1,0,0,0,0|1,0,1]=4 9374 B12R0.5 CSCSCCCCCCCCO 62a_100011218213_100000033203 [1,1,0,0,0,0|1,0,1]=4 9375 B12R0.5 N#CCCCCCSCCCC=O 62a_100009813376_200011292268 [1,1,0,0,0,0|1,0,1]=4 9376 B12R0.5 N#CCCCCCSCCCC=O 62a_200011292268_100009813376 [1,1,0,0,0,0|1,0,1]=4 9377 B12R0.5 N#CCCCCSCCCCC=O 62a_100000139335_100000211819 [1,1,0,0,0,0|1,0,1]=4 9378 B12R0.5 N#CCCCCSCCCCC=O 62a_100011219923_100000139335 [1,1,0,0,0,0|1,0,1]=4 9379 B12R0.5 N#CCCCSCCCCCC=O 62a_100000139337_100000687738 [1,1,0,0,0,0|1,0,1]=4 9380 B12R0.5 N#CCCCSCCCCCC=O 62a_100000687738_100000139337 [1,1,0,0,0,0|1,0,1]=4 9381 B12R0.5 NCCCCCCCCOCC=O 34a_102515433106_200009817547 [1,1,0,0,0,0|1,0,0]=3 9382 B12R0.5 NCCCCCCCCOCCO 34a_102515433106_100000211926 [1,1,0,0,0,0|1,0,1]=4 9383 B12R0.5 NCCCCCCCOCCCO 34a_100011996573_100000230001 [1,1,0,0,0,0|1,0,1]=4 9384 B12R0.5 NCCCCCCOCCCCO 34a_100000686447_100011216708 [1,1,0,0,0,0|1,0,1]=4 9385 B12R0.5 NCCCCCOCCCCCO 34a_100000762737_100000746330 [1,1,0,0,0,0|1,0,1]=4 9386 B12R0.5 NCCCCOCCCCCCO 34a_100000750430_100000766143 [1,1,0,0,0,0|1,0,1]=4 9387 B12R0.5 NCCCOCCCCCCCO 34a_100000182051_100000760002 [1,1,0,0,0,0|1,0,1]=4 9388 B12R0.5 NCCNCCCCCOCC=O 34a_103619048469_200009817547 [1,1,0,0,0,0|2,0,0]=4 9389 B12R0.5 NCCOCCCCCCCCO 34a_100000210304_100000033203 [1,1,0,0,0,0|1,0,1]=4 9390 B12R0.5 O=CCCCCCNCCCCO 2230a_100000750430_100000139337 [1,1,0,0,0,0|1,0,0]=3 9391 B12R0.5 O=CCCCCCOCCCCCl 7a_100000210776_100000139337 [1,1,0,0,0,0|1,0,0]=3 9392 B12R0.5 O=CCCCCCOCCCCF 7a_100011995726_100000139337 [1,1,0,0,0,0|1,0,0]=3 9393 B12R0.5 O=CCCCCCSCCCC=O 62a_100000139337_200011292268 [1,1,0,0,0,0|1,0,1]=4 9394 B12R0.5 O=CCCCCCSCCCC=O 62a_200011292268_100000139337 [1,1,0,0,0,0|1,0,1]=4 9395 B12R0.5 O=CCCCCCSCCCCF 62a_100000139337_100000729493 [1,1,0,0,0,0|1,0,0]=3 9396 B12R0.5 O=CCCCCCSCCCCF 62a_100000729493_100000139337 [1,1,0,0,0,0|1,0,0]=3 9397 B12R0.5 O=CCCCCCSCCCCO 62a_100000139337_100000210776 [1,1,0,0,0,0|1,0,0]=3 9398 B12R0.5 O=CCCCCCSCCCCO 62a_100000210776_100000139337 [1,1,0,0,0,0|1,0,0]=3 9399 B12R0.5 O=CCCCCNCCCCCO 2230a_100000762737_100000139335 [1,1,0,0,0,0|1,0,0]=3 9400 B12R0.5 O=CCCCCNCCOCCO 2230a_100000211614_100000139335 [1,1,0,0,0,0|2,0,0]=4 9401 B12R0.5 O=CCCCCNCCSCCO 2230a_100011219999_100000139335 [1,1,0,0,0,0|2,0,0]=4 9402 B12R0.5 O=CCCCCOCCCCCBr 7a_100000746331_100000139335 [1,1,0,0,0,0|1,0,0]=3 9403 B12R0.5 O=CCCCCOCCCCCCl 7a_100000746330_100000139335 [1,1,0,0,0,0|1,0,0]=3 9404 B12R0.5 O=CCCCCOCCCCCI 7a_200012148887_100000139335 [1,1,0,0,0,0|1,0,0]=3 9405 B12R0.5 O=CCCCCOCCOCCBr 7a_100000692535_100000139335 [1,1,0,0,0,0|2,0,0]=4 9406 B12R0.5 O=CCCCCOCCOCCCl 7a_100011215305_100000139335 [1,1,0,0,0,0|2,0,0]=4 9407 B12R0.5 O=CCCCCOCCOCCF 7a_200015357709_100000139335 [1,1,0,0,0,0|2,0,0]=4 9408 B12R0.5 O=CCCCCOCCOCCI 7a_100012149058_100000139335 [1,1,0,0,0,0|2,0,0]=4 9409 B12R0.5 O=CCCCCSCCCCC=O 62a_100000139335_100000139335 [1,1,0,0,0,0|1,0,1]=4 9410 B12R0.5 O=CCCCCSCCCCCF 62a_100000139335_100000729378 [1,1,0,0,0,0|1,0,0]=3 9411 B12R0.5 O=CCCCCSCCCCCF 62a_100000729378_100000139335 [1,1,0,0,0,0|1,0,0]=3 9412 B12R0.5 O=CCCCCSCCCCCO 62a_100000139335_100000746330 [1,1,0,0,0,0|1,0,0]=3 9413 B12R0.5 O=CCCCCSCCCCCO 62a_100000746330_100000139335 [1,1,0,0,0,0|1,0,0]=3 9414 B12R0.5 O=CCCCCSCCOCCO 62a_100000139335_100011215305 [1,1,0,0,0,0|2,0,0]=4 9415 B12R0.5 O=CCCCCSCCOCCO 62a_100011215305_100000139335 [1,1,0,0,0,0|2,0,0]=4 9416 B12R0.5 O=CCCCNCCCCCCO 2230a_100000686447_200011292268 [1,1,0,0,0,0|1,0,0]=3 9417 B12R0.5 O=CCCCOCCCCCCBr 7a_100011215345_200011292268 [1,1,0,0,0,0|1,0,0]=3 9418 B12R0.5 O=CCCCOCCCCCCCl 7a_100000766143_200011292268 [1,1,0,0,0,0|1,0,0]=3 9419 B12R0.5 O=CCCCOCCCCCCF 7a_100000732779_200011292268 [1,1,0,0,0,0|1,0,0]=3 9420 B12R0.5 O=CCCCSCCCCCCF 62a_100015922095_200011292268 [1,1,0,0,0,0|1,0,0]=3 9421 B12R0.5 O=CCCCSCCCCCCF 62a_200011292268_100015922095 [1,1,0,0,0,0|1,0,0]=3 9422 B12R0.5 O=CCCCSCCCCCCO 62a_100000766143_200011292268 [1,1,0,0,0,0|1,0,0]=3 9423 B12R0.5 O=CCCCSCCCCCCO 62a_200011292268_100000766143 [1,1,0,0,0,0|1,0,0]=3 9424 B12R0.5 O=CCNCCCCCCCCO 2230a_102515433106_200015260668 [1,1,0,0,0,0|1,0,0]=3 9425 B12R0.5 O=CCNCCCCCCCCO 34a_102515433106_200009817547 [1,1,0,0,0,0|1,0,0]=3 9426 B12R0.5 O=CCOCCCCCCCCBr 34a_100009813846_200009817547 [1,1,0,0,0,0|1,0,0]=3 9427 B12R0.5 O=CCOCCCCCCCCBr 7a_100009813846_200015260668 [1,1,0,0,0,0|1,0,0]=3 9428 B12R0.5 O=CCOCCCCCCCCCl 34a_100000033203_200009817547 [1,1,0,0,0,0|1,0,0]=3 9429 B12R0.5 O=CCOCCCCCCCCCl 7a_100000033203_200015260668 [1,1,0,0,0,0|1,0,0]=3 9430 B12R0.5 O=CCSCCCCCCCCO 62a_100000033203_200015260668 [1,1,0,0,0,0|1,0,0]=3 9431 B12R0.5 O=CCSCCCCCCCCO 62a_200015260668_100000033203 [1,1,0,0,0,0|1,0,0]=3 9432 B12R0.5 OCCCCCCCCCNCF 34a_100000078944_100015361967 [1,1,0,0,0,0|1,0,1]=4 9433 B12R0.5 OCCCCCCCCCSCF 62a_100009813782_100015361967 [1,1,0,0,0,0|1,0,1]=4 9434 B12R0.5 OCCCCCCCCCSCF 62a_100015361967_100009813782 [1,1,0,0,0,0|1,0,1]=4 9435 B12R0.5 OCCCCCCCCNCCF 2230a_102515433106_100011217306 [1,1,0,0,0,0|1,0,1]=4 9436 B12R0.5 OCCCCCCCCNCCF 34a_100000724931_100000033203 [1,1,0,0,0,0|1,0,1]=4 9437 B12R0.5 OCCCCCCCCNCCF 34a_102515433106_100011217306 [1,1,0,0,0,0|1,0,1]=4 9438 B12R0.5 OCCCCCCCCNCCO 2230a_100016997473_100000033203 [1,1,0,0,0,0|1,0,1]=4 9439 B12R0.5 OCCCCCCCCNCCO 2230a_102515433106_100000211926 [1,1,0,0,0,0|1,0,1]=4 9440 B12R0.5 OCCCCCCCCNCCO 34a_100016990907_100000033203 [1,1,0,0,0,0|1,0,1]=4 9441 B12R0.5 OCCCCCCCCNCCO 34a_102515433106_100000211926 [1,1,0,0,0,0|1,0,1]=4 9442 B12R0.5 OCCCCCCCCOCCBr 34a_100000211926_100000033203 [1,1,0,0,0,0|1,0,1]=4 9443 B12R0.5 OCCCCCCCCSCCF 62a_100000033203_100011217306 [1,1,0,0,0,0|1,0,1]=4 9444 B12R0.5 OCCCCCCCCSCCF 62a_100011217306_100000033203 [1,1,0,0,0,0|1,0,1]=4 9445 B12R0.5 OCCCCCCCCSCCO 62a_100000033203_100000211926 [1,1,0,0,0,0|1,0,1]=4 9446 B12R0.5 OCCCCCCCCSCCO 62a_100000211926_100000033203 [1,1,0,0,0,0|1,0,1]=4 9447 B12R0.5 OCCCCCCCNCCCF 2230a_100011996573_100011934791 [1,1,0,0,0,0|1,0,1]=4 9448 B12R0.5 OCCCCCCCNCCCF 2230a_100015189416_100000760002 [1,1,0,0,0,0|1,0,1]=4 9449 B12R0.5 OCCCCCCCNCCCF 34a_100011996573_100011934791 [1,1,0,0,0,0|1,0,1]=4 9450 B12R0.5 OCCCCCCCNCCCF 34a_100015189416_100000760002 [1,1,0,0,0,0|1,0,1]=4 9451 B12R0.5 OCCCCCCCNCCCO 2230a_100011996573_100000230001 [1,1,0,0,0,0|1,0,1]=4 9452 B12R0.5 OCCCCCCCNCCCO 34a_100011996573_100000230001 [1,1,0,0,0,0|1,0,1]=4 9453 B12R0.5 OCCCCCCCOCCCBr 34a_100011217188_100000760002 [1,1,0,0,0,0|1,0,1]=4 9454 B12R0.5 OCCCCCCCOCCCCl 34a_100000230001_100000760002 [1,1,0,0,0,0|1,0,1]=4 9455 B12R0.5 OCCCCCCCOCCCF 34a_100000759539_100000760002 [1,1,0,0,0,0|1,0,1]=4 9456 B12R0.5 OCCCCCCCSCCCF 62a_100000760002_100011934791 [1,1,0,0,0,0|1,0,1]=4 9457 B12R0.5 OCCCCCCCSCCCF 62a_100011934791_100000760002 [1,1,0,0,0,0|1,0,1]=4 9458 B12R0.5 OCCCCCCCSCCCO 62a_100000760002_100011215043 [1,1,0,0,0,0|1,0,1]=4 9459 B12R0.5 OCCCCCCCSCCCO 62a_100011215043_100000760002 [1,1,0,0,0,0|1,0,1]=4 9460 B12R0.5 OCCCCCCNCCCCF 2230a_100000686447_100000729493 [1,1,0,0,0,0|1,0,1]=4 9461 B12R0.5 OCCCCCCNCCCCF 34a_100000686447_100000729493 [1,1,0,0,0,0|1,0,1]=4 9462 B12R0.5 OCCCCCCNCCCCO 2230a_100000686447_100000210776 [1,1,0,0,0,0|1,0,1]=4 9463 B12R0.5 OCCCCCCNCCCCO 2230a_100000750430_100000766143 [1,1,0,0,0,0|1,0,1]=4 9464 B12R0.5 OCCCCCCNCCCCO 34a_100000686447_100011216708 [1,1,0,0,0,0|1,0,1]=4 9465 B12R0.5 OCCCCCCNCCCCO 34a_100000750430_100000766143 [1,1,0,0,0,0|1,0,1]=4 9466 B12R0.5 OCCCCCCOCCCCBr 34a_100011216708_100000766143 [1,1,0,0,0,0|1,0,1]=4 9467 B12R0.5 OCCCCCCOCCCCCl 34a_100000210776_100000766143 [1,1,0,0,0,0|1,0,1]=4 9468 B12R0.5 OCCCCCCOCCCCCl 7a_100000210776_100000766143 [1,1,0,0,0,0|1,0,1]=4 9469 B12R0.5 OCCCCCCOCCCCF 34a_100011995726_100000766143 [1,1,0,0,0,0|1,0,1]=4 9470 B12R0.5 OCCCCCCOCCCCF 7a_100011995726_100000766143 [1,1,0,0,0,0|1,0,1]=4 9471 B12R0.5 OCCCCCCOCCCCI 34a_200012148704_100000766143 [1,1,0,0,0,0|1,0,1]=4 9472 B12R0.5 OCCCCCCSCCCCF 62a_100000729493_100000766143 [1,1,0,0,0,0|1,0,1]=4 9473 B12R0.5 OCCCCCCSCCCCF 62a_100000766143_100000729493 [1,1,0,0,0,0|1,0,1]=4 9474 B12R0.5 OCCCCCCSCCCCO 62a_100000210776_100000766143 [1,1,0,0,0,0|1,0,1]=4 9475 B12R0.5 OCCCCCCSCCCCO 62a_100000766143_100000210776 [1,1,0,0,0,0|1,0,1]=4 9476 B12R0.5 OCCCCCNCCCCCF 2230a_100000762737_100000729378 [1,1,0,0,0,0|1,0,1]=4 9477 B12R0.5 OCCCCCNCCCCCF 34a_100000762737_100000729378 [1,1,0,0,0,0|1,0,1]=4 9478 B12R0.5 OCCCCCNCCCCCO 2230a_100000762737_100000746330 [1,1,0,0,0,0|1,0,1]=4 9479 B12R0.5 OCCCCCNCCCCCO 34a_100000762737_100000746330 [1,1,0,0,0,0|1,0,1]=4 9480 B12R0.5 OCCCCCOCCCCCBr 34a_100000746331_100000746330 [1,1,0,0,0,0|1,0,1]=4 9481 B12R0.5 OCCCCCOCCCCCBr 7a_100000746331_100000746330 [1,1,0,0,0,0|1,0,1]=4 9482 B12R0.5 OCCCCCOCCCCCCl 34a_100000746330_100000746330 [1,1,0,0,0,0|1,0,1]=4 9483 B12R0.5 OCCCCCOCCCCCCl 7a_100000746330_100000746330 [1,1,0,0,0,0|1,0,1]=4 9484 B12R0.5 OCCCCCOCCCCCI 34a_200012148887_100000746330 [1,1,0,0,0,0|1,0,1]=4 9485 B12R0.5 OCCCCCOCCCCCI 7a_200012148887_100000746330 [1,1,0,0,0,0|1,0,1]=4 9486 B12R0.5 OCCCCCSCCCCCF 62a_100000729378_100000746330 [1,1,0,0,0,0|1,0,1]=4 9487 B12R0.5 OCCCCCSCCCCCF 62a_100000746330_100000729378 [1,1,0,0,0,0|1,0,1]=4 9488 B12R0.5 OCCCCCSCCCCCO 62a_100000746330_100000746330 [1,1,0,0,0,0|1,0,1]=4 9489 B12R0.5 OCCCCNCCCCCCF 2230a_100000750430_100015922095 [1,1,0,0,0,0|1,0,1]=4 9490 B12R0.5 OCCCCNCCCCCCF 34a_100000750430_100015922095 [1,1,0,0,0,0|1,0,1]=4 9491 B12R0.5 OCCCCOCCCCCCBr 34a_100011215345_100011216708 [1,1,0,0,0,0|1,0,1]=4 9492 B12R0.5 OCCCCOCCCCCCBr 7a_100011215345_100000210776 [1,1,0,0,0,0|1,0,1]=4 9493 B12R0.5 OCCCCOCCCCCCCl 34a_100000766143_100011216708 [1,1,0,0,0,0|1,0,1]=4 9494 B12R0.5 OCCCCOCCCCCCCl 7a_100000766143_100000210776 [1,1,0,0,0,0|1,0,1]=4 9495 B12R0.5 OCCCCOCCCCCCF 34a_100000732779_100011216708 [1,1,0,0,0,0|1,0,1]=4 9496 B12R0.5 OCCCCOCCCCCCF 7a_100000732779_100000210776 [1,1,0,0,0,0|1,0,1]=4 9497 B12R0.5 OCCCCSCCCCCCF 62a_100000210776_100015922095 [1,1,0,0,0,0|1,0,1]=4 9498 B12R0.5 OCCCCSCCCCCCF 62a_100015922095_100000210776 [1,1,0,0,0,0|1,0,1]=4 9499 B12R0.5 OCCCOCCCCCCCBr 34a_100000760002_100000230001 [1,1,0,0,0,0|1,0,1]=4 9500 B12R0.5 OCCCOCCCCCCCBr 7a_100000760002_100011215043 [1,1,0,0,0,0|1,0,1]=4 9501 B12R0.5 OCCOCCCCCCCCBr 34a_100009813846_100000211926 [1,1,0,0,0,0|1,0,1]=4 9502 B12R0.5 OCCOCCCCCCCCBr 7a_100009813846_100000211926 [1,1,0,0,0,0|1,0,1]=4 9503 B12R0.5 OCCOCCCCCCCCCl 34a_100000033203_100000211926 [1,1,0,0,0,0|1,0,1]=4 9504 B12R0.5 OCCOCCCCCCCCCl 7a_100000033203_100000211926 [1,1,0,0,0,0|1,0,1]=4 9505 B12R0.5 [13CH3]NCCCCCCCCCCO 2230a_100000066964_200025704644 [1,1,0,0,0,0|0,0,1]=3 9506 B12R0.5 [13CH3]NCCCCCCCCCCO 34a_100000066964_200025704644 [1,1,0,0,0,0|0,0,1]=3 9507 B12R0.5 [13CH3]OCCCCCCCCCCBr 34a_100009813290_200025704644 [1,1,0,0,0,0|1,0,1]=4 9508 B12R0.5 [13CH3]OCCCCCCCCCCBr 7a_100009813290_200025704644 [1,1,0,0,0,0|1,0,1]=4 9509 B12R0.5 [13CH3]OCCCCCCCCCCCl 34a_200000033068_200025704644 [1,1,0,0,0,0|1,0,1]=4 9510 B12R0.5 [13CH3]OCCCCCCCCCCCl 7a_200000033068_200025704644 [1,1,0,0,0,0|1,0,1]=4 9511 B12R0.5 [13CH3]OCCCCCCCCCCN 34a_100000066964_200025704644 [1,1,0,0,0,0|1,0,1]=4 9512 B12R0.5 [13CH3]SCCCCCCCCCCO 62a_100009813290_200025704644 [1,1,0,0,0,0|0,0,1]=3 9513 B12R0.5 [13CH3]SCCCCCCCCCCO 62a_200025704644_200000033068 [1,1,0,0,0,0|0,0,1]=3 9514 B12R0.47 C=CCCCC(=O)CCCCCC 1458a_100000766728_100000210757 [1,1,0,0,0,0|1,0,1]=4 9515 B12R0.47 C=CCCCC(=O)CCCCCC 1458a_100102632555_100000757094 [1,1,0,0,0,0|1,0,1]=4 9516 B12R0.47 C=CCCCCC(=O)CCCCC 1458a_100000212188_100011215482 [1,1,0,0,0,0|1,0,1]=4 9517 B12R0.47 C=CCCCCC(=O)CCCCC 1458a_100011215552_100000210326 [1,1,0,0,0,0|1,0,1]=4 9518 B12R0.47 C=CCCCCN(C)CCCCC 2230a_100000223495_100011215482 [1,1,0,0,0,0|2,0,0]=4 9519 B12R0.47 C=CCCCCN(C)CCCCC 2230a_100012000471_100000210326 [1,1,0,0,0,0|2,0,0]=4 9520 B12R0.47 C=CCCCCN(C)CCCCC 269982a_100000223495_100011215482 [1,1,0,0,0,0|2,0,0]=4 9521 B12R0.47 C=CCCCCN(C)CCCCC 269982a_100012000471_100000210215 [1,1,0,0,0,0|2,0,0]=4 9522 B12R0.47 C=CCCCN(C)CCCCCC 2230a_106256046315_100011713584 [1,1,0,0,0,0|2,0,0]=4 9523 B12R0.47 C=CCCCN(C)CCCCCC 269982a_106256046315_100000757094 [1,1,0,0,0,0|2,0,0]=4 9524 B12R0.47 C=CCCCNC(C)CCCCC 2230a_100000211957_100011713584 [1,1,0,0,0,0|2,0,0]=4 9525 B12R0.47 C=CCCCNC(C)CCCCC 2230a_100000700776_200011218191 [1,1,0,0,0,0|2,0,0]=4 9526 B12R0.47 C=CCCCNC(C)CCCCC 270004a_100000700776_100000211708 [1,1,0,0,0,0|2,0,0]=4 9527 B12R0.47 C=CCCCNC(C)CCCCC 34a_100000700776_200011218191 [1,1,0,0,0,0|2,0,0]=4 9528 B12R0.47 C=CCCCOC(C)CCCCC 34a_100000758997_200011218191 [1,1,0,0,0,0|2,0,0]=4 9529 B12R0.47 C=CCCCOC(C)CCCCC 34a_100011215632_100000757094 [1,1,0,0,0,0|2,0,0]=4 9530 B12R0.47 C=CCCCOC(C)CCCCC 7a_100000758997_200011218191 [1,1,0,0,0,0|2,0,0]=4 9531 B12R0.47 C=CCCCOC(C)CCCCC 7a_100011215632_100000757094 [1,1,0,0,0,0|2,0,0]=4 9532 B12R0.47 C=CCCCSC(C)CCCCC 62a_100011713584_200011218191 [1,1,0,0,0,0|2,0,0]=4 9533 B12R0.47 C=CCCCSC(C)CCCCC 62a_200011218191_100000757094 [1,1,0,0,0,0|2,0,0]=4 9534 B12R0.47 C=CCCNC(C)CCCCCC 2230a_100000210919_100000754431 [1,1,0,0,0,0|2,0,0]=4 9535 B12R0.47 C=CCCNC(C)CCCCCC 2230a_100015191253_100011215978 [1,1,0,0,0,0|2,0,0]=4 9536 B12R0.47 C=CCCNC(C)CCCCCC 270004a_100015191253_100000210826 [1,1,0,0,0,0|2,0,0]=4 9537 B12R0.47 C=CCCNC(C)CCCCCC 34a_100000210919_100000754431 [1,1,0,0,0,0|2,0,0]=4 9538 B12R0.47 C=CCCOC(C)CCCCCC 34a_100000210265_100000754431 [1,1,0,0,0,0|2,0,0]=4 9539 B12R0.47 C=CCCOC(C)CCCCCC 34a_100011205117_100011215978 [1,1,0,0,0,0|2,0,0]=4 9540 B12R0.47 C=CCCOC(C)CCCCCC 7a_100000210265_100000754431 [1,1,0,0,0,0|2,0,0]=4 9541 B12R0.47 C=CCCSC(C)CCCCCC 62a_100000754431_100011215978 [1,1,0,0,0,0|2,0,0]=4 9542 B12R0.47 C=CCCSC(C)CCCCCC 62a_100011215978_100000754431 [1,1,0,0,0,0|2,0,0]=4 9543 B12R0.47 CCCCCC(=O)CCCCCO 1458a_100000212188_100000746330 [1,1,0,0,0,0|0,0,2]=4 9544 B12R0.47 CCCCCC(=O)CCCCCO 1458a_100102619762_100000210326 [1,1,0,0,0,0|0,0,2]=4 9545 B12R0.47 CCCCCC(C)NCCCC=O 2230a_100000211957_200011292268 [1,1,0,0,0,0|1,0,0]=3 9546 B12R0.47 CCCCCC(C)NCCCCO 2230a_100000211957_100000210776 [1,1,0,0,0,0|1,0,1]=4 9547 B12R0.47 CCCCCC(C)NCCCCO 2230a_100000750430_200011218191 [1,1,0,0,0,0|1,0,1]=4 9548 B12R0.47 CCCCCC(C)NCCCCO 270004a_100000750430_100000211708 [1,1,0,0,0,0|1,0,1]=4 9549 B12R0.47 CCCCCC(C)NCCCCO 34a_100000750430_200011218191 [1,1,0,0,0,0|1,0,1]=4 9550 B12R0.47 CCCCCC(C)OCCCC=O 7a_100011215632_200011292268 [1,1,0,0,0,0|1,0,0]=3 9551 B12R0.47 CCCCCC(C)OCCCCO 34a_100011215632_100011216708 [1,1,0,0,0,0|1,0,1]=4 9552 B12R0.47 CCCCCC(C)OCCCCO 7a_100011215632_100000210776 [1,1,0,0,0,0|1,0,1]=4 9553 B12R0.47 CCCCCC(C)SCCCC=O 62a_200011218191_200011292268 [1,1,0,0,0,0|1,0,0]=3 9554 B12R0.47 CCCCCC(C)SCCCC=O 62a_200011292268_200011218191 [1,1,0,0,0,0|1,0,0]=3 9555 B12R0.47 CCCCCC(C)SCCCCO 62a_100000210776_200011218191 [1,1,0,0,0,0|1,0,1]=4 9556 B12R0.47 CCCCCC(C)SCCCCO 62a_200011218191_100000210776 [1,1,0,0,0,0|1,0,1]=4 9557 B12R0.47 CCCCCCC(=O)CCCCO 1458a_100000695505_100000210757 [1,1,0,0,0,0|0,0,2]=4 9558 B12R0.47 CCCCCCC(=O)CCCCO 1458a_100102632555_100000210776 [1,1,0,0,0,0|0,0,2]=4 9559 B12R0.47 CCCCCCC(C)NCCCO 2230a_100000210919_100000230001 [1,1,0,0,0,0|1,0,1]=4 9560 B12R0.47 CCCCCCC(C)NCCCO 270004a_100000182051_100000210826 [1,1,0,0,0,0|1,0,1]=4 9561 B12R0.47 CCCCCCC(C)NCCCO 34a_100000210919_100000230001 [1,1,0,0,0,0|1,0,1]=4 9562 B12R0.47 CCCCCCC(C)OCCCO 34a_100000210265_100000230001 [1,1,0,0,0,0|1,0,1]=4 9563 B12R0.47 CCCCCCC(C)OCCCO 7a_100000210265_100011215043 [1,1,0,0,0,0|1,0,1]=4 9564 B12R0.47 CCCCCCC(C)SCCCO 62a_100011215043_100011215978 [1,1,0,0,0,0|1,0,1]=4 9565 B12R0.47 CCCCCCC(C)SCCCO 62a_100011215978_100011215043 [1,1,0,0,0,0|1,0,1]=4 9566 B12R0.47 CCCCCCN(C)CCCC=O 2230a_106256046315_200011292268 [1,1,0,0,0,0|1,0,0]=3 9567 B12R0.47 CCCCCCN(C)CCCC=O 269982a_106256046315_200011292268 [1,1,0,0,0,0|1,0,0]=3 9568 B12R0.47 CCCCCCN(C)CCCCO 2230a_100000717598_100000210314 [1,1,0,0,0,0|1,0,1]=4 9569 B12R0.47 CCCCCCN(C)CCCCO 2230a_106256046315_100000210776 [1,1,0,0,0,0|1,0,1]=4 9570 B12R0.47 CCCCCCN(C)CCCCO 269982a_100000717598_100000210757 [1,1,0,0,0,0|1,0,1]=4 9571 B12R0.47 CCCCCCN(C)CCCCO 269982a_106256046315_100000210776 [1,1,0,0,0,0|1,0,1]=4 9572 B12R0.47 CCCCCN(C)CCCCC=O 2230a_100000223495_100000139335 [1,1,0,0,0,0|1,0,0]=3 9573 B12R0.47 CCCCCN(C)CCCCC=O 269982a_100000223495_100000139335 [1,1,0,0,0,0|1,0,0]=3 9574 B12R0.47 CCCCCN(C)CCCCCO 2230a_100000223495_100000746330 [1,1,0,0,0,0|1,0,1]=4 9575 B12R0.47 CCCCCN(C)CCCCCO 2230a_100000722520_100000210326 [1,1,0,0,0,0|1,0,1]=4 9576 B12R0.47 CCCCCN(C)CCCCCO 269982a_100000223495_100000746330 [1,1,0,0,0,0|1,0,1]=4 9577 B12R0.47 CCCCCN(C)CCCCCO 269982a_100000722520_100000210215 [1,1,0,0,0,0|1,0,1]=4 9578 B12R0.47 CN(CCCC=O)CCCCCO 2230a_100000722520_200011292268 [1,1,0,0,0,0|2,0,0]=4 9579 B12R0.47 CN(CCCC=O)CCCCCO 269982a_100000722520_200011292268 [1,1,0,0,0,0|2,0,0]=4 9580 B12R0.47 CN(CCCCO)CCCCC=O 2230a_100000717598_100000139335 [1,1,0,0,0,0|2,0,0]=4 9581 B12R0.47 CN(CCCCO)CCCCC=O 269982a_100000717598_100000139335 [1,1,0,0,0,0|2,0,0]=4 9582 B12R0.47 COCCCC(C)OCCCC=O 7a_200011539412_200011292268 [1,1,0,0,0,0|2,0,0]=4 9583 B12R0.47 COCCCN(C)CCCCC=O 2230a_100000224831_100000139335 [1,1,0,0,0,0|2,0,0]=4 9584 B12R0.47 COCCCN(C)CCCCC=O 269982a_100000224831_100000139335 [1,1,0,0,0,0|2,0,0]=4 9585 B12R0.206 C=CCCC(=O)CCCCCCC 1458a_100000211969_100000754431 [1,1,0,0,0,0|1,0,1]=4 9586 B12R0.206 C=CCCC(=O)CCCCCCC 1458a_100000749702_100000210614 [1,1,0,0,0,0|1,0,1]=4 9587 B12R0.206 C=CCCC(C)NCCCCCC 270004a_100000210581_100000762624 [1,1,0,0,0,0|2,0,0]=4 9588 B12R0.206 C=CCCC(C)OCCCCCC 34a_100000765329_100000210314 [1,1,0,0,0,0|2,0,0]=4 9589 B12R0.206 C=CCCC(C)OCCCCCC 7a_100000765329_100000210314 [1,1,0,0,0,0|2,0,0]=4 9590 B12R0.206 C=CCCCCCC(=O)CCCC 1458a_100000210183_100000700193 [1,1,0,0,0,0|1,0,1]=4 9591 B12R0.206 C=CCCCCCC(=O)CCCC 1458a_100011934241_100000210211 [1,1,0,0,0,0|1,0,1]=4 9592 B12R0.206 C=CCCCCCN(C)CCCC 2230a_100000207549_100000700193 [1,1,0,0,0,0|2,0,0]=4 9593 B12R0.206 C=CCCCCCN(C)CCCC 269982a_100000207549_100000700193 [1,1,0,0,0,0|2,0,0]=4 9594 B12R0.206 C=CCCCCNC(C)CCCC 2230a_100000126638_100011215482 [1,1,0,0,0,0|2,0,0]=4 9595 B12R0.206 C=CCCCCNC(C)CCCC 2230a_100000703577_200011215066 [1,1,0,0,0,0|2,0,0]=4 9596 B12R0.206 C=CCCCCNC(C)CCCC 270004a_100000703577_100000210087 [1,1,0,0,0,0|2,0,0]=4 9597 B12R0.206 C=CCCCCNC(C)CCCC 34a_100000703577_200011215066 [1,1,0,0,0,0|2,0,0]=4 9598 B12R0.206 C=CCCCCOC(C)CCCC 34a_100000687866_100011215482 [1,1,0,0,0,0|2,0,0]=4 9599 B12R0.206 C=CCCCCOC(C)CCCC 34a_100000766645_200011215066 [1,1,0,0,0,0|2,0,0]=4 9600 B12R0.206 C=CCCCCOC(C)CCCC 7a_100000687866_100011215482 [1,1,0,0,0,0|2,0,0]=4 9601 B12R0.206 C=CCCCCOC(C)CCCC 7a_100000766645_200011215066 [1,1,0,0,0,0|2,0,0]=4 9602 B12R0.206 C=CCCCCSC(C)CCCC 62a_100011215482_200011215066 [1,1,0,0,0,0|2,0,0]=4 9603 B12R0.206 C=CCCCCSC(C)CCCC 62a_200011215066_100011215482 [1,1,0,0,0,0|2,0,0]=4 9604 B12R0.206 C=CCCCOCC(C)CCCC 34a_100011995851_100000757094 [1,1,0,0,0,0|2,0,0]=4 9605 B12R0.206 C=CCCCOCC(C)CCCC 7a_100011995851_100000757094 [1,1,0,0,0,0|2,0,0]=4 9606 B12R0.206 C=CCCCOC[C@@H](N)CCCC 34a_100011934283_100000757094 [1,1,0,0,0,0|2,0,0]=4 9607 B12R0.206 C=CCCN(C)CCCCCCC 2230a_100000228206_100000754431 [1,1,0,0,0,0|2,0,0]=4 9608 B12R0.206 C=CCCN(C)CCCCCCC 2230a_100020639649_100000210681 [1,1,0,0,0,0|2,0,0]=4 9609 B12R0.206 C=CCCN(C)CCCCCCC 269982a_100000228206_100000754431 [1,1,0,0,0,0|2,0,0]=4 9610 B12R0.206 C=CCCN(C)CCCCCCC 269982a_100020639649_100000210681 [1,1,0,0,0,0|2,0,0]=4 9611 B12R0.206 C=CCNC(C)CCCCCCC 2230a_100020586998_200011218727 [1,1,0,0,0,0|2,0,0]=4 9612 B12R0.206 C=CCNC(C)CCCCCCC 270004a_100020586998_100000210596 [1,1,0,0,0,0|2,0,0]=4 9613 B12R0.206 C=CCOC(C)CCCCCCC 34a_200000210373_200011218727 [1,1,0,0,0,0|2,0,0]=4 9614 B12R0.206 C=CCOC(C)CCCCCCC 34a_200011215852_100015514636 [1,1,0,0,0,0|2,0,0]=4 9615 B12R0.206 C=CCOC(C)CCCCCCC 7a_200011215852_100015514636 [1,1,0,0,0,0|2,0,0]=4 9616 B12R0.206 C=CCSC(C)CCCCCCC 62a_100000210623_200011218727 [1,1,0,0,0,0|2,0,0]=4 9617 B12R0.206 C=CCSC(C)CCCCCCC 62a_200011218727_100000210623 [1,1,0,0,0,0|2,0,0]=4 9618 B12R0.206 CC(CCCCl)OCCCCC=O 7a_200000718107_100000139335 [1,1,0,0,0,0|2,0,0]=4 9619 B12R0.206 CCCCC(=O)CCCCCCO 1458a_100000210183_100000766143 [1,1,0,0,0,0|0,0,2]=4 9620 B12R0.206 CCCCC(=O)CCCCCCO 1458a_100011996774_100000210211 [1,1,0,0,0,0|0,0,2]=4 9621 B12R0.206 CCCCC(C)COCCCC=O 7a_100011995851_200011292268 [1,1,0,0,0,0|1,0,0]=3 9622 B12R0.206 CCCCC(C)COCCCCO 34a_100011995851_100011216708 [1,1,0,0,0,0|1,0,1]=4 9623 B12R0.206 CCCCC(C)COCCCCO 7a_100011995851_100000210776 [1,1,0,0,0,0|1,0,1]=4 9624 B12R0.206 CCCCC(C)NCCCCC=O 2230a_100000126638_100000139335 [1,1,0,0,0,0|1,0,0]=3 9625 B12R0.206 CCCCC(C)NCCCCCO 2230a_100000126638_100000746330 [1,1,0,0,0,0|1,0,1]=4 9626 B12R0.206 CCCCC(C)NCCCCCO 2230a_100000762737_200011215066 [1,1,0,0,0,0|1,0,1]=4 9627 B12R0.206 CCCCC(C)NCCCCCO 270004a_100000762737_100000210087 [1,1,0,0,0,0|1,0,1]=4 9628 B12R0.206 CCCCC(C)NCCCCCO 34a_100000762737_200011215066 [1,1,0,0,0,0|1,0,1]=4 9629 B12R0.206 CCCCC(C)OCCCCC=O 7a_100000687866_100000139335 [1,1,0,0,0,0|1,0,0]=3 9630 B12R0.206 CCCCC(C)OCCCCCO 34a_100000687866_100000746330 [1,1,0,0,0,0|1,0,1]=4 9631 B12R0.206 CCCCC(C)OCCCCCO 7a_100000687866_100000746330 [1,1,0,0,0,0|1,0,1]=4 9632 B12R0.206 CCCCC(C)SCCCCC=O 62a_100000139335_200011215066 [1,1,0,0,0,0|1,0,0]=3 9633 B12R0.206 CCCCC(C)SCCCCC=O 62a_200011215066_100000139335 [1,1,0,0,0,0|1,0,0]=3 9634 B12R0.206 CCCCC(C)SCCCCCO 62a_100000746330_200011215066 [1,1,0,0,0,0|1,0,1]=4 9635 B12R0.206 CCCCC(C)SCCCCCO 62a_200011215066_100000746330 [1,1,0,0,0,0|1,0,1]=4 9636 B12R0.206 CCCCCCCC(=O)CCCO 1458a_100000211969_100011215043 [1,1,0,0,0,0|0,0,2]=4 9637 B12R0.206 CCCCCCCC(C)NCCO 2230a_100016997473_200011218727 [1,1,0,0,0,0|1,0,1]=4 9638 B12R0.206 CCCCCCCC(C)NCCO 270004a_100000210304_100000210596 [1,1,0,0,0,0|1,0,1]=4 9639 B12R0.206 CCCCCCCC(C)NCCO 34a_100016990907_200011218727 [1,1,0,0,0,0|1,0,1]=4 9640 B12R0.206 CCCCCCCC(C)OCC=O 34a_200011215852_200009817547 [1,1,0,0,0,0|1,0,0]=3 9641 B12R0.206 CCCCCCCC(C)OCC=O 7a_200011215852_200015260668 [1,1,0,0,0,0|1,0,0]=3 9642 B12R0.206 CCCCCCCC(C)OCCO 34a_200011215852_100000211926 [1,1,0,0,0,0|1,0,1]=4 9643 B12R0.206 CCCCCCCC(C)OCCO 7a_200011215852_100000211926 [1,1,0,0,0,0|1,0,1]=4 9644 B12R0.206 CCCCCCCC(C)SCC=O 62a_200011218727_200015260668 [1,1,0,0,0,0|1,0,0]=3 9645 B12R0.206 CCCCCCCC(C)SCC=O 62a_200015260668_200011218727 [1,1,0,0,0,0|1,0,0]=3 9646 B12R0.206 CCCCCCCC(C)SCCO 62a_100000211926_200011218727 [1,1,0,0,0,0|1,0,1]=4 9647 B12R0.206 CCCCCCCC(C)SCCO 62a_200011218727_100000211926 [1,1,0,0,0,0|1,0,1]=4 9648 B12R0.206 CCCCCCCN(C)CCCO 2230a_100000213112_100000210681 [1,1,0,0,0,0|1,0,1]=4 9649 B12R0.206 CCCCCCCN(C)CCCO 2230a_100000228206_100000230001 [1,1,0,0,0,0|1,0,1]=4 9650 B12R0.206 CCCCCCCN(C)CCCO 269982a_100000213112_100000210681 [1,1,0,0,0,0|1,0,1]=4 9651 B12R0.206 CCCCCCCN(C)CCCO 269982a_100000228206_100011215043 [1,1,0,0,0,0|1,0,1]=4 9652 B12R0.206 CCCCCNC[C@H](C)CCCO 2230a_100160569302_100000210326 [1,1,0,0,0,0|1,0,1]=4 9653 B12R0.206 CCCCCNC[C@H](C)CCCO 34a_100160569302_100000718602 [1,1,0,0,0,0|1,0,1]=4 9654 B12R0.206 CCCCN(C)CCCCCC=O 2230a_100000207549_100000139337 [1,1,0,0,0,0|1,0,0]=3 9655 B12R0.206 CCCCN(C)CCCCCC=O 269982a_100000207549_100000139337 [1,1,0,0,0,0|1,0,0]=3 9656 B12R0.206 CCCCN(C)CCCCCCO 2230a_100000207549_100000766143 [1,1,0,0,0,0|1,0,1]=4 9657 B12R0.206 CCCCN(C)CCCCCCO 269982a_100000207549_100000766143 [1,1,0,0,0,0|1,0,1]=4 9658 B12R0.206 CCCC[C@H](N)COCCCCO 34a_100011934283_100011216708 [1,1,0,0,0,0|1,0,1]=4 9659 B12R0.206 CCCOC(C)CNCCCC=O 2230a_100015185124_200011292268 [1,1,0,0,0,0|2,0,0]=4 9660 B12R0.206 CCOCC(C)OCCCCC=O 7a_100000718985_100000139335 [1,1,0,0,0,0|2,0,0]=4 9661 B12R0.206 CCOCC(O)CNCCCC=O 2230a_102515437182_200011292268 [1,1,0,0,0,0|2,0,0]=4 9662 B12R0.206 CN(CCCO)CCCCCC=O 2230a_100000213112_100000139337 [1,1,0,0,0,0|2,0,0]=4 9663 B12R0.206 CN(CCCO)CCCCCC=O 269982a_100000213112_100000139337 [1,1,0,0,0,0|2,0,0]=4 9664 B12R0.206 COCCN(C)CCCCCC=O 2230a_100000743101_100000139337 [1,1,0,0,0,0|2,0,0]=4 9665 B12R0.206 COCCN(C)CCCCCC=O 269982a_100000743101_100000139337 [1,1,0,0,0,0|2,0,0]=4 9666 B12R0.206 CSCCN(C)CCCCCC=O 2230a_100000686725_100000139337 [1,1,0,0,0,0|2,0,0]=4 9667 B12R0.206 CSCCN(C)CCCCCC=O 269982a_100000686725_100000139337 [1,1,0,0,0,0|2,0,0]=4 9668 B12R0.206 C[C@H](CCCO)CNCCCC=O 2230a_100160569302_200011292268 [1,1,0,0,0,0|2,0,0]=4 9669 B12R0.248 C=CC(=O)CCCCCCCCC 1458a_100000185746_100000210670 [1,1,0,0,0,0|1,0,1]=4 9670 B12R0.248 C=CC(C)COCCCCCCC 34a_100011215527_100000210614 [1,1,0,0,0,0|2,0,0]=4 9671 B12R0.248 C=CC(C)COCCCCCCC 7a_100011215527_100000210614 [1,1,0,0,0,0|2,0,0]=4 9672 B12R0.248 C=CC(C)OCCCCCCCC 34a_100000695699_100000210759 [1,1,0,0,0,0|2,0,0]=4 9673 B12R0.248 C=CC(C)SCCCCCCCC 62a_100011215867_100000210317 [1,1,0,0,0,0|2,0,0]=4 9674 B12R0.248 C=CC(O)CNCCCCCCC 2230a_100000229938_100000730141 [1,1,0,0,0,0|2,0,0]=4 9675 B12R0.248 C=CC(O)COCCCCCCC 34a_100000210272_100000730141 [1,1,0,0,0,0|2,0,0]=4 9676 B12R0.248 C=CC(O)COCCCCCCC 7a_100000210272_100000730141 [1,1,0,0,0,0|2,0,0]=4 9677 B12R0.248 C=CC(O)CSCCCCCCC 62a_100000210614_100000730141 [1,1,0,0,0,0|2,0,0]=4 9678 B12R0.248 C=CC(O)CSCCCCCCC 62a_100000730141_100000210316 [1,1,0,0,0,0|2,0,0]=4 9679 B12R0.248 C=CCCCCCCCC(=O)CC 1458a_100000210414_100012355270 [1,1,0,0,0,0|1,0,1]=4 9680 B12R0.248 C=CCCCCCCCC(=O)CC 1458a_100011216160_100000210202 [1,1,0,0,0,0|1,0,1]=4 9681 B12R0.248 C=CCCCCCCCN(C)CC 2230a_100000225621_100012355270 [1,1,0,0,0,0|2,0,0]=4 9682 B12R0.248 C=CCCCCCCCN(C)CC 269982a_100000225621_100012355270 [1,1,0,0,0,0|2,0,0]=4 9683 B12R0.248 C=CCCCCCCNC(C)CC 2230a_100000209981_100011215473 [1,1,0,0,0,0|2,0,0]=4 9684 B12R0.248 C=CCCCCCCOC(C)CC 34a_200011216477_100011215416 [1,1,0,0,0,0|2,0,0]=4 9685 B12R0.248 C=CCCCCCCOC(C)CC 7a_100000210228_100011215473 [1,1,0,0,0,0|2,0,0]=4 9686 B12R0.248 C=CCCCCCCOC(C)CC 7a_200011216477_100000758301 [1,1,0,0,0,0|2,0,0]=4 9687 B12R0.248 C=CCCCCCCSC(C)CC 62a_100000758301_100011215473 [1,1,0,0,0,0|2,0,0]=4 9688 B12R0.248 C=CCCCCCCSC(C)CC 62a_100011215473_100000758301 [1,1,0,0,0,0|2,0,0]=4 9689 B12R0.248 C=CCCCCCNCC(C)CC 2230a_100020588543_100000700193 [1,1,0,0,0,0|2,0,0]=4 9690 B12R0.248 C=CCCCCCNCC(O)CC 2230a_100011218483_100000700193 [1,1,0,0,0,0|2,0,0]=4 9691 B12R0.248 C=CCCCCCOCC(C)CC 34a_100011216702_100000748023 [1,1,0,0,0,0|2,0,0]=4 9692 B12R0.248 C=CCCCCCOCC(C)CC 7a_100011216702_100000748023 [1,1,0,0,0,0|2,0,0]=4 9693 B12R0.248 C=CCCCCCOCC(O)CC 34a_100011216702_100011218378 [1,1,0,0,0,0|2,0,0]=4 9694 B12R0.248 C=CCCCCCOCC(O)CC 7a_100011216702_100011218378 [1,1,0,0,0,0|2,0,0]=4 9695 B12R0.248 C=CCCCCCOC[C@@H](C)CC 34a_100011216702_100009816398 [1,1,0,0,0,0|2,0,0]=4 9696 B12R0.248 C=CCCCCCOC[C@@H](C)CC 7a_100009816381_100000700193 [1,1,0,0,0,0|2,0,0]=4 9697 B12R0.248 C=CCCCCCOC[C@@H](C)CC 7a_100011216702_100009816398 [1,1,0,0,0,0|2,0,0]=4 9698 B12R0.248 C=CCCCCCSCC(C)CC 62a_100000700193_100000748023 [1,1,0,0,0,0|2,0,0]=4 9699 B12R0.248 C=CCCCCCSCC(C)CC 62a_100000748023_100000700193 [1,1,0,0,0,0|2,0,0]=4 9700 B12R0.248 C=CCCCCCSCC(O)CC 62a_100000700193_100011218378 [1,1,0,0,0,0|2,0,0]=4 9701 B12R0.248 C=CCCCCCSCC(O)CC 62a_100011218378_100000700193 [1,1,0,0,0,0|2,0,0]=4 9702 B12R0.248 C=CCCCCCSC[C@@H](C)CC 62a_100000700193_100009816398 [1,1,0,0,0,0|2,0,0]=4 9703 B12R0.248 C=CCCCCCSC[C@@H](C)CC 62a_100009816398_100000700193 [1,1,0,0,0,0|2,0,0]=4 9704 B12R0.248 C=CCCCCNCCC(C)CC 2230a_100020591266_100011215482 [1,1,0,0,0,0|2,0,0]=4 9705 B12R0.248 C=CCCCCOCCC(C)CC 7a_100011215188_100011215482 [1,1,0,0,0,0|2,0,0]=4 9706 B12R0.248 C=CCCCOCCCC(C)CC 7a_100011216074_100000757094 [1,1,0,0,0,0|2,0,0]=4 9707 B12R0.248 C=CCOCCCCCC(C)CC 7a_200000035636_100015514636 [1,1,0,0,0,0|2,0,0]=4 9708 B12R0.248 C=C[C@H](N)COCCCCCCC 34a_100016989147_100000210614 [1,1,0,0,0,0|2,0,0]=4 9709 B12R0.248 CC(CO)CCNCCCCC=O 2230a_106354213184_100000139335 [1,1,0,0,0,0|2,0,0]=4 9710 B12R0.248 CCC(=O)CCCCCCCCO 1458a_100000210414_100000033203 [1,1,0,0,0,0|0,0,2]=4 9711 B12R0.248 CCC(=O)CSCCCCCC=O 62a_100000139337_100000747405 [1,1,0,0,0,0|1,0,1]=4 9712 B12R0.248 CCC(=O)CSCCCCCC=O 62a_100000747405_100000139337 [1,1,0,0,0,0|1,0,1]=4 9713 B12R0.248 CCC(C)CCCCCOCC=O 7a_200000035636_200015260668 [1,1,0,0,0,0|1,0,0]=3 9714 B12R0.248 CCC(C)CCCCCOCCO 7a_200000035636_100000211926 [1,1,0,0,0,0|1,0,1]=4 9715 B12R0.248 CCC(C)CCCOCCCC=O 7a_100011216074_200011292268 [1,1,0,0,0,0|1,0,0]=3 9716 B12R0.248 CCC(C)CCCOCCCCO 7a_100011216074_100000210776 [1,1,0,0,0,0|1,0,1]=4 9717 B12R0.248 CCC(C)CCNCCCCC=O 2230a_100020591266_100000139335 [1,1,0,0,0,0|1,0,0]=3 9718 B12R0.248 CCC(C)CCNCCCCCO 2230a_100020591266_100000746330 [1,1,0,0,0,0|1,0,1]=4 9719 B12R0.248 CCC(C)CCOCCCCC=O 7a_100011215188_100000139335 [1,1,0,0,0,0|1,0,0]=3 9720 B12R0.248 CCC(C)CCOCCCCCO 7a_100011215188_100000746330 [1,1,0,0,0,0|1,0,1]=4 9721 B12R0.248 CCC(C)CNCCCCCC=O 2230a_100020588543_100000139337 [1,1,0,0,0,0|1,0,0]=3 9722 B12R0.248 CCC(C)CNCCCCCCO 2230a_100000686447_100000748023 [1,1,0,0,0,0|1,0,1]=4 9723 B12R0.248 CCC(C)CNCCCCCCO 2230a_100020588543_100000766143 [1,1,0,0,0,0|1,0,1]=4 9724 B12R0.248 CCC(C)CNCCCCCCO 270004a_100000686447_100000243153 [1,1,0,0,0,0|1,0,1]=4 9725 B12R0.248 CCC(C)CNCCCCCCO 34a_100000686447_100000748023 [1,1,0,0,0,0|1,0,1]=4 9726 B12R0.248 CCC(C)CSCCCCCC=O 62a_100000139337_100000748023 [1,1,0,0,0,0|1,0,0]=3 9727 B12R0.248 CCC(C)CSCCCCCC=O 62a_100000748023_100000139337 [1,1,0,0,0,0|1,0,0]=3 9728 B12R0.248 CCC(C)CSCCCCCCO 62a_100000748023_100000766143 [1,1,0,0,0,0|1,0,1]=4 9729 B12R0.248 CCC(C)CSCCCCCCO 62a_100000766143_100000748023 [1,1,0,0,0,0|1,0,1]=4 9730 B12R0.248 CCC(C)NCCCCCCCO 2230a_100000209981_100000760002 [1,1,0,0,0,0|1,0,1]=4 9731 B12R0.248 CCC(C)NCCCCCCCO 2230a_100011996573_100000758301 [1,1,0,0,0,0|1,0,1]=4 9732 B12R0.248 CCC(C)NCCCCCCCO 34a_100011996573_100011215416 [1,1,0,0,0,0|1,0,1]=4 9733 B12R0.248 CCC(C)OCCCCCCCO 7a_100000210228_100000760002 [1,1,0,0,0,0|1,0,1]=4 9734 B12R0.248 CCC(C)SCCCCCCCO 62a_100000758301_100000760002 [1,1,0,0,0,0|1,0,1]=4 9735 B12R0.248 CCC(C)SCCCCCCCO 62a_100000760002_100000758301 [1,1,0,0,0,0|1,0,1]=4 9736 B12R0.248 CCC(O)CNCCCCCC=O 2230a_100011218483_100000139337 [1,1,0,0,0,0|1,0,0]=3 9737 B12R0.248 CCC(O)CNCCCCCCO 2230a_100000686447_100011218378 [1,1,0,0,0,0|1,0,1]=4 9738 B12R0.248 CCC(O)CNCCCCCCO 2230a_100011218483_100000766143 [1,1,0,0,0,0|1,0,1]=4 9739 B12R0.248 CCC(O)CNCCCCCCO 34a_100000686447_100011218378 [1,1,0,0,0,0|1,0,1]=4 9740 B12R0.248 CCC(O)CSCCCCCC=O 62a_100000139337_100011218378 [1,1,0,0,0,0|1,0,0]=3 9741 B12R0.248 CCC(O)CSCCCCCC=O 62a_100011218378_100000139337 [1,1,0,0,0,0|1,0,0]=3 9742 B12R0.248 CCC(O)CSCCCCCCO 62a_100000766143_100011218378 [1,1,0,0,0,0|1,0,1]=4 9743 B12R0.248 CCC(O)CSCCCCCCO 62a_100011218378_100000766143 [1,1,0,0,0,0|1,0,1]=4 9744 B12R0.248 CCCCCCCCCC(=O)CO 1458a_100000210174_100000210670 [1,1,0,0,0,0|0,0,2]=4 9745 B12R0.248 CCCCCCCCCC(C)NC 270004a_106832991635_100011215753 [1,1,0,0,0,0|2,0,0]=4 9746 B12R0.248 CCCCCCCCCC(C)OC 34a_100011218016_200000210301 [1,1,0,0,0,0|2,0,0]=4 9747 B12R0.248 CCCCCCCCCC(C)OC 7a_100011218016_200000210301 [1,1,0,0,0,0|2,0,0]=4 9748 B12R0.248 CCCCCCCCCC(C)O[13CH3] 34a_100011218016_200025704644 [1,1,0,0,0,0|2,0,0]=4 9749 B12R0.248 CCCCCCCCCC(C)O[13CH3] 7a_100011218016_200025704644 [1,1,0,0,0,0|2,0,0]=4 9750 B12R0.248 CCCCCCCCNC(C)CO 2230a_100000229939_100012180447 [1,1,0,0,0,0|1,0,1]=4 9751 B12R0.248 CCCCCCCCNC(C)CO 34a_100000229939_100012180447 [1,1,0,0,0,0|1,0,1]=4 9752 B12R0.248 CCCCCCCCN[C@H](C)CO 2230a_100000737577_100000210759 [1,1,0,0,0,0|1,0,1]=4 9753 B12R0.248 CCCCCCCCOC(C)CO 34a_100000210232_100012180447 [1,1,0,0,0,0|1,0,1]=4 9754 B12R0.248 CCCCCCCCOC(C)CO 7a_100000210232_100012180447 [1,1,0,0,0,0|1,0,1]=4 9755 B12R0.248 CCCCCCCCSC(C)CO 62a_100012180447_100000210317 [1,1,0,0,0,0|1,0,1]=4 9756 B12R0.248 CCCCCCCCS[C@H](C)CO 62a_100000210759_100016084084 [1,1,0,0,0,0|1,0,1]=4 9757 B12R0.248 CCCCCCCCS[C@H](C)CO 62a_100016084084_100000210317 [1,1,0,0,0,0|1,0,1]=4 9758 B12R0.248 CCCCCCCNCC(C)CO 34a_100000744482_100000210614 [1,1,0,0,0,0|1,0,1]=4 9759 B12R0.248 CCCCCCCNCC(O)CO 2230a_100000229938_100011219619 [1,1,0,0,0,0|1,0,1]=4 9760 B12R0.248 CCCCCCCNC[C@@H](C)CO 2230a_100000229938_100000059175 [1,1,0,0,0,0|1,0,1]=4 9761 B12R0.248 CCCCCCCNC[C@@H](F)CO 34a_100015665980_100000210614 [1,1,0,0,0,0|1,0,1]=4 9762 B12R0.248 CCCCCCCNC[C@@H](O)CO 2230a_100000229938_100009815848 [1,1,0,0,0,0|1,0,1]=4 9763 B12R0.248 CCCCCCCNC[C@H](O)CO 2230a_100020644852_100000210681 [1,1,0,0,0,0|1,0,1]=4 9764 B12R0.248 CCCCCCCOCC(O)CO 34a_100000210272_100011219619 [1,1,0,0,0,0|1,0,1]=4 9765 B12R0.248 CCCCCCCOCC(O)CO 7a_100000210272_100011219619 [1,1,0,0,0,0|1,0,1]=4 9766 B12R0.248 CCCCCCCOC[C@@H](C)CO 34a_100000210272_100000059175 [1,1,0,0,0,0|1,0,1]=4 9767 B12R0.248 CCCCCCCOC[C@@H](C)CO 7a_100000210272_100000059175 [1,1,0,0,0,0|1,0,1]=4 9768 B12R0.248 CCCCCCCOC[C@@H](O)CO 34a_100000210272_100009815848 [1,1,0,0,0,0|1,0,1]=4 9769 B12R0.248 CCCCCCCOC[C@@H](O)CO 7a_100000210272_100009815848 [1,1,0,0,0,0|1,0,1]=4 9770 B12R0.248 CCCCCCCSCC(O)CO 62a_100000210614_100011219619 [1,1,0,0,0,0|1,0,1]=4 9771 B12R0.248 CCCCCCCSCC(O)CO 62a_100011219619_100000210316 [1,1,0,0,0,0|1,0,1]=4 9772 B12R0.248 CCCCCCCSC[C@@H](C)CO 62a_100000059175_100000210316 [1,1,0,0,0,0|1,0,1]=4 9773 B12R0.248 CCCCCCCSC[C@@H](C)CO 62a_100000210614_100000059175 [1,1,0,0,0,0|1,0,1]=4 9774 B12R0.248 CCCCCCCSC[C@@H](O)CO 62a_100000210614_100009815848 [1,1,0,0,0,0|1,0,1]=4 9775 B12R0.248 CCCCCCCSC[C@@H](O)CO 62a_100009815848_100000210316 [1,1,0,0,0,0|1,0,1]=4 9776 B12R0.248 CCCCCCNCCC(C)CO 2230a_106354213184_100000210314 [1,1,0,0,0,0|1,0,1]=4 9777 B12R0.248 CCCCCCNCCC(C)CO 34a_106354213184_100000210314 [1,1,0,0,0,0|1,0,1]=4 9778 B12R0.248 CCN(C)CCCCCCCCO 2230a_100000225621_100000033203 [1,1,0,0,0,0|1,0,1]=4 9779 B12R0.248 CCN(C)CCCCCCCCO 269982a_100000225621_100000033203 [1,1,0,0,0,0|1,0,1]=4 9780 B12R0.248 CCN(C)CCCSCCCC=O 62a_200011292268_100015186262 [1,1,0,0,0,0|2,0,0]=4 9781 B12R0.248 CC[C@H](C)CNCCCCCCO 2230a_100000686447_100009816398 [1,1,0,0,0,0|1,0,1]=4 9782 B12R0.248 CC[C@H](C)CNCCCCCCO 34a_100000686447_100009816398 [1,1,0,0,0,0|1,0,1]=4 9783 B12R0.248 CC[C@H](C)COCCCCCC=O 7a_100009816381_100000139337 [1,1,0,0,0,0|1,0,0]=3 9784 B12R0.248 CC[C@H](C)COCCCCCCO 7a_100009816381_100000766143 [1,1,0,0,0,0|1,0,1]=4 9785 B12R0.248 CC[C@H](C)CSCCCCCC=O 62a_100000139337_100009816398 [1,1,0,0,0,0|1,0,0]=3 9786 B12R0.248 CC[C@H](C)CSCCCCCC=O 62a_100009816398_100000139337 [1,1,0,0,0,0|1,0,0]=3 9787 B12R0.248 CC[C@H](C)CSCCCCCCO 62a_100000766143_100009816398 [1,1,0,0,0,0|1,0,1]=4 9788 B12R0.248 CC[C@H](C)CSCCCCCCO 62a_100009816398_100000766143 [1,1,0,0,0,0|1,0,1]=4 9789 B12R0.248 COC(C)CCOCCCCC=O 7a_100000764861_100000139335 [1,1,0,0,0,0|2,0,0]=4 9790 B12R0.248 CO[C@H](C)CNCCCCCC=O 2230a_100020591295_100000139337 [1,1,0,0,0,0|2,0,0]=4 9791 B12R0.248 C[C@@H](CO)CSCCCCCC=O 62a_100000059175_100000139337 [1,1,0,0,0,0|2,0,0]=4 9792 B12R0.248 C[C@@H](CO)CSCCCCCC=O 62a_100000139337_100000059175 [1,1,0,0,0,0|2,0,0]=4 9793 B12R0.248 O=CCCCCCNC[C@H](O)CO 2230a_100020644852_100000139337 [1,1,0,0,0,0|2,0,0]=4 9794 B12R0.248 O=CCCCCCSCC(O)CO 62a_100000139337_100011219619 [1,1,0,0,0,0|2,0,0]=4 9795 B12R0.248 O=CCCCCCSCC(O)CO 62a_100011219619_100000139337 [1,1,0,0,0,0|2,0,0]=4 9796 B12R0.248 O=CCCCCCSC[C@@H](O)CF 62a_100000139337_100015614560 [1,1,0,0,0,0|2,0,0]=4 9797 B12R0.248 O=CCCCCCSC[C@@H](O)CF 62a_100015614560_100000139337 [1,1,0,0,0,0|2,0,0]=4 9798 B12R0.248 O=CCCCCCSC[C@@H](O)CO 62a_100000139337_100009815848 [1,1,0,0,0,0|2,0,0]=4 9799 B12R0.248 O=CCCCCCSC[C@@H](O)CO 62a_100009815848_100000139337 [1,1,0,0,0,0|2,0,0]=4 9800 B12R0.4 CCCCCCCC(=O)CC(=O)N 1458a_100000211969_100000187820 [1,1,0,0,0,0|1,0,1]=4 9801 B12R0.4 CCCCCCCC(=O)CC(=O)N 1458a_100134613110_100000210614 [1,1,0,0,0,0|1,0,1]=4 9802 B12R0.4 CCCCCCCC(=O)CC(=O)[O-] 1458a_100000211969_100020667443 [1,1,0,0,0,0|0,0,2]=4 9803 B12R0.4 CCCCCCCC(O)CC(=O)C 1458a_200011667753_200000210301 [1,1,0,0,0,0|1,0,0]=3 9804 B12R0.4 CCCCCCCC(O)CC(=O)[13CH3] 1458a_200011667753_200025704644 [1,1,0,0,0,0|1,0,0]=3 9805 B12R0.4 CCCCCCCN(C)CC(=O)N 2230a_100000228206_100000747473 [1,1,0,0,0,0|2,0,0]=4 9806 B12R0.4 CCCCCCCN(C)CC(=O)N 2230a_100000739694_100000210681 [1,1,0,0,0,0|2,0,0]=4 9807 B12R0.4 CCCCCCCN(C)CC(=O)N 269982a_100000228206_100000187820 [1,1,0,0,0,0|2,0,0]=4 9808 B12R0.4 CCCCCCCN(C)CC(=O)O 269956a_100000746989_100000210614 [1,1,0,0,0,0|1,0,0]=3 9809 B12R0.4 CCCCCCCN(C)CC(=O)[O-] 269982a_100000228206_100020667443 [1,1,0,0,0,0|1,0,1]=4 9810 B12R0.4 CCCCCNCC(O)CC(=O)O 269956a_100011218706_100000210326 [1,1,0,0,0,0|1,0,0]=3 9811 B12R0.4 CCCCOCCN(C)CC(=O)O 269956a_100000746989_100000743108 [1,1,0,0,0,0|2,0,0]=4 9812 B12R0.4 CCOCCNCC(O)CC(=O)O 269956a_100011218706_100000210147 [1,1,0,0,0,0|2,0,0]=4 9813 B12R0.4 CCSCCNCC(O)CC(=O)O 269956a_100011218706_100000757381 [1,1,0,0,0,0|2,0,0]=4 9814 B12R0.4 CN(CCCCCCF)CC(=O)O 269956a_100000746989_100015922095 [1,1,0,0,0,0|2,0,0]=4 9815 B12R0.4 CN(CCCCCCO)CC(=O)O 269956a_100000746989_100000766143 [1,1,0,0,0,0|2,0,0]=4 9816 B12R0.4 COCCCNCC(O)CC(=O)O 269956a_100011218706_100000740836 [1,1,0,0,0,0|2,0,0]=4 9817 B12R0.4 O=C(O)CC(O)CNCCCCF 269956a_100011218706_100000729493 [1,1,0,0,0,0|2,0,0]=4 9818 B12R0.4 O=C(O)CC(O)CNCCCCO 269956a_100011218706_100000210776 [1,1,0,0,0,0|2,0,0]=4 9819 B12R0.95 CCCCC(=O)CCCCC(=O)C 1458a_100000210183_100000735457 [1,1,0,0,0,0|1,0,1]=4 9820 B12R0.95 CCCCC(C)COCCC(=O)C 7a_100011995851_100000053229 [1,1,0,0,0,0|2,0,0]=4 9821 B12R0.95 CCCCC(C)COCCC(=O)N 34a_100011995851_100000731001 [1,1,0,0,0,0|2,0,0]=4 9822 B12R0.95 CCCCC(C)COCCC(=O)N 7a_100011995851_100000744528 [1,1,0,0,0,0|2,0,0]=4 9823 B12R0.95 CCCCC(C)NCCCC(=O)N 34a_100000739312_200011215066 [1,1,0,0,0,0|2,0,0]=4 9824 B12R0.95 CCCCC(C)OCCCC(=O)C 34a_100000687866_100000685027 [1,1,0,0,0,0|2,0,0]=4 9825 B12R0.95 CCCCC(C)OCCCC(=O)C 34a_100000759063_200011215066 [1,1,0,0,0,0|2,0,0]=4 9826 B12R0.95 CCCCC(C)OCCCC(=O)C 7a_100000687866_100011215641 [1,1,0,0,0,0|2,0,0]=4 9827 B12R0.95 CCCCC(C)OCCCC(=O)C 7a_100000759063_200011215066 [1,1,0,0,0,0|2,0,0]=4 9828 B12R0.95 CCCCC(C)OCCCC(=O)N 34a_100000687866_100102525003 [1,1,0,0,0,0|2,0,0]=4 9829 B12R0.95 CCCCC(C)OCCCC(=O)N 7a_100000687866_100102525003 [1,1,0,0,0,0|2,0,0]=4 9830 B12R0.95 CCCCC(C)SCCCC(=O)C 62a_100011215641_200011215066 [1,1,0,0,0,0|2,0,0]=4 9831 B12R0.95 CCCCC(C)SCCCC(=O)C 62a_200011215066_100011215641 [1,1,0,0,0,0|2,0,0]=4 9832 B12R0.95 CCCCC(C)SCCCC(=O)N 62a_100102525003_200011215066 [1,1,0,0,0,0|2,0,0]=4 9833 B12R0.95 CCCCC(C)SCCCC(=O)N 62a_200011215066_100102525003 [1,1,0,0,0,0|2,0,0]=4 9834 B12R0.95 CCCCN(C)CCCCC(=O)C 269982a_100000207549_100000735457 [1,1,0,0,0,0|2,0,0]=4 9835 B12R0.95 CCCC[C@H](N)COCCC(=O)N 34a_100011934283_100000731001 [1,1,0,0,0,0|2,0,0]=4 9836 B12R0.184 CCC(C)CCCOCCC(=O)C 7a_100011216074_100000053229 [1,1,0,0,0,0|2,0,0]=4 9837 B12R0.184 CCC(C)CCCOCCC(=O)N 7a_100011216074_100000744528 [1,1,0,0,0,0|2,0,0]=4 9838 B12R0.184 CCC(C)CCOCCCC(=O)C 7a_100011215188_100011215641 [1,1,0,0,0,0|2,0,0]=4 9839 B12R0.184 CCC(C)CCOCCCC(=O)N 7a_100011215188_100102525003 [1,1,0,0,0,0|2,0,0]=4 9840 B12R0.184 CCC(C)CNCCCCC(=O)N 270004a_100000696515_100000243153 [1,1,0,0,0,0|2,0,0]=4 9841 B12R0.184 CCC(C)CNCCCCC(=O)N 34a_100000696515_100000748023 [1,1,0,0,0,0|2,0,0]=4 9842 B12R0.184 CCC(C)CNCCOCC(=O)O 269956a_100000700818_100000748023 [1,1,0,0,0,0|2,0,0]=4 9843 B12R0.184 CCC(C)COCCCCC(=O)N 34a_100012022536_100000748023 [1,1,0,0,0,0|2,0,0]=4 9844 B12R0.184 CCC(C)COCCCCC(=O)N 7a_100012022536_100000748023 [1,1,0,0,0,0|2,0,0]=4 9845 B12R0.184 CCC(C)CSCCCCC(=O)C 62a_100000735457_100000748023 [1,1,0,0,0,0|2,0,0]=4 9846 B12R0.184 CCC(C)CSCCCCC(=O)C 62a_100000748023_100000735457 [1,1,0,0,0,0|2,0,0]=4 9847 B12R0.184 CCC(C)NCCCCCC(=O)N 2230a_100000209981_100009817443 [1,1,0,0,0,0|2,0,0]=4 9848 B12R0.184 CCC(C)OCCCCCC(=O)N 34a_100000123541_100011215416 [1,1,0,0,0,0|2,0,0]=4 9849 B12R0.184 CCC(C)OCCCCCC(=O)N 7a_100000123541_100000758301 [1,1,0,0,0,0|2,0,0]=4 9850 B12R0.184 CCC(C)OCCCCCC(=O)N 7a_100000210228_100009817443 [1,1,0,0,0,0|2,0,0]=4 9851 B12R0.184 CCC(C)OCCCCCC(=O)[O-] 7a_100102619762_100000758301 [1,1,0,0,0,0|1,0,1]=4 9852 B12R0.184 CCC(C)SCCCCCC(=O)N 62a_100000758301_100009817443 [1,1,0,0,0,0|2,0,0]=4 9853 B12R0.184 CCC(C)SCCCCCC(=O)N 62a_100009817443_100000758301 [1,1,0,0,0,0|2,0,0]=4 9854 B12R0.184 CCC(O)CNCCCCC(=O)N 34a_100000696515_100011218378 [1,1,0,0,0,0|2,0,0]=4 9855 B12R0.184 CCC(O)CNCCOCC(=O)O 269956a_100000700818_100011218378 [1,1,0,0,0,0|2,0,0]=4 9856 B12R0.184 CCC(O)COCCCCC(=O)N 34a_100012022536_100011218378 [1,1,0,0,0,0|2,0,0]=4 9857 B12R0.184 CCC(O)COCCCCC(=O)N 7a_100012022536_100011218378 [1,1,0,0,0,0|2,0,0]=4 9858 B12R0.184 CCC(O)CSCCCCC(=O)C 62a_100000735457_100011218378 [1,1,0,0,0,0|2,0,0]=4 9859 B12R0.184 CCC(O)CSCCCCC(=O)C 62a_100011218378_100000735457 [1,1,0,0,0,0|2,0,0]=4 9860 B12R0.184 CC[C@H](C)CNCCCCC(=O)N 34a_100000696515_100009816398 [1,1,0,0,0,0|2,0,0]=4 9861 B12R0.184 CC[C@H](C)CNCCOCC(=O)O 269956a_100000700818_100009816398 [1,1,0,0,0,0|2,0,0]=4 9862 B12R0.184 CC[C@H](C)COCCCCC(=O)C 7a_100009816381_100000735457 [1,1,0,0,0,0|2,0,0]=4 9863 B12R0.184 CC[C@H](C)COCCCCC(=O)N 34a_100012022536_100009816398 [1,1,0,0,0,0|2,0,0]=4 9864 B12R0.184 CC[C@H](C)COCCCCC(=O)N 7a_100012022536_100009816398 [1,1,0,0,0,0|2,0,0]=4 9865 B12R0.184 CC[C@H](C)CSCCCCC(=O)C 62a_100000735457_100009816398 [1,1,0,0,0,0|2,0,0]=4 9866 B12R0.184 CC[C@H](C)CSCCCCC(=O)C 62a_100009816398_100000735457 [1,1,0,0,0,0|2,0,0]=4 9867 B12R0.233 CCCCCC(=O)CCCC(=O)C 1458a_100000212188_100011215641 [1,1,0,0,0,0|1,0,1]=4 9868 B12R0.233 CCCCCC(=O)CCCC(=O)N 1458a_100000212188_100102525003 [1,1,0,0,0,0|1,0,1]=4 9869 B12R0.233 CCCCCC(=O)CNCC(=O)O 269956a_100016091260_200012276598 [1,1,0,0,0,0|1,0,1]=4 9870 B12R0.233 CCCCCC(C)NCCC(=O)N 2230a_100000211957_100000744528 [1,1,0,0,0,0|2,0,0]=4 9871 B12R0.233 CCCCCC(C)NOCC(=O)O 269956a_100000106656_200011218191 [1,1,0,0,0,0|2,0,0]=4 9872 B12R0.233 CCCCCC(C)OCCC(=O)C 34a_100000759926_200011218191 [1,1,0,0,0,0|2,0,0]=4 9873 B12R0.233 CCCCCC(C)OCCC(=O)C 7a_100000759926_200011218191 [1,1,0,0,0,0|2,0,0]=4 9874 B12R0.233 CCCCCC(C)OCCC(=O)C 7a_100011215632_100000053229 [1,1,0,0,0,0|2,0,0]=4 9875 B12R0.233 CCCCCC(C)OCCC(=O)N 34a_100000757172_200011218191 [1,1,0,0,0,0|2,0,0]=4 9876 B12R0.233 CCCCCC(C)OCCC(=O)N 34a_100011215632_100000731001 [1,1,0,0,0,0|2,0,0]=4 9877 B12R0.233 CCCCCC(C)OCCC(=O)N 7a_100000757172_200011218191 [1,1,0,0,0,0|2,0,0]=4 9878 B12R0.233 CCCCCC(C)OCCC(=O)N 7a_100011215632_100000744528 [1,1,0,0,0,0|2,0,0]=4 9879 B12R0.233 CCCCCC(C)SCCC(=O)C 62a_100000053229_200011218191 [1,1,0,0,0,0|2,0,0]=4 9880 B12R0.233 CCCCCC(C)SCCC(=O)C 62a_200011218191_100000053229 [1,1,0,0,0,0|2,0,0]=4 9881 B12R0.233 CCCCCC(C)SCCC(=O)N 62a_100000744528_200011218191 [1,1,0,0,0,0|2,0,0]=4 9882 B12R0.233 CCCCCC(C)SCCC(=O)N 62a_200011218191_100000744528 [1,1,0,0,0,0|2,0,0]=4 9883 B12R0.233 CCCCCN(C)CCCC(=O)C 269982a_100000223495_100011215641 [1,1,0,0,0,0|2,0,0]=4 9884 B12R0.233 CCCCCN(C)CCCC(=O)N 269982a_100000223495_100102525003 [1,1,0,0,0,0|2,0,0]=4 9885 B12R0.233 CCCCCN(C)CCCC(=O)O 269956a_100000719178_100000210326 [1,1,0,0,0,0|1,0,0]=3 9886 B12R0.233 CCCCOC(C)CCCC(=O)[O-] 7a_100000761597_100000210211 [1,1,0,0,0,0|1,0,1]=4 9887 B12R0.233 CCOCCN(C)CCCC(=O)O 269956a_100000719178_100000210147 [1,1,0,0,0,0|2,0,0]=4 9888 B12R0.233 CCSCCN(C)CCCC(=O)O 269956a_100000719178_100000757381 [1,1,0,0,0,0|2,0,0]=4 9889 B12R0.233 CN(CCCCF)CCCC(=O)O 269956a_100000719178_100000729493 [1,1,0,0,0,0|2,0,0]=4 9890 B12R0.233 CN(CCCCO)CCCC(=O)O 269956a_100000719178_100000210776 [1,1,0,0,0,0|2,0,0]=4 9891 B12R0.233 COCCCN(C)CCCC(=O)O 269956a_100000719178_100000740836 [1,1,0,0,0,0|2,0,0]=4 9892 B12R0.251 CC(CNCCCCCF)C(=O)O 269956a_100000749485_100000729378 [1,1,0,0,0,0|2,0,0]=4 9893 B12R0.251 CC(CNCCCCCO)C(=O)O 269956a_100000749485_100000746330 [1,1,0,0,0,0|2,0,0]=4 9894 B12R0.251 CCCCCCCCC(O)C(=O)C 1458a_200011995895_200000210301 [1,1,0,0,0,0|1,0,0]=3 9895 B12R0.251 CCCCCCCCC(O)C(=O)[13CH3] 1458a_200011995895_200025704644 [1,1,0,0,0,0|1,0,0]=3 9896 B12R0.251 CCCCCCCCN(C)C(=O)C 11a_100000207567_100015343762 [1,1,0,0,0,0|2,0,0]=4 9897 B12R0.251 CCCCCCCCN(C)C(=O)C 1626a_100000207567_100015343762 [1,1,0,0,0,0|2,0,0]=4 9898 B12R0.251 CCCCCCCCN(C)C(=O)C 240690a_100000207567_100015343762 [1,1,0,0,0,0|2,0,0]=4 9899 B12R0.251 CCCCCCCCN(C)C(=O)C 527a_100000207567_100103153847 [1,1,0,0,0,0|2,0,0]=4 9900 B12R0.251 CCCCCCCNC(C)C(=O)C 2230a_100000229938_100009814033 [1,1,0,0,0,0|2,0,0]=4 9901 B12R0.251 CCCCCCCNC(C)C(=O)N 2230a_100000229938_100000702099 [1,1,0,0,0,0|2,0,0]=4 9902 B12R0.251 CCCCCCCNC(F)C(=O)N 2230a_100000229938_100009813875 [1,1,0,0,0,0|2,0,0]=4 9903 B12R0.251 CCCCCCCN[C@@H](C)C(=O)O 269956a_100000743915_100000210614 [1,1,0,0,0,0|1,0,0]=3 9904 B12R0.251 CCCCCCCN[C@H](C)C(=O)N 2230a_100000119354_100000210681 [1,1,0,0,0,0|2,0,0]=4 9905 B12R0.251 CCCCCCCN[C@H](C)C(=O)N 34a_100000119354_100000210614 [1,1,0,0,0,0|2,0,0]=4 9906 B12R0.251 CCCCCCCOC(C)C(=O)C 34a_100000212229_100000210614 [1,1,0,0,0,0|2,0,0]=4 9907 B12R0.251 CCCCCCCOC(C)C(=O)C 7a_100000210272_100000179758 [1,1,0,0,0,0|2,0,0]=4 9908 B12R0.251 CCCCCCCOC(C)C(=O)N 34a_100000210272_100000702099 [1,1,0,0,0,0|2,0,0]=4 9909 B12R0.251 CCCCCCCOC(C)C(=O)N 7a_100000210272_100000702099 [1,1,0,0,0,0|2,0,0]=4 9910 B12R0.251 CCCCCCCOC(F)C(=O)N 34a_100000210272_100009813875 [1,1,0,0,0,0|2,0,0]=4 9911 B12R0.251 CCCCCCCOC(F)C(=O)N 7a_100000210272_100009813875 [1,1,0,0,0,0|2,0,0]=4 9912 B12R0.251 CCCCCCCOC(F)C(=O)[O-] 34a_100000210272_100020610796 [1,1,0,0,0,0|1,0,1]=4 9913 B12R0.251 CCCCCCCO[C@@H](C)C(=O)[O-] 7a_217856618621_100000210614 [1,1,0,0,0,0|1,0,1]=4 9914 B12R0.251 CCCCCCCO[C@H](C)C(=O)N 34a_100000731257_100000210614 [1,1,0,0,0,0|2,0,0]=4 9915 B12R0.251 CCCCCCCO[C@H](C)C(=O)N 7a_100000731257_100000210614 [1,1,0,0,0,0|2,0,0]=4 9916 B12R0.251 CCCCCCCSC(C)C(=O)C 62a_100000210614_100009814033 [1,1,0,0,0,0|2,0,0]=4 9917 B12R0.251 CCCCCCCSC(C)C(=O)C 62a_100009814033_100000210316 [1,1,0,0,0,0|2,0,0]=4 9918 B12R0.251 CCCCCCCSC(C)C(=O)N 62a_100000210614_100000702099 [1,1,0,0,0,0|2,0,0]=4 9919 B12R0.251 CCCCCCCSC(C)C(=O)N 62a_100000702099_100000210316 [1,1,0,0,0,0|2,0,0]=4 9920 B12R0.251 CCCCCCCSC(F)C(=O)N 62a_100000210614_100009813875 [1,1,0,0,0,0|2,0,0]=4 9921 B12R0.251 CCCCCCCSC(F)C(=O)N 62a_100009813875_100000210316 [1,1,0,0,0,0|2,0,0]=4 9922 B12R0.251 CCCCCCCSC(F)C(=O)[O-] 62a_100000210614_100020610796 [1,1,0,0,0,0|1,0,1]=4 9923 B12R0.251 CCCCCCCSC(F)C(=O)[O-] 62a_100020610796_100000210316 [1,1,0,0,0,0|1,0,1]=4 9924 B12R0.251 CCCCCCNCC(C)C(=O)O 269956a_100000749485_100000210757 [1,1,0,0,0,0|1,0,0]=3 9925 B12R0.251 CCCCCCNCC(F)C(=O)O 269956a_100000084737_100000210757 [1,1,0,0,0,0|1,0,0]=3 9926 B12R0.251 CCCCCCOCC(C)C(=O)C 34a_100000032740_100000210314 [1,1,0,0,0,0|2,0,0]=4 9927 B12R0.251 CCCCCCOCC(C)C(=O)C 7a_100000032740_100000210314 [1,1,0,0,0,0|2,0,0]=4 9928 B12R0.251 CCCCCCOC[C@H](N)C(=O)N 34a_100000729942_100000210314 [1,1,0,0,0,0|2,0,0]=4 9929 B12R0.251 CCCCOCCN[C@@H](C)C(=O)O 269956a_100000743915_100000743108 [1,1,0,0,0,0|2,0,0]=4 9930 B12R0.251 CCCCOCNCC(C)C(=O)O 269956a_100000749485_100011995733 [1,1,0,0,0,0|2,0,0]=4 9931 B12R0.251 CCCCOCNCC(F)C(=O)O 269956a_100000084737_100011995733 [1,1,0,0,0,0|2,0,0]=4 9932 B12R0.251 CCCOCCNCC(C)C(=O)O 269956a_100000749485_100011215938 [1,1,0,0,0,0|2,0,0]=4 9933 B12R0.251 CCCOCCNCC(F)C(=O)O 269956a_100000084737_100011215938 [1,1,0,0,0,0|2,0,0]=4 9934 B12R0.251 CCOCCCNCC(C)C(=O)O 269956a_100000749485_100012232248 [1,1,0,0,0,0|2,0,0]=4 9935 B12R0.251 CCOCCCNCC(F)C(=O)O 269956a_100000084737_100012232248 [1,1,0,0,0,0|2,0,0]=4 9936 B12R0.251 COCCCCNCC(C)C(=O)O 269956a_100000749485_100000730899 [1,1,0,0,0,0|2,0,0]=4 9937 B12R0.251 COCCCCNCC(F)C(=O)O 269956a_100000084737_100000730899 [1,1,0,0,0,0|2,0,0]=4 9938 B12R0.251 C[C@H](NCCCCCCF)C(=O)O 269956a_100000743915_100015922095 [1,1,0,0,0,0|2,0,0]=4 9939 B12R0.251 C[C@H](NCCCCCCO)C(=O)O 269956a_100000743915_100000766143 [1,1,0,0,0,0|2,0,0]=4 9940 B12R0.251 O=C(O)C(F)CNCCCCCF 269956a_100000084737_100000729378 [1,1,0,0,0,0|2,0,0]=4 9941 B12R0.251 O=C(O)C(F)CNCCCCCO 269956a_100000084737_100000746330 [1,1,0,0,0,0|2,0,0]=4 9942 B12R0.255 CCCCCCC(=O)CCC(=O)N 1458a_100011215257_100000210757 [1,1,0,0,0,0|1,0,1]=4 9943 B12R0.255 CCCCCCC(C)NCC(=O)N 2230a_100000210919_100000747473 [1,1,0,0,0,0|2,0,0]=4 9944 B12R0.255 CCCCCCC(C)NCC(=O)N 2230a_100000711301_100011215978 [1,1,0,0,0,0|2,0,0]=4 9945 B12R0.255 CCCCCCC(C)NCC(=O)N 34a_100000210919_100000187820 [1,1,0,0,0,0|2,0,0]=4 9946 B12R0.255 CCCCCCC(C)NCC(=O)O 269956a_100016091260_100011215978 [1,1,0,0,0,0|1,0,0]=3 9947 B12R0.255 CCCCCCC(C)NCC(=O)[O-] 34a_100000210919_100020667443 [1,1,0,0,0,0|1,0,1]=4 9948 B12R0.255 CCCCCCC(C)OCC(=O)C 34a_100000211253_100011215978 [1,1,0,0,0,0|2,0,0]=4 9949 B12R0.255 CCCCCCC(C)OCC(=O)N 34a_100000210265_100000187820 [1,1,0,0,0,0|2,0,0]=4 9950 B12R0.255 CCCCCCC(C)OCC(=O)N 7a_100000210265_100000187820 [1,1,0,0,0,0|2,0,0]=4 9951 B12R0.255 CCCCCCC(C)OCC(=O)[O-] 34a_100000210265_100020667443 [1,1,0,0,0,0|1,0,1]=4 9952 B12R0.255 CCCCCCC(C)SCC(=O)N 62a_100000747473_100011215978 [1,1,0,0,0,0|2,0,0]=4 9953 B12R0.255 CCCCCCC(C)SCC(=O)N 62a_100011215978_100000747473 [1,1,0,0,0,0|2,0,0]=4 9954 B12R0.255 CCCCCCC(C)SCC(=O)[O-] 62a_100011215978_100020667443 [1,1,0,0,0,0|1,0,1]=4 9955 B12R0.255 CCCCCCC(C)SCC(=O)[O-] 62a_100020667443_100011215978 [1,1,0,0,0,0|1,0,1]=4 9956 B12R0.255 CCCCCCN(C)CCC(=O)C 269982a_106256046315_100000053229 [1,1,0,0,0,0|2,0,0]=4 9957 B12R0.255 CCCCCCN(C)CCC(=O)N 2230a_100000730477_100000210314 [1,1,0,0,0,0|2,0,0]=4 9958 B12R0.255 CCCCCCN(C)CCC(=O)N 2230a_106256046315_100000744528 [1,1,0,0,0,0|2,0,0]=4 9959 B12R0.255 CCCCCCN(C)CCC(=O)N 269982a_106256046315_100000744528 [1,1,0,0,0,0|2,0,0]=4 9960 B12R0.268 CC(=O)CCCCOCCC(C)Br 34a_100009893172_100009817362 [1,1,0,0,0,0|2,0,0]=4 9961 B12R0.268 CC(=O)CCCCOCCC(C)C 34a_100000210254_100009817362 [1,1,0,0,0,0|2,0,0]=4 9962 B12R0.268 CC(=O)CCCCOCCC(C)C 7a_100000210254_100000735457 [1,1,0,0,0,0|2,0,0]=4 9963 B12R0.268 CC(=O)CCCCOCC[C@@H](C)N 34a_100000706166_100009817362 [1,1,0,0,0,0|2,0,0]=4 9964 B12R0.268 CC(=O)CCCCSCCC(C)C 62a_100000210312_100000735457 [1,1,0,0,0,0|2,0,0]=4 9965 B12R0.268 CC(=O)CCCCSCCC(C)C 62a_100000735457_100000210312 [1,1,0,0,0,0|2,0,0]=4 9966 B12R0.268 CC(=O)CCCCSCCC(C)O 62a_100000735457_100012276601 [1,1,0,0,0,0|2,0,0]=4 9967 B12R0.268 CC(=O)CCCCSCCC(C)O 62a_100012276601_100000735457 [1,1,0,0,0,0|2,0,0]=4 9968 B12R0.268 CC(=O)CCCNCCCC(C)C 34a_200000737386_100000685027 [1,1,0,0,0,0|2,0,0]=4 9969 B12R0.268 CC(=O)CCCOCCCC(C)C 34a_100000210774_100000685027 [1,1,0,0,0,0|2,0,0]=4 9970 B12R0.268 CC(=O)CCCOCCCC(C)C 34a_100000759063_100011214892 [1,1,0,0,0,0|2,0,0]=4 9971 B12R0.268 CC(=O)CCCOCCCC(C)C 7a_100000210774_100011215641 [1,1,0,0,0,0|2,0,0]=4 9972 B12R0.268 CC(=O)CCCOCCCC(C)C 7a_100000759063_100011214892 [1,1,0,0,0,0|2,0,0]=4 9973 B12R0.268 CC(=O)CCCOCCCC(C)O 34a_100000759063_200000718107 [1,1,0,0,0,0|2,0,0]=4 9974 B12R0.268 CC(=O)CCCOCCCC(C)O 7a_100000759063_200000718107 [1,1,0,0,0,0|2,0,0]=4 9975 B12R0.268 CC(=O)CCCSCCCC(C)C 62a_100011214892_100011215641 [1,1,0,0,0,0|2,0,0]=4 9976 B12R0.268 CC(=O)CCCSCCCC(C)C 62a_100011215641_100011214892 [1,1,0,0,0,0|2,0,0]=4 9977 B12R0.268 CC(=O)CCCSCCCC(C)O 62a_100011215641_200000718107 [1,1,0,0,0,0|2,0,0]=4 9978 B12R0.268 CC(=O)CCCSCCCC(C)O 62a_200000718107_100011215641 [1,1,0,0,0,0|2,0,0]=4 9979 B12R0.268 CC(=O)CCOCCCCC(C)C 34a_100000759926_100011216152 [1,1,0,0,0,0|2,0,0]=4 9980 B12R0.268 CC(=O)CCOCCCCC(C)C 7a_100000759926_100011216152 [1,1,0,0,0,0|2,0,0]=4 9981 B12R0.268 CC(=O)CCOCCCCC(C)C 7a_100011214890_100000053229 [1,1,0,0,0,0|2,0,0]=4 9982 B12R0.268 CC(=O)CCSCCCCC(C)C 62a_100000053229_100011216152 [1,1,0,0,0,0|2,0,0]=4 9983 B12R0.268 CC(=O)CCSCCCCC(C)C 62a_100011216152_100000053229 [1,1,0,0,0,0|2,0,0]=4 9984 B12R0.268 CC(=O)COCCCCCC(C)C 34a_100000211253_100000210682 [1,1,0,0,0,0|2,0,0]=4 9985 B12R0.268 CC(=O)NCCCCCCC(C)C 11a_100000211014_100015343762 [1,1,0,0,0,0|2,0,0]=4 9986 B12R0.268 CC(=O)NCCCCCCC(C)C 1626a_100000211014_100015343762 [1,1,0,0,0,0|2,0,0]=4 9987 B12R0.268 CC(=O)NCCCCCCC(C)C 240690a_100000211014_100015343762 [1,1,0,0,0,0|2,0,0]=4 9988 B12R0.268 CC(=O)NCCCCCCC(C)C 527a_100000211014_100103153847 [1,1,0,0,0,0|2,0,0]=4 9989 B12R0.268 CC(Br)COCCCCCC(=O)N 34a_100012180447_100009817443 [1,1,0,0,0,0|2,0,0]=4 9990 B12R0.268 CC(C)CCCCCNCC(=O)N 2230a_100000711301_100000210682 [1,1,0,0,0,0|2,0,0]=4 9991 B12R0.268 CC(C)CCCCCNCC(=O)N 2230a_100011290863_100000747473 [1,1,0,0,0,0|2,0,0]=4 9992 B12R0.268 CC(C)CCCCCNCC(=O)N 34a_100011290863_100000187820 [1,1,0,0,0,0|2,0,0]=4 9993 B12R0.268 CC(C)CCCCCNCC(=O)O 269956a_100016091260_100000210682 [1,1,0,0,0,0|1,0,0]=3 9994 B12R0.268 CC(C)CCCCCNCC(=O)[O-] 34a_100011290863_100020667443 [1,1,0,0,0,0|1,0,1]=4 9995 B12R0.268 CC(C)CCCCCOCC(=O)N 34a_100011995859_100000187820 [1,1,0,0,0,0|2,0,0]=4 9996 B12R0.268 CC(C)CCCCCOCC(=O)N 7a_100011995859_100000187820 [1,1,0,0,0,0|2,0,0]=4 9997 B12R0.268 CC(C)CCCCCOCC(=O)[O-] 34a_100011995859_100020667443 [1,1,0,0,0,0|1,0,1]=4 9998 B12R0.268 CC(C)CCCCCSCC(=O)N 62a_100000210682_100000747473 [1,1,0,0,0,0|2,0,0]=4 9999 B12R0.268 CC(C)CCCCCSCC(=O)N 62a_100000747473_100000210682 [1,1,0,0,0,0|2,0,0]=4 10000 B12R0.268 CC(C)CCCCCSCC(=O)[O-] 62a_100000210682_100020667443 [1,1,0,0,0,0|1,0,1]=4 10001 B12R0.268 CC(C)CCCCCSCC(=O)[O-] 62a_100020667443_100000210682 [1,1,0,0,0,0|1,0,1]=4 10002 B12R0.268 CC(C)CCCCNOCC(=O)O 269956a_100000106656_100011216152 [1,1,0,0,0,0|2,0,0]=4 10003 B12R0.268 CC(C)CCCCOCCC(=O)N 34a_100000757172_100011216152 [1,1,0,0,0,0|2,0,0]=4 10004 B12R0.268 CC(C)CCCCOCCC(=O)N 34a_100011214890_100000731001 [1,1,0,0,0,0|2,0,0]=4 10005 B12R0.268 CC(C)CCCCOCCC(=O)N 7a_100000757172_100011216152 [1,1,0,0,0,0|2,0,0]=4 10006 B12R0.268 CC(C)CCCCOCCC(=O)N 7a_100011214890_100000744528 [1,1,0,0,0,0|2,0,0]=4 10007 B12R0.268 CC(C)CCCCSCCC(=O)N 62a_100000744528_100011216152 [1,1,0,0,0,0|2,0,0]=4 10008 B12R0.268 CC(C)CCCCSCCC(=O)N 62a_100011216152_100000744528 [1,1,0,0,0,0|2,0,0]=4 10009 B12R0.268 CC(C)CCCNCCCC(=O)N 34a_100000739312_100011214892 [1,1,0,0,0,0|2,0,0]=4 10010 B12R0.268 CC(C)CCCNCCCC(=O)N 34a_200000737386_100102525003 [1,1,0,0,0,0|2,0,0]=4 10011 B12R0.268 CC(C)CCCOCCCC(=O)N 34a_100000210774_100102525003 [1,1,0,0,0,0|2,0,0]=4 10012 B12R0.268 CC(C)CCCOCCCC(=O)N 7a_100000210774_100102525003 [1,1,0,0,0,0|2,0,0]=4 10013 B12R0.268 CC(C)CCCSCCCC(=O)N 62a_100011214892_100102525003 [1,1,0,0,0,0|2,0,0]=4 10014 B12R0.268 CC(C)CCCSCCCC(=O)N 62a_100102525003_100011214892 [1,1,0,0,0,0|2,0,0]=4 10015 B12R0.268 CC(C)CCNCCCCC(=O)N 269862a_100000696515_100000185833 [1,1,0,0,0,0|2,0,0]=4 10016 B12R0.268 CC(C)CCNCCCCC(=O)N 34a_100000696515_100000210312 [1,1,0,0,0,0|2,0,0]=4 10017 B12R0.268 CC(C)CCNCCOCC(=O)O 269956a_100000700818_100000210312 [1,1,0,0,0,0|2,0,0]=4 10018 B12R0.268 CC(C)CCOCCCCC(=O)N 34a_100012022536_100000210312 [1,1,0,0,0,0|2,0,0]=4 10019 B12R0.268 CC(C)CCOCCCCC(=O)N 7a_100012022536_100000210626 [1,1,0,0,0,0|2,0,0]=4 10020 B12R0.268 CC(C)CNCCCCCC(=O)N 2230a_100000210953_100009817443 [1,1,0,0,0,0|2,0,0]=4 10021 B12R0.268 CC(C)CNCCCCCC(=O)N 34a_100000210953_100009817443 [1,1,0,0,0,0|2,0,0]=4 10022 B12R0.268 CC(C)COCCCCCC(=O)N 34a_100000123541_100000210624 [1,1,0,0,0,0|2,0,0]=4 10023 B12R0.268 CC(C)COCCCCCC(=O)N 34a_100000210257_100009817443 [1,1,0,0,0,0|2,0,0]=4 10024 B12R0.268 CC(C)COCCCCCC(=O)N 7a_100000123541_100000210760 [1,1,0,0,0,0|2,0,0]=4 10025 B12R0.268 CC(C)COCCCCCC(=O)[O-] 7a_100102619762_100000210760 [1,1,0,0,0,0|1,0,1]=4 10026 B12R0.268 CC(C)CSCCCCCC(=O)N 62a_100000210624_100009817443 [1,1,0,0,0,0|2,0,0]=4 10027 B12R0.268 CC(C)CSCCCCCC(=O)N 62a_100009817443_100000210760 [1,1,0,0,0,0|2,0,0]=4 10028 B12R0.268 CC(F)COCCCCCC(=O)N 34a_100015925927_100009817443 [1,1,0,0,0,0|2,0,0]=4 10029 B12R0.268 CC(O)CCCNCCCC(=O)N 34a_100000739312_200000718107 [1,1,0,0,0,0|2,0,0]=4 10030 B12R0.268 CC(O)CCCSCCCC(=O)N 62a_100102525003_200000718107 [1,1,0,0,0,0|2,0,0]=4 10031 B12R0.268 CC(O)CCCSCCCC(=O)N 62a_200000718107_100102525003 [1,1,0,0,0,0|2,0,0]=4 10032 B12R0.268 CC(O)CCNCCCCC(=O)N 34a_100000696515_100012276601 [1,1,0,0,0,0|2,0,0]=4 10033 B12R0.268 CC(O)CCNCCOCC(=O)O 269956a_100000700818_100012276601 [1,1,0,0,0,0|2,0,0]=4 10034 B12R0.268 CC(O)CCOCCCCC(=O)N 34a_100012022536_100012276601 [1,1,0,0,0,0|2,0,0]=4 10035 B12R0.268 CC(O)CCOCCCCC(=O)N 7a_100012022536_100012276601 [1,1,0,0,0,0|2,0,0]=4 10036 B12R0.268 CC(O)CNCCCCCC(=O)N 2230a_100000210904_100009817443 [1,1,0,0,0,0|2,0,0]=4 10037 B12R0.268 CC(O)CNCCCCCC(=O)N 34a_100000210904_100009817443 [1,1,0,0,0,0|2,0,0]=4 10038 B12R0.268 CC(O)COCCCCCC(=O)N 34a_100000123541_100011218427 [1,1,0,0,0,0|2,0,0]=4 10039 B12R0.268 CC(O)COCCCCCC(=O)N 7a_100000123541_100011218427 [1,1,0,0,0,0|2,0,0]=4 10040 B12R0.268 CC(O)COCCCCCC(=O)[O-] 7a_100102619762_100011218427 [1,1,0,0,0,0|1,0,1]=4 10041 B12R0.268 CC(O)CSCCCCCC(=O)N 62a_100009817443_100011218427 [1,1,0,0,0,0|2,0,0]=4 10042 B12R0.268 CC(O)CSCCCCCC(=O)N 62a_100011218427_100009817443 [1,1,0,0,0,0|2,0,0]=4 10043 B12R0.268 C[C@@H](Cl)COCCCCCC(=O)N 34a_100016084084_100009817443 [1,1,0,0,0,0|2,0,0]=4 10044 B12R0.268 C[C@@H](N)COCCCCCC(=O)N 34a_100000737577_100009817443 [1,1,0,0,0,0|2,0,0]=4 10045 B12R0.268 C[C@@H](O)COCCCCCC(=O)N 34a_100000123541_100009817552 [1,1,0,0,0,0|2,0,0]=4 10046 B12R0.268 C[C@@H](O)COCCCCCC(=O)N 7a_100000123541_100009817552 [1,1,0,0,0,0|2,0,0]=4 10047 B12R0.268 C[C@@H](O)COCCCCCC(=O)[O-] 7a_100102619762_100009817552 [1,1,0,0,0,0|1,0,1]=4 10048 B12R0.268 C[C@@H](O)CSCCCCCC(=O)N 62a_100009817443_100009817552 [1,1,0,0,0,0|2,0,0]=4 10049 B12R0.268 C[C@@H](O)CSCCCCCC(=O)N 62a_100009817552_100009817443 [1,1,0,0,0,0|2,0,0]=4 10050 B12R0.277 CCCC(=O)CCCCCC(=O)N 1458a_100000211992_100009817443 [1,1,0,0,0,0|1,0,1]=4 10051 B12R0.277 CCCC(C)CCCOCC(=O)N 34a_100011713154_100000187820 [1,1,0,0,0,0|2,0,0]=4 10052 B12R0.277 CCCC(C)CCCOCC(=O)N 7a_100011713154_100000187820 [1,1,0,0,0,0|2,0,0]=4 10053 B12R0.277 CCCC(C)CCCOCC(=O)[O-] 34a_100011713154_100020667443 [1,1,0,0,0,0|1,0,1]=4 10054 B12R0.277 CCCC(C)CCOCCC(=O)C 7a_100011217855_100000053229 [1,1,0,0,0,0|2,0,0]=4 10055 B12R0.277 CCCC(C)CCOCCC(=O)N 34a_100011217855_100000731001 [1,1,0,0,0,0|2,0,0]=4 10056 B12R0.277 CCCC(C)CCOCCC(=O)N 7a_100011217855_100000744528 [1,1,0,0,0,0|2,0,0]=4 10057 B12R0.277 CCCC(C)CNCCCC(=O)N 34a_100000739312_100011216630 [1,1,0,0,0,0|2,0,0]=4 10058 B12R0.277 CCCC(C)COCCCC(=O)C 34a_100000688023_100000685027 [1,1,0,0,0,0|2,0,0]=4 10059 B12R0.277 CCCC(C)COCCCC(=O)C 34a_100000759063_100011216630 [1,1,0,0,0,0|2,0,0]=4 10060 B12R0.277 CCCC(C)COCCCC(=O)C 7a_100000688023_100011215641 [1,1,0,0,0,0|2,0,0]=4 10061 B12R0.277 CCCC(C)COCCCC(=O)C 7a_100000759063_100011216630 [1,1,0,0,0,0|2,0,0]=4 10062 B12R0.277 CCCC(C)COCCCC(=O)N 34a_100000688023_100102525003 [1,1,0,0,0,0|2,0,0]=4 10063 B12R0.277 CCCC(C)COCCCC(=O)N 7a_100000688023_100102525003 [1,1,0,0,0,0|2,0,0]=4 10064 B12R0.277 CCCC(C)CSCCCC(=O)C 62a_100011215641_100011216630 [1,1,0,0,0,0|2,0,0]=4 10065 B12R0.277 CCCC(C)CSCCCC(=O)C 62a_100011216630_100011215641 [1,1,0,0,0,0|2,0,0]=4 10066 B12R0.277 CCCC(C)CSCCCC(=O)N 62a_100011216630_100102525003 [1,1,0,0,0,0|2,0,0]=4 10067 B12R0.277 CCCC(C)CSCCCC(=O)N 62a_100102525003_100011216630 [1,1,0,0,0,0|2,0,0]=4 10068 B12R0.277 CCCC(C)NCCCCC(=O)N 270004a_100000696515_100000211909 [1,1,0,0,0,0|2,0,0]=4 10069 B12R0.277 CCCC(C)NCCCCC(=O)N 34a_100000696515_100000766640 [1,1,0,0,0,0|2,0,0]=4 10070 B12R0.277 CCCC(C)NCCOCC(=O)O 269956a_100000700818_100000766640 [1,1,0,0,0,0|2,0,0]=4 10071 B12R0.277 CCCC(C)OCCCCC(=O)C 34a_100000764384_100009817362 [1,1,0,0,0,0|2,0,0]=4 10072 B12R0.277 CCCC(C)OCCCCC(=O)C 7a_100000764384_100000735457 [1,1,0,0,0,0|2,0,0]=4 10073 B12R0.277 CCCC(C)OCCCCC(=O)N 34a_100012022536_100000766640 [1,1,0,0,0,0|2,0,0]=4 10074 B12R0.277 CCCC(C)OCCCCC(=O)N 7a_100012022536_100000766640 [1,1,0,0,0,0|2,0,0]=4 10075 B12R0.277 CCCC(C)SCCCCC(=O)C 62a_100000735457_100000766640 [1,1,0,0,0,0|2,0,0]=4 10076 B12R0.277 CCCC(C)SCCCCC(=O)C 62a_100000766640_100000735457 [1,1,0,0,0,0|2,0,0]=4 10077 B12R0.277 CCCN(C)CCCCCC(=O)N 2230a_100000747261_100009817443 [1,1,0,0,0,0|2,0,0]=4 10078 B12R0.277 CCCN(C)CCCCCC(=O)N 269982a_100000747261_100009817443 [1,1,0,0,0,0|2,0,0]=4 10079 B12R0.277 CCC[C@H](N)CCOCCC(=O)N 34a_100015193777_100000731001 [1,1,0,0,0,0|2,0,0]=4 10080 B12R0.277 CCC[C@H](N)COCCCC(=O)C 34a_100000732646_100000685027 [1,1,0,0,0,0|2,0,0]=4 10081 B12R0.277 CCC[C@H](N)COCCCC(=O)N 34a_100000732646_100102525003 [1,1,0,0,0,0|2,0,0]=4 10082 B14R0.2 C#CCCCCCN(C)CCCC(=O)O 269956a_100000719178_100012094781 [0,2,0,0,0,0|0,0,2]=4 10083 B14R0.2 C=C(Br)CCOC(C)CCCCCCC 34a_100009813270_200011218727 [0,2,0,0,0,0|2,0,0]=4 10084 B14R0.2 C=C(C)CCOC(C)CCCCCCC 34a_100000764851_200011218727 [0,2,0,0,0,0|2,0,0]=4 10085 B14R0.2 C=C(C)CCOC(C)CCCCCCC 34a_200011215852_100000730704 [0,2,0,0,0,0|2,0,0]=4 10086 B14R0.2 C=C(C)CCOC(C)CCCCCCC 7a_200011215852_100000730704 [0,2,0,0,0,0|2,0,0]=4 10087 B14R0.2 C=C(C)CCSC(C)CCCCCCC 62a_100000730704_200011218727 [0,2,0,0,0,0|2,0,0]=4 10088 B14R0.2 C=C(C)CCSC(C)CCCCCCC 62a_200011218727_100000730704 [0,2,0,0,0,0|2,0,0]=4 10089 B14R0.2 C=CCCCCCN(C)CCCC(=O)O 269956a_100000719178_100000700193 [0,2,0,0,0,0|0,0,2]=4 10090 B14R0.2 CC(=O)CCCC(=O)CCCCCCO 1458a_100011996774_100011215641 [0,2,0,0,0,0|1,0,1]=4 10091 B14R0.2 CC(CCCC(=O)[O-])OCCCCCF 7a_100000761597_100000729378 [0,2,0,0,0,0|1,0,1]=4 10092 B14R0.2 CC(CCCC(=O)[O-])OCCCCCO 7a_100000761597_100000746330 [0,2,0,0,0,0|1,0,1]=4 10093 B14R0.2 CCCCCCCC(=O)CCCC(=O)C 1458a_100000211969_100011215641 [0,2,0,0,0,0|1,0,0]=3 10094 B14R0.2 CCCCCCCC(=O)CCCC(=O)N 1458a_100000211969_100102525003 [0,2,0,0,0,0|1,0,0]=3 10095 B14R0.2 CCCCCCCC(=O)CCCC(C)O 1458a_100000211969_200000718107 [0,2,0,0,0,0|1,0,1]=4 10096 B14R0.2 CCCCCCCC(=O)CCC[N+](=O)[O-] 1458a_100016109205_100000210614 [0,2,0,0,0,0|1,0,1]=4 10097 B14R0.2 CCCCCCCC(=O)CCNC(=O)C 1458a_100000183196_100000210614 [0,2,0,0,0,0|1,0,1]=4 10098 B14R0.2 CCCCCCCC(=O)CCNC(=O)C 1458a_100000211969_100000189650 [0,2,0,0,0,0|1,0,1]=4 10099 B14R0.2 CCCCCCCC(=O)CCNC(=O)N 1458a_100000181464_100000210614 [0,2,0,0,0,0|1,0,1]=4 10100 B14R0.2 CCCCCCCC(=O)CCNC(=O)N 1458a_100000211969_200000034859 [0,2,0,0,0,0|1,0,1]=4 10101 B14R0.2 CCCCCCCC(=O)CCOC(=O)C 1458a_100000211969_100009814007 [0,2,0,0,0,0|1,0,1]=4 10102 B14R0.2 CCCCCCCC(=O)CCOC(=O)N 1458a_100000211969_200011214921 [0,2,0,0,0,0|1,0,1]=4 10103 B14R0.2 CCCCCCCC(=O)CCSC(=O)C 1458a_100000048949_100000210614 [0,2,0,0,0,0|1,0,1]=4 10104 B14R0.2 CCCCCCCC(=O)COCC(=O)N 1458a_100011219004_100000210614 [0,2,0,0,0,0|1,0,1]=4 10105 B14R0.2 CCCCCCCC(=O)NCCC(=O)N 11a_100000740010_100000211969 [0,2,0,0,0,0|1,0,1]=4 10106 B14R0.2 CCCCCCCC(=O)NCCC(=O)N 240690a_100000740010_100000211969 [0,2,0,0,0,0|1,0,1]=4 10107 B14R0.2 CCCCCCCC(=O)NCCC(=O)N 527a_100000740010_100000211969 [0,2,0,0,0,0|1,0,1]=4 10108 B14R0.2 CCCCCCCC(C)NCCC(C)O 2230a_200000755665_200011218727 [0,2,0,0,0,0|1,0,1]=4 10109 B14R0.2 CCCCCCCC(C)NCCC(C)O 270004a_200000755665_100000210596 [0,2,0,0,0,0|1,0,1]=4 10110 B14R0.2 CCCCCCCC(C)NOCC(=O)O 269956a_100000106656_200011218727 [0,2,0,0,0,0|1,0,0]=3 10111 B14R0.2 CCCCCCCC(C)OCCC(=O)C 34a_100000759926_200011218727 [0,2,0,0,0,0|1,0,0]=3 10112 B14R0.2 CCCCCCCC(C)OCCC(=O)C 7a_100000759926_200011218727 [0,2,0,0,0,0|1,0,0]=3 10113 B14R0.2 CCCCCCCC(C)OCCC(=O)C 7a_200011215852_100000053229 [0,2,0,0,0,0|1,0,0]=3 10114 B14R0.2 CCCCCCCC(C)OCCC(=O)N 34a_100000757172_200011218727 [0,2,0,0,0,0|1,0,0]=3 10115 B14R0.2 CCCCCCCC(C)OCCC(=O)N 34a_200011215852_100000731001 [0,2,0,0,0,0|1,0,0]=3 10116 B14R0.2 CCCCCCCC(C)OCCC(=O)N 7a_100000757172_200011218727 [0,2,0,0,0,0|1,0,0]=3 10117 B14R0.2 CCCCCCCC(C)OCCC(=O)N 7a_200011215852_100000744528 [0,2,0,0,0,0|1,0,0]=3 10118 B14R0.2 CCCCCCCC(C)OCCC(C)O 34a_200011215852_100012276601 [0,2,0,0,0,0|1,0,1]=4 10119 B14R0.2 CCCCCCCC(C)OCCC(C)O 7a_200011215852_100012276601 [0,2,0,0,0,0|1,0,1]=4 10120 B14R0.2 CCCCCCCC(C)OCOC(=O)C 34a_200011215852_100009813279 [0,2,0,0,0,0|2,0,0]=4 10121 B14R0.2 CCCCCCCC(C)SCCC(=O)C 62a_100000053229_200011218727 [0,2,0,0,0,0|1,0,0]=3 10122 B14R0.2 CCCCCCCC(C)SCCC(=O)C 62a_200011218727_100000053229 [0,2,0,0,0,0|1,0,0]=3 10123 B14R0.2 CCCCCCCC(C)SCCC(=O)N 62a_100000744528_200011218727 [0,2,0,0,0,0|1,0,0]=3 10124 B14R0.2 CCCCCCCC(C)SCCC(=O)N 62a_200011218727_100000744528 [0,2,0,0,0,0|1,0,0]=3 10125 B14R0.2 CCCCCCCC(C)SCCC(C)O 62a_100012276601_200011218727 [0,2,0,0,0,0|1,0,1]=4 10126 B14R0.2 CCCCCCCC(C)SCCC(C)O 62a_200011218727_100012276601 [0,2,0,0,0,0|1,0,1]=4 10127 B14R0.2 CCCCCCCC(C)SCOC(=O)C 62a_100000076356_200011218727 [0,2,0,0,0,0|2,0,0]=4 10128 B14R0.2 CCCCCCCC(C)SCOC(=O)C 62a_200011218727_100000076356 [0,2,0,0,0,0|2,0,0]=4 10129 B14R0.2 CCCCCCCN(C)CCCC(=O)C 269982a_100000228206_100011215641 [0,2,0,0,0,0|1,0,0]=3 10130 B14R0.2 CCCCCCCN(C)CCCC(=O)N 269982a_100000228206_100102525003 [0,2,0,0,0,0|1,0,0]=3 10131 B14R0.2 CCCCCCCN(C)CCCC(=O)O 269956a_100000719178_100000210614 [0,2,0,0,0,0|0,0,0]=2 10132 B14R0.2 CCCCCCCN(C)CCCC(C)O 2230a_100000228206_200000718107 [0,2,0,0,0,0|1,0,1]=4 10133 B14R0.2 CCCCCCCN(C)CCCC(C)O 269982a_100000228206_200000718107 [0,2,0,0,0,0|1,0,1]=4 10134 B14R0.2 CCCCCCCN(C)CCNC(=O)C 2230a_100000228206_100000189650 [0,2,0,0,0,0|2,0,0]=4 10135 B14R0.2 CCCCCCCN(C)CCNC(=O)C 269982a_100000228206_100000189650 [0,2,0,0,0,0|2,0,0]=4 10136 B14R0.2 CCCCCCCN(C)CCNC(=O)N 2230a_100000228206_200000034859 [0,2,0,0,0,0|2,0,0]=4 10137 B14R0.2 CCCCCCCN(C)CCNC(=O)N 269982a_100000228206_200000034859 [0,2,0,0,0,0|2,0,0]=4 10138 B14R0.2 CCCCCCCN(C)CCOC(=O)C 269982a_100000228206_100009814007 [0,2,0,0,0,0|2,0,0]=4 10139 B14R0.2 CCCCCCCN(C)CCOC(=O)N 269982a_100000228206_200011214921 [0,2,0,0,0,0|2,0,0]=4 10140 B14R0.2 CCCCCCNC(=O)CNCC(=O)O 269956a_100016091260_100000230325 [0,2,0,0,0,0|1,0,1]=4 10141 B14R0.2 CCCCCCOC(C)CCCC(=O)[O-] 7a_100000761597_100000210314 [0,2,0,0,0,0|0,0,1]=3 10142 B14R0.2 CCCCOCCN(C)CCCC(=O)O 269956a_100000719178_100000743108 [0,2,0,0,0,0|1,0,0]=3 10143 B14R0.2 CCCOCCOC(C)CCCC(=O)[O-] 7a_100000761597_100011215938 [0,2,0,0,0,0|1,0,1]=4 10144 B14R0.2 CCOCCCOC(C)CCCC(=O)[O-] 7a_100000761597_100012232248 [0,2,0,0,0,0|1,0,1]=4 10145 B14R0.2 CN(CCCCCC#N)CCCC(=O)O 269956a_100000719178_100009813376 [0,2,0,0,0,0|1,0,1]=4 10146 B14R0.2 CN(CCCCCC=O)CCCC(=O)O 269956a_100000719178_100000139337 [0,2,0,0,0,0|1,0,1]=4 10147 B14R0.2 CN(CCCCCCF)CCCC(=O)O 269956a_100000719178_100015922095 [0,2,0,0,0,0|1,0,0]=3 10148 B14R0.2 CN(CCCCCCO)CCCC(=O)O 269956a_100000719178_100000766143 [0,2,0,0,0,0|1,0,0]=3 10149 B14R0.2 COCCCCCC(=O)CCCC(=O)C 1458a_100011935119_100011215641 [0,2,0,0,0,0|1,0,1]=4 10150 B14R0.2 COCCCCCC(=O)CCCC(=O)N 1458a_100011935119_100102525003 [0,2,0,0,0,0|1,0,1]=4 10151 B14R0.2 COCCCCOC(C)CCCC(=O)[O-] 7a_100000761597_100000730899 [0,2,0,0,0,0|1,0,1]=4 10152 B14R0.2 COCCOCCN(C)CCCC(=O)O 269956a_100000719178_100000695917 [0,2,0,0,0,0|2,0,0]=4 10153 B14R0.2 NC(=O)CCCC(=O)CCCCCCO 1458a_100011996774_100102525003 [0,2,0,0,0,0|1,0,1]=4 10154 B14R0.12 CCCCCCC(=O)CCCC(=O)NC 1458a_100102632555_100000741757 [0,2,0,0,0,0|1,0,1]=4 10155 B14R0.12 CCCCCCC(=O)CCCC(=O)OC 1458a_100000239890_100000210757 [0,2,0,0,0,0|0,0,1]=3 10156 B14R0.12 CCCCCCC(=O)CCCC(=O)OC 1458a_100102632555_100011218270 [0,2,0,0,0,0|0,0,1]=3 10157 B14R0.12 CCCCCCC(=O)CSCC(=O)OC 1458a_100000191316_100000210757 [0,2,0,0,0,0|1,0,1]=4 10158 B14R0.12 CCCCCCC(=O)NCCC(=O)OC 188690a_100000683876_100102632555 [0,2,0,0,0,0|1,0,1]=4 10159 B14R0.12 CCCCCCC(C)NCCC(=O)NC 2230a_100000210919_100000737683 [0,2,0,0,0,0|2,0,0]=4 10160 B14R0.12 CCCCCCC(C)NCCC(=O)NC 2230a_100000738227_100011215978 [0,2,0,0,0,0|2,0,0]=4 10161 B14R0.12 CCCCCCC(C)NCCC(=O)NC 270004a_100000738227_100000210826 [0,2,0,0,0,0|2,0,0]=4 10162 B14R0.12 CCCCCCC(C)NCCC(=O)NC 34a_100000210919_100012179268 [0,2,0,0,0,0|2,0,0]=4 10163 B14R0.12 CCCCCCC(C)NCCC(=O)NC 34a_100000738227_100011215978 [0,2,0,0,0,0|2,0,0]=4 10164 B14R0.12 CCCCCCC(C)NCCC(=O)OC 2230a_100000210919_100000204255 [0,2,0,0,0,0|1,0,0]=3 10165 B14R0.12 CCCCCCC(C)NCCC(=O)OC 34a_100000210919_100000742370 [0,2,0,0,0,0|1,0,0]=3 10166 B14R0.12 CCCCCCC(C)OCCC(=NO)N 34a_100000749954_100011215978 [0,2,0,0,0,0|2,0,0]=4 10167 B14R0.12 CCCCCCC(C)OCCC(=O)NC 34a_100000210265_100012179268 [0,2,0,0,0,0|2,0,0]=4 10168 B14R0.12 CCCCCCC(C)OCCC(=O)NC 34a_100000754576_100011215978 [0,2,0,0,0,0|2,0,0]=4 10169 B14R0.12 CCCCCCC(C)OCCC(=O)NC 7a_100000210265_100000737683 [0,2,0,0,0,0|2,0,0]=4 10170 B14R0.12 CCCCCCC(C)OCCC(=O)OC 34a_100000210265_100000742370 [0,2,0,0,0,0|1,0,0]=3 10171 B14R0.12 CCCCCCC(C)OCCC(=O)OC 7a_100000210265_100000204255 [0,2,0,0,0,0|1,0,0]=3 10172 B14R0.12 CCCCCCC(C)SCCC(=O)NC 62a_100000737683_100011215978 [0,2,0,0,0,0|2,0,0]=4 10173 B14R0.12 CCCCCCC(C)SCCC(=O)NC 62a_100011215978_100000737683 [0,2,0,0,0,0|2,0,0]=4 10174 B14R0.12 CCCCCCC(C)SCCC(=O)OC 62a_100000204255_100011215978 [0,2,0,0,0,0|1,0,0]=3 10175 B14R0.12 CCCCCCC(C)SCCC(=O)OC 62a_100011215978_100000204255 [0,2,0,0,0,0|1,0,0]=3 10176 B14R0.12 CCCCCCC(C)SCOC(=O)OC 62a_100011215978_100000139417 [0,2,0,0,0,0|2,0,0]=4 10177 B14R0.12 CCCCCCN(C)CCCC(=O)NC 2230a_106256046315_100000741757 [0,2,0,0,0,0|2,0,0]=4 10178 B14R0.12 CCCCCCN(C)CCCC(=O)NC 269982a_106256046315_100000741757 [0,2,0,0,0,0|2,0,0]=4 10179 B14R0.12 CCCCCCN(C)CCCC(=O)OC 2230a_106256046315_100011218270 [0,2,0,0,0,0|1,0,0]=3 10180 B14R0.12 CCCCCCN(C)CCCC(=O)OC 269982a_100000739225_100000210757 [0,2,0,0,0,0|1,0,0]=3 10181 B14R0.12 CCCCCCN(C)CCCC(=O)OC 269982a_106256046315_100011218270 [0,2,0,0,0,0|1,0,0]=3 10182 B14R0.12 CCCCCNC(=O)CCCC(=O)OC 11a_100000209983_100000239890 [0,2,0,0,0,0|1,0,1]=4 10183 B14R0.12 CCCCCNC(=O)CCCC(=O)OC 1626a_100000209983_100000239890 [0,2,0,0,0,0|1,0,1]=4 10184 B14R0.12 CCCCCNC(=O)CCCC(=O)OC 240690a_100000209983_100000239890 [0,2,0,0,0,0|1,0,1]=4 10185 B14R0.12 CCCCCNC(=O)CCCC(=O)OC 527a_100000209983_100000239890 [0,2,0,0,0,0|1,0,1]=4 10186 B14R0.12 CCCCOCC(=O)CCCC(=O)OC 1458a_100000239890_100011995733 [0,2,0,0,0,0|1,0,1]=4 10187 B14R0.12 CCCCOCC(=O)CCCC(=O)OC 1458a_100000757543_100011218270 [0,2,0,0,0,0|1,0,1]=4 10188 B14R0.12 CCCCOCC(C)OCCC(=O)OC 34a_100011217071_100000742370 [0,2,0,0,0,0|2,0,0]=4 10189 B14R0.12 CCCCOCC(C)OCCC(=O)OC 7a_100011217071_100000204255 [0,2,0,0,0,0|2,0,0]=4 10190 B14R0.12 CCCCOCN(C)CCCC(=O)OC 269982a_100000739225_100011995733 [0,2,0,0,0,0|2,0,0]=4 10191 B14R0.12 CCCCSCC(=O)CCCC(=O)OC 1458a_100000191162_100011218270 [0,2,0,0,0,0|1,0,1]=4 10192 B14R0.12 CCCOCCC(=O)CCCC(=O)OC 1458a_100000239890_100011215938 [0,2,0,0,0,0|1,0,1]=4 10193 B14R0.12 CCCOCCN(C)CCCC(=O)OC 269982a_100000739225_100011215938 [0,2,0,0,0,0|2,0,0]=4 10194 B14R0.12 CCOCCCC(=O)CCCC(=O)OC 1458a_100000239890_100012232248 [0,2,0,0,0,0|1,0,1]=4 10195 B14R0.12 CCOCCCN(C)CCCC(=O)OC 269982a_100000739225_100012232248 [0,2,0,0,0,0|2,0,0]=4 10196 B14R0.12 COC(=O)CCCC(=O)CCCCCF 1458a_100000239890_100000729378 [0,2,0,0,0,0|1,0,1]=4 10197 B14R0.12 COC(=O)CCCC(=O)CCCCCO 1458a_100000239890_100000746330 [0,2,0,0,0,0|1,0,1]=4 10198 B14R0.12 COC(=O)CCCC(=O)CCCCCO 1458a_100102619762_100011218270 [0,2,0,0,0,0|1,0,1]=4 10199 B14R0.12 COC(=O)CCCN(C)CCCCCF 269982a_100000739225_100000729378 [0,2,0,0,0,0|2,0,0]=4 10200 B14R0.12 COC(=O)CCCN(C)CCCCCO 2230a_100000722520_100011218270 [0,2,0,0,0,0|2,0,0]=4 10201 B14R0.12 COC(=O)CCCN(C)CCCCCO 269982a_100000722520_100011218270 [0,2,0,0,0,0|2,0,0]=4 10202 B14R0.12 COC(=O)CCCN(C)CCCCCO 269982a_100000739225_100000746330 [0,2,0,0,0,0|2,0,0]=4 10203 B14R0.12 COCCCCC(=O)CCCC(=O)OC 1458a_100000239890_100000755781 [0,2,0,0,0,0|1,0,1]=4 10204 B14R0.12 COCCCCN(C)CCCC(=O)OC 269982a_100000739225_100000730899 [0,2,0,0,0,0|2,0,0]=4 10205 B14R0.67 CC(=O)CCCC(=O)CCCCC(C)C 1458a_100011933920_100011215641 [0,2,0,0,0,0|1,0,1]=4 10206 B14R0.67 CC(=O)CCCCC(=O)CCCC(C)C 1458a_100011216857_100000735457 [0,2,0,0,0,0|1,0,1]=4 10207 B14R0.67 CC(=O)CCCCN(C)CCCC(=O)O 269956a_100000719178_100000735457 [0,2,0,0,0,0|1,0,1]=4 10208 B14R0.67 CC(=O)CCCOC(C)CCCC(C)C 34a_200011218570_100000685027 [0,2,0,0,0,0|2,0,0]=4 10209 B14R0.67 CC(=O)CCCOC(C)CCCC(C)C 7a_200011218570_100011215641 [0,2,0,0,0,0|2,0,0]=4 10210 B14R0.67 CC(=O)COCCC(C)CCCC(C)C 34a_100000211253_100009816328 [0,2,0,0,0,0|2,0,0]=4 10211 B14R0.67 CC(C)CCCC(C)CCNCC(=O)N 2230a_100000711301_100009816328 [0,2,0,0,0,0|2,0,0]=4 10212 B14R0.67 CC(C)CCCC(C)CCNCC(=O)N 2230a_102516457229_100000747473 [0,2,0,0,0,0|2,0,0]=4 10213 B14R0.67 CC(C)CCCC(C)CCNCC(=O)O 269956a_100016091260_100009816328 [0,2,0,0,0,0|1,0,0]=3 10214 B14R0.67 CC(C)CCCC(C)CCOCC(=O)N 34a_100000015991_100000187820 [0,2,0,0,0,0|2,0,0]=4 10215 B14R0.67 CC(C)CCCC(C)CCOCC(=O)N 7a_100000015991_100000187820 [0,2,0,0,0,0|2,0,0]=4 10216 B14R0.67 CC(C)CCCC(C)CCOCC(=O)[O-] 34a_100000015991_100020667443 [0,2,0,0,0,0|1,0,1]=4 10217 B14R0.67 CC(C)CCCC(C)CCSCC(=O)N 62a_100000747473_100009816328 [0,2,0,0,0,0|2,0,0]=4 10218 B14R0.67 CC(C)CCCC(C)CCSCC(=O)N 62a_100009816328_100000747473 [0,2,0,0,0,0|2,0,0]=4 10219 B14R0.67 CC(C)CCCC(C)CCSCC(=O)[O-] 62a_100009816328_100020667443 [0,2,0,0,0,0|1,0,1]=4 10220 B14R0.67 CC(C)CCCC(C)CCSCC(=O)[O-] 62a_100020667443_100009816328 [0,2,0,0,0,0|1,0,1]=4 10221 B14R0.67 CC(C)CCCC(C)OCCCC(=O)N 34a_200011218570_100102525003 [0,2,0,0,0,0|2,0,0]=4 10222 B14R0.67 CC(C)CCCC(C)OCCCC(=O)N 7a_200011218570_100102525003 [0,2,0,0,0,0|2,0,0]=4 10223 B14R0.67 CC(C)CCCCC(=O)CCCC(=O)N 1458a_100011933920_100102525003 [0,2,0,0,0,0|1,0,1]=4 10224 B14R0.67 CC(C)CCCCN(C)CCCC(=O)O 269956a_100000719178_100011216152 [0,2,0,0,0,0|1,0,0]=3 10225 B14R0.67 CC(C)CCCOC(C)CCCC(=O)[O-] 7a_100000761597_100011214892 [0,2,0,0,0,0|1,0,1]=4 10226 B14R0.67 CC(O)CCCOC(C)CCCC(=O)[O-] 7a_100000761597_200000718107 [0,2,0,0,0,0|1,0,1]=4 10227 B14R0.67 CN(C)CCCCN(C)CCCC(=O)O 269956a_100000719178_100000690147 [0,2,0,0,0,0|2,0,0]=4 10228 B14R0.74 CCCCC(C)OC(C)CCCC(=O)[O-] 7a_100000761597_200011215066 [0,2,0,0,0,0|1,0,1]=4 10229 B14R0.180 CCCCCCC(C)NCC(C)C(=O)O 269956a_100000749485_100011215978 [0,2,0,0,0,0|1,0,0]=3 10230 B14R0.180 CCCCCCC(C)NCC(F)C(=O)O 269956a_100000084737_100011215978 [0,2,0,0,0,0|1,0,0]=3 10231 B14R0.180 CCCCCCC(C)OCC(C)C(=O)C 34a_100000032740_100011215978 [0,2,0,0,0,0|2,0,0]=4 10232 B14R0.180 CCCCCCC(C)OCC(C)C(=O)C 7a_100000032740_100011215978 [0,2,0,0,0,0|2,0,0]=4 10233 B14R0.180 CCCCCCC(C)OC[C@H](N)C(=O)N 34a_100000729942_100011215978 [0,2,0,0,0,0|2,0,0]=4 10234 B14R0.186 CCCCCC(C)C(=O)CCCC(=O)C 1458a_100011215998_100011215641 [0,2,0,0,0,0|1,0,1]=4 10235 B14R0.186 CCCCCC(C)C(=O)CCCC(=O)N 1458a_100011215998_100102525003 [0,2,0,0,0,0|1,0,1]=4 10236 B14R0.186 CCCCCC(C)N(C)CCCC(=O)O 269956a_100000719178_200011218191 [0,2,0,0,0,0|1,0,0]=3 10237 B14R0.304 CCN(C)CCCN(C)CCCC(=O)O 269956a_100000719178_100015186262 [0,2,0,0,0,0|2,0,0]=4 10238 B14R0.343 C=CC(CCCCCC)OCCC(=O)C 7a_200011215977_100000053229 [0,2,0,0,0,0|2,0,0]=4 10239 B14R0.343 C=CC(CCCCCC)OCCC(=O)N 34a_200011215977_100000731001 [0,2,0,0,0,0|2,0,0]=4 10240 B14R0.343 C=CC(CCCCCC)OCCC(=O)N 7a_200011215977_100000744528 [0,2,0,0,0,0|2,0,0]=4 10241 B14R0.343 CCCCCCC(CC)OCCC(=O)C 7a_100011215785_100000053229 [0,2,0,0,0,0|2,0,0]=4 10242 B14R0.343 CCCCCCC(CC)OCCC(=O)N 34a_100011215785_100000731001 [0,2,0,0,0,0|2,0,0]=4 10243 B14R0.343 CCCCCCC(CC)OCCC(=O)N 7a_100011215785_100000744528 [0,2,0,0,0,0|2,0,0]=4 10244 B14R0.431 CCCC(C)COC(C)CCCC(=O)[O-] 7a_100000761597_100011216630 [0,2,0,0,0,0|1,0,1]=4 10245 B14R0.511 CCCCCCC(C)C(=O)CCC(=O)N 1458a_100011215257_100011215978 [0,2,0,0,0,0|1,0,1]=4 10246 B14R0.511 CCCCCCC(C)N(C)CCC(=O)N 2230a_100000730477_100011215978 [0,2,0,0,0,0|2,0,0]=4 10247 B14R0.511 CCCCCCC(C)N(C)CCC(=O)N 270004a_100000730477_100000210826 [0,2,0,0,0,0|2,0,0]=4 10248 B14R0.2149 CCCCCCC(C)(C)OCCC(=O)C 7a_200011995690_100000053229 [0,2,0,0,0,0|2,0,0]=4 10249 B14R0.2149 CCCCCCC(C)(C)OCCC(=O)N 7a_200011995690_100000744528 [0,2,0,0,0,0|2,0,0]=4 10250 B14R0.68 C=C(C)CCNCCCCCCC(C)C 2230a_100000211014_100000730704 [0,2,0,0,0,0|2,0,0]=4 10251 B14R0.68 C=C(C)CCNCCCCCCC(C)C 34a_100000211014_100000730704 [0,2,0,0,0,0|2,0,0]=4 10252 B14R0.68 C=C(C)COCCCCCCCC(C)C 34a_200000210741_100000748629 [0,2,0,0,0,0|2,0,0]=4 10253 B14R0.68 C=C(C)COCCCCCCCC(C)C 7a_200000210741_100000748629 [0,2,0,0,0,0|2,0,0]=4 10254 B14R0.68 C=C(F)COCCCCCCCC(C)C 34a_200000210741_100009893438 [0,2,0,0,0,0|2,0,0]=4 10255 B14R0.68 C=C(F)COCCCCCCCC(C)C 7a_200000210741_100000042424 [0,2,0,0,0,0|2,0,0]=4 10256 B14R0.68 CC(=O)CCCCNCCCCC(=O)N 34a_100000696515_100009817362 [0,2,0,0,0,0|1,0,1]=4 10257 B14R0.68 CC(=O)CCCCNCCCOC(C)C 34a_100000737246_100009817362 [0,2,0,0,0,0|2,0,0]=4 10258 B14R0.68 CC(=O)CCCCNCCOCC(=O)O 269956a_100000700818_100000735457 [0,2,0,0,0,0|1,0,1]=4 10259 B14R0.68 CC(=O)CCCCOCCCCC(=O)N 34a_100012022536_100009817362 [0,2,0,0,0,0|1,0,1]=4 10260 B14R0.68 CC(=O)CCCCOCCCCC(=O)N 7a_100012022536_100000735457 [0,2,0,0,0,0|1,0,1]=4 10261 B14R0.68 CC(=O)CCCCOCCCCC(C)C 34a_100011214890_100009817362 [0,2,0,0,0,0|1,0,0]=3 10262 B14R0.68 CC(=O)CCCCOCCCCC(C)C 7a_100011214890_100000735457 [0,2,0,0,0,0|1,0,0]=3 10263 B14R0.68 CC(=O)CCCCOCCCNC(C)C 34a_100000182298_100009817362 [0,2,0,0,0,0|2,0,0]=4 10264 B14R0.68 CC(=O)CCCCOCCNCC(C)C 34a_100015185251_100009817362 [0,2,0,0,0,0|2,0,0]=4 10265 B14R0.68 CC(=O)CCCCOCCOCC(C)C 34a_100000703358_100009817362 [0,2,0,0,0,0|2,0,0]=4 10266 B14R0.68 CC(=O)CCCCOCCOCC(C)C 7a_100000703358_100000735457 [0,2,0,0,0,0|2,0,0]=4 10267 B14R0.68 CC(=O)CCCCOCCSCC(C)C 34a_200000230437_100009817362 [0,2,0,0,0,0|2,0,0]=4 10268 B14R0.68 CC(=O)CCCCOCCSCC(C)C 7a_200000230437_100000735457 [0,2,0,0,0,0|2,0,0]=4 10269 B14R0.68 CC(=O)CCCCSCCCCC(=O)C 62a_100000735457_100000735457 [0,2,0,0,0,0|1,0,1]=4 10270 B14R0.68 CC(=O)CCCCSCCCCC(C)C 62a_100000735457_100011216152 [0,2,0,0,0,0|1,0,0]=3 10271 B14R0.68 CC(=O)CCCCSCCCCC(C)C 62a_100011216152_100000735457 [0,2,0,0,0,0|1,0,0]=3 10272 B14R0.68 CC(=O)CCCCSCCCCN(C)C 62a_100000735457_100000690147 [0,2,0,0,0,0|2,0,0]=4 10273 B14R0.68 CC(=O)CCCNCCCCCC(C)C 34a_100011290863_100000685027 [0,2,0,0,0,0|1,0,0]=3 10274 B14R0.68 CC(=O)CCCNCCCOCC(C)C 34a_100000205972_100000685027 [0,2,0,0,0,0|2,0,0]=4 10275 B14R0.68 CC(=O)CCCOCCCCCC(=O)N 34a_100000123541_100000685027 [0,2,0,0,0,0|1,0,1]=4 10276 B14R0.68 CC(=O)CCCOCCCCCC(=O)N 34a_100000759063_100009817443 [0,2,0,0,0,0|1,0,1]=4 10277 B14R0.68 CC(=O)CCCOCCCCCC(=O)N 7a_100000123541_100011215641 [0,2,0,0,0,0|1,0,1]=4 10278 B14R0.68 CC(=O)CCCOCCCCCC(=O)N 7a_100000759063_100009817443 [0,2,0,0,0,0|1,0,1]=4 10279 B14R0.68 CC(=O)CCCOCCCCCC(=O)[O-] 7a_100102619762_100011215641 [0,2,0,0,0,0|0,0,2]=4 10280 B14R0.68 CC(=O)CCCOCCCCCC(C)C 34a_100000759063_100000210682 [0,2,0,0,0,0|1,0,0]=3 10281 B14R0.68 CC(=O)CCCOCCCCCC(C)C 34a_100011995859_100000685027 [0,2,0,0,0,0|1,0,0]=3 10282 B14R0.68 CC(=O)CCCOCCCCCC(C)C 7a_100000759063_100000210682 [0,2,0,0,0,0|1,0,0]=3 10283 B14R0.68 CC(=O)CCCOCCCCCC(C)C 7a_100011995859_100011215641 [0,2,0,0,0,0|1,0,0]=3 10284 B14R0.68 CC(=O)CCCOCCCCNC(C)C 34a_100011521146_100000685027 [0,2,0,0,0,0|2,0,0]=4 10285 B14R0.68 CC(=O)CCCSCCCCCC(=O)N 62a_100009817443_100011215641 [0,2,0,0,0,0|1,0,1]=4 10286 B14R0.68 CC(=O)CCCSCCCCCC(=O)N 62a_100011215641_100009817443 [0,2,0,0,0,0|1,0,1]=4 10287 B14R0.68 CC(=O)CCCSCCCCCC(C)C 62a_100000210682_100011215641 [0,2,0,0,0,0|1,0,0]=3 10288 B14R0.68 CC(=O)CCCSCCCCCC(C)C 62a_100011215641_100000210682 [0,2,0,0,0,0|1,0,0]=3 10289 B14R0.68 CC(=O)NCCCCCCNCC(C)C 2230a_200011996284_100000210760 [0,2,0,0,0,0|2,0,0]=4 10290 B14R0.68 CC(=O)NCCCCCCNCC(C)C 270004a_200011996284_100000210432 [0,2,0,0,0,0|2,0,0]=4 10291 B14R0.68 CC(=O)NCCCCCCNCC(C)C 34a_200011996284_100000210624 [0,2,0,0,0,0|2,0,0]=4 10292 B14R0.68 CC(=O)NCCCCCCNCC(C)O 2230a_200011996284_100011218427 [0,2,0,0,0,0|2,0,0]=4 10293 B14R0.68 CC(=O)NCCCCCCNCC(C)O 34a_200011996284_100011218427 [0,2,0,0,0,0|2,0,0]=4 10294 B14R0.68 CC(=O)NCCCCCCNC[C@@H](C)O 2230a_200011996284_100009817552 [0,2,0,0,0,0|2,0,0]=4 10295 B14R0.68 CC(=O)NCCCCCCNC[C@@H](C)O 34a_200011996284_100009817552 [0,2,0,0,0,0|2,0,0]=4 10296 B14R0.68 CC(=O)NCCCCCNCCC(C)C 2230a_200012022750_100000210312 [0,2,0,0,0,0|2,0,0]=4 10297 B14R0.68 CC(=O)NCCCCCNCCC(C)C 269862a_200012022750_100000185833 [0,2,0,0,0,0|2,0,0]=4 10298 B14R0.68 CC(=O)NCCCCCNCCC(C)C 34a_200012022750_100000210312 [0,2,0,0,0,0|2,0,0]=4 10299 B14R0.68 CC(=O)NCCCCCNCCC(C)O 2230a_200012022750_100012276601 [0,2,0,0,0,0|2,0,0]=4 10300 B14R0.68 CC(=O)NCCCCCNCCC(C)O 34a_200012022750_100012276601 [0,2,0,0,0,0|2,0,0]=4 10301 B14R0.68 CC(=O)NCCCCNCCCC(C)C 2230a_200011368371_100011214892 [0,2,0,0,0,0|2,0,0]=4 10302 B14R0.68 CC(=O)NCCCCNCCCC(C)C 34a_200011368371_100011214892 [0,2,0,0,0,0|2,0,0]=4 10303 B14R0.68 CC(=O)NCCCCNCCCC(C)O 2230a_200011368371_200000718107 [0,2,0,0,0,0|2,0,0]=4 10304 B14R0.68 CC(=O)NCCCCNCCCC(C)O 34a_200011368371_200000718107 [0,2,0,0,0,0|2,0,0]=4 10305 B14R0.68 CC(=O)NCCCNCCCCC(C)C 34a_100000736810_100011216152 [0,2,0,0,0,0|2,0,0]=4 10306 B14R0.68 CC(=O)NCCCOCCCCC(C)C 34a_100000752032_100011216152 [0,2,0,0,0,0|2,0,0]=4 10307 B14R0.68 CC(=O)NCCNCCCCCC(C)C 2230a_100000209853_100000210682 [0,2,0,0,0,0|2,0,0]=4 10308 B14R0.68 CC(=O)NCCNCCCCCC(C)C 2230a_100011290863_100000189650 [0,2,0,0,0,0|2,0,0]=4 10309 B14R0.68 CC(=O)NCCOCCCCCC(C)C 34a_100000158858_100000210682 [0,2,0,0,0,0|2,0,0]=4 10310 B14R0.68 CC(=O)NCCOCCCCCC(C)C 7a_100011995859_100000189650 [0,2,0,0,0,0|2,0,0]=4 10311 B14R0.68 CC(=O)NCCSCCCCCC(C)C 62a_100000189650_100000210682 [0,2,0,0,0,0|2,0,0]=4 10312 B14R0.68 CC(=O)NCCSCCCCCC(C)C 62a_100000210682_100000189650 [0,2,0,0,0,0|2,0,0]=4 10313 B14R0.68 CC(=O)OCCCCCNCCC(C)O 2230a_200000755665_100009813381 [0,2,0,0,0,0|2,0,0]=4 10314 B14R0.68 CC(=O)OCCCCCOCCC(C)Br 34a_100009893172_100000033007 [0,2,0,0,0,0|2,0,0]=4 10315 B14R0.68 CC(=O)OCCCCCOCCC(C)C 34a_100000210254_100000033007 [0,2,0,0,0,0|2,0,0]=4 10316 B14R0.68 CC(=O)OCCCCCOCCC(C)C 7a_100000210254_100000033007 [0,2,0,0,0,0|2,0,0]=4 10317 B14R0.68 CC(=O)OCCCCCOCC[C@@H](C)N 34a_100000706166_100000033007 [0,2,0,0,0,0|2,0,0]=4 10318 B14R0.68 CC(=O)OCCCCCSCCC(C)C 62a_100000033007_100000210312 [0,2,0,0,0,0|2,0,0]=4 10319 B14R0.68 CC(=O)OCCCCCSCCC(C)C 62a_100000210312_100000033007 [0,2,0,0,0,0|2,0,0]=4 10320 B14R0.68 CC(=O)OCCCCCSCCC(C)O 62a_100000033007_100012276601 [0,2,0,0,0,0|2,0,0]=4 10321 B14R0.68 CC(=O)OCCCCCSCCC(C)O 62a_100012276601_100000033007 [0,2,0,0,0,0|2,0,0]=4 10322 B14R0.68 CC(=O)OCCCCNCCCC(C)C 34a_200000737386_100000033659 [0,2,0,0,0,0|2,0,0]=4 10323 B14R0.68 CC(=O)OCCCCOCCCC(C)C 34a_100000073216_100011214892 [0,2,0,0,0,0|2,0,0]=4 10324 B14R0.68 CC(=O)OCCCCOCCCC(C)C 34a_100000210774_100000033659 [0,2,0,0,0,0|2,0,0]=4 10325 B14R0.68 CC(=O)OCCCCOCCCC(C)C 7a_100000073216_100011214892 [0,2,0,0,0,0|2,0,0]=4 10326 B14R0.68 CC(=O)OCCCCOCCCC(C)C 7a_100000210774_100000033659 [0,2,0,0,0,0|2,0,0]=4 10327 B14R0.68 CC(=O)OCCCCOCCCC(C)O 34a_100000073216_200000718107 [0,2,0,0,0,0|2,0,0]=4 10328 B14R0.68 CC(=O)OCCCCOCCCC(C)O 7a_100000073216_200000718107 [0,2,0,0,0,0|2,0,0]=4 10329 B14R0.68 CC(=O)OCCCCSCCCC(C)C 62a_100000033659_100011214892 [0,2,0,0,0,0|2,0,0]=4 10330 B14R0.68 CC(=O)OCCCCSCCCC(C)C 62a_100011214892_100000033659 [0,2,0,0,0,0|2,0,0]=4 10331 B14R0.68 CC(=O)OCCCCSCCCC(C)O 62a_100000033659_200000718107 [0,2,0,0,0,0|2,0,0]=4 10332 B14R0.68 CC(=O)OCCCCSCCCC(C)O 62a_200000718107_100000033659 [0,2,0,0,0,0|2,0,0]=4 10333 B14R0.68 CC(=O)OCCCOCCCCC(C)C 34a_100011214890_100000042594 [0,2,0,0,0,0|2,0,0]=4 10334 B14R0.68 CC(=O)OCCCOCCCCC(C)C 7a_100011214890_100000042594 [0,2,0,0,0,0|2,0,0]=4 10335 B14R0.68 CC(=O)OCCCSCCCCC(C)C 62a_100000042594_100011216152 [0,2,0,0,0,0|2,0,0]=4 10336 B14R0.68 CC(=O)OCCCSCCCCC(C)C 62a_100011216152_100000042594 [0,2,0,0,0,0|2,0,0]=4 10337 B14R0.68 CC(=O)OCCNCCCCCC(C)C 34a_100011290863_100009814007 [0,2,0,0,0,0|2,0,0]=4 10338 B14R0.68 CC(=O)OCCOCCCCCC(C)C 34a_100011995859_100009814007 [0,2,0,0,0,0|2,0,0]=4 10339 B14R0.68 CC(=O)OCCOCCCCCC(C)C 7a_100011995859_100009814007 [0,2,0,0,0,0|2,0,0]=4 10340 B14R0.68 CC(=O)OCCSCCCCCC(C)C 62a_100000210682_100009814007 [0,2,0,0,0,0|2,0,0]=4 10341 B14R0.68 CC(=O)OCCSCCCCCC(C)C 62a_100009814007_100000210682 [0,2,0,0,0,0|2,0,0]=4 10342 B14R0.68 CC(=O)OCNCCCCCCC(C)C 34a_100000211014_100009813279 [0,2,0,0,0,0|2,0,0]=4 10343 B14R0.68 CC(=O)SCCCCCCNCC(C)C 270004a_100000704104_100000210432 [0,2,0,0,0,0|2,0,0]=4 10344 B14R0.68 CC(=O)SCCCCNCCCC(C)C 2230a_200000737386_200010402107 [0,2,0,0,0,0|2,0,0]=4 10345 B14R0.68 CC(=O)SCCCCNCCCC(C)C 34a_200000737386_200010402107 [0,2,0,0,0,0|2,0,0]=4 10346 B14R0.68 CC(=O)SCCCCOCCCC(C)C 34a_100000210774_200010402107 [0,2,0,0,0,0|2,0,0]=4 10347 B14R0.68 CC(=O)SCCCCOCCCC(C)C 7a_100000210774_200010402107 [0,2,0,0,0,0|2,0,0]=4 10348 B14R0.68 CC(=O)SCCCCSCCCC(C)C 62a_100011214892_200010402107 [0,2,0,0,0,0|2,0,0]=4 10349 B14R0.68 CC(=O)SCCCCSCCCC(C)C 62a_200010402107_100011214892 [0,2,0,0,0,0|2,0,0]=4 10350 B14R0.68 CC(=O)SCCCCSCCCC(C)O 62a_200000718107_200010402107 [0,2,0,0,0,0|2,0,0]=4 10351 B14R0.68 CC(=O)SCCCCSCCCC(C)O 62a_200010402107_200000718107 [0,2,0,0,0,0|2,0,0]=4 10352 B14R0.68 CC(=O)SCCCOCCCCC(C)C 34a_100011214890_100000038929 [0,2,0,0,0,0|2,0,0]=4 10353 B14R0.68 CC(=O)SCCCOCCCCC(C)C 7a_100011214890_100000038929 [0,2,0,0,0,0|2,0,0]=4 10354 B14R0.68 CC(=O)SCCCSCCCCC(C)C 62a_100000038929_100011216152 [0,2,0,0,0,0|2,0,0]=4 10355 B14R0.68 CC(=O)SCCCSCCCCC(C)C 62a_100011216152_100000038929 [0,2,0,0,0,0|2,0,0]=4 10356 B14R0.68 CC(Br)CCOCCCCCCB(O)O 34a_100009893172_100009817187 [0,2,0,0,0,0|1,0,1]=4 10357 B14R0.68 CC(C)CCCCCCCOCC(=O)N 34a_200000210741_100000187820 [0,2,0,0,0,0|1,0,0]=3 10358 B14R0.68 CC(C)CCCCCCCOCC(=O)N 7a_200000210741_100000187820 [0,2,0,0,0,0|1,0,0]=3 10359 B14R0.68 CC(C)CCCCCCCOCC(=O)[O-] 34a_200000210741_100020667443 [0,2,0,0,0,0|0,0,1]=3 10360 B14R0.68 CC(C)CCCCCCCOCC(C)O 34a_200000210741_100011218427 [0,2,0,0,0,0|1,0,1]=4 10361 B14R0.68 CC(C)CCCCCCCOCC(C)O 7a_200000210741_100011218427 [0,2,0,0,0,0|1,0,1]=4 10362 B14R0.68 CC(C)CCCCCCCOC[C@@H](C)O 34a_200000210741_100009817552 [0,2,0,0,0,0|1,0,1]=4 10363 B14R0.68 CC(C)CCCCCCCOC[C@@H](C)O 7a_200000210741_100009817552 [0,2,0,0,0,0|1,0,1]=4 10364 B14R0.68 CC(C)CCCCCCCOC[N+](=O)[O-] 34a_200000210741_100000761209 [0,2,0,0,0,0|1,0,1]=4 10365 B14R0.68 CC(C)CCCCCCNCCC(=O)N 2230a_100000211014_100000744528 [0,2,0,0,0,0|1,0,0]=3 10366 B14R0.68 CC(C)CCCCCCNCCC(=O)N 34a_100000211014_100000731001 [0,2,0,0,0,0|1,0,0]=3 10367 B14R0.68 CC(C)CCCCCCNCCC(C)O 2230a_100000211014_100012276601 [0,2,0,0,0,0|1,0,1]=4 10368 B14R0.68 CC(C)CCCCCCNCCC(C)O 34a_100000211014_100012276601 [0,2,0,0,0,0|1,0,1]=4 10369 B14R0.68 CC(C)CCCCCNCCCC(=O)N 34a_100000739312_100000210682 [0,2,0,0,0,0|1,0,0]=3 10370 B14R0.68 CC(C)CCCCCNCCCC(=O)N 34a_100011290863_100102525003 [0,2,0,0,0,0|1,0,0]=3 10371 B14R0.68 CC(C)CCCCCNCCCC(C)O 2230a_100011290863_200000718107 [0,2,0,0,0,0|1,0,1]=4 10372 B14R0.68 CC(C)CCCCCNCCCC(C)O 34a_100011290863_200000718107 [0,2,0,0,0,0|1,0,1]=4 10373 B14R0.68 CC(C)CCCCCNCCCS(=O)C 2230a_200000753449_100000210682 [0,2,0,0,0,0|2,0,0]=4 10374 B14R0.68 CC(C)CCCCCNCCNC(=O)N 2230a_100011290863_200000034859 [0,2,0,0,0,0|2,0,0]=4 10375 B14R0.68 CC(C)CCCCCNCCNC(=O)N 34a_100020590234_100000210682 [0,2,0,0,0,0|2,0,0]=4 10376 B14R0.68 CC(C)CCCCCNCCOC(=O)N 34a_100011290863_200011214921 [0,2,0,0,0,0|2,0,0]=4 10377 B14R0.68 CC(C)CCCCCOCCCC(=O)N 34a_100011995859_100102525003 [0,2,0,0,0,0|1,0,0]=3 10378 B14R0.68 CC(C)CCCCCOCCCC(=O)N 7a_100011995859_100102525003 [0,2,0,0,0,0|1,0,0]=3 10379 B14R0.68 CC(C)CCCCCOCCCC(C)O 34a_100011995859_200000718107 [0,2,0,0,0,0|1,0,1]=4 10380 B14R0.68 CC(C)CCCCCOCCCC(C)O 7a_100011995859_200000718107 [0,2,0,0,0,0|1,0,1]=4 10381 B14R0.68 CC(C)CCCCCOCCC[N+](=O)[O-] 34a_200000037920_100000210682 [0,2,0,0,0,0|1,0,1]=4 10382 B14R0.68 CC(C)CCCCCOCCNC(=O)N 34a_100000181757_100000210682 [0,2,0,0,0,0|2,0,0]=4 10383 B14R0.68 CC(C)CCCCCOCCNC(=O)N 7a_100011995859_200000034859 [0,2,0,0,0,0|2,0,0]=4 10384 B14R0.68 CC(C)CCCCCOCCOC(=O)N 34a_100011995859_200011214921 [0,2,0,0,0,0|2,0,0]=4 10385 B14R0.68 CC(C)CCCCCOCCOC(=O)N 7a_100000766696_100000210682 [0,2,0,0,0,0|2,0,0]=4 10386 B14R0.68 CC(C)CCCCCOCCOC(=O)N 7a_100011995859_200011214921 [0,2,0,0,0,0|2,0,0]=4 10387 B14R0.68 CC(C)CCCCCSCCCC(=O)N 62a_100000210682_100102525003 [0,2,0,0,0,0|1,0,0]=3 10388 B14R0.68 CC(C)CCCCCSCCCC(=O)N 62a_100102525003_100000210682 [0,2,0,0,0,0|1,0,0]=3 10389 B14R0.68 CC(C)CCCCCSCCCC(C)O 62a_100000210682_200000718107 [0,2,0,0,0,0|1,0,1]=4 10390 B14R0.68 CC(C)CCCCCSCCCC(C)O 62a_200000718107_100000210682 [0,2,0,0,0,0|1,0,1]=4 10391 B14R0.68 CC(C)CCCCCSCCNC(=O)N 62a_100000210682_200000034859 [0,2,0,0,0,0|2,0,0]=4 10392 B14R0.68 CC(C)CCCCCSCCNC(=O)N 62a_200000034859_100000210682 [0,2,0,0,0,0|2,0,0]=4 10393 B14R0.68 CC(C)CCCCCSCCOC(=O)N 62a_100000210682_200011214921 [0,2,0,0,0,0|2,0,0]=4 10394 B14R0.68 CC(C)CCCCCSCCOC(=O)N 62a_200011214921_100000210682 [0,2,0,0,0,0|2,0,0]=4 10395 B14R0.68 CC(C)CCCCNCCCCC(=O)N 34a_100000696515_100011216152 [0,2,0,0,0,0|1,0,0]=3 10396 B14R0.68 CC(C)CCCCNCCOCC(=O)O 269956a_100000700818_100011216152 [0,2,0,0,0,0|1,0,0]=3 10397 B14R0.68 CC(C)CCCCOCCCCB(O)O 34a_100011214890_200009817182 [0,2,0,0,0,0|1,0,1]=4 10398 B14R0.68 CC(C)CCCCOCCCCB(O)O 7a_100011214890_200009817182 [0,2,0,0,0,0|1,0,1]=4 10399 B14R0.68 CC(C)CCCCOCCCCC(=O)N 34a_100012022536_100011216152 [0,2,0,0,0,0|1,0,0]=3 10400 B14R0.68 CC(C)CCCCOCCCCC(=O)N 7a_100012022536_100011216152 [0,2,0,0,0,0|1,0,0]=3 10401 B14R0.68 CC(C)CCCCOCCCC[N+](=O)[O-] 34a_200015379883_100011216152 [0,2,0,0,0,0|1,0,1]=4 10402 B14R0.68 CC(C)CCCCOCCCC[N+](=O)[O-] 7a_200015379883_100011216152 [0,2,0,0,0,0|1,0,1]=4 10403 B14R0.68 CC(C)CCCCOCCOCC(=O)N 34a_100011214890_100000076697 [0,2,0,0,0,0|2,0,0]=4 10404 B14R0.68 CC(C)CCCCOCCOCC(=O)N 7a_100011214890_100000076697 [0,2,0,0,0,0|2,0,0]=4 10405 B14R0.68 CC(C)CCCCSCCCCB(O)O 62a_100011216152_200009817182 [0,2,0,0,0,0|1,0,1]=4 10406 B14R0.68 CC(C)CCCCSCCCCB(O)O 62a_200009817182_100011216152 [0,2,0,0,0,0|1,0,1]=4 10407 B14R0.68 CC(C)CCCCSCCOCC(=O)N 62a_100000076697_100011216152 [0,2,0,0,0,0|2,0,0]=4 10408 B14R0.68 CC(C)CCCCSCCOCC(=O)N 62a_100011216152_100000076697 [0,2,0,0,0,0|2,0,0]=4 10409 B14R0.68 CC(C)CCCNCCCCCB(O)O 2230a_200000737386_200009817188 [0,2,0,0,0,0|1,0,1]=4 10410 B14R0.68 CC(C)CCCNCCCCCB(O)O 34a_200000737386_200009817188 [0,2,0,0,0,0|1,0,1]=4 10411 B14R0.68 CC(C)CCCNCCCCCC(=O)N 2230a_200000737386_100009817443 [0,2,0,0,0,0|1,0,0]=3 10412 B14R0.68 CC(C)CCCNCCCCCC(=O)N 34a_200000737386_100009817443 [0,2,0,0,0,0|1,0,0]=3 10413 B14R0.68 CC(C)CCCOCCCCCB(O)O 34a_100000210774_200009817188 [0,2,0,0,0,0|1,0,1]=4 10414 B14R0.68 CC(C)CCCOCCCCCB(O)O 7a_100000210774_200009817188 [0,2,0,0,0,0|1,0,1]=4 10415 B14R0.68 CC(C)CCCOCCCCCC(=O)N 34a_100000123541_100011214892 [0,2,0,0,0,0|1,0,0]=3 10416 B14R0.68 CC(C)CCCOCCCCCC(=O)N 34a_100000210774_100009817443 [0,2,0,0,0,0|1,0,0]=3 10417 B14R0.68 CC(C)CCCOCCCCCC(=O)N 7a_100000123541_100011214892 [0,2,0,0,0,0|1,0,0]=3 10418 B14R0.68 CC(C)CCCOCCCCCC(=O)N 7a_100000210774_100009817443 [0,2,0,0,0,0|1,0,0]=3 10419 B14R0.68 CC(C)CCCOCCCCCC(=O)[O-] 7a_100102619762_100011214892 [0,2,0,0,0,0|0,0,1]=3 10420 B14R0.68 CC(C)CCCSCCCCCB(O)O 62a_100011214892_200009817188 [0,2,0,0,0,0|1,0,1]=4 10421 B14R0.68 CC(C)CCCSCCCCCB(O)O 62a_200009817188_100011214892 [0,2,0,0,0,0|1,0,1]=4 10422 B14R0.68 CC(C)CCCSCCCCCC(=O)N 62a_100009817443_100011214892 [0,2,0,0,0,0|1,0,0]=3 10423 B14R0.68 CC(C)CCCSCCCCCC(=O)N 62a_100011214892_100009817443 [0,2,0,0,0,0|1,0,0]=3 10424 B14R0.68 CC(C)CCOCCCCCCB(O)O 34a_100000210254_100009817187 [0,2,0,0,0,0|1,0,1]=4 10425 B14R0.68 CC(C)CCOCCCCCCB(O)O 7a_100000210254_100009817187 [0,2,0,0,0,0|1,0,1]=4 10426 B14R0.68 CC(C)CCSCCCCCCB(O)O 62a_100000210312_100009817187 [0,2,0,0,0,0|1,0,1]=4 10427 B14R0.68 CC(C)CCSCCCCCCB(O)O 62a_100009817187_100000210312 [0,2,0,0,0,0|1,0,1]=4 10428 B14R0.68 CC(C)CNCCOCCOCC(=O)O 269956a_100009854275_100000210760 [0,2,0,0,0,0|2,0,0]=4 10429 B14R0.68 CC(C)COCCCNCCCC(=O)N 34a_100000205972_100102525003 [0,2,0,0,0,0|2,0,0]=4 10430 B14R0.68 CC(C)NCCCCCOCCC(=O)N 34a_100011629493_100000731001 [0,2,0,0,0,0|2,0,0]=4 10431 B14R0.68 CC(C)NCCCCOCCCC(=O)N 34a_100011521146_100102525003 [0,2,0,0,0,0|2,0,0]=4 10432 B14R0.68 CC(C)NCCOCCCCCC(=O)N 34a_100000224655_100009817443 [0,2,0,0,0,0|2,0,0]=4 10433 B14R0.68 CC(C)OCCNCCCCCC(=O)N 2230a_100000701111_100009817443 [0,2,0,0,0,0|2,0,0]=4 10434 B14R0.68 CC(C)OCCNCCCCCC(=O)N 34a_100000701111_100009817443 [0,2,0,0,0,0|2,0,0]=4 10435 B14R0.68 CC(C)OCCOCCCCCC(=O)N 34a_100000123541_100000211751 [0,2,0,0,0,0|2,0,0]=4 10436 B14R0.68 CC(C)OCCOCCCCCC(=O)N 34a_100000211219_100009817443 [0,2,0,0,0,0|2,0,0]=4 10437 B14R0.68 CC(C)OCCOCCCCCC(=O)N 7a_100000123541_100000211751 [0,2,0,0,0,0|2,0,0]=4 10438 B14R0.68 CC(C)OCCOCCCCCC(=O)N 7a_100000211219_100009817443 [0,2,0,0,0,0|2,0,0]=4 10439 B14R0.68 CC(C)OCCOCCCCCC(=O)[O-] 7a_100102619762_100000211751 [0,2,0,0,0,0|1,0,1]=4 10440 B14R0.68 CC(C)OCCSCCCCCC(=O)N 62a_100000211751_100009817443 [0,2,0,0,0,0|2,0,0]=4 10441 B14R0.68 CC(C)OCCSCCCCCC(=O)N 62a_100009817443_100000211751 [0,2,0,0,0,0|2,0,0]=4 10442 B14R0.68 CC(C)SCCNCCCCCC(=O)N 2230a_100000731138_100009817443 [0,2,0,0,0,0|2,0,0]=4 10443 B14R0.68 CC(C)SCCNCCCCCC(=O)N 34a_100000731138_100009817443 [0,2,0,0,0,0|2,0,0]=4 10444 B14R0.68 CC(C)SCCOCCCCCC(=O)N 34a_100000123541_100000730970 [0,2,0,0,0,0|2,0,0]=4 10445 B14R0.68 CC(C)SCCOCCCCCC(=O)N 34a_200011212901_100009817443 [0,2,0,0,0,0|2,0,0]=4 10446 B14R0.68 CC(C)SCCOCCCCCC(=O)N 7a_100000123541_100000730970 [0,2,0,0,0,0|2,0,0]=4 10447 B14R0.68 CC(C)SCCOCCCCCC(=O)N 7a_200011212901_100009817443 [0,2,0,0,0,0|2,0,0]=4 10448 B14R0.68 CC(C)SCCOCCCCCC(=O)[O-] 7a_100102619762_100000730970 [0,2,0,0,0,0|1,0,1]=4 10449 B14R0.68 CC(C)SCCSCCCCCC(=O)N 62a_100000730970_100009817443 [0,2,0,0,0,0|2,0,0]=4 10450 B14R0.68 CC(C)SCCSCCCCCC(=O)N 62a_100009817443_100000730970 [0,2,0,0,0,0|2,0,0]=4 10451 B14R0.68 CC(O)CCCOCCCCCC(=O)N 34a_100000123541_200000718107 [0,2,0,0,0,0|1,0,0]=3 10452 B14R0.68 CC(O)CCCOCCCCCC(=O)N 7a_100000123541_200000718107 [0,2,0,0,0,0|1,0,0]=3 10453 B14R0.68 CC(O)CCCOCCCCCC(=O)[O-] 7a_100102619762_200000718107 [0,2,0,0,0,0|0,0,1]=3 10454 B14R0.68 CC(O)CCCSCCCCCB(O)O 62a_200000718107_200009817188 [0,2,0,0,0,0|1,0,1]=4 10455 B14R0.68 CC(O)CCCSCCCCCB(O)O 62a_200009817188_200000718107 [0,2,0,0,0,0|1,0,1]=4 10456 B14R0.68 CC(O)CCCSCCCCCC(=O)N 62a_100009817443_200000718107 [0,2,0,0,0,0|1,0,0]=3 10457 B14R0.68 CC(O)CCCSCCCCCC(=O)N 62a_200000718107_100009817443 [0,2,0,0,0,0|1,0,0]=3 10458 B14R0.68 CC(O)CCNCCCCCCB(O)O 2230a_200000755665_100009817187 [0,2,0,0,0,0|1,0,1]=4 10459 B14R0.68 CC(O)CCSCCCCCCB(O)O 62a_100009817187_100012276601 [0,2,0,0,0,0|1,0,1]=4 10460 B14R0.68 CC(O)CCSCCCCCCB(O)O 62a_100012276601_100009817187 [0,2,0,0,0,0|1,0,1]=4 10461 B14R0.68 CC(O)CNCCOCCOCC(=O)O 269956a_100009854275_100011218427 [0,2,0,0,0,0|2,0,0]=4 10462 B14R0.68 CN(C)CCCCNCCOCC(=O)O 269956a_100000700818_100000690147 [0,2,0,0,0,0|2,0,0]=4 10463 B14R0.68 CN(C)CCCOCCCCCC(=O)N 7a_100000123541_100000757444 [0,2,0,0,0,0|2,0,0]=4 10464 B14R0.68 CN(C)CCCOCCCCCC(=O)[O-] 7a_100102619762_100000757444 [0,2,0,0,0,0|1,0,1]=4 10465 B14R0.68 CN(C)CCCSCCCCCC(=O)N 62a_100009817443_100000757444 [0,2,0,0,0,0|2,0,0]=4 10466 B14R0.68 CS(=O)CCCNCCCCCC(=O)N 2230a_200000753449_100009817443 [0,2,0,0,0,0|2,0,0]=4 10467 B14R0.68 C[C@@H](N)CCOCCCCCCB(O)O 34a_100000706166_100009817187 [0,2,0,0,0,0|1,0,1]=4 10468 B14R0.68 C[C@@H](O)CNCCOCCOCC(=O)O 269956a_100009854275_100009817552 [0,2,0,0,0,0|2,0,0]=4 10469 B14R0.88 CCCCCCCCCCNS(=O)(=O)C 40a_100000684558_100000738038 [0,2,0,0,0,0|1,0,1]=4 10470 B14R0.88 CCCCCCCCCNCC(C)(C)O 2230a_100000751335_100011214924 [0,2,0,0,0,0|1,0,1]=4 10471 B14R0.88 CCCCCCCCCNCC(C)(C)O 34a_100000212291_100000764493 [0,2,0,0,0,0|1,0,1]=4 10472 B14R0.88 CCCCCCCCCNCS(=O)(=O)[O-] 34a_100000212291_100009817235 [0,2,0,0,0,0|1,0,1]=4 10473 B14R0.88 CCCCCCCCCOCC(C)(C)O 34a_100000210712_100000764493 [0,2,0,0,0,0|1,0,1]=4 10474 B14R0.88 CCCCCCCCCOCC(C)(C)O 7a_100000210712_100000764493 [0,2,0,0,0,0|1,0,1]=4 10475 B14R0.88 CCCCCCCCCOCS(=O)(=O)[O-] 34a_100000210712_100009817235 [0,2,0,0,0,0|1,0,1]=4 10476 B14R0.88 CCCCCCCCCSCC(C)(C)O 62a_100000764493_100000210670 [0,2,0,0,0,0|1,0,1]=4 10477 B14R0.88 CCCCCCCCCSCS(=O)(=O)N 62a_100000741382_100000210670 [0,2,0,0,0,0|1,0,1]=4 10478 B14R0.88 CCCCCCCCCSCS(=O)(=O)[O-] 62a_100009817235_100000210670 [0,2,0,0,0,0|1,0,1]=4 10479 B14R0.88 CCCCCCCCNCCC(C)(C)O 2230a_100000229939_100000702414 [0,2,0,0,0,0|1,0,1]=4 10480 B14R0.88 CCCCCCCCNCCC(C)(C)O 34a_100000229939_100000702414 [0,2,0,0,0,0|1,0,1]=4 10481 B14R0.88 CCCCCCCCNCCS(=O)(=O)C 2230a_100000229939_100000731031 [0,2,0,0,0,0|1,0,1]=4 10482 B14R0.88 CCCCCCCCNCCS(=O)(=O)C 2230a_100000740961_100000210759 [0,2,0,0,0,0|1,0,1]=4 10483 B14R0.88 CCCCCCCCNCCS(=O)(=O)C 34a_100000229939_100000731031 [0,2,0,0,0,0|1,0,1]=4 10484 B14R0.88 CCCCCCCCNCCS(=O)(=O)C 34a_100000740961_100000210759 [0,2,0,0,0,0|1,0,1]=4 10485 B14R0.88 CCCCCCCCNCCS(=O)(=O)N 2230a_100000738205_100000210759 [0,2,0,0,0,0|1,0,1]=4 10486 B14R0.88 CCCCCCCCNCCS(=O)(=O)N 34a_100000738205_100000210759 [0,2,0,0,0,0|1,0,1]=4 10487 B14R0.88 CCCCCCCCNCCS(=O)(=O)[O-] 2230a_100000229939_100000737633 [0,2,0,0,0,0|1,0,1]=4 10488 B14R0.88 CCCCCCCCNCCS(=O)(=O)[O-] 34a_100000229939_100000762736 [0,2,0,0,0,0|1,0,1]=4 10489 B14R0.88 CCCCCCCCOCCC(C)(C)O 34a_100000210232_100000702414 [0,2,0,0,0,0|1,0,1]=4 10490 B14R0.88 CCCCCCCCOCCC(C)(C)O 7a_100000210232_100000702414 [0,2,0,0,0,0|1,0,1]=4 10491 B14R0.88 CCCCCCCCOCCS(=O)(=O)C 34a_100000210232_100000731031 [0,2,0,0,0,0|1,0,1]=4 10492 B14R0.88 CCCCCCCCOCCS(=O)(=O)C 34a_100000211924_100000210759 [0,2,0,0,0,0|1,0,1]=4 10493 B14R0.88 CCCCCCCCOCCS(=O)(=O)C 7a_100000210232_100000230027 [0,2,0,0,0,0|1,0,1]=4 10494 B14R0.88 CCCCCCCCOCCS(=O)(=O)C 7a_100000211924_100000210759 [0,2,0,0,0,0|1,0,1]=4 10495 B14R0.88 CCCCCCCCOCCS(=O)(=O)N 34a_100012334274_100000210759 [0,2,0,0,0,0|1,0,1]=4 10496 B14R0.88 CCCCCCCCOCCS(=O)(=O)[O-] 34a_100000210232_100000762736 [0,2,0,0,0,0|1,0,1]=4 10497 B14R0.88 CCCCCCCCSCCC(C)(C)O 62a_100000210759_100000702414 [0,2,0,0,0,0|1,0,1]=4 10498 B14R0.88 CCCCCCCCSCCC(C)(C)O 62a_100000702414_100000210317 [0,2,0,0,0,0|1,0,1]=4 10499 B14R0.88 CCCCCCCCSCCS(=O)(=O)C 62a_100000210759_100000230027 [0,2,0,0,0,0|1,0,1]=4 10500 B14R0.88 CCCCCCCCSCCS(=O)(=O)C 62a_100000731031_100000210317 [0,2,0,0,0,0|1,0,1]=4 10501 B14R0.88 CCCCCCCCSCCS(=O)(=O)[O-] 62a_100000210759_100000762736 [0,2,0,0,0,0|1,0,1]=4 10502 B14R0.88 CCCCCCCCSCCS(=O)(=O)[O-] 62a_100000762736_100000210317 [0,2,0,0,0,0|1,0,1]=4 10503 B14R0.88 CCCCCCCNCCCC(C)(C)O 2230a_100000229938_100009888830 [0,2,0,0,0,0|1,0,1]=4 10504 B14R0.88 CCCCCCCNCCCS(=O)(=O)C 2230a_100000229938_100000754308 [0,2,0,0,0,0|1,0,1]=4 10505 B14R0.88 CCCCCCCNCCCS(=O)(=O)C 2230a_100000742409_100000210681 [0,2,0,0,0,0|1,0,1]=4 10506 B14R0.88 CCCCCCCNCCCS(=O)(=O)C 34a_100000742409_100000210614 [0,2,0,0,0,0|1,0,1]=4 10507 B14R0.88 CCCCCCCNCCCS(=O)(=O)N 2230a_100000229938_100000750626 [0,2,0,0,0,0|1,0,1]=4 10508 B14R0.88 CCCCCCCOCCCC(C)(C)O 34a_100000210272_100009888830 [0,2,0,0,0,0|1,0,1]=4 10509 B14R0.88 CCCCCCCOCCCC(C)(C)O 7a_100000210272_100009888830 [0,2,0,0,0,0|1,0,1]=4 10510 B14R0.88 CCCCCCCOCCCS(=O)(=O)C 34a_100000210272_100000754308 [0,2,0,0,0,0|1,0,1]=4 10511 B14R0.88 CCCCCCCOCCCS(=O)(=O)C 34a_100000689940_100000210614 [0,2,0,0,0,0|1,0,1]=4 10512 B14R0.88 CCCCCCCOCCCS(=O)(=O)C 7a_100000210272_100000754308 [0,2,0,0,0,0|1,0,1]=4 10513 B14R0.88 CCCCCCCOCCCS(=O)(=O)C 7a_100000689940_100000210614 [0,2,0,0,0,0|1,0,1]=4 10514 B14R0.88 CCCCCCCOCCCS(=O)(=O)N 34a_100000210272_100000750626 [0,2,0,0,0,0|1,0,1]=4 10515 B14R0.88 CCCCCCCOCCCS(=O)(=O)N 7a_100000210272_100000750626 [0,2,0,0,0,0|1,0,1]=4 10516 B14R0.88 CCCCCCCOCCCS(=O)(=O)[O-] 34a_100000210272_100009813499 [0,2,0,0,0,0|1,0,1]=4 10517 B14R0.88 CCCCCCCSCCCC(C)(C)O 62a_100000210614_100009888830 [0,2,0,0,0,0|1,0,1]=4 10518 B14R0.88 CCCCCCCSCCCC(C)(C)O 62a_100009888830_100000210316 [0,2,0,0,0,0|1,0,1]=4 10519 B14R0.88 CCCCCCCSCCCS(=O)(=O)C 62a_100000210614_100000754308 [0,2,0,0,0,0|1,0,1]=4 10520 B14R0.88 CCCCCCCSCCCS(=O)(=O)C 62a_100000754308_100000210316 [0,2,0,0,0,0|1,0,1]=4 10521 B14R0.88 CCCCCCCSCCCS(=O)(=O)N 62a_100000210614_100000750626 [0,2,0,0,0,0|1,0,1]=4 10522 B14R0.88 CCCCCCCSCCCS(=O)(=O)N 62a_100000750626_100000210316 [0,2,0,0,0,0|1,0,1]=4 10523 B14R0.88 CCCCCCCSCCCS(=O)(=O)[O-] 62a_100000210614_100009813499 [0,2,0,0,0,0|1,0,1]=4 10524 B14R0.88 CCCCCCCSCCCS(=O)(=O)[O-] 62a_100009813499_100000210316 [0,2,0,0,0,0|1,0,1]=4 10525 B14R0.88 CCCCCNCCCCCC(C)(C)O 2230a_100000209983_100010402123 [0,2,0,0,0,0|1,0,1]=4 10526 B14R0.88 CCCCCOCCCCCC(C)(C)O 34a_100000210253_100010402123 [0,2,0,0,0,0|1,0,1]=4 10527 B14R0.88 CCCCCOCCCCCC(C)(C)O 7a_100000210253_100010402123 [0,2,0,0,0,0|1,0,1]=4 10528 B14R0.88 CCCCCSCCCCCC(C)(C)O 62a_100000210326_100010402123 [0,2,0,0,0,0|1,0,1]=4 10529 B14R0.88 CCCCCSCCCCCC(C)(C)O 62a_100010402123_100000210326 [0,2,0,0,0,0|1,0,1]=4 10530 B14R0.153 C=C(C)COCCCCC(C)CCCC 34a_200011021034_100000748629 [0,2,0,0,0,0|2,0,0]=4 10531 B14R0.153 C=C(C)COCCCCC(C)CCCC 7a_200011021034_100000748629 [0,2,0,0,0,0|2,0,0]=4 10532 B14R0.153 C=C(F)COCCCCC(C)CCCC 34a_200011021034_100009893438 [0,2,0,0,0,0|2,0,0]=4 10533 B14R0.153 C=C(F)COCCCCC(C)CCCC 7a_200011021034_100000042424 [0,2,0,0,0,0|2,0,0]=4 10534 B14R0.153 CC(=O)CCCCNC[C@H](C)CCCO 34a_100160569302_100009817362 [0,2,0,0,0,0|2,0,0]=4 10535 B14R0.153 CC(CCCCl)OCCCCCC(=O)N 34a_200000718107_100009817443 [0,2,0,0,0,0|2,0,0]=4 10536 B14R0.153 CC(CCCCl)OCCCCCC(=O)N 7a_200000718107_100009817443 [0,2,0,0,0,0|2,0,0]=4 10537 B14R0.153 CCCCC(=O)CCCCCCB(O)O 1458a_100000210183_100009817187 [0,2,0,0,0,0|1,0,1]=4 10538 B14R0.153 CCCCC(=O)CCCCCNC(=O)C 1458a_100000183861_100000210211 [0,2,0,0,0,0|1,0,1]=4 10539 B14R0.153 CCCCC(=O)CCCCCOC(=O)C 1458a_100000210183_100000033007 [0,2,0,0,0,0|1,0,1]=4 10540 B14R0.153 CCCCC(C)CCCCOCC(=O)N 34a_200011021034_100000187820 [0,2,0,0,0,0|1,0,0]=3 10541 B14R0.153 CCCCC(C)CCCCOCC(=O)N 7a_200011021034_100000187820 [0,2,0,0,0,0|1,0,0]=3 10542 B14R0.153 CCCCC(C)CCCCOCC(=O)[O-] 34a_200011021034_100020667443 [0,2,0,0,0,0|0,0,1]=3 10543 B14R0.153 CCCCC(C)CCCCOCC(C)O 34a_200011021034_100011218427 [0,2,0,0,0,0|1,0,1]=4 10544 B14R0.153 CCCCC(C)CCCCOCC(C)O 7a_200011021034_100011218427 [0,2,0,0,0,0|1,0,1]=4 10545 B14R0.153 CCCCC(C)CCCCOC[C@@H](C)O 34a_200011021034_100009817552 [0,2,0,0,0,0|1,0,1]=4 10546 B14R0.153 CCCCC(C)CCCCOC[C@@H](C)O 7a_200011021034_100009817552 [0,2,0,0,0,0|1,0,1]=4 10547 B14R0.153 CCCCC(C)CCCCOC[N+](=O)[O-] 34a_200011021034_100000761209 [0,2,0,0,0,0|1,0,1]=4 10548 B14R0.153 CCCCC(C)COCCCCB(O)O 34a_100011995851_200009817182 [0,2,0,0,0,0|1,0,1]=4 10549 B14R0.153 CCCCC(C)COCCCCB(O)O 7a_100011995851_200009817182 [0,2,0,0,0,0|1,0,1]=4 10550 B14R0.153 CCCCC(C)COCCCCC(=O)C 34a_100011995851_100009817362 [0,2,0,0,0,0|1,0,0]=3 10551 B14R0.153 CCCCC(C)COCCCCC(=O)C 7a_100011995851_100000735457 [0,2,0,0,0,0|1,0,0]=3 10552 B14R0.153 CCCCC(C)COCCCOC(=O)C 34a_100011995851_100000042594 [0,2,0,0,0,0|2,0,0]=4 10553 B14R0.153 CCCCC(C)COCCCOC(=O)C 7a_100011995851_100000042594 [0,2,0,0,0,0|2,0,0]=4 10554 B14R0.153 CCCCC(C)COCCCSC(=O)C 34a_100011995851_100000038929 [0,2,0,0,0,0|2,0,0]=4 10555 B14R0.153 CCCCC(C)COCCCSC(=O)C 7a_100011995851_100000038929 [0,2,0,0,0,0|2,0,0]=4 10556 B14R0.153 CCCCC(C)COCCOCC(=O)N 34a_100011995851_100000076697 [0,2,0,0,0,0|2,0,0]=4 10557 B14R0.153 CCCCC(C)COCCOCC(=O)N 7a_100011995851_100000076697 [0,2,0,0,0,0|2,0,0]=4 10558 B14R0.153 CCCCC(C)NCCCCCB(O)O 2230a_100000126638_200009817188 [0,2,0,0,0,0|1,0,1]=4 10559 B14R0.153 CCCCC(C)NCCCCCC(=O)N 2230a_100000126638_100009817443 [0,2,0,0,0,0|1,0,0]=3 10560 B14R0.153 CCCCC(C)NCCCCNC(=O)C 2230a_200011368371_200011215066 [0,2,0,0,0,0|2,0,0]=4 10561 B14R0.153 CCCCC(C)NCCCCNC(=O)C 270004a_200011368371_100000210087 [0,2,0,0,0,0|2,0,0]=4 10562 B14R0.153 CCCCC(C)NCCCCNC(=O)C 34a_200011368371_200011215066 [0,2,0,0,0,0|2,0,0]=4 10563 B14R0.153 CCCCC(C)NCCCCSC(=O)C 2230a_100000126638_200010402107 [0,2,0,0,0,0|2,0,0]=4 10564 B14R0.153 CCCCC(C)OCCCCCB(O)O 34a_100000687866_200009817188 [0,2,0,0,0,0|1,0,1]=4 10565 B14R0.153 CCCCC(C)OCCCCCB(O)O 7a_100000687866_200009817188 [0,2,0,0,0,0|1,0,1]=4 10566 B14R0.153 CCCCC(C)OCCCCCC(=O)N 34a_100000123541_200011215066 [0,2,0,0,0,0|1,0,0]=3 10567 B14R0.153 CCCCC(C)OCCCCCC(=O)N 34a_100000687866_100009817443 [0,2,0,0,0,0|1,0,0]=3 10568 B14R0.153 CCCCC(C)OCCCCCC(=O)N 7a_100000123541_200011215066 [0,2,0,0,0,0|1,0,0]=3 10569 B14R0.153 CCCCC(C)OCCCCCC(=O)N 7a_100000687866_100009817443 [0,2,0,0,0,0|1,0,0]=3 10570 B14R0.153 CCCCC(C)OCCCCCC(=O)[O-] 7a_100102619762_200011215066 [0,2,0,0,0,0|0,0,1]=3 10571 B14R0.153 CCCCC(C)OCCCCOC(=O)C 34a_100000073216_200011215066 [0,2,0,0,0,0|2,0,0]=4 10572 B14R0.153 CCCCC(C)OCCCCOC(=O)C 34a_100000687866_100000033659 [0,2,0,0,0,0|2,0,0]=4 10573 B14R0.153 CCCCC(C)OCCCCOC(=O)C 7a_100000073216_200011215066 [0,2,0,0,0,0|2,0,0]=4 10574 B14R0.153 CCCCC(C)OCCCCOC(=O)C 7a_100000687866_100000033659 [0,2,0,0,0,0|2,0,0]=4 10575 B14R0.153 CCCCC(C)OCCCCSC(=O)C 34a_100000687866_200010402107 [0,2,0,0,0,0|2,0,0]=4 10576 B14R0.153 CCCCC(C)OCCCCSC(=O)C 7a_100000687866_200010402107 [0,2,0,0,0,0|2,0,0]=4 10577 B14R0.153 CCCCC(C)SCCCCCB(O)O 62a_200009817188_200011215066 [0,2,0,0,0,0|1,0,1]=4 10578 B14R0.153 CCCCC(C)SCCCCCB(O)O 62a_200011215066_200009817188 [0,2,0,0,0,0|1,0,1]=4 10579 B14R0.153 CCCCC(C)SCCCCCC(=O)N 62a_100009817443_200011215066 [0,2,0,0,0,0|1,0,0]=3 10580 B14R0.153 CCCCC(C)SCCCCCC(=O)N 62a_200011215066_100009817443 [0,2,0,0,0,0|1,0,0]=3 10581 B14R0.153 CCCCC(C)SCCCCOC(=O)C 62a_100000033659_200011215066 [0,2,0,0,0,0|2,0,0]=4 10582 B14R0.153 CCCCC(C)SCCCCOC(=O)C 62a_200011215066_100000033659 [0,2,0,0,0,0|2,0,0]=4 10583 B14R0.153 CCCCC(C)SCCCCSC(=O)C 62a_200010402107_200011215066 [0,2,0,0,0,0|2,0,0]=4 10584 B14R0.153 CCCCC(C)SCCCCSC(=O)C 62a_200011215066_200010402107 [0,2,0,0,0,0|2,0,0]=4 10585 B14R0.153 CCCCN(C)CCCCCCB(O)O 2230a_100000207549_100009817187 [0,2,0,0,0,0|1,0,1]=4 10586 B14R0.153 CCCCN(C)CCCCCCB(O)O 269982a_100000207549_100009817187 [0,2,0,0,0,0|1,0,1]=4 10587 B14R0.153 CCCCN(C)CCCCCOC(=O)C 2230a_100000207549_100009813381 [0,2,0,0,0,0|2,0,0]=4 10588 B14R0.153 CCCCN(C)CCCCCOC(=O)C 269982a_100000207549_100000033007 [0,2,0,0,0,0|2,0,0]=4 10589 B14R0.153 CCCC[C@H](N)COCCCCB(O)O 34a_100011934283_200009817182 [0,2,0,0,0,0|1,0,1]=4 10590 B14R0.153 CCCC[C@H](N)COCCCCC(=O)C 34a_100011934283_100009817362 [0,2,0,0,0,0|1,0,0]=3 10591 B14R0.153 CCCC[C@H](N)COCCCOC(=O)C 34a_100011934283_100000042594 [0,2,0,0,0,0|2,0,0]=4 10592 B14R0.153 CCCC[C@H](N)COCCCSC(=O)C 34a_100011934283_100000038929 [0,2,0,0,0,0|2,0,0]=4 10593 B14R0.153 CCCC[C@H](N)COCCOCC(=O)N 34a_100011934283_100000076697 [0,2,0,0,0,0|2,0,0]=4 10594 B14R0.153 CCCOC(C)CNCCCCC(=O)C 34a_100015185124_100009817362 [0,2,0,0,0,0|2,0,0]=4 10595 B14R0.153 CCOCC(C)OCCCCCC(=O)N 34a_100000718985_100009817443 [0,2,0,0,0,0|2,0,0]=4 10596 B14R0.153 CCOCC(C)OCCCCCC(=O)N 7a_100000718985_100009817443 [0,2,0,0,0,0|2,0,0]=4 10597 B14R0.153 CCOCC(O)CNCCCCC(=O)C 34a_102515437182_100009817362 [0,2,0,0,0,0|2,0,0]=4 10598 B14R0.153 CSCC[C@H](N)COCCCCC(=O)C 34a_100011827619_100009817362 [0,2,0,0,0,0|2,0,0]=4 10599 B14R0.231 CC(=O)CCCOC[C@@H](N)CCCCN 34a_100016993712_100000685027 [0,2,0,0,0,0|2,0,0]=4 10600 B14R0.231 CCCCCC(=O)CCCCCB(O)O 1458a_100000212188_200009817188 [0,2,0,0,0,0|1,0,1]=4 10601 B14R0.231 CCCCCC(=O)CCCCCC(=O)N 1458a_100000212188_100009817443 [0,2,0,0,0,0|1,0,0]=3 10602 B14R0.231 CCCCCC(=O)CCCCC[N+](=O)[O-] 1458a_100000043470_100000210326 [0,2,0,0,0,0|1,0,1]=4 10603 B14R0.231 CCCCCC(=O)CCCCOC(=O)C 1458a_100000212188_100000033659 [0,2,0,0,0,0|1,0,1]=4 10604 B14R0.231 CCCCCC(=O)CCCCSC(=O)C 1458a_100000212188_200010402107 [0,2,0,0,0,0|1,0,1]=4 10605 B14R0.231 CCCCCC(=O)CNCCCC(=O)N 34a_100000739312_200012276598 [0,2,0,0,0,0|1,0,1]=4 10606 B14R0.231 CCCCCC(=O)COCCCC(=O)C 34a_100000759063_200012276598 [0,2,0,0,0,0|1,0,1]=4 10607 B14R0.231 CCCCCC(=O)COCCCC(=O)C 7a_100000759063_200012276598 [0,2,0,0,0,0|1,0,1]=4 10608 B14R0.231 CCCCCC(=O)CSCCCC(=O)C 62a_100011215641_200012276598 [0,2,0,0,0,0|1,0,1]=4 10609 B14R0.231 CCCCCC(=O)CSCCCC(=O)C 62a_200012276598_100011215641 [0,2,0,0,0,0|1,0,1]=4 10610 B14R0.231 CCCCCC(=O)CSCCCC(=O)N 62a_100102525003_200012276598 [0,2,0,0,0,0|1,0,1]=4 10611 B14R0.231 CCCCCC(=O)CSCCCC(=O)N 62a_200012276598_100102525003 [0,2,0,0,0,0|1,0,1]=4 10612 B14R0.231 CCCCCC(=O)NCCCCC(=O)N 11a_100000696515_100000212188 [0,2,0,0,0,0|1,0,1]=4 10613 B14R0.231 CCCCCC(=O)NCCCCC(=O)N 1626a_100000696515_100000212188 [0,2,0,0,0,0|1,0,1]=4 10614 B14R0.231 CCCCCC(=O)NCCCCC(=O)N 240690a_100000696515_100000212188 [0,2,0,0,0,0|1,0,1]=4 10615 B14R0.231 CCCCCC(=O)NCCCCC(=O)N 527a_100000696515_100000212188 [0,2,0,0,0,0|1,0,1]=4 10616 B14R0.231 CCCCCC(C)NCCCCB(O)O 2230a_100000211957_200009817182 [0,2,0,0,0,0|1,0,1]=4 10617 B14R0.231 CCCCCC(C)NCCCCC(=O)N 270004a_100000696515_100000211708 [0,2,0,0,0,0|1,0,0]=3 10618 B14R0.231 CCCCCC(C)NCCCCC(=O)N 34a_100000696515_200011218191 [0,2,0,0,0,0|1,0,0]=3 10619 B14R0.231 CCCCCC(C)NCCCNC(=O)C 270004a_100000736810_100000211708 [0,2,0,0,0,0|2,0,0]=4 10620 B14R0.231 CCCCCC(C)NCCCNC(=O)C 34a_100000736810_200011218191 [0,2,0,0,0,0|2,0,0]=4 10621 B14R0.231 CCCCCC(C)NCCCSC(=O)C 2230a_100000211957_100000038929 [0,2,0,0,0,0|2,0,0]=4 10622 B14R0.231 CCCCCC(C)NCCOCC(=O)N 2230a_100000211957_100000076697 [0,2,0,0,0,0|2,0,0]=4 10623 B14R0.231 CCCCCC(C)NCCOCC(=O)O 269956a_100000700818_200011218191 [0,2,0,0,0,0|1,0,0]=3 10624 B14R0.231 CCCCCC(C)OCCCCB(O)O 34a_100011215632_200009817182 [0,2,0,0,0,0|1,0,1]=4 10625 B14R0.231 CCCCCC(C)OCCCCB(O)O 7a_100011215632_200009817182 [0,2,0,0,0,0|1,0,1]=4 10626 B14R0.231 CCCCCC(C)OCCCCC(=O)C 34a_100011215632_100009817362 [0,2,0,0,0,0|1,0,0]=3 10627 B14R0.231 CCCCCC(C)OCCCCC(=O)C 7a_100011215632_100000735457 [0,2,0,0,0,0|1,0,0]=3 10628 B14R0.231 CCCCCC(C)OCCCCC(=O)N 34a_100012022536_200011218191 [0,2,0,0,0,0|1,0,0]=3 10629 B14R0.231 CCCCCC(C)OCCCCC(=O)N 7a_100012022536_200011218191 [0,2,0,0,0,0|1,0,0]=3 10630 B14R0.231 CCCCCC(C)OCCCC[N+](=O)[O-] 34a_200015379883_200011218191 [0,2,0,0,0,0|1,0,1]=4 10631 B14R0.231 CCCCCC(C)OCCCC[N+](=O)[O-] 7a_200015379883_200011218191 [0,2,0,0,0,0|1,0,1]=4 10632 B14R0.231 CCCCCC(C)OCCCNC(=O)C 34a_100000752032_200011218191 [0,2,0,0,0,0|2,0,0]=4 10633 B14R0.231 CCCCCC(C)OCCCOC(=O)C 34a_100011215632_100000042594 [0,2,0,0,0,0|2,0,0]=4 10634 B14R0.231 CCCCCC(C)OCCCOC(=O)C 7a_100011215632_100000042594 [0,2,0,0,0,0|2,0,0]=4 10635 B14R0.231 CCCCCC(C)OCCCSC(=O)C 34a_100011215632_100000038929 [0,2,0,0,0,0|2,0,0]=4 10636 B14R0.231 CCCCCC(C)OCCCSC(=O)C 7a_100011215632_100000038929 [0,2,0,0,0,0|2,0,0]=4 10637 B14R0.231 CCCCCC(C)OCCOCC(=O)N 34a_100011215632_100000076697 [0,2,0,0,0,0|2,0,0]=4 10638 B14R0.231 CCCCCC(C)OCCOCC(=O)N 7a_100011215632_100000076697 [0,2,0,0,0,0|2,0,0]=4 10639 B14R0.231 CCCCCC(C)SCCCCB(O)O 62a_200009817182_200011218191 [0,2,0,0,0,0|1,0,1]=4 10640 B14R0.231 CCCCCC(C)SCCCCB(O)O 62a_200011218191_200009817182 [0,2,0,0,0,0|1,0,1]=4 10641 B14R0.231 CCCCCC(C)SCCCCC(=O)C 62a_100000735457_200011218191 [0,2,0,0,0,0|1,0,0]=3 10642 B14R0.231 CCCCCC(C)SCCCCC(=O)C 62a_200011218191_100000735457 [0,2,0,0,0,0|1,0,0]=3 10643 B14R0.231 CCCCCC(C)SCCCOC(=O)C 62a_100000042594_200011218191 [0,2,0,0,0,0|2,0,0]=4 10644 B14R0.231 CCCCCC(C)SCCCOC(=O)C 62a_200011218191_100000042594 [0,2,0,0,0,0|2,0,0]=4 10645 B14R0.231 CCCCCC(C)SCCCSC(=O)C 62a_100000038929_200011218191 [0,2,0,0,0,0|2,0,0]=4 10646 B14R0.231 CCCCCC(C)SCCCSC(=O)C 62a_200011218191_100000038929 [0,2,0,0,0,0|2,0,0]=4 10647 B14R0.231 CCCCCC(C)SCCOCC(=O)N 62a_100000076697_200011218191 [0,2,0,0,0,0|2,0,0]=4 10648 B14R0.231 CCCCCC(C)SCCOCC(=O)N 62a_200011218191_100000076697 [0,2,0,0,0,0|2,0,0]=4 10649 B14R0.231 CCCCCN(C)CCCCCB(O)O 2230a_100000223495_200009817188 [0,2,0,0,0,0|1,0,1]=4 10650 B14R0.231 CCCCCN(C)CCCCCB(O)O 269982a_100000223495_200009817188 [0,2,0,0,0,0|1,0,1]=4 10651 B14R0.231 CCCCCN(C)CCCCCC(=O)N 2230a_100000223495_100009817443 [0,2,0,0,0,0|1,0,0]=3 10652 B14R0.231 CCCCCN(C)CCCCCC(=O)N 269982a_100000223495_100009817443 [0,2,0,0,0,0|1,0,0]=3 10653 B14R0.231 CCCCCN(C)CCCCOC(=O)C 269982a_100000223495_100000033659 [0,2,0,0,0,0|2,0,0]=4 10654 B14R0.231 CCCCCN(C)CCCCSC(=O)C 2230a_100000223495_200010402107 [0,2,0,0,0,0|2,0,0]=4 10655 B14R0.231 CCCCCN(C)CCCCSC(=O)C 269982a_100000223495_200010402107 [0,2,0,0,0,0|2,0,0]=4 10656 B14R0.231 CCCOCC(=O)CCCCCC(=O)N 1458a_100000745993_100009817443 [0,2,0,0,0,0|1,0,1]=4 10657 B14R0.231 CCCSCC(=O)CCCCCC(=O)N 1458a_100000217233_100009817443 [0,2,0,0,0,0|1,0,1]=4 10658 B14R0.231 CCCSCC(C)NCCCCC(=O)N 270004a_100000696515_100011343953 [0,2,0,0,0,0|2,0,0]=4 10659 B14R0.231 CCOCCC(=O)CCCCCC(=O)N 1458a_100000749530_100009817443 [0,2,0,0,0,0|1,0,1]=4 10660 B14R0.231 CCOCCC(C)NCCCCC(=O)N 270004a_100000696515_200011216536 [0,2,0,0,0,0|2,0,0]=4 10661 B14R0.231 CCSCCC(=O)CCCCCC(=O)N 1458a_100000230768_100009817443 [0,2,0,0,0,0|1,0,1]=4 10662 B14R0.231 CN(CCCCO)CCCCCC(=O)N 2230a_100000717598_100009817443 [0,2,0,0,0,0|2,0,0]=4 10663 B14R0.231 CN(CCCCO)CCCCCC(=O)N 269982a_100000717598_100009817443 [0,2,0,0,0,0|2,0,0]=4 10664 B14R0.231 COCCCC(=O)CCCCCC(=O)N 1458a_100000741012_100009817443 [0,2,0,0,0,0|1,0,1]=4 10665 B14R0.231 COCCCC(C)OCCCCC(=O)C 34a_200011539412_100009817362 [0,2,0,0,0,0|2,0,0]=4 10666 B14R0.231 COCCCC(C)OCCCCC(=O)C 7a_200011539412_100000735457 [0,2,0,0,0,0|2,0,0]=4 10667 B14R0.231 COCCCN(C)CCCCCC(=O)N 2230a_100000224831_100009817443 [0,2,0,0,0,0|2,0,0]=4 10668 B14R0.231 COCCCN(C)CCCCCC(=O)N 269982a_100000224831_100009817443 [0,2,0,0,0,0|2,0,0]=4 10669 B14R0.231 CSCCCC(=O)CCCCCC(=O)N 1458a_100000173376_100009817443 [0,2,0,0,0,0|1,0,1]=4 10670 B14R0.231 CSCCCC(C)NCCCCC(=O)N 270004a_100000696515_100011399439 [0,2,0,0,0,0|2,0,0]=4 10671 B14R0.231 NC(=O)CCCCCC(=O)CCCCO 1458a_100000695505_100009817443 [0,2,0,0,0,0|1,0,1]=4 10672 B14R0.231 NCCCC[C@H](N)COCCCC(=O)N 34a_100016993712_100102525003 [0,2,0,0,0,0|2,0,0]=4 10673 B14R0.305 C=C(C)CCOCCCCCC(=O)OC 34a_100000074720_100000730704 [0,2,0,0,0,0|1,0,1]=4 10674 B14R0.305 C=C(C)CCOCCCCCC(=O)OC 34a_100000764851_100009816466 [0,2,0,0,0,0|1,0,1]=4 10675 B14R0.305 C=C(C)CCOCCCCCC(=O)OC 7a_100000074720_100000730704 [0,2,0,0,0,0|1,0,1]=4 10676 B14R0.305 C=C(C)CCOCCCCCC(C)CC 7a_200000035636_100000730704 [0,2,0,0,0,0|2,0,0]=4 10677 B14R0.305 C=C(C)CCSCCCCCC(=O)OC 62a_100000730704_100009816466 [0,2,0,0,0,0|1,0,1]=4 10678 B14R0.305 C=C(C)CCSCCCCCC(=O)OC 62a_100009816466_100000730704 [0,2,0,0,0,0|1,0,1]=4 10679 B14R0.305 C=C(C)COCCCCCCC(=O)OC 34a_100000210245_100009815986 [0,2,0,0,0,0|1,0,1]=4 10680 B14R0.305 C=C(C)COCCCCCCC(=O)OC 34a_100009863599_100000748629 [0,2,0,0,0,0|1,0,1]=4 10681 B14R0.305 C=C(C)COCCCCCCC(=O)OC 7a_100009863599_100000748629 [0,2,0,0,0,0|1,0,1]=4 10682 B14R0.305 C=C(C)CSCCCCCCC(=O)OC 62a_100000748629_100009815986 [0,2,0,0,0,0|1,0,1]=4 10683 B14R0.305 C=C(C)CSCCCCCCC(=O)OC 62a_100009815986_100000211660 [0,2,0,0,0,0|1,0,1]=4 10684 B14R0.305 CC(=O)CCCCOCCC[C@@H](C)CN 34a_100160569302_100009817362 [0,2,0,0,0,0|2,0,0]=4 10685 B14R0.305 CC(C)CCCCCOCCC(=NO)N 34a_100000749954_100000210682 [0,2,0,0,0,0|2,0,0]=4 10686 B14R0.305 CC(C)CCCCOCCCC(=O)NN 34a_100000211488_100011216152 [0,2,0,0,0,0|2,0,0]=4 10687 B14R0.305 CC(CO)CCNCCCCCC(=O)N 2230a_106354213184_100009817443 [0,2,0,0,0,0|2,0,0]=4 10688 B14R0.305 CC(CO)CCNCCCCCC(=O)N 34a_106354213184_100009817443 [0,2,0,0,0,0|2,0,0]=4 10689 B14R0.305 CCC(C)CCCCCOCCC(=O)C 7a_200000035636_100000053229 [0,2,0,0,0,0|1,0,0]=3 10690 B14R0.305 CCC(C)CCCCCOCCC(=O)N 7a_200000035636_100000744528 [0,2,0,0,0,0|1,0,0]=3 10691 B14R0.305 CCC(C)CCCCCOCCC(C)O 7a_200000035636_100012276601 [0,2,0,0,0,0|1,0,1]=4 10692 B14R0.305 CCC(C)CCCOCCCCB(O)O 7a_100011216074_200009817182 [0,2,0,0,0,0|1,0,1]=4 10693 B14R0.305 CCC(C)CCCOCCCCC(=O)C 7a_100011216074_100000735457 [0,2,0,0,0,0|1,0,0]=3 10694 B14R0.305 CCC(C)CCCOCCCOC(=O)C 7a_100011216074_100000042594 [0,2,0,0,0,0|2,0,0]=4 10695 B14R0.305 CCC(C)CCCOCCCSC(=O)C 7a_100011216074_100000038929 [0,2,0,0,0,0|2,0,0]=4 10696 B14R0.305 CCC(C)CCCOCCOCC(=O)N 7a_100011216074_100000076697 [0,2,0,0,0,0|2,0,0]=4 10697 B14R0.305 CCC(C)CCNCCCCCB(O)O 2230a_100020591266_200009817188 [0,2,0,0,0,0|1,0,1]=4 10698 B14R0.305 CCC(C)CCNCCCCCC(=O)N 2230a_100020591266_100009817443 [0,2,0,0,0,0|1,0,0]=3 10699 B14R0.305 CCC(C)CCNCCCCSC(=O)C 2230a_100020591266_200010402107 [0,2,0,0,0,0|2,0,0]=4 10700 B14R0.305 CCC(C)CCOCCCCCB(O)O 7a_100011215188_200009817188 [0,2,0,0,0,0|1,0,1]=4 10701 B14R0.305 CCC(C)CCOCCCCCC(=O)N 7a_100011215188_100009817443 [0,2,0,0,0,0|1,0,0]=3 10702 B14R0.305 CCC(C)CCOCCCCOC(=O)C 7a_100011215188_100000033659 [0,2,0,0,0,0|2,0,0]=4 10703 B14R0.305 CCC(C)CCOCCCCSC(=O)C 7a_100011215188_200010402107 [0,2,0,0,0,0|2,0,0]=4 10704 B14R0.305 CCC(C)CNCCCCCCB(O)O 2230a_100020588543_100009817187 [0,2,0,0,0,0|1,0,1]=4 10705 B14R0.305 CCC(C)CNCCCCCNC(=O)C 2230a_200012022750_100000748023 [0,2,0,0,0,0|2,0,0]=4 10706 B14R0.305 CCC(C)CNCCCCCNC(=O)C 270004a_200012022750_100000243153 [0,2,0,0,0,0|2,0,0]=4 10707 B14R0.305 CCC(C)CNCCCCCNC(=O)C 34a_200012022750_100000748023 [0,2,0,0,0,0|2,0,0]=4 10708 B14R0.305 CCC(C)CNCCCCCOC(=O)C 2230a_100020588543_100009813381 [0,2,0,0,0,0|2,0,0]=4 10709 B14R0.305 CCC(C)CSCCCCCCB(O)O 62a_100000748023_100009817187 [0,2,0,0,0,0|1,0,1]=4 10710 B14R0.305 CCC(C)CSCCCCCCB(O)O 62a_100009817187_100000748023 [0,2,0,0,0,0|1,0,1]=4 10711 B14R0.305 CCC(C)CSCCCCCOC(=O)C 62a_100000033007_100000748023 [0,2,0,0,0,0|2,0,0]=4 10712 B14R0.305 CCC(C)CSCCCCCOC(=O)C 62a_100000748023_100000033007 [0,2,0,0,0,0|2,0,0]=4 10713 B14R0.305 CCC(C)NCCCCCCNC(=O)C 2230a_200011996284_100000758301 [0,2,0,0,0,0|2,0,0]=4 10714 B14R0.305 CCC(C)NCCCCCCNC(=O)C 34a_200011996284_100011215416 [0,2,0,0,0,0|2,0,0]=4 10715 B14R0.305 CCC(C)NCCOCCOCC(=O)O 269956a_100009854275_100000758301 [0,2,0,0,0,0|2,0,0]=4 10716 B14R0.305 CCC(O)CNCCCCCCB(O)O 2230a_100011218483_100009817187 [0,2,0,0,0,0|1,0,1]=4 10717 B14R0.305 CCC(O)CNCCCCCNC(=O)C 2230a_200012022750_100011218378 [0,2,0,0,0,0|2,0,0]=4 10718 B14R0.305 CCC(O)CNCCCCCNC(=O)C 34a_200012022750_100011218378 [0,2,0,0,0,0|2,0,0]=4 10719 B14R0.305 CCC(O)CNCCCCCOC(=O)C 2230a_100011218483_100009813381 [0,2,0,0,0,0|2,0,0]=4 10720 B14R0.305 CCC(O)CSCCCCCCB(O)O 62a_100009817187_100011218378 [0,2,0,0,0,0|1,0,1]=4 10721 B14R0.305 CCC(O)CSCCCCCCB(O)O 62a_100011218378_100009817187 [0,2,0,0,0,0|1,0,1]=4 10722 B14R0.305 CCC(O)CSCCCCCOC(=O)C 62a_100000033007_100011218378 [0,2,0,0,0,0|2,0,0]=4 10723 B14R0.305 CCC(O)CSCCCCCOC(=O)C 62a_100011218378_100000033007 [0,2,0,0,0,0|2,0,0]=4 10724 B14R0.305 CCN(C)CCCNCCOCC(=O)O 269956a_100000700818_100015186262 [0,2,0,0,0,0|2,0,0]=4 10725 B14R0.305 CCN(C)CCCOCCCCC(=O)N 7a_100012022536_100015186262 [0,2,0,0,0,0|2,0,0]=4 10726 B14R0.305 CCN(C)CCCSCCCCC(=O)C 62a_100000735457_100015186262 [0,2,0,0,0,0|2,0,0]=4 10727 B14R0.305 CC[C@H](C)CNCCCCCNC(=O)C 2230a_200012022750_100009816398 [0,2,0,0,0,0|2,0,0]=4 10728 B14R0.305 CC[C@H](C)CNCCCCCNC(=O)C 34a_200012022750_100009816398 [0,2,0,0,0,0|2,0,0]=4 10729 B14R0.305 CC[C@H](C)COCCCCCCB(O)O 7a_100009816381_100009817187 [0,2,0,0,0,0|1,0,1]=4 10730 B14R0.305 CC[C@H](C)COCCCCCOC(=O)C 7a_100009816381_100000033007 [0,2,0,0,0,0|2,0,0]=4 10731 B14R0.305 CC[C@H](C)CSCCCCCCB(O)O 62a_100009816398_100009817187 [0,2,0,0,0,0|1,0,1]=4 10732 B14R0.305 CC[C@H](C)CSCCCCCCB(O)O 62a_100009817187_100009816398 [0,2,0,0,0,0|1,0,1]=4 10733 B14R0.305 CC[C@H](C)CSCCCCCOC(=O)C 62a_100000033007_100009816398 [0,2,0,0,0,0|2,0,0]=4 10734 B14R0.305 CC[C@H](C)CSCCCCCOC(=O)C 62a_100009816398_100000033007 [0,2,0,0,0,0|2,0,0]=4 10735 B14R0.305 CNC(=O)CCCNCCCCC(C)C 2230a_100000740002_100011216152 [0,2,0,0,0,0|2,0,0]=4 10736 B14R0.305 CNC(=O)CCCNCCCCC(C)C 34a_100000740002_100011216152 [0,2,0,0,0,0|2,0,0]=4 10737 B14R0.305 CNC(=O)CCCOCCCCC(C)C 34a_100011214890_100000741757 [0,2,0,0,0,0|2,0,0]=4 10738 B14R0.305 CNC(=O)CCCOCCCCC(C)C 7a_100011214890_100000741757 [0,2,0,0,0,0|2,0,0]=4 10739 B14R0.305 CNC(=O)CCCSCCCCC(C)C 62a_100000741757_100011216152 [0,2,0,0,0,0|2,0,0]=4 10740 B14R0.305 CNC(=O)CCCSCCCCC(C)C 62a_100011216152_100000741757 [0,2,0,0,0,0|2,0,0]=4 10741 B14R0.305 CNC(=O)CCNCCCCCC(C)C 2230a_100000738227_100000210682 [0,2,0,0,0,0|2,0,0]=4 10742 B14R0.305 CNC(=O)CCNCCCCCC(C)C 2230a_100011290863_100000737683 [0,2,0,0,0,0|2,0,0]=4 10743 B14R0.305 CNC(=O)CCNCCCCCC(C)C 34a_100000738227_100000210682 [0,2,0,0,0,0|2,0,0]=4 10744 B14R0.305 CNC(=O)CCNCCCCCC(C)C 34a_100011290863_100012179268 [0,2,0,0,0,0|2,0,0]=4 10745 B14R0.305 CNC(=O)CCOCCCCCC(C)C 34a_100000754576_100000210682 [0,2,0,0,0,0|2,0,0]=4 10746 B14R0.305 CNC(=O)CCOCCCCCC(C)C 34a_100011995859_100012179268 [0,2,0,0,0,0|2,0,0]=4 10747 B14R0.305 CNC(=O)CCOCCCCCC(C)C 7a_100011995859_100000737683 [0,2,0,0,0,0|2,0,0]=4 10748 B14R0.305 CNC(=O)CCSCCCCCC(C)C 62a_100000210682_100000737683 [0,2,0,0,0,0|2,0,0]=4 10749 B14R0.305 CNC(=O)CCSCCCCCC(C)C 62a_100000737683_100000210682 [0,2,0,0,0,0|2,0,0]=4 10750 B14R0.305 CNC(=O)CNCCCCCCC(C)C 2230a_100000211014_100000183359 [0,2,0,0,0,0|2,0,0]=4 10751 B14R0.305 CNC(=O)CNCCCCCCC(C)C 34a_100000211014_100000183359 [0,2,0,0,0,0|2,0,0]=4 10752 B14R0.305 COC(=O)CCCCCCCCC(=O)C 1458a_100000036616_200000210301 [0,2,0,0,0,0|0,0,1]=3 10753 B14R0.305 COC(=O)CCCCCCCCC(=O)C 1458a_100000070787_100010282707 [0,2,0,0,0,0|0,0,1]=3 10754 B14R0.305 COC(=O)CCCCCCCCC(=O)[13CH3] 1458a_100000036616_200025704644 [0,2,0,0,0,0|0,0,1]=3 10755 B14R0.305 COC(=O)CCCCCCCCN(C)C 2230a_100102631434_100010282707 [0,2,0,0,0,0|1,0,0]=3 10756 B14R0.305 COC(=O)CCCCCCCCN(C)C 269982a_100102631434_100010282707 [0,2,0,0,0,0|1,0,0]=3 10757 B14R0.305 COC(=O)CCCCCCCNC(=O)C 188690a_100000687944_100015343762 [0,2,0,0,0,0|1,0,1]=4 10758 B14R0.305 COC(=O)CCCCCCCNC(C)C 2230a_100138425928_100010004213 [0,2,0,0,0,0|1,0,0]=3 10759 B14R0.305 COC(=O)CCCCCCCNC(C)C 34a_100138425928_100010004213 [0,2,0,0,0,0|1,0,0]=3 10760 B14R0.305 COC(=O)CCCCCCCOC(C)C 34a_100000212225_100010004213 [0,2,0,0,0,0|1,0,0]=3 10761 B14R0.305 COC(=O)CCCCCCCOC(C)C 34a_100011022521_100000210206 [0,2,0,0,0,0|1,0,0]=3 10762 B14R0.305 COC(=O)CCCCCCCOC(C)C 7a_100011022521_100000210206 [0,2,0,0,0,0|1,0,0]=3 10763 B14R0.305 COC(=O)CCCCCCCSC(C)C 62a_100000210206_100010004213 [0,2,0,0,0,0|1,0,0]=3 10764 B14R0.305 COC(=O)CCCCCCCSC(C)C 62a_100010004213_100000210206 [0,2,0,0,0,0|1,0,0]=3 10765 B14R0.305 COC(=O)CCCCCCNCC(=O)O 269956a_100016091260_100009815986 [0,2,0,0,0,0|1,0,1]=4 10766 B14R0.305 COC(=O)CCCCCCNCC(C)C 2230a_100000210953_100009815986 [0,2,0,0,0,0|1,0,0]=3 10767 B14R0.305 COC(=O)CCCCCCNCC(C)C 34a_100000210953_100009815986 [0,2,0,0,0,0|1,0,0]=3 10768 B14R0.305 COC(=O)CCCCCCNCC(C)O 2230a_100000210904_100009815986 [0,2,0,0,0,0|1,0,0]=3 10769 B14R0.305 COC(=O)CCCCCCNCC(C)O 34a_100000210904_100009815986 [0,2,0,0,0,0|1,0,0]=3 10770 B14R0.305 COC(=O)CCCCCCNCC(F)F 34a_100000765723_100009815986 [0,2,0,0,0,0|2,0,0]=4 10771 B14R0.305 COC(=O)CCCCCCOCC(=O)C 34a_100000211253_100009815986 [0,2,0,0,0,0|1,0,1]=4 10772 B14R0.305 COC(=O)CCCCCCOCC(C)Br 34a_100012180447_100009815986 [0,2,0,0,0,0|1,0,0]=3 10773 B14R0.305 COC(=O)CCCCCCOCC(C)C 34a_100000210257_100009815986 [0,2,0,0,0,0|1,0,0]=3 10774 B14R0.305 COC(=O)CCCCCCOCC(C)C 34a_100009863599_100000210624 [0,2,0,0,0,0|1,0,0]=3 10775 B14R0.305 COC(=O)CCCCCCOCC(C)C 7a_100009863599_100000210760 [0,2,0,0,0,0|1,0,0]=3 10776 B14R0.305 COC(=O)CCCCCCOCC(C)F 34a_100015925927_100009815986 [0,2,0,0,0,0|1,0,0]=3 10777 B14R0.305 COC(=O)CCCCCCOCC(C)O 34a_100009863599_100011218427 [0,2,0,0,0,0|1,0,0]=3 10778 B14R0.305 COC(=O)CCCCCCOCC(C)O 7a_100009863599_100011218427 [0,2,0,0,0,0|1,0,0]=3 10779 B14R0.305 COC(=O)CCCCCCOCC(F)F 34a_100000743014_100009815986 [0,2,0,0,0,0|2,0,0]=4 10780 B14R0.305 COC(=O)CCCCCCOCC(F)F 34a_100009863599_100011934356 [0,2,0,0,0,0|2,0,0]=4 10781 B14R0.305 COC(=O)CCCCCCOCC(F)F 7a_100009863599_100011934356 [0,2,0,0,0,0|2,0,0]=4 10782 B14R0.305 COC(=O)CCCCCCOC[C@@H](C)Cl 34a_100016084084_100009815986 [0,2,0,0,0,0|1,0,0]=3 10783 B14R0.305 COC(=O)CCCCCCOC[C@@H](C)N 34a_100000737577_100009815986 [0,2,0,0,0,0|1,0,0]=3 10784 B14R0.305 COC(=O)CCCCCCOC[C@@H](C)O 34a_100009863599_100009817552 [0,2,0,0,0,0|1,0,0]=3 10785 B14R0.305 COC(=O)CCCCCCOC[C@@H](C)O 7a_100009863599_100009817552 [0,2,0,0,0,0|1,0,0]=3 10786 B14R0.305 COC(=O)CCCCCCSCC(C)C 62a_100000210624_100009815986 [0,2,0,0,0,0|1,0,0]=3 10787 B14R0.305 COC(=O)CCCCCCSCC(C)C 62a_100009815986_100000210760 [0,2,0,0,0,0|1,0,0]=3 10788 B14R0.305 COC(=O)CCCCCCSCC(C)O 62a_100009815986_100011218427 [0,2,0,0,0,0|1,0,0]=3 10789 B14R0.305 COC(=O)CCCCCCSCC(C)O 62a_100011218427_100009815986 [0,2,0,0,0,0|1,0,0]=3 10790 B14R0.305 COC(=O)CCCCCCSCC(F)F 62a_100009815986_100011934356 [0,2,0,0,0,0|2,0,0]=4 10791 B14R0.305 COC(=O)CCCCCCSCC(F)F 62a_100011934356_100009815986 [0,2,0,0,0,0|2,0,0]=4 10792 B14R0.305 COC(=O)CCCCCCSC[C@@H](C)O 62a_100009815986_100009817552 [0,2,0,0,0,0|1,0,0]=3 10793 B14R0.305 COC(=O)CCCCCCSC[C@@H](C)O 62a_100009817552_100009815986 [0,2,0,0,0,0|1,0,0]=3 10794 B14R0.305 COC(=O)CCCCCNCCC(C)O 2230a_200000755665_100009816466 [0,2,0,0,0,0|1,0,0]=3 10795 B14R0.305 COC(=O)CCCCCOCCC(=O)C 34a_100000759926_100009816466 [0,2,0,0,0,0|1,0,1]=4 10796 B14R0.305 COC(=O)CCCCCOCCC(=O)C 7a_100000074720_100000053229 [0,2,0,0,0,0|1,0,1]=4 10797 B14R0.305 COC(=O)CCCCCOCCC(=O)C 7a_100000759926_100009816466 [0,2,0,0,0,0|1,0,1]=4 10798 B14R0.305 COC(=O)CCCCCOCCC(C)Br 34a_100009893172_100009816466 [0,2,0,0,0,0|1,0,0]=3 10799 B14R0.305 COC(=O)CCCCCOCCC(C)C 34a_100000074720_100000210312 [0,2,0,0,0,0|1,0,0]=3 10800 B14R0.305 COC(=O)CCCCCOCCC(C)C 34a_100000210254_100009816466 [0,2,0,0,0,0|1,0,0]=3 10801 B14R0.305 COC(=O)CCCCCOCCC(C)C 7a_100000074720_100000210626 [0,2,0,0,0,0|1,0,0]=3 10802 B14R0.305 COC(=O)CCCCCOCCC(C)C 7a_100000210254_100009816466 [0,2,0,0,0,0|1,0,0]=3 10803 B14R0.305 COC(=O)CCCCCOCCC(C)O 34a_100000074720_100012276601 [0,2,0,0,0,0|1,0,0]=3 10804 B14R0.305 COC(=O)CCCCCOCCC(C)O 7a_100000074720_100012276601 [0,2,0,0,0,0|1,0,0]=3 10805 B14R0.305 COC(=O)CCCCCOCCC(F)F 34a_100103093639_100009816466 [0,2,0,0,0,0|2,0,0]=4 10806 B14R0.305 COC(=O)CCCCCOCCN(C)C 7a_100000074720_100000755713 [0,2,0,0,0,0|2,0,0]=4 10807 B14R0.305 COC(=O)CCCCCOCC[C@@H](C)N 34a_100000706166_100009816466 [0,2,0,0,0,0|1,0,0]=3 10808 B14R0.305 COC(=O)CCCCCOCOC(C)C 34a_100000074720_100000709892 [0,2,0,0,0,0|2,0,0]=4 10809 B14R0.305 COC(=O)CCCCCSCCC(=O)C 62a_100000053229_100009816466 [0,2,0,0,0,0|1,0,1]=4 10810 B14R0.305 COC(=O)CCCCCSCCC(=O)C 62a_100009816466_100000053229 [0,2,0,0,0,0|1,0,1]=4 10811 B14R0.305 COC(=O)CCCCCSCCC(C)C 62a_100000210312_100009816466 [0,2,0,0,0,0|1,0,0]=3 10812 B14R0.305 COC(=O)CCCCCSCCC(C)C 62a_100009816466_100000210312 [0,2,0,0,0,0|1,0,0]=3 10813 B14R0.305 COC(=O)CCCCCSCCC(C)O 62a_100009816466_100012276601 [0,2,0,0,0,0|1,0,0]=3 10814 B14R0.305 COC(=O)CCCCCSCCC(C)O 62a_100012276601_100009816466 [0,2,0,0,0,0|1,0,0]=3 10815 B14R0.305 COC(=O)CCCCCSCCN(C)C 62a_100009816466_100000755713 [0,2,0,0,0,0|2,0,0]=4 10816 B14R0.305 COC(=O)CCCCCSCOC(C)C 62a_100000709892_100009816466 [0,2,0,0,0,0|2,0,0]=4 10817 B14R0.305 COC(=O)CCCCCSCOC(C)C 62a_100009816466_100000709892 [0,2,0,0,0,0|2,0,0]=4 10818 B14R0.305 COC(=O)CCCCNCCCC(C)C 2230a_200000737386_100000204269 [0,2,0,0,0,0|1,0,0]=3 10819 B14R0.305 COC(=O)CCCCNCCCC(C)C 34a_200000737386_100000204269 [0,2,0,0,0,0|1,0,0]=3 10820 B14R0.305 COC(=O)CCCCNCCCS(=O)C 2230a_200000753449_100000204269 [0,2,0,0,0,0|2,0,0]=4 10821 B14R0.305 COC(=O)CCCCNCCOC(C)C 2230a_100000701111_100000204269 [0,2,0,0,0,0|2,0,0]=4 10822 B14R0.305 COC(=O)CCCCNCCOC(C)C 34a_100000701111_100000204269 [0,2,0,0,0,0|2,0,0]=4 10823 B14R0.305 COC(=O)CCCCNCCSC(C)C 2230a_100000731138_100000204269 [0,2,0,0,0,0|2,0,0]=4 10824 B14R0.305 COC(=O)CCCCNCCSC(C)C 34a_100000731138_100000204269 [0,2,0,0,0,0|2,0,0]=4 10825 B14R0.305 COC(=O)CCCCOCCCC(=O)C 34a_100000059025_100000685027 [0,2,0,0,0,0|1,0,1]=4 10826 B14R0.305 COC(=O)CCCCOCCCC(=O)C 34a_100000759063_100000204269 [0,2,0,0,0,0|1,0,1]=4 10827 B14R0.305 COC(=O)CCCCOCCCC(=O)C 7a_100000059025_100011215641 [0,2,0,0,0,0|1,0,1]=4 10828 B14R0.305 COC(=O)CCCCOCCCC(=O)C 7a_100000759063_100000204269 [0,2,0,0,0,0|1,0,1]=4 10829 B14R0.305 COC(=O)CCCCOCCCC(C)C 34a_100000059025_100011214892 [0,2,0,0,0,0|1,0,0]=3 10830 B14R0.305 COC(=O)CCCCOCCCC(C)C 34a_100000210774_100000204269 [0,2,0,0,0,0|1,0,0]=3 10831 B14R0.305 COC(=O)CCCCOCCCC(C)C 7a_100000059025_100011214892 [0,2,0,0,0,0|1,0,0]=3 10832 B14R0.305 COC(=O)CCCCOCCCC(C)C 7a_100000210774_100000204269 [0,2,0,0,0,0|1,0,0]=3 10833 B14R0.305 COC(=O)CCCCOCCCC(C)O 34a_100000059025_200000718107 [0,2,0,0,0,0|1,0,0]=3 10834 B14R0.305 COC(=O)CCCCOCCCC(C)O 7a_100000059025_200000718107 [0,2,0,0,0,0|1,0,0]=3 10835 B14R0.305 COC(=O)CCCCOCCCN(C)C 7a_100000059025_100000757444 [0,2,0,0,0,0|2,0,0]=4 10836 B14R0.305 COC(=O)CCCCOCCNC(C)C 34a_100000224655_100000204269 [0,2,0,0,0,0|2,0,0]=4 10837 B14R0.305 COC(=O)CCCCOCCOC(C)C 34a_100000059025_100000211751 [0,2,0,0,0,0|2,0,0]=4 10838 B14R0.305 COC(=O)CCCCOCCOC(C)C 34a_100000211219_100000204269 [0,2,0,0,0,0|2,0,0]=4 10839 B14R0.305 COC(=O)CCCCOCCOC(C)C 7a_100000059025_100000211751 [0,2,0,0,0,0|2,0,0]=4 10840 B14R0.305 COC(=O)CCCCOCCOC(C)C 7a_100000211219_100000204269 [0,2,0,0,0,0|2,0,0]=4 10841 B14R0.305 COC(=O)CCCCOCCSC(C)C 34a_100000059025_100000730970 [0,2,0,0,0,0|2,0,0]=4 10842 B14R0.305 COC(=O)CCCCOCCSC(C)C 34a_200011212901_100000204269 [0,2,0,0,0,0|2,0,0]=4 10843 B14R0.305 COC(=O)CCCCOCCSC(C)C 7a_100000059025_100000730970 [0,2,0,0,0,0|2,0,0]=4 10844 B14R0.305 COC(=O)CCCCOCCSC(C)C 7a_200011212901_100000204269 [0,2,0,0,0,0|2,0,0]=4 10845 B14R0.305 COC(=O)CCCCSCCCC(=O)C 62a_100000204269_100011215641 [0,2,0,0,0,0|1,0,1]=4 10846 B14R0.305 COC(=O)CCCCSCCCC(=O)C 62a_100011215641_100000204269 [0,2,0,0,0,0|1,0,1]=4 10847 B14R0.305 COC(=O)CCCCSCCCC(C)C 62a_100000204269_100011214892 [0,2,0,0,0,0|1,0,0]=3 10848 B14R0.305 COC(=O)CCCCSCCCC(C)C 62a_100011214892_100000204269 [0,2,0,0,0,0|1,0,0]=3 10849 B14R0.305 COC(=O)CCCCSCCCC(C)O 62a_100000204269_200000718107 [0,2,0,0,0,0|1,0,0]=3 10850 B14R0.305 COC(=O)CCCCSCCCC(C)O 62a_200000718107_100000204269 [0,2,0,0,0,0|1,0,0]=3 10851 B14R0.305 COC(=O)CCCCSCCCN(C)C 62a_100000204269_100000757444 [0,2,0,0,0,0|2,0,0]=4 10852 B14R0.305 COC(=O)CCCCSCCOC(C)C 62a_100000204269_100000211751 [0,2,0,0,0,0|2,0,0]=4 10853 B14R0.305 COC(=O)CCCCSCCOC(C)C 62a_100000211751_100000204269 [0,2,0,0,0,0|2,0,0]=4 10854 B14R0.305 COC(=O)CCCCSCCSC(C)C 62a_100000204269_100000730970 [0,2,0,0,0,0|2,0,0]=4 10855 B14R0.305 COC(=O)CCCCSCCSC(C)C 62a_100000730970_100000204269 [0,2,0,0,0,0|2,0,0]=4 10856 B14R0.305 COC(=O)CCCNCCCOC(C)C 2230a_100000737246_100011218270 [0,2,0,0,0,0|2,0,0]=4 10857 B14R0.305 COC(=O)CCCNCCCOC(C)C 34a_100000737246_100000742333 [0,2,0,0,0,0|2,0,0]=4 10858 B14R0.305 COC(=O)CCCOCCCCC(C)C 34a_100011214890_100000742333 [0,2,0,0,0,0|1,0,0]=3 10859 B14R0.305 COC(=O)CCCOCCCCC(C)C 7a_100011214890_100011218270 [0,2,0,0,0,0|1,0,0]=3 10860 B14R0.305 COC(=O)CCCOCCCNC(C)C 34a_100000182298_100000742333 [0,2,0,0,0,0|2,0,0]=4 10861 B14R0.305 COC(=O)CCCOCCNCC(C)C 34a_100015185251_100000742333 [0,2,0,0,0,0|2,0,0]=4 10862 B14R0.305 COC(=O)CCCOCCOCC(C)C 34a_100000703358_100000742333 [0,2,0,0,0,0|2,0,0]=4 10863 B14R0.305 COC(=O)CCCOCCOCC(C)C 7a_100000703358_100011218270 [0,2,0,0,0,0|2,0,0]=4 10864 B14R0.305 COC(=O)CCCOCCSCC(C)C 34a_200000230437_100000742333 [0,2,0,0,0,0|2,0,0]=4 10865 B14R0.305 COC(=O)CCCOCCSCC(C)C 7a_200000230437_100011218270 [0,2,0,0,0,0|2,0,0]=4 10866 B14R0.305 COC(=O)CCCSCCCCC(=O)C 62a_100000735457_100011218270 [0,2,0,0,0,0|1,0,1]=4 10867 B14R0.305 COC(=O)CCCSCCCCC(=O)C 62a_100011218270_100000735457 [0,2,0,0,0,0|1,0,1]=4 10868 B14R0.305 COC(=O)CCCSCCCCC(C)C 62a_100011216152_100011218270 [0,2,0,0,0,0|1,0,0]=3 10869 B14R0.305 COC(=O)CCCSCCCCC(C)C 62a_100011218270_100011216152 [0,2,0,0,0,0|1,0,0]=3 10870 B14R0.305 COC(=O)CCCSCCCCN(C)C 62a_100011218270_100000690147 [0,2,0,0,0,0|2,0,0]=4 10871 B14R0.305 COC(=O)CCNCCCCCC(C)C 2230a_100011290863_100000204255 [0,2,0,0,0,0|1,0,0]=3 10872 B14R0.305 COC(=O)CCNCCCCCC(C)C 34a_100011290863_100000742370 [0,2,0,0,0,0|1,0,0]=3 10873 B14R0.305 COC(=O)CCNCCCOCC(C)C 2230a_100000205972_100000204255 [0,2,0,0,0,0|2,0,0]=4 10874 B14R0.305 COC(=O)CCNCCCOCC(C)C 34a_100000205972_100000742370 [0,2,0,0,0,0|2,0,0]=4 10875 B14R0.305 COC(=O)CCOCCCCCC(C)C 34a_100011995859_100000742370 [0,2,0,0,0,0|1,0,0]=3 10876 B14R0.305 COC(=O)CCOCCCCCC(C)C 7a_100011995859_100000204255 [0,2,0,0,0,0|1,0,0]=3 10877 B14R0.305 COC(=O)CCOCCCCNC(C)C 34a_100011521146_100000742370 [0,2,0,0,0,0|2,0,0]=4 10878 B14R0.305 COC(=O)CCSCCCCCC(C)C 62a_100000204255_100000210682 [0,2,0,0,0,0|1,0,0]=3 10879 B14R0.305 COC(=O)CCSCCCCCC(C)C 62a_100000210682_100000204255 [0,2,0,0,0,0|1,0,0]=3 10880 B14R0.305 COC(=O)CNCCCCCCC(C)C 2230a_100000211014_100000747449 [0,2,0,0,0,0|1,0,0]=3 10881 B14R0.305 COC(=O)CNCCCCCCC(C)C 34a_100000211014_100000747449 [0,2,0,0,0,0|1,0,0]=3 10882 B14R0.305 COC(=O)COCCCCCNC(C)C 34a_100011629493_100000747449 [0,2,0,0,0,0|2,0,0]=4 10883 B14R0.305 COC(=O)COCCNCCCC(C)C 2230a_200000737386_100000090808 [0,2,0,0,0,0|2,0,0]=4 10884 B14R0.305 COC(=O)COCCNCCCC(C)C 34a_200000737386_100000090808 [0,2,0,0,0,0|2,0,0]=4 10885 B14R0.305 COC(=O)COCCOCCCC(C)C 34a_100000210774_100000090808 [0,2,0,0,0,0|2,0,0]=4 10886 B14R0.305 COC(=O)COCCOCCCC(C)C 7a_100000210774_100000090808 [0,2,0,0,0,0|2,0,0]=4 10887 B14R0.305 COC(=O)COCCSCCCC(C)C 62a_100000090808_100011214892 [0,2,0,0,0,0|2,0,0]=4 10888 B14R0.305 COC(=O)COCCSCCCC(C)C 62a_100011214892_100000090808 [0,2,0,0,0,0|2,0,0]=4 10889 B14R0.305 COC(=O)COCCSCCCC(C)O 62a_100000090808_200000718107 [0,2,0,0,0,0|2,0,0]=4 10890 B14R0.305 COC(=O)COCCSCCCC(C)O 62a_200000718107_100000090808 [0,2,0,0,0,0|2,0,0]=4 10891 B14R0.305 COC(=O)NCCOCCCCC(C)C 34a_100000757965_100011216152 [0,2,0,0,0,0|2,0,0]=4 10892 B14R0.305 COC(=O)OCCOCCCCC(C)C 34a_100010262106_100011216152 [0,2,0,0,0,0|2,0,0]=4 10893 B14R0.305 COC(=O)OCSCCCCCC(C)C 62a_100000210682_100000139417 [0,2,0,0,0,0|2,0,0]=4 10894 B14R0.305 COC(C)CCOCCCCCC(=O)N 7a_100000764861_100009817443 [0,2,0,0,0,0|2,0,0]=4 10895 B14R0.337 C#CC(=O)CCCCCCCCCC=C 1458a_100000211873_100009814027 [0,2,0,0,0,0|1,0,1]=4 10896 B14R0.337 C#CC(=O)CCCCCCCCCCC 1458a_100000211873_100011215454 [0,2,0,0,0,0|1,0,0]=3 10897 B14R0.337 C#CC(=O)CCCCCCCCCCO 1458a_100000211873_100009813290 [0,2,0,0,0,0|1,0,0]=3 10898 B14R0.337 C#CC(O)CCCCCNCCCCC 2230a_100000209983_200010408556 [0,2,0,0,0,0|1,0,1]=4 10899 B14R0.337 C#CC(O)CCCCCOCCCCC 34a_100000210253_200010408556 [0,2,0,0,0,0|1,0,1]=4 10900 B14R0.337 C#CC(O)CCCCCOCCCCC 7a_100000210253_200010408556 [0,2,0,0,0,0|1,0,1]=4 10901 B14R0.337 C#CC(O)CCCCCSCCCCC 62a_100000210326_200010408556 [0,2,0,0,0,0|1,0,1]=4 10902 B14R0.337 C#CC(O)CCCCCSCCCCC 62a_200010408556_100000210326 [0,2,0,0,0,0|1,0,1]=4 10903 B14R0.337 C#CCCCCCCCOCC(=O)OC 34a_100000054614_100000747449 [0,2,0,0,0,0|0,0,2]=4 10904 B14R0.337 C#CCCCCCCCOCC(=O)OC 7a_100000054614_100000747449 [0,2,0,0,0,0|0,0,2]=4 10905 B14R0.337 C#CCCCCCCCSCC(=O)OC 62a_100000747449_100153394163 [0,2,0,0,0,0|0,0,2]=4 10906 B14R0.337 C#CCCCCCCCSCC(=O)OC 62a_100153394163_100000747449 [0,2,0,0,0,0|0,0,2]=4 10907 B14R0.337 C#CCCCCCCOCCC(=O)OC 34a_100011217361_100000742370 [0,2,0,0,0,0|0,0,2]=4 10908 B14R0.337 C#CCCCCCCOCCC(=O)OC 7a_100011217361_100000204255 [0,2,0,0,0,0|0,0,2]=4 10909 B14R0.337 C#CCCCCCCSCCC(=O)OC 62a_100000204255_100012276617 [0,2,0,0,0,0|0,0,2]=4 10910 B14R0.337 C#CCCCCCCSCCC(=O)OC 62a_100012276617_100000204255 [0,2,0,0,0,0|0,0,2]=4 10911 B14R0.337 C#CCCCCCOCCCC(=O)OC 34a_100000766912_100000742333 [0,2,0,0,0,0|0,0,2]=4 10912 B14R0.337 C#CCCCCCOCCCC(=O)OC 7a_100000766912_100011218270 [0,2,0,0,0,0|0,0,2]=4 10913 B14R0.337 C#CCCCCCSCCCC(=O)OC 62a_100011218270_100012094781 [0,2,0,0,0,0|0,0,2]=4 10914 B14R0.337 C#CCCCCCSCCCC(=O)OC 62a_100012094781_100011218270 [0,2,0,0,0,0|0,0,2]=4 10915 B14R0.337 C#CCCCCNCCCCC(=O)OC 2230a_100000706060_100000204269 [0,2,0,0,0,0|0,0,2]=4 10916 B14R0.337 C#CCCCCNCCCCC(=O)OC 34a_100000706060_100000204269 [0,2,0,0,0,0|0,0,2]=4 10917 B14R0.337 C#CCCCCOCCCCC(=O)OC 34a_100000059025_100010269958 [0,2,0,0,0,0|0,0,2]=4 10918 B14R0.337 C#CCCCCOCCCCC(=O)OC 34a_100000766709_100000204269 [0,2,0,0,0,0|0,0,2]=4 10919 B14R0.337 C#CCCCCOCCCCC(=O)OC 7a_100000059025_100010269958 [0,2,0,0,0,0|0,0,2]=4 10920 B14R0.337 C#CCCCCOCCCCC(=O)OC 7a_100000766709_100000204269 [0,2,0,0,0,0|0,0,2]=4 10921 B14R0.337 C#CCCCCSCCCCC(=O)OC 62a_100000204269_100010269958 [0,2,0,0,0,0|0,0,2]=4 10922 B14R0.337 C#CCCCCSCCCCC(=O)OC 62a_100010269958_100000204269 [0,2,0,0,0,0|0,0,2]=4 10923 B14R0.337 C#CCCCNCCCCCC(=O)OC 34a_100000718082_100009816466 [0,2,0,0,0,0|0,0,2]=4 10924 B14R0.337 C#CCCCOCCCCCC(=O)OC 34a_100000074720_100000695029 [0,2,0,0,0,0|0,0,2]=4 10925 B14R0.337 C#CCCCOCCCCCC(=O)OC 34a_100000215630_100009816466 [0,2,0,0,0,0|0,0,2]=4 10926 B14R0.337 C#CCCCOCCCCCC(=O)OC 7a_100000074720_100011215417 [0,2,0,0,0,0|0,0,2]=4 10927 B14R0.337 C#CCCCOCCCCCC(=O)OC 7a_100000215630_100009816466 [0,2,0,0,0,0|0,0,2]=4 10928 B14R0.337 C#CCCCSCCCCCC(=O)OC 62a_100009816466_100011215417 [0,2,0,0,0,0|0,0,2]=4 10929 B14R0.337 C#CCCCSCCCCCC(=O)OC 62a_100011215417_100009816466 [0,2,0,0,0,0|0,0,2]=4 10930 B14R0.337 C#CCCNCCCCCCC(=O)OC 34a_100000755551_100009815986 [0,2,0,0,0,0|0,0,2]=4 10931 B14R0.337 C#CCCOCCCCCCC(=O)OC 34a_100009863599_100000688953 [0,2,0,0,0,0|0,0,2]=4 10932 B14R0.337 C#CCCOCCCCCCC(=O)OC 34a_100011215631_100009815986 [0,2,0,0,0,0|0,0,2]=4 10933 B14R0.337 C#CCCOCCCCCCC(=O)OC 7a_100009863599_100000688953 [0,2,0,0,0,0|0,0,2]=4 10934 B14R0.337 C#CCCSCCCCCCC(=O)OC 62a_100000688953_100009815986 [0,2,0,0,0,0|0,0,2]=4 10935 B14R0.337 C#CCCSCCCCCCC(=O)OC 62a_100009815986_100000688953 [0,2,0,0,0,0|0,0,2]=4 10936 B14R0.337 C#CCNCCCCCCCC(=O)OC 34a_100000212058_100010004213 [0,2,0,0,0,0|0,0,2]=4 10937 B14R0.337 C#CCOCCCCCCCC(=O)OC 34a_100000210247_100010004213 [0,2,0,0,0,0|0,0,2]=4 10938 B14R0.337 C#CCOCCCCCCCC(=O)OC 34a_100011022521_100000184674 [0,2,0,0,0,0|0,0,2]=4 10939 B14R0.337 C#CCOCCCCCCCC(=O)OC 7a_100011022521_100000038162 [0,2,0,0,0,0|0,0,2]=4 10940 B14R0.337 C#CCSCCCCCCCC(=O)OC 62a_100000038162_100010004213 [0,2,0,0,0,0|0,0,2]=4 10941 B14R0.337 C/C=C/CCOCCCCCC(=O)OC 34a_100016278192_100009816466 [0,2,0,0,0,0|0,0,2]=4 10942 B14R0.337 C/C=C/COCCCCCCC(=O)OC 34a_100009863599_100102629194 [0,2,0,0,0,0|0,0,2]=4 10943 B14R0.337 C/C=C/COCCCCCCC(=O)OC 34a_100016270725_100009815986 [0,2,0,0,0,0|0,0,2]=4 10944 B14R0.337 C/C=C/COCCCCCCC(=O)OC 7a_100009863599_100102629194 [0,2,0,0,0,0|0,0,2]=4 10945 B14R0.337 C/C=C/CSCCCCCCC(=O)OC 62a_100009815986_100102629194 [0,2,0,0,0,0|0,0,2]=4 10946 B14R0.337 C/C=C/CSCCCCCCC(=O)OC 62a_100102629194_100009815986 [0,2,0,0,0,0|0,0,2]=4 10947 B14R0.337 C=C(C#N)CNCCCCCCCCC 2230a_100000212291_100000694840 [0,2,0,0,0,0|2,0,0]=4 10948 B14R0.337 C=C(C#N)CNCCCCCCCCC 34a_100000212291_100000694840 [0,2,0,0,0,0|2,0,0]=4 10949 B14R0.337 C=C(C#N)COCCCCCCCCC 34a_100000210712_100000694840 [0,2,0,0,0,0|2,0,0]=4 10950 B14R0.337 C=CC(=O)CCCCCCCCCCC 1458a_100000185746_100011215454 [0,2,0,0,0,0|1,0,0]=3 10951 B14R0.337 C=CC(=O)CCCCCCCCCCO 1458a_100000185746_100009813290 [0,2,0,0,0,0|1,0,0]=3 10952 B14R0.337 C=CC(=O)NCCCCCCCCCC 1626a_100000684558_100000185746 [0,2,0,0,0,0|1,0,0]=3 10953 B14R0.337 C=CC(=O)NCCCCCCCCCC 240690a_100000684558_200121576911 [0,2,0,0,0,0|1,0,0]=3 10954 B14R0.337 C=CC(=O)NCCCCCCCCCO 240690a_100000078944_200121576911 [0,2,0,0,0,0|2,0,0]=4 10955 B14R0.337 C=CC(=O)NCCCCOCCCCC 34a_100014118770_100000718602 [0,2,0,0,0,0|2,0,0]=4 10956 B14R0.337 C=CC(=O)NCCNCCCCCCC 2230a_114873766552_100000210681 [0,2,0,0,0,0|2,0,0]=4 10957 B14R0.337 C=CC(=O)NCCOCCCCCCC 34a_100011304386_100000210614 [0,2,0,0,0,0|2,0,0]=4 10958 B14R0.337 C=CC(=O)OCCCCCCOCCC 34a_100000210258_100009894100 [0,2,0,0,0,0|2,0,0]=4 10959 B14R0.337 C=CC(=O)OCCCCCCSCCC 62a_100000210303_100009894100 [0,2,0,0,0,0|2,0,0]=4 10960 B14R0.337 C=CC(=O)OCCCCCCSCCC 62a_100009894100_100000210303 [0,2,0,0,0,0|2,0,0]=4 10961 B14R0.337 C=CC(=O)OCCCCCOCCCC 7a_200011023508_100000210211 [0,2,0,0,0,0|2,0,0]=4 10962 B14R0.337 C=CC(=O)OCCNCCCCCCC 2230a_100000229938_100009813456 [0,2,0,0,0,0|2,0,0]=4 10963 B14R0.337 C=CC(=O)OCCOCCCCCCC 34a_100000210272_100009813456 [0,2,0,0,0,0|2,0,0]=4 10964 B14R0.337 C=CC(=O)OCCOCCCCCCC 7a_100000210272_100009813456 [0,2,0,0,0,0|2,0,0]=4 10965 B14R0.337 C=CC(=O)OCCSCCCCCCC 62a_100000210614_100009813456 [0,2,0,0,0,0|2,0,0]=4 10966 B14R0.337 C=CC(=O)OCCSCCCCCCC 62a_100009813456_100000210316 [0,2,0,0,0,0|2,0,0]=4 10967 B14R0.337 C=CC(O)CNCCCCCCCCC 2230a_100000212291_100000730141 [0,2,0,0,0,0|1,0,1]=4 10968 B14R0.337 C=CC(O)CNCCCCCCCCC 34a_100000212291_100000730141 [0,2,0,0,0,0|1,0,1]=4 10969 B14R0.337 C=CC(O)COCCCCCCCCC 34a_100000210712_100000730141 [0,2,0,0,0,0|1,0,1]=4 10970 B14R0.337 C=CC(O)COCCCCCCCCC 7a_100000210712_100000730141 [0,2,0,0,0,0|1,0,1]=4 10971 B14R0.337 C=CC(O)CSCCCCCCCCC 62a_100000730141_100000210670 [0,2,0,0,0,0|1,0,1]=4 10972 B14R0.337 C=CCCCCCCCCCC(=O)C=C 1458a_100000185746_100009814027 [0,2,0,0,0,0|1,0,1]=4 10973 B14R0.337 C=CCCCCCCCCCC(=O)CC 1458a_100000210414_100009814027 [0,2,0,0,0,0|1,0,1]=4 10974 B14R0.337 C=CCCCCCCCCCC(=O)CO 1458a_100000210174_100009814027 [0,2,0,0,0,0|0,0,1]=3 10975 B14R0.337 C=CCCCCCCCOCC(=O)OC 34a_100000730831_100000747449 [0,2,0,0,0,0|0,0,2]=4 10976 B14R0.337 C=CCCCCCCCOCC(=O)OC 7a_100000730831_100000747449 [0,2,0,0,0,0|0,0,2]=4 10977 B14R0.337 C=CCCCCCCCSCC(=O)OC 62a_100000747449_100012355270 [0,2,0,0,0,0|0,0,2]=4 10978 B14R0.337 C=CCCCCCCCSCC(=O)OC 62a_100012355270_100000747449 [0,2,0,0,0,0|0,0,2]=4 10979 B14R0.337 C=CCCCCCCOCCC(=O)OC 34a_200011216477_100000742370 [0,2,0,0,0,0|0,0,2]=4 10980 B14R0.337 C=CCCCCCCOCCC(=O)OC 7a_200011216477_100000204255 [0,2,0,0,0,0|0,0,2]=4 10981 B14R0.337 C=CCCCCCCSCCC(=O)OC 62a_100000204255_100011215473 [0,2,0,0,0,0|0,0,2]=4 10982 B14R0.337 C=CCCCCCCSCCC(=O)OC 62a_100011215473_100000204255 [0,2,0,0,0,0|0,0,2]=4 10983 B14R0.337 C=CCCCCCOCCCC(=O)OC 34a_100011216702_100000742333 [0,2,0,0,0,0|0,0,2]=4 10984 B14R0.337 C=CCCCCCOCCCC(=O)OC 7a_100011216702_100011218270 [0,2,0,0,0,0|0,0,2]=4 10985 B14R0.337 C=CCCCCCSCCCC(=O)OC 62a_100000700193_100011218270 [0,2,0,0,0,0|0,0,2]=4 10986 B14R0.337 C=CCCCCCSCCCC(=O)OC 62a_100011218270_100000700193 [0,2,0,0,0,0|0,0,2]=4 10987 B14R0.337 C=CCCCCNCCCCC(=O)OC 2230a_100000703577_100000204269 [0,2,0,0,0,0|0,0,2]=4 10988 B14R0.337 C=CCCCCNCCCCC(=O)OC 34a_100000703577_100000204269 [0,2,0,0,0,0|0,0,2]=4 10989 B14R0.337 C=CCCCCOCCCCC(=O)OC 34a_100000059025_100011215482 [0,2,0,0,0,0|0,0,2]=4 10990 B14R0.337 C=CCCCCOCCCCC(=O)OC 34a_100000766645_100000204269 [0,2,0,0,0,0|0,0,2]=4 10991 B14R0.337 C=CCCCCOCCCCC(=O)OC 7a_100000059025_100011215482 [0,2,0,0,0,0|0,0,2]=4 10992 B14R0.337 C=CCCCCOCCCCC(=O)OC 7a_100000766645_100000204269 [0,2,0,0,0,0|0,0,2]=4 10993 B14R0.337 C=CCCCCSCCCCC(=O)OC 62a_100000204269_100011215482 [0,2,0,0,0,0|0,0,2]=4 10994 B14R0.337 C=CCCCCSCCCCC(=O)OC 62a_100011215482_100000204269 [0,2,0,0,0,0|0,0,2]=4 10995 B14R0.337 C=CCCCNCCCCCC(=O)OC 2230a_100000700776_100009816466 [0,2,0,0,0,0|0,0,2]=4 10996 B14R0.337 C=CCCCNCCCCCC(=O)OC 34a_100000700776_100009816466 [0,2,0,0,0,0|0,0,2]=4 10997 B14R0.337 C=CCCCOCCCCCC(=O)OC 34a_100000074720_100000757094 [0,2,0,0,0,0|0,0,2]=4 10998 B14R0.337 C=CCCCOCCCCCC(=O)OC 34a_100000758997_100009816466 [0,2,0,0,0,0|0,0,2]=4 10999 B14R0.337 C=CCCCOCCCCCC(=O)OC 7a_100000074720_100000757094 [0,2,0,0,0,0|0,0,2]=4 11000 B14R0.337 C=CCCCOCCCCCC(=O)OC 7a_100000758997_100009816466 [0,2,0,0,0,0|0,0,2]=4 11001 B14R0.337 C=CCCCSCCCCCC(=O)OC 62a_100009816466_100000757094 [0,2,0,0,0,0|0,0,2]=4 11002 B14R0.337 C=CCCCSCCCCCC(=O)OC 62a_100011713584_100009816466 [0,2,0,0,0,0|0,0,2]=4 11003 B14R0.337 C=CCCNCCCCCCC(=O)OC 2230a_100015191253_100009815986 [0,2,0,0,0,0|0,0,2]=4 11004 B14R0.337 C=CCCOCCCCCCC(=O)OC 34a_100009863599_100000754431 [0,2,0,0,0,0|0,0,2]=4 11005 B14R0.337 C=CCCOCCCCCCC(=O)OC 34a_100011205117_100009815986 [0,2,0,0,0,0|0,0,2]=4 11006 B14R0.337 C=CCCOCCCCCCC(=O)OC 7a_100009863599_100000754431 [0,2,0,0,0,0|0,0,2]=4 11007 B14R0.337 C=CCCSCCCCCCC(=O)OC 62a_100000754431_100009815986 [0,2,0,0,0,0|0,0,2]=4 11008 B14R0.337 C=CCCSCCCCCCC(=O)OC 62a_100009815986_100000754431 [0,2,0,0,0,0|0,0,2]=4 11009 B14R0.337 C=CCNCCCCCCCC(=O)OC 2230a_100020586998_100010004213 [0,2,0,0,0,0|0,0,2]=4 11010 B14R0.337 C=CCOCCCCCCCC(=O)OC 34a_100011022521_100015514636 [0,2,0,0,0,0|0,0,2]=4 11011 B14R0.337 C=CCOCCCCCCCC(=O)OC 34a_200000210373_100010004213 [0,2,0,0,0,0|0,0,2]=4 11012 B14R0.337 C=CCOCCCCCCCC(=O)OC 7a_100011022521_100015514636 [0,2,0,0,0,0|0,0,2]=4 11013 B14R0.337 C=CCSCCCCCCCC(=O)OC 62a_100000210623_100010004213 [0,2,0,0,0,0|0,0,2]=4 11014 B14R0.337 C=CCSCCCCCCCC(=O)OC 62a_100010004213_100000210623 [0,2,0,0,0,0|0,0,2]=4 11015 B14R0.337 CC#CCCOCCCCCC(=O)OC 34a_100000750427_100009816466 [0,2,0,0,0,0|0,0,2]=4 11016 B14R0.337 CC#CCNCCCCCCC(=O)OC 2230a_100000685387_100009815986 [0,2,0,0,0,0|0,0,2]=4 11017 B14R0.337 CC#CCNCCCCCCC(=O)OC 34a_100000685387_100009815986 [0,2,0,0,0,0|0,0,2]=4 11018 B14R0.337 CC#CCOCCCCCCC(=O)OC 34a_100000761923_100009815986 [0,2,0,0,0,0|0,0,2]=4 11019 B14R0.337 CC#CCOCCCCCCC(=O)OC 34a_100009863599_100000748600 [0,2,0,0,0,0|0,0,2]=4 11020 B14R0.337 CC#CCOCCCCCCC(=O)OC 7a_100009863599_100000748600 [0,2,0,0,0,0|0,0,2]=4 11021 B14R0.337 CC#CCSCCCCCCC(=O)OC 62a_100000748600_100009815986 [0,2,0,0,0,0|0,0,2]=4 11022 B14R0.337 CC#CCSCCCCCCC(=O)OC 62a_100009815986_100000748600 [0,2,0,0,0,0|0,0,2]=4 11023 B14R0.337 CC/C=C/CCCOCCCC(=O)OC 34a_100016287902_100000742333 [0,2,0,0,0,0|0,0,2]=4 11024 B14R0.337 CC/C=C/CCCOCCCC(=O)OC 7a_100016287902_100011218270 [0,2,0,0,0,0|0,0,2]=4 11025 B14R0.337 CC/C=C\CCCCCOCC(=O)OC 34a_100016268722_100000747449 [0,2,0,0,0,0|0,0,2]=4 11026 B14R0.337 CC/C=C\CCCCCOCC(=O)OC 7a_100016268722_100000747449 [0,2,0,0,0,0|0,0,2]=4 11027 B14R0.337 CC/C=C\CCCCOCCC(=O)OC 34a_100016287862_100000742370 [0,2,0,0,0,0|0,0,2]=4 11028 B14R0.337 CC/C=C\CCCCOCCC(=O)OC 7a_100016287862_100000204255 [0,2,0,0,0,0|0,0,2]=4 11029 B14R0.337 CC/C=C\CCOCCCCC(=O)OC 34a_100000059025_100015370543 [0,2,0,0,0,0|0,0,2]=4 11030 B14R0.337 CC/C=C\CCOCCCCC(=O)OC 34a_100016288707_100000204269 [0,2,0,0,0,0|0,0,2]=4 11031 B14R0.337 CC/C=C\CCOCCCCC(=O)OC 7a_100000059025_100015370543 [0,2,0,0,0,0|0,0,2]=4 11032 B14R0.337 CC/C=C\CCOCCCCC(=O)OC 7a_100016288707_100000204269 [0,2,0,0,0,0|0,0,2]=4 11033 B14R0.337 CC/C=C\CCSCCCCC(=O)OC 62a_100000204269_100015370543 [0,2,0,0,0,0|0,0,2]=4 11034 B14R0.337 CC/C=C\CCSCCCCC(=O)OC 62a_100015370543_100000204269 [0,2,0,0,0,0|0,0,2]=4 11035 B14R0.337 CC/C=C\COCCCCCC(=O)OC 34a_100000074720_100103147603 [0,2,0,0,0,0|0,0,2]=4 11036 B14R0.337 CC/C=C\COCCCCCC(=O)OC 34a_100016268518_100009816466 [0,2,0,0,0,0|0,0,2]=4 11037 B14R0.337 CC/C=C\COCCCCCC(=O)OC 7a_100000074720_100103147603 [0,2,0,0,0,0|0,0,2]=4 11038 B14R0.337 CC/C=C\CSCCCCCC(=O)OC 62a_100009816466_100103147603 [0,2,0,0,0,0|0,0,2]=4 11039 B14R0.337 CC/C=C\CSCCCCCC(=O)OC 62a_100103147603_100009816466 [0,2,0,0,0,0|0,0,2]=4 11040 B14R0.337 CC=CCCCOCCCCC(=O)OC 34a_100020645299_100000204269 [0,2,0,0,0,0|0,0,2]=4 11041 B14R0.337 CC=CCOCCCCCCC(=O)OC 34a_100009863599_100000070051 [0,2,0,0,0,0|0,0,2]=4 11042 B14R0.337 CC=CCOCCCCCCC(=O)OC 7a_100009863599_100000070051 [0,2,0,0,0,0|0,0,2]=4 11043 B14R0.337 CC=CCSCCCCCCC(=O)OC 62a_100000070051_100009815986 [0,2,0,0,0,0|0,0,2]=4 11044 B14R0.337 CC=CCSCCCCCCC(=O)OC 62a_100009815986_100000070051 [0,2,0,0,0,0|0,0,2]=4 11045 B14R0.337 CCC#CCCOCCCCC(=O)OC 34a_100000036655_100000204269 [0,2,0,0,0,0|0,0,2]=4 11046 B14R0.337 CCC#CCCOCCCCC(=O)OC 7a_100000036655_100000204269 [0,2,0,0,0,0|0,0,2]=4 11047 B14R0.337 CCC#CCOCCCCCC(=O)OC 34a_100000032950_100009816466 [0,2,0,0,0,0|0,0,2]=4 11048 B14R0.337 CCC#CCOCCCCCC(=O)OC 34a_100000074720_100009813939 [0,2,0,0,0,0|0,0,2]=4 11049 B14R0.337 CCC#CCOCCCCCC(=O)OC 7a_100000074720_100009813939 [0,2,0,0,0,0|0,0,2]=4 11050 B14R0.337 CCC#CCSCCCCCC(=O)OC 62a_100009813939_100009816466 [0,2,0,0,0,0|0,0,2]=4 11051 B14R0.337 CCC#CCSCCCCCC(=O)OC 62a_100009816466_100009813939 [0,2,0,0,0,0|0,0,2]=4 11052 B14R0.337 CCC(=O)CCCCCCCCCCO 1458a_100000210414_100009813290 [0,2,0,0,0,0|1,0,0]=3 11053 B14R0.337 CCC(=O)COCCCCCCCCBr 7a_100009813846_100000747405 [0,2,0,0,0,0|2,0,0]=4 11054 B14R0.337 CCC(=O)COCCCCCCCCCl 7a_100000033203_100000747405 [0,2,0,0,0,0|2,0,0]=4 11055 B14R0.337 CCC(=O)COCCCCCCCCO 34a_100000725409_100000033203 [0,2,0,0,0,0|2,0,0]=4 11056 B14R0.337 CCC(=O)CSCCCCCCCCO 62a_100000033203_100000747405 [0,2,0,0,0,0|2,0,0]=4 11057 B14R0.337 CCC(=O)CSCCCCCCCCO 62a_100000747405_100000033203 [0,2,0,0,0,0|2,0,0]=4 11058 B14R0.337 CCC(=O)NCCCCCCCCCO 240690a_100000078944_100000210414 [0,2,0,0,0,0|2,0,0]=4 11059 B14R0.337 CCC/C=C/COCCCCC(=O)OC 34a_100016278788_100000204269 [0,2,0,0,0,0|0,0,2]=4 11060 B14R0.337 CCC/C=C/COCCCCC(=O)OC 7a_100016278788_100000204269 [0,2,0,0,0,0|0,0,2]=4 11061 B14R0.337 CCCC#CCCOCCCC(=O)OC 34a_100000042726_100000742333 [0,2,0,0,0,0|0,0,2]=4 11062 B14R0.337 CCCC#CCCOCCCC(=O)OC 7a_100000042726_100011218270 [0,2,0,0,0,0|0,0,2]=4 11063 B14R0.337 CCCC#CCOCCCCC(=O)OC 34a_100000034806_100000204269 [0,2,0,0,0,0|0,0,2]=4 11064 B14R0.337 CCCC#CCOCCCCC(=O)OC 7a_100000034806_100000204269 [0,2,0,0,0,0|0,0,2]=4 11065 B14R0.337 CCCC/C=C/COCCCC(=O)OC 34a_200016272032_100000742333 [0,2,0,0,0,0|0,0,2]=4 11066 B14R0.337 CCCC/C=C/COCCCC(=O)OC 7a_200016272032_100011218270 [0,2,0,0,0,0|0,0,2]=4 11067 B14R0.337 CCCC/C=C\CCOCCC(=O)OC 34a_200016286491_100000742370 [0,2,0,0,0,0|0,0,2]=4 11068 B14R0.337 CCCC/C=C\CCOCCC(=O)OC 7a_200016286491_100000204255 [0,2,0,0,0,0|0,0,2]=4 11069 B14R0.337 CCCCC#CCCCSCC(=O)OC 62a_100000747449_200000047210 [0,2,0,0,0,0|0,0,2]=4 11070 B14R0.337 CCCCC#CCCCSCC(=O)OC 62a_200000047210_100000747449 [0,2,0,0,0,0|0,0,2]=4 11071 B14R0.337 CCCCC#CCCOCCC(=O)OC 34a_100000037610_100000742370 [0,2,0,0,0,0|0,0,2]=4 11072 B14R0.337 CCCCC#CCCOCCC(=O)OC 7a_100000037610_100000204255 [0,2,0,0,0,0|0,0,2]=4 11073 B14R0.337 CCCCC#CCOCCCC(=O)OC 34a_200000034558_100000742333 [0,2,0,0,0,0|0,0,2]=4 11074 B14R0.337 CCCCC#CCOCCCC(=O)OC 7a_200000034558_100011218270 [0,2,0,0,0,0|0,0,2]=4 11075 B14R0.337 CCCCC/C=C/COCCC(=O)OC 34a_100016258190_100000742370 [0,2,0,0,0,0|0,0,2]=4 11076 B14R0.337 CCCCC/C=C/COCCC(=O)OC 7a_100016258190_100000204255 [0,2,0,0,0,0|0,0,2]=4 11077 B14R0.337 CCCCC/C=C\CCOCC(=O)OC 34a_100016277358_100000747449 [0,2,0,0,0,0|0,0,2]=4 11078 B14R0.337 CCCCC/C=C\CCOCC(=O)OC 7a_100016277358_100000747449 [0,2,0,0,0,0|0,0,2]=4 11079 B14R0.337 CCCCCC#CCCOCC(=O)OC 34a_200000042877_100000747449 [0,2,0,0,0,0|0,0,2]=4 11080 B14R0.337 CCCCCC#CCCOCC(=O)OC 7a_200000042877_100000747449 [0,2,0,0,0,0|0,0,2]=4 11081 B14R0.337 CCCCCC#CCOCCC(=O)OC 34a_200000033628_100000742370 [0,2,0,0,0,0|0,0,2]=4 11082 B14R0.337 CCCCCC#CCOCCC(=O)OC 7a_200000033628_100000204255 [0,2,0,0,0,0|0,0,2]=4 11083 B14R0.337 CCCCCC#CCSCCC(=O)OC 62a_100000204255_100009816472 [0,2,0,0,0,0|0,0,2]=4 11084 B14R0.337 CCCCCC#CCSCCC(=O)OC 62a_100009816472_100000204255 [0,2,0,0,0,0|0,0,2]=4 11085 B14R0.337 CCCCCC/C=C/COCC(=O)OC 34a_200016276170_100000747449 [0,2,0,0,0,0|0,0,2]=4 11086 B14R0.337 CCCCCC/C=C/COCC(=O)OC 7a_200016276170_100000747449 [0,2,0,0,0,0|0,0,2]=4 11087 B14R0.337 CCCCCCC#CCOCC(=O)OC 34a_200000037284_100000747449 [0,2,0,0,0,0|0,0,2]=4 11088 B14R0.337 CCCCCCC#CCOCC(=O)OC 7a_200000037284_100000747449 [0,2,0,0,0,0|0,0,2]=4 11089 B14R0.337 CCCCCCCCCC=CC(=O)CC 1458a_200015352897_100000210202 [0,2,0,0,0,0|1,0,1]=4 11090 B14R0.337 CCCCCCCCCC=CC(=O)CF 1458a_200015352897_100015361967 [0,2,0,0,0,0|1,0,1]=4 11091 B14R0.337 CCCCCCCCCC=CC(=O)NC 11a_106832991635_200015352897 [0,2,0,0,0,0|1,0,1]=4 11092 B14R0.337 CCCCCCCCCC=CC(=O)NC 1626a_100102657272_200015352897 [0,2,0,0,0,0|1,0,1]=4 11093 B14R0.337 CCCCCCCCCC=CC(=O)NC 240690a_100102657272_200015352897 [0,2,0,0,0,0|1,0,1]=4 11094 B14R0.337 CCCCCCCCCCCC(=O)CC 1458a_100000210414_100011215454 [0,2,0,0,0,0|1,0,0]=3 11095 B14R0.337 CCCCCCCCCCCC(=O)CC 1458a_100000210736_100000210202 [0,2,0,0,0,0|1,0,0]=3 11096 B14R0.337 CCCCCCCCCCCC(=O)CF 1458a_100000210736_100015361967 [0,2,0,0,0,0|1,0,0]=3 11097 B14R0.337 CCCCCCCCCCCC(=O)CO 1458a_100000210174_100011215454 [0,2,0,0,0,0|0,0,0]=2 11098 B14R0.337 CCCCCCCCCCCC(=O)NC 11a_106832991635_100000210736 [0,2,0,0,0,0|1,0,0]=3 11099 B14R0.337 CCCCCCCCCCCC(=O)NC 1626a_100102657272_100000210736 [0,2,0,0,0,0|1,0,0]=3 11100 B14R0.337 CCCCCCCCCCCC(=O)NC 240690a_100102657272_100000210736 [0,2,0,0,0,0|1,0,0]=3 11101 B14R0.337 CCCCCCCCCCCC(C)OC 34a_100011217895_200000210301 [0,2,0,0,0,0|1,0,1]=4 11102 B14R0.337 CCCCCCCCCCCC(C)OC 7a_100011217895_200000210301 [0,2,0,0,0,0|1,0,1]=4 11103 B14R0.337 CCCCCCCCCCCC(C)O[13CH3] 34a_100011217895_200025704644 [0,2,0,0,0,0|1,0,1]=4 11104 B14R0.337 CCCCCCCCCCCC(C)O[13CH3] 7a_100011217895_200025704644 [0,2,0,0,0,0|1,0,1]=4 11105 B14R0.337 CCCCCCCCCCNC(=O)CC 11a_100000684558_100000210414 [0,2,0,0,0,0|1,0,0]=3 11106 B14R0.337 CCCCCCCCCCNC(=O)CC 1626a_100000684558_100000210414 [0,2,0,0,0,0|1,0,0]=3 11107 B14R0.337 CCCCCCCCCCNC(=O)CC 240690a_100000684558_100000210414 [0,2,0,0,0,0|1,0,0]=3 11108 B14R0.337 CCCCCCCCCCNC(=O)CC 527a_100000684558_100000210414 [0,2,0,0,0,0|1,0,0]=3 11109 B14R0.337 CCCCCCCCCCNC(=O)CO 240690a_100000684558_100000210174 [0,2,0,0,0,0|0,0,0]=2 11110 B14R0.337 CCCCCCCCCCNC(=O)CO 527a_100000684558_100000210174 [0,2,0,0,0,0|0,0,0]=2 11111 B14R0.337 CCCCCCCCCCNC(=O)NC 2708a_100000684558_106832991635 [0,2,0,0,0,0|1,0,0]=3 11112 B14R0.337 CCCCCCCCCCNC(=O)NC 2708a_100102657272_100000684558 [0,2,0,0,0,0|1,0,0]=3 11113 B14R0.337 CCCCCCCCCCNC(=O)NC 273464a_100000684558_100102657272 [0,2,0,0,0,0|1,0,0]=3 11114 B14R0.337 CCCCCCCCCCNC(=O)NC 273464a_100102657272_100000684558 [0,2,0,0,0,0|1,0,0]=3 11115 B14R0.337 CCCCCCCCCCNC(=O)NC 512a_100000684558_100102657272 [0,2,0,0,0,0|1,0,0]=3 11116 B14R0.337 CCCCCCCCCCNC(=O)NC 512a_106832991638_100000684558 [0,2,0,0,0,0|1,0,0]=3 11117 B14R0.337 CCCCCCCCCCNC(C)CO 2230a_100000684558_100012180447 [0,2,0,0,0,0|1,0,1]=4 11118 B14R0.337 CCCCCCCCCCNC(C)CO 34a_100000684558_100012180447 [0,2,0,0,0,0|1,0,1]=4 11119 B14R0.337 CCCCCCCCCCN[C@H](C)CO 2230a_100000737577_100000210320 [0,2,0,0,0,0|1,0,1]=4 11120 B14R0.337 CCCCCCCCCCOC(C)CO 34a_100000210711_100012180447 [0,2,0,0,0,0|1,0,1]=4 11121 B14R0.337 CCCCCCCCCCOC(C)CO 7a_100000210711_100012180447 [0,2,0,0,0,0|1,0,1]=4 11122 B14R0.337 CCCCCCCCCCSC(C)CO 62a_100012180447_100000210320 [0,2,0,0,0,0|1,0,1]=4 11123 B14R0.337 CCCCCCCCCCSC(C)OC 62a_100009879195_100000210320 [0,2,0,0,0,0|1,0,1]=4 11124 B14R0.337 CCCCCCCCCCS[C@H](C)CO 62a_100016084084_100000210320 [0,2,0,0,0,0|1,0,1]=4 11125 B14R0.337 CCCCCCCCCNCC(=O)NC 2230a_100000212291_100000183359 [0,2,0,0,0,0|1,0,0]=3 11126 B14R0.337 CCCCCCCCCNCC(=O)NC 2230a_100000693194_100011214924 [0,2,0,0,0,0|1,0,0]=3 11127 B14R0.337 CCCCCCCCCNCC(=O)NC 34a_100000212291_100000183359 [0,2,0,0,0,0|1,0,0]=3 11128 B14R0.337 CCCCCCCCCNCC(=O)OC 2230a_100000212291_100000747449 [0,2,0,0,0,0|0,0,0]=2 11129 B14R0.337 CCCCCCCCCNCC(=O)OC 34a_100000212291_100000747449 [0,2,0,0,0,0|0,0,0]=2 11130 B14R0.337 CCCCCCCCCNCC(C)CO 34a_100000744482_100011214924 [0,2,0,0,0,0|1,0,1]=4 11131 B14R0.337 CCCCCCCCCNCC(O)CC 2230a_100000212291_100011218378 [0,2,0,0,0,0|1,0,1]=4 11132 B14R0.337 CCCCCCCCCNCC(O)CC 2230a_100011218483_100011214924 [0,2,0,0,0,0|1,0,1]=4 11133 B14R0.337 CCCCCCCCCNCC(O)CC 34a_100000212291_100011218378 [0,2,0,0,0,0|1,0,1]=4 11134 B14R0.337 CCCCCCCCCNCC(O)CO 2230a_100000212291_100011219619 [0,2,0,0,0,0|0,0,2]=4 11135 B14R0.337 CCCCCCCCCNCC(O)CO 34a_100000212291_100011219619 [0,2,0,0,0,0|0,0,2]=4 11136 B14R0.337 CCCCCCCCCNC[C@@H](C)CO 2230a_100000212291_100000059175 [0,2,0,0,0,0|1,0,1]=4 11137 B14R0.337 CCCCCCCCCNC[C@@H](C)CO 34a_100000212291_100000059175 [0,2,0,0,0,0|1,0,1]=4 11138 B14R0.337 CCCCCCCCCNC[C@@H](C)OC 2230a_100020591295_100011214924 [0,2,0,0,0,0|1,0,1]=4 11139 B14R0.337 CCCCCCCCCNC[C@@H](F)CO 34a_100015665980_100011214924 [0,2,0,0,0,0|1,0,1]=4 11140 B14R0.337 CCCCCCCCCNC[C@@H](O)CF 2230a_100000212291_100015614560 [0,2,0,0,0,0|1,0,1]=4 11141 B14R0.337 CCCCCCCCCNC[C@@H](O)CF 34a_100000212291_100015614560 [0,2,0,0,0,0|1,0,1]=4 11142 B14R0.337 CCCCCCCCCNC[C@@H](O)CO 2230a_100000212291_100009815848 [0,2,0,0,0,0|0,0,2]=4 11143 B14R0.337 CCCCCCCCCNC[C@@H](O)CO 34a_100000212291_100009815848 [0,2,0,0,0,0|0,0,2]=4 11144 B14R0.337 CCCCCCCCCNC[C@H](O)CO 2230a_100020644852_100011214924 [0,2,0,0,0,0|0,0,2]=4 11145 B14R0.337 CCCCCCCCCOCC(=O)CC 34a_100000725409_100011214924 [0,2,0,0,0,0|1,0,0]=3 11146 B14R0.337 CCCCCCCCCOCC(=O)CC 7a_100000210712_100000747405 [0,2,0,0,0,0|1,0,0]=3 11147 B14R0.337 CCCCCCCCCOCC(=O)NC 34a_100000210712_100000183359 [0,2,0,0,0,0|1,0,0]=3 11148 B14R0.337 CCCCCCCCCOCC(=O)NC 34a_100000750040_100011214924 [0,2,0,0,0,0|1,0,0]=3 11149 B14R0.337 CCCCCCCCCOCC(=O)NC 7a_100000210712_100000183359 [0,2,0,0,0,0|1,0,0]=3 11150 B14R0.337 CCCCCCCCCOCC(=O)OC 34a_100000210712_100000747449 [0,2,0,0,0,0|0,0,0]=2 11151 B14R0.337 CCCCCCCCCOCC(=O)OC 7a_100000210712_100000747449 [0,2,0,0,0,0|0,0,0]=2 11152 B14R0.337 CCCCCCCCCOCC(C)OC 34a_100000690652_100011214924 [0,2,0,0,0,0|1,0,1]=4 11153 B14R0.337 CCCCCCCCCOCC(O)CC 34a_100000210712_100011218378 [0,2,0,0,0,0|1,0,1]=4 11154 B14R0.337 CCCCCCCCCOCC(O)CC 7a_100000210712_100011218378 [0,2,0,0,0,0|1,0,1]=4 11155 B14R0.337 CCCCCCCCCOCC(O)CO 34a_100000210712_100011219619 [0,2,0,0,0,0|0,0,2]=4 11156 B14R0.337 CCCCCCCCCOCC(O)CO 7a_100000210712_100011219619 [0,2,0,0,0,0|0,0,2]=4 11157 B14R0.337 CCCCCCCCCOC[C@@H](C)CO 34a_100000210712_100000059175 [0,2,0,0,0,0|1,0,1]=4 11158 B14R0.337 CCCCCCCCCOC[C@@H](C)CO 7a_100000210712_100000059175 [0,2,0,0,0,0|1,0,1]=4 11159 B14R0.337 CCCCCCCCCOC[C@@H](O)CF 34a_100000210712_100015614560 [0,2,0,0,0,0|1,0,1]=4 11160 B14R0.337 CCCCCCCCCOC[C@@H](O)CF 7a_100000210712_100015614560 [0,2,0,0,0,0|1,0,1]=4 11161 B14R0.337 CCCCCCCCCOC[C@@H](O)CO 34a_100000210712_100009815848 [0,2,0,0,0,0|0,0,2]=4 11162 B14R0.337 CCCCCCCCCOC[C@@H](O)CO 7a_100000210712_100009815848 [0,2,0,0,0,0|0,0,2]=4 11163 B14R0.337 CCCCCCCCCSCC(=O)CC 62a_100000747405_100000210670 [0,2,0,0,0,0|1,0,0]=3 11164 B14R0.337 CCCCCCCCCSCC(=O)NC 62a_100000183359_100000210670 [0,2,0,0,0,0|1,0,0]=3 11165 B14R0.337 CCCCCCCCCSCC(=O)OC 62a_100000747449_100000210670 [0,2,0,0,0,0|0,0,0]=2 11166 B14R0.337 CCCCCCCCCSCC(O)CC 62a_100011218378_100000210670 [0,2,0,0,0,0|1,0,1]=4 11167 B14R0.337 CCCCCCCCCSCC(O)CO 62a_100011219619_100000210670 [0,2,0,0,0,0|0,0,2]=4 11168 B14R0.337 CCCCCCCCCSC[C@@H](C)CO 62a_100000059175_100000210670 [0,2,0,0,0,0|1,0,1]=4 11169 B14R0.337 CCCCCCCCCSC[C@@H](O)CF 62a_100015614560_100000210670 [0,2,0,0,0,0|1,0,1]=4 11170 B14R0.337 CCCCCCCCCSC[C@@H](O)CO 62a_100009815848_100000210670 [0,2,0,0,0,0|0,0,2]=4 11171 B14R0.337 CCCCCCCCNCCC(=O)NC 2230a_100000229939_100000737683 [0,2,0,0,0,0|1,0,0]=3 11172 B14R0.337 CCCCCCCCNCCC(=O)NC 2230a_100000738227_100000210759 [0,2,0,0,0,0|1,0,0]=3 11173 B14R0.337 CCCCCCCCNCCC(=O)NC 34a_100000229939_100012179268 [0,2,0,0,0,0|1,0,0]=3 11174 B14R0.337 CCCCCCCCNCCC(=O)NC 34a_100000738227_100000210759 [0,2,0,0,0,0|1,0,0]=3 11175 B14R0.337 CCCCCCCCNCCC(=O)OC 2230a_100000229939_100000204255 [0,2,0,0,0,0|0,0,0]=2 11176 B14R0.337 CCCCCCCCNCCC(=O)OC 34a_100000229939_100000742370 [0,2,0,0,0,0|0,0,0]=2 11177 B14R0.337 CCCCCCCCNCCC(C)CO 2230a_106354213184_100000210759 [0,2,0,0,0,0|1,0,1]=4 11178 B14R0.337 CCCCCCCCNCCC(C)CO 34a_106354213184_100000210759 [0,2,0,0,0,0|1,0,1]=4 11179 B14R0.337 CCCCCCCCOCCC(=NO)N 34a_100000749954_100000210759 [0,2,0,0,0,0|1,0,0]=3 11180 B14R0.337 CCCCCCCCOCCC(=O)NC 34a_100000210232_100012179268 [0,2,0,0,0,0|1,0,0]=3 11181 B14R0.337 CCCCCCCCOCCC(=O)NC 34a_100000754576_100000210759 [0,2,0,0,0,0|1,0,0]=3 11182 B14R0.337 CCCCCCCCOCCC(=O)NC 7a_100000210232_100000737683 [0,2,0,0,0,0|1,0,0]=3 11183 B14R0.337 CCCCCCCCOCCC(=O)OC 34a_100000210232_100000742370 [0,2,0,0,0,0|0,0,0]=2 11184 B14R0.337 CCCCCCCCOCCC(=O)OC 7a_100000210232_100000204255 [0,2,0,0,0,0|0,0,0]=2 11185 B14R0.337 CCCCCCCCOCCC(C)OC 7a_100000764861_100000210759 [0,2,0,0,0,0|1,0,1]=4 11186 B14R0.337 CCCCCCCCSCCC(=O)NC 62a_100000210759_100000737683 [0,2,0,0,0,0|1,0,0]=3 11187 B14R0.337 CCCCCCCCSCCC(=O)NC 62a_100000737683_100000210317 [0,2,0,0,0,0|1,0,0]=3 11188 B14R0.337 CCCCCCCCSCCC(=O)OC 62a_100000204255_100000210317 [0,2,0,0,0,0|0,0,0]=2 11189 B14R0.337 CCCCCCCCSCCC(=O)OC 62a_100000210759_100000204255 [0,2,0,0,0,0|0,0,0]=2 11190 B14R0.337 CCCCCCCCSCOC(=O)OC 62a_100000210759_100000139417 [0,2,0,0,0,0|1,0,0]=3 11191 B14R0.337 CCCCCCCNC/C=C/C(=O)OC 2230a_100000229938_100000742655 [0,2,0,0,0,0|0,0,2]=4 11192 B14R0.337 CCCCCCCNCCCC(=O)NC 2230a_100000229938_100000741757 [0,2,0,0,0,0|1,0,0]=3 11193 B14R0.337 CCCCCCCNCCCC(=O)NC 2230a_100000740002_100000210681 [0,2,0,0,0,0|1,0,0]=3 11194 B14R0.337 CCCCCCCNCCCC(=O)NC 34a_100000740002_100000210614 [0,2,0,0,0,0|1,0,0]=3 11195 B14R0.337 CCCCCCCNCCCC(=O)OC 2230a_100000229938_100011218270 [0,2,0,0,0,0|0,0,0]=2 11196 B14R0.337 CCCCCCCNCCNC(=O)CC 34a_100132302217_100000210614 [0,2,0,0,0,0|2,0,0]=4 11197 B14R0.337 CCCCCCCNCCNC(=O)NC 34a_100015205895_100000210614 [0,2,0,0,0,0|2,0,0]=4 11198 B14R0.337 CCCCCCCOC/C=C/C(=O)OC 34a_100000210272_100000742655 [0,2,0,0,0,0|0,0,2]=4 11199 B14R0.337 CCCCCCCOC/C=C/C(=O)OC 7a_100000210272_100000742655 [0,2,0,0,0,0|0,0,2]=4 11200 B14R0.337 CCCCCCCOCCCC(=O)NC 34a_100000210272_100000741757 [0,2,0,0,0,0|1,0,0]=3 11201 B14R0.337 CCCCCCCOCCCC(=O)NC 7a_100000210272_100000741757 [0,2,0,0,0,0|1,0,0]=3 11202 B14R0.337 CCCCCCCOCCCC(=O)NN 34a_100000211488_100000210614 [0,2,0,0,0,0|1,0,0]=3 11203 B14R0.337 CCCCCCCOCCCC(=O)OC 34a_100000210272_100000742333 [0,2,0,0,0,0|0,0,0]=2 11204 B14R0.337 CCCCCCCOCCCC(=O)OC 7a_100000210272_100011218270 [0,2,0,0,0,0|0,0,0]=2 11205 B14R0.337 CCCCCCCOCCNC(=O)CC 34a_200000158885_100000210614 [0,2,0,0,0,0|2,0,0]=4 11206 B14R0.337 CCCCCCCOCCNC(=O)CC 7a_200000158885_100000210614 [0,2,0,0,0,0|2,0,0]=4 11207 B14R0.337 CCCCCCCOCCNC(=O)OC 34a_100000757965_100000210614 [0,2,0,0,0,0|1,0,0]=3 11208 B14R0.337 CCCCCCCOCCOC(=O)CC 7a_200000031056_100000210614 [0,2,0,0,0,0|2,0,0]=4 11209 B14R0.337 CCCCCCCOCCOC(=O)NC 34a_100000210272_200011997002 [0,2,0,0,0,0|2,0,0]=4 11210 B14R0.337 CCCCCCCOCCOC(=O)NC 7a_100000210272_200011997002 [0,2,0,0,0,0|2,0,0]=4 11211 B14R0.337 CCCCCCCOCCOC(=O)OC 34a_100010262106_100000210614 [0,2,0,0,0,0|1,0,0]=3 11212 B14R0.337 CCCCCCCSC/C=C/C(=O)OC 62a_100000210614_100000742655 [0,2,0,0,0,0|0,0,2]=4 11213 B14R0.337 CCCCCCCSC/C=C/C(=O)OC 62a_100000742655_100000210316 [0,2,0,0,0,0|0,0,2]=4 11214 B14R0.337 CCCCCCCSCCCC(=O)NC 62a_100000210614_100000741757 [0,2,0,0,0,0|1,0,0]=3 11215 B14R0.337 CCCCCCCSCCCC(=O)NC 62a_100000741757_100000210316 [0,2,0,0,0,0|1,0,0]=3 11216 B14R0.337 CCCCCCCSCCCC(=O)OC 62a_100000210614_100011218270 [0,2,0,0,0,0|0,0,0]=2 11217 B14R0.337 CCCCCCCSCCCC(=O)OC 62a_100011218270_100000210316 [0,2,0,0,0,0|0,0,0]=2 11218 B14R0.337 CCCCCCCSCCOC(=O)NC 62a_100000210614_200011997002 [0,2,0,0,0,0|2,0,0]=4 11219 B14R0.337 CCCCCCCSCCOC(=O)NC 62a_200011997002_100000210316 [0,2,0,0,0,0|2,0,0]=4 11220 B14R0.337 CCCCCCNCCCCC(=O)OC 2230a_100000210581_100000204269 [0,2,0,0,0,0|0,0,0]=2 11221 B14R0.337 CCCCCCNCCOCC(=O)OC 2230a_100000210581_100000090808 [0,2,0,0,0,0|1,0,0]=3 11222 B14R0.337 CCCCCCOCCCCC(=O)OC 34a_100000059025_100000210314 [0,2,0,0,0,0|0,0,0]=2 11223 B14R0.337 CCCCCCOCCCCC(=O)OC 34a_100000210259_100000204269 [0,2,0,0,0,0|0,0,0]=2 11224 B14R0.337 CCCCCCOCCCCC(=O)OC 7a_100000059025_100000210314 [0,2,0,0,0,0|0,0,0]=2 11225 B14R0.337 CCCCCCOCCCCC(=O)OC 7a_100000210259_100000204269 [0,2,0,0,0,0|0,0,0]=2 11226 B14R0.337 CCCCCCOCCOCC(=O)CC 7a_100000691444_100000747405 [0,2,0,0,0,0|2,0,0]=4 11227 B14R0.337 CCCCCCOCCOCC(=O)NC 34a_100000691444_100000183359 [0,2,0,0,0,0|2,0,0]=4 11228 B14R0.337 CCCCCCOCCOCC(=O)NC 7a_100000691444_100000183359 [0,2,0,0,0,0|2,0,0]=4 11229 B14R0.337 CCCCCCOCCOCC(=O)OC 34a_100000210259_100000090808 [0,2,0,0,0,0|1,0,0]=3 11230 B14R0.337 CCCCCCOCCOCC(=O)OC 34a_100000691444_100000747449 [0,2,0,0,0,0|1,0,0]=3 11231 B14R0.337 CCCCCCOCCOCC(=O)OC 7a_100000210259_100000090808 [0,2,0,0,0,0|1,0,0]=3 11232 B14R0.337 CCCCCCOCCOCC(=O)OC 7a_100000691444_100000747449 [0,2,0,0,0,0|1,0,0]=3 11233 B14R0.337 CCCCCCSCCCCC(=O)OC 62a_100000204269_100000210757 [0,2,0,0,0,0|0,0,0]=2 11234 B14R0.337 CCCCCCSCCCCC(=O)OC 62a_100000210314_100000204269 [0,2,0,0,0,0|0,0,0]=2 11235 B14R0.337 CCCCCCSCCOCC(=O)OC 62a_100000090808_100000210757 [0,2,0,0,0,0|1,0,0]=3 11236 B14R0.337 CCCCCCSCCOCC(=O)OC 62a_100000210314_100000090808 [0,2,0,0,0,0|1,0,0]=3 11237 B14R0.337 CCCCCNCCCCCC(=O)OC 2230a_100000209983_100009816466 [0,2,0,0,0,0|0,0,0]=2 11238 B14R0.337 CCCCCNCCOCCC(=O)NC 34a_100000224656_100012179268 [0,2,0,0,0,0|2,0,0]=4 11239 B14R0.337 CCCCCNCCOCCC(=O)OC 34a_100000224656_100000742370 [0,2,0,0,0,0|1,0,0]=3 11240 B14R0.337 CCCCCNN=CCCCC(=O)OC 4a_100000694160_100000094087 [0,2,0,0,0,0|1,0,1]=4 11241 B14R0.337 CCCCCOCCCCCC(=O)OC 34a_100000074720_100000718602 [0,2,0,0,0,0|0,0,0]=2 11242 B14R0.337 CCCCCOCCCCCC(=O)OC 34a_100000210253_100009816466 [0,2,0,0,0,0|0,0,0]=2 11243 B14R0.337 CCCCCOCCCCCC(=O)OC 7a_100000074720_100000210326 [0,2,0,0,0,0|0,0,0]=2 11244 B14R0.337 CCCCCOCCCCCC(=O)OC 7a_100000210253_100009816466 [0,2,0,0,0,0|0,0,0]=2 11245 B14R0.337 CCCCCOCCOCCC(=O)NC 34a_100011215259_100012179268 [0,2,0,0,0,0|2,0,0]=4 11246 B14R0.337 CCCCCOCCOCCC(=O)NC 7a_100011215259_100000737683 [0,2,0,0,0,0|2,0,0]=4 11247 B14R0.337 CCCCCOCCOCCC(=O)OC 34a_100011215259_100000742370 [0,2,0,0,0,0|1,0,0]=3 11248 B14R0.337 CCCCCOCCOCCC(=O)OC 7a_100011215259_100000204255 [0,2,0,0,0,0|1,0,0]=3 11249 B14R0.337 CCCCCSCCCCCC(=O)OC 62a_100000210326_100009816466 [0,2,0,0,0,0|0,0,0]=2 11250 B14R0.337 CCCCCSCCCCCC(=O)OC 62a_100009816466_100000210326 [0,2,0,0,0,0|0,0,0]=2 11251 B14R0.337 CCCCNCCCCCCC(=O)OC 2230a_100000102301_100009815986 [0,2,0,0,0,0|0,0,0]=2 11252 B14R0.337 CCCCNCCCCCCC(=O)OC 7a_106832991798_100009815986 [0,2,0,0,0,0|0,0,0]=2 11253 B14R0.337 CCCCNCCCCOCC(=O)NC 34a_200011216965_100000183359 [0,2,0,0,0,0|2,0,0]=4 11254 B14R0.337 CCCCNCCCCOCC(=O)OC 34a_200011216965_100000747449 [0,2,0,0,0,0|1,0,0]=3 11255 B14R0.337 CCCCNN=CCCCCC(=O)OC 4a_100025702795_100000052768 [0,2,0,0,0,0|1,0,1]=4 11256 B14R0.337 CCCCOCCCCCCC(=O)OC 34a_100000210227_100009815986 [0,2,0,0,0,0|0,0,0]=2 11257 B14R0.337 CCCCOCCCCCCC(=O)OC 34a_100009863599_100000210210 [0,2,0,0,0,0|0,0,0]=2 11258 B14R0.337 CCCCOCCCCCCC(=O)OC 7a_100000210227_100009815986 [0,2,0,0,0,0|0,0,0]=2 11259 B14R0.337 CCCCOCCCCCCC(=O)OC 7a_100009863599_100000210211 [0,2,0,0,0,0|0,0,0]=2 11260 B14R0.337 CCCCOCCCCOCC(=O)CC 7a_200000760531_100000747405 [0,2,0,0,0,0|2,0,0]=4 11261 B14R0.337 CCCCOCCCCOCC(=O)NC 34a_200000760531_100000183359 [0,2,0,0,0,0|2,0,0]=4 11262 B14R0.337 CCCCOCCCCOCC(=O)NC 7a_200000760531_100000183359 [0,2,0,0,0,0|2,0,0]=4 11263 B14R0.337 CCCCOCCCCOCC(=O)OC 34a_200000760531_100000747449 [0,2,0,0,0,0|1,0,0]=3 11264 B14R0.337 CCCCOCCCCOCC(=O)OC 7a_200000760531_100000747449 [0,2,0,0,0,0|1,0,0]=3 11265 B14R0.337 CCCCOCCCNCCC(=O)NC 2230a_200000211371_100000737683 [0,2,0,0,0,0|2,0,0]=4 11266 B14R0.337 CCCCOCCCNCCC(=O)NC 34a_200000211371_100012179268 [0,2,0,0,0,0|2,0,0]=4 11267 B14R0.337 CCCCOCCCNCCC(=O)OC 2230a_200000211371_100000204255 [0,2,0,0,0,0|1,0,0]=3 11268 B14R0.337 CCCCOCCCNCCC(=O)OC 34a_200000211371_100000742370 [0,2,0,0,0,0|1,0,0]=3 11269 B14R0.337 CCCCOCCCOCCC(=O)NC 34a_200011215613_100012179268 [0,2,0,0,0,0|2,0,0]=4 11270 B14R0.337 CCCCOCCCOCCC(=O)NC 7a_200011215613_100000737683 [0,2,0,0,0,0|2,0,0]=4 11271 B14R0.337 CCCCOCCCOCCC(=O)OC 34a_200011215613_100000742370 [0,2,0,0,0,0|1,0,0]=3 11272 B14R0.337 CCCCOCCCOCCC(=O)OC 7a_200011215613_100000204255 [0,2,0,0,0,0|1,0,0]=3 11273 B14R0.337 CCCCOCCNCCCC(=O)NC 2230a_100000740002_100000743108 [0,2,0,0,0,0|2,0,0]=4 11274 B14R0.337 CCCCOCCNCCCC(=O)NC 34a_100000740002_100000743108 [0,2,0,0,0,0|2,0,0]=4 11275 B14R0.337 CCCCOCCOCCCC(=O)NC 34a_100000210238_100000741757 [0,2,0,0,0,0|2,0,0]=4 11276 B14R0.337 CCCCOCCOCCCC(=O)NC 7a_100000210238_100000741757 [0,2,0,0,0,0|2,0,0]=4 11277 B14R0.337 CCCCOCCOCCCC(=O)NN 34a_100000211488_100000743108 [0,2,0,0,0,0|2,0,0]=4 11278 B14R0.337 CCCCOCCOCCCC(=O)OC 34a_100000210238_100000742333 [0,2,0,0,0,0|1,0,0]=3 11279 B14R0.337 CCCCOCCOCCCC(=O)OC 7a_100000210238_100011218270 [0,2,0,0,0,0|1,0,0]=3 11280 B14R0.337 CCCCOCCOCCNC(=O)OC 34a_100000757965_100000743108 [0,2,0,0,0,0|2,0,0]=4 11281 B14R0.337 CCCCOCCOCCOC(=O)OC 34a_100010262106_100000743108 [0,2,0,0,0,0|2,0,0]=4 11282 B14R0.337 CCCCOCCSCCCC(=O)NC 62a_100000741757_100000743108 [0,2,0,0,0,0|2,0,0]=4 11283 B14R0.337 CCCCOCCSCCCC(=O)NC 62a_100000743108_100000741757 [0,2,0,0,0,0|2,0,0]=4 11284 B14R0.337 CCCCOCCSCCCC(=O)OC 62a_100000743108_100011218270 [0,2,0,0,0,0|1,0,0]=3 11285 B14R0.337 CCCCOCCSCCCC(=O)OC 62a_100011218270_100000743108 [0,2,0,0,0,0|1,0,0]=3 11286 B14R0.337 CCCCOCOCCCCC(=O)OC 34a_100000059025_100011995733 [0,2,0,0,0,0|1,0,0]=3 11287 B14R0.337 CCCCOCSCCCCC(=O)OC 62a_100000204269_100011995733 [0,2,0,0,0,0|1,0,0]=3 11288 B14R0.337 CCCCOCSCCCCC(=O)OC 62a_100011995733_100000204269 [0,2,0,0,0,0|1,0,0]=3 11289 B14R0.337 CCCCOCSCCOCC(=O)OC 62a_100000090808_100011995733 [0,2,0,0,0,0|2,0,0]=4 11290 B14R0.337 CCCCOCSCCOCC(=O)OC 62a_100011995733_100000090808 [0,2,0,0,0,0|2,0,0]=4 11291 B14R0.337 CCCCSCCCCCCC(=O)OC 62a_100000210211_100009815986 [0,2,0,0,0,0|0,0,0]=2 11292 B14R0.337 CCCCSCCCCCCC(=O)OC 62a_100009815986_100000210210 [0,2,0,0,0,0|0,0,0]=2 11293 B14R0.337 CCCCSCCNCCCC(=O)NC 2230a_100025743550_100000741757 [0,2,0,0,0,0|2,0,0]=4 11294 B14R0.337 CCCCSCCNCCCC(=O)OC 2230a_100025743550_100011218270 [0,2,0,0,0,0|1,0,0]=3 11295 B14R0.337 CCCCSCCOCCCC(=O)NC 34a_200000230436_100000741757 [0,2,0,0,0,0|2,0,0]=4 11296 B14R0.337 CCCCSCCOCCCC(=O)NC 7a_200000230436_100000741757 [0,2,0,0,0,0|2,0,0]=4 11297 B14R0.337 CCCCSCCOCCCC(=O)OC 34a_200000230436_100000742333 [0,2,0,0,0,0|1,0,0]=3 11298 B14R0.337 CCCCSCCOCCCC(=O)OC 7a_200000230436_100011218270 [0,2,0,0,0,0|1,0,0]=3 11299 B14R0.337 CCCOCCCCCCCC(=O)OC 34a_100000210258_100010004213 [0,2,0,0,0,0|0,0,0]=2 11300 B14R0.337 CCCOCCCCCCCC(=O)OC 34a_100011022521_100000210303 [0,2,0,0,0,0|0,0,0]=2 11301 B14R0.337 CCCOCCCCCCCC(=O)OC 7a_100011022521_100000210303 [0,2,0,0,0,0|0,0,0]=2 11302 B14R0.337 CCCOCCCNCCCC(=O)NC 2230a_100011217757_100000741757 [0,2,0,0,0,0|2,0,0]=4 11303 B14R0.337 CCCOCCCNCCCC(=O)NC 34a_100011217757_100000741757 [0,2,0,0,0,0|2,0,0]=4 11304 B14R0.337 CCCOCCCNCCCC(=O)OC 2230a_100011217757_100011218270 [0,2,0,0,0,0|1,0,0]=3 11305 B14R0.337 CCCOCCCNCCCC(=O)OC 34a_100011217757_100000742333 [0,2,0,0,0,0|1,0,0]=3 11306 B14R0.337 CCCOCCNCCCCC(=O)OC 2230a_100161115042_100000204269 [0,2,0,0,0,0|1,0,0]=3 11307 B14R0.337 CCCOCCNCCCCC(=O)OC 34a_100161115042_100000204269 [0,2,0,0,0,0|1,0,0]=3 11308 B14R0.337 CCCOCCNCCOCC(=O)OC 2230a_100161115042_100000090808 [0,2,0,0,0,0|2,0,0]=4 11309 B14R0.337 CCCOCCNCCOCC(=O)OC 34a_100161115042_100000090808 [0,2,0,0,0,0|2,0,0]=4 11310 B14R0.337 CCCOCCOCCCCC(=O)OC 34a_100000059025_100011215938 [0,2,0,0,0,0|1,0,0]=3 11311 B14R0.337 CCCOCCOCCCCC(=O)OC 34a_100000752267_100000204269 [0,2,0,0,0,0|1,0,0]=3 11312 B14R0.337 CCCOCCOCCCCC(=O)OC 7a_100000059025_100011215938 [0,2,0,0,0,0|1,0,0]=3 11313 B14R0.337 CCCOCCOCCCCC(=O)OC 7a_100000752267_100000204269 [0,2,0,0,0,0|1,0,0]=3 11314 B14R0.337 CCCOCCOCCNCC(=O)OC 2230a_200011904461_100000747449 [0,2,0,0,0,0|2,0,0]=4 11315 B14R0.337 CCCOCCOCCNCC(=O)OC 34a_200011904461_100000747449 [0,2,0,0,0,0|2,0,0]=4 11316 B14R0.337 CCCOCCOCCOCC(=O)OC 34a_100000752267_100000090808 [0,2,0,0,0,0|2,0,0]=4 11317 B14R0.337 CCCOCCOCCOCC(=O)OC 34a_100011023656_100000210303 [0,2,0,0,0,0|2,0,0]=4 11318 B14R0.337 CCCOCCOCCOCC(=O)OC 7a_100000752267_100000090808 [0,2,0,0,0,0|2,0,0]=4 11319 B14R0.337 CCCOCCOCCOCC(=O)OC 7a_100011023656_100000210303 [0,2,0,0,0,0|2,0,0]=4 11320 B14R0.337 CCCOCCSCCCCC(=O)OC 62a_100000204269_100011215938 [0,2,0,0,0,0|1,0,0]=3 11321 B14R0.337 CCCOCCSCCCCC(=O)OC 62a_100011215938_100000204269 [0,2,0,0,0,0|1,0,0]=3 11322 B14R0.337 CCCOCCSCCOCC(=O)OC 62a_100000090808_100011215938 [0,2,0,0,0,0|2,0,0]=4 11323 B14R0.337 CCCOCCSCCOCC(=O)OC 62a_100011215938_100000090808 [0,2,0,0,0,0|2,0,0]=4 11324 B14R0.337 CCCSCCCCCCCC(=O)OC 62a_100000210303_100010004213 [0,2,0,0,0,0|0,0,0]=2 11325 B14R0.337 CCCSCCCCCCCC(=O)OC 62a_100010004213_100000210303 [0,2,0,0,0,0|0,0,0]=2 11326 B14R0.337 CCCSCCNCCCCC(=O)OC 2230a_100020603323_100000204269 [0,2,0,0,0,0|1,0,0]=3 11327 B14R0.337 CCCSCCNCCOCC(=O)OC 2230a_100020603323_100000090808 [0,2,0,0,0,0|2,0,0]=4 11328 B14R0.337 CCCSCCOCCCCC(=O)OC 34a_200000230433_100000204269 [0,2,0,0,0,0|1,0,0]=3 11329 B14R0.337 CCCSCCOCCCCC(=O)OC 7a_200000230433_100000204269 [0,2,0,0,0,0|1,0,0]=3 11330 B14R0.337 CCCSCCOCCOCC(=O)OC 34a_200000230433_100000090808 [0,2,0,0,0,0|2,0,0]=4 11331 B14R0.337 CCCSCCOCCOCC(=O)OC 7a_200000230433_100000090808 [0,2,0,0,0,0|2,0,0]=4 11332 B14R0.337 CCNCCCCCCCCC(=O)OC 2230a_100015525214_100010282707 [0,2,0,0,0,0|0,0,0]=2 11333 B14R0.337 CCOCCCCCCCCC(=O)OC 34a_100000035544_100000210202 [0,2,0,0,0,0|0,0,0]=2 11334 B14R0.337 CCOCCCCCCCCC(=O)OC 34a_100121572206_100010282707 [0,2,0,0,0,0|0,0,0]=2 11335 B14R0.337 CCOCCCCCCCCC(=O)OC 7a_100000035544_100000210202 [0,2,0,0,0,0|0,0,0]=2 11336 B14R0.337 CCOCCCNCCCCC(=O)OC 2230a_100000210961_100000204269 [0,2,0,0,0,0|1,0,0]=3 11337 B14R0.337 CCOCCCNCCCCC(=O)OC 34a_100000210961_100000204269 [0,2,0,0,0,0|1,0,0]=3 11338 B14R0.337 CCOCCCNCCOCC(=O)OC 2230a_100000210961_100000090808 [0,2,0,0,0,0|2,0,0]=4 11339 B14R0.337 CCOCCCNCCOCC(=O)OC 34a_100000210961_100000090808 [0,2,0,0,0,0|2,0,0]=4 11340 B14R0.337 CCOCCCOCCCCC(=O)OC 34a_100000059025_100012232248 [0,2,0,0,0,0|1,0,0]=3 11341 B14R0.337 CCOCCCOCCCCC(=O)OC 34a_100000757476_100000204269 [0,2,0,0,0,0|1,0,0]=3 11342 B14R0.337 CCOCCCOCCCCC(=O)OC 7a_100000059025_100012232248 [0,2,0,0,0,0|1,0,0]=3 11343 B14R0.337 CCOCCCOCCCCC(=O)OC 7a_100000757476_100000204269 [0,2,0,0,0,0|1,0,0]=3 11344 B14R0.337 CCOCCCOCCOCC(=O)OC 34a_100000757476_100000090808 [0,2,0,0,0,0|2,0,0]=4 11345 B14R0.337 CCOCCCOCCOCC(=O)OC 7a_100000757476_100000090808 [0,2,0,0,0,0|2,0,0]=4 11346 B14R0.337 CCOCCCSCCCCC(=O)OC 62a_100000204269_100012232248 [0,2,0,0,0,0|1,0,0]=3 11347 B14R0.337 CCOCCCSCCCCC(=O)OC 62a_100012232248_100000204269 [0,2,0,0,0,0|1,0,0]=3 11348 B14R0.337 CCOCCCSCCOCC(=O)OC 62a_100000090808_100012232248 [0,2,0,0,0,0|2,0,0]=4 11349 B14R0.337 CCOCCCSCCOCC(=O)OC 62a_100012232248_100000090808 [0,2,0,0,0,0|2,0,0]=4 11350 B14R0.337 CCOCCNCCCCCC(=O)OC 2230a_102516460346_100009816466 [0,2,0,0,0,0|1,0,0]=3 11351 B14R0.337 CCOCCNCCCCCC(=O)OC 34a_102516460346_100009816466 [0,2,0,0,0,0|1,0,0]=3 11352 B14R0.337 CCOCCOCCCCCC(=O)OC 34a_100000074720_100000210147 [0,2,0,0,0,0|1,0,0]=3 11353 B14R0.337 CCOCCOCCCCCC(=O)OC 34a_100000210136_100009816466 [0,2,0,0,0,0|1,0,0]=3 11354 B14R0.337 CCOCCOCCCCCC(=O)OC 7a_100000074720_100011215890 [0,2,0,0,0,0|1,0,0]=3 11355 B14R0.337 CCOCCOCCCCCC(=O)OC 7a_100000210136_100009816466 [0,2,0,0,0,0|1,0,0]=3 11356 B14R0.337 CCOCCOCCNCCC(=O)OC 2230a_100102712874_100000204255 [0,2,0,0,0,0|2,0,0]=4 11357 B14R0.337 CCOCCOCCNCCC(=O)OC 34a_100102712874_100000742370 [0,2,0,0,0,0|2,0,0]=4 11358 B14R0.337 CCOCCOCCOCCC(=O)OC 34a_100000210240_100000742370 [0,2,0,0,0,0|2,0,0]=4 11359 B14R0.337 CCOCCOCCOCCC(=O)OC 34a_100010982084_100000210202 [0,2,0,0,0,0|2,0,0]=4 11360 B14R0.337 CCOCCOCCOCCC(=O)OC 7a_100000210240_100000204255 [0,2,0,0,0,0|2,0,0]=4 11361 B14R0.337 CCOCCOCCOCCC(=O)OC 7a_100010982084_100000210202 [0,2,0,0,0,0|2,0,0]=4 11362 B14R0.337 CCOCCOCCSCCC(=O)OC 62a_100000204255_100011211534 [0,2,0,0,0,0|2,0,0]=4 11363 B14R0.337 CCOCCOCCSCCC(=O)OC 62a_100011211534_100000204255 [0,2,0,0,0,0|2,0,0]=4 11364 B14R0.337 CCOCCSCCCCCC(=O)OC 62a_100000210147_100009816466 [0,2,0,0,0,0|1,0,0]=3 11365 B14R0.337 CCOCCSCCCCCC(=O)OC 62a_100009816466_100011215890 [0,2,0,0,0,0|1,0,0]=3 11366 B14R0.337 CCOCSCCCCCCC(=O)OC 62a_100000739092_100009815986 [0,2,0,0,0,0|1,0,0]=3 11367 B14R0.337 CCOCSCCCCCCC(=O)OC 62a_100009815986_100000739092 [0,2,0,0,0,0|1,0,0]=3 11368 B14R0.337 CCSCCCCCCCCC(=O)OC 62a_100000210202_100010282707 [0,2,0,0,0,0|0,0,0]=2 11369 B14R0.337 CCSCCCCCCCCC(=O)OC 62a_100010282707_100000210202 [0,2,0,0,0,0|0,0,0]=2 11370 B14R0.337 CCSCCCOCCCCC(=O)OC 34a_100011216438_100000204269 [0,2,0,0,0,0|1,0,0]=3 11371 B14R0.337 CCSCCCOCCCCC(=O)OC 7a_100011216438_100000204269 [0,2,0,0,0,0|1,0,0]=3 11372 B14R0.337 CCSCCCOCCOCC(=O)OC 34a_100011216438_100000090808 [0,2,0,0,0,0|2,0,0]=4 11373 B14R0.337 CCSCCCOCCOCC(=O)OC 7a_100011216438_100000090808 [0,2,0,0,0,0|2,0,0]=4 11374 B14R0.337 CCSCCNCCCCCC(=O)OC 2230a_100000106463_100009816466 [0,2,0,0,0,0|1,0,0]=3 11375 B14R0.337 CCSCCOCCCCCC(=O)OC 34a_100000074720_100000757381 [0,2,0,0,0,0|1,0,0]=3 11376 B14R0.337 CCSCCOCCCCCC(=O)OC 34a_100000212035_100009816466 [0,2,0,0,0,0|1,0,0]=3 11377 B14R0.337 CCSCCOCCCCCC(=O)OC 7a_100000074720_100000757381 [0,2,0,0,0,0|1,0,0]=3 11378 B14R0.337 CCSCCOCCCCCC(=O)OC 7a_100000212035_100009816466 [0,2,0,0,0,0|1,0,0]=3 11379 B14R0.337 CCSCCSCCCCCC(=O)OC 62a_100000757381_100009816466 [0,2,0,0,0,0|1,0,0]=3 11380 B14R0.337 CCSCCSCCCCCC(=O)OC 62a_100009816466_100000757381 [0,2,0,0,0,0|1,0,0]=3 11381 B14R0.337 CNC(=O)CCCCCCCCCCO 240690a_100102657272_200000016029 [0,2,0,0,0,0|1,0,0]=3 11382 B14R0.337 CNC(=O)CCCNCCCCCCF 2230a_100000740002_100015922095 [0,2,0,0,0,0|2,0,0]=4 11383 B14R0.337 CNC(=O)CCCNCCCCCCF 34a_100000740002_100015922095 [0,2,0,0,0,0|2,0,0]=4 11384 B14R0.337 CNC(=O)CCCNCCCCCCO 2230a_100000686447_100000741757 [0,2,0,0,0,0|2,0,0]=4 11385 B14R0.337 CNC(=O)CCCNCCCCCCO 2230a_100000740002_100000766143 [0,2,0,0,0,0|2,0,0]=4 11386 B14R0.337 CNC(=O)CCCNCCCCCCO 34a_100000686447_100000741757 [0,2,0,0,0,0|2,0,0]=4 11387 B14R0.337 CNC(=O)CCCNCCCCCCO 34a_100000740002_100000766143 [0,2,0,0,0,0|2,0,0]=4 11388 B14R0.337 CNC(=O)CCCNCCCCCOC 2230a_100000747528_100000741757 [0,2,0,0,0,0|2,0,0]=4 11389 B14R0.337 CNC(=O)CCCNCCCCCOC 34a_100000747528_100000741757 [0,2,0,0,0,0|2,0,0]=4 11390 B14R0.337 CNC(=O)CCCOCCCCCCBr 34a_100011215345_100000741757 [0,2,0,0,0,0|2,0,0]=4 11391 B14R0.337 CNC(=O)CCCOCCCCCCBr 7a_100011215345_100000741757 [0,2,0,0,0,0|2,0,0]=4 11392 B14R0.337 CNC(=O)CCCOCCCCCCCl 34a_100000766143_100000741757 [0,2,0,0,0,0|2,0,0]=4 11393 B14R0.337 CNC(=O)CCCOCCCCCCCl 7a_100000766143_100000741757 [0,2,0,0,0,0|2,0,0]=4 11394 B14R0.337 CNC(=O)CCCOCCCCCCF 34a_100000732779_100000741757 [0,2,0,0,0,0|2,0,0]=4 11395 B14R0.337 CNC(=O)CCCOCCCCCCF 7a_100000732779_100000741757 [0,2,0,0,0,0|2,0,0]=4 11396 B14R0.337 CNC(=O)CCCOCCCCCCN 34a_100000686447_100000741757 [0,2,0,0,0,0|2,0,0]=4 11397 B14R0.337 CNC(=O)CCCSCCCCCCF 62a_100000741757_100015922095 [0,2,0,0,0,0|2,0,0]=4 11398 B14R0.337 CNC(=O)CCCSCCCCCCF 62a_100015922095_100000741757 [0,2,0,0,0,0|2,0,0]=4 11399 B14R0.337 CNC(=O)CCCSCCCCCCO 62a_100000741757_100000766143 [0,2,0,0,0,0|2,0,0]=4 11400 B14R0.337 CNC(=O)CCCSCCCCCCO 62a_100000766143_100000741757 [0,2,0,0,0,0|2,0,0]=4 11401 B14R0.337 CNC(=O)CCNCCCCCCCO 2230a_100000738227_100000760002 [0,2,0,0,0,0|2,0,0]=4 11402 B14R0.337 CNC(=O)CCNCCCCCCCO 2230a_100011996573_100000737683 [0,2,0,0,0,0|2,0,0]=4 11403 B14R0.337 CNC(=O)CCNCCCCCCCO 34a_100000738227_100000760002 [0,2,0,0,0,0|2,0,0]=4 11404 B14R0.337 CNC(=O)CCNCCCCCCCO 34a_100011996573_100012179268 [0,2,0,0,0,0|2,0,0]=4 11405 B14R0.337 CNC(=O)CCNCCCCCCOC 2230a_100000738227_100011998445 [0,2,0,0,0,0|2,0,0]=4 11406 B14R0.337 CNC(=O)CCNCCCCCCOC 34a_100000738227_100011998445 [0,2,0,0,0,0|2,0,0]=4 11407 B14R0.337 CNC(=O)CCOCCCCCCCBr 34a_100000760002_100012179268 [0,2,0,0,0,0|2,0,0]=4 11408 B14R0.337 CNC(=O)CCOCCCCCCCBr 7a_100000760002_100000737683 [0,2,0,0,0,0|2,0,0]=4 11409 B14R0.337 CNC(=O)CCOCCCCCCCN 34a_100011996573_100012179268 [0,2,0,0,0,0|2,0,0]=4 11410 B14R0.337 CNC(=O)CCOCCCCCCCO 34a_100000754576_100000760002 [0,2,0,0,0,0|2,0,0]=4 11411 B14R0.337 CNC(=O)CCOCCCCCCOC 34a_100000754576_100011998445 [0,2,0,0,0,0|2,0,0]=4 11412 B14R0.337 CNC(=O)CCOCCCCCCOC 34a_200012092642_100012179268 [0,2,0,0,0,0|2,0,0]=4 11413 B14R0.337 CNC(=O)CCOCCCCCCOC 7a_200012092642_100000737683 [0,2,0,0,0,0|2,0,0]=4 11414 B14R0.337 CNC(=O)CCSCCCCCCCO 62a_100000737683_100000760002 [0,2,0,0,0,0|2,0,0]=4 11415 B14R0.337 CNC(=O)CCSCCCCCCCO 62a_100000760002_100000737683 [0,2,0,0,0,0|2,0,0]=4 11416 B14R0.337 CNC(=O)CCSCCCCCCOC 62a_100000737683_100011998445 [0,2,0,0,0,0|2,0,0]=4 11417 B14R0.337 CNC(=O)CCSCCCCCCOC 62a_100011998445_100000737683 [0,2,0,0,0,0|2,0,0]=4 11418 B14R0.337 CNC(=O)CNCCCCCCCCO 2230a_100000693194_100000033203 [0,2,0,0,0,0|2,0,0]=4 11419 B14R0.337 CNC(=O)CNCCCCCCCCO 2230a_102515433106_100000183359 [0,2,0,0,0,0|2,0,0]=4 11420 B14R0.337 CNC(=O)CNCCCCCCCCO 34a_102515433106_100000183359 [0,2,0,0,0,0|2,0,0]=4 11421 B14R0.337 CNC(=O)COCCCCCCCCBr 34a_100009813846_100000183359 [0,2,0,0,0,0|2,0,0]=4 11422 B14R0.337 CNC(=O)COCCCCCCCCBr 7a_100009813846_100000183359 [0,2,0,0,0,0|2,0,0]=4 11423 B14R0.337 CNC(=O)COCCCCCCCCCl 34a_100000033203_100000183359 [0,2,0,0,0,0|2,0,0]=4 11424 B14R0.337 CNC(=O)COCCCCCCCCCl 7a_100000033203_100000183359 [0,2,0,0,0,0|2,0,0]=4 11425 B14R0.337 CNC(=O)COCCCCCCCCN 34a_102515433106_100000183359 [0,2,0,0,0,0|2,0,0]=4 11426 B14R0.337 CNC(=O)COCCCCCCCCO 34a_100000750040_100000033203 [0,2,0,0,0,0|2,0,0]=4 11427 B14R0.337 CNC(=O)CSCCCCCCCCO 62a_100000033203_100000183359 [0,2,0,0,0,0|2,0,0]=4 11428 B14R0.337 CNC(=O)CSCCCCCCCCO 62a_100000183359_100000033203 [0,2,0,0,0,0|2,0,0]=4 11429 B14R0.337 CNC(=O)NCCCCCCCCCO 2708a_100000078944_106832991635 [0,2,0,0,0,0|2,0,0]=4 11430 B14R0.337 CNC(=O)NCCCCCCCCCO 2708a_100102657272_100000078944 [0,2,0,0,0,0|2,0,0]=4 11431 B14R0.337 CNC(=O)NCCCCCCCCCO 273464a_100000078944_100102657272 [0,2,0,0,0,0|2,0,0]=4 11432 B14R0.337 CNC(=O)NCCCCCCCCCO 273464a_100102657272_100000078944 [0,2,0,0,0,0|2,0,0]=4 11433 B14R0.337 CNC(=O)NCCCCCCCCCO 512a_100000078944_100102657272 [0,2,0,0,0,0|2,0,0]=4 11434 B14R0.337 CNC(=O)NCCCCCCCCCO 512a_106832991638_100000078944 [0,2,0,0,0,0|2,0,0]=4 11435 B14R0.337 CNCCCCCCCCCC(=O)OC 2230a_106832991635_100009813843 [0,2,0,0,0,0|0,0,0]=2 11436 B14R0.337 CNCCCCCCCCCC(=O)OC 34a_100102657272_100009813843 [0,2,0,0,0,0|0,0,0]=2 11437 B14R0.337 CNCCCCCCCCCC(=O)OC 7a_106832991635_100009813843 [0,2,0,0,0,0|0,0,0]=2 11438 B14R0.337 CNCCCCCOCCCC(=O)NC 34a_100000722520_100000741757 [0,2,0,0,0,0|2,0,0]=4 11439 B14R0.337 CNCCCCCOCCCC(=O)OC 34a_100000722520_100000742333 [0,2,0,0,0,0|1,0,0]=3 11440 B14R0.337 CNCCCOCCCCCC(=O)OC 34a_100000213112_100009816466 [0,2,0,0,0,0|1,0,0]=3 11441 B14R0.337 CNCCOCCOCCCC(=O)OC 34a_100000228057_100000742333 [0,2,0,0,0,0|2,0,0]=4 11442 B14R0.337 COC(=O)CCCCCCCCCSC 62a_200000210301_100009813843 [0,2,0,0,0,0|0,0,0]=2 11443 B14R0.337 COC(=O)CCCCCCCCCS[13CH3] 62a_200025704644_100009813843 [0,2,0,0,0,0|0,0,0]=2 11444 B14R0.337 COC(=O)CCCCCCCCOCF 34a_100000035544_100015361967 [0,2,0,0,0,0|1,0,0]=3 11445 B14R0.337 COC(=O)CCCCCCCCOCF 7a_100000035544_100015361967 [0,2,0,0,0,0|1,0,0]=3 11446 B14R0.337 COC(=O)CCCCCCCCSCF 62a_100010282707_100015361967 [0,2,0,0,0,0|1,0,0]=3 11447 B14R0.337 COC(=O)CCCCCCCCSCF 62a_100015361967_100010282707 [0,2,0,0,0,0|1,0,0]=3 11448 B14R0.337 COC(=O)CCCCCCCNCCF 34a_100000724931_100010004213 [0,2,0,0,0,0|1,0,0]=3 11449 B14R0.337 COC(=O)CCCCCCCNCCO 2230a_100016997473_100010004213 [0,2,0,0,0,0|1,0,0]=3 11450 B14R0.337 COC(=O)CCCCCCCNCCO 34a_100016990907_100010004213 [0,2,0,0,0,0|1,0,0]=3 11451 B14R0.337 COC(=O)CCCCCCCOCC#N 7a_100011022521_100011215382 [0,2,0,0,0,0|1,0,1]=4 11452 B14R0.337 COC(=O)CCCCCCCOCC=O 34a_100011022521_200009817547 [0,2,0,0,0,0|1,0,1]=4 11453 B14R0.337 COC(=O)CCCCCCCOCC=O 7a_100011022521_200015260668 [0,2,0,0,0,0|1,0,1]=4 11454 B14R0.337 COC(=O)CCCCCCCOCCBr 34a_100000211926_100010004213 [0,2,0,0,0,0|1,0,0]=3 11455 B14R0.337 COC(=O)CCCCCCCOCCF 34a_100011022521_100011217306 [0,2,0,0,0,0|1,0,0]=3 11456 B14R0.337 COC(=O)CCCCCCCOCCF 7a_100011022521_100011217306 [0,2,0,0,0,0|1,0,0]=3 11457 B14R0.337 COC(=O)CCCCCCCOCCN 34a_100000210304_100010004213 [0,2,0,0,0,0|1,0,0]=3 11458 B14R0.337 COC(=O)CCCCCCCOCCO 34a_100011022521_100000211926 [0,2,0,0,0,0|1,0,0]=3 11459 B14R0.337 COC(=O)CCCCCCCOCCO 7a_100011022521_100000211926 [0,2,0,0,0,0|1,0,0]=3 11460 B14R0.337 COC(=O)CCCCCCCOCSC 34a_100011022521_100011218213 [0,2,0,0,0,0|1,0,0]=3 11461 B14R0.337 COC(=O)CCCCCCCSCC#N 62a_100010004213_100011215382 [0,2,0,0,0,0|1,0,1]=4 11462 B14R0.337 COC(=O)CCCCCCCSCC#N 62a_100011215382_100010004213 [0,2,0,0,0,0|1,0,1]=4 11463 B14R0.337 COC(=O)CCCCCCCSCC=O 62a_100010004213_200015260668 [0,2,0,0,0,0|1,0,1]=4 11464 B14R0.337 COC(=O)CCCCCCCSCC=O 62a_200015260668_100010004213 [0,2,0,0,0,0|1,0,1]=4 11465 B14R0.337 COC(=O)CCCCCCCSCCF 62a_100010004213_100011217306 [0,2,0,0,0,0|1,0,0]=3 11466 B14R0.337 COC(=O)CCCCCCCSCCF 62a_100011217306_100010004213 [0,2,0,0,0,0|1,0,0]=3 11467 B14R0.337 COC(=O)CCCCCCCSCCO 62a_100000211926_100010004213 [0,2,0,0,0,0|1,0,0]=3 11468 B14R0.337 COC(=O)CCCCCCCSCCO 62a_100010004213_100000211926 [0,2,0,0,0,0|1,0,0]=3 11469 B14R0.337 COC(=O)CCCCCCCSCSC 62a_100010004213_100011218213 [0,2,0,0,0,0|1,0,0]=3 11470 B14R0.337 COC(=O)CCCCCCCSCSC 62a_100011218213_100010004213 [0,2,0,0,0,0|1,0,0]=3 11471 B14R0.337 COC(=O)CCCCCCNCCCF 2230a_100015189416_100009815986 [0,2,0,0,0,0|1,0,0]=3 11472 B14R0.337 COC(=O)CCCCCCNCCCF 34a_100015189416_100009815986 [0,2,0,0,0,0|1,0,0]=3 11473 B14R0.337 COC(=O)CCCCCCNCCSC 2230a_100020590264_100009815986 [0,2,0,0,0,0|1,0,0]=3 11474 B14R0.337 COC(=O)CCCCCCOCCC#N 7a_100009863599_100000184422 [0,2,0,0,0,0|1,0,1]=4 11475 B14R0.337 COC(=O)CCCCCCOCCCBr 34a_100011217188_100009815986 [0,2,0,0,0,0|1,0,0]=3 11476 B14R0.337 COC(=O)CCCCCCOCCCCl 34a_100000230001_100009815986 [0,2,0,0,0,0|1,0,0]=3 11477 B14R0.337 COC(=O)CCCCCCOCCCF 34a_100000759539_100009815986 [0,2,0,0,0,0|1,0,0]=3 11478 B14R0.337 COC(=O)CCCCCCOCCCF 34a_100009863599_100011934791 [0,2,0,0,0,0|1,0,0]=3 11479 B14R0.337 COC(=O)CCCCCCOCCCF 7a_100009863599_100011934791 [0,2,0,0,0,0|1,0,0]=3 11480 B14R0.337 COC(=O)CCCCCCOCCCN 34a_100000182051_100009815986 [0,2,0,0,0,0|1,0,0]=3 11481 B14R0.337 COC(=O)CCCCCCOCCCO 34a_100009863599_100000230001 [0,2,0,0,0,0|1,0,0]=3 11482 B14R0.337 COC(=O)CCCCCCOCCCO 7a_100009863599_100011215043 [0,2,0,0,0,0|1,0,0]=3 11483 B14R0.337 COC(=O)CCCCCCOCCON 34a_100000700252_100009815986 [0,2,0,0,0,0|2,0,0]=4 11484 B14R0.337 COC(=O)CCCCCCOCCSC 34a_100000230434_100009815986 [0,2,0,0,0,0|1,0,0]=3 11485 B14R0.337 COC(=O)CCCCCCOCCSC 34a_100009863599_100000212216 [0,2,0,0,0,0|1,0,0]=3 11486 B14R0.337 COC(=O)CCCCCCOCCSC 7a_100000230434_100009815986 [0,2,0,0,0,0|1,0,0]=3 11487 B14R0.337 COC(=O)CCCCCCOCCSC 7a_100009863599_100000212216 [0,2,0,0,0,0|1,0,0]=3 11488 B14R0.337 COC(=O)CCCCCCSCCC#N 62a_100009815986_100011215226 [0,2,0,0,0,0|1,0,1]=4 11489 B14R0.337 COC(=O)CCCCCCSCCC#N 62a_100011215226_100009815986 [0,2,0,0,0,0|1,0,1]=4 11490 B14R0.337 COC(=O)CCCCCCSCCCF 62a_100009815986_100011934791 [0,2,0,0,0,0|1,0,0]=3 11491 B14R0.337 COC(=O)CCCCCCSCCCF 62a_100011934791_100009815986 [0,2,0,0,0,0|1,0,0]=3 11492 B14R0.337 COC(=O)CCCCCCSCCCO 62a_100009815986_100011215043 [0,2,0,0,0,0|1,0,0]=3 11493 B14R0.337 COC(=O)CCCCCCSCCCO 62a_100011215043_100009815986 [0,2,0,0,0,0|1,0,0]=3 11494 B14R0.337 COC(=O)CCCCCCSCCSC 62a_100000212216_100009815986 [0,2,0,0,0,0|1,0,0]=3 11495 B14R0.337 COC(=O)CCCCCCSCCSC 62a_100009815986_100000751147 [0,2,0,0,0,0|1,0,0]=3 11496 B14R0.337 COC(=O)CCCCCNCCCCO 2230a_100000750430_100009816466 [0,2,0,0,0,0|1,0,0]=3 11497 B14R0.337 COC(=O)CCCCCNCCCCO 34a_100000750430_100009816466 [0,2,0,0,0,0|1,0,0]=3 11498 B14R0.337 COC(=O)CCCCCNCCCSC 2230a_100000749238_100009816466 [0,2,0,0,0,0|1,0,0]=3 11499 B14R0.337 COC(=O)CCCCCOCCCC#N 7a_100000074720_100000687738 [0,2,0,0,0,0|1,0,1]=4 11500 B14R0.337 COC(=O)CCCCCOCCCC=O 7a_100000074720_200011292268 [0,2,0,0,0,0|1,0,1]=4 11501 B14R0.337 COC(=O)CCCCCOCCCCBr 34a_100011216708_100009816466 [0,2,0,0,0,0|1,0,0]=3 11502 B14R0.337 COC(=O)CCCCCOCCCCCl 34a_100000210776_100009816466 [0,2,0,0,0,0|1,0,0]=3 11503 B14R0.337 COC(=O)CCCCCOCCCCCl 7a_100000210776_100009816466 [0,2,0,0,0,0|1,0,0]=3 11504 B14R0.337 COC(=O)CCCCCOCCCCF 34a_100000074720_100000729493 [0,2,0,0,0,0|1,0,0]=3 11505 B14R0.337 COC(=O)CCCCCOCCCCF 34a_100011995726_100009816466 [0,2,0,0,0,0|1,0,0]=3 11506 B14R0.337 COC(=O)CCCCCOCCCCF 7a_100000074720_100000729493 [0,2,0,0,0,0|1,0,0]=3 11507 B14R0.337 COC(=O)CCCCCOCCCCF 7a_100011995726_100009816466 [0,2,0,0,0,0|1,0,0]=3 11508 B14R0.337 COC(=O)CCCCCOCCCCI 34a_200012148704_100009816466 [0,2,0,0,0,0|1,0,0]=3 11509 B14R0.337 COC(=O)CCCCCOCCCCN 34a_100000750430_100009816466 [0,2,0,0,0,0|1,0,0]=3 11510 B14R0.337 COC(=O)CCCCCOCCCCO 34a_100000074720_100011216708 [0,2,0,0,0,0|1,0,0]=3 11511 B14R0.337 COC(=O)CCCCCOCCCCO 7a_100000074720_100000210776 [0,2,0,0,0,0|1,0,0]=3 11512 B14R0.337 COC(=O)CCCCCOCCCSC 34a_100000690336_100009816466 [0,2,0,0,0,0|1,0,0]=3 11513 B14R0.337 COC(=O)CCCCCOCCCSC 7a_100000690336_100009816466 [0,2,0,0,0,0|1,0,0]=3 11514 B14R0.337 COC(=O)CCCCCSCCCC#N 62a_100000687738_100009816466 [0,2,0,0,0,0|1,0,1]=4 11515 B14R0.337 COC(=O)CCCCCSCCCC#N 62a_100009816466_100000687738 [0,2,0,0,0,0|1,0,1]=4 11516 B14R0.337 COC(=O)CCCCCSCCCC=O 62a_100009816466_200011292268 [0,2,0,0,0,0|1,0,1]=4 11517 B14R0.337 COC(=O)CCCCCSCCCC=O 62a_200011292268_100009816466 [0,2,0,0,0,0|1,0,1]=4 11518 B14R0.337 COC(=O)CCCCCSCCCCF 62a_100000729493_100009816466 [0,2,0,0,0,0|1,0,0]=3 11519 B14R0.337 COC(=O)CCCCCSCCCCF 62a_100009816466_100000729493 [0,2,0,0,0,0|1,0,0]=3 11520 B14R0.337 COC(=O)CCCCCSCCCCO 62a_100000210776_100009816466 [0,2,0,0,0,0|1,0,0]=3 11521 B14R0.337 COC(=O)CCCCCSCCCCO 62a_100009816466_100000210776 [0,2,0,0,0,0|1,0,0]=3 11522 B14R0.337 COC(=O)CCCCNCCCCCO 2230a_100000762737_100000204269 [0,2,0,0,0,0|1,0,0]=3 11523 B14R0.337 COC(=O)CCCCNCCCCCO 34a_100000762737_100000204269 [0,2,0,0,0,0|1,0,0]=3 11524 B14R0.337 COC(=O)CCCCNCCOCCO 2230a_100000211614_100000204269 [0,2,0,0,0,0|2,0,0]=4 11525 B14R0.337 COC(=O)CCCCNCCOCCO 34a_100000211614_100000204269 [0,2,0,0,0,0|2,0,0]=4 11526 B14R0.337 COC(=O)CCCCNCCSCCO 2230a_100011219999_100000204269 [0,2,0,0,0,0|2,0,0]=4 11527 B14R0.337 COC(=O)CCCCOCCCCC#N 7a_100000059025_100000211819 [0,2,0,0,0,0|1,0,1]=4 11528 B14R0.337 COC(=O)CCCCOCCCCC=O 7a_100000059025_100000139335 [0,2,0,0,0,0|1,0,1]=4 11529 B14R0.337 COC(=O)CCCCOCCCCCBr 34a_100000746331_100000204269 [0,2,0,0,0,0|1,0,0]=3 11530 B14R0.337 COC(=O)CCCCOCCCCCBr 7a_100000746331_100000204269 [0,2,0,0,0,0|1,0,0]=3 11531 B14R0.337 COC(=O)CCCCOCCCCCCl 34a_100000746330_100000204269 [0,2,0,0,0,0|1,0,0]=3 11532 B14R0.337 COC(=O)CCCCOCCCCCCl 7a_100000746330_100000204269 [0,2,0,0,0,0|1,0,0]=3 11533 B14R0.337 COC(=O)CCCCOCCCCCF 34a_100000059025_100000729378 [0,2,0,0,0,0|1,0,0]=3 11534 B14R0.337 COC(=O)CCCCOCCCCCF 7a_100000059025_100000729378 [0,2,0,0,0,0|1,0,0]=3 11535 B14R0.337 COC(=O)CCCCOCCCCCI 34a_200012148887_100000204269 [0,2,0,0,0,0|1,0,0]=3 11536 B14R0.337 COC(=O)CCCCOCCCCCI 7a_200012148887_100000204269 [0,2,0,0,0,0|1,0,0]=3 11537 B14R0.337 COC(=O)CCCCOCCCCCN 34a_100000762737_100000204269 [0,2,0,0,0,0|1,0,0]=3 11538 B14R0.337 COC(=O)CCCCOCCCCCO 34a_100000059025_100000746330 [0,2,0,0,0,0|1,0,0]=3 11539 B14R0.337 COC(=O)CCCCOCCCCCO 7a_100000059025_100000746330 [0,2,0,0,0,0|1,0,0]=3 11540 B14R0.337 COC(=O)CCCCOCCCCSC 34a_100011217163_100000204269 [0,2,0,0,0,0|1,0,0]=3 11541 B14R0.337 COC(=O)CCCCOCCCCSC 7a_100011217163_100000204269 [0,2,0,0,0,0|1,0,0]=3 11542 B14R0.337 COC(=O)CCCCOCCOCCBr 34a_100000692535_100000204269 [0,2,0,0,0,0|2,0,0]=4 11543 B14R0.337 COC(=O)CCCCOCCOCCBr 7a_100000692535_100000204269 [0,2,0,0,0,0|2,0,0]=4 11544 B14R0.337 COC(=O)CCCCOCCOCCCl 34a_100011215305_100000204269 [0,2,0,0,0,0|2,0,0]=4 11545 B14R0.337 COC(=O)CCCCOCCOCCCl 7a_100011215305_100000204269 [0,2,0,0,0,0|2,0,0]=4 11546 B14R0.337 COC(=O)CCCCOCCOCCF 34a_200015357709_100000204269 [0,2,0,0,0,0|2,0,0]=4 11547 B14R0.337 COC(=O)CCCCOCCOCCF 7a_200015357709_100000204269 [0,2,0,0,0,0|2,0,0]=4 11548 B14R0.337 COC(=O)CCCCOCCOCCI 34a_100012149058_100000204269 [0,2,0,0,0,0|2,0,0]=4 11549 B14R0.337 COC(=O)CCCCOCCOCCI 7a_100012149058_100000204269 [0,2,0,0,0,0|2,0,0]=4 11550 B14R0.337 COC(=O)CCCCOCCOCCN 34a_100000211614_100000204269 [0,2,0,0,0,0|2,0,0]=4 11551 B14R0.337 COC(=O)CCCCOCCOCCO 34a_100000059025_100000692535 [0,2,0,0,0,0|2,0,0]=4 11552 B14R0.337 COC(=O)CCCCOCCOCCO 7a_100000059025_100011215305 [0,2,0,0,0,0|2,0,0]=4 11553 B14R0.337 COC(=O)CCCCSCCCCC#N 62a_100000204269_100000211819 [0,2,0,0,0,0|1,0,1]=4 11554 B14R0.337 COC(=O)CCCCSCCCCC#N 62a_100011219923_100000204269 [0,2,0,0,0,0|1,0,1]=4 11555 B14R0.337 COC(=O)CCCCSCCCCC=O 62a_100000139335_100000204269 [0,2,0,0,0,0|1,0,1]=4 11556 B14R0.337 COC(=O)CCCCSCCCCC=O 62a_100000204269_100000139335 [0,2,0,0,0,0|1,0,1]=4 11557 B14R0.337 COC(=O)CCCCSCCCCCF 62a_100000204269_100000729378 [0,2,0,0,0,0|1,0,0]=3 11558 B14R0.337 COC(=O)CCCCSCCCCCF 62a_100000729378_100000204269 [0,2,0,0,0,0|1,0,0]=3 11559 B14R0.337 COC(=O)CCCCSCCCCCO 62a_100000204269_100000746330 [0,2,0,0,0,0|1,0,0]=3 11560 B14R0.337 COC(=O)CCCCSCCCCCO 62a_100000746330_100000204269 [0,2,0,0,0,0|1,0,0]=3 11561 B14R0.337 COC(=O)CCCCSCCOCCO 62a_100000204269_100011215305 [0,2,0,0,0,0|2,0,0]=4 11562 B14R0.337 COC(=O)CCCCSCCOCCO 62a_100011215305_100000204269 [0,2,0,0,0,0|2,0,0]=4 11563 B14R0.337 COC(=O)CCCNCCCCCCO 2230a_100000686447_100011218270 [0,2,0,0,0,0|1,0,0]=3 11564 B14R0.337 COC(=O)CCCNCCCCCCO 34a_100000686447_100000742333 [0,2,0,0,0,0|1,0,0]=3 11565 B14R0.337 COC(=O)CCCOCCCCCCBr 34a_100011215345_100000742333 [0,2,0,0,0,0|1,0,0]=3 11566 B14R0.337 COC(=O)CCCOCCCCCCBr 7a_100011215345_100011218270 [0,2,0,0,0,0|1,0,0]=3 11567 B14R0.337 COC(=O)CCCOCCCCCCCl 34a_100000766143_100000742333 [0,2,0,0,0,0|1,0,0]=3 11568 B14R0.337 COC(=O)CCCOCCCCCCCl 7a_100000766143_100011218270 [0,2,0,0,0,0|1,0,0]=3 11569 B14R0.337 COC(=O)CCCOCCCCCCF 34a_100000732779_100000742333 [0,2,0,0,0,0|1,0,0]=3 11570 B14R0.337 COC(=O)CCCOCCCCCCF 7a_100000732779_100011218270 [0,2,0,0,0,0|1,0,0]=3 11571 B14R0.337 COC(=O)CCCOCCCCCCN 34a_100000686447_100000742333 [0,2,0,0,0,0|1,0,0]=3 11572 B14R0.337 COC(=O)CCCSCCCCCC#N 62a_100009813376_100011218270 [0,2,0,0,0,0|1,0,1]=4 11573 B14R0.337 COC(=O)CCCSCCCCCC#N 62a_100011218270_100009813376 [0,2,0,0,0,0|1,0,1]=4 11574 B14R0.337 COC(=O)CCCSCCCCCC=O 62a_100000139337_100011218270 [0,2,0,0,0,0|1,0,1]=4 11575 B14R0.337 COC(=O)CCCSCCCCCC=O 62a_100011218270_100000139337 [0,2,0,0,0,0|1,0,1]=4 11576 B14R0.337 COC(=O)CCCSCCCCCCF 62a_100011218270_100015922095 [0,2,0,0,0,0|1,0,0]=3 11577 B14R0.337 COC(=O)CCCSCCCCCCF 62a_100015922095_100011218270 [0,2,0,0,0,0|1,0,0]=3 11578 B14R0.337 COC(=O)CCCSCCCCCCO 62a_100000766143_100011218270 [0,2,0,0,0,0|1,0,0]=3 11579 B14R0.337 COC(=O)CCCSCCCCCCO 62a_100011218270_100000766143 [0,2,0,0,0,0|1,0,0]=3 11580 B14R0.337 COC(=O)CCNCCCCCCCO 2230a_100011996573_100000204255 [0,2,0,0,0,0|1,0,0]=3 11581 B14R0.337 COC(=O)CCNCCCCCCCO 34a_100011996573_100000742370 [0,2,0,0,0,0|1,0,0]=3 11582 B14R0.337 COC(=O)CCNCCCOCCCO 2230a_100011310245_100000204255 [0,2,0,0,0,0|2,0,0]=4 11583 B14R0.337 COC(=O)CCNCCCOCCCO 34a_100011310245_100000742370 [0,2,0,0,0,0|2,0,0]=4 11584 B14R0.337 COC(=O)CCOCCCCCCCBr 34a_100000760002_100000742370 [0,2,0,0,0,0|1,0,0]=3 11585 B14R0.337 COC(=O)CCOCCCCCCCBr 7a_100000760002_100000204255 [0,2,0,0,0,0|1,0,0]=3 11586 B14R0.337 COC(=O)CCOCCCCCCCN 34a_100011996573_100000742370 [0,2,0,0,0,0|1,0,0]=3 11587 B14R0.337 COC(=O)CCOCCCOCCCN 34a_100011310245_100000742370 [0,2,0,0,0,0|2,0,0]=4 11588 B14R0.337 COC(=O)CCSCCCCCCC#N 62a_100000204255_100009813337 [0,2,0,0,0,0|1,0,1]=4 11589 B14R0.337 COC(=O)CCSCCCCCCC#N 62a_100009813337_100000204255 [0,2,0,0,0,0|1,0,1]=4 11590 B14R0.337 COC(=O)CCSCCCCCCCO 62a_100000204255_100000760002 [0,2,0,0,0,0|1,0,0]=3 11591 B14R0.337 COC(=O)CCSCCCCCCCO 62a_100000760002_100000204255 [0,2,0,0,0,0|1,0,0]=3 11592 B14R0.337 COC(=O)CNCCCCCCCCO 2230a_102515433106_100000747449 [0,2,0,0,0,0|1,0,0]=3 11593 B14R0.337 COC(=O)CNCCCCCCCCO 34a_102515433106_100000747449 [0,2,0,0,0,0|1,0,0]=3 11594 B14R0.337 COC(=O)COCCCCCCCCBr 34a_100009813846_100000747449 [0,2,0,0,0,0|1,0,0]=3 11595 B14R0.337 COC(=O)COCCCCCCCCBr 7a_100009813846_100000747449 [0,2,0,0,0,0|1,0,0]=3 11596 B14R0.337 COC(=O)COCCCCCCCCCl 34a_100000033203_100000747449 [0,2,0,0,0,0|1,0,0]=3 11597 B14R0.337 COC(=O)COCCCCCCCCCl 7a_100000033203_100000747449 [0,2,0,0,0,0|1,0,0]=3 11598 B14R0.337 COC(=O)COCCCCCCCCN 34a_102515433106_100000747449 [0,2,0,0,0,0|1,0,0]=3 11599 B14R0.337 COC(=O)COCCCCCNCCN 34a_103619048469_100000747449 [0,2,0,0,0,0|2,0,0]=4 11600 B14R0.337 COC(=O)COCCNCCCCCO 2230a_100000762737_100000090808 [0,2,0,0,0,0|2,0,0]=4 11601 B14R0.337 COC(=O)COCCNCCCCCO 34a_100000762737_100000090808 [0,2,0,0,0,0|2,0,0]=4 11602 B14R0.337 COC(=O)COCCOCCCCCBr 34a_100000746331_100000090808 [0,2,0,0,0,0|2,0,0]=4 11603 B14R0.337 COC(=O)COCCOCCCCCBr 7a_100000746331_100000090808 [0,2,0,0,0,0|2,0,0]=4 11604 B14R0.337 COC(=O)COCCOCCCCCCl 34a_100000746330_100000090808 [0,2,0,0,0,0|2,0,0]=4 11605 B14R0.337 COC(=O)COCCOCCCCCCl 7a_100000746330_100000090808 [0,2,0,0,0,0|2,0,0]=4 11606 B14R0.337 COC(=O)COCCOCCCCCI 34a_200012148887_100000090808 [0,2,0,0,0,0|2,0,0]=4 11607 B14R0.337 COC(=O)COCCOCCCCCI 7a_200012148887_100000090808 [0,2,0,0,0,0|2,0,0]=4 11608 B14R0.337 COC(=O)COCCOCCCCCN 34a_100000762737_100000090808 [0,2,0,0,0,0|2,0,0]=4 11609 B14R0.337 COC(=O)COCCOCCCCSC 34a_100011217163_100000090808 [0,2,0,0,0,0|2,0,0]=4 11610 B14R0.337 COC(=O)COCCOCCCCSC 7a_100011217163_100000090808 [0,2,0,0,0,0|2,0,0]=4 11611 B14R0.337 COC(=O)COCCSCCCCCF 62a_100000090808_100000729378 [0,2,0,0,0,0|2,0,0]=4 11612 B14R0.337 COC(=O)COCCSCCCCCF 62a_100000729378_100000090808 [0,2,0,0,0,0|2,0,0]=4 11613 B14R0.337 COC(=O)COCCSCCCCCO 62a_100000090808_100000746330 [0,2,0,0,0,0|2,0,0]=4 11614 B14R0.337 COC(=O)COCCSCCCCCO 62a_100000746330_100000090808 [0,2,0,0,0,0|2,0,0]=4 11615 B14R0.337 COC(=O)CSCCCCCCCCO 62a_100000033203_100000747449 [0,2,0,0,0,0|1,0,0]=3 11616 B14R0.337 COC(=O)CSCCCCCCCCO 62a_100000747449_100000033203 [0,2,0,0,0,0|1,0,0]=3 11617 B14R0.337 COC(=O)NCCOCCCCCCF 34a_100000757965_100015922095 [0,2,0,0,0,0|2,0,0]=4 11618 B14R0.337 COC(=O)NCCOCCCCCCO 34a_100000757965_100000766143 [0,2,0,0,0,0|2,0,0]=4 11619 B14R0.337 COC(=O)OCCOCCCCCCF 34a_100010262106_100015922095 [0,2,0,0,0,0|2,0,0]=4 11620 B14R0.337 COC(=O)OCCOCCCCCCO 34a_100010262106_100000766143 [0,2,0,0,0,0|2,0,0]=4 11621 B14R0.337 COC(=O)OCSCCCCCCCO 62a_100000760002_100000139417 [0,2,0,0,0,0|2,0,0]=4 11622 B14R0.337 COCCCCCCCCCC(=O)OC 34a_100138415774_100009813843 [0,2,0,0,0,0|0,0,0]=2 11623 B14R0.337 COCCCCCCOCCC(=NO)N 34a_100000749954_100011998445 [0,2,0,0,0,0|2,0,0]=4 11624 B14R0.337 COCCCCCCOCCC(=O)OC 34a_200012092642_100000742370 [0,2,0,0,0,0|1,0,0]=3 11625 B14R0.337 COCCCCCCOCCC(=O)OC 7a_200012092642_100000204255 [0,2,0,0,0,0|1,0,0]=3 11626 B14R0.337 COCCCCCCSCCC(=O)OC 62a_100000204255_100011998445 [0,2,0,0,0,0|1,0,0]=3 11627 B14R0.337 COCCCCCCSCCC(=O)OC 62a_100011998445_100000204255 [0,2,0,0,0,0|1,0,0]=3 11628 B14R0.337 COCCCCCCSCOC(=O)OC 62a_100011998445_100000139417 [0,2,0,0,0,0|2,0,0]=4 11629 B14R0.337 COCCCCCNCCCC(=O)OC 2230a_100000747528_100011218270 [0,2,0,0,0,0|1,0,0]=3 11630 B14R0.337 COCCCCCNCCCC(=O)OC 34a_100000747528_100000742333 [0,2,0,0,0,0|1,0,0]=3 11631 B14R0.337 COCCCCOCCCCC(=O)OC 34a_100000059025_100000755781 [0,2,0,0,0,0|1,0,0]=3 11632 B14R0.337 COCCCCOCCCCC(=O)OC 34a_100000740925_100000204269 [0,2,0,0,0,0|1,0,0]=3 11633 B14R0.337 COCCCCOCCCCC(=O)OC 7a_100000059025_100000730899 [0,2,0,0,0,0|1,0,0]=3 11634 B14R0.337 COCCCCOCCOCC(=O)OC 34a_100000740925_100000090808 [0,2,0,0,0,0|2,0,0]=4 11635 B14R0.337 COCCCCSCCCCC(=O)OC 62a_100000204269_100000730899 [0,2,0,0,0,0|1,0,0]=3 11636 B14R0.337 COCCCCSCCCCC(=O)OC 62a_100000730899_100000204269 [0,2,0,0,0,0|1,0,0]=3 11637 B14R0.337 COCCCCSCCOCC(=O)OC 62a_100000090808_100000730899 [0,2,0,0,0,0|2,0,0]=4 11638 B14R0.337 COCCCCSCCOCC(=O)OC 62a_100000730899_100000090808 [0,2,0,0,0,0|2,0,0]=4 11639 B14R0.337 COCCCNCCCCCC(=O)OC 34a_100150723488_100009816466 [0,2,0,0,0,0|1,0,0]=3 11640 B14R0.337 COCCCOCCCCCC(=O)OC 34a_100000074720_100000740836 [0,2,0,0,0,0|1,0,0]=3 11641 B14R0.337 COCCCOCCCCCC(=O)OC 34a_100000740835_100009816466 [0,2,0,0,0,0|1,0,0]=3 11642 B14R0.337 COCCCOCCCCCC(=O)OC 7a_100000074720_100000740836 [0,2,0,0,0,0|1,0,0]=3 11643 B14R0.337 COCCCOCCCOCC(=O)OC 34a_200011215475_100000747449 [0,2,0,0,0,0|2,0,0]=4 11644 B14R0.337 COCCCOCCCOCC(=O)OC 7a_200011215475_100000747449 [0,2,0,0,0,0|2,0,0]=4 11645 B14R0.337 COCCCSCCCCCC(=O)OC 62a_100000709357_100009816466 [0,2,0,0,0,0|1,0,0]=3 11646 B14R0.337 COCCCSCCCCCC(=O)OC 62a_100009816466_100000709357 [0,2,0,0,0,0|1,0,0]=3 11647 B14R0.337 COCCNCCCCCCC(=O)OC 2230a_100000209980_100009815986 [0,2,0,0,0,0|1,0,0]=3 11648 B14R0.337 COCCOCCCCCCC(=O)OC 34a_100000210237_100009815986 [0,2,0,0,0,0|1,0,0]=3 11649 B14R0.337 COCCOCCCCCCC(=O)OC 34a_100009863599_100011201679 [0,2,0,0,0,0|1,0,0]=3 11650 B14R0.337 COCCOCCCCCCC(=O)OC 7a_100009863599_100000233755 [0,2,0,0,0,0|1,0,0]=3 11651 B14R0.337 COCCOCCCNCCC(=O)OC 2230a_100000206027_100000204255 [0,2,0,0,0,0|2,0,0]=4 11652 B14R0.337 COCCOCCCNCCC(=O)OC 34a_100000206027_100000742370 [0,2,0,0,0,0|2,0,0]=4 11653 B14R0.337 COCCOCCCSCCC(=O)OC 62a_100000204255_100011216529 [0,2,0,0,0,0|2,0,0]=4 11654 B14R0.337 COCCOCCCSCCC(=O)OC 62a_100011216529_100000204255 [0,2,0,0,0,0|2,0,0]=4 11655 B14R0.337 COCCOCCNCCCC(=O)OC 2230a_100000745349_100011218270 [0,2,0,0,0,0|2,0,0]=4 11656 B14R0.337 COCCOCCNCCCC(=O)OC 34a_100000745349_100000742333 [0,2,0,0,0,0|2,0,0]=4 11657 B14R0.337 COCCOCCOCCCC(=O)OC 34a_100011215163_100000742333 [0,2,0,0,0,0|2,0,0]=4 11658 B14R0.337 COCCOCCOCCCC(=O)OC 7a_100011215163_100011218270 [0,2,0,0,0,0|2,0,0]=4 11659 B14R0.337 COCCOCCSCCCC(=O)OC 62a_100000695917_100011218270 [0,2,0,0,0,0|2,0,0]=4 11660 B14R0.337 COCCOCCSCCCC(=O)OC 62a_100011218270_100000695917 [0,2,0,0,0,0|2,0,0]=4 11661 B14R0.337 COCCOCSCCCCC(=O)OC 62a_100000204269_100000231047 [0,2,0,0,0,0|2,0,0]=4 11662 B14R0.337 COCCOCSCCCCC(=O)OC 62a_100000231047_100000204269 [0,2,0,0,0,0|2,0,0]=4 11663 B14R0.337 COCCSCCCCCCC(=O)OC 62a_100000233755_100009815986 [0,2,0,0,0,0|1,0,0]=3 11664 B14R0.337 COCCSCCCCCCC(=O)OC 62a_100009815986_100000233755 [0,2,0,0,0,0|1,0,0]=3 11665 B14R0.337 COCSCCCCCCCC(=O)OC 62a_100000766300_100010004213 [0,2,0,0,0,0|1,0,0]=3 11666 B14R0.337 COCSCCCCCCCC(=O)OC 62a_100010004213_100000766300 [0,2,0,0,0,0|1,0,0]=3 11667 B14R0.337 NC(=NO)CCOCCCCCCCO 34a_100000749954_100000760002 [0,2,0,0,0,0|2,0,0]=4 11668 B14R0.337 NNC(=O)CCCOCCCCCCF 34a_100000211488_100015922095 [0,2,0,0,0,0|2,0,0]=4 11669 B14R0.337 NNC(=O)CCCOCCCCCCO 34a_100000211488_100000766143 [0,2,0,0,0,0|2,0,0]=4 11670 B14R0.337 O=C(CO)CCCCCCCCCCO 1458a_100000210174_100009813290 [0,2,0,0,0,0|0,0,0]=2 11671 B14R0.337 O=C(CO)NCCCCCCCCCO 240690a_100000078944_100000210174 [0,2,0,0,0,0|1,0,0]=3 11672 B14R0.340 C#CCCCCCCCN[C@@H](C)C(=O)O 269956a_100000743915_100153394163 [0,2,0,0,0,0|0,0,2]=4 11673 B14R0.340 C#CCCCCCCNCC(C)C(=O)O 269956a_100000749485_100012276617 [0,2,0,0,0,0|0,0,2]=4 11674 B14R0.340 C#CCCCCCCNCC(F)C(=O)O 269956a_100000084737_100012276617 [0,2,0,0,0,0|0,0,2]=4 11675 B14R0.340 C=C(Br)C(=O)NCCCCCCCCC 11a_100000212291_100009813364 [0,2,0,0,0,0|2,0,0]=4 11676 B14R0.340 C=C(Br)C(=O)NCCCCCCCCC 1626a_100000212291_100009813364 [0,2,0,0,0,0|2,0,0]=4 11677 B14R0.340 C=C(C)C(=O)CCCCCCCCCC 1458a_100000185857_100000210319 [0,2,0,0,0,0|1,0,0]=3 11678 B14R0.340 C=C(C)C(=O)CCCCCCCCCO 1458a_100000185857_100009813782 [0,2,0,0,0,0|2,0,0]=4 11679 B14R0.340 C=C(C)C(=O)NCCCCCCCCC 11a_100000212291_100000185857 [0,2,0,0,0,0|2,0,0]=4 11680 B14R0.340 C=C(C)C(=O)NCCCCCCCCC 1626a_100000212291_100000185857 [0,2,0,0,0,0|2,0,0]=4 11681 B14R0.340 C=C(C)C(C)NCCCCCCCCC 269862a_100000212291_100011216138 [0,2,0,0,0,0|2,0,0]=4 11682 B14R0.340 C=C(Cl)C(=O)NCCCCCCCCC 11a_100000212291_100000039160 [0,2,0,0,0,0|2,0,0]=4 11683 B14R0.340 C=C(Cl)C(=O)NCCCCCCCCC 1626a_100000212291_100000039160 [0,2,0,0,0,0|2,0,0]=4 11684 B14R0.340 C=C(F)C(=O)NCCCCCCCCC 11a_100000212291_100000036797 [0,2,0,0,0,0|2,0,0]=4 11685 B14R0.340 C=C(F)C(=O)NCCCCCCCCC 1626a_100000212291_100000036797 [0,2,0,0,0,0|2,0,0]=4 11686 B14R0.340 C=CCCCCCCCCC(=O)C(O)O 1458a_100000233687_100011933949 [0,2,0,0,0,0|0,0,2]=4 11687 B14R0.340 C=CCCCCCCCCC(=O)[C@@H](C)O 1458a_100000717761_100011933949 [0,2,0,0,0,0|0,0,2]=4 11688 B14R0.340 C=CCCCCCCCCC(=O)[C@H](C)O 1458a_217856618621_100011933949 [0,2,0,0,0,0|0,0,2]=4 11689 B14R0.340 C=CCCCCCCCN[C@@H](C)C(=O)O 269956a_100000743915_100012355270 [0,2,0,0,0,0|0,0,2]=4 11690 B14R0.340 C=CCCCCCCNCC(C)C(=O)O 269956a_100000749485_100011215473 [0,2,0,0,0,0|0,0,2]=4 11691 B14R0.340 C=CCCCCCCNCC(F)C(=O)O 269956a_100000084737_100011215473 [0,2,0,0,0,0|0,0,2]=4 11692 B14R0.340 CC(=O)C(C)COCCCCCCCO 34a_100000032740_100000760002 [0,2,0,0,0,0|2,0,0]=4 11693 B14R0.340 CC(=O)C(C)COCCCCCCCO 7a_100000032740_100000760002 [0,2,0,0,0,0|2,0,0]=4 11694 B14R0.340 CC(=O)C(C)NCCCCCCCCO 2230a_102515433106_100009814033 [0,2,0,0,0,0|2,0,0]=4 11695 B14R0.340 CC(=O)C(C)OCCCCCCCCBr 7a_100009813846_100000179758 [0,2,0,0,0,0|2,0,0]=4 11696 B14R0.340 CC(=O)C(C)OCCCCCCCCCl 7a_100000033203_100000179758 [0,2,0,0,0,0|2,0,0]=4 11697 B14R0.340 CC(=O)C(C)OCCCCCCCCO 34a_100000212229_100000033203 [0,2,0,0,0,0|2,0,0]=4 11698 B14R0.340 CC(=O)C(C)SCCCCCCCCO 62a_100000033203_100009814033 [0,2,0,0,0,0|2,0,0]=4 11699 B14R0.340 CC(=O)C(C)SCCCCCCCCO 62a_100009814033_100000033203 [0,2,0,0,0,0|2,0,0]=4 11700 B14R0.340 CC(C)C(=O)CCCCCCCCCF 1458a_200009909015_100000210206 [0,2,0,0,0,0|2,0,0]=4 11701 B14R0.340 CC(C)C(=O)CCCCCCCCCO 1458a_100000210198_100009813782 [0,2,0,0,0,0|2,0,0]=4 11702 B14R0.340 CC(CNCCCCCCC#N)C(=O)O 269956a_100000749485_100009813337 [0,2,0,0,0,0|1,0,1]=4 11703 B14R0.340 CC(CNCCCCCCCO)C(=O)O 269956a_100000749485_100000760002 [0,2,0,0,0,0|1,0,0]=3 11704 B14R0.340 CC(F)C(=O)CCCCCCCCCO 1458a_100000062450_100009813782 [0,2,0,0,0,0|2,0,0]=4 11705 B14R0.340 CC(NCCCCCCCCO)C(=O)N 2230a_102515433106_100000702099 [0,2,0,0,0,0|2,0,0]=4 11706 B14R0.340 CC(NCCCCCCCCO)C(=O)N 34a_102515433106_100000702099 [0,2,0,0,0,0|2,0,0]=4 11707 B14R0.340 CC(OCCCCCCCCBr)C(=O)N 34a_100009813846_100000702099 [0,2,0,0,0,0|2,0,0]=4 11708 B14R0.340 CC(OCCCCCCCCBr)C(=O)N 7a_100009813846_100000702099 [0,2,0,0,0,0|2,0,0]=4 11709 B14R0.340 CC(OCCCCCCCCCl)C(=O)N 34a_100000033203_100000702099 [0,2,0,0,0,0|2,0,0]=4 11710 B14R0.340 CC(OCCCCCCCCCl)C(=O)N 7a_100000033203_100000702099 [0,2,0,0,0,0|2,0,0]=4 11711 B14R0.340 CC(OCCCCCCCCN)C(=O)N 34a_102515433106_100000702099 [0,2,0,0,0,0|2,0,0]=4 11712 B14R0.340 CC(SCCCCCCCCO)C(=O)N 62a_100000033203_100000702099 [0,2,0,0,0,0|2,0,0]=4 11713 B14R0.340 CC(SCCCCCCCCO)C(=O)N 62a_100000702099_100000033203 [0,2,0,0,0,0|2,0,0]=4 11714 B14R0.340 CCC#CCCCCCCC(=O)C(O)O 1458a_100000233687_200000036426 [0,2,0,0,0,0|0,0,2]=4 11715 B14R0.340 CCC#CCCCCCCC(=O)[C@@H](C)O 1458a_100000717761_200000036426 [0,2,0,0,0,0|0,0,2]=4 11716 B14R0.340 CCC#CCCCCCCC(=O)[C@H](C)O 1458a_217856618621_200000036426 [0,2,0,0,0,0|0,0,2]=4 11717 B14R0.340 CCCCC#CCCCN[C@@H](C)C(=O)O 269956a_100000743915_200000047210 [0,2,0,0,0,0|0,0,2]=4 11718 B14R0.340 CCCCCC#CCNCC(C)C(=O)O 269956a_100000749485_100009816472 [0,2,0,0,0,0|0,0,2]=4 11719 B14R0.340 CCCCCC#CCNCC(F)C(=O)O 269956a_100000084737_100009816472 [0,2,0,0,0,0|0,0,2]=4 11720 B14R0.340 CCCCCCCCCCC(=O)C(C)C 1458a_100000210198_100000210319 [0,2,0,0,0,0|1,0,0]=3 11721 B14R0.340 CCCCCCCCCCC(=O)C(C)C 1458a_100000210375_100000210206 [0,2,0,0,0,0|1,0,0]=3 11722 B14R0.340 CCCCCCCCCCC(=O)C(C)F 1458a_100000062450_100000210319 [0,2,0,0,0,0|1,0,0]=3 11723 B14R0.340 CCCCCCCCCCC(=O)C(O)O 1458a_100000233687_100000210319 [0,2,0,0,0,0|0,0,0]=2 11724 B14R0.340 CCCCCCCCCCC(=O)N(C)C 11a_100102631434_100000210375 [0,2,0,0,0,0|1,0,0]=3 11725 B14R0.340 CCCCCCCCCCC(=O)N(C)C 1626a_100102631434_100000210375 [0,2,0,0,0,0|1,0,0]=3 11726 B14R0.340 CCCCCCCCCCC(=O)N(C)C 240690a_100102631434_100000210375 [0,2,0,0,0,0|1,0,0]=3 11727 B14R0.340 CCCCCCCCCCC(=O)[C@@H](C)O 1458a_100000717761_100000210319 [0,2,0,0,0,0|0,0,0]=2 11728 B14R0.340 CCCCCCCCCCC(=O)[C@H](C)O 1458a_217856618621_100000210319 [0,2,0,0,0,0|0,0,0]=2 11729 B14R0.340 CCCCCCCCCCN(C)C(=O)C 11a_100000207566_100015343762 [0,2,0,0,0,0|1,0,0]=3 11730 B14R0.340 CCCCCCCCCCN(C)C(=O)C 1626a_100000207566_100015343762 [0,2,0,0,0,0|1,0,0]=3 11731 B14R0.340 CCCCCCCCCCN(C)C(=O)C 240690a_100000207566_100015343762 [0,2,0,0,0,0|1,0,0]=3 11732 B14R0.340 CCCCCCCCCCN(C)C(=O)C 527a_100000207566_100103153847 [0,2,0,0,0,0|1,0,0]=3 11733 B14R0.340 CCCCCCCCCNC(=O)C(=O)N 240690a_100000212291_100011215815 [0,2,0,0,0,0|1,0,1]=4 11734 B14R0.340 CCCCCCCCCNC(=O)C(C)C 11a_100000212291_100000210198 [0,2,0,0,0,0|2,0,0]=4 11735 B14R0.340 CCCCCCCCCNC(=O)C(C)C 1626a_100000212291_100000210198 [0,2,0,0,0,0|2,0,0]=4 11736 B14R0.340 CCCCCCCCCNC(=O)C(C)C 240690a_100000212291_100000210198 [0,2,0,0,0,0|2,0,0]=4 11737 B14R0.340 CCCCCCCCCNC(=O)C(C)C 527a_100000212291_100000210198 [0,2,0,0,0,0|2,0,0]=4 11738 B14R0.340 CCCCCCCCCNC(=O)C(C)F 11a_100000212291_100000062450 [0,2,0,0,0,0|2,0,0]=4 11739 B14R0.340 CCCCCCCCCNC(=O)C(C)F 1626a_100000212291_100000062450 [0,2,0,0,0,0|2,0,0]=4 11740 B14R0.340 CCCCCCCCCNC(=O)C(C)F 240690a_100000212291_100000062450 [0,2,0,0,0,0|2,0,0]=4 11741 B14R0.340 CCCCCCCCCNC(=O)C(C)F 527a_100000212291_100000062450 [0,2,0,0,0,0|2,0,0]=4 11742 B14R0.340 CCCCCCCCCNC(=O)C(F)F 11a_100000212291_100000210393 [0,2,0,0,0,0|2,0,0]=4 11743 B14R0.340 CCCCCCCCCNC(=O)C(F)F 1626a_100000212291_100000210393 [0,2,0,0,0,0|2,0,0]=4 11744 B14R0.340 CCCCCCCCCNC(=O)C(F)F 240690a_100000212291_100000210393 [0,2,0,0,0,0|2,0,0]=4 11745 B14R0.340 CCCCCCCCCNC(=O)C(F)F 527a_100000212291_100000210393 [0,2,0,0,0,0|2,0,0]=4 11746 B14R0.340 CCCCCCCCCNC(=O)C(O)O 240690a_100000212291_100000233687 [0,2,0,0,0,0|1,0,0]=3 11747 B14R0.340 CCCCCCCCCNC(=O)N(C)C 2708a_100000212291_100102631434 [0,2,0,0,0,0|2,0,0]=4 11748 B14R0.340 CCCCCCCCCNC(=O)[C@@H](C)O 240690a_100000212291_100000717761 [0,2,0,0,0,0|1,0,0]=3 11749 B14R0.340 CCCCCCCCCNC(=O)[C@H](C)O 1626a_100000212291_217856618621 [0,2,0,0,0,0|1,0,0]=3 11750 B14R0.340 CCCCCCCCCNC(=O)[C@H](C)O 240690a_100000212291_217856618621 [0,2,0,0,0,0|1,0,0]=3 11751 B14R0.340 CCCCCCCCCNC(C)C(=O)C 2230a_100000212291_100009814033 [0,2,0,0,0,0|1,0,0]=3 11752 B14R0.340 CCCCCCCCCNC(C)C(=O)N 2230a_100000212291_100000702099 [0,2,0,0,0,0|1,0,0]=3 11753 B14R0.340 CCCCCCCCCNC(C)C(=O)N 34a_100000212291_100000702099 [0,2,0,0,0,0|1,0,0]=3 11754 B14R0.340 CCCCCCCCCNC(F)C(=O)N 2230a_100000212291_100009813875 [0,2,0,0,0,0|1,0,0]=3 11755 B14R0.340 CCCCCCCCCNC(F)C(=O)N 34a_100000212291_100009813875 [0,2,0,0,0,0|1,0,0]=3 11756 B14R0.340 CCCCCCCCCNC(F)C(=O)[O-] 34a_100000212291_100020610796 [0,2,0,0,0,0|0,0,1]=3 11757 B14R0.340 CCCCCCCCCN[C@@H](C)C(=O)O 269956a_100000743915_100000210670 [0,2,0,0,0,0|0,0,0]=2 11758 B14R0.340 CCCCCCCCCN[C@H](C)C(=O)N 2230a_100000119354_100011214924 [0,2,0,0,0,0|1,0,0]=3 11759 B14R0.340 CCCCCCCCCN[C@H](C)C(=O)N 34a_100000119354_100011214924 [0,2,0,0,0,0|1,0,0]=3 11760 B14R0.340 CCCCCCCCCOC(C)C(=O)C 34a_100000212229_100011214924 [0,2,0,0,0,0|1,0,0]=3 11761 B14R0.340 CCCCCCCCCOC(C)C(=O)C 7a_100000210712_100000179758 [0,2,0,0,0,0|1,0,0]=3 11762 B14R0.340 CCCCCCCCCOC(C)C(=O)N 34a_100000210712_100000702099 [0,2,0,0,0,0|1,0,0]=3 11763 B14R0.340 CCCCCCCCCOC(C)C(=O)N 7a_100000210712_100000702099 [0,2,0,0,0,0|1,0,0]=3 11764 B14R0.340 CCCCCCCCCOC(F)C(=O)N 34a_100000210712_100009813875 [0,2,0,0,0,0|1,0,0]=3 11765 B14R0.340 CCCCCCCCCOC(F)C(=O)N 7a_100000210712_100009813875 [0,2,0,0,0,0|1,0,0]=3 11766 B14R0.340 CCCCCCCCCOC(F)C(=O)[O-] 34a_100000210712_100020610796 [0,2,0,0,0,0|0,0,1]=3 11767 B14R0.340 CCCCCCCCCO[C@@H](C)C(=O)[O-] 7a_217856618621_100000210328 [0,2,0,0,0,0|0,0,1]=3 11768 B14R0.340 CCCCCCCCCO[C@H](C)C(=O)N 34a_100000731257_100011214924 [0,2,0,0,0,0|1,0,0]=3 11769 B14R0.340 CCCCCCCCCO[C@H](C)C(=O)N 7a_100000731257_100000210328 [0,2,0,0,0,0|1,0,0]=3 11770 B14R0.340 CCCCCCCCCSC(C)C(=O)C 62a_100009814033_100000210670 [0,2,0,0,0,0|1,0,0]=3 11771 B14R0.340 CCCCCCCCCSC(C)C(=O)N 62a_100000702099_100000210670 [0,2,0,0,0,0|1,0,0]=3 11772 B14R0.340 CCCCCCCCCSC(F)C(=O)N 62a_100009813875_100000210670 [0,2,0,0,0,0|1,0,0]=3 11773 B14R0.340 CCCCCCCCCSC(F)C(=O)[O-] 62a_100020610796_100000210670 [0,2,0,0,0,0|0,0,1]=3 11774 B14R0.340 CCCCCCCCNCC(=O)C(=O)C 34a_100000229939_100011261029 [0,2,0,0,0,0|1,0,1]=4 11775 B14R0.340 CCCCCCCCNCC(=O)C(C)C 2230a_100000229939_100000753385 [0,2,0,0,0,0|2,0,0]=4 11776 B14R0.340 CCCCCCCCNCC(=O)C(C)C 34a_100000229939_100000753385 [0,2,0,0,0,0|2,0,0]=4 11777 B14R0.340 CCCCCCCCNCC(=O)N(C)C 2230a_100000229939_100000185267 [0,2,0,0,0,0|2,0,0]=4 11778 B14R0.340 CCCCCCCCNCC(=O)N(C)C 2230a_100015183351_100000210759 [0,2,0,0,0,0|2,0,0]=4 11779 B14R0.340 CCCCCCCCNCC(=O)N(C)C 34a_100000229939_100000692301 [0,2,0,0,0,0|2,0,0]=4 11780 B14R0.340 CCCCCCCCNCC(C)C(=O)O 269956a_100000749485_100000210759 [0,2,0,0,0,0|0,0,0]=2 11781 B14R0.340 CCCCCCCCNCC(F)C(=O)O 269956a_100000084737_100000210759 [0,2,0,0,0,0|0,0,0]=2 11782 B14R0.340 CCCCCCCCOCC(=O)C(=O)C 34a_100000210232_100011261029 [0,2,0,0,0,0|1,0,1]=4 11783 B14R0.340 CCCCCCCCOCC(=O)C(C)C 1458a_100000759886_100000210206 [0,2,0,0,0,0|2,0,0]=4 11784 B14R0.340 CCCCCCCCOCC(=O)C(C)C 34a_100000210232_100000753385 [0,2,0,0,0,0|2,0,0]=4 11785 B14R0.340 CCCCCCCCOCC(=O)C(C)C 7a_100000210232_100000753385 [0,2,0,0,0,0|2,0,0]=4 11786 B14R0.340 CCCCCCCCOCC(=O)N(C)C 11a_100102631434_100000759886 [0,2,0,0,0,0|2,0,0]=4 11787 B14R0.340 CCCCCCCCOCC(=O)N(C)C 1626a_100102631434_100000759886 [0,2,0,0,0,0|2,0,0]=4 11788 B14R0.340 CCCCCCCCOCC(=O)N(C)C 240690a_100102631434_100000759886 [0,2,0,0,0,0|2,0,0]=4 11789 B14R0.340 CCCCCCCCOCC(=O)N(C)C 34a_100000210232_100000692301 [0,2,0,0,0,0|2,0,0]=4 11790 B14R0.340 CCCCCCCCOCC(=O)N(C)C 527a_100102631434_100000759886 [0,2,0,0,0,0|2,0,0]=4 11791 B14R0.340 CCCCCCCCOCC(=O)N(C)C 7a_100000210232_100000692301 [0,2,0,0,0,0|2,0,0]=4 11792 B14R0.340 CCCCCCCCOCC(C)C(=O)C 34a_100000032740_100000210759 [0,2,0,0,0,0|1,0,0]=3 11793 B14R0.340 CCCCCCCCOCC(C)C(=O)C 7a_100000032740_100000210759 [0,2,0,0,0,0|1,0,0]=3 11794 B14R0.340 CCCCCCCCOCC(C)[N+](=O)[O-] 34a_100000039676_100000210759 [0,2,0,0,0,0|1,0,1]=4 11795 B14R0.340 CCCCCCCCOCC(C)[N+](=O)[O-] 7a_100000039676_100000210759 [0,2,0,0,0,0|1,0,1]=4 11796 B14R0.340 CCCCCCCCOC[C@H](N)C(=O)N 34a_100000729942_100000210759 [0,2,0,0,0,0|1,0,0]=3 11797 B14R0.340 CCCCCCCCSCC(=O)C(=O)C 62a_100000210759_100011261029 [0,2,0,0,0,0|1,0,1]=4 11798 B14R0.340 CCCCCCCCSCC(=O)C(=O)C 62a_100011261029_100000210317 [0,2,0,0,0,0|1,0,1]=4 11799 B14R0.340 CCCCCCCCSCC(=O)C(C)C 62a_100000210759_100000753385 [0,2,0,0,0,0|2,0,0]=4 11800 B14R0.340 CCCCCCCCSCC(=O)C(C)C 62a_100000753385_100000210317 [0,2,0,0,0,0|2,0,0]=4 11801 B14R0.340 CCCCCCCCSCC(=O)N(C)C 62a_100000210759_100000692301 [0,2,0,0,0,0|2,0,0]=4 11802 B14R0.340 CCCCCCCCSCC(=O)N(C)C 62a_100000692301_100000210317 [0,2,0,0,0,0|2,0,0]=4 11803 B14R0.340 CCCCCCCNCCC(=O)N(C)C 2230a_100000229938_100000737620 [0,2,0,0,0,0|2,0,0]=4 11804 B14R0.340 CCCCCCCNCCC(=O)N(C)C 2230a_100000738053_100000210681 [0,2,0,0,0,0|2,0,0]=4 11805 B14R0.340 CCCCCCCOCCC(=O)N(C)C 34a_200000747469_100000210614 [0,2,0,0,0,0|2,0,0]=4 11806 B14R0.340 CCCCCCCOCCC(=O)N(C)C 7a_100000210272_100000737620 [0,2,0,0,0,0|2,0,0]=4 11807 B14R0.340 CCCCCCCSCCC(=O)N(C)C 62a_100000210614_100000737620 [0,2,0,0,0,0|2,0,0]=4 11808 B14R0.340 CCCCCCCSCCC(=O)N(C)C 62a_100000737620_100000210316 [0,2,0,0,0,0|2,0,0]=4 11809 B14R0.340 CCCCCCNCCCC(=O)N(C)C 2230a_100000210581_100000737642 [0,2,0,0,0,0|2,0,0]=4 11810 B14R0.340 CCCCCCNCCCC(=O)N(C)C 2230a_200000744827_100000210314 [0,2,0,0,0,0|2,0,0]=4 11811 B14R0.340 CCCCCCOCCCC(=O)N(C)C 7a_100000210259_100000737642 [0,2,0,0,0,0|2,0,0]=4 11812 B14R0.340 CCCCCCOCCOC(C)C(=O)C 7a_100000691444_100000179758 [0,2,0,0,0,0|2,0,0]=4 11813 B14R0.340 CCCCCCOCCOC(C)C(=O)N 34a_100000691444_100000702099 [0,2,0,0,0,0|2,0,0]=4 11814 B14R0.340 CCCCCCOCCOC(C)C(=O)N 7a_100000691444_100000702099 [0,2,0,0,0,0|2,0,0]=4 11815 B14R0.340 CCCCCCOCCOC(F)C(=O)N 34a_100000691444_100009813875 [0,2,0,0,0,0|2,0,0]=4 11816 B14R0.340 CCCCCCOCCOC(F)C(=O)N 7a_100000691444_100009813875 [0,2,0,0,0,0|2,0,0]=4 11817 B14R0.340 CCCCCCOCCOC(F)C(=O)[O-] 34a_100000691444_100020610796 [0,2,0,0,0,0|1,0,1]=4 11818 B14R0.340 CCCCCCSCCCC(=O)N(C)C 62a_100000210314_100000737642 [0,2,0,0,0,0|2,0,0]=4 11819 B14R0.340 CCCCCCSCCCC(=O)N(C)C 62a_100000737642_100000210757 [0,2,0,0,0,0|2,0,0]=4 11820 B14R0.340 CCCCCOCCCCC(=O)N(C)C 34a_100000210253_100000752486 [0,2,0,0,0,0|2,0,0]=4 11821 B14R0.340 CCCCCOCCCCC(=O)N(C)C 7a_100000210253_100000752486 [0,2,0,0,0,0|2,0,0]=4 11822 B14R0.340 CCCCCSCCCCC(=O)N(C)C 62a_100000210326_100000752486 [0,2,0,0,0,0|2,0,0]=4 11823 B14R0.340 CCCCCSCCCCC(=O)N(C)C 62a_100000752486_100000210326 [0,2,0,0,0,0|2,0,0]=4 11824 B14R0.340 CCCCNCCCCOC(C)C(=O)N 34a_200011216965_100000702099 [0,2,0,0,0,0|2,0,0]=4 11825 B14R0.340 CCCCNCCCCOC(F)C(=O)N 34a_200011216965_100009813875 [0,2,0,0,0,0|2,0,0]=4 11826 B14R0.340 CCCCNCCCCOC(F)C(=O)[O-] 34a_200011216965_100020610796 [0,2,0,0,0,0|1,0,1]=4 11827 B14R0.340 CCCCOCCCCOC(C)C(=O)C 7a_200000760531_100000179758 [0,2,0,0,0,0|2,0,0]=4 11828 B14R0.340 CCCCOCCCCOC(C)C(=O)N 34a_200000760531_100000702099 [0,2,0,0,0,0|2,0,0]=4 11829 B14R0.340 CCCCOCCCCOC(C)C(=O)N 7a_200000760531_100000702099 [0,2,0,0,0,0|2,0,0]=4 11830 B14R0.340 CCCCOCCCCOC(F)C(=O)N 34a_200000760531_100009813875 [0,2,0,0,0,0|2,0,0]=4 11831 B14R0.340 CCCCOCCCCOC(F)C(=O)N 7a_200000760531_100009813875 [0,2,0,0,0,0|2,0,0]=4 11832 B14R0.340 CCCCOCCCCOC(F)C(=O)[O-] 34a_200000760531_100020610796 [0,2,0,0,0,0|1,0,1]=4 11833 B14R0.340 CCOCCOCCNCC(C)C(=O)O 269956a_100000749485_100011211534 [0,2,0,0,0,0|2,0,0]=4 11834 B14R0.340 CCOCCOCCNCC(F)C(=O)O 269956a_100000084737_100011211534 [0,2,0,0,0,0|2,0,0]=4 11835 B14R0.340 CN(C)C(=O)CCCCCCCCCF 11a_100102631434_200009909015 [0,2,0,0,0,0|2,0,0]=4 11836 B14R0.340 CN(C)C(=O)CCCCCCCCCF 240690a_100102631434_200009909015 [0,2,0,0,0,0|2,0,0]=4 11837 B14R0.340 CN(C)C(=O)CCCCCCCCCF 527a_100102631434_200009909015 [0,2,0,0,0,0|2,0,0]=4 11838 B14R0.340 CN(C)C(=O)CCCCCCCCCO 240690a_100102631434_100000032657 [0,2,0,0,0,0|2,0,0]=4 11839 B14R0.340 COCCCCCCNCC(C)C(=O)O 269956a_100000749485_100011998445 [0,2,0,0,0,0|1,0,0]=3 11840 B14R0.340 COCCCCCCNCC(F)C(=O)O 269956a_100000084737_100011998445 [0,2,0,0,0,0|1,0,0]=3 11841 B14R0.340 COCCCCCCOCC(C)C(=O)C 34a_100000032740_100011998445 [0,2,0,0,0,0|2,0,0]=4 11842 B14R0.340 COCCCCCCOCC(C)C(=O)C 7a_100000032740_100011998445 [0,2,0,0,0,0|2,0,0]=4 11843 B14R0.340 COCCCCCCOC[C@H](N)C(=O)N 34a_100000729942_100011998445 [0,2,0,0,0,0|2,0,0]=4 11844 B14R0.340 COCCOCCCNCC(C)C(=O)O 269956a_100000749485_100011216529 [0,2,0,0,0,0|2,0,0]=4 11845 B14R0.340 COCCOCCCNCC(F)C(=O)O 269956a_100000084737_100011216529 [0,2,0,0,0,0|2,0,0]=4 11846 B14R0.340 C[C@@H](NCCCCCCCCO)C(=O)N 2230a_100000119354_100000033203 [0,2,0,0,0,0|2,0,0]=4 11847 B14R0.340 C[C@@H](NCCCCCCCCO)C(=O)N 34a_100000119354_100000033203 [0,2,0,0,0,0|2,0,0]=4 11848 B14R0.340 C[C@@H](O)C(=O)CCCCCCCCCO 1458a_100000717761_100009813782 [0,2,0,0,0,0|1,0,0]=3 11849 B14R0.340 C[C@@H](O)C(=O)NCCCCCCCCO 240690a_102515433106_100000717761 [0,2,0,0,0,0|2,0,0]=4 11850 B14R0.340 C[C@@H](OCCCCCCCCO)C(=O)N 34a_100000731257_100000033203 [0,2,0,0,0,0|2,0,0]=4 11851 B14R0.340 C[C@@H](OCCCCCCCCO)C(=O)N 7a_100000731257_100000033203 [0,2,0,0,0,0|2,0,0]=4 11852 B14R0.340 C[C@H](NCCCCCCCCO)C(=O)O 269956a_100000743915_100000033203 [0,2,0,0,0,0|1,0,0]=3 11853 B14R0.340 C[C@H](O)C(=O)CCCCCCCCCO 1458a_217856618621_100009813782 [0,2,0,0,0,0|1,0,0]=3 11854 B14R0.340 C[C@H](O)C(=O)NCCCCCCCCO 240690a_102515433106_217856618621 [0,2,0,0,0,0|2,0,0]=4 11855 B14R0.340 C[C@H](OCCCCCCCCO)C(=O)[O-] 7a_217856618621_100000033203 [0,2,0,0,0,0|1,0,1]=4 11856 B14R0.340 N#CCCCCCCNCC(F)C(=O)O 269956a_100000084737_100009813337 [0,2,0,0,0,0|1,0,1]=4 11857 B14R0.340 NC(=O)C(F)NCCCCCCCCO 2230a_102515433106_100009813875 [0,2,0,0,0,0|2,0,0]=4 11858 B14R0.340 NC(=O)C(F)NCCCCCCCCO 34a_102515433106_100009813875 [0,2,0,0,0,0|2,0,0]=4 11859 B14R0.340 NC(=O)C(F)OCCCCCCCCBr 34a_100009813846_100009813875 [0,2,0,0,0,0|2,0,0]=4 11860 B14R0.340 NC(=O)C(F)OCCCCCCCCBr 7a_100009813846_100009813875 [0,2,0,0,0,0|2,0,0]=4 11861 B14R0.340 NC(=O)C(F)OCCCCCCCCCl 34a_100000033203_100009813875 [0,2,0,0,0,0|2,0,0]=4 11862 B14R0.340 NC(=O)C(F)OCCCCCCCCCl 7a_100000033203_100009813875 [0,2,0,0,0,0|2,0,0]=4 11863 B14R0.340 NC(=O)C(F)SCCCCCCCCO 62a_100000033203_100009813875 [0,2,0,0,0,0|2,0,0]=4 11864 B14R0.340 NC(=O)C(F)SCCCCCCCCO 62a_100009813875_100000033203 [0,2,0,0,0,0|2,0,0]=4 11865 B14R0.340 NC(=O)[C@@H](N)COCCCCCCCO 34a_100000729942_100000760002 [0,2,0,0,0,0|2,0,0]=4 11866 B14R0.340 NCCCCCCCCOC(F)C(=O)N 34a_102515433106_100009813875 [0,2,0,0,0,0|2,0,0]=4 11867 B14R0.340 NCCCCCCCCOC(F)C(=O)[O-] 34a_102515433106_100020610796 [0,2,0,0,0,0|1,0,1]=4 11868 B14R0.340 O=C(CCCCCCCCCO)C(O)O 1458a_100000233687_100009813782 [0,2,0,0,0,0|1,0,0]=3 11869 B14R0.340 O=C(NCCCCCCCCO)C(O)O 240690a_102515433106_100000233687 [0,2,0,0,0,0|2,0,0]=4 11870 B14R0.340 O=C(O)C(F)CNCCCCCCCO 269956a_100000084737_100000760002 [0,2,0,0,0,0|1,0,0]=3 11871 B14R0.340 O=C([O-])C(F)NCCCCCCCCO 34a_102515433106_100020610796 [0,2,0,0,0,0|1,0,1]=4 11872 B14R0.340 O=C([O-])C(F)OCCCCCCCCBr 34a_100009813846_100020610796 [0,2,0,0,0,0|1,0,1]=4 11873 B14R0.340 O=C([O-])C(F)OCCCCCCCCCl 34a_100000033203_100020610796 [0,2,0,0,0,0|1,0,1]=4 11874 B14R0.340 O=C([O-])C(F)SCCCCCCCCO 62a_100000033203_100020610796 [0,2,0,0,0,0|1,0,1]=4 11875 B14R0.340 O=C([O-])C(F)SCCCCCCCCO 62a_100020610796_100000033203 [0,2,0,0,0,0|1,0,1]=4 11876 B14R0.344 C=C(C)CCC(=O)CCCCCCCC 1458a_100000210188_100000730704 [0,2,0,0,0,0|2,0,0]=4 11877 B14R0.344 C=C(C)CCC(=O)CCCCCCCC 1458a_200000688413_100000210759 [0,2,0,0,0,0|2,0,0]=4 11878 B14R0.344 C=C(C)CCC(C)NCCCCCCC 270004a_100000229938_100011215600 [0,2,0,0,0,0|2,0,0]=4 11879 B14R0.344 C=C(C)CCN(C)CCCCCCCC 2230a_100000207567_100000730704 [0,2,0,0,0,0|2,0,0]=4 11880 B14R0.344 C=C(C)CCN(C)CCCCCCCC 269982a_100000207567_100000730704 [0,2,0,0,0,0|2,0,0]=4 11881 B14R0.344 C=C(C)COC(C)CCCCCCCC 34a_100000210740_100000748629 [0,2,0,0,0,0|2,0,0]=4 11882 B14R0.344 C=C(C)COC(C)CCCCCCCC 7a_100000210740_100000748629 [0,2,0,0,0,0|2,0,0]=4 11883 B14R0.344 C=C(F)COC(C)CCCCCCCC 34a_100000210740_100009893438 [0,2,0,0,0,0|2,0,0]=4 11884 B14R0.344 C=C(F)COC(C)CCCCCCCC 7a_100000210740_100000042424 [0,2,0,0,0,0|2,0,0]=4 11885 B14R0.344 CCCCCCCCC(=O)CCC(=O)N 1458a_100011215257_100000210759 [0,2,0,0,0,0|1,0,0]=3 11886 B14R0.344 CCCCCCCCC(=O)CCC(C)O 1458a_100000210188_100012276601 [0,2,0,0,0,0|1,0,1]=4 11887 B14R0.344 CCCCCCCCC(=O)CC[N+](=O)[O-] 1458a_200000064761_100000210759 [0,2,0,0,0,0|1,0,1]=4 11888 B14R0.344 CCCCCCCCC(=O)CNC(=O)C 1458a_100000194580_100000210759 [0,2,0,0,0,0|1,0,1]=4 11889 B14R0.344 CCCCCCCCC(=O)CNC(=O)N 1458a_100000184981_100000210759 [0,2,0,0,0,0|1,0,1]=4 11890 B14R0.344 CCCCCCCCC(=O)COC(=O)C 1458a_100000183556_100000210759 [0,2,0,0,0,0|1,0,1]=4 11891 B14R0.344 CCCCCCCCC(=O)CSC(=O)C 1458a_100000049016_100000210759 [0,2,0,0,0,0|1,0,1]=4 11892 B14R0.344 CCCCCCCCC(=O)NCC(=O)N 11a_100000711301_100000210188 [0,2,0,0,0,0|1,0,1]=4 11893 B14R0.344 CCCCCCCCC(=O)NCC(=O)N 240690a_100000711301_100000210188 [0,2,0,0,0,0|1,0,1]=4 11894 B14R0.344 CCCCCCCCC(=O)NCC(=O)N 527a_100000711301_100000210188 [0,2,0,0,0,0|1,0,1]=4 11895 B14R0.344 CCCCCCCCC(C)NCC(C)O 270004a_100000210904_100011216694 [0,2,0,0,0,0|1,0,1]=4 11896 B14R0.344 CCCCCCCCC(C)OCC(=O)N 34a_100000210740_100000187820 [0,2,0,0,0,0|1,0,0]=3 11897 B14R0.344 CCCCCCCCC(C)OCC(=O)N 7a_100000210740_100000187820 [0,2,0,0,0,0|1,0,0]=3 11898 B14R0.344 CCCCCCCCC(C)OCC(=O)[O-] 34a_100000210740_100020667443 [0,2,0,0,0,0|0,0,1]=3 11899 B14R0.344 CCCCCCCCC(C)OCC(C)O 34a_100000210740_100011218427 [0,2,0,0,0,0|1,0,1]=4 11900 B14R0.344 CCCCCCCCC(C)OCC(C)O 7a_100000210740_100011218427 [0,2,0,0,0,0|1,0,1]=4 11901 B14R0.344 CCCCCCCCC(C)OC[C@@H](C)O 34a_100000210740_100009817552 [0,2,0,0,0,0|1,0,1]=4 11902 B14R0.344 CCCCCCCCC(C)OC[C@@H](C)O 7a_100000210740_100009817552 [0,2,0,0,0,0|1,0,1]=4 11903 B14R0.344 CCCCCCCCC(C)OC[N+](=O)[O-] 34a_100000210740_100000761209 [0,2,0,0,0,0|1,0,1]=4 11904 B14R0.344 CCCCCCCCN(C)CCC(=O)C 269982a_100000207567_100000053229 [0,2,0,0,0,0|1,0,0]=3 11905 B14R0.344 CCCCCCCCN(C)CCC(=O)N 2230a_100000207567_100000744528 [0,2,0,0,0,0|1,0,0]=3 11906 B14R0.344 CCCCCCCCN(C)CCC(=O)N 2230a_100000730477_100000210759 [0,2,0,0,0,0|1,0,0]=3 11907 B14R0.344 CCCCCCCCN(C)CCC(=O)N 269982a_100000207567_100000744528 [0,2,0,0,0,0|1,0,0]=3 11908 B14R0.344 CCCCCCCCN(C)CCC(C)O 2230a_100000207567_100012276601 [0,2,0,0,0,0|1,0,1]=4 11909 B14R0.344 CCCCCCCCN(C)CCC(C)O 269982a_100000207567_100012276601 [0,2,0,0,0,0|1,0,1]=4 11910 B14R0.344 CCCCCCCCN(C)COC(=O)C 269982a_100000207567_100000076356 [0,2,0,0,0,0|2,0,0]=4 11911 B14R0.344 CCCCCCCNC(=O)CCC(=O)N 240690a_100000229938_100011215257 [0,2,0,0,0,0|1,0,1]=4 11912 B14R0.344 CCCCCCCNC(=O)CCC(=O)N 527a_100000229938_100011215257 [0,2,0,0,0,0|1,0,1]=4 11913 B14R0.344 CCCCCCCNC(C)COC(=O)C 270004a_100000229938_100000000629 [0,2,0,0,0,0|2,0,0]=4 11914 B14R0.344 CCCCCCNCC(=O)NCC(=O)O 269956a_100000183575_100000210757 [0,2,0,0,0,0|1,0,1]=4 11915 B14R0.344 CCCCCCNCC(C)CSC(=O)C 2230a_100000210581_200000116872 [0,2,0,0,0,0|2,0,0]=4 11916 B14R0.344 CCCCCCOCC(C)CSC(=O)C 34a_100000210259_200000116872 [0,2,0,0,0,0|2,0,0]=4 11917 B14R0.344 CCCCCCOCC(C)CSC(=O)C 7a_100000210259_200000116872 [0,2,0,0,0,0|2,0,0]=4 11918 B14R0.344 CCCCCCOCC(O)COC(=O)C 34a_100000210259_200000139349 [0,2,0,0,0,0|2,0,0]=4 11919 B14R0.344 CCCCCCOCC(O)COC(=O)C 7a_100000210259_200000139349 [0,2,0,0,0,0|2,0,0]=4 11920 B14R0.344 CCCCCCSCC(C)CSC(=O)C 62a_100000210314_200000116872 [0,2,0,0,0,0|2,0,0]=4 11921 B14R0.344 CCCCCCSCC(C)CSC(=O)C 62a_200000116872_100000210757 [0,2,0,0,0,0|2,0,0]=4 11922 B14R0.344 CCCCCCSCC(O)COC(=O)C 62a_100000210314_200000139349 [0,2,0,0,0,0|2,0,0]=4 11923 B14R0.344 CCCCCCSCC(O)COC(=O)C 62a_200000139349_100000210757 [0,2,0,0,0,0|2,0,0]=4 11924 B14R0.344 CCCCCNCCC(=O)NCC(=O)O 269956a_100000722369_100000210326 [0,2,0,0,0,0|1,0,1]=4 11925 B14R0.344 CN(CCCCCCCO)CCC(=O)N 2230a_100000730477_100000760002 [0,2,0,0,0,0|2,0,0]=4 11926 B14R0.344 COCCCCCCC(=O)CCC(=O)N 1458a_100011215257_100011998445 [0,2,0,0,0,0|1,0,1]=4 11927 B14R0.344 COCCCCCCN(C)CCC(=O)N 2230a_100000730477_100011998445 [0,2,0,0,0,0|2,0,0]=4 11928 B14R0.344 NC(=O)CCC(=O)CCCCCCCO 1458a_100011215257_100000760002 [0,2,0,0,0,0|1,0,1]=4 11929 B14R0.391 C#CCCCCCCCN(C)CC(=O)O 269956a_100000746989_100153394163 [0,2,0,0,0,0|0,0,2]=4 11930 B14R0.391 C#CCCCCCNCC(O)CC(=O)O 269956a_100011218706_100012094781 [0,2,0,0,0,0|0,0,2]=4 11931 B14R0.391 C=C(C)CC(=O)CCCCCCCCC 1458a_100000210558_100000748629 [0,2,0,0,0,0|2,0,0]=4 11932 B14R0.391 C=C(C)CN(C)CCCCCCCCC 2230a_100000225649_100011214924 [0,2,0,0,0,0|2,0,0]=4 11933 B14R0.391 C=C(C)CN(C)CCCCCCCCC 2230a_100000232482_100000748629 [0,2,0,0,0,0|2,0,0]=4 11934 B14R0.391 C=C(C)CN(C)CCCCCCCCC 269982a_100000225649_100000210670 [0,2,0,0,0,0|2,0,0]=4 11935 B14R0.391 C=C(C)CN(C)CCCCCCCCC 269982a_100000232482_100000748629 [0,2,0,0,0,0|2,0,0]=4 11936 B14R0.391 C=C(F)CC(=O)CCCCCCCCC 1458a_100000210558_100009893438 [0,2,0,0,0,0|2,0,0]=4 11937 B14R0.391 C=C(F)CN(C)CCCCCCCCC 2230a_100000232482_100009893438 [0,2,0,0,0,0|2,0,0]=4 11938 B14R0.391 C=C(F)CN(C)CCCCCCCCC 269982a_100000232482_100009893438 [0,2,0,0,0,0|2,0,0]=4 11939 B14R0.391 C=CCCCCCCCN(C)CC(=O)O 269956a_100000746989_100012355270 [0,2,0,0,0,0|0,0,2]=4 11940 B14R0.391 C=CCCCCCNCC(O)CC(=O)O 269956a_100011218706_100000700193 [0,2,0,0,0,0|0,0,2]=4 11941 B14R0.391 CCCCC#CCCCN(C)CC(=O)O 269956a_100000746989_200000047210 [0,2,0,0,0,0|0,0,2]=4 11942 B14R0.391 CCCCCCCCCC(=O)CC(=O)N 1458a_100000210558_100000187820 [0,2,0,0,0,0|1,0,0]=3 11943 B14R0.391 CCCCCCCCCC(=O)CC(=O)N 1458a_100134613110_100000210670 [0,2,0,0,0,0|1,0,0]=3 11944 B14R0.391 CCCCCCCCCC(=O)CC(=O)[O-] 1458a_100000210558_100020667443 [0,2,0,0,0,0|0,0,1]=3 11945 B14R0.391 CCCCCCCCCC(=O)CC(C)O 1458a_100000210558_100011218427 [0,2,0,0,0,0|1,0,1]=4 11946 B14R0.391 CCCCCCCCCC(=O)C[C@@H](C)O 1458a_100011933948_100000210670 [0,2,0,0,0,0|1,0,1]=4 11947 B14R0.391 CCCCCCCCCC(=O)C[N+](=O)[O-] 1458a_100000210558_100000761209 [0,2,0,0,0,0|1,0,1]=4 11948 B14R0.391 CCCCCCCCCN(C)CC(=O)N 2230a_100000232482_100000747473 [0,2,0,0,0,0|1,0,0]=3 11949 B14R0.391 CCCCCCCCCN(C)CC(=O)N 2230a_100000739694_100011214924 [0,2,0,0,0,0|1,0,0]=3 11950 B14R0.391 CCCCCCCCCN(C)CC(=O)N 269982a_100000232482_100000187820 [0,2,0,0,0,0|1,0,0]=3 11951 B14R0.391 CCCCCCCCCN(C)CC(=O)O 269956a_100000746989_100000210670 [0,2,0,0,0,0|0,0,0]=2 11952 B14R0.391 CCCCCCCCCN(C)CC(=O)[O-] 269982a_100000232482_100020667443 [0,2,0,0,0,0|0,0,1]=3 11953 B14R0.391 CCCCCCCCCN(C)CC(C)O 2230a_100000227577_100011214924 [0,2,0,0,0,0|1,0,1]=4 11954 B14R0.391 CCCCCCCCCN(C)CC(C)O 2230a_100000232482_100011218427 [0,2,0,0,0,0|1,0,1]=4 11955 B14R0.391 CCCCCCCCCN(C)CC(C)O 269982a_100000227577_100000210670 [0,2,0,0,0,0|1,0,1]=4 11956 B14R0.391 CCCCCCCCCN(C)CC(C)O 269982a_100000232482_100011218427 [0,2,0,0,0,0|1,0,1]=4 11957 B14R0.391 CCCCCCCCCN(C)C[C@@H](C)O 2230a_100000232482_100009817552 [0,2,0,0,0,0|1,0,1]=4 11958 B14R0.391 CCCCCCCCCN(C)C[C@@H](C)O 269982a_100000232482_100009817552 [0,2,0,0,0,0|1,0,1]=4 11959 B14R0.391 CCCCCCCCCN(C)C[N+](=O)[O-] 269982a_100000232482_100000761209 [0,2,0,0,0,0|1,0,1]=4 11960 B14R0.391 CCCCCCCCNC(=O)CC(=O)N 240690a_100000229939_100134613110 [0,2,0,0,0,0|1,0,1]=4 11961 B14R0.391 CCCCCCCCNC(=O)CC(=O)N 527a_100000229939_100134613110 [0,2,0,0,0,0|1,0,1]=4 11962 B14R0.391 CCCCCCCCSC(C)OC(=O)C 62a_100000210759_100009818208 [0,2,0,0,0,0|2,0,0]=4 11963 B14R0.391 CCCCCCCCSC(C)OC(=O)C 62a_100009818208_100000210317 [0,2,0,0,0,0|2,0,0]=4 11964 B14R0.391 CCCCCCCNCC(O)CC(=O)O 269956a_100011218706_100000210614 [0,2,0,0,0,0|0,0,0]=2 11965 B14R0.391 CCCCOCCNCC(O)CC(=O)O 269956a_100011218706_100000743108 [0,2,0,0,0,0|1,0,0]=3 11966 B14R0.391 CN(CCCCCCCCO)CC(=O)N 2230a_100000739694_100000033203 [0,2,0,0,0,0|2,0,0]=4 11967 B14R0.391 CN(CCCCCCCCO)CC(=O)O 269956a_100000746989_100000033203 [0,2,0,0,0,0|1,0,0]=3 11968 B14R0.391 COCCOCCNCC(O)CC(=O)O 269956a_100011218706_100000695917 [0,2,0,0,0,0|2,0,0]=4 11969 B14R0.391 N#CCCCCCNCC(O)CC(=O)O 269956a_100011218706_100009813376 [0,2,0,0,0,0|1,0,1]=4 11970 B14R0.391 NC(=O)CC(=O)CCCCCCCCO 1458a_100134613110_100000033203 [0,2,0,0,0,0|1,0,1]=4 11971 B14R0.391 O=C(O)CC(O)CNCCCCCCF 269956a_100011218706_100015922095 [0,2,0,0,0,0|1,0,0]=3 11972 B14R0.391 O=C(O)CC(O)CNCCCCCCO 269956a_100011218706_100000766143 [0,2,0,0,0,0|1,0,0]=3 11973 B14R0.391 O=CCCCCCNCC(O)CC(=O)O 269956a_100011218706_100000139337 [0,2,0,0,0,0|1,0,1]=4 11974 B14R0.394 C#CCCCCCCCCOCC(=O)N 34a_100000065265_100000187820 [0,2,0,0,0,0|1,0,1]=4 11975 B14R0.394 C#CCCCCCCCCOCC(=O)N 7a_100000065265_100000187820 [0,2,0,0,0,0|1,0,1]=4 11976 B14R0.394 C#CCCCCCCCCOCC(=O)[O-] 34a_100000065265_100020667443 [0,2,0,0,0,0|0,0,2]=4 11977 B14R0.394 C#CCCCCCCCNOCC(=O)O 269956a_100000106656_100153394163 [0,2,0,0,0,0|0,0,2]=4 11978 B14R0.394 C#CCCCCCCCOCCC(=O)C 34a_100000759926_100153394163 [0,2,0,0,0,0|1,0,1]=4 11979 B14R0.394 C#CCCCCCCCOCCC(=O)C 7a_100000054614_100000053229 [0,2,0,0,0,0|1,0,1]=4 11980 B14R0.394 C#CCCCCCCCOCCC(=O)C 7a_100000759926_100153394163 [0,2,0,0,0,0|1,0,1]=4 11981 B14R0.394 C#CCCCCCCCOCCC(=O)N 34a_100000054614_100000731001 [0,2,0,0,0,0|1,0,1]=4 11982 B14R0.394 C#CCCCCCCCOCCC(=O)N 34a_100000757172_100153394163 [0,2,0,0,0,0|1,0,1]=4 11983 B14R0.394 C#CCCCCCCCOCCC(=O)N 7a_100000054614_100000744528 [0,2,0,0,0,0|1,0,1]=4 11984 B14R0.394 C#CCCCCCCCOCCC(=O)N 7a_100000757172_100153394163 [0,2,0,0,0,0|1,0,1]=4 11985 B14R0.394 C#CCCCCCCCSCCC(=O)C 62a_100000053229_100153394163 [0,2,0,0,0,0|1,0,1]=4 11986 B14R0.394 C#CCCCCCCCSCCC(=O)C 62a_100153394163_100000053229 [0,2,0,0,0,0|1,0,1]=4 11987 B14R0.394 C#CCCCCCCCSCCC(=O)N 62a_100000744528_100153394163 [0,2,0,0,0,0|1,0,1]=4 11988 B14R0.394 C#CCCCCCCCSCCC(=O)N 62a_100153394163_100000744528 [0,2,0,0,0,0|1,0,1]=4 11989 B14R0.394 C#CCCCCCCNCCCC(=O)N 34a_100000739312_100012276617 [0,2,0,0,0,0|1,0,1]=4 11990 B14R0.394 C#CCCCCCCOCCCC(=O)C 34a_100000759063_100012276617 [0,2,0,0,0,0|1,0,1]=4 11991 B14R0.394 C#CCCCCCCOCCCC(=O)C 34a_100011217361_100000685027 [0,2,0,0,0,0|1,0,1]=4 11992 B14R0.394 C#CCCCCCCOCCCC(=O)C 7a_100000759063_100012276617 [0,2,0,0,0,0|1,0,1]=4 11993 B14R0.394 C#CCCCCCCOCCCC(=O)C 7a_100011217361_100011215641 [0,2,0,0,0,0|1,0,1]=4 11994 B14R0.394 C#CCCCCCCOCCCC(=O)N 34a_100011217361_100102525003 [0,2,0,0,0,0|1,0,1]=4 11995 B14R0.394 C#CCCCCCCOCCCC(=O)N 7a_100011217361_100102525003 [0,2,0,0,0,0|1,0,1]=4 11996 B14R0.394 C#CCCCCCCSCCCC(=O)C 62a_100011215641_100012276617 [0,2,0,0,0,0|1,0,1]=4 11997 B14R0.394 C#CCCCCCCSCCCC(=O)C 62a_100012276617_100011215641 [0,2,0,0,0,0|1,0,1]=4 11998 B14R0.394 C#CCCCCCCSCCCC(=O)N 62a_100012276617_100102525003 [0,2,0,0,0,0|1,0,1]=4 11999 B14R0.394 C#CCCCCCCSCCCC(=O)N 62a_100102525003_100012276617 [0,2,0,0,0,0|1,0,1]=4 12000 B14R0.394 C#CCCCCCNCCCCC(=O)N 34a_100000696515_100012094781 [0,2,0,0,0,0|1,0,1]=4 12001 B14R0.394 C#CCCCCCNCCOCC(=O)O 269956a_100000700818_100012094781 [0,2,0,0,0,0|0,0,2]=4 12002 B14R0.394 C#CCCCCCOCCCCC(=O)C 34a_100000766912_100009817362 [0,2,0,0,0,0|1,0,1]=4 12003 B14R0.394 C#CCCCCCOCCCCC(=O)C 7a_100000766912_100000735457 [0,2,0,0,0,0|1,0,1]=4 12004 B14R0.394 C#CCCCCCOCCCCC(=O)N 34a_100012022536_100012094781 [0,2,0,0,0,0|1,0,1]=4 12005 B14R0.394 C#CCCCCCOCCCCC(=O)N 7a_100012022536_100012094781 [0,2,0,0,0,0|1,0,1]=4 12006 B14R0.394 C#CCCCCCSCCCCC(=O)C 62a_100000735457_100012094781 [0,2,0,0,0,0|1,0,1]=4 12007 B14R0.394 C#CCCCCCSCCCCC(=O)C 62a_100012094781_100000735457 [0,2,0,0,0,0|1,0,1]=4 12008 B14R0.394 C#CCCCCNCCCCCC(=O)N 2230a_100000706060_100009817443 [0,2,0,0,0,0|1,0,1]=4 12009 B14R0.394 C#CCCCCNCCCCCC(=O)N 34a_100000706060_100009817443 [0,2,0,0,0,0|1,0,1]=4 12010 B14R0.394 C#CCCCCOCCCCCC(=O)N 34a_100000123541_100010269958 [0,2,0,0,0,0|1,0,1]=4 12011 B14R0.394 C#CCCCCOCCCCCC(=O)N 34a_100000766709_100009817443 [0,2,0,0,0,0|1,0,1]=4 12012 B14R0.394 C#CCCCCOCCCCCC(=O)N 7a_100000123541_100010269958 [0,2,0,0,0,0|1,0,1]=4 12013 B14R0.394 C#CCCCCOCCCCCC(=O)N 7a_100000766709_100009817443 [0,2,0,0,0,0|1,0,1]=4 12014 B14R0.394 C#CCCCCOCCCCCC(=O)[O-] 7a_100102619762_100010269958 [0,2,0,0,0,0|0,0,2]=4 12015 B14R0.394 C#CCCCCSCCCCCC(=O)N 62a_100009817443_100010269958 [0,2,0,0,0,0|1,0,1]=4 12016 B14R0.394 C#CCCCCSCCCCCC(=O)N 62a_100010269958_100009817443 [0,2,0,0,0,0|1,0,1]=4 12017 B14R0.394 C=C(Br)CCOCCCCCCCCC 34a_100009813270_100011214924 [0,2,0,0,0,0|2,0,0]=4 12018 B14R0.394 C=C(Br)CCOCCCCCCCCO 34a_100009813270_100000033203 [0,2,0,0,0,0|2,0,0]=4 12019 B14R0.394 C=C(C)CCNCCCCCCCCC 2230a_100000212291_100000730704 [0,2,0,0,0,0|2,0,0]=4 12020 B14R0.394 C=C(C)CCNCCCCCCCCC 34a_100000212291_100000730704 [0,2,0,0,0,0|2,0,0]=4 12021 B14R0.394 C=C(C)CCNCCCCCCCCO 2230a_102515433106_100000730704 [0,2,0,0,0,0|2,0,0]=4 12022 B14R0.394 C=C(C)CCNCCCCCCCCO 34a_102515433106_100000730704 [0,2,0,0,0,0|2,0,0]=4 12023 B14R0.394 C=C(C)CCOCCCCCCCCBr 34a_100009813846_100000730704 [0,2,0,0,0,0|2,0,0]=4 12024 B14R0.394 C=C(C)CCOCCCCCCCCBr 7a_100009813846_100000730704 [0,2,0,0,0,0|2,0,0]=4 12025 B14R0.394 C=C(C)CCOCCCCCCCCC 34a_100000210712_100000730704 [0,2,0,0,0,0|2,0,0]=4 12026 B14R0.394 C=C(C)CCOCCCCCCCCC 34a_100000764851_100011214924 [0,2,0,0,0,0|2,0,0]=4 12027 B14R0.394 C=C(C)CCOCCCCCCCCC 7a_100000210712_100000730704 [0,2,0,0,0,0|2,0,0]=4 12028 B14R0.394 C=C(C)CCOCCCCCCCCCl 34a_100000033203_100000730704 [0,2,0,0,0,0|2,0,0]=4 12029 B14R0.394 C=C(C)CCOCCCCCCCCCl 7a_100000033203_100000730704 [0,2,0,0,0,0|2,0,0]=4 12030 B14R0.394 C=C(C)CCOCCCCCCCCN 34a_102515433106_100000730704 [0,2,0,0,0,0|2,0,0]=4 12031 B14R0.394 C=C(C)CCOCCCCCCCCO 34a_100000764851_100000033203 [0,2,0,0,0,0|2,0,0]=4 12032 B14R0.394 C=C(C)CCOCCCCNCCCC 34a_200011216965_100000730704 [0,2,0,0,0,0|2,0,0]=4 12033 B14R0.394 C=C(C)CCOCCCCOCCCC 34a_200000760531_100000730704 [0,2,0,0,0,0|2,0,0]=4 12034 B14R0.394 C=C(C)CCOCCCCOCCCC 7a_200000760531_100000730704 [0,2,0,0,0,0|2,0,0]=4 12035 B14R0.394 C=C(C)CCOCCOCCCCCC 34a_100000691444_100000730704 [0,2,0,0,0,0|2,0,0]=4 12036 B14R0.394 C=C(C)CCOCCOCCCCCC 7a_100000691444_100000730704 [0,2,0,0,0,0|2,0,0]=4 12037 B14R0.394 C=C(C)CCSCCCCCCCCC 62a_100000730704_100000210670 [0,2,0,0,0,0|2,0,0]=4 12038 B14R0.394 C=C(C)CCSCCCCCCCCO 62a_100000033203_100000730704 [0,2,0,0,0,0|2,0,0]=4 12039 B14R0.394 C=C(C)CCSCCCCCCCCO 62a_100000730704_100000033203 [0,2,0,0,0,0|2,0,0]=4 12040 B14R0.394 C=C(C)CNCCCCCCCCCC 2230a_100000684558_100000748629 [0,2,0,0,0,0|2,0,0]=4 12041 B14R0.394 C=C(C)CNCCCCCCCCCC 34a_100000684558_100000748629 [0,2,0,0,0,0|2,0,0]=4 12042 B14R0.394 C=C(C)CNCCCCCCCCCO 2230a_100000078944_100000748629 [0,2,0,0,0,0|2,0,0]=4 12043 B14R0.394 C=C(C)CNCCCCCCCCCO 34a_100000078944_100000748629 [0,2,0,0,0,0|2,0,0]=4 12044 B14R0.394 C=C(C)COCCCCCCCCCBr 34a_100009813782_100000748629 [0,2,0,0,0,0|2,0,0]=4 12045 B14R0.394 C=C(C)COCCCCCCCCCBr 7a_100009813782_100000748629 [0,2,0,0,0,0|2,0,0]=4 12046 B14R0.394 C=C(C)COCCCCCCCCCC 34a_100000210245_100000210320 [0,2,0,0,0,0|2,0,0]=4 12047 B14R0.394 C=C(C)COCCCCCCCCCC 34a_100000210711_100000748629 [0,2,0,0,0,0|2,0,0]=4 12048 B14R0.394 C=C(C)COCCCCCCCCCC 7a_100000210711_100000748629 [0,2,0,0,0,0|2,0,0]=4 12049 B14R0.394 C=C(C)COCCCCCCCCCCl 34a_100009868337_100000748629 [0,2,0,0,0,0|2,0,0]=4 12050 B14R0.394 C=C(C)COCCCCCCCCCCl 7a_100009868337_100000748629 [0,2,0,0,0,0|2,0,0]=4 12051 B14R0.394 C=C(C)COCCCCCCCCCN 34a_100000078944_100000748629 [0,2,0,0,0,0|2,0,0]=4 12052 B14R0.394 C=C(C)COCCCCCCCCCO 34a_100000210245_100009813782 [0,2,0,0,0,0|2,0,0]=4 12053 B14R0.394 C=C(C)CSCCCCCCCCCC 62a_100000748629_100000210320 [0,2,0,0,0,0|2,0,0]=4 12054 B14R0.394 C=C(C)CSCCCCCCCCCO 62a_100000748629_100009813782 [0,2,0,0,0,0|2,0,0]=4 12055 B14R0.394 C=C(C)CSCCCCCCCCCO 62a_100009813782_100000211660 [0,2,0,0,0,0|2,0,0]=4 12056 B14R0.394 C=C(F)CNCCCCCCCCCC 2230a_100000684558_100009893438 [0,2,0,0,0,0|2,0,0]=4 12057 B14R0.394 C=C(F)CNCCCCCCCCCC 34a_100000684558_100009893438 [0,2,0,0,0,0|2,0,0]=4 12058 B14R0.394 C=C(F)CNCCCCCCCCCO 2230a_100000078944_100009893438 [0,2,0,0,0,0|2,0,0]=4 12059 B14R0.394 C=C(F)CNCCCCCCCCCO 34a_100000078944_100009893438 [0,2,0,0,0,0|2,0,0]=4 12060 B14R0.394 C=C(F)COCCCCCCCCCBr 34a_100009813782_100009893438 [0,2,0,0,0,0|2,0,0]=4 12061 B14R0.394 C=C(F)COCCCCCCCCCBr 7a_100009813782_100000042424 [0,2,0,0,0,0|2,0,0]=4 12062 B14R0.394 C=C(F)COCCCCCCCCCC 34a_100000210711_100009893438 [0,2,0,0,0,0|2,0,0]=4 12063 B14R0.394 C=C(F)COCCCCCCCCCC 34a_200010262243_100000210320 [0,2,0,0,0,0|2,0,0]=4 12064 B14R0.394 C=C(F)COCCCCCCCCCC 7a_100000210711_100000042424 [0,2,0,0,0,0|2,0,0]=4 12065 B14R0.394 C=C(F)COCCCCCCCCCCl 34a_100009868337_100009893438 [0,2,0,0,0,0|2,0,0]=4 12066 B14R0.394 C=C(F)COCCCCCCCCCCl 7a_100009868337_100000042424 [0,2,0,0,0,0|2,0,0]=4 12067 B14R0.394 C=C(F)COCCCCCCCCCN 34a_100000078944_100009893438 [0,2,0,0,0,0|2,0,0]=4 12068 B14R0.394 C=C(F)COCCCCCCCCCO 34a_200010262243_100009813782 [0,2,0,0,0,0|2,0,0]=4 12069 B14R0.394 C=C(F)CSCCCCCCCCCC 62a_100000042424_100000210320 [0,2,0,0,0,0|2,0,0]=4 12070 B14R0.394 C=C(F)CSCCCCCCCCCO 62a_100000042424_100009813782 [0,2,0,0,0,0|2,0,0]=4 12071 B14R0.394 C=C(F)CSCCCCCCCCCO 62a_100009813782_100000042424 [0,2,0,0,0,0|2,0,0]=4 12072 B14R0.394 C=CCCCCCCCCCCC(=O)C 1458a_100000070787_100011093070 [0,2,0,0,0,0|1,0,0]=3 12073 B14R0.394 C=CCCCCCCCCCNC(=O)C 11a_100000081888_100015343762 [0,2,0,0,0,0|1,0,1]=4 12074 B14R0.394 C=CCCCCCCCCCNC(=O)C 1626a_100000081888_100015343762 [0,2,0,0,0,0|1,0,1]=4 12075 B14R0.394 C=CCCCCCCCCCNC(=O)C 240690a_100000081888_100015343762 [0,2,0,0,0,0|1,0,1]=4 12076 B14R0.394 C=CCCCCCCCCCNC(=O)C 527a_100000081888_100103153847 [0,2,0,0,0,0|1,0,1]=4 12077 B14R0.394 C=CCCCCCCCCNCC(=O)N 2230a_100000711301_100011933949 [0,2,0,0,0,0|1,0,1]=4 12078 B14R0.394 C=CCCCCCCCCNCC(=O)O 269956a_100016091260_100011933949 [0,2,0,0,0,0|0,0,1]=3 12079 B14R0.394 C=CCCCCCCCCOCC(=O)C 34a_100000211253_100011933949 [0,2,0,0,0,0|1,0,1]=4 12080 B14R0.394 C=CCCCCCCCCOCC(=O)N 34a_100011215194_100000187820 [0,2,0,0,0,0|1,0,1]=4 12081 B14R0.394 C=CCCCCCCCCOCC(=O)N 7a_100011215194_100000187820 [0,2,0,0,0,0|1,0,1]=4 12082 B14R0.394 C=CCCCCCCCCOCC(=O)[O-] 34a_100011215194_100020667443 [0,2,0,0,0,0|0,0,2]=4 12083 B14R0.394 C=CCCCCCCCCSCC(=O)N 62a_100000747473_100011933949 [0,2,0,0,0,0|1,0,1]=4 12084 B14R0.394 C=CCCCCCCCCSCC(=O)N 62a_100011933949_100000747473 [0,2,0,0,0,0|1,0,1]=4 12085 B14R0.394 C=CCCCCCCCCSCC(=O)[O-] 62a_100011933949_100020667443 [0,2,0,0,0,0|0,0,2]=4 12086 B14R0.394 C=CCCCCCCCCSCC(=O)[O-] 62a_100020667443_100011933949 [0,2,0,0,0,0|0,0,2]=4 12087 B14R0.394 C=CCCCCCCCNOCC(=O)O 269956a_100000106656_100012355270 [0,2,0,0,0,0|0,0,2]=4 12088 B14R0.394 C=CCCCCCCCOCCC(=O)C 34a_100000759926_100012355270 [0,2,0,0,0,0|1,0,1]=4 12089 B14R0.394 C=CCCCCCCCOCCC(=O)C 7a_100000730831_100000053229 [0,2,0,0,0,0|1,0,1]=4 12090 B14R0.394 C=CCCCCCCCOCCC(=O)C 7a_100000759926_100012355270 [0,2,0,0,0,0|1,0,1]=4 12091 B14R0.394 C=CCCCCCCCOCCC(=O)N 34a_100000730831_100000731001 [0,2,0,0,0,0|1,0,1]=4 12092 B14R0.394 C=CCCCCCCCOCCC(=O)N 34a_100000757172_100012355270 [0,2,0,0,0,0|1,0,1]=4 12093 B14R0.394 C=CCCCCCCCOCCC(=O)N 7a_100000730831_100000744528 [0,2,0,0,0,0|1,0,1]=4 12094 B14R0.394 C=CCCCCCCCOCCC(=O)N 7a_100000757172_100012355270 [0,2,0,0,0,0|1,0,1]=4 12095 B14R0.394 C=CCCCCCCCSCCC(=O)C 62a_100000053229_100012355270 [0,2,0,0,0,0|1,0,1]=4 12096 B14R0.394 C=CCCCCCCCSCCC(=O)C 62a_100012355270_100000053229 [0,2,0,0,0,0|1,0,1]=4 12097 B14R0.394 C=CCCCCCCCSCCC(=O)N 62a_100000744528_100012355270 [0,2,0,0,0,0|1,0,1]=4 12098 B14R0.394 C=CCCCCCCCSCCC(=O)N 62a_100012355270_100000744528 [0,2,0,0,0,0|1,0,1]=4 12099 B14R0.394 C=CCCCCCCNCCCC(=O)N 34a_100000739312_100011215473 [0,2,0,0,0,0|1,0,1]=4 12100 B14R0.394 C=CCCCCCCOCCCC(=O)C 34a_100000759063_100011215473 [0,2,0,0,0,0|1,0,1]=4 12101 B14R0.394 C=CCCCCCCOCCCC(=O)C 34a_200011216477_100000685027 [0,2,0,0,0,0|1,0,1]=4 12102 B14R0.394 C=CCCCCCCOCCCC(=O)C 7a_100000759063_100011215473 [0,2,0,0,0,0|1,0,1]=4 12103 B14R0.394 C=CCCCCCCOCCCC(=O)C 7a_200011216477_100011215641 [0,2,0,0,0,0|1,0,1]=4 12104 B14R0.394 C=CCCCCCCOCCCC(=O)N 34a_200011216477_100102525003 [0,2,0,0,0,0|1,0,1]=4 12105 B14R0.394 C=CCCCCCCOCCCC(=O)N 7a_200011216477_100102525003 [0,2,0,0,0,0|1,0,1]=4 12106 B14R0.394 C=CCCCCCCSCCCC(=O)C 62a_100011215473_100011215641 [0,2,0,0,0,0|1,0,1]=4 12107 B14R0.394 C=CCCCCCCSCCCC(=O)C 62a_100011215641_100011215473 [0,2,0,0,0,0|1,0,1]=4 12108 B14R0.394 C=CCCCCCCSCCCC(=O)N 62a_100011215473_100102525003 [0,2,0,0,0,0|1,0,1]=4 12109 B14R0.394 C=CCCCCCCSCCCC(=O)N 62a_100102525003_100011215473 [0,2,0,0,0,0|1,0,1]=4 12110 B14R0.394 C=CCCCCCNCCCCC(=O)N 34a_100000696515_100000700193 [0,2,0,0,0,0|1,0,1]=4 12111 B14R0.394 C=CCCCCCNCCOCC(=O)O 269956a_100000700818_100000700193 [0,2,0,0,0,0|0,0,2]=4 12112 B14R0.394 C=CCCCCCOCCCCC(=O)C 34a_100011216702_100009817362 [0,2,0,0,0,0|1,0,1]=4 12113 B14R0.394 C=CCCCCCOCCCCC(=O)C 7a_100011216702_100000735457 [0,2,0,0,0,0|1,0,1]=4 12114 B14R0.394 C=CCCCCCOCCCCC(=O)N 34a_100012022536_100000700193 [0,2,0,0,0,0|1,0,1]=4 12115 B14R0.394 C=CCCCCCOCCCCC(=O)N 7a_100012022536_100000700193 [0,2,0,0,0,0|1,0,1]=4 12116 B14R0.394 C=CCCCCCSCCCCC(=O)C 62a_100000700193_100000735457 [0,2,0,0,0,0|1,0,1]=4 12117 B14R0.394 C=CCCCCCSCCCCC(=O)C 62a_100000735457_100000700193 [0,2,0,0,0,0|1,0,1]=4 12118 B14R0.394 C=CCCCCNCCCCCC(=O)N 2230a_100000703577_100009817443 [0,2,0,0,0,0|1,0,1]=4 12119 B14R0.394 C=CCCCCNCCCCCC(=O)N 34a_100000703577_100009817443 [0,2,0,0,0,0|1,0,1]=4 12120 B14R0.394 C=CCCCCOCCCCCC(=O)N 34a_100000123541_100011215482 [0,2,0,0,0,0|1,0,1]=4 12121 B14R0.394 C=CCCCCOCCCCCC(=O)N 34a_100000766645_100009817443 [0,2,0,0,0,0|1,0,1]=4 12122 B14R0.394 C=CCCCCOCCCCCC(=O)N 7a_100000123541_100011215482 [0,2,0,0,0,0|1,0,1]=4 12123 B14R0.394 C=CCCCCOCCCCCC(=O)N 7a_100000766645_100009817443 [0,2,0,0,0,0|1,0,1]=4 12124 B14R0.394 C=CCCCCOCCCCCC(=O)[O-] 7a_100102619762_100011215482 [0,2,0,0,0,0|0,0,2]=4 12125 B14R0.394 C=CCCCCSCCCCCC(=O)N 62a_100009817443_100011215482 [0,2,0,0,0,0|1,0,1]=4 12126 B14R0.394 C=CCCCCSCCCCCC(=O)N 62a_100011215482_100009817443 [0,2,0,0,0,0|1,0,1]=4 12127 B14R0.394 CC(=O)CCCCCCCCCCCO 1458a_100000070787_100009812471 [0,2,0,0,0,0|1,0,0]=3 12128 B14R0.394 CC(=O)CCCCNCCCCCCO 34a_100000686447_100009817362 [0,2,0,0,0,0|1,0,0]=3 12129 B14R0.394 CC(=O)CCCCOCCCCCCBr 34a_100011215345_100009817362 [0,2,0,0,0,0|1,0,0]=3 12130 B14R0.394 CC(=O)CCCCOCCCCCCBr 7a_100011215345_100000735457 [0,2,0,0,0,0|1,0,0]=3 12131 B14R0.394 CC(=O)CCCCOCCCCCCCl 34a_100000766143_100009817362 [0,2,0,0,0,0|1,0,0]=3 12132 B14R0.394 CC(=O)CCCCOCCCCCCCl 7a_100000766143_100000735457 [0,2,0,0,0,0|1,0,0]=3 12133 B14R0.394 CC(=O)CCCCOCCCCCCF 34a_100000732779_100009817362 [0,2,0,0,0,0|1,0,0]=3 12134 B14R0.394 CC(=O)CCCCOCCCCCCF 7a_100000732779_100000735457 [0,2,0,0,0,0|1,0,0]=3 12135 B14R0.394 CC(=O)CCCCOCCCCCCN 34a_100000686447_100009817362 [0,2,0,0,0,0|1,0,0]=3 12136 B14R0.394 CC(=O)CCCCSCCCCCC#N 62a_100000735457_100009813376 [0,2,0,0,0,0|1,0,1]=4 12137 B14R0.394 CC(=O)CCCCSCCCCCC#N 62a_100009813376_100000735457 [0,2,0,0,0,0|1,0,1]=4 12138 B14R0.394 CC(=O)CCCCSCCCCCC=O 62a_100000139337_100000735457 [0,2,0,0,0,0|1,0,1]=4 12139 B14R0.394 CC(=O)CCCCSCCCCCC=O 62a_100000735457_100000139337 [0,2,0,0,0,0|1,0,1]=4 12140 B14R0.394 CC(=O)CCCCSCCCCCCF 62a_100000735457_100015922095 [0,2,0,0,0,0|1,0,0]=3 12141 B14R0.394 CC(=O)CCCCSCCCCCCF 62a_100015922095_100000735457 [0,2,0,0,0,0|1,0,0]=3 12142 B14R0.394 CC(=O)CCCCSCCCCCCO 62a_100000735457_100000766143 [0,2,0,0,0,0|1,0,0]=3 12143 B14R0.394 CC(=O)CCCCSCCCCCCO 62a_100000766143_100000735457 [0,2,0,0,0,0|1,0,0]=3 12144 B14R0.394 CC(=O)CCCNCCCCCCCO 34a_100011996573_100000685027 [0,2,0,0,0,0|1,0,0]=3 12145 B14R0.394 CC(=O)CCCNCCCOCCCO 34a_100011310245_100000685027 [0,2,0,0,0,0|2,0,0]=4 12146 B14R0.394 CC(=O)CCCOCCCCCCC#N 7a_100000759063_100009813337 [0,2,0,0,0,0|1,0,1]=4 12147 B14R0.394 CC(=O)CCCOCCCCCCCBr 34a_100000760002_100000685027 [0,2,0,0,0,0|1,0,0]=3 12148 B14R0.394 CC(=O)CCCOCCCCCCCBr 7a_100000760002_100011215641 [0,2,0,0,0,0|1,0,0]=3 12149 B14R0.394 CC(=O)CCCOCCCCCCCN 34a_100011996573_100000685027 [0,2,0,0,0,0|1,0,0]=3 12150 B14R0.394 CC(=O)CCCOCCCCCCCO 34a_100000759063_100000760002 [0,2,0,0,0,0|1,0,0]=3 12151 B14R0.394 CC(=O)CCCOCCCCCCCO 7a_100000759063_100000760002 [0,2,0,0,0,0|1,0,0]=3 12152 B14R0.394 CC(=O)CCCOCCCOCCCN 34a_100011310245_100000685027 [0,2,0,0,0,0|2,0,0]=4 12153 B14R0.394 CC(=O)CCCSCCCCCCC#N 62a_100009813337_100011215641 [0,2,0,0,0,0|1,0,1]=4 12154 B14R0.394 CC(=O)CCCSCCCCCCC#N 62a_100011215641_100009813337 [0,2,0,0,0,0|1,0,1]=4 12155 B14R0.394 CC(=O)CCCSCCCCCCCO 62a_100000760002_100011215641 [0,2,0,0,0,0|1,0,0]=3 12156 B14R0.394 CC(=O)CCCSCCCCCCCO 62a_100011215641_100000760002 [0,2,0,0,0,0|1,0,0]=3 12157 B14R0.394 CC(=O)CCOCCCCCCCCBr 7a_100009813846_100000053229 [0,2,0,0,0,0|1,0,0]=3 12158 B14R0.394 CC(=O)CCOCCCCCCCCCl 7a_100000033203_100000053229 [0,2,0,0,0,0|1,0,0]=3 12159 B14R0.394 CC(=O)CCOCCCCCCCCO 34a_100000759926_100000033203 [0,2,0,0,0,0|1,0,0]=3 12160 B14R0.394 CC(=O)CCOCCCCCCCCO 7a_100000759926_100000033203 [0,2,0,0,0,0|1,0,0]=3 12161 B14R0.394 CC(=O)CCSCCCCCCCCO 62a_100000033203_100000053229 [0,2,0,0,0,0|1,0,0]=3 12162 B14R0.394 CC(=O)CCSCCCCCCCCO 62a_100000053229_100000033203 [0,2,0,0,0,0|1,0,0]=3 12163 B14R0.394 CC(=O)COCCCCCCCCCO 34a_100000211253_100009813782 [0,2,0,0,0,0|1,0,0]=3 12164 B14R0.394 CC(=O)NCCCCCCCCCCO 240690a_100000066964_100015343762 [0,2,0,0,0,0|1,0,0]=3 12165 B14R0.394 CC(=O)NCCCCCCNCCCF 2230a_200011996284_100011934791 [0,2,0,0,0,0|2,0,0]=4 12166 B14R0.394 CC(=O)NCCCCCCNCCCF 34a_200011996284_100011934791 [0,2,0,0,0,0|2,0,0]=4 12167 B14R0.394 CC(=O)NCCCCCCNCCCO 2230a_200011996284_100000230001 [0,2,0,0,0,0|2,0,0]=4 12168 B14R0.394 CC(=O)NCCCCCCNCCCO 34a_200011996284_100000230001 [0,2,0,0,0,0|2,0,0]=4 12169 B14R0.394 CC(=O)NCCCCCNCCCCF 2230a_200012022750_100000729493 [0,2,0,0,0,0|2,0,0]=4 12170 B14R0.394 CC(=O)NCCCCCNCCCCF 34a_200012022750_100000729493 [0,2,0,0,0,0|2,0,0]=4 12171 B14R0.394 CC(=O)NCCCCCNCCCCO 2230a_200012022750_100000210776 [0,2,0,0,0,0|2,0,0]=4 12172 B14R0.394 CC(=O)NCCCCCNCCCCO 34a_200012022750_100011216708 [0,2,0,0,0,0|2,0,0]=4 12173 B14R0.394 CC(=O)NCCCCNCCCCCF 2230a_200011368371_100000729378 [0,2,0,0,0,0|2,0,0]=4 12174 B14R0.394 CC(=O)NCCCCNCCCCCF 34a_200011368371_100000729378 [0,2,0,0,0,0|2,0,0]=4 12175 B14R0.394 CC(=O)NCCCCNCCCCCO 2230a_200011368371_100000746330 [0,2,0,0,0,0|2,0,0]=4 12176 B14R0.394 CC(=O)NCCCCNCCCCCO 34a_200011368371_100000746330 [0,2,0,0,0,0|2,0,0]=4 12177 B14R0.394 CC(=O)NCCCNCCCCCCF 34a_100000736810_100015922095 [0,2,0,0,0,0|2,0,0]=4 12178 B14R0.394 CC(=O)NCCCNCCCCCCO 34a_100000736810_100000766143 [0,2,0,0,0,0|2,0,0]=4 12179 B14R0.394 CC(=O)NCCCOCCCCCCF 34a_100000752032_100015922095 [0,2,0,0,0,0|2,0,0]=4 12180 B14R0.394 CC(=O)NCCCOCCCCCCO 34a_100000752032_100000766143 [0,2,0,0,0,0|2,0,0]=4 12181 B14R0.394 CC(=O)NCCNCCCCCCCO 2230a_100000209853_100000760002 [0,2,0,0,0,0|2,0,0]=4 12182 B14R0.394 CC(=O)NCCNCCCCCCCO 2230a_100011996573_100000189650 [0,2,0,0,0,0|2,0,0]=4 12183 B14R0.394 CC(=O)NCCOCCCCCCCBr 7a_100000760002_100000189650 [0,2,0,0,0,0|2,0,0]=4 12184 B14R0.394 CC(=O)NCCOCCCCCCCO 34a_100000158858_100000760002 [0,2,0,0,0,0|2,0,0]=4 12185 B14R0.394 CC(=O)NCCSCCCCCCCO 62a_100000189650_100000760002 [0,2,0,0,0,0|2,0,0]=4 12186 B14R0.394 CC(=O)NCCSCCCCCCCO 62a_100000760002_100000189650 [0,2,0,0,0,0|2,0,0]=4 12187 B14R0.394 CC(=O)OCCCCCNCCCCO 2230a_100000750430_100009813381 [0,2,0,0,0,0|2,0,0]=4 12188 B14R0.394 CC(=O)OCCCCCNCCCCO 34a_100000750430_100000033007 [0,2,0,0,0,0|2,0,0]=4 12189 B14R0.394 CC(=O)OCCCCCOCCCCBr 34a_100011216708_100000033007 [0,2,0,0,0,0|2,0,0]=4 12190 B14R0.394 CC(=O)OCCCCCOCCCCCl 34a_100000210776_100000033007 [0,2,0,0,0,0|2,0,0]=4 12191 B14R0.394 CC(=O)OCCCCCOCCCCCl 7a_100000210776_100000033007 [0,2,0,0,0,0|2,0,0]=4 12192 B14R0.394 CC(=O)OCCCCCOCCCCF 34a_100011995726_100000033007 [0,2,0,0,0,0|2,0,0]=4 12193 B14R0.394 CC(=O)OCCCCCOCCCCF 7a_100011995726_100000033007 [0,2,0,0,0,0|2,0,0]=4 12194 B14R0.394 CC(=O)OCCCCCOCCCCI 34a_200012148704_100000033007 [0,2,0,0,0,0|2,0,0]=4 12195 B14R0.394 CC(=O)OCCCCCOCCCCN 34a_100000750430_100000033007 [0,2,0,0,0,0|2,0,0]=4 12196 B14R0.394 CC(=O)OCCCCCSCCCCF 62a_100000033007_100000729493 [0,2,0,0,0,0|2,0,0]=4 12197 B14R0.394 CC(=O)OCCCCCSCCCCF 62a_100000729493_100000033007 [0,2,0,0,0,0|2,0,0]=4 12198 B14R0.394 CC(=O)OCCCCCSCCCCO 62a_100000033007_100000210776 [0,2,0,0,0,0|2,0,0]=4 12199 B14R0.394 CC(=O)OCCCCCSCCCCO 62a_100000210776_100000033007 [0,2,0,0,0,0|2,0,0]=4 12200 B14R0.394 CC(=O)OCCCCNCCCCCO 34a_100000762737_100000033659 [0,2,0,0,0,0|2,0,0]=4 12201 B14R0.394 CC(=O)OCCCCOCCCCCBr 34a_100000746331_100000033659 [0,2,0,0,0,0|2,0,0]=4 12202 B14R0.394 CC(=O)OCCCCOCCCCCBr 7a_100000746331_100000033659 [0,2,0,0,0,0|2,0,0]=4 12203 B14R0.394 CC(=O)OCCCCOCCCCCCl 34a_100000746330_100000033659 [0,2,0,0,0,0|2,0,0]=4 12204 B14R0.394 CC(=O)OCCCCOCCCCCCl 7a_100000746330_100000033659 [0,2,0,0,0,0|2,0,0]=4 12205 B14R0.394 CC(=O)OCCCCOCCCCCF 34a_100000073216_100000729378 [0,2,0,0,0,0|2,0,0]=4 12206 B14R0.394 CC(=O)OCCCCOCCCCCF 7a_100000073216_100000729378 [0,2,0,0,0,0|2,0,0]=4 12207 B14R0.394 CC(=O)OCCCCOCCCCCI 34a_200012148887_100000033659 [0,2,0,0,0,0|2,0,0]=4 12208 B14R0.394 CC(=O)OCCCCOCCCCCI 7a_200012148887_100000033659 [0,2,0,0,0,0|2,0,0]=4 12209 B14R0.394 CC(=O)OCCCCOCCCCCN 34a_100000762737_100000033659 [0,2,0,0,0,0|2,0,0]=4 12210 B14R0.394 CC(=O)OCCCCOCCCCCO 34a_100000073216_100000746330 [0,2,0,0,0,0|2,0,0]=4 12211 B14R0.394 CC(=O)OCCCCOCCCCCO 7a_100000073216_100000746330 [0,2,0,0,0,0|2,0,0]=4 12212 B14R0.394 CC(=O)OCCCCSCCCCCF 62a_100000033659_100000729378 [0,2,0,0,0,0|2,0,0]=4 12213 B14R0.394 CC(=O)OCCCCSCCCCCF 62a_100000729378_100000033659 [0,2,0,0,0,0|2,0,0]=4 12214 B14R0.394 CC(=O)OCCCCSCCCCCO 62a_100000033659_100000746330 [0,2,0,0,0,0|2,0,0]=4 12215 B14R0.394 CC(=O)OCCCCSCCCCCO 62a_100000746330_100000033659 [0,2,0,0,0,0|2,0,0]=4 12216 B14R0.394 CC(=O)OCCCNCCCCCCO 34a_100000686447_100000042594 [0,2,0,0,0,0|2,0,0]=4 12217 B14R0.394 CC(=O)OCCCOCCCCCCBr 34a_100011215345_100000042594 [0,2,0,0,0,0|2,0,0]=4 12218 B14R0.394 CC(=O)OCCCOCCCCCCBr 7a_100011215345_100000042594 [0,2,0,0,0,0|2,0,0]=4 12219 B14R0.394 CC(=O)OCCCOCCCCCCCl 34a_100000766143_100000042594 [0,2,0,0,0,0|2,0,0]=4 12220 B14R0.394 CC(=O)OCCCOCCCCCCCl 7a_100000766143_100000042594 [0,2,0,0,0,0|2,0,0]=4 12221 B14R0.394 CC(=O)OCCCOCCCCCCF 34a_100000732779_100000042594 [0,2,0,0,0,0|2,0,0]=4 12222 B14R0.394 CC(=O)OCCCOCCCCCCF 7a_100000732779_100000042594 [0,2,0,0,0,0|2,0,0]=4 12223 B14R0.394 CC(=O)OCCCOCCCCCCN 34a_100000686447_100000042594 [0,2,0,0,0,0|2,0,0]=4 12224 B14R0.394 CC(=O)OCCCSCCCCCCF 62a_100000042594_100015922095 [0,2,0,0,0,0|2,0,0]=4 12225 B14R0.394 CC(=O)OCCCSCCCCCCF 62a_100015922095_100000042594 [0,2,0,0,0,0|2,0,0]=4 12226 B14R0.394 CC(=O)OCCCSCCCCCCO 62a_100000042594_100000766143 [0,2,0,0,0,0|2,0,0]=4 12227 B14R0.394 CC(=O)OCCCSCCCCCCO 62a_100000766143_100000042594 [0,2,0,0,0,0|2,0,0]=4 12228 B14R0.394 CC(=O)OCCNCCCCCCCO 34a_100011996573_100009814007 [0,2,0,0,0,0|2,0,0]=4 12229 B14R0.394 CC(=O)OCCOCCCCCCCBr 34a_100000760002_100009814007 [0,2,0,0,0,0|2,0,0]=4 12230 B14R0.394 CC(=O)OCCOCCCCCCCBr 7a_100000760002_100009814007 [0,2,0,0,0,0|2,0,0]=4 12231 B14R0.394 CC(=O)OCCOCCCCCCCN 34a_100011996573_100009814007 [0,2,0,0,0,0|2,0,0]=4 12232 B14R0.394 CC(=O)OCCSCCCCCCCO 62a_100000760002_100009814007 [0,2,0,0,0,0|2,0,0]=4 12233 B14R0.394 CC(=O)OCCSCCCCCCCO 62a_100009814007_100000760002 [0,2,0,0,0,0|2,0,0]=4 12234 B14R0.394 CC(=O)OCNCCCCCCCCO 34a_102515433106_100009813279 [0,2,0,0,0,0|2,0,0]=4 12235 B14R0.394 CC(=O)OCOCCCCCCCCBr 34a_100009813846_100009813279 [0,2,0,0,0,0|2,0,0]=4 12236 B14R0.394 CC(=O)OCOCCCCCCCCCl 34a_100000033203_100009813279 [0,2,0,0,0,0|2,0,0]=4 12237 B14R0.394 CC(=O)OCOCCCCCCCCN 34a_102515433106_100009813279 [0,2,0,0,0,0|2,0,0]=4 12238 B14R0.394 CC(=O)OCSCCCCCCCCO 62a_100000033203_100000076356 [0,2,0,0,0,0|2,0,0]=4 12239 B14R0.394 CC(=O)OCSCCCCCCCCO 62a_100000076356_100000033203 [0,2,0,0,0,0|2,0,0]=4 12240 B14R0.394 CC(=O)SCCCCNCCCCCO 2230a_100000762737_200010402107 [0,2,0,0,0,0|2,0,0]=4 12241 B14R0.394 CC(=O)SCCCCNCCCCCO 34a_100000762737_200010402107 [0,2,0,0,0,0|2,0,0]=4 12242 B14R0.394 CC(=O)SCCCCOCCCCCBr 34a_100000746331_200010402107 [0,2,0,0,0,0|2,0,0]=4 12243 B14R0.394 CC(=O)SCCCCOCCCCCBr 7a_100000746331_200010402107 [0,2,0,0,0,0|2,0,0]=4 12244 B14R0.394 CC(=O)SCCCCOCCCCCCl 34a_100000746330_200010402107 [0,2,0,0,0,0|2,0,0]=4 12245 B14R0.394 CC(=O)SCCCCOCCCCCCl 7a_100000746330_200010402107 [0,2,0,0,0,0|2,0,0]=4 12246 B14R0.394 CC(=O)SCCCCOCCCCCI 34a_200012148887_200010402107 [0,2,0,0,0,0|2,0,0]=4 12247 B14R0.394 CC(=O)SCCCCOCCCCCI 7a_200012148887_200010402107 [0,2,0,0,0,0|2,0,0]=4 12248 B14R0.394 CC(=O)SCCCCOCCCCCN 34a_100000762737_200010402107 [0,2,0,0,0,0|2,0,0]=4 12249 B14R0.394 CC(=O)SCCCCSCCCCCF 62a_100000729378_200010402107 [0,2,0,0,0,0|2,0,0]=4 12250 B14R0.394 CC(=O)SCCCCSCCCCCF 62a_200010402107_100000729378 [0,2,0,0,0,0|2,0,0]=4 12251 B14R0.394 CC(=O)SCCCCSCCCCCO 62a_100000746330_200010402107 [0,2,0,0,0,0|2,0,0]=4 12252 B14R0.394 CC(=O)SCCCCSCCCCCO 62a_200010402107_100000746330 [0,2,0,0,0,0|2,0,0]=4 12253 B14R0.394 CC(=O)SCCCNCCCCCCO 2230a_100000686447_100000038929 [0,2,0,0,0,0|2,0,0]=4 12254 B14R0.394 CC(=O)SCCCNCCCCCCO 34a_100000686447_100000038929 [0,2,0,0,0,0|2,0,0]=4 12255 B14R0.394 CC(=O)SCCCOCCCCCCBr 34a_100011215345_100000038929 [0,2,0,0,0,0|2,0,0]=4 12256 B14R0.394 CC(=O)SCCCOCCCCCCBr 7a_100011215345_100000038929 [0,2,0,0,0,0|2,0,0]=4 12257 B14R0.394 CC(=O)SCCCOCCCCCCCl 34a_100000766143_100000038929 [0,2,0,0,0,0|2,0,0]=4 12258 B14R0.394 CC(=O)SCCCOCCCCCCCl 7a_100000766143_100000038929 [0,2,0,0,0,0|2,0,0]=4 12259 B14R0.394 CC(=O)SCCCOCCCCCCF 34a_100000732779_100000038929 [0,2,0,0,0,0|2,0,0]=4 12260 B14R0.394 CC(=O)SCCCOCCCCCCF 7a_100000732779_100000038929 [0,2,0,0,0,0|2,0,0]=4 12261 B14R0.394 CC(=O)SCCCOCCCCCCN 34a_100000686447_100000038929 [0,2,0,0,0,0|2,0,0]=4 12262 B14R0.394 CC(=O)SCCCSCCCCCCF 62a_100000038929_100015922095 [0,2,0,0,0,0|2,0,0]=4 12263 B14R0.394 CC(=O)SCCCSCCCCCCF 62a_100015922095_100000038929 [0,2,0,0,0,0|2,0,0]=4 12264 B14R0.394 CC(=O)SCCCSCCCCCCO 62a_100000038929_100000766143 [0,2,0,0,0,0|2,0,0]=4 12265 B14R0.394 CC(=O)SCCCSCCCCCCO 62a_100000766143_100000038929 [0,2,0,0,0,0|2,0,0]=4 12266 B14R0.394 CC(O)CCCNCCCCCCCO 2230a_100011996573_200000718107 [0,2,0,0,0,0|1,0,1]=4 12267 B14R0.394 CC(O)CCCNCCCCCCCO 34a_100011996573_200000718107 [0,2,0,0,0,0|1,0,1]=4 12268 B14R0.394 CC(O)CCCOCCCCCCCBr 34a_100000760002_200000718107 [0,2,0,0,0,0|1,0,1]=4 12269 B14R0.394 CC(O)CCCOCCCCCCCBr 7a_100000760002_200000718107 [0,2,0,0,0,0|1,0,1]=4 12270 B14R0.394 CC(O)CCCOCCCCCCCN 34a_100011996573_200000718107 [0,2,0,0,0,0|1,0,1]=4 12271 B14R0.394 CC(O)CCCSCCCCCCCO 62a_100000760002_200000718107 [0,2,0,0,0,0|1,0,1]=4 12272 B14R0.394 CC(O)CCCSCCCCCCCO 62a_200000718107_100000760002 [0,2,0,0,0,0|1,0,1]=4 12273 B14R0.394 CC(O)CCNCCCCCCCCO 2230a_102515433106_100012276601 [0,2,0,0,0,0|1,0,1]=4 12274 B14R0.394 CC(O)CCNCCCCCCCCO 2230a_200000755665_100000033203 [0,2,0,0,0,0|1,0,1]=4 12275 B14R0.394 CC(O)CCNCCCCCCCCO 34a_102515433106_100012276601 [0,2,0,0,0,0|1,0,1]=4 12276 B14R0.394 CC(O)CCOCCCCCCCCBr 34a_100009813846_100012276601 [0,2,0,0,0,0|1,0,1]=4 12277 B14R0.394 CC(O)CCOCCCCCCCCBr 7a_100009813846_100012276601 [0,2,0,0,0,0|1,0,1]=4 12278 B14R0.394 CC(O)CCOCCCCCCCCCl 34a_100000033203_100012276601 [0,2,0,0,0,0|1,0,1]=4 12279 B14R0.394 CC(O)CCOCCCCCCCCCl 7a_100000033203_100012276601 [0,2,0,0,0,0|1,0,1]=4 12280 B14R0.394 CC(O)CCOCCCCCCCCN 34a_102515433106_100012276601 [0,2,0,0,0,0|1,0,1]=4 12281 B14R0.394 CC(O)CCSCCCCCCCCO 62a_100000033203_100012276601 [0,2,0,0,0,0|1,0,1]=4 12282 B14R0.394 CC(O)CCSCCCCCCCCO 62a_100012276601_100000033203 [0,2,0,0,0,0|1,0,1]=4 12283 B14R0.394 CC(O)CNCCCCCCCCCO 2230a_100000078944_100011218427 [0,2,0,0,0,0|1,0,1]=4 12284 B14R0.394 CC(O)CNCCCCCCCCCO 2230a_100000210904_100009813782 [0,2,0,0,0,0|1,0,1]=4 12285 B14R0.394 CC(O)CNCCCCCCCCCO 34a_100000078944_100011218427 [0,2,0,0,0,0|1,0,1]=4 12286 B14R0.394 CC(O)CNCCCCCCCCCO 34a_100000210904_100009813782 [0,2,0,0,0,0|1,0,1]=4 12287 B14R0.394 CC(O)COCCCCCCCCCBr 34a_100009813782_100011218427 [0,2,0,0,0,0|1,0,1]=4 12288 B14R0.394 CC(O)COCCCCCCCCCBr 7a_100009813782_100011218427 [0,2,0,0,0,0|1,0,1]=4 12289 B14R0.394 CC(O)COCCCCCCCCCCl 34a_100009868337_100011218427 [0,2,0,0,0,0|1,0,1]=4 12290 B14R0.394 CC(O)COCCCCCCCCCCl 7a_100009868337_100011218427 [0,2,0,0,0,0|1,0,1]=4 12291 B14R0.394 CC(O)COCCCCCCCCCN 34a_100000078944_100011218427 [0,2,0,0,0,0|1,0,1]=4 12292 B14R0.394 CC(O)CSCCCCCCCCCO 62a_100009813782_100011218427 [0,2,0,0,0,0|1,0,1]=4 12293 B14R0.394 CC(O)CSCCCCCCCCCO 62a_100011218427_100009813782 [0,2,0,0,0,0|1,0,1]=4 12294 B14R0.394 CC/C=C/CCCOCCCCC(=O)C 34a_100016287902_100009817362 [0,2,0,0,0,0|1,0,1]=4 12295 B14R0.394 CC/C=C/CCCOCCCCC(=O)C 7a_100016287902_100000735457 [0,2,0,0,0,0|1,0,1]=4 12296 B14R0.394 CC/C=C\CCCCCNCCC(=O)N 269862a_100000740010_100016288537 [0,2,0,0,0,0|1,0,1]=4 12297 B14R0.394 CC/C=C\CCCCCOCCC(=O)C 7a_100016268722_100000053229 [0,2,0,0,0,0|1,0,1]=4 12298 B14R0.394 CC/C=C\CCCCCOCCC(=O)N 34a_100016268722_100000731001 [0,2,0,0,0,0|1,0,1]=4 12299 B14R0.394 CC/C=C\CCCCCOCCC(=O)N 7a_100016268722_100000744528 [0,2,0,0,0,0|1,0,1]=4 12300 B14R0.394 CC/C=C\CCCCOCCCC(=O)C 34a_100016287862_100000685027 [0,2,0,0,0,0|1,0,1]=4 12301 B14R0.394 CC/C=C\CCCCOCCCC(=O)C 7a_100016287862_100011215641 [0,2,0,0,0,0|1,0,1]=4 12302 B14R0.394 CC/C=C\CCCCOCCCC(=O)N 34a_100016287862_100102525003 [0,2,0,0,0,0|1,0,1]=4 12303 B14R0.394 CC/C=C\CCCCOCCCC(=O)N 7a_100016287862_100102525003 [0,2,0,0,0,0|1,0,1]=4 12304 B14R0.394 CC/C=C\CCOCCCCCC(=O)N 34a_100000123541_100015370543 [0,2,0,0,0,0|1,0,1]=4 12305 B14R0.394 CC/C=C\CCOCCCCCC(=O)N 34a_100016288707_100009817443 [0,2,0,0,0,0|1,0,1]=4 12306 B14R0.394 CC/C=C\CCOCCCCCC(=O)N 7a_100000123541_100015370543 [0,2,0,0,0,0|1,0,1]=4 12307 B14R0.394 CC/C=C\CCOCCCCCC(=O)N 7a_100016288707_100009817443 [0,2,0,0,0,0|1,0,1]=4 12308 B14R0.394 CC/C=C\CCOCCCCCC(=O)[O-] 7a_100102619762_100015370543 [0,2,0,0,0,0|0,0,2]=4 12309 B14R0.394 CC/C=C\CCSCCCCCC(=O)N 62a_100009817443_100015370543 [0,2,0,0,0,0|1,0,1]=4 12310 B14R0.394 CC/C=C\CCSCCCCCC(=O)N 62a_100015370543_100009817443 [0,2,0,0,0,0|1,0,1]=4 12311 B14R0.394 CC=CCCCOCCCCCC(=O)N 34a_100020645299_100009817443 [0,2,0,0,0,0|1,0,1]=4 12312 B14R0.394 CCC#CCCCCCCNCC(=O)N 2230a_100000711301_200000036426 [0,2,0,0,0,0|1,0,1]=4 12313 B14R0.394 CCC#CCCCCCCNCC(=O)O 269956a_100016091260_200000036426 [0,2,0,0,0,0|0,0,1]=3 12314 B14R0.394 CCC#CCCCCCCOCC(=O)C 34a_100000211253_200000036426 [0,2,0,0,0,0|1,0,1]=4 12315 B14R0.394 CCC#CCCCCCCSCC(=O)N 62a_100000747473_200000036426 [0,2,0,0,0,0|1,0,1]=4 12316 B14R0.394 CCC#CCCCCCCSCC(=O)N 62a_200000036426_100000747473 [0,2,0,0,0,0|1,0,1]=4 12317 B14R0.394 CCC#CCCCCCCSCC(=O)[O-] 62a_100020667443_200000036426 [0,2,0,0,0,0|0,0,2]=4 12318 B14R0.394 CCC#CCCCCCCSCC(=O)[O-] 62a_200000036426_100020667443 [0,2,0,0,0,0|0,0,2]=4 12319 B14R0.394 CCC#CCCOCCCCCC(=O)N 34a_100000036655_100009817443 [0,2,0,0,0,0|1,0,1]=4 12320 B14R0.394 CCC#CCCOCCCCCC(=O)N 7a_100000036655_100009817443 [0,2,0,0,0,0|1,0,1]=4 12321 B14R0.394 CCC/C=C/COCCCCCC(=O)N 34a_100016278788_100009817443 [0,2,0,0,0,0|1,0,1]=4 12322 B14R0.394 CCC/C=C/COCCCCCC(=O)N 7a_100016278788_100009817443 [0,2,0,0,0,0|1,0,1]=4 12323 B14R0.394 CCCC#CCCOCCCCC(=O)C 34a_100000042726_100009817362 [0,2,0,0,0,0|1,0,1]=4 12324 B14R0.394 CCCC#CCCOCCCCC(=O)C 7a_100000042726_100000735457 [0,2,0,0,0,0|1,0,1]=4 12325 B14R0.394 CCCC#CCOCCCCCC(=O)N 34a_100000034806_100009817443 [0,2,0,0,0,0|1,0,1]=4 12326 B14R0.394 CCCC#CCOCCCCCC(=O)N 7a_100000034806_100009817443 [0,2,0,0,0,0|1,0,1]=4 12327 B14R0.394 CCCC/C=C/CCCCOCC(=O)N 34a_200020645093_100000187820 [0,2,0,0,0,0|1,0,1]=4 12328 B14R0.394 CCCC/C=C/CCCCOCC(=O)N 7a_200020645093_100000187820 [0,2,0,0,0,0|1,0,1]=4 12329 B14R0.394 CCCC/C=C/CCCCOCC(=O)[O-] 34a_200020645093_100020667443 [0,2,0,0,0,0|0,0,2]=4 12330 B14R0.394 CCCC/C=C/COCCCCC(=O)C 34a_200016272032_100009817362 [0,2,0,0,0,0|1,0,1]=4 12331 B14R0.394 CCCC/C=C/COCCCCC(=O)C 7a_200016272032_100000735457 [0,2,0,0,0,0|1,0,1]=4 12332 B14R0.394 CCCC/C=C\CCOCCCC(=O)C 34a_200016286491_100000685027 [0,2,0,0,0,0|1,0,1]=4 12333 B14R0.394 CCCC/C=C\CCOCCCC(=O)C 7a_200016286491_100011215641 [0,2,0,0,0,0|1,0,1]=4 12334 B14R0.394 CCCC/C=C\CCOCCCC(=O)N 34a_200016286491_100102525003 [0,2,0,0,0,0|1,0,1]=4 12335 B14R0.394 CCCC/C=C\CCOCCCC(=O)N 7a_200016286491_100102525003 [0,2,0,0,0,0|1,0,1]=4 12336 B14R0.394 CCCCC#CCCCCCCC(=O)C 1458a_100000070787_200000043322 [0,2,0,0,0,0|1,0,0]=3 12337 B14R0.394 CCCCC#CCCCCOCC(=O)N 34a_200000066234_100000187820 [0,2,0,0,0,0|1,0,1]=4 12338 B14R0.394 CCCCC#CCCCCOCC(=O)N 7a_200000066234_100000187820 [0,2,0,0,0,0|1,0,1]=4 12339 B14R0.394 CCCCC#CCCCCOCC(=O)[O-] 34a_200000066234_100020667443 [0,2,0,0,0,0|0,0,2]=4 12340 B14R0.394 CCCCC#CCCCNOCC(=O)O 269956a_100000106656_200000047210 [0,2,0,0,0,0|0,0,2]=4 12341 B14R0.394 CCCCC#CCCCOCCC(=O)C 34a_100000759926_200000047210 [0,2,0,0,0,0|1,0,1]=4 12342 B14R0.394 CCCCC#CCCCOCCC(=O)C 7a_100000759926_200000047210 [0,2,0,0,0,0|1,0,1]=4 12343 B14R0.394 CCCCC#CCCCOCCC(=O)N 34a_100000757172_200000047210 [0,2,0,0,0,0|1,0,1]=4 12344 B14R0.394 CCCCC#CCCCOCCC(=O)N 7a_100000757172_200000047210 [0,2,0,0,0,0|1,0,1]=4 12345 B14R0.394 CCCCC#CCCCSCCC(=O)C 62a_100000053229_200000047210 [0,2,0,0,0,0|1,0,1]=4 12346 B14R0.394 CCCCC#CCCCSCCC(=O)C 62a_200000047210_100000053229 [0,2,0,0,0,0|1,0,1]=4 12347 B14R0.394 CCCCC#CCCCSCCC(=O)N 62a_100000744528_200000047210 [0,2,0,0,0,0|1,0,1]=4 12348 B14R0.394 CCCCC#CCCCSCCC(=O)N 62a_200000047210_100000744528 [0,2,0,0,0,0|1,0,1]=4 12349 B14R0.394 CCCCC#CCCOCCCC(=O)C 34a_100000037610_100000685027 [0,2,0,0,0,0|1,0,1]=4 12350 B14R0.394 CCCCC#CCCOCCCC(=O)C 7a_100000037610_100011215641 [0,2,0,0,0,0|1,0,1]=4 12351 B14R0.394 CCCCC#CCCOCCCC(=O)N 34a_100000037610_100102525003 [0,2,0,0,0,0|1,0,1]=4 12352 B14R0.394 CCCCC#CCCOCCCC(=O)N 7a_100000037610_100102525003 [0,2,0,0,0,0|1,0,1]=4 12353 B14R0.394 CCCCC#CCOCCCCC(=O)C 34a_200000034558_100009817362 [0,2,0,0,0,0|1,0,1]=4 12354 B14R0.394 CCCCC#CCOCCCCC(=O)C 7a_200000034558_100000735457 [0,2,0,0,0,0|1,0,1]=4 12355 B14R0.394 CCCCC/C=C/COCCCC(=O)C 34a_100016258190_100000685027 [0,2,0,0,0,0|1,0,1]=4 12356 B14R0.394 CCCCC/C=C/COCCCC(=O)C 7a_100016258190_100011215641 [0,2,0,0,0,0|1,0,1]=4 12357 B14R0.394 CCCCC/C=C/COCCCC(=O)N 34a_100016258190_100102525003 [0,2,0,0,0,0|1,0,1]=4 12358 B14R0.394 CCCCC/C=C/COCCCC(=O)N 7a_100016258190_100102525003 [0,2,0,0,0,0|1,0,1]=4 12359 B14R0.394 CCCCC/C=C\CCCOCC(=O)N 34a_100020655193_100000187820 [0,2,0,0,0,0|1,0,1]=4 12360 B14R0.394 CCCCC/C=C\CCCOCC(=O)N 7a_100020655193_100000187820 [0,2,0,0,0,0|1,0,1]=4 12361 B14R0.394 CCCCC/C=C\CCCOCC(=O)[O-] 34a_100020655193_100020667443 [0,2,0,0,0,0|0,0,2]=4 12362 B14R0.394 CCCCC/C=C\CCOCCC(=O)C 7a_100016277358_100000053229 [0,2,0,0,0,0|1,0,1]=4 12363 B14R0.394 CCCCC/C=C\CCOCCC(=O)N 34a_100016277358_100000731001 [0,2,0,0,0,0|1,0,1]=4 12364 B14R0.394 CCCCC/C=C\CCOCCC(=O)N 7a_100016277358_100000744528 [0,2,0,0,0,0|1,0,1]=4 12365 B14R0.394 CCCCCC#CCCOCCC(=O)C 7a_200000042877_100000053229 [0,2,0,0,0,0|1,0,1]=4 12366 B14R0.394 CCCCCC#CCCOCCC(=O)N 34a_200000042877_100000731001 [0,2,0,0,0,0|1,0,1]=4 12367 B14R0.394 CCCCCC#CCCOCCC(=O)N 7a_200000042877_100000744528 [0,2,0,0,0,0|1,0,1]=4 12368 B14R0.394 CCCCCC#CCNCCCC(=O)N 34a_100000739312_100009816472 [0,2,0,0,0,0|1,0,1]=4 12369 B14R0.394 CCCCCC#CCOCCCC(=O)C 34a_100000759063_100009816472 [0,2,0,0,0,0|1,0,1]=4 12370 B14R0.394 CCCCCC#CCOCCCC(=O)C 34a_200000033628_100000685027 [0,2,0,0,0,0|1,0,1]=4 12371 B14R0.394 CCCCCC#CCOCCCC(=O)C 7a_100000759063_100009816472 [0,2,0,0,0,0|1,0,1]=4 12372 B14R0.394 CCCCCC#CCOCCCC(=O)C 7a_200000033628_100011215641 [0,2,0,0,0,0|1,0,1]=4 12373 B14R0.394 CCCCCC#CCOCCCC(=O)N 34a_200000033628_100102525003 [0,2,0,0,0,0|1,0,1]=4 12374 B14R0.394 CCCCCC#CCOCCCC(=O)N 7a_200000033628_100102525003 [0,2,0,0,0,0|1,0,1]=4 12375 B14R0.394 CCCCCC#CCSCCCC(=O)C 62a_100009816472_100011215641 [0,2,0,0,0,0|1,0,1]=4 12376 B14R0.394 CCCCCC#CCSCCCC(=O)C 62a_100011215641_100009816472 [0,2,0,0,0,0|1,0,1]=4 12377 B14R0.394 CCCCCC#CCSCCCC(=O)N 62a_100009816472_100102525003 [0,2,0,0,0,0|1,0,1]=4 12378 B14R0.394 CCCCCC#CCSCCCC(=O)N 62a_100102525003_100009816472 [0,2,0,0,0,0|1,0,1]=4 12379 B14R0.394 CCCCCC/C=C/COCCC(=O)C 7a_200016276170_100000053229 [0,2,0,0,0,0|1,0,1]=4 12380 B14R0.394 CCCCCC/C=C/COCCC(=O)N 34a_200016276170_100000731001 [0,2,0,0,0,0|1,0,1]=4 12381 B14R0.394 CCCCCC/C=C/COCCC(=O)N 7a_200016276170_100000744528 [0,2,0,0,0,0|1,0,1]=4 12382 B14R0.394 CCCCCCC#CCCOCC(=O)N 34a_200000033163_100000187820 [0,2,0,0,0,0|1,0,1]=4 12383 B14R0.394 CCCCCCC#CCCOCC(=O)N 7a_200000033163_100000187820 [0,2,0,0,0,0|1,0,1]=4 12384 B14R0.394 CCCCCCC#CCCOCC(=O)[O-] 34a_200000033163_100020667443 [0,2,0,0,0,0|0,0,2]=4 12385 B14R0.394 CCCCCCC#CCOCCC(=O)C 7a_200000037284_100000053229 [0,2,0,0,0,0|1,0,1]=4 12386 B14R0.394 CCCCCCC#CCOCCC(=O)N 34a_200000037284_100000731001 [0,2,0,0,0,0|1,0,1]=4 12387 B14R0.394 CCCCCCC#CCOCCC(=O)N 7a_200000037284_100000744528 [0,2,0,0,0,0|1,0,1]=4 12388 B14R0.394 CCCCCCCC#CCOCC(=O)N 34a_200000061759_100000187820 [0,2,0,0,0,0|1,0,1]=4 12389 B14R0.394 CCCCCCCC#CCOCC(=O)N 7a_200000061759_100000187820 [0,2,0,0,0,0|1,0,1]=4 12390 B14R0.394 CCCCCCCC#CCOCC(=O)[O-] 34a_200000061759_100020667443 [0,2,0,0,0,0|0,0,2]=4 12391 B14R0.394 CCCCCCCCCC=NNC(=O)C 4a_100000189765_100000210895 [0,2,0,0,0,0|1,0,1]=4 12392 B14R0.394 CCCCCCCCCCCCC(=O)C 1458a_100000070787_100000759014 [0,2,0,0,0,0|1,0,0]=3 12393 B14R0.394 CCCCCCCCCCCCC(=O)C 1458a_100011215791_200000210301 [0,2,0,0,0,0|1,0,0]=3 12394 B14R0.394 CCCCCCCCCCCCC(=O)[13CH3] 1458a_100011215791_200025704644 [0,2,0,0,0,0|1,0,0]=3 12395 B14R0.394 CCCCCCCCCCCNC(=O)C 11a_200011215754_100015343762 [0,2,0,0,0,0|1,0,0]=3 12396 B14R0.394 CCCCCCCCCCCNC(=O)C 1626a_200011215754_100015343762 [0,2,0,0,0,0|1,0,0]=3 12397 B14R0.394 CCCCCCCCCCCNC(=O)C 240690a_200011215754_100015343762 [0,2,0,0,0,0|1,0,0]=3 12398 B14R0.394 CCCCCCCCCCCNC(=O)C 527a_200011215754_100103153847 [0,2,0,0,0,0|1,0,0]=3 12399 B14R0.394 CCCCCCCCCCNCC(=O)N 2230a_100000684558_100000747473 [0,2,0,0,0,0|1,0,0]=3 12400 B14R0.394 CCCCCCCCCCNCC(=O)N 2230a_100000711301_100000210320 [0,2,0,0,0,0|1,0,0]=3 12401 B14R0.394 CCCCCCCCCCNCC(=O)N 34a_100000684558_100000187820 [0,2,0,0,0,0|1,0,0]=3 12402 B14R0.394 CCCCCCCCCCNCC(=O)O 269956a_100016091260_100000210320 [0,2,0,0,0,0|0,0,0]=2 12403 B14R0.394 CCCCCCCCCCNCC(=O)[O-] 34a_100000684558_100020667443 [0,2,0,0,0,0|0,0,1]=3 12404 B14R0.394 CCCCCCCCCCNCC(C)O 2230a_100000210904_100000210320 [0,2,0,0,0,0|1,0,1]=4 12405 B14R0.394 CCCCCCCCCCNCC(C)O 2230a_100000684558_100011218427 [0,2,0,0,0,0|1,0,1]=4 12406 B14R0.394 CCCCCCCCCCNCC(C)O 34a_100000210904_100000210320 [0,2,0,0,0,0|1,0,1]=4 12407 B14R0.394 CCCCCCCCCCNCC(C)O 34a_100000684558_100011218427 [0,2,0,0,0,0|1,0,1]=4 12408 B14R0.394 CCCCCCCCCCNC[C@@H](C)O 2230a_100000684558_100009817552 [0,2,0,0,0,0|1,0,1]=4 12409 B14R0.394 CCCCCCCCCCNC[C@@H](C)O 34a_100000684558_100009817552 [0,2,0,0,0,0|1,0,1]=4 12410 B14R0.394 CCCCCCCCCCNC[N+](=O)[O-] 34a_100000684558_100000761209 [0,2,0,0,0,0|1,0,1]=4 12411 B14R0.394 CCCCCCCCCCOCC(=O)C 34a_100000211253_100000210320 [0,2,0,0,0,0|1,0,0]=3 12412 B14R0.394 CCCCCCCCCCOCC(=O)N 34a_100000210711_100000187820 [0,2,0,0,0,0|1,0,0]=3 12413 B14R0.394 CCCCCCCCCCOCC(=O)N 7a_100000210711_100000187820 [0,2,0,0,0,0|1,0,0]=3 12414 B14R0.394 CCCCCCCCCCOCC(=O)[O-] 34a_100000210711_100020667443 [0,2,0,0,0,0|0,0,1]=3 12415 B14R0.394 CCCCCCCCCCOCC(C)O 34a_100000210711_100011218427 [0,2,0,0,0,0|1,0,1]=4 12416 B14R0.394 CCCCCCCCCCOCC(C)O 7a_100000210711_100011218427 [0,2,0,0,0,0|1,0,1]=4 12417 B14R0.394 CCCCCCCCCCOC[C@@H](C)O 34a_100000210711_100009817552 [0,2,0,0,0,0|1,0,1]=4 12418 B14R0.394 CCCCCCCCCCOC[C@@H](C)O 7a_100000210711_100009817552 [0,2,0,0,0,0|1,0,1]=4 12419 B14R0.394 CCCCCCCCCCOC[N+](=O)[O-] 34a_100000210711_100000761209 [0,2,0,0,0,0|1,0,1]=4 12420 B14R0.394 CCCCCCCCCCSCC(=O)N 62a_100000747473_100000210320 [0,2,0,0,0,0|1,0,0]=3 12421 B14R0.394 CCCCCCCCCCSCC(=O)[O-] 62a_100020667443_100000210320 [0,2,0,0,0,0|0,0,1]=3 12422 B14R0.394 CCCCCCCCCCSCC(C)O 62a_100011218427_100000210320 [0,2,0,0,0,0|1,0,1]=4 12423 B14R0.394 CCCCCCCCCCSC[C@@H](C)O 62a_100009817552_100000210320 [0,2,0,0,0,0|1,0,1]=4 12424 B14R0.394 CCCCCCCCCNCC=C(C)C 2230a_100000212291_100000761012 [0,2,0,0,0,0|2,0,0]=4 12425 B14R0.394 CCCCCCCCCNCC=C(C)C 34a_100000212291_100000761012 [0,2,0,0,0,0|2,0,0]=4 12426 B14R0.394 CCCCCCCCCNCC=C(C)C 34a_100000718196_100011214924 [0,2,0,0,0,0|2,0,0]=4 12427 B14R0.394 CCCCCCCCCNCCC(=O)N 2230a_100000212291_100000744528 [0,2,0,0,0,0|1,0,0]=3 12428 B14R0.394 CCCCCCCCCNCCC(=O)N 34a_100000212291_100000731001 [0,2,0,0,0,0|1,0,0]=3 12429 B14R0.394 CCCCCCCCCNCCC(C)O 2230a_100000212291_100012276601 [0,2,0,0,0,0|1,0,1]=4 12430 B14R0.394 CCCCCCCCCNCCC(C)O 2230a_200000755665_100011214924 [0,2,0,0,0,0|1,0,1]=4 12431 B14R0.394 CCCCCCCCCNCCC(C)O 34a_100000212291_100012276601 [0,2,0,0,0,0|1,0,1]=4 12432 B14R0.394 CCCCCCCCCNCOC(=O)C 34a_100000212291_100009813279 [0,2,0,0,0,0|1,0,0]=3 12433 B14R0.394 CCCCCCCCCNOCC(=O)O 269956a_100000106656_100000210670 [0,2,0,0,0,0|0,0,0]=2 12434 B14R0.394 CCCCCCCCCOCC=C(C)C 34a_100000210712_100000761012 [0,2,0,0,0,0|2,0,0]=4 12435 B14R0.394 CCCCCCCCCOCC=C(C)C 34a_100000753907_100011214924 [0,2,0,0,0,0|2,0,0]=4 12436 B14R0.394 CCCCCCCCCOCC=C(C)C 7a_100000210712_100000761012 [0,2,0,0,0,0|2,0,0]=4 12437 B14R0.394 CCCCCCCCCOCCC(=O)C 34a_100000759926_100011214924 [0,2,0,0,0,0|1,0,0]=3 12438 B14R0.394 CCCCCCCCCOCCC(=O)C 7a_100000210712_100000053229 [0,2,0,0,0,0|1,0,0]=3 12439 B14R0.394 CCCCCCCCCOCCC(=O)C 7a_100000759926_100000210328 [0,2,0,0,0,0|1,0,0]=3 12440 B14R0.394 CCCCCCCCCOCCC(=O)N 34a_100000210712_100000731001 [0,2,0,0,0,0|1,0,0]=3 12441 B14R0.394 CCCCCCCCCOCCC(=O)N 34a_100000757172_100011214924 [0,2,0,0,0,0|1,0,0]=3 12442 B14R0.394 CCCCCCCCCOCCC(=O)N 7a_100000210712_100000744528 [0,2,0,0,0,0|1,0,0]=3 12443 B14R0.394 CCCCCCCCCOCCC(=O)N 7a_100000757172_100000210328 [0,2,0,0,0,0|1,0,0]=3 12444 B14R0.394 CCCCCCCCCOCCC(C)O 34a_100000210712_100012276601 [0,2,0,0,0,0|1,0,1]=4 12445 B14R0.394 CCCCCCCCCOCCC(C)O 7a_100000210712_100012276601 [0,2,0,0,0,0|1,0,1]=4 12446 B14R0.394 CCCCCCCCCOCOC(=O)C 34a_100000210712_100009813279 [0,2,0,0,0,0|1,0,0]=3 12447 B14R0.394 CCCCCCCCCSCC=C(C)C 62a_100000761012_100000210670 [0,2,0,0,0,0|2,0,0]=4 12448 B14R0.394 CCCCCCCCCSCCC(=O)C 62a_100000053229_100000210670 [0,2,0,0,0,0|1,0,0]=3 12449 B14R0.394 CCCCCCCCCSCCC(=O)N 62a_100000744528_100000210670 [0,2,0,0,0,0|1,0,0]=3 12450 B14R0.394 CCCCCCCCCSCCC(C)O 62a_100012276601_100000210670 [0,2,0,0,0,0|1,0,1]=4 12451 B14R0.394 CCCCCCCCCSCOC(=O)C 62a_100000076356_100000210670 [0,2,0,0,0,0|1,0,0]=3 12452 B14R0.394 CCCCCCCCNCCC=C(C)C 2230a_100000229939_100011217483 [0,2,0,0,0,0|2,0,0]=4 12453 B14R0.394 CCCCCCCCNCCC=C(C)C 34a_100000229939_100011217483 [0,2,0,0,0,0|2,0,0]=4 12454 B14R0.394 CCCCCCCCNCCC=C(F)F 2230a_100000229939_200009816681 [0,2,0,0,0,0|2,0,0]=4 12455 B14R0.394 CCCCCCCCNCCC=C(F)F 34a_100000229939_200009816681 [0,2,0,0,0,0|2,0,0]=4 12456 B14R0.394 CCCCCCCCNCCCC(=O)C 34a_100000229939_100000685027 [0,2,0,0,0,0|1,0,0]=3 12457 B14R0.394 CCCCCCCCNCCCC(=O)N 34a_100000229939_100102525003 [0,2,0,0,0,0|1,0,0]=3 12458 B14R0.394 CCCCCCCCNCCCC(=O)N 34a_100000739312_100000210759 [0,2,0,0,0,0|1,0,0]=3 12459 B14R0.394 CCCCCCCCNCCCC(C)O 2230a_100000229939_200000718107 [0,2,0,0,0,0|1,0,1]=4 12460 B14R0.394 CCCCCCCCNCCCC(C)O 34a_100000229939_200000718107 [0,2,0,0,0,0|1,0,1]=4 12461 B14R0.394 CCCCCCCCNCCCS(=O)C 2230a_200000753449_100000210759 [0,2,0,0,0,0|2,0,0]=4 12462 B14R0.394 CCCCCCCCNCCNC(=O)C 2230a_100000209853_100000210759 [0,2,0,0,0,0|1,0,0]=3 12463 B14R0.394 CCCCCCCCNCCNC(=O)C 2230a_100000229939_100000189650 [0,2,0,0,0,0|1,0,0]=3 12464 B14R0.394 CCCCCCCCNCCNC(=O)N 2230a_100000229939_200000034859 [0,2,0,0,0,0|1,0,0]=3 12465 B14R0.394 CCCCCCCCNCCNC(=O)N 34a_100020590234_100000210759 [0,2,0,0,0,0|1,0,0]=3 12466 B14R0.394 CCCCCCCCNCCOC(=O)C 34a_100000229939_100009814007 [0,2,0,0,0,0|1,0,0]=3 12467 B14R0.394 CCCCCCCCNCCOC(=O)N 34a_100000229939_200011214921 [0,2,0,0,0,0|1,0,0]=3 12468 B14R0.394 CCCCCCCCOCCC=C(C)C 34a_100000210232_100011217483 [0,2,0,0,0,0|2,0,0]=4 12469 B14R0.394 CCCCCCCCOCCC=C(C)C 7a_100000210232_100011217483 [0,2,0,0,0,0|2,0,0]=4 12470 B14R0.394 CCCCCCCCOCCC=C(F)F 34a_100000210232_200009816681 [0,2,0,0,0,0|2,0,0]=4 12471 B14R0.394 CCCCCCCCOCCC=C(F)F 7a_100000210232_200009816681 [0,2,0,0,0,0|2,0,0]=4 12472 B14R0.394 CCCCCCCCOCCCC(=O)C 34a_100000210232_100000685027 [0,2,0,0,0,0|1,0,0]=3 12473 B14R0.394 CCCCCCCCOCCCC(=O)C 34a_100000759063_100000210759 [0,2,0,0,0,0|1,0,0]=3 12474 B14R0.394 CCCCCCCCOCCCC(=O)C 7a_100000210232_100011215641 [0,2,0,0,0,0|1,0,0]=3 12475 B14R0.394 CCCCCCCCOCCCC(=O)C 7a_100000759063_100000210759 [0,2,0,0,0,0|1,0,0]=3 12476 B14R0.394 CCCCCCCCOCCCC(=O)N 34a_100000210232_100102525003 [0,2,0,0,0,0|1,0,0]=3 12477 B14R0.394 CCCCCCCCOCCCC(=O)N 7a_100000210232_100102525003 [0,2,0,0,0,0|1,0,0]=3 12478 B14R0.394 CCCCCCCCOCCCC(C)O 34a_100000210232_200000718107 [0,2,0,0,0,0|1,0,1]=4 12479 B14R0.394 CCCCCCCCOCCCC(C)O 7a_100000210232_200000718107 [0,2,0,0,0,0|1,0,1]=4 12480 B14R0.394 CCCCCCCCOCCC[N+](=O)[O-] 34a_200000037920_100000210759 [0,2,0,0,0,0|1,0,1]=4 12481 B14R0.394 CCCCCCCCOCCNC(=O)C 34a_100000158858_100000210759 [0,2,0,0,0,0|1,0,0]=3 12482 B14R0.394 CCCCCCCCOCCNC(=O)C 7a_100000210232_100000189650 [0,2,0,0,0,0|1,0,0]=3 12483 B14R0.394 CCCCCCCCOCCNC(=O)N 34a_100000181757_100000210759 [0,2,0,0,0,0|1,0,0]=3 12484 B14R0.394 CCCCCCCCOCCNC(=O)N 7a_100000210232_200000034859 [0,2,0,0,0,0|1,0,0]=3 12485 B14R0.394 CCCCCCCCOCCOC(=O)C 34a_100000210232_100009814007 [0,2,0,0,0,0|1,0,0]=3 12486 B14R0.394 CCCCCCCCOCCOC(=O)C 7a_100000210232_100009814007 [0,2,0,0,0,0|1,0,0]=3 12487 B14R0.394 CCCCCCCCOCCOC(=O)N 34a_100000210232_200011214921 [0,2,0,0,0,0|1,0,0]=3 12488 B14R0.394 CCCCCCCCOCCOC(=O)N 7a_100000210232_200011214921 [0,2,0,0,0,0|1,0,0]=3 12489 B14R0.394 CCCCCCCCOCCOC(=O)N 7a_100000766696_100000210759 [0,2,0,0,0,0|1,0,0]=3 12490 B14R0.394 CCCCCCCCSCCC=C(C)C 62a_100000210759_100011217483 [0,2,0,0,0,0|2,0,0]=4 12491 B14R0.394 CCCCCCCCSCCC=C(C)C 62a_100011217483_100000210317 [0,2,0,0,0,0|2,0,0]=4 12492 B14R0.394 CCCCCCCCSCCC=C(F)F 62a_100000210759_200009816681 [0,2,0,0,0,0|2,0,0]=4 12493 B14R0.394 CCCCCCCCSCCC=C(F)F 62a_200009816681_100000210317 [0,2,0,0,0,0|2,0,0]=4 12494 B14R0.394 CCCCCCCCSCCCC(=O)C 62a_100000210759_100011215641 [0,2,0,0,0,0|1,0,0]=3 12495 B14R0.394 CCCCCCCCSCCCC(=O)C 62a_100011215641_100000210317 [0,2,0,0,0,0|1,0,0]=3 12496 B14R0.394 CCCCCCCCSCCCC(=O)N 62a_100000210759_100102525003 [0,2,0,0,0,0|1,0,0]=3 12497 B14R0.394 CCCCCCCCSCCCC(=O)N 62a_100102525003_100000210317 [0,2,0,0,0,0|1,0,0]=3 12498 B14R0.394 CCCCCCCCSCCCC(C)O 62a_100000210759_200000718107 [0,2,0,0,0,0|1,0,1]=4 12499 B14R0.394 CCCCCCCCSCCCC(C)O 62a_200000718107_100000210317 [0,2,0,0,0,0|1,0,1]=4 12500 B14R0.394 CCCCCCCCSCCNC(=O)C 62a_100000189650_100000210317 [0,2,0,0,0,0|1,0,0]=3 12501 B14R0.394 CCCCCCCCSCCNC(=O)C 62a_100000210759_100000189650 [0,2,0,0,0,0|1,0,0]=3 12502 B14R0.394 CCCCCCCCSCCNC(=O)N 62a_100000210759_200000034859 [0,2,0,0,0,0|1,0,0]=3 12503 B14R0.394 CCCCCCCCSCCNC(=O)N 62a_200000034859_100000210317 [0,2,0,0,0,0|1,0,0]=3 12504 B14R0.394 CCCCCCCCSCCOC(=O)C 62a_100000210759_100009814007 [0,2,0,0,0,0|1,0,0]=3 12505 B14R0.394 CCCCCCCCSCCOC(=O)C 62a_100009814007_100000210317 [0,2,0,0,0,0|1,0,0]=3 12506 B14R0.394 CCCCCCCCSCCOC(=O)N 62a_100000210759_200011214921 [0,2,0,0,0,0|1,0,0]=3 12507 B14R0.394 CCCCCCCCSCCOC(=O)N 62a_200011214921_100000210317 [0,2,0,0,0,0|1,0,0]=3 12508 B14R0.394 CCCCCCCNCCCCB(O)O 2230a_100000229938_200009817182 [0,2,0,0,0,0|1,0,1]=4 12509 B14R0.394 CCCCCCCNCCCCC(=O)N 34a_100000696515_100000210614 [0,2,0,0,0,0|1,0,0]=3 12510 B14R0.394 CCCCCCCNCCCNC(=O)C 34a_100000736810_100000210614 [0,2,0,0,0,0|1,0,0]=3 12511 B14R0.394 CCCCCCCNCCCOC(=S)C 2230a_100000229938_200135323944 [0,2,0,0,0,0|1,1,0]=4 12512 B14R0.394 CCCCCCCNCCCSC(=O)C 2230a_100000229938_100000038929 [0,2,0,0,0,0|1,0,0]=3 12513 B14R0.394 CCCCCCCNCCOCC(=O)N 2230a_100000229938_100000076697 [0,2,0,0,0,0|1,0,0]=3 12514 B14R0.394 CCCCCCCNCCOCC(=O)O 269956a_100000700818_100000210614 [0,2,0,0,0,0|0,0,0]=2 12515 B14R0.394 CCCCCCCOCCCCB(O)O 34a_100000210272_200009817182 [0,2,0,0,0,0|1,0,1]=4 12516 B14R0.394 CCCCCCCOCCCCB(O)O 7a_100000210272_200009817182 [0,2,0,0,0,0|1,0,1]=4 12517 B14R0.394 CCCCCCCOCCCCC(=O)C 34a_100000210272_100009817362 [0,2,0,0,0,0|1,0,0]=3 12518 B14R0.394 CCCCCCCOCCCCC(=O)C 7a_100000210272_100000735457 [0,2,0,0,0,0|1,0,0]=3 12519 B14R0.394 CCCCCCCOCCCCC(=O)N 34a_100012022536_100000210614 [0,2,0,0,0,0|1,0,0]=3 12520 B14R0.394 CCCCCCCOCCCCC(=O)N 7a_100012022536_100000210614 [0,2,0,0,0,0|1,0,0]=3 12521 B14R0.394 CCCCCCCOCCCC[N+](=O)[O-] 34a_200015379883_100000210614 [0,2,0,0,0,0|1,0,1]=4 12522 B14R0.394 CCCCCCCOCCCC[N+](=O)[O-] 7a_200015379883_100000210614 [0,2,0,0,0,0|1,0,1]=4 12523 B14R0.394 CCCCCCCOCCCNC(=O)C 34a_100000752032_100000210614 [0,2,0,0,0,0|1,0,0]=3 12524 B14R0.394 CCCCCCCOCCCOC(=O)C 34a_100000210272_100000042594 [0,2,0,0,0,0|1,0,0]=3 12525 B14R0.394 CCCCCCCOCCCOC(=O)C 7a_100000210272_100000042594 [0,2,0,0,0,0|1,0,0]=3 12526 B14R0.394 CCCCCCCOCCCOC(=S)C 34a_100000210272_200135323944 [0,2,0,0,0,0|1,1,0]=4 12527 B14R0.394 CCCCCCCOCCCOC(=S)C 7a_100000210272_200135323944 [0,2,0,0,0,0|1,1,0]=4 12528 B14R0.394 CCCCCCCOCCCSC(=O)C 34a_100000210272_100000038929 [0,2,0,0,0,0|1,0,0]=3 12529 B14R0.394 CCCCCCCOCCCSC(=O)C 7a_100000210272_100000038929 [0,2,0,0,0,0|1,0,0]=3 12530 B14R0.394 CCCCCCCOCCOCC(=O)N 34a_100000210272_100000076697 [0,2,0,0,0,0|1,0,0]=3 12531 B14R0.394 CCCCCCCOCCOCC(=O)N 7a_100000210272_100000076697 [0,2,0,0,0,0|1,0,0]=3 12532 B14R0.394 CCCCCCCSCCCCB(O)O 62a_100000210614_200009817182 [0,2,0,0,0,0|1,0,1]=4 12533 B14R0.394 CCCCCCCSCCCCB(O)O 62a_200009817182_100000210316 [0,2,0,0,0,0|1,0,1]=4 12534 B14R0.394 CCCCCCCSCCCCC(=O)C 62a_100000210614_100000735457 [0,2,0,0,0,0|1,0,0]=3 12535 B14R0.394 CCCCCCCSCCCCC(=O)C 62a_100000735457_100000210316 [0,2,0,0,0,0|1,0,0]=3 12536 B14R0.394 CCCCCCCSCCCOC(=O)C 62a_100000042594_100000210316 [0,2,0,0,0,0|1,0,0]=3 12537 B14R0.394 CCCCCCCSCCCOC(=O)C 62a_100000210614_100000042594 [0,2,0,0,0,0|1,0,0]=3 12538 B14R0.394 CCCCCCCSCCCOC(=S)C 62a_100000210614_200135323944 [0,2,0,0,0,0|1,1,0]=4 12539 B14R0.394 CCCCCCCSCCCOC(=S)C 62a_200135323944_100000210316 [0,2,0,0,0,0|1,1,0]=4 12540 B14R0.394 CCCCCCCSCCCSC(=O)C 62a_100000038929_100000210316 [0,2,0,0,0,0|1,0,0]=3 12541 B14R0.394 CCCCCCCSCCCSC(=O)C 62a_100000210614_100000038929 [0,2,0,0,0,0|1,0,0]=3 12542 B14R0.394 CCCCCCCSCCOCC(=O)N 62a_100000076697_100000210316 [0,2,0,0,0,0|1,0,0]=3 12543 B14R0.394 CCCCCCCSCCOCC(=O)N 62a_100000210614_100000076697 [0,2,0,0,0,0|1,0,0]=3 12544 B14R0.394 CCCCCCNCCCCCB(O)O 2230a_100000210581_200009817188 [0,2,0,0,0,0|1,0,1]=4 12545 B14R0.394 CCCCCCNCCCCCC(=O)N 2230a_100000210581_100009817443 [0,2,0,0,0,0|1,0,0]=3 12546 B14R0.394 CCCCCCNCCCCNC(=O)C 2230a_200011368371_100000210314 [0,2,0,0,0,0|1,0,0]=3 12547 B14R0.394 CCCCCCNCCCCNC(=O)C 34a_200011368371_100000210314 [0,2,0,0,0,0|1,0,0]=3 12548 B14R0.394 CCCCCCNCCCCSC(=O)C 2230a_100000210581_200010402107 [0,2,0,0,0,0|1,0,0]=3 12549 B14R0.394 CCCCCCOCCCCCB(O)O 34a_100000210259_200009817188 [0,2,0,0,0,0|1,0,1]=4 12550 B14R0.394 CCCCCCOCCCCCB(O)O 7a_100000210259_200009817188 [0,2,0,0,0,0|1,0,1]=4 12551 B14R0.394 CCCCCCOCCCCCC(=O)N 34a_100000123541_100000210314 [0,2,0,0,0,0|1,0,0]=3 12552 B14R0.394 CCCCCCOCCCCCC(=O)N 34a_100000210259_100009817443 [0,2,0,0,0,0|1,0,0]=3 12553 B14R0.394 CCCCCCOCCCCCC(=O)N 7a_100000123541_100000210314 [0,2,0,0,0,0|1,0,0]=3 12554 B14R0.394 CCCCCCOCCCCCC(=O)N 7a_100000210259_100009817443 [0,2,0,0,0,0|1,0,0]=3 12555 B14R0.394 CCCCCCOCCCCCC(=O)[O-] 7a_100102619762_100000210314 [0,2,0,0,0,0|0,0,1]=3 12556 B14R0.394 CCCCCCOCCCCOC(=O)C 34a_100000073216_100000210314 [0,2,0,0,0,0|1,0,0]=3 12557 B14R0.394 CCCCCCOCCCCOC(=O)C 34a_100000210259_100000033659 [0,2,0,0,0,0|1,0,0]=3 12558 B14R0.394 CCCCCCOCCCCOC(=O)C 7a_100000073216_100000210314 [0,2,0,0,0,0|1,0,0]=3 12559 B14R0.394 CCCCCCOCCCCOC(=O)C 7a_100000210259_100000033659 [0,2,0,0,0,0|1,0,0]=3 12560 B14R0.394 CCCCCCOCCCCO[N+](=O)[O-] 34a_100000210259_100015694321 [0,2,0,0,0,0|1,0,1]=4 12561 B14R0.394 CCCCCCOCCCCO[N+](=O)[O-] 7a_100000210259_100015694321 [0,2,0,0,0,0|1,0,1]=4 12562 B14R0.394 CCCCCCOCCCCSC(=O)C 34a_100000210259_200010402107 [0,2,0,0,0,0|1,0,0]=3 12563 B14R0.394 CCCCCCOCCCCSC(=O)C 7a_100000210259_200010402107 [0,2,0,0,0,0|1,0,0]=3 12564 B14R0.394 CCCCCCOCCOCCC(=O)C 7a_100000691444_100000053229 [0,2,0,0,0,0|1,0,0]=3 12565 B14R0.394 CCCCCCOCCOCCC(=O)N 34a_100000691444_100000731001 [0,2,0,0,0,0|1,0,0]=3 12566 B14R0.394 CCCCCCOCCOCCC(=O)N 7a_100000691444_100000744528 [0,2,0,0,0,0|1,0,0]=3 12567 B14R0.394 CCCCCCOCCOCCC(C)O 34a_100000691444_100012276601 [0,2,0,0,0,0|1,0,1]=4 12568 B14R0.394 CCCCCCOCCOCCC(C)O 7a_100000691444_100012276601 [0,2,0,0,0,0|1,0,1]=4 12569 B14R0.394 CCCCCCOCCOCOC(=O)C 34a_100000691444_100009813279 [0,2,0,0,0,0|2,0,0]=4 12570 B14R0.394 CCCCCCOCOCCOC(=O)C 34a_100000210259_100000076355 [0,2,0,0,0,0|2,0,0]=4 12571 B14R0.394 CCCCCCSCCCCCB(O)O 62a_100000210314_200009817188 [0,2,0,0,0,0|1,0,1]=4 12572 B14R0.394 CCCCCCSCCCCCB(O)O 62a_200009817188_100000210757 [0,2,0,0,0,0|1,0,1]=4 12573 B14R0.394 CCCCCCSCCCCCC(=O)N 62a_100000210314_100009817443 [0,2,0,0,0,0|1,0,0]=3 12574 B14R0.394 CCCCCCSCCCCCC(=O)N 62a_100009817443_100000210757 [0,2,0,0,0,0|1,0,0]=3 12575 B14R0.394 CCCCCCSCCCCOC(=O)C 62a_100000033659_100000210757 [0,2,0,0,0,0|1,0,0]=3 12576 B14R0.394 CCCCCCSCCCCOC(=O)C 62a_100000210314_100000033659 [0,2,0,0,0,0|1,0,0]=3 12577 B14R0.394 CCCCCCSCCCCO[N+](=O)[O-] 62a_100000210314_100015694321 [0,2,0,0,0,0|1,0,1]=4 12578 B14R0.394 CCCCCCSCCCCSC(=O)C 62a_100000210314_200010402107 [0,2,0,0,0,0|1,0,0]=3 12579 B14R0.394 CCCCCCSCCCCSC(=O)C 62a_200010402107_100000210757 [0,2,0,0,0,0|1,0,0]=3 12580 B14R0.394 CCCCCCSCOCCOC(=O)C 62a_100000076355_100000210757 [0,2,0,0,0,0|2,0,0]=4 12581 B14R0.394 CCCCCCSCOCCOC(=O)C 62a_100000210314_100000076355 [0,2,0,0,0,0|2,0,0]=4 12582 B14R0.394 CCCCCNCCCCCCB(O)O 2230a_100000209983_100009817187 [0,2,0,0,0,0|1,0,1]=4 12583 B14R0.394 CCCCCNCCCCCNC(=O)C 2230a_200012022750_100000210326 [0,2,0,0,0,0|1,0,0]=3 12584 B14R0.394 CCCCCNCCCCCNC(=O)C 34a_200012022750_100000718602 [0,2,0,0,0,0|1,0,0]=3 12585 B14R0.394 CCCCCNCCCCCOC(=O)C 2230a_100000209983_100009813381 [0,2,0,0,0,0|1,0,0]=3 12586 B14R0.394 CCCCCNCCOCCCC(=O)C 34a_100000224656_100000685027 [0,2,0,0,0,0|1,0,0]=3 12587 B14R0.394 CCCCCNCCOCCCC(=O)N 34a_100000224656_100102525003 [0,2,0,0,0,0|1,0,0]=3 12588 B14R0.394 CCCCCNCCOCCCC(C)O 34a_100000224656_200000718107 [0,2,0,0,0,0|1,0,1]=4 12589 B14R0.394 CCCCCNCCOCCOC(=O)C 2230a_100000209983_200000083610 [0,2,0,0,0,0|2,0,0]=4 12590 B14R0.394 CCCCCNCCOCCOC(=O)C 34a_100000224656_100009814007 [0,2,0,0,0,0|2,0,0]=4 12591 B14R0.394 CCCCCNCCOCCOC(=O)N 34a_100000224656_200011214921 [0,2,0,0,0,0|2,0,0]=4 12592 B14R0.394 CCCCCOCCCCCCB(O)O 34a_100000210253_100009817187 [0,2,0,0,0,0|1,0,1]=4 12593 B14R0.394 CCCCCOCCCCCCB(O)O 7a_100000210253_100009817187 [0,2,0,0,0,0|1,0,1]=4 12594 B14R0.394 CCCCCOCCCCCOC(=O)C 34a_100000210253_100000033007 [0,2,0,0,0,0|1,0,0]=3 12595 B14R0.394 CCCCCOCCCCCOC(=O)C 7a_100000210253_100000033007 [0,2,0,0,0,0|1,0,0]=3 12596 B14R0.394 CCCCCOCCOCCCC(=O)C 34a_100011215259_100000685027 [0,2,0,0,0,0|1,0,0]=3 12597 B14R0.394 CCCCCOCCOCCCC(=O)C 7a_100011215259_100011215641 [0,2,0,0,0,0|1,0,0]=3 12598 B14R0.394 CCCCCOCCOCCCC(=O)N 34a_100011215259_100102525003 [0,2,0,0,0,0|1,0,0]=3 12599 B14R0.394 CCCCCOCCOCCCC(=O)N 7a_100011215259_100102525003 [0,2,0,0,0,0|1,0,0]=3 12600 B14R0.394 CCCCCOCCOCCCC(C)O 34a_100011215259_200000718107 [0,2,0,0,0,0|1,0,1]=4 12601 B14R0.394 CCCCCOCCOCCCC(C)O 7a_100011215259_200000718107 [0,2,0,0,0,0|1,0,1]=4 12602 B14R0.394 CCCCCOCCOCCNC(=O)C 7a_100011215259_100000189650 [0,2,0,0,0,0|2,0,0]=4 12603 B14R0.394 CCCCCOCCOCCNC(=O)N 7a_100011215259_200000034859 [0,2,0,0,0,0|2,0,0]=4 12604 B14R0.394 CCCCCOCCOCCOC(=O)C 34a_100000210253_200000083610 [0,2,0,0,0,0|2,0,0]=4 12605 B14R0.394 CCCCCOCCOCCOC(=O)C 34a_100011215259_100009814007 [0,2,0,0,0,0|2,0,0]=4 12606 B14R0.394 CCCCCOCCOCCOC(=O)C 7a_100000210253_200000083610 [0,2,0,0,0,0|2,0,0]=4 12607 B14R0.394 CCCCCOCCOCCOC(=O)C 7a_100011215259_100009814007 [0,2,0,0,0,0|2,0,0]=4 12608 B14R0.394 CCCCCOCCOCCOC(=O)N 34a_100011215259_200011214921 [0,2,0,0,0,0|2,0,0]=4 12609 B14R0.394 CCCCCOCCOCCOC(=O)N 7a_100011215259_200011214921 [0,2,0,0,0,0|2,0,0]=4 12610 B14R0.394 CCCCCSCCCCCCB(O)O 62a_100000210326_100009817187 [0,2,0,0,0,0|1,0,1]=4 12611 B14R0.394 CCCCCSCCCCCCB(O)O 62a_100009817187_100000210326 [0,2,0,0,0,0|1,0,1]=4 12612 B14R0.394 CCCCCSCCCCCOC(=O)C 62a_100000033007_100000210326 [0,2,0,0,0,0|1,0,0]=3 12613 B14R0.394 CCCCCSCCCCCOC(=O)C 62a_100000210326_100000033007 [0,2,0,0,0,0|1,0,0]=3 12614 B14R0.394 CCCCCSCCOCCOC(=O)C 62a_100000210326_200000083610 [0,2,0,0,0,0|2,0,0]=4 12615 B14R0.394 CCCCCSCCOCCOC(=O)C 62a_200000083610_100000210326 [0,2,0,0,0,0|2,0,0]=4 12616 B14R0.394 CCCCNCCCCCCNC(=O)C 2230a_200011996284_100000210211 [0,2,0,0,0,0|1,0,0]=3 12617 B14R0.394 CCCCNCCCCCCNC(=O)C 34a_200011996284_100000210210 [0,2,0,0,0,0|1,0,0]=3 12618 B14R0.394 CCCCNCCCCOCCC(=O)N 34a_200011216965_100000731001 [0,2,0,0,0,0|1,0,0]=3 12619 B14R0.394 CCCCNCCCCOCCC(C)O 34a_200011216965_100012276601 [0,2,0,0,0,0|1,0,1]=4 12620 B14R0.394 CCCCNCCCCOCOC(=O)C 34a_200011216965_100009813279 [0,2,0,0,0,0|2,0,0]=4 12621 B14R0.394 CCCCNCCOCCOCC(=O)O 269956a_100009854275_100000210211 [0,2,0,0,0,0|1,0,0]=3 12622 B14R0.394 CCCCOCCCCOCCC(=O)C 7a_200000760531_100000053229 [0,2,0,0,0,0|1,0,0]=3 12623 B14R0.394 CCCCOCCCCOCCC(=O)N 34a_200000760531_100000731001 [0,2,0,0,0,0|1,0,0]=3 12624 B14R0.394 CCCCOCCCCOCCC(=O)N 7a_200000760531_100000744528 [0,2,0,0,0,0|1,0,0]=3 12625 B14R0.394 CCCCOCCCCOCCC(C)O 34a_200000760531_100012276601 [0,2,0,0,0,0|1,0,1]=4 12626 B14R0.394 CCCCOCCCCOCCC(C)O 7a_200000760531_100012276601 [0,2,0,0,0,0|1,0,1]=4 12627 B14R0.394 CCCCOCCCCOCOC(=O)C 34a_200000760531_100009813279 [0,2,0,0,0,0|2,0,0]=4 12628 B14R0.394 CCCCOCCCNCCCC(=O)C 34a_200000211371_100000685027 [0,2,0,0,0,0|1,0,0]=3 12629 B14R0.394 CCCCOCCCNCCCC(=O)N 34a_200000211371_100102525003 [0,2,0,0,0,0|1,0,0]=3 12630 B14R0.394 CCCCOCCCNCCCC(C)O 2230a_200000211371_200000718107 [0,2,0,0,0,0|1,0,1]=4 12631 B14R0.394 CCCCOCCCNCCCC(C)O 34a_200000211371_200000718107 [0,2,0,0,0,0|1,0,1]=4 12632 B14R0.394 CCCCOCCCNCCNC(=O)C 2230a_200000211371_100000189650 [0,2,0,0,0,0|2,0,0]=4 12633 B14R0.394 CCCCOCCCNCCNC(=O)N 2230a_200000211371_200000034859 [0,2,0,0,0,0|2,0,0]=4 12634 B14R0.394 CCCCOCCCNCCOC(=O)C 34a_200000211371_100009814007 [0,2,0,0,0,0|2,0,0]=4 12635 B14R0.394 CCCCOCCCNCCOC(=O)N 34a_200000211371_200011214921 [0,2,0,0,0,0|2,0,0]=4 12636 B14R0.394 CCCCOCCCOCCCC(=O)C 34a_200011215613_100000685027 [0,2,0,0,0,0|1,0,0]=3 12637 B14R0.394 CCCCOCCCOCCCC(=O)C 7a_200011215613_100011215641 [0,2,0,0,0,0|1,0,0]=3 12638 B14R0.394 CCCCOCCCOCCCC(=O)N 34a_200011215613_100102525003 [0,2,0,0,0,0|1,0,0]=3 12639 B14R0.394 CCCCOCCCOCCCC(=O)N 7a_200011215613_100102525003 [0,2,0,0,0,0|1,0,0]=3 12640 B14R0.394 CCCCOCCCOCCCC(C)O 34a_200011215613_200000718107 [0,2,0,0,0,0|1,0,1]=4 12641 B14R0.394 CCCCOCCCOCCCC(C)O 7a_200011215613_200000718107 [0,2,0,0,0,0|1,0,1]=4 12642 B14R0.394 CCCCOCCCOCCNC(=O)C 7a_200011215613_100000189650 [0,2,0,0,0,0|2,0,0]=4 12643 B14R0.394 CCCCOCCCOCCNC(=O)N 7a_200011215613_200000034859 [0,2,0,0,0,0|2,0,0]=4 12644 B14R0.394 CCCCOCCCOCCOC(=O)C 34a_200011215613_100009814007 [0,2,0,0,0,0|2,0,0]=4 12645 B14R0.394 CCCCOCCCOCCOC(=O)C 7a_200011215613_100009814007 [0,2,0,0,0,0|2,0,0]=4 12646 B14R0.394 CCCCOCCCOCCOC(=O)N 34a_200011215613_200011214921 [0,2,0,0,0,0|2,0,0]=4 12647 B14R0.394 CCCCOCCCOCCOC(=O)N 7a_200011215613_200011214921 [0,2,0,0,0,0|2,0,0]=4 12648 B14R0.394 CCCCOCCNCCCCC(=O)N 34a_100000696515_100000743108 [0,2,0,0,0,0|1,0,0]=3 12649 B14R0.394 CCCCOCCNCCCNC(=O)C 34a_100000736810_100000743108 [0,2,0,0,0,0|2,0,0]=4 12650 B14R0.394 CCCCOCCNCCOCC(=O)O 269956a_100000700818_100000743108 [0,2,0,0,0,0|1,0,0]=3 12651 B14R0.394 CCCCOCCOCCCCB(O)O 34a_100000210238_200009817182 [0,2,0,0,0,0|1,0,1]=4 12652 B14R0.394 CCCCOCCOCCCCB(O)O 7a_100000210238_200009817182 [0,2,0,0,0,0|1,0,1]=4 12653 B14R0.394 CCCCOCCOCCCCC(=O)C 34a_100000210238_100009817362 [0,2,0,0,0,0|1,0,0]=3 12654 B14R0.394 CCCCOCCOCCCCC(=O)C 7a_100000210238_100000735457 [0,2,0,0,0,0|1,0,0]=3 12655 B14R0.394 CCCCOCCOCCCCC(=O)N 34a_100012022536_100000743108 [0,2,0,0,0,0|1,0,0]=3 12656 B14R0.394 CCCCOCCOCCCCC(=O)N 7a_100012022536_100000743108 [0,2,0,0,0,0|1,0,0]=3 12657 B14R0.394 CCCCOCCOCCCC[N+](=O)[O-] 34a_200015379883_100000743108 [0,2,0,0,0,0|1,0,1]=4 12658 B14R0.394 CCCCOCCOCCCC[N+](=O)[O-] 7a_200015379883_100000743108 [0,2,0,0,0,0|1,0,1]=4 12659 B14R0.394 CCCCOCCOCCCNC(=O)C 34a_100000752032_100000743108 [0,2,0,0,0,0|2,0,0]=4 12660 B14R0.394 CCCCOCCOCCCOC(=O)C 34a_100000210238_100000042594 [0,2,0,0,0,0|2,0,0]=4 12661 B14R0.394 CCCCOCCOCCCOC(=O)C 7a_100000210238_100000042594 [0,2,0,0,0,0|2,0,0]=4 12662 B14R0.394 CCCCOCCOCCCSC(=O)C 34a_100000210238_100000038929 [0,2,0,0,0,0|2,0,0]=4 12663 B14R0.394 CCCCOCCOCCCSC(=O)C 7a_100000210238_100000038929 [0,2,0,0,0,0|2,0,0]=4 12664 B14R0.394 CCCCOCCOCCOCC(=O)N 34a_100000210238_100000076697 [0,2,0,0,0,0|2,0,0]=4 12665 B14R0.394 CCCCOCCOCCOCC(=O)N 34a_100011215186_100000187820 [0,2,0,0,0,0|2,0,0]=4 12666 B14R0.394 CCCCOCCOCCOCC(=O)N 7a_100000210238_100000076697 [0,2,0,0,0,0|2,0,0]=4 12667 B14R0.394 CCCCOCCOCCOCC(=O)N 7a_100011215186_100000187820 [0,2,0,0,0,0|2,0,0]=4 12668 B14R0.394 CCCCOCCOCCOCC(=O)[O-] 34a_100011215186_100020667443 [0,2,0,0,0,0|1,0,1]=4 12669 B14R0.394 CCCCOCCSCCCCB(O)O 62a_100000743108_200009817182 [0,2,0,0,0,0|1,0,1]=4 12670 B14R0.394 CCCCOCCSCCCCB(O)O 62a_200009817182_100000743108 [0,2,0,0,0,0|1,0,1]=4 12671 B14R0.394 CCCCOCCSCCCCC(=O)C 62a_100000735457_100000743108 [0,2,0,0,0,0|1,0,0]=3 12672 B14R0.394 CCCCOCCSCCCCC(=O)C 62a_100000743108_100000735457 [0,2,0,0,0,0|1,0,0]=3 12673 B14R0.394 CCCCOCCSCCCOC(=O)C 62a_100000042594_100000743108 [0,2,0,0,0,0|2,0,0]=4 12674 B14R0.394 CCCCOCCSCCCOC(=O)C 62a_100000743108_100000042594 [0,2,0,0,0,0|2,0,0]=4 12675 B14R0.394 CCCCOCCSCCCSC(=O)C 62a_100000038929_100000743108 [0,2,0,0,0,0|2,0,0]=4 12676 B14R0.394 CCCCOCCSCCCSC(=O)C 62a_100000743108_100000038929 [0,2,0,0,0,0|2,0,0]=4 12677 B14R0.394 CCCCOCCSCCOCC(=O)N 62a_100000076697_100000743108 [0,2,0,0,0,0|2,0,0]=4 12678 B14R0.394 CCCCOCCSCCOCC(=O)N 62a_100000743108_100000076697 [0,2,0,0,0,0|2,0,0]=4 12679 B14R0.394 CCCCOCNCCCCNC(=O)C 2230a_200011368371_100011995733 [0,2,0,0,0,0|2,0,0]=4 12680 B14R0.394 CCCCOCNCCCCNC(=O)C 34a_200011368371_100011995733 [0,2,0,0,0,0|2,0,0]=4 12681 B14R0.394 CCCCOCOCCCCCC(=O)N 34a_100000123541_100011995733 [0,2,0,0,0,0|1,0,0]=3 12682 B14R0.394 CCCCOCOCCCCOC(=O)C 34a_100000073216_100011995733 [0,2,0,0,0,0|2,0,0]=4 12683 B14R0.394 CCCCOCSCCCCCB(O)O 62a_100011995733_200009817188 [0,2,0,0,0,0|1,0,1]=4 12684 B14R0.394 CCCCOCSCCCCCB(O)O 62a_200009817188_100011995733 [0,2,0,0,0,0|1,0,1]=4 12685 B14R0.394 CCCCOCSCCCCCC(=O)N 62a_100009817443_100011995733 [0,2,0,0,0,0|1,0,0]=3 12686 B14R0.394 CCCCOCSCCCCCC(=O)N 62a_100011995733_100009817443 [0,2,0,0,0,0|1,0,0]=3 12687 B14R0.394 CCCCOCSCCCCOC(=O)C 62a_100000033659_100011995733 [0,2,0,0,0,0|2,0,0]=4 12688 B14R0.394 CCCCOCSCCCCOC(=O)C 62a_100011995733_100000033659 [0,2,0,0,0,0|2,0,0]=4 12689 B14R0.394 CCCCOCSCCCCSC(=O)C 62a_100011995733_200010402107 [0,2,0,0,0,0|2,0,0]=4 12690 B14R0.394 CCCCOCSCCCCSC(=O)C 62a_200010402107_100011995733 [0,2,0,0,0,0|2,0,0]=4 12691 B14R0.394 CCCCSCCNCCCCB(O)O 2230a_100025743550_200009817182 [0,2,0,0,0,0|1,0,1]=4 12692 B14R0.394 CCCCSCCNCCCSC(=O)C 2230a_100025743550_100000038929 [0,2,0,0,0,0|2,0,0]=4 12693 B14R0.394 CCCCSCCNCCOCC(=O)N 2230a_100025743550_100000076697 [0,2,0,0,0,0|2,0,0]=4 12694 B14R0.394 CCCCSCCOCCCCB(O)O 34a_200000230436_200009817182 [0,2,0,0,0,0|1,0,1]=4 12695 B14R0.394 CCCCSCCOCCCCB(O)O 7a_200000230436_200009817182 [0,2,0,0,0,0|1,0,1]=4 12696 B14R0.394 CCCCSCCOCCCCC(=O)C 34a_200000230436_100009817362 [0,2,0,0,0,0|1,0,0]=3 12697 B14R0.394 CCCCSCCOCCCCC(=O)C 7a_200000230436_100000735457 [0,2,0,0,0,0|1,0,0]=3 12698 B14R0.394 CCCCSCCOCCCOC(=O)C 34a_200000230436_100000042594 [0,2,0,0,0,0|2,0,0]=4 12699 B14R0.394 CCCCSCCOCCCOC(=O)C 7a_200000230436_100000042594 [0,2,0,0,0,0|2,0,0]=4 12700 B14R0.394 CCCCSCCOCCCSC(=O)C 34a_200000230436_100000038929 [0,2,0,0,0,0|2,0,0]=4 12701 B14R0.394 CCCCSCCOCCCSC(=O)C 7a_200000230436_100000038929 [0,2,0,0,0,0|2,0,0]=4 12702 B14R0.394 CCCCSCCOCCOCC(=O)N 34a_200000230436_100000076697 [0,2,0,0,0,0|2,0,0]=4 12703 B14R0.394 CCCCSCCOCCOCC(=O)N 7a_200000230436_100000076697 [0,2,0,0,0,0|2,0,0]=4 12704 B14R0.394 CCCOCCCNCCCCB(O)O 2230a_100011217757_200009817182 [0,2,0,0,0,0|1,0,1]=4 12705 B14R0.394 CCCOCCCNCCCCB(O)O 34a_100011217757_200009817182 [0,2,0,0,0,0|1,0,1]=4 12706 B14R0.394 CCCOCCCNCCCCC(=O)C 34a_100011217757_100009817362 [0,2,0,0,0,0|1,0,0]=3 12707 B14R0.394 CCCOCCCNCCCOC(=O)C 34a_100011217757_100000042594 [0,2,0,0,0,0|2,0,0]=4 12708 B14R0.394 CCCOCCCNCCCSC(=O)C 2230a_100011217757_100000038929 [0,2,0,0,0,0|2,0,0]=4 12709 B14R0.394 CCCOCCCNCCCSC(=O)C 34a_100011217757_100000038929 [0,2,0,0,0,0|2,0,0]=4 12710 B14R0.394 CCCOCCCNCCOCC(=O)N 2230a_100011217757_100000076697 [0,2,0,0,0,0|2,0,0]=4 12711 B14R0.394 CCCOCCCNCCOCC(=O)N 34a_100011217757_100000076697 [0,2,0,0,0,0|2,0,0]=4 12712 B14R0.394 CCCOCCNCCCCCB(O)O 2230a_100161115042_200009817188 [0,2,0,0,0,0|1,0,1]=4 12713 B14R0.394 CCCOCCNCCCCCB(O)O 34a_100161115042_200009817188 [0,2,0,0,0,0|1,0,1]=4 12714 B14R0.394 CCCOCCNCCCCCC(=O)N 2230a_100161115042_100009817443 [0,2,0,0,0,0|1,0,0]=3 12715 B14R0.394 CCCOCCNCCCCCC(=O)N 34a_100161115042_100009817443 [0,2,0,0,0,0|1,0,0]=3 12716 B14R0.394 CCCOCCNCCCCNC(=O)C 2230a_200011368371_100011215938 [0,2,0,0,0,0|2,0,0]=4 12717 B14R0.394 CCCOCCNCCCCNC(=O)C 34a_200011368371_100011215938 [0,2,0,0,0,0|2,0,0]=4 12718 B14R0.394 CCCOCCNCCCCOC(=O)C 34a_100161115042_100000033659 [0,2,0,0,0,0|2,0,0]=4 12719 B14R0.394 CCCOCCNCCCCSC(=O)C 2230a_100161115042_200010402107 [0,2,0,0,0,0|2,0,0]=4 12720 B14R0.394 CCCOCCNCCCCSC(=O)C 34a_100161115042_200010402107 [0,2,0,0,0,0|2,0,0]=4 12721 B14R0.394 CCCOCCOCCCCCB(O)O 34a_100000752267_200009817188 [0,2,0,0,0,0|1,0,1]=4 12722 B14R0.394 CCCOCCOCCCCCB(O)O 7a_100000752267_200009817188 [0,2,0,0,0,0|1,0,1]=4 12723 B14R0.394 CCCOCCOCCCCCC(=O)N 34a_100000123541_100011215938 [0,2,0,0,0,0|1,0,0]=3 12724 B14R0.394 CCCOCCOCCCCCC(=O)N 34a_100000752267_100009817443 [0,2,0,0,0,0|1,0,0]=3 12725 B14R0.394 CCCOCCOCCCCCC(=O)N 7a_100000123541_100011215938 [0,2,0,0,0,0|1,0,0]=3 12726 B14R0.394 CCCOCCOCCCCCC(=O)N 7a_100000752267_100009817443 [0,2,0,0,0,0|1,0,0]=3 12727 B14R0.394 CCCOCCOCCCCCC(=O)[O-] 7a_100102619762_100011215938 [0,2,0,0,0,0|0,0,1]=3 12728 B14R0.394 CCCOCCOCCCCOC(=O)C 34a_100000073216_100011215938 [0,2,0,0,0,0|2,0,0]=4 12729 B14R0.394 CCCOCCOCCCCOC(=O)C 34a_100000752267_100000033659 [0,2,0,0,0,0|2,0,0]=4 12730 B14R0.394 CCCOCCOCCCCOC(=O)C 7a_100000073216_100011215938 [0,2,0,0,0,0|2,0,0]=4 12731 B14R0.394 CCCOCCOCCCCOC(=O)C 7a_100000752267_100000033659 [0,2,0,0,0,0|2,0,0]=4 12732 B14R0.394 CCCOCCOCCCCSC(=O)C 34a_100000752267_200010402107 [0,2,0,0,0,0|2,0,0]=4 12733 B14R0.394 CCCOCCOCCCCSC(=O)C 7a_100000752267_200010402107 [0,2,0,0,0,0|2,0,0]=4 12734 B14R0.394 CCCOCCOCCNCCC(=O)N 2230a_200011904461_100000744528 [0,2,0,0,0,0|2,0,0]=4 12735 B14R0.394 CCCOCCOCCNCCC(=O)N 34a_200011904461_100000731001 [0,2,0,0,0,0|2,0,0]=4 12736 B14R0.394 CCCOCCSCCCCCB(O)O 62a_100011215938_200009817188 [0,2,0,0,0,0|1,0,1]=4 12737 B14R0.394 CCCOCCSCCCCCB(O)O 62a_200009817188_100011215938 [0,2,0,0,0,0|1,0,1]=4 12738 B14R0.394 CCCOCCSCCCCCC(=O)N 62a_100009817443_100011215938 [0,2,0,0,0,0|1,0,0]=3 12739 B14R0.394 CCCOCCSCCCCCC(=O)N 62a_100011215938_100009817443 [0,2,0,0,0,0|1,0,0]=3 12740 B14R0.394 CCCOCCSCCCCOC(=O)C 62a_100000033659_100011215938 [0,2,0,0,0,0|2,0,0]=4 12741 B14R0.394 CCCOCCSCCCCOC(=O)C 62a_100011215938_100000033659 [0,2,0,0,0,0|2,0,0]=4 12742 B14R0.394 CCCOCCSCCCCSC(=O)C 62a_100011215938_200010402107 [0,2,0,0,0,0|2,0,0]=4 12743 B14R0.394 CCCOCCSCCCCSC(=O)C 62a_200010402107_100011215938 [0,2,0,0,0,0|2,0,0]=4 12744 B14R0.394 CCCSCCNCCCCCB(O)O 2230a_100020603323_200009817188 [0,2,0,0,0,0|1,0,1]=4 12745 B14R0.394 CCCSCCNCCCCCC(=O)N 2230a_100020603323_100009817443 [0,2,0,0,0,0|1,0,0]=3 12746 B14R0.394 CCCSCCNCCCCSC(=O)C 2230a_100020603323_200010402107 [0,2,0,0,0,0|2,0,0]=4 12747 B14R0.394 CCCSCCOCCCCCB(O)O 34a_200000230433_200009817188 [0,2,0,0,0,0|1,0,1]=4 12748 B14R0.394 CCCSCCOCCCCCB(O)O 7a_200000230433_200009817188 [0,2,0,0,0,0|1,0,1]=4 12749 B14R0.394 CCCSCCOCCCCCC(=O)N 34a_200000230433_100009817443 [0,2,0,0,0,0|1,0,0]=3 12750 B14R0.394 CCCSCCOCCCCCC(=O)N 7a_200000230433_100009817443 [0,2,0,0,0,0|1,0,0]=3 12751 B14R0.394 CCCSCCOCCCCOC(=O)C 34a_200000230433_100000033659 [0,2,0,0,0,0|2,0,0]=4 12752 B14R0.394 CCCSCCOCCCCOC(=O)C 7a_200000230433_100000033659 [0,2,0,0,0,0|2,0,0]=4 12753 B14R0.394 CCCSCCOCCCCSC(=O)C 34a_200000230433_200010402107 [0,2,0,0,0,0|2,0,0]=4 12754 B14R0.394 CCCSCCOCCCCSC(=O)C 7a_200000230433_200010402107 [0,2,0,0,0,0|2,0,0]=4 12755 B14R0.394 CCOCCCNCCCCCB(O)O 2230a_100000210961_200009817188 [0,2,0,0,0,0|1,0,1]=4 12756 B14R0.394 CCOCCCNCCCCCB(O)O 34a_100000210961_200009817188 [0,2,0,0,0,0|1,0,1]=4 12757 B14R0.394 CCOCCCNCCCCCC(=O)N 2230a_100000210961_100009817443 [0,2,0,0,0,0|1,0,0]=3 12758 B14R0.394 CCOCCCNCCCCCC(=O)N 34a_100000210961_100009817443 [0,2,0,0,0,0|1,0,0]=3 12759 B14R0.394 CCOCCCNCCCCNC(=O)C 2230a_200011368371_100012232248 [0,2,0,0,0,0|2,0,0]=4 12760 B14R0.394 CCOCCCNCCCCNC(=O)C 34a_200011368371_100012232248 [0,2,0,0,0,0|2,0,0]=4 12761 B14R0.394 CCOCCCNCCCCOC(=O)C 34a_100000210961_100000033659 [0,2,0,0,0,0|2,0,0]=4 12762 B14R0.394 CCOCCCNCCCCSC(=O)C 2230a_100000210961_200010402107 [0,2,0,0,0,0|2,0,0]=4 12763 B14R0.394 CCOCCCNCCCCSC(=O)C 34a_100000210961_200010402107 [0,2,0,0,0,0|2,0,0]=4 12764 B14R0.394 CCOCCCOCCCCCB(O)O 34a_100000757476_200009817188 [0,2,0,0,0,0|1,0,1]=4 12765 B14R0.394 CCOCCCOCCCCCB(O)O 7a_100000757476_200009817188 [0,2,0,0,0,0|1,0,1]=4 12766 B14R0.394 CCOCCCOCCCCCC(=O)N 34a_100000123541_100012232248 [0,2,0,0,0,0|1,0,0]=3 12767 B14R0.394 CCOCCCOCCCCCC(=O)N 34a_100000757476_100009817443 [0,2,0,0,0,0|1,0,0]=3 12768 B14R0.394 CCOCCCOCCCCCC(=O)N 7a_100000123541_100012232248 [0,2,0,0,0,0|1,0,0]=3 12769 B14R0.394 CCOCCCOCCCCCC(=O)N 7a_100000757476_100009817443 [0,2,0,0,0,0|1,0,0]=3 12770 B14R0.394 CCOCCCOCCCCCC(=O)[O-] 7a_100102619762_100012232248 [0,2,0,0,0,0|0,0,1]=3 12771 B14R0.394 CCOCCCOCCCCOC(=O)C 34a_100000073216_100012232248 [0,2,0,0,0,0|2,0,0]=4 12772 B14R0.394 CCOCCCOCCCCOC(=O)C 34a_100000757476_100000033659 [0,2,0,0,0,0|2,0,0]=4 12773 B14R0.394 CCOCCCOCCCCOC(=O)C 7a_100000073216_100012232248 [0,2,0,0,0,0|2,0,0]=4 12774 B14R0.394 CCOCCCOCCCCOC(=O)C 7a_100000757476_100000033659 [0,2,0,0,0,0|2,0,0]=4 12775 B14R0.394 CCOCCCOCCCCSC(=O)C 34a_100000757476_200010402107 [0,2,0,0,0,0|2,0,0]=4 12776 B14R0.394 CCOCCCOCCCCSC(=O)C 7a_100000757476_200010402107 [0,2,0,0,0,0|2,0,0]=4 12777 B14R0.394 CCOCCCSCCCCCB(O)O 62a_100012232248_200009817188 [0,2,0,0,0,0|1,0,1]=4 12778 B14R0.394 CCOCCCSCCCCCB(O)O 62a_200009817188_100012232248 [0,2,0,0,0,0|1,0,1]=4 12779 B14R0.394 CCOCCCSCCCCCC(=O)N 62a_100009817443_100012232248 [0,2,0,0,0,0|1,0,0]=3 12780 B14R0.394 CCOCCCSCCCCCC(=O)N 62a_100012232248_100009817443 [0,2,0,0,0,0|1,0,0]=3 12781 B14R0.394 CCOCCCSCCCCOC(=O)C 62a_100000033659_100012232248 [0,2,0,0,0,0|2,0,0]=4 12782 B14R0.394 CCOCCCSCCCCOC(=O)C 62a_100012232248_100000033659 [0,2,0,0,0,0|2,0,0]=4 12783 B14R0.394 CCOCCCSCCCCSC(=O)C 62a_100012232248_200010402107 [0,2,0,0,0,0|2,0,0]=4 12784 B14R0.394 CCOCCCSCCCCSC(=O)C 62a_200010402107_100012232248 [0,2,0,0,0,0|2,0,0]=4 12785 B14R0.394 CCOCCNCCCCCCB(O)O 2230a_102516460346_100009817187 [0,2,0,0,0,0|1,0,1]=4 12786 B14R0.394 CCOCCNCCCCCCB(O)O 34a_102516460346_100009817187 [0,2,0,0,0,0|1,0,1]=4 12787 B14R0.394 CCOCCNCCCCCNC(=O)C 2230a_200012022750_100011215890 [0,2,0,0,0,0|2,0,0]=4 12788 B14R0.394 CCOCCNCCCCCNC(=O)C 34a_200012022750_100000210147 [0,2,0,0,0,0|2,0,0]=4 12789 B14R0.394 CCOCCNCCCCCOC(=O)C 2230a_102516460346_100009813381 [0,2,0,0,0,0|2,0,0]=4 12790 B14R0.394 CCOCCNCCCCCOC(=O)C 34a_102516460346_100000033007 [0,2,0,0,0,0|2,0,0]=4 12791 B14R0.394 CCOCCOCCCCCCB(O)O 34a_100000210136_100009817187 [0,2,0,0,0,0|1,0,1]=4 12792 B14R0.394 CCOCCOCCCCCCB(O)O 7a_100000210136_100009817187 [0,2,0,0,0,0|1,0,1]=4 12793 B14R0.394 CCOCCOCCCCCOC(=O)C 34a_100000210136_100000033007 [0,2,0,0,0,0|2,0,0]=4 12794 B14R0.394 CCOCCOCCCCCOC(=O)C 7a_100000210136_100000033007 [0,2,0,0,0,0|2,0,0]=4 12795 B14R0.394 CCOCCOCCNCCCC(=O)C 34a_100102712874_100000685027 [0,2,0,0,0,0|2,0,0]=4 12796 B14R0.394 CCOCCOCCNCCCC(=O)N 34a_100000739312_100011211534 [0,2,0,0,0,0|2,0,0]=4 12797 B14R0.394 CCOCCOCCNCCCC(=O)N 34a_100102712874_100102525003 [0,2,0,0,0,0|2,0,0]=4 12798 B14R0.394 CCOCCOCCOCCCC(=O)C 34a_100000210240_100000685027 [0,2,0,0,0,0|2,0,0]=4 12799 B14R0.394 CCOCCOCCOCCCC(=O)C 34a_100000759063_100011211534 [0,2,0,0,0,0|2,0,0]=4 12800 B14R0.394 CCOCCOCCOCCCC(=O)C 7a_100000210240_100011215641 [0,2,0,0,0,0|2,0,0]=4 12801 B14R0.394 CCOCCOCCOCCCC(=O)C 7a_100000759063_100011211534 [0,2,0,0,0,0|2,0,0]=4 12802 B14R0.394 CCOCCOCCOCCCC(=O)N 34a_100000210240_100102525003 [0,2,0,0,0,0|2,0,0]=4 12803 B14R0.394 CCOCCOCCOCCCC(=O)N 7a_100000210240_100102525003 [0,2,0,0,0,0|2,0,0]=4 12804 B14R0.394 CCOCCOCCSCCCC(=O)C 62a_100011211534_100011215641 [0,2,0,0,0,0|2,0,0]=4 12805 B14R0.394 CCOCCOCCSCCCC(=O)C 62a_100011215641_100011211534 [0,2,0,0,0,0|2,0,0]=4 12806 B14R0.394 CCOCCOCCSCCCC(=O)N 62a_100011211534_100102525003 [0,2,0,0,0,0|2,0,0]=4 12807 B14R0.394 CCOCCOCCSCCCC(=O)N 62a_100102525003_100011211534 [0,2,0,0,0,0|2,0,0]=4 12808 B14R0.394 CCOCCSCCCCCCB(O)O 62a_100000210147_100009817187 [0,2,0,0,0,0|1,0,1]=4 12809 B14R0.394 CCOCCSCCCCCCB(O)O 62a_100009817187_100011215890 [0,2,0,0,0,0|1,0,1]=4 12810 B14R0.394 CCOCCSCCCCCOC(=O)C 62a_100000033007_100011215890 [0,2,0,0,0,0|2,0,0]=4 12811 B14R0.394 CCOCCSCCCCCOC(=O)C 62a_100000210147_100000033007 [0,2,0,0,0,0|2,0,0]=4 12812 B14R0.394 CCOCNCCOCCOCC(=O)O 269956a_100009854275_100000739092 [0,2,0,0,0,0|2,0,0]=4 12813 B14R0.394 CCSCCCOCCCCCB(O)O 34a_100011216438_200009817188 [0,2,0,0,0,0|1,0,1]=4 12814 B14R0.394 CCSCCCOCCCCCB(O)O 7a_100011216438_200009817188 [0,2,0,0,0,0|1,0,1]=4 12815 B14R0.394 CCSCCCOCCCCCC(=O)N 34a_100011216438_100009817443 [0,2,0,0,0,0|1,0,0]=3 12816 B14R0.394 CCSCCCOCCCCCC(=O)N 7a_100011216438_100009817443 [0,2,0,0,0,0|1,0,0]=3 12817 B14R0.394 CCSCCCOCCCCOC(=O)C 34a_100011216438_100000033659 [0,2,0,0,0,0|2,0,0]=4 12818 B14R0.394 CCSCCCOCCCCOC(=O)C 7a_100011216438_100000033659 [0,2,0,0,0,0|2,0,0]=4 12819 B14R0.394 CCSCCCOCCCCSC(=O)C 34a_100011216438_200010402107 [0,2,0,0,0,0|2,0,0]=4 12820 B14R0.394 CCSCCCOCCCCSC(=O)C 7a_100011216438_200010402107 [0,2,0,0,0,0|2,0,0]=4 12821 B14R0.394 CCSCCNCCCCCCB(O)O 2230a_100000106463_100009817187 [0,2,0,0,0,0|1,0,1]=4 12822 B14R0.394 CCSCCNCCCCCNC(=O)C 2230a_200012022750_100000757381 [0,2,0,0,0,0|2,0,0]=4 12823 B14R0.394 CCSCCNCCCCCNC(=O)C 34a_200012022750_100000757381 [0,2,0,0,0,0|2,0,0]=4 12824 B14R0.394 CCSCCNCCCCCOC(=O)C 2230a_100000106463_100009813381 [0,2,0,0,0,0|2,0,0]=4 12825 B14R0.394 CCSCCOCCCCCCB(O)O 34a_100000212035_100009817187 [0,2,0,0,0,0|1,0,1]=4 12826 B14R0.394 CCSCCOCCCCCCB(O)O 7a_100000212035_100009817187 [0,2,0,0,0,0|1,0,1]=4 12827 B14R0.394 CCSCCOCCCCCOC(=O)C 34a_100000212035_100000033007 [0,2,0,0,0,0|2,0,0]=4 12828 B14R0.394 CCSCCOCCCCCOC(=O)C 7a_100000212035_100000033007 [0,2,0,0,0,0|2,0,0]=4 12829 B14R0.394 CCSCCSCCCCCCB(O)O 62a_100000757381_100009817187 [0,2,0,0,0,0|1,0,1]=4 12830 B14R0.394 CCSCCSCCCCCCB(O)O 62a_100009817187_100000757381 [0,2,0,0,0,0|1,0,1]=4 12831 B14R0.394 CCSCCSCCCCCOC(=O)C 62a_100000033007_100000757381 [0,2,0,0,0,0|2,0,0]=4 12832 B14R0.394 CCSCCSCCCCCOC(=O)C 62a_100000757381_100000033007 [0,2,0,0,0,0|2,0,0]=4 12833 B14R0.394 CNCCCCCCCCCCC(=O)N 2230a_106832991635_200010167045 [0,2,0,0,0,0|1,0,0]=3 12834 B14R0.394 CNCCCCCCCCCCC(=O)N 34a_100102657272_200010167045 [0,2,0,0,0,0|1,0,0]=3 12835 B14R0.394 CNCCCCCCCCCCC(=O)N 7a_106832991635_200010167045 [0,2,0,0,0,0|1,0,0]=3 12836 B14R0.394 CNCCCCCOCCCCB(O)O 34a_100000722520_200009817182 [0,2,0,0,0,0|1,0,1]=4 12837 B14R0.394 CNCCCCCOCCCCC(=O)C 34a_100000722520_100009817362 [0,2,0,0,0,0|1,0,0]=3 12838 B14R0.394 CNCCCCCOCCCOC(=O)C 34a_100000722520_100000042594 [0,2,0,0,0,0|2,0,0]=4 12839 B14R0.394 CNCCCCCOCCCSC(=O)C 34a_100000722520_100000038929 [0,2,0,0,0,0|2,0,0]=4 12840 B14R0.394 CNCCCCCOCCOCC(=O)N 34a_100000722520_100000076697 [0,2,0,0,0,0|2,0,0]=4 12841 B14R0.394 CNCCCOCCCCCCB(O)O 34a_100000213112_100009817187 [0,2,0,0,0,0|1,0,1]=4 12842 B14R0.394 CNCCCOCCCCCOC(=O)C 34a_100000213112_100000033007 [0,2,0,0,0,0|2,0,0]=4 12843 B14R0.394 CNCCOCCOCCCCC(=O)C 34a_100000228057_100009817362 [0,2,0,0,0,0|2,0,0]=4 12844 B14R0.394 CNCCOCCOCCOCC(=O)O 269956a_100010423269_200000210301 [0,2,0,0,0,0|2,0,0]=4 12845 B14R0.394 COCCCCCCCCCCC(=O)N 34a_100138415774_200010167045 [0,2,0,0,0,0|1,0,0]=3 12846 B14R0.394 COCCCCCCNCCCC(=O)N 34a_100000739312_100011998445 [0,2,0,0,0,0|1,0,0]=3 12847 B14R0.394 COCCCCCCNCCCS(=O)C 2230a_200000753449_100011998445 [0,2,0,0,0,0|2,0,0]=4 12848 B14R0.394 COCCCCCCNCCNC(=O)C 2230a_100000209853_100011998445 [0,2,0,0,0,0|2,0,0]=4 12849 B14R0.394 COCCCCCCNCCNC(=O)N 34a_100020590234_100011998445 [0,2,0,0,0,0|2,0,0]=4 12850 B14R0.394 COCCCCCCOCCCC(=O)C 34a_100000759063_100011998445 [0,2,0,0,0,0|1,0,0]=3 12851 B14R0.394 COCCCCCCOCCCC(=O)C 34a_200012092642_100000685027 [0,2,0,0,0,0|1,0,0]=3 12852 B14R0.394 COCCCCCCOCCCC(=O)C 7a_100000759063_100011998445 [0,2,0,0,0,0|1,0,0]=3 12853 B14R0.394 COCCCCCCOCCCC(=O)C 7a_200012092642_100011215641 [0,2,0,0,0,0|1,0,0]=3 12854 B14R0.394 COCCCCCCOCCCC(=O)N 34a_200012092642_100102525003 [0,2,0,0,0,0|1,0,0]=3 12855 B14R0.394 COCCCCCCOCCCC(=O)N 7a_200012092642_100102525003 [0,2,0,0,0,0|1,0,0]=3 12856 B14R0.394 COCCCCCCOCCCC(C)O 34a_200012092642_200000718107 [0,2,0,0,0,0|1,0,1]=4 12857 B14R0.394 COCCCCCCOCCCC(C)O 7a_200012092642_200000718107 [0,2,0,0,0,0|1,0,1]=4 12858 B14R0.394 COCCCCCCOCCC[N+](=O)[O-] 34a_200000037920_100011998445 [0,2,0,0,0,0|1,0,1]=4 12859 B14R0.394 COCCCCCCOCCNC(=O)C 34a_100000158858_100011998445 [0,2,0,0,0,0|2,0,0]=4 12860 B14R0.394 COCCCCCCOCCNC(=O)C 7a_200012092642_100000189650 [0,2,0,0,0,0|2,0,0]=4 12861 B14R0.394 COCCCCCCOCCNC(=O)N 34a_100000181757_100011998445 [0,2,0,0,0,0|2,0,0]=4 12862 B14R0.394 COCCCCCCOCCNC(=O)N 7a_200012092642_200000034859 [0,2,0,0,0,0|2,0,0]=4 12863 B14R0.394 COCCCCCCOCCOC(=O)C 34a_200012092642_100009814007 [0,2,0,0,0,0|2,0,0]=4 12864 B14R0.394 COCCCCCCOCCOC(=O)C 7a_200012092642_100009814007 [0,2,0,0,0,0|2,0,0]=4 12865 B14R0.394 COCCCCCCOCCOC(=O)N 34a_200012092642_200011214921 [0,2,0,0,0,0|2,0,0]=4 12866 B14R0.394 COCCCCCCOCCOC(=O)N 7a_100000766696_100011998445 [0,2,0,0,0,0|2,0,0]=4 12867 B14R0.394 COCCCCCCOCCOC(=O)N 7a_200012092642_200011214921 [0,2,0,0,0,0|2,0,0]=4 12868 B14R0.394 COCCCCCCSCCCC(=O)C 62a_100011215641_100011998445 [0,2,0,0,0,0|1,0,0]=3 12869 B14R0.394 COCCCCCCSCCCC(=O)C 62a_100011998445_100011215641 [0,2,0,0,0,0|1,0,0]=3 12870 B14R0.394 COCCCCCCSCCCC(=O)N 62a_100011998445_100102525003 [0,2,0,0,0,0|1,0,0]=3 12871 B14R0.394 COCCCCCCSCCCC(=O)N 62a_100102525003_100011998445 [0,2,0,0,0,0|1,0,0]=3 12872 B14R0.394 COCCCCCCSCCCC(C)O 62a_100011998445_200000718107 [0,2,0,0,0,0|1,0,1]=4 12873 B14R0.394 COCCCCCCSCCCC(C)O 62a_200000718107_100011998445 [0,2,0,0,0,0|1,0,1]=4 12874 B14R0.394 COCCCCCCSCCNC(=O)C 62a_100000189650_100011998445 [0,2,0,0,0,0|2,0,0]=4 12875 B14R0.394 COCCCCCCSCCNC(=O)C 62a_100011998445_100000189650 [0,2,0,0,0,0|2,0,0]=4 12876 B14R0.394 COCCCCCCSCCNC(=O)N 62a_100011998445_200000034859 [0,2,0,0,0,0|2,0,0]=4 12877 B14R0.394 COCCCCCCSCCNC(=O)N 62a_200000034859_100011998445 [0,2,0,0,0,0|2,0,0]=4 12878 B14R0.394 COCCCCCCSCCOC(=O)C 62a_100009814007_100011998445 [0,2,0,0,0,0|2,0,0]=4 12879 B14R0.394 COCCCCCCSCCOC(=O)C 62a_100011998445_100009814007 [0,2,0,0,0,0|2,0,0]=4 12880 B14R0.394 COCCCCCCSCCOC(=O)N 62a_100011998445_200011214921 [0,2,0,0,0,0|2,0,0]=4 12881 B14R0.394 COCCCCCCSCCOC(=O)N 62a_200011214921_100011998445 [0,2,0,0,0,0|2,0,0]=4 12882 B14R0.394 COCCCCCNCCCCB(O)O 2230a_100000747528_200009817182 [0,2,0,0,0,0|1,0,1]=4 12883 B14R0.394 COCCCCCNCCCCB(O)O 34a_100000747528_200009817182 [0,2,0,0,0,0|1,0,1]=4 12884 B14R0.394 COCCCCCNCCCCC(=O)C 34a_100000747528_100009817362 [0,2,0,0,0,0|1,0,0]=3 12885 B14R0.394 COCCCCCNCCCOC(=O)C 34a_100000747528_100000042594 [0,2,0,0,0,0|2,0,0]=4 12886 B14R0.394 COCCCCCNCCCSC(=O)C 2230a_100000747528_100000038929 [0,2,0,0,0,0|2,0,0]=4 12887 B14R0.394 COCCCCCNCCCSC(=O)C 34a_100000747528_100000038929 [0,2,0,0,0,0|2,0,0]=4 12888 B14R0.394 COCCCCCNCCOCC(=O)N 2230a_100000747528_100000076697 [0,2,0,0,0,0|2,0,0]=4 12889 B14R0.394 COCCCCCNCCOCC(=O)N 34a_100000747528_100000076697 [0,2,0,0,0,0|2,0,0]=4 12890 B14R0.394 COCCCCNCCCCNC(=O)C 2230a_200011368371_100000730899 [0,2,0,0,0,0|2,0,0]=4 12891 B14R0.394 COCCCCNCCCCNC(=O)C 34a_200011368371_100000755781 [0,2,0,0,0,0|2,0,0]=4 12892 B14R0.394 COCCCCOCCCCCB(O)O 34a_100000740925_200009817188 [0,2,0,0,0,0|1,0,1]=4 12893 B14R0.394 COCCCCOCCCCCC(=O)N 34a_100000123541_100000755781 [0,2,0,0,0,0|1,0,0]=3 12894 B14R0.394 COCCCCOCCCCCC(=O)N 34a_100000740925_100009817443 [0,2,0,0,0,0|1,0,0]=3 12895 B14R0.394 COCCCCOCCCCCC(=O)N 7a_100000123541_100000730899 [0,2,0,0,0,0|1,0,0]=3 12896 B14R0.394 COCCCCOCCCCCC(=O)[O-] 7a_100102619762_100000730899 [0,2,0,0,0,0|0,0,1]=3 12897 B14R0.394 COCCCCOCCCCOC(=O)C 34a_100000073216_100000755781 [0,2,0,0,0,0|2,0,0]=4 12898 B14R0.394 COCCCCOCCCCOC(=O)C 34a_100000740925_100000033659 [0,2,0,0,0,0|2,0,0]=4 12899 B14R0.394 COCCCCOCCCCOC(=O)C 7a_100000073216_100000730899 [0,2,0,0,0,0|2,0,0]=4 12900 B14R0.394 COCCCCOCCCCSC(=O)C 34a_100000740925_200010402107 [0,2,0,0,0,0|2,0,0]=4 12901 B14R0.394 COCCCCSCCCCCB(O)O 62a_100000730899_200009817188 [0,2,0,0,0,0|1,0,1]=4 12902 B14R0.394 COCCCCSCCCCCB(O)O 62a_200009817188_100000730899 [0,2,0,0,0,0|1,0,1]=4 12903 B14R0.394 COCCCCSCCCCCC(=O)N 62a_100000730899_100009817443 [0,2,0,0,0,0|1,0,0]=3 12904 B14R0.394 COCCCCSCCCCCC(=O)N 62a_100009817443_100000730899 [0,2,0,0,0,0|1,0,0]=3 12905 B14R0.394 COCCCCSCCCCOC(=O)C 62a_100000033659_100000730899 [0,2,0,0,0,0|2,0,0]=4 12906 B14R0.394 COCCCCSCCCCOC(=O)C 62a_100000730899_100000033659 [0,2,0,0,0,0|2,0,0]=4 12907 B14R0.394 COCCCCSCCCCSC(=O)C 62a_100000730899_200010402107 [0,2,0,0,0,0|2,0,0]=4 12908 B14R0.394 COCCCCSCCCCSC(=O)C 62a_200010402107_100000730899 [0,2,0,0,0,0|2,0,0]=4 12909 B14R0.394 COCCCNCCCCCCB(O)O 34a_100150723488_100009817187 [0,2,0,0,0,0|1,0,1]=4 12910 B14R0.394 COCCCNCCCCCNC(=O)C 2230a_200012022750_100000740836 [0,2,0,0,0,0|2,0,0]=4 12911 B14R0.394 COCCCNCCCCCNC(=O)C 34a_200012022750_100000740836 [0,2,0,0,0,0|2,0,0]=4 12912 B14R0.394 COCCCNCCCCCOC(=O)C 34a_100150723488_100000033007 [0,2,0,0,0,0|2,0,0]=4 12913 B14R0.394 COCCCOCCCCCCB(O)O 34a_100000740835_100009817187 [0,2,0,0,0,0|1,0,1]=4 12914 B14R0.394 COCCCOCCCCCOC(=O)C 34a_100000740835_100000033007 [0,2,0,0,0,0|2,0,0]=4 12915 B14R0.394 COCCCOCCCOCCC(=O)C 7a_200011215475_100000053229 [0,2,0,0,0,0|2,0,0]=4 12916 B14R0.394 COCCCOCCCOCCC(=O)N 34a_200011215475_100000731001 [0,2,0,0,0,0|2,0,0]=4 12917 B14R0.394 COCCCOCCCOCCC(=O)N 7a_200011215475_100000744528 [0,2,0,0,0,0|2,0,0]=4 12918 B14R0.394 COCCCSCCCCCCB(O)O 62a_100000709357_100009817187 [0,2,0,0,0,0|1,0,1]=4 12919 B14R0.394 COCCCSCCCCCCB(O)O 62a_100009817187_100000709357 [0,2,0,0,0,0|1,0,1]=4 12920 B14R0.394 COCCCSCCCCCOC(=O)C 62a_100000033007_100000709357 [0,2,0,0,0,0|2,0,0]=4 12921 B14R0.394 COCCCSCCCCCOC(=O)C 62a_100000709357_100000033007 [0,2,0,0,0,0|2,0,0]=4 12922 B14R0.394 COCCNCCCCCCNC(=O)C 2230a_200011996284_100011201679 [0,2,0,0,0,0|2,0,0]=4 12923 B14R0.394 COCCNCCCCCCNC(=O)C 34a_200011996284_100011201679 [0,2,0,0,0,0|2,0,0]=4 12924 B14R0.394 COCCNCCOCCOCC(=O)O 269956a_100009854275_100000233755 [0,2,0,0,0,0|2,0,0]=4 12925 B14R0.394 COCCOCCCNCCCC(=O)C 34a_100000206027_100000685027 [0,2,0,0,0,0|2,0,0]=4 12926 B14R0.394 COCCOCCCNCCCC(=O)N 34a_100000206027_100102525003 [0,2,0,0,0,0|2,0,0]=4 12927 B14R0.394 COCCOCCCNCCCC(=O)N 34a_100000739312_100011216529 [0,2,0,0,0,0|2,0,0]=4 12928 B14R0.394 COCCOCCCOCCCC(=O)C 34a_100000759063_100011216529 [0,2,0,0,0,0|2,0,0]=4 12929 B14R0.394 COCCOCCCOCCCC(=O)C 7a_100000759063_100011216529 [0,2,0,0,0,0|2,0,0]=4 12930 B14R0.394 COCCOCCCSCCCC(=O)C 62a_100011215641_100011216529 [0,2,0,0,0,0|2,0,0]=4 12931 B14R0.394 COCCOCCCSCCCC(=O)C 62a_100011216529_100011215641 [0,2,0,0,0,0|2,0,0]=4 12932 B14R0.394 COCCOCCCSCCCC(=O)N 62a_100011216529_100102525003 [0,2,0,0,0,0|2,0,0]=4 12933 B14R0.394 COCCOCCCSCCCC(=O)N 62a_100102525003_100011216529 [0,2,0,0,0,0|2,0,0]=4 12934 B14R0.394 COCCOCCNCCCCC(=O)C 34a_100000745349_100009817362 [0,2,0,0,0,0|2,0,0]=4 12935 B14R0.394 COCCOCCNCCCCC(=O)N 34a_100000696515_100000695917 [0,2,0,0,0,0|2,0,0]=4 12936 B14R0.394 COCCOCCNCCOCC(=O)O 269956a_100000700818_100000695917 [0,2,0,0,0,0|2,0,0]=4 12937 B14R0.394 COCCOCCOCCCCC(=O)C 34a_100011215163_100009817362 [0,2,0,0,0,0|2,0,0]=4 12938 B14R0.394 COCCOCCOCCCCC(=O)C 7a_100011215163_100000735457 [0,2,0,0,0,0|2,0,0]=4 12939 B14R0.394 COCCOCCOCCCCC(=O)N 34a_100012022536_100000695917 [0,2,0,0,0,0|2,0,0]=4 12940 B14R0.394 COCCOCCOCCCCC(=O)N 7a_100012022536_100000695917 [0,2,0,0,0,0|2,0,0]=4 12941 B14R0.394 COCCOCCOCCNCC(=O)O 269956a_100016091260_100013367474 [0,2,0,0,0,0|2,0,0]=4 12942 B14R0.394 COCCOCCSCCCCC(=O)C 62a_100000695917_100000735457 [0,2,0,0,0,0|2,0,0]=4 12943 B14R0.394 COCCOCCSCCCCC(=O)C 62a_100000735457_100000695917 [0,2,0,0,0,0|2,0,0]=4 12944 B14R0.394 COCCOCSCCCCCC(=O)N 62a_100000231047_100009817443 [0,2,0,0,0,0|2,0,0]=4 12945 B14R0.394 COCCOCSCCCCCC(=O)N 62a_100009817443_100000231047 [0,2,0,0,0,0|2,0,0]=4 12946 B14R0.394 CS(=O)CCCNCCCCCCCO 2230a_200000753449_100000760002 [0,2,0,0,0,0|2,0,0]=4 12947 B14R0.394 CSCCCCCCCCCCC(=O)N 62a_200000210301_200010167045 [0,2,0,0,0,0|1,0,0]=3 12948 B14R0.394 CSCCCCCCCCCCC(=O)N 62a_200010167045_200000210301 [0,2,0,0,0,0|1,0,0]=3 12949 B14R0.394 CSCCCCOCCCCCB(O)O 34a_100011217163_200009817188 [0,2,0,0,0,0|1,0,1]=4 12950 B14R0.394 CSCCCCOCCCCCB(O)O 7a_100011217163_200009817188 [0,2,0,0,0,0|1,0,1]=4 12951 B14R0.394 CSCCCCOCCCCCC(=O)N 34a_100011217163_100009817443 [0,2,0,0,0,0|1,0,0]=3 12952 B14R0.394 CSCCCCOCCCCCC(=O)N 7a_100011217163_100009817443 [0,2,0,0,0,0|1,0,0]=3 12953 B14R0.394 CSCCCCOCCCCOC(=O)C 34a_100011217163_100000033659 [0,2,0,0,0,0|2,0,0]=4 12954 B14R0.394 CSCCCCOCCCCOC(=O)C 7a_100011217163_100000033659 [0,2,0,0,0,0|2,0,0]=4 12955 B14R0.394 CSCCCCOCCCCSC(=O)C 34a_100011217163_200010402107 [0,2,0,0,0,0|2,0,0]=4 12956 B14R0.394 CSCCCCOCCCCSC(=O)C 7a_100011217163_200010402107 [0,2,0,0,0,0|2,0,0]=4 12957 B14R0.394 CSCCCNCCCCCCB(O)O 2230a_100000749238_100009817187 [0,2,0,0,0,0|1,0,1]=4 12958 B14R0.394 CSCCCNCCCCCOC(=O)C 2230a_100000749238_100009813381 [0,2,0,0,0,0|2,0,0]=4 12959 B14R0.394 CSCCCOCCCCCCB(O)O 34a_100000690336_100009817187 [0,2,0,0,0,0|1,0,1]=4 12960 B14R0.394 CSCCCOCCCCCCB(O)O 7a_100000690336_100009817187 [0,2,0,0,0,0|1,0,1]=4 12961 B14R0.394 CSCCCOCCCCCOC(=O)C 34a_100000690336_100000033007 [0,2,0,0,0,0|2,0,0]=4 12962 B14R0.394 CSCCCOCCCCCOC(=O)C 7a_100000690336_100000033007 [0,2,0,0,0,0|2,0,0]=4 12963 B14R0.394 CSCCNCCCCCCNC(=O)C 2230a_200011996284_100000751147 [0,2,0,0,0,0|2,0,0]=4 12964 B14R0.394 CSCCNCCCCCCNC(=O)C 34a_200011996284_100000212216 [0,2,0,0,0,0|2,0,0]=4 12965 B14R0.394 CSCCNCCOCCOCC(=O)O 269956a_100009854275_100000212216 [0,2,0,0,0,0|2,0,0]=4 12966 B14R0.394 C[C@@H](O)CNCCCCCCCCCO 2230a_100000078944_100009817552 [0,2,0,0,0,0|1,0,1]=4 12967 B14R0.394 C[C@@H](O)CNCCCCCCCCCO 34a_100000078944_100009817552 [0,2,0,0,0,0|1,0,1]=4 12968 B14R0.394 C[C@@H](O)COCCCCCCCCCBr 34a_100009813782_100009817552 [0,2,0,0,0,0|1,0,1]=4 12969 B14R0.394 C[C@@H](O)COCCCCCCCCCBr 7a_100009813782_100009817552 [0,2,0,0,0,0|1,0,1]=4 12970 B14R0.394 C[C@@H](O)COCCCCCCCCCCl 34a_100009868337_100009817552 [0,2,0,0,0,0|1,0,1]=4 12971 B14R0.394 C[C@@H](O)COCCCCCCCCCCl 7a_100009868337_100009817552 [0,2,0,0,0,0|1,0,1]=4 12972 B14R0.394 C[C@@H](O)COCCCCCCCCCN 34a_100000078944_100009817552 [0,2,0,0,0,0|1,0,1]=4 12973 B14R0.394 C[C@@H](O)CSCCCCCCCCCO 62a_100009813782_100009817552 [0,2,0,0,0,0|1,0,1]=4 12974 B14R0.394 C[C@@H](O)CSCCCCCCCCCO 62a_100009817552_100009813782 [0,2,0,0,0,0|1,0,1]=4 12975 B14R0.394 N#CCCCCCCSCCCC(=O)N 62a_100009813337_100102525003 [0,2,0,0,0,0|1,0,1]=4 12976 B14R0.394 N#CCCCCCCSCCCC(=O)N 62a_100102525003_100009813337 [0,2,0,0,0,0|1,0,1]=4 12977 B14R0.394 N#CCCCCCNCCOCC(=O)O 269956a_100000700818_100009813376 [0,2,0,0,0,0|1,0,1]=4 12978 B14R0.394 N#CCCCCCOCCCCC(=O)N 7a_100012022536_100009813376 [0,2,0,0,0,0|1,0,1]=4 12979 B14R0.394 N#CCCCCOCCCCCC(=O)N 7a_100000123541_100000211819 [0,2,0,0,0,0|1,0,1]=4 12980 B14R0.394 N#CCCCCOCCCCCC(=O)[O-] 7a_100102619762_100000211819 [0,2,0,0,0,0|0,0,2]=4 12981 B14R0.394 N#CCCCCSCCCCCC(=O)N 62a_100009817443_100000211819 [0,2,0,0,0,0|1,0,1]=4 12982 B14R0.394 N#CCCCCSCCCCCC(=O)N 62a_100011219923_100009817443 [0,2,0,0,0,0|1,0,1]=4 12983 B14R0.394 NC(=O)CCCCCNCCCCCO 2230a_100000762737_100009817443 [0,2,0,0,0,0|1,0,0]=3 12984 B14R0.394 NC(=O)CCCCCNCCCCCO 34a_100000762737_100009817443 [0,2,0,0,0,0|1,0,0]=3 12985 B14R0.394 NC(=O)CCCCCNCCOCCO 2230a_100000211614_100009817443 [0,2,0,0,0,0|2,0,0]=4 12986 B14R0.394 NC(=O)CCCCCNCCOCCO 34a_100000211614_100009817443 [0,2,0,0,0,0|2,0,0]=4 12987 B14R0.394 NC(=O)CCCCCNCCSCCO 2230a_100011219999_100009817443 [0,2,0,0,0,0|2,0,0]=4 12988 B14R0.394 NC(=O)CCCCCOCCCCC=O 7a_100000123541_100000139335 [0,2,0,0,0,0|1,0,1]=4 12989 B14R0.394 NC(=O)CCCCCOCCCCCBr 34a_100000746331_100009817443 [0,2,0,0,0,0|1,0,0]=3 12990 B14R0.394 NC(=O)CCCCCOCCCCCBr 7a_100000746331_100009817443 [0,2,0,0,0,0|1,0,0]=3 12991 B14R0.394 NC(=O)CCCCCOCCCCCCl 34a_100000746330_100009817443 [0,2,0,0,0,0|1,0,0]=3 12992 B14R0.394 NC(=O)CCCCCOCCCCCCl 7a_100000746330_100009817443 [0,2,0,0,0,0|1,0,0]=3 12993 B14R0.394 NC(=O)CCCCCOCCCCCF 34a_100000123541_100000729378 [0,2,0,0,0,0|1,0,0]=3 12994 B14R0.394 NC(=O)CCCCCOCCCCCF 7a_100000123541_100000729378 [0,2,0,0,0,0|1,0,0]=3 12995 B14R0.394 NC(=O)CCCCCOCCCCCI 34a_200012148887_100009817443 [0,2,0,0,0,0|1,0,0]=3 12996 B14R0.394 NC(=O)CCCCCOCCCCCI 7a_200012148887_100009817443 [0,2,0,0,0,0|1,0,0]=3 12997 B14R0.394 NC(=O)CCCCCOCCCCCO 34a_100000123541_100000746330 [0,2,0,0,0,0|1,0,0]=3 12998 B14R0.394 NC(=O)CCCCCOCCCCCO 7a_100000123541_100000746330 [0,2,0,0,0,0|1,0,0]=3 12999 B14R0.394 NC(=O)CCCCCOCCOCCBr 34a_100000692535_100009817443 [0,2,0,0,0,0|2,0,0]=4 13000 B14R0.394 NC(=O)CCCCCOCCOCCBr 7a_100000692535_100009817443 [0,2,0,0,0,0|2,0,0]=4 13001 B14R0.394 NC(=O)CCCCCOCCOCCCl 34a_100011215305_100009817443 [0,2,0,0,0,0|2,0,0]=4 13002 B14R0.394 NC(=O)CCCCCOCCOCCCl 7a_100011215305_100009817443 [0,2,0,0,0,0|2,0,0]=4 13003 B14R0.394 NC(=O)CCCCCOCCOCCF 34a_200015357709_100009817443 [0,2,0,0,0,0|2,0,0]=4 13004 B14R0.394 NC(=O)CCCCCOCCOCCF 7a_200015357709_100009817443 [0,2,0,0,0,0|2,0,0]=4 13005 B14R0.394 NC(=O)CCCCCOCCOCCI 34a_100012149058_100009817443 [0,2,0,0,0,0|2,0,0]=4 13006 B14R0.394 NC(=O)CCCCCOCCOCCI 7a_100012149058_100009817443 [0,2,0,0,0,0|2,0,0]=4 13007 B14R0.394 NC(=O)CCCCCOCCOCCO 34a_100000123541_100000692535 [0,2,0,0,0,0|2,0,0]=4 13008 B14R0.394 NC(=O)CCCCCOCCOCCO 7a_100000123541_100011215305 [0,2,0,0,0,0|2,0,0]=4 13009 B14R0.394 NC(=O)CCCCCSCCCCC=O 62a_100000139335_100009817443 [0,2,0,0,0,0|1,0,1]=4 13010 B14R0.394 NC(=O)CCCCCSCCCCC=O 62a_100009817443_100000139335 [0,2,0,0,0,0|1,0,1]=4 13011 B14R0.394 NC(=O)CCCCCSCCCCCF 62a_100000729378_100009817443 [0,2,0,0,0,0|1,0,0]=3 13012 B14R0.394 NC(=O)CCCCCSCCCCCF 62a_100009817443_100000729378 [0,2,0,0,0,0|1,0,0]=3 13013 B14R0.394 NC(=O)CCCCCSCCCCCO 62a_100000746330_100009817443 [0,2,0,0,0,0|1,0,0]=3 13014 B14R0.394 NC(=O)CCCCCSCCCCCO 62a_100009817443_100000746330 [0,2,0,0,0,0|1,0,0]=3 13015 B14R0.394 NC(=O)CCCCCSCCOCCO 62a_100009817443_100011215305 [0,2,0,0,0,0|2,0,0]=4 13016 B14R0.394 NC(=O)CCCCCSCCOCCO 62a_100011215305_100009817443 [0,2,0,0,0,0|2,0,0]=4 13017 B14R0.394 NC(=O)CCCCNCCCCCCF 34a_100000696515_100015922095 [0,2,0,0,0,0|1,0,0]=3 13018 B14R0.394 NC(=O)CCCCNCCCCCCO 34a_100000696515_100000766143 [0,2,0,0,0,0|1,0,0]=3 13019 B14R0.394 NC(=O)CCCCOCCCCCC=O 7a_100012022536_100000139337 [0,2,0,0,0,0|1,0,1]=4 13020 B14R0.394 NC(=O)CCCCOCCCCCCF 34a_100012022536_100015922095 [0,2,0,0,0,0|1,0,0]=3 13021 B14R0.394 NC(=O)CCCCOCCCCCCF 7a_100012022536_100015922095 [0,2,0,0,0,0|1,0,0]=3 13022 B14R0.394 NC(=O)CCCCOCCCCCCO 34a_100012022536_100000766143 [0,2,0,0,0,0|1,0,0]=3 13023 B14R0.394 NC(=O)CCCCOCCCCCCO 7a_100012022536_100000766143 [0,2,0,0,0,0|1,0,0]=3 13024 B14R0.394 NC(=O)CCCNCCCCCCCO 34a_100000739312_100000760002 [0,2,0,0,0,0|1,0,0]=3 13025 B14R0.394 NC(=O)CCCNCCCCCCCO 34a_100011996573_100102525003 [0,2,0,0,0,0|1,0,0]=3 13026 B14R0.394 NC(=O)CCCNCCCOCCCO 34a_100011310245_100102525003 [0,2,0,0,0,0|2,0,0]=4 13027 B14R0.394 NC(=O)CCCOCCCCCCCBr 34a_100000760002_100102525003 [0,2,0,0,0,0|1,0,0]=3 13028 B14R0.394 NC(=O)CCCOCCCCCCCBr 7a_100000760002_100102525003 [0,2,0,0,0,0|1,0,0]=3 13029 B14R0.394 NC(=O)CCCSCCCCCCCO 62a_100000760002_100102525003 [0,2,0,0,0,0|1,0,0]=3 13030 B14R0.394 NC(=O)CCCSCCCCCCCO 62a_100102525003_100000760002 [0,2,0,0,0,0|1,0,0]=3 13031 B14R0.394 NC(=O)CCNCCCCCCCCO 2230a_102515433106_100000744528 [0,2,0,0,0,0|1,0,0]=3 13032 B14R0.394 NC(=O)CCNCCCCCCCCO 34a_102515433106_100000731001 [0,2,0,0,0,0|1,0,0]=3 13033 B14R0.394 NC(=O)CCOCCCCCCCCBr 34a_100009813846_100000731001 [0,2,0,0,0,0|1,0,0]=3 13034 B14R0.394 NC(=O)CCOCCCCCCCCBr 7a_100009813846_100000744528 [0,2,0,0,0,0|1,0,0]=3 13035 B14R0.394 NC(=O)CCOCCCCCCCCCl 34a_100000033203_100000731001 [0,2,0,0,0,0|1,0,0]=3 13036 B14R0.394 NC(=O)CCOCCCCCCCCCl 7a_100000033203_100000744528 [0,2,0,0,0,0|1,0,0]=3 13037 B14R0.394 NC(=O)CCOCCCCCCCCO 34a_100000757172_100000033203 [0,2,0,0,0,0|1,0,0]=3 13038 B14R0.394 NC(=O)CCOCCCCCCCCO 7a_100000757172_100000033203 [0,2,0,0,0,0|1,0,0]=3 13039 B14R0.394 NC(=O)CCSCCCCCCCCO 62a_100000033203_100000744528 [0,2,0,0,0,0|1,0,0]=3 13040 B14R0.394 NC(=O)CCSCCCCCCCCO 62a_100000744528_100000033203 [0,2,0,0,0,0|1,0,0]=3 13041 B14R0.394 NC(=O)CNCCCCCCCCCO 2230a_100000078944_100000747473 [0,2,0,0,0,0|1,0,0]=3 13042 B14R0.394 NC(=O)CNCCCCCCCCCO 2230a_100000711301_100009813782 [0,2,0,0,0,0|1,0,0]=3 13043 B14R0.394 NC(=O)CNCCCCCCCCCO 34a_100000078944_100000187820 [0,2,0,0,0,0|1,0,0]=3 13044 B14R0.394 NC(=O)COCCCCCCCCCBr 34a_100009813782_100000187820 [0,2,0,0,0,0|1,0,0]=3 13045 B14R0.394 NC(=O)COCCCCCCCCCBr 7a_100009813782_100000187820 [0,2,0,0,0,0|1,0,0]=3 13046 B14R0.394 NC(=O)COCCCCCCCCCCl 34a_100009868337_100000187820 [0,2,0,0,0,0|1,0,0]=3 13047 B14R0.394 NC(=O)COCCCCCCCCCCl 7a_100009868337_100000187820 [0,2,0,0,0,0|1,0,0]=3 13048 B14R0.394 NC(=O)COCCNCCCCCCO 2230a_100000686447_100000076697 [0,2,0,0,0,0|2,0,0]=4 13049 B14R0.394 NC(=O)COCCNCCCCCCO 34a_100000686447_100000076697 [0,2,0,0,0,0|2,0,0]=4 13050 B14R0.394 NC(=O)COCCOCCCCCCBr 34a_100011215345_100000076697 [0,2,0,0,0,0|2,0,0]=4 13051 B14R0.394 NC(=O)COCCOCCCCCCBr 7a_100011215345_100000076697 [0,2,0,0,0,0|2,0,0]=4 13052 B14R0.394 NC(=O)COCCOCCCCCCCl 34a_100000766143_100000076697 [0,2,0,0,0,0|2,0,0]=4 13053 B14R0.394 NC(=O)COCCOCCCCCCCl 7a_100000766143_100000076697 [0,2,0,0,0,0|2,0,0]=4 13054 B14R0.394 NC(=O)COCCOCCCCCCF 34a_100000732779_100000076697 [0,2,0,0,0,0|2,0,0]=4 13055 B14R0.394 NC(=O)COCCOCCCCCCF 7a_100000732779_100000076697 [0,2,0,0,0,0|2,0,0]=4 13056 B14R0.394 NC(=O)COCCSCCCCCCF 62a_100000076697_100015922095 [0,2,0,0,0,0|2,0,0]=4 13057 B14R0.394 NC(=O)COCCSCCCCCCF 62a_100015922095_100000076697 [0,2,0,0,0,0|2,0,0]=4 13058 B14R0.394 NC(=O)COCCSCCCCCCO 62a_100000076697_100000766143 [0,2,0,0,0,0|2,0,0]=4 13059 B14R0.394 NC(=O)COCCSCCCCCCO 62a_100000766143_100000076697 [0,2,0,0,0,0|2,0,0]=4 13060 B14R0.394 NC(=O)CSCCCCCCCCCO 62a_100000747473_100009813782 [0,2,0,0,0,0|1,0,0]=3 13061 B14R0.394 NC(=O)CSCCCCCCCCCO 62a_100009813782_100000747473 [0,2,0,0,0,0|1,0,0]=3 13062 B14R0.394 NC(=O)NCCNCCCCCCCO 2230a_100011996573_200000034859 [0,2,0,0,0,0|2,0,0]=4 13063 B14R0.394 NC(=O)NCCNCCCCCCCO 34a_100020590234_100000760002 [0,2,0,0,0,0|2,0,0]=4 13064 B14R0.394 NC(=O)NCCOCCCCCCCBr 7a_100000760002_200000034859 [0,2,0,0,0,0|2,0,0]=4 13065 B14R0.394 NC(=O)NCCOCCCCCCCO 34a_100000181757_100000760002 [0,2,0,0,0,0|2,0,0]=4 13066 B14R0.394 NC(=O)NCCSCCCCCCCO 62a_100000760002_200000034859 [0,2,0,0,0,0|2,0,0]=4 13067 B14R0.394 NC(=O)NCCSCCCCCCCO 62a_200000034859_100000760002 [0,2,0,0,0,0|2,0,0]=4 13068 B14R0.394 NC(=O)OCCNCCCCCCCO 34a_100011996573_200011214921 [0,2,0,0,0,0|2,0,0]=4 13069 B14R0.394 NC(=O)OCCOCCCCCCCBr 34a_100000760002_200011214921 [0,2,0,0,0,0|2,0,0]=4 13070 B14R0.394 NC(=O)OCCOCCCCCCCBr 7a_100000760002_200011214921 [0,2,0,0,0,0|2,0,0]=4 13071 B14R0.394 NC(=O)OCCOCCCCCCCO 7a_100000766696_100000760002 [0,2,0,0,0,0|2,0,0]=4 13072 B14R0.394 NC(=O)OCCSCCCCCCCO 62a_100000760002_200011214921 [0,2,0,0,0,0|2,0,0]=4 13073 B14R0.394 NC(=O)OCCSCCCCCCCO 62a_200011214921_100000760002 [0,2,0,0,0,0|2,0,0]=4 13074 B14R0.394 NCCCCCCCCCOCC(=O)N 34a_100000078944_100000187820 [0,2,0,0,0,0|1,0,0]=3 13075 B14R0.394 NCCCCCCCCCOCC(=O)[O-] 34a_100000078944_100020667443 [0,2,0,0,0,0|0,0,1]=3 13076 B14R0.394 NCCCCCCCCCOC[N+](=O)[O-] 34a_100000078944_100000761209 [0,2,0,0,0,0|1,0,1]=4 13077 B14R0.394 NCCCCCCCCOCCC(=O)N 34a_102515433106_100000731001 [0,2,0,0,0,0|1,0,0]=3 13078 B14R0.394 NCCCCCCCOCCCC(=O)N 34a_100011996573_100102525003 [0,2,0,0,0,0|1,0,0]=3 13079 B14R0.394 NCCCCCCCOCCOC(=O)N 34a_100011996573_200011214921 [0,2,0,0,0,0|2,0,0]=4 13080 B14R0.394 NCCCCCCOCCCCB(O)O 34a_100000686447_200009817182 [0,2,0,0,0,0|1,0,1]=4 13081 B14R0.394 NCCCCCCOCCOCC(=O)N 34a_100000686447_100000076697 [0,2,0,0,0,0|2,0,0]=4 13082 B14R0.394 NCCCCCOCCCCCB(O)O 34a_100000762737_200009817188 [0,2,0,0,0,0|1,0,1]=4 13083 B14R0.394 NCCCCCOCCCCCC(=O)N 34a_100000762737_100009817443 [0,2,0,0,0,0|1,0,0]=3 13084 B14R0.394 NCCCCOCCCCCCB(O)O 34a_100000750430_100009817187 [0,2,0,0,0,0|1,0,1]=4 13085 B14R0.394 NCCCOCCCOCCCC(=O)N 34a_100011310245_100102525003 [0,2,0,0,0,0|2,0,0]=4 13086 B14R0.394 NCCNCCCCCOCCC(=O)N 34a_103619048469_100000731001 [0,2,0,0,0,0|2,0,0]=4 13087 B14R0.394 NCCOCCOCCCCCC(=O)N 34a_100000211614_100009817443 [0,2,0,0,0,0|2,0,0]=4 13088 B14R0.394 O=C(O)CNCCCCCCCCCO 269956a_100016091260_100009813782 [0,2,0,0,0,0|0,0,0]=2 13089 B14R0.394 O=C(O)COCCNCCCCCCF 269956a_100000700818_100015922095 [0,2,0,0,0,0|1,0,0]=3 13090 B14R0.394 O=C(O)COCCNCCCCCCO 269956a_100000700818_100000766143 [0,2,0,0,0,0|1,0,0]=3 13091 B14R0.394 O=C(O)COCCOCCNCCCF 269956a_100009854275_100011934791 [0,2,0,0,0,0|2,0,0]=4 13092 B14R0.394 O=C(O)COCCOCCNCCCO 269956a_100009854275_100011215043 [0,2,0,0,0,0|2,0,0]=4 13093 B14R0.394 O=C(O)CONCCCCCCCCO 269956a_100000106656_100000033203 [0,2,0,0,0,0|1,0,0]=3 13094 B14R0.394 O=C([O-])CCCCCOCCCCCF 7a_100102619762_100000729378 [0,2,0,0,0,0|0,0,1]=3 13095 B14R0.394 O=C([O-])CCCCCOCCCCCO 7a_100102619762_100000746330 [0,2,0,0,0,0|0,0,1]=3 13096 B14R0.394 O=C([O-])CCCCCOCCOCCO 7a_100102619762_100011215305 [0,2,0,0,0,0|1,0,1]=4 13097 B14R0.394 O=C([O-])CNCCCCCCCCCO 34a_100000078944_100020667443 [0,2,0,0,0,0|0,0,1]=3 13098 B14R0.394 O=C([O-])COCCCCCCCCCBr 34a_100009813782_100020667443 [0,2,0,0,0,0|0,0,1]=3 13099 B14R0.394 O=C([O-])COCCCCCCCCCCl 34a_100009868337_100020667443 [0,2,0,0,0,0|0,0,1]=3 13100 B14R0.394 O=C([O-])CSCCCCCCCCCO 62a_100009813782_100020667443 [0,2,0,0,0,0|0,0,1]=3 13101 B14R0.394 O=C([O-])CSCCCCCCCCCO 62a_100020667443_100009813782 [0,2,0,0,0,0|0,0,1]=3 13102 B14R0.394 O=CCCCCCNCCOCC(=O)O 269956a_100000700818_100000139337 [0,2,0,0,0,0|1,0,1]=4 13103 B14R0.394 O=CCCCCOCCCCCC(=O)[O-] 7a_100102619762_100000139335 [0,2,0,0,0,0|0,0,2]=4 13104 B14R0.394 O=[N+]([O-])CCCCOCCCCCCF 34a_200015379883_100015922095 [0,2,0,0,0,0|1,0,1]=4 13105 B14R0.394 O=[N+]([O-])CCCCOCCCCCCF 7a_200015379883_100015922095 [0,2,0,0,0,0|1,0,1]=4 13106 B14R0.394 O=[N+]([O-])CCCCOCCCCCCO 34a_200015379883_100000766143 [0,2,0,0,0,0|1,0,1]=4 13107 B14R0.394 O=[N+]([O-])CCCCOCCCCCCO 7a_200015379883_100000766143 [0,2,0,0,0,0|1,0,1]=4 13108 B14R0.394 O=[N+]([O-])CCCOCCCCCCCO 34a_200000037920_100000760002 [0,2,0,0,0,0|1,0,1]=4 13109 B14R0.394 O=[N+]([O-])CNCCCCCCCCCO 34a_100000078944_100000761209 [0,2,0,0,0,0|1,0,1]=4 13110 B14R0.394 O=[N+]([O-])COCCCCCCCCCBr 34a_100009813782_100000761209 [0,2,0,0,0,0|1,0,1]=4 13111 B14R0.394 O=[N+]([O-])COCCCCCCCCCCl 34a_100009868337_100000761209 [0,2,0,0,0,0|1,0,1]=4 13112 B14R0.394 O=[N+]([O-])CSCCCCCCCCCO 62a_100009813782_100000761209 [0,2,0,0,0,0|1,0,1]=4 13113 B14R0.394 OB(O)CCCCCCOCCCCBr 34a_100011216708_100009817187 [0,2,0,0,0,0|1,0,1]=4 13114 B14R0.394 OB(O)CCCCCCOCCCCCl 34a_100000210776_100009817187 [0,2,0,0,0,0|1,0,1]=4 13115 B14R0.394 OB(O)CCCCCCOCCCCCl 7a_100000210776_100009817187 [0,2,0,0,0,0|1,0,1]=4 13116 B14R0.394 OB(O)CCCCCCOCCCCF 34a_100011995726_100009817187 [0,2,0,0,0,0|1,0,1]=4 13117 B14R0.394 OB(O)CCCCCCOCCCCF 7a_100011995726_100009817187 [0,2,0,0,0,0|1,0,1]=4 13118 B14R0.394 OB(O)CCCCCCOCCCCI 34a_200012148704_100009817187 [0,2,0,0,0,0|1,0,1]=4 13119 B14R0.394 OB(O)CCCCCCSCCCCF 62a_100000729493_100009817187 [0,2,0,0,0,0|1,0,1]=4 13120 B14R0.394 OB(O)CCCCCCSCCCCF 62a_100009817187_100000729493 [0,2,0,0,0,0|1,0,1]=4 13121 B14R0.394 OB(O)CCCCCOCCCCCBr 34a_100000746331_200009817188 [0,2,0,0,0,0|1,0,1]=4 13122 B14R0.394 OB(O)CCCCCOCCCCCBr 7a_100000746331_200009817188 [0,2,0,0,0,0|1,0,1]=4 13123 B14R0.394 OB(O)CCCCCOCCCCCCl 34a_100000746330_200009817188 [0,2,0,0,0,0|1,0,1]=4 13124 B14R0.394 OB(O)CCCCCOCCCCCCl 7a_100000746330_200009817188 [0,2,0,0,0,0|1,0,1]=4 13125 B14R0.394 OB(O)CCCCCOCCCCCI 34a_200012148887_200009817188 [0,2,0,0,0,0|1,0,1]=4 13126 B14R0.394 OB(O)CCCCCOCCCCCI 7a_200012148887_200009817188 [0,2,0,0,0,0|1,0,1]=4 13127 B14R0.394 OB(O)CCCCCSCCCCCF 62a_100000729378_200009817188 [0,2,0,0,0,0|1,0,1]=4 13128 B14R0.394 OB(O)CCCCCSCCCCCF 62a_200009817188_100000729378 [0,2,0,0,0,0|1,0,1]=4 13129 B14R0.394 OB(O)CCCCOCCCCCCBr 34a_100011215345_200009817182 [0,2,0,0,0,0|1,0,1]=4 13130 B14R0.394 OB(O)CCCCOCCCCCCBr 7a_100011215345_200009817182 [0,2,0,0,0,0|1,0,1]=4 13131 B14R0.394 OB(O)CCCCOCCCCCCCl 34a_100000766143_200009817182 [0,2,0,0,0,0|1,0,1]=4 13132 B14R0.394 OB(O)CCCCOCCCCCCCl 7a_100000766143_200009817182 [0,2,0,0,0,0|1,0,1]=4 13133 B14R0.394 OB(O)CCCCOCCCCCCF 34a_100000732779_200009817182 [0,2,0,0,0,0|1,0,1]=4 13134 B14R0.394 OB(O)CCCCOCCCCCCF 7a_100000732779_200009817182 [0,2,0,0,0,0|1,0,1]=4 13135 B14R0.394 OB(O)CCCCSCCCCCCF 62a_100015922095_200009817182 [0,2,0,0,0,0|1,0,1]=4 13136 B14R0.394 OB(O)CCCCSCCCCCCF 62a_200009817182_100015922095 [0,2,0,0,0,0|1,0,1]=4 13137 B14R0.394 OCCCCCCNCCCCB(O)O 2230a_100000686447_200009817182 [0,2,0,0,0,0|1,0,1]=4 13138 B14R0.394 OCCCCCCNCCCCB(O)O 34a_100000686447_200009817182 [0,2,0,0,0,0|1,0,1]=4 13139 B14R0.394 OCCCCCCSCCCCB(O)O 62a_100000766143_200009817182 [0,2,0,0,0,0|1,0,1]=4 13140 B14R0.394 OCCCCCCSCCCCB(O)O 62a_200009817182_100000766143 [0,2,0,0,0,0|1,0,1]=4 13141 B14R0.394 OCCCCCNCCCCCB(O)O 2230a_100000762737_200009817188 [0,2,0,0,0,0|1,0,1]=4 13142 B14R0.394 OCCCCCNCCCCCB(O)O 34a_100000762737_200009817188 [0,2,0,0,0,0|1,0,1]=4 13143 B14R0.394 OCCCCCSCCCCCB(O)O 62a_100000746330_200009817188 [0,2,0,0,0,0|1,0,1]=4 13144 B14R0.394 OCCCCCSCCCCCB(O)O 62a_200009817188_100000746330 [0,2,0,0,0,0|1,0,1]=4 13145 B14R0.394 OCCCCNCCCCCCB(O)O 2230a_100000750430_100009817187 [0,2,0,0,0,0|1,0,1]=4 13146 B14R0.394 OCCCCNCCCCCCB(O)O 34a_100000750430_100009817187 [0,2,0,0,0,0|1,0,1]=4 13147 B14R0.394 OCCCCSCCCCCCB(O)O 62a_100000210776_100009817187 [0,2,0,0,0,0|1,0,1]=4 13148 B14R0.394 OCCCCSCCCCCCB(O)O 62a_100009817187_100000210776 [0,2,0,0,0,0|1,0,1]=4 13149 B14R0.394 [13CH3]NCCOCCOCCOCC(=O)O 269956a_100010423269_200025704644 [0,2,0,0,0,0|2,0,0]=4 13150 B14R0.394 [13CH3]SCCCCCCCCCCC(=O)N 62a_200010167045_200025704644 [0,2,0,0,0,0|1,0,0]=3 13151 B14R0.394 [13CH3]SCCCCCCCCCCC(=O)N 62a_200025704644_200010167045 [0,2,0,0,0,0|1,0,0]=3 13152 B14R0.432 CC(CCN)COCCCCCC(=O)N 34a_106354213184_100009817443 [0,2,0,0,0,0|2,0,0]=4 13153 B14R0.432 CCCC(=O)COCCCCCC(=O)N 7a_100000123541_100000747444 [0,2,0,0,0,0|1,0,1]=4 13154 B14R0.432 CCCC(=O)COCCCCCC(=O)[O-] 7a_100102619762_100000747444 [0,2,0,0,0,0|0,0,2]=4 13155 B14R0.432 CCCC(=O)CSCCCCCC(=O)N 62a_100000747444_100009817443 [0,2,0,0,0,0|1,0,1]=4 13156 B14R0.432 CCCC(=O)CSCCCCCC(=O)N 62a_100009817443_100000747444 [0,2,0,0,0,0|1,0,1]=4 13157 B14R0.432 CCCC(C)CCCOCCCC(=O)C 34a_100011713154_100000685027 [0,2,0,0,0,0|1,0,0]=3 13158 B14R0.432 CCCC(C)CCCOCCCC(=O)C 7a_100011713154_100011215641 [0,2,0,0,0,0|1,0,0]=3 13159 B14R0.432 CCCC(C)CCCOCCCC(=O)N 34a_100011713154_100102525003 [0,2,0,0,0,0|1,0,0]=3 13160 B14R0.432 CCCC(C)CCCOCCCC(=O)N 7a_100011713154_100102525003 [0,2,0,0,0,0|1,0,0]=3 13161 B14R0.432 CCCC(C)CCCOCCCC(C)O 34a_100011713154_200000718107 [0,2,0,0,0,0|1,0,1]=4 13162 B14R0.432 CCCC(C)CCCOCCCC(C)O 7a_100011713154_200000718107 [0,2,0,0,0,0|1,0,1]=4 13163 B14R0.432 CCCC(C)CCCOCCNC(=O)C 7a_100011713154_100000189650 [0,2,0,0,0,0|2,0,0]=4 13164 B14R0.432 CCCC(C)CCCOCCNC(=O)N 7a_100011713154_200000034859 [0,2,0,0,0,0|2,0,0]=4 13165 B14R0.432 CCCC(C)CCCOCCOC(=O)C 34a_100011713154_100009814007 [0,2,0,0,0,0|2,0,0]=4 13166 B14R0.432 CCCC(C)CCCOCCOC(=O)C 7a_100011713154_100009814007 [0,2,0,0,0,0|2,0,0]=4 13167 B14R0.432 CCCC(C)CCCOCCOC(=O)N 34a_100011713154_200011214921 [0,2,0,0,0,0|2,0,0]=4 13168 B14R0.432 CCCC(C)CCCOCCOC(=O)N 7a_100011713154_200011214921 [0,2,0,0,0,0|2,0,0]=4 13169 B14R0.432 CCCC(C)CCOCCCCB(O)O 34a_100011217855_200009817182 [0,2,0,0,0,0|1,0,1]=4 13170 B14R0.432 CCCC(C)CCOCCCCB(O)O 7a_100011217855_200009817182 [0,2,0,0,0,0|1,0,1]=4 13171 B14R0.432 CCCC(C)CCOCCCCC(=O)C 34a_100011217855_100009817362 [0,2,0,0,0,0|1,0,0]=3 13172 B14R0.432 CCCC(C)CCOCCCCC(=O)C 7a_100011217855_100000735457 [0,2,0,0,0,0|1,0,0]=3 13173 B14R0.432 CCCC(C)CCOCCCOC(=O)C 34a_100011217855_100000042594 [0,2,0,0,0,0|2,0,0]=4 13174 B14R0.432 CCCC(C)CCOCCCOC(=O)C 7a_100011217855_100000042594 [0,2,0,0,0,0|2,0,0]=4 13175 B14R0.432 CCCC(C)CCOCCCSC(=O)C 34a_100011217855_100000038929 [0,2,0,0,0,0|2,0,0]=4 13176 B14R0.432 CCCC(C)CCOCCCSC(=O)C 7a_100011217855_100000038929 [0,2,0,0,0,0|2,0,0]=4 13177 B14R0.432 CCCC(C)CCOCCOCC(=O)N 34a_100011217855_100000076697 [0,2,0,0,0,0|2,0,0]=4 13178 B14R0.432 CCCC(C)CCOCCOCC(=O)N 7a_100011217855_100000076697 [0,2,0,0,0,0|2,0,0]=4 13179 B14R0.432 CCCC(C)CNCCCCNC(=O)C 2230a_200011368371_100011216630 [0,2,0,0,0,0|2,0,0]=4 13180 B14R0.432 CCCC(C)CNCCCCNC(=O)C 270004a_200011368371_100000243154 [0,2,0,0,0,0|2,0,0]=4 13181 B14R0.432 CCCC(C)CNCCCCNC(=O)C 34a_200011368371_100011216630 [0,2,0,0,0,0|2,0,0]=4 13182 B14R0.432 CCCC(C)COCCCCCB(O)O 34a_100000688023_200009817188 [0,2,0,0,0,0|1,0,1]=4 13183 B14R0.432 CCCC(C)COCCCCCB(O)O 7a_100000688023_200009817188 [0,2,0,0,0,0|1,0,1]=4 13184 B14R0.432 CCCC(C)COCCCCCC(=O)N 34a_100000123541_100011216630 [0,2,0,0,0,0|1,0,0]=3 13185 B14R0.432 CCCC(C)COCCCCCC(=O)N 34a_100000688023_100009817443 [0,2,0,0,0,0|1,0,0]=3 13186 B14R0.432 CCCC(C)COCCCCCC(=O)N 7a_100000123541_100011216630 [0,2,0,0,0,0|1,0,0]=3 13187 B14R0.432 CCCC(C)COCCCCCC(=O)N 7a_100000688023_100009817443 [0,2,0,0,0,0|1,0,0]=3 13188 B14R0.432 CCCC(C)COCCCCCC(=O)[O-] 7a_100102619762_100011216630 [0,2,0,0,0,0|0,0,1]=3 13189 B14R0.432 CCCC(C)COCCCCOC(=O)C 34a_100000073216_100011216630 [0,2,0,0,0,0|2,0,0]=4 13190 B14R0.432 CCCC(C)COCCCCOC(=O)C 34a_100000688023_100000033659 [0,2,0,0,0,0|2,0,0]=4 13191 B14R0.432 CCCC(C)COCCCCOC(=O)C 7a_100000073216_100011216630 [0,2,0,0,0,0|2,0,0]=4 13192 B14R0.432 CCCC(C)COCCCCOC(=O)C 7a_100000688023_100000033659 [0,2,0,0,0,0|2,0,0]=4 13193 B14R0.432 CCCC(C)COCCCCSC(=O)C 34a_100000688023_200010402107 [0,2,0,0,0,0|2,0,0]=4 13194 B14R0.432 CCCC(C)COCCCCSC(=O)C 7a_100000688023_200010402107 [0,2,0,0,0,0|2,0,0]=4 13195 B14R0.432 CCCC(C)CSCCCCCB(O)O 62a_100011216630_200009817188 [0,2,0,0,0,0|1,0,1]=4 13196 B14R0.432 CCCC(C)CSCCCCCB(O)O 62a_200009817188_100011216630 [0,2,0,0,0,0|1,0,1]=4 13197 B14R0.432 CCCC(C)CSCCCCCC(=O)N 62a_100009817443_100011216630 [0,2,0,0,0,0|1,0,0]=3 13198 B14R0.432 CCCC(C)CSCCCCCC(=O)N 62a_100011216630_100009817443 [0,2,0,0,0,0|1,0,0]=3 13199 B14R0.432 CCCC(C)CSCCCCOC(=O)C 62a_100000033659_100011216630 [0,2,0,0,0,0|2,0,0]=4 13200 B14R0.432 CCCC(C)CSCCCCOC(=O)C 62a_100011216630_100000033659 [0,2,0,0,0,0|2,0,0]=4 13201 B14R0.432 CCCC(C)CSCCCCSC(=O)C 62a_100011216630_200010402107 [0,2,0,0,0,0|2,0,0]=4 13202 B14R0.432 CCCC(C)CSCCCCSC(=O)C 62a_200010402107_100011216630 [0,2,0,0,0,0|2,0,0]=4 13203 B14R0.432 CCCC(C)NCCCCCCB(O)O 2230a_100000741246_100009817187 [0,2,0,0,0,0|1,0,1]=4 13204 B14R0.432 CCCC(C)NCCCCCNC(=O)C 2230a_200012022750_100000766640 [0,2,0,0,0,0|2,0,0]=4 13205 B14R0.432 CCCC(C)NCCCCCNC(=O)C 270004a_200012022750_100000211909 [0,2,0,0,0,0|2,0,0]=4 13206 B14R0.432 CCCC(C)NCCCCCNC(=O)C 34a_200012022750_100000766640 [0,2,0,0,0,0|2,0,0]=4 13207 B14R0.432 CCCC(C)NCCCCCOC(=O)C 2230a_100000741246_100009813381 [0,2,0,0,0,0|2,0,0]=4 13208 B14R0.432 CCCC(C)OCCCCCCB(O)O 34a_100000764384_100009817187 [0,2,0,0,0,0|1,0,1]=4 13209 B14R0.432 CCCC(C)OCCCCCCB(O)O 7a_100000764384_100009817187 [0,2,0,0,0,0|1,0,1]=4 13210 B14R0.432 CCCC(C)OCCCCCOC(=O)C 34a_100000764384_100000033007 [0,2,0,0,0,0|2,0,0]=4 13211 B14R0.432 CCCC(C)OCCCCCOC(=O)C 7a_100000764384_100000033007 [0,2,0,0,0,0|2,0,0]=4 13212 B14R0.432 CCCC(C)SCCCCCCB(O)O 62a_100000766640_100009817187 [0,2,0,0,0,0|1,0,1]=4 13213 B14R0.432 CCCC(C)SCCCCCCB(O)O 62a_100009817187_100000766640 [0,2,0,0,0,0|1,0,1]=4 13214 B14R0.432 CCCC(C)SCCCCCOC(=O)C 62a_100000033007_100000766640 [0,2,0,0,0,0|2,0,0]=4 13215 B14R0.432 CCCC(C)SCCCCCOC(=O)C 62a_100000766640_100000033007 [0,2,0,0,0,0|2,0,0]=4 13216 B14R0.432 CCC[C@H](N)CCOCCCCB(O)O 34a_100015193777_200009817182 [0,2,0,0,0,0|1,0,1]=4 13217 B14R0.432 CCC[C@H](N)CCOCCCCC(=O)C 34a_100015193777_100009817362 [0,2,0,0,0,0|1,0,0]=3 13218 B14R0.432 CCC[C@H](N)CCOCCCOC(=O)C 34a_100015193777_100000042594 [0,2,0,0,0,0|2,0,0]=4 13219 B14R0.432 CCC[C@H](N)CCOCCCSC(=O)C 34a_100015193777_100000038929 [0,2,0,0,0,0|2,0,0]=4 13220 B14R0.432 CCC[C@H](N)CCOCCOCC(=O)N 34a_100015193777_100000076697 [0,2,0,0,0,0|2,0,0]=4 13221 B14R0.432 CCC[C@H](N)COCCCCCB(O)O 34a_100000732646_200009817188 [0,2,0,0,0,0|1,0,1]=4 13222 B14R0.432 CCC[C@H](N)COCCCCCC(=O)N 34a_100000732646_100009817443 [0,2,0,0,0,0|1,0,0]=3 13223 B14R0.432 CCC[C@H](N)COCCCCOC(=O)C 34a_100000732646_100000033659 [0,2,0,0,0,0|2,0,0]=4 13224 B14R0.432 CCC[C@H](N)COCCCCSC(=O)C 34a_100000732646_200010402107 [0,2,0,0,0,0|2,0,0]=4 13225 B14R0.432 CCOC(=O)CCCCCCCC(=O)C 1458a_100000070787_100009991516 [0,2,0,0,0,0|1,0,1]=4 13226 B14R0.432 CCOC(=O)CCCCCNCC(=O)O 269956a_100016091260_100000755133 [0,2,0,0,0,0|1,0,1]=4 13227 B14R0.432 COCC(N)COCCCCCC(=O)N 34a_100000724102_100009817443 [0,2,0,0,0,0|2,0,0]=4 13228 B14R0.432 COCC(O)CNCCCCCC(=O)N 2230a_100000756049_100009817443 [0,2,0,0,0,0|2,0,0]=4 13229 B14R0.432 COCC(O)CNCCCCCC(=O)N 34a_100000756049_100009817443 [0,2,0,0,0,0|2,0,0]=4 13230 B14R0.432 COCC(O)COCCCCCC(=O)N 34a_100000123541_100011215053 [0,2,0,0,0,0|2,0,0]=4 13231 B14R0.432 COCC(O)COCCCCCC(=O)N 7a_100000123541_100011215053 [0,2,0,0,0,0|2,0,0]=4 13232 B14R0.432 COCC(O)COCCCCCC(=O)[O-] 7a_100102619762_100011215053 [0,2,0,0,0,0|1,0,1]=4 13233 B14R0.432 COCC(O)CSCCCCCC(=O)N 62a_100009817443_100011215053 [0,2,0,0,0,0|2,0,0]=4 13234 B14R0.432 COCC(O)CSCCCCCC(=O)N 62a_100011215053_100009817443 [0,2,0,0,0,0|2,0,0]=4 13235 B14R0.2224 C=C(C)COCCC(C)CCCCCC 34a_200011024964_100000748629 [0,2,0,0,0,0|2,0,0]=4 13236 B14R0.2224 C=C(C)COCCC(C)CCCCCC 7a_200011024964_100000748629 [0,2,0,0,0,0|2,0,0]=4 13237 B14R0.2224 C=C(F)COCCC(C)CCCCCC 34a_200011024964_100009893438 [0,2,0,0,0,0|2,0,0]=4 13238 B14R0.2224 C=C(F)COCCC(C)CCCCCC 7a_200011024964_100000042424 [0,2,0,0,0,0|2,0,0]=4 13239 B14R0.2224 CC(=O)CCCCC(=O)CCCCCO 1458a_100102619762_100000735457 [0,2,0,0,0,0|1,0,1]=4 13240 B14R0.2224 CC(=O)CCCCN(C)CCCCCO 269982a_100000722520_100000735457 [0,2,0,0,0,0|2,0,0]=4 13241 B14R0.2224 CCCCCCC(=O)CCCCB(O)O 1458a_100102632555_200009817182 [0,2,0,0,0,0|1,0,1]=4 13242 B14R0.2224 CCCCCCC(=O)CCCCC(=O)C 1458a_100102632555_100000735457 [0,2,0,0,0,0|1,0,0]=3 13243 B14R0.2224 CCCCCCC(=O)CCCNC(=O)C 1458a_100000194741_100000210757 [0,2,0,0,0,0|1,0,1]=4 13244 B14R0.2224 CCCCCCC(=O)CCCOC(=O)C 1458a_100102632555_100000042594 [0,2,0,0,0,0|1,0,1]=4 13245 B14R0.2224 CCCCCCC(=O)CCCSC(=O)C 1458a_100102632555_100000038929 [0,2,0,0,0,0|1,0,1]=4 13246 B14R0.2224 CCCCCCC(=O)CCOCC(=O)N 1458a_100102632555_100000076697 [0,2,0,0,0,0|1,0,1]=4 13247 B14R0.2224 CCCCCCC(=O)CCSCC(=O)N 1458a_100000148550_100000210757 [0,2,0,0,0,0|1,0,1]=4 13248 B14R0.2224 CCCCCCC(=O)NCCCC(=O)N 240690a_100000739312_100102632555 [0,2,0,0,0,0|1,0,1]=4 13249 B14R0.2224 CCCCCCC(=O)NCCCC(=O)N 527a_100000739312_100102632555 [0,2,0,0,0,0|1,0,1]=4 13250 B14R0.2224 CCCCCCC(C)CCOCC(=O)N 34a_200011024964_100000187820 [0,2,0,0,0,0|1,0,0]=3 13251 B14R0.2224 CCCCCCC(C)CCOCC(=O)N 7a_200011024964_100000187820 [0,2,0,0,0,0|1,0,0]=3 13252 B14R0.2224 CCCCCCC(C)CCOCC(=O)[O-] 34a_200011024964_100020667443 [0,2,0,0,0,0|0,0,1]=3 13253 B14R0.2224 CCCCCCC(C)CCOCC(C)O 34a_200011024964_100011218427 [0,2,0,0,0,0|1,0,1]=4 13254 B14R0.2224 CCCCCCC(C)CCOCC(C)O 7a_200011024964_100011218427 [0,2,0,0,0,0|1,0,1]=4 13255 B14R0.2224 CCCCCCC(C)CCOC[C@@H](C)O 34a_200011024964_100009817552 [0,2,0,0,0,0|1,0,1]=4 13256 B14R0.2224 CCCCCCC(C)CCOC[C@@H](C)O 7a_200011024964_100009817552 [0,2,0,0,0,0|1,0,1]=4 13257 B14R0.2224 CCCCCCC(C)CCOC[N+](=O)[O-] 34a_200011024964_100000761209 [0,2,0,0,0,0|1,0,1]=4 13258 B14R0.2224 CCCCCCC(C)NCCCC(=O)C 34a_100000210919_100000685027 [0,2,0,0,0,0|1,0,0]=3 13259 B14R0.2224 CCCCCCC(C)NCCCC(=O)N 34a_100000210919_100102525003 [0,2,0,0,0,0|1,0,0]=3 13260 B14R0.2224 CCCCCCC(C)NCCCC(=O)N 34a_100000739312_100011215978 [0,2,0,0,0,0|1,0,0]=3 13261 B14R0.2224 CCCCCCC(C)NCCCC(C)O 2230a_100000210919_200000718107 [0,2,0,0,0,0|1,0,1]=4 13262 B14R0.2224 CCCCCCC(C)NCCCC(C)O 34a_100000210919_200000718107 [0,2,0,0,0,0|1,0,1]=4 13263 B14R0.2224 CCCCCCC(C)NCCCS(=O)C 2230a_200000753449_100011215978 [0,2,0,0,0,0|2,0,0]=4 13264 B14R0.2224 CCCCCCC(C)NCCCS(=O)C 270004a_200000753449_100000210826 [0,2,0,0,0,0|2,0,0]=4 13265 B14R0.2224 CCCCCCC(C)NCCNC(=O)C 2230a_100000209853_100011215978 [0,2,0,0,0,0|2,0,0]=4 13266 B14R0.2224 CCCCCCC(C)NCCNC(=O)C 2230a_100000210919_100000189650 [0,2,0,0,0,0|2,0,0]=4 13267 B14R0.2224 CCCCCCC(C)NCCNC(=O)N 2230a_100000210919_200000034859 [0,2,0,0,0,0|2,0,0]=4 13268 B14R0.2224 CCCCCCC(C)NCCNC(=O)N 34a_100020590234_100011215978 [0,2,0,0,0,0|2,0,0]=4 13269 B14R0.2224 CCCCCCC(C)NCCOC(=O)C 34a_100000210919_100009814007 [0,2,0,0,0,0|2,0,0]=4 13270 B14R0.2224 CCCCCCC(C)NCCOC(=O)N 34a_100000210919_200011214921 [0,2,0,0,0,0|2,0,0]=4 13271 B14R0.2224 CCCCCCC(C)OCCCC(=O)C 34a_100000210265_100000685027 [0,2,0,0,0,0|1,0,0]=3 13272 B14R0.2224 CCCCCCC(C)OCCCC(=O)C 34a_100000759063_100011215978 [0,2,0,0,0,0|1,0,0]=3 13273 B14R0.2224 CCCCCCC(C)OCCCC(=O)C 7a_100000210265_100011215641 [0,2,0,0,0,0|1,0,0]=3 13274 B14R0.2224 CCCCCCC(C)OCCCC(=O)C 7a_100000759063_100011215978 [0,2,0,0,0,0|1,0,0]=3 13275 B14R0.2224 CCCCCCC(C)OCCCC(=O)N 34a_100000210265_100102525003 [0,2,0,0,0,0|1,0,0]=3 13276 B14R0.2224 CCCCCCC(C)OCCCC(=O)N 7a_100000210265_100102525003 [0,2,0,0,0,0|1,0,0]=3 13277 B14R0.2224 CCCCCCC(C)OCCCC(C)O 34a_100000210265_200000718107 [0,2,0,0,0,0|1,0,1]=4 13278 B14R0.2224 CCCCCCC(C)OCCCC(C)O 7a_100000210265_200000718107 [0,2,0,0,0,0|1,0,1]=4 13279 B14R0.2224 CCCCCCC(C)OCCC[N+](=O)[O-] 34a_200000037920_100011215978 [0,2,0,0,0,0|1,0,1]=4 13280 B14R0.2224 CCCCCCC(C)OCCNC(=O)C 34a_100000158858_100011215978 [0,2,0,0,0,0|2,0,0]=4 13281 B14R0.2224 CCCCCCC(C)OCCNC(=O)C 7a_100000210265_100000189650 [0,2,0,0,0,0|2,0,0]=4 13282 B14R0.2224 CCCCCCC(C)OCCNC(=O)N 34a_100000181757_100011215978 [0,2,0,0,0,0|2,0,0]=4 13283 B14R0.2224 CCCCCCC(C)OCCNC(=O)N 7a_100000210265_200000034859 [0,2,0,0,0,0|2,0,0]=4 13284 B14R0.2224 CCCCCCC(C)OCCOC(=O)C 34a_100000210265_100009814007 [0,2,0,0,0,0|2,0,0]=4 13285 B14R0.2224 CCCCCCC(C)OCCOC(=O)C 7a_100000210265_100009814007 [0,2,0,0,0,0|2,0,0]=4 13286 B14R0.2224 CCCCCCC(C)OCCOC(=O)N 34a_100000210265_200011214921 [0,2,0,0,0,0|2,0,0]=4 13287 B14R0.2224 CCCCCCC(C)OCCOC(=O)N 7a_100000210265_200011214921 [0,2,0,0,0,0|2,0,0]=4 13288 B14R0.2224 CCCCCCC(C)OCCOC(=O)N 7a_100000766696_100011215978 [0,2,0,0,0,0|2,0,0]=4 13289 B14R0.2224 CCCCCCC(C)SCCCC(=O)C 62a_100011215641_100011215978 [0,2,0,0,0,0|1,0,0]=3 13290 B14R0.2224 CCCCCCC(C)SCCCC(=O)C 62a_100011215978_100011215641 [0,2,0,0,0,0|1,0,0]=3 13291 B14R0.2224 CCCCCCC(C)SCCCC(=O)N 62a_100011215978_100102525003 [0,2,0,0,0,0|1,0,0]=3 13292 B14R0.2224 CCCCCCC(C)SCCCC(=O)N 62a_100102525003_100011215978 [0,2,0,0,0,0|1,0,0]=3 13293 B14R0.2224 CCCCCCC(C)SCCCC(C)O 62a_100011215978_200000718107 [0,2,0,0,0,0|1,0,1]=4 13294 B14R0.2224 CCCCCCC(C)SCCCC(C)O 62a_200000718107_100011215978 [0,2,0,0,0,0|1,0,1]=4 13295 B14R0.2224 CCCCCCC(C)SCCNC(=O)C 62a_100000189650_100011215978 [0,2,0,0,0,0|2,0,0]=4 13296 B14R0.2224 CCCCCCC(C)SCCNC(=O)C 62a_100011215978_100000189650 [0,2,0,0,0,0|2,0,0]=4 13297 B14R0.2224 CCCCCCC(C)SCCNC(=O)N 62a_100011215978_200000034859 [0,2,0,0,0,0|2,0,0]=4 13298 B14R0.2224 CCCCCCC(C)SCCNC(=O)N 62a_200000034859_100011215978 [0,2,0,0,0,0|2,0,0]=4 13299 B14R0.2224 CCCCCCC(C)SCCOC(=O)C 62a_100009814007_100011215978 [0,2,0,0,0,0|2,0,0]=4 13300 B14R0.2224 CCCCCCC(C)SCCOC(=O)C 62a_100011215978_100009814007 [0,2,0,0,0,0|2,0,0]=4 13301 B14R0.2224 CCCCCCC(C)SCCOC(=O)N 62a_100011215978_200011214921 [0,2,0,0,0,0|2,0,0]=4 13302 B14R0.2224 CCCCCCC(C)SCCOC(=O)N 62a_200011214921_100011215978 [0,2,0,0,0,0|2,0,0]=4 13303 B14R0.2224 CCCCCCN(C)CCCCB(O)O 2230a_106256046315_200009817182 [0,2,0,0,0,0|1,0,1]=4 13304 B14R0.2224 CCCCCCN(C)CCCCB(O)O 269982a_106256046315_200009817182 [0,2,0,0,0,0|1,0,1]=4 13305 B14R0.2224 CCCCCCN(C)CCCCC(=O)C 269982a_106256046315_100000735457 [0,2,0,0,0,0|1,0,0]=3 13306 B14R0.2224 CCCCCCN(C)CCCOC(=O)C 269982a_106256046315_100000042594 [0,2,0,0,0,0|2,0,0]=4 13307 B14R0.2224 CCCCCCN(C)CCCSC(=O)C 2230a_106256046315_100000038929 [0,2,0,0,0,0|2,0,0]=4 13308 B14R0.2224 CCCCCCN(C)CCCSC(=O)C 269982a_106256046315_100000038929 [0,2,0,0,0,0|2,0,0]=4 13309 B14R0.2224 CCCCCCN(C)CCOCC(=O)N 2230a_106256046315_100000076697 [0,2,0,0,0,0|2,0,0]=4 13310 B14R0.2224 CCCCCCN(C)CCOCC(=O)N 269982a_106256046315_100000076697 [0,2,0,0,0,0|2,0,0]=4 13311 B14R0.2224 CCCCOCC(=O)CCCCC(=O)C 1458a_100000757543_100000735457 [0,2,0,0,0,0|1,0,1]=4 13312 B14R0.2224 CCCCOCC(C)OCCCC(=O)C 34a_100011217071_100000685027 [0,2,0,0,0,0|2,0,0]=4 13313 B14R0.2224 CCCCOCC(C)OCCCC(=O)C 7a_100011217071_100011215641 [0,2,0,0,0,0|2,0,0]=4 13314 B14R0.2224 CCCCOCC(C)OCCCC(=O)N 34a_100011217071_100102525003 [0,2,0,0,0,0|2,0,0]=4 13315 B14R0.2224 CCCCOCC(C)OCCCC(=O)N 7a_100011217071_100102525003 [0,2,0,0,0,0|2,0,0]=4 13316 B14R0.2224 CCCCSCC(=O)CCCCC(=O)C 1458a_100000191162_100000735457 [0,2,0,0,0,0|1,0,1]=4 13317 B14R0.32 CCCC(=O)CCCCCCC(=O)OC 1458a_100000036694_100000210303 [0,2,0,0,0,0|0,0,1]=3 13318 B14R0.32 CCCC(=O)CCCCCCC(=O)OC 1458a_100000211992_100009815986 [0,2,0,0,0,0|0,0,1]=3 13319 B14R0.32 CCCC(=O)COCCCCC(=O)OC 7a_100000059025_100000747444 [0,2,0,0,0,0|1,0,1]=4 13320 B14R0.32 CCCC(=O)CSCCCCC(=O)OC 62a_100000204269_100000747444 [0,2,0,0,0,0|1,0,1]=4 13321 B14R0.32 CCCC(=O)CSCCCCC(=O)OC 62a_100000747444_100000204269 [0,2,0,0,0,0|1,0,1]=4 13322 B14R0.32 CCCC(=O)NCCCCCC(=O)OC 188690a_100000184999_100000211992 [0,2,0,0,0,0|1,0,1]=4 13323 B14R0.32 CCCC(C)CCCOCCC(=O)NC 34a_100011713154_100012179268 [0,2,0,0,0,0|2,0,0]=4 13324 B14R0.32 CCCC(C)CCCOCCC(=O)NC 7a_100011713154_100000737683 [0,2,0,0,0,0|2,0,0]=4 13325 B14R0.32 CCCC(C)CCCOCCC(=O)OC 34a_100011713154_100000742370 [0,2,0,0,0,0|1,0,0]=3 13326 B14R0.32 CCCC(C)CCCOCCC(=O)OC 7a_100011713154_100000204255 [0,2,0,0,0,0|1,0,0]=3 13327 B14R0.32 CCCC(C)CCOCCCC(=O)NC 34a_100011217855_100000741757 [0,2,0,0,0,0|2,0,0]=4 13328 B14R0.32 CCCC(C)CCOCCCC(=O)NC 7a_100011217855_100000741757 [0,2,0,0,0,0|2,0,0]=4 13329 B14R0.32 CCCC(C)CCOCCCC(=O)OC 34a_100011217855_100000742333 [0,2,0,0,0,0|1,0,0]=3 13330 B14R0.32 CCCC(C)CCOCCCC(=O)OC 7a_100011217855_100011218270 [0,2,0,0,0,0|1,0,0]=3 13331 B14R0.32 CCCC(C)COCCCCC(=O)OC 34a_100000059025_100011216630 [0,2,0,0,0,0|1,0,0]=3 13332 B14R0.32 CCCC(C)COCCCCC(=O)OC 34a_100000688023_100000204269 [0,2,0,0,0,0|1,0,0]=3 13333 B14R0.32 CCCC(C)COCCCCC(=O)OC 7a_100000059025_100011216630 [0,2,0,0,0,0|1,0,0]=3 13334 B14R0.32 CCCC(C)COCCCCC(=O)OC 7a_100000688023_100000204269 [0,2,0,0,0,0|1,0,0]=3 13335 B14R0.32 CCCC(C)COCCOCC(=O)OC 34a_100000688023_100000090808 [0,2,0,0,0,0|2,0,0]=4 13336 B14R0.32 CCCC(C)COCCOCC(=O)OC 7a_100000688023_100000090808 [0,2,0,0,0,0|2,0,0]=4 13337 B14R0.32 CCCC(C)CSCCCCC(=O)OC 62a_100000204269_100011216630 [0,2,0,0,0,0|1,0,0]=3 13338 B14R0.32 CCCC(C)CSCCCCC(=O)OC 62a_100011216630_100000204269 [0,2,0,0,0,0|1,0,0]=3 13339 B14R0.32 CCCC(C)CSCCOCC(=O)OC 62a_100000090808_100011216630 [0,2,0,0,0,0|2,0,0]=4 13340 B14R0.32 CCCC(C)CSCCOCC(=O)OC 62a_100011216630_100000090808 [0,2,0,0,0,0|2,0,0]=4 13341 B14R0.32 CCCC(C)NCCCCCC(=O)OC 2230a_100000741246_100009816466 [0,2,0,0,0,0|1,0,0]=3 13342 B14R0.32 CCCC(C)OCCCCCC(=O)OC 34a_100000074720_100000766640 [0,2,0,0,0,0|1,0,0]=3 13343 B14R0.32 CCCC(C)OCCCCCC(=O)OC 34a_100000764384_100009816466 [0,2,0,0,0,0|1,0,0]=3 13344 B14R0.32 CCCC(C)OCCCCCC(=O)OC 7a_100000074720_100000766640 [0,2,0,0,0,0|1,0,0]=3 13345 B14R0.32 CCCC(C)OCCCCCC(=O)OC 7a_100000764384_100009816466 [0,2,0,0,0,0|1,0,0]=3 13346 B14R0.32 CCCC(C)SCCCCCC(=O)OC 62a_100000766640_100009816466 [0,2,0,0,0,0|1,0,0]=3 13347 B14R0.32 CCCC(C)SCCCCCC(=O)OC 62a_100009816466_100000766640 [0,2,0,0,0,0|1,0,0]=3 13348 B14R0.32 CCCN(C)CCCCCCC(=O)OC 2230a_100000747261_100009815986 [0,2,0,0,0,0|1,0,0]=3 13349 B14R0.32 CCCN(C)CCCCCCC(=O)OC 269982a_100000747261_100009815986 [0,2,0,0,0,0|1,0,0]=3 13350 B14R0.32 CCC[C@H](N)CCOCCCC(=O)NC 34a_100015193777_100000741757 [0,2,0,0,0,0|2,0,0]=4 13351 B14R0.32 CCC[C@H](N)CCOCCCC(=O)OC 34a_100015193777_100000742333 [0,2,0,0,0,0|1,0,0]=3 13352 B14R0.32 CCC[C@H](N)COCCCCC(=O)OC 34a_100000732646_100000204269 [0,2,0,0,0,0|1,0,0]=3 13353 B14R0.32 CCC[C@H](N)COCCOCC(=O)OC 34a_100000732646_100000090808 [0,2,0,0,0,0|2,0,0]=4 13354 B14R0.32 CCNC(=O)CCCCCCC(=O)OC 11a_100015525214_100000036694 [0,2,0,0,0,0|1,0,1]=4 13355 B14R0.32 CCNC(=O)CCCCCCC(=O)OC 240690a_100015525214_100000036694 [0,2,0,0,0,0|1,0,1]=4 13356 B14R0.32 CCOC(=O)CCCCCCC(=O)CO 1458a_100000210174_100009814379 [0,2,0,0,0,0|1,0,1]=4 13357 B14R0.32 COC(=O)CCCCCCC(=O)CCF 1458a_100000036694_100011217306 [0,2,0,0,0,0|1,0,1]=4 13358 B14R0.32 COC(=O)CCCCCCC(=O)CCO 1458a_100000036694_100000211926 [0,2,0,0,0,0|1,0,1]=4 13359 B14R0.32 COC(=O)CCCCCCC(=O)CCO 1458a_100011216618_100009815986 [0,2,0,0,0,0|1,0,1]=4 13360 B14R0.32 COC(=O)CCCCCCC(=O)CSC 1458a_100000184570_100009815986 [0,2,0,0,0,0|1,0,1]=4 13361 B14R0.32 COC(=O)CCCCCCN(C)CCO 2230a_100000210263_100009815986 [0,2,0,0,0,0|2,0,0]=4 13362 B14R0.32 COC(=O)CCCCCCN(C)CCO 269982a_100000210263_100009815986 [0,2,0,0,0,0|2,0,0]=4 13363 B14R0.32 COC(=O)CCCCCN[C@H](C)CCO 2230a_100000706166_100009816466 [0,2,0,0,0,0|2,0,0]=4 13364 B14R0.32 COC(=O)CCCCCN[C@H](C)CCO 34a_100000706166_100009816466 [0,2,0,0,0,0|2,0,0]=4 13365 B14R0.32 COC(=O)CCCCCOC(C)CCBr 34a_100012276601_100009816466 [0,2,0,0,0,0|2,0,0]=4 13366 B14R0.32 COC(=O)CCCCCOC(C)CCO 34a_100000074720_100009893172 [0,2,0,0,0,0|2,0,0]=4 13367 B14R0.32 COC(=O)CCCCCOC(C)CCO 7a_100000074720_100009893172 [0,2,0,0,0,0|2,0,0]=4 13368 B14R0.32 COC(=O)CCCCCSC(C)CCO 62a_100009816466_100009893172 [0,2,0,0,0,0|2,0,0]=4 13369 B14R0.32 COC(=O)CCCCCSC(C)CCO 62a_100009893172_100009816466 [0,2,0,0,0,0|2,0,0]=4 13370 B14R0.32 COC(=O)CCCCOCC(C)CCN 34a_106354213184_100000204269 [0,2,0,0,0,0|2,0,0]=4 13371 B14R0.32 COCC(=O)CCCCCCC(=O)OC 1458a_100000210968_100009815986 [0,2,0,0,0,0|1,0,1]=4 13372 B14R0.32 COCC(C)OCCCCCC(=O)OC 34a_100000074720_100000765312 [0,2,0,0,0,0|2,0,0]=4 13373 B14R0.32 COCC(C)OCCCCCC(=O)OC 7a_100000074720_100000765312 [0,2,0,0,0,0|2,0,0]=4 13374 B14R0.32 COCC(C)SCCCCCC(=O)OC 62a_100000765312_100009816466 [0,2,0,0,0,0|2,0,0]=4 13375 B14R0.32 COCC(C)SCCCCCC(=O)OC 62a_100009816466_100000765312 [0,2,0,0,0,0|2,0,0]=4 13376 B14R0.32 COCC(N)COCCCCC(=O)OC 34a_100000724102_100000204269 [0,2,0,0,0,0|2,0,0]=4 13377 B14R0.32 COCC(O)CNCCCCC(=O)OC 2230a_100000756049_100000204269 [0,2,0,0,0,0|2,0,0]=4 13378 B14R0.32 COCC(O)CNCCCCC(=O)OC 34a_100000756049_100000204269 [0,2,0,0,0,0|2,0,0]=4 13379 B14R0.32 COCC(O)COCCCCC(=O)OC 34a_100000059025_100011215053 [0,2,0,0,0,0|2,0,0]=4 13380 B14R0.32 COCC(O)COCCCCC(=O)OC 7a_100000059025_100011215053 [0,2,0,0,0,0|2,0,0]=4 13381 B14R0.32 COCC(O)CSCCCCC(=O)OC 62a_100000204269_100011215053 [0,2,0,0,0,0|2,0,0]=4 13382 B14R0.32 COCC(O)CSCCCCC(=O)OC 62a_100011215053_100000204269 [0,2,0,0,0,0|2,0,0]=4 13383 B14R0.32 COC[C@@H](C)NCCCCCC(=O)OC 2230a_100000764878_100009816466 [0,2,0,0,0,0|2,0,0]=4 13384 B14R0.32 COC[C@@H](C)OCCCCCC(=O)OC 34a_100011934205_100009816466 [0,2,0,0,0,0|2,0,0]=4 13385 B14R0.131 CCC(C)C(C)OCCCCCC(=O)N 7a_100011215189_100009817443 [0,2,0,0,0,0|2,0,0]=4 13386 B14R0.287 CCCC(C)(C)COCCCCC(=O)C 7a_100011995695_100000735457 [0,2,0,0,0,0|2,0,0]=4 13387 B14R0.287 CCCC(C)(C)OCCCCCC(=O)N 7a_100000748436_100009817443 [0,2,0,0,0,0|2,0,0]=4 13388 B14R0.315 CCCC(C)C(=O)CCCCCC(=O)N 1458a_100000210906_100009817443 [0,2,0,0,0,0|1,0,1]=4 13389 B14R0.315 CCCC(C)C(C)NCCCCC(=O)N 270004a_100000696515_100011216282 [0,2,0,0,0,0|2,0,0]=4 13390 B14R0.315 CCCC(C)C(C)OCCCCC(=O)C 34a_100000708338_100009817362 [0,2,0,0,0,0|2,0,0]=4 13391 B14R0.315 CCCC(C)C(C)OCCCCC(=O)C 7a_100000708338_100000735457 [0,2,0,0,0,0|2,0,0]=4 13392 B14R0.315 CCC[C@H](O)C(=O)CCCCCC(=O)N 1458a_100009822183_100009817443 [0,2,0,0,0,0|1,0,1]=4 13393 B14R0.379 C#CC(CCC)OCCCCCC(=O)N 34a_200011217317_100009817443 [0,2,0,0,0,0|2,0,0]=4 13394 B14R0.379 C#CC(CCC)OCCCCCC(=O)N 7a_200011217317_100009817443 [0,2,0,0,0,0|2,0,0]=4 13395 B14R0.379 C=CC(CCC)OCCCCCC(=O)N 34a_100011216692_100009817443 [0,2,0,0,0,0|2,0,0]=4 13396 B14R0.379 C=CC(CCC)OCCCCCC(=O)N 7a_100011216692_100009817443 [0,2,0,0,0,0|2,0,0]=4 13397 B14R0.379 CCCC(C#N)OCCCCCC(=O)N 34a_100000686963_100009817443 [0,2,0,0,0,0|2,0,0]=4 13398 B14R0.379 CCCC(C#N)OCCCCCC(=O)N 7a_100000686963_100009817443 [0,2,0,0,0,0|2,0,0]=4 13399 B14R0.379 CCCC(CC)NCCCCCC(=O)N 2230a_100000747048_100009817443 [0,2,0,0,0,0|2,0,0]=4 13400 B14R0.379 CCCC(CC)OCCCCCC(=O)N 34a_100000687864_100009817443 [0,2,0,0,0,0|2,0,0]=4 13401 B14R0.379 CCCC(CC)OCCCCCC(=O)N 7a_100000123541_100011219200 [0,2,0,0,0,0|2,0,0]=4 13402 B14R0.379 CCCC(CC)OCCCCCC(=O)N 7a_100000687864_100009817443 [0,2,0,0,0,0|2,0,0]=4 13403 B14R0.379 CCCC(CC)OCCCCCC(=O)[O-] 7a_100102619762_100011219200 [0,2,0,0,0,0|1,0,1]=4 13404 B14R0.379 CCCC(CC)SCCCCCC(=O)N 62a_100009817443_100011219200 [0,2,0,0,0,0|2,0,0]=4 13405 B14R0.379 CCCC(CC)SCCCCCC(=O)N 62a_100011219200_100009817443 [0,2,0,0,0,0|2,0,0]=4 13406 B14R0.379 CCCC(CCOCCCC(=O)C)SC 34a_100000032865_100000685027 [0,2,0,0,0,0|2,0,0]=4 13407 B14R0.379 CCCC(CCOCCCC(=O)C)SC 7a_100000032865_100011215641 [0,2,0,0,0,0|2,0,0]=4 13408 B14R0.379 CCCC(CCOCCCC(=O)N)SC 34a_100000032865_100102525003 [0,2,0,0,0,0|2,0,0]=4 13409 B14R0.379 CCCC(CCOCCCC(=O)N)SC 7a_100000032865_100102525003 [0,2,0,0,0,0|2,0,0]=4 13410 B14R0.379 CCC[C@@H](CO)NCCCCCC(=O)N 2230a_100000732646_100009817443 [0,2,0,0,0,0|2,0,0]=4 13411 B14R0.379 CCC[C@@H](CO)NCCCCCC(=O)N 34a_100000732646_100009817443 [0,2,0,0,0,0|2,0,0]=4 13412 B14R0.427 CC(=O)CCCCNCC(O)CC(=O)O 269956a_100011218706_100000735457 [0,2,0,0,0,0|1,0,1]=4 13413 B14R0.427 CC(=O)CCCCOC[C@@H](N)CC(C)C 34a_100011830311_100009817362 [0,2,0,0,0,0|2,0,0]=4 13414 B14R0.427 CC(=O)CCCOCC[C@@H](N)CC(C)C 34a_100161151251_100000685027 [0,2,0,0,0,0|2,0,0]=4 13415 B14R0.427 CC(C)CC(C)NCCCCCC(=O)N 2230a_100000692259_100009817443 [0,2,0,0,0,0|2,0,0]=4 13416 B14R0.427 CC(C)CC(C)OCCCCCC(=O)N 34a_100000123541_100000731052 [0,2,0,0,0,0|2,0,0]=4 13417 B14R0.427 CC(C)CC(C)OCCCCCC(=O)N 34a_100000211805_100009817443 [0,2,0,0,0,0|2,0,0]=4 13418 B14R0.427 CC(C)CC(C)OCCCCCC(=O)N 7a_100000123541_100000731052 [0,2,0,0,0,0|2,0,0]=4 13419 B14R0.427 CC(C)CC(C)OCCCCCC(=O)N 7a_100000211805_100009817443 [0,2,0,0,0,0|2,0,0]=4 13420 B14R0.427 CC(C)CC(C)OCCCCCC(=O)[O-] 7a_100102619762_100000731052 [0,2,0,0,0,0|1,0,1]=4 13421 B14R0.427 CC(C)CC(C)SCCCCCC(=O)N 62a_100000731052_100009817443 [0,2,0,0,0,0|2,0,0]=4 13422 B14R0.427 CC(C)CC(C)SCCCCCC(=O)N 62a_100009817443_100000731052 [0,2,0,0,0,0|2,0,0]=4 13423 B14R0.427 CC(C)CCCCCCC(=O)CC(=O)N 1458a_100000040743_100000187820 [0,2,0,0,0,0|1,0,1]=4 13424 B14R0.427 CC(C)CCCCCCC(=O)CC(=O)[O-] 1458a_100000040743_100020667443 [0,2,0,0,0,0|0,0,2]=4 13425 B14R0.427 CC(C)CCCCNCC(O)CC(=O)O 269956a_100011218706_100011216152 [0,2,0,0,0,0|1,0,0]=3 13426 B14R0.427 CC(C)C[C@H](N)CCOCCCC(=O)N 34a_100161151251_100102525003 [0,2,0,0,0,0|2,0,0]=4 13427 B14R0.427 CN(C)CCCCNCC(O)CC(=O)O 269956a_100011218706_100000690147 [0,2,0,0,0,0|2,0,0]=4 13428 B14R0.2863 CCCC(C)CC(=O)CCCCC(=O)C 1458a_100000748435_100000735457 [0,2,0,0,0,0|1,0,1]=4 13429 B14R0.46 CCCCC(C)C(=O)CCCCC(=O)C 1458a_100000725509_100000735457 [0,2,0,0,0,0|1,0,1]=4 13430 B14R0.46 CCCCC(O)C(=O)CCCCC(=O)C 1458a_100000720857_100000735457 [0,2,0,0,0,0|1,0,1]=4 13431 B14R0.101 CCC(C)CC(=O)CCCCCC(=O)N 1458a_100000708755_100009817443 [0,2,0,0,0,0|1,0,1]=4 13432 B14R0.101 CCC(C)CC(C)NCCCCC(=O)N 270004a_100000696515_100011710205 [0,2,0,0,0,0|2,0,0]=4 13433 B14R0.101 CCC(C)CN(C)CCCCCC(=O)N 2230a_100000753921_100009817443 [0,2,0,0,0,0|2,0,0]=4 13434 B14R0.101 CCC(C)CN(C)CCCCCC(=O)N 269982a_100000753921_100009817443 [0,2,0,0,0,0|2,0,0]=4 13435 B14R0.101 CCC(O)CC(=O)CCCCCC(=O)N 1458a_100011667805_100009817443 [0,2,0,0,0,0|1,0,1]=4 13436 B14R0.152 CCCCC(=O)CCCCCC(=O)OC 1458a_100000210183_100009816466 [0,2,0,0,0,0|0,0,1]=3 13437 B14R0.152 CCCCC(=O)CCCCCC(=O)OC 1458a_100009848860_100000210211 [0,2,0,0,0,0|0,0,1]=3 13438 B14R0.152 CCCCC(=O)NCCCCC(=O)OC 188690a_100000746077_100000210183 [0,2,0,0,0,0|1,0,1]=4 13439 B14R0.152 CCCCC(C)COCCCC(=O)NC 34a_100011995851_100000741757 [0,2,0,0,0,0|2,0,0]=4 13440 B14R0.152 CCCCC(C)COCCCC(=O)NC 7a_100011995851_100000741757 [0,2,0,0,0,0|2,0,0]=4 13441 B14R0.152 CCCCC(C)COCCCC(=O)OC 34a_100011995851_100000742333 [0,2,0,0,0,0|1,0,0]=3 13442 B14R0.152 CCCCC(C)COCCCC(=O)OC 7a_100011995851_100011218270 [0,2,0,0,0,0|1,0,0]=3 13443 B14R0.152 CCCCC(C)NCCCCC(=O)OC 2230a_100000126638_100000204269 [0,2,0,0,0,0|1,0,0]=3 13444 B14R0.152 CCCCC(C)NCCOCC(=O)OC 2230a_100000126638_100000090808 [0,2,0,0,0,0|2,0,0]=4 13445 B14R0.152 CCCCC(C)OCCCCC(=O)OC 34a_100000059025_200011215066 [0,2,0,0,0,0|1,0,0]=3 13446 B14R0.152 CCCCC(C)OCCCCC(=O)OC 34a_100000687866_100000204269 [0,2,0,0,0,0|1,0,0]=3 13447 B14R0.152 CCCCC(C)OCCCCC(=O)OC 7a_100000059025_200011215066 [0,2,0,0,0,0|1,0,0]=3 13448 B14R0.152 CCCCC(C)OCCCCC(=O)OC 7a_100000687866_100000204269 [0,2,0,0,0,0|1,0,0]=3 13449 B14R0.152 CCCCC(C)OCCOCC(=O)OC 34a_100000687866_100000090808 [0,2,0,0,0,0|2,0,0]=4 13450 B14R0.152 CCCCC(C)OCCOCC(=O)OC 7a_100000687866_100000090808 [0,2,0,0,0,0|2,0,0]=4 13451 B14R0.152 CCCCC(C)SCCCCC(=O)OC 62a_100000204269_200011215066 [0,2,0,0,0,0|1,0,0]=3 13452 B14R0.152 CCCCC(C)SCCCCC(=O)OC 62a_200011215066_100000204269 [0,2,0,0,0,0|1,0,0]=3 13453 B14R0.152 CCCCC(C)SCCOCC(=O)OC 62a_100000090808_200011215066 [0,2,0,0,0,0|2,0,0]=4 13454 B14R0.152 CCCCC(C)SCCOCC(=O)OC 62a_200011215066_100000090808 [0,2,0,0,0,0|2,0,0]=4 13455 B14R0.152 CCCCN(C)CCCCCC(=O)OC 2230a_100000207549_100009816466 [0,2,0,0,0,0|1,0,0]=3 13456 B14R0.152 CCCCN(C)CCCCCC(=O)OC 269982a_100000207549_100009816466 [0,2,0,0,0,0|1,0,0]=3 13457 B14R0.152 CCCC[C@H](N)COCCCC(=O)NC 34a_100011934283_100000741757 [0,2,0,0,0,0|2,0,0]=4 13458 B14R0.152 CCCC[C@H](N)COCCCC(=O)OC 34a_100011934283_100000742333 [0,2,0,0,0,0|1,0,0]=3 13459 B14R0.152 CCCNC(=O)CCCCCC(=O)OC 11a_100020643023_100009848860 [0,2,0,0,0,0|1,0,1]=4 13460 B14R0.152 CCCNC(=O)CCCCCC(=O)OC 1626a_100020643023_100009848860 [0,2,0,0,0,0|1,0,1]=4 13461 B14R0.152 CCCNC(=O)CCCCCC(=O)OC 240690a_100020643023_100009848860 [0,2,0,0,0,0|1,0,1]=4 13462 B14R0.152 CCCOC(C)CNCCCC(=O)OC 2230a_100015185124_100011218270 [0,2,0,0,0,0|2,0,0]=4 13463 B14R0.152 CCCOC(C)CNCCCC(=O)OC 34a_100015185124_100000742333 [0,2,0,0,0,0|2,0,0]=4 13464 B14R0.152 CCOCC(=O)CCCCCC(=O)OC 1458a_100000211967_100009816466 [0,2,0,0,0,0|1,0,1]=4 13465 B14R0.152 CCOCC(C)OCCCCC(=O)OC 34a_100000718985_100000204269 [0,2,0,0,0,0|2,0,0]=4 13466 B14R0.152 CCOCC(C)OCCCCC(=O)OC 7a_100000718985_100000204269 [0,2,0,0,0,0|2,0,0]=4 13467 B14R0.152 CCOCC(O)CNCCCC(=O)OC 2230a_102515437182_100011218270 [0,2,0,0,0,0|2,0,0]=4 13468 B14R0.152 CCOCC(O)CNCCCC(=O)OC 34a_102515437182_100000742333 [0,2,0,0,0,0|2,0,0]=4 13469 B14R0.152 CCSCC(=O)CCCCCC(=O)OC 1458a_100000230394_100009816466 [0,2,0,0,0,0|1,0,1]=4 13470 B14R0.152 COC(=O)CCCCCC(=O)CCCF 1458a_100009848860_100011934791 [0,2,0,0,0,0|1,0,1]=4 13471 B14R0.152 COC(=O)CCCCCC(=O)CCCO 1458a_100009848860_100011215043 [0,2,0,0,0,0|1,0,1]=4 13472 B14R0.152 COC(=O)CCCCCC(=O)CCSC 1458a_100000174002_100009816466 [0,2,0,0,0,0|1,0,1]=4 13473 B14R0.152 COC(=O)CCCCCC(=O)CCSC 1458a_100009848860_100000751147 [0,2,0,0,0,0|1,0,1]=4 13474 B14R0.152 COC(=O)CCCCCN(C)CCCO 2230a_100000213112_100009816466 [0,2,0,0,0,0|2,0,0]=4 13475 B14R0.152 COC(=O)CCCCCN(C)CCCO 269982a_100000213112_100009816466 [0,2,0,0,0,0|2,0,0]=4 13476 B14R0.152 COC(=O)CCCCCN(C)CCSC 2230a_100000686725_100009816466 [0,2,0,0,0,0|2,0,0]=4 13477 B14R0.152 COC(=O)CCCCCN(C)CCSC 269982a_100000686725_100009816466 [0,2,0,0,0,0|2,0,0]=4 13478 B14R0.152 COC(=O)CCCCOC(C)CCCCl 34a_200000718107_100000204269 [0,2,0,0,0,0|2,0,0]=4 13479 B14R0.152 COC(=O)CCCCOC(C)CCCCl 7a_200000718107_100000204269 [0,2,0,0,0,0|2,0,0]=4 13480 B14R0.152 COC(=O)CCCNC[C@H](C)CCCO 2230a_100160569302_100011218270 [0,2,0,0,0,0|2,0,0]=4 13481 B14R0.152 COC(=O)CCCNC[C@H](C)CCCO 34a_100160569302_100000742333 [0,2,0,0,0,0|2,0,0]=4 13482 B14R0.152 COC(=O)CCCOC[C@@H](N)CCSC 34a_100011827619_100000742333 [0,2,0,0,0,0|2,0,0]=4 13483 B14R0.152 COCCC(=O)CCCCCC(=O)OC 1458a_100000749529_100009816466 [0,2,0,0,0,0|1,0,1]=4 13484 B14R0.152 COCCC(=O)CCCCCC(=O)OC 1458a_100009848860_100000233755 [0,2,0,0,0,0|1,0,1]=4 13485 B14R0.152 COCCN(C)CCCCCC(=O)OC 2230a_100000743101_100009816466 [0,2,0,0,0,0|2,0,0]=4 13486 B14R0.152 COCCN(C)CCCCCC(=O)OC 269982a_100000743101_100009816466 [0,2,0,0,0,0|2,0,0]=4 13487 B14R0.358 C#CC(CCCC)OCCCCC(=O)C 34a_200011217967_100009817362 [0,2,0,0,0,0|2,0,0]=4 13488 B14R0.358 C#CC(CCCC)OCCCCC(=O)C 7a_200011217967_100000735457 [0,2,0,0,0,0|2,0,0]=4 13489 B14R0.358 C=CC(CCCC)OCCCCC(=O)C 34a_200011215037_100009817362 [0,2,0,0,0,0|2,0,0]=4 13490 B14R0.358 C=CC(CCCC)OCCCCC(=O)C 7a_200011215037_100000735457 [0,2,0,0,0,0|2,0,0]=4 13491 B14R0.358 CCCCC(CC)CNCCCC(=O)N 269862a_100000739312_100011219736 [0,2,0,0,0,0|2,0,0]=4 13492 B14R0.358 CCCCC(CC)CNCCCC(=O)N 34a_100000739312_100000211942 [0,2,0,0,0,0|2,0,0]=4 13493 B14R0.358 CCCCC(CC)COCCCC(=O)C 34a_100000210273_100000685027 [0,2,0,0,0,0|2,0,0]=4 13494 B14R0.358 CCCCC(CC)COCCCC(=O)C 34a_100000759063_100000211942 [0,2,0,0,0,0|2,0,0]=4 13495 B14R0.358 CCCCC(CC)COCCCC(=O)C 7a_100000210273_100011215641 [0,2,0,0,0,0|2,0,0]=4 13496 B14R0.358 CCCCC(CC)COCCCC(=O)C 7a_100000759063_100000211942 [0,2,0,0,0,0|2,0,0]=4 13497 B14R0.358 CCCCC(CC)COCCCC(=O)N 34a_100000210273_100102525003 [0,2,0,0,0,0|2,0,0]=4 13498 B14R0.358 CCCCC(CC)COCCCC(=O)N 7a_100000210273_100102525003 [0,2,0,0,0,0|2,0,0]=4 13499 B14R0.358 CCCCC(CC)CSCCCC(=O)C 62a_100000211942_100011215641 [0,2,0,0,0,0|2,0,0]=4 13500 B14R0.358 CCCCC(CC)CSCCCC(=O)C 62a_100011215641_100000211942 [0,2,0,0,0,0|2,0,0]=4 13501 B14R0.358 CCCCC(CC)CSCCCC(=O)N 62a_100000211942_100102525003 [0,2,0,0,0,0|2,0,0]=4 13502 B14R0.358 CCCCC(CC)CSCCCC(=O)N 62a_100102525003_100000211942 [0,2,0,0,0,0|2,0,0]=4 13503 B14R0.358 CCCCC(CC)NCCCCC(=O)N 270004a_100000696515_100000753412 [0,2,0,0,0,0|2,0,0]=4 13504 B14R0.358 CCCCC(CC)NCCCCC(=O)N 34a_100000696515_200011216223 [0,2,0,0,0,0|2,0,0]=4 13505 B14R0.358 CCCCC(CC)NCCOCC(=O)O 269956a_100000700818_200011216223 [0,2,0,0,0,0|2,0,0]=4 13506 B14R0.358 CCCCC(CC)OCCCCC(=O)C 34a_100011215227_100009817362 [0,2,0,0,0,0|2,0,0]=4 13507 B14R0.358 CCCCC(CC)OCCCCC(=O)C 7a_100011215227_100000735457 [0,2,0,0,0,0|2,0,0]=4 13508 B14R0.358 CCCCC(CC)OCCCCC(=O)N 34a_100012022536_200011216223 [0,2,0,0,0,0|2,0,0]=4 13509 B14R0.358 CCCCC(CC)OCCCCC(=O)N 7a_100012022536_200011216223 [0,2,0,0,0,0|2,0,0]=4 13510 B14R0.358 CCCCC(CC)SCCCCC(=O)C 62a_100000735457_200011216223 [0,2,0,0,0,0|2,0,0]=4 13511 B14R0.358 CCCCC(CC)SCCCCC(=O)C 62a_200011216223_100000735457 [0,2,0,0,0,0|2,0,0]=4 13512 B14R0.358 CCCCN(CC)CCCCCC(=O)N 2230a_100000207695_100009817443 [0,2,0,0,0,0|2,0,0]=4 13513 B14R0.358 CCCCN(CC)CCCCCC(=O)N 269982a_100000207695_100009817443 [0,2,0,0,0,0|2,0,0]=4 13514 B14R0.358 CCCC[C@@H](CO)NCCCCC(=O)C 34a_100011934283_100009817362 [0,2,0,0,0,0|2,0,0]=4 13515 B14R0.551 CC(=O)CCCCOC(C)CCC(C)C 34a_100011215350_100009817362 [0,2,0,0,0,0|2,0,0]=4 13516 B14R0.551 CC(=O)CCCCOC(C)CCC(C)C 7a_100011215350_100000735457 [0,2,0,0,0,0|2,0,0]=4 13517 B14R0.551 CC(=O)CCCCSC(C)CCC(C)C 62a_100000735457_100011261404 [0,2,0,0,0,0|2,0,0]=4 13518 B14R0.551 CC(=O)CCCCSC(C)CCC(C)C 62a_100011261404_100000735457 [0,2,0,0,0,0|2,0,0]=4 13519 B14R0.551 CC(C)CCC(=O)CCCCCC(=O)N 1458a_100000181311_100009817443 [0,2,0,0,0,0|1,0,1]=4 13520 B14R0.551 CC(C)CCC(C)NCCCCC(=O)N 270004a_100000696515_100000210476 [0,2,0,0,0,0|2,0,0]=4 13521 B14R0.551 CC(C)CCC(C)NCCCCC(=O)N 34a_100000696515_100011261404 [0,2,0,0,0,0|2,0,0]=4 13522 B14R0.551 CC(C)CCC(C)NCCOCC(=O)O 269956a_100000700818_100011261404 [0,2,0,0,0,0|2,0,0]=4 13523 B14R0.551 CC(C)CCC(C)OCCCCC(=O)N 34a_100012022536_100011261404 [0,2,0,0,0,0|2,0,0]=4 13524 B14R0.551 CC(C)CCCCCC(=O)CCC(=O)N 1458a_100011215257_100000210682 [0,2,0,0,0,0|1,0,1]=4 13525 B14R0.551 CC(C)CCCCCN(C)CCC(=O)N 2230a_100000730477_100000210682 [0,2,0,0,0,0|2,0,0]=4 13526 B14R0.551 CC(C)CCN(C)CCCCCC(=O)N 2230a_100000742789_100009817443 [0,2,0,0,0,0|2,0,0]=4 13527 B14R0.551 CC(C)CCN(C)CCCCCC(=O)N 269982a_100000742789_100009817443 [0,2,0,0,0,0|2,0,0]=4 13528 B14R0.573 CCCCC(C)(C)COCCCC(=O)C 7a_200011995781_100011215641 [0,2,0,0,0,0|2,0,0]=4 13529 B14R0.573 CCCCC(C)(C)COCCCC(=O)N 7a_200011995781_100102525003 [0,2,0,0,0,0|2,0,0]=4 13530 B14R0.573 CCCCC(C)(C)OCCCCC(=O)C 7a_100011219641_100000735457 [0,2,0,0,0,0|2,0,0]=4 13531 B14R0.82 CCCCCCCCC(=O)CC(=O)CC 1458a_100000210188_100000747405 [0,2,0,0,0,0|1,0,1]=4 13532 B14R0.82 CCCCCCCCC(=O)CC(=O)NC 1458a_100000210188_100000183359 [0,2,0,0,0,0|1,0,1]=4 13533 B14R0.82 CCCCCCCCC(=O)CC(=O)OC 1458a_100000210188_100000747449 [0,2,0,0,0,0|0,0,1]=3 13534 B14R0.82 CCCCCCCCC(=O)CC(=O)OC 1458a_100000211351_100000210759 [0,2,0,0,0,0|0,0,1]=3 13535 B14R0.82 CCCCCCCCN(C)CC(=O)CC 269982a_100000207567_100000747405 [0,2,0,0,0,0|2,0,0]=4 13536 B14R0.82 CCCCCCCCN(C)CC(=O)NC 2230a_100000189611_100000210759 [0,2,0,0,0,0|2,0,0]=4 13537 B14R0.82 CCCCCCCCN(C)CC(=O)NC 2230a_100000207567_100000183359 [0,2,0,0,0,0|2,0,0]=4 13538 B14R0.82 CCCCCCCCN(C)CC(=O)NC 269982a_100000207567_100000183359 [0,2,0,0,0,0|2,0,0]=4 13539 B14R0.82 CCCCCCCCN(C)CC(=O)OC 2230a_100000198492_100000210759 [0,2,0,0,0,0|1,0,0]=3 13540 B14R0.82 CCCCCCCCN(C)CC(=O)OC 2230a_100000207567_100000747449 [0,2,0,0,0,0|1,0,0]=3 13541 B14R0.82 CCCCCCCCN(C)CC(=O)OC 269982a_100000207567_100000747449 [0,2,0,0,0,0|1,0,0]=3 13542 B14R0.82 CCCCCCCNC(=O)CC(=O)OC 240690a_100000229938_100000211351 [0,2,0,0,0,0|1,0,1]=4 13543 B14R0.82 CCCCCCCNC(C)CC(=O)OC 2230a_100000229938_100009817358 [0,2,0,0,0,0|1,0,0]=3 13544 B14R0.82 CCCCCCCOC(C)CC(=O)OC 34a_100000210272_100009817358 [0,2,0,0,0,0|1,0,0]=3 13545 B14R0.82 CCCCCCCOC(C)CC(=O)OC 7a_100000210272_100009817358 [0,2,0,0,0,0|1,0,0]=3 13546 B14R0.82 CCCCCCCSC(C)CC(=O)OC 62a_100000210614_100009817358 [0,2,0,0,0,0|1,0,0]=3 13547 B14R0.82 CCCCCCCSC(C)CC(=O)OC 62a_100009817358_100000210316 [0,2,0,0,0,0|1,0,0]=3 13548 B14R0.82 CCCCCCOC[C@H](O)CC(=O)OC 34a_100000210259_100000754131 [0,2,0,0,0,0|1,0,0]=3 13549 B14R0.82 CCCCCCOC[C@H](O)CC(=O)OC 7a_100000210259_100000754131 [0,2,0,0,0,0|1,0,0]=3 13550 B14R0.82 CCCCCCSCC(=O)CC(=O)OC 62a_100000210314_100000210525 [0,2,0,0,0,0|1,0,1]=4 13551 B14R0.82 CCCCCCSCC(=O)CC(=O)OC 62a_100000210525_100000210757 [0,2,0,0,0,0|1,0,1]=4 13552 B14R0.82 CCCCCCSC[C@H](O)CC(=O)OC 62a_100000210314_100000754131 [0,2,0,0,0,0|1,0,0]=3 13553 B14R0.82 CCCCCCSC[C@H](O)CC(=O)OC 62a_100000754131_100000210757 [0,2,0,0,0,0|1,0,0]=3 13554 B14R0.82 CCCCOCCOC(C)CC(=O)OC 34a_100000210238_100009817358 [0,2,0,0,0,0|2,0,0]=4 13555 B14R0.82 CCCCOCCOC(C)CC(=O)OC 7a_100000210238_100009817358 [0,2,0,0,0,0|2,0,0]=4 13556 B14R0.82 CCCCOCCSC(C)CC(=O)OC 62a_100000743108_100009817358 [0,2,0,0,0,0|2,0,0]=4 13557 B14R0.82 CCCCOCCSC(C)CC(=O)OC 62a_100009817358_100000743108 [0,2,0,0,0,0|2,0,0]=4 13558 B14R0.82 CCCCOCSC[C@H](O)CC(=O)OC 62a_100000754131_100011995733 [0,2,0,0,0,0|2,0,0]=4 13559 B14R0.82 CCCCOCSC[C@H](O)CC(=O)OC 62a_100011995733_100000754131 [0,2,0,0,0,0|2,0,0]=4 13560 B14R0.82 CCCCSCCNC(C)CC(=O)OC 2230a_100025743550_100009817358 [0,2,0,0,0,0|2,0,0]=4 13561 B14R0.82 CCCCSCCOC(C)CC(=O)OC 34a_200000230436_100009817358 [0,2,0,0,0,0|2,0,0]=4 13562 B14R0.82 CCCCSCCOC(C)CC(=O)OC 7a_200000230436_100009817358 [0,2,0,0,0,0|2,0,0]=4 13563 B14R0.82 CCCOCCCNC(C)CC(=O)OC 2230a_100011217757_100009817358 [0,2,0,0,0,0|2,0,0]=4 13564 B14R0.82 CCCOCCCNC(C)CC(=O)OC 34a_100011217757_100009817358 [0,2,0,0,0,0|2,0,0]=4 13565 B14R0.82 CCCOCCNC[C@H](O)CC(=O)OC 34a_100161115042_100000754131 [0,2,0,0,0,0|2,0,0]=4 13566 B14R0.82 CCCOCCOC[C@H](O)CC(=O)OC 34a_100000752267_100000754131 [0,2,0,0,0,0|2,0,0]=4 13567 B14R0.82 CCCOCCOC[C@H](O)CC(=O)OC 7a_100000752267_100000754131 [0,2,0,0,0,0|2,0,0]=4 13568 B14R0.82 CCCOCCSC[C@H](O)CC(=O)OC 62a_100000754131_100011215938 [0,2,0,0,0,0|2,0,0]=4 13569 B14R0.82 CCCOCCSC[C@H](O)CC(=O)OC 62a_100011215938_100000754131 [0,2,0,0,0,0|2,0,0]=4 13570 B14R0.82 CCCSCCOC[C@H](O)CC(=O)OC 34a_200000230433_100000754131 [0,2,0,0,0,0|2,0,0]=4 13571 B14R0.82 CCCSCCOC[C@H](O)CC(=O)OC 7a_200000230433_100000754131 [0,2,0,0,0,0|2,0,0]=4 13572 B14R0.82 CCOCCCNC[C@H](O)CC(=O)OC 34a_100000210961_100000754131 [0,2,0,0,0,0|2,0,0]=4 13573 B14R0.82 CCOCCCOC[C@H](O)CC(=O)OC 34a_100000757476_100000754131 [0,2,0,0,0,0|2,0,0]=4 13574 B14R0.82 CCOCCCOC[C@H](O)CC(=O)OC 7a_100000757476_100000754131 [0,2,0,0,0,0|2,0,0]=4 13575 B14R0.82 CCOCCCSC[C@H](O)CC(=O)OC 62a_100000754131_100012232248 [0,2,0,0,0,0|2,0,0]=4 13576 B14R0.82 CCOCCCSC[C@H](O)CC(=O)OC 62a_100012232248_100000754131 [0,2,0,0,0,0|2,0,0]=4 13577 B14R0.82 CCSCCCOC[C@H](O)CC(=O)OC 34a_100011216438_100000754131 [0,2,0,0,0,0|2,0,0]=4 13578 B14R0.82 CCSCCCOC[C@H](O)CC(=O)OC 7a_100011216438_100000754131 [0,2,0,0,0,0|2,0,0]=4 13579 B14R0.82 CNCCCCCOC(C)CC(=O)OC 34a_100000722520_100009817358 [0,2,0,0,0,0|2,0,0]=4 13580 B14R0.82 COC(=O)CC(=O)CCCCCCCO 1458a_100000211351_100000760002 [0,2,0,0,0,0|1,0,1]=4 13581 B14R0.82 COC(=O)CC(=O)CCCCCCCO 1458a_100011219782_100000747449 [0,2,0,0,0,0|1,0,1]=4 13582 B14R0.82 COC(=O)CC(C)NCCCCCCO 2230a_100000686447_100009817358 [0,2,0,0,0,0|2,0,0]=4 13583 B14R0.82 COC(=O)CC(C)NCCCCCCO 34a_100000686447_100009817358 [0,2,0,0,0,0|2,0,0]=4 13584 B14R0.82 COC(=O)CC(C)OCCCCCCBr 34a_100011215345_100009817358 [0,2,0,0,0,0|2,0,0]=4 13585 B14R0.82 COC(=O)CC(C)OCCCCCCBr 7a_100011215345_100009817358 [0,2,0,0,0,0|2,0,0]=4 13586 B14R0.82 COC(=O)CC(C)OCCCCCCCl 34a_100000766143_100009817358 [0,2,0,0,0,0|2,0,0]=4 13587 B14R0.82 COC(=O)CC(C)OCCCCCCCl 7a_100000766143_100009817358 [0,2,0,0,0,0|2,0,0]=4 13588 B14R0.82 COC(=O)CC(C)OCCCCCCF 34a_100000732779_100009817358 [0,2,0,0,0,0|2,0,0]=4 13589 B14R0.82 COC(=O)CC(C)OCCCCCCF 7a_100000732779_100009817358 [0,2,0,0,0,0|2,0,0]=4 13590 B14R0.82 COC(=O)CC(C)OCCCCCCN 34a_100000686447_100009817358 [0,2,0,0,0,0|2,0,0]=4 13591 B14R0.82 COC(=O)CC(C)SCCCCCCF 62a_100009817358_100015922095 [0,2,0,0,0,0|2,0,0]=4 13592 B14R0.82 COC(=O)CC(C)SCCCCCCF 62a_100015922095_100009817358 [0,2,0,0,0,0|2,0,0]=4 13593 B14R0.82 COC(=O)CC(C)SCCCCCCO 62a_100000766143_100009817358 [0,2,0,0,0,0|2,0,0]=4 13594 B14R0.82 COC(=O)CC(C)SCCCCCCO 62a_100009817358_100000766143 [0,2,0,0,0,0|2,0,0]=4 13595 B14R0.82 COC(=O)CN(C)CCCCCCCO 2230a_100000198492_100000760002 [0,2,0,0,0,0|2,0,0]=4 13596 B14R0.82 COC(=O)C[C@@H](O)CNCCCCCO 34a_100000762737_100000754131 [0,2,0,0,0,0|2,0,0]=4 13597 B14R0.82 COC(=O)C[C@@H](O)COCCCCCBr 34a_100000746331_100000754131 [0,2,0,0,0,0|2,0,0]=4 13598 B14R0.82 COC(=O)C[C@@H](O)COCCCCCBr 7a_100000746331_100000754131 [0,2,0,0,0,0|2,0,0]=4 13599 B14R0.82 COC(=O)C[C@@H](O)COCCCCCCl 34a_100000746330_100000754131 [0,2,0,0,0,0|2,0,0]=4 13600 B14R0.82 COC(=O)C[C@@H](O)COCCCCCCl 7a_100000746330_100000754131 [0,2,0,0,0,0|2,0,0]=4 13601 B14R0.82 COC(=O)C[C@@H](O)COCCCCCI 34a_200012148887_100000754131 [0,2,0,0,0,0|2,0,0]=4 13602 B14R0.82 COC(=O)C[C@@H](O)COCCCCCI 7a_200012148887_100000754131 [0,2,0,0,0,0|2,0,0]=4 13603 B14R0.82 COC(=O)C[C@@H](O)COCCCCCN 34a_100000762737_100000754131 [0,2,0,0,0,0|2,0,0]=4 13604 B14R0.82 COC(=O)C[C@@H](O)COCCCCSC 34a_100011217163_100000754131 [0,2,0,0,0,0|2,0,0]=4 13605 B14R0.82 COC(=O)C[C@@H](O)COCCCCSC 7a_100011217163_100000754131 [0,2,0,0,0,0|2,0,0]=4 13606 B14R0.82 COC(=O)C[C@@H](O)CSCCCCCF 62a_100000729378_100000754131 [0,2,0,0,0,0|2,0,0]=4 13607 B14R0.82 COC(=O)C[C@@H](O)CSCCCCCF 62a_100000754131_100000729378 [0,2,0,0,0,0|2,0,0]=4 13608 B14R0.82 COC(=O)C[C@@H](O)CSCCCCCO 62a_100000746330_100000754131 [0,2,0,0,0,0|2,0,0]=4 13609 B14R0.82 COC(=O)C[C@@H](O)CSCCCCCO 62a_100000754131_100000746330 [0,2,0,0,0,0|2,0,0]=4 13610 B14R0.82 COCCCCCCC(=O)CC(=O)OC 1458a_100000211351_100011998445 [0,2,0,0,0,0|1,0,1]=4 13611 B14R0.82 COCCCCCCN(C)CC(=O)OC 2230a_100000198492_100011998445 [0,2,0,0,0,0|2,0,0]=4 13612 B14R0.82 COCCCCCNC(C)CC(=O)OC 2230a_100000747528_100009817358 [0,2,0,0,0,0|2,0,0]=4 13613 B14R0.82 COCCCCCNC(C)CC(=O)OC 34a_100000747528_100009817358 [0,2,0,0,0,0|2,0,0]=4 13614 B14R0.82 COCCCCOC[C@H](O)CC(=O)OC 34a_100000740925_100000754131 [0,2,0,0,0,0|2,0,0]=4 13615 B14R0.82 COCCCCSC[C@H](O)CC(=O)OC 62a_100000730899_100000754131 [0,2,0,0,0,0|2,0,0]=4 13616 B14R0.82 COCCCCSC[C@H](O)CC(=O)OC 62a_100000754131_100000730899 [0,2,0,0,0,0|2,0,0]=4 13617 B14R0.140 CCCCCCCC(=O)CCC(=O)NC 1458a_100011309844_100000210614 [0,2,0,0,0,0|1,0,1]=4 13618 B14R0.140 CCCCCCCC(=O)CCC(=O)OC 1458a_100000187943_100000210614 [0,2,0,0,0,0|0,0,1]=3 13619 B14R0.140 CCCCCCCC(=O)CNC(=O)OC 1458a_100000215747_100000210614 [0,2,0,0,0,0|1,0,1]=4 13620 B14R0.140 CCCCCCCC(=O)NCC(=O)OC 188690a_100000185156_100000211969 [0,2,0,0,0,0|1,0,1]=4 13621 B14R0.140 CCCCCCCC(=O)OCC(=O)CO 1458a_100000210174_100009852258 [0,2,0,0,0,0|1,0,1]=4 13622 B14R0.140 CCCCCCCC(C)NCC(=O)NC 2230a_100000693194_200011218727 [0,2,0,0,0,0|2,0,0]=4 13623 B14R0.140 CCCCCCCC(C)NCC(=O)NC 270004a_100000693194_100000210596 [0,2,0,0,0,0|2,0,0]=4 13624 B14R0.140 CCCCCCCC(C)OCC(=O)CC 34a_100000725409_200011218727 [0,2,0,0,0,0|2,0,0]=4 13625 B14R0.140 CCCCCCCC(C)OCC(=O)CC 7a_200011215852_100000747405 [0,2,0,0,0,0|2,0,0]=4 13626 B14R0.140 CCCCCCCC(C)OCC(=O)NC 34a_100000750040_200011218727 [0,2,0,0,0,0|2,0,0]=4 13627 B14R0.140 CCCCCCCC(C)OCC(=O)NC 34a_200011215852_100000183359 [0,2,0,0,0,0|2,0,0]=4 13628 B14R0.140 CCCCCCCC(C)OCC(=O)NC 7a_200011215852_100000183359 [0,2,0,0,0,0|2,0,0]=4 13629 B14R0.140 CCCCCCCC(C)OCC(=O)OC 34a_200011215852_100000747449 [0,2,0,0,0,0|1,0,0]=3 13630 B14R0.140 CCCCCCCC(C)OCC(=O)OC 7a_200011215852_100000747449 [0,2,0,0,0,0|1,0,0]=3 13631 B14R0.140 CCCCCCCC(C)SCC(=O)CC 62a_100000747405_200011218727 [0,2,0,0,0,0|2,0,0]=4 13632 B14R0.140 CCCCCCCC(C)SCC(=O)CC 62a_200011218727_100000747405 [0,2,0,0,0,0|2,0,0]=4 13633 B14R0.140 CCCCCCCC(C)SCC(=O)NC 62a_100000183359_200011218727 [0,2,0,0,0,0|2,0,0]=4 13634 B14R0.140 CCCCCCCC(C)SCC(=O)NC 62a_200011218727_100000183359 [0,2,0,0,0,0|2,0,0]=4 13635 B14R0.140 CCCCCCCC(C)SCC(=O)OC 62a_100000747449_200011218727 [0,2,0,0,0,0|1,0,0]=3 13636 B14R0.140 CCCCCCCC(C)SCC(=O)OC 62a_200011218727_100000747449 [0,2,0,0,0,0|1,0,0]=3 13637 B14R0.140 CCCCCCCN(C)CCC(=O)NC 2230a_100000228206_100000737683 [0,2,0,0,0,0|2,0,0]=4 13638 B14R0.140 CCCCCCCN(C)CCC(=O)NC 2230a_100000750875_100000210681 [0,2,0,0,0,0|2,0,0]=4 13639 B14R0.140 CCCCCCCN(C)CCC(=O)NC 269982a_100000228206_100000737683 [0,2,0,0,0,0|2,0,0]=4 13640 B14R0.140 CCCCCCCN(C)CCC(=O)NC 269982a_100000750875_100000210681 [0,2,0,0,0,0|2,0,0]=4 13641 B14R0.140 CCCCCCCN(C)CCC(=O)OC 2230a_100000228206_100000204255 [0,2,0,0,0,0|1,0,0]=3 13642 B14R0.140 CCCCCCCN(C)CCC(=O)OC 269982a_100000228206_100000204255 [0,2,0,0,0,0|1,0,0]=3 13643 B14R0.140 CCCCCCCN(C)CCC(=O)OC 269982a_100025711912_100000210681 [0,2,0,0,0,0|1,0,0]=3 13644 B14R0.140 CCCCCCNC(=O)CCC(=O)OC 11a_100000210581_100000187943 [0,2,0,0,0,0|1,0,1]=4 13645 B14R0.140 CCCCCCNC(=O)CCC(=O)OC 1626a_100000210581_100000187943 [0,2,0,0,0,0|1,0,1]=4 13646 B14R0.140 CCCCCCNC(=O)CCC(=O)OC 240690a_100000210581_100000187943 [0,2,0,0,0,0|1,0,1]=4 13647 B14R0.140 CCCCCCNC(=O)CCC(=O)OC 527a_100000210581_100000187943 [0,2,0,0,0,0|1,0,1]=4 13648 B14R0.140 CCCCCNCC(=O)CCC(=O)OC 2230a_100000209983_100000691467 [0,2,0,0,0,0|1,0,1]=4 13649 B14R0.140 CCCCCOCC(=O)CCC(=O)OC 34a_100000210253_100000691467 [0,2,0,0,0,0|1,0,1]=4 13650 B14R0.140 CCCCCOCC(=O)CCC(=O)OC 7a_100000210253_100000691467 [0,2,0,0,0,0|1,0,1]=4 13651 B14R0.140 CCCCCSCC(=O)CCC(=O)OC 62a_100000210326_100000691467 [0,2,0,0,0,0|1,0,1]=4 13652 B14R0.140 CCCCCSCC(=O)CCC(=O)OC 62a_100000691467_100000210326 [0,2,0,0,0,0|1,0,1]=4 13653 B14R0.140 CCCCOCCC(=O)CCC(=O)OC 1458a_100000187943_100000743108 [0,2,0,0,0,0|1,0,1]=4 13654 B14R0.140 CCCCOCCN(C)CCC(=O)OC 269982a_100025711912_100000743108 [0,2,0,0,0,0|2,0,0]=4 13655 B14R0.140 COC(=O)CCC(=O)CCCCCCF 1458a_100000187943_100015922095 [0,2,0,0,0,0|1,0,1]=4 13656 B14R0.140 COC(=O)CCC(=O)CCCCCCO 1458a_100000187943_100000766143 [0,2,0,0,0,0|1,0,1]=4 13657 B14R0.140 COC(=O)CCN(C)CCCCCCF 269982a_100025711912_100015922095 [0,2,0,0,0,0|2,0,0]=4 13658 B14R0.140 COC(=O)CCN(C)CCCCCCO 269982a_100025711912_100000766143 [0,2,0,0,0,0|2,0,0]=4 13659 B14R0.181 C=C(COCCCCCCC)C(=O)OC 34a_100000210272_100009813391 [0,2,0,0,0,0|1,0,1]=4 13660 B14R0.181 C=C(CSCCCCCCC)C(=O)OC 62a_100000210614_100009813391 [0,2,0,0,0,0|1,0,1]=4 13661 B14R0.181 C=C(CSCCCCCCC)C(=O)OC 62a_100009813391_100000210316 [0,2,0,0,0,0|1,0,1]=4 13662 B14R0.181 C=CC(=O)N(C)CCCCCCCCC 1626a_100000232482_100000185746 [0,2,0,0,0,0|2,0,0]=4 13663 B14R0.181 C=CC(=O)N(C)CCCCCCCCC 240690a_100000232482_200121576911 [0,2,0,0,0,0|2,0,0]=4 13664 B14R0.181 CCCCCCCCCC(=O)C(=O)NC 1458a_100011218921_100000210670 [0,2,0,0,0,0|1,0,1]=4 13665 B14R0.181 CCCCCCCCCN(C)C(=O)CC 11a_100000232482_100000210414 [0,2,0,0,0,0|2,0,0]=4 13666 B14R0.181 CCCCCCCCCN(C)C(=O)CC 1626a_100000232482_100000210414 [0,2,0,0,0,0|2,0,0]=4 13667 B14R0.181 CCCCCCCCCN(C)C(=O)CC 240690a_100000232482_100000210414 [0,2,0,0,0,0|2,0,0]=4 13668 B14R0.181 CCCCCCCCCN(C)C(=O)CC 527a_100000232482_100000210414 [0,2,0,0,0,0|2,0,0]=4 13669 B14R0.181 CCCCCCCCCN(C)C(=O)CO 240690a_100000232482_100000210174 [0,2,0,0,0,0|1,0,0]=3 13670 B14R0.181 CCCCCCCCCN(C)C(=O)CO 527a_100000232482_100000210174 [0,2,0,0,0,0|1,0,0]=3 13671 B14R0.181 CCCCCCCCCN(C)C(=O)NC 2708a_100102657272_100000232482 [0,2,0,0,0,0|2,0,0]=4 13672 B14R0.181 CCCCCCCCCN(C)C(=O)NC 273464a_100102657272_100000232482 [0,2,0,0,0,0|2,0,0]=4 13673 B14R0.181 CCCCCCCCNC(=O)C(=O)OC 11a_100000229939_100000024059 [0,2,0,0,0,0|1,0,1]=4 13674 B14R0.181 CCCCCCCCNC(=O)C(=O)OC 1626a_100000229939_100000024059 [0,2,0,0,0,0|1,0,1]=4 13675 B14R0.181 CCCCCCCCNC(=O)C(=O)OC 240690a_100000229939_100000024059 [0,2,0,0,0,0|1,0,1]=4 13676 B14R0.181 CCCCCCCCNC(=O)C(=O)OC 527a_100000229939_100000024059 [0,2,0,0,0,0|1,0,1]=4 13677 B14R0.181 CCCCCCCCNC(C)C(=O)CC 2230a_100000229939_100000742827 [0,2,0,0,0,0|2,0,0]=4 13678 B14R0.181 CCCCCCCCNC(C)C(=O)NC 2230a_100000229939_100000731044 [0,2,0,0,0,0|2,0,0]=4 13679 B14R0.181 CCCCCCCCNC(C)C(=O)NC 34a_100000229939_100000731044 [0,2,0,0,0,0|2,0,0]=4 13680 B14R0.181 CCCCCCCCNC(C)C(=O)OC 2230a_100000229939_100000211248 [0,2,0,0,0,0|1,0,0]=3 13681 B14R0.181 CCCCCCCCNC(C)C(=O)OC 34a_100000229939_100000211248 [0,2,0,0,0,0|1,0,0]=3 13682 B14R0.181 CCCCCCCCNC(F)C(=O)NC 2230a_100000229939_100009813575 [0,2,0,0,0,0|2,0,0]=4 13683 B14R0.181 CCCCCCCCNC(F)C(=O)NC 34a_100000229939_100009813575 [0,2,0,0,0,0|2,0,0]=4 13684 B14R0.181 CCCCCCCCN[C@H](C)C(=O)NC 2230a_100000684985_100000210759 [0,2,0,0,0,0|2,0,0]=4 13685 B14R0.181 CCCCCCCCN[C@H](C)C(=O)NC 34a_100000684985_100000210759 [0,2,0,0,0,0|2,0,0]=4 13686 B14R0.181 CCCCCCCCOC(C)C(=O)CC 7a_100000210232_100000742827 [0,2,0,0,0,0|2,0,0]=4 13687 B14R0.181 CCCCCCCCOC(C)C(=O)NC 34a_100000210232_100000731044 [0,2,0,0,0,0|2,0,0]=4 13688 B14R0.181 CCCCCCCCOC(C)C(=O)NC 7a_100000210232_100000209862 [0,2,0,0,0,0|2,0,0]=4 13689 B14R0.181 CCCCCCCCOC(C)C(=O)NN 34a_100000725659_100000210759 [0,2,0,0,0,0|2,0,0]=4 13690 B14R0.181 CCCCCCCCOC(C)C(=O)OC 34a_100000210232_100000211248 [0,2,0,0,0,0|1,0,0]=3 13691 B14R0.181 CCCCCCCCOC(C)C(=O)OC 34a_100011215400_100000210759 [0,2,0,0,0,0|1,0,0]=3 13692 B14R0.181 CCCCCCCCOC(C)C(=O)OC 7a_100000210232_100000211248 [0,2,0,0,0,0|1,0,0]=3 13693 B14R0.181 CCCCCCCCOC(F)C(=O)NC 34a_100000210232_100009813575 [0,2,0,0,0,0|2,0,0]=4 13694 B14R0.181 CCCCCCCCOC(F)C(=O)NC 7a_100000210232_100009813575 [0,2,0,0,0,0|2,0,0]=4 13695 B14R0.181 CCCCCCCCSC(C)C(=O)CC 62a_100000210759_100000742827 [0,2,0,0,0,0|2,0,0]=4 13696 B14R0.181 CCCCCCCCSC(C)C(=O)CC 62a_100000742827_100000210317 [0,2,0,0,0,0|2,0,0]=4 13697 B14R0.181 CCCCCCCCSC(C)C(=O)NC 62a_100000209862_100000210317 [0,2,0,0,0,0|2,0,0]=4 13698 B14R0.181 CCCCCCCCSC(C)C(=O)NC 62a_100000210759_100000731044 [0,2,0,0,0,0|2,0,0]=4 13699 B14R0.181 CCCCCCCCSC(C)C(=O)OC 62a_100000210759_100000211248 [0,2,0,0,0,0|1,0,0]=3 13700 B14R0.181 CCCCCCCCSC(C)C(=O)OC 62a_100000211248_100000210317 [0,2,0,0,0,0|1,0,0]=3 13701 B14R0.181 CCCCCCCCSC(F)C(=O)NC 62a_100000210759_100009813575 [0,2,0,0,0,0|2,0,0]=4 13702 B14R0.181 CCCCCCCCSC(F)C(=O)NC 62a_100009813575_100000210317 [0,2,0,0,0,0|2,0,0]=4 13703 B14R0.181 CCCCCCCNCC(C)C(=O)NC 2230a_100015187722_100000210681 [0,2,0,0,0,0|2,0,0]=4 13704 B14R0.181 CCCCCCCNCC(C)C(=O)NC 34a_100015187722_100000210614 [0,2,0,0,0,0|2,0,0]=4 13705 B14R0.181 CCCCCCCOCC(=O)C(=O)OC 34a_100000210272_100011610305 [0,2,0,0,0,0|1,0,1]=4 13706 B14R0.181 CCCCCCCOCC(C)C(=O)OC 34a_100000210272_100000698445 [0,2,0,0,0,0|1,0,0]=3 13707 B14R0.181 CCCCCCCOCC(C)C(=O)OC 34a_100000749362_100000210614 [0,2,0,0,0,0|1,0,0]=3 13708 B14R0.181 CCCCCCCOCC(C)C(=O)OC 7a_100000749362_100000210614 [0,2,0,0,0,0|1,0,0]=3 13709 B14R0.181 CCCCCCCOCC(F)C(=O)OC 34a_200009849844_100000210614 [0,2,0,0,0,0|1,0,0]=3 13710 B14R0.181 CCCCCCCOCC(N)C(=O)NN 34a_100016989258_100000210614 [0,2,0,0,0,0|2,0,0]=4 13711 B14R0.181 CCCCCCCOC[C@@H](N)C(=O)OC 34a_100000003586_100000210614 [0,2,0,0,0,0|1,0,0]=3 13712 B14R0.181 CCCCCCCSCC(=O)C(=O)OC 62a_100000210614_100011610305 [0,2,0,0,0,0|1,0,1]=4 13713 B14R0.181 CCCCCCCSCC(=O)C(=O)OC 62a_100011610305_100000210316 [0,2,0,0,0,0|1,0,1]=4 13714 B14R0.181 CCCCCCCSCC(C)C(=O)OC 62a_100000210614_100000698445 [0,2,0,0,0,0|1,0,0]=3 13715 B14R0.181 CCCCCCCSCC(C)C(=O)OC 62a_100000698445_100000210316 [0,2,0,0,0,0|1,0,0]=3 13716 B14R0.181 CCCCCCNCCC(C)C(=O)OC 2230a_100000210581_100000034942 [0,2,0,0,0,0|1,0,0]=3 13717 B14R0.181 CCCCCCOCCC(C)C(=O)OC 34a_100000210259_100000034942 [0,2,0,0,0,0|1,0,0]=3 13718 B14R0.181 CCCCCCOCCC(C)C(=O)OC 7a_100000210259_100000034942 [0,2,0,0,0,0|1,0,0]=3 13719 B14R0.181 CCCCCCSCCC(C)C(=O)OC 62a_100000034942_100000210757 [0,2,0,0,0,0|1,0,0]=3 13720 B14R0.181 CCCCCCSCCC(C)C(=O)OC 62a_100000210314_100000034942 [0,2,0,0,0,0|1,0,0]=3 13721 B14R0.181 CCCCCNCCOC(C)C(=O)OC 34a_100000224656_100000211248 [0,2,0,0,0,0|2,0,0]=4 13722 B14R0.181 CCCCCOCCOC(C)C(=O)OC 34a_100011215259_100000211248 [0,2,0,0,0,0|2,0,0]=4 13723 B14R0.181 CCCCCOCCOC(C)C(=O)OC 7a_100011215259_100000211248 [0,2,0,0,0,0|2,0,0]=4 13724 B14R0.181 CCCCOCCCNC(C)C(=O)OC 2230a_200000211371_100000211248 [0,2,0,0,0,0|2,0,0]=4 13725 B14R0.181 CCCCOCCCNC(C)C(=O)OC 34a_200000211371_100000211248 [0,2,0,0,0,0|2,0,0]=4 13726 B14R0.181 CCCCOCCCOC(C)C(=O)OC 34a_200011215613_100000211248 [0,2,0,0,0,0|2,0,0]=4 13727 B14R0.181 CCCCOCCCOC(C)C(=O)OC 7a_200011215613_100000211248 [0,2,0,0,0,0|2,0,0]=4 13728 B14R0.181 CCCCOCCOCC(C)C(=O)OC 34a_100000210238_100000698445 [0,2,0,0,0,0|2,0,0]=4 13729 B14R0.181 CCCCOCCOCC(C)C(=O)OC 34a_100000749362_100000743108 [0,2,0,0,0,0|2,0,0]=4 13730 B14R0.181 CCCCOCCOCC(C)C(=O)OC 7a_100000749362_100000743108 [0,2,0,0,0,0|2,0,0]=4 13731 B14R0.181 CCCCOCCOCC(F)C(=O)OC 34a_200009849844_100000743108 [0,2,0,0,0,0|2,0,0]=4 13732 B14R0.181 CCCCOCCOC[C@@H](N)C(=O)OC 34a_100000003586_100000743108 [0,2,0,0,0,0|2,0,0]=4 13733 B14R0.181 CCCCOCCSCC(C)C(=O)OC 62a_100000698445_100000743108 [0,2,0,0,0,0|2,0,0]=4 13734 B14R0.181 CCCCOCCSCC(C)C(=O)OC 62a_100000743108_100000698445 [0,2,0,0,0,0|2,0,0]=4 13735 B14R0.181 CCCCOCSCCC(C)C(=O)OC 62a_100000034942_100011995733 [0,2,0,0,0,0|2,0,0]=4 13736 B14R0.181 CCCCOCSCCC(C)C(=O)OC 62a_100011995733_100000034942 [0,2,0,0,0,0|2,0,0]=4 13737 B14R0.181 CCCCSCCOCC(C)C(=O)OC 34a_200000230436_100000698445 [0,2,0,0,0,0|2,0,0]=4 13738 B14R0.181 CCCOCCCNCC(C)C(=O)OC 34a_100011217757_100000698445 [0,2,0,0,0,0|2,0,0]=4 13739 B14R0.181 CCCOCCNCCC(C)C(=O)OC 2230a_100161115042_100000034942 [0,2,0,0,0,0|2,0,0]=4 13740 B14R0.181 CCCOCCNCCC(C)C(=O)OC 34a_100161115042_100000034942 [0,2,0,0,0,0|2,0,0]=4 13741 B14R0.181 CCCOCCOCCC(C)C(=O)OC 34a_100000752267_100000034942 [0,2,0,0,0,0|2,0,0]=4 13742 B14R0.181 CCCOCCOCCC(C)C(=O)OC 7a_100000752267_100000034942 [0,2,0,0,0,0|2,0,0]=4 13743 B14R0.181 CCCOCCSCCC(C)C(=O)OC 62a_100000034942_100011215938 [0,2,0,0,0,0|2,0,0]=4 13744 B14R0.181 CCCOCCSCCC(C)C(=O)OC 62a_100011215938_100000034942 [0,2,0,0,0,0|2,0,0]=4 13745 B14R0.181 CCCSCCNCCC(C)C(=O)OC 2230a_100020603323_100000034942 [0,2,0,0,0,0|2,0,0]=4 13746 B14R0.181 CCCSCCOCCC(C)C(=O)OC 34a_200000230433_100000034942 [0,2,0,0,0,0|2,0,0]=4 13747 B14R0.181 CCCSCCOCCC(C)C(=O)OC 7a_200000230433_100000034942 [0,2,0,0,0,0|2,0,0]=4 13748 B14R0.181 CCOCCCNCCC(C)C(=O)OC 2230a_100000210961_100000034942 [0,2,0,0,0,0|2,0,0]=4 13749 B14R0.181 CCOCCCNCCC(C)C(=O)OC 34a_100000210961_100000034942 [0,2,0,0,0,0|2,0,0]=4 13750 B14R0.181 CCOCCCOCCC(C)C(=O)OC 34a_100000757476_100000034942 [0,2,0,0,0,0|2,0,0]=4 13751 B14R0.181 CCOCCCOCCC(C)C(=O)OC 7a_100000757476_100000034942 [0,2,0,0,0,0|2,0,0]=4 13752 B14R0.181 CCOCCCSCCC(C)C(=O)OC 62a_100000034942_100012232248 [0,2,0,0,0,0|2,0,0]=4 13753 B14R0.181 CCOCCCSCCC(C)C(=O)OC 62a_100012232248_100000034942 [0,2,0,0,0,0|2,0,0]=4 13754 B14R0.181 CCSCCCOCCC(C)C(=O)OC 34a_100011216438_100000034942 [0,2,0,0,0,0|2,0,0]=4 13755 B14R0.181 CCSCCCOCCC(C)C(=O)OC 7a_100011216438_100000034942 [0,2,0,0,0,0|2,0,0]=4 13756 B14R0.181 CNCCCCCOCC(C)C(=O)OC 34a_100000722520_100000698445 [0,2,0,0,0,0|2,0,0]=4 13757 B14R0.181 COC(=O)C(C)CCNCCCCCO 2230a_100000762737_100000034942 [0,2,0,0,0,0|2,0,0]=4 13758 B14R0.181 COC(=O)C(C)CCNCCCCCO 34a_100000762737_100000034942 [0,2,0,0,0,0|2,0,0]=4 13759 B14R0.181 COC(=O)C(C)CCOCCCCCBr 34a_100000746331_100000034942 [0,2,0,0,0,0|2,0,0]=4 13760 B14R0.181 COC(=O)C(C)CCOCCCCCBr 7a_100000746331_100000034942 [0,2,0,0,0,0|2,0,0]=4 13761 B14R0.181 COC(=O)C(C)CCOCCCCCCl 34a_100000746330_100000034942 [0,2,0,0,0,0|2,0,0]=4 13762 B14R0.181 COC(=O)C(C)CCOCCCCCCl 7a_100000746330_100000034942 [0,2,0,0,0,0|2,0,0]=4 13763 B14R0.181 COC(=O)C(C)CCOCCCCCI 34a_200012148887_100000034942 [0,2,0,0,0,0|2,0,0]=4 13764 B14R0.181 COC(=O)C(C)CCOCCCCCI 7a_200012148887_100000034942 [0,2,0,0,0,0|2,0,0]=4 13765 B14R0.181 COC(=O)C(C)CCOCCCCCN 34a_100000762737_100000034942 [0,2,0,0,0,0|2,0,0]=4 13766 B14R0.181 COC(=O)C(C)CCOCCCCSC 34a_100011217163_100000034942 [0,2,0,0,0,0|2,0,0]=4 13767 B14R0.181 COC(=O)C(C)CCOCCCCSC 7a_100011217163_100000034942 [0,2,0,0,0,0|2,0,0]=4 13768 B14R0.181 COC(=O)C(C)CCSCCCCCF 62a_100000034942_100000729378 [0,2,0,0,0,0|2,0,0]=4 13769 B14R0.181 COC(=O)C(C)CCSCCCCCF 62a_100000729378_100000034942 [0,2,0,0,0,0|2,0,0]=4 13770 B14R0.181 COC(=O)C(C)CCSCCCCCO 62a_100000034942_100000746330 [0,2,0,0,0,0|2,0,0]=4 13771 B14R0.181 COC(=O)C(C)CCSCCCCCO 62a_100000746330_100000034942 [0,2,0,0,0,0|2,0,0]=4 13772 B14R0.181 COC(=O)C(C)CNCCCCCCO 34a_100000686447_100000698445 [0,2,0,0,0,0|2,0,0]=4 13773 B14R0.181 COC(=O)C(C)COCCCCCCBr 34a_100011215345_100000698445 [0,2,0,0,0,0|2,0,0]=4 13774 B14R0.181 COC(=O)C(C)COCCCCCCCl 34a_100000766143_100000698445 [0,2,0,0,0,0|2,0,0]=4 13775 B14R0.181 COC(=O)C(C)COCCCCCCF 34a_100000732779_100000698445 [0,2,0,0,0,0|2,0,0]=4 13776 B14R0.181 COC(=O)C(C)COCCCCCCF 34a_100000749362_100015922095 [0,2,0,0,0,0|2,0,0]=4 13777 B14R0.181 COC(=O)C(C)COCCCCCCF 7a_100000749362_100015922095 [0,2,0,0,0,0|2,0,0]=4 13778 B14R0.181 COC(=O)C(C)COCCCCCCN 34a_100000686447_100000698445 [0,2,0,0,0,0|2,0,0]=4 13779 B14R0.181 COC(=O)C(C)COCCCCCCO 34a_100000749362_100000766143 [0,2,0,0,0,0|2,0,0]=4 13780 B14R0.181 COC(=O)C(C)COCCCCCCO 7a_100000749362_100000766143 [0,2,0,0,0,0|2,0,0]=4 13781 B14R0.181 COC(=O)C(C)CSCCCCCCF 62a_100000698445_100015922095 [0,2,0,0,0,0|2,0,0]=4 13782 B14R0.181 COC(=O)C(C)CSCCCCCCF 62a_100015922095_100000698445 [0,2,0,0,0,0|2,0,0]=4 13783 B14R0.181 COC(=O)C(C)CSCCCCCCO 62a_100000698445_100000766143 [0,2,0,0,0,0|2,0,0]=4 13784 B14R0.181 COC(=O)C(C)CSCCCCCCO 62a_100000766143_100000698445 [0,2,0,0,0,0|2,0,0]=4 13785 B14R0.181 COC(=O)C(C)NCCCCCCCO 2230a_100011996573_100000211248 [0,2,0,0,0,0|2,0,0]=4 13786 B14R0.181 COC(=O)C(C)NCCCCCCCO 34a_100011996573_100000211248 [0,2,0,0,0,0|2,0,0]=4 13787 B14R0.181 COC(=O)C(C)OCCCCCCCBr 34a_100000760002_100000211248 [0,2,0,0,0,0|2,0,0]=4 13788 B14R0.181 COC(=O)C(C)OCCCCCCCBr 7a_100000760002_100000211248 [0,2,0,0,0,0|2,0,0]=4 13789 B14R0.181 COC(=O)C(C)OCCCCCCCN 34a_100011996573_100000211248 [0,2,0,0,0,0|2,0,0]=4 13790 B14R0.181 COC(=O)C(C)OCCCCCCCO 34a_100011215400_100000760002 [0,2,0,0,0,0|2,0,0]=4 13791 B14R0.181 COC(=O)C(C)SCCCCCCCO 62a_100000211248_100000760002 [0,2,0,0,0,0|2,0,0]=4 13792 B14R0.181 COC(=O)C(C)SCCCCCCCO 62a_100000760002_100000211248 [0,2,0,0,0,0|2,0,0]=4 13793 B14R0.181 COC(=O)C(F)COCCCCCCF 34a_200009849844_100015922095 [0,2,0,0,0,0|2,0,0]=4 13794 B14R0.181 COC(=O)C(F)COCCCCCCO 34a_200009849844_100000766143 [0,2,0,0,0,0|2,0,0]=4 13795 B14R0.181 COC(=O)[C@H](N)COCCCCCCF 34a_100000003586_100015922095 [0,2,0,0,0,0|2,0,0]=4 13796 B14R0.181 COC(=O)[C@H](N)COCCCCCCO 34a_100000003586_100000766143 [0,2,0,0,0,0|2,0,0]=4 13797 B14R0.181 COCCCCCCOC(C)C(=O)OC 34a_100011215400_100011998445 [0,2,0,0,0,0|2,0,0]=4 13798 B14R0.181 COCCCCCCOC(C)C(=O)OC 34a_200012092642_100000211248 [0,2,0,0,0,0|2,0,0]=4 13799 B14R0.181 COCCCCCCOC(C)C(=O)OC 7a_200012092642_100000211248 [0,2,0,0,0,0|2,0,0]=4 13800 B14R0.181 COCCCCCCSC(C)C(=O)OC 62a_100000211248_100011998445 [0,2,0,0,0,0|2,0,0]=4 13801 B14R0.181 COCCCCCCSC(C)C(=O)OC 62a_100011998445_100000211248 [0,2,0,0,0,0|2,0,0]=4 13802 B14R0.181 COCCCCCNCC(C)C(=O)OC 34a_100000747528_100000698445 [0,2,0,0,0,0|2,0,0]=4 13803 B14R0.181 COCCCCOCCC(C)C(=O)OC 34a_100000740925_100000034942 [0,2,0,0,0,0|2,0,0]=4 13804 B14R0.181 COCCCCSCCC(C)C(=O)OC 62a_100000034942_100000730899 [0,2,0,0,0,0|2,0,0]=4 13805 B14R0.181 COCCCCSCCC(C)C(=O)OC 62a_100000730899_100000034942 [0,2,0,0,0,0|2,0,0]=4 13806 B14R0.197 CCC(=O)CCCCCCCC(=O)OC 1458a_100000033222_100000210202 [0,2,0,0,0,0|0,0,1]=3 13807 B14R0.197 CCC(=O)CCCCCCCC(=O)OC 1458a_100000210414_100010004213 [0,2,0,0,0,0|0,0,1]=3 13808 B14R0.197 CCC(=O)COCCCCCC(=O)OC 34a_100000725409_100009816466 [0,2,0,0,0,0|1,0,1]=4 13809 B14R0.197 CCC(=O)COCCCCCC(=O)OC 7a_100000074720_100000747405 [0,2,0,0,0,0|1,0,1]=4 13810 B14R0.197 CCC(=O)COCCCCCC(C)CC 7a_200000035636_100000747405 [0,2,0,0,0,0|2,0,0]=4 13811 B14R0.197 CCC(=O)CSCCCCCC(=O)OC 62a_100000747405_100009816466 [0,2,0,0,0,0|1,0,1]=4 13812 B14R0.197 CCC(=O)CSCCCCCC(=O)OC 62a_100009816466_100000747405 [0,2,0,0,0,0|1,0,1]=4 13813 B14R0.197 CCC(=O)NCCCCCCC(=O)OC 188690a_100000739044_100000210414 [0,2,0,0,0,0|1,0,1]=4 13814 B14R0.197 CCC(C)CCCCCOCC(=O)NC 7a_200000035636_100000183359 [0,2,0,0,0,0|2,0,0]=4 13815 B14R0.197 CCC(C)CCCCCOCC(=O)OC 7a_200000035636_100000747449 [0,2,0,0,0,0|1,0,0]=3 13816 B14R0.197 CCC(C)CCCOCCCC(=O)NC 7a_100011216074_100000741757 [0,2,0,0,0,0|2,0,0]=4 13817 B14R0.197 CCC(C)CCCOCCCC(=O)OC 7a_100011216074_100011218270 [0,2,0,0,0,0|1,0,0]=3 13818 B14R0.197 CCC(C)CCNCCCCC(=O)OC 2230a_100020591266_100000204269 [0,2,0,0,0,0|1,0,0]=3 13819 B14R0.197 CCC(C)CCNCCOCC(=O)OC 2230a_100020591266_100000090808 [0,2,0,0,0,0|2,0,0]=4 13820 B14R0.197 CCC(C)CCOCCCCC(=O)OC 7a_100011215188_100000204269 [0,2,0,0,0,0|1,0,0]=3 13821 B14R0.197 CCC(C)CCOCCOCC(=O)OC 7a_100011215188_100000090808 [0,2,0,0,0,0|2,0,0]=4 13822 B14R0.197 CCC(C)CNCCCCCC(=O)OC 2230a_100020588543_100009816466 [0,2,0,0,0,0|1,0,0]=3 13823 B14R0.197 CCC(C)COCCCCCC(=O)OC 34a_100000074720_100000748023 [0,2,0,0,0,0|1,0,0]=3 13824 B14R0.197 CCC(C)COCCCCCC(=O)OC 7a_100000074720_100000748023 [0,2,0,0,0,0|1,0,0]=3 13825 B14R0.197 CCC(C)CSCCCCCC(=O)OC 62a_100000748023_100009816466 [0,2,0,0,0,0|1,0,0]=3 13826 B14R0.197 CCC(C)CSCCCCCC(=O)OC 62a_100009816466_100000748023 [0,2,0,0,0,0|1,0,0]=3 13827 B14R0.197 CCC(C)NCCCCCCC(=O)OC 2230a_100000209981_100009815986 [0,2,0,0,0,0|1,0,0]=3 13828 B14R0.197 CCC(C)OCCCCCCC(=O)OC 34a_100009863599_100011215416 [0,2,0,0,0,0|1,0,0]=3 13829 B14R0.197 CCC(C)OCCCCCCC(=O)OC 7a_100000210228_100009815986 [0,2,0,0,0,0|1,0,0]=3 13830 B14R0.197 CCC(C)OCCCCCCC(=O)OC 7a_100009863599_100000758301 [0,2,0,0,0,0|1,0,0]=3 13831 B14R0.197 CCC(C)SCCCCCCC(=O)OC 62a_100000758301_100009815986 [0,2,0,0,0,0|1,0,0]=3 13832 B14R0.197 CCC(C)SCCCCCCC(=O)OC 62a_100009815986_100000758301 [0,2,0,0,0,0|1,0,0]=3 13833 B14R0.197 CCC(O)CNCCCCCC(=O)OC 2230a_100011218483_100009816466 [0,2,0,0,0,0|1,0,0]=3 13834 B14R0.197 CCC(O)COCCCCCC(=O)OC 34a_100000074720_100011218378 [0,2,0,0,0,0|1,0,0]=3 13835 B14R0.197 CCC(O)COCCCCCC(=O)OC 7a_100000074720_100011218378 [0,2,0,0,0,0|1,0,0]=3 13836 B14R0.197 CCC(O)CSCCCCCC(=O)OC 62a_100009816466_100011218378 [0,2,0,0,0,0|1,0,0]=3 13837 B14R0.197 CCC(O)CSCCCCCC(=O)OC 62a_100011218378_100009816466 [0,2,0,0,0,0|1,0,0]=3 13838 B14R0.197 CCN(C)CCCCCCCC(=O)OC 2230a_100000225621_100010004213 [0,2,0,0,0,0|1,0,0]=3 13839 B14R0.197 CCN(C)CCCCCCCC(=O)OC 269982a_100000225621_100010004213 [0,2,0,0,0,0|1,0,0]=3 13840 B14R0.197 CCN(C)CCCSCCCC(=O)OC 62a_100011218270_100015186262 [0,2,0,0,0,0|2,0,0]=4 13841 B14R0.197 CC[C@H](C)COCCCCCC(=O)OC 34a_100000074720_100009816398 [0,2,0,0,0,0|1,0,0]=3 13842 B14R0.197 CC[C@H](C)COCCCCCC(=O)OC 7a_100000074720_100009816398 [0,2,0,0,0,0|1,0,0]=3 13843 B14R0.197 CC[C@H](C)COCCCCCC(=O)OC 7a_100009816381_100009816466 [0,2,0,0,0,0|1,0,0]=3 13844 B14R0.197 CC[C@H](C)CSCCCCCC(=O)OC 62a_100009816398_100009816466 [0,2,0,0,0,0|1,0,0]=3 13845 B14R0.197 CC[C@H](C)CSCCCCCC(=O)OC 62a_100009816466_100009816398 [0,2,0,0,0,0|1,0,0]=3 13846 B14R0.197 CNC(=O)CCCCCCCC(=O)OC 11a_106832991635_100000033222 [0,2,0,0,0,0|1,0,1]=4 13847 B14R0.197 CNC(=O)CCCCCCCC(=O)OC 1626a_100102657272_100000033222 [0,2,0,0,0,0|1,0,1]=4 13848 B14R0.197 CNC(=O)CCCCCCCC(=O)OC 240690a_100102657272_100000033222 [0,2,0,0,0,0|1,0,1]=4 13849 B14R0.197 COC(=O)CCCCCCCC(=O)CF 1458a_100000033222_100015361967 [0,2,0,0,0,0|1,0,1]=4 13850 B14R0.197 COC(=O)CCCCCCCC(=O)CO 1458a_100000210174_100010004213 [0,2,0,0,0,0|1,0,1]=4 13851 B14R0.197 COC(=O)CCCCCCN[C@H](C)CO 2230a_100000737577_100009815986 [0,2,0,0,0,0|2,0,0]=4 13852 B14R0.197 COC(=O)CCCCCCOC(C)CF 34a_100016041109_100009815986 [0,2,0,0,0,0|2,0,0]=4 13853 B14R0.197 COC(=O)CCCCCCOC(C)CF 7a_100016041109_100009815986 [0,2,0,0,0,0|2,0,0]=4 13854 B14R0.197 COC(=O)CCCCCCOC(C)CN 34a_100000210904_100009815986 [0,2,0,0,0,0|2,0,0]=4 13855 B14R0.197 COC(=O)CCCCCCOC(C)CO 34a_100009863599_100012180447 [0,2,0,0,0,0|2,0,0]=4 13856 B14R0.197 COC(=O)CCCCCCOC(C)CO 7a_100009863599_100012180447 [0,2,0,0,0,0|2,0,0]=4 13857 B14R0.197 COC(=O)CCCCCCSC(C)CO 62a_100012180447_100009815986 [0,2,0,0,0,0|2,0,0]=4 13858 B14R0.197 COC(=O)CCCCCCSC(C)OC 62a_100009815986_100009879195 [0,2,0,0,0,0|2,0,0]=4 13859 B14R0.197 COC(=O)CCCCCCSC(C)OC 62a_100009879195_100009815986 [0,2,0,0,0,0|2,0,0]=4 13860 B14R0.197 COC(=O)CCCCCCS[C@H](C)CO 62a_100009815986_100016084084 [0,2,0,0,0,0|2,0,0]=4 13861 B14R0.197 COC(=O)CCCCCCS[C@H](C)CO 62a_100016084084_100009815986 [0,2,0,0,0,0|2,0,0]=4 13862 B14R0.197 COC(=O)CCCCCNCC(C)CO 34a_100000744482_100009816466 [0,2,0,0,0,0|2,0,0]=4 13863 B14R0.197 COC(=O)CCCCCNC[C@@H](C)OC 2230a_100020591295_100009816466 [0,2,0,0,0,0|2,0,0]=4 13864 B14R0.197 COC(=O)CCCCCNC[C@@H](F)CO 34a_100015665980_100009816466 [0,2,0,0,0,0|2,0,0]=4 13865 B14R0.197 COC(=O)CCCCCNC[C@H](O)CO 2230a_100020644852_100009816466 [0,2,0,0,0,0|2,0,0]=4 13866 B14R0.197 COC(=O)CCCCCOCC(C)CN 34a_100000744482_100009816466 [0,2,0,0,0,0|2,0,0]=4 13867 B14R0.197 COC(=O)CCCCCOCC(C)OC 34a_100000690652_100009816466 [0,2,0,0,0,0|2,0,0]=4 13868 B14R0.197 COC(=O)CCCCCOCC(Cl)CCl 34a_100000033668_100009816466 [0,2,0,0,0,0|2,0,0]=4 13869 B14R0.197 COC(=O)CCCCCOCC(O)CO 34a_100000074720_100011219619 [0,2,0,0,0,0|2,0,0]=4 13870 B14R0.197 COC(=O)CCCCCOCC(O)CO 7a_100000074720_100011219619 [0,2,0,0,0,0|2,0,0]=4 13871 B14R0.197 COC(=O)CCCCCOC[C@@H](C)CO 34a_100000074720_100000059175 [0,2,0,0,0,0|2,0,0]=4 13872 B14R0.197 COC(=O)CCCCCOC[C@@H](C)CO 7a_100000074720_100000059175 [0,2,0,0,0,0|2,0,0]=4 13873 B14R0.197 COC(=O)CCCCCOC[C@@H](O)CF 34a_100000074720_100015614560 [0,2,0,0,0,0|2,0,0]=4 13874 B14R0.197 COC(=O)CCCCCOC[C@@H](O)CF 7a_100000074720_100015614560 [0,2,0,0,0,0|2,0,0]=4 13875 B14R0.197 COC(=O)CCCCCOC[C@@H](O)CO 34a_100000074720_100009815848 [0,2,0,0,0,0|2,0,0]=4 13876 B14R0.197 COC(=O)CCCCCOC[C@@H](O)CO 7a_100000074720_100009815848 [0,2,0,0,0,0|2,0,0]=4 13877 B14R0.197 COC(=O)CCCCCOC[C@H](F)CN 34a_100015665980_100009816466 [0,2,0,0,0,0|2,0,0]=4 13878 B14R0.197 COC(=O)CCCCCSCC(O)CO 62a_100009816466_100011219619 [0,2,0,0,0,0|2,0,0]=4 13879 B14R0.197 COC(=O)CCCCCSCC(O)CO 62a_100011219619_100009816466 [0,2,0,0,0,0|2,0,0]=4 13880 B14R0.197 COC(=O)CCCCCSC[C@@H](C)CO 62a_100000059175_100009816466 [0,2,0,0,0,0|2,0,0]=4 13881 B14R0.197 COC(=O)CCCCCSC[C@@H](C)CO 62a_100009816466_100000059175 [0,2,0,0,0,0|2,0,0]=4 13882 B14R0.197 COC(=O)CCCCCSC[C@@H](O)CF 62a_100009816466_100015614560 [0,2,0,0,0,0|2,0,0]=4 13883 B14R0.197 COC(=O)CCCCCSC[C@@H](O)CF 62a_100015614560_100009816466 [0,2,0,0,0,0|2,0,0]=4 13884 B14R0.197 COC(=O)CCCCCSC[C@@H](O)CO 62a_100009815848_100009816466 [0,2,0,0,0,0|2,0,0]=4 13885 B14R0.197 COC(=O)CCCCCSC[C@@H](O)CO 62a_100009816466_100009815848 [0,2,0,0,0,0|2,0,0]=4 13886 B14R0.197 COC(=O)CCCCNCCC(C)CO 2230a_106354213184_100000204269 [0,2,0,0,0,0|2,0,0]=4 13887 B14R0.197 COC(=O)CCCCNCCC(C)CO 34a_106354213184_100000204269 [0,2,0,0,0,0|2,0,0]=4 13888 B14R0.197 COC(=O)CCCCOCCC(C)OC 7a_100000764861_100000204269 [0,2,0,0,0,0|2,0,0]=4 13889 B14R0.197 COC(=O)CCCOCCC[C@@H](C)CN 34a_100160569302_100000742333 [0,2,0,0,0,0|2,0,0]=4 13890 B14R0.226 CCCCCC(=O)CCCCC(=O)OC 1458a_100000212188_100000204269 [0,2,0,0,0,0|0,0,1]=3 13891 B14R0.226 CCCCCC(=O)CCCCC(=O)OC 1458a_100000695723_100000210326 [0,2,0,0,0,0|0,0,1]=3 13892 B14R0.226 CCCCCC(=O)CCCNC(=O)OC 1458a_100000753017_100000210326 [0,2,0,0,0,0|1,0,1]=4 13893 B14R0.226 CCCCCC(=O)CCOCC(=O)OC 1458a_100000212188_100000090808 [0,2,0,0,0,0|1,0,1]=4 13894 B14R0.226 CCCCCC(=O)CSCCC(=O)OC 62a_100000204255_200012276598 [0,2,0,0,0,0|1,0,1]=4 13895 B14R0.226 CCCCCC(=O)CSCCC(=O)OC 62a_200012276598_100000204255 [0,2,0,0,0,0|1,0,1]=4 13896 B14R0.226 CCCCCC(=O)NCCCC(=O)OC 188690a_100000184769_100000212188 [0,2,0,0,0,0|1,0,1]=4 13897 B14R0.226 CCCCCC(C)NCCCC(=O)NC 2230a_100000211957_100000741757 [0,2,0,0,0,0|2,0,0]=4 13898 B14R0.226 CCCCCC(C)NCCCC(=O)NC 2230a_100000740002_200011218191 [0,2,0,0,0,0|2,0,0]=4 13899 B14R0.226 CCCCCC(C)NCCCC(=O)NC 270004a_100000740002_100000211708 [0,2,0,0,0,0|2,0,0]=4 13900 B14R0.226 CCCCCC(C)NCCCC(=O)NC 34a_100000740002_200011218191 [0,2,0,0,0,0|2,0,0]=4 13901 B14R0.226 CCCCCC(C)NCCCC(=O)OC 2230a_100000211957_100011218270 [0,2,0,0,0,0|1,0,0]=3 13902 B14R0.226 CCCCCC(C)OCCCC(=O)NC 34a_100011215632_100000741757 [0,2,0,0,0,0|2,0,0]=4 13903 B14R0.226 CCCCCC(C)OCCCC(=O)NC 7a_100011215632_100000741757 [0,2,0,0,0,0|2,0,0]=4 13904 B14R0.226 CCCCCC(C)OCCCC(=O)NN 34a_100000211488_200011218191 [0,2,0,0,0,0|2,0,0]=4 13905 B14R0.226 CCCCCC(C)OCCCC(=O)OC 34a_100011215632_100000742333 [0,2,0,0,0,0|1,0,0]=3 13906 B14R0.226 CCCCCC(C)OCCCC(=O)OC 7a_100011215632_100011218270 [0,2,0,0,0,0|1,0,0]=3 13907 B14R0.226 CCCCCC(C)OCCNC(=O)OC 34a_100000757965_200011218191 [0,2,0,0,0,0|2,0,0]=4 13908 B14R0.226 CCCCCC(C)OCCOC(=O)OC 34a_100010262106_200011218191 [0,2,0,0,0,0|2,0,0]=4 13909 B14R0.226 CCCCCC(C)SCCCC(=O)NC 62a_100000741757_200011218191 [0,2,0,0,0,0|2,0,0]=4 13910 B14R0.226 CCCCCC(C)SCCCC(=O)NC 62a_200011218191_100000741757 [0,2,0,0,0,0|2,0,0]=4 13911 B14R0.226 CCCCCC(C)SCCCC(=O)OC 62a_100011218270_200011218191 [0,2,0,0,0,0|1,0,0]=3 13912 B14R0.226 CCCCCC(C)SCCCC(=O)OC 62a_200011218191_100011218270 [0,2,0,0,0,0|1,0,0]=3 13913 B14R0.226 CCCCCN(C)CCCCC(=O)OC 2230a_100000223495_100000204269 [0,2,0,0,0,0|1,0,0]=3 13914 B14R0.226 CCCCCN(C)CCCCC(=O)OC 269982a_100000223495_100000204269 [0,2,0,0,0,0|1,0,0]=3 13915 B14R0.226 CCCCCN(C)CCOCC(=O)OC 2230a_100000223495_100000090808 [0,2,0,0,0,0|2,0,0]=4 13916 B14R0.226 CCCCNC(=O)CCCCC(=O)OC 11a_100000102301_100000695723 [0,2,0,0,0,0|1,0,1]=4 13917 B14R0.226 CCCCNC(=O)CCCCC(=O)OC 1626a_100000102301_100000695723 [0,2,0,0,0,0|1,0,1]=4 13918 B14R0.226 CCCCNC(=O)CCCCC(=O)OC 240690a_100000102301_100000695723 [0,2,0,0,0,0|1,0,1]=4 13919 B14R0.226 CCCCNC(=O)CCCCC(=O)OC 527a_100000102301_100000695723 [0,2,0,0,0,0|1,0,1]=4 13920 B14R0.226 CCCOCC(=O)CCCCC(=O)OC 1458a_100000745993_100000204269 [0,2,0,0,0,0|1,0,1]=4 13921 B14R0.226 CCCSCC(=O)CCCCC(=O)OC 1458a_100000217233_100000204269 [0,2,0,0,0,0|1,0,1]=4 13922 B14R0.226 CCOCCC(=O)CCCCC(=O)OC 1458a_100000695723_100011215890 [0,2,0,0,0,0|1,0,1]=4 13923 B14R0.226 CCOCCC(=O)CCCCC(=O)OC 1458a_100000749530_100000204269 [0,2,0,0,0,0|1,0,1]=4 13924 B14R0.226 CCSCCC(=O)CCCCC(=O)OC 1458a_100000230768_100000204269 [0,2,0,0,0,0|1,0,1]=4 13925 B14R0.226 CCSCCC(=O)CCCCC(=O)OC 1458a_100000695723_100000757381 [0,2,0,0,0,0|1,0,1]=4 13926 B14R0.226 COC(=O)CCCCC(=O)CCCCF 1458a_100000695723_100000729493 [0,2,0,0,0,0|1,0,1]=4 13927 B14R0.226 COC(=O)CCCCC(=O)CCCCO 1458a_100000695505_100000204269 [0,2,0,0,0,0|1,0,1]=4 13928 B14R0.226 COC(=O)CCCCC(=O)CCCCO 1458a_100000695723_100000210776 [0,2,0,0,0,0|1,0,1]=4 13929 B14R0.226 COC(=O)CCCCC(=O)CCCSC 1458a_100000173376_100000204269 [0,2,0,0,0,0|1,0,1]=4 13930 B14R0.226 COC(=O)CCCCN(C)CCCCO 2230a_100000717598_100000204269 [0,2,0,0,0,0|2,0,0]=4 13931 B14R0.226 COC(=O)CCCCN(C)CCCCO 269982a_100000717598_100000204269 [0,2,0,0,0,0|2,0,0]=4 13932 B14R0.226 COC(=O)CCOC[C@@H](N)CCCCN 34a_100016993712_100000742370 [0,2,0,0,0,0|2,0,0]=4 13933 B14R0.226 COCCCC(=O)CCCCC(=O)OC 1458a_100000695723_100000740836 [0,2,0,0,0,0|1,0,1]=4 13934 B14R0.226 COCCCC(=O)CCCCC(=O)OC 1458a_100000741012_100000204269 [0,2,0,0,0,0|1,0,1]=4 13935 B14R0.226 COCCCC(C)OCCCC(=O)OC 34a_200011539412_100000742333 [0,2,0,0,0,0|2,0,0]=4 13936 B14R0.226 COCCCC(C)OCCCC(=O)OC 7a_200011539412_100011218270 [0,2,0,0,0,0|2,0,0]=4 13937 B14R0.226 COCCCN(C)CCCCC(=O)OC 2230a_100000224831_100000204269 [0,2,0,0,0,0|2,0,0]=4 13938 B14R0.226 COCCCN(C)CCCCC(=O)OC 269982a_100000224831_100000204269 [0,2,0,0,0,0|2,0,0]=4 13939 B14R0.393 C#CCC(=O)CCCCCCCCCC 1458a_100000210375_100000184674 [0,2,0,0,0,0|1,0,0]=3 13940 B14R0.393 C#CCC(=O)CCCCCCCCCC 1458a_100011220946_100000210319 [0,2,0,0,0,0|1,0,0]=3 13941 B14R0.393 C#CCC(=O)CCCCCCCCCF 1458a_200009909015_100000184674 [0,2,0,0,0,0|2,0,0]=4 13942 B14R0.393 C#CCC(=O)CCCCCCCCCO 1458a_100011220946_100009813782 [0,2,0,0,0,0|2,0,0]=4 13943 B14R0.393 C#CCC(=O)COCCCCCCCC 1458a_100000759886_100000184674 [0,2,0,0,0,0|2,0,0]=4 13944 B14R0.393 C#CCC(=O)NCCCCCCCCC 1626a_100000212291_100011220946 [0,2,0,0,0,0|2,0,0]=4 13945 B14R0.393 C#CCC(=O)NCCCCCCCCC 527a_100000212291_100011220946 [0,2,0,0,0,0|2,0,0]=4 13946 B14R0.393 C#CCCCCCCCCC(=O)CCO 1458a_100000029693_100000211926 [0,2,0,0,0,0|0,0,2]=4 13947 B14R0.393 C=CCC(=O)CCCCCCCCCC 1458a_100000210193_100000210319 [0,2,0,0,0,0|1,0,0]=3 13948 B14R0.393 C=CCC(=O)CCCCCCCCCC 1458a_100000210375_100000210623 [0,2,0,0,0,0|1,0,0]=3 13949 B14R0.393 C=CCC(=O)CCCCCCCCCF 1458a_200009909015_100000210623 [0,2,0,0,0,0|2,0,0]=4 13950 B14R0.393 C=CCC(=O)CCCCCCCCCO 1458a_100000210193_100009813782 [0,2,0,0,0,0|2,0,0]=4 13951 B14R0.393 C=CCC(=O)COCCCCCCCC 1458a_100000759886_100000210623 [0,2,0,0,0,0|2,0,0]=4 13952 B14R0.393 C=CCC(=O)NCCCCCCCCC 11a_100000212291_100000210193 [0,2,0,0,0,0|2,0,0]=4 13953 B14R0.393 C=CCC(=O)NCCCCCCCCC 1626a_100000212291_100000210193 [0,2,0,0,0,0|2,0,0]=4 13954 B14R0.393 C=CCC(=O)NCCCCCCCCC 240690a_100000212291_100000210193 [0,2,0,0,0,0|2,0,0]=4 13955 B14R0.393 C=CCC(=O)NCCCCCCCCC 527a_100000212291_100000210193 [0,2,0,0,0,0|2,0,0]=4 13956 B14R0.393 C=CCCCCCCCCC(=O)CCO 1458a_100000211349_100000211926 [0,2,0,0,0,0|0,0,2]=4 13957 B14R0.393 C=CCCCCCCCCC(=O)CCO 1458a_100011216618_100011933949 [0,2,0,0,0,0|0,0,2]=4 13958 B14R0.393 C=CCCCCCCCCC(=O)COC 1458a_100000210968_100011933949 [0,2,0,0,0,0|0,0,2]=4 13959 B14R0.393 C=COC(=O)CNCCCCCCCC 2230a_100000229939_100000036128 [0,2,0,0,0,0|1,0,0]=3 13960 B14R0.393 C=COC(=O)CNCCCCCCCC 34a_100000229939_100000036128 [0,2,0,0,0,0|1,0,0]=3 13961 B14R0.393 C=COC(=O)CNCCCCCCCO 2230a_100011996573_100000036128 [0,2,0,0,0,0|2,0,0]=4 13962 B14R0.393 C=COC(=O)CNCCCCCCCO 34a_100011996573_100000036128 [0,2,0,0,0,0|2,0,0]=4 13963 B14R0.393 C=COC(=O)CNCCCOCCCC 2230a_200000211371_100000036128 [0,2,0,0,0,0|2,0,0]=4 13964 B14R0.393 C=COC(=O)CNCCCOCCCC 34a_200000211371_100000036128 [0,2,0,0,0,0|2,0,0]=4 13965 B14R0.393 C=COC(=O)COCCCCCCCBr 34a_100000760002_100000036128 [0,2,0,0,0,0|2,0,0]=4 13966 B14R0.393 C=COC(=O)COCCCCCCCC 34a_100000210232_100000036128 [0,2,0,0,0,0|1,0,0]=3 13967 B14R0.393 C=COC(=O)COCCCCCCCN 34a_100011996573_100000036128 [0,2,0,0,0,0|2,0,0]=4 13968 B14R0.393 C=COC(=O)COCCCCCCOC 34a_200012092642_100000036128 [0,2,0,0,0,0|2,0,0]=4 13969 B14R0.393 C=COC(=O)COCCCOCCCC 34a_200011215613_100000036128 [0,2,0,0,0,0|2,0,0]=4 13970 B14R0.393 C=COC(=O)COCCNCCCCC 34a_100000224656_100000036128 [0,2,0,0,0,0|2,0,0]=4 13971 B14R0.393 C=COC(=O)COCCOCCCCC 34a_100011215259_100000036128 [0,2,0,0,0,0|2,0,0]=4 13972 B14R0.393 C=COC(=O)CSCCCCCCCC 62a_100000036128_100000210317 [0,2,0,0,0,0|1,0,0]=3 13973 B14R0.393 C=COC(=O)CSCCCCCCCC 62a_100000210759_100000036128 [0,2,0,0,0,0|1,0,0]=3 13974 B14R0.393 C=COC(=O)CSCCCCCCCO 62a_100000036128_100000760002 [0,2,0,0,0,0|2,0,0]=4 13975 B14R0.393 C=COC(=O)CSCCCCCCCO 62a_100000760002_100000036128 [0,2,0,0,0,0|2,0,0]=4 13976 B14R0.393 C=COC(=O)CSCCCCCCOC 62a_100000036128_100011998445 [0,2,0,0,0,0|2,0,0]=4 13977 B14R0.393 C=COC(=O)CSCCCCCCOC 62a_100011998445_100000036128 [0,2,0,0,0,0|2,0,0]=4 13978 B14R0.393 CC#CC(=O)CCCCCCCCCC 1458a_100000763181_100000210319 [0,2,0,0,0,0|1,0,0]=3 13979 B14R0.393 CC#CC(=O)CCCCCCCCCO 1458a_100000763181_100009813782 [0,2,0,0,0,0|2,0,0]=4 13980 B14R0.393 CC#CCCCCCCCC(=O)CCO 1458a_100000066323_100000211926 [0,2,0,0,0,0|0,0,2]=4 13981 B14R0.393 CC=CC(=O)CCCCCCCCCC 1458a_100000210699_100000210319 [0,2,0,0,0,0|1,0,0]=3 13982 B14R0.393 CC=CC(=O)CCCCCCCCCO 1458a_100000210699_100009813782 [0,2,0,0,0,0|2,0,0]=4 13983 B14R0.393 CC=CC(=O)NCCCCCCCCC 11a_100000212291_100000210699 [0,2,0,0,0,0|2,0,0]=4 13984 B14R0.393 CC=CC(=O)NCCCCCCCCC 1626a_100000212291_100000210699 [0,2,0,0,0,0|2,0,0]=4 13985 B14R0.393 CC=CC(=O)NCCCCCCCCC 240690a_100000212291_100000210699 [0,2,0,0,0,0|2,0,0]=4 13986 B14R0.393 CCC#CCCCCCCC(=O)CCO 1458a_100011216618_200000036426 [0,2,0,0,0,0|0,0,2]=4 13987 B14R0.393 CCC#CCCCCCCC(=O)COC 1458a_100000210968_200000036426 [0,2,0,0,0,0|0,0,2]=4 13988 B14R0.393 CCCC(=O)CCCCCCCCCF 1458a_200009909015_100000210303 [0,2,0,0,0,0|2,0,0]=4 13989 B14R0.393 CCCC(=O)CCCCCCCCCO 1458a_100000211992_100009813782 [0,2,0,0,0,0|2,0,0]=4 13990 B14R0.393 CCCCCCCCC=CC(=O)CCO 1458a_100015345288_100000211926 [0,2,0,0,0,0|0,0,2]=4 13991 B14R0.393 CCCCCCCCCCC(=O)C=CBr 1458a_100016273825_100000210319 [0,2,0,0,0,0|1,0,0]=3 13992 B14R0.393 CCCCCCCCCCC(=O)C=CCl 1458a_200016279998_100000210319 [0,2,0,0,0,0|1,0,0]=3 13993 B14R0.393 CCCCCCCCCCC(=O)C=CI 1458a_100016256311_100000210319 [0,2,0,0,0,0|1,0,0]=3 13994 B14R0.393 CCCCCCCCCCC(=O)CC#N 1458a_100000210375_100011214920 [0,2,0,0,0,0|1,0,0]=3 13995 B14R0.393 CCCCCCCCCCC(=O)CC#N 1458a_100051588842_100000210319 [0,2,0,0,0,0|1,0,0]=3 13996 B14R0.393 CCCCCCCCCCC(=O)CCC 1458a_100000210375_100000210303 [0,2,0,0,0,0|1,0,0]=3 13997 B14R0.393 CCCCCCCCCCC(=O)CCC 1458a_100000211992_100000210319 [0,2,0,0,0,0|1,0,0]=3 13998 B14R0.393 CCCCCCCCCCC(=O)CCF 1458a_100000210375_100011217306 [0,2,0,0,0,0|1,0,0]=3 13999 B14R0.393 CCCCCCCCCCC(=O)CCO 1458a_100000210375_100000211926 [0,2,0,0,0,0|0,0,0]=2 14000 B14R0.393 CCCCCCCCCCC(=O)CCO 1458a_100011216618_100000210319 [0,2,0,0,0,0|0,0,0]=2 14001 B14R0.393 CCCCCCCCCCC(=O)COC 1458a_100000210968_100000210319 [0,2,0,0,0,0|0,0,0]=2 14002 B14R0.393 CCCCCCCCCCC(=O)CSC 1458a_100000184570_100000210319 [0,2,0,0,0,0|0,1,0]=3 14003 B14R0.393 CCCCCCCCCCC(=O)NCC 11a_100015525214_100000210375 [0,2,0,0,0,0|1,0,0]=3 14004 B14R0.393 CCCCCCCCCCC(=O)NCC 240690a_100015525214_100000210375 [0,2,0,0,0,0|1,0,0]=3 14005 B14R0.393 CCCCCCCCCCC(=O)NNC 22a_100016993582_100000210375 [0,2,0,0,0,0|1,0,0]=3 14006 B14R0.393 CCCCCCCCCCC(C)OCC 34a_100011215000_100000210202 [0,2,0,0,0,0|1,0,1]=4 14007 B14R0.393 CCCCCCCCCCC(C)OCC 7a_100011215000_100000210202 [0,2,0,0,0,0|1,0,1]=4 14008 B14R0.393 CCCCCCCCCCC(C)OCF 34a_100011215000_100015361967 [0,2,0,0,0,0|1,0,1]=4 14009 B14R0.393 CCCCCCCCCCC(C)OCF 7a_100011215000_100015361967 [0,2,0,0,0,0|1,0,1]=4 14010 B14R0.393 CCCCCCCCCCN(C)CC=O 2230a_100000207566_200015260668 [0,2,0,0,0,0|2,0,0]=4 14011 B14R0.393 CCCCCCCCCCN(C)CC=O 269982a_100000207566_200015260668 [0,2,0,0,0,0|2,0,0]=4 14012 B14R0.393 CCCCCCCCCCN(C)CCO 2230a_100000207566_100000211926 [0,2,0,0,0,0|2,0,0]=4 14013 B14R0.393 CCCCCCCCCCN(C)CCO 2230a_100000210263_100000210320 [0,2,0,0,0,0|2,0,0]=4 14014 B14R0.393 CCCCCCCCCCN(C)CCO 269982a_100000207566_100000211926 [0,2,0,0,0,0|2,0,0]=4 14015 B14R0.393 CCCCCCCCCCN(C)CCO 269982a_100000210263_100000210320 [0,2,0,0,0,0|2,0,0]=4 14016 B14R0.393 CCCCCCCCCCN(C)COC 2230a_100000207566_100000766300 [0,2,0,0,0,0|2,0,0]=4 14017 B14R0.393 CCCCCCCCCCN(C)COC 269982a_100000207566_100000766300 [0,2,0,0,0,0|2,0,0]=4 14018 B14R0.393 CCCCCCCCCNC(=O)C=CBr 1626a_100000212291_100016273825 [0,2,0,0,0,0|2,0,0]=4 14019 B14R0.393 CCCCCCCCCNC(=O)C=CBr 240690a_100000212291_100016273825 [0,2,0,0,0,0|2,0,0]=4 14020 B14R0.393 CCCCCCCCCNC(=O)C=CCl 11a_100000212291_200016279998 [0,2,0,0,0,0|2,0,0]=4 14021 B14R0.393 CCCCCCCCCNC(=O)C=CCl 1626a_100000212291_200016279998 [0,2,0,0,0,0|2,0,0]=4 14022 B14R0.393 CCCCCCCCCNC(=O)C=CCl 240690a_100000212291_200016279998 [0,2,0,0,0,0|2,0,0]=4 14023 B14R0.393 CCCCCCCCCNC(=O)C=CI 1626a_100000212291_100016256311 [0,2,0,0,0,0|2,0,0]=4 14024 B14R0.393 CCCCCCCCCNC(=O)CC#N 1626a_100000212291_100051588842 [0,2,0,0,0,0|2,0,0]=4 14025 B14R0.393 CCCCCCCCCNC(=O)CC#N 240690a_100000212291_100051588842 [0,2,0,0,0,0|2,0,0]=4 14026 B14R0.393 CCCCCCCCCNC(=O)CCC 11a_100000212291_100000211992 [0,2,0,0,0,0|2,0,0]=4 14027 B14R0.393 CCCCCCCCCNC(=O)CCC 1626a_100000212291_100000211992 [0,2,0,0,0,0|2,0,0]=4 14028 B14R0.393 CCCCCCCCCNC(=O)CCC 240690a_100000212291_100000211992 [0,2,0,0,0,0|2,0,0]=4 14029 B14R0.393 CCCCCCCCCNC(=O)CCC 527a_100000212291_100000211992 [0,2,0,0,0,0|2,0,0]=4 14030 B14R0.393 CCCCCCCCCNC(=O)CCO 240690a_100000212291_100011216618 [0,2,0,0,0,0|1,0,0]=3 14031 B14R0.393 CCCCCCCCCNC(=O)COC 11a_100000212291_100000210968 [0,2,0,0,0,0|1,0,0]=3 14032 B14R0.393 CCCCCCCCCNC(=O)COC 1626a_100000212291_100000210968 [0,2,0,0,0,0|1,0,0]=3 14033 B14R0.393 CCCCCCCCCNC(=O)COC 240690a_100000212291_100000210968 [0,2,0,0,0,0|1,0,0]=3 14034 B14R0.393 CCCCCCCCCNC(=O)COC 527a_100000212291_100000210968 [0,2,0,0,0,0|1,0,0]=3 14035 B14R0.393 CCCCCCCCCNC(=O)CSC 11a_100000212291_100000184570 [0,2,0,0,0,0|1,1,0]=4 14036 B14R0.393 CCCCCCCCCNC(=O)CSC 1626a_100000212291_100000184570 [0,2,0,0,0,0|1,1,0]=4 14037 B14R0.393 CCCCCCCCCNC(=O)CSC 240690a_100000212291_100000184570 [0,2,0,0,0,0|1,1,0]=4 14038 B14R0.393 CCCCCCCCCNC(=O)CSC 527a_100000212291_100000184570 [0,2,0,0,0,0|1,1,0]=4 14039 B14R0.393 CCCCCCCCCNC(=O)NCC 2708a_100000212291_100015525214 [0,2,0,0,0,0|2,0,0]=4 14040 B14R0.393 CCCCCCCCCNC(=O)NCC 2708a_100015525214_100000212291 [0,2,0,0,0,0|2,0,0]=4 14041 B14R0.393 CCCCCCCCCNC(=O)NCC 273464a_100000212291_100015525214 [0,2,0,0,0,0|2,0,0]=4 14042 B14R0.393 CCCCCCCCCNC(=O)NCC 273464a_100015525214_100000212291 [0,2,0,0,0,0|2,0,0]=4 14043 B14R0.393 CCCCCCCCCNC(=O)NCC 512a_100000212291_100015525214 [0,2,0,0,0,0|2,0,0]=4 14044 B14R0.393 CCCCCCCCCNC(=O)NCC 512a_100015525214_100000212291 [0,2,0,0,0,0|2,0,0]=4 14045 B14R0.393 CCCCCCCCCNC(=O)NNC 273464a_100000212291_100016993582 [0,2,0,0,0,0|2,0,0]=4 14046 B14R0.393 CCCCCCCCCNC(=O)NNC 512a_100000212291_100016993582 [0,2,0,0,0,0|2,0,0]=4 14047 B14R0.393 CCCCCCCCCNC(=O)NNC 512a_100016993582_100000212291 [0,2,0,0,0,0|2,0,0]=4 14048 B14R0.393 CCCCCCCCNCC(=O)CCC 2230a_100000229939_100000747444 [0,2,0,0,0,0|2,0,0]=4 14049 B14R0.393 CCCCCCCCNCC(=O)NCC 2230a_100000229939_100000183381 [0,2,0,0,0,0|2,0,0]=4 14050 B14R0.393 CCCCCCCCNCC(=O)NCC 2230a_100016988866_100000210759 [0,2,0,0,0,0|2,0,0]=4 14051 B14R0.393 CCCCCCCCNCC(=O)NCC 34a_100000229939_100000183381 [0,2,0,0,0,0|2,0,0]=4 14052 B14R0.393 CCCCCCCCNCC(=O)NCO 2230a_100000229939_100000185155 [0,2,0,0,0,0|1,0,0]=3 14053 B14R0.393 CCCCCCCCNCC(=O)NCO 34a_100000229939_100000185155 [0,2,0,0,0,0|1,0,0]=3 14054 B14R0.393 CCCCCCCCNCC(=O)OCC 2230a_100000229939_100000188475 [0,2,0,0,0,0|1,0,0]=3 14055 B14R0.393 CCCCCCCCNCC(=O)OCC 34a_100000229939_100000188475 [0,2,0,0,0,0|1,0,0]=3 14056 B14R0.393 CCCCCCCCOCC(=O)CC#N 1458a_100000759886_100011214920 [0,2,0,0,0,0|2,0,0]=4 14057 B14R0.393 CCCCCCCCOCC(=O)CCC 1458a_100000759886_100000210303 [0,2,0,0,0,0|2,0,0]=4 14058 B14R0.393 CCCCCCCCOCC(=O)CCC 7a_100000210232_100000747444 [0,2,0,0,0,0|2,0,0]=4 14059 B14R0.393 CCCCCCCCOCC(=O)CCF 1458a_100000759886_100011217306 [0,2,0,0,0,0|2,0,0]=4 14060 B14R0.393 CCCCCCCCOCC(=O)CCO 1458a_100000759886_100000211926 [0,2,0,0,0,0|1,0,0]=3 14061 B14R0.393 CCCCCCCCOCC(=O)NCC 11a_100015525214_100000759886 [0,2,0,0,0,0|2,0,0]=4 14062 B14R0.393 CCCCCCCCOCC(=O)NCC 240690a_100015525214_100000759886 [0,2,0,0,0,0|2,0,0]=4 14063 B14R0.393 CCCCCCCCOCC(=O)NCC 34a_100000210232_100000183381 [0,2,0,0,0,0|2,0,0]=4 14064 B14R0.393 CCCCCCCCOCC(=O)NCC 527a_100015525214_100000759886 [0,2,0,0,0,0|2,0,0]=4 14065 B14R0.393 CCCCCCCCOCC(=O)NCC 7a_100000210232_100000183381 [0,2,0,0,0,0|2,0,0]=4 14066 B14R0.393 CCCCCCCCOCC(=O)NCO 34a_100000210232_100000185155 [0,2,0,0,0,0|1,0,0]=3 14067 B14R0.393 CCCCCCCCOCC(=O)NCO 7a_100000210232_100000185155 [0,2,0,0,0,0|1,0,0]=3 14068 B14R0.393 CCCCCCCCOCC(=O)NNC 22a_100016993582_100000759886 [0,2,0,0,0,0|2,0,0]=4 14069 B14R0.393 CCCCCCCCOCC(=O)OCC 34a_100000210232_100000188475 [0,2,0,0,0,0|1,0,0]=3 14070 B14R0.393 CCCCCCCCOCC(=O)OCC 7a_100000210232_100000188475 [0,2,0,0,0,0|1,0,0]=3 14071 B14R0.393 CCCCCCCCSCC(=O)CCC 62a_100000210759_100000747444 [0,2,0,0,0,0|2,0,0]=4 14072 B14R0.393 CCCCCCCCSCC(=O)CCC 62a_100000747444_100000210317 [0,2,0,0,0,0|2,0,0]=4 14073 B14R0.393 CCCCCCCCSCC(=O)NCC 62a_100000183381_100000210317 [0,2,0,0,0,0|2,0,0]=4 14074 B14R0.393 CCCCCCCCSCC(=O)NCC 62a_100000210759_100000183381 [0,2,0,0,0,0|2,0,0]=4 14075 B14R0.393 CCCCCCCCSCC(=O)NCO 62a_100000185155_100000210317 [0,2,0,0,0,0|1,0,0]=3 14076 B14R0.393 CCCCCCCCSCC(=O)NCO 62a_100000210759_100000185155 [0,2,0,0,0,0|1,0,0]=3 14077 B14R0.393 CCCCCCCCSCC(=O)OCC 62a_100000188475_100000210317 [0,2,0,0,0,0|1,0,0]=3 14078 B14R0.393 CCCCCCCCSCC(=O)OCC 62a_100000210759_100000188475 [0,2,0,0,0,0|1,0,0]=3 14079 B14R0.393 CCCCCCCNCCC(=O)NCC 2230a_100000229938_100000737597 [0,2,0,0,0,0|2,0,0]=4 14080 B14R0.393 CCCCCCCNCCC(=O)NCC 34a_100025743525_100000210614 [0,2,0,0,0,0|2,0,0]=4 14081 B14R0.393 CCCCCCCNCCC(=O)OCC 2230a_100000229938_100011206558 [0,2,0,0,0,0|1,0,0]=3 14082 B14R0.393 CCCCCCCOCCC(=O)NCC 7a_100000210272_100000737597 [0,2,0,0,0,0|2,0,0]=4 14083 B14R0.393 CCCCCCCOCCC(=O)OCC 34a_100000210272_100000765890 [0,2,0,0,0,0|1,0,0]=3 14084 B14R0.393 CCCCCCCOCCC(=O)OCC 7a_100000210272_100011206558 [0,2,0,0,0,0|1,0,0]=3 14085 B14R0.393 CCCCCCCSCCC(=O)NCC 62a_100000210614_100000737597 [0,2,0,0,0,0|2,0,0]=4 14086 B14R0.393 CCCCCCCSCCC(=O)NCC 62a_100000737597_100000210316 [0,2,0,0,0,0|2,0,0]=4 14087 B14R0.393 CCCCCCCSCCC(=O)OCC 62a_100000210614_100000765890 [0,2,0,0,0,0|1,0,0]=3 14088 B14R0.393 CCCCCCCSCCC(=O)OCC 62a_100000765890_100000210316 [0,2,0,0,0,0|1,0,0]=3 14089 B14R0.393 CCCCCCCSCOC(=O)OCC 62a_100000210614_100000075025 [0,2,0,0,0,0|2,0,0]=4 14090 B14R0.393 CCCCCCNCCCC(=O)OCC 2230a_100000210581_100009991533 [0,2,0,0,0,0|1,0,0]=3 14091 B14R0.393 CCCCCCOCCCC(=O)OCC 34a_100000210259_100009991533 [0,2,0,0,0,0|1,0,0]=3 14092 B14R0.393 CCCCCCOCCCC(=O)OCC 7a_100000210259_100011215271 [0,2,0,0,0,0|1,0,0]=3 14093 B14R0.393 CCCCCCOCCCC(=O)OCC 7a_100012001163_100000210314 [0,2,0,0,0,0|1,0,0]=3 14094 B14R0.393 CCCCCCOCCNC(=O)OCC 34a_100000158857_100000210314 [0,2,0,0,0,0|2,0,0]=4 14095 B14R0.393 CCCCCCOCCNC(=O)OCC 7a_100000210259_200011445536 [0,2,0,0,0,0|2,0,0]=4 14096 B14R0.393 CCCCCCSCCCC(=O)OCC 62a_100000210314_100009991533 [0,2,0,0,0,0|1,0,0]=3 14097 B14R0.393 CCCCCCSCCCC(=O)OCC 62a_100009991533_100000210757 [0,2,0,0,0,0|1,0,0]=3 14098 B14R0.393 CCCCCCSCCNC(=O)OCC 62a_100000210314_200011445536 [0,2,0,0,0,0|2,0,0]=4 14099 B14R0.393 CCCCCNCCCCC(=O)OCC 2230a_100000209983_100000750268 [0,2,0,0,0,0|1,0,0]=3 14100 B14R0.393 CCCCCNCCOCC(=O)NCO 34a_100000224656_100000185155 [0,2,0,0,0,0|2,0,0]=4 14101 B14R0.393 CCCCCNCCOCC(=O)OCC 2230a_100000209983_100000088970 [0,2,0,0,0,0|2,0,0]=4 14102 B14R0.393 CCCCCNCCOCC(=O)OCC 34a_100000224656_100000188475 [0,2,0,0,0,0|2,0,0]=4 14103 B14R0.393 CCCCCOCCCCC(=O)OCC 34a_100000210253_100000750268 [0,2,0,0,0,0|1,0,0]=3 14104 B14R0.393 CCCCCOCCCCC(=O)OCC 7a_100000210253_100000750268 [0,2,0,0,0,0|1,0,0]=3 14105 B14R0.393 CCCCCOCCOCC(=O)NCO 34a_100011215259_100000185155 [0,2,0,0,0,0|2,0,0]=4 14106 B14R0.393 CCCCCOCCOCC(=O)NCO 7a_100011215259_100000185155 [0,2,0,0,0,0|2,0,0]=4 14107 B14R0.393 CCCCCOCCOCC(=O)OCC 34a_100000210253_100000088970 [0,2,0,0,0,0|2,0,0]=4 14108 B14R0.393 CCCCCOCCOCC(=O)OCC 34a_100011215259_100000188475 [0,2,0,0,0,0|2,0,0]=4 14109 B14R0.393 CCCCCOCCOCC(=O)OCC 7a_100000210253_100000088970 [0,2,0,0,0,0|2,0,0]=4 14110 B14R0.393 CCCCCOCCOCC(=O)OCC 7a_100011215259_100000188475 [0,2,0,0,0,0|2,0,0]=4 14111 B14R0.393 CCCCCOCCSCC(=O)OCC 7a_200000230590_100000210326 [0,2,0,0,0,0|2,0,0]=4 14112 B14R0.393 CCCCCSCCCCC(=O)OCC 62a_100000210326_100000750268 [0,2,0,0,0,0|1,0,0]=3 14113 B14R0.393 CCCCCSCCCCC(=O)OCC 62a_100000750268_100000210326 [0,2,0,0,0,0|1,0,0]=3 14114 B14R0.393 CCCCCSCCOCC(=O)OCC 62a_100000088970_100000210326 [0,2,0,0,0,0|2,0,0]=4 14115 B14R0.393 CCCCCSCCOCC(=O)OCC 62a_100000210326_100000088970 [0,2,0,0,0,0|2,0,0]=4 14116 B14R0.393 CCCCNCCCCCC(=O)OCC 2230a_100000102301_100000755133 [0,2,0,0,0,0|1,0,0]=3 14117 B14R0.393 CCCCNCCCCCC(=O)OCC 7a_106832991798_100000755133 [0,2,0,0,0,0|1,0,0]=3 14118 B14R0.393 CCCCNCCCOCC(=O)OCC 2230a_100000102301_100009893628 [0,2,0,0,0,0|2,0,0]=4 14119 B14R0.393 CCCCNCCCOCC(=O)OCC 7a_106832991798_100009893628 [0,2,0,0,0,0|2,0,0]=4 14120 B14R0.393 CCCCOCCCCCC(=O)OCC 34a_100000210227_100000755133 [0,2,0,0,0,0|1,0,0]=3 14121 B14R0.393 CCCCOCCCCCC(=O)OCC 7a_100000210227_100000755133 [0,2,0,0,0,0|1,0,0]=3 14122 B14R0.393 CCCCOCCCCCC(=O)OCC 7a_100011214988_100000210211 [0,2,0,0,0,0|1,0,0]=3 14123 B14R0.393 CCCCOCCCNCC(=O)NCO 2230a_200000211371_100000185155 [0,2,0,0,0,0|2,0,0]=4 14124 B14R0.393 CCCCOCCCNCC(=O)NCO 34a_200000211371_100000185155 [0,2,0,0,0,0|2,0,0]=4 14125 B14R0.393 CCCCOCCCNCC(=O)OCC 2230a_200000211371_100000188475 [0,2,0,0,0,0|2,0,0]=4 14126 B14R0.393 CCCCOCCCNCC(=O)OCC 34a_200000211371_100000188475 [0,2,0,0,0,0|2,0,0]=4 14127 B14R0.393 CCCCOCCCOCC(=O)NCO 34a_200011215613_100000185155 [0,2,0,0,0,0|2,0,0]=4 14128 B14R0.393 CCCCOCCCOCC(=O)NCO 7a_200011215613_100000185155 [0,2,0,0,0,0|2,0,0]=4 14129 B14R0.393 CCCCOCCCOCC(=O)OCC 34a_100000210227_100009893628 [0,2,0,0,0,0|2,0,0]=4 14130 B14R0.393 CCCCOCCCOCC(=O)OCC 34a_200011215613_100000188475 [0,2,0,0,0,0|2,0,0]=4 14131 B14R0.393 CCCCOCCCOCC(=O)OCC 7a_100000210227_100009893628 [0,2,0,0,0,0|2,0,0]=4 14132 B14R0.393 CCCCOCCCOCC(=O)OCC 7a_200011215613_100000188475 [0,2,0,0,0,0|2,0,0]=4 14133 B14R0.393 CCCCOCCOCCC(=O)OCC 34a_100000210238_100000765890 [0,2,0,0,0,0|2,0,0]=4 14134 B14R0.393 CCCCOCCOCCC(=O)OCC 7a_100000210238_100011206558 [0,2,0,0,0,0|2,0,0]=4 14135 B14R0.393 CCCCOCCSCCC(=O)OCC 62a_100000743108_100000765890 [0,2,0,0,0,0|2,0,0]=4 14136 B14R0.393 CCCCOCCSCCC(=O)OCC 62a_100000765890_100000743108 [0,2,0,0,0,0|2,0,0]=4 14137 B14R0.393 CCCCOCSCCCC(=O)OCC 62a_100009991533_100011995733 [0,2,0,0,0,0|2,0,0]=4 14138 B14R0.393 CCCCOCSCCCC(=O)OCC 62a_100011995733_100009991533 [0,2,0,0,0,0|2,0,0]=4 14139 B14R0.393 CCCCSCCCCCC(=O)OCC 62a_100000210211_100000755133 [0,2,0,0,0,0|1,0,0]=3 14140 B14R0.393 CCCCSCCCCCC(=O)OCC 62a_100000755133_100000210210 [0,2,0,0,0,0|1,0,0]=3 14141 B14R0.393 CCCCSCCCOCC(=O)OCC 62a_100000210211_100009893628 [0,2,0,0,0,0|2,0,0]=4 14142 B14R0.393 CCCCSCCCOCC(=O)OCC 62a_100009893628_100000210210 [0,2,0,0,0,0|2,0,0]=4 14143 B14R0.393 CCCCSCCNCCC(=O)OCC 2230a_100025743550_100011206558 [0,2,0,0,0,0|2,0,0]=4 14144 B14R0.393 CCCCSCCOCCC(=O)OCC 34a_200000230436_100000765890 [0,2,0,0,0,0|2,0,0]=4 14145 B14R0.393 CCCCSCCOCCC(=O)OCC 7a_200000230436_100011206558 [0,2,0,0,0,0|2,0,0]=4 14146 B14R0.393 CCCOCCCCCCC(=O)OCC 34a_100000210258_100009814379 [0,2,0,0,0,0|1,0,0]=3 14147 B14R0.393 CCCOCCCNCCC(=O)OCC 2230a_100011217757_100011206558 [0,2,0,0,0,0|2,0,0]=4 14148 B14R0.393 CCCOCCCNCCC(=O)OCC 34a_100011217757_100000765890 [0,2,0,0,0,0|2,0,0]=4 14149 B14R0.393 CCCOCCNCCCC(=O)OCC 2230a_100161115042_100009991533 [0,2,0,0,0,0|2,0,0]=4 14150 B14R0.393 CCCOCCNCCCC(=O)OCC 34a_100161115042_100009991533 [0,2,0,0,0,0|2,0,0]=4 14151 B14R0.393 CCCOCCOCCCC(=O)OCC 34a_100000752267_100009991533 [0,2,0,0,0,0|2,0,0]=4 14152 B14R0.393 CCCOCCOCCCC(=O)OCC 7a_100000752267_100011215271 [0,2,0,0,0,0|2,0,0]=4 14153 B14R0.393 CCCOCCOCCCC(=O)OCC 7a_100012001163_100011215938 [0,2,0,0,0,0|2,0,0]=4 14154 B14R0.393 CCCOCCSCCCC(=O)OCC 62a_100009991533_100011215938 [0,2,0,0,0,0|2,0,0]=4 14155 B14R0.393 CCCOCCSCCCC(=O)OCC 62a_100011215938_100009991533 [0,2,0,0,0,0|2,0,0]=4 14156 B14R0.393 CCCSCCCCCCC(=O)OCC 62a_100000210303_100009814379 [0,2,0,0,0,0|1,0,0]=3 14157 B14R0.393 CCCSCCNCCCC(=O)OCC 2230a_100020603323_100009991533 [0,2,0,0,0,0|2,0,0]=4 14158 B14R0.393 CCCSCCOCCCC(=O)OCC 34a_200000230433_100009991533 [0,2,0,0,0,0|2,0,0]=4 14159 B14R0.393 CCCSCCOCCCC(=O)OCC 7a_200000230433_100011215271 [0,2,0,0,0,0|2,0,0]=4 14160 B14R0.393 CCNC(=O)CCCCCCCCCF 11a_100015525214_200009909015 [0,2,0,0,0,0|2,0,0]=4 14161 B14R0.393 CCNC(=O)CCCCCCCCCF 240690a_100015525214_200009909015 [0,2,0,0,0,0|2,0,0]=4 14162 B14R0.393 CCNC(=O)CCCCCCCCCF 527a_100015525214_200009909015 [0,2,0,0,0,0|2,0,0]=4 14163 B14R0.393 CCNC(=O)CCCCCCCCCO 240690a_100015525214_100000032657 [0,2,0,0,0,0|2,0,0]=4 14164 B14R0.393 CCNCCCCCCCC(=O)OCC 2230a_100015525214_100009991516 [0,2,0,0,0,0|1,0,0]=3 14165 B14R0.393 CCOC(=O)CCCCCCCCNC 2230a_106832991635_100010175975 [0,2,0,0,0,0|1,0,0]=3 14166 B14R0.393 CCOC(=O)CCCCCCCCNC 34a_100102657272_100010175975 [0,2,0,0,0,0|1,0,0]=3 14167 B14R0.393 CCOC(=O)CCCCCCCCNC 7a_106832991635_100010175975 [0,2,0,0,0,0|1,0,0]=3 14168 B14R0.393 CCOC(=O)CCCCCCCCOC 34a_100138415774_100010175975 [0,2,0,0,0,0|1,0,0]=3 14169 B14R0.393 CCOC(=O)CCCCCCCCSC 62a_200000210301_100010175975 [0,2,0,0,0,0|1,0,0]=3 14170 B14R0.393 CCOC(=O)CCCCCCCCS[13CH3] 62a_200025704644_100010175975 [0,2,0,0,0,0|1,0,0]=3 14171 B14R0.393 CCOC(=O)CCCCCCCSCC 62a_100000210202_100009991516 [0,2,0,0,0,0|1,0,0]=3 14172 B14R0.393 CCOC(=O)CCCCCCCSCF 62a_100015361967_100009991516 [0,2,0,0,0,0|2,0,0]=4 14173 B14R0.393 CCOC(=O)CCCCCCNCCF 34a_100000724931_100009814379 [0,2,0,0,0,0|2,0,0]=4 14174 B14R0.393 CCOC(=O)CCCCCCNCCO 2230a_100016997473_100009814379 [0,2,0,0,0,0|2,0,0]=4 14175 B14R0.393 CCOC(=O)CCCCCCNCCO 34a_100016990907_100009814379 [0,2,0,0,0,0|2,0,0]=4 14176 B14R0.393 CCOC(=O)CCCCCCOCCBr 34a_100000211926_100009814379 [0,2,0,0,0,0|2,0,0]=4 14177 B14R0.393 CCOC(=O)CCCCCCOCCN 34a_100000210304_100009814379 [0,2,0,0,0,0|2,0,0]=4 14178 B14R0.393 CCOC(=O)CCCCCCSCCF 62a_100011217306_100009814379 [0,2,0,0,0,0|2,0,0]=4 14179 B14R0.393 CCOC(=O)CCCCCCSCCO 62a_100000211926_100009814379 [0,2,0,0,0,0|2,0,0]=4 14180 B14R0.393 CCOC(=O)CCCCCCSCOC 62a_100000766300_100009814379 [0,2,0,0,0,0|2,0,0]=4 14181 B14R0.393 CCOC(=O)CCCCCCSCSC 62a_100011218213_100009814379 [0,2,0,0,0,0|2,0,0]=4 14182 B14R0.393 CCOC(=O)CCCCCNCCCF 2230a_100015189416_100000755133 [0,2,0,0,0,0|2,0,0]=4 14183 B14R0.393 CCOC(=O)CCCCCNCCCF 34a_100015189416_100000755133 [0,2,0,0,0,0|2,0,0]=4 14184 B14R0.393 CCOC(=O)CCCCCNCCOC 2230a_100000209980_100000755133 [0,2,0,0,0,0|2,0,0]=4 14185 B14R0.393 CCOC(=O)CCCCCNCCSC 2230a_100020590264_100000755133 [0,2,0,0,0,0|2,0,0]=4 14186 B14R0.393 CCOC(=O)CCCCCOCCCBr 34a_100011217188_100000755133 [0,2,0,0,0,0|2,0,0]=4 14187 B14R0.393 CCOC(=O)CCCCCOCCCCl 34a_100000230001_100000755133 [0,2,0,0,0,0|2,0,0]=4 14188 B14R0.393 CCOC(=O)CCCCCOCCCF 34a_100000759539_100000755133 [0,2,0,0,0,0|2,0,0]=4 14189 B14R0.393 CCOC(=O)CCCCCOCCCF 7a_100011214988_100011934791 [0,2,0,0,0,0|2,0,0]=4 14190 B14R0.393 CCOC(=O)CCCCCOCCCN 34a_100000182051_100000755133 [0,2,0,0,0,0|2,0,0]=4 14191 B14R0.393 CCOC(=O)CCCCCOCCCO 7a_100011214988_100011215043 [0,2,0,0,0,0|2,0,0]=4 14192 B14R0.393 CCOC(=O)CCCCCOCCOC 34a_100000210237_100000755133 [0,2,0,0,0,0|2,0,0]=4 14193 B14R0.393 CCOC(=O)CCCCCOCCOC 7a_100011214988_100000233755 [0,2,0,0,0,0|2,0,0]=4 14194 B14R0.393 CCOC(=O)CCCCCOCCSC 34a_100000230434_100000755133 [0,2,0,0,0,0|2,0,0]=4 14195 B14R0.393 CCOC(=O)CCCCCOCCSC 7a_100000230434_100000755133 [0,2,0,0,0,0|2,0,0]=4 14196 B14R0.393 CCOC(=O)CCCCCOCCSC 7a_100011214988_100000212216 [0,2,0,0,0,0|2,0,0]=4 14197 B14R0.393 CCOC(=O)CCCCCSCCCF 62a_100000755133_100011934791 [0,2,0,0,0,0|2,0,0]=4 14198 B14R0.393 CCOC(=O)CCCCCSCCCF 62a_100011934791_100000755133 [0,2,0,0,0,0|2,0,0]=4 14199 B14R0.393 CCOC(=O)CCCCCSCCCO 62a_100000755133_100011215043 [0,2,0,0,0,0|2,0,0]=4 14200 B14R0.393 CCOC(=O)CCCCCSCCCO 62a_100011215043_100000755133 [0,2,0,0,0,0|2,0,0]=4 14201 B14R0.393 CCOC(=O)CCCCCSCCOC 62a_100000233755_100000755133 [0,2,0,0,0,0|2,0,0]=4 14202 B14R0.393 CCOC(=O)CCCCCSCCOC 62a_100000755133_100000233755 [0,2,0,0,0,0|2,0,0]=4 14203 B14R0.393 CCOC(=O)CCCCCSCCSC 62a_100000212216_100000755133 [0,2,0,0,0,0|2,0,0]=4 14204 B14R0.393 CCOC(=O)CCCCCSCCSC 62a_100000755133_100000751147 [0,2,0,0,0,0|2,0,0]=4 14205 B14R0.393 CCOC(=O)CCCCNCCCCO 2230a_100000750430_100000750268 [0,2,0,0,0,0|2,0,0]=4 14206 B14R0.393 CCOC(=O)CCCCNCCCCO 34a_100000750430_100000750268 [0,2,0,0,0,0|2,0,0]=4 14207 B14R0.393 CCOC(=O)CCCCNCCCOC 34a_100150723488_100000750268 [0,2,0,0,0,0|2,0,0]=4 14208 B14R0.393 CCOC(=O)CCCCNCCCSC 2230a_100000749238_100000750268 [0,2,0,0,0,0|2,0,0]=4 14209 B14R0.393 CCOC(=O)CCCCNCCSCC 2230a_100000106463_100000750268 [0,2,0,0,0,0|2,0,0]=4 14210 B14R0.393 CCOC(=O)CCCCOCCCCBr 34a_100011216708_100000750268 [0,2,0,0,0,0|2,0,0]=4 14211 B14R0.393 CCOC(=O)CCCCOCCCCCl 34a_100000210776_100000750268 [0,2,0,0,0,0|2,0,0]=4 14212 B14R0.393 CCOC(=O)CCCCOCCCCCl 7a_100000210776_100000750268 [0,2,0,0,0,0|2,0,0]=4 14213 B14R0.393 CCOC(=O)CCCCOCCCCF 34a_100011995726_100000750268 [0,2,0,0,0,0|2,0,0]=4 14214 B14R0.393 CCOC(=O)CCCCOCCCCF 7a_100011995726_100000750268 [0,2,0,0,0,0|2,0,0]=4 14215 B14R0.393 CCOC(=O)CCCCOCCCCI 34a_200012148704_100000750268 [0,2,0,0,0,0|2,0,0]=4 14216 B14R0.393 CCOC(=O)CCCCOCCCCN 34a_100000750430_100000750268 [0,2,0,0,0,0|2,0,0]=4 14217 B14R0.393 CCOC(=O)CCCCOCCCNC 34a_100000213112_100000750268 [0,2,0,0,0,0|2,0,0]=4 14218 B14R0.393 CCOC(=O)CCCCOCCCOC 34a_100000740835_100000750268 [0,2,0,0,0,0|2,0,0]=4 14219 B14R0.393 CCOC(=O)CCCCOCCCSC 34a_100000690336_100000750268 [0,2,0,0,0,0|2,0,0]=4 14220 B14R0.393 CCOC(=O)CCCCOCCCSC 7a_100000690336_100000750268 [0,2,0,0,0,0|2,0,0]=4 14221 B14R0.393 CCOC(=O)CCCCOCCSCC 34a_100000212035_100000750268 [0,2,0,0,0,0|2,0,0]=4 14222 B14R0.393 CCOC(=O)CCCCOCCSCC 7a_100000212035_100000750268 [0,2,0,0,0,0|2,0,0]=4 14223 B14R0.393 CCOC(=O)CCCCSCCCCF 62a_100000729493_100000750268 [0,2,0,0,0,0|2,0,0]=4 14224 B14R0.393 CCOC(=O)CCCCSCCCCF 62a_100000750268_100000729493 [0,2,0,0,0,0|2,0,0]=4 14225 B14R0.393 CCOC(=O)CCCCSCCCCO 62a_100000210776_100000750268 [0,2,0,0,0,0|2,0,0]=4 14226 B14R0.393 CCOC(=O)CCCCSCCCCO 62a_100000750268_100000210776 [0,2,0,0,0,0|2,0,0]=4 14227 B14R0.393 CCOC(=O)CCCCSCCCOC 62a_100000709357_100000750268 [0,2,0,0,0,0|2,0,0]=4 14228 B14R0.393 CCOC(=O)CCCCSCCCOC 62a_100000750268_100000709357 [0,2,0,0,0,0|2,0,0]=4 14229 B14R0.393 CCOC(=O)CCCCSCCSCC 62a_100000750268_100000757381 [0,2,0,0,0,0|2,0,0]=4 14230 B14R0.393 CCOC(=O)CCCCSCCSCC 62a_100000757381_100000750268 [0,2,0,0,0,0|2,0,0]=4 14231 B14R0.393 CCOC(=O)CCCNCCCCCO 2230a_100000762737_100009991533 [0,2,0,0,0,0|2,0,0]=4 14232 B14R0.393 CCOC(=O)CCCNCCCCCO 34a_100000762737_100009991533 [0,2,0,0,0,0|2,0,0]=4 14233 B14R0.393 CCOC(=O)CCCOCCCCCBr 34a_100000746331_100009991533 [0,2,0,0,0,0|2,0,0]=4 14234 B14R0.393 CCOC(=O)CCCOCCCCCBr 7a_100000746331_100011215271 [0,2,0,0,0,0|2,0,0]=4 14235 B14R0.393 CCOC(=O)CCCOCCCCCCl 34a_100000746330_100009991533 [0,2,0,0,0,0|2,0,0]=4 14236 B14R0.393 CCOC(=O)CCCOCCCCCCl 7a_100000746330_100011215271 [0,2,0,0,0,0|2,0,0]=4 14237 B14R0.393 CCOC(=O)CCCOCCCCCF 7a_100012001163_100000729378 [0,2,0,0,0,0|2,0,0]=4 14238 B14R0.393 CCOC(=O)CCCOCCCCCI 34a_200012148887_100009991533 [0,2,0,0,0,0|2,0,0]=4 14239 B14R0.393 CCOC(=O)CCCOCCCCCI 7a_200012148887_100011215271 [0,2,0,0,0,0|2,0,0]=4 14240 B14R0.393 CCOC(=O)CCCOCCCCCN 34a_100000762737_100009991533 [0,2,0,0,0,0|2,0,0]=4 14241 B14R0.393 CCOC(=O)CCCOCCCCCO 7a_100012001163_100000746330 [0,2,0,0,0,0|2,0,0]=4 14242 B14R0.393 CCOC(=O)CCCOCCCCOC 34a_100000740925_100009991533 [0,2,0,0,0,0|2,0,0]=4 14243 B14R0.393 CCOC(=O)CCCOCCCCOC 7a_100012001163_100000730899 [0,2,0,0,0,0|2,0,0]=4 14244 B14R0.393 CCOC(=O)CCCOCCCCSC 34a_100011217163_100009991533 [0,2,0,0,0,0|2,0,0]=4 14245 B14R0.393 CCOC(=O)CCCOCCCCSC 7a_100011217163_100011215271 [0,2,0,0,0,0|2,0,0]=4 14246 B14R0.393 CCOC(=O)CCCOCCCSCC 34a_100011216438_100009991533 [0,2,0,0,0,0|2,0,0]=4 14247 B14R0.393 CCOC(=O)CCCOCCCSCC 7a_100011216438_100011215271 [0,2,0,0,0,0|2,0,0]=4 14248 B14R0.393 CCOC(=O)CCCSCCCCCF 62a_100000729378_100009991533 [0,2,0,0,0,0|2,0,0]=4 14249 B14R0.393 CCOC(=O)CCCSCCCCCF 62a_100009991533_100000729378 [0,2,0,0,0,0|2,0,0]=4 14250 B14R0.393 CCOC(=O)CCCSCCCCCO 62a_100000746330_100009991533 [0,2,0,0,0,0|2,0,0]=4 14251 B14R0.393 CCOC(=O)CCCSCCCCCO 62a_100009991533_100000746330 [0,2,0,0,0,0|2,0,0]=4 14252 B14R0.393 CCOC(=O)CCCSCCCCOC 62a_100000730899_100009991533 [0,2,0,0,0,0|2,0,0]=4 14253 B14R0.393 CCOC(=O)CCCSCCCCOC 62a_100009991533_100000730899 [0,2,0,0,0,0|2,0,0]=4 14254 B14R0.393 CCOC(=O)CCNCCCCCCO 2230a_100000686447_100011206558 [0,2,0,0,0,0|2,0,0]=4 14255 B14R0.393 CCOC(=O)CCNCCCCCCO 34a_100000686447_100000765890 [0,2,0,0,0,0|2,0,0]=4 14256 B14R0.393 CCOC(=O)CCNCCCCCOC 2230a_100000747528_100011206558 [0,2,0,0,0,0|2,0,0]=4 14257 B14R0.393 CCOC(=O)CCNCCCCCOC 34a_100000747528_100000765890 [0,2,0,0,0,0|2,0,0]=4 14258 B14R0.393 CCOC(=O)CCOCCCCCCBr 34a_100011215345_100000765890 [0,2,0,0,0,0|2,0,0]=4 14259 B14R0.393 CCOC(=O)CCOCCCCCCBr 7a_100011215345_100011206558 [0,2,0,0,0,0|2,0,0]=4 14260 B14R0.393 CCOC(=O)CCOCCCCCCCl 34a_100000766143_100000765890 [0,2,0,0,0,0|2,0,0]=4 14261 B14R0.393 CCOC(=O)CCOCCCCCCCl 7a_100000766143_100011206558 [0,2,0,0,0,0|2,0,0]=4 14262 B14R0.393 CCOC(=O)CCOCCCCCCF 34a_100000732779_100000765890 [0,2,0,0,0,0|2,0,0]=4 14263 B14R0.393 CCOC(=O)CCOCCCCCCF 7a_100000732779_100011206558 [0,2,0,0,0,0|2,0,0]=4 14264 B14R0.393 CCOC(=O)CCOCCCCCCN 34a_100000686447_100000765890 [0,2,0,0,0,0|2,0,0]=4 14265 B14R0.393 CCOC(=O)CCOCCCCCNC 34a_100000722520_100000765890 [0,2,0,0,0,0|2,0,0]=4 14266 B14R0.393 CCOC(=O)CCSCCCCCCF 62a_100000765890_100015922095 [0,2,0,0,0,0|2,0,0]=4 14267 B14R0.393 CCOC(=O)CCSCCCCCCF 62a_100015922095_100000765890 [0,2,0,0,0,0|2,0,0]=4 14268 B14R0.393 CCOC(=O)CCSCCCCCCO 62a_100000765890_100000766143 [0,2,0,0,0,0|2,0,0]=4 14269 B14R0.393 CCOC(=O)CCSCCCCCCO 62a_100000766143_100000765890 [0,2,0,0,0,0|2,0,0]=4 14270 B14R0.393 CCOC(=O)CNCCCCCCCO 2230a_100011996573_100000188475 [0,2,0,0,0,0|2,0,0]=4 14271 B14R0.393 CCOC(=O)CNCCCCCCCO 34a_100011996573_100000188475 [0,2,0,0,0,0|2,0,0]=4 14272 B14R0.393 CCOC(=O)COCCCCCCCBr 34a_100000760002_100000188475 [0,2,0,0,0,0|2,0,0]=4 14273 B14R0.393 CCOC(=O)COCCCCCCCBr 7a_100000760002_100000188475 [0,2,0,0,0,0|2,0,0]=4 14274 B14R0.393 CCOC(=O)COCCCCCCCN 34a_100011996573_100000188475 [0,2,0,0,0,0|2,0,0]=4 14275 B14R0.393 CCOC(=O)COCCCCCCOC 34a_200012092642_100000188475 [0,2,0,0,0,0|2,0,0]=4 14276 B14R0.393 CCOC(=O)COCCCCCCOC 7a_200012092642_100000188475 [0,2,0,0,0,0|2,0,0]=4 14277 B14R0.393 CCOC(=O)CSCCCCCCCO 62a_100000188475_100000760002 [0,2,0,0,0,0|2,0,0]=4 14278 B14R0.393 CCOC(=O)CSCCCCCCCO 62a_100000760002_100000188475 [0,2,0,0,0,0|2,0,0]=4 14279 B14R0.393 CCOC(=O)CSCCCCCCOC 62a_100000188475_100011998445 [0,2,0,0,0,0|2,0,0]=4 14280 B14R0.393 CCOC(=O)CSCCCCCCOC 62a_100011998445_100000188475 [0,2,0,0,0,0|2,0,0]=4 14281 B14R0.393 CCOCCCCCCCC(=O)OCC 34a_100121572206_100009991516 [0,2,0,0,0,0|1,0,0]=3 14282 B14R0.393 CCOCCCNCCCC(=O)OCC 2230a_100000210961_100009991533 [0,2,0,0,0,0|2,0,0]=4 14283 B14R0.393 CCOCCCNCCCC(=O)OCC 34a_100000210961_100009991533 [0,2,0,0,0,0|2,0,0]=4 14284 B14R0.393 CCOCCCOCCCC(=O)OCC 34a_100000757476_100009991533 [0,2,0,0,0,0|2,0,0]=4 14285 B14R0.393 CCOCCCOCCCC(=O)OCC 7a_100000757476_100011215271 [0,2,0,0,0,0|2,0,0]=4 14286 B14R0.393 CCOCCCOCCCC(=O)OCC 7a_100012001163_100012232248 [0,2,0,0,0,0|2,0,0]=4 14287 B14R0.393 CCOCCCSCCCC(=O)OCC 62a_100009991533_100012232248 [0,2,0,0,0,0|2,0,0]=4 14288 B14R0.393 CCOCCCSCCCC(=O)OCC 62a_100012232248_100009991533 [0,2,0,0,0,0|2,0,0]=4 14289 B14R0.393 CCOCCNCCCCC(=O)OCC 2230a_102516460346_100000750268 [0,2,0,0,0,0|2,0,0]=4 14290 B14R0.393 CCOCCNCCCCC(=O)OCC 34a_102516460346_100000750268 [0,2,0,0,0,0|2,0,0]=4 14291 B14R0.393 CCOCCOCCCCC(=O)OCC 34a_100000210136_100000750268 [0,2,0,0,0,0|2,0,0]=4 14292 B14R0.393 CCOCCOCCCCC(=O)OCC 7a_100000210136_100000750268 [0,2,0,0,0,0|2,0,0]=4 14293 B14R0.393 CCOCCSCCCCC(=O)OCC 62a_100000210147_100000750268 [0,2,0,0,0,0|2,0,0]=4 14294 B14R0.393 CCOCCSCCCCC(=O)OCC 62a_100000750268_100011215890 [0,2,0,0,0,0|2,0,0]=4 14295 B14R0.393 CCOCSCCCCCC(=O)OCC 62a_100000739092_100000755133 [0,2,0,0,0,0|2,0,0]=4 14296 B14R0.393 CCOCSCCCCCC(=O)OCC 62a_100000755133_100000739092 [0,2,0,0,0,0|2,0,0]=4 14297 B14R0.393 CNNC(=O)CCCCCCCCCF 22a_100016993582_200009909015 [0,2,0,0,0,0|2,0,0]=4 14298 B14R0.393 CNNC(=O)CCCCCCCCCO 22a_100016993582_100000032657 [0,2,0,0,0,0|2,0,0]=4 14299 B14R0.393 COCC(=O)CCCCCCCCCO 1458a_100000210968_100009813782 [0,2,0,0,0,0|1,0,0]=3 14300 B14R0.393 COCC(=O)NCCCCCCCCO 240690a_102515433106_100000210968 [0,2,0,0,0,0|2,0,0]=4 14301 B14R0.393 COCCCCCCOCC(=O)NCO 34a_200012092642_100000185155 [0,2,0,0,0,0|2,0,0]=4 14302 B14R0.393 COCCCCCCOCC(=O)NCO 7a_200012092642_100000185155 [0,2,0,0,0,0|2,0,0]=4 14303 B14R0.393 COCCCCCCSCC(=O)NCO 62a_100000185155_100011998445 [0,2,0,0,0,0|2,0,0]=4 14304 B14R0.393 COCCCCCCSCC(=O)NCO 62a_100011998445_100000185155 [0,2,0,0,0,0|2,0,0]=4 14305 B14R0.393 CSCC(=O)CCCCCCCCCO 1458a_100000184570_100009813782 [0,2,0,0,0,0|1,1,0]=4 14306 B14R0.393 N#CCC(=O)CCCCCCCCCF 1458a_200009909015_100011214920 [0,2,0,0,0,0|2,0,0]=4 14307 B14R0.393 N#CCC(=O)CCCCCCCCCO 1458a_100051588842_100009813782 [0,2,0,0,0,0|2,0,0]=4 14308 B14R0.393 NCCCCCCCOCC(=O)NCO 34a_100011996573_100000185155 [0,2,0,0,0,0|2,0,0]=4 14309 B14R0.393 O=C(C=CBr)CCCCCCCCCO 1458a_100016273825_100009813782 [0,2,0,0,0,0|2,0,0]=4 14310 B14R0.393 O=C(C=CCl)CCCCCCCCCO 1458a_200016279998_100009813782 [0,2,0,0,0,0|2,0,0]=4 14311 B14R0.393 O=C(C=CI)CCCCCCCCCO 1458a_100016256311_100009813782 [0,2,0,0,0,0|2,0,0]=4 14312 B14R0.393 O=C(CCF)CCCCCCCCCF 1458a_200009909015_100011217306 [0,2,0,0,0,0|2,0,0]=4 14313 B14R0.393 O=C(CCO)CCCCCCCCCF 1458a_200009909015_100000211926 [0,2,0,0,0,0|1,0,0]=3 14314 B14R0.393 O=C(CCO)CCCCCCCCCO 1458a_100011216618_100009813782 [0,2,0,0,0,0|1,0,0]=3 14315 B14R0.393 O=C(CCO)NCCCCCCCCO 240690a_102515433106_100011216618 [0,2,0,0,0,0|2,0,0]=4 14316 B14R0.393 O=C(CNCCCCCCCO)NCO 2230a_100011996573_100000185155 [0,2,0,0,0,0|2,0,0]=4 14317 B14R0.393 O=C(CNCCCCCCCO)NCO 34a_100011996573_100000185155 [0,2,0,0,0,0|2,0,0]=4 14318 B14R0.393 O=C(COCCCCCCCBr)NCO 34a_100000760002_100000185155 [0,2,0,0,0,0|2,0,0]=4 14319 B14R0.393 O=C(COCCCCCCCBr)NCO 7a_100000760002_100000185155 [0,2,0,0,0,0|2,0,0]=4 14320 B14R0.393 O=C(CSCCCCCCCO)NCO 62a_100000185155_100000760002 [0,2,0,0,0,0|2,0,0]=4 14321 B14R0.393 O=C(CSCCCCCCCO)NCO 62a_100000760002_100000185155 [0,2,0,0,0,0|2,0,0]=4 14322 B14R0.2056 CCCCCCCCCCS(=O)(=O)NC 270084a_100102657272_200011217601 [0,2,0,0,0,0|1,0,1]=4 14323 B14R0.2056 CCCCCCCCCCS(=O)(=O)NC 274078a_100102657272_200011217601 [0,2,0,0,0,0|1,0,1]=4 14324 B14R0.92 CCCCCCCC(C)N[C@@H](C)C(=O)O 269956a_100000743915_200011218727 [0,2,0,0,0,0|1,0,0]=3 14325 B14R0.92 CCCCCCCC(C)N[C@H](C)C(=O)N 2230a_100000119354_200011218727 [0,2,0,0,0,0|2,0,0]=4 14326 B14R0.92 CCCCCCCC(C)N[C@H](C)C(=O)N 270004a_100000119354_100000210596 [0,2,0,0,0,0|2,0,0]=4 14327 B14R0.92 CCCCCCCC(C)N[C@H](C)C(=O)N 34a_100000119354_200011218727 [0,2,0,0,0,0|2,0,0]=4 14328 B14R0.92 CCCCCCCC(C)OC(C)C(=O)C 34a_100000212229_200011218727 [0,2,0,0,0,0|2,0,0]=4 14329 B14R0.92 CCCCCCCC(C)OC(C)C(=O)C 7a_200011215852_100000179758 [0,2,0,0,0,0|2,0,0]=4 14330 B14R0.92 CCCCCCCC(C)OC(C)C(=O)N 34a_200011215852_100000702099 [0,2,0,0,0,0|2,0,0]=4 14331 B14R0.92 CCCCCCCC(C)OC(C)C(=O)N 7a_200011215852_100000702099 [0,2,0,0,0,0|2,0,0]=4 14332 B14R0.92 CCCCCCCC(C)OC(F)C(=O)N 34a_200011215852_100009813875 [0,2,0,0,0,0|2,0,0]=4 14333 B14R0.92 CCCCCCCC(C)OC(F)C(=O)N 7a_200011215852_100009813875 [0,2,0,0,0,0|2,0,0]=4 14334 B14R0.92 CCCCCCCC(C)OC(F)C(=O)[O-] 34a_200011215852_100020610796 [0,2,0,0,0,0|1,0,1]=4 14335 B14R0.92 CCCCCCCC(C)O[C@@H](C)C(=O)[O-] 7a_217856618621_200011218727 [0,2,0,0,0,0|1,0,1]=4 14336 B14R0.92 CCCCCCCC(C)O[C@H](C)C(=O)N 34a_100000731257_200011218727 [0,2,0,0,0,0|2,0,0]=4 14337 B14R0.92 CCCCCCCC(C)O[C@H](C)C(=O)N 7a_100000731257_200011218727 [0,2,0,0,0,0|2,0,0]=4 14338 B14R0.92 CCCCCCCC(C)SC(C)C(=O)C 62a_100009814033_200011218727 [0,2,0,0,0,0|2,0,0]=4 14339 B14R0.92 CCCCCCCC(C)SC(C)C(=O)C 62a_200011218727_100009814033 [0,2,0,0,0,0|2,0,0]=4 14340 B14R0.92 CCCCCCCC(C)SC(C)C(=O)N 62a_100000702099_200011218727 [0,2,0,0,0,0|2,0,0]=4 14341 B14R0.92 CCCCCCCC(C)SC(C)C(=O)N 62a_200011218727_100000702099 [0,2,0,0,0,0|2,0,0]=4 14342 B14R0.92 CCCCCCCC(C)SC(F)C(=O)N 62a_100009813875_200011218727 [0,2,0,0,0,0|2,0,0]=4 14343 B14R0.92 CCCCCCCC(C)SC(F)C(=O)N 62a_200011218727_100009813875 [0,2,0,0,0,0|2,0,0]=4 14344 B14R0.92 CCCCCCCC(C)SC(F)C(=O)[O-] 62a_100020610796_200011218727 [0,2,0,0,0,0|1,0,1]=4 14345 B14R0.92 CCCCCCCC(C)SC(F)C(=O)[O-] 62a_200011218727_100020610796 [0,2,0,0,0,0|1,0,1]=4 14346 B14R0.178 CC(C(=O)O)N(C)CCCCCCCO 269956a_100000749554_100000760002 [0,2,0,0,0,0|2,0,0]=4 14347 B14R0.178 CCCCCCCCC(=O)C(C)C(=O)C 1458a_100000210188_100000179758 [0,2,0,0,0,0|1,0,1]=4 14348 B14R0.178 CCCCCCCCC(=O)C(C)C(=O)N 1458a_100000210188_100000702099 [0,2,0,0,0,0|1,0,1]=4 14349 B14R0.178 CCCCCCCCC(=O)C(F)C(=O)N 1458a_100000210188_100009813875 [0,2,0,0,0,0|1,0,1]=4 14350 B14R0.178 CCCCCCCCC(=O)C(F)C(=O)[O-] 1458a_100000210188_100020610796 [0,2,0,0,0,0|0,0,2]=4 14351 B14R0.178 CCCCCCCCN(C)C(C)C(=O)C 2230a_100000207567_100009814033 [0,2,0,0,0,0|2,0,0]=4 14352 B14R0.178 CCCCCCCCN(C)C(C)C(=O)C 269982a_100000207567_100009814033 [0,2,0,0,0,0|2,0,0]=4 14353 B14R0.178 CCCCCCCCN(C)C(C)C(=O)N 2230a_100000207567_100000702099 [0,2,0,0,0,0|2,0,0]=4 14354 B14R0.178 CCCCCCCCN(C)C(C)C(=O)N 269982a_100000207567_100000184083 [0,2,0,0,0,0|2,0,0]=4 14355 B14R0.178 CCCCCCCCN(C)C(C)C(=O)O 269956a_100000749554_100000210759 [0,2,0,0,0,0|1,0,0]=3 14356 B14R0.178 CCCCCCCCN(C)C(F)C(=O)N 2230a_100000207567_100009813875 [0,2,0,0,0,0|2,0,0]=4 14357 B14R0.178 CCCCCCCCN(C)C(F)C(=O)N 269982a_100000207567_100009813875 [0,2,0,0,0,0|2,0,0]=4 14358 B14R0.178 CCCCCCCO[C@H](C)[C@H](N)C(=O)N 34a_100000003557_100000210614 [0,2,0,0,0,0|2,0,0]=4 14359 B14R0.178 COCCCCCCN(C)C(C)C(=O)O 269956a_100000749554_100011998445 [0,2,0,0,0,0|2,0,0]=4 14360 B14R0.229 CCCCCC(=O)CNCC(C)C(=O)O 269956a_100000749485_200012276598 [0,2,0,0,0,0|1,0,1]=4 14361 B14R0.229 CCCCCC(=O)CNCC(F)C(=O)O 269956a_100000084737_200012276598 [0,2,0,0,0,0|1,0,1]=4 14362 B14R0.488 C=C[C@H](NCCCCCCCC)C(=O)O 269956a_100016992060_100000210759 [0,2,0,0,0,0|1,0,0]=3 14363 B14R0.488 C=C[C@H](NCCCCCCCO)C(=O)O 269956a_100016992060_100000760002 [0,2,0,0,0,0|2,0,0]=4 14364 B14R0.488 C=C[C@H](NCCCCCCOC)C(=O)O 269956a_100016992060_100011998445 [0,2,0,0,0,0|2,0,0]=4 14365 B14R0.488 CCCCCCCCNC(C#N)C(=O)N 2230a_100000039599_100000210759 [0,2,0,0,0,0|2,0,0]=4 14366 B14R0.488 CCCCCCCCNC(CC)C(=O)N 2230a_100000229939_100000750255 [0,2,0,0,0,0|2,0,0]=4 14367 B14R0.488 CCCCCCCCNC(CC)C(=O)N 2230a_100000733705_100000210759 [0,2,0,0,0,0|2,0,0]=4 14368 B14R0.488 CCCCCCCCNC(CC)C(=O)N 34a_100000229939_100000750255 [0,2,0,0,0,0|2,0,0]=4 14369 B14R0.488 CCCCCCCCNC(CC)C(=O)N 34a_100000733705_100000210759 [0,2,0,0,0,0|2,0,0]=4 14370 B14R0.488 CCCCCCCCNC(CO)C(=O)O 269956a_100000187304_100000210759 [0,2,0,0,0,0|1,0,0]=3 14371 B14R0.488 CCCCCCCCN[C@@H](CO)C(=O)N 2230a_100000729942_100000210759 [0,2,0,0,0,0|2,0,0]=4 14372 B14R0.488 CCCCCCCCN[C@@H](CO)C(=O)N 34a_100000729942_100000210759 [0,2,0,0,0,0|2,0,0]=4 14373 B14R0.488 CCCCCCCCN[C@H](CC)C(=O)O 269956a_100000747097_100000210759 [0,2,0,0,0,0|1,0,0]=3 14374 B14R0.488 CCCCCCCCOC(CC)C(=O)N 34a_100000210232_100000750255 [0,2,0,0,0,0|2,0,0]=4 14375 B14R0.488 CCCCCCCCOC(CC)C(=O)N 7a_100000210232_100000750255 [0,2,0,0,0,0|2,0,0]=4 14376 B14R0.488 CCCCCCCCSC(CC)C(=O)N 62a_100000210759_100000750255 [0,2,0,0,0,0|2,0,0]=4 14377 B14R0.488 CCCCCCCCSC(CC)C(=O)N 62a_100000750255_100000210317 [0,2,0,0,0,0|2,0,0]=4 14378 B14R0.488 CC[C@@H](NCCCCCCCO)C(=O)O 269956a_100000747097_100000760002 [0,2,0,0,0,0|2,0,0]=4 14379 B14R0.488 CC[C@@H](NCCCCCCOC)C(=O)O 269956a_100000747097_100011998445 [0,2,0,0,0,0|2,0,0]=4 14380 B14R0.488 COCCCCCCNC(CO)C(=O)O 269956a_100000187304_100011998445 [0,2,0,0,0,0|2,0,0]=4 14381 B14R0.488 O=C(O)C(CO)NCCCCCCCO 269956a_100000187304_100000760002 [0,2,0,0,0,0|2,0,0]=4 14382 B14R0.534 CCC(C)CCCCCOC(C)C(=O)C 7a_200000035636_100000179758 [0,2,0,0,0,0|2,0,0]=4 14383 B14R0.534 CCC(C)CCCCCOC(C)C(=O)N 7a_200000035636_100000702099 [0,2,0,0,0,0|2,0,0]=4 14384 B14R0.534 CCC(C)CCCCCOC(F)C(=O)N 7a_200000035636_100009813875 [0,2,0,0,0,0|2,0,0]=4 14385 B14R0.549 CC(=O)C(C)COCCCCCC(C)C 34a_100000032740_100000210682 [0,2,0,0,0,0|2,0,0]=4 14386 B14R0.549 CC(=O)C(C)COCCCCCC(C)C 7a_100000032740_100000210682 [0,2,0,0,0,0|2,0,0]=4 14387 B14R0.549 CC(=O)C(C)NCCCCCCC(C)C 2230a_100000211014_100009814033 [0,2,0,0,0,0|2,0,0]=4 14388 B14R0.549 CC(=O)CCCCOCCC(N)C(C)C 34a_100161115045_100009817362 [0,2,0,0,0,0|2,0,0]=4 14389 B14R0.549 CC(C)C(O)CNCCCCCC(=O)N 2230a_100000759067_100009817443 [0,2,0,0,0,0|2,0,0]=4 14390 B14R0.549 CC(C)C(O)CNCCCCCC(=O)N 34a_100000759067_100009817443 [0,2,0,0,0,0|2,0,0]=4 14391 B14R0.549 CC(C)CCCCCCNC(C)C(=O)N 2230a_100000211014_100000702099 [0,2,0,0,0,0|2,0,0]=4 14392 B14R0.549 CC(C)CCCCCCNC(C)C(=O)N 34a_100000211014_100000702099 [0,2,0,0,0,0|2,0,0]=4 14393 B14R0.549 CC(C)CCCCCCNC(F)C(=O)N 2230a_100000211014_100009813875 [0,2,0,0,0,0|2,0,0]=4 14394 B14R0.549 CC(C)CCCCCCNC(F)C(=O)N 34a_100000211014_100009813875 [0,2,0,0,0,0|2,0,0]=4 14395 B14R0.549 CC(C)CCCCCCNC(F)C(=O)[O-] 34a_100000211014_100020610796 [0,2,0,0,0,0|1,0,1]=4 14396 B14R0.549 CC(C)CCCCCNCC(C)C(=O)O 269956a_100000749485_100000210682 [0,2,0,0,0,0|1,0,0]=3 14397 B14R0.549 CC(C)CCCCCNCC(F)C(=O)O 269956a_100000084737_100000210682 [0,2,0,0,0,0|1,0,0]=3 14398 B14R0.549 CC(C)CCCCCOC[C@H](N)C(=O)N 34a_100000729942_100000210682 [0,2,0,0,0,0|2,0,0]=4 14399 B14R0.549 CC(C)[C@@H](N)COCCCCCC(=O)N 34a_100011830312_100009817443 [0,2,0,0,0,0|2,0,0]=4 14400 B14R0.2298 CC(C)(CNCCCCCCF)C(=O)O 269956a_100000693527_100015922095 [0,2,0,0,0,0|2,0,0]=4 14401 B14R0.2298 CC(C)(CNCCCCCCO)C(=O)O 269956a_100000693527_100000766143 [0,2,0,0,0,0|2,0,0]=4 14402 B14R0.2298 CCCCCCCCNC(C)(C)C(=O)N 2230a_100000229939_100000702505 [0,2,0,0,0,0|2,0,0]=4 14403 B14R0.2298 CCCCCCCCNC(C)(C)C(=O)N 2230a_100000743658_100000210759 [0,2,0,0,0,0|2,0,0]=4 14404 B14R0.2298 CCCCCCCCNC(C)(C)C(=O)N 34a_100000229939_100000702505 [0,2,0,0,0,0|2,0,0]=4 14405 B14R0.2298 CCCCCCCCNC(C)(C)C(=O)N 34a_100000743658_100000210759 [0,2,0,0,0,0|2,0,0]=4 14406 B14R0.2298 CCCCCCCCNC(F)(F)C(=O)[O-] 34a_100000229939_100020612412 [0,2,0,0,0,0|1,0,1]=4 14407 B14R0.2298 CCCCCCCCOC(C)(C)C(=O)C 34a_100000747739_100000210759 [0,2,0,0,0,0|2,0,0]=4 14408 B14R0.2298 CCCCCCCCOC(C)(C)C(=O)C 7a_100000210232_100000075568 [0,2,0,0,0,0|2,0,0]=4 14409 B14R0.2298 CCCCCCCCOC(C)(C)C(=O)C 7a_100000747739_100000210759 [0,2,0,0,0,0|2,0,0]=4 14410 B14R0.2298 CCCCCCCCOC(C)(C)C(=O)N 34a_100000210232_100000702505 [0,2,0,0,0,0|2,0,0]=4 14411 B14R0.2298 CCCCCCCCOC(C)(C)C(=O)N 34a_100011626353_100000210759 [0,2,0,0,0,0|2,0,0]=4 14412 B14R0.2298 CCCCCCCCOC(C)(C)C(=O)N 7a_100000210232_100000702505 [0,2,0,0,0,0|2,0,0]=4 14413 B14R0.2298 CCCCCCCCOC(C)(C)C(=O)N 7a_100011626353_100000210759 [0,2,0,0,0,0|2,0,0]=4 14414 B14R0.2298 CCCCCCCCOC(F)(F)C(=O)N 7a_100000210232_100009811971 [0,2,0,0,0,0|2,0,0]=4 14415 B14R0.2298 CCCCCCCCOC(F)(F)C(=O)[O-] 34a_100000210232_100020612412 [0,2,0,0,0,0|1,0,1]=4 14416 B14R0.2298 CCCCCCCCSC(C)(C)C(=O)C 62a_100000075568_100000210317 [0,2,0,0,0,0|2,0,0]=4 14417 B14R0.2298 CCCCCCCCSC(C)(C)C(=O)C 62a_100000210759_100000075568 [0,2,0,0,0,0|2,0,0]=4 14418 B14R0.2298 CCCCCCCCSC(C)(C)C(=O)N 62a_100000210759_100000702505 [0,2,0,0,0,0|2,0,0]=4 14419 B14R0.2298 CCCCCCCCSC(C)(C)C(=O)N 62a_100000702505_100000210317 [0,2,0,0,0,0|2,0,0]=4 14420 B14R0.2298 CCCCCCCCSC(F)(F)C(=O)N 62a_100000210759_100009811971 [0,2,0,0,0,0|2,0,0]=4 14421 B14R0.2298 CCCCCCCCSC(F)(F)C(=O)N 62a_100009811971_100000210317 [0,2,0,0,0,0|2,0,0]=4 14422 B14R0.2298 CCCCCCCCSC(F)(F)C(=O)[O-] 62a_100000210759_100000745680 [0,2,0,0,0,0|1,0,1]=4 14423 B14R0.2298 CCCCCCCCSC(F)(F)C(=O)[O-] 62a_100000745680_100000210317 [0,2,0,0,0,0|1,0,1]=4 14424 B14R0.2298 CCCCCCCNCC(C)(C)C(=O)N 2230a_100000740840_100000210681 [0,2,0,0,0,0|2,0,0]=4 14425 B14R0.2298 CCCCCCCNCC(C)(C)C(=O)N 34a_100000740840_100000210614 [0,2,0,0,0,0|2,0,0]=4 14426 B14R0.2298 CCCCCCCNCC(C)(C)C(=O)O 269956a_100000693527_100000210614 [0,2,0,0,0,0|1,0,0]=3 14427 B14R0.2298 CCCCCCCNCC(F)(F)C(=O)O 269956a_100000734215_100000210614 [0,2,0,0,0,0|1,0,0]=3 14428 B14R0.2298 CCCCCCCNOC(C)(C)C(=O)O 269956a_100016989451_100000210614 [0,2,0,0,0,0|2,0,0]=4 14429 B14R0.2298 CCCCCCCOCC(C)(C)C(=O)N 34a_100000210272_200009895572 [0,2,0,0,0,0|2,0,0]=4 14430 B14R0.2298 CCCCCCCSCC(C)(C)C(=O)N 62a_100000210614_200009895572 [0,2,0,0,0,0|2,0,0]=4 14431 B14R0.2298 CCCCCCCSCC(C)(C)C(=O)N 62a_200009895572_100000210316 [0,2,0,0,0,0|2,0,0]=4 14432 B14R0.2298 CCCCOCCNCC(C)(C)C(=O)O 269956a_100000693527_100000743108 [0,2,0,0,0,0|2,0,0]=4 14433 B14R0.2298 CCCCOCCNCC(F)(F)C(=O)O 269956a_100000734215_100000743108 [0,2,0,0,0,0|2,0,0]=4 14434 B14R0.2298 O=C(O)C(F)(F)CNCCCCCCF 269956a_100000734215_100015922095 [0,2,0,0,0,0|2,0,0]=4 14435 B14R0.2298 O=C(O)C(F)(F)CNCCCCCCO 269956a_100000734215_100000766143 [0,2,0,0,0,0|2,0,0]=4 14436 B14R0.93 C=CC(CCCCCCC)OCC(=O)N 34a_200011934235_100000187820 [0,2,0,0,0,0|2,0,0]=4 14437 B14R0.93 C=CC(CCCCCCC)OCC(=O)N 7a_200011934235_100000187820 [0,2,0,0,0,0|2,0,0]=4 14438 B14R0.93 C=CC(CCCCCCC)OCC(=O)[O-] 34a_200011934235_100020667443 [0,2,0,0,0,0|1,0,1]=4 14439 B14R0.93 CCCCCCCC(CC)OCC(=O)N 34a_200011217053_100000187820 [0,2,0,0,0,0|2,0,0]=4 14440 B14R0.93 CCCCCCCC(CC)OCC(=O)N 7a_200011217053_100000187820 [0,2,0,0,0,0|2,0,0]=4 14441 B14R0.93 CCCCCCCC(CC)OCC(=O)[O-] 34a_200011217053_100020667443 [0,2,0,0,0,0|1,0,1]=4 14442 B14R0.93 CCCCCCCN(CC)CCC(=O)C 269982a_100000228213_100000053229 [0,2,0,0,0,0|2,0,0]=4 14443 B14R0.93 CCCCCCCN(CC)CCC(=O)N 2230a_100000228213_100000744528 [0,2,0,0,0,0|2,0,0]=4 14444 B14R0.93 CCCCCCCN(CC)CCC(=O)N 2230a_100020645749_100000210681 [0,2,0,0,0,0|2,0,0]=4 14445 B14R0.93 CCCCCCCN(CC)CCC(=O)N 269982a_100000228213_100000744528 [0,2,0,0,0,0|2,0,0]=4 14446 B14R0.138 CCCCCCCC(C)C(=O)CC(=O)N 1458a_100134613110_200011218727 [0,2,0,0,0,0|1,0,1]=4 14447 B14R0.138 CCCCCCCC(C)N(C)CC(=O)N 2230a_100000739694_200011218727 [0,2,0,0,0,0|2,0,0]=4 14448 B14R0.138 CCCCCCCC(C)N(C)CC(=O)N 270004a_100000739694_100000210596 [0,2,0,0,0,0|2,0,0]=4 14449 B14R0.138 CCCCCCCC(C)N(C)CC(=O)O 269956a_100000746989_200011218727 [0,2,0,0,0,0|1,0,0]=3 14450 B14R0.1092 CCCCCCCC(C)(C)NCC(=O)O 269956a_100016091260_200000046972 [0,2,0,0,0,0|1,0,0]=3 14451 B14R0.1092 CCCCCCCC(C)(C)OCC(=O)C 34a_100000211253_200000046972 [0,2,0,0,0,0|2,0,0]=4 14452 B14R0.1092 CCCCCCCC(C)(C)SCC(=O)N 62a_100000747473_200000046972 [0,2,0,0,0,0|2,0,0]=4 14453 B14R0.1092 CCCCCCCC(C)(C)SCC(=O)N 62a_200000046972_100000747473 [0,2,0,0,0,0|2,0,0]=4 14454 B14R0.1092 CCCCCCCC(C)(C)SCC(=O)[O-] 62a_100020667443_200000046972 [0,2,0,0,0,0|1,0,1]=4 14455 B14R0.1092 CCCCCCCC(C)(C)SCC(=O)[O-] 62a_200000046972_100020667443 [0,2,0,0,0,0|1,0,1]=4 14456 B14R0.2680 CC(=O)CCCCSCCCC(C)(C)O 62a_100000735457_100009888830 [0,2,0,0,0,0|2,0,0]=4 14457 B14R0.2680 CC(=O)CCCCSCCCC(C)(C)O 62a_100009888830_100000735457 [0,2,0,0,0,0|2,0,0]=4 14458 B14R0.2680 CC(=O)CCOCCCCCC(C)(C)O 34a_100000759926_100010402123 [0,2,0,0,0,0|2,0,0]=4 14459 B14R0.2680 CC(=O)CCOCCCCCC(C)(C)O 7a_100000759926_100010402123 [0,2,0,0,0,0|2,0,0]=4 14460 B14R0.2680 CC(=O)CCSCCCCCC(C)(C)O 62a_100000053229_100010402123 [0,2,0,0,0,0|2,0,0]=4 14461 B14R0.2680 CC(=O)CCSCCCCCC(C)(C)O 62a_100010402123_100000053229 [0,2,0,0,0,0|2,0,0]=4 14462 B14R0.2680 CC(C)(C)CCNCCCCCC(=O)N 2230a_100000738805_100009817443 [0,2,0,0,0,0|2,0,0]=4 14463 B14R0.2680 CC(C)(C)CCOCCCCCC(=O)N 34a_100000123541_100000755188 [0,2,0,0,0,0|2,0,0]=4 14464 B14R0.2680 CC(C)(C)CCOCCCCCC(=O)N 7a_100000123541_100000755188 [0,2,0,0,0,0|2,0,0]=4 14465 B14R0.2680 CC(C)(C)CCOCCCCCC(=O)N 7a_100000765024_100009817443 [0,2,0,0,0,0|2,0,0]=4 14466 B14R0.2680 CC(C)(C)CCOCCCCCC(=O)[O-] 7a_100102619762_100000755188 [0,2,0,0,0,0|1,0,1]=4 14467 B14R0.2680 CC(C)(C)CCSCCCCCC(=O)N 62a_100000755188_100009817443 [0,2,0,0,0,0|2,0,0]=4 14468 B14R0.2680 CC(C)(C)CCSCCCCCC(=O)N 62a_100009817443_100000755188 [0,2,0,0,0,0|2,0,0]=4 14469 B14R0.2680 CC(C)(F)CCNCCCCCC(=O)N 2230a_100016253952_100009817443 [0,2,0,0,0,0|2,0,0]=4 14470 B14R0.2680 CC(C)(O)CCCCCNOCC(=O)O 269956a_100000106656_100010402123 [0,2,0,0,0,0|2,0,0]=4 14471 B14R0.2680 CC(C)(O)CCCCCOCCC(=O)N 34a_100000757172_100010402123 [0,2,0,0,0,0|2,0,0]=4 14472 B14R0.2680 CC(C)(O)CCCCCOCCC(=O)N 7a_100000757172_100010402123 [0,2,0,0,0,0|2,0,0]=4 14473 B14R0.2680 CC(C)(O)CCCCCSCCC(=O)N 62a_100000744528_100010402123 [0,2,0,0,0,0|2,0,0]=4 14474 B14R0.2680 CC(C)(O)CCCCCSCCC(=O)N 62a_100010402123_100000744528 [0,2,0,0,0,0|2,0,0]=4 14475 B14R0.2680 CC(C)(O)CCCNCCCCC(=O)N 34a_100000696515_100009888830 [0,2,0,0,0,0|2,0,0]=4 14476 B14R0.2680 CC(C)(O)CCCNCCOCC(=O)O 269956a_100000700818_100009888830 [0,2,0,0,0,0|2,0,0]=4 14477 B14R0.2680 CC(C)(O)CCCOCCCCC(=O)N 34a_100012022536_100009888830 [0,2,0,0,0,0|2,0,0]=4 14478 B14R0.2680 CC(C)(O)CCCOCCCCC(=O)N 7a_100012022536_100009888830 [0,2,0,0,0,0|2,0,0]=4 14479 B14R0.2680 CC(C)(O)CCOCCCCCC(=O)N 34a_100000123541_100000702414 [0,2,0,0,0,0|2,0,0]=4 14480 B14R0.2680 CC(C)(O)CCOCCCCCC(=O)N 7a_100000123541_100000702414 [0,2,0,0,0,0|2,0,0]=4 14481 B14R0.2680 CC(C)(O)CCOCCCCCC(=O)[O-] 7a_100102619762_100000702414 [0,2,0,0,0,0|1,0,1]=4 14482 B14R0.2680 CC(C)(O)CCSCCCCCC(=O)N 62a_100000702414_100009817443 [0,2,0,0,0,0|2,0,0]=4 14483 B14R0.2680 CC(C)(O)CCSCCCCCC(=O)N 62a_100009817443_100000702414 [0,2,0,0,0,0|2,0,0]=4 14484 B14R0.2680 C[N+](C)(C)CCCCCCNCC(=O)O 269956a_100016091260_100009996864 [0,2,0,0,0,0|2,0,0]=4 14485 B14R0.227 CCCCCC(C)CCC(=O)CC(=O)N 1458a_100000034243_100000187820 [0,2,0,0,0,0|1,0,1]=4 14486 B14R0.227 CCCCCC(C)CCC(=O)CC(=O)[O-] 1458a_100000034243_100020667443 [0,2,0,0,0,0|0,0,2]=4 14487 B14R0.227 CCCCCC(C)NCC(O)CC(=O)O 269956a_100011218706_200011218191 [0,2,0,0,0,0|1,0,0]=3 14488 B14R0.1749 CCC(C)CCC(=O)CCCCC(=O)C 1458a_100000701222_100000735457 [0,2,0,0,0,0|1,0,1]=4 14489 B14R0.1749 CCC(C)CCC(C)OCCCC(=O)C 7a_200011216552_100011215641 [0,2,0,0,0,0|2,0,0]=4 14490 B14R0.1749 CCC(C)CCC(C)OCCCC(=O)N 7a_200011216552_100102525003 [0,2,0,0,0,0|2,0,0]=4 14491 B14R0.2015 C#CC(CCCCC)OCCCC(=O)C 34a_100011216489_100000685027 [0,2,0,0,0,0|2,0,0]=4 14492 B14R0.2015 C#CC(CCCCC)OCCCC(=O)C 7a_100011216489_100011215641 [0,2,0,0,0,0|2,0,0]=4 14493 B14R0.2015 C#CC(CCCCC)OCCCC(=O)N 34a_100011216489_100102525003 [0,2,0,0,0,0|2,0,0]=4 14494 B14R0.2015 C#CC(CCCCC)OCCCC(=O)N 7a_100011216489_100102525003 [0,2,0,0,0,0|2,0,0]=4 14495 B14R0.2015 C=CC(CCCCC)OCCCC(=O)C 34a_100011216863_100000685027 [0,2,0,0,0,0|2,0,0]=4 14496 B14R0.2015 C=CC(CCCCC)OCCCC(=O)C 7a_100011216863_100011215641 [0,2,0,0,0,0|2,0,0]=4 14497 B14R0.2015 C=CC(CCCCC)OCCCC(=O)N 34a_100011216863_100102525003 [0,2,0,0,0,0|2,0,0]=4 14498 B14R0.2015 C=CC(CCCCC)OCCCC(=O)N 7a_100011216863_100102525003 [0,2,0,0,0,0|2,0,0]=4 14499 B14R0.2015 CCCCCC(CC)OCCCC(=O)C 34a_100011215405_100000685027 [0,2,0,0,0,0|2,0,0]=4 14500 B14R0.2015 CCCCCC(CC)OCCCC(=O)C 7a_100011215405_100011215641 [0,2,0,0,0,0|2,0,0]=4 14501 B14R0.2015 CCCCCC(CC)OCCCC(=O)N 34a_100011215405_100102525003 [0,2,0,0,0,0|2,0,0]=4 14502 B14R0.2015 CCCCCC(CC)OCCCC(=O)N 7a_100011215405_100102525003 [0,2,0,0,0,0|2,0,0]=4 14503 B14R0.64 CCC(CC)CNCCCCCC(=O)N 2230a_100102946423_100009817443 [0,2,0,0,0,0|2,0,0]=4 14504 B14R0.64 CCC(CC)COCCCCCC(=O)N 34a_100000123541_100011215472 [0,2,0,0,0,0|2,0,0]=4 14505 B14R0.64 CCC(CC)COCCCCCC(=O)N 7a_100000123541_100011215472 [0,2,0,0,0,0|2,0,0]=4 14506 B14R0.64 CCC(CC)COCCCCCC(=O)N 7a_100000703878_100009817443 [0,2,0,0,0,0|2,0,0]=4 14507 B14R0.64 CCC(CC)COCCCCCC(=O)[O-] 7a_100102619762_100011215472 [0,2,0,0,0,0|1,0,1]=4 14508 B14R0.64 CCC(CC)CSCCCCCC(=O)N 62a_100009817443_100011215472 [0,2,0,0,0,0|2,0,0]=4 14509 B14R0.64 CCC(CC)CSCCCCCC(=O)N 62a_100011215472_100009817443 [0,2,0,0,0,0|2,0,0]=4 14510 B14R0.64 CCC(COCCCCCC(=O)N)OC 34a_100011934954_100009817443 [0,2,0,0,0,0|2,0,0]=4 14511 B14R0.64 CCC(COCCCCCC(=O)N)OC 7a_100011934954_100009817443 [0,2,0,0,0,0|2,0,0]=4 14512 B14R0.309 CCN(C)CCCNCC(O)CC(=O)O 269956a_100011218706_100015186262 [0,2,0,0,0,0|2,0,0]=4 14513 B14R0.2191 CCC(C)(C)COCCCCCC(=O)N 7a_100000765029_100009817443 [0,2,0,0,0,0|2,0,0]=4 14514 B14R0.489 CCCCCCCCN(CC)CC(=O)O 269956a_100000746405_100000210759 [0,2,0,0,0,0|1,0,0]=3 14515 B14R0.489 CCCCCCCCN(CO)CC(=O)[O-] 269956a_100016989150_100000210759 [0,2,0,0,0,0|1,0,1]=4 14516 B14R0.489 CCCCCCCN[C@H](CC)CC(=O)O 269956a_100016995926_100000210614 [0,2,0,0,0,0|1,0,0]=3 14517 B14R0.489 CCCCCCCN[C@H](CO)CC(=O)O 269956a_100009816507_100000210614 [0,2,0,0,0,0|1,0,0]=3 14518 B14R0.489 CCCCOCCN[C@H](CC)CC(=O)O 269956a_100016995926_100000743108 [0,2,0,0,0,0|2,0,0]=4 14519 B14R0.489 CCCCOCCN[C@H](CO)CC(=O)O 269956a_100009816507_100000743108 [0,2,0,0,0,0|2,0,0]=4 14520 B14R0.489 CCN(CCCCCCCO)CC(=O)O 269956a_100000746405_100000760002 [0,2,0,0,0,0|2,0,0]=4 14521 B14R0.489 CCN(CCCCCCOC)CC(=O)O 269956a_100000746405_100011998445 [0,2,0,0,0,0|2,0,0]=4 14522 B14R0.489 CC[C@H](CC(=O)O)NCCCCCCF 269956a_100016995926_100015922095 [0,2,0,0,0,0|2,0,0]=4 14523 B14R0.489 CC[C@H](CC(=O)O)NCCCCCCO 269956a_100016995926_100000766143 [0,2,0,0,0,0|2,0,0]=4 14524 B14R0.489 O=C(O)C[C@@H](CO)NCCCCCCF 269956a_100009816507_100015922095 [0,2,0,0,0,0|2,0,0]=4 14525 B14R0.489 O=C(O)C[C@@H](CO)NCCCCCCO 269956a_100009816507_100000766143 [0,2,0,0,0,0|2,0,0]=4 14526 B14R0.2523 CC(C)(CC(=O)O)NCCCCCCF 269956a_100000755897_100015922095 [0,2,0,0,0,0|2,0,0]=4 14527 B14R0.2523 CC(C)(CC(=O)O)NCCCCCCO 269956a_100000755897_100000766143 [0,2,0,0,0,0|2,0,0]=4 14528 B14R0.2523 CCCCCCCNC(C)(C)CC(=O)N 2230a_100000763158_100000210681 [0,2,0,0,0,0|2,0,0]=4 14529 B14R0.2523 CCCCCCCNC(C)(C)CC(=O)O 269956a_100000755897_100000210614 [0,2,0,0,0,0|1,0,0]=3 14530 B14R0.2523 CCCCCCCOC(C)(C)CC(=O)C 7a_100000210262_100000210614 [0,2,0,0,0,0|2,0,0]=4 14531 B14R0.2523 CCCCOCCNC(C)(C)CC(=O)O 269956a_100000755897_100000743108 [0,2,0,0,0,0|2,0,0]=4 14532 B12R1.8 C=CCCCNC1CCCCC1 2230a_100000182618_100011713584 [1,0,0,1,0,0|2,0,0]=4 14533 B12R1.8 C=CCCCNC1CCCCC1 270004a_100000700776_100000210434 [1,0,0,1,0,0|2,0,0]=4 14534 B12R1.8 C=CCCCNC1CCCCC1 34a_100000182618_100000757094 [1,0,0,1,0,0|2,0,0]=4 14535 B12R1.8 C=CCCCNC1CCCCC1 34a_100000700776_100000210327 [1,0,0,1,0,0|2,0,0]=4 14536 B12R1.8 C=CCCCOC1CCCCC1 34a_100000210231_100000757094 [1,0,0,1,0,0|2,0,0]=4 14537 B12R1.8 C=CCCCOC1CCCCC1 34a_100000758997_100000210327 [1,0,0,1,0,0|2,0,0]=4 14538 B12R1.8 C=CCCCOC1CCCCC1 7a_100000210231_100000757094 [1,0,0,1,0,0|2,0,0]=4 14539 B12R1.8 C=CCCCOC1CCCCC1 7a_100000758997_100000210327 [1,0,0,1,0,0|2,0,0]=4 14540 B12R1.8 C=CCCCSC1CCCCC1 62a_100000210327_100000757094 [1,0,0,1,0,0|2,0,0]=4 14541 B12R1.8 C=CCCCSC1CCCCC1 62a_100011713584_100000210327 [1,0,0,1,0,0|2,0,0]=4 14542 B12R1.8 C=CCCNCC1CCCCC1 2230a_100000210473_100000754431 [1,0,0,1,0,0|2,0,0]=4 14543 B12R1.8 C=CCCNCC1CCCCC1 2230a_100015191253_100000211423 [1,0,0,1,0,0|2,0,0]=4 14544 B12R1.8 C=CCCNCC1CCCCC1 269862a_100015191253_100000211278 [1,0,0,1,0,0|2,0,0]=4 14545 B12R1.8 C=CCCNCC1CCCCC1 34a_100000210473_100000754431 [1,0,0,1,0,0|2,0,0]=4 14546 B12R1.8 C=CCCOCC1CCCCC1 34a_100000212181_100000754431 [1,0,0,1,0,0|2,0,0]=4 14547 B12R1.8 C=CCCOCC1CCCCC1 34a_100011205117_100000211423 [1,0,0,1,0,0|2,0,0]=4 14548 B12R1.8 C=CCCOCC1CCCCC1 7a_100000212181_100000754431 [1,0,0,1,0,0|2,0,0]=4 14549 B12R1.8 C=CCCSCC1CCCCC1 62a_100000211423_100000754431 [1,0,0,1,0,0|2,0,0]=4 14550 B12R1.8 C=CCCSCC1CCCCC1 62a_100000754431_100000211423 [1,0,0,1,0,0|2,0,0]=4 14551 B12R1.8 C=CCNCCC1CCCCC1 2230a_100000738074_100000210623 [1,0,0,1,0,0|2,0,0]=4 14552 B12R1.8 C=CCNCCC1CCCCC1 2230a_100020586998_100012355289 [1,0,0,1,0,0|2,0,0]=4 14553 B12R1.8 C=CCNCCC1CCCCC1 270004a_100020586998_100011713444 [1,0,0,1,0,0|2,0,0]=4 14554 B12R1.8 C=CCNCCC1CCCCC1 34a_100000738074_100015514636 [1,0,0,1,0,0|2,0,0]=4 14555 B12R1.8 C=CCOCCC1CCCCC1 34a_100011217863_100015514636 [1,0,0,1,0,0|2,0,0]=4 14556 B12R1.8 C=CCOCCC1CCCCC1 34a_200000210373_100011209188 [1,0,0,1,0,0|2,0,0]=4 14557 B12R1.8 C=CCOCCC1CCCCC1 7a_100011217863_100015514636 [1,0,0,1,0,0|2,0,0]=4 14558 B12R1.8 C=CCSCCC1CCCCC1 62a_100000210623_100012355289 [1,0,0,1,0,0|2,0,0]=4 14559 B12R1.8 C=CCSCCC1CCCCC1 62a_100012355289_100000210623 [1,0,0,1,0,0|2,0,0]=4 14560 B12R1.8 CCCCCNC1C=CCCC1 2230a_100000209983_100000751183 [1,0,0,1,0,0|2,0,0]=4 14561 B12R1.8 CCCCCOC1C=CCCC1 34a_100011215024_100000718602 [1,0,0,1,0,0|2,0,0]=4 14562 B12R1.8 CCCCCOC1C=CCCC1 7a_100000210253_100000751183 [1,0,0,1,0,0|2,0,0]=4 14563 B12R1.8 CCCCCOC1CCCCO1 34a_100000033831_100000718602 [1,0,0,1,0,0|1,0,1]=4 14564 B12R1.8 CCCCCSC1C=CCCC1 62a_100000210326_100000751183 [1,0,0,1,0,0|2,0,0]=4 14565 B12R1.8 CCCCCSC1C=CCCC1 62a_100000751183_100000210326 [1,0,0,1,0,0|2,0,0]=4 14566 B12R1.8 CCCCNCC1CCCCO1 2230a_100000102301_100000211543 [1,0,0,1,0,0|1,0,1]=4 14567 B12R1.8 CCCCNCC1CCCCO1 2230a_100000174945_100000210211 [1,0,0,1,0,0|1,0,1]=4 14568 B12R1.8 CCCCNCC1CCCCO1 34a_100000174945_100000210210 [1,0,0,1,0,0|1,0,1]=4 14569 B12R1.8 CCCCNCC1CCCCO1 7a_106832991798_100000211543 [1,0,0,1,0,0|1,0,1]=4 14570 B12R1.8 CCCCOCC1CCC=CO1 34a_100011217868_100000210210 [1,0,0,1,0,0|1,0,1]=4 14571 B12R1.8 CCCCOCC1CCCCO1 34a_100000210227_100000211543 [1,0,0,1,0,0|1,0,1]=4 14572 B12R1.8 CCCCOCC1CCCCO1 34a_100000211370_100000210210 [1,0,0,1,0,0|1,0,1]=4 14573 B12R1.8 CCCCOCC1CCCCO1 7a_100000210227_100000211543 [1,0,0,1,0,0|1,0,1]=4 14574 B12R1.8 CCCCOCC1CCCCO1 7a_100000211370_100000210211 [1,0,0,1,0,0|1,0,1]=4 14575 B12R1.8 CCCCSCC1CCCCO1 62a_100000210211_100000211543 [1,0,0,1,0,0|1,0,1]=4 14576 B12R1.8 CCCCSCC1CCCCO1 62a_100000211543_100000210210 [1,0,0,1,0,0|1,0,1]=4 14577 B12R1.8 CCCNCCC1CCCCO1 2230a_100015183643_100000210303 [1,0,0,1,0,0|1,0,1]=4 14578 B12R1.8 CCCNCCC1CCCCO1 34a_100015183643_100000210303 [1,0,0,1,0,0|1,0,1]=4 14579 B12R1.8 COCCCCC1CCCCC1 34a_100011215267_200000210301 [1,0,0,1,0,0|2,0,0]=4 14580 B12R1.8 COCCCCC1CCCCC1 7a_100011215267_200000210301 [1,0,0,1,0,0|2,0,0]=4 14581 B12R1.8 O=CCCCCN1CCCOC1 2230a_100000131196_100000139335 [1,0,0,1,0,0|2,0,0]=4 14582 B12R1.8 O=CCCCCN1CCCOC1 269982a_100000131196_100000139335 [1,0,0,1,0,0|2,0,0]=4 14583 B12R1.8 O=CCCCCN1CCOCC1 2230a_100015191051_100000139335 [1,0,0,1,0,0|2,0,0]=4 14584 B12R1.8 O=CCCCCN1CCOCC1 269982a_100015191051_100000139335 [1,0,0,1,0,0|2,0,0]=4 14585 B12R1.8 O=CCCCCN1CCSCC1 2230a_100000737611_100000139335 [1,0,0,1,0,0|2,0,0]=4 14586 B12R1.8 O=CCCCCN1CCSCC1 269982a_100000737611_100000139335 [1,0,0,1,0,0|2,0,0]=4 14587 B12R1.8 O=CCCCNC1CCCCC1 2230a_100000182618_200011292268 [1,0,0,1,0,0|1,0,0]=3 14588 B12R1.8 O=CCCCNC1CCCOC1 2230a_100000719290_200011292268 [1,0,0,1,0,0|2,0,0]=4 14589 B12R1.8 O=CCCCNC1CCOCC1 2230a_100000741149_200011292268 [1,0,0,1,0,0|2,0,0]=4 14590 B12R1.8 O=CCCCNC1CCSCC1 2230a_100000748639_200011292268 [1,0,0,1,0,0|2,0,0]=4 14591 B12R1.8 O=CCCCOC1CCCCC1 7a_100000210231_200011292268 [1,0,0,1,0,0|1,0,0]=3 14592 B12R1.8 O=CCCCOC1CCCSC1 7a_100015962668_200011292268 [1,0,0,1,0,0|2,0,0]=4 14593 B12R1.8 O=CCCCOC1CCSCC1 7a_100000731022_200011292268 [1,0,0,1,0,0|2,0,0]=4 14594 B12R1.8 O=CCCCSC1CCCCC1 62a_100000210327_200011292268 [1,0,0,1,0,0|1,0,0]=3 14595 B12R1.8 O=CCCCSC1CCCCC1 62a_200011292268_100000210327 [1,0,0,1,0,0|1,0,0]=3 14596 B12R1.8 O=CCCCSC1CCCOC1 62a_200011292268_100000693364 [1,0,0,1,0,0|2,0,0]=4 14597 B12R1.8 O=CCCCSC1CCOCC1 62a_200011292268_100011324220 [1,0,0,1,0,0|2,0,0]=4 14598 B12R1.8 O=CCCCSC1CCSCC1 62a_200011292268_100000069128 [1,0,0,1,0,0|2,0,0]=4 14599 B12R1.8 O=CCNCCC1CCCCC1 2230a_100000738074_200015260668 [1,0,0,1,0,0|1,0,0]=3 14600 B12R1.8 O=CCNCCC1CCCCC1 34a_100000738074_200009817547 [1,0,0,1,0,0|1,0,0]=3 14601 B12R1.8 O=CCNCCC1CCCCO1 2230a_100015183643_200015260668 [1,0,0,1,0,0|2,0,0]=4 14602 B12R1.8 O=CCNCCC1CCCCO1 34a_100015183643_200009817547 [1,0,0,1,0,0|2,0,0]=4 14603 B12R1.8 O=CCNCCC1CCOCC1 2230a_100000755988_200015260668 [1,0,0,1,0,0|2,0,0]=4 14604 B12R1.8 O=CCNCCC1CCOCC1 34a_100000755988_200009817547 [1,0,0,1,0,0|2,0,0]=4 14605 B12R1.8 O=CCOCCC1CCCCC1 34a_100011217863_200009817547 [1,0,0,1,0,0|1,0,0]=3 14606 B12R1.8 O=CCOCCC1CCCCC1 7a_100011217863_200015260668 [1,0,0,1,0,0|1,0,0]=3 14607 B12R1.8 O=CCOCCC1CCCCN1 34a_100000211664_200009817547 [1,0,0,1,0,0|2,0,0]=4 14608 B12R1.8 O=CCOCCC1CCCNC1 34a_100000752241_200009817547 [1,0,0,1,0,0|2,0,0]=4 14609 B12R1.8 O=CCOCCC1CCNCC1 34a_100015190746_200009817547 [1,0,0,1,0,0|2,0,0]=4 14610 B12R1.8 O=CCOCCC1CCOCC1 34a_100011933979_200009817547 [1,0,0,1,0,0|2,0,0]=4 14611 B12R1.8 O=CCOCCC1CCOCC1 7a_100011933979_200015260668 [1,0,0,1,0,0|2,0,0]=4 14612 B12R1.8 O=CCSCCC1CCCCC1 62a_100012355289_200015260668 [1,0,0,1,0,0|1,0,0]=3 14613 B12R1.8 O=CCSCCC1CCCCC1 62a_200015260668_100012355289 [1,0,0,1,0,0|1,0,0]=3 14614 B12R1.8 O=CCSCCC1CCOCC1 62a_100011934994_200015260668 [1,0,0,1,0,0|2,0,0]=4 14615 B12R1.8 O=CCSCCC1CCOCC1 62a_200015260668_100011934994 [1,0,0,1,0,0|2,0,0]=4 14616 B12R1.8 O=CCSCCN1CCCCC1 62a_100000739454_200015260668 [1,0,0,1,0,0|2,0,0]=4 14617 B12R1.8 O=CCSCCN1CCCCC1 62a_200015260668_100000739454 [1,0,0,1,0,0|2,0,0]=4 14618 B12R1.8 O=CCSCOC1CCCCC1 62a_100011935260_200015260668 [1,0,0,1,0,0|2,0,0]=4 14619 B12R1.8 O=CCSCOC1CCCCC1 62a_200015260668_100011935260 [1,0,0,1,0,0|2,0,0]=4 14620 B12R1.8 OCCCCNC1CCCCC1 2230a_100000182618_100000210776 [1,0,0,1,0,0|1,0,1]=4 14621 B12R1.8 OCCCCNC1CCCCC1 270004a_100000750430_100000210434 [1,0,0,1,0,0|1,0,1]=4 14622 B12R1.8 OCCCCNC1CCCCC1 34a_100000182618_100011216708 [1,0,0,1,0,0|1,0,1]=4 14623 B12R1.8 OCCCCNC1CCCCC1 34a_100000750430_100000210327 [1,0,0,1,0,0|1,0,1]=4 14624 B12R1.8 OCCCCOC1CCCCC1 34a_100000210231_100011216708 [1,0,0,1,0,0|1,0,1]=4 14625 B12R1.8 OCCCCOC1CCCCC1 7a_100000210231_100000210776 [1,0,0,1,0,0|1,0,1]=4 14626 B12R1.8 OCCCCSC1CCCCC1 62a_100000210327_100000210776 [1,0,0,1,0,0|1,0,1]=4 14627 B12R1.8 OCCCCSC1CCCCC1 62a_100000210776_100000210327 [1,0,0,1,0,0|1,0,1]=4 14628 B12R1.8 OCCCNCC1CCCCC1 2230a_100000210473_100000230001 [1,0,0,1,0,0|1,0,1]=4 14629 B12R1.8 OCCCNCC1CCCCC1 269862a_100000182051_100000211278 [1,0,0,1,0,0|1,0,1]=4 14630 B12R1.8 OCCCNCC1CCCCC1 34a_100000210473_100000230001 [1,0,0,1,0,0|1,0,1]=4 14631 B12R1.8 OCCCOCC1CCCCC1 34a_100000212181_100000230001 [1,0,0,1,0,0|1,0,1]=4 14632 B12R1.8 OCCCOCC1CCCCC1 7a_100000212181_100011215043 [1,0,0,1,0,0|1,0,1]=4 14633 B12R1.8 OCCCSCC1CCCCC1 62a_100000211423_100011215043 [1,0,0,1,0,0|1,0,1]=4 14634 B12R1.8 OCCCSCC1CCCCC1 62a_100011215043_100000211423 [1,0,0,1,0,0|1,0,1]=4 14635 B12R1.8 OCCNCCC1CCCCC1 2230a_100000738074_100000211926 [1,0,0,1,0,0|1,0,1]=4 14636 B12R1.8 OCCNCCC1CCCCC1 2230a_100016997473_100012355289 [1,0,0,1,0,0|1,0,1]=4 14637 B12R1.8 OCCNCCC1CCCCC1 270004a_100000210304_100011713444 [1,0,0,1,0,0|1,0,1]=4 14638 B12R1.8 OCCNCCC1CCCCC1 34a_100000738074_100000211926 [1,0,0,1,0,0|1,0,1]=4 14639 B12R1.8 OCCNCCC1CCCCC1 34a_100016990907_100011209188 [1,0,0,1,0,0|1,0,1]=4 14640 B12R1.8 OCCOCCC1CCCCC1 34a_100011217863_100000211926 [1,0,0,1,0,0|1,0,1]=4 14641 B12R1.8 OCCOCCC1CCCCC1 7a_100011217863_100000211926 [1,0,0,1,0,0|1,0,1]=4 14642 B12R1.8 OCCSCCC1CCCCC1 62a_100000211926_100012355289 [1,0,0,1,0,0|1,0,1]=4 14643 B12R1.8 OCCSCCC1CCCCC1 62a_100012355289_100000211926 [1,0,0,1,0,0|1,0,1]=4 14644 B12R1.8 [13CH3]OCCCCC1CCCCC1 34a_100011215267_200025704644 [1,0,0,1,0,0|2,0,0]=4 14645 B12R1.8 [13CH3]OCCCCC1CCCCC1 7a_100011215267_200025704644 [1,0,0,1,0,0|2,0,0]=4 14646 B12R1.18 CCCNC1CCCCNC1=O 2230a_100000698827_100000210303 [1,0,0,1,0,0|2,0,0]=4 14647 B12R1.18 CCCNC1CCCCNC1=O 34a_100000698827_100000210303 [1,0,0,1,0,0|2,0,0]=4 14648 B12R1.18 CCCSC1CCCCCC1=O 62a_100000210303_100000243696 [1,0,0,1,0,0|1,0,0]=3 14649 B12R1.18 CCCSC1CCCCCC1=O 62a_100000243696_100000210303 [1,0,0,1,0,0|1,0,0]=3 14650 B12R1.18 CCCSC1CCCCNC1=O 62a_100000210303_100000735217 [1,0,0,1,0,0|2,0,0]=4 14651 B12R1.18 CCCSC1CCCCNC1=O 62a_100000735217_100000210303 [1,0,0,1,0,0|2,0,0]=4 14652 B12R1.18 COCSC1CCCCCC1=O 62a_100000243696_100000766300 [1,0,0,1,0,0|2,0,0]=4 14653 B12R1.18 COCSC1CCCCCC1=O 62a_100000766300_100000243696 [1,0,0,1,0,0|2,0,0]=4 14654 B12R1.18 CSCSC1CCCCCC1=O 62a_100000243696_100011218213 [1,0,0,1,0,0|2,0,0]=4 14655 B12R1.18 CSCSC1CCCCCC1=O 62a_100011218213_100000243696 [1,0,0,1,0,0|2,0,0]=4 14656 B12R1.18 O=C1CCCCCC1SCCF 62a_100000243696_100011217306 [1,0,0,1,0,0|2,0,0]=4 14657 B12R1.18 O=C1CCCCCC1SCCF 62a_100011217306_100000243696 [1,0,0,1,0,0|2,0,0]=4 14658 B12R1.18 O=C1CCCCCC1SCCO 62a_100000211926_100000243696 [1,0,0,1,0,0|2,0,0]=4 14659 B12R1.18 O=C1CCCCCC1SCCO 62a_100000243696_100000211926 [1,0,0,1,0,0|2,0,0]=4 14660 B12R1.37 C=CCCCCCN1CCCC1 2230a_100000188435_100000700193 [1,0,0,1,0,0|2,0,0]=4 14661 B12R1.37 C=CCCCCCN1CCCC1 269982a_100000188435_100000700193 [1,0,0,1,0,0|2,0,0]=4 14662 B12R1.37 C=CCCCCNC1CCCC1 2230a_100000211070_100011215482 [1,0,0,1,0,0|2,0,0]=4 14663 B12R1.37 C=CCCCCNC1CCCC1 2230a_100000703577_100000179811 [1,0,0,1,0,0|2,0,0]=4 14664 B12R1.37 C=CCCCCNC1CCCC1 270004a_100000703577_100000210133 [1,0,0,1,0,0|2,0,0]=4 14665 B12R1.37 C=CCCCCNC1CCCC1 34a_100000211070_100011215482 [1,0,0,1,0,0|2,0,0]=4 14666 B12R1.37 C=CCCCCNC1CCCC1 34a_100000703577_100000179811 [1,0,0,1,0,0|2,0,0]=4 14667 B12R1.37 C=CCCCCOC1CCCC1 34a_100000210269_100011215482 [1,0,0,1,0,0|2,0,0]=4 14668 B12R1.37 C=CCCCCOC1CCCC1 34a_100000766645_100000179811 [1,0,0,1,0,0|2,0,0]=4 14669 B12R1.37 C=CCCCCOC1CCCC1 7a_100000210269_100011215482 [1,0,0,1,0,0|2,0,0]=4 14670 B12R1.37 C=CCCCCOC1CCCC1 7a_100000766645_100000179811 [1,0,0,1,0,0|2,0,0]=4 14671 B12R1.37 C=CCCCCSC1CCCC1 62a_100011215482_100000179811 [1,0,0,1,0,0|2,0,0]=4 14672 B12R1.37 C=CCCCCSC1CCCC1 62a_100011217020_100011215482 [1,0,0,1,0,0|2,0,0]=4 14673 B12R1.37 C=CCCCNCC1CCCC1 2230a_100000700776_100000740388 [1,0,0,1,0,0|2,0,0]=4 14674 B12R1.37 C=CCCCNCC1CCCC1 2230a_100000737975_100011713584 [1,0,0,1,0,0|2,0,0]=4 14675 B12R1.37 C=CCCCNCC1CCCC1 269862a_100000700776_100000746403 [1,0,0,1,0,0|2,0,0]=4 14676 B12R1.37 C=CCCCNCC1CCCC1 34a_100000700776_100000740388 [1,0,0,1,0,0|2,0,0]=4 14677 B12R1.37 C=CCCCNCC1CCCC1 34a_100000737975_100000757094 [1,0,0,1,0,0|2,0,0]=4 14678 B12R1.37 C=CCCCOCC1CCCC1 34a_100000742336_100000757094 [1,0,0,1,0,0|2,0,0]=4 14679 B12R1.37 C=CCCCOCC1CCCC1 34a_100000758997_100000740388 [1,0,0,1,0,0|2,0,0]=4 14680 B12R1.37 C=CCCCOCC1CCCC1 7a_100000742336_100000757094 [1,0,0,1,0,0|2,0,0]=4 14681 B12R1.37 C=CCCCOCC1CCCC1 7a_100000758997_100000740388 [1,0,0,1,0,0|2,0,0]=4 14682 B12R1.37 C=CCCCSCC1CCCC1 62a_100000740388_100000757094 [1,0,0,1,0,0|2,0,0]=4 14683 B12R1.37 C=CCCCSCC1CCCC1 62a_100011713584_100000740388 [1,0,0,1,0,0|2,0,0]=4 14684 B12R1.37 C=CCCNCCC1CCCC1 2230a_100000739158_100000754431 [1,0,0,1,0,0|2,0,0]=4 14685 B12R1.37 C=CCCNCCC1CCCC1 2230a_100015191253_100000760354 [1,0,0,1,0,0|2,0,0]=4 14686 B12R1.37 C=CCCNCCC1CCCC1 34a_100000739158_100000754431 [1,0,0,1,0,0|2,0,0]=4 14687 B12R1.37 C=CCCOCCC1CCCC1 34a_100000749090_100000754431 [1,0,0,1,0,0|2,0,0]=4 14688 B12R1.37 C=CCCOCCC1CCCC1 34a_100011205117_100000760354 [1,0,0,1,0,0|2,0,0]=4 14689 B12R1.37 C=CCCOCCC1CCCC1 7a_100000749090_100000754431 [1,0,0,1,0,0|2,0,0]=4 14690 B12R1.37 C=CCCSCCC1CCCC1 62a_100000754431_100000760354 [1,0,0,1,0,0|2,0,0]=4 14691 B12R1.37 C=CCCSCCC1CCCC1 62a_100000760354_100000754431 [1,0,0,1,0,0|2,0,0]=4 14692 B12R1.37 C=CCNCCCC1CCCC1 2230a_100000736752_100000210623 [1,0,0,1,0,0|2,0,0]=4 14693 B12R1.37 C=CCNCCCC1CCCC1 2230a_100020586998_100011713738 [1,0,0,1,0,0|2,0,0]=4 14694 B12R1.37 C=CCNCCCC1CCCC1 34a_100000736752_100015514636 [1,0,0,1,0,0|2,0,0]=4 14695 B12R1.37 C=CCOCCCC1CCCC1 34a_100011215328_100015514636 [1,0,0,1,0,0|2,0,0]=4 14696 B12R1.37 C=CCOCCCC1CCCC1 34a_200000210373_100011713738 [1,0,0,1,0,0|2,0,0]=4 14697 B12R1.37 C=CCOCCCC1CCCC1 7a_100011215328_100015514636 [1,0,0,1,0,0|2,0,0]=4 14698 B12R1.37 C=CCSCCCC1CCCC1 62a_100000210623_100011713738 [1,0,0,1,0,0|2,0,0]=4 14699 B12R1.37 C=CCSCCCC1CCCC1 62a_100011713738_100000210623 [1,0,0,1,0,0|2,0,0]=4 14700 B12R1.37 CCCCCCOC1CCCO1 34a_100000085407_100000210314 [1,0,0,1,0,0|1,0,1]=4 14701 B12R1.37 CCCCCNCC1CCCO1 2230a_100000209983_100000203698 [1,0,0,1,0,0|1,0,1]=4 14702 B12R1.37 CCCCCNC[C@@H]1CCCO1 2230a_100020590478_100000210326 [1,0,0,1,0,0|1,0,1]=4 14703 B12R1.37 CCCCCNC[C@@H]1CCCO1 34a_100020590478_100000718602 [1,0,0,1,0,0|1,0,1]=4 14704 B12R1.37 CCCCCOCC1CCCO1 34a_100000210270_100000718602 [1,0,0,1,0,0|1,0,1]=4 14705 B12R1.37 CCCCCOCC1CCCO1 7a_100000210253_100000203698 [1,0,0,1,0,0|1,0,1]=4 14706 B12R1.37 CCCCCOCC1CCCO1 7a_100000210270_100000210326 [1,0,0,1,0,0|1,0,1]=4 14707 B12R1.37 CCCCCSCC1CCCO1 62a_100000203698_100000210326 [1,0,0,1,0,0|1,0,1]=4 14708 B12R1.37 CCCCCSCC1CCCO1 62a_100000210326_100000203698 [1,0,0,1,0,0|1,0,1]=4 14709 B12R1.37 O=CCCCCCN1CCCC1 2230a_100000188435_100000139337 [1,0,0,1,0,0|1,0,0]=3 14710 B12R1.37 O=CCCCCCN1CCCC1 269982a_100000188435_100000139337 [1,0,0,1,0,0|1,0,0]=3 14711 B12R1.37 O=CCCCCCN1CCSC1 2230a_100011215254_100000139337 [1,0,0,1,0,0|2,0,0]=4 14712 B12R1.37 O=CCCCCCN1CCSC1 269982a_100011215254_100000139337 [1,0,0,1,0,0|2,0,0]=4 14713 B12R1.37 O=CCCCCNC1CCCC1 2230a_100000211070_100000139335 [1,0,0,1,0,0|1,0,0]=3 14714 B12R1.37 O=CCCCCN[C@@H]1CCOC1 2230a_200015188469_100000139335 [1,0,0,1,0,0|2,0,0]=4 14715 B12R1.37 O=CCCCCN[C@H]1CCOC1 2230a_100015188467_100000139335 [1,0,0,1,0,0|2,0,0]=4 14716 B12R1.37 O=CCCCCOC1CCCC1 7a_100000210269_100000139335 [1,0,0,1,0,0|1,0,0]=3 14717 B12R1.37 O=CCCCCOC1CCSC1 7a_100011232664_100000139335 [1,0,0,1,0,0|2,0,0]=4 14718 B12R1.37 O=CCCCCSC1CCCC1 62a_100000139335_100000179811 [1,0,0,1,0,0|1,0,0]=3 14719 B12R1.37 O=CCCCCSC1CCCC1 62a_100011217020_100000139335 [1,0,0,1,0,0|1,0,0]=3 14720 B12R1.37 O=CCCCCSC1CCOC1 62a_100000139335_100000690089 [1,0,0,1,0,0|2,0,0]=4 14721 B12R1.37 O=CCCCNCC1CCCC1 2230a_100000737975_200011292268 [1,0,0,1,0,0|1,0,0]=3 14722 B12R1.37 O=CCCCNCC1CCOC1 2230a_100000737293_200011292268 [1,0,0,1,0,0|2,0,0]=4 14723 B12R1.37 O=CCCCNC[C@@H]1CCCO1 2230a_100020590478_200011292268 [1,0,0,1,0,0|2,0,0]=4 14724 B12R1.37 O=CCCCOCC1CCCC1 7a_100000742336_200011292268 [1,0,0,1,0,0|1,0,0]=3 14725 B12R1.37 O=CCCCOCC1CCCO1 7a_100000210270_200011292268 [1,0,0,1,0,0|2,0,0]=4 14726 B12R1.37 O=CCCCSCC1CCCC1 62a_100000740388_200011292268 [1,0,0,1,0,0|1,0,0]=3 14727 B12R1.37 O=CCCCSCC1CCCC1 62a_200011292268_100000740388 [1,0,0,1,0,0|1,0,0]=3 14728 B12R1.37 O=CCCCSCC1CCCO1 62a_100000203698_200011292268 [1,0,0,1,0,0|2,0,0]=4 14729 B12R1.37 O=CCCCSCC1CCCO1 62a_200011292268_100000203698 [1,0,0,1,0,0|2,0,0]=4 14730 B12R1.37 O=CCCCSCC1CCOC1 62a_100000702531_200011292268 [1,0,0,1,0,0|2,0,0]=4 14731 B12R1.37 O=CCCCSCC1CCOC1 62a_200011292268_100000702531 [1,0,0,1,0,0|2,0,0]=4 14732 B12R1.37 O=CCNCCCC1CCCC1 2230a_100000736752_200015260668 [1,0,0,1,0,0|1,0,0]=3 14733 B12R1.37 O=CCNCCCC1CCCC1 34a_100000736752_200009817547 [1,0,0,1,0,0|1,0,0]=3 14734 B12R1.37 O=CCNCCOC1CCCC1 34a_100000741755_200009817547 [1,0,0,1,0,0|2,0,0]=4 14735 B12R1.37 O=CCOCCCC1CCCC1 34a_100011215328_200009817547 [1,0,0,1,0,0|1,0,0]=3 14736 B12R1.37 O=CCOCCCC1CCCC1 7a_100011215328_200015260668 [1,0,0,1,0,0|1,0,0]=3 14737 B12R1.37 O=CCOCCNC1CCCC1 34a_200000200444_200009817547 [1,0,0,1,0,0|2,0,0]=4 14738 B12R1.37 O=CCOCCOC1CCCC1 34a_100000738311_200009817547 [1,0,0,1,0,0|2,0,0]=4 14739 B12R1.37 O=CCOCCOC1CCCC1 7a_100000738311_200015260668 [1,0,0,1,0,0|2,0,0]=4 14740 B12R1.37 O=CCSCCCC1CCCC1 62a_100011713738_200015260668 [1,0,0,1,0,0|1,0,0]=3 14741 B12R1.37 O=CCSCCCC1CCCC1 62a_200015260668_100011713738 [1,0,0,1,0,0|1,0,0]=3 14742 B12R1.37 O=CCSCCCN1CCCC1 62a_100016991639_200015260668 [1,0,0,1,0,0|2,0,0]=4 14743 B12R1.37 O=CCSCCCN1CCCC1 62a_200015260668_100011445909 [1,0,0,1,0,0|2,0,0]=4 14744 B12R1.37 OCCCCCCN1CCCC1 2230a_100000188435_100000766143 [1,0,0,1,0,0|1,0,1]=4 14745 B12R1.37 OCCCCCCN1CCCC1 269982a_100000188435_100000766143 [1,0,0,1,0,0|1,0,1]=4 14746 B12R1.37 OCCCCCNC1CCCC1 2230a_100000211070_100000746330 [1,0,0,1,0,0|1,0,1]=4 14747 B12R1.37 OCCCCCNC1CCCC1 2230a_100000762737_100000179811 [1,0,0,1,0,0|1,0,1]=4 14748 B12R1.37 OCCCCCNC1CCCC1 270004a_100000762737_100000210133 [1,0,0,1,0,0|1,0,1]=4 14749 B12R1.37 OCCCCCNC1CCCC1 34a_100000211070_100000746330 [1,0,0,1,0,0|1,0,1]=4 14750 B12R1.37 OCCCCCNC1CCCC1 34a_100000762737_100000179811 [1,0,0,1,0,0|1,0,1]=4 14751 B12R1.37 OCCCCCOC1CCCC1 34a_100000210269_100000746330 [1,0,0,1,0,0|1,0,1]=4 14752 B12R1.37 OCCCCCOC1CCCC1 7a_100000210269_100000746330 [1,0,0,1,0,0|1,0,1]=4 14753 B12R1.37 OCCCCCSC1CCCC1 62a_100000746330_100000179811 [1,0,0,1,0,0|1,0,1]=4 14754 B12R1.37 OCCCCCSC1CCCC1 62a_100011217020_100000746330 [1,0,0,1,0,0|1,0,1]=4 14755 B12R1.37 OCCCCNCC1CCCC1 2230a_100000737975_100000210776 [1,0,0,1,0,0|1,0,1]=4 14756 B12R1.37 OCCCCNCC1CCCC1 2230a_100000750430_100000740388 [1,0,0,1,0,0|1,0,1]=4 14757 B12R1.37 OCCCCNCC1CCCC1 269862a_100000750430_100000746403 [1,0,0,1,0,0|1,0,1]=4 14758 B12R1.37 OCCCCNCC1CCCC1 34a_100000737975_100011216708 [1,0,0,1,0,0|1,0,1]=4 14759 B12R1.37 OCCCCNCC1CCCC1 34a_100000750430_100000740388 [1,0,0,1,0,0|1,0,1]=4 14760 B12R1.37 OCCCCOCC1CCCC1 34a_100000742336_100011216708 [1,0,0,1,0,0|1,0,1]=4 14761 B12R1.37 OCCCCOCC1CCCC1 7a_100000742336_100000210776 [1,0,0,1,0,0|1,0,1]=4 14762 B12R1.37 OCCCCSCC1CCCC1 62a_100000210776_100000740388 [1,0,0,1,0,0|1,0,1]=4 14763 B12R1.37 OCCCCSCC1CCCC1 62a_100000740388_100000210776 [1,0,0,1,0,0|1,0,1]=4 14764 B12R1.37 OCCCNCCC1CCCC1 2230a_100000739158_100000230001 [1,0,0,1,0,0|1,0,1]=4 14765 B12R1.37 OCCCNCCC1CCCC1 34a_100000739158_100000230001 [1,0,0,1,0,0|1,0,1]=4 14766 B12R1.37 OCCCOCCC1CCCC1 34a_100000749090_100000230001 [1,0,0,1,0,0|1,0,1]=4 14767 B12R1.37 OCCCOCCC1CCCC1 7a_100000749090_100011215043 [1,0,0,1,0,0|1,0,1]=4 14768 B12R1.37 OCCCSCCC1CCCC1 62a_100000760354_100011215043 [1,0,0,1,0,0|1,0,1]=4 14769 B12R1.37 OCCCSCCC1CCCC1 62a_100011215043_100000760354 [1,0,0,1,0,0|1,0,1]=4 14770 B12R1.37 OCCNCCCC1CCCC1 2230a_100000736752_100000211926 [1,0,0,1,0,0|1,0,1]=4 14771 B12R1.37 OCCNCCCC1CCCC1 2230a_100016997473_100011713738 [1,0,0,1,0,0|1,0,1]=4 14772 B12R1.37 OCCNCCCC1CCCC1 34a_100000736752_100000211926 [1,0,0,1,0,0|1,0,1]=4 14773 B12R1.37 OCCNCCCC1CCCC1 34a_100016990907_100011713738 [1,0,0,1,0,0|1,0,1]=4 14774 B12R1.37 OCCOCCCC1CCCC1 34a_100011215328_100000211926 [1,0,0,1,0,0|1,0,1]=4 14775 B12R1.37 OCCOCCCC1CCCC1 7a_100011215328_100000211926 [1,0,0,1,0,0|1,0,1]=4 14776 B12R1.37 OCCSCCCC1CCCC1 62a_100000211926_100011713738 [1,0,0,1,0,0|1,0,1]=4 14777 B12R1.37 OCCSCCCC1CCCC1 62a_100011713738_100000211926 [1,0,0,1,0,0|1,0,1]=4 14778 B12R1.45 C=CCCCN1CCCC1CC 2230a_100000754278_100011713584 [1,0,0,1,0,0|2,0,0]=4 14779 B12R1.45 C=CCCCN1CCCC1CC 269982a_100000754278_100000757094 [1,0,0,1,0,0|2,0,0]=4 14780 B12R1.45 C=CCCCN1CCCC1CC 34a_100000754278_100000757094 [1,0,0,1,0,0|2,0,0]=4 14781 B12R1.45 C=CCCNC1CCCC1CC 269862a_100015191253_100000749056 [1,0,0,1,0,0|2,0,0]=4 14782 B12R1.45 C=CCCNC1CCCC1CC 270004a_100015191253_100000749056 [1,0,0,1,0,0|2,0,0]=4 14783 B12R1.45 CCC1CCCC1NCCCO 269862a_100000182051_100000749056 [1,0,0,1,0,0|1,0,1]=4 14784 B12R1.45 CCC1CCCC1NCCCO 270004a_100000182051_100000749056 [1,0,0,1,0,0|1,0,1]=4 14785 B12R1.45 CCC1CCCN1CCCC=O 2230a_100000754278_200011292268 [1,0,0,1,0,0|1,0,0]=3 14786 B12R1.45 CCC1CCCN1CCCC=O 269982a_100000754278_200011292268 [1,0,0,1,0,0|1,0,0]=3 14787 B12R1.45 CCC1CCCN1CCCCO 2230a_100000754278_100000210776 [1,0,0,1,0,0|1,0,1]=4 14788 B12R1.45 CCC1CCCN1CCCCO 269982a_100000754278_100000210776 [1,0,0,1,0,0|1,0,1]=4 14789 B12R1.45 CCC1CCCN1CCCCO 34a_100000754278_100011216708 [1,0,0,1,0,0|1,0,1]=4 14790 B12R1.45 CCCCCC1CCCC1NC 269862a_106832991636_200000198059 [1,0,0,1,0,0|2,0,0]=4 14791 B12R1.45 CCCCCC1CCCC1NC 270004a_106832991635_200000198059 [1,0,0,1,0,0|2,0,0]=4 14792 B12R1.45 CCCCCN1CCC[C@@H]1CO 2230a_100000745186_100000210326 [1,0,0,1,0,0|1,0,1]=4 14793 B12R1.45 CCCCCN1CCC[C@@H]1CO 269982a_100000745186_100000210215 [1,0,0,1,0,0|1,0,1]=4 14794 B12R1.45 CCCCCN1CCC[C@@H]1CO 34a_100000745186_100000718602 [1,0,0,1,0,0|1,0,1]=4 14795 B12R1.45 CCN1CCCC1CNCC=O 2230a_100000211693_200015260668 [1,0,0,1,0,0|2,0,0]=4 14796 B12R1.45 CCN1CCC[C@@H]1COCC=O 34a_100011739246_200009817547 [1,0,0,1,0,0|2,0,0]=4 14797 B12R1.45 CCN1CCC[C@@H]1COCC=O 7a_100011739246_200015260668 [1,0,0,1,0,0|2,0,0]=4 14798 B12R1.45 O=CCCCN1CCC[C@@H]1CO 2230a_100000745186_200011292268 [1,0,0,1,0,0|2,0,0]=4 14799 B12R1.45 O=CCCCN1CCC[C@@H]1CO 269982a_100000745186_200011292268 [1,0,0,1,0,0|2,0,0]=4 14800 B12R1.121 C=CCCN1CCCCC1CC 2230a_100000210034_100000754431 [1,0,0,1,0,0|2,0,0]=4 14801 B12R1.121 C=CCCN1CCCCC1CC 269982a_100000210034_100000754431 [1,0,0,1,0,0|2,0,0]=4 14802 B12R1.121 C=CCCN1CCCCC1CC 34a_100000210034_100000754431 [1,0,0,1,0,0|2,0,0]=4 14803 B12R1.121 C=CCNC1CCCCC1CC 270004a_100020586998_100000757040 [1,0,0,1,0,0|2,0,0]=4 14804 B12R1.121 C=CCOC1CCCCC1CC 34a_100000210738_100015514636 [1,0,0,1,0,0|2,0,0]=4 14805 B12R1.121 C=CCOC1CCCCC1CC 7a_100000210738_100015514636 [1,0,0,1,0,0|2,0,0]=4 14806 B12R1.121 CCC1CCCCC1NCCO 269862a_100000210304_100000757040 [1,0,0,1,0,0|1,0,1]=4 14807 B12R1.121 CCC1CCCCC1NCCO 270004a_100000210304_100000757040 [1,0,0,1,0,0|1,0,1]=4 14808 B12R1.121 CCC1CCCCC1OCC=O 34a_100000210738_200009817547 [1,0,0,1,0,0|1,0,0]=3 14809 B12R1.121 CCC1CCCCC1OCC=O 7a_100000210738_200015260668 [1,0,0,1,0,0|1,0,0]=3 14810 B12R1.121 CCC1CCCCC1OCCO 34a_100000210738_100000211926 [1,0,0,1,0,0|1,0,1]=4 14811 B12R1.121 CCC1CCCCC1OCCO 7a_100000210738_100000211926 [1,0,0,1,0,0|1,0,1]=4 14812 B12R1.121 CCC1CCCCN1CCCO 2230a_100000210034_100000230001 [1,0,0,1,0,0|1,0,1]=4 14813 B12R1.121 CCC1CCCCN1CCCO 269982a_100000210034_100011215043 [1,0,0,1,0,0|1,0,1]=4 14814 B12R1.121 CCC1CCCCN1CCCO 34a_100000210034_100000230001 [1,0,0,1,0,0|1,0,1]=4 14815 B12R1.121 CCCCN1CCCCC1CO 2230a_100000210821_100000210211 [1,0,0,1,0,0|1,0,1]=4 14816 B12R1.121 CCCCN1CCCCC1CO 269982a_100000210821_100000210211 [1,0,0,1,0,0|1,0,1]=4 14817 B12R1.121 CCCCN1CCCCC1CO 34a_100000210821_100000210210 [1,0,0,1,0,0|1,0,1]=4 14818 B12R1.121 CCCNC1CCCCC1CO 270004a_100020643023_100009861125 [1,0,0,1,0,0|1,0,1]=4 14819 B12R1.121 CCN1CCCCC1CCCO 2230a_100011934581_100000210202 [1,0,0,1,0,0|1,0,1]=4 14820 B12R1.121 CCN1CCCCC1CCCO 269982a_100011934581_100000204670 [1,0,0,1,0,0|1,0,1]=4 14821 B12R1.121 CCN1CCCCC1CCCO 34a_100011934581_100000210202 [1,0,0,1,0,0|1,0,1]=4 14822 B12R1.121 CN[C@@H]1CCCC[C@H]1OCC=O 34a_100000708425_200009817547 [1,0,0,1,0,0|2,0,0]=4 14823 B12R1.121 COC1CCCCC1NCC=O 34a_100011208099_200009817547 [1,0,0,1,0,0|2,0,0]=4 14824 B12R1.121 CO[C@H]1CCCC[C@@H]1OCC=O 34a_200009815850_200009817547 [1,0,0,1,0,0|2,0,0]=4 14825 B12R1.121 CO[C@H]1CCCC[C@@H]1OCC=O 7a_200009815850_200015260668 [1,0,0,1,0,0|2,0,0]=4 14826 B12R1.121 NCC1CCCCC1OCC=O 34a_100011216029_200009817547 [1,0,0,1,0,0|2,0,0]=4 14827 B12R1.169 C=CCC1CCCCC1NCC 269862a_100015525214_100011214939 [1,0,0,1,0,0|2,0,0]=4 14828 B12R1.169 C=CCC1CCCCC1NCC 270004a_100015525214_100011214939 [1,0,0,1,0,0|2,0,0]=4 14829 B12R1.169 C=CCN1CCCCC1CCC 2230a_100000701414_100000210623 [1,0,0,1,0,0|2,0,0]=4 14830 B12R1.169 C=CCN1CCCCC1CCC 269982a_100000701414_100000210623 [1,0,0,1,0,0|2,0,0]=4 14831 B12R1.169 C=CCN1CCCCC1CCC 34a_100000701414_100015514636 [1,0,0,1,0,0|2,0,0]=4 14832 B12R1.169 CCCC1CCCCN1CC=O 2230a_100000701414_200015260668 [1,0,0,1,0,0|1,0,0]=3 14833 B12R1.169 CCCC1CCCCN1CC=O 269982a_100000701414_200015260668 [1,0,0,1,0,0|1,0,0]=3 14834 B12R1.169 CCCC1CCCCN1CC=O 34a_100000701414_200009817547 [1,0,0,1,0,0|1,0,0]=3 14835 B12R1.169 CCCC1CCCCN1CCO 2230a_100000701414_100000211926 [1,0,0,1,0,0|1,0,1]=4 14836 B12R1.169 CCCC1CCCCN1CCO 269982a_100000701414_100000211926 [1,0,0,1,0,0|1,0,1]=4 14837 B12R1.169 CCCC1CCCCN1CCO 34a_100000701414_100000211926 [1,0,0,1,0,0|1,0,1]=4 14838 B12R1.169 CCCC1COCCN1CC=O 2230a_102495339903_200015260668 [1,0,0,1,0,0|2,0,0]=4 14839 B12R1.169 CCCC1COCCN1CC=O 269982a_102495339903_200015260668 [1,0,0,1,0,0|2,0,0]=4 14840 B12R1.169 CCCC1COCCN1CC=O 34a_102495339903_200009817547 [1,0,0,1,0,0|2,0,0]=4 14841 B12R1.169 CCCN1CCCCC1CCO 2230a_100000211664_100000210303 [1,0,0,1,0,0|1,0,1]=4 14842 B12R1.169 CCCN1CCCCC1CCO 269982a_100000211664_100000210303 [1,0,0,1,0,0|1,0,1]=4 14843 B12R1.169 CCCN1CCCCC1CCO 34a_100000211664_100000210303 [1,0,0,1,0,0|1,0,1]=4 14844 B12R1.169 COCC1CCCCN1CC=O 2230a_100015184032_200015260668 [1,0,0,1,0,0|2,0,0]=4 14845 B12R1.169 COCC1CCCCN1CC=O 269982a_100015184032_200015260668 [1,0,0,1,0,0|2,0,0]=4 14846 B12R1.169 COCC1CCCCN1CC=O 34a_100015184032_200009817547 [1,0,0,1,0,0|2,0,0]=4 14847 B12R1.169 O=CCN1CCCCC1CCO 2230a_100000211664_200015260668 [1,0,0,1,0,0|2,0,0]=4 14848 B12R1.169 O=CCN1CCCCC1CCO 269982a_100000211664_200015260668 [1,0,0,1,0,0|2,0,0]=4 14849 B12R1.169 O=CCN1CCCCC1CCO 34a_100000211664_200009817547 [1,0,0,1,0,0|2,0,0]=4 14850 B12R1.173 C=CCN1CCCCCCCC1 2230a_100000039187_100000210623 [1,0,0,1,0,0|2,0,0]=4 14851 B12R1.173 C=CCN1CCCCCCCC1 269982a_100000039187_100000210623 [1,0,0,1,0,0|2,0,0]=4 14852 B12R1.173 C=CCN1CCCCCCCC1 34a_100000039187_100015514636 [1,0,0,1,0,0|2,0,0]=4 14853 B12R1.173 O=CCN1CCCCCCCC1 2230a_100000039187_200015260668 [1,0,0,1,0,0|1,0,0]=3 14854 B12R1.173 O=CCN1CCCCCCCC1 269982a_100000039187_200015260668 [1,0,0,1,0,0|1,0,0]=3 14855 B12R1.173 O=CCN1CCCCCCCC1 34a_100000039187_200009817547 [1,0,0,1,0,0|1,0,0]=3 14856 B12R1.173 OCCN1CCCCCCCC1 2230a_100000039187_100000211926 [1,0,0,1,0,0|1,0,1]=4 14857 B12R1.173 OCCN1CCCCCCCC1 269982a_100000039187_100000211926 [1,0,0,1,0,0|1,0,1]=4 14858 B12R1.173 OCCN1CCCCCCCC1 34a_100000039187_100000211926 [1,0,0,1,0,0|1,0,1]=4 14859 B12R1.267 C=CCCCN1CCCCC1C 2230a_100000211376_100011713584 [1,0,0,1,0,0|2,0,0]=4 14860 B12R1.267 C=CCCCN1CCCCC1C 269982a_100000211376_100000757094 [1,0,0,1,0,0|2,0,0]=4 14861 B12R1.267 C=CCCCN1CCCCC1C 34a_100000211376_100000757094 [1,0,0,1,0,0|2,0,0]=4 14862 B12R1.267 C=CCCNC1CCCCC1C 2230a_100000211402_100000754431 [1,0,0,1,0,0|2,0,0]=4 14863 B12R1.267 C=CCCNC1CCCCC1C 269862a_100015191253_100000210921 [1,0,0,1,0,0|2,0,0]=4 14864 B12R1.267 C=CCCNC1CCCCC1C 270004a_100015191253_100000210921 [1,0,0,1,0,0|2,0,0]=4 14865 B12R1.267 C=CCCNC1CCCCC1C 34a_100000211402_100000754431 [1,0,0,1,0,0|2,0,0]=4 14866 B12R1.267 C=CCCOC1CCCCC1C 34a_100000211207_100000754431 [1,0,0,1,0,0|2,0,0]=4 14867 B12R1.267 C=CCCOC1CCCCC1C 7a_100000211207_100000754431 [1,0,0,1,0,0|2,0,0]=4 14868 B12R1.267 CC1CCCCC1NCCCO 2230a_100000211402_100000230001 [1,0,0,1,0,0|1,0,1]=4 14869 B12R1.267 CC1CCCCC1NCCCO 269862a_100000182051_100000210921 [1,0,0,1,0,0|1,0,1]=4 14870 B12R1.267 CC1CCCCC1NCCCO 270004a_100000182051_100000210921 [1,0,0,1,0,0|1,0,1]=4 14871 B12R1.267 CC1CCCCC1NCCCO 34a_100000211402_100000230001 [1,0,0,1,0,0|1,0,1]=4 14872 B12R1.267 CC1CCCCC1OCCCO 34a_100000211207_100000230001 [1,0,0,1,0,0|1,0,1]=4 14873 B12R1.267 CC1CCCCC1OCCCO 7a_100000211207_100011215043 [1,0,0,1,0,0|1,0,1]=4 14874 B12R1.267 CC1CCCCN1CCCC=O 2230a_100000211376_200011292268 [1,0,0,1,0,0|1,0,0]=3 14875 B12R1.267 CC1CCCCN1CCCC=O 269982a_100000211376_200011292268 [1,0,0,1,0,0|1,0,0]=3 14876 B12R1.267 CC1CCCCN1CCCCO 2230a_100000211376_100000210776 [1,0,0,1,0,0|1,0,1]=4 14877 B12R1.267 CC1CCCCN1CCCCO 269982a_100000211376_100000210776 [1,0,0,1,0,0|1,0,1]=4 14878 B12R1.267 CC1CCCCN1CCCCO 34a_100000211376_100011216708 [1,0,0,1,0,0|1,0,1]=4 14879 B12R1.267 CCCCNC1CCCCC1=O 7a_106832991798_100000204591 [1,0,0,1,0,0|1,0,0]=3 14880 B12R1.267 CCCCNC1CCCNC1=O 2230a_100000102301_100000687798 [1,0,0,1,0,0|2,0,0]=4 14881 B12R1.267 CCCCNC1CCCNC1=O 2230a_100000747585_100000210211 [1,0,0,1,0,0|2,0,0]=4 14882 B12R1.267 CCCCNC1CCCNC1=O 34a_100000747585_100000210210 [1,0,0,1,0,0|2,0,0]=4 14883 B12R1.267 CCCCNC1CCCNC1=O 7a_106832991798_100000687798 [1,0,0,1,0,0|2,0,0]=4 14884 B12R1.267 CCCCNC1COCCC1=O 7a_106832991798_100012180262 [1,0,0,1,0,0|2,0,0]=4 14885 B12R1.267 CCCCOC1CCCCC1=O 34a_100000210227_100000754470 [1,0,0,1,0,0|1,0,0]=3 14886 B12R1.267 CCCCOC1CCCCC1=O 34a_100011214950_100000210210 [1,0,0,1,0,0|1,0,0]=3 14887 B12R1.267 CCCCOC1CCCCC1=O 7a_100000210227_100000204591 [1,0,0,1,0,0|1,0,0]=3 14888 B12R1.267 CCCCOC1CCCCC1O 34a_100000210227_100000038908 [1,0,0,1,0,0|1,0,1]=4 14889 B12R1.267 CCCCOC1CCCNC1=O 34a_100000073722_100000210210 [1,0,0,1,0,0|2,0,0]=4 14890 B12R1.267 CCCCOC1CCCNC1=O 34a_100000210227_100000687798 [1,0,0,1,0,0|2,0,0]=4 14891 B12R1.267 CCCCOC1CCCNC1=O 7a_100000210227_100000687798 [1,0,0,1,0,0|2,0,0]=4 14892 B12R1.267 CCCCOC1COCCC1=O 34a_100000210227_100012180262 [1,0,0,1,0,0|2,0,0]=4 14893 B12R1.267 CCCCOC1COCCC1=O 7a_100000210227_100012180262 [1,0,0,1,0,0|2,0,0]=4 14894 B12R1.267 CCCCSC1CCCCC1=O 62a_100000204591_100000210210 [1,0,0,1,0,0|1,0,0]=3 14895 B12R1.267 CCCCSC1CCCCC1=O 62a_100000210211_100000204591 [1,0,0,1,0,0|1,0,0]=3 14896 B12R1.267 CCCCSC1CCCCC1O 62a_100000038908_100000210210 [1,0,0,1,0,0|1,0,1]=4 14897 B12R1.267 CCCCSC1CCCCC1O 62a_100000210211_100000038908 [1,0,0,1,0,0|1,0,1]=4 14898 B12R1.267 CCCCSC1CCCNC1=O 62a_100000210211_100000687798 [1,0,0,1,0,0|2,0,0]=4 14899 B12R1.267 CCCCSC1CCCNC1=O 62a_100000687798_100000210210 [1,0,0,1,0,0|2,0,0]=4 14900 B12R1.267 CCCCSC1COCCC1=O 62a_100000210211_100012180262 [1,0,0,1,0,0|2,0,0]=4 14901 B12R1.267 CCCCSC1COCCC1=O 62a_100012180262_100000210210 [1,0,0,1,0,0|2,0,0]=4 14902 B12R1.267 CCCNCC1CCCCC1O 34a_100011216029_100000210303 [1,0,0,1,0,0|1,0,1]=4 14903 B12R1.267 CCCOCC1CCCCC1=O 34a_100009861125_100000210303 [1,0,0,1,0,0|1,0,0]=3 14904 B12R1.267 CCCOCC1CCCCC1=O 7a_100009861125_100000210303 [1,0,0,1,0,0|1,0,0]=3 14905 B12R1.267 CCNCCN1CCCCC1=O 2230a_100160573077_100000210202 [1,0,0,1,0,0|2,0,0]=4 14906 B12R1.267 CCNCCN1CCCCC1=O 34a_100160573077_100000210202 [1,0,0,1,0,0|2,0,0]=4 14907 B12R1.267 CCOCSC1CCCCC1=O 62a_100000204591_100000739092 [1,0,0,1,0,0|2,0,0]=4 14908 B12R1.267 CCOCSC1CCCCC1=O 62a_100000739092_100000204591 [1,0,0,1,0,0|2,0,0]=4 14909 B12R1.267 CN1CCCCC1CNCC=O 34a_100011228421_200009817547 [1,0,0,1,0,0|2,0,0]=4 14910 B12R1.267 CN1CCCCC1COCC=O 34a_100000225079_200009817547 [1,0,0,1,0,0|2,0,0]=4 14911 B12R1.267 CN1CCCCC1CSCC=O 62a_100015185383_200015260668 [1,0,0,1,0,0|2,0,0]=4 14912 B12R1.267 CN1CCCCC1CSCC=O 62a_200015260668_100015185383 [1,0,0,1,0,0|2,0,0]=4 14913 B12R1.267 COCCOC1CCCCC1=O 34a_100000210237_100000754470 [1,0,0,1,0,0|2,0,0]=4 14914 B12R1.267 COCCOC1CCCCC1=O 34a_100011214950_100011201679 [1,0,0,1,0,0|2,0,0]=4 14915 B12R1.267 COCCSC1CCCCC1=O 62a_100000204591_100000233755 [1,0,0,1,0,0|2,0,0]=4 14916 B12R1.267 COCCSC1CCCCC1=O 62a_100000233755_100000204591 [1,0,0,1,0,0|2,0,0]=4 14917 B12R1.267 CSCCOC1CCCCC1=O 34a_100000230434_100000754470 [1,0,0,1,0,0|2,0,0]=4 14918 B12R1.267 CSCCOC1CCCCC1=O 34a_100011214950_100000212216 [1,0,0,1,0,0|2,0,0]=4 14919 B12R1.267 CSCCOC1CCCCC1=O 7a_100000230434_100000204591 [1,0,0,1,0,0|2,0,0]=4 14920 B12R1.267 CSCCSC1CCCCC1=O 62a_100000204591_100000751147 [1,0,0,1,0,0|2,0,0]=4 14921 B12R1.267 CSCCSC1CCCCC1=O 62a_100000212216_100000204591 [1,0,0,1,0,0|2,0,0]=4 14922 B12R1.267 CSCOCC1CCCCC1=O 34a_100009861125_100011218213 [1,0,0,1,0,0|2,0,0]=4 14923 B12R1.267 C[C@H]1COCCN1CCCC=O 2230a_100009815349_200011292268 [1,0,0,1,0,0|2,0,0]=4 14924 B12R1.267 C[C@H]1COCCN1CCCC=O 269982a_100009815349_200011292268 [1,0,0,1,0,0|2,0,0]=4 14925 B12R1.267 NCCCOC1CCCCC1=O 34a_100000182051_100000754470 [1,0,0,1,0,0|2,0,0]=4 14926 B12R1.267 O=C1CCCCC1COCCF 34a_100009861125_100011217306 [1,0,0,1,0,0|2,0,0]=4 14927 B12R1.267 O=C1CCCCC1COCCF 7a_100009861125_100011217306 [1,0,0,1,0,0|2,0,0]=4 14928 B12R1.267 O=C1CCCCC1COCCO 34a_100009861125_100000211926 [1,0,0,1,0,0|2,0,0]=4 14929 B12R1.267 O=C1CCCCC1COCCO 7a_100009861125_100000211926 [1,0,0,1,0,0|2,0,0]=4 14930 B12R1.267 O=C1CCCCC1NCCCF 34a_100015189416_100000754470 [1,0,0,1,0,0|2,0,0]=4 14931 B12R1.267 O=C1CCCCC1OCCCBr 34a_100011217188_100000754470 [1,0,0,1,0,0|2,0,0]=4 14932 B12R1.267 O=C1CCCCC1OCCCCl 34a_100000230001_100000754470 [1,0,0,1,0,0|2,0,0]=4 14933 B12R1.267 O=C1CCCCC1OCCCF 34a_100000759539_100000754470 [1,0,0,1,0,0|2,0,0]=4 14934 B12R1.267 O=C1CCCCC1OCCCF 34a_100011214950_100011934791 [1,0,0,1,0,0|2,0,0]=4 14935 B12R1.267 O=C1CCCCC1OCCCO 34a_100011214950_100000230001 [1,0,0,1,0,0|2,0,0]=4 14936 B12R1.267 O=C1CCCCC1SCCCF 62a_100000204591_100011934791 [1,0,0,1,0,0|2,0,0]=4 14937 B12R1.267 O=C1CCCCC1SCCCF 62a_100011934791_100000204591 [1,0,0,1,0,0|2,0,0]=4 14938 B12R1.267 O=C1CCCCC1SCCCO 62a_100000204591_100011215043 [1,0,0,1,0,0|2,0,0]=4 14939 B12R1.267 O=C1CCCCC1SCCCO 62a_100011215043_100000204591 [1,0,0,1,0,0|2,0,0]=4 14940 B12R1.267 O=CCNCC1CCCCC1O 34a_100011216029_200009817547 [1,0,0,1,0,0|2,0,0]=4 14941 B12R1.271 C=CCCCCOCC1CC1C 34a_100000744939_100011215482 [1,0,0,1,0,0|2,0,0]=4 14942 B12R1.271 C=CCCCCOCC1CC1C 7a_100000744939_100011215482 [1,0,0,1,0,0|2,0,0]=4 14943 B12R1.271 CC1CC1COCCCCC=O 7a_100000744939_100000139335 [1,0,0,1,0,0|1,0,0]=3 14944 B12R1.271 CC1CC1COCCCCCO 34a_100000744939_100000746330 [1,0,0,1,0,0|1,0,1]=4 14945 B12R1.271 CC1CC1COCCCCCO 7a_100000744939_100000746330 [1,0,0,1,0,0|1,0,1]=4 14946 B12R1.271 O=CCCCCCN[C@@H]1C[C@@H]1F 2230a_100015190264_100000139337 [1,0,0,1,0,0|2,0,0]=4 14947 B12R1.271 O=CCCCCCN[C@@H]1C[C@H]1F 2230a_100025746932_100000139337 [1,0,0,1,0,0|2,0,0]=4 14948 B12R1.272 C=CCCCCCCN1CCC1 269982a_100000754969_100011215473 [1,0,0,1,0,0|2,0,0]=4 14949 B12R1.272 C=CCCCCCNC1CCC1 2230a_100000749019_100000700193 [1,0,0,1,0,0|2,0,0]=4 14950 B12R1.272 C=CCCCCCNC1CCC1 34a_100000749019_100000700193 [1,0,0,1,0,0|2,0,0]=4 14951 B12R1.272 C=CCCCCCOC1CCC1 34a_100000748187_100000700193 [1,0,0,1,0,0|2,0,0]=4 14952 B12R1.272 C=CCCCCCOC1CCC1 34a_100011216702_100000749161 [1,0,0,1,0,0|2,0,0]=4 14953 B12R1.272 C=CCCCCCSC1CCC1 62a_100000700193_100000749161 [1,0,0,1,0,0|2,0,0]=4 14954 B12R1.272 C=CCCCCNCC1CCC1 2230a_100000703577_100000763275 [1,0,0,1,0,0|2,0,0]=4 14955 B12R1.272 C=CCCCCNCC1CCC1 2230a_100000738700_100011215482 [1,0,0,1,0,0|2,0,0]=4 14956 B12R1.272 C=CCCCCNCC1CCC1 269862a_100000703577_100000753134 [1,0,0,1,0,0|2,0,0]=4 14957 B12R1.272 C=CCCCCNCC1CCC1 34a_100000703577_100000763275 [1,0,0,1,0,0|2,0,0]=4 14958 B12R1.272 C=CCCCCNCC1CCC1 34a_100000738700_100011215482 [1,0,0,1,0,0|2,0,0]=4 14959 B12R1.272 C=CCCCCOCC1CCC1 34a_100000760304_100011215482 [1,0,0,1,0,0|2,0,0]=4 14960 B12R1.272 C=CCCCCOCC1CCC1 34a_100000766645_100000763275 [1,0,0,1,0,0|2,0,0]=4 14961 B12R1.272 C=CCCCCOCC1CCC1 7a_100000766645_100000763275 [1,0,0,1,0,0|2,0,0]=4 14962 B12R1.272 C=CCCCCSCC1CCC1 62a_100000763275_100011215482 [1,0,0,1,0,0|2,0,0]=4 14963 B12R1.272 C=CCCCCSCC1CCC1 62a_100011215482_100000763275 [1,0,0,1,0,0|2,0,0]=4 14964 B12R1.272 CCCCCCNCC1CCO1 2230a_100000210581_100000103362 [1,0,0,1,0,0|1,0,1]=4 14965 B12R1.272 CCCCCCNC[C@@H]1CCO1 2230a_100020831831_100000210314 [1,0,0,1,0,0|1,0,1]=4 14966 B12R1.272 CCCCCCNC[C@@H]1CCO1 34a_100020831831_100000210314 [1,0,0,1,0,0|1,0,1]=4 14967 B12R1.272 CCCCCCOCC1CCO1 34a_100000039022_100000210314 [1,0,0,1,0,0|1,0,1]=4 14968 B12R1.272 CCCCCCOCC1CCO1 34a_100000210259_100000103362 [1,0,0,1,0,0|1,0,1]=4 14969 B12R1.272 CCCCCCOCC1CCO1 7a_100000210259_100000103362 [1,0,0,1,0,0|1,0,1]=4 14970 B12R1.272 CCCCCCSCC1CCO1 62a_100000103362_100000210757 [1,0,0,1,0,0|1,0,1]=4 14971 B12R1.272 CCCCCCSCC1CCO1 62a_100000210314_100000103362 [1,0,0,1,0,0|1,0,1]=4 14972 B12R1.272 O=CCCCCCNC1CCC1 2230a_100000749019_100000139337 [1,0,0,1,0,0|1,0,0]=3 14973 B12R1.272 O=CCCCCCNC1COC1 2230a_100016991112_100000139337 [1,0,0,1,0,0|2,0,0]=4 14974 B12R1.272 O=CCCCCCOC1CSC1 7a_100000072292_100000139337 [1,0,0,1,0,0|2,0,0]=4 14975 B12R1.272 O=CCCCCCSC1CCC1 62a_100000139337_100000749161 [1,0,0,1,0,0|1,0,0]=3 14976 B12R1.272 O=CCCCCCSC1COC1 62a_100000139337_100009818527 [1,0,0,1,0,0|2,0,0]=4 14977 B12R1.272 O=CCCCCNCC1CCC1 2230a_100000738700_100000139335 [1,0,0,1,0,0|1,0,0]=3 14978 B12R1.272 O=CCCCCNCC1COC1 2230a_100015281925_100000139335 [1,0,0,1,0,0|2,0,0]=4 14979 B12R1.272 O=CCCCCNC[C@@H]1CCO1 2230a_100020831831_100000139335 [1,0,0,1,0,0|2,0,0]=4 14980 B12R1.272 O=CCCCCSCC1CCC1 62a_100000139335_100000763275 [1,0,0,1,0,0|1,0,0]=3 14981 B12R1.272 O=CCCCCSCC1CCC1 62a_100000763275_100000139335 [1,0,0,1,0,0|1,0,0]=3 14982 B12R1.272 O=CCCCCSCC1CCO1 62a_100000103362_100000139335 [1,0,0,1,0,0|2,0,0]=4 14983 B12R1.272 O=CCCCCSCC1CCO1 62a_100000139335_100000103362 [1,0,0,1,0,0|2,0,0]=4 14984 B12R1.272 O=CCCCCSCC1COC1 62a_100000139335_100010264016 [1,0,0,1,0,0|2,0,0]=4 14985 B12R1.272 O=CCCCCSCC1COC1 62a_100010264016_100000139335 [1,0,0,1,0,0|2,0,0]=4 14986 B12R1.272 OCCCCCCCN1CCC1 269982a_100000754969_100000760002 [1,0,0,1,0,0|1,0,1]=4 14987 B12R1.272 OCCCCCCNC1CCC1 2230a_100000749019_100000766143 [1,0,0,1,0,0|1,0,1]=4 14988 B12R1.272 OCCCCCCNC1CCC1 270004a_100000686447_100000241760 [1,0,0,1,0,0|1,0,1]=4 14989 B12R1.272 OCCCCCCNC1CCC1 34a_100000686447_100000749161 [1,0,0,1,0,0|1,0,1]=4 14990 B12R1.272 OCCCCCCNC1CCC1 34a_100000749019_100000766143 [1,0,0,1,0,0|1,0,1]=4 14991 B12R1.272 OCCCCCCOC1CCC1 34a_100000748187_100000766143 [1,0,0,1,0,0|1,0,1]=4 14992 B12R1.272 OCCCCCCSC1CCC1 62a_100000766143_100000749161 [1,0,0,1,0,0|1,0,1]=4 14993 B12R1.272 OCCCCCNCC1CCC1 2230a_100000738700_100000746330 [1,0,0,1,0,0|1,0,1]=4 14994 B12R1.272 OCCCCCNCC1CCC1 2230a_100000762737_100000763275 [1,0,0,1,0,0|1,0,1]=4 14995 B12R1.272 OCCCCCNCC1CCC1 269862a_100000762737_100000753134 [1,0,0,1,0,0|1,0,1]=4 14996 B12R1.272 OCCCCCNCC1CCC1 34a_100000738700_100000746330 [1,0,0,1,0,0|1,0,1]=4 14997 B12R1.272 OCCCCCNCC1CCC1 34a_100000762737_100000763275 [1,0,0,1,0,0|1,0,1]=4 14998 B12R1.272 OCCCCCOCC1CCC1 34a_100000760304_100000746330 [1,0,0,1,0,0|1,0,1]=4 14999 B12R1.272 OCCCCCSCC1CCC1 62a_100000746330_100000763275 [1,0,0,1,0,0|1,0,1]=4 15000 B12R1.272 OCCCCCSCC1CCC1 62a_100000763275_100000746330 [1,0,0,1,0,0|1,0,1]=4 15001 B12R1.320 C=CCNC1CCCC1CCC 270004a_100020586998_100000723119 [1,0,0,1,0,0|2,0,0]=4 15002 B12R1.320 CCCC1CCCC1NCCO 269862a_100000210304_100000723119 [1,0,0,1,0,0|1,0,1]=4 15003 B12R1.320 CCCC1CCCC1NCCO 270004a_100000210304_100000723119 [1,0,0,1,0,0|1,0,1]=4 15004 B12R1.329 C=CCCN1CCCCCCC1 2230a_100000211400_100000754431 [1,0,0,1,0,0|2,0,0]=4 15005 B12R1.329 C=CCCN1CCCCCCC1 269982a_100000211400_100000754431 [1,0,0,1,0,0|2,0,0]=4 15006 B12R1.329 C=CCCN1CCCCCCC1 34a_100000211400_100000754431 [1,0,0,1,0,0|2,0,0]=4 15007 B12R1.329 C=CCNC1CCCCCCC1 2230a_100000211152_100000210623 [1,0,0,1,0,0|2,0,0]=4 15008 B12R1.329 C=CCNC1CCCCCCC1 270004a_100020586998_100000210524 [1,0,0,1,0,0|2,0,0]=4 15009 B12R1.329 C=CCNC1CCCCCCC1 34a_100000211152_100015514636 [1,0,0,1,0,0|2,0,0]=4 15010 B12R1.329 C=CCOC1CCCCCCC1 34a_100000210054_100015514636 [1,0,0,1,0,0|2,0,0]=4 15011 B12R1.329 C=CCOC1CCCCCCC1 7a_100000210054_100015514636 [1,0,0,1,0,0|2,0,0]=4 15012 B12R1.329 CCCOC1C=CCCCCC1 34a_100000688657_100000210303 [1,0,0,1,0,0|2,0,0]=4 15013 B12R1.329 CNCCC1CCCCCCC1 2230a_100011532352_200000210301 [1,0,0,1,0,0|2,0,0]=4 15014 B12R1.329 CNCCC1CCCCCCC1 34a_100011532352_200000210301 [1,0,0,1,0,0|2,0,0]=4 15015 B12R1.329 O=CCNC1CCCCCCC1 2230a_100000211152_200015260668 [1,0,0,1,0,0|1,0,0]=3 15016 B12R1.329 O=CCNC1CCCCCCC1 34a_100000211152_200009817547 [1,0,0,1,0,0|1,0,0]=3 15017 B12R1.329 O=CCOC1CCCCCCC1 34a_100000210054_200009817547 [1,0,0,1,0,0|1,0,0]=3 15018 B12R1.329 O=CCOC1CCCCCCC1 7a_100000210054_200015260668 [1,0,0,1,0,0|1,0,0]=3 15019 B12R1.329 OCCCN1CCCCCCC1 2230a_100000211400_100000230001 [1,0,0,1,0,0|1,0,1]=4 15020 B12R1.329 OCCCN1CCCCCCC1 269982a_100000211400_100011215043 [1,0,0,1,0,0|1,0,1]=4 15021 B12R1.329 OCCCN1CCCCCCC1 34a_100000211400_100000230001 [1,0,0,1,0,0|1,0,1]=4 15022 B12R1.329 OCCNC1CCCCCCC1 2230a_100000211152_100000211926 [1,0,0,1,0,0|1,0,1]=4 15023 B12R1.329 OCCNC1CCCCCCC1 270004a_100000210304_100000210524 [1,0,0,1,0,0|1,0,1]=4 15024 B12R1.329 OCCNC1CCCCCCC1 34a_100000211152_100000211926 [1,0,0,1,0,0|1,0,1]=4 15025 B12R1.329 OCCOC1CCCCCCC1 34a_100000210054_100000211926 [1,0,0,1,0,0|1,0,1]=4 15026 B12R1.329 OCCOC1CCCCCCC1 7a_100000210054_100000211926 [1,0,0,1,0,0|1,0,1]=4 15027 B12R1.329 [13CH3]NCCC1CCCCCCC1 2230a_100011532352_200025704644 [1,0,0,1,0,0|2,0,0]=4 15028 B12R1.329 [13CH3]NCCC1CCCCCCC1 34a_100011532352_200025704644 [1,0,0,1,0,0|2,0,0]=4 15029 B12R1.372 C=CCCCCN1CCC[C@@H]1C 2230a_100020605311_100011215482 [1,0,0,1,0,0|2,0,0]=4 15030 B12R1.372 C=CCCCCN1CCC[C@@H]1C 269982a_100020605311_100011215482 [1,0,0,1,0,0|2,0,0]=4 15031 B12R1.372 C=CCCCCN1CCC[C@H]1C 2230a_100015189458_100011215482 [1,0,0,1,0,0|2,0,0]=4 15032 B12R1.372 C=CCCCCN1CCC[C@H]1C 269982a_100015189458_100011215482 [1,0,0,1,0,0|2,0,0]=4 15033 B12R1.372 C=CCCCCN1CCC[C@H]1C 34a_100015189458_100011215482 [1,0,0,1,0,0|2,0,0]=4 15034 B12R1.372 C=CCCCNC1CCCC1C 269862a_100000700776_100000752053 [1,0,0,1,0,0|2,0,0]=4 15035 B12R1.372 C=CCCCOC1CCCC1C 34a_100011216460_100000757094 [1,0,0,1,0,0|2,0,0]=4 15036 B12R1.372 C=CCCCOC1CCCC1C 7a_100011216460_100000757094 [1,0,0,1,0,0|2,0,0]=4 15037 B12R1.372 CC1CCCC1NCCCCO 269862a_100000750430_100000752053 [1,0,0,1,0,0|1,0,1]=4 15038 B12R1.372 CC1CCCC1OCCCC=O 7a_100011216460_200011292268 [1,0,0,1,0,0|1,0,0]=3 15039 B12R1.372 CC1CCCC1OCCCCO 34a_100011216460_100011216708 [1,0,0,1,0,0|1,0,1]=4 15040 B12R1.372 CC1CCCC1OCCCCO 7a_100011216460_100000210776 [1,0,0,1,0,0|1,0,1]=4 15041 B12R1.372 CC1SCCN1CCCCC=O 2230a_200011216479_100000139335 [1,0,0,1,0,0|2,0,0]=4 15042 B12R1.372 CC1SCCN1CCCCC=O 269982a_200011216479_100000139335 [1,0,0,1,0,0|2,0,0]=4 15043 B12R1.372 CCCCCNC1CCCC1=O 2230a_100000209983_100000211823 [1,0,0,1,0,0|1,0,0]=3 15044 B12R1.372 CCCCCNC1CCNC1=O 2230a_100016995588_100000210326 [1,0,0,1,0,0|2,0,0]=4 15045 B12R1.372 CCCCCNC1CCNC1=O 34a_100016995588_100000718602 [1,0,0,1,0,0|2,0,0]=4 15046 B12R1.372 CCCCCNC1CCOC1=O 2230a_100000209983_100000211211 [1,0,0,1,0,0|2,0,0]=4 15047 B12R1.372 CCCCCOC1CCCC1=O 34a_100000210253_100000709159 [1,0,0,1,0,0|1,0,0]=3 15048 B12R1.372 CCCCCOC1CCCC1=O 34a_200000719330_100000718602 [1,0,0,1,0,0|1,0,0]=3 15049 B12R1.372 CCCCCOC1CCCC1=O 7a_100000210253_100000211823 [1,0,0,1,0,0|1,0,0]=3 15050 B12R1.372 CCCCCOC1CCOC1=O 34a_100000210253_100000211211 [1,0,0,1,0,0|2,0,0]=4 15051 B12R1.372 CCCCCOC1CCOC1=O 7a_100000210253_100000211211 [1,0,0,1,0,0|2,0,0]=4 15052 B12R1.372 CCCCCO[C@H]1CCNC1=O 34a_100000688343_100000718602 [1,0,0,1,0,0|2,0,0]=4 15053 B12R1.372 CCCCCSC1CCCC1=O 62a_100000210326_100000211823 [1,0,0,1,0,0|1,0,0]=3 15054 B12R1.372 CCCCCSC1CCCC1=O 62a_100000211823_100000210326 [1,0,0,1,0,0|1,0,0]=3 15055 B12R1.372 CCCCCSC1CCOC1=O 62a_100000210326_100000211211 [1,0,0,1,0,0|2,0,0]=4 15056 B12R1.372 CCCCCSC1CCOC1=O 62a_100000211211_100000210326 [1,0,0,1,0,0|2,0,0]=4 15057 B12R1.372 CCCCCS[C@@H]1CCC[C@H]1O 62a_100000210326_200016002552 [1,0,0,1,0,0|1,0,1]=4 15058 B12R1.372 CCCCCS[C@@H]1CCC[C@H]1O 62a_200016002552_100000210326 [1,0,0,1,0,0|1,0,1]=4 15059 B12R1.372 CCCCOCC1CCNC1=O 34a_100000133458_100000210210 [1,0,0,1,0,0|2,0,0]=4 15060 B12R1.372 CCCCSCN1CCCC1=O 62a_100000026320_100000210210 [1,0,0,1,0,0|2,0,0]=4 15061 B12R1.372 CCCCSCN1CCCC1=O 62a_100000210211_100000026320 [1,0,0,1,0,0|2,0,0]=4 15062 B12R1.372 CCCNCCN1CCCC1=O 2230a_100011200922_100000210303 [1,0,0,1,0,0|2,0,0]=4 15063 B12R1.372 CCCOCCN1CCCC1=O 34a_100000210258_100000739059 [1,0,0,1,0,0|2,0,0]=4 15064 B12R1.372 CCCOCCN1CCCC1=O 34a_100000211209_100000210303 [1,0,0,1,0,0|2,0,0]=4 15065 B12R1.372 CCCOCCN1CCCC1=O 7a_100000211209_100000210303 [1,0,0,1,0,0|2,0,0]=4 15066 B12R1.372 CCCSCCN1CCCC1=O 62a_100000210303_100000739059 [1,0,0,1,0,0|2,0,0]=4 15067 B12R1.372 CCCSCCN1CCCC1=O 62a_100000739059_100000210303 [1,0,0,1,0,0|2,0,0]=4 15068 B12R1.372 CCNCCCN1CCCC1=O 2230a_100000210347_100000210202 [1,0,0,1,0,0|2,0,0]=4 15069 B12R1.372 CCNCCCN1CCCC1=O 34a_100000210347_100000210202 [1,0,0,1,0,0|2,0,0]=4 15070 B12R1.372 CCOCCCN1CCCC1=O 34a_100011216539_100000210202 [1,0,0,1,0,0|2,0,0]=4 15071 B12R1.372 CCOCCCN1CCCC1=O 7a_100011216539_100000210202 [1,0,0,1,0,0|2,0,0]=4 15072 B12R1.372 CCOCCNC1CCCC1=O 2230a_102516460346_100000211823 [1,0,0,1,0,0|2,0,0]=4 15073 B12R1.372 CCOCCNC1CCCC1=O 34a_102516460346_100000709159 [1,0,0,1,0,0|2,0,0]=4 15074 B12R1.372 CCOCCOC1CCCC1=O 34a_100000210136_100000709159 [1,0,0,1,0,0|2,0,0]=4 15075 B12R1.372 CCOCCOC1CCCC1=O 34a_200000719330_100000210147 [1,0,0,1,0,0|2,0,0]=4 15076 B12R1.372 CCOCCOC1CCCC1=O 7a_100000210136_100000211823 [1,0,0,1,0,0|2,0,0]=4 15077 B12R1.372 CCOCCSC1CCCC1=O 62a_100000210147_100000211823 [1,0,0,1,0,0|2,0,0]=4 15078 B12R1.372 CCOCCSC1CCCC1=O 62a_100000211823_100011215890 [1,0,0,1,0,0|2,0,0]=4 15079 B12R1.372 CCSCCNC1CCCC1=O 2230a_100000106463_100000211823 [1,0,0,1,0,0|2,0,0]=4 15080 B12R1.372 CCSCCOC1CCCC1=O 34a_100000212035_100000709159 [1,0,0,1,0,0|2,0,0]=4 15081 B12R1.372 CCSCCOC1CCCC1=O 34a_200000719330_100000757381 [1,0,0,1,0,0|2,0,0]=4 15082 B12R1.372 CCSCCOC1CCCC1=O 7a_100000212035_100000211823 [1,0,0,1,0,0|2,0,0]=4 15083 B12R1.372 CCSCCSC1CCCC1=O 62a_100000211823_100000757381 [1,0,0,1,0,0|2,0,0]=4 15084 B12R1.372 CCSCCSC1CCCC1=O 62a_100000757381_100000211823 [1,0,0,1,0,0|2,0,0]=4 15085 B12R1.372 CN1CCCC1CCOCC=O 34a_100011215177_200009817547 [1,0,0,1,0,0|2,0,0]=4 15086 B12R1.372 CN1CCCC1CCOCC=O 7a_100011215177_200015260668 [1,0,0,1,0,0|2,0,0]=4 15087 B12R1.372 CN1CCCC1CCSCC=O 62a_100000005710_200015260668 [1,0,0,1,0,0|2,0,0]=4 15088 B12R1.372 CN1CCCC1CCSCC=O 62a_200015260668_100000005710 [1,0,0,1,0,0|2,0,0]=4 15089 B12R1.372 CNCCCOC1CCCC1=O 34a_100000213112_100000709159 [1,0,0,1,0,0|2,0,0]=4 15090 B12R1.372 COCCCNC1CCCC1=O 34a_100150723488_100000709159 [1,0,0,1,0,0|2,0,0]=4 15091 B12R1.372 COCCCOC1CCCC1=O 34a_100000740835_100000709159 [1,0,0,1,0,0|2,0,0]=4 15092 B12R1.372 COCCCOC1CCCC1=O 34a_200000719330_100000740836 [1,0,0,1,0,0|2,0,0]=4 15093 B12R1.372 COCCCSC1CCCC1=O 62a_100000211823_100000709357 [1,0,0,1,0,0|2,0,0]=4 15094 B12R1.372 COCCCSC1CCCC1=O 62a_100000709357_100000211823 [1,0,0,1,0,0|2,0,0]=4 15095 B12R1.372 CSCCCNC1CCCC1=O 2230a_100000749238_100000211823 [1,0,0,1,0,0|2,0,0]=4 15096 B12R1.372 CSCCCOC1CCCC1=O 34a_100000690336_100000709159 [1,0,0,1,0,0|2,0,0]=4 15097 B12R1.372 CSCCCOC1CCCC1=O 7a_100000690336_100000211823 [1,0,0,1,0,0|2,0,0]=4 15098 B12R1.372 C[C@@H]1CCCN1CCCCC=O 2230a_100015189458_100000139335 [1,0,0,1,0,0|1,0,0]=3 15099 B12R1.372 C[C@@H]1CCCN1CCCCC=O 269982a_100015189458_100000139335 [1,0,0,1,0,0|1,0,0]=3 15100 B12R1.372 C[C@@H]1CCCN1CCCCCO 2230a_100015189458_100000746330 [1,0,0,1,0,0|1,0,1]=4 15101 B12R1.372 C[C@@H]1CCCN1CCCCCO 269982a_100015189458_100000746330 [1,0,0,1,0,0|1,0,1]=4 15102 B12R1.372 C[C@@H]1CCCN1CCCCCO 34a_100015189458_100000746330 [1,0,0,1,0,0|1,0,1]=4 15103 B12R1.372 C[C@H]1CCCN1CCCCC=O 2230a_100020605311_100000139335 [1,0,0,1,0,0|1,0,0]=3 15104 B12R1.372 C[C@H]1CCCN1CCCCC=O 269982a_100020605311_100000139335 [1,0,0,1,0,0|1,0,0]=3 15105 B12R1.372 C[C@H]1CCCN1CCCCCO 2230a_100020605311_100000746330 [1,0,0,1,0,0|1,0,1]=4 15106 B12R1.372 C[C@H]1CCCN1CCCCCO 269982a_100020605311_100000746330 [1,0,0,1,0,0|1,0,1]=4 15107 B12R1.372 NCCCCOC1CCCC1=O 34a_100000750430_100000709159 [1,0,0,1,0,0|2,0,0]=4 15108 B12R1.372 O=C1CCCC1NCCCCO 2230a_100000750430_100000211823 [1,0,0,1,0,0|2,0,0]=4 15109 B12R1.372 O=C1CCCC1NCCCCO 34a_100000750430_100000709159 [1,0,0,1,0,0|2,0,0]=4 15110 B12R1.372 O=C1CCCC1OCCCCBr 34a_100011216708_100000709159 [1,0,0,1,0,0|2,0,0]=4 15111 B12R1.372 O=C1CCCC1OCCCCCl 34a_100000210776_100000709159 [1,0,0,1,0,0|2,0,0]=4 15112 B12R1.372 O=C1CCCC1OCCCCCl 7a_100000210776_100000211823 [1,0,0,1,0,0|2,0,0]=4 15113 B12R1.372 O=C1CCCC1OCCCCF 34a_100011995726_100000709159 [1,0,0,1,0,0|2,0,0]=4 15114 B12R1.372 O=C1CCCC1OCCCCF 34a_200000719330_100000729493 [1,0,0,1,0,0|2,0,0]=4 15115 B12R1.372 O=C1CCCC1OCCCCF 7a_100011995726_100000211823 [1,0,0,1,0,0|2,0,0]=4 15116 B12R1.372 O=C1CCCC1OCCCCI 34a_200012148704_100000709159 [1,0,0,1,0,0|2,0,0]=4 15117 B12R1.372 O=C1CCCC1OCCCCO 34a_200000719330_100011216708 [1,0,0,1,0,0|2,0,0]=4 15118 B12R1.372 O=C1CCCC1SCCCCF 62a_100000211823_100000729493 [1,0,0,1,0,0|2,0,0]=4 15119 B12R1.372 O=C1CCCC1SCCCCF 62a_100000729493_100000211823 [1,0,0,1,0,0|2,0,0]=4 15120 B12R1.372 O=C1CCCC1SCCCCO 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C=CCCCN1CCCCCC1 269982a_100000185865_100000757094 [1,0,0,1,0,0|2,0,0]=4 15262 B12R1.1414 C=CCCCN1CCCCCC1 34a_100000185865_100000757094 [1,0,0,1,0,0|2,0,0]=4 15263 B12R1.1414 C=CCCNC1CCCCCC1 2230a_100000210984_100000754431 [1,0,0,1,0,0|2,0,0]=4 15264 B12R1.1414 C=CCCNC1CCCCCC1 270004a_100015191253_100000210131 [1,0,0,1,0,0|2,0,0]=4 15265 B12R1.1414 C=CCCNC1CCCCCC1 34a_100000210984_100000754431 [1,0,0,1,0,0|2,0,0]=4 15266 B12R1.1414 C=CCCOC1CCCCCC1 34a_100000210887_100000754431 [1,0,0,1,0,0|2,0,0]=4 15267 B12R1.1414 C=CCCOC1CCCCCC1 34a_100011205117_100011217769 [1,0,0,1,0,0|2,0,0]=4 15268 B12R1.1414 C=CCCOC1CCCCCC1 7a_100000210887_100000754431 [1,0,0,1,0,0|2,0,0]=4 15269 B12R1.1414 C=CCCSC1CCCCCC1 62a_100000754431_100011217769 [1,0,0,1,0,0|2,0,0]=4 15270 B12R1.1414 C=CCCSC1CCCCCC1 62a_100011217769_100000754431 [1,0,0,1,0,0|2,0,0]=4 15271 B12R1.1414 C=CCNCC1CCCCCC1 2230a_100015204231_100000210623 [1,0,0,1,0,0|2,0,0]=4 15272 B12R1.1414 C=CCNCC1CCCCCC1 2230a_100020586998_200000696569 [1,0,0,1,0,0|2,0,0]=4 15273 B12R1.1414 C=CCNCC1CCCCCC1 34a_100015204231_100015514636 [1,0,0,1,0,0|2,0,0]=4 15274 B12R1.1414 C=CCOCC1CCCCCC1 34a_100000699130_100015514636 [1,0,0,1,0,0|2,0,0]=4 15275 B12R1.1414 C=CCOCC1CCCCCC1 34a_200000210373_200000696569 [1,0,0,1,0,0|2,0,0]=4 15276 B12R1.1414 C=CCOCC1CCCCCC1 7a_100000699130_100015514636 [1,0,0,1,0,0|2,0,0]=4 15277 B12R1.1414 C=CCSCC1CCCCCC1 62a_100000210623_200000696569 [1,0,0,1,0,0|2,0,0]=4 15278 B12R1.1414 C=CCSCC1CCCCCC1 62a_200000696569_100000210623 [1,0,0,1,0,0|2,0,0]=4 15279 B12R1.1414 O=CCCCN1CCCCCC1 2230a_100000185865_200011292268 [1,0,0,1,0,0|1,0,0]=3 15280 B12R1.1414 O=CCCCN1CCCCCC1 269982a_100000185865_200011292268 [1,0,0,1,0,0|1,0,0]=3 15281 B12R1.1414 O=CCCCN1CCCOCC1 2230a_100000685342_200011292268 [1,0,0,1,0,0|2,0,0]=4 15282 B12R1.1414 O=CCCCN1CCCOCC1 269982a_100000685342_200011292268 [1,0,0,1,0,0|2,0,0]=4 15283 B12R1.1414 O=CCNCC1CCCCCC1 2230a_100015204231_200015260668 [1,0,0,1,0,0|1,0,0]=3 15284 B12R1.1414 O=CCNCC1CCCCCC1 34a_100015204231_200009817547 [1,0,0,1,0,0|1,0,0]=3 15285 B12R1.1414 O=CCOCC1CCCCCC1 34a_100000699130_200009817547 [1,0,0,1,0,0|1,0,0]=3 15286 B12R1.1414 O=CCOCC1CCCCCC1 7a_100000699130_200015260668 [1,0,0,1,0,0|1,0,0]=3 15287 B12R1.1414 O=CCSCC1CCCCCC1 62a_200000696569_200015260668 [1,0,0,1,0,0|1,0,0]=3 15288 B12R1.1414 O=CCSCC1CCCCCC1 62a_200015260668_200000696569 [1,0,0,1,0,0|1,0,0]=3 15289 B12R1.1414 OCCCCN1CCCCCC1 2230a_100000185865_100000210776 [1,0,0,1,0,0|1,0,1]=4 15290 B12R1.1414 OCCCCN1CCCCCC1 269982a_100000185865_100000210776 [1,0,0,1,0,0|1,0,1]=4 15291 B12R1.1414 OCCCCN1CCCCCC1 34a_100000185865_100011216708 [1,0,0,1,0,0|1,0,1]=4 15292 B12R1.1414 OCCCNC1CCCCCC1 2230a_100000210984_100000230001 [1,0,0,1,0,0|1,0,1]=4 15293 B12R1.1414 OCCCNC1CCCCCC1 270004a_100000182051_100000210131 [1,0,0,1,0,0|1,0,1]=4 15294 B12R1.1414 OCCCNC1CCCCCC1 34a_100000210984_100000230001 [1,0,0,1,0,0|1,0,1]=4 15295 B12R1.1414 OCCCOC1CCCCCC1 34a_100000210887_100000230001 [1,0,0,1,0,0|1,0,1]=4 15296 B12R1.1414 OCCCOC1CCCCCC1 7a_100000210887_100011215043 [1,0,0,1,0,0|1,0,1]=4 15297 B12R1.1414 OCCCSC1CCCCCC1 62a_100011215043_100011217769 [1,0,0,1,0,0|1,0,1]=4 15298 B12R1.1414 OCCCSC1CCCCCC1 62a_100011217769_100011215043 [1,0,0,1,0,0|1,0,1]=4 15299 B12R1.1414 OCCNCC1CCCCCC1 2230a_100015204231_100000211926 [1,0,0,1,0,0|1,0,1]=4 15300 B12R1.1414 OCCNCC1CCCCCC1 2230a_100016997473_200000696569 [1,0,0,1,0,0|1,0,1]=4 15301 B12R1.1414 OCCNCC1CCCCCC1 269862a_100000210304_200000763224 [1,0,0,1,0,0|1,0,1]=4 15302 B12R1.1414 OCCNCC1CCCCCC1 34a_100015204231_100000211926 [1,0,0,1,0,0|1,0,1]=4 15303 B12R1.1414 OCCNCC1CCCCCC1 34a_100016990907_200000696569 [1,0,0,1,0,0|1,0,1]=4 15304 B12R1.1414 OCCOCC1CCCCCC1 34a_100000699130_100000211926 [1,0,0,1,0,0|1,0,1]=4 15305 B12R1.1414 OCCOCC1CCCCCC1 7a_100000699130_100000211926 [1,0,0,1,0,0|1,0,1]=4 15306 B12R1.1414 OCCSCC1CCCCCC1 62a_100000211926_200000696569 [1,0,0,1,0,0|1,0,1]=4 15307 B12R1.1414 OCCSCC1CCCCCC1 62a_200000696569_100000211926 [1,0,0,1,0,0|1,0,1]=4 15308 B12R1.7 CCCCCOC1CCC(=O)C1 34a_100012614533_100000718602 [1,0,0,1,0,0|2,0,0]=4 15309 B12R1.7 CCCCCOC1COC(=O)O1 34a_100000210253_100000032252 [1,0,0,1,0,0|2,0,0]=4 15310 B12R1.7 CCCCCSC1COC(=O)O1 62a_100000210326_100000032252 [1,0,0,1,0,0|2,0,0]=4 15311 B12R1.7 CCCCNCC1CNC(=O)O1 2230a_100000102301_100000181169 [1,0,0,1,0,0|2,0,0]=4 15312 B12R1.7 CCCCNCC1CNC(=O)O1 7a_106832991798_100000181169 [1,0,0,1,0,0|2,0,0]=4 15313 B12R1.7 CCCCNC[C@@H]1CCC(=O)N1 2230a_100000102301_100015189358 [1,0,0,1,0,0|2,0,0]=4 15314 B12R1.7 CCCCNC[C@@H]1CCC(=O)N1 7a_106832991798_100015189358 [1,0,0,1,0,0|2,0,0]=4 15315 B12R1.7 CCCCNC[C@H]1CCC(=O)N1 2230a_100015423886_100000210211 [1,0,0,1,0,0|2,0,0]=4 15316 B12R1.7 CCCCNC[C@H]1CCC(=O)N1 34a_100015423886_100000210210 [1,0,0,1,0,0|2,0,0]=4 15317 B12R1.7 CCCCOCC1CCC(=O)N1 34a_100000737831_100000210210 [1,0,0,1,0,0|2,0,0]=4 15318 B12R1.7 CCCCOCC1CNC(=O)O1 34a_100000210227_100000181169 [1,0,0,1,0,0|2,0,0]=4 15319 B12R1.7 CCCCOCC1CNC(=O)O1 34a_100011315639_100000210210 [1,0,0,1,0,0|2,0,0]=4 15320 B12R1.7 CCCCOCC1CNC(=O)O1 7a_100000210227_100000181169 [1,0,0,1,0,0|2,0,0]=4 15321 B12R1.7 CCCCOCC1COC(=O)O1 34a_100000210227_100000073702 [1,0,0,1,0,0|2,0,0]=4 15322 B12R1.7 CCCCOC[C@@H]1CCC(=O)N1 7a_100000210227_100015189358 [1,0,0,1,0,0|2,0,0]=4 15323 B12R1.7 CCCCSCC1CNC(=O)O1 62a_100000181169_100000210210 [1,0,0,1,0,0|2,0,0]=4 15324 B12R1.7 CCCCSCC1CNC(=O)O1 62a_100000210211_100000181169 [1,0,0,1,0,0|2,0,0]=4 15325 B12R1.7 CCCCSCC1COC(=O)O1 62a_100000073702_100000210210 [1,0,0,1,0,0|2,0,0]=4 15326 B12R1.7 CCCCSCC1COC(=O)O1 62a_100000210211_100000073702 [1,0,0,1,0,0|2,0,0]=4 15327 B12R1.7 CCCCSC[C@@H]1CCC(=O)N1 62a_100000210211_100015189358 [1,0,0,1,0,0|2,0,0]=4 15328 B12R1.7 CCCCSC[C@@H]1CCC(=O)N1 62a_100015189358_100000210210 [1,0,0,1,0,0|2,0,0]=4 15329 B12R1.28 CCCCOC1CCCC(=O)C1 34a_100012613340_100000210210 [1,0,0,1,0,0|2,0,0]=4 15330 B12R1.28 CCCOCC1CCCC(=O)N1 34a_200000102386_100000210303 [1,0,0,1,0,0|2,0,0]=4 15331 B12R1.62 CCCCCCSC1CC(=O)C1 62a_100009894365_100000210757 [1,0,0,1,0,0|2,0,0]=4 15332 B12R1.62 CCCCCNCC1CC(=O)C1 2230a_100000209983_100009874392 [1,0,0,1,0,0|2,0,0]=4 15333 B12R1.62 CCCCCOCC1CC(=O)C1 34a_100000101936_100000718602 [1,0,0,1,0,0|2,0,0]=4 15334 B12R1.62 CCCCCOCC1CC(=O)C1 7a_100000210253_100009874392 [1,0,0,1,0,0|2,0,0]=4 15335 B12R1.62 CCCCCSCC1CC(=O)C1 62a_100000210326_100009874392 [1,0,0,1,0,0|2,0,0]=4 15336 B12R1.62 CCCCCSCC1CC(=O)C1 62a_100009874392_100000210326 [1,0,0,1,0,0|2,0,0]=4 15337 B12R1.75 CCC1CCCCN1CC(=O)N 2230a_100000210034_100000747473 [1,0,0,1,0,0|2,0,0]=4 15338 B12R1.75 CCC1CCCCN1CC(=O)N 269982a_100000210034_100000187820 [1,0,0,1,0,0|2,0,0]=4 15339 B12R1.75 CCC1CCCCN1CC(=O)N 34a_100000210034_100000187820 [1,0,0,1,0,0|2,0,0]=4 15340 B12R1.75 CCC1CCCCN1CC(=O)[O-] 269982a_100000210034_100020667443 [1,0,0,1,0,0|1,0,1]=4 15341 B12R1.75 CCC1CCCCN1CC(=O)[O-] 34a_100000210034_100020667443 [1,0,0,1,0,0|1,0,1]=4 15342 B12R1.75 CCN1CCCCC1CC(=O)N 2230a_100015184752_100000210202 [1,0,0,1,0,0|2,0,0]=4 15343 B12R1.75 CCN1CCCCC1CC(=O)N 269982a_100015184752_100000204670 [1,0,0,1,0,0|2,0,0]=4 15344 B12R1.75 CCN1CCCCC1CC(=O)N 34a_100015184752_100000210202 [1,0,0,1,0,0|2,0,0]=4 15345 B12R1.81 CCC1CCCN1CCC(=O)C 269982a_100000754278_100000053229 [1,0,0,1,0,0|2,0,0]=4 15346 B12R1.81 CCC1CCCN1CCC(=O)N 2230a_100000754278_100000744528 [1,0,0,1,0,0|2,0,0]=4 15347 B12R1.81 CCC1CCCN1CCC(=O)N 269982a_100000754278_100000744528 [1,0,0,1,0,0|2,0,0]=4 15348 B12R1.81 CCC1CCCN1CCC(=O)N 34a_100000754278_100000731001 [1,0,0,1,0,0|2,0,0]=4 15349 B12R1.125 CC(=O)CCC1CCCCN1C 1458a_100000070787_100000211948 [1,0,0,1,0,0|2,0,0]=4 15350 B12R1.125 CC(=O)CCC1CCCCN1C 1458a_100000718493_200000210301 [1,0,0,1,0,0|2,0,0]=4 15351 B12R1.125 CC(=O)CCN1CCCCC1C 269982a_100000211376_100000053229 [1,0,0,1,0,0|2,0,0]=4 15352 B12R1.125 CC(=O)COC1CCCCC1C 1458a_100011223357_200000210301 [1,0,0,1,0,0|2,0,0]=4 15353 B12R1.125 CC1CCCCC1NCC(=O)N 2230a_100000211402_100000747473 [1,0,0,1,0,0|2,0,0]=4 15354 B12R1.125 CC1CCCCC1NCC(=O)N 34a_100000211402_100000187820 [1,0,0,1,0,0|2,0,0]=4 15355 B12R1.125 CC1CCCCC1NCC(=O)[O-] 34a_100000211402_100020667443 [1,0,0,1,0,0|1,0,1]=4 15356 B12R1.125 CC1CCCCC1OCC(=O)N 34a_100000211207_100000187820 [1,0,0,1,0,0|2,0,0]=4 15357 B12R1.125 CC1CCCCC1OCC(=O)N 7a_100000211207_100000187820 [1,0,0,1,0,0|2,0,0]=4 15358 B12R1.125 CC1CCCCC1OCC(=O)[13CH3] 1458a_100011223357_200025704644 [1,0,0,1,0,0|2,0,0]=4 15359 B12R1.125 CC1CCCCC1OCC(=O)[O-] 34a_100000211207_100020667443 [1,0,0,1,0,0|1,0,1]=4 15360 B12R1.125 CC1CCCCN1CCC(=O)N 2230a_100000211376_100000744528 [1,0,0,1,0,0|2,0,0]=4 15361 B12R1.125 CC1CCCCN1CCC(=O)N 269982a_100000211376_100000744528 [1,0,0,1,0,0|2,0,0]=4 15362 B12R1.125 CC1CCCCN1CCC(=O)N 34a_100000211376_100000731001 [1,0,0,1,0,0|2,0,0]=4 15363 B12R1.125 CN1CCCCC1CCC(=O)O 269956a_100000694054_200000210301 [1,0,0,1,0,0|1,0,0]=3 15364 B12R1.125 CN1CCCCC1CCC(=O)[13CH3] 1458a_100000718493_200025704644 [1,0,0,1,0,0|2,0,0]=4 15365 B12R1.125 O=C(O)CNC1CCCCC1F 269956a_100016091260_100015423560 [1,0,0,1,0,0|2,0,0]=4 15366 B12R1.125 O=C(O)CNC1CCCCC1O 269956a_100016091260_100000038908 [1,0,0,1,0,0|2,0,0]=4 15367 B12R1.125 [13CH3]N1CCCCC1CCC(=O)O 269956a_100000694054_200025704644 [1,0,0,1,0,0|1,0,0]=3 15368 B12R1.130 CC(=O)CCCN1CCC[C@@H]1C 269982a_100020605311_100011215641 [1,0,0,1,0,0|2,0,0]=4 15369 B12R1.130 CC(=O)CCCN1CCC[C@H]1C 269982a_100015189458_100011215641 [1,0,0,1,0,0|2,0,0]=4 15370 B12R1.130 CC(=O)CCCN1CCC[C@H]1C 34a_100015189458_100000685027 [1,0,0,1,0,0|2,0,0]=4 15371 B12R1.130 CC(=O)CCOC1CCCC1C 7a_100011216460_100000053229 [1,0,0,1,0,0|2,0,0]=4 15372 B12R1.130 CC1CCCC1NCCC(=O)N 269862a_100000740010_100000752053 [1,0,0,1,0,0|2,0,0]=4 15373 B12R1.130 CC1CCCC1OCCC(=O)N 34a_100011216460_100000731001 [1,0,0,1,0,0|2,0,0]=4 15374 B12R1.130 CC1CCCC1OCCC(=O)N 7a_100011216460_100000744528 [1,0,0,1,0,0|2,0,0]=4 15375 B12R1.130 C[C@@H]1CCCN1CCCC(=O)N 269982a_100015189458_100102525003 [1,0,0,1,0,0|2,0,0]=4 15376 B12R1.130 C[C@@H]1CCCN1CCCC(=O)N 34a_100015189458_100102525003 [1,0,0,1,0,0|2,0,0]=4 15377 B12R1.130 C[C@H]1CCCN1CCCC(=O)N 269982a_100020605311_100102525003 [1,0,0,1,0,0|2,0,0]=4 15378 B12R1.143 CC(=O)CCCOCC1CC1C 34a_100000744939_100000685027 [1,0,0,1,0,0|2,0,0]=4 15379 B12R1.143 CC(=O)CCCOCC1CC1C 7a_100000744939_100011215641 [1,0,0,1,0,0|2,0,0]=4 15380 B12R1.143 CC1CC1COCCCC(=O)N 34a_100000744939_100102525003 [1,0,0,1,0,0|2,0,0]=4 15381 B12R1.143 CC1CC1COCCCC(=O)N 7a_100000744939_100102525003 [1,0,0,1,0,0|2,0,0]=4 15382 B12R1.229 CC(=O)CCCCN1CCC1C 269982a_100000755817_100000735457 [1,0,0,1,0,0|2,0,0]=4 15383 B12R1.229 CC(=O)CCCCN1CCC1C 34a_100000755817_100009817362 [1,0,0,1,0,0|2,0,0]=4 15384 B12R1.252 CC(=O)CCCC1CCCCC1 1458a_100000070787_100011713725 [1,0,0,1,0,0|1,0,0]=3 15385 B12R1.252 CC(=O)CCCC1CCCCC1 1458a_100000211478_200000210301 [1,0,0,1,0,0|1,0,0]=3 15386 B12R1.252 CC(=O)CCCN1CCCCC1 1458a_100000070787_100000690320 [1,0,0,1,0,0|2,0,0]=4 15387 B12R1.252 CC(=O)CCCN1CCCCC1 1458a_100000742516_200000210301 [1,0,0,1,0,0|2,0,0]=4 15388 B12R1.252 CC(=O)CCOC1CCCCC1 1458a_100000070787_100011211530 [1,0,0,1,0,0|2,0,0]=4 15389 B12R1.252 CC(=O)CCOC1CCCCC1 34a_100000759926_100000210327 [1,0,0,1,0,0|2,0,0]=4 15390 B12R1.252 CC(=O)CCOC1CCCCC1 7a_100000210231_100000053229 [1,0,0,1,0,0|2,0,0]=4 15391 B12R1.252 CC(=O)CCOC1CCCCC1 7a_100000759926_100000210327 [1,0,0,1,0,0|2,0,0]=4 15392 B12R1.252 CC(=O)CCSC1CCCCC1 62a_100000053229_100000210327 [1,0,0,1,0,0|2,0,0]=4 15393 B12R1.252 CC(=O)CCSC1CCCCC1 62a_100000210327_100000053229 [1,0,0,1,0,0|2,0,0]=4 15394 B12R1.252 CC(=O)COCC1CCCCC1 34a_100000211253_100000211423 [1,0,0,1,0,0|2,0,0]=4 15395 B12R1.252 CC(=O)NCCC1CCCCC1 11a_100000738074_100015343762 [1,0,0,1,0,0|2,0,0]=4 15396 B12R1.252 CC(=O)NCCC1CCCCC1 1626a_100000738074_100015343762 [1,0,0,1,0,0|2,0,0]=4 15397 B12R1.252 CC(=O)NCCC1CCCCC1 240690a_100000738074_100015343762 [1,0,0,1,0,0|2,0,0]=4 15398 B12R1.252 CC(=O)NCCC1CCCCC1 527a_100000738074_100103153847 [1,0,0,1,0,0|2,0,0]=4 15399 B12R1.252 NC(=O)CCNC1CCCCC1 2230a_100000182618_100000744528 [1,0,0,1,0,0|2,0,0]=4 15400 B12R1.252 NC(=O)CCNC1CCCCC1 34a_100000182618_100000731001 [1,0,0,1,0,0|2,0,0]=4 15401 B12R1.252 NC(=O)CCOC1CCCCC1 34a_100000210231_100000731001 [1,0,0,1,0,0|2,0,0]=4 15402 B12R1.252 NC(=O)CCOC1CCCCC1 34a_100000757172_100000210327 [1,0,0,1,0,0|2,0,0]=4 15403 B12R1.252 NC(=O)CCOC1CCCCC1 7a_100000210231_100000744528 [1,0,0,1,0,0|2,0,0]=4 15404 B12R1.252 NC(=O)CCOC1CCCCC1 7a_100000757172_100000210327 [1,0,0,1,0,0|2,0,0]=4 15405 B12R1.252 NC(=O)CCSC1CCCCC1 62a_100000210327_100000744528 [1,0,0,1,0,0|2,0,0]=4 15406 B12R1.252 NC(=O)CCSC1CCCCC1 62a_100000744528_100000210327 [1,0,0,1,0,0|2,0,0]=4 15407 B12R1.252 NC(=O)CNCC1CCCCC1 2230a_100000210473_100000747473 [1,0,0,1,0,0|2,0,0]=4 15408 B12R1.252 NC(=O)CNCC1CCCCC1 2230a_100000711301_100000211423 [1,0,0,1,0,0|2,0,0]=4 15409 B12R1.252 NC(=O)CNCC1CCCCC1 34a_100000210473_100000187820 [1,0,0,1,0,0|2,0,0]=4 15410 B12R1.252 NC(=O)COCC1CCCCC1 34a_100000212181_100000187820 [1,0,0,1,0,0|2,0,0]=4 15411 B12R1.252 NC(=O)COCC1CCCCC1 7a_100000212181_100000187820 [1,0,0,1,0,0|2,0,0]=4 15412 B12R1.252 NC(=O)CSCC1CCCCC1 62a_100000211423_100000747473 [1,0,0,1,0,0|2,0,0]=4 15413 B12R1.252 NC(=O)CSCC1CCCCC1 62a_100000747473_100000211423 [1,0,0,1,0,0|2,0,0]=4 15414 B12R1.252 O=C(O)CNCC1CCCCC1 269956a_100016091260_100000211423 [1,0,0,1,0,0|1,0,0]=3 15415 B12R1.252 O=C(O)CNCC1CCCCO1 269956a_100016091260_100000211543 [1,0,0,1,0,0|2,0,0]=4 15416 B12R1.252 O=C(O)CNCC1CCCOC1 269956a_100016091260_100000741521 [1,0,0,1,0,0|2,0,0]=4 15417 B12R1.252 O=C(O)CNCC1CCOCC1 269956a_100016091260_100000754603 [1,0,0,1,0,0|2,0,0]=4 15418 B12R1.252 O=C(O)CONC1CCCCC1 269956a_100000106656_100000210327 [1,0,0,1,0,0|2,0,0]=4 15419 B12R1.252 O=C([O-])CNCC1CCCCC1 34a_100000210473_100020667443 [1,0,0,1,0,0|1,0,1]=4 15420 B12R1.252 O=C([O-])COCC1CCCCC1 34a_100000212181_100020667443 [1,0,0,1,0,0|1,0,1]=4 15421 B12R1.252 O=C([O-])CSCC1CCCCC1 62a_100000211423_100020667443 [1,0,0,1,0,0|1,0,1]=4 15422 B12R1.252 O=C([O-])CSCC1CCCCC1 62a_100020667443_100000211423 [1,0,0,1,0,0|1,0,1]=4 15423 B12R1.252 [13CH3]C(=O)CCCC1CCCCC1 1458a_100000211478_200025704644 [1,0,0,1,0,0|1,0,0]=3 15424 B12R1.252 [13CH3]C(=O)CCCN1CCCCC1 1458a_100000742516_200025704644 [1,0,0,1,0,0|2,0,0]=4 15425 B12R1.255 CC(=O)CCCCN1CCCC1 269982a_100000188435_100000735457 [1,0,0,1,0,0|2,0,0]=4 15426 B12R1.255 CC(=O)CCCNC1CCCC1 34a_100000211070_100000685027 [1,0,0,1,0,0|2,0,0]=4 15427 B12R1.255 CC(=O)CCCOC1CCCC1 34a_100000210269_100000685027 [1,0,0,1,0,0|2,0,0]=4 15428 B12R1.255 CC(=O)CCCOC1CCCC1 34a_100000759063_100000179811 [1,0,0,1,0,0|2,0,0]=4 15429 B12R1.255 CC(=O)CCCOC1CCCC1 7a_100000210269_100011215641 [1,0,0,1,0,0|2,0,0]=4 15430 B12R1.255 CC(=O)CCCOC1CCCC1 7a_100000759063_100000179811 [1,0,0,1,0,0|2,0,0]=4 15431 B12R1.255 CC(=O)CCCSC1CCCC1 62a_100011215641_100000179811 [1,0,0,1,0,0|2,0,0]=4 15432 B12R1.255 CC(=O)CCCSC1CCCC1 62a_100011217020_100011215641 [1,0,0,1,0,0|2,0,0]=4 15433 B12R1.255 CC(=O)CCOCC1CCCC1 34a_100000759926_100000740388 [1,0,0,1,0,0|2,0,0]=4 15434 B12R1.255 CC(=O)CCOCC1CCCC1 7a_100000742336_100000053229 [1,0,0,1,0,0|2,0,0]=4 15435 B12R1.255 CC(=O)CCOCC1CCCC1 7a_100000759926_100000740388 [1,0,0,1,0,0|2,0,0]=4 15436 B12R1.255 CC(=O)CCSCC1CCCC1 62a_100000053229_100000740388 [1,0,0,1,0,0|2,0,0]=4 15437 B12R1.255 CC(=O)CCSCC1CCCC1 62a_100000740388_100000053229 [1,0,0,1,0,0|2,0,0]=4 15438 B12R1.255 CC(=O)COCCC1CCCC1 34a_100000211253_100000760354 [1,0,0,1,0,0|2,0,0]=4 15439 B12R1.255 CC(=O)NCCCC1CCCC1 11a_100000736752_100015343762 [1,0,0,1,0,0|2,0,0]=4 15440 B12R1.255 CC(=O)NCCCC1CCCC1 1626a_100000736752_100015343762 [1,0,0,1,0,0|2,0,0]=4 15441 B12R1.255 CC(=O)NCCCC1CCCC1 240690a_100000736752_100015343762 [1,0,0,1,0,0|2,0,0]=4 15442 B12R1.255 CC(=O)NCCCC1CCCC1 527a_100000736752_100103153847 [1,0,0,1,0,0|2,0,0]=4 15443 B12R1.255 NC(=O)CCCNC1CCCC1 34a_100000211070_100102525003 [1,0,0,1,0,0|2,0,0]=4 15444 B12R1.255 NC(=O)CCCNC1CCCC1 34a_100000739312_100000179811 [1,0,0,1,0,0|2,0,0]=4 15445 B12R1.255 NC(=O)CCCOC1CCCC1 34a_100000210269_100102525003 [1,0,0,1,0,0|2,0,0]=4 15446 B12R1.255 NC(=O)CCCOC1CCCC1 7a_100000210269_100102525003 [1,0,0,1,0,0|2,0,0]=4 15447 B12R1.255 NC(=O)CCCSC1CCCC1 62a_100011217020_100102525003 [1,0,0,1,0,0|2,0,0]=4 15448 B12R1.255 NC(=O)CCCSC1CCCC1 62a_100102525003_100000179811 [1,0,0,1,0,0|2,0,0]=4 15449 B12R1.255 NC(=O)CCNCC1CCCC1 2230a_100000737975_100000744528 [1,0,0,1,0,0|2,0,0]=4 15450 B12R1.255 NC(=O)CCNCC1CCCC1 269862a_100000740010_100000746403 [1,0,0,1,0,0|2,0,0]=4 15451 B12R1.255 NC(=O)CCNCC1CCCC1 34a_100000737975_100000731001 [1,0,0,1,0,0|2,0,0]=4 15452 B12R1.255 NC(=O)CCOCC1CCCC1 34a_100000742336_100000731001 [1,0,0,1,0,0|2,0,0]=4 15453 B12R1.255 NC(=O)CCOCC1CCCC1 34a_100000757172_100000740388 [1,0,0,1,0,0|2,0,0]=4 15454 B12R1.255 NC(=O)CCOCC1CCCC1 7a_100000742336_100000744528 [1,0,0,1,0,0|2,0,0]=4 15455 B12R1.255 NC(=O)CCOCC1CCCC1 7a_100000757172_100000740388 [1,0,0,1,0,0|2,0,0]=4 15456 B12R1.255 NC(=O)CCSCC1CCCC1 62a_100000740388_100000744528 [1,0,0,1,0,0|2,0,0]=4 15457 B12R1.255 NC(=O)CCSCC1CCCC1 62a_100000744528_100000740388 [1,0,0,1,0,0|2,0,0]=4 15458 B12R1.255 NC(=O)CNCCC1CCCC1 2230a_100000711301_100000760354 [1,0,0,1,0,0|2,0,0]=4 15459 B12R1.255 NC(=O)CNCCC1CCCC1 2230a_100000739158_100000747473 [1,0,0,1,0,0|2,0,0]=4 15460 B12R1.255 NC(=O)CNCCC1CCCC1 34a_100000739158_100000187820 [1,0,0,1,0,0|2,0,0]=4 15461 B12R1.255 NC(=O)COCCC1CCCC1 34a_100000749090_100000187820 [1,0,0,1,0,0|2,0,0]=4 15462 B12R1.255 NC(=O)COCCC1CCCC1 7a_100000749090_100000187820 [1,0,0,1,0,0|2,0,0]=4 15463 B12R1.255 NC(=O)CSCCC1CCCC1 62a_100000747473_100000760354 [1,0,0,1,0,0|2,0,0]=4 15464 B12R1.255 NC(=O)CSCCC1CCCC1 62a_100000760354_100000747473 [1,0,0,1,0,0|2,0,0]=4 15465 B12R1.255 O=C(O)CNCCC1CCCC1 269956a_100016091260_100000760354 [1,0,0,1,0,0|1,0,0]=3 15466 B12R1.255 O=C(O)CNCCN1CCCC1 269956a_100016091260_100000004467 [1,0,0,1,0,0|2,0,0]=4 15467 B12R1.255 O=C(O)CONCC1CCCC1 269956a_100000106656_100000740388 [1,0,0,1,0,0|2,0,0]=4 15468 B12R1.255 O=C([O-])CNCCC1CCCC1 34a_100000739158_100020667443 [1,0,0,1,0,0|1,0,1]=4 15469 B12R1.255 O=C([O-])COCCC1CCCC1 34a_100000749090_100020667443 [1,0,0,1,0,0|1,0,1]=4 15470 B12R1.255 O=C([O-])CSCCC1CCCC1 62a_100000760354_100020667443 [1,0,0,1,0,0|1,0,1]=4 15471 B12R1.255 O=C([O-])CSCCC1CCCC1 62a_100020667443_100000760354 [1,0,0,1,0,0|1,0,1]=4 15472 B12R1.257 CC(=O)CCCCNC1CCC1 34a_100000749019_100009817362 [1,0,0,1,0,0|2,0,0]=4 15473 B12R1.257 CC(=O)CCCCOC1CCC1 34a_100000748187_100009817362 [1,0,0,1,0,0|2,0,0]=4 15474 B12R1.257 CC(=O)CCCCSC1CCC1 62a_100000735457_100000749161 [1,0,0,1,0,0|2,0,0]=4 15475 B12R1.257 CC(=O)CCCNCC1CCC1 34a_100000738700_100000685027 [1,0,0,1,0,0|2,0,0]=4 15476 B12R1.257 CC(=O)CCCOCC1CCC1 34a_100000759063_100000763275 [1,0,0,1,0,0|2,0,0]=4 15477 B12R1.257 CC(=O)CCCOCC1CCC1 34a_100000760304_100000685027 [1,0,0,1,0,0|2,0,0]=4 15478 B12R1.257 CC(=O)CCCOCC1CCC1 7a_100000759063_100000763275 [1,0,0,1,0,0|2,0,0]=4 15479 B12R1.257 CC(=O)CCCSCC1CCC1 62a_100000763275_100011215641 [1,0,0,1,0,0|2,0,0]=4 15480 B12R1.257 CC(=O)CCCSCC1CCC1 62a_100011215641_100000763275 [1,0,0,1,0,0|2,0,0]=4 15481 B12R1.257 NC(=O)CCCCCN1CCC1 269982a_100000754969_100009817443 [1,0,0,1,0,0|2,0,0]=4 15482 B12R1.257 NC(=O)CCCCNC1CCC1 270004a_100000696515_100000241760 [1,0,0,1,0,0|2,0,0]=4 15483 B12R1.257 NC(=O)CCCCNC1CCC1 34a_100000696515_100000749161 [1,0,0,1,0,0|2,0,0]=4 15484 B12R1.257 NC(=O)CCCCOC1CCC1 34a_100012022536_100000749161 [1,0,0,1,0,0|2,0,0]=4 15485 B12R1.257 NC(=O)CCCNCC1CCC1 269862a_100000739312_100000753134 [1,0,0,1,0,0|2,0,0]=4 15486 B12R1.257 NC(=O)CCCNCC1CCC1 34a_100000738700_100102525003 [1,0,0,1,0,0|2,0,0]=4 15487 B12R1.257 NC(=O)CCCNCC1CCC1 34a_100000739312_100000763275 [1,0,0,1,0,0|2,0,0]=4 15488 B12R1.257 NC(=O)CCCOCC1CCC1 34a_100000760304_100102525003 [1,0,0,1,0,0|2,0,0]=4 15489 B12R1.257 NC(=O)CCCSCC1CCC1 62a_100000763275_100102525003 [1,0,0,1,0,0|2,0,0]=4 15490 B12R1.257 NC(=O)CCCSCC1CCC1 62a_100102525003_100000763275 [1,0,0,1,0,0|2,0,0]=4 15491 B12R1.257 O=C(O)COCCNC1CCC1 269956a_100000700818_100000749161 [1,0,0,1,0,0|2,0,0]=4 15492 B12R1.283 CCCC1CCCCN1C(=O)C 11a_100000701414_100015343762 [1,0,0,1,0,0|2,0,0]=4 15493 B12R1.283 CCCC1CCCCN1C(=O)C 1626a_100000701414_100015343762 [1,0,0,1,0,0|2,0,0]=4 15494 B12R1.283 CCCC1CCCCN1C(=O)C 240690a_100000701414_100015343762 [1,0,0,1,0,0|2,0,0]=4 15495 B12R1.283 CCCC1CCCCN1C(=O)C 527a_100000701414_100103153847 [1,0,0,1,0,0|2,0,0]=4 15496 B12R1.283 CCCN1CCCCC1C(=O)C 1458a_100000743559_200000210301 [1,0,0,1,0,0|2,0,0]=4 15497 B12R1.283 CCCN1CCCCC1C(=O)N 2230a_100000181395_100000210303 [1,0,0,1,0,0|2,0,0]=4 15498 B12R1.283 CCCN1CCCCC1C(=O)N 269982a_100000181395_100000210303 [1,0,0,1,0,0|2,0,0]=4 15499 B12R1.283 CCCN1CCCCC1C(=O)N 34a_100000181395_100000210303 [1,0,0,1,0,0|2,0,0]=4 15500 B12R1.283 CCCN1CCCCC1C(=O)[13CH3] 1458a_100000743559_200025704644 [1,0,0,1,0,0|2,0,0]=4 15501 B12R1.283 CCCN1CCCC[C@@H]1C(=O)O 269956a_100000763471_100000210207 [1,0,0,1,0,0|1,0,0]=3 15502 B12R1.283 CCCN1CCOC[C@@H]1C(=O)O 269956a_100016993156_100000210207 [1,0,0,1,0,0|2,0,0]=4 15503 B12R1.283 CCCN1CCSCC1C(=O)O 269956a_100011346106_100000210207 [1,0,0,1,0,0|2,0,0]=4 15504 B12R1.283 CCCN1CSCCC1C(=O)O 269956a_100015185162_100000210207 [1,0,0,1,0,0|2,0,0]=4 15505 B12R1.283 CCN[C@@H]1CCCC[C@H]1C(=O)O 269956a_100009816435_100000210202 [1,0,0,1,0,0|1,0,0]=3 15506 B12R1.283 COCN1CCCC[C@@H]1C(=O)O 269956a_100000763471_100000766300 [1,0,0,1,0,0|2,0,0]=4 15507 B12R1.283 CSCN1CCCC[C@@H]1C(=O)O 269956a_100000763471_100011218213 [1,0,0,1,0,0|2,0,0]=4 15508 B12R1.283 O=C(O)[C@@H]1CCCC[C@H]1NCF 269956a_100009816435_100015361967 [1,0,0,1,0,0|2,0,0]=4 15509 B12R1.283 O=C(O)[C@H]1CCCCN1CCF 269956a_100000763471_100011217306 [1,0,0,1,0,0|2,0,0]=4 15510 B12R1.283 O=C(O)[C@H]1CCCCN1CCO 269956a_100000763471_100000211926 [1,0,0,1,0,0|2,0,0]=4 15511 B12R1.386 CCCCN1CCC[C@H]1C(=O)N 2230a_100000003125_100000210211 [1,0,0,1,0,0|2,0,0]=4 15512 B12R1.386 CCCCN1CCC[C@H]1C(=O)O 269956a_100000743916_100000210211 [1,0,0,1,0,0|1,0,0]=3 15513 B12R1.386 CCCCN1CCSC1C(=O)O 269956a_100000035718_100000210211 [1,0,0,1,0,0|2,0,0]=4 15514 B12R1.386 CCCCN1CSC[C@H]1C(=O)O 269956a_100000743924_100000210211 [1,0,0,1,0,0|2,0,0]=4 15515 B12R1.386 CCOCN1CCC[C@H]1C(=O)O 269956a_100000743916_100000739092 [1,0,0,1,0,0|2,0,0]=4 15516 B12R1.386 COCCN1CCC[C@H]1C(=O)O 269956a_100000743916_100000233755 [1,0,0,1,0,0|2,0,0]=4 15517 B12R1.386 CSCCN1CCC[C@H]1C(=O)O 269956a_100000743916_100000212216 [1,0,0,1,0,0|2,0,0]=4 15518 B12R1.386 O=C(O)[C@@H]1CCCN1CCCF 269956a_100000743916_100011934791 [1,0,0,1,0,0|2,0,0]=4 15519 B12R1.386 O=C(O)[C@@H]1CCCN1CCCO 269956a_100000743916_100011215043 [1,0,0,1,0,0|2,0,0]=4 15520 B12R1.390 CC(=O)CCCCNCC1CC1 34a_100000735609_100009817362 [1,0,0,1,0,0|2,0,0]=4 15521 B12R1.390 CC(=O)CCCCOCC1CC1 34a_100000211283_100009817362 [1,0,0,1,0,0|2,0,0]=4 15522 B12R1.390 CC(=O)CCCCSCC1CC1 62a_100000735457_100000742324 [1,0,0,1,0,0|2,0,0]=4 15523 B12R1.390 CC(=O)CCCCSCC1CC1 62a_100000756562_100000735457 [1,0,0,1,0,0|2,0,0]=4 15524 B12R1.390 CC(=O)CCCNCCC1CC1 34a_100000764129_100000685027 [1,0,0,1,0,0|2,0,0]=4 15525 B12R1.390 CC(=O)CCCOCCC1CC1 34a_100000754188_100000685027 [1,0,0,1,0,0|2,0,0]=4 15526 B12R1.390 CC(=O)CCCOCCC1CC1 34a_100000759063_100000694398 [1,0,0,1,0,0|2,0,0]=4 15527 B12R1.390 CC(=O)CCCOCCC1CC1 7a_100000754188_100011215641 [1,0,0,1,0,0|2,0,0]=4 15528 B12R1.390 CC(=O)CCCOCCC1CC1 7a_100000759063_100000764125 [1,0,0,1,0,0|2,0,0]=4 15529 B12R1.390 CC(=O)CCCSCCC1CC1 62a_100000764125_100011215641 [1,0,0,1,0,0|2,0,0]=4 15530 B12R1.390 CC(=O)CCCSCCC1CC1 62a_100011215641_100000764125 [1,0,0,1,0,0|2,0,0]=4 15531 B12R1.390 NC(=O)CCCCCNC1CC1 34a_100000212008_100009817443 [1,0,0,1,0,0|2,0,0]=4 15532 B12R1.390 NC(=O)CCCCCOC1CC1 34a_100000123541_100000211595 [1,0,0,1,0,0|2,0,0]=4 15533 B12R1.390 NC(=O)CCCCCSC1CC1 62a_100009817443_100000211595 [1,0,0,1,0,0|2,0,0]=4 15534 B12R1.390 NC(=O)CCCCNCC1CC1 269862a_100000696515_100000741477 [1,0,0,1,0,0|2,0,0]=4 15535 B12R1.390 NC(=O)CCCCNCC1CC1 34a_100000696515_100000742324 [1,0,0,1,0,0|2,0,0]=4 15536 B12R1.390 NC(=O)CCCCOCC1CC1 34a_100012022536_100000742324 [1,0,0,1,0,0|2,0,0]=4 15537 B12R1.390 NC(=O)CCCCOCC1CC1 7a_100012022536_100000742324 [1,0,0,1,0,0|2,0,0]=4 15538 B12R1.390 NC(=O)CCCNCCC1CC1 34a_100000739312_100000694398 [1,0,0,1,0,0|2,0,0]=4 15539 B12R1.390 NC(=O)CCCNCCC1CC1 34a_100000764129_100102525003 [1,0,0,1,0,0|2,0,0]=4 15540 B12R1.390 NC(=O)CCCOCCC1CC1 34a_100000754188_100102525003 [1,0,0,1,0,0|2,0,0]=4 15541 B12R1.390 NC(=O)CCCOCCC1CC1 7a_100000754188_100102525003 [1,0,0,1,0,0|2,0,0]=4 15542 B12R1.390 NC(=O)CCCSCCC1CC1 62a_100000764125_100102525003 [1,0,0,1,0,0|2,0,0]=4 15543 B12R1.390 NC(=O)CCCSCCC1CC1 62a_100102525003_100000764125 [1,0,0,1,0,0|2,0,0]=4 15544 B12R1.390 O=C(O)COCCNCC1CC1 269956a_100000700818_100000742324 [1,0,0,1,0,0|2,0,0]=4 15545 B12R1.405 CCN1CCCCCC1C(=O)O 269956a_100000758484_100000210202 [1,0,0,1,0,0|1,0,0]=3 15546 B12R1.405 O=C(O)C1CCCCCN1CF 269956a_100000758484_100015361967 [1,0,0,1,0,0|2,0,0]=4 15547 B12R1.522 CCCCCN1CCC1C(=O)O 269956a_100000021838_100000210326 [1,0,0,1,0,0|1,0,0]=3 15548 B12R1.522 CCOCCN1CCC1C(=O)O 269956a_100000021838_100000210147 [1,0,0,1,0,0|2,0,0]=4 15549 B12R1.522 CCSCCN1CCC1C(=O)O 269956a_100000021838_100000757381 [1,0,0,1,0,0|2,0,0]=4 15550 B12R1.522 COCCCN1CCC1C(=O)O 269956a_100000021838_100000740836 [1,0,0,1,0,0|2,0,0]=4 15551 B12R1.522 O=C(O)C1CCN1CCCCF 269956a_100000021838_100000729493 [1,0,0,1,0,0|2,0,0]=4 15552 B12R1.522 O=C(O)C1CCN1CCCCO 269956a_100000021838_100000210776 [1,0,0,1,0,0|2,0,0]=4 15553 B12R1.1335 CC(=O)N1CCCCCCCC1 11a_100000039187_100015343762 [1,0,0,1,0,0|2,0,0]=4 15554 B12R1.1335 CC(=O)N1CCCCCCCC1 1626a_100000039187_100015343762 [1,0,0,1,0,0|2,0,0]=4 15555 B12R1.1335 CC(=O)N1CCCCCCCC1 240690a_100000039187_100015343762 [1,0,0,1,0,0|2,0,0]=4 15556 B12R1.1335 CC(=O)N1CCCCCCCC1 527a_100000039187_100103153847 [1,0,0,1,0,0|2,0,0]=4 15557 B12R1.1343 CC(=O)CCN1CCCCCC1 1458a_100000070787_100000722644 [1,0,0,1,0,0|2,0,0]=4 15558 B12R1.1343 CC(=O)CCN1CCCCCC1 1458a_100000740320_200000210301 [1,0,0,1,0,0|2,0,0]=4 15559 B12R1.1343 CC(=O)CCN1CCCCCC1 269982a_100000185865_100000053229 [1,0,0,1,0,0|2,0,0]=4 15560 B12R1.1343 CC(=O)COC1CCCCCC1 34a_100000211253_100011217769 [1,0,0,1,0,0|2,0,0]=4 15561 B12R1.1343 CC(=O)NCC1CCCCCC1 11a_100015204231_100015343762 [1,0,0,1,0,0|2,0,0]=4 15562 B12R1.1343 CC(=O)NCC1CCCCCC1 1626a_100015204231_100015343762 [1,0,0,1,0,0|2,0,0]=4 15563 B12R1.1343 CC(=O)NCC1CCCCCC1 240690a_100015204231_100015343762 [1,0,0,1,0,0|2,0,0]=4 15564 B12R1.1343 CC(=O)NCC1CCCCCC1 527a_100015204231_100103153847 [1,0,0,1,0,0|2,0,0]=4 15565 B12R1.1343 NC(=O)CCN1CCCCCC1 2230a_100000185865_100000744528 [1,0,0,1,0,0|2,0,0]=4 15566 B12R1.1343 NC(=O)CCN1CCCCCC1 269982a_100000185865_100000744528 [1,0,0,1,0,0|2,0,0]=4 15567 B12R1.1343 NC(=O)CCN1CCCCCC1 34a_100000185865_100000731001 [1,0,0,1,0,0|2,0,0]=4 15568 B12R1.1343 NC(=O)CNC1CCCCCC1 2230a_100000210984_100000747473 [1,0,0,1,0,0|2,0,0]=4 15569 B12R1.1343 NC(=O)CNC1CCCCCC1 34a_100000210984_100000187820 [1,0,0,1,0,0|2,0,0]=4 15570 B12R1.1343 NC(=O)COC1CCCCCC1 34a_100000210887_100000187820 [1,0,0,1,0,0|2,0,0]=4 15571 B12R1.1343 NC(=O)COC1CCCCCC1 7a_100000210887_100000187820 [1,0,0,1,0,0|2,0,0]=4 15572 B12R1.1343 NC(=O)CSC1CCCCCC1 62a_100000747473_100011217769 [1,0,0,1,0,0|2,0,0]=4 15573 B12R1.1343 NC(=O)CSC1CCCCCC1 62a_100011217769_100000747473 [1,0,0,1,0,0|2,0,0]=4 15574 B12R1.1343 O=C(O)CNC1CCCCCC1 269956a_100016091260_100011217769 [1,0,0,1,0,0|1,0,0]=3 15575 B12R1.1343 O=C([O-])CNC1CCCCCC1 34a_100000210984_100020667443 [1,0,0,1,0,0|1,0,1]=4 15576 B12R1.1343 O=C([O-])COC1CCCCCC1 34a_100000210887_100020667443 [1,0,0,1,0,0|1,0,1]=4 15577 B12R1.1343 O=C([O-])CSC1CCCCCC1 62a_100011217769_100020667443 [1,0,0,1,0,0|1,0,1]=4 15578 B12R1.1343 O=C([O-])CSC1CCCCCC1 62a_100020667443_100011217769 [1,0,0,1,0,0|1,0,1]=4 15579 B12R1.1343 [13CH3]C(=O)CCN1CCCCCC1 1458a_100000740320_200025704644 [1,0,0,1,0,0|2,0,0]=4 15580 B12R1.1392 CC(=O)NC1CCCCCCC1 11a_100000211152_100015343762 [1,0,0,1,0,0|2,0,0]=4 15581 B12R1.1392 CC(=O)NC1CCCCCCC1 1626a_100000211152_100015343762 [1,0,0,1,0,0|2,0,0]=4 15582 B12R1.1392 CC(=O)NC1CCCCCCC1 240690a_100000211152_100015343762 [1,0,0,1,0,0|2,0,0]=4 15583 B12R1.1392 CC(=O)NC1CCCCCCC1 527a_100000211152_100103153847 [1,0,0,1,0,0|2,0,0]=4 15584 B12R1.1392 NC(=O)CN1CCCCCCC1 2230a_100000211400_100000747473 [1,0,0,1,0,0|2,0,0]=4 15585 B12R1.1392 NC(=O)CN1CCCCCCC1 269982a_100000211400_100000187820 [1,0,0,1,0,0|2,0,0]=4 15586 B12R1.1392 NC(=O)CN1CCCCCCC1 34a_100000211400_100000187820 [1,0,0,1,0,0|2,0,0]=4 15587 B12R1.1392 O=C([O-])CN1CCCCCCC1 269982a_100000211400_100020667443 [1,0,0,1,0,0|1,0,1]=4 15588 B12R1.1392 O=C([O-])CN1CCCCCCC1 34a_100000211400_100020667443 [1,0,0,1,0,0|1,0,1]=4 15589 B14R1.37 CCCCCCC(=O)C1CCC(=O)N1 1458a_100000210400_100000210757 [0,1,0,1,0,0|1,0,1]=4 15590 B14R1.37 CCCCCCC(=O)[C@@H]1CCC(=O)O1 1458a_100009814974_100000210757 [0,1,0,1,0,0|0,0,1]=3 15591 B14R1.37 CCCCCNC(=O)[C@@H]1CCC(=O)O1 11a_100000209983_100009814974 [0,1,0,1,0,0|1,0,1]=4 15592 B14R1.37 CCCCCNC(=O)[C@@H]1CCC(=O)O1 1626a_100000209983_100009814974 [0,1,0,1,0,0|1,0,1]=4 15593 B14R1.37 CCCCCNC(=O)[C@@H]1CCC(=O)O1 240690a_100000209983_100009814974 [0,1,0,1,0,0|1,0,1]=4 15594 B14R1.37 CCCCCNC(=O)[C@@H]1CCC(=O)O1 527a_100000209983_100009814974 [0,1,0,1,0,0|1,0,1]=4 15595 B14R1.37 CCCCOCC(=O)[C@@H]1CCC(=O)O1 1458a_100009814974_100011995733 [0,1,0,1,0,0|1,0,1]=4 15596 B14R1.37 CCCOCCC(=O)[C@@H]1CCC(=O)O1 1458a_100009814974_100011215938 [0,1,0,1,0,0|1,0,1]=4 15597 B14R1.37 CCOCCCC(=O)[C@@H]1CCC(=O)O1 1458a_100009814974_100012232248 [0,1,0,1,0,0|1,0,1]=4 15598 B14R1.37 COCCCCC(=O)[C@@H]1CCC(=O)O1 1458a_100009814974_100000755781 [0,1,0,1,0,0|1,0,1]=4 15599 B14R1.37 O=C1CC[C@H](O1)C(=O)CCCCCF 1458a_100009814974_100000729378 [0,1,0,1,0,0|1,0,1]=4 15600 B14R1.37 O=C1CC[C@H](O1)C(=O)CCCCCO 1458a_100009814974_100000746330 [0,1,0,1,0,0|1,0,1]=4 15601 B14R1.76 CCC1CCCC(C1)OCCC(=O)C 7a_100011985506_100000053229 [0,1,0,1,0,0|2,0,0]=4 15602 B14R1.76 CCC1CCCC(C1)OCCC(=O)N 7a_100011985506_100000744528 [0,1,0,1,0,0|2,0,0]=4 15603 B14R1.220 CCCCCCN1CCC(C1)C(=O)N 2230a_100000752358_100000210314 [0,1,0,1,0,0|2,0,0]=4 15604 B14R1.220 CCCCCCN1CCC(C1)C(=O)N 269982a_100000752358_100000210757 [0,1,0,1,0,0|2,0,0]=4 15605 B14R1.220 CCCCCCN1CCC(C1)C(=O)N 34a_100000752358_100000210314 [0,1,0,1,0,0|2,0,0]=4 15606 B14R1.220 CCCCCN[C@H]1CC[C@H](C1)C(=O)O 269956a_100015195206_100000210326 [0,1,0,1,0,0|1,0,0]=3 15607 B14R1.220 CCOCCN[C@H]1CC[C@H](C1)C(=O)O 269956a_100015195206_100000210147 [0,1,0,1,0,0|2,0,0]=4 15608 B14R1.220 CCSCCN[C@H]1CC[C@H](C1)C(=O)O 269956a_100015195206_100000757381 [0,1,0,1,0,0|2,0,0]=4 15609 B14R1.220 COCCCN[C@H]1CC[C@H](C1)C(=O)O 269956a_100015195206_100000740836 [0,1,0,1,0,0|2,0,0]=4 15610 B14R1.220 O=C(O)[C@@H]1CC[C@@H](C1)NCCCCF 269956a_100015195206_100000729493 [0,1,0,1,0,0|2,0,0]=4 15611 B14R1.220 O=C(O)[C@@H]1CC[C@@H](C1)NCCCCO 269956a_100015195206_100000210776 [0,1,0,1,0,0|2,0,0]=4 15612 B14R1.420 CC(=O)CCCC(=O)C1CCCCC1 1458a_100000210647_100011215641 [0,1,0,1,0,0|1,0,1]=4 15613 B14R1.420 CC(=O)CCCN(C)C1CCCCC1 269982a_100000207522_100011215641 [0,1,0,1,0,0|2,0,0]=4 15614 B14R1.420 CC(=O)CCCN(C)C1CCCCC1 34a_100000207522_100000685027 [0,1,0,1,0,0|2,0,0]=4 15615 B14R1.420 CC(=O)CCOC(C)C1CCCCC1 7a_100011216961_100000053229 [0,1,0,1,0,0|2,0,0]=4 15616 B14R1.420 CC(NCCC(=O)N)C1CCCCC1 269862a_100000740010_100000210989 [0,1,0,1,0,0|2,0,0]=4 15617 B14R1.420 CC(OCCC(=O)N)C1CCCCC1 34a_100011216961_100000731001 [0,1,0,1,0,0|2,0,0]=4 15618 B14R1.420 CC(OCCC(=O)N)C1CCCCC1 7a_100011216961_100000744528 [0,1,0,1,0,0|2,0,0]=4 15619 B14R1.420 CN(CCCC(=O)N)C1CCCCC1 269982a_100000207522_100102525003 [0,1,0,1,0,0|2,0,0]=4 15620 B14R1.420 CN(CCCC(=O)N)C1CCCCC1 34a_100000207522_100102525003 [0,1,0,1,0,0|2,0,0]=4 15621 B14R1.420 CN(CCCC(=O)O)C1CCCCC1 269956a_100000719178_100000210327 [0,1,0,1,0,0|1,0,0]=3 15622 B14R1.420 CN(CCCC(=O)O)C1CCCOC1 269956a_100000719178_100000693364 [0,1,0,1,0,0|2,0,0]=4 15623 B14R1.420 CN(CCCC(=O)O)C1CCOCC1 269956a_100000719178_100011324220 [0,1,0,1,0,0|2,0,0]=4 15624 B14R1.420 CN(CCCC(=O)O)C1CCSCC1 269956a_100000719178_100000069128 [0,1,0,1,0,0|2,0,0]=4 15625 B14R1.420 C[C@@H](NCCC(=O)N)C1CCCCC1 2230a_100025707633_100000744528 [0,1,0,1,0,0|2,0,0]=4 15626 B14R1.420 C[C@@H](NCCC(=O)N)C1CCCCC1 34a_100025707633_100000731001 [0,1,0,1,0,0|2,0,0]=4 15627 B14R1.420 NC(=O)CCCC(=O)C1CCCCC1 1458a_100000210647_100102525003 [0,1,0,1,0,0|1,0,1]=4 15628 B14R1.420 NC(=O)COC[C@H](N)C1CCCCC1 34a_100009817630_100000187820 [0,1,0,1,0,0|2,0,0]=4 15629 B14R1.420 N[C@@H](COCC(=O)[O-])C1CCCCC1 34a_100009817630_100020667443 [0,1,0,1,0,0|1,0,1]=4 15630 B14R1.420 O=C(O)CNCC(=O)C1CCCCC1 269956a_100016091260_100000241979 [0,1,0,1,0,0|1,0,1]=4 15631 B14R1.760 CCCCN1CC(CCC1C(=O)O)O 269956a_100000089875_100000210211 [0,1,0,1,0,0|1,0,0]=3 15632 B14R1.760 CCOCN1CC(CCC1C(=O)O)O 269956a_100000089875_100000739092 [0,1,0,1,0,0|2,0,0]=4 15633 B14R1.760 COCCN1CC(CCC1C(=O)O)O 269956a_100000089875_100000233755 [0,1,0,1,0,0|2,0,0]=4 15634 B14R1.760 CSCCN1CC(CCC1C(=O)O)O 269956a_100000089875_100000212216 [0,1,0,1,0,0|2,0,0]=4 15635 B14R1.760 O=C(O)C1CCC(CN1CCCF)O 269956a_100000089875_100011934791 [0,1,0,1,0,0|2,0,0]=4 15636 B14R1.760 O=C(O)C1CCC(CN1CCCO)O 269956a_100000089875_100011215043 [0,1,0,1,0,0|2,0,0]=4 15637 B14R1.810 CC(=O)CCCC(=O)CC1CCCC1 1458a_100000210891_100011215641 [0,1,0,1,0,0|1,0,1]=4 15638 B14R1.810 CC(CCCC(=O)[O-])OC1CCCC1 7a_100000761597_100000179811 [0,1,0,1,0,0|1,0,1]=4 15639 B14R1.810 CN(CCCC(=O)O)CC1CCCC1 269956a_100000719178_100000740388 [0,1,0,1,0,0|1,0,0]=3 15640 B14R1.810 CN(CCCC(=O)O)CC1CCCO1 269956a_100000719178_100000183445 [0,1,0,1,0,0|2,0,0]=4 15641 B14R1.810 CN(CCCC(=O)O)CC1CCOC1 269956a_100000719178_100011261433 [0,1,0,1,0,0|2,0,0]=4 15642 B14R1.810 NC(=O)CCCC(=O)CC1CCCC1 1458a_100000210891_100102525003 [0,1,0,1,0,0|1,0,1]=4 15643 B14R1.1258 CCCCCCN1CC(C1)CC(=O)O 269956a_100016993960_100000210757 [0,1,0,1,0,0|1,0,0]=3 15644 B14R1.1258 CCCCOCN1CC(C1)CC(=O)O 269956a_100016993960_100011995733 [0,1,0,1,0,0|2,0,0]=4 15645 B14R1.1258 CCCOCCN1CC(C1)CC(=O)O 269956a_100016993960_100011215938 [0,1,0,1,0,0|2,0,0]=4 15646 B14R1.1258 CCOCCCN1CC(C1)CC(=O)O 269956a_100016993960_100012232248 [0,1,0,1,0,0|2,0,0]=4 15647 B14R1.1258 COCCCCN1CC(C1)CC(=O)O 269956a_100016993960_100000730899 [0,1,0,1,0,0|2,0,0]=4 15648 B14R1.1258 O=C(O)CC1CN(C1)CCCCCF 269956a_100016993960_100000729378 [0,1,0,1,0,0|2,0,0]=4 15649 B14R1.1258 O=C(O)CC1CN(C1)CCCCCO 269956a_100016993960_100000746330 [0,1,0,1,0,0|2,0,0]=4 15650 B14R1.1454 C=C(C)CCNC1CCCCCCC1 2230a_100000211152_100000730704 [0,1,0,1,0,0|2,0,0]=4 15651 B14R1.1454 C=C(C)CCNC1CCCCCCC1 34a_100000211152_100000730704 [0,1,0,1,0,0|2,0,0]=4 15652 B14R1.1454 C=C(C)CCOC1CCCCCCC1 34a_100000210054_100000730704 [0,1,0,1,0,0|2,0,0]=4 15653 B14R1.1454 C=C(C)CCOC1CCCCCCC1 7a_100000210054_100000730704 [0,1,0,1,0,0|2,0,0]=4 15654 B14R1.1454 C=C(C)COCC1CCCCCCC1 34a_100011216312_100000748629 [0,1,0,1,0,0|2,0,0]=4 15655 B14R1.1454 C=C(C)COCC1CCCCCCC1 7a_100011216312_100000748629 [0,1,0,1,0,0|2,0,0]=4 15656 B14R1.1454 C=C(F)COCC1CCCCCCC1 34a_100011216312_100009893438 [0,1,0,1,0,0|2,0,0]=4 15657 B14R1.1454 C=C(F)COCC1CCCCCCC1 7a_100011216312_100000042424 [0,1,0,1,0,0|2,0,0]=4 15658 B14R1.1454 CC(=O)CCCN1CCCCCCC1 269982a_100000211400_100011215641 [0,1,0,1,0,0|1,0,0]=3 15659 B14R1.1454 CC(=O)CCCN1CCCCCCC1 34a_100000211400_100000685027 [0,1,0,1,0,0|1,0,0]=3 15660 B14R1.1454 CC(=O)CCOC1CCCCCCC1 7a_100000210054_100000053229 [0,1,0,1,0,0|1,0,0]=3 15661 B14R1.1454 CC(=O)NCCC1CCCCCCC1 11a_100011532352_100015343762 [0,1,0,1,0,0|1,0,0]=3 15662 B14R1.1454 CC(=O)NCCC1CCCCCCC1 1626a_100011532352_100015343762 [0,1,0,1,0,0|1,0,0]=3 15663 B14R1.1454 CC(=O)NCCC1CCCCCCC1 240690a_100011532352_100015343762 [0,1,0,1,0,0|1,0,0]=3 15664 B14R1.1454 CC(=O)NCCC1CCCCCCC1 527a_100011532352_100103153847 [0,1,0,1,0,0|1,0,0]=3 15665 B14R1.1454 CC(=O)NCCN1CCCCCCC1 2230a_100000211400_100000189650 [0,1,0,1,0,0|2,0,0]=4 15666 B14R1.1454 CC(=O)NCCN1CCCCCCC1 269982a_100000211400_100000189650 [0,1,0,1,0,0|2,0,0]=4 15667 B14R1.1454 CC(=O)OCCN1CCCCCCC1 269982a_100000211400_100009814007 [0,1,0,1,0,0|2,0,0]=4 15668 B14R1.1454 CC(=O)OCCN1CCCCCCC1 34a_100000211400_100009814007 [0,1,0,1,0,0|2,0,0]=4 15669 B14R1.1454 CC(=O)OCNC1CCCCCCC1 34a_100000211152_100009813279 [0,1,0,1,0,0|2,0,0]=4 15670 B14R1.1454 CC(=O)OCOC1CCCCCCC1 34a_100000210054_100009813279 [0,1,0,1,0,0|2,0,0]=4 15671 B14R1.1454 CC(O)CCCN1CCCCCCC1 2230a_100000211400_200000718107 [0,1,0,1,0,0|1,0,1]=4 15672 B14R1.1454 CC(O)CCCN1CCCCCCC1 269982a_100000211400_200000718107 [0,1,0,1,0,0|1,0,1]=4 15673 B14R1.1454 CC(O)CCCN1CCCCCCC1 34a_100000211400_200000718107 [0,1,0,1,0,0|1,0,1]=4 15674 B14R1.1454 CC(O)CCNC1CCCCCCC1 2230a_100000211152_100012276601 [0,1,0,1,0,0|1,0,1]=4 15675 B14R1.1454 CC(O)CCNC1CCCCCCC1 270004a_200000755665_100000210524 [0,1,0,1,0,0|1,0,1]=4 15676 B14R1.1454 CC(O)CCNC1CCCCCCC1 34a_100000211152_100012276601 [0,1,0,1,0,0|1,0,1]=4 15677 B14R1.1454 CC(O)CCOC1CCCCCCC1 34a_100000210054_100012276601 [0,1,0,1,0,0|1,0,1]=4 15678 B14R1.1454 CC(O)CCOC1CCCCCCC1 7a_100000210054_100012276601 [0,1,0,1,0,0|1,0,1]=4 15679 B14R1.1454 CC(O)COCC1CCCCCCC1 34a_100011216312_100011218427 [0,1,0,1,0,0|1,0,1]=4 15680 B14R1.1454 CC(O)COCC1CCCCCCC1 7a_100011216312_100011218427 [0,1,0,1,0,0|1,0,1]=4 15681 B14R1.1454 C[C@@H](O)COCC1CCCCCCC1 34a_100011216312_100009817552 [0,1,0,1,0,0|1,0,1]=4 15682 B14R1.1454 C[C@@H](O)COCC1CCCCCCC1 7a_100011216312_100009817552 [0,1,0,1,0,0|1,0,1]=4 15683 B14R1.1454 NC(=O)CCCN1CCCCCCC1 269982a_100000211400_100102525003 [0,1,0,1,0,0|1,0,0]=3 15684 B14R1.1454 NC(=O)CCCN1CCCCCCC1 34a_100000211400_100102525003 [0,1,0,1,0,0|1,0,0]=3 15685 B14R1.1454 NC(=O)CCNC1CCCCCCC1 2230a_100000211152_100000744528 [0,1,0,1,0,0|1,0,0]=3 15686 B14R1.1454 NC(=O)CCNC1CCCCCCC1 34a_100000211152_100000731001 [0,1,0,1,0,0|1,0,0]=3 15687 B14R1.1454 NC(=O)CCOC1CCCCCCC1 34a_100000210054_100000731001 [0,1,0,1,0,0|1,0,0]=3 15688 B14R1.1454 NC(=O)CCOC1CCCCCCC1 7a_100000210054_100000744528 [0,1,0,1,0,0|1,0,0]=3 15689 B14R1.1454 NC(=O)COCC1CCCCCCC1 34a_100011216312_100000187820 [0,1,0,1,0,0|1,0,0]=3 15690 B14R1.1454 NC(=O)COCC1CCCCCCC1 7a_100011216312_100000187820 [0,1,0,1,0,0|1,0,0]=3 15691 B14R1.1454 NC(=O)NCCN1CCCCCCC1 2230a_100000211400_200000034859 [0,1,0,1,0,0|2,0,0]=4 15692 B14R1.1454 NC(=O)NCCN1CCCCCCC1 269982a_100000211400_200000034859 [0,1,0,1,0,0|2,0,0]=4 15693 B14R1.1454 NC(=O)OCCN1CCCCCCC1 269982a_100000211400_200011214921 [0,1,0,1,0,0|2,0,0]=4 15694 B14R1.1454 NC(=O)OCCN1CCCCCCC1 34a_100000211400_200011214921 [0,1,0,1,0,0|2,0,0]=4 15695 B14R1.1454 O=C([O-])COCC1CCCCCCC1 34a_100011216312_100020667443 [0,1,0,1,0,0|0,0,1]=3 15696 B14R1.1454 O=[N+]([O-])COCC1CCCCCCC1 34a_100011216312_100000761209 [0,1,0,1,0,0|1,0,1]=4 15697 B14R1.1469 CC(CCCC(=O)[O-])OCC1CCC1 7a_100000761597_100000763275 [0,1,0,1,0,0|1,0,1]=4 15698 B14R1.1470 CC(CCCC(=O)[O-])OCCC1CC1 7a_100000761597_100000764125 [0,1,0,1,0,0|1,0,1]=4 15699 B14R1.1470 CN(CCCC(=O)O)CCCC1CO1 269956a_100000719178_100000733510 [0,1,0,1,0,0|2,0,0]=4 15700 B14R1.3362 CCCCCCC(=O)CC1CC(=O)C1 1458a_100102632555_100009874392 [0,1,0,1,0,0|1,0,1]=4 15701 B14R1.3362 CCCCCCC(C)SC1CC(=O)C1 62a_100009894365_100011215978 [0,1,0,1,0,0|2,0,0]=4 15702 B14R1.3362 CCCCCCN(C)CC1CC(=O)C1 2230a_106256046315_100009874392 [0,1,0,1,0,0|2,0,0]=4 15703 B14R1.3362 CCCCCCN(C)CC1CC(=O)C1 269982a_106256046315_100009874392 [0,1,0,1,0,0|2,0,0]=4 15704 B14R1.4488 CC(=O)CCCC(=O)C1CCCC1C 1458a_100000690547_100011215641 [0,1,0,1,0,0|1,0,1]=4 15705 B14R1.4488 CC1CCCC1C(=O)CCCC(=O)N 1458a_100000690547_100102525003 [0,1,0,1,0,0|1,0,1]=4 15706 B14R1.4488 CN(CCCC(=O)O)[C@@H]1CCC[C@H]1O 269956a_100000719178_200016002552 [0,1,0,1,0,0|2,0,0]=4 15707 B14R1.4898 CC(=O)CCCN1CCCCC(C1)O 269982a_100025706797_100011215641 [0,1,0,1,0,0|2,0,0]=4 15708 B14R1.4898 NC(=O)CCCN1CCCCC(C1)O 269982a_100025706797_100102525003 [0,1,0,1,0,0|2,0,0]=4 15709 B14R1.20828 CC(=O)CCOC1(CCCCCC1)C 7a_100000708895_100000053229 [0,1,0,1,0,0|2,0,0]=4 15710 B14R1.20828 CC1(CCCCCC1)NCCC(=O)N 2230a_100000704638_100000744528 [0,1,0,1,0,0|2,0,0]=4 15711 B14R1.20828 CC1(CCCCCC1)NCCC(=O)N 34a_100000704638_100000731001 [0,1,0,1,0,0|2,0,0]=4 15712 B14R1.20828 CC1(CCCCCC1)OCCC(=O)N 34a_100000708895_100000731001 [0,1,0,1,0,0|2,0,0]=4 15713 B14R1.20828 CC1(CCCCCC1)OCCC(=O)N 7a_100000708895_100000744528 [0,1,0,1,0,0|2,0,0]=4 15714 B14R1.26 CCCCCCCN1CCCC(C1)O 2230a_100000211013_100000210681 [0,1,0,1,0,0|1,0,1]=4 15715 B14R1.26 CCCCCCCN1CCCC(C1)O 269982a_100000211013_100000210681 [0,1,0,1,0,0|1,0,1]=4 15716 B14R1.26 CCCCCCCN1CCNC(=O)C1 2230a_100000184651_100000210681 [0,1,0,1,0,0|2,0,0]=4 15717 B14R1.26 CCCCCCCN1CCOC(=O)C1 2230a_100000131268_100000210681 [0,1,0,1,0,0|2,0,0]=4 15718 B14R1.26 CCCCCCNC1CCCC(C1)O 2230a_100015190357_100000210314 [0,1,0,1,0,0|1,0,1]=4 15719 B14R1.26 CCCCCCNC1CCCC(C1)O 270004a_100000210581_100012613340 [0,1,0,1,0,0|1,0,1]=4 15720 B14R1.26 CCCCCCNC1CCNC(=O)C1 2230a_100016994916_100000210314 [0,1,0,1,0,0|2,0,0]=4 15721 B14R1.26 CCCCCCNC1CCNC(=O)C1 34a_100016994916_100000210314 [0,1,0,1,0,0|2,0,0]=4 15722 B14R1.26 CCCCCCOC1C=C(CCC1)C 34a_100011218613_100000210314 [0,1,0,1,0,0|2,0,0]=4 15723 B14R1.26 CCCCCCOC1CCCC(=O)C1 34a_100012613340_100000210314 [0,1,0,1,0,0|1,0,0]=3 15724 B14R1.26 CCCCCCO[C@@H]1CCNC(=O)C1 34a_100015189427_100000210314 [0,1,0,1,0,0|2,0,0]=4 15725 B14R1.26 CCCCCNCC1CCCC(C1)O 2230a_100011254705_100000210326 [0,1,0,1,0,0|1,0,1]=4 15726 B14R1.26 CCCCCOCC1CCCC(=O)N1 34a_200000102386_100000718602 [0,1,0,1,0,0|1,0,0]=3 15727 B14R1.26 CCCCCOCC1CCNC(=O)C1 34a_100009886756_100000718602 [0,1,0,1,0,0|2,0,0]=4 15728 B14R1.26 CCCCCOCC1COCC(=O)N1 34a_200000101122_100000718602 [0,1,0,1,0,0|2,0,0]=4 15729 B14R1.26 CCCCOCOC1CCCC(=O)C1 34a_100012613340_100011995733 [0,1,0,1,0,0|2,0,0]=4 15730 B14R1.26 CCCOCCOC1CCCC(=O)C1 34a_100012613340_100011215938 [0,1,0,1,0,0|2,0,0]=4 15731 B14R1.26 CCOCCCOC1CCCC(=O)C1 34a_100012613340_100012232248 [0,1,0,1,0,0|2,0,0]=4 15732 B14R1.26 CCOCCOCC1CCCC(=O)N1 34a_200000102386_100000210147 [0,1,0,1,0,0|2,0,0]=4 15733 B14R1.26 CCSCCOCC1CCCC(=O)N1 34a_200000102386_100000757381 [0,1,0,1,0,0|2,0,0]=4 15734 B14R1.26 COCCCCOC1CCCC(=O)C1 34a_100012613340_100000755781 [0,1,0,1,0,0|2,0,0]=4 15735 B14R1.26 COCCCOCC1CCCC(=O)N1 34a_200000102386_100000740836 [0,1,0,1,0,0|2,0,0]=4 15736 B14R1.26 O=C1CCCC(C1)OCCCCCF 34a_100012613340_100000729378 [0,1,0,1,0,0|2,0,0]=4 15737 B14R1.26 O=C1CCCC(C1)OCCCCCO 34a_100012613340_100000746330 [0,1,0,1,0,0|2,0,0]=4 15738 B14R1.26 O=C1CCCC(N1)COCCCCF 34a_200000102386_100000729493 [0,1,0,1,0,0|2,0,0]=4 15739 B14R1.26 O=C1CCCC(N1)COCCCCO 34a_200000102386_100011216708 [0,1,0,1,0,0|2,0,0]=4 15740 B14R1.96 C=C(C)CCOC1CCCCC1CC 34a_100000210738_100000730704 [0,1,0,1,0,0|2,0,0]=4 15741 B14R1.96 C=C(C)CCOC1CCCCC1CC 7a_100000210738_100000730704 [0,1,0,1,0,0|2,0,0]=4 15742 B14R1.96 CC(=O)CCCN1CCCCC1CO 269982a_100000210821_100011215641 [0,1,0,1,0,0|2,0,0]=4 15743 B14R1.96 CC(=O)CCCN1CCCCC1CO 34a_100000210821_100000685027 [0,1,0,1,0,0|2,0,0]=4 15744 B14R1.96 CCC1CCCCC1NCCC(=O)N 269862a_100000740010_100000757040 [0,1,0,1,0,0|1,0,0]=3 15745 B14R1.96 CCC1CCCCC1NCCC(C)O 269862a_200000755665_100000757040 [0,1,0,1,0,0|1,0,1]=4 15746 B14R1.96 CCC1CCCCC1NCCC(C)O 270004a_200000755665_100000757040 [0,1,0,1,0,0|1,0,1]=4 15747 B14R1.96 CCC1CCCCC1OCCC(=O)C 7a_100000210738_100000053229 [0,1,0,1,0,0|1,0,0]=3 15748 B14R1.96 CCC1CCCCC1OCCC(=O)N 34a_100000210738_100000731001 [0,1,0,1,0,0|1,0,0]=3 15749 B14R1.96 CCC1CCCCC1OCCC(=O)N 7a_100000210738_100000744528 [0,1,0,1,0,0|1,0,0]=3 15750 B14R1.96 CCC1CCCCC1OCCC(C)O 34a_100000210738_100012276601 [0,1,0,1,0,0|1,0,1]=4 15751 B14R1.96 CCC1CCCCC1OCCC(C)O 7a_100000210738_100012276601 [0,1,0,1,0,0|1,0,1]=4 15752 B14R1.96 CCC1CCCCC1OCOC(=O)C 34a_100000210738_100009813279 [0,1,0,1,0,0|2,0,0]=4 15753 B14R1.96 CCC1CCCCN1CCCC(=O)C 269982a_100000210034_100011215641 [0,1,0,1,0,0|1,0,0]=3 15754 B14R1.96 CCC1CCCCN1CCCC(=O)C 34a_100000210034_100000685027 [0,1,0,1,0,0|1,0,0]=3 15755 B14R1.96 CCC1CCCCN1CCCC(=O)N 269982a_100000210034_100102525003 [0,1,0,1,0,0|1,0,0]=3 15756 B14R1.96 CCC1CCCCN1CCCC(=O)N 34a_100000210034_100102525003 [0,1,0,1,0,0|1,0,0]=3 15757 B14R1.96 CCC1CCCCN1CCCC(C)O 2230a_100000210034_200000718107 [0,1,0,1,0,0|1,0,1]=4 15758 B14R1.96 CCC1CCCCN1CCCC(C)O 269982a_100000210034_200000718107 [0,1,0,1,0,0|1,0,1]=4 15759 B14R1.96 CCC1CCCCN1CCCC(C)O 34a_100000210034_200000718107 [0,1,0,1,0,0|1,0,1]=4 15760 B14R1.96 CCC1CCCCN1CCNC(=O)C 11a_100000755458_100015343762 [0,1,0,1,0,0|2,0,0]=4 15761 B14R1.96 CCC1CCCCN1CCNC(=O)C 1626a_100000755458_100015343762 [0,1,0,1,0,0|2,0,0]=4 15762 B14R1.96 CCC1CCCCN1CCNC(=O)C 2230a_100000210034_100000189650 [0,1,0,1,0,0|2,0,0]=4 15763 B14R1.96 CCC1CCCCN1CCNC(=O)C 240690a_100000755458_100015343762 [0,1,0,1,0,0|2,0,0]=4 15764 B14R1.96 CCC1CCCCN1CCNC(=O)C 269982a_100000210034_100000189650 [0,1,0,1,0,0|2,0,0]=4 15765 B14R1.96 CCC1CCCCN1CCNC(=O)C 527a_100000755458_100103153847 [0,1,0,1,0,0|2,0,0]=4 15766 B14R1.96 CCC1CCCCN1CCNC(=O)N 2230a_100000210034_200000034859 [0,1,0,1,0,0|2,0,0]=4 15767 B14R1.96 CCC1CCCCN1CCNC(=O)N 269982a_100000210034_200000034859 [0,1,0,1,0,0|2,0,0]=4 15768 B14R1.96 CCC1CCCCN1CCOC(=O)C 269982a_100000210034_100009814007 [0,1,0,1,0,0|2,0,0]=4 15769 B14R1.96 CCC1CCCCN1CCOC(=O)C 34a_100000210034_100009814007 [0,1,0,1,0,0|2,0,0]=4 15770 B14R1.96 CCC1CCCCN1CCOC(=O)N 269982a_100000210034_200011214921 [0,1,0,1,0,0|2,0,0]=4 15771 B14R1.96 CCC1CCCCN1CCOC(=O)N 34a_100000210034_200011214921 [0,1,0,1,0,0|2,0,0]=4 15772 B14R1.96 CCN1CCCCC1CCNC(=O)C 2230a_200011221479_100000210202 [0,1,0,1,0,0|2,0,0]=4 15773 B14R1.96 CCN1CCCCC1CCNC(=O)C 269982a_200011221479_100000204670 [0,1,0,1,0,0|2,0,0]=4 15774 B14R1.96 CCN1CCCCC1CCNC(=O)C 34a_200011221479_100000210202 [0,1,0,1,0,0|2,0,0]=4 15775 B14R1.96 CCN1CCCCC1CNCC(=O)N 2230a_100000754393_100000747473 [0,1,0,1,0,0|2,0,0]=4 15776 B14R1.96 CCN1CCCCC1CNCC(=O)N 34a_100000754393_100000187820 [0,1,0,1,0,0|2,0,0]=4 15777 B14R1.96 CCN1CCCCC1CNCC(=O)[O-] 34a_100000754393_100020667443 [0,1,0,1,0,0|1,0,1]=4 15778 B14R1.96 CCN1CCCCC1COCC(=O)N 34a_100000225091_100000187820 [0,1,0,1,0,0|2,0,0]=4 15779 B14R1.96 CCN1CCCCC1COCC(=O)N 7a_100000225091_100000187820 [0,1,0,1,0,0|2,0,0]=4 15780 B14R1.96 CCN1CCCCC1COCC(=O)[O-] 34a_100000225091_100020667443 [0,1,0,1,0,0|1,0,1]=4 15781 B14R1.96 CC[C@H]1COCCN1CCCC(=O)C 269982a_100016988097_100011215641 [0,1,0,1,0,0|2,0,0]=4 15782 B14R1.96 CC[C@H]1COCCN1CCCC(=O)C 34a_100016988097_100000685027 [0,1,0,1,0,0|2,0,0]=4 15783 B14R1.96 CC[C@H]1COCCN1CCCC(=O)N 269982a_100016988097_100102525003 [0,1,0,1,0,0|2,0,0]=4 15784 B14R1.96 CC[C@H]1COCCN1CCCC(=O)N 34a_100016988097_100102525003 [0,1,0,1,0,0|2,0,0]=4 15785 B14R1.96 CN[C@@H]1CCCC[C@H]1OCCC(=O)N 34a_100000708425_100000731001 [0,1,0,1,0,0|2,0,0]=4 15786 B14R1.96 COC1CCCCC1NCCC(=O)N 34a_100011208099_100000731001 [0,1,0,1,0,0|2,0,0]=4 15787 B14R1.96 CO[C@H]1CCCC[C@@H]1OCCC(=O)C 7a_200009815850_100000053229 [0,1,0,1,0,0|2,0,0]=4 15788 B14R1.96 CO[C@H]1CCCC[C@@H]1OCCC(=O)N 34a_200009815850_100000731001 [0,1,0,1,0,0|2,0,0]=4 15789 B14R1.96 CO[C@H]1CCCC[C@@H]1OCCC(=O)N 7a_200009815850_100000744528 [0,1,0,1,0,0|2,0,0]=4 15790 B14R1.96 NC(=O)CCCN1CCCCC1CO 269982a_100000210821_100102525003 [0,1,0,1,0,0|2,0,0]=4 15791 B14R1.96 NC(=O)CCCN1CCCCC1CO 34a_100000210821_100102525003 [0,1,0,1,0,0|2,0,0]=4 15792 B14R1.96 NCC1CCCCC1OCCC(=O)N 34a_100011216029_100000731001 [0,1,0,1,0,0|2,0,0]=4 15793 B14R1.108 CC(=O)CCCCN1CCC[C@@H]1CO 269982a_100000745186_100000735457 [0,1,0,1,0,0|2,0,0]=4 15794 B14R1.108 CC(=O)CCCCN1CCC[C@@H]1CO 34a_100000745186_100009817362 [0,1,0,1,0,0|2,0,0]=4 15795 B14R1.108 CCC1CCCC1NCCCC(=O)N 269862a_100000739312_100000749056 [0,1,0,1,0,0|1,0,0]=3 15796 B14R1.108 CCC1CCCC1NCCCS(=O)C 270004a_200000753449_100000749056 [0,1,0,1,0,0|2,0,0]=4 15797 B14R1.108 CCC1CCCC1NCCNC(=O)C 269862a_100000209853_100000749056 [0,1,0,1,0,0|2,0,0]=4 15798 B14R1.108 CCC1CCCC1NCCNC(=O)N 269862a_100020590234_100000749056 [0,1,0,1,0,0|2,0,0]=4 15799 B14R1.108 CCC1CCCC1NCCSC(=O)C 269862a_100020647217_100000749056 [0,1,0,1,0,0|2,0,0]=4 15800 B14R1.108 CCC1CCCN1CCCCB(O)O 2230a_100000754278_200009817182 [0,1,0,1,0,0|1,0,1]=4 15801 B14R1.108 CCC1CCCN1CCCCB(O)O 269982a_100000754278_200009817182 [0,1,0,1,0,0|1,0,1]=4 15802 B14R1.108 CCC1CCCN1CCCCB(O)O 34a_100000754278_200009817182 [0,1,0,1,0,0|1,0,1]=4 15803 B14R1.108 CCC1CCCN1CCCCC(=O)C 269982a_100000754278_100000735457 [0,1,0,1,0,0|1,0,0]=3 15804 B14R1.108 CCC1CCCN1CCCCC(=O)C 34a_100000754278_100009817362 [0,1,0,1,0,0|1,0,0]=3 15805 B14R1.108 CCC1CCCN1CCCOC(=O)C 269982a_100000754278_100000042594 [0,1,0,1,0,0|2,0,0]=4 15806 B14R1.108 CCC1CCCN1CCCOC(=O)C 34a_100000754278_100000042594 [0,1,0,1,0,0|2,0,0]=4 15807 B14R1.108 CCC1CCCN1CCCSC(=O)C 2230a_100000754278_100000038929 [0,1,0,1,0,0|2,0,0]=4 15808 B14R1.108 CCC1CCCN1CCCSC(=O)C 269982a_100000754278_100000038929 [0,1,0,1,0,0|2,0,0]=4 15809 B14R1.108 CCC1CCCN1CCCSC(=O)C 34a_100000754278_100000038929 [0,1,0,1,0,0|2,0,0]=4 15810 B14R1.108 CCC1CCCN1CCOCC(=O)N 2230a_100000754278_100000076697 [0,1,0,1,0,0|2,0,0]=4 15811 B14R1.108 CCC1CCCN1CCOCC(=O)N 269982a_100000754278_100000076697 [0,1,0,1,0,0|2,0,0]=4 15812 B14R1.108 CCC1CCCN1CCOCC(=O)N 34a_100000754278_100000076697 [0,1,0,1,0,0|2,0,0]=4 15813 B14R1.108 CCN1CCCC1CNCCC(=O)N 2230a_100000211693_100000744528 [0,1,0,1,0,0|2,0,0]=4 15814 B14R1.108 CCN1CCC[C@@H]1COCCC(=O)C 7a_100011739246_100000053229 [0,1,0,1,0,0|2,0,0]=4 15815 B14R1.108 CCN1CCC[C@@H]1COCCC(=O)N 34a_100011739246_100000731001 [0,1,0,1,0,0|2,0,0]=4 15816 B14R1.108 CCN1CCC[C@@H]1COCCC(=O)N 7a_100011739246_100000744528 [0,1,0,1,0,0|2,0,0]=4 15817 B14R1.122 CCCCCCCCN1CCC(C1)O 2230a_100011215560_100000210759 [0,1,0,1,0,0|1,0,1]=4 15818 B14R1.122 CCCCCCCCN1CCC(C1)O 269982a_100011215560_100000210759 [0,1,0,1,0,0|1,0,1]=4 15819 B14R1.122 CCCCCCCCN1CNC(=O)C1 2230a_200000708111_100000210759 [0,1,0,1,0,0|2,0,0]=4 15820 B14R1.122 CCCCCCCNC1CCC(C1)O 270004a_100000229938_100012614533 [0,1,0,1,0,0|1,0,1]=4 15821 B14R1.122 CCCCCCCNC1CNC(=O)C1 2230a_100000697751_100000210681 [0,1,0,1,0,0|2,0,0]=4 15822 B14R1.122 CCCCCCCN[C@H]1CC[C@H](C1)O 2230a_100015195300_100000210681 [0,1,0,1,0,0|1,0,1]=4 15823 B14R1.122 CCCCCCCOC1CCC(=O)C1 34a_100012614533_100000210614 [0,1,0,1,0,0|1,0,0]=3 15824 B14R1.122 CCCCCCCOC1CNC(=O)C1 34a_100000690082_100000210614 [0,1,0,1,0,0|2,0,0]=4 15825 B14R1.122 CCCCCCCOC1COC(=O)O1 34a_100000210272_100000032252 [0,1,0,1,0,0|1,0,0]=3 15826 B14R1.122 CCCCCCCSC1COC(=O)O1 62a_100000210614_100000032252 [0,1,0,1,0,0|1,0,0]=3 15827 B14R1.122 CCCCCCNCC1CNC(=O)C1 2230a_100016993742_100000210314 [0,1,0,1,0,0|2,0,0]=4 15828 B14R1.122 CCCCCCNCC1CNC(=O)C1 34a_100016993742_100000210314 [0,1,0,1,0,0|2,0,0]=4 15829 B14R1.122 CCCCCCNCC1CNC(=O)O1 2230a_100000210581_100000181169 [0,1,0,1,0,0|1,0,0]=3 15830 B14R1.122 CCCCCCNC[C@@H]1CCC(=O)N1 2230a_100000210581_100015189358 [0,1,0,1,0,0|1,0,0]=3 15831 B14R1.122 CCCCCCNC[C@H]1CCC(=O)N1 2230a_100015423886_100000210314 [0,1,0,1,0,0|1,0,0]=3 15832 B14R1.122 CCCCCCNC[C@H]1CCC(=O)N1 34a_100015423886_100000210314 [0,1,0,1,0,0|1,0,0]=3 15833 B14R1.122 CCCCCCNC[C@H]1COC(=O)N1 2230a_100000210581_100015307671 [0,1,0,1,0,0|2,0,0]=4 15834 B14R1.122 CCCCCCOCC1CCC(=O)N1 34a_100000737831_100000210314 [0,1,0,1,0,0|1,0,0]=3 15835 B14R1.122 CCCCCCOCC1CNC(=O)C1 34a_100016041077_100000210314 [0,1,0,1,0,0|2,0,0]=4 15836 B14R1.122 CCCCCCOCC1CNC(=O)O1 34a_100000210259_100000181169 [0,1,0,1,0,0|1,0,0]=3 15837 B14R1.122 CCCCCCOCC1CNC(=O)O1 34a_100011315639_100000210314 [0,1,0,1,0,0|1,0,0]=3 15838 B14R1.122 CCCCCCOCC1CNC(=O)O1 7a_100000210259_100000181169 [0,1,0,1,0,0|1,0,0]=3 15839 B14R1.122 CCCCCCOCC1COC(=O)O1 34a_100000210259_100000073702 [0,1,0,1,0,0|1,0,0]=3 15840 B14R1.122 CCCCCCOC[C@@H]1CCC(=O)N1 7a_100000210259_100015189358 [0,1,0,1,0,0|1,0,0]=3 15841 B14R1.122 CCCCCCOC[C@H]1COC(=O)N1 34a_100000210259_100015307671 [0,1,0,1,0,0|2,0,0]=4 15842 B14R1.122 CCCCCCOC[C@H]1COC(=O)N1 7a_100000210259_100015307671 [0,1,0,1,0,0|2,0,0]=4 15843 B14R1.122 CCCCCCSCC1CNC(=O)O1 62a_100000181169_100000210757 [0,1,0,1,0,0|1,0,0]=3 15844 B14R1.122 CCCCCCSCC1CNC(=O)O1 62a_100000210314_100000181169 [0,1,0,1,0,0|1,0,0]=3 15845 B14R1.122 CCCCCCSCC1COC(=O)O1 62a_100000073702_100000210757 [0,1,0,1,0,0|1,0,0]=3 15846 B14R1.122 CCCCCCSCC1COC(=O)O1 62a_100000210314_100000073702 [0,1,0,1,0,0|1,0,0]=3 15847 B14R1.122 CCCCCCSC[C@@H]1CCC(=O)N1 62a_100000210314_100015189358 [0,1,0,1,0,0|1,0,0]=3 15848 B14R1.122 CCCCCCSC[C@@H]1CCC(=O)N1 62a_100015189358_100000210757 [0,1,0,1,0,0|1,0,0]=3 15849 B14R1.122 CCCCCCSC[C@H]1COC(=O)N1 62a_100000210314_100015307671 [0,1,0,1,0,0|2,0,0]=4 15850 B14R1.122 CCCCCCSC[C@H]1COC(=O)N1 62a_100015307671_100000210757 [0,1,0,1,0,0|2,0,0]=4 15851 B14R1.122 CCCCCOCCC1COS(=O)O1 7a_100000210253_100009840081 [0,1,0,1,0,0|2,0,0]=4 15852 B14R1.122 CCCCCSCCC1COS(=O)O1 62a_100000210326_100009840081 [0,1,0,1,0,0|2,0,0]=4 15853 B14R1.122 CCCCOCCOC1CCC(=O)C1 34a_100012614533_100000743108 [0,1,0,1,0,0|2,0,0]=4 15854 B14R1.122 CCCCOCCOC1COC(=O)O1 34a_100000210238_100000032252 [0,1,0,1,0,0|2,0,0]=4 15855 B14R1.122 CCCCOCCSC1COC(=O)O1 62a_100000743108_100000032252 [0,1,0,1,0,0|2,0,0]=4 15856 B14R1.122 CCCCOCNC[C@H]1CCC(=O)N1 2230a_100015423886_100011995733 [0,1,0,1,0,0|2,0,0]=4 15857 B14R1.122 CCCCOCNC[C@H]1CCC(=O)N1 34a_100015423886_100011995733 [0,1,0,1,0,0|2,0,0]=4 15858 B14R1.122 CCCCOCOCC1CCC(=O)N1 34a_100000737831_100011995733 [0,1,0,1,0,0|2,0,0]=4 15859 B14R1.122 CCCCOCOCC1CNC(=O)O1 34a_100011315639_100011995733 [0,1,0,1,0,0|2,0,0]=4 15860 B14R1.122 CCCCOCSCC1CNC(=O)O1 62a_100000181169_100011995733 [0,1,0,1,0,0|2,0,0]=4 15861 B14R1.122 CCCCOCSCC1CNC(=O)O1 62a_100011995733_100000181169 [0,1,0,1,0,0|2,0,0]=4 15862 B14R1.122 CCCCOCSCC1COC(=O)O1 62a_100000073702_100011995733 [0,1,0,1,0,0|2,0,0]=4 15863 B14R1.122 CCCCOCSCC1COC(=O)O1 62a_100011995733_100000073702 [0,1,0,1,0,0|2,0,0]=4 15864 B14R1.122 CCCCOCSC[C@@H]1CCC(=O)N1 62a_100011995733_100015189358 [0,1,0,1,0,0|2,0,0]=4 15865 B14R1.122 CCCCOCSC[C@@H]1CCC(=O)N1 62a_100015189358_100011995733 [0,1,0,1,0,0|2,0,0]=4 15866 B14R1.122 CCCCSCCOC1COC(=O)O1 34a_200000230436_100000032252 [0,1,0,1,0,0|2,0,0]=4 15867 B14R1.122 CCCOCCCNC1COC(=O)O1 34a_100011217757_100000032252 [0,1,0,1,0,0|2,0,0]=4 15868 B14R1.122 CCCOCCNCC1CNC(=O)O1 2230a_100161115042_100000181169 [0,1,0,1,0,0|2,0,0]=4 15869 B14R1.122 CCCOCCNCC1CNC(=O)O1 34a_100161115042_100000181169 [0,1,0,1,0,0|2,0,0]=4 15870 B14R1.122 CCCOCCNCC1COC(=O)O1 34a_100161115042_100000073702 [0,1,0,1,0,0|2,0,0]=4 15871 B14R1.122 CCCOCCNC[C@@H]1CCC(=O)N1 2230a_100161115042_100015189358 [0,1,0,1,0,0|2,0,0]=4 15872 B14R1.122 CCCOCCNC[C@H]1CCC(=O)N1 2230a_100015423886_100011215938 [0,1,0,1,0,0|2,0,0]=4 15873 B14R1.122 CCCOCCNC[C@H]1CCC(=O)N1 34a_100015423886_100011215938 [0,1,0,1,0,0|2,0,0]=4 15874 B14R1.122 CCCOCCOCC1CCC(=O)N1 34a_100000737831_100011215938 [0,1,0,1,0,0|2,0,0]=4 15875 B14R1.122 CCCOCCOCC1CNC(=O)O1 34a_100000752267_100000181169 [0,1,0,1,0,0|2,0,0]=4 15876 B14R1.122 CCCOCCOCC1CNC(=O)O1 34a_100011315639_100011215938 [0,1,0,1,0,0|2,0,0]=4 15877 B14R1.122 CCCOCCOCC1CNC(=O)O1 7a_100000752267_100000181169 [0,1,0,1,0,0|2,0,0]=4 15878 B14R1.122 CCCOCCOCC1COC(=O)O1 34a_100000752267_100000073702 [0,1,0,1,0,0|2,0,0]=4 15879 B14R1.122 CCCOCCOC[C@@H]1CCC(=O)N1 7a_100000752267_100015189358 [0,1,0,1,0,0|2,0,0]=4 15880 B14R1.122 CCCOCCSCC1CNC(=O)O1 62a_100000181169_100011215938 [0,1,0,1,0,0|2,0,0]=4 15881 B14R1.122 CCCOCCSCC1CNC(=O)O1 62a_100011215938_100000181169 [0,1,0,1,0,0|2,0,0]=4 15882 B14R1.122 CCCOCCSCC1COC(=O)O1 62a_100000073702_100011215938 [0,1,0,1,0,0|2,0,0]=4 15883 B14R1.122 CCCOCCSCC1COC(=O)O1 62a_100011215938_100000073702 [0,1,0,1,0,0|2,0,0]=4 15884 B14R1.122 CCCOCCSC[C@@H]1CCC(=O)N1 62a_100011215938_100015189358 [0,1,0,1,0,0|2,0,0]=4 15885 B14R1.122 CCCOCCSC[C@@H]1CCC(=O)N1 62a_100015189358_100011215938 [0,1,0,1,0,0|2,0,0]=4 15886 B14R1.122 CCCSCCNCC1CNC(=O)O1 2230a_100020603323_100000181169 [0,1,0,1,0,0|2,0,0]=4 15887 B14R1.122 CCCSCCNC[C@@H]1CCC(=O)N1 2230a_100020603323_100015189358 [0,1,0,1,0,0|2,0,0]=4 15888 B14R1.122 CCCSCCOCC1CNC(=O)O1 34a_200000230433_100000181169 [0,1,0,1,0,0|2,0,0]=4 15889 B14R1.122 CCCSCCOCC1CNC(=O)O1 7a_200000230433_100000181169 [0,1,0,1,0,0|2,0,0]=4 15890 B14R1.122 CCCSCCOCC1COC(=O)O1 34a_200000230433_100000073702 [0,1,0,1,0,0|2,0,0]=4 15891 B14R1.122 CCCSCCOC[C@@H]1CCC(=O)N1 7a_200000230433_100015189358 [0,1,0,1,0,0|2,0,0]=4 15892 B14R1.122 CCOCCCNCC1CNC(=O)O1 2230a_100000210961_100000181169 [0,1,0,1,0,0|2,0,0]=4 15893 B14R1.122 CCOCCCNCC1CNC(=O)O1 34a_100000210961_100000181169 [0,1,0,1,0,0|2,0,0]=4 15894 B14R1.122 CCOCCCNCC1COC(=O)O1 34a_100000210961_100000073702 [0,1,0,1,0,0|2,0,0]=4 15895 B14R1.122 CCOCCCNC[C@@H]1CCC(=O)N1 2230a_100000210961_100015189358 [0,1,0,1,0,0|2,0,0]=4 15896 B14R1.122 CCOCCCNC[C@H]1CCC(=O)N1 2230a_100015423886_100012232248 [0,1,0,1,0,0|2,0,0]=4 15897 B14R1.122 CCOCCCNC[C@H]1CCC(=O)N1 34a_100015423886_100012232248 [0,1,0,1,0,0|2,0,0]=4 15898 B14R1.122 CCOCCCOCC1CCC(=O)N1 34a_100000737831_100012232248 [0,1,0,1,0,0|2,0,0]=4 15899 B14R1.122 CCOCCCOCC1CNC(=O)O1 34a_100000757476_100000181169 [0,1,0,1,0,0|2,0,0]=4 15900 B14R1.122 CCOCCCOCC1CNC(=O)O1 34a_100011315639_100012232248 [0,1,0,1,0,0|2,0,0]=4 15901 B14R1.122 CCOCCCOCC1CNC(=O)O1 7a_100000757476_100000181169 [0,1,0,1,0,0|2,0,0]=4 15902 B14R1.122 CCOCCCOCC1COC(=O)O1 34a_100000757476_100000073702 [0,1,0,1,0,0|2,0,0]=4 15903 B14R1.122 CCOCCCOC[C@@H]1CCC(=O)N1 7a_100000757476_100015189358 [0,1,0,1,0,0|2,0,0]=4 15904 B14R1.122 CCOCCCSCC1CNC(=O)O1 62a_100000181169_100012232248 [0,1,0,1,0,0|2,0,0]=4 15905 B14R1.122 CCOCCCSCC1CNC(=O)O1 62a_100012232248_100000181169 [0,1,0,1,0,0|2,0,0]=4 15906 B14R1.122 CCOCCCSCC1COC(=O)O1 62a_100000073702_100012232248 [0,1,0,1,0,0|2,0,0]=4 15907 B14R1.122 CCOCCCSCC1COC(=O)O1 62a_100012232248_100000073702 [0,1,0,1,0,0|2,0,0]=4 15908 B14R1.122 CCOCCCSC[C@@H]1CCC(=O)N1 62a_100012232248_100015189358 [0,1,0,1,0,0|2,0,0]=4 15909 B14R1.122 CCOCCCSC[C@@H]1CCC(=O)N1 62a_100015189358_100012232248 [0,1,0,1,0,0|2,0,0]=4 15910 B14R1.122 CCSCCCOCC1CNC(=O)O1 34a_100011216438_100000181169 [0,1,0,1,0,0|2,0,0]=4 15911 B14R1.122 CCSCCCOCC1CNC(=O)O1 7a_100011216438_100000181169 [0,1,0,1,0,0|2,0,0]=4 15912 B14R1.122 CCSCCCOCC1COC(=O)O1 34a_100011216438_100000073702 [0,1,0,1,0,0|2,0,0]=4 15913 B14R1.122 CCSCCCOC[C@@H]1CCC(=O)N1 7a_100011216438_100015189358 [0,1,0,1,0,0|2,0,0]=4 15914 B14R1.122 CNCCCCCOC1COC(=O)O1 34a_100000722520_100000032252 [0,1,0,1,0,0|2,0,0]=4 15915 B14R1.122 COCCCCCNC1COC(=O)O1 34a_100000747528_100000032252 [0,1,0,1,0,0|2,0,0]=4 15916 B14R1.122 COCCCCNC[C@H]1CCC(=O)N1 2230a_100015423886_100000730899 [0,1,0,1,0,0|2,0,0]=4 15917 B14R1.122 COCCCCNC[C@H]1CCC(=O)N1 34a_100015423886_100000755781 [0,1,0,1,0,0|2,0,0]=4 15918 B14R1.122 COCCCCOCC1CCC(=O)N1 34a_100000737831_100000755781 [0,1,0,1,0,0|2,0,0]=4 15919 B14R1.122 COCCCCOCC1CNC(=O)O1 34a_100000740925_100000181169 [0,1,0,1,0,0|2,0,0]=4 15920 B14R1.122 COCCCCOCC1CNC(=O)O1 34a_100011315639_100000755781 [0,1,0,1,0,0|2,0,0]=4 15921 B14R1.122 COCCCCOCC1COC(=O)O1 34a_100000740925_100000073702 [0,1,0,1,0,0|2,0,0]=4 15922 B14R1.122 COCCCCSCC1CNC(=O)O1 62a_100000181169_100000730899 [0,1,0,1,0,0|2,0,0]=4 15923 B14R1.122 COCCCCSCC1CNC(=O)O1 62a_100000730899_100000181169 [0,1,0,1,0,0|2,0,0]=4 15924 B14R1.122 COCCCCSCC1COC(=O)O1 62a_100000073702_100000730899 [0,1,0,1,0,0|2,0,0]=4 15925 B14R1.122 COCCCCSCC1COC(=O)O1 62a_100000730899_100000073702 [0,1,0,1,0,0|2,0,0]=4 15926 B14R1.122 COCCCCSC[C@@H]1CCC(=O)N1 62a_100000730899_100015189358 [0,1,0,1,0,0|2,0,0]=4 15927 B14R1.122 COCCCCSC[C@@H]1CCC(=O)N1 62a_100015189358_100000730899 [0,1,0,1,0,0|2,0,0]=4 15928 B14R1.122 CSCCCCOCC1CNC(=O)O1 34a_100011217163_100000181169 [0,1,0,1,0,0|2,0,0]=4 15929 B14R1.122 CSCCCCOCC1CNC(=O)O1 7a_100011217163_100000181169 [0,1,0,1,0,0|2,0,0]=4 15930 B14R1.122 CSCCCCOCC1COC(=O)O1 34a_100011217163_100000073702 [0,1,0,1,0,0|2,0,0]=4 15931 B14R1.122 CSCCCCOC[C@@H]1CCC(=O)N1 7a_100011217163_100015189358 [0,1,0,1,0,0|2,0,0]=4 15932 B14R1.122 NCCCCCCOC1COC(=O)O1 34a_100000686447_100000032252 [0,1,0,1,0,0|2,0,0]=4 15933 B14R1.122 NCCCCCOCC1CNC(=O)O1 34a_100000762737_100000181169 [0,1,0,1,0,0|2,0,0]=4 15934 B14R1.122 NCCCCCOCC1COC(=O)O1 34a_100000762737_100000073702 [0,1,0,1,0,0|2,0,0]=4 15935 B14R1.122 O=C1CCC(C1)OCCCCCCF 34a_100012614533_100015922095 [0,1,0,1,0,0|2,0,0]=4 15936 B14R1.122 O=C1CCC(C1)OCCCCCCO 34a_100012614533_100000766143 [0,1,0,1,0,0|2,0,0]=4 15937 B14R1.122 O=C1CCC(N1)COCCCCCF 34a_100000737831_100000729378 [0,1,0,1,0,0|2,0,0]=4 15938 B14R1.122 O=C1CCC(N1)COCCCCCO 34a_100000737831_100000746330 [0,1,0,1,0,0|2,0,0]=4 15939 B14R1.122 O=C1CC[C@@H](N1)CNCCCCCF 2230a_100015423886_100000729378 [0,1,0,1,0,0|2,0,0]=4 15940 B14R1.122 O=C1CC[C@@H](N1)CNCCCCCF 34a_100015423886_100000729378 [0,1,0,1,0,0|2,0,0]=4 15941 B14R1.122 O=C1CC[C@@H](N1)CNCCCCCO 2230a_100015423886_100000746330 [0,1,0,1,0,0|2,0,0]=4 15942 B14R1.122 O=C1CC[C@@H](N1)CNCCCCCO 34a_100015423886_100000746330 [0,1,0,1,0,0|2,0,0]=4 15943 B14R1.122 O=C1CC[C@H](N1)CNCCCCCO 2230a_100000762737_100015189358 [0,1,0,1,0,0|2,0,0]=4 15944 B14R1.122 O=C1CC[C@H](N1)COCCCCCBr 7a_100000746331_100015189358 [0,1,0,1,0,0|2,0,0]=4 15945 B14R1.122 O=C1CC[C@H](N1)COCCCCCCl 7a_100000746330_100015189358 [0,1,0,1,0,0|2,0,0]=4 15946 B14R1.122 O=C1CC[C@H](N1)COCCCCCI 7a_200012148887_100015189358 [0,1,0,1,0,0|2,0,0]=4 15947 B14R1.122 O=C1CC[C@H](N1)CSCCCCCF 62a_100000729378_100015189358 [0,1,0,1,0,0|2,0,0]=4 15948 B14R1.122 O=C1CC[C@H](N1)CSCCCCCF 62a_100015189358_100000729378 [0,1,0,1,0,0|2,0,0]=4 15949 B14R1.122 O=C1CC[C@H](N1)CSCCCCCO 62a_100000746330_100015189358 [0,1,0,1,0,0|2,0,0]=4 15950 B14R1.122 O=C1CC[C@H](N1)CSCCCCCO 62a_100015189358_100000746330 [0,1,0,1,0,0|2,0,0]=4 15951 B14R1.122 O=C1NCC(O1)CNCCCCCO 2230a_100000762737_100000181169 [0,1,0,1,0,0|2,0,0]=4 15952 B14R1.122 O=C1NCC(O1)CNCCCCCO 34a_100000762737_100000181169 [0,1,0,1,0,0|2,0,0]=4 15953 B14R1.122 O=C1NCC(O1)COCCCCCBr 34a_100000746331_100000181169 [0,1,0,1,0,0|2,0,0]=4 15954 B14R1.122 O=C1NCC(O1)COCCCCCBr 7a_100000746331_100000181169 [0,1,0,1,0,0|2,0,0]=4 15955 B14R1.122 O=C1NCC(O1)COCCCCCCl 34a_100000746330_100000181169 [0,1,0,1,0,0|2,0,0]=4 15956 B14R1.122 O=C1NCC(O1)COCCCCCCl 7a_100000746330_100000181169 [0,1,0,1,0,0|2,0,0]=4 15957 B14R1.122 O=C1NCC(O1)COCCCCCF 34a_100011315639_100000729378 [0,1,0,1,0,0|2,0,0]=4 15958 B14R1.122 O=C1NCC(O1)COCCCCCI 34a_200012148887_100000181169 [0,1,0,1,0,0|2,0,0]=4 15959 B14R1.122 O=C1NCC(O1)COCCCCCI 7a_200012148887_100000181169 [0,1,0,1,0,0|2,0,0]=4 15960 B14R1.122 O=C1NCC(O1)COCCCCCO 34a_100011315639_100000746330 [0,1,0,1,0,0|2,0,0]=4 15961 B14R1.122 O=C1NCC(O1)CSCCCCCF 62a_100000181169_100000729378 [0,1,0,1,0,0|2,0,0]=4 15962 B14R1.122 O=C1NCC(O1)CSCCCCCF 62a_100000729378_100000181169 [0,1,0,1,0,0|2,0,0]=4 15963 B14R1.122 O=C1NCC(O1)CSCCCCCO 62a_100000181169_100000746330 [0,1,0,1,0,0|2,0,0]=4 15964 B14R1.122 O=C1NCC(O1)CSCCCCCO 62a_100000746330_100000181169 [0,1,0,1,0,0|2,0,0]=4 15965 B14R1.122 O=C1OCC(O1)CNCCCCCO 34a_100000762737_100000073702 [0,1,0,1,0,0|2,0,0]=4 15966 B14R1.122 O=C1OCC(O1)COCCCCCBr 34a_100000746331_100000073702 [0,1,0,1,0,0|2,0,0]=4 15967 B14R1.122 O=C1OCC(O1)COCCCCCCl 34a_100000746330_100000073702 [0,1,0,1,0,0|2,0,0]=4 15968 B14R1.122 O=C1OCC(O1)COCCCCCI 34a_200012148887_100000073702 [0,1,0,1,0,0|2,0,0]=4 15969 B14R1.122 O=C1OCC(O1)CSCCCCCF 62a_100000073702_100000729378 [0,1,0,1,0,0|2,0,0]=4 15970 B14R1.122 O=C1OCC(O1)CSCCCCCF 62a_100000729378_100000073702 [0,1,0,1,0,0|2,0,0]=4 15971 B14R1.122 O=C1OCC(O1)CSCCCCCO 62a_100000073702_100000746330 [0,1,0,1,0,0|2,0,0]=4 15972 B14R1.122 O=C1OCC(O1)CSCCCCCO 62a_100000746330_100000073702 [0,1,0,1,0,0|2,0,0]=4 15973 B14R1.122 O=C1OCC(O1)NCCCCCCO 34a_100000686447_100000032252 [0,1,0,1,0,0|2,0,0]=4 15974 B14R1.122 O=C1OCC(O1)OCCCCCCBr 34a_100011215345_100000032252 [0,1,0,1,0,0|2,0,0]=4 15975 B14R1.122 O=C1OCC(O1)OCCCCCCCl 34a_100000766143_100000032252 [0,1,0,1,0,0|2,0,0]=4 15976 B14R1.122 O=C1OCC(O1)OCCCCCCF 34a_100000732779_100000032252 [0,1,0,1,0,0|2,0,0]=4 15977 B14R1.122 O=C1OCC(O1)SCCCCCCF 62a_100015922095_100000032252 [0,1,0,1,0,0|2,0,0]=4 15978 B14R1.122 O=C1OCC(O1)SCCCCCCO 62a_100000766143_100000032252 [0,1,0,1,0,0|2,0,0]=4 15979 B14R1.159 CC(=O)CCCCN1CCCCC1C 269982a_100000211376_100000735457 [0,1,0,1,0,0|1,0,0]=3 15980 B14R1.159 CC(=O)CCCCN1CCCCC1C 34a_100000211376_100009817362 [0,1,0,1,0,0|1,0,0]=3 15981 B14R1.159 CC(=O)CCCCN1CCOC[C@@H]1C 269982a_100009815349_100000735457 [0,1,0,1,0,0|2,0,0]=4 15982 B14R1.159 CC(=O)CCCCN1CCOC[C@@H]1C 34a_100009815349_100009817362 [0,1,0,1,0,0|2,0,0]=4 15983 B14R1.159 CC(=O)CCCNC1CCCCC1C 34a_100000211402_100000685027 [0,1,0,1,0,0|1,0,0]=3 15984 B14R1.159 CC(=O)CCCN[C@@H]1CCCC[C@H]1F 34a_100015195156_100000685027 [0,1,0,1,0,0|2,0,0]=4 15985 B14R1.159 CC(=O)CCCOC1CCCCC1C 34a_100000211207_100000685027 [0,1,0,1,0,0|1,0,0]=3 15986 B14R1.159 CC(=O)CCCOC1CCCCC1C 7a_100000211207_100011215641 [0,1,0,1,0,0|1,0,0]=3 15987 B14R1.159 CC(=O)CCCOC1CCCCC1Cl 34a_100000038908_100000685027 [0,1,0,1,0,0|2,0,0]=4 15988 B14R1.159 CC(=O)CCCOC1CCCCC1Cl 7a_100000038908_100011215641 [0,1,0,1,0,0|2,0,0]=4 15989 B14R1.159 CC(=O)CCCOC1CCCCC1F 34a_100000759063_100015423560 [0,1,0,1,0,0|2,0,0]=4 15990 B14R1.159 CC(=O)CCCOC1CCCCC1O 34a_100000759063_100000038908 [0,1,0,1,0,0|2,0,0]=4 15991 B14R1.159 CC(=O)CCCOC1CCNCC1C 34a_100011998114_100000685027 [0,1,0,1,0,0|2,0,0]=4 15992 B14R1.159 CC(=O)CCCOC1CNCCC1C 34a_100000696640_100000685027 [0,1,0,1,0,0|2,0,0]=4 15993 B14R1.159 CC(=O)CCCO[C@@H]1CCCC[C@H]1F 34a_100009816020_100000685027 [0,1,0,1,0,0|2,0,0]=4 15994 B14R1.159 CC(=O)CCCO[C@@H]1CCCC[C@H]1F 7a_100009816020_100011215641 [0,1,0,1,0,0|2,0,0]=4 15995 B14R1.159 CC(=O)CCCO[C@H]1CCCC[C@H]1N 34a_100015191688_100000685027 [0,1,0,1,0,0|2,0,0]=4 15996 B14R1.159 CC(=O)CCCSC1CCCCC1F 62a_100011215641_100015423560 [0,1,0,1,0,0|2,0,0]=4 15997 B14R1.159 CC(=O)CCCSC1CCCCC1F 62a_100015423560_100011215641 [0,1,0,1,0,0|2,0,0]=4 15998 B14R1.159 CC(=O)CCCSC1CCCCC1O 62a_100000038908_100011215641 [0,1,0,1,0,0|2,0,0]=4 15999 B14R1.159 CC(=O)CCCSC1CCCCC1O 62a_100011215641_100000038908 [0,1,0,1,0,0|2,0,0]=4 16000 B14R1.159 CC(=O)CCOCC1CCCCN1C 34a_100000759926_100015186950 [0,1,0,1,0,0|2,0,0]=4 16001 B14R1.159 CC(=O)CCOCC1CCCCN1C 7a_100000759926_100015185383 [0,1,0,1,0,0|2,0,0]=4 16002 B14R1.159 CC(=O)CCSCC1CCCCN1C 62a_100000053229_100015185383 [0,1,0,1,0,0|2,0,0]=4 16003 B14R1.159 CC(=O)CCSCC1CCCCN1C 62a_100015185383_100000053229 [0,1,0,1,0,0|2,0,0]=4 16004 B14R1.159 CC(=O)COCCC1CCCCN1C 34a_100000211253_100000211948 [0,1,0,1,0,0|2,0,0]=4 16005 B14R1.159 CC(=O)NCCCN1CCCCC1C 240690a_100000212276_100015343762 [0,1,0,1,0,0|2,0,0]=4 16006 B14R1.159 CC(=O)NCCCN1CCCCC1C 527a_100000212276_100103153847 [0,1,0,1,0,0|2,0,0]=4 16007 B14R1.159 CC(=O)NCCNC1CCCCC1C 2230a_100000211402_100000189650 [0,1,0,1,0,0|2,0,0]=4 16008 B14R1.159 CC(=O)NCCNC1CCCCC1C 269862a_100000209853_100000210921 [0,1,0,1,0,0|2,0,0]=4 16009 B14R1.159 CC(=O)NCCOC1CCCCC1C 7a_100000211207_100000189650 [0,1,0,1,0,0|2,0,0]=4 16010 B14R1.159 CC(=O)OCCCN1CCCCC1C 269982a_100000211376_100000042594 [0,1,0,1,0,0|2,0,0]=4 16011 B14R1.159 CC(=O)OCCCN1CCCCC1C 34a_100000211376_100000042594 [0,1,0,1,0,0|2,0,0]=4 16012 B14R1.159 CC(=O)OCCNC1CCCCC1C 34a_100000211402_100009814007 [0,1,0,1,0,0|2,0,0]=4 16013 B14R1.159 CC(=O)OCCOC1CCCCC1C 34a_100000211207_100009814007 [0,1,0,1,0,0|2,0,0]=4 16014 B14R1.159 CC(=O)OCCOC1CCCCC1C 7a_100000211207_100009814007 [0,1,0,1,0,0|2,0,0]=4 16015 B14R1.159 CC(=O)SCCCN1CCCCC1C 2230a_100000211376_100000038929 [0,1,0,1,0,0|2,0,0]=4 16016 B14R1.159 CC(=O)SCCCN1CCCCC1C 269982a_100000211376_100000038929 [0,1,0,1,0,0|2,0,0]=4 16017 B14R1.159 CC(=O)SCCCN1CCCCC1C 34a_100000211376_100000038929 [0,1,0,1,0,0|2,0,0]=4 16018 B14R1.159 CC(=O)SCCNC1CCCCC1C 269862a_100020647217_100000210921 [0,1,0,1,0,0|2,0,0]=4 16019 B14R1.159 CC(O)CCCNC1CCCCC1C 2230a_100000211402_200000718107 [0,1,0,1,0,0|1,0,1]=4 16020 B14R1.159 CC(O)CCCNC1CCCCC1C 34a_100000211402_200000718107 [0,1,0,1,0,0|1,0,1]=4 16021 B14R1.159 CC(O)CCCOC1CCCCC1C 34a_100000211207_200000718107 [0,1,0,1,0,0|1,0,1]=4 16022 B14R1.159 CC(O)CCCOC1CCCCC1C 7a_100000211207_200000718107 [0,1,0,1,0,0|1,0,1]=4 16023 B14R1.159 CC1CCCCC1NCCCC(=O)N 269862a_100000739312_100000210921 [0,1,0,1,0,0|1,0,0]=3 16024 B14R1.159 CC1CCCCC1NCCCC(=O)N 34a_100000211402_100102525003 [0,1,0,1,0,0|1,0,0]=3 16025 B14R1.159 CC1CCCCC1NCCCS(=O)C 270004a_200000753449_100000210921 [0,1,0,1,0,0|2,0,0]=4 16026 B14R1.159 CC1CCCCC1NCCNC(=O)N 2230a_100000211402_200000034859 [0,1,0,1,0,0|2,0,0]=4 16027 B14R1.159 CC1CCCCC1NCCNC(=O)N 269862a_100020590234_100000210921 [0,1,0,1,0,0|2,0,0]=4 16028 B14R1.159 CC1CCCCC1NCCOC(=O)N 34a_100000211402_200011214921 [0,1,0,1,0,0|2,0,0]=4 16029 B14R1.159 CC1CCCCC1OCCCC(=O)N 34a_100000211207_100102525003 [0,1,0,1,0,0|1,0,0]=3 16030 B14R1.159 CC1CCCCC1OCCCC(=O)N 7a_100000211207_100102525003 [0,1,0,1,0,0|1,0,0]=3 16031 B14R1.159 CC1CCCCC1OCCNC(=O)N 7a_100000211207_200000034859 [0,1,0,1,0,0|2,0,0]=4 16032 B14R1.159 CC1CCCCC1OCCOC(=O)N 34a_100000211207_200011214921 [0,1,0,1,0,0|2,0,0]=4 16033 B14R1.159 CC1CCCCC1OCCOC(=O)N 7a_100000211207_200011214921 [0,1,0,1,0,0|2,0,0]=4 16034 B14R1.159 CC1CCCCN1CCCCB(O)O 2230a_100000211376_200009817182 [0,1,0,1,0,0|1,0,1]=4 16035 B14R1.159 CC1CCCCN1CCCCB(O)O 269982a_100000211376_200009817182 [0,1,0,1,0,0|1,0,1]=4 16036 B14R1.159 CC1CCCCN1CCCCB(O)O 34a_100000211376_200009817182 [0,1,0,1,0,0|1,0,1]=4 16037 B14R1.159 CC1CCCCN1CCNCC(=O)N 2230a_100000739827_100000747473 [0,1,0,1,0,0|2,0,0]=4 16038 B14R1.159 CC1CCCCN1CCNCC(=O)N 34a_100000739827_100000187820 [0,1,0,1,0,0|2,0,0]=4 16039 B14R1.159 CC1CCCCN1CCNCC(=O)[O-] 34a_100000739827_100020667443 [0,1,0,1,0,0|1,0,1]=4 16040 B14R1.159 CC1CCCCN1CCOCC(=O)N 2230a_100000211376_100000076697 [0,1,0,1,0,0|2,0,0]=4 16041 B14R1.159 CC1CCCCN1CCOCC(=O)N 269982a_100000211376_100000076697 [0,1,0,1,0,0|2,0,0]=4 16042 B14R1.159 CC1CCCCN1CCOCC(=O)N 34a_100000211376_100000076697 [0,1,0,1,0,0|2,0,0]=4 16043 B14R1.159 CC1CCCCN1CCOCC(=O)N 34a_100011305533_100000187820 [0,1,0,1,0,0|2,0,0]=4 16044 B14R1.159 CC1CCCCN1CCOCC(=O)[O-] 34a_100011305533_100020667443 [0,1,0,1,0,0|1,0,1]=4 16045 B14R1.159 CC1CCNCC1OCCCC(=O)N 34a_100000696640_100102525003 [0,1,0,1,0,0|2,0,0]=4 16046 B14R1.159 CC1CNCCC1OCCCC(=O)N 34a_100011998114_100102525003 [0,1,0,1,0,0|2,0,0]=4 16047 B14R1.159 CN1CCCCC1CCNCC(=O)N 2230a_100000711301_100000211948 [0,1,0,1,0,0|2,0,0]=4 16048 B14R1.159 CN1CCCCC1CCNCC(=O)O 269956a_100016091260_100000211948 [0,1,0,1,0,0|1,0,0]=3 16049 B14R1.159 CN1CCCCC1CCSCC(=O)N 62a_100000211948_100000747473 [0,1,0,1,0,0|2,0,0]=4 16050 B14R1.159 CN1CCCCC1CCSCC(=O)N 62a_100000747473_100000211948 [0,1,0,1,0,0|2,0,0]=4 16051 B14R1.159 CN1CCCCC1CCSCC(=O)[O-] 62a_100000211948_100020667443 [0,1,0,1,0,0|1,0,1]=4 16052 B14R1.159 CN1CCCCC1CCSCC(=O)[O-] 62a_100020667443_100000211948 [0,1,0,1,0,0|1,0,1]=4 16053 B14R1.159 CN1CCCCC1CNCCC(=O)N 34a_100011228421_100000731001 [0,1,0,1,0,0|2,0,0]=4 16054 B14R1.159 CN1CCCCC1CNOCC(=O)O 269956a_100000106656_100015185383 [0,1,0,1,0,0|2,0,0]=4 16055 B14R1.159 CN1CCCCC1COCCC(=O)N 34a_100000225079_100000731001 [0,1,0,1,0,0|2,0,0]=4 16056 B14R1.159 CN1CCCCC1COCCC(=O)N 34a_100000757172_100015186950 [0,1,0,1,0,0|2,0,0]=4 16057 B14R1.159 CN1CCCCC1COCCC(=O)N 7a_100000757172_100015185383 [0,1,0,1,0,0|2,0,0]=4 16058 B14R1.159 CN1CCCCC1CSCCC(=O)N 62a_100000744528_100015185383 [0,1,0,1,0,0|2,0,0]=4 16059 B14R1.159 CN1CCCCC1CSCCC(=O)N 62a_100015185383_100000744528 [0,1,0,1,0,0|2,0,0]=4 16060 B14R1.159 NC(=O)CCCNC1CCCCC1F 34a_100000739312_100015423560 [0,1,0,1,0,0|2,0,0]=4 16061 B14R1.159 NC(=O)CCCNC1CCCCC1O 34a_100000739312_100000038908 [0,1,0,1,0,0|2,0,0]=4 16062 B14R1.159 NC(=O)CCCN[C@@H]1CCCC[C@H]1F 34a_100015195156_100102525003 [0,1,0,1,0,0|2,0,0]=4 16063 B14R1.159 NC(=O)CCCOC1CCCCC1Cl 34a_100000038908_100102525003 [0,1,0,1,0,0|2,0,0]=4 16064 B14R1.159 NC(=O)CCCOC1CCCCC1Cl 7a_100000038908_100102525003 [0,1,0,1,0,0|2,0,0]=4 16065 B14R1.159 NC(=O)CCCO[C@@H]1CCCC[C@H]1F 34a_100009816020_100102525003 [0,1,0,1,0,0|2,0,0]=4 16066 B14R1.159 NC(=O)CCCO[C@@H]1CCCC[C@H]1F 7a_100009816020_100102525003 [0,1,0,1,0,0|2,0,0]=4 16067 B14R1.159 NC(=O)CCCO[C@H]1CCCC[C@H]1N 34a_100015191688_100102525003 [0,1,0,1,0,0|2,0,0]=4 16068 B14R1.159 NC(=O)CCCSC1CCCCC1F 62a_100015423560_100102525003 [0,1,0,1,0,0|2,0,0]=4 16069 B14R1.159 NC(=O)CCCSC1CCCCC1F 62a_100102525003_100015423560 [0,1,0,1,0,0|2,0,0]=4 16070 B14R1.159 NC(=O)CCCSC1CCCCC1O 62a_100000038908_100102525003 [0,1,0,1,0,0|2,0,0]=4 16071 B14R1.159 NC(=O)CCCSC1CCCCC1O 62a_100102525003_100000038908 [0,1,0,1,0,0|2,0,0]=4 16072 B14R1.159 NC(=O)CCNCC1CCCCC1O 34a_100011216029_100000731001 [0,1,0,1,0,0|2,0,0]=4 16073 B14R1.168 CC(=O)CCCCOC1CCCC1C 34a_100011216460_100009817362 [0,1,0,1,0,0|1,0,0]=3 16074 B14R1.168 CC(=O)CCCCOC1CCCC1C 7a_100011216460_100000735457 [0,1,0,1,0,0|1,0,0]=3 16075 B14R1.168 CC(=O)CCCCO[C@@H]1CCC[C@H]1Cl 34a_200016002552_100009817362 [0,1,0,1,0,0|2,0,0]=4 16076 B14R1.168 CC(=O)CCCCO[C@H]1CCC[C@@H]1N 34a_100000748460_100009817362 [0,1,0,1,0,0|2,0,0]=4 16077 B14R1.168 CC(=O)CCCCO[C@H]1CNC[C@H]1C 34a_200015306588_100009817362 [0,1,0,1,0,0|2,0,0]=4 16078 B14R1.168 CC(=O)CCCCS[C@@H]1CCC[C@H]1O 62a_100000735457_200016002552 [0,1,0,1,0,0|2,0,0]=4 16079 B14R1.168 CC(=O)CCCCS[C@@H]1CCC[C@H]1O 62a_200016002552_100000735457 [0,1,0,1,0,0|2,0,0]=4 16080 B14R1.168 CC(=O)CCCOCC1CCCN1C 34a_100000743107_100000685027 [0,1,0,1,0,0|2,0,0]=4 16081 B14R1.168 CC(=O)CCOCCC1CCCN1C 34a_100000759926_100000005710 [0,1,0,1,0,0|2,0,0]=4 16082 B14R1.168 CC(=O)CCOCCC1CCCN1C 7a_100000759926_100000005710 [0,1,0,1,0,0|2,0,0]=4 16083 B14R1.168 CC(=O)CCOCCC1CCCN1C 7a_100011215177_100000053229 [0,1,0,1,0,0|2,0,0]=4 16084 B14R1.168 CC(=O)CCSCCC1CCCN1C 62a_100000005710_100000053229 [0,1,0,1,0,0|2,0,0]=4 16085 B14R1.168 CC(=O)CCSCCC1CCCN1C 62a_100000053229_100000005710 [0,1,0,1,0,0|2,0,0]=4 16086 B14R1.168 CC(=O)NCCCNC1CCCC1C 269862a_100000736810_100000752053 [0,1,0,1,0,0|2,0,0]=4 16087 B14R1.168 CC(=O)OCCCCN1CCC[C@@H]1C 269982a_100020605311_100000033659 [0,1,0,1,0,0|2,0,0]=4 16088 B14R1.168 CC(=O)OCCCCN1CCC[C@H]1C 269982a_100015189458_100000033659 [0,1,0,1,0,0|2,0,0]=4 16089 B14R1.168 CC(=O)OCCCCN1CCC[C@H]1C 34a_100015189458_100000033659 [0,1,0,1,0,0|2,0,0]=4 16090 B14R1.168 CC(=O)OCCCOC1CCCC1C 34a_100011216460_100000042594 [0,1,0,1,0,0|2,0,0]=4 16091 B14R1.168 CC(=O)OCCCOC1CCCC1C 7a_100011216460_100000042594 [0,1,0,1,0,0|2,0,0]=4 16092 B14R1.168 CC(=O)SCCCCN1CCC[C@@H]1C 2230a_100020605311_200010402107 [0,1,0,1,0,0|2,0,0]=4 16093 B14R1.168 CC(=O)SCCCCN1CCC[C@@H]1C 269982a_100020605311_200010402107 [0,1,0,1,0,0|2,0,0]=4 16094 B14R1.168 CC(=O)SCCCCN1CCC[C@H]1C 2230a_100015189458_200010402107 [0,1,0,1,0,0|2,0,0]=4 16095 B14R1.168 CC(=O)SCCCCN1CCC[C@H]1C 269982a_100015189458_200010402107 [0,1,0,1,0,0|2,0,0]=4 16096 B14R1.168 CC(=O)SCCCCN1CCC[C@H]1C 34a_100015189458_200010402107 [0,1,0,1,0,0|2,0,0]=4 16097 B14R1.168 CC(=O)SCCCOC1CCCC1C 34a_100011216460_100000038929 [0,1,0,1,0,0|2,0,0]=4 16098 B14R1.168 CC(=O)SCCCOC1CCCC1C 7a_100011216460_100000038929 [0,1,0,1,0,0|2,0,0]=4 16099 B14R1.168 CC1CCCC1NCCCCC(=O)N 269862a_100000696515_100000752053 [0,1,0,1,0,0|1,0,0]=3 16100 B14R1.168 CC1CCCC1OCCCCB(O)O 34a_100011216460_200009817182 [0,1,0,1,0,0|1,0,1]=4 16101 B14R1.168 CC1CCCC1OCCCCB(O)O 7a_100011216460_200009817182 [0,1,0,1,0,0|1,0,1]=4 16102 B14R1.168 CC1CCCC1OCCOCC(=O)N 34a_100011216460_100000076697 [0,1,0,1,0,0|2,0,0]=4 16103 B14R1.168 CC1CCCC1OCCOCC(=O)N 7a_100011216460_100000076697 [0,1,0,1,0,0|2,0,0]=4 16104 B14R1.168 CC1OCCC1NCCCCC(=O)N 270004a_100000696515_100000691750 [0,1,0,1,0,0|2,0,0]=4 16105 B14R1.168 CC1SCCN1CCCCCC(=O)N 2230a_200011216479_100009817443 [0,1,0,1,0,0|2,0,0]=4 16106 B14R1.168 CC1SCCN1CCCCCC(=O)N 269982a_200011216479_100009817443 [0,1,0,1,0,0|2,0,0]=4 16107 B14R1.168 CC1SCCN1CCCCCC(=O)N 34a_200011216479_100009817443 [0,1,0,1,0,0|2,0,0]=4 16108 B14R1.168 CN1CCCC1CCNOCC(=O)O 269956a_100000106656_100000005710 [0,1,0,1,0,0|2,0,0]=4 16109 B14R1.168 CN1CCCC1CCOCCC(=O)N 34a_100000757172_100000005710 [0,1,0,1,0,0|2,0,0]=4 16110 B14R1.168 CN1CCCC1CCOCCC(=O)N 34a_100011215177_100000731001 [0,1,0,1,0,0|2,0,0]=4 16111 B14R1.168 CN1CCCC1CCOCCC(=O)N 7a_100000757172_100000005710 [0,1,0,1,0,0|2,0,0]=4 16112 B14R1.168 CN1CCCC1CCOCCC(=O)N 7a_100011215177_100000744528 [0,1,0,1,0,0|2,0,0]=4 16113 B14R1.168 CN1CCCC1CCSCCC(=O)N 62a_100000005710_100000744528 [0,1,0,1,0,0|2,0,0]=4 16114 B14R1.168 CN1CCCC1CCSCCC(=O)N 62a_100000744528_100000005710 [0,1,0,1,0,0|2,0,0]=4 16115 B14R1.168 CN1CCCC1COCCCC(=O)N 34a_100000743107_100102525003 [0,1,0,1,0,0|2,0,0]=4 16116 B14R1.168 C[C@@H]1CCCN1CCCCCB(O)O 2230a_100015189458_200009817188 [0,1,0,1,0,0|1,0,1]=4 16117 B14R1.168 C[C@@H]1CCCN1CCCCCB(O)O 269982a_100015189458_200009817188 [0,1,0,1,0,0|1,0,1]=4 16118 B14R1.168 C[C@@H]1CCCN1CCCCCB(O)O 34a_100015189458_200009817188 [0,1,0,1,0,0|1,0,1]=4 16119 B14R1.168 C[C@@H]1CCCN1CCCCCC(=O)N 2230a_100015189458_100009817443 [0,1,0,1,0,0|1,0,0]=3 16120 B14R1.168 C[C@@H]1CCCN1CCCCCC(=O)N 269982a_100015189458_100009817443 [0,1,0,1,0,0|1,0,0]=3 16121 B14R1.168 C[C@@H]1CCCN1CCCCCC(=O)N 34a_100015189458_100009817443 [0,1,0,1,0,0|1,0,0]=3 16122 B14R1.168 C[C@H]1CCCN1CCCCCB(O)O 2230a_100020605311_200009817188 [0,1,0,1,0,0|1,0,1]=4 16123 B14R1.168 C[C@H]1CCCN1CCCCCB(O)O 269982a_100020605311_200009817188 [0,1,0,1,0,0|1,0,1]=4 16124 B14R1.168 C[C@H]1CCCN1CCCCCC(=O)N 2230a_100020605311_100009817443 [0,1,0,1,0,0|1,0,0]=3 16125 B14R1.168 C[C@H]1CCCN1CCCCCC(=O)N 269982a_100020605311_100009817443 [0,1,0,1,0,0|1,0,0]=3 16126 B14R1.168 O=C(O)COCCN[C@@H]1CCC[C@H]1O 269956a_100000700818_200016002552 [0,1,0,1,0,0|2,0,0]=4 16127 B14R1.221 CCCCCCCCCNCC1CO1 2230a_100000212291_100011216344 [0,1,0,1,0,0|1,0,1]=4 16128 B14R1.221 CCCCCCCCCNCC1CO1 34a_100000212291_102125554688 [0,1,0,1,0,0|1,0,1]=4 16129 B14R1.221 CCCCCCCCCOCC1CO1 34a_100000210712_102125554688 [0,1,0,1,0,0|1,0,1]=4 16130 B14R1.221 CCCCCCCCCOCC1CO1 7a_100000210712_102125554688 [0,1,0,1,0,0|1,0,1]=4 16131 B14R1.221 CCCCCCCCCOC[C@@H]1CO1 34a_100000757423_100011214924 [0,1,0,1,0,0|1,0,1]=4 16132 B14R1.221 CCCCCCCCCOC[C@@H]1CO1 7a_100000210712_100000745022 [0,1,0,1,0,0|1,0,1]=4 16133 B14R1.221 CCCCCCCCCSCC1CO1 62a_102125554688_100000210670 [0,1,0,1,0,0|1,0,1]=4 16134 B14R1.221 CCCCCCCCCSC[C@@H]1CO1 62a_100000745022_100000210670 [0,1,0,1,0,0|1,0,1]=4 16135 B14R1.221 CCCCCCCCNCCC1CO1 2230a_100000229939_100000732470 [0,1,0,1,0,0|1,0,1]=4 16136 B14R1.221 CCCCCCCCNCCC1CO1 34a_100000229939_100000732470 [0,1,0,1,0,0|1,0,1]=4 16137 B14R1.221 CCCCCCCCOCCC1CO1 34a_100000210232_100000732470 [0,1,0,1,0,0|1,0,1]=4 16138 B14R1.221 CCCCCCCCOCCC1CO1 7a_100000210232_100000732470 [0,1,0,1,0,0|1,0,1]=4 16139 B14R1.221 CCCCCCCCOCC[C@@H]1CO1 34a_100009820653_100000210759 [0,1,0,1,0,0|1,0,1]=4 16140 B14R1.221 CCCCCCCCSCCC1CO1 62a_100000210759_100000732470 [0,1,0,1,0,0|1,0,1]=4 16141 B14R1.221 CCCCCCCCSCCC1CO1 62a_100000732470_100000210317 [0,1,0,1,0,0|1,0,1]=4 16142 B14R1.221 CCCCCCCNCCCC1CO1 2230a_100000229938_100000733510 [0,1,0,1,0,0|1,0,1]=4 16143 B14R1.221 CCCCCCCOCCCC1CO1 34a_100000210272_100000733510 [0,1,0,1,0,0|1,0,1]=4 16144 B14R1.221 CCCCCCCOCCCC1CO1 7a_100000210272_100000733510 [0,1,0,1,0,0|1,0,1]=4 16145 B14R1.221 CCCCCCCSCCCC1CO1 62a_100000210614_100000733510 [0,1,0,1,0,0|1,0,1]=4 16146 B14R1.221 CCCCCCCSCCCC1CO1 62a_100000733510_100000210316 [0,1,0,1,0,0|1,0,1]=4 16147 B14R1.233 C#CCCCCN1CCC[C@H]1C(=O)O 269956a_100000743916_100010269958 [0,1,0,1,0,0|0,0,2]=4 16148 B14R1.233 C=CCCCCN1CCC[C@H]1C(=O)O 269956a_100000743916_100011215482 [0,1,0,1,0,0|0,0,2]=4 16149 B14R1.233 CC/C=C\CCN1CCC[C@H]1C(=O)O 269956a_100000743916_100015370543 [0,1,0,1,0,0|0,0,2]=4 16150 B14R1.233 CCCCCCN1CC=C[C@H]1C(=O)O 269956a_100000057196_100000210757 [0,1,0,1,0,0|0,0,2]=4 16151 B14R1.233 CCCCCCN1CCC[C@H]1C(=O)N 2230a_100000003125_100000210314 [0,1,0,1,0,0|1,0,0]=3 16152 B14R1.233 CCCCCCN1CCC[C@H]1C(=O)O 269956a_100000743916_100000210757 [0,1,0,1,0,0|0,0,0]=2 16153 B14R1.233 CCCCCCN1CCSC1C(=O)O 269956a_100000035718_100000210757 [0,1,0,1,0,0|1,0,0]=3 16154 B14R1.233 CCCCCCN1CSC[C@H]1C(=O)O 269956a_100000743924_100000210757 [0,1,0,1,0,0|1,0,0]=3 16155 B14R1.233 CCCCOCN1CCC[C@H]1C(=O)N 2230a_100000003125_100011995733 [0,1,0,1,0,0|2,0,0]=4 16156 B14R1.233 CCCCOCN1CCC[C@H]1C(=O)O 269956a_100000743916_100011995733 [0,1,0,1,0,0|1,0,0]=3 16157 B14R1.233 CCCCOCN1CCSC1C(=O)O 269956a_100000035718_100011995733 [0,1,0,1,0,0|2,0,0]=4 16158 B14R1.233 CCCCOCN1CSC[C@H]1C(=O)O 269956a_100000743924_100011995733 [0,1,0,1,0,0|2,0,0]=4 16159 B14R1.233 CCCCOC[C@@H]1CCCN1C(=O)N 34a_100012022907_100000210210 [0,1,0,1,0,0|2,0,0]=4 16160 B14R1.233 CCCCOC[C@@H]1CCCN1C(=O)N 7a_100012022907_100000210211 [0,1,0,1,0,0|2,0,0]=4 16161 B14R1.233 CCCCOC[C@H]1CCCN1C(=O)C 34a_100012242843_100000210210 [0,1,0,1,0,0|2,0,0]=4 16162 B14R1.233 CCCCOC[C@H]1CCCN1C(=O)C 7a_100012242843_100000210211 [0,1,0,1,0,0|2,0,0]=4 16163 B14R1.233 CCCOCCN1CCC[C@H]1C(=O)N 2230a_100000003125_100011215938 [0,1,0,1,0,0|2,0,0]=4 16164 B14R1.233 CCCOCCN1CCC[C@H]1C(=O)O 269956a_100000743916_100011215938 [0,1,0,1,0,0|1,0,0]=3 16165 B14R1.233 CCCOCCN1CCSC1C(=O)O 269956a_100000035718_100011215938 [0,1,0,1,0,0|2,0,0]=4 16166 B14R1.233 CCCOCCN1CSC[C@H]1C(=O)O 269956a_100000743924_100011215938 [0,1,0,1,0,0|2,0,0]=4 16167 B14R1.233 CCOCCCN1CCC[C@H]1C(=O)N 2230a_100000003125_100012232248 [0,1,0,1,0,0|2,0,0]=4 16168 B14R1.233 CCOCCCN1CCC[C@H]1C(=O)O 269956a_100000743916_100012232248 [0,1,0,1,0,0|1,0,0]=3 16169 B14R1.233 CCOCCCN1CCSC1C(=O)O 269956a_100000035718_100012232248 [0,1,0,1,0,0|2,0,0]=4 16170 B14R1.233 CCOCCCN1CSC[C@H]1C(=O)O 269956a_100000743924_100012232248 [0,1,0,1,0,0|2,0,0]=4 16171 B14R1.233 COCCCCN1CCC[C@H]1C(=O)N 2230a_100000003125_100000730899 [0,1,0,1,0,0|2,0,0]=4 16172 B14R1.233 COCCCCN1CCC[C@H]1C(=O)O 269956a_100000743916_100000730899 [0,1,0,1,0,0|1,0,0]=3 16173 B14R1.233 COCCCCN1CCSC1C(=O)O 269956a_100000035718_100000730899 [0,1,0,1,0,0|2,0,0]=4 16174 B14R1.233 COCCCCN1CSC[C@H]1C(=O)O 269956a_100000743924_100000730899 [0,1,0,1,0,0|2,0,0]=4 16175 B14R1.233 COCCOCN1CCC[C@H]1C(=O)O 269956a_100000743916_100000231047 [0,1,0,1,0,0|2,0,0]=4 16176 B14R1.233 N#CCCCCN1CCC[C@H]1C(=O)O 269956a_100000743916_100011219923 [0,1,0,1,0,0|1,0,1]=4 16177 B14R1.233 NC(=O)[C@@H]1CCCN1CCCCCF 2230a_100000003125_100000729378 [0,1,0,1,0,0|2,0,0]=4 16178 B14R1.233 NC(=O)[C@@H]1CCCN1CCCCCO 2230a_100000003125_100000746330 [0,1,0,1,0,0|2,0,0]=4 16179 B14R1.233 O=C(O)C1SCCN1CCCCCF 269956a_100000035718_100000729378 [0,1,0,1,0,0|2,0,0]=4 16180 B14R1.233 O=C(O)C1SCCN1CCCCCO 269956a_100000035718_100000746330 [0,1,0,1,0,0|2,0,0]=4 16181 B14R1.233 O=C(O)[C@@H]1CCCN1CCCCCF 269956a_100000743916_100000729378 [0,1,0,1,0,0|1,0,0]=3 16182 B14R1.233 O=C(O)[C@@H]1CCCN1CCCCCO 269956a_100000743916_100000746330 [0,1,0,1,0,0|1,0,0]=3 16183 B14R1.233 O=C(O)[C@@H]1CCCN1CCOCCO 269956a_100000743916_100011215305 [0,1,0,1,0,0|2,0,0]=4 16184 B14R1.233 O=C(O)[C@@H]1CSCN1CCCCCF 269956a_100000743924_100000729378 [0,1,0,1,0,0|2,0,0]=4 16185 B14R1.233 O=C(O)[C@@H]1CSCN1CCCCCO 269956a_100000743924_100000746330 [0,1,0,1,0,0|2,0,0]=4 16186 B14R1.233 O=CCCCCN1CCC[C@H]1C(=O)O 269956a_100000743916_100000139335 [0,1,0,1,0,0|1,0,1]=4 16187 B14R1.241 CC(=O)OCCCCOCC1CC1C 34a_100000744939_100000033659 [0,1,0,1,0,0|2,0,0]=4 16188 B14R1.241 CC(=O)OCCCCOCC1CC1C 7a_100000744939_100000033659 [0,1,0,1,0,0|2,0,0]=4 16189 B14R1.241 CC(=O)SCCCCOCC1CC1C 34a_100000744939_200010402107 [0,1,0,1,0,0|2,0,0]=4 16190 B14R1.241 CC(=O)SCCCCOCC1CC1C 7a_100000744939_200010402107 [0,1,0,1,0,0|2,0,0]=4 16191 B14R1.241 CC1CC1COCCCCCB(O)O 34a_100000744939_200009817188 [0,1,0,1,0,0|1,0,1]=4 16192 B14R1.241 CC1CC1COCCCCCB(O)O 7a_100000744939_200009817188 [0,1,0,1,0,0|1,0,1]=4 16193 B14R1.241 CC1CC1COCCCCCC(=O)N 34a_100000744939_100009817443 [0,1,0,1,0,0|1,0,0]=3 16194 B14R1.241 CC1CC1COCCCCCC(=O)N 7a_100000744939_100009817443 [0,1,0,1,0,0|1,0,0]=3 16195 B14R1.258 COCC1CCN1CCCCC(=O)C 269982a_100015195929_100000735457 [0,1,0,1,0,0|2,0,0]=4 16196 B14R1.258 COCC1CCN1CCCCC(=O)C 34a_100015195929_100009817362 [0,1,0,1,0,0|2,0,0]=4 16197 B14R1.325 CC(=O)OCCCCCN1CCC1C 269982a_100000755817_100000033007 [0,1,0,1,0,0|2,0,0]=4 16198 B14R1.325 CC(=O)OCCCCCN1CCC1C 34a_100000755817_100000033007 [0,1,0,1,0,0|2,0,0]=4 16199 B14R1.325 CC1CCN1CCCCCCB(O)O 269982a_100000755817_100009817187 [0,1,0,1,0,0|1,0,1]=4 16200 B14R1.325 CC1CCN1CCCCCCB(O)O 34a_100000755817_100009817187 [0,1,0,1,0,0|1,0,1]=4 16201 B14R1.422 C=C(Br)CCOCCC1CCCCC1 34a_100009813270_100011209188 [0,1,0,1,0,0|2,0,0]=4 16202 B14R1.422 C=C(C)CCNCCC1CCCCC1 2230a_100000738074_100000730704 [0,1,0,1,0,0|2,0,0]=4 16203 B14R1.422 C=C(C)CCNCCC1CCCCC1 34a_100000738074_100000730704 [0,1,0,1,0,0|2,0,0]=4 16204 B14R1.422 C=C(C)CCOCCC1CCCCC1 34a_100000764851_100011209188 [0,1,0,1,0,0|2,0,0]=4 16205 B14R1.422 C=C(C)CCOCCC1CCCCC1 34a_100011217863_100000730704 [0,1,0,1,0,0|2,0,0]=4 16206 B14R1.422 C=C(C)CCOCCC1CCCCC1 7a_100011217863_100000730704 [0,1,0,1,0,0|2,0,0]=4 16207 B14R1.422 C=C(C)CCSCCC1CCCCC1 62a_100000730704_100012355289 [0,1,0,1,0,0|2,0,0]=4 16208 B14R1.422 C=C(C)CCSCCC1CCCCC1 62a_100012355289_100000730704 [0,1,0,1,0,0|2,0,0]=4 16209 B14R1.422 C=C(C)CNCCCC1CCCCC1 2230a_100011211642_100000748629 [0,1,0,1,0,0|2,0,0]=4 16210 B14R1.422 C=C(C)CNCCCC1CCCCC1 34a_100011211642_100000748629 [0,1,0,1,0,0|2,0,0]=4 16211 B14R1.422 C=C(C)COCCCC1CCCCC1 34a_100000198086_100000748629 [0,1,0,1,0,0|2,0,0]=4 16212 B14R1.422 C=C(C)COCCCC1CCCCC1 34a_100000210245_100011713725 [0,1,0,1,0,0|2,0,0]=4 16213 B14R1.422 C=C(C)COCCCC1CCCCC1 7a_100000198086_100000748629 [0,1,0,1,0,0|2,0,0]=4 16214 B14R1.422 C=C(C)CSCCCC1CCCCC1 62a_100000748629_100011713725 [0,1,0,1,0,0|2,0,0]=4 16215 B14R1.422 C=C(C)CSCCCC1CCCCC1 62a_100011713725_100000211660 [0,1,0,1,0,0|2,0,0]=4 16216 B14R1.422 C=C(F)CNCCCC1CCCCC1 2230a_100011211642_100009893438 [0,1,0,1,0,0|2,0,0]=4 16217 B14R1.422 C=C(F)CNCCCC1CCCCC1 34a_100011211642_100009893438 [0,1,0,1,0,0|2,0,0]=4 16218 B14R1.422 C=C(F)COCCCC1CCCCC1 34a_100000198086_100009893438 [0,1,0,1,0,0|2,0,0]=4 16219 B14R1.422 C=C(F)COCCCC1CCCCC1 34a_200010262243_100011713725 [0,1,0,1,0,0|2,0,0]=4 16220 B14R1.422 C=C(F)COCCCC1CCCCC1 7a_100000198086_100000042424 [0,1,0,1,0,0|2,0,0]=4 16221 B14R1.422 C=C(F)CSCCCC1CCCCC1 62a_100000042424_100011713725 [0,1,0,1,0,0|2,0,0]=4 16222 B14R1.422 C=C(F)CSCCCC1CCCCC1 62a_100011713725_100000042424 [0,1,0,1,0,0|2,0,0]=4 16223 B14R1.422 CC(=O)CCCCCN1CCCCC1 1458a_100012051570_200000210301 [0,1,0,1,0,0|1,0,0]=3 16224 B14R1.422 CC(=O)CCCCCN1CCOCC1 1458a_100012051560_200000210301 [0,1,0,1,0,0|2,0,0]=4 16225 B14R1.422 CC(=O)CCCCNC1CCCCC1 34a_100000182618_100009817362 [0,1,0,1,0,0|1,0,0]=3 16226 B14R1.422 CC(=O)CCCCNC1CCCOC1 34a_100000719290_100009817362 [0,1,0,1,0,0|2,0,0]=4 16227 B14R1.422 CC(=O)CCCCNC1CCOCC1 34a_100000741149_100009817362 [0,1,0,1,0,0|2,0,0]=4 16228 B14R1.422 CC(=O)CCCCNC1CCSCC1 34a_100000748639_100009817362 [0,1,0,1,0,0|2,0,0]=4 16229 B14R1.422 CC(=O)CCCCOC1CCCCC1 34a_100000210231_100009817362 [0,1,0,1,0,0|1,0,0]=3 16230 B14R1.422 CC(=O)CCCCOC1CCCCC1 7a_100000210231_100000735457 [0,1,0,1,0,0|1,0,0]=3 16231 B14R1.422 CC(=O)CCCCOC1CCCCO1 1458a_100000070787_100000031530 [0,1,0,1,0,0|2,0,0]=4 16232 B14R1.422 CC(=O)CCCCOC1CCCCO1 34a_100000033831_100009817362 [0,1,0,1,0,0|2,0,0]=4 16233 B14R1.422 CC(=O)CCCCOC1CCCOC1 34a_100000754041_100009817362 [0,1,0,1,0,0|2,0,0]=4 16234 B14R1.422 CC(=O)CCCCOC1CCCSC1 7a_100015962668_100000735457 [0,1,0,1,0,0|2,0,0]=4 16235 B14R1.422 CC(=O)CCCCOC1CCOCC1 34a_100000744328_100009817362 [0,1,0,1,0,0|2,0,0]=4 16236 B14R1.422 CC(=O)CCCCOC1CCSCC1 34a_100000731022_100009817362 [0,1,0,1,0,0|2,0,0]=4 16237 B14R1.422 CC(=O)CCCCOC1CCSCC1 7a_100000731022_100000735457 [0,1,0,1,0,0|2,0,0]=4 16238 B14R1.422 CC(=O)CCCCSC1CCCCC1 62a_100000210327_100000735457 [0,1,0,1,0,0|1,0,0]=3 16239 B14R1.422 CC(=O)CCCCSC1CCCCC1 62a_100000735457_100000210327 [0,1,0,1,0,0|1,0,0]=3 16240 B14R1.422 CC(=O)CCCCSC1CCCOC1 62a_100000735457_100000693364 [0,1,0,1,0,0|2,0,0]=4 16241 B14R1.422 CC(=O)CCCCSC1CCOCC1 62a_100000735457_100011324220 [0,1,0,1,0,0|2,0,0]=4 16242 B14R1.422 CC(=O)CCCCSC1CCSCC1 62a_100000735457_100000069128 [0,1,0,1,0,0|2,0,0]=4 16243 B14R1.422 CC(=O)CCCNCC1CCCCC1 34a_100000210473_100000685027 [0,1,0,1,0,0|1,0,0]=3 16244 B14R1.422 CC(=O)CCCNCC1CCCCO1 34a_100000174945_100000685027 [0,1,0,1,0,0|2,0,0]=4 16245 B14R1.422 CC(=O)CCCNCC1CCCOC1 34a_100000720124_100000685027 [0,1,0,1,0,0|2,0,0]=4 16246 B14R1.422 CC(=O)CCCNCC1CCOCC1 34a_100000746373_100000685027 [0,1,0,1,0,0|2,0,0]=4 16247 B14R1.422 CC(=O)CCCNCC1CCSCC1 34a_100015188806_100000685027 [0,1,0,1,0,0|2,0,0]=4 16248 B14R1.422 CC(=O)CCCOCC1CCCCC1 34a_100000212181_100000685027 [0,1,0,1,0,0|1,0,0]=3 16249 B14R1.422 CC(=O)CCCOCC1CCCCC1 34a_100000759063_100000211423 [0,1,0,1,0,0|1,0,0]=3 16250 B14R1.422 CC(=O)CCCOCC1CCCCC1 7a_100000212181_100011215641 [0,1,0,1,0,0|1,0,0]=3 16251 B14R1.422 CC(=O)CCCOCC1CCCCC1 7a_100000759063_100000211423 [0,1,0,1,0,0|1,0,0]=3 16252 B14R1.422 CC(=O)CCCOCC1CCCCN1 34a_100000210821_100000685027 [0,1,0,1,0,0|2,0,0]=4 16253 B14R1.422 CC(=O)CCCOCC1CCCCO1 34a_100000211370_100000685027 [0,1,0,1,0,0|2,0,0]=4 16254 B14R1.422 CC(=O)CCCOCC1CCCCO1 34a_100000759063_100000211543 [0,1,0,1,0,0|2,0,0]=4 16255 B14R1.422 CC(=O)CCCOCC1CCCCO1 7a_100000211370_100011215641 [0,1,0,1,0,0|2,0,0]=4 16256 B14R1.422 CC(=O)CCCOCC1CCCCO1 7a_100000759063_100000211543 [0,1,0,1,0,0|2,0,0]=4 16257 B14R1.422 CC(=O)CCCOCC1CCCNC1 34a_100000211344_100000685027 [0,1,0,1,0,0|2,0,0]=4 16258 B14R1.422 CC(=O)CCCOCC1CCCOC1 34a_100000741520_100000685027 [0,1,0,1,0,0|2,0,0]=4 16259 B14R1.422 CC(=O)CCCOCC1CCCOC1 34a_100000759063_100000741521 [0,1,0,1,0,0|2,0,0]=4 16260 B14R1.422 CC(=O)CCCOCC1CCCOC1 7a_100000759063_100000741521 [0,1,0,1,0,0|2,0,0]=4 16261 B14R1.422 CC(=O)CCCOCC1CCNCC1 34a_100000738675_100000685027 [0,1,0,1,0,0|2,0,0]=4 16262 B14R1.422 CC(=O)CCCOCC1CCOCC1 34a_100000749013_100000685027 [0,1,0,1,0,0|2,0,0]=4 16263 B14R1.422 CC(=O)CCCOCC1CCOCC1 34a_100000759063_100000754603 [0,1,0,1,0,0|2,0,0]=4 16264 B14R1.422 CC(=O)CCCOCC1CCOCC1 7a_100000759063_100000754603 [0,1,0,1,0,0|2,0,0]=4 16265 B14R1.422 CC(=O)CCCOCC1CCSCC1 34a_100000070558_100000685027 [0,1,0,1,0,0|2,0,0]=4 16266 B14R1.422 CC(=O)CCCOCC1CCSCC1 7a_100000070558_100011215641 [0,1,0,1,0,0|2,0,0]=4 16267 B14R1.422 CC(=O)CCCSCC1CCCCC1 62a_100000211423_100011215641 [0,1,0,1,0,0|1,0,0]=3 16268 B14R1.422 CC(=O)CCCSCC1CCCCC1 62a_100011215641_100000211423 [0,1,0,1,0,0|1,0,0]=3 16269 B14R1.422 CC(=O)CCCSCC1CCCCO1 62a_100000211543_100011215641 [0,1,0,1,0,0|2,0,0]=4 16270 B14R1.422 CC(=O)CCCSCC1CCCCO1 62a_100011215641_100000211543 [0,1,0,1,0,0|2,0,0]=4 16271 B14R1.422 CC(=O)CCCSCC1CCCOC1 62a_100000741521_100011215641 [0,1,0,1,0,0|2,0,0]=4 16272 B14R1.422 CC(=O)CCCSCC1CCCOC1 62a_100011215641_100000741521 [0,1,0,1,0,0|2,0,0]=4 16273 B14R1.422 CC(=O)CCCSCC1CCOCC1 62a_100000754603_100011215641 [0,1,0,1,0,0|2,0,0]=4 16274 B14R1.422 CC(=O)CCCSCC1CCOCC1 62a_100011215641_100000749018 [0,1,0,1,0,0|2,0,0]=4 16275 B14R1.422 CC(=O)CCOCCC1CCCCC1 34a_100000759926_100011209188 [0,1,0,1,0,0|1,0,0]=3 16276 B14R1.422 CC(=O)CCOCCC1CCCCC1 7a_100000759926_100011273959 [0,1,0,1,0,0|1,0,0]=3 16277 B14R1.422 CC(=O)CCOCCC1CCCCC1 7a_100011217863_100000053229 [0,1,0,1,0,0|1,0,0]=3 16278 B14R1.422 CC(=O)CCOCCC1CCOCC1 34a_100000759926_100011934994 [0,1,0,1,0,0|2,0,0]=4 16279 B14R1.422 CC(=O)CCOCCC1CCOCC1 7a_100000759926_100011934994 [0,1,0,1,0,0|2,0,0]=4 16280 B14R1.422 CC(=O)CCOCCC1CCOCC1 7a_100011933979_100000053229 [0,1,0,1,0,0|2,0,0]=4 16281 B14R1.422 CC(=O)CCOCCN1CCCCC1 34a_100000759926_100000739454 [0,1,0,1,0,0|2,0,0]=4 16282 B14R1.422 CC(=O)CCOCCN1CCCCC1 7a_100000759926_100000739454 [0,1,0,1,0,0|2,0,0]=4 16283 B14R1.422 CC(=O)CCOCOC1CCCCC1 34a_100000759926_100011935260 [0,1,0,1,0,0|2,0,0]=4 16284 B14R1.422 CC(=O)CCOCOC1CCCCC1 7a_100000759926_100011935260 [0,1,0,1,0,0|2,0,0]=4 16285 B14R1.422 CC(=O)CCSCCC1CCCCC1 62a_100000053229_100012355289 [0,1,0,1,0,0|1,0,0]=3 16286 B14R1.422 CC(=O)CCSCCC1CCCCC1 62a_100012355289_100000053229 [0,1,0,1,0,0|1,0,0]=3 16287 B14R1.422 CC(=O)CCSCCC1CCOCC1 62a_100000053229_100011934994 [0,1,0,1,0,0|2,0,0]=4 16288 B14R1.422 CC(=O)CCSCCC1CCOCC1 62a_100011934994_100000053229 [0,1,0,1,0,0|2,0,0]=4 16289 B14R1.422 CC(=O)CCSCCN1CCCCC1 62a_100000053229_100000739454 [0,1,0,1,0,0|2,0,0]=4 16290 B14R1.422 CC(=O)CCSCCN1CCCCC1 62a_100000739454_100000053229 [0,1,0,1,0,0|2,0,0]=4 16291 B14R1.422 CC(=O)CCSCOC1CCCCC1 62a_100000053229_100011935260 [0,1,0,1,0,0|2,0,0]=4 16292 B14R1.422 CC(=O)CCSCOC1CCCCC1 62a_100011935260_100000053229 [0,1,0,1,0,0|2,0,0]=4 16293 B14R1.422 CC(=O)COCCCC1CCCCC1 34a_100000211253_100011713725 [0,1,0,1,0,0|1,0,0]=3 16294 B14R1.422 CC(=O)COCCCN1CCCCC1 34a_100000211253_100000690320 [0,1,0,1,0,0|2,0,0]=4 16295 B14R1.422 CC(=O)COCCOC1CCCCC1 34a_100000211253_100011211530 [0,1,0,1,0,0|2,0,0]=4 16296 B14R1.422 CC(=O)NCCCCN1CCCCC1 240690a_200011207366_100015343762 [0,1,0,1,0,0|2,0,0]=4 16297 B14R1.422 CC(=O)NCCCNC1CCCCC1 270004a_100000736810_100000210434 [0,1,0,1,0,0|2,0,0]=4 16298 B14R1.422 CC(=O)NCCCNC1CCCCC1 34a_100000736810_100000210327 [0,1,0,1,0,0|2,0,0]=4 16299 B14R1.422 CC(=O)NCCCOC1CCCCC1 11a_100000205933_100015343762 [0,1,0,1,0,0|2,0,0]=4 16300 B14R1.422 CC(=O)NCCCOC1CCCCC1 1626a_100000205933_100015343762 [0,1,0,1,0,0|2,0,0]=4 16301 B14R1.422 CC(=O)NCCCOC1CCCCC1 240690a_100000205933_100015343762 [0,1,0,1,0,0|2,0,0]=4 16302 B14R1.422 CC(=O)NCCCOC1CCCCC1 34a_100000752032_100000210327 [0,1,0,1,0,0|2,0,0]=4 16303 B14R1.422 CC(=O)NCCCOC1CCCCC1 527a_100000205933_100103153847 [0,1,0,1,0,0|2,0,0]=4 16304 B14R1.422 CC(=O)NCCNCC1CCCCC1 2230a_100000209853_100000211423 [0,1,0,1,0,0|2,0,0]=4 16305 B14R1.422 CC(=O)NCCNCC1CCCCC1 2230a_100000210473_100000189650 [0,1,0,1,0,0|2,0,0]=4 16306 B14R1.422 CC(=O)NCCNCC1CCCCC1 269862a_100000209853_100000211278 [0,1,0,1,0,0|2,0,0]=4 16307 B14R1.422 CC(=O)NCCOCC1CCCCC1 34a_100000158858_100000211423 [0,1,0,1,0,0|2,0,0]=4 16308 B14R1.422 CC(=O)NCCOCC1CCCCC1 7a_100000212181_100000189650 [0,1,0,1,0,0|2,0,0]=4 16309 B14R1.422 CC(=O)NCCSCC1CCCCC1 62a_100000189650_100000211423 [0,1,0,1,0,0|2,0,0]=4 16310 B14R1.422 CC(=O)NCCSCC1CCCCC1 62a_100000211423_100000189650 [0,1,0,1,0,0|2,0,0]=4 16311 B14R1.422 CC(=O)OCCCNC1CCCCC1 34a_100000182618_100000042594 [0,1,0,1,0,0|2,0,0]=4 16312 B14R1.422 CC(=O)OCCCOC1CCCCC1 34a_100000210231_100000042594 [0,1,0,1,0,0|2,0,0]=4 16313 B14R1.422 CC(=O)OCCCOC1CCCCC1 7a_100000210231_100000042594 [0,1,0,1,0,0|2,0,0]=4 16314 B14R1.422 CC(=O)OCCCSC1CCCCC1 62a_100000042594_100000210327 [0,1,0,1,0,0|2,0,0]=4 16315 B14R1.422 CC(=O)OCCCSC1CCCCC1 62a_100000210327_100000042594 [0,1,0,1,0,0|2,0,0]=4 16316 B14R1.422 CC(=O)OCCNCC1CCCCC1 34a_100000210473_100009814007 [0,1,0,1,0,0|2,0,0]=4 16317 B14R1.422 CC(=O)OCCOCC1CCCCC1 34a_100000212181_100009814007 [0,1,0,1,0,0|2,0,0]=4 16318 B14R1.422 CC(=O)OCCOCC1CCCCC1 7a_100000212181_100009814007 [0,1,0,1,0,0|2,0,0]=4 16319 B14R1.422 CC(=O)OCCSCC1CCCCC1 62a_100000211423_100009814007 [0,1,0,1,0,0|2,0,0]=4 16320 B14R1.422 CC(=O)OCCSCC1CCCCC1 62a_100009814007_100000211423 [0,1,0,1,0,0|2,0,0]=4 16321 B14R1.422 CC(=O)OCNCCC1CCCCC1 34a_100000738074_100009813279 [0,1,0,1,0,0|2,0,0]=4 16322 B14R1.422 CC(=O)OCOCCC1CCCCC1 34a_100011217863_100009813279 [0,1,0,1,0,0|2,0,0]=4 16323 B14R1.422 CC(=O)OCSCCC1CCCCC1 62a_100000076356_100012355289 [0,1,0,1,0,0|2,0,0]=4 16324 B14R1.422 CC(=O)OCSCCC1CCCCC1 62a_100012355289_100000076356 [0,1,0,1,0,0|2,0,0]=4 16325 B14R1.422 CC(=O)SCCCNC1CCCCC1 2230a_100000182618_100000038929 [0,1,0,1,0,0|2,0,0]=4 16326 B14R1.422 CC(=O)SCCCNC1CCCCC1 34a_100000182618_100000038929 [0,1,0,1,0,0|2,0,0]=4 16327 B14R1.422 CC(=O)SCCCOC1CCCCC1 34a_100000210231_100000038929 [0,1,0,1,0,0|2,0,0]=4 16328 B14R1.422 CC(=O)SCCCOC1CCCCC1 7a_100000210231_100000038929 [0,1,0,1,0,0|2,0,0]=4 16329 B14R1.422 CC(=O)SCCCSC1CCCCC1 62a_100000038929_100000210327 [0,1,0,1,0,0|2,0,0]=4 16330 B14R1.422 CC(=O)SCCCSC1CCCCC1 62a_100000210327_100000038929 [0,1,0,1,0,0|2,0,0]=4 16331 B14R1.422 CC(=O)SCCNCC1CCCCC1 269862a_100020647217_100000211278 [0,1,0,1,0,0|2,0,0]=4 16332 B14R1.422 CC(O)CCCNCC1CCCCC1 2230a_100000210473_200000718107 [0,1,0,1,0,0|1,0,1]=4 16333 B14R1.422 CC(O)CCCNCC1CCCCC1 34a_100000210473_200000718107 [0,1,0,1,0,0|1,0,1]=4 16334 B14R1.422 CC(O)CCCOCC1CCCCC1 34a_100000212181_200000718107 [0,1,0,1,0,0|1,0,1]=4 16335 B14R1.422 CC(O)CCCOCC1CCCCC1 7a_100000212181_200000718107 [0,1,0,1,0,0|1,0,1]=4 16336 B14R1.422 CC(O)CCCSCC1CCCCC1 62a_100000211423_200000718107 [0,1,0,1,0,0|1,0,1]=4 16337 B14R1.422 CC(O)CCCSCC1CCCCC1 62a_200000718107_100000211423 [0,1,0,1,0,0|1,0,1]=4 16338 B14R1.422 CC(O)CCNCCC1CCCCC1 2230a_100000738074_100012276601 [0,1,0,1,0,0|1,0,1]=4 16339 B14R1.422 CC(O)CCNCCC1CCCCC1 2230a_200000755665_100012355289 [0,1,0,1,0,0|1,0,1]=4 16340 B14R1.422 CC(O)CCNCCC1CCCCC1 270004a_200000755665_100011713444 [0,1,0,1,0,0|1,0,1]=4 16341 B14R1.422 CC(O)CCNCCC1CCCCC1 34a_100000738074_100012276601 [0,1,0,1,0,0|1,0,1]=4 16342 B14R1.422 CC(O)CCOCCC1CCCCC1 34a_100011217863_100012276601 [0,1,0,1,0,0|1,0,1]=4 16343 B14R1.422 CC(O)CCOCCC1CCCCC1 7a_100011217863_100012276601 [0,1,0,1,0,0|1,0,1]=4 16344 B14R1.422 CC(O)CCSCCC1CCCCC1 62a_100012276601_100012355289 [0,1,0,1,0,0|1,0,1]=4 16345 B14R1.422 CC(O)CCSCCC1CCCCC1 62a_100012355289_100012276601 [0,1,0,1,0,0|1,0,1]=4 16346 B14R1.422 CC(O)CNCCCC1CCCCC1 2230a_100000210904_100011713725 [0,1,0,1,0,0|1,0,1]=4 16347 B14R1.422 CC(O)CNCCCC1CCCCC1 2230a_100011211642_100011218427 [0,1,0,1,0,0|1,0,1]=4 16348 B14R1.422 CC(O)CNCCCC1CCCCC1 34a_100000210904_100011713725 [0,1,0,1,0,0|1,0,1]=4 16349 B14R1.422 CC(O)CNCCCC1CCCCC1 34a_100011211642_100011218427 [0,1,0,1,0,0|1,0,1]=4 16350 B14R1.422 CC(O)COCCCC1CCCCC1 34a_100000198086_100011218427 [0,1,0,1,0,0|1,0,1]=4 16351 B14R1.422 CC(O)COCCCC1CCCCC1 7a_100000198086_100011218427 [0,1,0,1,0,0|1,0,1]=4 16352 B14R1.422 CC(O)CSCCCC1CCCCC1 62a_100011218427_100011713725 [0,1,0,1,0,0|1,0,1]=4 16353 B14R1.422 CC(O)CSCCCC1CCCCC1 62a_100011713725_100011218427 [0,1,0,1,0,0|1,0,1]=4 16354 B14R1.422 CS(=O)CCCNCC1CCCCC1 2230a_200000753449_100000211423 [0,1,0,1,0,0|2,0,0]=4 16355 B14R1.422 C[C@@H](O)CNCCCC1CCCCC1 2230a_100011211642_100009817552 [0,1,0,1,0,0|1,0,1]=4 16356 B14R1.422 C[C@@H](O)CNCCCC1CCCCC1 34a_100011211642_100009817552 [0,1,0,1,0,0|1,0,1]=4 16357 B14R1.422 C[C@@H](O)COCCCC1CCCCC1 34a_100000198086_100009817552 [0,1,0,1,0,0|1,0,1]=4 16358 B14R1.422 C[C@@H](O)COCCCC1CCCCC1 7a_100000198086_100009817552 [0,1,0,1,0,0|1,0,1]=4 16359 B14R1.422 C[C@@H](O)CSCCCC1CCCCC1 62a_100009817552_100011713725 [0,1,0,1,0,0|1,0,1]=4 16360 B14R1.422 C[C@@H](O)CSCCCC1CCCCC1 62a_100011713725_100009817552 [0,1,0,1,0,0|1,0,1]=4 16361 B14R1.422 NC(=O)CCCCCN1CCCOC1 2230a_100000131196_100009817443 [0,1,0,1,0,0|2,0,0]=4 16362 B14R1.422 NC(=O)CCCCCN1CCCOC1 269982a_100000131196_100009817443 [0,1,0,1,0,0|2,0,0]=4 16363 B14R1.422 NC(=O)CCCCCN1CCCOC1 34a_100000131196_100009817443 [0,1,0,1,0,0|2,0,0]=4 16364 B14R1.422 NC(=O)CCCCCN1CCOCC1 2230a_100015191051_100009817443 [0,1,0,1,0,0|2,0,0]=4 16365 B14R1.422 NC(=O)CCCCCN1CCOCC1 269982a_100015191051_100009817443 [0,1,0,1,0,0|2,0,0]=4 16366 B14R1.422 NC(=O)CCCCCN1CCOCC1 34a_100015191051_100009817443 [0,1,0,1,0,0|2,0,0]=4 16367 B14R1.422 NC(=O)CCCCCN1CCSCC1 2230a_100000737611_100009817443 [0,1,0,1,0,0|2,0,0]=4 16368 B14R1.422 NC(=O)CCCCCN1CCSCC1 269982a_100000737611_100009817443 [0,1,0,1,0,0|2,0,0]=4 16369 B14R1.422 NC(=O)CCCCNC1CCCCC1 270004a_100000696515_100000210434 [0,1,0,1,0,0|1,0,0]=3 16370 B14R1.422 NC(=O)CCCCNC1CCCCC1 34a_100000696515_100000210327 [0,1,0,1,0,0|1,0,0]=3 16371 B14R1.422 NC(=O)CCCCNC1CCCOC1 270004a_100000696515_100000753404 [0,1,0,1,0,0|2,0,0]=4 16372 B14R1.422 NC(=O)CCCCNC1CCCOC1 34a_100000696515_100000693364 [0,1,0,1,0,0|2,0,0]=4 16373 B14R1.422 NC(=O)CCCCNC1CCCSC1 270004a_100000696515_100000057913 [0,1,0,1,0,0|2,0,0]=4 16374 B14R1.422 NC(=O)CCCCNC1CCNCC1 270004a_100000696515_100015192401 [0,1,0,1,0,0|2,0,0]=4 16375 B14R1.422 NC(=O)CCCCNC1CCOCC1 270004a_100000696515_100011217826 [0,1,0,1,0,0|2,0,0]=4 16376 B14R1.422 NC(=O)CCCCNC1CCSCC1 270004a_100000696515_100000203788 [0,1,0,1,0,0|2,0,0]=4 16377 B14R1.422 NC(=O)CCCCNC1CCSCC1 34a_100000696515_100000069128 [0,1,0,1,0,0|2,0,0]=4 16378 B14R1.422 NC(=O)CCCCOC1CCCCC1 34a_100012022536_100000210327 [0,1,0,1,0,0|1,0,0]=3 16379 B14R1.422 NC(=O)CCCCOC1CCCCC1 7a_100012022536_100000210327 [0,1,0,1,0,0|1,0,0]=3 16380 B14R1.422 NC(=O)CCCCOC1CCCOC1 34a_100012022536_100000693364 [0,1,0,1,0,0|2,0,0]=4 16381 B14R1.422 NC(=O)CCCCOC1CCCOC1 7a_100012022536_100000693364 [0,1,0,1,0,0|2,0,0]=4 16382 B14R1.422 NC(=O)CCCCOC1CCOCC1 7a_100012022536_100000686592 [0,1,0,1,0,0|2,0,0]=4 16383 B14R1.422 NC(=O)CCCCOC1CCSCC1 34a_100012022536_100000069128 [0,1,0,1,0,0|2,0,0]=4 16384 B14R1.422 NC(=O)CCCCOC1CCSCC1 7a_100012022536_100011500858 [0,1,0,1,0,0|2,0,0]=4 16385 B14R1.422 NC(=O)CCCNCC1CCCCC1 269862a_100000739312_100000211278 [0,1,0,1,0,0|1,0,0]=3 16386 B14R1.422 NC(=O)CCCNCC1CCCCC1 34a_100000210473_100102525003 [0,1,0,1,0,0|1,0,0]=3 16387 B14R1.422 NC(=O)CCCNCC1CCCCC1 34a_100000739312_100000211423 [0,1,0,1,0,0|1,0,0]=3 16388 B14R1.422 NC(=O)CCCNCC1CCCCO1 34a_100000174945_100102525003 [0,1,0,1,0,0|2,0,0]=4 16389 B14R1.422 NC(=O)CCCNCC1CCCCO1 34a_100000739312_100000211543 [0,1,0,1,0,0|2,0,0]=4 16390 B14R1.422 NC(=O)CCCNCC1CCCOC1 34a_100000720124_100102525003 [0,1,0,1,0,0|2,0,0]=4 16391 B14R1.422 NC(=O)CCCNCC1CCCOC1 34a_100000739312_100000741521 [0,1,0,1,0,0|2,0,0]=4 16392 B14R1.422 NC(=O)CCCNCC1CCOCC1 269862a_100000739312_100000749017 [0,1,0,1,0,0|2,0,0]=4 16393 B14R1.422 NC(=O)CCCNCC1CCOCC1 34a_100000739312_100000754603 [0,1,0,1,0,0|2,0,0]=4 16394 B14R1.422 NC(=O)CCCNCC1CCOCC1 34a_100000746373_100102525003 [0,1,0,1,0,0|2,0,0]=4 16395 B14R1.422 NC(=O)CCCNCC1CCSCC1 269862a_100000739312_100000067145 [0,1,0,1,0,0|2,0,0]=4 16396 B14R1.422 NC(=O)CCCNCC1CCSCC1 34a_100015188806_100102525003 [0,1,0,1,0,0|2,0,0]=4 16397 B14R1.422 NC(=O)CCCOCC1CCCCC1 34a_100000212181_100102525003 [0,1,0,1,0,0|1,0,0]=3 16398 B14R1.422 NC(=O)CCCOCC1CCCCC1 7a_100000212181_100102525003 [0,1,0,1,0,0|1,0,0]=3 16399 B14R1.422 NC(=O)CCCOCC1CCCCN1 34a_100000210821_100102525003 [0,1,0,1,0,0|2,0,0]=4 16400 B14R1.422 NC(=O)CCCOCC1CCCCO1 34a_100000211370_100102525003 [0,1,0,1,0,0|2,0,0]=4 16401 B14R1.422 NC(=O)CCCOCC1CCCCO1 7a_100000211370_100102525003 [0,1,0,1,0,0|2,0,0]=4 16402 B14R1.422 NC(=O)CCCOCC1CCCNC1 34a_100000211344_100102525003 [0,1,0,1,0,0|2,0,0]=4 16403 B14R1.422 NC(=O)CCCOCC1CCCOC1 34a_100000741520_100102525003 [0,1,0,1,0,0|2,0,0]=4 16404 B14R1.422 NC(=O)CCCOCC1CCNCC1 34a_100000738675_100102525003 [0,1,0,1,0,0|2,0,0]=4 16405 B14R1.422 NC(=O)CCCOCC1CCOCC1 34a_100000749013_100102525003 [0,1,0,1,0,0|2,0,0]=4 16406 B14R1.422 NC(=O)CCCOCC1CCSCC1 34a_100000070558_100102525003 [0,1,0,1,0,0|2,0,0]=4 16407 B14R1.422 NC(=O)CCCOCC1CCSCC1 7a_100000070558_100102525003 [0,1,0,1,0,0|2,0,0]=4 16408 B14R1.422 NC(=O)CCCSCC1CCCCC1 62a_100000211423_100102525003 [0,1,0,1,0,0|1,0,0]=3 16409 B14R1.422 NC(=O)CCCSCC1CCCCC1 62a_100102525003_100000211423 [0,1,0,1,0,0|1,0,0]=3 16410 B14R1.422 NC(=O)CCCSCC1CCCCO1 62a_100000211543_100102525003 [0,1,0,1,0,0|2,0,0]=4 16411 B14R1.422 NC(=O)CCCSCC1CCCCO1 62a_100102525003_100000211543 [0,1,0,1,0,0|2,0,0]=4 16412 B14R1.422 NC(=O)CCCSCC1CCCOC1 62a_100000741521_100102525003 [0,1,0,1,0,0|2,0,0]=4 16413 B14R1.422 NC(=O)CCCSCC1CCCOC1 62a_100102525003_100000741521 [0,1,0,1,0,0|2,0,0]=4 16414 B14R1.422 NC(=O)CCCSCC1CCOCC1 62a_100000754603_100102525003 [0,1,0,1,0,0|2,0,0]=4 16415 B14R1.422 NC(=O)CCCSCC1CCOCC1 62a_100102525003_100000749018 [0,1,0,1,0,0|2,0,0]=4 16416 B14R1.422 NC(=O)CCNCCC1CCCCC1 2230a_100000738074_100000744528 [0,1,0,1,0,0|1,0,0]=3 16417 B14R1.422 NC(=O)CCNCCC1CCCCC1 34a_100000738074_100000731001 [0,1,0,1,0,0|1,0,0]=3 16418 B14R1.422 NC(=O)CCNCCC1CCCCO1 2230a_100015183643_100000744528 [0,1,0,1,0,0|2,0,0]=4 16419 B14R1.422 NC(=O)CCNCCC1CCCCO1 34a_100015183643_100000731001 [0,1,0,1,0,0|2,0,0]=4 16420 B14R1.422 NC(=O)CCNCCC1CCOCC1 2230a_100000755988_100000744528 [0,1,0,1,0,0|2,0,0]=4 16421 B14R1.422 NC(=O)CCNCCC1CCOCC1 34a_100000755988_100000731001 [0,1,0,1,0,0|2,0,0]=4 16422 B14R1.422 NC(=O)CCOCCC1CCCCC1 34a_100000757172_100011209188 [0,1,0,1,0,0|1,0,0]=3 16423 B14R1.422 NC(=O)CCOCCC1CCCCC1 34a_100011217863_100000731001 [0,1,0,1,0,0|1,0,0]=3 16424 B14R1.422 NC(=O)CCOCCC1CCCCC1 7a_100000757172_100011273959 [0,1,0,1,0,0|1,0,0]=3 16425 B14R1.422 NC(=O)CCOCCC1CCCCC1 7a_100011217863_100000744528 [0,1,0,1,0,0|1,0,0]=3 16426 B14R1.422 NC(=O)CCOCCC1CCCCN1 34a_100000211664_100000731001 [0,1,0,1,0,0|2,0,0]=4 16427 B14R1.422 NC(=O)CCOCCC1CCCNC1 34a_100000752241_100000731001 [0,1,0,1,0,0|2,0,0]=4 16428 B14R1.422 NC(=O)CCOCCC1CCNCC1 34a_100015190746_100000731001 [0,1,0,1,0,0|2,0,0]=4 16429 B14R1.422 NC(=O)CCOCCC1CCOCC1 34a_100000757172_100011934994 [0,1,0,1,0,0|2,0,0]=4 16430 B14R1.422 NC(=O)CCOCCC1CCOCC1 34a_100011933979_100000731001 [0,1,0,1,0,0|2,0,0]=4 16431 B14R1.422 NC(=O)CCOCCC1CCOCC1 7a_100000757172_100011934994 [0,1,0,1,0,0|2,0,0]=4 16432 B14R1.422 NC(=O)CCOCCC1CCOCC1 7a_100011933979_100000744528 [0,1,0,1,0,0|2,0,0]=4 16433 B14R1.422 NC(=O)CCOCCN1CCCCC1 34a_100000757172_100000739454 [0,1,0,1,0,0|2,0,0]=4 16434 B14R1.422 NC(=O)CCOCCN1CCCCC1 7a_100000757172_100000739454 [0,1,0,1,0,0|2,0,0]=4 16435 B14R1.422 NC(=O)CCOCOC1CCCCC1 34a_100000757172_100011935260 [0,1,0,1,0,0|2,0,0]=4 16436 B14R1.422 NC(=O)CCOCOC1CCCCC1 7a_100000757172_100011935260 [0,1,0,1,0,0|2,0,0]=4 16437 B14R1.422 NC(=O)CCSCCC1CCCCC1 62a_100000744528_100012355289 [0,1,0,1,0,0|1,0,0]=3 16438 B14R1.422 NC(=O)CCSCCC1CCCCC1 62a_100012355289_100000744528 [0,1,0,1,0,0|1,0,0]=3 16439 B14R1.422 NC(=O)CCSCCC1CCOCC1 62a_100000744528_100011934994 [0,1,0,1,0,0|2,0,0]=4 16440 B14R1.422 NC(=O)CCSCCC1CCOCC1 62a_100011934994_100000744528 [0,1,0,1,0,0|2,0,0]=4 16441 B14R1.422 NC(=O)CCSCCN1CCCCC1 62a_100000739454_100000744528 [0,1,0,1,0,0|2,0,0]=4 16442 B14R1.422 NC(=O)CCSCCN1CCCCC1 62a_100000744528_100000739454 [0,1,0,1,0,0|2,0,0]=4 16443 B14R1.422 NC(=O)CCSCOC1CCCCC1 62a_100000744528_100011935260 [0,1,0,1,0,0|2,0,0]=4 16444 B14R1.422 NC(=O)CCSCOC1CCCCC1 62a_100011935260_100000744528 [0,1,0,1,0,0|2,0,0]=4 16445 B14R1.422 NC(=O)CNCCCC1CCCCC1 2230a_100000711301_100011713725 [0,1,0,1,0,0|1,0,0]=3 16446 B14R1.422 NC(=O)CNCCCC1CCCCC1 2230a_100011211642_100000747473 [0,1,0,1,0,0|1,0,0]=3 16447 B14R1.422 NC(=O)CNCCCC1CCCCC1 34a_100011211642_100000187820 [0,1,0,1,0,0|1,0,0]=3 16448 B14R1.422 NC(=O)CNCCCN1CCCCC1 2230a_100000711301_100000690320 [0,1,0,1,0,0|2,0,0]=4 16449 B14R1.422 NC(=O)CNCCOC1CCCCC1 2230a_100000711301_100011211530 [0,1,0,1,0,0|2,0,0]=4 16450 B14R1.422 NC(=O)CNCCOC1CCCCC1 34a_100015206981_100000187820 [0,1,0,1,0,0|2,0,0]=4 16451 B14R1.422 NC(=O)COCCCC1CCCCC1 34a_100000198086_100000187820 [0,1,0,1,0,0|1,0,0]=3 16452 B14R1.422 NC(=O)COCCCC1CCCCC1 7a_100000198086_100000187820 [0,1,0,1,0,0|1,0,0]=3 16453 B14R1.422 NC(=O)COCCCC1CCCCN1 34a_100011934581_100000187820 [0,1,0,1,0,0|2,0,0]=4 16454 B14R1.422 NC(=O)COCCCC1CCCNC1 34a_100150707839_100000187820 [0,1,0,1,0,0|2,0,0]=4 16455 B14R1.422 NC(=O)COCCCC1CCNCC1 34a_100016988962_100000187820 [0,1,0,1,0,0|2,0,0]=4 16456 B14R1.422 NC(=O)COCCCN1CCCCC1 34a_100000212458_100000187820 [0,1,0,1,0,0|2,0,0]=4 16457 B14R1.422 NC(=O)COCCNC1CCCCC1 2230a_100000182618_100000076697 [0,1,0,1,0,0|2,0,0]=4 16458 B14R1.422 NC(=O)COCCNC1CCCCC1 34a_100000182618_100000076697 [0,1,0,1,0,0|2,0,0]=4 16459 B14R1.422 NC(=O)COCCNC1CCCCC1 34a_100000200466_100000187820 [0,1,0,1,0,0|2,0,0]=4 16460 B14R1.422 NC(=O)COCCOC1CCCCC1 34a_100000210231_100000076697 [0,1,0,1,0,0|2,0,0]=4 16461 B14R1.422 NC(=O)COCCOC1CCCCC1 34a_100011249652_100000187820 [0,1,0,1,0,0|2,0,0]=4 16462 B14R1.422 NC(=O)COCCOC1CCCCC1 7a_100000210231_100000076697 [0,1,0,1,0,0|2,0,0]=4 16463 B14R1.422 NC(=O)COCCOC1CCCCC1 7a_100011249652_100000187820 [0,1,0,1,0,0|2,0,0]=4 16464 B14R1.422 NC(=O)COCCSC1CCCCC1 62a_100000076697_100000210327 [0,1,0,1,0,0|2,0,0]=4 16465 B14R1.422 NC(=O)COCCSC1CCCCC1 62a_100000210327_100000076697 [0,1,0,1,0,0|2,0,0]=4 16466 B14R1.422 NC(=O)CSCCCC1CCCCC1 62a_100000747473_100011713725 [0,1,0,1,0,0|1,0,0]=3 16467 B14R1.422 NC(=O)CSCCCC1CCCCC1 62a_100011713725_100000747473 [0,1,0,1,0,0|1,0,0]=3 16468 B14R1.422 NC(=O)CSCCCN1CCCCC1 62a_100000747473_100000007876 [0,1,0,1,0,0|2,0,0]=4 16469 B14R1.422 NC(=O)CSCCCN1CCCCC1 62a_100132302099_100000747473 [0,1,0,1,0,0|2,0,0]=4 16470 B14R1.422 NC(=O)CSCCOC1CCCCC1 62a_100000747473_100011211530 [0,1,0,1,0,0|2,0,0]=4 16471 B14R1.422 NC(=O)CSCCOC1CCCCC1 62a_100011211530_100000747473 [0,1,0,1,0,0|2,0,0]=4 16472 B14R1.422 NC(=O)NCCNCC1CCCCC1 2230a_100000210473_200000034859 [0,1,0,1,0,0|2,0,0]=4 16473 B14R1.422 NC(=O)NCCNCC1CCCCC1 269862a_100020590234_100000211278 [0,1,0,1,0,0|2,0,0]=4 16474 B14R1.422 NC(=O)NCCNCC1CCCCC1 34a_100020590234_100000211423 [0,1,0,1,0,0|2,0,0]=4 16475 B14R1.422 NC(=O)NCCOCC1CCCCC1 34a_100000181757_100000211423 [0,1,0,1,0,0|2,0,0]=4 16476 B14R1.422 NC(=O)NCCOCC1CCCCC1 7a_100000212181_200000034859 [0,1,0,1,0,0|2,0,0]=4 16477 B14R1.422 NC(=O)NCCSCC1CCCCC1 62a_100000211423_200000034859 [0,1,0,1,0,0|2,0,0]=4 16478 B14R1.422 NC(=O)NCCSCC1CCCCC1 62a_200000034859_100000211423 [0,1,0,1,0,0|2,0,0]=4 16479 B14R1.422 NC(=O)OCCNCC1CCCCC1 34a_100000210473_200011214921 [0,1,0,1,0,0|2,0,0]=4 16480 B14R1.422 NC(=O)OCCOCC1CCCCC1 34a_100000212181_200011214921 [0,1,0,1,0,0|2,0,0]=4 16481 B14R1.422 NC(=O)OCCOCC1CCCCC1 7a_100000212181_200011214921 [0,1,0,1,0,0|2,0,0]=4 16482 B14R1.422 NC(=O)OCCOCC1CCCCC1 7a_100000766696_100000211423 [0,1,0,1,0,0|2,0,0]=4 16483 B14R1.422 NC(=O)OCCSCC1CCCCC1 62a_100000211423_200011214921 [0,1,0,1,0,0|2,0,0]=4 16484 B14R1.422 NC(=O)OCCSCC1CCCCC1 62a_200011214921_100000211423 [0,1,0,1,0,0|2,0,0]=4 16485 B14R1.422 O=C(O)CNCCCC1CCCCC1 269956a_100016091260_100011713725 [0,1,0,1,0,0|0,0,0]=2 16486 B14R1.422 O=C(O)CNCCCN1CCCCC1 269956a_100016091260_100000007876 [0,1,0,1,0,0|1,0,0]=3 16487 B14R1.422 O=C(O)CNCCCN1CCOCC1 269956a_100016091260_100000760944 [0,1,0,1,0,0|2,0,0]=4 16488 B14R1.422 O=C(O)CNCCOC1CCCCC1 269956a_100016091260_100011211530 [0,1,0,1,0,0|1,0,0]=3 16489 B14R1.422 O=C(O)CNCCOC1CCCCO1 269956a_100016091260_100000744793 [0,1,0,1,0,0|2,0,0]=4 16490 B14R1.422 O=C(O)COCCNC1CCCCC1 269956a_100000700818_100000210327 [0,1,0,1,0,0|1,0,0]=3 16491 B14R1.422 O=C(O)COCCNC1CCCOC1 269956a_100000700818_100000693364 [0,1,0,1,0,0|2,0,0]=4 16492 B14R1.422 O=C(O)COCCNC1CCOCC1 269956a_100000700818_100011324220 [0,1,0,1,0,0|2,0,0]=4 16493 B14R1.422 O=C(O)COCCNC1CCSCC1 269956a_100000700818_100000069128 [0,1,0,1,0,0|2,0,0]=4 16494 B14R1.422 O=C(O)CONCCC1CCCCC1 269956a_100000106656_100011273959 [0,1,0,1,0,0|1,0,0]=3 16495 B14R1.422 O=C(O)CONCCC1CCOCC1 269956a_100000106656_100011934994 [0,1,0,1,0,0|2,0,0]=4 16496 B14R1.422 O=C(O)CONCCN1CCCCC1 269956a_100000106656_100000739454 [0,1,0,1,0,0|2,0,0]=4 16497 B14R1.422 O=C(O)CONCOC1CCCCC1 269956a_100000106656_100011935260 [0,1,0,1,0,0|2,0,0]=4 16498 B14R1.422 O=C([O-])CNCCCC1CCCCC1 34a_100011211642_100020667443 [0,1,0,1,0,0|0,0,1]=3 16499 B14R1.422 O=C([O-])CNCCOC1CCCCC1 34a_100015206981_100020667443 [0,1,0,1,0,0|1,0,1]=4 16500 B14R1.422 O=C([O-])COCCCC1CCCCC1 34a_100000198086_100020667443 [0,1,0,1,0,0|0,0,1]=3 16501 B14R1.422 O=C([O-])COCCCC1CCCCN1 34a_100011934581_100020667443 [0,1,0,1,0,0|1,0,1]=4 16502 B14R1.422 O=C([O-])COCCCC1CCCNC1 34a_100150707839_100020667443 [0,1,0,1,0,0|1,0,1]=4 16503 B14R1.422 O=C([O-])COCCCC1CCNCC1 34a_100016988962_100020667443 [0,1,0,1,0,0|1,0,1]=4 16504 B14R1.422 O=C([O-])COCCCN1CCCCC1 34a_100000212458_100020667443 [0,1,0,1,0,0|1,0,1]=4 16505 B14R1.422 O=C([O-])COCCNC1CCCCC1 34a_100000200466_100020667443 [0,1,0,1,0,0|1,0,1]=4 16506 B14R1.422 O=C([O-])COCCOC1CCCCC1 34a_100011249652_100020667443 [0,1,0,1,0,0|1,0,1]=4 16507 B14R1.422 O=C([O-])CSCCCC1CCCCC1 62a_100011713725_100020667443 [0,1,0,1,0,0|0,0,1]=3 16508 B14R1.422 O=C([O-])CSCCCC1CCCCC1 62a_100020667443_100011713725 [0,1,0,1,0,0|0,0,1]=3 16509 B14R1.422 O=C([O-])CSCCCN1CCCCC1 62a_100020667443_100000007876 [0,1,0,1,0,0|1,0,1]=4 16510 B14R1.422 O=C([O-])CSCCCN1CCCCC1 62a_100132302099_100020667443 [0,1,0,1,0,0|1,0,1]=4 16511 B14R1.422 O=C([O-])CSCCOC1CCCCC1 62a_100011211530_100020667443 [0,1,0,1,0,0|1,0,1]=4 16512 B14R1.422 O=C([O-])CSCCOC1CCCCC1 62a_100020667443_100011211530 [0,1,0,1,0,0|1,0,1]=4 16513 B14R1.422 O=[N+]([O-])CCCCOC1CCCCC1 34a_200015379883_100000210327 [0,1,0,1,0,0|1,0,1]=4 16514 B14R1.422 O=[N+]([O-])CCCCOC1CCCCC1 7a_200015379883_100000210327 [0,1,0,1,0,0|1,0,1]=4 16515 B14R1.422 O=[N+]([O-])CCCOCC1CCCCC1 34a_200000037920_100000211423 [0,1,0,1,0,0|1,0,1]=4 16516 B14R1.422 O=[N+]([O-])CNCCCC1CCCCC1 34a_100011211642_100000761209 [0,1,0,1,0,0|1,0,1]=4 16517 B14R1.422 O=[N+]([O-])COCCCC1CCCCC1 34a_100000198086_100000761209 [0,1,0,1,0,0|1,0,1]=4 16518 B14R1.422 O=[N+]([O-])CSCCCC1CCCCC1 62a_100011713725_100000761209 [0,1,0,1,0,0|1,0,1]=4 16519 B14R1.422 OB(O)CCCCNC1CCCCC1 2230a_100000182618_200009817182 [0,1,0,1,0,0|1,0,1]=4 16520 B14R1.422 OB(O)CCCCNC1CCCCC1 34a_100000182618_200009817182 [0,1,0,1,0,0|1,0,1]=4 16521 B14R1.422 OB(O)CCCCOC1CCCCC1 34a_100000210231_200009817182 [0,1,0,1,0,0|1,0,1]=4 16522 B14R1.422 OB(O)CCCCOC1CCCCC1 7a_100000210231_200009817182 [0,1,0,1,0,0|1,0,1]=4 16523 B14R1.422 OB(O)CCCCSC1CCCCC1 62a_100000210327_200009817182 [0,1,0,1,0,0|1,0,1]=4 16524 B14R1.422 OB(O)CCCCSC1CCCCC1 62a_200009817182_100000210327 [0,1,0,1,0,0|1,0,1]=4 16525 B14R1.422 [13CH3]C(=O)CCCCCN1CCCCC1 1458a_100012051570_200025704644 [0,1,0,1,0,0|1,0,0]=3 16526 B14R1.422 [13CH3]C(=O)CCCCCN1CCOCC1 1458a_100012051560_200025704644 [0,1,0,1,0,0|2,0,0]=4 16527 B14R1.427 C=C(Br)CCOCCCC1CCCC1 34a_100009813270_100011713738 [0,1,0,1,0,0|2,0,0]=4 16528 B14R1.427 C=C(C)CCNCCCC1CCCC1 2230a_100000736752_100000730704 [0,1,0,1,0,0|2,0,0]=4 16529 B14R1.427 C=C(C)CCNCCCC1CCCC1 34a_100000736752_100000730704 [0,1,0,1,0,0|2,0,0]=4 16530 B14R1.427 C=C(C)CCOCCCC1CCCC1 34a_100000764851_100011713738 [0,1,0,1,0,0|2,0,0]=4 16531 B14R1.427 C=C(C)CCOCCCC1CCCC1 34a_100011215328_100000730704 [0,1,0,1,0,0|2,0,0]=4 16532 B14R1.427 C=C(C)CCOCCCC1CCCC1 7a_100011215328_100000730704 [0,1,0,1,0,0|2,0,0]=4 16533 B14R1.427 C=C(C)CCSCCCC1CCCC1 62a_100000730704_100011713738 [0,1,0,1,0,0|2,0,0]=4 16534 B14R1.427 C=C(C)CCSCCCC1CCCC1 62a_100011713738_100000730704 [0,1,0,1,0,0|2,0,0]=4 16535 B14R1.427 CC(=O)CCCCNCC1CCCC1 34a_100000737975_100009817362 [0,1,0,1,0,0|1,0,0]=3 16536 B14R1.427 CC(=O)CCCCNCC1CCOC1 34a_100000737293_100009817362 [0,1,0,1,0,0|2,0,0]=4 16537 B14R1.427 CC(=O)CCCCNC[C@@H]1CCCO1 34a_100020590478_100009817362 [0,1,0,1,0,0|2,0,0]=4 16538 B14R1.427 CC(=O)CCCCOCC1CCCC1 34a_100000742336_100009817362 [0,1,0,1,0,0|1,0,0]=3 16539 B14R1.427 CC(=O)CCCCOCC1CCCC1 7a_100000742336_100000735457 [0,1,0,1,0,0|1,0,0]=3 16540 B14R1.427 CC(=O)CCCCOCC1CCCO1 34a_100000210270_100009817362 [0,1,0,1,0,0|2,0,0]=4 16541 B14R1.427 CC(=O)CCCCOCC1CCCO1 7a_100000210270_100000735457 [0,1,0,1,0,0|2,0,0]=4 16542 B14R1.427 CC(=O)CCCCOCC1CCNC1 34a_100000748654_100009817362 [0,1,0,1,0,0|2,0,0]=4 16543 B14R1.427 CC(=O)CCCCOCC1CCOC1 34a_100000740260_100009817362 [0,1,0,1,0,0|2,0,0]=4 16544 B14R1.427 CC(=O)CCCCOC[C@H]1CCCN1 34a_100000745186_100009817362 [0,1,0,1,0,0|2,0,0]=4 16545 B14R1.427 CC(=O)CCCCSCC1CCCC1 62a_100000735457_100000740388 [0,1,0,1,0,0|1,0,0]=3 16546 B14R1.427 CC(=O)CCCCSCC1CCCC1 62a_100000740388_100000735457 [0,1,0,1,0,0|1,0,0]=3 16547 B14R1.427 CC(=O)CCCCSCC1CCCO1 62a_100000203698_100000735457 [0,1,0,1,0,0|2,0,0]=4 16548 B14R1.427 CC(=O)CCCCSCC1CCCO1 62a_100000735457_100000203698 [0,1,0,1,0,0|2,0,0]=4 16549 B14R1.427 CC(=O)CCCCSCC1CCOC1 62a_100000702531_100000735457 [0,1,0,1,0,0|2,0,0]=4 16550 B14R1.427 CC(=O)CCCCSCC1CCOC1 62a_100000735457_100000702531 [0,1,0,1,0,0|2,0,0]=4 16551 B14R1.427 CC(=O)CCCNCCC1CCCC1 34a_100000739158_100000685027 [0,1,0,1,0,0|1,0,0]=3 16552 B14R1.427 CC(=O)CCCOCCC1CCCC1 34a_100000749090_100000685027 [0,1,0,1,0,0|1,0,0]=3 16553 B14R1.427 CC(=O)CCCOCCC1CCCC1 34a_100000759063_100000760354 [0,1,0,1,0,0|1,0,0]=3 16554 B14R1.427 CC(=O)CCCOCCC1CCCC1 7a_100000749090_100011215641 [0,1,0,1,0,0|1,0,0]=3 16555 B14R1.427 CC(=O)CCCOCCC1CCCC1 7a_100000759063_100000760354 [0,1,0,1,0,0|1,0,0]=3 16556 B14R1.427 CC(=O)CCCOCCC1CCNC1 34a_100016987287_100000685027 [0,1,0,1,0,0|2,0,0]=4 16557 B14R1.427 CC(=O)CCCOCCC1CCOC1 34a_100011879284_100000685027 [0,1,0,1,0,0|2,0,0]=4 16558 B14R1.427 CC(=O)CCCOCCN1CCCC1 7a_100000759063_100000004467 [0,1,0,1,0,0|2,0,0]=4 16559 B14R1.427 CC(=O)CCCSCCC1CCCC1 62a_100000760354_100011215641 [0,1,0,1,0,0|1,0,0]=3 16560 B14R1.427 CC(=O)CCCSCCC1CCCC1 62a_100011215641_100000760354 [0,1,0,1,0,0|1,0,0]=3 16561 B14R1.427 CC(=O)CCCSCCN1CCCC1 62a_100000700749_100011215641 [0,1,0,1,0,0|2,0,0]=4 16562 B14R1.427 CC(=O)CCCSCCN1CCCC1 62a_100011215641_100000004467 [0,1,0,1,0,0|2,0,0]=4 16563 B14R1.427 CC(=O)CCOCCCC1CCCC1 34a_100000759926_100011713738 [0,1,0,1,0,0|1,0,0]=3 16564 B14R1.427 CC(=O)CCOCCCC1CCCC1 7a_100000759926_100011713738 [0,1,0,1,0,0|1,0,0]=3 16565 B14R1.427 CC(=O)CCOCCCC1CCCC1 7a_100011215328_100000053229 [0,1,0,1,0,0|1,0,0]=3 16566 B14R1.427 CC(=O)CCOCCCN1CCCC1 34a_100000759926_100016991639 [0,1,0,1,0,0|2,0,0]=4 16567 B14R1.427 CC(=O)CCOCCCN1CCCC1 7a_100000759926_100011445909 [0,1,0,1,0,0|2,0,0]=4 16568 B14R1.427 CC(=O)CCOCCOC1CCCC1 7a_100000738311_100000053229 [0,1,0,1,0,0|2,0,0]=4 16569 B14R1.427 CC(=O)CCSCCCC1CCCC1 62a_100000053229_100011713738 [0,1,0,1,0,0|1,0,0]=3 16570 B14R1.427 CC(=O)CCSCCCC1CCCC1 62a_100011713738_100000053229 [0,1,0,1,0,0|1,0,0]=3 16571 B14R1.427 CC(=O)CCSCCCN1CCCC1 62a_100000053229_100011445909 [0,1,0,1,0,0|2,0,0]=4 16572 B14R1.427 CC(=O)CCSCCCN1CCCC1 62a_100016991639_100000053229 [0,1,0,1,0,0|2,0,0]=4 16573 B14R1.427 CC(=O)NCCCCCN1CCCC1 1626a_100011491779_100015343762 [0,1,0,1,0,0|2,0,0]=4 16574 B14R1.427 CC(=O)NCCCCCN1CCCC1 240690a_100011491779_100015343762 [0,1,0,1,0,0|2,0,0]=4 16575 B14R1.427 CC(=O)NCCCCNC1CCCC1 2230a_200011368371_100000179811 [0,1,0,1,0,0|2,0,0]=4 16576 B14R1.427 CC(=O)NCCCCNC1CCCC1 270004a_200011368371_100000210133 [0,1,0,1,0,0|2,0,0]=4 16577 B14R1.427 CC(=O)NCCCCNC1CCCC1 34a_200011368371_100000179811 [0,1,0,1,0,0|2,0,0]=4 16578 B14R1.427 CC(=O)NCCCNCC1CCCC1 269862a_100000736810_100000746403 [0,1,0,1,0,0|2,0,0]=4 16579 B14R1.427 CC(=O)NCCCNCC1CCCC1 34a_100000736810_100000740388 [0,1,0,1,0,0|2,0,0]=4 16580 B14R1.427 CC(=O)NCCCOCC1CCCC1 34a_100000752032_100000740388 [0,1,0,1,0,0|2,0,0]=4 16581 B14R1.427 CC(=O)NCCNCCC1CCCC1 2230a_100000209853_100000760354 [0,1,0,1,0,0|2,0,0]=4 16582 B14R1.427 CC(=O)NCCNCCC1CCCC1 2230a_100000739158_100000189650 [0,1,0,1,0,0|2,0,0]=4 16583 B14R1.427 CC(=O)NCCOCCC1CCCC1 34a_100000158858_100000760354 [0,1,0,1,0,0|2,0,0]=4 16584 B14R1.427 CC(=O)NCCOCCC1CCCC1 7a_100000749090_100000189650 [0,1,0,1,0,0|2,0,0]=4 16585 B14R1.427 CC(=O)NCCSCCC1CCCC1 62a_100000189650_100000760354 [0,1,0,1,0,0|2,0,0]=4 16586 B14R1.427 CC(=O)NCCSCCC1CCCC1 62a_100000760354_100000189650 [0,1,0,1,0,0|2,0,0]=4 16587 B14R1.427 CC(=O)OCCCCCN1CCCC1 2230a_100000188435_100009813381 [0,1,0,1,0,0|2,0,0]=4 16588 B14R1.427 CC(=O)OCCCCCN1CCCC1 269982a_100000188435_100000033007 [0,1,0,1,0,0|2,0,0]=4 16589 B14R1.427 CC(=O)OCCCCNC1CCCC1 34a_100000211070_100000033659 [0,1,0,1,0,0|2,0,0]=4 16590 B14R1.427 CC(=O)OCCCCOC1CCCC1 34a_100000073216_100000179811 [0,1,0,1,0,0|2,0,0]=4 16591 B14R1.427 CC(=O)OCCCCOC1CCCC1 34a_100000210269_100000033659 [0,1,0,1,0,0|2,0,0]=4 16592 B14R1.427 CC(=O)OCCCCOC1CCCC1 7a_100000073216_100000179811 [0,1,0,1,0,0|2,0,0]=4 16593 B14R1.427 CC(=O)OCCCCOC1CCCC1 7a_100000210269_100000033659 [0,1,0,1,0,0|2,0,0]=4 16594 B14R1.427 CC(=O)OCCCCSC1CCCC1 62a_100000033659_100000179811 [0,1,0,1,0,0|2,0,0]=4 16595 B14R1.427 CC(=O)OCCCCSC1CCCC1 62a_100011217020_100000033659 [0,1,0,1,0,0|2,0,0]=4 16596 B14R1.427 CC(=O)OCCCNCC1CCCC1 34a_100000737975_100000042594 [0,1,0,1,0,0|2,0,0]=4 16597 B14R1.427 CC(=O)OCCCOCC1CCCC1 34a_100000742336_100000042594 [0,1,0,1,0,0|2,0,0]=4 16598 B14R1.427 CC(=O)OCCCOCC1CCCC1 7a_100000742336_100000042594 [0,1,0,1,0,0|2,0,0]=4 16599 B14R1.427 CC(=O)OCCCSCC1CCCC1 62a_100000042594_100000740388 [0,1,0,1,0,0|2,0,0]=4 16600 B14R1.427 CC(=O)OCCCSCC1CCCC1 62a_100000740388_100000042594 [0,1,0,1,0,0|2,0,0]=4 16601 B14R1.427 CC(=O)OCCNCCC1CCCC1 34a_100000739158_100009814007 [0,1,0,1,0,0|2,0,0]=4 16602 B14R1.427 CC(=O)OCCOCCC1CCCC1 34a_100000749090_100009814007 [0,1,0,1,0,0|2,0,0]=4 16603 B14R1.427 CC(=O)OCCOCCC1CCCC1 7a_100000749090_100009814007 [0,1,0,1,0,0|2,0,0]=4 16604 B14R1.427 CC(=O)OCCSCCC1CCCC1 62a_100000760354_100009814007 [0,1,0,1,0,0|2,0,0]=4 16605 B14R1.427 CC(=O)OCCSCCC1CCCC1 62a_100009814007_100000760354 [0,1,0,1,0,0|2,0,0]=4 16606 B14R1.427 CC(=O)OCNCCCC1CCCC1 34a_100000736752_100009813279 [0,1,0,1,0,0|2,0,0]=4 16607 B14R1.427 CC(=O)OCOCCCC1CCCC1 34a_100011215328_100009813279 [0,1,0,1,0,0|2,0,0]=4 16608 B14R1.427 CC(=O)OCSCCCC1CCCC1 62a_100000076356_100011713738 [0,1,0,1,0,0|2,0,0]=4 16609 B14R1.427 CC(=O)OCSCCCC1CCCC1 62a_100011713738_100000076356 [0,1,0,1,0,0|2,0,0]=4 16610 B14R1.427 CC(=O)SCCCCNC1CCCC1 2230a_100000211070_200010402107 [0,1,0,1,0,0|2,0,0]=4 16611 B14R1.427 CC(=O)SCCCCNC1CCCC1 34a_100000211070_200010402107 [0,1,0,1,0,0|2,0,0]=4 16612 B14R1.427 CC(=O)SCCCCOC1CCCC1 34a_100000210269_200010402107 [0,1,0,1,0,0|2,0,0]=4 16613 B14R1.427 CC(=O)SCCCCOC1CCCC1 7a_100000210269_200010402107 [0,1,0,1,0,0|2,0,0]=4 16614 B14R1.427 CC(=O)SCCCCSC1CCCC1 62a_100011217020_200010402107 [0,1,0,1,0,0|2,0,0]=4 16615 B14R1.427 CC(=O)SCCCCSC1CCCC1 62a_200010402107_100000179811 [0,1,0,1,0,0|2,0,0]=4 16616 B14R1.427 CC(=O)SCCCNCC1CCCC1 2230a_100000737975_100000038929 [0,1,0,1,0,0|2,0,0]=4 16617 B14R1.427 CC(=O)SCCCNCC1CCCC1 34a_100000737975_100000038929 [0,1,0,1,0,0|2,0,0]=4 16618 B14R1.427 CC(=O)SCCCOCC1CCCC1 34a_100000742336_100000038929 [0,1,0,1,0,0|2,0,0]=4 16619 B14R1.427 CC(=O)SCCCOCC1CCCC1 7a_100000742336_100000038929 [0,1,0,1,0,0|2,0,0]=4 16620 B14R1.427 CC(=O)SCCCSCC1CCCC1 62a_100000038929_100000740388 [0,1,0,1,0,0|2,0,0]=4 16621 B14R1.427 CC(=O)SCCCSCC1CCCC1 62a_100000740388_100000038929 [0,1,0,1,0,0|2,0,0]=4 16622 B14R1.427 CC(O)CCCNCCC1CCCC1 2230a_100000739158_200000718107 [0,1,0,1,0,0|1,0,1]=4 16623 B14R1.427 CC(O)CCCNCCC1CCCC1 34a_100000739158_200000718107 [0,1,0,1,0,0|1,0,1]=4 16624 B14R1.427 CC(O)CCCOCCC1CCCC1 34a_100000749090_200000718107 [0,1,0,1,0,0|1,0,1]=4 16625 B14R1.427 CC(O)CCCOCCC1CCCC1 7a_100000749090_200000718107 [0,1,0,1,0,0|1,0,1]=4 16626 B14R1.427 CC(O)CCCSCCC1CCCC1 62a_100000760354_200000718107 [0,1,0,1,0,0|1,0,1]=4 16627 B14R1.427 CC(O)CCCSCCC1CCCC1 62a_200000718107_100000760354 [0,1,0,1,0,0|1,0,1]=4 16628 B14R1.427 CC(O)CCNCCCC1CCCC1 2230a_100000736752_100012276601 [0,1,0,1,0,0|1,0,1]=4 16629 B14R1.427 CC(O)CCNCCCC1CCCC1 2230a_200000755665_100011713738 [0,1,0,1,0,0|1,0,1]=4 16630 B14R1.427 CC(O)CCNCCCC1CCCC1 34a_100000736752_100012276601 [0,1,0,1,0,0|1,0,1]=4 16631 B14R1.427 CC(O)CCOCCCC1CCCC1 34a_100011215328_100012276601 [0,1,0,1,0,0|1,0,1]=4 16632 B14R1.427 CC(O)CCOCCCC1CCCC1 7a_100011215328_100012276601 [0,1,0,1,0,0|1,0,1]=4 16633 B14R1.427 CC(O)CCSCCCC1CCCC1 62a_100011713738_100012276601 [0,1,0,1,0,0|1,0,1]=4 16634 B14R1.427 CC(O)CCSCCCC1CCCC1 62a_100012276601_100011713738 [0,1,0,1,0,0|1,0,1]=4 16635 B14R1.427 CS(=O)CCCNCCC1CCCC1 2230a_200000753449_100000760354 [0,1,0,1,0,0|2,0,0]=4 16636 B14R1.427 NC(=O)CCCCCNC1CCCC1 2230a_100000211070_100009817443 [0,1,0,1,0,0|1,0,0]=3 16637 B14R1.427 NC(=O)CCCCCNC1CCCC1 34a_100000211070_100009817443 [0,1,0,1,0,0|1,0,0]=3 16638 B14R1.427 NC(=O)CCCCCN[C@@H]1CCOC1 2230a_200015188469_100009817443 [0,1,0,1,0,0|2,0,0]=4 16639 B14R1.427 NC(=O)CCCCCN[C@H]1CCOC1 2230a_100015188467_100009817443 [0,1,0,1,0,0|2,0,0]=4 16640 B14R1.427 NC(=O)CCCCCN[C@H]1CCOC1 34a_100015188467_100009817443 [0,1,0,1,0,0|2,0,0]=4 16641 B14R1.427 NC(=O)CCCCCOC1CCCC1 34a_100000123541_100000179811 [0,1,0,1,0,0|1,0,0]=3 16642 B14R1.427 NC(=O)CCCCCOC1CCCC1 34a_100000210269_100009817443 [0,1,0,1,0,0|1,0,0]=3 16643 B14R1.427 NC(=O)CCCCCOC1CCCC1 7a_100000123541_100000179811 [0,1,0,1,0,0|1,0,0]=3 16644 B14R1.427 NC(=O)CCCCCOC1CCCC1 7a_100000210269_100009817443 [0,1,0,1,0,0|1,0,0]=3 16645 B14R1.427 NC(=O)CCCCCOC1CCCO1 34a_100000085407_100009817443 [0,1,0,1,0,0|2,0,0]=4 16646 B14R1.427 NC(=O)CCCCCOC1CCOC1 34a_100000123541_100000690089 [0,1,0,1,0,0|2,0,0]=4 16647 B14R1.427 NC(=O)CCCCCOC1CCOC1 7a_100000123541_100000731011 [0,1,0,1,0,0|2,0,0]=4 16648 B14R1.427 NC(=O)CCCCCOC1CCSC1 7a_100011232664_100009817443 [0,1,0,1,0,0|2,0,0]=4 16649 B14R1.427 NC(=O)CCCCCO[C@H]1CCOC1 34a_100000717292_100009817443 [0,1,0,1,0,0|2,0,0]=4 16650 B14R1.427 NC(=O)CCCCCSC1CCCC1 62a_100009817443_100000179811 [0,1,0,1,0,0|1,0,0]=3 16651 B14R1.427 NC(=O)CCCCCSC1CCCC1 62a_100011217020_100009817443 [0,1,0,1,0,0|1,0,0]=3 16652 B14R1.427 NC(=O)CCCCCSC1CCOC1 62a_100009817443_100000690089 [0,1,0,1,0,0|2,0,0]=4 16653 B14R1.427 NC(=O)CCCCNCC1CCCC1 269862a_100000696515_100000746403 [0,1,0,1,0,0|1,0,0]=3 16654 B14R1.427 NC(=O)CCCCNCC1CCCC1 34a_100000696515_100000740388 [0,1,0,1,0,0|1,0,0]=3 16655 B14R1.427 NC(=O)CCCCNCC1CCOC1 34a_100000696515_100011261433 [0,1,0,1,0,0|2,0,0]=4 16656 B14R1.427 NC(=O)CCCCOCC1CCCC1 34a_100012022536_100000740388 [0,1,0,1,0,0|1,0,0]=3 16657 B14R1.427 NC(=O)CCCCOCC1CCCC1 7a_100012022536_100000740388 [0,1,0,1,0,0|1,0,0]=3 16658 B14R1.427 NC(=O)CCCCOCC1CCCO1 7a_100012022536_100000203698 [0,1,0,1,0,0|2,0,0]=4 16659 B14R1.427 NC(=O)CCCCOCC1CCOC1 34a_100012022536_100011261433 [0,1,0,1,0,0|2,0,0]=4 16660 B14R1.427 NC(=O)CCCCOCC1CCOC1 7a_100012022536_100000702531 [0,1,0,1,0,0|2,0,0]=4 16661 B14R1.427 NC(=O)CCCNCCC1CCCC1 34a_100000739158_100102525003 [0,1,0,1,0,0|1,0,0]=3 16662 B14R1.427 NC(=O)CCCNCCC1CCCC1 34a_100000739312_100000760354 [0,1,0,1,0,0|1,0,0]=3 16663 B14R1.427 NC(=O)CCCOCCC1CCCC1 34a_100000749090_100102525003 [0,1,0,1,0,0|1,0,0]=3 16664 B14R1.427 NC(=O)CCCOCCC1CCCC1 7a_100000749090_100102525003 [0,1,0,1,0,0|1,0,0]=3 16665 B14R1.427 NC(=O)CCCOCCC1CCNC1 34a_100016987287_100102525003 [0,1,0,1,0,0|2,0,0]=4 16666 B14R1.427 NC(=O)CCCOCCC1CCOC1 34a_100011879284_100102525003 [0,1,0,1,0,0|2,0,0]=4 16667 B14R1.427 NC(=O)CCCSCCC1CCCC1 62a_100000760354_100102525003 [0,1,0,1,0,0|1,0,0]=3 16668 B14R1.427 NC(=O)CCCSCCC1CCCC1 62a_100102525003_100000760354 [0,1,0,1,0,0|1,0,0]=3 16669 B14R1.427 NC(=O)CCCSCCN1CCCC1 62a_100000700749_100102525003 [0,1,0,1,0,0|2,0,0]=4 16670 B14R1.427 NC(=O)CCCSCCN1CCCC1 62a_100102525003_100000004467 [0,1,0,1,0,0|2,0,0]=4 16671 B14R1.427 NC(=O)CCNCCCC1CCCC1 2230a_100000736752_100000744528 [0,1,0,1,0,0|1,0,0]=3 16672 B14R1.427 NC(=O)CCNCCCC1CCCC1 34a_100000736752_100000731001 [0,1,0,1,0,0|1,0,0]=3 16673 B14R1.427 NC(=O)CCNCCOC1CCCC1 34a_100000741755_100000731001 [0,1,0,1,0,0|2,0,0]=4 16674 B14R1.427 NC(=O)CCOCCCC1CCCC1 34a_100000757172_100011713738 [0,1,0,1,0,0|1,0,0]=3 16675 B14R1.427 NC(=O)CCOCCCC1CCCC1 34a_100011215328_100000731001 [0,1,0,1,0,0|1,0,0]=3 16676 B14R1.427 NC(=O)CCOCCCC1CCCC1 7a_100000757172_100011713738 [0,1,0,1,0,0|1,0,0]=3 16677 B14R1.427 NC(=O)CCOCCCC1CCCC1 7a_100011215328_100000744528 [0,1,0,1,0,0|1,0,0]=3 16678 B14R1.427 NC(=O)CCOCCCN1CCCC1 34a_100000757172_100016991639 [0,1,0,1,0,0|2,0,0]=4 16679 B14R1.427 NC(=O)CCOCCCN1CCCC1 7a_100000757172_100011445909 [0,1,0,1,0,0|2,0,0]=4 16680 B14R1.427 NC(=O)CCOCCNC1CCCC1 34a_200000200444_100000731001 [0,1,0,1,0,0|2,0,0]=4 16681 B14R1.427 NC(=O)CCOCCOC1CCCC1 34a_100000738311_100000731001 [0,1,0,1,0,0|2,0,0]=4 16682 B14R1.427 NC(=O)CCOCCOC1CCCC1 7a_100000738311_100000744528 [0,1,0,1,0,0|2,0,0]=4 16683 B14R1.427 NC(=O)CCSCCCC1CCCC1 62a_100000744528_100011713738 [0,1,0,1,0,0|1,0,0]=3 16684 B14R1.427 NC(=O)CCSCCCC1CCCC1 62a_100011713738_100000744528 [0,1,0,1,0,0|1,0,0]=3 16685 B14R1.427 NC(=O)CCSCCCN1CCCC1 62a_100000744528_100011445909 [0,1,0,1,0,0|2,0,0]=4 16686 B14R1.427 NC(=O)CCSCCCN1CCCC1 62a_100016991639_100000744528 [0,1,0,1,0,0|2,0,0]=4 16687 B14R1.427 NC(=O)CNCCCOC1CCCC1 34a_100000747560_100000187820 [0,1,0,1,0,0|2,0,0]=4 16688 B14R1.427 NC(=O)COCCNCC1CCCC1 2230a_100000737975_100000076697 [0,1,0,1,0,0|2,0,0]=4 16689 B14R1.427 NC(=O)COCCNCC1CCCC1 34a_100000737975_100000076697 [0,1,0,1,0,0|2,0,0]=4 16690 B14R1.427 NC(=O)COCCOCC1CCCC1 34a_100000742336_100000076697 [0,1,0,1,0,0|2,0,0]=4 16691 B14R1.427 NC(=O)COCCOCC1CCCC1 7a_100000742336_100000076697 [0,1,0,1,0,0|2,0,0]=4 16692 B14R1.427 NC(=O)COCCSCC1CCCC1 62a_100000076697_100000740388 [0,1,0,1,0,0|2,0,0]=4 16693 B14R1.427 NC(=O)COCCSCC1CCCC1 62a_100000740388_100000076697 [0,1,0,1,0,0|2,0,0]=4 16694 B14R1.427 NC(=O)NCCNCCC1CCCC1 2230a_100000739158_200000034859 [0,1,0,1,0,0|2,0,0]=4 16695 B14R1.427 NC(=O)NCCNCCC1CCCC1 34a_100020590234_100000760354 [0,1,0,1,0,0|2,0,0]=4 16696 B14R1.427 NC(=O)NCCOCCC1CCCC1 34a_100000181757_100000760354 [0,1,0,1,0,0|2,0,0]=4 16697 B14R1.427 NC(=O)NCCOCCC1CCCC1 7a_100000749090_200000034859 [0,1,0,1,0,0|2,0,0]=4 16698 B14R1.427 NC(=O)NCCSCCC1CCCC1 62a_100000760354_200000034859 [0,1,0,1,0,0|2,0,0]=4 16699 B14R1.427 NC(=O)NCCSCCC1CCCC1 62a_200000034859_100000760354 [0,1,0,1,0,0|2,0,0]=4 16700 B14R1.427 NC(=O)OCCNCCC1CCCC1 34a_100000739158_200011214921 [0,1,0,1,0,0|2,0,0]=4 16701 B14R1.427 NC(=O)OCCOCCC1CCCC1 34a_100000749090_200011214921 [0,1,0,1,0,0|2,0,0]=4 16702 B14R1.427 NC(=O)OCCOCCC1CCCC1 7a_100000749090_200011214921 [0,1,0,1,0,0|2,0,0]=4 16703 B14R1.427 NC(=O)OCCOCCC1CCCC1 7a_100000766696_100000760354 [0,1,0,1,0,0|2,0,0]=4 16704 B14R1.427 NC(=O)OCCSCCC1CCCC1 62a_100000760354_200011214921 [0,1,0,1,0,0|2,0,0]=4 16705 B14R1.427 NC(=O)OCCSCCC1CCCC1 62a_200011214921_100000760354 [0,1,0,1,0,0|2,0,0]=4 16706 B14R1.427 O=C(O)CNCCCCC1OCCO1 269956a_100016091260_100000034956 [0,1,0,1,0,0|2,0,0]=4 16707 B14R1.427 O=C(O)COCCNCC1CCCC1 269956a_100000700818_100000740388 [0,1,0,1,0,0|1,0,0]=3 16708 B14R1.427 O=C(O)COCCNCC1CCCO1 269956a_100000700818_100000183445 [0,1,0,1,0,0|2,0,0]=4 16709 B14R1.427 O=C(O)COCCNCC1CCOC1 269956a_100000700818_100011261433 [0,1,0,1,0,0|2,0,0]=4 16710 B14R1.427 O=C(O)CONCCCC1CCCC1 269956a_100000106656_100011713738 [0,1,0,1,0,0|1,0,0]=3 16711 B14R1.427 O=C(O)CONCCCN1CCCC1 269956a_100000106656_100011445909 [0,1,0,1,0,0|2,0,0]=4 16712 B14R1.427 O=C([O-])CCCCCOC1CCCC1 7a_100102619762_100000179811 [0,1,0,1,0,0|0,0,1]=3 16713 B14R1.427 O=C([O-])CCCCCOC1CCOC1 7a_100102619762_100000731011 [0,1,0,1,0,0|1,0,1]=4 16714 B14R1.427 O=C([O-])CNCCCOC1CCCC1 34a_100000747560_100020667443 [0,1,0,1,0,0|1,0,1]=4 16715 B14R1.427 O=[N+]([O-])CCCCOCC1CCCC1 34a_200015379883_100000740388 [0,1,0,1,0,0|1,0,1]=4 16716 B14R1.427 O=[N+]([O-])CCCCOCC1CCCC1 7a_200015379883_100000740388 [0,1,0,1,0,0|1,0,1]=4 16717 B14R1.427 O=[N+]([O-])CCCOCCC1CCCC1 34a_200000037920_100000760354 [0,1,0,1,0,0|1,0,1]=4 16718 B14R1.427 OB(O)CCCCCCN1CCCC1 2230a_100000188435_100009817187 [0,1,0,1,0,0|1,0,1]=4 16719 B14R1.427 OB(O)CCCCCCN1CCCC1 269982a_100000188435_100009817187 [0,1,0,1,0,0|1,0,1]=4 16720 B14R1.427 OB(O)CCCCCNC1CCCC1 2230a_100000211070_200009817188 [0,1,0,1,0,0|1,0,1]=4 16721 B14R1.427 OB(O)CCCCCNC1CCCC1 34a_100000211070_200009817188 [0,1,0,1,0,0|1,0,1]=4 16722 B14R1.427 OB(O)CCCCCOC1CCCC1 34a_100000210269_200009817188 [0,1,0,1,0,0|1,0,1]=4 16723 B14R1.427 OB(O)CCCCCOC1CCCC1 7a_100000210269_200009817188 [0,1,0,1,0,0|1,0,1]=4 16724 B14R1.427 OB(O)CCCCCSC1CCCC1 62a_100011217020_200009817188 [0,1,0,1,0,0|1,0,1]=4 16725 B14R1.427 OB(O)CCCCCSC1CCCC1 62a_200009817188_100000179811 [0,1,0,1,0,0|1,0,1]=4 16726 B14R1.427 OB(O)CCCCNCC1CCCC1 2230a_100000737975_200009817182 [0,1,0,1,0,0|1,0,1]=4 16727 B14R1.427 OB(O)CCCCNCC1CCCC1 34a_100000737975_200009817182 [0,1,0,1,0,0|1,0,1]=4 16728 B14R1.427 OB(O)CCCCOCC1CCCC1 34a_100000742336_200009817182 [0,1,0,1,0,0|1,0,1]=4 16729 B14R1.427 OB(O)CCCCOCC1CCCC1 7a_100000742336_200009817182 [0,1,0,1,0,0|1,0,1]=4 16730 B14R1.427 OB(O)CCCCSCC1CCCC1 62a_100000740388_200009817182 [0,1,0,1,0,0|1,0,1]=4 16731 B14R1.427 OB(O)CCCCSCC1CCCC1 62a_200009817182_100000740388 [0,1,0,1,0,0|1,0,1]=4 16732 B14R1.482 C#CCN1CCCCC1CCC(=O)O 269956a_100000694054_100000184674 [0,1,0,1,0,0|0,0,2]=4 16733 B14R1.482 C=C(C)CCN1CCCCC1CCC 2230a_100000701414_100000730704 [0,1,0,1,0,0|2,0,0]=4 16734 B14R1.482 C=C(C)CCN1CCCCC1CCC 269982a_100000701414_100000730704 [0,1,0,1,0,0|2,0,0]=4 16735 B14R1.482 C=C(C)CCN1CCCCC1CCC 34a_100000701414_100000730704 [0,1,0,1,0,0|2,0,0]=4 16736 B14R1.482 C=C(C)COC1CCCCC1CCC 34a_100011217265_100000748629 [0,1,0,1,0,0|2,0,0]=4 16737 B14R1.482 C=C(C)COC1CCCCC1CCC 7a_100011217265_100000748629 [0,1,0,1,0,0|2,0,0]=4 16738 B14R1.482 C=C(F)COC1CCCCC1CCC 34a_100011217265_100009893438 [0,1,0,1,0,0|2,0,0]=4 16739 B14R1.482 C=C(F)COC1CCCCC1CCC 7a_100011217265_100000042424 [0,1,0,1,0,0|2,0,0]=4 16740 B14R1.482 C=CCN1CCCCC1CCC(=O)O 269956a_100000694054_100000210623 [0,1,0,1,0,0|0,0,2]=4 16741 B14R1.482 CC(=O)CCN1CCCCC1CCO 269982a_100000211664_100000053229 [0,1,0,1,0,0|2,0,0]=4 16742 B14R1.482 CCCC1CCCCC1NCC(C)O 269862a_100000210904_100011218038 [0,1,0,1,0,0|1,0,1]=4 16743 B14R1.482 CCCC1CCCCC1NCC(C)O 270004a_100000210904_100011218038 [0,1,0,1,0,0|1,0,1]=4 16744 B14R1.482 CCCC1CCCCC1OCC(=O)N 34a_100011217265_100000187820 [0,1,0,1,0,0|1,0,0]=3 16745 B14R1.482 CCCC1CCCCC1OCC(=O)N 7a_100011217265_100000187820 [0,1,0,1,0,0|1,0,0]=3 16746 B14R1.482 CCCC1CCCCC1OCC(=O)[O-] 34a_100011217265_100020667443 [0,1,0,1,0,0|0,0,1]=3 16747 B14R1.482 CCCC1CCCCC1OCC(C)O 34a_100011217265_100011218427 [0,1,0,1,0,0|1,0,1]=4 16748 B14R1.482 CCCC1CCCCC1OCC(C)O 7a_100011217265_100011218427 [0,1,0,1,0,0|1,0,1]=4 16749 B14R1.482 CCCC1CCCCC1OC[C@@H](C)O 34a_100011217265_100009817552 [0,1,0,1,0,0|1,0,1]=4 16750 B14R1.482 CCCC1CCCCC1OC[C@@H](C)O 7a_100011217265_100009817552 [0,1,0,1,0,0|1,0,1]=4 16751 B14R1.482 CCCC1CCCCC1OC[N+](=O)[O-] 34a_100011217265_100000761209 [0,1,0,1,0,0|1,0,1]=4 16752 B14R1.482 CCCC1CCCCN1CCC(=O)C 269982a_100000701414_100000053229 [0,1,0,1,0,0|1,0,0]=3 16753 B14R1.482 CCCC1CCCCN1CCC(=O)N 2230a_100000701414_100000744528 [0,1,0,1,0,0|1,0,0]=3 16754 B14R1.482 CCCC1CCCCN1CCC(=O)N 269982a_100000701414_100000744528 [0,1,0,1,0,0|1,0,0]=3 16755 B14R1.482 CCCC1CCCCN1CCC(=O)N 34a_100000701414_100000731001 [0,1,0,1,0,0|1,0,0]=3 16756 B14R1.482 CCCC1CCCCN1CCC(C)O 2230a_100000701414_100012276601 [0,1,0,1,0,0|1,0,1]=4 16757 B14R1.482 CCCC1CCCCN1CCC(C)O 269982a_100000701414_100012276601 [0,1,0,1,0,0|1,0,1]=4 16758 B14R1.482 CCCC1CCCCN1CCC(C)O 34a_100000701414_100012276601 [0,1,0,1,0,0|1,0,1]=4 16759 B14R1.482 CCCC1CCCCN1COC(=O)C 269982a_100000701414_100000076356 [0,1,0,1,0,0|2,0,0]=4 16760 B14R1.482 CCCC1CCCCN1COC(=O)C 34a_100000701414_100009813279 [0,1,0,1,0,0|2,0,0]=4 16761 B14R1.482 CCCC1COCCN1CCC(=O)C 269982a_102495339903_100000053229 [0,1,0,1,0,0|2,0,0]=4 16762 B14R1.482 CCCC1COCCN1CCC(=O)N 2230a_102495339903_100000744528 [0,1,0,1,0,0|2,0,0]=4 16763 B14R1.482 CCCC1COCCN1CCC(=O)N 269982a_102495339903_100000744528 [0,1,0,1,0,0|2,0,0]=4 16764 B14R1.482 CCCC1COCCN1CCC(=O)N 34a_102495339903_100000731001 [0,1,0,1,0,0|2,0,0]=4 16765 B14R1.482 CCCN1CCCCC1CCC(=O)O 269956a_100000694054_100000210207 [0,1,0,1,0,0|0,0,0]=2 16766 B14R1.482 COCC1CCCCN1CCC(=O)C 269982a_100015184032_100000053229 [0,1,0,1,0,0|2,0,0]=4 16767 B14R1.482 COCC1CCCCN1CCC(=O)N 2230a_100015184032_100000744528 [0,1,0,1,0,0|2,0,0]=4 16768 B14R1.482 COCC1CCCCN1CCC(=O)N 269982a_100015184032_100000744528 [0,1,0,1,0,0|2,0,0]=4 16769 B14R1.482 COCC1CCCCN1CCC(=O)N 34a_100015184032_100000731001 [0,1,0,1,0,0|2,0,0]=4 16770 B14R1.482 COCN1CCCCC1CCC(=O)O 269956a_100000694054_100000766300 [0,1,0,1,0,0|1,0,0]=3 16771 B14R1.482 CSCN1CCCCC1CCC(=O)O 269956a_100000694054_100011218213 [0,1,0,1,0,0|1,0,0]=3 16772 B14R1.482 N#CCN1CCCCC1CCC(=O)O 269956a_100000694054_100011215382 [0,1,0,1,0,0|1,0,1]=4 16773 B14R1.482 NC(=O)CCN1CCCCC1CCO 2230a_100000211664_100000744528 [0,1,0,1,0,0|2,0,0]=4 16774 B14R1.482 NC(=O)CCN1CCCCC1CCO 269982a_100000211664_100000744528 [0,1,0,1,0,0|2,0,0]=4 16775 B14R1.482 NC(=O)CCN1CCCCC1CCO 34a_100000211664_100000731001 [0,1,0,1,0,0|2,0,0]=4 16776 B14R1.482 O=C(O)CCC1CCCCN1CCF 269956a_100000694054_100011217306 [0,1,0,1,0,0|1,0,0]=3 16777 B14R1.482 O=C(O)CCC1CCCCN1CCO 269956a_100000694054_100000211926 [0,1,0,1,0,0|1,0,0]=3 16778 B14R1.482 O=CCN1CCCCC1CCC(=O)O 269956a_100000694054_200015260668 [0,1,0,1,0,0|1,0,1]=4 16779 B14R1.498 CCCC1CCCC1NCCC(=O)N 269862a_100000740010_100000723119 [0,1,0,1,0,0|1,0,0]=3 16780 B14R1.498 CCCC1CCCC1NCCC(C)O 269862a_200000755665_100000723119 [0,1,0,1,0,0|1,0,1]=4 16781 B14R1.498 CCCC1CCCC1NCCC(C)O 270004a_200000755665_100000723119 [0,1,0,1,0,0|1,0,1]=4 16782 B14R1.498 CCCN1CCCC1COCC(=O)N 34a_200000694710_100000187820 [0,1,0,1,0,0|2,0,0]=4 16783 B14R1.498 CCCN1CCCC1COCC(=O)N 7a_200000694710_100000187820 [0,1,0,1,0,0|2,0,0]=4 16784 B14R1.498 CCCN1CCCC1COCC(=O)[O-] 34a_200000694710_100020667443 [0,1,0,1,0,0|1,0,1]=4 16785 B14R1.498 COC[C@@H]1CCCN1CCCC(=O)C 269982a_100020646714_100011215641 [0,1,0,1,0,0|2,0,0]=4 16786 B14R1.498 COC[C@@H]1CCCN1CCCC(=O)C 34a_100020646714_100000685027 [0,1,0,1,0,0|2,0,0]=4 16787 B14R1.498 COC[C@@H]1CCCN1CCCC(=O)N 269982a_100020646714_100102525003 [0,1,0,1,0,0|2,0,0]=4 16788 B14R1.498 COC[C@@H]1CCCN1CCCC(=O)N 34a_100020646714_100102525003 [0,1,0,1,0,0|2,0,0]=4 16789 B14R1.651 C#CCCN1CCCCCC1C(=O)O 269956a_100000758484_100000688953 [0,1,0,1,0,0|0,0,2]=4 16790 B14R1.651 C/C=C/CN1CCCCCC1C(=O)O 269956a_100000758484_100102629194 [0,1,0,1,0,0|0,0,2]=4 16791 B14R1.651 C=CCCN1CCCCCC1C(=O)O 269956a_100000758484_100000754431 [0,1,0,1,0,0|0,0,2]=4 16792 B14R1.651 CC#CCN1CCCCCC1C(=O)O 269956a_100000758484_100000748600 [0,1,0,1,0,0|0,0,2]=4 16793 B14R1.651 CCCCN1CCCCCC1C(=O)O 269956a_100000758484_100000210211 [0,1,0,1,0,0|0,0,0]=2 16794 B14R1.651 CCOCN1CCCCCC1C(=O)O 269956a_100000758484_100000739092 [0,1,0,1,0,0|1,0,0]=3 16795 B14R1.651 COCCN1CCCCCC1C(=O)O 269956a_100000758484_100000233755 [0,1,0,1,0,0|1,0,0]=3 16796 B14R1.651 CSCCN1CCCCCC1C(=O)O 269956a_100000758484_100000212216 [0,1,0,1,0,0|1,0,0]=3 16797 B14R1.651 N#CCCN1CCCCCC1C(=O)O 269956a_100000758484_100011215226 [0,1,0,1,0,0|1,0,1]=4 16798 B14R1.651 O=C(O)C1CCCCCN1CCCF 269956a_100000758484_100011934791 [0,1,0,1,0,0|1,0,0]=3 16799 B14R1.651 O=C(O)C1CCCCCN1CCCO 269956a_100000758484_100011215043 [0,1,0,1,0,0|1,0,0]=3 16800 B14R1.767 C=C1CC(C1)CNCCCCCCC 2230a_100102567296_100000210681 [0,1,0,1,0,0|2,0,0]=4 16801 B14R1.767 C=C1CC(C1)CNCCCCCCC 34a_100102567296_100000210614 [0,1,0,1,0,0|2,0,0]=4 16802 B14R1.767 C=C1CC(C1)COCCCCCCC 34a_100011011225_100000210614 [0,1,0,1,0,0|2,0,0]=4 16803 B14R1.767 C=C1CC(C1)NCCCCCCCC 2230a_100132301982_100000210759 [0,1,0,1,0,0|2,0,0]=4 16804 B14R1.767 CCCCCCCCCN1CC(C1)O 269982a_100000749847_100000210670 [0,1,0,1,0,0|1,0,1]=4 16805 B14R1.767 CCCCCCCCN[C@H]1C[C@@H](C1)O 2230a_100020629032_100000210759 [0,1,0,1,0,0|1,0,1]=4 16806 B14R1.767 CCCCCCCCSC1CC(=O)C1 62a_100009894365_100000210317 [0,1,0,1,0,0|1,0,0]=3 16807 B14R1.767 CCCCCCCNCC1CC(=O)C1 2230a_100000229938_100009874392 [0,1,0,1,0,0|1,0,0]=3 16808 B14R1.767 CCCCCCCNCC1CC(C1)O 2230a_100016992100_100000210681 [0,1,0,1,0,0|1,0,1]=4 16809 B14R1.767 CCCCCCCOCC1CC(=O)C1 34a_100000101936_100000210614 [0,1,0,1,0,0|1,0,0]=3 16810 B14R1.767 CCCCCCCOCC1CC(=O)C1 7a_100000210272_100009874392 [0,1,0,1,0,0|1,0,0]=3 16811 B14R1.767 CCCCCCCSCC1CC(=O)C1 62a_100000210614_100009874392 [0,1,0,1,0,0|1,0,0]=3 16812 B14R1.767 CCCCCCCSCC1CC(=O)C1 62a_100009874392_100000210316 [0,1,0,1,0,0|1,0,0]=3 16813 B14R1.767 CCCCOCCOCC1CC(=O)C1 34a_100000101936_100000743108 [0,1,0,1,0,0|2,0,0]=4 16814 B14R1.767 CCCCOCCOCC1CC(=O)C1 7a_100000210238_100009874392 [0,1,0,1,0,0|2,0,0]=4 16815 B14R1.767 CCCCOCCSCC1CC(=O)C1 62a_100000743108_100009874392 [0,1,0,1,0,0|2,0,0]=4 16816 B14R1.767 CCCCOCCSCC1CC(=O)C1 62a_100009874392_100000743108 [0,1,0,1,0,0|2,0,0]=4 16817 B14R1.767 CCCCSCCNCC1CC(=O)C1 2230a_100025743550_100009874392 [0,1,0,1,0,0|2,0,0]=4 16818 B14R1.767 CCCCSCCOCC1CC(=O)C1 7a_200000230436_100009874392 [0,1,0,1,0,0|2,0,0]=4 16819 B14R1.767 CCCOCCCNCC1CC(=O)C1 2230a_100011217757_100009874392 [0,1,0,1,0,0|2,0,0]=4 16820 B14R1.767 COCCCCCCSC1CC(=O)C1 62a_100009894365_100011998445 [0,1,0,1,0,0|2,0,0]=4 16821 B14R1.767 COCCCCCNCC1CC(=O)C1 2230a_100000747528_100009874392 [0,1,0,1,0,0|2,0,0]=4 16822 B14R1.767 O=C1CC(C1)CNCCCCCCO 2230a_100000686447_100009874392 [0,1,0,1,0,0|2,0,0]=4 16823 B14R1.767 O=C1CC(C1)COCCCCCCBr 7a_100011215345_100009874392 [0,1,0,1,0,0|2,0,0]=4 16824 B14R1.767 O=C1CC(C1)COCCCCCCCl 7a_100000766143_100009874392 [0,1,0,1,0,0|2,0,0]=4 16825 B14R1.767 O=C1CC(C1)COCCCCCCF 34a_100000101936_100015922095 [0,1,0,1,0,0|2,0,0]=4 16826 B14R1.767 O=C1CC(C1)COCCCCCCF 7a_100000732779_100009874392 [0,1,0,1,0,0|2,0,0]=4 16827 B14R1.767 O=C1CC(C1)COCCCCCCO 34a_100000101936_100000766143 [0,1,0,1,0,0|2,0,0]=4 16828 B14R1.767 O=C1CC(C1)CSCCCCCCF 62a_100009874392_100015922095 [0,1,0,1,0,0|2,0,0]=4 16829 B14R1.767 O=C1CC(C1)CSCCCCCCF 62a_100015922095_100009874392 [0,1,0,1,0,0|2,0,0]=4 16830 B14R1.767 O=C1CC(C1)CSCCCCCCO 62a_100000766143_100009874392 [0,1,0,1,0,0|2,0,0]=4 16831 B14R1.767 O=C1CC(C1)CSCCCCCCO 62a_100009874392_100000766143 [0,1,0,1,0,0|2,0,0]=4 16832 B14R1.767 O=C1CC(C1)SCCCCCCCO 62a_100009894365_100000760002 [0,1,0,1,0,0|2,0,0]=4 16833 B14R1.786 CCCCN1CCCCC1CC(=O)N 2230a_100015184752_100000210211 [0,1,0,1,0,0|1,0,0]=3 16834 B14R1.786 CCCCN1CCCCC1CC(=O)N 269982a_100015184752_100000210211 [0,1,0,1,0,0|1,0,0]=3 16835 B14R1.786 CCCCN1CCCCC1CC(=O)N 34a_100015184752_100000210210 [0,1,0,1,0,0|1,0,0]=3 16836 B14R1.786 CCOCN1CCCCC1CC(=O)N 269982a_100015184752_100000739092 [0,1,0,1,0,0|2,0,0]=4 16837 B14R1.786 COCCC1CCCCN1CC(=O)N 2230a_100015186528_100000747473 [0,1,0,1,0,0|2,0,0]=4 16838 B14R1.786 COCCC1CCCCN1CC(=O)N 269982a_100015186528_100000187820 [0,1,0,1,0,0|2,0,0]=4 16839 B14R1.786 COCCC1CCCCN1CC(=O)N 34a_100015186528_100000187820 [0,1,0,1,0,0|2,0,0]=4 16840 B14R1.786 COCCC1CCCCN1CC(=O)[O-] 269982a_100015186528_100020667443 [0,1,0,1,0,0|1,0,1]=4 16841 B14R1.786 COCCC1CCCCN1CC(=O)[O-] 34a_100015186528_100020667443 [0,1,0,1,0,0|1,0,1]=4 16842 B14R1.786 COCCN1CCCCC1CC(=O)N 2230a_100015184752_100011201679 [0,1,0,1,0,0|2,0,0]=4 16843 B14R1.786 COCCN1CCCCC1CC(=O)N 269982a_100015184752_100000233755 [0,1,0,1,0,0|2,0,0]=4 16844 B14R1.786 COCCN1CCCCC1CC(=O)N 34a_100015184752_100011201679 [0,1,0,1,0,0|2,0,0]=4 16845 B14R1.786 CSCCN1CCCCC1CC(=O)N 2230a_100015184752_100000751147 [0,1,0,1,0,0|2,0,0]=4 16846 B14R1.786 CSCCN1CCCCC1CC(=O)N 269982a_100015184752_100000212216 [0,1,0,1,0,0|2,0,0]=4 16847 B14R1.786 CSCCN1CCCCC1CC(=O)N 34a_100015184752_100000212216 [0,1,0,1,0,0|2,0,0]=4 16848 B14R1.786 NC(=O)CC1CCCCN1CCCF 2230a_100015184752_100011934791 [0,1,0,1,0,0|2,0,0]=4 16849 B14R1.786 NC(=O)CC1CCCCN1CCCF 269982a_100015184752_100011934791 [0,1,0,1,0,0|2,0,0]=4 16850 B14R1.786 NC(=O)CC1CCCCN1CCCF 34a_100015184752_100011934791 [0,1,0,1,0,0|2,0,0]=4 16851 B14R1.786 NC(=O)CC1CCCCN1CCCO 2230a_100015184752_100000230001 [0,1,0,1,0,0|2,0,0]=4 16852 B14R1.786 NC(=O)CC1CCCCN1CCCO 269982a_100015184752_100011215043 [0,1,0,1,0,0|2,0,0]=4 16853 B14R1.786 NC(=O)CC1CCCCN1CCCO 34a_100015184752_100000230001 [0,1,0,1,0,0|2,0,0]=4 16854 B14R1.786 NC(=O)CN1CCCCC1CCCO 2230a_100011934581_100000747473 [0,1,0,1,0,0|2,0,0]=4 16855 B14R1.786 NC(=O)CN1CCCCC1CCCO 269982a_100011934581_100000187820 [0,1,0,1,0,0|2,0,0]=4 16856 B14R1.786 NC(=O)CN1CCCCC1CCCO 34a_100011934581_100000187820 [0,1,0,1,0,0|2,0,0]=4 16857 B14R1.786 O=C([O-])CN1CCCCC1CCCO 269982a_100011934581_100020667443 [0,1,0,1,0,0|1,0,1]=4 16858 B14R1.786 O=C([O-])CN1CCCCC1CCCO 34a_100011934581_100020667443 [0,1,0,1,0,0|1,0,1]=4 16859 B14R1.799 CCCCC1CCCC1NCC(C)O 269862a_100000210904_100000750825 [0,1,0,1,0,0|1,0,1]=4 16860 B14R1.799 CCCCC1CCCC1NCC(C)O 270004a_100000210904_100000750825 [0,1,0,1,0,0|1,0,1]=4 16861 B14R1.903 C#CCCCN1CCCC[C@@H]1C(=O)O 269956a_100000763471_100011215417 [0,1,0,1,0,0|0,0,2]=4 16862 B14R1.903 C#CCCN[C@@H]1CCCC[C@H]1C(=O)O 269956a_100009816435_100000688953 [0,1,0,1,0,0|0,0,2]=4 16863 B14R1.903 C/C=C/CN[C@@H]1CCCC[C@H]1C(=O)O 269956a_100009816435_100102629194 [0,1,0,1,0,0|0,0,2]=4 16864 B14R1.903 C=CCCCN1CCCC[C@@H]1C(=O)O 269956a_100000763471_100011713584 [0,1,0,1,0,0|0,0,2]=4 16865 B14R1.903 C=CCCN[C@@H]1CCCC[C@H]1C(=O)O 269956a_100009816435_100000754431 [0,1,0,1,0,0|0,0,2]=4 16866 B14R1.903 CC#CCN[C@@H]1CCCC[C@H]1C(=O)O 269956a_100009816435_100000748600 [0,1,0,1,0,0|0,0,2]=4 16867 B14R1.903 CC/C=C\CN1CCCC[C@@H]1C(=O)O 269956a_100000763471_100103147603 [0,1,0,1,0,0|0,0,2]=4 16868 B14R1.903 CCC#CCN1CCCC[C@@H]1C(=O)O 269956a_100000763471_100009813939 [0,1,0,1,0,0|0,0,2]=4 16869 B14R1.903 CCCCCN1CCCCC1C(=O)N 2230a_100000181395_100000210326 [0,1,0,1,0,0|1,0,0]=3 16870 B14R1.903 CCCCCN1CCCCC1C(=O)N 269982a_100000181395_100000210215 [0,1,0,1,0,0|1,0,0]=3 16871 B14R1.903 CCCCCN1CCCCC1C(=O)N 34a_100000181395_100000718602 [0,1,0,1,0,0|1,0,0]=3 16872 B14R1.903 CCCCCN1CCCC[C@@H]1C(=O)O 269956a_100000763471_100000210326 [0,1,0,1,0,0|0,0,0]=2 16873 B14R1.903 CCCCCN1CCOC[C@@H]1C(=O)O 269956a_100016993156_100000210326 [0,1,0,1,0,0|1,0,0]=3 16874 B14R1.903 CCCCCN1CCSCC1C(=O)O 269956a_100011346106_100000210326 [0,1,0,1,0,0|1,0,0]=3 16875 B14R1.903 CCCCCN1CSCCC1C(=O)O 269956a_100015185162_100000210326 [0,1,0,1,0,0|1,0,0]=3 16876 B14R1.903 CCCCN[C@@H]1CCCC[C@H]1C(=O)O 269956a_100009816435_100000210211 [0,1,0,1,0,0|0,0,0]=2 16877 B14R1.903 CCOCCN1CCCCC1C(=O)N 2230a_100000181395_100011215890 [0,1,0,1,0,0|2,0,0]=4 16878 B14R1.903 CCOCCN1CCCCC1C(=O)N 269982a_100000181395_100011215890 [0,1,0,1,0,0|2,0,0]=4 16879 B14R1.903 CCOCCN1CCCCC1C(=O)N 34a_100000181395_100000210147 [0,1,0,1,0,0|2,0,0]=4 16880 B14R1.903 CCOCCN1CCCC[C@@H]1C(=O)O 269956a_100000763471_100000210147 [0,1,0,1,0,0|1,0,0]=3 16881 B14R1.903 CCOCCN1CCOC[C@@H]1C(=O)O 269956a_100016993156_100000210147 [0,1,0,1,0,0|2,0,0]=4 16882 B14R1.903 CCOCCN1CCSCC1C(=O)O 269956a_100011346106_100000210147 [0,1,0,1,0,0|2,0,0]=4 16883 B14R1.903 CCOCCN1CSCCC1C(=O)O 269956a_100015185162_100000210147 [0,1,0,1,0,0|2,0,0]=4 16884 B14R1.903 CCOCN[C@@H]1CCCC[C@H]1C(=O)O 269956a_100009816435_100000739092 [0,1,0,1,0,0|1,0,0]=3 16885 B14R1.903 CCSCCN1CCCCC1C(=O)N 2230a_100000181395_100000757381 [0,1,0,1,0,0|2,0,0]=4 16886 B14R1.903 CCSCCN1CCCCC1C(=O)N 269982a_100000181395_100000757381 [0,1,0,1,0,0|2,0,0]=4 16887 B14R1.903 CCSCCN1CCCCC1C(=O)N 34a_100000181395_100000757381 [0,1,0,1,0,0|2,0,0]=4 16888 B14R1.903 CCSCCN1CCCC[C@@H]1C(=O)O 269956a_100000763471_100000757381 [0,1,0,1,0,0|1,0,0]=3 16889 B14R1.903 CCSCCN1CCOC[C@@H]1C(=O)O 269956a_100016993156_100000757381 [0,1,0,1,0,0|2,0,0]=4 16890 B14R1.903 CCSCCN1CCSCC1C(=O)O 269956a_100011346106_100000757381 [0,1,0,1,0,0|2,0,0]=4 16891 B14R1.903 CCSCCN1CSCCC1C(=O)O 269956a_100015185162_100000757381 [0,1,0,1,0,0|2,0,0]=4 16892 B14R1.903 COCCCC1CCCCN1C(=O)C 11a_100011804088_100015343762 [0,1,0,1,0,0|2,0,0]=4 16893 B14R1.903 COCCCC1CCCCN1C(=O)C 1626a_100011804088_100015343762 [0,1,0,1,0,0|2,0,0]=4 16894 B14R1.903 COCCCC1CCCCN1C(=O)C 240690a_100011804088_100015343762 [0,1,0,1,0,0|2,0,0]=4 16895 B14R1.903 COCCCC1CCCCN1C(=O)C 527a_100011804088_100103153847 [0,1,0,1,0,0|2,0,0]=4 16896 B14R1.903 COCCCN1CCCCC1C(=O)N 2230a_100000181395_100000740836 [0,1,0,1,0,0|2,0,0]=4 16897 B14R1.903 COCCCN1CCCCC1C(=O)N 269982a_100000181395_100000740836 [0,1,0,1,0,0|2,0,0]=4 16898 B14R1.903 COCCCN1CCCCC1C(=O)N 34a_100000181395_100000740836 [0,1,0,1,0,0|2,0,0]=4 16899 B14R1.903 COCCCN1CCCC[C@@H]1C(=O)O 269956a_100000763471_100000740836 [0,1,0,1,0,0|1,0,0]=3 16900 B14R1.903 COCCCN1CCOC[C@@H]1C(=O)O 269956a_100016993156_100000740836 [0,1,0,1,0,0|2,0,0]=4 16901 B14R1.903 COCCCN1CCSCC1C(=O)O 269956a_100011346106_100000740836 [0,1,0,1,0,0|2,0,0]=4 16902 B14R1.903 COCCCN1CSCCC1C(=O)O 269956a_100015185162_100000740836 [0,1,0,1,0,0|2,0,0]=4 16903 B14R1.903 COCCN[C@@H]1CCCC[C@H]1C(=O)O 269956a_100009816435_100000233755 [0,1,0,1,0,0|1,0,0]=3 16904 B14R1.903 CSCCN[C@@H]1CCCC[C@H]1C(=O)O 269956a_100009816435_100000212216 [0,1,0,1,0,0|1,0,0]=3 16905 B14R1.903 N#CCCCN1CCCC[C@@H]1C(=O)O 269956a_100000763471_100000687738 [0,1,0,1,0,0|1,0,1]=4 16906 B14R1.903 N#CCCN[C@@H]1CCCC[C@H]1C(=O)O 269956a_100009816435_100011215226 [0,1,0,1,0,0|1,0,1]=4 16907 B14R1.903 NC(=O)C1CCCCN1CCCCF 2230a_100000181395_100000729493 [0,1,0,1,0,0|2,0,0]=4 16908 B14R1.903 NC(=O)C1CCCCN1CCCCF 269982a_100000181395_100000729493 [0,1,0,1,0,0|2,0,0]=4 16909 B14R1.903 NC(=O)C1CCCCN1CCCCF 34a_100000181395_100000729493 [0,1,0,1,0,0|2,0,0]=4 16910 B14R1.903 NC(=O)C1CCCCN1CCCCO 2230a_100000181395_100000210776 [0,1,0,1,0,0|2,0,0]=4 16911 B14R1.903 NC(=O)C1CCCCN1CCCCO 269982a_100000181395_100000210776 [0,1,0,1,0,0|2,0,0]=4 16912 B14R1.903 NC(=O)C1CCCCN1CCCCO 34a_100000181395_100011216708 [0,1,0,1,0,0|2,0,0]=4 16913 B14R1.903 O=C(O)C1CCSCN1CCCCF 269956a_100015185162_100000729493 [0,1,0,1,0,0|2,0,0]=4 16914 B14R1.903 O=C(O)C1CCSCN1CCCCO 269956a_100015185162_100000210776 [0,1,0,1,0,0|2,0,0]=4 16915 B14R1.903 O=C(O)C1CSCCN1CCCCF 269956a_100011346106_100000729493 [0,1,0,1,0,0|2,0,0]=4 16916 B14R1.903 O=C(O)C1CSCCN1CCCCO 269956a_100011346106_100000210776 [0,1,0,1,0,0|2,0,0]=4 16917 B14R1.903 O=C(O)[C@@H]1CCCC[C@H]1NCCCF 269956a_100009816435_100011934791 [0,1,0,1,0,0|1,0,0]=3 16918 B14R1.903 O=C(O)[C@@H]1CCCC[C@H]1NCCCO 269956a_100009816435_100011215043 [0,1,0,1,0,0|1,0,0]=3 16919 B14R1.903 O=C(O)[C@H]1CCCCN1CCCCF 269956a_100000763471_100000729493 [0,1,0,1,0,0|1,0,0]=3 16920 B14R1.903 O=C(O)[C@H]1CCCCN1CCCCO 269956a_100000763471_100000210776 [0,1,0,1,0,0|1,0,0]=3 16921 B14R1.903 O=C(O)[C@H]1COCCN1CCCCF 269956a_100016993156_100000729493 [0,1,0,1,0,0|2,0,0]=4 16922 B14R1.903 O=C(O)[C@H]1COCCN1CCCCO 269956a_100016993156_100000210776 [0,1,0,1,0,0|2,0,0]=4 16923 B14R1.903 O=CCCCN1CCCC[C@@H]1C(=O)O 269956a_100000763471_200011292268 [0,1,0,1,0,0|1,0,1]=4 16924 B14R1.1252 CCCCCCN1CCCCC(C1)O 2230a_100025706797_100000210314 [0,1,0,1,0,0|1,0,1]=4 16925 B14R1.1252 CCCCCCN1CCCCC(C1)O 269982a_100025706797_100000210757 [0,1,0,1,0,0|1,0,1]=4 16926 B14R1.1252 CCCCCCN1CCCNC(=O)C1 2230a_100015190381_100000210314 [0,1,0,1,0,0|2,0,0]=4 16927 B14R1.3129 CCCCCCN[C@@H]1CCC[C@@]1(C)O 2230a_100015977457_100000210314 [0,1,0,1,0,0|1,0,1]=4 16928 B14R1.3129 CCCCCCN[C@@H]1CCC[C@@]1(C)O 34a_100015977457_100000210314 [0,1,0,1,0,0|1,0,1]=4 16929 B14R1.3447 C#CCCCCCN1CCC1C(=O)O 269956a_100000021838_100012094781 [0,1,0,1,0,0|0,0,2]=4 16930 B14R1.3447 C=CCCCCCN1CCC1C(=O)O 269956a_100000021838_100000700193 [0,1,0,1,0,0|0,0,2]=4 16931 B14R1.3447 CCCCCCCN1CCC1C(=O)O 269956a_100000021838_100000210614 [0,1,0,1,0,0|0,0,0]=2 16932 B14R1.3447 CCCCOCCN1CCC1C(=O)O 269956a_100000021838_100000743108 [0,1,0,1,0,0|1,0,0]=3 16933 B14R1.3447 COCCOCCN1CCC1C(=O)O 269956a_100000021838_100000695917 [0,1,0,1,0,0|2,0,0]=4 16934 B14R1.3447 N#CCCCCCN1CCC1C(=O)O 269956a_100000021838_100009813376 [0,1,0,1,0,0|1,0,1]=4 16935 B14R1.3447 O=C(O)C1CCN1CCCCCCF 269956a_100000021838_100015922095 [0,1,0,1,0,0|1,0,0]=3 16936 B14R1.3447 O=C(O)C1CCN1CCCCCCO 269956a_100000021838_100000766143 [0,1,0,1,0,0|1,0,0]=3 16937 B14R1.3447 O=CCCCCCN1CCC1C(=O)O 269956a_100000021838_100000139337 [0,1,0,1,0,0|1,0,1]=4 16938 B14R1.4521 CC(=O)CCCCOCCC1COC1 34a_100009855314_100009817362 [0,1,0,1,0,0|2,0,0]=4 16939 B14R1.4521 CC(=O)NCCCCCNC1CCC1 270004a_200012022750_100000241760 [0,1,0,1,0,0|2,0,0]=4 16940 B14R1.4521 CC(=O)NCCCCCNC1CCC1 34a_200012022750_100000749161 [0,1,0,1,0,0|2,0,0]=4 16941 B14R1.4521 CC(=O)NCCCCNCC1CCC1 2230a_200011368371_100000763275 [0,1,0,1,0,0|2,0,0]=4 16942 B14R1.4521 CC(=O)NCCCCNCC1CCC1 269862a_200011368371_100000753134 [0,1,0,1,0,0|2,0,0]=4 16943 B14R1.4521 CC(=O)NCCCCNCC1CCC1 34a_200011368371_100000763275 [0,1,0,1,0,0|2,0,0]=4 16944 B14R1.4521 CC(=O)OCCCCCNC1CCC1 2230a_100000749019_100009813381 [0,1,0,1,0,0|2,0,0]=4 16945 B14R1.4521 CC(=O)OCCCCCNC1CCC1 34a_100000749019_100000033007 [0,1,0,1,0,0|2,0,0]=4 16946 B14R1.4521 CC(=O)OCCCCCOC1CCC1 34a_100000748187_100000033007 [0,1,0,1,0,0|2,0,0]=4 16947 B14R1.4521 CC(=O)OCCCCCSC1CCC1 62a_100000033007_100000749161 [0,1,0,1,0,0|2,0,0]=4 16948 B14R1.4521 CC(=O)OCCCCNCC1CCC1 34a_100000738700_100000033659 [0,1,0,1,0,0|2,0,0]=4 16949 B14R1.4521 CC(=O)OCCCCOCC1CCC1 34a_100000073216_100000763275 [0,1,0,1,0,0|2,0,0]=4 16950 B14R1.4521 CC(=O)OCCCCOCC1CCC1 34a_100000760304_100000033659 [0,1,0,1,0,0|2,0,0]=4 16951 B14R1.4521 CC(=O)OCCCCOCC1CCC1 7a_100000073216_100000763275 [0,1,0,1,0,0|2,0,0]=4 16952 B14R1.4521 CC(=O)OCCCCSCC1CCC1 62a_100000033659_100000763275 [0,1,0,1,0,0|2,0,0]=4 16953 B14R1.4521 CC(=O)OCCCCSCC1CCC1 62a_100000763275_100000033659 [0,1,0,1,0,0|2,0,0]=4 16954 B14R1.4521 CC(=O)SCCCCNCC1CCC1 2230a_100000738700_200010402107 [0,1,0,1,0,0|2,0,0]=4 16955 B14R1.4521 CC(=O)SCCCCNCC1CCC1 34a_100000738700_200010402107 [0,1,0,1,0,0|2,0,0]=4 16956 B14R1.4521 CC(=O)SCCCCOCC1CCC1 34a_100000760304_200010402107 [0,1,0,1,0,0|2,0,0]=4 16957 B14R1.4521 CC(=O)SCCCCSCC1CCC1 62a_100000763275_200010402107 [0,1,0,1,0,0|2,0,0]=4 16958 B14R1.4521 CC(=O)SCCCCSCC1CCC1 62a_200010402107_100000763275 [0,1,0,1,0,0|2,0,0]=4 16959 B14R1.4521 NC(=O)CCCCCNCC1CCC1 2230a_100000738700_100009817443 [0,1,0,1,0,0|1,0,0]=3 16960 B14R1.4521 NC(=O)CCCCCNCC1CCC1 34a_100000738700_100009817443 [0,1,0,1,0,0|1,0,0]=3 16961 B14R1.4521 NC(=O)CCCCCNCC1COC1 2230a_100015281925_100009817443 [0,1,0,1,0,0|2,0,0]=4 16962 B14R1.4521 NC(=O)CCCCCNCC1COC1 34a_100015281925_100009817443 [0,1,0,1,0,0|2,0,0]=4 16963 B14R1.4521 NC(=O)CCCCCNC[C@@H]1CCO1 2230a_100020831831_100009817443 [0,1,0,1,0,0|2,0,0]=4 16964 B14R1.4521 NC(=O)CCCCCNC[C@@H]1CCO1 34a_100020831831_100009817443 [0,1,0,1,0,0|2,0,0]=4 16965 B14R1.4521 NC(=O)CCCCCOCC1CCC1 34a_100000123541_100000763275 [0,1,0,1,0,0|1,0,0]=3 16966 B14R1.4521 NC(=O)CCCCCOCC1CCC1 34a_100000760304_100009817443 [0,1,0,1,0,0|1,0,0]=3 16967 B14R1.4521 NC(=O)CCCCCOCC1CCC1 7a_100000123541_100000763275 [0,1,0,1,0,0|1,0,0]=3 16968 B14R1.4521 NC(=O)CCCCCOCC1CCO1 34a_100000039022_100009817443 [0,1,0,1,0,0|2,0,0]=4 16969 B14R1.4521 NC(=O)CCCCCOCC1CCO1 34a_100000123541_100000103362 [0,1,0,1,0,0|2,0,0]=4 16970 B14R1.4521 NC(=O)CCCCCOCC1CCO1 7a_100000123541_100000103362 [0,1,0,1,0,0|2,0,0]=4 16971 B14R1.4521 NC(=O)CCCCCOCC1CNC1 34a_100016987283_100009817443 [0,1,0,1,0,0|2,0,0]=4 16972 B14R1.4521 NC(=O)CCCCCOCC1COC1 34a_100000060846_100009817443 [0,1,0,1,0,0|2,0,0]=4 16973 B14R1.4521 NC(=O)CCCCCOCC1COC1 34a_100000123541_100010264016 [0,1,0,1,0,0|2,0,0]=4 16974 B14R1.4521 NC(=O)CCCCCOCC1COC1 7a_100000123541_100010264016 [0,1,0,1,0,0|2,0,0]=4 16975 B14R1.4521 NC(=O)CCCCCSCC1CCC1 62a_100000763275_100009817443 [0,1,0,1,0,0|1,0,0]=3 16976 B14R1.4521 NC(=O)CCCCCSCC1CCC1 62a_100009817443_100000763275 [0,1,0,1,0,0|1,0,0]=3 16977 B14R1.4521 NC(=O)CCCCCSCC1CCO1 62a_100000103362_100009817443 [0,1,0,1,0,0|2,0,0]=4 16978 B14R1.4521 NC(=O)CCCCCSCC1CCO1 62a_100009817443_100000103362 [0,1,0,1,0,0|2,0,0]=4 16979 B14R1.4521 NC(=O)CCCCCSCC1COC1 62a_100009817443_100010264016 [0,1,0,1,0,0|2,0,0]=4 16980 B14R1.4521 NC(=O)CCCCCSCC1COC1 62a_100010264016_100009817443 [0,1,0,1,0,0|2,0,0]=4 16981 B14R1.4521 O=C([O-])CCCCCOCC1CCC1 7a_100102619762_100000763275 [0,1,0,1,0,0|0,0,1]=3 16982 B14R1.4521 O=C([O-])CCCCCOCC1CCO1 7a_100102619762_100000103362 [0,1,0,1,0,0|1,0,1]=4 16983 B14R1.4521 O=C([O-])CCCCCOCC1COC1 7a_100102619762_100010264016 [0,1,0,1,0,0|1,0,1]=4 16984 B14R1.4521 OB(O)CCCCCCNC1CCC1 2230a_100000749019_100009817187 [0,1,0,1,0,0|1,0,1]=4 16985 B14R1.4521 OB(O)CCCCCCNC1CCC1 34a_100000749019_100009817187 [0,1,0,1,0,0|1,0,1]=4 16986 B14R1.4521 OB(O)CCCCCCOC1CCC1 34a_100000748187_100009817187 [0,1,0,1,0,0|1,0,1]=4 16987 B14R1.4521 OB(O)CCCCCCSC1CCC1 62a_100009817187_100000749161 [0,1,0,1,0,0|1,0,1]=4 16988 B14R1.4521 OB(O)CCCCCNCC1CCC1 2230a_100000738700_200009817188 [0,1,0,1,0,0|1,0,1]=4 16989 B14R1.4521 OB(O)CCCCCNCC1CCC1 34a_100000738700_200009817188 [0,1,0,1,0,0|1,0,1]=4 16990 B14R1.4521 OB(O)CCCCCOCC1CCC1 34a_100000760304_200009817188 [0,1,0,1,0,0|1,0,1]=4 16991 B14R1.4521 OB(O)CCCCCSCC1CCC1 62a_100000763275_200009817188 [0,1,0,1,0,0|1,0,1]=4 16992 B14R1.4521 OB(O)CCCCCSCC1CCC1 62a_200009817188_100000763275 [0,1,0,1,0,0|1,0,1]=4 16993 B14R1.5254 CCN[C@@H]1CCCCCC[C@@H]1C(=O)O 269956a_200049070474_100000210202 [0,1,0,1,0,0|0,0,0]=2 16994 B14R1.5254 O=C(O)[C@H]1CCCCCC[C@H]1NCF 269956a_200049070474_100015361967 [0,1,0,1,0,0|1,0,0]=3 16995 B14R1.6335 C=C(C)CCN1CCCCCCCC1 2230a_100000039187_100000730704 [0,1,0,1,0,0|2,0,0]=4 16996 B14R1.6335 C=C(C)CCN1CCCCCCCC1 269982a_100000039187_100000730704 [0,1,0,1,0,0|2,0,0]=4 16997 B14R1.6335 C=C(C)CCN1CCCCCCCC1 34a_100000039187_100000730704 [0,1,0,1,0,0|2,0,0]=4 16998 B14R1.6335 CC(=O)CCN1CCCCCCCC1 269982a_100000039187_100000053229 [0,1,0,1,0,0|1,0,0]=3 16999 B14R1.6335 CC(=O)OCN1CCCCCCCC1 269982a_100000039187_100000076356 [0,1,0,1,0,0|2,0,0]=4 17000 B14R1.6335 CC(=O)OCN1CCCCCCCC1 34a_100000039187_100009813279 [0,1,0,1,0,0|2,0,0]=4 17001 B14R1.6335 CC(O)CCN1CCCCCCCC1 2230a_100000039187_100012276601 [0,1,0,1,0,0|1,0,1]=4 17002 B14R1.6335 CC(O)CCN1CCCCCCCC1 269982a_100000039187_100012276601 [0,1,0,1,0,0|1,0,1]=4 17003 B14R1.6335 CC(O)CCN1CCCCCCCC1 34a_100000039187_100012276601 [0,1,0,1,0,0|1,0,1]=4 17004 B14R1.6335 CC(O)CNC1CCCCCCCC1 270004a_100000210904_100000038600 [0,1,0,1,0,0|1,0,1]=4 17005 B14R1.6335 NC(=O)CCN1CCCCCCCC1 2230a_100000039187_100000744528 [0,1,0,1,0,0|1,0,0]=3 17006 B14R1.6335 NC(=O)CCN1CCCCCCCC1 269982a_100000039187_100000744528 [0,1,0,1,0,0|1,0,0]=3 17007 B14R1.6335 NC(=O)CCN1CCCCCCCC1 34a_100000039187_100000731001 [0,1,0,1,0,0|1,0,0]=3 17008 B14R1.6343 C=C(Br)CCOCC1CCCCCC1 34a_100009813270_200000696569 [0,1,0,1,0,0|2,0,0]=4 17009 B14R1.6343 C=C(C)CCNCC1CCCCCC1 2230a_100015204231_100000730704 [0,1,0,1,0,0|2,0,0]=4 17010 B14R1.6343 C=C(C)CCNCC1CCCCCC1 34a_100015204231_100000730704 [0,1,0,1,0,0|2,0,0]=4 17011 B14R1.6343 C=C(C)CCOCC1CCCCCC1 34a_100000699130_100000730704 [0,1,0,1,0,0|2,0,0]=4 17012 B14R1.6343 C=C(C)CCOCC1CCCCCC1 34a_100000764851_200000696569 [0,1,0,1,0,0|2,0,0]=4 17013 B14R1.6343 C=C(C)CCOCC1CCCCCC1 7a_100000699130_100000730704 [0,1,0,1,0,0|2,0,0]=4 17014 B14R1.6343 C=C(C)CCSCC1CCCCCC1 62a_100000730704_200000696569 [0,1,0,1,0,0|2,0,0]=4 17015 B14R1.6343 C=C(C)CCSCC1CCCCCC1 62a_200000696569_100000730704 [0,1,0,1,0,0|2,0,0]=4 17016 B14R1.6343 C=C(C)CNCCC1CCCCCC1 2230a_100011532351_100000748629 [0,1,0,1,0,0|2,0,0]=4 17017 B14R1.6343 C=C(C)CNCCC1CCCCCC1 34a_100011532351_100000748629 [0,1,0,1,0,0|2,0,0]=4 17018 B14R1.6343 C=C(F)CNCCC1CCCCCC1 2230a_100011532351_100009893438 [0,1,0,1,0,0|2,0,0]=4 17019 B14R1.6343 C=C(F)CNCCC1CCCCCC1 34a_100011532351_100009893438 [0,1,0,1,0,0|2,0,0]=4 17020 B14R1.6343 CC(=O)CCCCN1CCCCCC1 269982a_100000185865_100000735457 [0,1,0,1,0,0|1,0,0]=3 17021 B14R1.6343 CC(=O)CCCCN1CCCCCC1 34a_100000185865_100009817362 [0,1,0,1,0,0|1,0,0]=3 17022 B14R1.6343 CC(=O)CCCCN1CCCOCC1 269982a_100000685342_100000735457 [0,1,0,1,0,0|2,0,0]=4 17023 B14R1.6343 CC(=O)CCCCN1CCCOCC1 34a_100000685342_100009817362 [0,1,0,1,0,0|2,0,0]=4 17024 B14R1.6343 CC(=O)CCCNC1CCCCCC1 34a_100000210984_100000685027 [0,1,0,1,0,0|1,0,0]=3 17025 B14R1.6343 CC(=O)CCCOC1CCCCCC1 34a_100000210887_100000685027 [0,1,0,1,0,0|1,0,0]=3 17026 B14R1.6343 CC(=O)CCCOC1CCCCCC1 34a_100000759063_100011217769 [0,1,0,1,0,0|1,0,0]=3 17027 B14R1.6343 CC(=O)CCCOC1CCCCCC1 7a_100000210887_100011215641 [0,1,0,1,0,0|1,0,0]=3 17028 B14R1.6343 CC(=O)CCCSC1CCCCCC1 62a_100011215641_100011217769 [0,1,0,1,0,0|1,0,0]=3 17029 B14R1.6343 CC(=O)CCCSC1CCCCCC1 62a_100011217769_100011215641 [0,1,0,1,0,0|1,0,0]=3 17030 B14R1.6343 CC(=O)CCOCC1CCCCCC1 34a_100000759926_200000696569 [0,1,0,1,0,0|1,0,0]=3 17031 B14R1.6343 CC(=O)CCOCC1CCCCCC1 7a_100000699130_100000053229 [0,1,0,1,0,0|1,0,0]=3 17032 B14R1.6343 CC(=O)CCOCC1CCCCCC1 7a_100000759926_200000696569 [0,1,0,1,0,0|1,0,0]=3 17033 B14R1.6343 CC(=O)CCSCC1CCCCCC1 62a_100000053229_200000696569 [0,1,0,1,0,0|1,0,0]=3 17034 B14R1.6343 CC(=O)CCSCC1CCCCCC1 62a_200000696569_100000053229 [0,1,0,1,0,0|1,0,0]=3 17035 B14R1.6343 CC(=O)NCCCN1CCCCCC1 11a_100000181460_100015343762 [0,1,0,1,0,0|2,0,0]=4 17036 B14R1.6343 CC(=O)NCCCN1CCCCCC1 240690a_100000181460_100015343762 [0,1,0,1,0,0|2,0,0]=4 17037 B14R1.6343 CC(=O)NCCCN1CCCCCC1 527a_100000181460_100103153847 [0,1,0,1,0,0|2,0,0]=4 17038 B14R1.6343 CC(=O)NCCNC1CCCCCC1 2230a_100000210984_100000189650 [0,1,0,1,0,0|2,0,0]=4 17039 B14R1.6343 CC(=O)NCCOC1CCCCCC1 34a_100000158858_100011217769 [0,1,0,1,0,0|2,0,0]=4 17040 B14R1.6343 CC(=O)NCCOC1CCCCCC1 7a_100000210887_100000189650 [0,1,0,1,0,0|2,0,0]=4 17041 B14R1.6343 CC(=O)NCCSC1CCCCCC1 62a_100000189650_100011217769 [0,1,0,1,0,0|2,0,0]=4 17042 B14R1.6343 CC(=O)NCCSC1CCCCCC1 62a_100011217769_100000189650 [0,1,0,1,0,0|2,0,0]=4 17043 B14R1.6343 CC(=O)OCCCN1CCCCCC1 269982a_100000185865_100000042594 [0,1,0,1,0,0|2,0,0]=4 17044 B14R1.6343 CC(=O)OCCCN1CCCCCC1 34a_100000185865_100000042594 [0,1,0,1,0,0|2,0,0]=4 17045 B14R1.6343 CC(=O)OCCNC1CCCCCC1 34a_100000210984_100009814007 [0,1,0,1,0,0|2,0,0]=4 17046 B14R1.6343 CC(=O)OCCOC1CCCCCC1 34a_100000210887_100009814007 [0,1,0,1,0,0|2,0,0]=4 17047 B14R1.6343 CC(=O)OCCOC1CCCCCC1 7a_100000210887_100009814007 [0,1,0,1,0,0|2,0,0]=4 17048 B14R1.6343 CC(=O)OCCSC1CCCCCC1 62a_100009814007_100011217769 [0,1,0,1,0,0|2,0,0]=4 17049 B14R1.6343 CC(=O)OCCSC1CCCCCC1 62a_100011217769_100009814007 [0,1,0,1,0,0|2,0,0]=4 17050 B14R1.6343 CC(=O)OCNCC1CCCCCC1 34a_100015204231_100009813279 [0,1,0,1,0,0|2,0,0]=4 17051 B14R1.6343 CC(=O)OCOCC1CCCCCC1 34a_100000699130_100009813279 [0,1,0,1,0,0|2,0,0]=4 17052 B14R1.6343 CC(=O)OCSCC1CCCCCC1 62a_100000076356_200000696569 [0,1,0,1,0,0|2,0,0]=4 17053 B14R1.6343 CC(=O)OCSCC1CCCCCC1 62a_200000696569_100000076356 [0,1,0,1,0,0|2,0,0]=4 17054 B14R1.6343 CC(=O)SCCCN1CCCCCC1 2230a_100000185865_100000038929 [0,1,0,1,0,0|2,0,0]=4 17055 B14R1.6343 CC(=O)SCCCN1CCCCCC1 269982a_100000185865_100000038929 [0,1,0,1,0,0|2,0,0]=4 17056 B14R1.6343 CC(=O)SCCCN1CCCCCC1 34a_100000185865_100000038929 [0,1,0,1,0,0|2,0,0]=4 17057 B14R1.6343 CC(O)CCCNC1CCCCCC1 2230a_100000210984_200000718107 [0,1,0,1,0,0|1,0,1]=4 17058 B14R1.6343 CC(O)CCCNC1CCCCCC1 34a_100000210984_200000718107 [0,1,0,1,0,0|1,0,1]=4 17059 B14R1.6343 CC(O)CCCOC1CCCCCC1 34a_100000210887_200000718107 [0,1,0,1,0,0|1,0,1]=4 17060 B14R1.6343 CC(O)CCCOC1CCCCCC1 7a_100000210887_200000718107 [0,1,0,1,0,0|1,0,1]=4 17061 B14R1.6343 CC(O)CCCSC1CCCCCC1 62a_100011217769_200000718107 [0,1,0,1,0,0|1,0,1]=4 17062 B14R1.6343 CC(O)CCCSC1CCCCCC1 62a_200000718107_100011217769 [0,1,0,1,0,0|1,0,1]=4 17063 B14R1.6343 CC(O)CCNCC1CCCCCC1 2230a_100015204231_100012276601 [0,1,0,1,0,0|1,0,1]=4 17064 B14R1.6343 CC(O)CCNCC1CCCCCC1 2230a_200000755665_200000696569 [0,1,0,1,0,0|1,0,1]=4 17065 B14R1.6343 CC(O)CCNCC1CCCCCC1 269862a_200000755665_200000763224 [0,1,0,1,0,0|1,0,1]=4 17066 B14R1.6343 CC(O)CCNCC1CCCCCC1 34a_100015204231_100012276601 [0,1,0,1,0,0|1,0,1]=4 17067 B14R1.6343 CC(O)CCOCC1CCCCCC1 34a_100000699130_100012276601 [0,1,0,1,0,0|1,0,1]=4 17068 B14R1.6343 CC(O)CCOCC1CCCCCC1 7a_100000699130_100012276601 [0,1,0,1,0,0|1,0,1]=4 17069 B14R1.6343 CC(O)CCSCC1CCCCCC1 62a_100012276601_200000696569 [0,1,0,1,0,0|1,0,1]=4 17070 B14R1.6343 CC(O)CCSCC1CCCCCC1 62a_200000696569_100012276601 [0,1,0,1,0,0|1,0,1]=4 17071 B14R1.6343 CC(O)CNCCC1CCCCCC1 2230a_100011532351_100011218427 [0,1,0,1,0,0|1,0,1]=4 17072 B14R1.6343 CC(O)CNCCC1CCCCCC1 34a_100011532351_100011218427 [0,1,0,1,0,0|1,0,1]=4 17073 B14R1.6343 CS(=O)CCCNC1CCCCCC1 270004a_200000753449_100000210131 [0,1,0,1,0,0|2,0,0]=4 17074 B14R1.6343 C[C@@H](O)CNCCC1CCCCCC1 2230a_100011532351_100009817552 [0,1,0,1,0,0|1,0,1]=4 17075 B14R1.6343 C[C@@H](O)CNCCC1CCCCCC1 34a_100011532351_100009817552 [0,1,0,1,0,0|1,0,1]=4 17076 B14R1.6343 NC(=O)CCCNC1CCCCCC1 34a_100000210984_100102525003 [0,1,0,1,0,0|1,0,0]=3 17077 B14R1.6343 NC(=O)CCCNC1CCCCCC1 34a_100000739312_100011217769 [0,1,0,1,0,0|1,0,0]=3 17078 B14R1.6343 NC(=O)CCCOC1CCCCCC1 34a_100000210887_100102525003 [0,1,0,1,0,0|1,0,0]=3 17079 B14R1.6343 NC(=O)CCCOC1CCCCCC1 7a_100000210887_100102525003 [0,1,0,1,0,0|1,0,0]=3 17080 B14R1.6343 NC(=O)CCCSC1CCCCCC1 62a_100011217769_100102525003 [0,1,0,1,0,0|1,0,0]=3 17081 B14R1.6343 NC(=O)CCCSC1CCCCCC1 62a_100102525003_100011217769 [0,1,0,1,0,0|1,0,0]=3 17082 B14R1.6343 NC(=O)CCNCC1CCCCCC1 2230a_100015204231_100000744528 [0,1,0,1,0,0|1,0,0]=3 17083 B14R1.6343 NC(=O)CCNCC1CCCCCC1 269862a_100000740010_200000763224 [0,1,0,1,0,0|1,0,0]=3 17084 B14R1.6343 NC(=O)CCNCC1CCCCCC1 34a_100015204231_100000731001 [0,1,0,1,0,0|1,0,0]=3 17085 B14R1.6343 NC(=O)CCOCC1CCCCCC1 34a_100000699130_100000731001 [0,1,0,1,0,0|1,0,0]=3 17086 B14R1.6343 NC(=O)CCOCC1CCCCCC1 34a_100000757172_200000696569 [0,1,0,1,0,0|1,0,0]=3 17087 B14R1.6343 NC(=O)CCOCC1CCCCCC1 7a_100000699130_100000744528 [0,1,0,1,0,0|1,0,0]=3 17088 B14R1.6343 NC(=O)CCOCC1CCCCCC1 7a_100000757172_200000696569 [0,1,0,1,0,0|1,0,0]=3 17089 B14R1.6343 NC(=O)CCSCC1CCCCCC1 62a_100000744528_200000696569 [0,1,0,1,0,0|1,0,0]=3 17090 B14R1.6343 NC(=O)CCSCC1CCCCCC1 62a_200000696569_100000744528 [0,1,0,1,0,0|1,0,0]=3 17091 B14R1.6343 NC(=O)CNCCC1CCCCCC1 2230a_100011532351_100000747473 [0,1,0,1,0,0|1,0,0]=3 17092 B14R1.6343 NC(=O)CNCCC1CCCCCC1 34a_100011532351_100000187820 [0,1,0,1,0,0|1,0,0]=3 17093 B14R1.6343 NC(=O)COCCN1CCCCCC1 2230a_100000185865_100000076697 [0,1,0,1,0,0|2,0,0]=4 17094 B14R1.6343 NC(=O)COCCN1CCCCCC1 269982a_100000185865_100000076697 [0,1,0,1,0,0|2,0,0]=4 17095 B14R1.6343 NC(=O)COCCN1CCCCCC1 34a_100000185865_100000076697 [0,1,0,1,0,0|2,0,0]=4 17096 B14R1.6343 NC(=O)COCCN1CCCCCC1 34a_100000238007_100000187820 [0,1,0,1,0,0|2,0,0]=4 17097 B14R1.6343 NC(=O)CSCCN1CCCCCC1 62a_100000722644_100000747473 [0,1,0,1,0,0|2,0,0]=4 17098 B14R1.6343 NC(=O)CSCCN1CCCCCC1 62a_100000747473_100000722644 [0,1,0,1,0,0|2,0,0]=4 17099 B14R1.6343 NC(=O)NCCNC1CCCCCC1 2230a_100000210984_200000034859 [0,1,0,1,0,0|2,0,0]=4 17100 B14R1.6343 NC(=O)NCCNC1CCCCCC1 34a_100020590234_100011217769 [0,1,0,1,0,0|2,0,0]=4 17101 B14R1.6343 NC(=O)NCCOC1CCCCCC1 34a_100000181757_100011217769 [0,1,0,1,0,0|2,0,0]=4 17102 B14R1.6343 NC(=O)NCCOC1CCCCCC1 7a_100000210887_200000034859 [0,1,0,1,0,0|2,0,0]=4 17103 B14R1.6343 NC(=O)NCCSC1CCCCCC1 62a_100011217769_200000034859 [0,1,0,1,0,0|2,0,0]=4 17104 B14R1.6343 NC(=O)NCCSC1CCCCCC1 62a_200000034859_100011217769 [0,1,0,1,0,0|2,0,0]=4 17105 B14R1.6343 NC(=O)OCCNC1CCCCCC1 34a_100000210984_200011214921 [0,1,0,1,0,0|2,0,0]=4 17106 B14R1.6343 NC(=O)OCCOC1CCCCCC1 34a_100000210887_200011214921 [0,1,0,1,0,0|2,0,0]=4 17107 B14R1.6343 NC(=O)OCCOC1CCCCCC1 7a_100000210887_200011214921 [0,1,0,1,0,0|2,0,0]=4 17108 B14R1.6343 NC(=O)OCCSC1CCCCCC1 62a_100011217769_200011214921 [0,1,0,1,0,0|2,0,0]=4 17109 B14R1.6343 NC(=O)OCCSC1CCCCCC1 62a_200011214921_100011217769 [0,1,0,1,0,0|2,0,0]=4 17110 B14R1.6343 O=C(O)CNCCN1CCCCCC1 269956a_100016091260_100000722644 [0,1,0,1,0,0|1,0,0]=3 17111 B14R1.6343 O=C(O)CONCC1CCCCCC1 269956a_100000106656_200000696569 [0,1,0,1,0,0|1,0,0]=3 17112 B14R1.6343 O=C([O-])CNCCC1CCCCCC1 34a_100011532351_100020667443 [0,1,0,1,0,0|0,0,1]=3 17113 B14R1.6343 O=C([O-])COCCN1CCCCCC1 34a_100000238007_100020667443 [0,1,0,1,0,0|1,0,1]=4 17114 B14R1.6343 O=C([O-])CSCCN1CCCCCC1 62a_100000722644_100020667443 [0,1,0,1,0,0|1,0,1]=4 17115 B14R1.6343 O=C([O-])CSCCN1CCCCCC1 62a_100020667443_100000722644 [0,1,0,1,0,0|1,0,1]=4 17116 B14R1.6343 O=[N+]([O-])CCCOC1CCCCCC1 34a_200000037920_100011217769 [0,1,0,1,0,0|1,0,1]=4 17117 B14R1.6343 O=[N+]([O-])CNCCC1CCCCCC1 34a_100011532351_100000761209 [0,1,0,1,0,0|1,0,1]=4 17118 B14R1.6343 OB(O)CCCCN1CCCCCC1 2230a_100000185865_200009817182 [0,1,0,1,0,0|1,0,1]=4 17119 B14R1.6343 OB(O)CCCCN1CCCCCC1 269982a_100000185865_200009817182 [0,1,0,1,0,0|1,0,1]=4 17120 B14R1.6343 OB(O)CCCCN1CCCCCC1 34a_100000185865_200009817182 [0,1,0,1,0,0|1,0,1]=4 17121 B14R1.6388 CC(=O)CCCCOCCNC1CC1 34a_100000738766_100009817362 [0,1,0,1,0,0|2,0,0]=4 17122 B14R1.6388 CC(=O)CCCCSCCCC1CO1 62a_100000733510_100000735457 [0,1,0,1,0,0|2,0,0]=4 17123 B14R1.6388 CC(=O)CCCCSCCCC1CO1 62a_100000735457_100000733510 [0,1,0,1,0,0|2,0,0]=4 17124 B14R1.6388 CC(=O)NCCCCCCNC1CC1 34a_200011996284_100000211595 [0,1,0,1,0,0|2,0,0]=4 17125 B14R1.6388 CC(=O)NCCCCCNCC1CC1 2230a_200012022750_100000742324 [0,1,0,1,0,0|2,0,0]=4 17126 B14R1.6388 CC(=O)NCCCCCNCC1CC1 269862a_200012022750_100000741477 [0,1,0,1,0,0|2,0,0]=4 17127 B14R1.6388 CC(=O)NCCCCCNCC1CC1 34a_200012022750_100000742324 [0,1,0,1,0,0|2,0,0]=4 17128 B14R1.6388 CC(=O)NCCCCNCCC1CC1 2230a_200011368371_100000694398 [0,1,0,1,0,0|2,0,0]=4 17129 B14R1.6388 CC(=O)NCCCCNCCC1CC1 34a_200011368371_100000694398 [0,1,0,1,0,0|2,0,0]=4 17130 B14R1.6388 CC(=O)OCCCCCNCC1CC1 2230a_100000735609_100009813381 [0,1,0,1,0,0|2,0,0]=4 17131 B14R1.6388 CC(=O)OCCCCCNCC1CC1 34a_100000735609_100000033007 [0,1,0,1,0,0|2,0,0]=4 17132 B14R1.6388 CC(=O)OCCCCCOCC1CC1 34a_100000211283_100000033007 [0,1,0,1,0,0|2,0,0]=4 17133 B14R1.6388 CC(=O)OCCCCCSCC1CC1 62a_100000033007_100000742324 [0,1,0,1,0,0|2,0,0]=4 17134 B14R1.6388 CC(=O)OCCCCCSCC1CC1 62a_100000756562_100000033007 [0,1,0,1,0,0|2,0,0]=4 17135 B14R1.6388 CC(=O)OCCCCNCCC1CC1 34a_100000764129_100000033659 [0,1,0,1,0,0|2,0,0]=4 17136 B14R1.6388 CC(=O)OCCCCOCCC1CC1 34a_100000073216_100000694398 [0,1,0,1,0,0|2,0,0]=4 17137 B14R1.6388 CC(=O)OCCCCOCCC1CC1 34a_100000754188_100000033659 [0,1,0,1,0,0|2,0,0]=4 17138 B14R1.6388 CC(=O)OCCCCOCCC1CC1 7a_100000073216_100000764125 [0,1,0,1,0,0|2,0,0]=4 17139 B14R1.6388 CC(=O)OCCCCOCCC1CC1 7a_100000754188_100000033659 [0,1,0,1,0,0|2,0,0]=4 17140 B14R1.6388 CC(=O)OCCCCSCCC1CC1 62a_100000033659_100000764125 [0,1,0,1,0,0|2,0,0]=4 17141 B14R1.6388 CC(=O)OCCCCSCCC1CC1 62a_100000764125_100000033659 [0,1,0,1,0,0|2,0,0]=4 17142 B14R1.6388 CC(=O)SCCCCNCCC1CC1 34a_100000764129_200010402107 [0,1,0,1,0,0|2,0,0]=4 17143 B14R1.6388 CC(=O)SCCCCOCCC1CC1 34a_100000754188_200010402107 [0,1,0,1,0,0|2,0,0]=4 17144 B14R1.6388 CC(=O)SCCCCOCCC1CC1 7a_100000754188_200010402107 [0,1,0,1,0,0|2,0,0]=4 17145 B14R1.6388 CC(=O)SCCCCSCCC1CC1 62a_100000764125_200010402107 [0,1,0,1,0,0|2,0,0]=4 17146 B14R1.6388 CC(=O)SCCCCSCCC1CC1 62a_200010402107_100000764125 [0,1,0,1,0,0|2,0,0]=4 17147 B14R1.6388 NC(=O)CCCCCNCCC1CC1 34a_100000764129_100009817443 [0,1,0,1,0,0|1,0,0]=3 17148 B14R1.6388 NC(=O)CCCCCOCCC1CC1 34a_100000123541_100000694398 [0,1,0,1,0,0|1,0,0]=3 17149 B14R1.6388 NC(=O)CCCCCOCCC1CC1 34a_100000754188_100009817443 [0,1,0,1,0,0|1,0,0]=3 17150 B14R1.6388 NC(=O)CCCCCOCCC1CC1 7a_100000123541_100000764125 [0,1,0,1,0,0|1,0,0]=3 17151 B14R1.6388 NC(=O)CCCCCOCCC1CC1 7a_100000754188_100009817443 [0,1,0,1,0,0|1,0,0]=3 17152 B14R1.6388 NC(=O)CCCCCOCCC1CO1 34a_100000123541_100000732470 [0,1,0,1,0,0|2,0,0]=4 17153 B14R1.6388 NC(=O)CCCCCOCCC1CO1 7a_100000123541_100000732470 [0,1,0,1,0,0|2,0,0]=4 17154 B14R1.6388 NC(=O)CCCCCOCC[C@@H]1CO1 34a_100009820653_100009817443 [0,1,0,1,0,0|2,0,0]=4 17155 B14R1.6388 NC(=O)CCCCCSCCC1CC1 62a_100000764125_100009817443 [0,1,0,1,0,0|1,0,0]=3 17156 B14R1.6388 NC(=O)CCCCCSCCC1CC1 62a_100009817443_100000764125 [0,1,0,1,0,0|1,0,0]=3 17157 B14R1.6388 NC(=O)CCCCCSCCC1CO1 62a_100000732470_100009817443 [0,1,0,1,0,0|2,0,0]=4 17158 B14R1.6388 NC(=O)CCCCCSCCC1CO1 62a_100009817443_100000732470 [0,1,0,1,0,0|2,0,0]=4 17159 B14R1.6388 NC(=O)CCCCNCCCC1CO1 34a_100000696515_100000733510 [0,1,0,1,0,0|2,0,0]=4 17160 B14R1.6388 NC(=O)CCCCOCCCC1CO1 34a_100012022536_100000733510 [0,1,0,1,0,0|2,0,0]=4 17161 B14R1.6388 NC(=O)CCCCOCCCC1CO1 7a_100012022536_100000733510 [0,1,0,1,0,0|2,0,0]=4 17162 B14R1.6388 O=C(O)COCCNCCCC1CO1 269956a_100000700818_100000733510 [0,1,0,1,0,0|2,0,0]=4 17163 B14R1.6388 O=C(O)COCCOCCNC1CC1 269956a_100009854275_100000211595 [0,1,0,1,0,0|2,0,0]=4 17164 B14R1.6388 O=C([O-])CCCCCOCCC1CC1 7a_100102619762_100000764125 [0,1,0,1,0,0|0,0,1]=3 17165 B14R1.6388 O=C([O-])CCCCCOCCC1CO1 7a_100102619762_100000732470 [0,1,0,1,0,0|1,0,1]=4 17166 B14R1.6388 OB(O)CCCCCCNCC1CC1 2230a_100000735609_100009817187 [0,1,0,1,0,0|1,0,1]=4 17167 B14R1.6388 OB(O)CCCCCCNCC1CC1 34a_100000735609_100009817187 [0,1,0,1,0,0|1,0,1]=4 17168 B14R1.6388 OB(O)CCCCCCOCC1CC1 34a_100000211283_100009817187 [0,1,0,1,0,0|1,0,1]=4 17169 B14R1.6388 OB(O)CCCCCCSCC1CC1 62a_100000756562_100009817187 [0,1,0,1,0,0|1,0,1]=4 17170 B14R1.6388 OB(O)CCCCCCSCC1CC1 62a_100009817187_100000742324 [0,1,0,1,0,0|1,0,1]=4 17171 B14R1.6388 OB(O)CCCCCNCCC1CC1 34a_100000764129_200009817188 [0,1,0,1,0,0|1,0,1]=4 17172 B14R1.6388 OB(O)CCCCCOCCC1CC1 34a_100000754188_200009817188 [0,1,0,1,0,0|1,0,1]=4 17173 B14R1.6388 OB(O)CCCCCOCCC1CC1 7a_100000754188_200009817188 [0,1,0,1,0,0|1,0,1]=4 17174 B14R1.6388 OB(O)CCCCCSCCC1CC1 62a_100000764125_200009817188 [0,1,0,1,0,0|1,0,1]=4 17175 B14R1.6388 OB(O)CCCCCSCCC1CC1 62a_200009817188_100000764125 [0,1,0,1,0,0|1,0,1]=4 17176 B14R1.32 CCCC(C)COC1CCCC(=O)C1 34a_100012613340_100011216630 [0,1,0,1,0,0|2,0,0]=4 17177 B14R1.32 CCCC(C)OCC1CCCC(=O)N1 34a_200000102386_100000766640 [0,1,0,1,0,0|2,0,0]=4 17178 B14R1.148 CC(=O)CCCCN1CCCC(C1)F 269982a_100000697950_100000735457 [0,1,0,1,0,0|2,0,0]=4 17179 B14R1.148 CC(=O)CCCCN1CCCC(C1)F 34a_100000697950_100009817362 [0,1,0,1,0,0|2,0,0]=4 17180 B14R1.148 CC(=O)CCCCN1CCCC(C1)O 269982a_100000211013_100000735457 [0,1,0,1,0,0|2,0,0]=4 17181 B14R1.148 CC(=O)CCCCN1CCC[C@@H](C1)C 269982a_100000717927_100000735457 [0,1,0,1,0,0|2,0,0]=4 17182 B14R1.148 CC(=O)CCCCN1CCC[C@@H](C1)C 34a_100000717927_100009817362 [0,1,0,1,0,0|2,0,0]=4 17183 B14R1.148 CC(=O)CCCNC1CCCC(C1)C 34a_100011194320_100000685027 [0,1,0,1,0,0|2,0,0]=4 17184 B14R1.148 CC(=O)CCCOC1CCCC(C1)C 34a_100000211399_100000685027 [0,1,0,1,0,0|2,0,0]=4 17185 B14R1.148 CC(C)CCCOC1CCCC(=O)C1 34a_100012613340_100011214892 [0,1,0,1,0,0|2,0,0]=4 17186 B14R1.148 CC(C)CCOCC1CCCC(=O)N1 34a_200000102386_100000210312 [0,1,0,1,0,0|2,0,0]=4 17187 B14R1.148 CC(O)CCCOC1CCCC(=O)C1 34a_100012613340_200000718107 [0,1,0,1,0,0|2,0,0]=4 17188 B14R1.148 CC(O)CCOCC1CCCC(=O)N1 34a_200000102386_100012276601 [0,1,0,1,0,0|2,0,0]=4 17189 B14R1.148 CC1CCCC(C1)NCCCC(=O)N 34a_100011194320_100102525003 [0,1,0,1,0,0|2,0,0]=4 17190 B14R1.148 CC1CCCC(C1)OCCCC(=O)N 34a_100000211399_100102525003 [0,1,0,1,0,0|2,0,0]=4 17191 B14R1.148 CC1CCCN(C1)CCNCC(=O)O 269956a_100016091260_100000766211 [0,1,0,1,0,0|2,0,0]=4 17192 B14R1.148 NC(=O)CCNCC1CCCC(C1)O 2230a_100011254705_100000744528 [0,1,0,1,0,0|2,0,0]=4 17193 B14R1.340 CC(=O)CCCCOCC1CC(C1)Cl 34a_100009874164_100009817362 [0,1,0,1,0,0|2,0,0]=4 17194 B14R1.340 CC(C)CCCCCSC1CC(=O)C1 62a_100009894365_100000210682 [0,1,0,1,0,0|2,0,0]=4 17195 B14R1.340 CC(C)CCCCOCC1CC(=O)C1 34a_100000101936_100011216152 [0,1,0,1,0,0|2,0,0]=4 17196 B14R1.340 CC(C)CCCCOCC1CC(=O)C1 7a_100011214890_100009874392 [0,1,0,1,0,0|2,0,0]=4 17197 B14R1.340 CC(C)CCCCSCC1CC(=O)C1 62a_100009874392_100011216152 [0,1,0,1,0,0|2,0,0]=4 17198 B14R1.340 CC(C)CCCCSCC1CC(=O)C1 62a_100011216152_100009874392 [0,1,0,1,0,0|2,0,0]=4 17199 B14R1.340 NC(=O)CCCCCNC1CC(C1)F 2230a_100016993743_100009817443 [0,1,0,1,0,0|2,0,0]=4 17200 B14R1.340 NC(=O)CCCCCN[C@H]1C[C@@H](C1)O 2230a_100020629032_100009817443 [0,1,0,1,0,0|2,0,0]=4 17201 B14R1.468 CCCN1CCCC(C1)CCC(=O)N 2230a_100011533967_100000210303 [0,1,0,1,0,0|2,0,0]=4 17202 B14R1.468 CCCN1CCCC(C1)CCC(=O)N 269982a_100011533967_100000210303 [0,1,0,1,0,0|2,0,0]=4 17203 B14R1.468 CCCN1CCCC(C1)CCC(=O)N 34a_100011533967_100000210303 [0,1,0,1,0,0|2,0,0]=4 17204 B14R1.519 CCCC(C)CCOC1COC(=O)O1 34a_100011217855_100000032252 [0,1,0,1,0,0|2,0,0]=4 17205 B14R1.519 CCCC(C)CNC[C@H]1CCC(=O)N1 2230a_100015423886_100011216630 [0,1,0,1,0,0|2,0,0]=4 17206 B14R1.519 CCCC(C)CNC[C@H]1CCC(=O)N1 270004a_100015423886_100000243154 [0,1,0,1,0,0|2,0,0]=4 17207 B14R1.519 CCCC(C)CNC[C@H]1CCC(=O)N1 34a_100015423886_100011216630 [0,1,0,1,0,0|2,0,0]=4 17208 B14R1.519 CCCC(C)COCC1CCC(=O)N1 34a_100000737831_100011216630 [0,1,0,1,0,0|2,0,0]=4 17209 B14R1.519 CCCC(C)COCC1CNC(=O)O1 34a_100000688023_100000181169 [0,1,0,1,0,0|2,0,0]=4 17210 B14R1.519 CCCC(C)COCC1CNC(=O)O1 34a_100011315639_100011216630 [0,1,0,1,0,0|2,0,0]=4 17211 B14R1.519 CCCC(C)COCC1CNC(=O)O1 7a_100000688023_100000181169 [0,1,0,1,0,0|2,0,0]=4 17212 B14R1.519 CCCC(C)COCC1COC(=O)O1 34a_100000688023_100000073702 [0,1,0,1,0,0|2,0,0]=4 17213 B14R1.519 CCCC(C)COC[C@@H]1CCC(=O)N1 7a_100000688023_100015189358 [0,1,0,1,0,0|2,0,0]=4 17214 B14R1.519 CCCC(C)CSCC1CNC(=O)O1 62a_100000181169_100011216630 [0,1,0,1,0,0|2,0,0]=4 17215 B14R1.519 CCCC(C)CSCC1CNC(=O)O1 62a_100011216630_100000181169 [0,1,0,1,0,0|2,0,0]=4 17216 B14R1.519 CCCC(C)CSCC1COC(=O)O1 62a_100000073702_100011216630 [0,1,0,1,0,0|2,0,0]=4 17217 B14R1.519 CCCC(C)CSCC1COC(=O)O1 62a_100011216630_100000073702 [0,1,0,1,0,0|2,0,0]=4 17218 B14R1.519 CCCC(C)CSC[C@@H]1CCC(=O)N1 62a_100011216630_100015189358 [0,1,0,1,0,0|2,0,0]=4 17219 B14R1.519 CCCC(C)CSC[C@@H]1CCC(=O)N1 62a_100015189358_100011216630 [0,1,0,1,0,0|2,0,0]=4 17220 B14R1.519 CCC[C@H](N)CCOC1COC(=O)O1 34a_100015193777_100000032252 [0,1,0,1,0,0|2,0,0]=4 17221 B14R1.519 CCC[C@H](N)COCC1CNC(=O)O1 34a_100000732646_100000181169 [0,1,0,1,0,0|2,0,0]=4 17222 B14R1.519 CCC[C@H](N)COCC1COC(=O)O1 34a_100000732646_100000073702 [0,1,0,1,0,0|2,0,0]=4 17223 B14R1.602 CCCC(C)CCOCC1CC(=O)C1 7a_100011217855_100009874392 [0,1,0,1,0,0|2,0,0]=4 17224 B14R1.623 CC(CCO)N1CCCC[C@@H]1C(=O)O 269956a_100000763471_100009893172 [0,1,0,1,0,0|2,0,0]=4 17225 B14R1.623 CCCC(=O)[C@@H]1CCCC[C@H]1C(=O)N 1458a_200009911122_100000210303 [0,1,0,1,0,0|1,0,1]=4 17226 B14R1.623 CCCC(C)N1CCCCC1C(=O)N 2230a_100000181395_100000766640 [0,1,0,1,0,0|2,0,0]=4 17227 B14R1.623 CCCC(C)N1CCCCC1C(=O)N 269982a_100000181395_100000766640 [0,1,0,1,0,0|2,0,0]=4 17228 B14R1.623 CCCC(C)N1CCCCC1C(=O)N 270004a_100000181395_100000211909 [0,1,0,1,0,0|2,0,0]=4 17229 B14R1.623 CCCC(C)N1CCCCC1C(=O)N 34a_100000181395_100000766640 [0,1,0,1,0,0|2,0,0]=4 17230 B14R1.623 CCCC(C)N1CCCC[C@@H]1C(=O)O 269956a_100000763471_100000766640 [0,1,0,1,0,0|1,0,0]=3 17231 B14R1.623 CCCC(C)N1CCOC[C@@H]1C(=O)O 269956a_100016993156_100000766640 [0,1,0,1,0,0|2,0,0]=4 17232 B14R1.623 CCCC(C)N1CCSCC1C(=O)O 269956a_100011346106_100000766640 [0,1,0,1,0,0|2,0,0]=4 17233 B14R1.623 CCCC(C)N1CSCCC1C(=O)O 269956a_100015185162_100000766640 [0,1,0,1,0,0|2,0,0]=4 17234 B14R1.623 COCC(C)N1CCCC[C@@H]1C(=O)O 269956a_100000763471_100000765312 [0,1,0,1,0,0|2,0,0]=4 17235 B14R1.968 CCCC(=O)CN1CCC[C@H]1C(=O)O 269956a_100000743916_100000747444 [0,1,0,1,0,0|1,0,1]=4 17236 B14R1.968 CCCC(C)CN1CCC[C@H]1C(=O)N 2230a_100000003125_100011216630 [0,1,0,1,0,0|2,0,0]=4 17237 B14R1.968 CCCC(C)CN1CCC[C@H]1C(=O)N 270004a_100000003125_100000243154 [0,1,0,1,0,0|2,0,0]=4 17238 B14R1.968 CCCC(C)CN1CCC[C@H]1C(=O)O 269956a_100000743916_100011216630 [0,1,0,1,0,0|1,0,0]=3 17239 B14R1.968 CCCC(C)CN1CCSC1C(=O)O 269956a_100000035718_100011216630 [0,1,0,1,0,0|2,0,0]=4 17240 B14R1.968 CCCC(C)CN1CSC[C@H]1C(=O)O 269956a_100000743924_100011216630 [0,1,0,1,0,0|2,0,0]=4 17241 B14R1.968 COCC(O)CN1CCC[C@H]1C(=O)O 269956a_100000743916_100011215053 [0,1,0,1,0,0|2,0,0]=4 17242 B14R1.4464 CC(=O)CCOC1CCC(CC1C)C 7a_100011539931_100000053229 [0,1,0,1,0,0|2,0,0]=4 17243 B14R1.4464 CC1CCC(C(C1)C)OCCC(=O)N 34a_100011539931_100000731001 [0,1,0,1,0,0|2,0,0]=4 17244 B14R1.4464 CC1CCC(C(C1)C)OCCC(=O)N 7a_100011539931_100000744528 [0,1,0,1,0,0|2,0,0]=4 17245 B14R1.4917 CC(=O)CCCN1CCCC(CC1)C 269982a_100025706717_100011215641 [0,1,0,1,0,0|2,0,0]=4 17246 B14R1.4917 CC(=O)CCCN1CCCC(CC1)C 34a_100025706717_100000685027 [0,1,0,1,0,0|2,0,0]=4 17247 B14R1.4917 CC(=O)CCCN1CCCC(CC1)O 269982a_100015186869_100011215641 [0,1,0,1,0,0|2,0,0]=4 17248 B14R1.4917 CC1CCCN(CC1)CCCC(=O)N 269982a_100025706717_100102525003 [0,1,0,1,0,0|2,0,0]=4 17249 B14R1.4917 CC1CCCN(CC1)CCCC(=O)N 34a_100025706717_100102525003 [0,1,0,1,0,0|2,0,0]=4 17250 B14R1.4917 NC(=O)CCCN1CCCC(CC1)O 269982a_100015186869_100102525003 [0,1,0,1,0,0|2,0,0]=4 17251 B14R1.6452 CC(=O)CCCCNCC(O)C1CC1 34a_100000751198_100009817362 [0,1,0,1,0,0|2,0,0]=4 17252 B14R1.6452 CC(=O)CCCCOC[C@H](N)C1CC1 34a_100020623730_100009817362 [0,1,0,1,0,0|2,0,0]=4 17253 B14R1.6452 CC(NCCCCCC(=O)N)C1CC1 2230a_100000700016_100009817443 [0,1,0,1,0,0|2,0,0]=4 17254 B14R1.6452 CC(NCCCCCC(=O)N)C1CC1 34a_100000700016_100009817443 [0,1,0,1,0,0|2,0,0]=4 17255 B14R1.6452 CC(OCCCCCC(=O)N)C1CC1 34a_100000744524_100009817443 [0,1,0,1,0,0|2,0,0]=4 17256 B14R1.6452 CC(OCCCCCC(=O)N)C1CC1 7a_100000744524_100009817443 [0,1,0,1,0,0|2,0,0]=4 17257 B14R1.16461 CC(=O)CCCCSCC1(CCC1)C 62a_100000726658_100000735457 [0,1,0,1,0,0|2,0,0]=4 17258 B14R1.16461 CC(=O)CCCCSCC1(CCC1)C 62a_100000735457_100000726658 [0,1,0,1,0,0|2,0,0]=4 17259 B14R1.16461 CC1(CCC1)CNCCCCC(=O)N 34a_100000696515_100000726658 [0,1,0,1,0,0|2,0,0]=4 17260 B14R1.16461 CC1(CCC1)CNCCOCC(=O)O 269956a_100000700818_100000726658 [0,1,0,1,0,0|2,0,0]=4 17261 B14R1.16461 CC1(CCC1)COCCCCC(=O)N 34a_100012022536_100000726658 [0,1,0,1,0,0|2,0,0]=4 17262 B14R1.16461 CC1(CCC1)COCCCCC(=O)N 7a_100012022536_100000726658 [0,1,0,1,0,0|2,0,0]=4 17263 B14R1.16461 CC1(CCC1)NCCCCCC(=O)N 2230a_100000692455_100009817443 [0,1,0,1,0,0|2,0,0]=4 17264 B14R1.16461 CC1(CCC1)NCCCCCC(=O)N 34a_100000692455_100009817443 [0,1,0,1,0,0|2,0,0]=4 17265 B14R1.16461 CC1(CCC1)OCCCCCC(=O)N 34a_100000759064_100009817443 [0,1,0,1,0,0|2,0,0]=4 17266 B14R1.16461 CC1(CCC1)OCCCCCC(=O)N 7a_100000759064_100009817443 [0,1,0,1,0,0|2,0,0]=4 17267 B14R1.34 CCCCC(C)OC1CCCC(=O)C1 34a_100012613340_200011215066 [0,1,0,1,0,0|2,0,0]=4 17268 B14R1.128 CC(=O)CCCCOC1CCC(C1)C 34a_100000698185_100009817362 [0,1,0,1,0,0|2,0,0]=4 17269 B14R1.128 CC(C)CCCCOC1CCC(=O)C1 34a_100012614533_100011216152 [0,1,0,1,0,0|2,0,0]=4 17270 B14R1.128 CC(C)CCCCOC1COC(=O)O1 34a_100011214890_100000032252 [0,1,0,1,0,0|2,0,0]=4 17271 B14R1.128 CC(C)CCCCSC1COC(=O)O1 62a_100011216152_100000032252 [0,1,0,1,0,0|2,0,0]=4 17272 B14R1.128 CC(C)CCCNCC1CNC(=O)O1 2230a_200000737386_100000181169 [0,1,0,1,0,0|2,0,0]=4 17273 B14R1.128 CC(C)CCCNCC1CNC(=O)O1 34a_200000737386_100000181169 [0,1,0,1,0,0|2,0,0]=4 17274 B14R1.128 CC(C)CCCNCC1COC(=O)O1 34a_200000737386_100000073702 [0,1,0,1,0,0|2,0,0]=4 17275 B14R1.128 CC(C)CCCNC[C@@H]1CCC(=O)N1 2230a_200000737386_100015189358 [0,1,0,1,0,0|2,0,0]=4 17276 B14R1.128 CC(C)CCCNC[C@H]1CCC(=O)N1 2230a_100015423886_100011214892 [0,1,0,1,0,0|2,0,0]=4 17277 B14R1.128 CC(C)CCCNC[C@H]1CCC(=O)N1 34a_100015423886_100011214892 [0,1,0,1,0,0|2,0,0]=4 17278 B14R1.128 CC(C)CCCOCC1CCC(=O)N1 34a_100000737831_100011214892 [0,1,0,1,0,0|2,0,0]=4 17279 B14R1.128 CC(C)CCCOCC1CNC(=O)O1 34a_100000210774_100000181169 [0,1,0,1,0,0|2,0,0]=4 17280 B14R1.128 CC(C)CCCOCC1CNC(=O)O1 34a_100011315639_100011214892 [0,1,0,1,0,0|2,0,0]=4 17281 B14R1.128 CC(C)CCCOCC1CNC(=O)O1 7a_100000210774_100000181169 [0,1,0,1,0,0|2,0,0]=4 17282 B14R1.128 CC(C)CCCOCC1COC(=O)O1 34a_100000210774_100000073702 [0,1,0,1,0,0|2,0,0]=4 17283 B14R1.128 CC(C)CCCOC[C@@H]1CCC(=O)N1 7a_100000210774_100015189358 [0,1,0,1,0,0|2,0,0]=4 17284 B14R1.128 CC(C)CCCSCC1CNC(=O)O1 62a_100000181169_100011214892 [0,1,0,1,0,0|2,0,0]=4 17285 B14R1.128 CC(C)CCCSCC1CNC(=O)O1 62a_100011214892_100000181169 [0,1,0,1,0,0|2,0,0]=4 17286 B14R1.128 CC(C)CCCSCC1COC(=O)O1 62a_100000073702_100011214892 [0,1,0,1,0,0|2,0,0]=4 17287 B14R1.128 CC(C)CCCSCC1COC(=O)O1 62a_100011214892_100000073702 [0,1,0,1,0,0|2,0,0]=4 17288 B14R1.128 CC(C)CCCSC[C@@H]1CCC(=O)N1 62a_100011214892_100015189358 [0,1,0,1,0,0|2,0,0]=4 17289 B14R1.128 CC(C)CCCSC[C@@H]1CCC(=O)N1 62a_100015189358_100011214892 [0,1,0,1,0,0|2,0,0]=4 17290 B14R1.128 CC(O)CCCNC[C@H]1CCC(=O)N1 2230a_100015423886_200000718107 [0,1,0,1,0,0|2,0,0]=4 17291 B14R1.128 CC(O)CCCNC[C@H]1CCC(=O)N1 34a_100015423886_200000718107 [0,1,0,1,0,0|2,0,0]=4 17292 B14R1.128 CC(O)CCCOCC1CCC(=O)N1 34a_100000737831_200000718107 [0,1,0,1,0,0|2,0,0]=4 17293 B14R1.128 CC(O)CCCOCC1CNC(=O)O1 34a_100011315639_200000718107 [0,1,0,1,0,0|2,0,0]=4 17294 B14R1.128 CC(O)CCCSCC1CNC(=O)O1 62a_100000181169_200000718107 [0,1,0,1,0,0|2,0,0]=4 17295 B14R1.128 CC(O)CCCSCC1CNC(=O)O1 62a_200000718107_100000181169 [0,1,0,1,0,0|2,0,0]=4 17296 B14R1.128 CC(O)CCCSCC1COC(=O)O1 62a_100000073702_200000718107 [0,1,0,1,0,0|2,0,0]=4 17297 B14R1.128 CC(O)CCCSCC1COC(=O)O1 62a_200000718107_100000073702 [0,1,0,1,0,0|2,0,0]=4 17298 B14R1.128 CC(O)CCCSC[C@@H]1CCC(=O)N1 62a_100015189358_200000718107 [0,1,0,1,0,0|2,0,0]=4 17299 B14R1.128 CC(O)CCCSC[C@@H]1CCC(=O)N1 62a_200000718107_100015189358 [0,1,0,1,0,0|2,0,0]=4 17300 B14R1.128 CC1CCC(C1)NCCCCC(=O)N 270004a_100000696515_100011215218 [0,1,0,1,0,0|2,0,0]=4 17301 B14R1.128 C[C@@H]1CCN(C1)CCCCCC(=O)N 2230a_100016987628_100009817443 [0,1,0,1,0,0|2,0,0]=4 17302 B14R1.128 C[C@@H]1CCN(C1)CCCCCC(=O)N 269982a_100016987628_100009817443 [0,1,0,1,0,0|2,0,0]=4 17303 B14R1.128 C[C@@H]1CCN(C1)CCCCCC(=O)N 34a_100016987628_100009817443 [0,1,0,1,0,0|2,0,0]=4 17304 B14R1.128 NC(=O)CCCCCN1CCC(C1)O 2230a_100011215560_100009817443 [0,1,0,1,0,0|2,0,0]=4 17305 B14R1.128 NC(=O)CCCCCN1CCC(C1)O 269982a_100011215560_100009817443 [0,1,0,1,0,0|2,0,0]=4 17306 B14R1.128 NC(=O)CCCCCN1CC[C@@H](C1)F 2230a_100015203821_100009817443 [0,1,0,1,0,0|2,0,0]=4 17307 B14R1.128 NC(=O)CCCCCN1CC[C@@H](C1)F 269982a_100015203821_100009817443 [0,1,0,1,0,0|2,0,0]=4 17308 B14R1.128 NC(=O)CCCCCN1CC[C@@H](C1)F 34a_100015203821_100009817443 [0,1,0,1,0,0|2,0,0]=4 17309 B14R1.128 NC(=O)CCCCNC1CCC(C1)O 270004a_100000696515_100012614533 [0,1,0,1,0,0|2,0,0]=4 17310 B14R1.155 CCCCC(C)COC1COC(=O)O1 34a_100011995851_100000032252 [0,1,0,1,0,0|2,0,0]=4 17311 B14R1.155 CCCCC(C)NCC1CNC(=O)O1 2230a_100000126638_100000181169 [0,1,0,1,0,0|2,0,0]=4 17312 B14R1.155 CCCCC(C)NC[C@@H]1CCC(=O)N1 2230a_100000126638_100015189358 [0,1,0,1,0,0|2,0,0]=4 17313 B14R1.155 CCCCC(C)NC[C@H]1CCC(=O)N1 2230a_100015423886_200011215066 [0,1,0,1,0,0|2,0,0]=4 17314 B14R1.155 CCCCC(C)NC[C@H]1CCC(=O)N1 270004a_100015423886_100000210087 [0,1,0,1,0,0|2,0,0]=4 17315 B14R1.155 CCCCC(C)NC[C@H]1CCC(=O)N1 34a_100015423886_200011215066 [0,1,0,1,0,0|2,0,0]=4 17316 B14R1.155 CCCCC(C)OCC1CCC(=O)N1 34a_100000737831_200011215066 [0,1,0,1,0,0|2,0,0]=4 17317 B14R1.155 CCCCC(C)OCC1CNC(=O)O1 34a_100000687866_100000181169 [0,1,0,1,0,0|2,0,0]=4 17318 B14R1.155 CCCCC(C)OCC1CNC(=O)O1 34a_100011315639_200011215066 [0,1,0,1,0,0|2,0,0]=4 17319 B14R1.155 CCCCC(C)OCC1CNC(=O)O1 7a_100000687866_100000181169 [0,1,0,1,0,0|2,0,0]=4 17320 B14R1.155 CCCCC(C)OCC1COC(=O)O1 34a_100000687866_100000073702 [0,1,0,1,0,0|2,0,0]=4 17321 B14R1.155 CCCCC(C)OC[C@@H]1CCC(=O)N1 7a_100000687866_100015189358 [0,1,0,1,0,0|2,0,0]=4 17322 B14R1.155 CCCCC(C)SCC1CNC(=O)O1 62a_100000181169_200011215066 [0,1,0,1,0,0|2,0,0]=4 17323 B14R1.155 CCCCC(C)SCC1CNC(=O)O1 62a_200011215066_100000181169 [0,1,0,1,0,0|2,0,0]=4 17324 B14R1.155 CCCCC(C)SCC1COC(=O)O1 62a_100000073702_200011215066 [0,1,0,1,0,0|2,0,0]=4 17325 B14R1.155 CCCCC(C)SCC1COC(=O)O1 62a_200011215066_100000073702 [0,1,0,1,0,0|2,0,0]=4 17326 B14R1.155 CCCCC(C)SC[C@@H]1CCC(=O)N1 62a_100015189358_200011215066 [0,1,0,1,0,0|2,0,0]=4 17327 B14R1.155 CCCCC(C)SC[C@@H]1CCC(=O)N1 62a_200011215066_100015189358 [0,1,0,1,0,0|2,0,0]=4 17328 B14R1.155 CCCC[C@H](N)COC1COC(=O)O1 34a_100011934283_100000032252 [0,1,0,1,0,0|2,0,0]=4 17329 B14R1.778 CCCCN1CCCC(C1)CC(=O)O 269956a_100015207179_100000210211 [0,1,0,1,0,0|1,0,0]=3 17330 B14R1.778 CCCCN1CCOC(C1)CC(=O)O 269956a_100015183369_100000210211 [0,1,0,1,0,0|2,0,0]=4 17331 B14R1.778 CCOCN1CCCC(C1)CC(=O)O 269956a_100015207179_100000739092 [0,1,0,1,0,0|2,0,0]=4 17332 B14R1.778 COCCN1CCCC(C1)CC(=O)O 269956a_100015207179_100000233755 [0,1,0,1,0,0|2,0,0]=4 17333 B14R1.778 CSCCN1CCCC(C1)CC(=O)O 269956a_100015207179_100000212216 [0,1,0,1,0,0|2,0,0]=4 17334 B14R1.778 O=C(O)CC1CCCN(C1)CCCF 269956a_100015207179_100011934791 [0,1,0,1,0,0|2,0,0]=4 17335 B14R1.778 O=C(O)CC1CCCN(C1)CCCO 269956a_100015207179_100011215043 [0,1,0,1,0,0|2,0,0]=4 17336 B14R1.873 CCC1CN(C1)CCCCCC(=O)N 2230a_100015205115_100009817443 [0,1,0,1,0,0|2,0,0]=4 17337 B14R1.873 CCC1CN(C1)CCCCCC(=O)N 269982a_100015205115_100009817443 [0,1,0,1,0,0|2,0,0]=4 17338 B14R1.937 CCCCC(C)COCC1CC(=O)C1 7a_100011995851_100009874392 [0,1,0,1,0,0|2,0,0]=4 17339 B14R1.942 CCCCC(C)N1CCC[C@H]1C(=O)N 2230a_100000003125_200011215066 [0,1,0,1,0,0|2,0,0]=4 17340 B14R1.942 CCCCC(C)N1CCC[C@H]1C(=O)N 270004a_100000003125_100000210087 [0,1,0,1,0,0|2,0,0]=4 17341 B14R1.942 CCCCC(C)N1CCC[C@H]1C(=O)O 269956a_100000743916_200011215066 [0,1,0,1,0,0|1,0,0]=3 17342 B14R1.942 CCCCC(C)N1CCSC1C(=O)O 269956a_100000035718_200011215066 [0,1,0,1,0,0|2,0,0]=4 17343 B14R1.942 CCCCC(C)N1CSC[C@H]1C(=O)O 269956a_100000743924_200011215066 [0,1,0,1,0,0|2,0,0]=4 17344 B14R1.5900 CC1CC1C(=O)CCCCCC(=O)N 1458a_100000211227_100009817443 [0,1,0,1,0,0|1,0,1]=4 17345 B14R1.6072 CC(=O)CCOC1CC(CCC1C)C 7a_100011217446_100000053229 [0,1,0,1,0,0|2,0,0]=4 17346 B14R1.6072 CC1CCC(C(C1)NCCC(=O)N)C 269862a_100000740010_100000034887 [0,1,0,1,0,0|2,0,0]=4 17347 B14R1.6072 CC1CCC(C(C1)OCCC(=O)N)C 34a_100011217446_100000731001 [0,1,0,1,0,0|2,0,0]=4 17348 B14R1.6072 CC1CCC(C(C1)OCCC(=O)N)C 7a_100011217446_100000744528 [0,1,0,1,0,0|2,0,0]=4 17349 B14R1.6403 CC(=O)CCCCNC(C)C1CCC1 34a_100016994624_100009817362 [0,1,0,1,0,0|2,0,0]=4 17350 B14R1.6403 CC(=O)CCCCOC(C)C1CCC1 34a_100000766398_100009817362 [0,1,0,1,0,0|2,0,0]=4 17351 B14R1.6403 CC(=O)CCCCOC(C)C1CCC1 7a_100000766398_100000735457 [0,1,0,1,0,0|2,0,0]=4 17352 B14R1.6403 CC(NCCCCC(=O)N)C1CCC1 269862a_100000696515_100000760154 [0,1,0,1,0,0|2,0,0]=4 17353 B14R1.6403 CN(CCCCCC(=O)N)C1CCC1 2230a_100000758072_100009817443 [0,1,0,1,0,0|2,0,0]=4 17354 B14R1.6403 CN(CCCCCC(=O)N)C1CCC1 269982a_100000758072_100009817443 [0,1,0,1,0,0|2,0,0]=4 17355 B14R1.6403 CN(CCCCCC(=O)N)C1CCC1 34a_100000758072_100009817443 [0,1,0,1,0,0|2,0,0]=4 17356 B14R1.6403 NC(=O)CCCCCC(=O)C1CCC1 1458a_100000209988_100009817443 [0,1,0,1,0,0|1,0,1]=4 17357 B14R1.6405 CC(CC1CC1)NCCCCC(=O)N 270004a_100000696515_200000686933 [0,1,0,1,0,0|2,0,0]=4 17358 B14R1.6405 CN(CCCCCC(=O)N)CC1CC1 2230a_100000741881_100009817443 [0,1,0,1,0,0|2,0,0]=4 17359 B14R1.6405 CN(CCCCCC(=O)N)CC1CC1 269982a_100000741881_100009817443 [0,1,0,1,0,0|2,0,0]=4 17360 B14R1.6405 NC(=O)CCCCCC(=O)CC1CC1 1458a_100000738066_100009817443 [0,1,0,1,0,0|1,0,1]=4 17361 B14R1.9532 CC(=O)CCCCN1C(CCC1C)C 269982a_100000687148_100000735457 [0,1,0,1,0,0|2,0,0]=4 17362 B14R1.9532 CC(=O)CCCCN1C(CCC1C)C 34a_100000687148_100009817362 [0,1,0,1,0,0|2,0,0]=4 17363 B14R1.16361 CC(=O)CCCCOC1(CCCC1)C 34a_100000751722_100009817362 [0,1,0,1,0,0|2,0,0]=4 17364 B14R1.16361 CC(=O)CCCCOC1(CCCC1)C 7a_100000751722_100000735457 [0,1,0,1,0,0|2,0,0]=4 17365 B14R1.16361 CC(=O)CCCOCC1(CCCC1)N 34a_100000749328_100000685027 [0,1,0,1,0,0|2,0,0]=4 17366 B14R1.16361 NC(=O)CCCOCC1(CCCC1)N 34a_100000749328_100102525003 [0,1,0,1,0,0|2,0,0]=4 17367 B14R1.16361 NC(=O)CCNCCC1(CCCC1)O 34a_100000719956_100000731001 [0,1,0,1,0,0|2,0,0]=4 17368 B14R1.9 CCCCNCC1CCCC(=O)N1C 2230a_200010383782_100000210211 [0,1,0,1,0,0|2,0,0]=4 17369 B14R1.9 CCCCNCC1CCCC(=O)N1C 34a_200010383782_100000210210 [0,1,0,1,0,0|2,0,0]=4 17370 B14R1.14 CCCCCCNC1CCC(=O)NC1 2230a_100000748762_100000210314 [0,1,0,1,0,0|2,0,0]=4 17371 B14R1.14 CCCCCCNC1CCC(=O)NC1 34a_100000748762_100000210314 [0,1,0,1,0,0|2,0,0]=4 17372 B14R1.14 CCCCCCOC1CCC(=O)CC1 34a_100000764474_100000210314 [0,1,0,1,0,0|2,0,0]=4 17373 B14R1.14 CCCCCCOC1CCC(=O)CC1 7a_100000764474_100000210314 [0,1,0,1,0,0|2,0,0]=4 17374 B14R1.14 CCCCCCOC1CCC(=O)NC1 34a_100000079199_100000210314 [0,1,0,1,0,0|2,0,0]=4 17375 B14R1.14 CCCCCOCC1CCC(=O)CC1 34a_100000062911_100000718602 [0,1,0,1,0,0|2,0,0]=4 17376 B14R1.109 CCC1CCCC1NCCC(=O)NC 269862a_100000738227_100000749056 [0,1,0,1,0,0|2,0,0]=4 17377 B14R1.109 CCC1CCCC1NCCC(=O)NC 270004a_100000738227_100000749056 [0,1,0,1,0,0|2,0,0]=4 17378 B14R1.109 CCC1CCCN1CCCC(=O)NC 2230a_100000754278_100000741757 [0,1,0,1,0,0|2,0,0]=4 17379 B14R1.109 CCC1CCCN1CCCC(=O)NC 269982a_100000754278_100000741757 [0,1,0,1,0,0|2,0,0]=4 17380 B14R1.109 CCC1CCCN1CCCC(=O)NC 34a_100000754278_100000741757 [0,1,0,1,0,0|2,0,0]=4 17381 B14R1.109 CCC1CCCN1CCCC(=O)OC 2230a_100000754278_100011218270 [0,1,0,1,0,0|1,0,0]=3 17382 B14R1.109 CCC1CCCN1CCCC(=O)OC 269982a_100000754278_100011218270 [0,1,0,1,0,0|1,0,0]=3 17383 B14R1.109 CCC1CCCN1CCCC(=O)OC 34a_100000754278_100000742333 [0,1,0,1,0,0|1,0,0]=3 17384 B14R1.109 CCN1CCCC1CNCC(=O)OC 2230a_100000211693_100000747449 [0,1,0,1,0,0|2,0,0]=4 17385 B14R1.109 CCN1CCC[C@@H]1COCC(=O)OC 34a_100011739246_100000747449 [0,1,0,1,0,0|2,0,0]=4 17386 B14R1.109 CCN1CCC[C@@H]1COCC(=O)OC 7a_100011739246_100000747449 [0,1,0,1,0,0|2,0,0]=4 17387 B14R1.109 COC(=O)CCCN1CCC[C@@H]1CO 2230a_100000745186_100011218270 [0,1,0,1,0,0|2,0,0]=4 17388 B14R1.109 COC(=O)CCCN1CCC[C@@H]1CO 269982a_100000745186_100011218270 [0,1,0,1,0,0|2,0,0]=4 17389 B14R1.109 COC(=O)CCCN1CCC[C@@H]1CO 34a_100000745186_100000742333 [0,1,0,1,0,0|2,0,0]=4 17390 B14R1.229 CCCCCCCCNC1CCC1=O 34a_100000229939_100009892977 [0,1,0,1,0,0|2,0,0]=4 17391 B14R1.229 CCCCCCCCOC1CCC1=O 34a_100000210232_100009892977 [0,1,0,1,0,0|2,0,0]=4 17392 B14R1.229 CCCCCCCCOC1CCC1=O 7a_100000210232_100009892977 [0,1,0,1,0,0|2,0,0]=4 17393 B14R1.229 CCCCCCCCSC1CCC1=O 62a_100000210759_100009892977 [0,1,0,1,0,0|2,0,0]=4 17394 B14R1.229 CCCCCCCCSC1CCC1=O 62a_100009892977_100000210317 [0,1,0,1,0,0|2,0,0]=4 17395 B14R1.229 CCCCCCNCCC1CCC1=O 2230a_100000210581_200016118888 [0,1,0,1,0,0|2,0,0]=4 17396 B14R1.229 CCCCCCOCCC1CCC1=O 7a_100000210259_200016118888 [0,1,0,1,0,0|2,0,0]=4 17397 B14R1.229 CCCCCCSCCC1CCC1=O 62a_100000210314_200016118888 [0,1,0,1,0,0|2,0,0]=4 17398 B14R1.229 CCCCCCSCCC1CCC1=O 62a_200016118888_100000210757 [0,1,0,1,0,0|2,0,0]=4 17399 B14R1.259 COCC1CCN1CCCC(=O)OC 2230a_100015195929_100011218270 [0,1,0,1,0,0|2,0,0]=4 17400 B14R1.259 COCC1CCN1CCCC(=O)OC 269982a_100015195929_100011218270 [0,1,0,1,0,0|2,0,0]=4 17401 B14R1.259 COCC1CCN1CCCC(=O)OC 34a_100015195929_100000742333 [0,1,0,1,0,0|2,0,0]=4 17402 B14R1.272 CCCC1CCCC1NCC(=O)NC 269862a_100000693194_100000723119 [0,1,0,1,0,0|2,0,0]=4 17403 B14R1.272 CCCC1CCCC1NCC(=O)NC 270004a_100000693194_100000723119 [0,1,0,1,0,0|2,0,0]=4 17404 B14R1.272 COC[C@@H]1CCCN1CCC(=O)OC 2230a_100020646714_100000204255 [0,1,0,1,0,0|2,0,0]=4 17405 B14R1.272 COC[C@@H]1CCCN1CCC(=O)OC 269982a_100020646714_100000204255 [0,1,0,1,0,0|2,0,0]=4 17406 B14R1.272 COC[C@@H]1CCCN1CCC(=O)OC 34a_100020646714_100000742370 [0,1,0,1,0,0|2,0,0]=4 17407 B14R1.483 CCCC1CCCCN1CC(=O)CC 269982a_100000701414_100000747405 [0,1,0,1,0,0|2,0,0]=4 17408 B14R1.483 CCCC1CCCCN1CC(=O)NC 2230a_100000701414_100000183359 [0,1,0,1,0,0|2,0,0]=4 17409 B14R1.483 CCCC1CCCCN1CC(=O)NC 269982a_100000701414_100000183359 [0,1,0,1,0,0|2,0,0]=4 17410 B14R1.483 CCCC1CCCCN1CC(=O)NC 34a_100000701414_100000183359 [0,1,0,1,0,0|2,0,0]=4 17411 B14R1.483 CCCC1CCCCN1CC(=O)OC 2230a_100000701414_100000747449 [0,1,0,1,0,0|1,0,0]=3 17412 B14R1.483 CCCC1CCCCN1CC(=O)OC 269982a_100000701414_100000747449 [0,1,0,1,0,0|1,0,0]=3 17413 B14R1.483 CCCC1CCCCN1CC(=O)OC 34a_100000701414_100000747449 [0,1,0,1,0,0|1,0,0]=3 17414 B14R1.483 CCCC1COCCN1CC(=O)OC 2230a_102495339903_100000747449 [0,1,0,1,0,0|2,0,0]=4 17415 B14R1.483 CCCC1COCCN1CC(=O)OC 269982a_102495339903_100000747449 [0,1,0,1,0,0|2,0,0]=4 17416 B14R1.483 CCCC1COCCN1CC(=O)OC 34a_102495339903_100000747449 [0,1,0,1,0,0|2,0,0]=4 17417 B14R1.483 CCCN1CCOCC1CC(=O)OC 2230a_100000731486_100000210303 [0,1,0,1,0,0|2,0,0]=4 17418 B14R1.483 CCCN1CCOCC1CC(=O)OC 34a_100000731486_100000210303 [0,1,0,1,0,0|2,0,0]=4 17419 B14R1.483 COC(=O)CN1CCCCC1CCO 2230a_100000211664_100000747449 [0,1,0,1,0,0|2,0,0]=4 17420 B14R1.483 COC(=O)CN1CCCCC1CCO 269982a_100000211664_100000747449 [0,1,0,1,0,0|2,0,0]=4 17421 B14R1.483 COC(=O)CN1CCCCC1CCO 34a_100000211664_100000747449 [0,1,0,1,0,0|2,0,0]=4 17422 B14R1.483 COCC1CCCCN1CC(=O)OC 2230a_100015184032_100000747449 [0,1,0,1,0,0|2,0,0]=4 17423 B14R1.483 COCC1CCCCN1CC(=O)OC 269982a_100015184032_100000747449 [0,1,0,1,0,0|2,0,0]=4 17424 B14R1.483 COCC1CCCCN1CC(=O)OC 34a_100015184032_100000747449 [0,1,0,1,0,0|2,0,0]=4 17425 B14R1.716 C=CC(=O)NCCCC1CCCCC1 1626a_100011211642_100000185746 [0,1,0,1,0,0|2,0,0]=4 17426 B14R1.716 C=CC(=O)NCCCC1CCCCC1 240690a_100011211642_200121576911 [0,1,0,1,0,0|2,0,0]=4 17427 B14R1.716 CCC(=O)CCCCC1CCCCC1 1458a_200011215547_100000210202 [0,1,0,1,0,0|1,0,0]=3 17428 B14R1.716 CCC(=O)CCCCN1CCCCC1 1458a_100000754417_100000210202 [0,1,0,1,0,0|2,0,0]=4 17429 B14R1.716 CCC(=O)COCCC1CCCCC1 34a_100000725409_100011209188 [0,1,0,1,0,0|2,0,0]=4 17430 B14R1.716 CCC(=O)COCCC1CCCCC1 7a_100011217863_100000747405 [0,1,0,1,0,0|2,0,0]=4 17431 B14R1.716 CCC(=O)CSCCC1CCCCC1 62a_100000747405_100012355289 [0,1,0,1,0,0|2,0,0]=4 17432 B14R1.716 CCC(=O)CSCCC1CCCCC1 62a_100012355289_100000747405 [0,1,0,1,0,0|2,0,0]=4 17433 B14R1.716 CCC(=O)NCCCC1CCCCC1 11a_100011211642_100000210414 [0,1,0,1,0,0|2,0,0]=4 17434 B14R1.716 CCC(=O)NCCCC1CCCCC1 1626a_100011211642_100000210414 [0,1,0,1,0,0|2,0,0]=4 17435 B14R1.716 CCC(=O)NCCCC1CCCCC1 240690a_100011211642_100000210414 [0,1,0,1,0,0|2,0,0]=4 17436 B14R1.716 CCC(=O)NCCCC1CCCCC1 527a_100011211642_100000210414 [0,1,0,1,0,0|2,0,0]=4 17437 B14R1.716 CNC(=O)CCCCC1CCCCC1 11a_106832991635_200011215547 [0,1,0,1,0,0|1,0,0]=3 17438 B14R1.716 CNC(=O)CCCCC1CCCCC1 1626a_100102657272_200011215547 [0,1,0,1,0,0|1,0,0]=3 17439 B14R1.716 CNC(=O)CCCCC1CCCCC1 240690a_100102657272_200011215547 [0,1,0,1,0,0|1,0,0]=3 17440 B14R1.716 CNC(=O)CCCCC1CCCCC1 527a_100102657272_200011215547 [0,1,0,1,0,0|1,0,0]=3 17441 B14R1.716 CNC(=O)CCCCN1CCCCC1 11a_106832991635_100000754417 [0,1,0,1,0,0|2,0,0]=4 17442 B14R1.716 CNC(=O)CCCCN1CCCCC1 240690a_100102657272_100000754417 [0,1,0,1,0,0|2,0,0]=4 17443 B14R1.716 CNC(=O)CCCNC1CCCCC1 2230a_100000182618_100000741757 [0,1,0,1,0,0|2,0,0]=4 17444 B14R1.716 CNC(=O)CCCNC1CCCCC1 270004a_100000740002_100000210434 [0,1,0,1,0,0|2,0,0]=4 17445 B14R1.716 CNC(=O)CCCNC1CCCCC1 34a_100000182618_100000741757 [0,1,0,1,0,0|2,0,0]=4 17446 B14R1.716 CNC(=O)CCCNC1CCCCC1 34a_100000740002_100000210327 [0,1,0,1,0,0|2,0,0]=4 17447 B14R1.716 CNC(=O)CCCOC1CCCCC1 34a_100000210231_100000741757 [0,1,0,1,0,0|2,0,0]=4 17448 B14R1.716 CNC(=O)CCCOC1CCCCC1 7a_100000210231_100000741757 [0,1,0,1,0,0|2,0,0]=4 17449 B14R1.716 CNC(=O)CCCSC1CCCCC1 62a_100000210327_100000741757 [0,1,0,1,0,0|2,0,0]=4 17450 B14R1.716 CNC(=O)CCCSC1CCCCC1 62a_100000741757_100000210327 [0,1,0,1,0,0|2,0,0]=4 17451 B14R1.716 CNC(=O)CCNCC1CCCCC1 2230a_100000210473_100000737683 [0,1,0,1,0,0|2,0,0]=4 17452 B14R1.716 CNC(=O)CCNCC1CCCCC1 2230a_100000738227_100000211423 [0,1,0,1,0,0|2,0,0]=4 17453 B14R1.716 CNC(=O)CCNCC1CCCCC1 269862a_100000738227_100000211278 [0,1,0,1,0,0|2,0,0]=4 17454 B14R1.716 CNC(=O)CCNCC1CCCCC1 34a_100000210473_100012179268 [0,1,0,1,0,0|2,0,0]=4 17455 B14R1.716 CNC(=O)CCNCC1CCCCC1 34a_100000738227_100000211423 [0,1,0,1,0,0|2,0,0]=4 17456 B14R1.716 CNC(=O)CCOCC1CCCCC1 34a_100000212181_100012179268 [0,1,0,1,0,0|2,0,0]=4 17457 B14R1.716 CNC(=O)CCOCC1CCCCC1 34a_100000754576_100000211423 [0,1,0,1,0,0|2,0,0]=4 17458 B14R1.716 CNC(=O)CCOCC1CCCCC1 7a_100000212181_100000737683 [0,1,0,1,0,0|2,0,0]=4 17459 B14R1.716 CNC(=O)CCSCC1CCCCC1 62a_100000211423_100000737683 [0,1,0,1,0,0|2,0,0]=4 17460 B14R1.716 CNC(=O)CCSCC1CCCCC1 62a_100000737683_100000211423 [0,1,0,1,0,0|2,0,0]=4 17461 B14R1.716 CNC(=O)CNCCC1CCCCC1 2230a_100000693194_100012355289 [0,1,0,1,0,0|2,0,0]=4 17462 B14R1.716 CNC(=O)CNCCC1CCCCC1 2230a_100000738074_100000183359 [0,1,0,1,0,0|2,0,0]=4 17463 B14R1.716 CNC(=O)CNCCC1CCCCC1 270004a_100000693194_100011713444 [0,1,0,1,0,0|2,0,0]=4 17464 B14R1.716 CNC(=O)CNCCC1CCCCC1 34a_100000738074_100000183359 [0,1,0,1,0,0|2,0,0]=4 17465 B14R1.716 CNC(=O)COCCC1CCCCC1 34a_100000750040_100011209188 [0,1,0,1,0,0|2,0,0]=4 17466 B14R1.716 CNC(=O)COCCC1CCCCC1 34a_100011217863_100000183359 [0,1,0,1,0,0|2,0,0]=4 17467 B14R1.716 CNC(=O)COCCC1CCCCC1 7a_100011217863_100000183359 [0,1,0,1,0,0|2,0,0]=4 17468 B14R1.716 CNC(=O)CSCCC1CCCCC1 62a_100000183359_100012355289 [0,1,0,1,0,0|2,0,0]=4 17469 B14R1.716 CNC(=O)CSCCC1CCCCC1 62a_100012355289_100000183359 [0,1,0,1,0,0|2,0,0]=4 17470 B14R1.716 CNC(=O)NCCCC1CCCCC1 2708a_100011211642_106832991635 [0,1,0,1,0,0|2,0,0]=4 17471 B14R1.716 CNC(=O)NCCCC1CCCCC1 2708a_100102657272_100011211642 [0,1,0,1,0,0|2,0,0]=4 17472 B14R1.716 CNC(=O)NCCCC1CCCCC1 273464a_100011211642_100102657272 [0,1,0,1,0,0|2,0,0]=4 17473 B14R1.716 CNC(=O)NCCCC1CCCCC1 273464a_100102657272_100011211642 [0,1,0,1,0,0|2,0,0]=4 17474 B14R1.716 CNC(=O)NCCCC1CCCCC1 512a_100011211642_100102657272 [0,1,0,1,0,0|2,0,0]=4 17475 B14R1.716 CNC(=O)NCCCC1CCCCC1 512a_106832991638_100011211642 [0,1,0,1,0,0|2,0,0]=4 17476 B14R1.716 COC(=O)CCCCN1CCCOC1 2230a_100000131196_100000204269 [0,1,0,1,0,0|2,0,0]=4 17477 B14R1.716 COC(=O)CCCCN1CCCOC1 269982a_100000131196_100000204269 [0,1,0,1,0,0|2,0,0]=4 17478 B14R1.716 COC(=O)CCCCN1CCCOC1 34a_100000131196_100000204269 [0,1,0,1,0,0|2,0,0]=4 17479 B14R1.716 COC(=O)CCCCN1CCOCC1 2230a_100015191051_100000204269 [0,1,0,1,0,0|2,0,0]=4 17480 B14R1.716 COC(=O)CCCCN1CCOCC1 269982a_100015191051_100000204269 [0,1,0,1,0,0|2,0,0]=4 17481 B14R1.716 COC(=O)CCCCN1CCOCC1 34a_100015191051_100000204269 [0,1,0,1,0,0|2,0,0]=4 17482 B14R1.716 COC(=O)CCCCN1CCSCC1 2230a_100000737611_100000204269 [0,1,0,1,0,0|2,0,0]=4 17483 B14R1.716 COC(=O)CCCCN1CCSCC1 269982a_100000737611_100000204269 [0,1,0,1,0,0|2,0,0]=4 17484 B14R1.716 COC(=O)CCCNC1CCCCC1 2230a_100000182618_100011218270 [0,1,0,1,0,0|1,0,0]=3 17485 B14R1.716 COC(=O)CCCNC1CCCCC1 34a_100000182618_100000742333 [0,1,0,1,0,0|1,0,0]=3 17486 B14R1.716 COC(=O)CCCNC1CCCOC1 2230a_100000719290_100011218270 [0,1,0,1,0,0|2,0,0]=4 17487 B14R1.716 COC(=O)CCCNC1CCCOC1 34a_100000719290_100000742333 [0,1,0,1,0,0|2,0,0]=4 17488 B14R1.716 COC(=O)CCCNC1CCOCC1 2230a_100000741149_100011218270 [0,1,0,1,0,0|2,0,0]=4 17489 B14R1.716 COC(=O)CCCNC1CCOCC1 34a_100000741149_100000742333 [0,1,0,1,0,0|2,0,0]=4 17490 B14R1.716 COC(=O)CCCNC1CCSCC1 2230a_100000748639_100011218270 [0,1,0,1,0,0|2,0,0]=4 17491 B14R1.716 COC(=O)CCCNC1CCSCC1 34a_100000748639_100000742333 [0,1,0,1,0,0|2,0,0]=4 17492 B14R1.716 COC(=O)CCCOC1CCCCC1 34a_100000210231_100000742333 [0,1,0,1,0,0|1,0,0]=3 17493 B14R1.716 COC(=O)CCCOC1CCCCC1 7a_100000210231_100011218270 [0,1,0,1,0,0|1,0,0]=3 17494 B14R1.716 COC(=O)CCCOC1CCCCO1 34a_100000033831_100000742333 [0,1,0,1,0,0|2,0,0]=4 17495 B14R1.716 COC(=O)CCCOC1CCCOC1 34a_100000754041_100000742333 [0,1,0,1,0,0|2,0,0]=4 17496 B14R1.716 COC(=O)CCCOC1CCCSC1 7a_100015962668_100011218270 [0,1,0,1,0,0|2,0,0]=4 17497 B14R1.716 COC(=O)CCCOC1CCOCC1 34a_100000744328_100000742333 [0,1,0,1,0,0|2,0,0]=4 17498 B14R1.716 COC(=O)CCCOC1CCSCC1 34a_100000731022_100000742333 [0,1,0,1,0,0|2,0,0]=4 17499 B14R1.716 COC(=O)CCCOC1CCSCC1 7a_100000731022_100011218270 [0,1,0,1,0,0|2,0,0]=4 17500 B14R1.716 COC(=O)CCCSC1CCCCC1 62a_100000210327_100011218270 [0,1,0,1,0,0|1,0,0]=3 17501 B14R1.716 COC(=O)CCCSC1CCCCC1 62a_100011218270_100000210327 [0,1,0,1,0,0|1,0,0]=3 17502 B14R1.716 COC(=O)CCCSC1CCCOC1 62a_100011218270_100000693364 [0,1,0,1,0,0|2,0,0]=4 17503 B14R1.716 COC(=O)CCCSC1CCOCC1 62a_100011218270_100011324220 [0,1,0,1,0,0|2,0,0]=4 17504 B14R1.716 COC(=O)CCCSC1CCSCC1 62a_100011218270_100000069128 [0,1,0,1,0,0|2,0,0]=4 17505 B14R1.716 COC(=O)CCNCC1CCCCC1 2230a_100000210473_100000204255 [0,1,0,1,0,0|1,0,0]=3 17506 B14R1.716 COC(=O)CCNCC1CCCCC1 34a_100000210473_100000742370 [0,1,0,1,0,0|1,0,0]=3 17507 B14R1.716 COC(=O)CCNCC1CCCCO1 2230a_100000174945_100000204255 [0,1,0,1,0,0|2,0,0]=4 17508 B14R1.716 COC(=O)CCNCC1CCCCO1 34a_100000174945_100000742370 [0,1,0,1,0,0|2,0,0]=4 17509 B14R1.716 COC(=O)CCNCC1CCCOC1 2230a_100000720124_100000204255 [0,1,0,1,0,0|2,0,0]=4 17510 B14R1.716 COC(=O)CCNCC1CCCOC1 34a_100000720124_100000742370 [0,1,0,1,0,0|2,0,0]=4 17511 B14R1.716 COC(=O)CCNCC1CCOCC1 2230a_100000746373_100000204255 [0,1,0,1,0,0|2,0,0]=4 17512 B14R1.716 COC(=O)CCNCC1CCOCC1 34a_100000746373_100000742370 [0,1,0,1,0,0|2,0,0]=4 17513 B14R1.716 COC(=O)CCNCC1CCSCC1 2230a_100015188806_100000204255 [0,1,0,1,0,0|2,0,0]=4 17514 B14R1.716 COC(=O)CCNCC1CCSCC1 34a_100015188806_100000742370 [0,1,0,1,0,0|2,0,0]=4 17515 B14R1.716 COC(=O)CCOCC1CCCCC1 34a_100000212181_100000742370 [0,1,0,1,0,0|1,0,0]=3 17516 B14R1.716 COC(=O)CCOCC1CCCCC1 7a_100000212181_100000204255 [0,1,0,1,0,0|1,0,0]=3 17517 B14R1.716 COC(=O)CCOCC1CCCCN1 34a_100000210821_100000742370 [0,1,0,1,0,0|2,0,0]=4 17518 B14R1.716 COC(=O)CCOCC1CCCCO1 34a_100000211370_100000742370 [0,1,0,1,0,0|2,0,0]=4 17519 B14R1.716 COC(=O)CCOCC1CCCCO1 7a_100000211370_100000204255 [0,1,0,1,0,0|2,0,0]=4 17520 B14R1.716 COC(=O)CCOCC1CCCNC1 34a_100000211344_100000742370 [0,1,0,1,0,0|2,0,0]=4 17521 B14R1.716 COC(=O)CCOCC1CCCOC1 34a_100000741520_100000742370 [0,1,0,1,0,0|2,0,0]=4 17522 B14R1.716 COC(=O)CCOCC1CCNCC1 34a_100000738675_100000742370 [0,1,0,1,0,0|2,0,0]=4 17523 B14R1.716 COC(=O)CCOCC1CCOCC1 34a_100000749013_100000742370 [0,1,0,1,0,0|2,0,0]=4 17524 B14R1.716 COC(=O)CCOCC1CCSCC1 34a_100000070558_100000742370 [0,1,0,1,0,0|2,0,0]=4 17525 B14R1.716 COC(=O)CCOCC1CCSCC1 7a_100000070558_100000204255 [0,1,0,1,0,0|2,0,0]=4 17526 B14R1.716 COC(=O)CCSCC1CCCCC1 62a_100000204255_100000211423 [0,1,0,1,0,0|1,0,0]=3 17527 B14R1.716 COC(=O)CCSCC1CCCCC1 62a_100000211423_100000204255 [0,1,0,1,0,0|1,0,0]=3 17528 B14R1.716 COC(=O)CCSCC1CCCCO1 62a_100000204255_100000211543 [0,1,0,1,0,0|2,0,0]=4 17529 B14R1.716 COC(=O)CCSCC1CCCCO1 62a_100000211543_100000204255 [0,1,0,1,0,0|2,0,0]=4 17530 B14R1.716 COC(=O)CCSCC1CCCOC1 62a_100000204255_100000741521 [0,1,0,1,0,0|2,0,0]=4 17531 B14R1.716 COC(=O)CCSCC1CCCOC1 62a_100000741521_100000204255 [0,1,0,1,0,0|2,0,0]=4 17532 B14R1.716 COC(=O)CCSCC1CCOCC1 62a_100000204255_100000749018 [0,1,0,1,0,0|2,0,0]=4 17533 B14R1.716 COC(=O)CCSCC1CCOCC1 62a_100000754603_100000204255 [0,1,0,1,0,0|2,0,0]=4 17534 B14R1.716 COC(=O)CNCCC1CCCCC1 2230a_100000738074_100000747449 [0,1,0,1,0,0|1,0,0]=3 17535 B14R1.716 COC(=O)CNCCC1CCCCC1 34a_100000738074_100000747449 [0,1,0,1,0,0|1,0,0]=3 17536 B14R1.716 COC(=O)CNCCC1CCCCO1 2230a_100015183643_100000747449 [0,1,0,1,0,0|2,0,0]=4 17537 B14R1.716 COC(=O)CNCCC1CCCCO1 34a_100015183643_100000747449 [0,1,0,1,0,0|2,0,0]=4 17538 B14R1.716 COC(=O)CNCCC1CCOCC1 2230a_100000755988_100000747449 [0,1,0,1,0,0|2,0,0]=4 17539 B14R1.716 COC(=O)CNCCC1CCOCC1 34a_100000755988_100000747449 [0,1,0,1,0,0|2,0,0]=4 17540 B14R1.716 COC(=O)COCCC1CCCCC1 34a_100011217863_100000747449 [0,1,0,1,0,0|1,0,0]=3 17541 B14R1.716 COC(=O)COCCC1CCCCC1 7a_100011217863_100000747449 [0,1,0,1,0,0|1,0,0]=3 17542 B14R1.716 COC(=O)COCCC1CCCCN1 34a_100000211664_100000747449 [0,1,0,1,0,0|2,0,0]=4 17543 B14R1.716 COC(=O)COCCC1CCCNC1 34a_100000752241_100000747449 [0,1,0,1,0,0|2,0,0]=4 17544 B14R1.716 COC(=O)COCCC1CCNCC1 34a_100015190746_100000747449 [0,1,0,1,0,0|2,0,0]=4 17545 B14R1.716 COC(=O)COCCC1CCOCC1 34a_100011933979_100000747449 [0,1,0,1,0,0|2,0,0]=4 17546 B14R1.716 COC(=O)COCCC1CCOCC1 7a_100011933979_100000747449 [0,1,0,1,0,0|2,0,0]=4 17547 B14R1.716 COC(=O)CSCCC1CCCCC1 62a_100000747449_100012355289 [0,1,0,1,0,0|1,0,0]=3 17548 B14R1.716 COC(=O)CSCCC1CCCCC1 62a_100012355289_100000747449 [0,1,0,1,0,0|1,0,0]=3 17549 B14R1.716 COC(=O)CSCCC1CCOCC1 62a_100000747449_100011934994 [0,1,0,1,0,0|2,0,0]=4 17550 B14R1.716 COC(=O)CSCCC1CCOCC1 62a_100011934994_100000747449 [0,1,0,1,0,0|2,0,0]=4 17551 B14R1.716 COC(=O)CSCCN1CCCCC1 62a_100000739454_100000747449 [0,1,0,1,0,0|2,0,0]=4 17552 B14R1.716 COC(=O)CSCCN1CCCCC1 62a_100000747449_100000739454 [0,1,0,1,0,0|2,0,0]=4 17553 B14R1.716 COC(=O)CSCOC1CCCCC1 62a_100000747449_100011935260 [0,1,0,1,0,0|2,0,0]=4 17554 B14R1.716 COC(=O)CSCOC1CCCCC1 62a_100011935260_100000747449 [0,1,0,1,0,0|2,0,0]=4 17555 B14R1.716 COC(=O)NCCOC1CCCCC1 34a_100000757965_100000210327 [0,1,0,1,0,0|2,0,0]=4 17556 B14R1.716 COC(=O)OCCOC1CCCCC1 34a_100010262106_100000210327 [0,1,0,1,0,0|2,0,0]=4 17557 B14R1.716 COC(=O)OCSCC1CCCCC1 62a_100000211423_100000139417 [0,1,0,1,0,0|2,0,0]=4 17558 B14R1.716 NC(=NO)CCOCC1CCCCC1 34a_100000749954_100000211423 [0,1,0,1,0,0|2,0,0]=4 17559 B14R1.716 NNC(=O)CCCOC1CCCCC1 34a_100000211488_100000210327 [0,1,0,1,0,0|2,0,0]=4 17560 B14R1.716 O=C(CF)CCCCC1CCCCC1 1458a_200011215547_100015361967 [0,1,0,1,0,0|1,0,0]=3 17561 B14R1.716 O=C(CF)CCCCN1CCCCC1 1458a_100000754417_100015361967 [0,1,0,1,0,0|2,0,0]=4 17562 B14R1.716 O=C(CO)CCCOC1CCCCO1 1458a_100000210174_100000700653 [0,1,0,1,0,0|2,0,0]=4 17563 B14R1.716 O=C(CO)NCCCC1CCCCC1 240690a_100011211642_100000210174 [0,1,0,1,0,0|1,0,0]=3 17564 B14R1.716 O=C(CO)NCCCC1CCCCC1 527a_100011211642_100000210174 [0,1,0,1,0,0|1,0,0]=3 17565 B14R1.716 O=C(CO)NCCCN1CCCCC1 240690a_100000204581_100000210174 [0,1,0,1,0,0|2,0,0]=4 17566 B14R1.716 O=C(CO)NCCCN1CCCCC1 527a_100000204581_100000210174 [0,1,0,1,0,0|2,0,0]=4 17567 B14R1.716 O=C(CO)NCCOC1CCCCC1 240690a_100015206981_100000210174 [0,1,0,1,0,0|2,0,0]=4 17568 B14R1.716 O=C(CO)NCCOC1CCCCC1 527a_100015206981_100000210174 [0,1,0,1,0,0|2,0,0]=4 17569 B14R1.730 CCC(=O)COCCCC1CCCC1 34a_100000725409_100011713738 [0,1,0,1,0,0|2,0,0]=4 17570 B14R1.730 CCC(=O)COCCCC1CCCC1 7a_100011215328_100000747405 [0,1,0,1,0,0|2,0,0]=4 17571 B14R1.730 CCC(=O)CSCCCC1CCCC1 62a_100000747405_100011713738 [0,1,0,1,0,0|2,0,0]=4 17572 B14R1.730 CCC(=O)CSCCCC1CCCC1 62a_100011713738_100000747405 [0,1,0,1,0,0|2,0,0]=4 17573 B14R1.730 CNC(=O)CCCNCC1CCCC1 2230a_100000737975_100000741757 [0,1,0,1,0,0|2,0,0]=4 17574 B14R1.730 CNC(=O)CCCNCC1CCCC1 2230a_100000740002_100000740388 [0,1,0,1,0,0|2,0,0]=4 17575 B14R1.730 CNC(=O)CCCNCC1CCCC1 269862a_100000740002_100000746403 [0,1,0,1,0,0|2,0,0]=4 17576 B14R1.730 CNC(=O)CCCNCC1CCCC1 34a_100000737975_100000741757 [0,1,0,1,0,0|2,0,0]=4 17577 B14R1.730 CNC(=O)CCCNCC1CCCC1 34a_100000740002_100000740388 [0,1,0,1,0,0|2,0,0]=4 17578 B14R1.730 CNC(=O)CCCOCC1CCCC1 34a_100000742336_100000741757 [0,1,0,1,0,0|2,0,0]=4 17579 B14R1.730 CNC(=O)CCCOCC1CCCC1 7a_100000742336_100000741757 [0,1,0,1,0,0|2,0,0]=4 17580 B14R1.730 CNC(=O)CCCSCC1CCCC1 62a_100000740388_100000741757 [0,1,0,1,0,0|2,0,0]=4 17581 B14R1.730 CNC(=O)CCCSCC1CCCC1 62a_100000741757_100000740388 [0,1,0,1,0,0|2,0,0]=4 17582 B14R1.730 CNC(=O)CCNCCC1CCCC1 2230a_100000738227_100000760354 [0,1,0,1,0,0|2,0,0]=4 17583 B14R1.730 CNC(=O)CCNCCC1CCCC1 2230a_100000739158_100000737683 [0,1,0,1,0,0|2,0,0]=4 17584 B14R1.730 CNC(=O)CCNCCC1CCCC1 34a_100000738227_100000760354 [0,1,0,1,0,0|2,0,0]=4 17585 B14R1.730 CNC(=O)CCNCCC1CCCC1 34a_100000739158_100012179268 [0,1,0,1,0,0|2,0,0]=4 17586 B14R1.730 CNC(=O)CCOCCC1CCCC1 34a_100000749090_100012179268 [0,1,0,1,0,0|2,0,0]=4 17587 B14R1.730 CNC(=O)CCOCCC1CCCC1 34a_100000754576_100000760354 [0,1,0,1,0,0|2,0,0]=4 17588 B14R1.730 CNC(=O)CCOCCC1CCCC1 7a_100000749090_100000737683 [0,1,0,1,0,0|2,0,0]=4 17589 B14R1.730 CNC(=O)CCSCCC1CCCC1 62a_100000737683_100000760354 [0,1,0,1,0,0|2,0,0]=4 17590 B14R1.730 CNC(=O)CCSCCC1CCCC1 62a_100000760354_100000737683 [0,1,0,1,0,0|2,0,0]=4 17591 B14R1.730 CNC(=O)CNCCCC1CCCC1 2230a_100000693194_100011713738 [0,1,0,1,0,0|2,0,0]=4 17592 B14R1.730 CNC(=O)CNCCCC1CCCC1 2230a_100000736752_100000183359 [0,1,0,1,0,0|2,0,0]=4 17593 B14R1.730 CNC(=O)CNCCCC1CCCC1 34a_100000736752_100000183359 [0,1,0,1,0,0|2,0,0]=4 17594 B14R1.730 CNC(=O)COCCCC1CCCC1 34a_100000750040_100011713738 [0,1,0,1,0,0|2,0,0]=4 17595 B14R1.730 CNC(=O)COCCCC1CCCC1 34a_100011215328_100000183359 [0,1,0,1,0,0|2,0,0]=4 17596 B14R1.730 CNC(=O)COCCCC1CCCC1 7a_100011215328_100000183359 [0,1,0,1,0,0|2,0,0]=4 17597 B14R1.730 CNC(=O)CSCCCC1CCCC1 62a_100000183359_100011713738 [0,1,0,1,0,0|2,0,0]=4 17598 B14R1.730 CNC(=O)CSCCCC1CCCC1 62a_100011713738_100000183359 [0,1,0,1,0,0|2,0,0]=4 17599 B14R1.730 COC(=O)CCCCCN1CCCC1 2230a_100000188435_100009816466 [0,1,0,1,0,0|1,0,0]=3 17600 B14R1.730 COC(=O)CCCCCN1CCCC1 269982a_100000188435_100009816466 [0,1,0,1,0,0|1,0,0]=3 17601 B14R1.730 COC(=O)CCCCCN1CCSC1 2230a_100011215254_100009816466 [0,1,0,1,0,0|2,0,0]=4 17602 B14R1.730 COC(=O)CCCCCN1CCSC1 269982a_100011215254_100009816466 [0,1,0,1,0,0|2,0,0]=4 17603 B14R1.730 COC(=O)CCCCNC1CCCC1 2230a_100000211070_100000204269 [0,1,0,1,0,0|1,0,0]=3 17604 B14R1.730 COC(=O)CCCCNC1CCCC1 34a_100000211070_100000204269 [0,1,0,1,0,0|1,0,0]=3 17605 B14R1.730 COC(=O)CCCCN[C@@H]1CCOC1 2230a_200015188469_100000204269 [0,1,0,1,0,0|2,0,0]=4 17606 B14R1.730 COC(=O)CCCCN[C@H]1CCOC1 2230a_100015188467_100000204269 [0,1,0,1,0,0|2,0,0]=4 17607 B14R1.730 COC(=O)CCCCN[C@H]1CCOC1 34a_100015188467_100000204269 [0,1,0,1,0,0|2,0,0]=4 17608 B14R1.730 COC(=O)CCCCOC1CCCC1 34a_100000059025_100000179811 [0,1,0,1,0,0|1,0,0]=3 17609 B14R1.730 COC(=O)CCCCOC1CCCC1 34a_100000210269_100000204269 [0,1,0,1,0,0|1,0,0]=3 17610 B14R1.730 COC(=O)CCCCOC1CCCC1 7a_100000059025_100000179811 [0,1,0,1,0,0|1,0,0]=3 17611 B14R1.730 COC(=O)CCCCOC1CCCC1 7a_100000210269_100000204269 [0,1,0,1,0,0|1,0,0]=3 17612 B14R1.730 COC(=O)CCCCOC1CCCO1 34a_100000085407_100000204269 [0,1,0,1,0,0|2,0,0]=4 17613 B14R1.730 COC(=O)CCCCOC1CCOC1 34a_100000059025_100000690089 [0,1,0,1,0,0|2,0,0]=4 17614 B14R1.730 COC(=O)CCCCOC1CCOC1 7a_100000059025_100000731011 [0,1,0,1,0,0|2,0,0]=4 17615 B14R1.730 COC(=O)CCCCOC1CCSC1 7a_100011232664_100000204269 [0,1,0,1,0,0|2,0,0]=4 17616 B14R1.730 COC(=O)CCCCO[C@H]1CCOC1 34a_100000717292_100000204269 [0,1,0,1,0,0|2,0,0]=4 17617 B14R1.730 COC(=O)CCCCSC1CCCC1 62a_100000204269_100000179811 [0,1,0,1,0,0|1,0,0]=3 17618 B14R1.730 COC(=O)CCCCSC1CCCC1 62a_100011217020_100000204269 [0,1,0,1,0,0|1,0,0]=3 17619 B14R1.730 COC(=O)CCCCSC1CCOC1 62a_100000204269_100000690089 [0,1,0,1,0,0|2,0,0]=4 17620 B14R1.730 COC(=O)CCCNCC1CCCC1 2230a_100000737975_100011218270 [0,1,0,1,0,0|1,0,0]=3 17621 B14R1.730 COC(=O)CCCNCC1CCCC1 34a_100000737975_100000742333 [0,1,0,1,0,0|1,0,0]=3 17622 B14R1.730 COC(=O)CCCNCC1CCOC1 2230a_100000737293_100011218270 [0,1,0,1,0,0|2,0,0]=4 17623 B14R1.730 COC(=O)CCCNCC1CCOC1 34a_100000737293_100000742333 [0,1,0,1,0,0|2,0,0]=4 17624 B14R1.730 COC(=O)CCCNC[C@@H]1CCCO1 2230a_100020590478_100011218270 [0,1,0,1,0,0|2,0,0]=4 17625 B14R1.730 COC(=O)CCCNC[C@@H]1CCCO1 34a_100020590478_100000742333 [0,1,0,1,0,0|2,0,0]=4 17626 B14R1.730 COC(=O)CCCOCC1CCCC1 34a_100000742336_100000742333 [0,1,0,1,0,0|1,0,0]=3 17627 B14R1.730 COC(=O)CCCOCC1CCCC1 7a_100000742336_100011218270 [0,1,0,1,0,0|1,0,0]=3 17628 B14R1.730 COC(=O)CCCOCC1CCCO1 34a_100000210270_100000742333 [0,1,0,1,0,0|2,0,0]=4 17629 B14R1.730 COC(=O)CCCOCC1CCCO1 7a_100000210270_100011218270 [0,1,0,1,0,0|2,0,0]=4 17630 B14R1.730 COC(=O)CCCOCC1CCNC1 34a_100000748654_100000742333 [0,1,0,1,0,0|2,0,0]=4 17631 B14R1.730 COC(=O)CCCOCC1CCOC1 34a_100000740260_100000742333 [0,1,0,1,0,0|2,0,0]=4 17632 B14R1.730 COC(=O)CCCOC[C@H]1CCCN1 34a_100000745186_100000742333 [0,1,0,1,0,0|2,0,0]=4 17633 B14R1.730 COC(=O)CCCSCC1CCCC1 62a_100000740388_100011218270 [0,1,0,1,0,0|1,0,0]=3 17634 B14R1.730 COC(=O)CCCSCC1CCCC1 62a_100011218270_100000740388 [0,1,0,1,0,0|1,0,0]=3 17635 B14R1.730 COC(=O)CCCSCC1CCCO1 62a_100000203698_100011218270 [0,1,0,1,0,0|2,0,0]=4 17636 B14R1.730 COC(=O)CCCSCC1CCCO1 62a_100011218270_100000203698 [0,1,0,1,0,0|2,0,0]=4 17637 B14R1.730 COC(=O)CCCSCC1CCOC1 62a_100000702531_100011218270 [0,1,0,1,0,0|2,0,0]=4 17638 B14R1.730 COC(=O)CCCSCC1CCOC1 62a_100011218270_100000702531 [0,1,0,1,0,0|2,0,0]=4 17639 B14R1.730 COC(=O)CCNCCC1CCCC1 2230a_100000739158_100000204255 [0,1,0,1,0,0|1,0,0]=3 17640 B14R1.730 COC(=O)CCNCCC1CCCC1 34a_100000739158_100000742370 [0,1,0,1,0,0|1,0,0]=3 17641 B14R1.730 COC(=O)CCOCCC1CCCC1 34a_100000749090_100000742370 [0,1,0,1,0,0|1,0,0]=3 17642 B14R1.730 COC(=O)CCOCCC1CCCC1 7a_100000749090_100000204255 [0,1,0,1,0,0|1,0,0]=3 17643 B14R1.730 COC(=O)CCOCCC1CCNC1 34a_100016987287_100000742370 [0,1,0,1,0,0|2,0,0]=4 17644 B14R1.730 COC(=O)CCOCCC1CCOC1 34a_100011879284_100000742370 [0,1,0,1,0,0|2,0,0]=4 17645 B14R1.730 COC(=O)CCSCCC1CCCC1 62a_100000204255_100000760354 [0,1,0,1,0,0|1,0,0]=3 17646 B14R1.730 COC(=O)CCSCCC1CCCC1 62a_100000760354_100000204255 [0,1,0,1,0,0|1,0,0]=3 17647 B14R1.730 COC(=O)CCSCCN1CCCC1 62a_100000204255_100000004467 [0,1,0,1,0,0|2,0,0]=4 17648 B14R1.730 COC(=O)CCSCCN1CCCC1 62a_100000700749_100000204255 [0,1,0,1,0,0|2,0,0]=4 17649 B14R1.730 COC(=O)CNCCCC1CCCC1 2230a_100000736752_100000747449 [0,1,0,1,0,0|1,0,0]=3 17650 B14R1.730 COC(=O)CNCCCC1CCCC1 34a_100000736752_100000747449 [0,1,0,1,0,0|1,0,0]=3 17651 B14R1.730 COC(=O)CNCCOC1CCCC1 34a_100000741755_100000747449 [0,1,0,1,0,0|2,0,0]=4 17652 B14R1.730 COC(=O)COCCCC1CCCC1 34a_100011215328_100000747449 [0,1,0,1,0,0|1,0,0]=3 17653 B14R1.730 COC(=O)COCCCC1CCCC1 7a_100011215328_100000747449 [0,1,0,1,0,0|1,0,0]=3 17654 B14R1.730 COC(=O)COCCNC1CCCC1 2230a_100000211070_100000090808 [0,1,0,1,0,0|2,0,0]=4 17655 B14R1.730 COC(=O)COCCNC1CCCC1 34a_100000211070_100000090808 [0,1,0,1,0,0|2,0,0]=4 17656 B14R1.730 COC(=O)COCCNC1CCCC1 34a_200000200444_100000747449 [0,1,0,1,0,0|2,0,0]=4 17657 B14R1.730 COC(=O)COCCOC1CCCC1 34a_100000210269_100000090808 [0,1,0,1,0,0|2,0,0]=4 17658 B14R1.730 COC(=O)COCCOC1CCCC1 34a_100000738311_100000747449 [0,1,0,1,0,0|2,0,0]=4 17659 B14R1.730 COC(=O)COCCOC1CCCC1 7a_100000210269_100000090808 [0,1,0,1,0,0|2,0,0]=4 17660 B14R1.730 COC(=O)COCCOC1CCCC1 7a_100000738311_100000747449 [0,1,0,1,0,0|2,0,0]=4 17661 B14R1.730 COC(=O)COCCSC1CCCC1 62a_100000090808_100000179811 [0,1,0,1,0,0|2,0,0]=4 17662 B14R1.730 COC(=O)COCCSC1CCCC1 62a_100011217020_100000090808 [0,1,0,1,0,0|2,0,0]=4 17663 B14R1.730 COC(=O)CSCCCC1CCCC1 62a_100000747449_100011713738 [0,1,0,1,0,0|1,0,0]=3 17664 B14R1.730 COC(=O)CSCCCC1CCCC1 62a_100011713738_100000747449 [0,1,0,1,0,0|1,0,0]=3 17665 B14R1.730 COC(=O)CSCCCN1CCCC1 62a_100000747449_100011445909 [0,1,0,1,0,0|2,0,0]=4 17666 B14R1.730 COC(=O)CSCCCN1CCCC1 62a_100016991639_100000747449 [0,1,0,1,0,0|2,0,0]=4 17667 B14R1.730 COC(=O)NCCOCC1CCCC1 34a_100000757965_100000740388 [0,1,0,1,0,0|2,0,0]=4 17668 B14R1.730 COC(=O)OCCOCC1CCCC1 34a_100010262106_100000740388 [0,1,0,1,0,0|2,0,0]=4 17669 B14R1.730 COC(=O)OCSCCC1CCCC1 62a_100000760354_100000139417 [0,1,0,1,0,0|2,0,0]=4 17670 B14R1.730 NC(=NO)CCOCCC1CCCC1 34a_100000749954_100000760354 [0,1,0,1,0,0|2,0,0]=4 17671 B14R1.730 NNC(=O)CCCOCC1CCCC1 34a_100000211488_100000740388 [0,1,0,1,0,0|2,0,0]=4 17672 B14R1.730 O=C(CO)NCCCCN1CCCC1 240690a_100000740493_100000210174 [0,1,0,1,0,0|2,0,0]=4 17673 B14R1.730 O=C(CO)NCCCOC1CCCC1 240690a_100000747560_100000210174 [0,1,0,1,0,0|2,0,0]=4 17674 B14R1.730 O=C(CO)NCCCOC1CCCC1 527a_100000747560_100000210174 [0,1,0,1,0,0|2,0,0]=4 17675 B14R1.789 CCCCN1CCCCC1C(=O)NC 2230a_100011209383_100000210211 [0,1,0,1,0,0|2,0,0]=4 17676 B14R1.789 CCCCN1CCCCC1C(=O)NC 269982a_100011209383_100000210211 [0,1,0,1,0,0|2,0,0]=4 17677 B14R1.789 CCCCN1CCCCC1C(=O)NC 34a_100011209383_100000210210 [0,1,0,1,0,0|2,0,0]=4 17678 B14R1.789 CCCCN1CCCCC1C(=O)OC 2230a_100000734855_100000210211 [0,1,0,1,0,0|1,0,0]=3 17679 B14R1.789 CCCCN1CCCCC1C(=O)OC 269982a_100000734855_100000210211 [0,1,0,1,0,0|1,0,0]=3 17680 B14R1.789 CCCCN1CCCCC1C(=O)OC 34a_100000734855_100000210210 [0,1,0,1,0,0|1,0,0]=3 17681 B14R1.789 CCCCN1CCOCC1C(=O)OC 2230a_100000765174_100000210211 [0,1,0,1,0,0|2,0,0]=4 17682 B14R1.789 CCCCN1CCOCC1C(=O)OC 34a_100000765174_100000210210 [0,1,0,1,0,0|2,0,0]=4 17683 B14R1.789 CCCOC1CCNCC1C(=O)OC 34a_200103168510_100000210303 [0,1,0,1,0,0|2,0,0]=4 17684 B14R1.789 CCCO[C@H]1CCCC[C@H]1C(=O)OC 34a_100015709673_100000210303 [0,1,0,1,0,0|1,0,0]=3 17685 B14R1.789 CCCO[C@H]1CCCC[C@H]1C(=O)OC 7a_100015709673_100000210303 [0,1,0,1,0,0|1,0,0]=3 17686 B14R1.789 CCOCN1CCCCC1C(=O)OC 269982a_100000734855_100000739092 [0,1,0,1,0,0|2,0,0]=4 17687 B14R1.789 COC(=O)C1CCCCN1CCCF 2230a_100000734855_100011934791 [0,1,0,1,0,0|2,0,0]=4 17688 B14R1.789 COC(=O)C1CCCCN1CCCF 269982a_100000734855_100011934791 [0,1,0,1,0,0|2,0,0]=4 17689 B14R1.789 COC(=O)C1CCCCN1CCCF 34a_100000734855_100011934791 [0,1,0,1,0,0|2,0,0]=4 17690 B14R1.789 COC(=O)C1CCCCN1CCCO 2230a_100000734855_100000230001 [0,1,0,1,0,0|2,0,0]=4 17691 B14R1.789 COC(=O)C1CCCCN1CCCO 269982a_100000734855_100011215043 [0,1,0,1,0,0|2,0,0]=4 17692 B14R1.789 COC(=O)C1CCCCN1CCCO 34a_100000734855_100000230001 [0,1,0,1,0,0|2,0,0]=4 17693 B14R1.789 COC(=O)C1CCCCN1CCSC 2230a_100000734855_100000751147 [0,1,0,1,0,0|2,0,0]=4 17694 B14R1.789 COC(=O)C1CCCCN1CCSC 269982a_100000734855_100000212216 [0,1,0,1,0,0|2,0,0]=4 17695 B14R1.789 COC(=O)C1CCCCN1CCSC 34a_100000734855_100000212216 [0,1,0,1,0,0|2,0,0]=4 17696 B14R1.789 COC(=O)[C@@H]1CCCC[C@@H]1OCCF 34a_100015709673_100011217306 [0,1,0,1,0,0|2,0,0]=4 17697 B14R1.789 COC(=O)[C@@H]1CCCC[C@@H]1OCCF 7a_100015709673_100011217306 [0,1,0,1,0,0|2,0,0]=4 17698 B14R1.789 COC(=O)[C@@H]1CCCC[C@@H]1OCCO 34a_100015709673_100000211926 [0,1,0,1,0,0|2,0,0]=4 17699 B14R1.789 COC(=O)[C@@H]1CCCC[C@@H]1OCCO 7a_100015709673_100000211926 [0,1,0,1,0,0|2,0,0]=4 17700 B14R1.789 COC(=O)[C@@H]1CCCC[C@@H]1OCSC 34a_100015709673_100011218213 [0,1,0,1,0,0|2,0,0]=4 17701 B14R1.789 COCCC1CCCCN1C(=O)CO 240690a_100015186528_100000210174 [0,1,0,1,0,0|2,0,0]=4 17702 B14R1.789 COCCC1CCCCN1C(=O)CO 527a_100015186528_100000210174 [0,1,0,1,0,0|2,0,0]=4 17703 B14R1.789 COCCN1CCCCC1C(=O)OC 2230a_100000734855_100011201679 [0,1,0,1,0,0|2,0,0]=4 17704 B14R1.789 COCCN1CCCCC1C(=O)OC 269982a_100000734855_100000233755 [0,1,0,1,0,0|2,0,0]=4 17705 B14R1.789 COCCN1CCCCC1C(=O)OC 34a_100000734855_100011201679 [0,1,0,1,0,0|2,0,0]=4 17706 B14R1.789 O=C(CO)N1CCCCC1CCCO 240690a_100011934581_100000210174 [0,1,0,1,0,0|2,0,0]=4 17707 B14R1.800 CCCCN1CCC[C@@H]1CC(=O)OC 2230a_100025726698_100000210211 [0,1,0,1,0,0|1,0,0]=3 17708 B14R1.800 CCCCN1CCC[C@@H]1CC(=O)OC 269982a_100025726698_100000210211 [0,1,0,1,0,0|1,0,0]=3 17709 B14R1.800 CCCCN1CCC[C@@H]1CC(=O)OC 34a_100025726698_100000210210 [0,1,0,1,0,0|1,0,0]=3 17710 B14R1.800 CCOCN1CCC[C@@H]1CC(=O)OC 269982a_100025726698_100000739092 [0,1,0,1,0,0|2,0,0]=4 17711 B14R1.800 COC(=O)C[C@H]1CCCN1CCCF 2230a_100025726698_100011934791 [0,1,0,1,0,0|2,0,0]=4 17712 B14R1.800 COC(=O)C[C@H]1CCCN1CCCF 269982a_100025726698_100011934791 [0,1,0,1,0,0|2,0,0]=4 17713 B14R1.800 COC(=O)C[C@H]1CCCN1CCCF 34a_100025726698_100011934791 [0,1,0,1,0,0|2,0,0]=4 17714 B14R1.800 COC(=O)C[C@H]1CCCN1CCCO 2230a_100025726698_100000230001 [0,1,0,1,0,0|2,0,0]=4 17715 B14R1.800 COC(=O)C[C@H]1CCCN1CCCO 269982a_100025726698_100011215043 [0,1,0,1,0,0|2,0,0]=4 17716 B14R1.800 COC(=O)C[C@H]1CCCN1CCCO 34a_100025726698_100000230001 [0,1,0,1,0,0|2,0,0]=4 17717 B14R1.800 COC(=O)C[C@H]1CCCN1CCSC 2230a_100025726698_100000751147 [0,1,0,1,0,0|2,0,0]=4 17718 B14R1.800 COC(=O)C[C@H]1CCCN1CCSC 269982a_100025726698_100000212216 [0,1,0,1,0,0|2,0,0]=4 17719 B14R1.800 COC(=O)C[C@H]1CCCN1CCSC 34a_100025726698_100000212216 [0,1,0,1,0,0|2,0,0]=4 17720 B14R1.800 COCCN1CCC[C@@H]1CC(=O)OC 2230a_100025726698_100011201679 [0,1,0,1,0,0|2,0,0]=4 17721 B14R1.800 COCCN1CCC[C@@H]1CC(=O)OC 269982a_100025726698_100000233755 [0,1,0,1,0,0|2,0,0]=4 17722 B14R1.800 COCCN1CCC[C@@H]1CC(=O)OC 34a_100025726698_100011201679 [0,1,0,1,0,0|2,0,0]=4 17723 B14R1.819 CNC(=O)CCCNC1CCCC1C 269862a_100000740002_100000752053 [0,1,0,1,0,0|2,0,0]=4 17724 B14R1.819 CNC(=O)CCCOC1CCCC1C 34a_100011216460_100000741757 [0,1,0,1,0,0|2,0,0]=4 17725 B14R1.819 CNC(=O)CCCOC1CCCC1C 7a_100011216460_100000741757 [0,1,0,1,0,0|2,0,0]=4 17726 B14R1.819 COC(=O)CCCCN1CCC[C@@H]1C 2230a_100020605311_100000204269 [0,1,0,1,0,0|1,0,0]=3 17727 B14R1.819 COC(=O)CCCCN1CCC[C@@H]1C 269982a_100020605311_100000204269 [0,1,0,1,0,0|1,0,0]=3 17728 B14R1.819 COC(=O)CCCCN1CCC[C@H]1C 2230a_100015189458_100000204269 [0,1,0,1,0,0|1,0,0]=3 17729 B14R1.819 COC(=O)CCCCN1CCC[C@H]1C 269982a_100015189458_100000204269 [0,1,0,1,0,0|1,0,0]=3 17730 B14R1.819 COC(=O)CCCCN1CCC[C@H]1C 34a_100015189458_100000204269 [0,1,0,1,0,0|1,0,0]=3 17731 B14R1.819 COC(=O)CCCCN1CCSC1C 2230a_200011216479_100000204269 [0,1,0,1,0,0|2,0,0]=4 17732 B14R1.819 COC(=O)CCCCN1CCSC1C 269982a_200011216479_100000204269 [0,1,0,1,0,0|2,0,0]=4 17733 B14R1.819 COC(=O)CCCCN1CCSC1C 34a_200011216479_100000204269 [0,1,0,1,0,0|2,0,0]=4 17734 B14R1.819 COC(=O)CCCOC1CCCC1C 34a_100011216460_100000742333 [0,1,0,1,0,0|1,0,0]=3 17735 B14R1.819 COC(=O)CCCOC1CCCC1C 7a_100011216460_100011218270 [0,1,0,1,0,0|1,0,0]=3 17736 B14R1.819 COC(=O)CCCO[C@@H]1CCC[C@H]1Cl 34a_200016002552_100000742333 [0,1,0,1,0,0|2,0,0]=4 17737 B14R1.819 COC(=O)CCCO[C@H]1CCC[C@@H]1N 34a_100000748460_100000742333 [0,1,0,1,0,0|2,0,0]=4 17738 B14R1.819 COC(=O)CCCO[C@H]1CNC[C@H]1C 34a_200015306588_100000742333 [0,1,0,1,0,0|2,0,0]=4 17739 B14R1.819 COC(=O)CCCS[C@@H]1CCC[C@H]1O 62a_100011218270_200016002552 [0,1,0,1,0,0|2,0,0]=4 17740 B14R1.819 COC(=O)CCCS[C@@H]1CCC[C@H]1O 62a_200016002552_100011218270 [0,1,0,1,0,0|2,0,0]=4 17741 B14R1.819 COC(=O)CCOCC1CCCN1C 34a_100000743107_100000742370 [0,1,0,1,0,0|2,0,0]=4 17742 B14R1.819 COC(=O)COCCC1CCCN1C 34a_100011215177_100000747449 [0,1,0,1,0,0|2,0,0]=4 17743 B14R1.819 COC(=O)COCCC1CCCN1C 7a_100011215177_100000747449 [0,1,0,1,0,0|2,0,0]=4 17744 B14R1.819 COC(=O)COCCN1CCC[C@@H]1C 2230a_100020605311_100000090808 [0,1,0,1,0,0|2,0,0]=4 17745 B14R1.819 COC(=O)COCCN1CCC[C@H]1C 2230a_100015189458_100000090808 [0,1,0,1,0,0|2,0,0]=4 17746 B14R1.819 COC(=O)COCCN1CCC[C@H]1C 34a_100015189458_100000090808 [0,1,0,1,0,0|2,0,0]=4 17747 B14R1.819 COC(=O)CSCCC1CCCN1C 62a_100000005710_100000747449 [0,1,0,1,0,0|2,0,0]=4 17748 B14R1.819 COC(=O)CSCCC1CCCN1C 62a_100000747449_100000005710 [0,1,0,1,0,0|2,0,0]=4 17749 B14R1.822 COC(=O)CCCCCN[C@@H]1C[C@@H]1F 2230a_100015190264_100009816466 [0,1,0,1,0,0|2,0,0]=4 17750 B14R1.822 COC(=O)CCCCCN[C@@H]1C[C@H]1F 2230a_100025746932_100009816466 [0,1,0,1,0,0|2,0,0]=4 17751 B14R1.822 COC(=O)CCCCCN[C@@H]1C[C@H]1F 34a_100025746932_100009816466 [0,1,0,1,0,0|2,0,0]=4 17752 B14R1.822 COC(=O)CCCCOCC1CC1C 34a_100000744939_100000204269 [0,1,0,1,0,0|1,0,0]=3 17753 B14R1.822 COC(=O)CCCCOCC1CC1C 7a_100000744939_100000204269 [0,1,0,1,0,0|1,0,0]=3 17754 B14R1.822 COC(=O)COCCOCC1CC1C 34a_100000744939_100000090808 [0,1,0,1,0,0|2,0,0]=4 17755 B14R1.822 COC(=O)COCCOCC1CC1C 7a_100000744939_100000090808 [0,1,0,1,0,0|2,0,0]=4 17756 B14R1.823 COC(=O)CCCCCCN1CCC1 269982a_100000754969_100009815986 [0,1,0,1,0,0|1,0,0]=3 17757 B14R1.823 COC(=O)CCCCCNC1CCC1 2230a_100000749019_100009816466 [0,1,0,1,0,0|1,0,0]=3 17758 B14R1.823 COC(=O)CCCCCNC1CCC1 34a_100000749019_100009816466 [0,1,0,1,0,0|1,0,0]=3 17759 B14R1.823 COC(=O)CCCCCNC1COC1 2230a_100016991112_100009816466 [0,1,0,1,0,0|2,0,0]=4 17760 B14R1.823 COC(=O)CCCCCOC1CCC1 34a_100000074720_100000749161 [0,1,0,1,0,0|1,0,0]=3 17761 B14R1.823 COC(=O)CCCCCOC1CCC1 34a_100000748187_100009816466 [0,1,0,1,0,0|1,0,0]=3 17762 B14R1.823 COC(=O)CCCCCOC1COC1 34a_100000074720_100009818527 [0,1,0,1,0,0|2,0,0]=4 17763 B14R1.823 COC(=O)CCCCCOC1COC1 7a_100000074720_100009818527 [0,1,0,1,0,0|2,0,0]=4 17764 B14R1.823 COC(=O)CCCCCOC1CSC1 7a_100000072292_100009816466 [0,1,0,1,0,0|2,0,0]=4 17765 B14R1.823 COC(=O)CCCCCSC1CCC1 62a_100009816466_100000749161 [0,1,0,1,0,0|1,0,0]=3 17766 B14R1.823 COC(=O)CCCCCSC1COC1 62a_100009816466_100009818527 [0,1,0,1,0,0|2,0,0]=4 17767 B14R1.823 COC(=O)CCCCNCC1CCC1 2230a_100000738700_100000204269 [0,1,0,1,0,0|1,0,0]=3 17768 B14R1.823 COC(=O)CCCCNCC1CCC1 34a_100000738700_100000204269 [0,1,0,1,0,0|1,0,0]=3 17769 B14R1.823 COC(=O)CCCCNCC1COC1 2230a_100015281925_100000204269 [0,1,0,1,0,0|2,0,0]=4 17770 B14R1.823 COC(=O)CCCCNCC1COC1 34a_100015281925_100000204269 [0,1,0,1,0,0|2,0,0]=4 17771 B14R1.823 COC(=O)CCCCNC[C@@H]1CCO1 2230a_100020831831_100000204269 [0,1,0,1,0,0|2,0,0]=4 17772 B14R1.823 COC(=O)CCCCNC[C@@H]1CCO1 34a_100020831831_100000204269 [0,1,0,1,0,0|2,0,0]=4 17773 B14R1.823 COC(=O)CCCCOCC1CCC1 34a_100000059025_100000763275 [0,1,0,1,0,0|1,0,0]=3 17774 B14R1.823 COC(=O)CCCCOCC1CCC1 34a_100000760304_100000204269 [0,1,0,1,0,0|1,0,0]=3 17775 B14R1.823 COC(=O)CCCCOCC1CCC1 7a_100000059025_100000763275 [0,1,0,1,0,0|1,0,0]=3 17776 B14R1.823 COC(=O)CCCCOCC1CCO1 34a_100000039022_100000204269 [0,1,0,1,0,0|2,0,0]=4 17777 B14R1.823 COC(=O)CCCCOCC1CCO1 34a_100000059025_100000103362 [0,1,0,1,0,0|2,0,0]=4 17778 B14R1.823 COC(=O)CCCCOCC1CCO1 7a_100000059025_100000103362 [0,1,0,1,0,0|2,0,0]=4 17779 B14R1.823 COC(=O)CCCCOCC1CNC1 34a_100016987283_100000204269 [0,1,0,1,0,0|2,0,0]=4 17780 B14R1.823 COC(=O)CCCCOCC1COC1 34a_100000059025_100010264016 [0,1,0,1,0,0|2,0,0]=4 17781 B14R1.823 COC(=O)CCCCOCC1COC1 34a_100000060846_100000204269 [0,1,0,1,0,0|2,0,0]=4 17782 B14R1.823 COC(=O)CCCCOCC1COC1 7a_100000059025_100010264016 [0,1,0,1,0,0|2,0,0]=4 17783 B14R1.823 COC(=O)CCCCSCC1CCC1 62a_100000204269_100000763275 [0,1,0,1,0,0|1,0,0]=3 17784 B14R1.823 COC(=O)CCCCSCC1CCC1 62a_100000763275_100000204269 [0,1,0,1,0,0|1,0,0]=3 17785 B14R1.823 COC(=O)CCCCSCC1CCO1 62a_100000103362_100000204269 [0,1,0,1,0,0|2,0,0]=4 17786 B14R1.823 COC(=O)CCCCSCC1CCO1 62a_100000204269_100000103362 [0,1,0,1,0,0|2,0,0]=4 17787 B14R1.823 COC(=O)CCCCSCC1COC1 62a_100000204269_100010264016 [0,1,0,1,0,0|2,0,0]=4 17788 B14R1.823 COC(=O)CCCCSCC1COC1 62a_100010264016_100000204269 [0,1,0,1,0,0|2,0,0]=4 17789 B14R1.823 COC(=O)CCCOCCC1COC1 34a_100009855314_100000742333 [0,1,0,1,0,0|2,0,0]=4 17790 B14R1.823 COC(=O)COCCNCC1CCC1 2230a_100000738700_100000090808 [0,1,0,1,0,0|2,0,0]=4 17791 B14R1.823 COC(=O)COCCNCC1CCC1 34a_100000738700_100000090808 [0,1,0,1,0,0|2,0,0]=4 17792 B14R1.823 COC(=O)COCCOCC1CCC1 34a_100000760304_100000090808 [0,1,0,1,0,0|2,0,0]=4 17793 B14R1.823 COC(=O)COCCSCC1CCC1 62a_100000090808_100000763275 [0,1,0,1,0,0|2,0,0]=4 17794 B14R1.823 COC(=O)COCCSCC1CCC1 62a_100000763275_100000090808 [0,1,0,1,0,0|2,0,0]=4 17795 B14R1.827 COC(=O)CCCCCCNC1CC1 34a_100000212008_100009815986 [0,1,0,1,0,0|1,0,0]=3 17796 B14R1.827 COC(=O)CCCCCCOC1CC1 34a_100009863599_100000211595 [0,1,0,1,0,0|1,0,0]=3 17797 B14R1.827 COC(=O)CCCCCCSC1CC1 62a_100009815986_100000211595 [0,1,0,1,0,0|1,0,0]=3 17798 B14R1.827 COC(=O)CCCCCNCC1CC1 2230a_100000735609_100009816466 [0,1,0,1,0,0|1,0,0]=3 17799 B14R1.827 COC(=O)CCCCCNCC1CC1 34a_100000735609_100009816466 [0,1,0,1,0,0|1,0,0]=3 17800 B14R1.827 COC(=O)CCCCCOCC1CC1 34a_100000074720_100000742324 [0,1,0,1,0,0|1,0,0]=3 17801 B14R1.827 COC(=O)CCCCCOCC1CC1 34a_100000211283_100009816466 [0,1,0,1,0,0|1,0,0]=3 17802 B14R1.827 COC(=O)CCCCCOCC1CC1 7a_100000074720_100000742324 [0,1,0,1,0,0|1,0,0]=3 17803 B14R1.827 COC(=O)CCCCCOCC1CO1 34a_100000074720_102125554688 [0,1,0,1,0,0|2,0,0]=4 17804 B14R1.827 COC(=O)CCCCCOCC1CO1 7a_100000074720_102125554688 [0,1,0,1,0,0|2,0,0]=4 17805 B14R1.827 COC(=O)CCCCCOCC1CS1 7a_100000074720_100000031435 [0,1,0,1,0,0|2,0,0]=4 17806 B14R1.827 COC(=O)CCCCCOC[C@@H]1CO1 34a_100000757423_100009816466 [0,1,0,1,0,0|2,0,0]=4 17807 B14R1.827 COC(=O)CCCCCOC[C@@H]1CO1 7a_100000074720_100000745022 [0,1,0,1,0,0|2,0,0]=4 17808 B14R1.827 COC(=O)CCCCCSCC1CC1 62a_100000756562_100009816466 [0,1,0,1,0,0|1,0,0]=3 17809 B14R1.827 COC(=O)CCCCCSCC1CC1 62a_100009816466_100000742324 [0,1,0,1,0,0|1,0,0]=3 17810 B14R1.827 COC(=O)CCCCCSCC1CO1 62a_100009816466_102125554688 [0,1,0,1,0,0|2,0,0]=4 17811 B14R1.827 COC(=O)CCCCCSCC1CO1 62a_102125554688_100009816466 [0,1,0,1,0,0|2,0,0]=4 17812 B14R1.827 COC(=O)CCCCCSCC1CS1 62a_100000031435_100009816466 [0,1,0,1,0,0|2,0,0]=4 17813 B14R1.827 COC(=O)CCCCCSCC1CS1 62a_100009816466_100000031435 [0,1,0,1,0,0|2,0,0]=4 17814 B14R1.827 COC(=O)CCCCCSC[C@@H]1CO1 62a_100000745022_100009816466 [0,1,0,1,0,0|2,0,0]=4 17815 B14R1.827 COC(=O)CCCCCSC[C@@H]1CO1 62a_100009816466_100000745022 [0,1,0,1,0,0|2,0,0]=4 17816 B14R1.827 COC(=O)CCCCNCCC1CC1 34a_100000764129_100000204269 [0,1,0,1,0,0|1,0,0]=3 17817 B14R1.827 COC(=O)CCCCOCCC1CC1 34a_100000059025_100000694398 [0,1,0,1,0,0|1,0,0]=3 17818 B14R1.827 COC(=O)CCCCOCCC1CC1 34a_100000754188_100000204269 [0,1,0,1,0,0|1,0,0]=3 17819 B14R1.827 COC(=O)CCCCOCCC1CC1 7a_100000059025_100000764125 [0,1,0,1,0,0|1,0,0]=3 17820 B14R1.827 COC(=O)CCCCOCCC1CC1 7a_100000754188_100000204269 [0,1,0,1,0,0|1,0,0]=3 17821 B14R1.827 COC(=O)CCCCOCCC1CO1 34a_100000059025_100000732470 [0,1,0,1,0,0|2,0,0]=4 17822 B14R1.827 COC(=O)CCCCOCCC1CO1 7a_100000059025_100000732470 [0,1,0,1,0,0|2,0,0]=4 17823 B14R1.827 COC(=O)CCCCOCC[C@@H]1CO1 34a_100009820653_100000204269 [0,1,0,1,0,0|2,0,0]=4 17824 B14R1.827 COC(=O)CCCCSCCC1CC1 62a_100000204269_100000764125 [0,1,0,1,0,0|1,0,0]=3 17825 B14R1.827 COC(=O)CCCCSCCC1CC1 62a_100000764125_100000204269 [0,1,0,1,0,0|1,0,0]=3 17826 B14R1.827 COC(=O)CCCCSCCC1CO1 62a_100000204269_100000732470 [0,1,0,1,0,0|2,0,0]=4 17827 B14R1.827 COC(=O)CCCCSCCC1CO1 62a_100000732470_100000204269 [0,1,0,1,0,0|2,0,0]=4 17828 B14R1.827 COC(=O)CCCOCCNC1CC1 34a_100000738766_100000742333 [0,1,0,1,0,0|2,0,0]=4 17829 B14R1.827 COC(=O)CCCSCCCC1CO1 62a_100000733510_100011218270 [0,1,0,1,0,0|2,0,0]=4 17830 B14R1.827 COC(=O)CCCSCCCC1CO1 62a_100011218270_100000733510 [0,1,0,1,0,0|2,0,0]=4 17831 B14R1.827 COC(=O)COCCNCCC1CC1 34a_100000764129_100000090808 [0,1,0,1,0,0|2,0,0]=4 17832 B14R1.827 COC(=O)COCCOCCC1CC1 34a_100000754188_100000090808 [0,1,0,1,0,0|2,0,0]=4 17833 B14R1.827 COC(=O)COCCOCCC1CC1 7a_100000754188_100000090808 [0,1,0,1,0,0|2,0,0]=4 17834 B14R1.827 COC(=O)COCCSCCC1CC1 62a_100000090808_100000764125 [0,1,0,1,0,0|2,0,0]=4 17835 B14R1.827 COC(=O)COCCSCCC1CC1 62a_100000764125_100000090808 [0,1,0,1,0,0|2,0,0]=4 17836 B14R1.831 COC(=O)CCCCCN1CCC1C 269982a_100000755817_100009816466 [0,1,0,1,0,0|1,0,0]=3 17837 B14R1.831 COC(=O)CCCCCN1CCC1C 34a_100000755817_100009816466 [0,1,0,1,0,0|1,0,0]=3 17838 B14R1.837 CC1CCCCN1CCNC(=O)CO 240690a_100000739827_100000210174 [0,1,0,1,0,0|2,0,0]=4 17839 B14R1.837 CC1CCCCN1CCNC(=O)CO 527a_100000739827_100000210174 [0,1,0,1,0,0|2,0,0]=4 17840 B14R1.837 CNC(=O)CCCN1CCCCC1C 2230a_100000211376_100000741757 [0,1,0,1,0,0|2,0,0]=4 17841 B14R1.837 CNC(=O)CCCN1CCCCC1C 269982a_100000211376_100000741757 [0,1,0,1,0,0|2,0,0]=4 17842 B14R1.837 CNC(=O)CCCN1CCCCC1C 34a_100000211376_100000741757 [0,1,0,1,0,0|2,0,0]=4 17843 B14R1.837 CNC(=O)CCNC1CCCCC1C 2230a_100000211402_100000737683 [0,1,0,1,0,0|2,0,0]=4 17844 B14R1.837 CNC(=O)CCNC1CCCCC1C 269862a_100000738227_100000210921 [0,1,0,1,0,0|2,0,0]=4 17845 B14R1.837 CNC(=O)CCNC1CCCCC1C 270004a_100000738227_100000210921 [0,1,0,1,0,0|2,0,0]=4 17846 B14R1.837 CNC(=O)CCNC1CCCCC1C 34a_100000211402_100012179268 [0,1,0,1,0,0|2,0,0]=4 17847 B14R1.837 CNC(=O)CCOC1CCCCC1C 34a_100000211207_100012179268 [0,1,0,1,0,0|2,0,0]=4 17848 B14R1.837 CNC(=O)CCOC1CCCCC1C 7a_100000211207_100000737683 [0,1,0,1,0,0|2,0,0]=4 17849 B14R1.837 COC(=O)CCCN1CCCCC1C 2230a_100000211376_100011218270 [0,1,0,1,0,0|1,0,0]=3 17850 B14R1.837 COC(=O)CCCN1CCCCC1C 269982a_100000211376_100011218270 [0,1,0,1,0,0|1,0,0]=3 17851 B14R1.837 COC(=O)CCCN1CCCCC1C 34a_100000211376_100000742333 [0,1,0,1,0,0|1,0,0]=3 17852 B14R1.837 COC(=O)CCCN1CCOC[C@@H]1C 2230a_100009815349_100011218270 [0,1,0,1,0,0|2,0,0]=4 17853 B14R1.837 COC(=O)CCCN1CCOC[C@@H]1C 269982a_100009815349_100011218270 [0,1,0,1,0,0|2,0,0]=4 17854 B14R1.837 COC(=O)CCCN1CCOC[C@@H]1C 34a_100009815349_100000742333 [0,1,0,1,0,0|2,0,0]=4 17855 B14R1.837 COC(=O)CCNC1CCCCC1C 2230a_100000211402_100000204255 [0,1,0,1,0,0|1,0,0]=3 17856 B14R1.837 COC(=O)CCNC1CCCCC1C 34a_100000211402_100000742370 [0,1,0,1,0,0|1,0,0]=3 17857 B14R1.837 COC(=O)CCN[C@@H]1CCCC[C@H]1F 2230a_100015195156_100000204255 [0,1,0,1,0,0|2,0,0]=4 17858 B14R1.837 COC(=O)CCN[C@@H]1CCCC[C@H]1F 34a_100015195156_100000742370 [0,1,0,1,0,0|2,0,0]=4 17859 B14R1.837 COC(=O)CCOC1CCCCC1C 34a_100000211207_100000742370 [0,1,0,1,0,0|1,0,0]=3 17860 B14R1.837 COC(=O)CCOC1CCCCC1C 7a_100000211207_100000204255 [0,1,0,1,0,0|1,0,0]=3 17861 B14R1.837 COC(=O)CCOC1CCCCC1Cl 34a_100000038908_100000742370 [0,1,0,1,0,0|2,0,0]=4 17862 B14R1.837 COC(=O)CCOC1CCCCC1Cl 7a_100000038908_100000204255 [0,1,0,1,0,0|2,0,0]=4 17863 B14R1.837 COC(=O)CCOC1CCNCC1C 34a_100011998114_100000742370 [0,1,0,1,0,0|2,0,0]=4 17864 B14R1.837 COC(=O)CCOC1CNCCC1C 34a_100000696640_100000742370 [0,1,0,1,0,0|2,0,0]=4 17865 B14R1.837 COC(=O)CCO[C@@H]1CCCC[C@H]1F 34a_100009816020_100000742370 [0,1,0,1,0,0|2,0,0]=4 17866 B14R1.837 COC(=O)CCO[C@@H]1CCCC[C@H]1F 7a_100009816020_100000204255 [0,1,0,1,0,0|2,0,0]=4 17867 B14R1.837 COC(=O)CCO[C@H]1CCCC[C@H]1N 34a_100015191688_100000742370 [0,1,0,1,0,0|2,0,0]=4 17868 B14R1.837 COC(=O)CCSC1CCCCC1F 62a_100000204255_100015423560 [0,1,0,1,0,0|2,0,0]=4 17869 B14R1.837 COC(=O)CCSC1CCCCC1F 62a_100015423560_100000204255 [0,1,0,1,0,0|2,0,0]=4 17870 B14R1.837 COC(=O)CCSC1CCCCC1O 62a_100000038908_100000204255 [0,1,0,1,0,0|2,0,0]=4 17871 B14R1.837 COC(=O)CCSC1CCCCC1O 62a_100000204255_100000038908 [0,1,0,1,0,0|2,0,0]=4 17872 B14R1.837 COC(=O)CNCC1CCCCC1O 34a_100011216029_100000747449 [0,1,0,1,0,0|2,0,0]=4 17873 B14R1.837 COC(=O)CNCC1CCCCN1C 34a_100011228421_100000747449 [0,1,0,1,0,0|2,0,0]=4 17874 B14R1.837 COC(=O)COCC1CCCCN1C 34a_100000225079_100000747449 [0,1,0,1,0,0|2,0,0]=4 17875 B14R1.837 COC(=O)CSCC1CCCCN1C 62a_100000747449_100015185383 [0,1,0,1,0,0|2,0,0]=4 17876 B14R1.837 COC(=O)CSCC1CCCCN1C 62a_100015185383_100000747449 [0,1,0,1,0,0|2,0,0]=4 17877 B14R1.845 COC1CCCCCCCCCCC1 34a_100000211378_200000210301 [0,1,0,1,0,0|1,0,1]=4 17878 B14R1.845 COC1CCCCCCCCCCC1 7a_100000211378_200000210301 [0,1,0,1,0,0|1,0,1]=4 17879 B14R1.845 [13CH3]OC1CCCCCCCCCCC1 34a_100000211378_200025704644 [0,1,0,1,0,0|1,0,1]=4 17880 B14R1.845 [13CH3]OC1CCCCCCCCCCC1 7a_100000211378_200025704644 [0,1,0,1,0,0|1,0,1]=4 17881 B14R1.863 CCC(=O)COC1CCCCC1CC 7a_100000210738_100000747405 [0,1,0,1,0,0|2,0,0]=4 17882 B14R1.863 CCC1CCCCC1NCC(=O)NC 269862a_100000693194_100000757040 [0,1,0,1,0,0|2,0,0]=4 17883 B14R1.863 CCC1CCCCC1NCC(=O)NC 270004a_100000693194_100000757040 [0,1,0,1,0,0|2,0,0]=4 17884 B14R1.863 CCC1CCCCC1OCC(=O)NC 34a_100000210738_100000183359 [0,1,0,1,0,0|2,0,0]=4 17885 B14R1.863 CCC1CCCCC1OCC(=O)NC 7a_100000210738_100000183359 [0,1,0,1,0,0|2,0,0]=4 17886 B14R1.863 CCC1CCCCC1OCC(=O)OC 34a_100000210738_100000747449 [0,1,0,1,0,0|1,0,0]=3 17887 B14R1.863 CCC1CCCCC1OCC(=O)OC 7a_100000210738_100000747449 [0,1,0,1,0,0|1,0,0]=3 17888 B14R1.863 CCC1CCCCN1CCC(=O)NC 2230a_100000210034_100000737683 [0,1,0,1,0,0|2,0,0]=4 17889 B14R1.863 CCC1CCCCN1CCC(=O)NC 269982a_100000210034_100000737683 [0,1,0,1,0,0|2,0,0]=4 17890 B14R1.863 CCC1CCCCN1CCC(=O)NC 34a_100000210034_100012179268 [0,1,0,1,0,0|2,0,0]=4 17891 B14R1.863 CCC1CCCCN1CCC(=O)OC 2230a_100000210034_100000204255 [0,1,0,1,0,0|1,0,0]=3 17892 B14R1.863 CCC1CCCCN1CCC(=O)OC 269982a_100000210034_100000204255 [0,1,0,1,0,0|1,0,0]=3 17893 B14R1.863 CCC1CCCCN1CCC(=O)OC 34a_100000210034_100000742370 [0,1,0,1,0,0|1,0,0]=3 17894 B14R1.863 CCN1CCCCC1CNC(=O)CO 240690a_100000754393_100000210174 [0,1,0,1,0,0|2,0,0]=4 17895 B14R1.863 CCN1CCCCC1CNC(=O)CO 527a_100000754393_100000210174 [0,1,0,1,0,0|2,0,0]=4 17896 B14R1.863 CC[C@H]1COCCN1CCC(=O)OC 2230a_100016988097_100000204255 [0,1,0,1,0,0|2,0,0]=4 17897 B14R1.863 CC[C@H]1COCCN1CCC(=O)OC 269982a_100016988097_100000204255 [0,1,0,1,0,0|2,0,0]=4 17898 B14R1.863 CC[C@H]1COCCN1CCC(=O)OC 34a_100016988097_100000742370 [0,1,0,1,0,0|2,0,0]=4 17899 B14R1.863 CN[C@@H]1CCCC[C@H]1OCC(=O)OC 34a_100000708425_100000747449 [0,1,0,1,0,0|2,0,0]=4 17900 B14R1.863 COC(=O)CCN1CCCCC1CO 2230a_100000210821_100000204255 [0,1,0,1,0,0|2,0,0]=4 17901 B14R1.863 COC(=O)CCN1CCCCC1CO 269982a_100000210821_100000204255 [0,1,0,1,0,0|2,0,0]=4 17902 B14R1.863 COC(=O)CCN1CCCCC1CO 34a_100000210821_100000742370 [0,1,0,1,0,0|2,0,0]=4 17903 B14R1.863 COC(=O)CNC1CCCCC1OC 34a_100011208099_100000747449 [0,1,0,1,0,0|2,0,0]=4 17904 B14R1.863 COC(=O)COC1CCCCC1CN 34a_100011216029_100000747449 [0,1,0,1,0,0|2,0,0]=4 17905 B14R1.863 COC(=O)CO[C@H]1CCCC[C@@H]1OC 34a_200009815850_100000747449 [0,1,0,1,0,0|2,0,0]=4 17906 B14R1.863 COC(=O)CO[C@H]1CCCC[C@@H]1OC 7a_200009815850_100000747449 [0,1,0,1,0,0|2,0,0]=4 17907 B14R1.913 CCCCCN1CCC[C@H]1C(=O)NC 2230a_100015185040_100000210326 [0,1,0,1,0,0|2,0,0]=4 17908 B14R1.913 CCCCCN1CCC[C@H]1C(=O)NC 269982a_100015185040_100000210215 [0,1,0,1,0,0|2,0,0]=4 17909 B14R1.913 CCCCCN1CCC[C@H]1C(=O)NC 34a_100015185040_100000718602 [0,1,0,1,0,0|2,0,0]=4 17910 B14R1.913 CCCCCN1CCC[C@H]1C(=O)OC 2230a_100000752040_100000210326 [0,1,0,1,0,0|1,0,0]=3 17911 B14R1.913 CCCCCN1CCC[C@H]1C(=O)OC 269982a_100000752040_100000210215 [0,1,0,1,0,0|1,0,0]=3 17912 B14R1.913 CCCCCN1CCSC1C(=O)OC 2230a_100015296106_100000210326 [0,1,0,1,0,0|2,0,0]=4 17913 B14R1.913 CCCCCN1CCSC1C(=O)OC 269982a_100015296106_100000210215 [0,1,0,1,0,0|2,0,0]=4 17914 B14R1.913 CCCCCN1CSCC1C(=O)OC 269982a_200000724679_100000210215 [0,1,0,1,0,0|2,0,0]=4 17915 B14R1.913 CCCCOC1CCCC1C(=O)OC 34a_200000081814_100000210210 [0,1,0,1,0,0|1,0,0]=3 17916 B14R1.913 CCCCOC1CCCC1C(=O)OC 7a_200000081814_100000210211 [0,1,0,1,0,0|1,0,0]=3 17917 B14R1.913 CCOCCN1CCC[C@H]1C(=O)OC 2230a_100000752040_100011215890 [0,1,0,1,0,0|2,0,0]=4 17918 B14R1.913 CCOCCN1CCC[C@H]1C(=O)OC 269982a_100000752040_100011215890 [0,1,0,1,0,0|2,0,0]=4 17919 B14R1.913 CCSCCN1CCC[C@H]1C(=O)OC 2230a_100000752040_100000757381 [0,1,0,1,0,0|2,0,0]=4 17920 B14R1.913 CCSCCN1CCC[C@H]1C(=O)OC 269982a_100000752040_100000757381 [0,1,0,1,0,0|2,0,0]=4 17921 B14R1.913 COC(=O)C1CCCC1OCCCF 34a_200000081814_100011934791 [0,1,0,1,0,0|2,0,0]=4 17922 B14R1.913 COC(=O)C1CCCC1OCCCF 7a_200000081814_100011934791 [0,1,0,1,0,0|2,0,0]=4 17923 B14R1.913 COC(=O)C1CCCC1OCCCO 34a_200000081814_100000230001 [0,1,0,1,0,0|2,0,0]=4 17924 B14R1.913 COC(=O)C1CCCC1OCCCO 7a_200000081814_100011215043 [0,1,0,1,0,0|2,0,0]=4 17925 B14R1.913 COC(=O)C1CCCC1OCCSC 34a_200000081814_100000212216 [0,1,0,1,0,0|2,0,0]=4 17926 B14R1.913 COC(=O)C1CCCC1OCCSC 7a_200000081814_100000212216 [0,1,0,1,0,0|2,0,0]=4 17927 B14R1.913 COC(=O)[C@@H]1CCCN1CCCCF 2230a_100000752040_100000729493 [0,1,0,1,0,0|2,0,0]=4 17928 B14R1.913 COC(=O)[C@@H]1CCCN1CCCCF 269982a_100000752040_100000729493 [0,1,0,1,0,0|2,0,0]=4 17929 B14R1.913 COC(=O)[C@@H]1CCCN1CCCCO 2230a_100000752040_100000210776 [0,1,0,1,0,0|2,0,0]=4 17930 B14R1.913 COC(=O)[C@@H]1CCCN1CCCCO 269982a_100000752040_100000210776 [0,1,0,1,0,0|2,0,0]=4 17931 B14R1.913 COCCCN1CCC[C@H]1C(=O)OC 2230a_100000752040_100000740836 [0,1,0,1,0,0|2,0,0]=4 17932 B14R1.913 COCCCN1CCC[C@H]1C(=O)OC 269982a_100000752040_100000740836 [0,1,0,1,0,0|2,0,0]=4 17933 B14R1.913 COCCOC1CCCC1C(=O)OC 34a_200000081814_100011201679 [0,1,0,1,0,0|2,0,0]=4 17934 B14R1.913 COCCOC1CCCC1C(=O)OC 7a_200000081814_100000233755 [0,1,0,1,0,0|2,0,0]=4 17935 B14R1.1224 CCC(=O)CN1CCCCCCCC1 269982a_100000039187_100000747405 [0,1,0,1,0,0|2,0,0]=4 17936 B14R1.1224 CNC(=O)CN1CCCCCCCC1 2230a_100000039187_100000183359 [0,1,0,1,0,0|2,0,0]=4 17937 B14R1.1224 CNC(=O)CN1CCCCCCCC1 269982a_100000039187_100000183359 [0,1,0,1,0,0|2,0,0]=4 17938 B14R1.1224 CNC(=O)CN1CCCCCCCC1 34a_100000039187_100000183359 [0,1,0,1,0,0|2,0,0]=4 17939 B14R1.1224 COC(=O)CN1CCCCCCCC1 2230a_100000039187_100000747449 [0,1,0,1,0,0|1,0,0]=3 17940 B14R1.1224 COC(=O)CN1CCCCCCCC1 269982a_100000039187_100000747449 [0,1,0,1,0,0|1,0,0]=3 17941 B14R1.1224 COC(=O)CN1CCCCCCCC1 34a_100000039187_100000747449 [0,1,0,1,0,0|1,0,0]=3 17942 B14R1.1586 C=CC(=O)NCCC1CCCCCC1 1626a_100011532351_100000185746 [0,1,0,1,0,0|2,0,0]=4 17943 B14R1.1586 C=CC(=O)NCCC1CCCCCC1 240690a_100011532351_200121576911 [0,1,0,1,0,0|2,0,0]=4 17944 B14R1.1586 CCC(=O)COCC1CCCCCC1 34a_100000725409_200000696569 [0,1,0,1,0,0|2,0,0]=4 17945 B14R1.1586 CCC(=O)COCC1CCCCCC1 7a_100000699130_100000747405 [0,1,0,1,0,0|2,0,0]=4 17946 B14R1.1586 CCC(=O)CSCC1CCCCCC1 62a_100000747405_200000696569 [0,1,0,1,0,0|2,0,0]=4 17947 B14R1.1586 CCC(=O)CSCC1CCCCCC1 62a_200000696569_100000747405 [0,1,0,1,0,0|2,0,0]=4 17948 B14R1.1586 CCC(=O)NCCC1CCCCCC1 11a_100011532351_100000210414 [0,1,0,1,0,0|2,0,0]=4 17949 B14R1.1586 CCC(=O)NCCC1CCCCCC1 1626a_100011532351_100000210414 [0,1,0,1,0,0|2,0,0]=4 17950 B14R1.1586 CCC(=O)NCCC1CCCCCC1 240690a_100011532351_100000210414 [0,1,0,1,0,0|2,0,0]=4 17951 B14R1.1586 CCC(=O)NCCC1CCCCCC1 527a_100011532351_100000210414 [0,1,0,1,0,0|2,0,0]=4 17952 B14R1.1586 CNC(=O)CCCN1CCCCCC1 2230a_100000185865_100000741757 [0,1,0,1,0,0|2,0,0]=4 17953 B14R1.1586 CNC(=O)CCCN1CCCCCC1 269982a_100000185865_100000741757 [0,1,0,1,0,0|2,0,0]=4 17954 B14R1.1586 CNC(=O)CCCN1CCCCCC1 34a_100000185865_100000741757 [0,1,0,1,0,0|2,0,0]=4 17955 B14R1.1586 CNC(=O)CCNC1CCCCCC1 2230a_100000210984_100000737683 [0,1,0,1,0,0|2,0,0]=4 17956 B14R1.1586 CNC(=O)CCNC1CCCCCC1 270004a_100000738227_100000210131 [0,1,0,1,0,0|2,0,0]=4 17957 B14R1.1586 CNC(=O)CCNC1CCCCCC1 34a_100000210984_100012179268 [0,1,0,1,0,0|2,0,0]=4 17958 B14R1.1586 CNC(=O)CCNC1CCCCCC1 34a_100000738227_100011217769 [0,1,0,1,0,0|2,0,0]=4 17959 B14R1.1586 CNC(=O)CCOC1CCCCCC1 34a_100000210887_100012179268 [0,1,0,1,0,0|2,0,0]=4 17960 B14R1.1586 CNC(=O)CCOC1CCCCCC1 34a_100000754576_100011217769 [0,1,0,1,0,0|2,0,0]=4 17961 B14R1.1586 CNC(=O)CCOC1CCCCCC1 7a_100000210887_100000737683 [0,1,0,1,0,0|2,0,0]=4 17962 B14R1.1586 CNC(=O)CCSC1CCCCCC1 62a_100000737683_100011217769 [0,1,0,1,0,0|2,0,0]=4 17963 B14R1.1586 CNC(=O)CCSC1CCCCCC1 62a_100011217769_100000737683 [0,1,0,1,0,0|2,0,0]=4 17964 B14R1.1586 CNC(=O)CNCC1CCCCCC1 2230a_100000693194_200000696569 [0,1,0,1,0,0|2,0,0]=4 17965 B14R1.1586 CNC(=O)CNCC1CCCCCC1 2230a_100015204231_100000183359 [0,1,0,1,0,0|2,0,0]=4 17966 B14R1.1586 CNC(=O)CNCC1CCCCCC1 269862a_100000693194_200000763224 [0,1,0,1,0,0|2,0,0]=4 17967 B14R1.1586 CNC(=O)CNCC1CCCCCC1 34a_100015204231_100000183359 [0,1,0,1,0,0|2,0,0]=4 17968 B14R1.1586 CNC(=O)COCC1CCCCCC1 34a_100000699130_100000183359 [0,1,0,1,0,0|2,0,0]=4 17969 B14R1.1586 CNC(=O)COCC1CCCCCC1 34a_100000750040_200000696569 [0,1,0,1,0,0|2,0,0]=4 17970 B14R1.1586 CNC(=O)COCC1CCCCCC1 7a_100000699130_100000183359 [0,1,0,1,0,0|2,0,0]=4 17971 B14R1.1586 CNC(=O)CSCC1CCCCCC1 62a_100000183359_200000696569 [0,1,0,1,0,0|2,0,0]=4 17972 B14R1.1586 CNC(=O)CSCC1CCCCCC1 62a_200000696569_100000183359 [0,1,0,1,0,0|2,0,0]=4 17973 B14R1.1586 CNC(=O)NCCC1CCCCCC1 2708a_100011532351_106832991635 [0,1,0,1,0,0|2,0,0]=4 17974 B14R1.1586 CNC(=O)NCCC1CCCCCC1 2708a_100102657272_100011532351 [0,1,0,1,0,0|2,0,0]=4 17975 B14R1.1586 CNC(=O)NCCC1CCCCCC1 273464a_100011532351_100102657272 [0,1,0,1,0,0|2,0,0]=4 17976 B14R1.1586 CNC(=O)NCCC1CCCCCC1 273464a_100102657272_100011532351 [0,1,0,1,0,0|2,0,0]=4 17977 B14R1.1586 CNC(=O)NCCC1CCCCCC1 512a_106832991638_100011532351 [0,1,0,1,0,0|2,0,0]=4 17978 B14R1.1586 COC(=O)CCCN1CCCCCC1 2230a_100000185865_100011218270 [0,1,0,1,0,0|1,0,0]=3 17979 B14R1.1586 COC(=O)CCCN1CCCCCC1 269982a_100000185865_100011218270 [0,1,0,1,0,0|1,0,0]=3 17980 B14R1.1586 COC(=O)CCCN1CCCCCC1 34a_100000185865_100000742333 [0,1,0,1,0,0|1,0,0]=3 17981 B14R1.1586 COC(=O)CCCN1CCCOCC1 2230a_100000685342_100011218270 [0,1,0,1,0,0|2,0,0]=4 17982 B14R1.1586 COC(=O)CCCN1CCCOCC1 269982a_100000685342_100011218270 [0,1,0,1,0,0|2,0,0]=4 17983 B14R1.1586 COC(=O)CCCN1CCCOCC1 34a_100000685342_100000742333 [0,1,0,1,0,0|2,0,0]=4 17984 B14R1.1586 COC(=O)CCNC1CCCCCC1 2230a_100000210984_100000204255 [0,1,0,1,0,0|1,0,0]=3 17985 B14R1.1586 COC(=O)CCNC1CCCCCC1 34a_100000210984_100000742370 [0,1,0,1,0,0|1,0,0]=3 17986 B14R1.1586 COC(=O)CCOC1CCCCCC1 34a_100000210887_100000742370 [0,1,0,1,0,0|1,0,0]=3 17987 B14R1.1586 COC(=O)CCOC1CCCCCC1 7a_100000210887_100000204255 [0,1,0,1,0,0|1,0,0]=3 17988 B14R1.1586 COC(=O)CCSC1CCCCCC1 62a_100000204255_100011217769 [0,1,0,1,0,0|1,0,0]=3 17989 B14R1.1586 COC(=O)CCSC1CCCCCC1 62a_100011217769_100000204255 [0,1,0,1,0,0|1,0,0]=3 17990 B14R1.1586 COC(=O)CNCC1CCCCCC1 2230a_100015204231_100000747449 [0,1,0,1,0,0|1,0,0]=3 17991 B14R1.1586 COC(=O)CNCC1CCCCCC1 34a_100015204231_100000747449 [0,1,0,1,0,0|1,0,0]=3 17992 B14R1.1586 COC(=O)COCC1CCCCCC1 34a_100000699130_100000747449 [0,1,0,1,0,0|1,0,0]=3 17993 B14R1.1586 COC(=O)COCC1CCCCCC1 7a_100000699130_100000747449 [0,1,0,1,0,0|1,0,0]=3 17994 B14R1.1586 COC(=O)CSCC1CCCCCC1 62a_100000747449_200000696569 [0,1,0,1,0,0|1,0,0]=3 17995 B14R1.1586 COC(=O)CSCC1CCCCCC1 62a_200000696569_100000747449 [0,1,0,1,0,0|1,0,0]=3 17996 B14R1.1586 COC(=O)OCSC1CCCCCC1 62a_100011217769_100000139417 [0,1,0,1,0,0|2,0,0]=4 17997 B14R1.1586 NC(=NO)CCOC1CCCCCC1 34a_100000749954_100011217769 [0,1,0,1,0,0|2,0,0]=4 17998 B14R1.1586 O=C(CO)NCCC1CCCCCC1 240690a_100011532351_100000210174 [0,1,0,1,0,0|1,0,0]=3 17999 B14R1.1586 O=C(CO)NCCC1CCCCCC1 527a_100011532351_100000210174 [0,1,0,1,0,0|1,0,0]=3 18000 B14R1.1586 O=C(CO)NCCN1CCCCCC1 240690a_100000738142_100000210174 [0,1,0,1,0,0|2,0,0]=4 18001 B14R1.1586 O=C(CO)NCCN1CCCCCC1 527a_100000738142_100000210174 [0,1,0,1,0,0|2,0,0]=4 18002 B14R1.2350 CCCCCCCN1CC1C(=O)OC 2230a_200009830135_100000210681 [0,1,0,1,0,0|1,0,0]=3 18003 B14R1.2350 CCCCOCCN1CC1C(=O)OC 2230a_200009830135_100000743108 [0,1,0,1,0,0|2,0,0]=4 18004 B14R1.2350 COC(=O)C1CN1CCCCCCF 2230a_200009830135_100015922095 [0,1,0,1,0,0|2,0,0]=4 18005 B14R1.2350 COC(=O)C1CN1CCCCCCO 2230a_200009830135_100000766143 [0,1,0,1,0,0|2,0,0]=4 18006 B14R1.4297 CCCCCCN1CC[C@H]1C(=O)OC 2230a_102516456887_100000210314 [0,1,0,1,0,0|1,0,0]=3 18007 B14R1.4297 CCCCCCN1CC[C@H]1C(=O)OC 269982a_102516456887_100000210757 [0,1,0,1,0,0|1,0,0]=3 18008 B14R1.4297 CCCCOCN1CC[C@H]1C(=O)OC 2230a_102516456887_100011995733 [0,1,0,1,0,0|2,0,0]=4 18009 B14R1.4297 CCCCOCN1CC[C@H]1C(=O)OC 269982a_102516456887_100011995733 [0,1,0,1,0,0|2,0,0]=4 18010 B14R1.4297 CCCOCCN1CC[C@H]1C(=O)OC 2230a_102516456887_100011215938 [0,1,0,1,0,0|2,0,0]=4 18011 B14R1.4297 CCCOCCN1CC[C@H]1C(=O)OC 269982a_102516456887_100011215938 [0,1,0,1,0,0|2,0,0]=4 18012 B14R1.4297 CCOCCCN1CC[C@H]1C(=O)OC 2230a_102516456887_100012232248 [0,1,0,1,0,0|2,0,0]=4 18013 B14R1.4297 CCOCCCN1CC[C@H]1C(=O)OC 269982a_102516456887_100012232248 [0,1,0,1,0,0|2,0,0]=4 18014 B14R1.4297 COC(=O)[C@@H]1CCN1CCCCCF 2230a_102516456887_100000729378 [0,1,0,1,0,0|2,0,0]=4 18015 B14R1.4297 COC(=O)[C@@H]1CCN1CCCCCF 269982a_102516456887_100000729378 [0,1,0,1,0,0|2,0,0]=4 18016 B14R1.4297 COC(=O)[C@@H]1CCN1CCCCCO 2230a_102516456887_100000746330 [0,1,0,1,0,0|2,0,0]=4 18017 B14R1.4297 COC(=O)[C@@H]1CCN1CCCCCO 269982a_102516456887_100000746330 [0,1,0,1,0,0|2,0,0]=4 18018 B14R1.4297 COCCCCN1CC[C@H]1C(=O)OC 2230a_102516456887_100000730899 [0,1,0,1,0,0|2,0,0]=4 18019 B14R1.4297 COCCCCN1CC[C@H]1C(=O)OC 269982a_102516456887_100000730899 [0,1,0,1,0,0|2,0,0]=4 18020 B14R1.7684 CCC(=O)CCN1CCCCCCC1 1458a_200015187237_100000210202 [0,1,0,1,0,0|2,0,0]=4 18021 B14R1.7684 CCC(=O)COC1CCCCCCC1 7a_100000210054_100000747405 [0,1,0,1,0,0|2,0,0]=4 18022 B14R1.7684 CNC(=O)CCN1CCCCCCC1 2230a_100000211400_100000737683 [0,1,0,1,0,0|2,0,0]=4 18023 B14R1.7684 CNC(=O)CCN1CCCCCCC1 240690a_100102657272_200015187237 [0,1,0,1,0,0|2,0,0]=4 18024 B14R1.7684 CNC(=O)CCN1CCCCCCC1 269982a_100000211400_100000737683 [0,1,0,1,0,0|2,0,0]=4 18025 B14R1.7684 CNC(=O)CCN1CCCCCCC1 34a_100000211400_100012179268 [0,1,0,1,0,0|2,0,0]=4 18026 B14R1.7684 CNC(=O)CNC1CCCCCCC1 2230a_100000211152_100000183359 [0,1,0,1,0,0|2,0,0]=4 18027 B14R1.7684 CNC(=O)CNC1CCCCCCC1 270004a_100000693194_100000210524 [0,1,0,1,0,0|2,0,0]=4 18028 B14R1.7684 CNC(=O)CNC1CCCCCCC1 34a_100000211152_100000183359 [0,1,0,1,0,0|2,0,0]=4 18029 B14R1.7684 CNC(=O)COC1CCCCCCC1 34a_100000210054_100000183359 [0,1,0,1,0,0|2,0,0]=4 18030 B14R1.7684 CNC(=O)COC1CCCCCCC1 7a_100000210054_100000183359 [0,1,0,1,0,0|2,0,0]=4 18031 B14R1.7684 COC(=O)CCN1CCCCCCC1 2230a_100000211400_100000204255 [0,1,0,1,0,0|1,0,0]=3 18032 B14R1.7684 COC(=O)CCN1CCCCCCC1 269982a_100000211400_100000204255 [0,1,0,1,0,0|1,0,0]=3 18033 B14R1.7684 COC(=O)CCN1CCCCCCC1 34a_100000211400_100000742370 [0,1,0,1,0,0|1,0,0]=3 18034 B14R1.7684 COC(=O)CNC1CCCCCCC1 2230a_100000211152_100000747449 [0,1,0,1,0,0|1,0,0]=3 18035 B14R1.7684 COC(=O)CNC1CCCCCCC1 34a_100000211152_100000747449 [0,1,0,1,0,0|1,0,0]=3 18036 B14R1.7684 COC(=O)COC1CCCCCCC1 34a_100000210054_100000747449 [0,1,0,1,0,0|1,0,0]=3 18037 B14R1.7684 COC(=O)COC1CCCCCCC1 7a_100000210054_100000747449 [0,1,0,1,0,0|1,0,0]=3 18038 B14R1.7684 O=C(CF)CCN1CCCCCCC1 1458a_200015187237_100015361967 [0,1,0,1,0,0|2,0,0]=4 18039 B14R1.161 CC(CNC1CCCCC1F)C(=O)O 269956a_100000749485_100015423560 [0,1,0,1,0,0|2,0,0]=4 18040 B14R1.161 CC(CNC1CCCCC1O)C(=O)O 269956a_100000749485_100000038908 [0,1,0,1,0,0|2,0,0]=4 18041 B14R1.161 C[C@H](NCC1CCCCN1C)C(=O)O 269956a_100000743915_100015185383 [0,1,0,1,0,0|2,0,0]=4 18042 B14R1.161 O=C(O)C(F)CNC1CCCCC1F 269956a_100000084737_100015423560 [0,1,0,1,0,0|2,0,0]=4 18043 B14R1.161 O=C(O)C(F)CNC1CCCCC1O 269956a_100000084737_100000038908 [0,1,0,1,0,0|2,0,0]=4 18044 B14R1.239 C[C@H](NCCC1CCCN1C)C(=O)O 269956a_100000743915_100000005710 [0,1,0,1,0,0|2,0,0]=4 18045 B14R1.481 CCCC1CCCCN1C(C)C(=O)C 2230a_100000701414_100009814033 [0,1,0,1,0,0|2,0,0]=4 18046 B14R1.481 CCCC1CCCCN1C(C)C(=O)C 269982a_100000701414_100009814033 [0,1,0,1,0,0|2,0,0]=4 18047 B14R1.481 CCCC1CCCCN1C(C)C(=O)N 2230a_100000701414_100000702099 [0,1,0,1,0,0|2,0,0]=4 18048 B14R1.481 CCCC1CCCCN1C(C)C(=O)N 269982a_100000701414_100000184083 [0,1,0,1,0,0|2,0,0]=4 18049 B14R1.481 CCCC1CCCCN1C(C)C(=O)N 34a_100000701414_100000702099 [0,1,0,1,0,0|2,0,0]=4 18050 B14R1.481 CCCC1CCCCN1C(F)C(=O)N 2230a_100000701414_100009813875 [0,1,0,1,0,0|2,0,0]=4 18051 B14R1.481 CCCC1CCCCN1C(F)C(=O)N 269982a_100000701414_100009813875 [0,1,0,1,0,0|2,0,0]=4 18052 B14R1.481 CCCC1CCCCN1C(F)C(=O)N 34a_100000701414_100009813875 [0,1,0,1,0,0|2,0,0]=4 18053 B14R1.481 CCCC1CCCCN1C(F)C(=O)[O-] 34a_100000701414_100020610796 [0,1,0,1,0,0|1,0,1]=4 18054 B14R1.899 CCCCCN1CCCC(C1)C(=O)N 2230a_100000195536_100000210326 [0,1,0,1,0,0|2,0,0]=4 18055 B14R1.899 CCCCCN1CCCC(C1)C(=O)N 269982a_100000195536_100000210215 [0,1,0,1,0,0|2,0,0]=4 18056 B14R1.899 CCCCCN1CCCC(C1)C(=O)N 34a_100000195536_100000718602 [0,1,0,1,0,0|2,0,0]=4 18057 B14R1.899 CCCCNC1CCCC(C1)C(=O)N 2230a_100000749473_100000210211 [0,1,0,1,0,0|2,0,0]=4 18058 B14R1.899 CCCCNC1CCCC(C1)C(=O)N 34a_100000749473_100000210210 [0,1,0,1,0,0|2,0,0]=4 18059 B14R1.899 CCCCNC1CCCC(C1)C(=O)O 269956a_100011216634_100000210211 [0,1,0,1,0,0|1,0,0]=3 18060 B14R1.899 CCOCNC1CCCC(C1)C(=O)O 269956a_100011216634_100000739092 [0,1,0,1,0,0|2,0,0]=4 18061 B14R1.899 COCCNC1CCCC(C1)C(=O)O 269956a_100011216634_100000233755 [0,1,0,1,0,0|2,0,0]=4 18062 B14R1.899 CSCCNC1CCCC(C1)C(=O)O 269956a_100011216634_100000212216 [0,1,0,1,0,0|2,0,0]=4 18063 B14R1.899 O=C(O)C1CCCC(C1)NCCCF 269956a_100011216634_100011934791 [0,1,0,1,0,0|2,0,0]=4 18064 B14R1.899 O=C(O)C1CCCC(C1)NCCCO 269956a_100011216634_100011215043 [0,1,0,1,0,0|2,0,0]=4 18065 B14R1.1375 CC1(CCCCN1CCCF)C(=O)O 269956a_100000698061_100011934791 [0,1,0,1,0,0|2,0,0]=4 18066 B14R1.1375 CC1(CCCCN1CCCO)C(=O)O 269956a_100000698061_100011215043 [0,1,0,1,0,0|2,0,0]=4 18067 B14R1.1375 CCCCN1CCCCC1(C)C(=O)O 269956a_100000698061_100000210211 [0,1,0,1,0,0|1,0,0]=3 18068 B14R1.1375 CCOCN1CCCCC1(C)C(=O)O 269956a_100000698061_100000739092 [0,1,0,1,0,0|2,0,0]=4 18069 B14R1.1375 COCCN1CCCCC1(C)C(=O)O 269956a_100000698061_100000233755 [0,1,0,1,0,0|2,0,0]=4 18070 B14R1.1375 CSCCN1CCCCC1(C)C(=O)O 269956a_100000698061_100000212216 [0,1,0,1,0,0|2,0,0]=4 18071 B14R1.2354 CCCCCCCN1CC(C1)C(=O)N 34a_100025753142_100000210614 [0,1,0,1,0,0|2,0,0]=4 18072 B14R1.2354 CCCCCCN[C@H]1C[C@H](C1)C(=O)O 269956a_100000738708_100000210757 [0,1,0,1,0,0|1,0,0]=3 18073 B14R1.2354 CCCCOCN[C@H]1C[C@H](C1)C(=O)O 269956a_100000738708_100011995733 [0,1,0,1,0,0|2,0,0]=4 18074 B14R1.2354 CCCOCCN[C@H]1C[C@H](C1)C(=O)O 269956a_100000738708_100011215938 [0,1,0,1,0,0|2,0,0]=4 18075 B14R1.2354 CCOCCCN[C@H]1C[C@H](C1)C(=O)O 269956a_100000738708_100012232248 [0,1,0,1,0,0|2,0,0]=4 18076 B14R1.2354 COCCCCN[C@H]1C[C@H](C1)C(=O)O 269956a_100000738708_100000730899 [0,1,0,1,0,0|2,0,0]=4 18077 B14R1.2354 O=C(O)[C@H]1C[C@H](C1)NCCCCCF 269956a_100000738708_100000729378 [0,1,0,1,0,0|2,0,0]=4 18078 B14R1.2354 O=C(O)[C@H]1C[C@H](C1)NCCCCCO 269956a_100000738708_100000746330 [0,1,0,1,0,0|2,0,0]=4 18079 B14R1.2455 CCCCCN1CCC[C@@]1(C)C(=O)O 269956a_100009816582_100000210326 [0,1,0,1,0,0|1,0,0]=3 18080 B14R1.2455 CCOCCN1CCC[C@@]1(C)C(=O)O 269956a_100009816582_100000210147 [0,1,0,1,0,0|2,0,0]=4 18081 B14R1.2455 CCSCCN1CCC[C@@]1(C)C(=O)O 269956a_100009816582_100000757381 [0,1,0,1,0,0|2,0,0]=4 18082 B14R1.2455 COCCCN1CCC[C@@]1(C)C(=O)O 269956a_100009816582_100000740836 [0,1,0,1,0,0|2,0,0]=4 18083 B14R1.2455 C[C@]1(CCCN1CCCCF)C(=O)O 269956a_100009816582_100000729493 [0,1,0,1,0,0|2,0,0]=4 18084 B14R1.2455 C[C@]1(CCCN1CCCCO)C(=O)O 269956a_100009816582_100000210776 [0,1,0,1,0,0|2,0,0]=4 18085 B14R1.3135 CCC1CCCCC1N[C@H](C)C(=O)N 270004a_100000119354_100000757040 [0,1,0,1,0,0|2,0,0]=4 18086 B14R1.3135 CCC1CCCCC1OC(C)C(=O)C 7a_100000210738_100000179758 [0,1,0,1,0,0|2,0,0]=4 18087 B14R1.3135 CCC1CCCCC1OC(C)C(=O)N 34a_100000210738_100000702099 [0,1,0,1,0,0|2,0,0]=4 18088 B14R1.3135 CCC1CCCCC1OC(C)C(=O)N 7a_100000210738_100000702099 [0,1,0,1,0,0|2,0,0]=4 18089 B14R1.3135 CCC1CCCCC1OC(F)C(=O)N 34a_100000210738_100009813875 [0,1,0,1,0,0|2,0,0]=4 18090 B14R1.3135 CCC1CCCCC1OC(F)C(=O)N 7a_100000210738_100009813875 [0,1,0,1,0,0|2,0,0]=4 18091 B14R1.3135 CCC1CCCCC1OC(F)C(=O)[O-] 34a_100000210738_100020610796 [0,1,0,1,0,0|1,0,1]=4 18092 B14R1.3218 CC(=O)C(C)COCCC1CCCC1 34a_100000032740_100000760354 [0,1,0,1,0,0|2,0,0]=4 18093 B14R1.3218 CC(=O)C(C)COCCC1CCCC1 7a_100000032740_100000760354 [0,1,0,1,0,0|2,0,0]=4 18094 B14R1.3218 CC(=O)C(C)NCCCC1CCCC1 2230a_100000736752_100009814033 [0,1,0,1,0,0|2,0,0]=4 18095 B14R1.3218 CC(=O)C(C)OCCCC1CCCC1 34a_100000212229_100011713738 [0,1,0,1,0,0|2,0,0]=4 18096 B14R1.3218 CC(=O)C(C)OCCCC1CCCC1 7a_100011215328_100000179758 [0,1,0,1,0,0|2,0,0]=4 18097 B14R1.3218 CC(=O)C(C)SCCCC1CCCC1 62a_100009814033_100011713738 [0,1,0,1,0,0|2,0,0]=4 18098 B14R1.3218 CC(=O)C(C)SCCCC1CCCC1 62a_100011713738_100009814033 [0,1,0,1,0,0|2,0,0]=4 18099 B14R1.3218 CC(CNCCC1CCCC1)C(=O)O 269956a_100000749485_100000760354 [0,1,0,1,0,0|1,0,0]=3 18100 B14R1.3218 CC(CNCCN1CCCC1)C(=O)O 269956a_100000749485_100000004467 [0,1,0,1,0,0|2,0,0]=4 18101 B14R1.3218 CC(NCCCC1CCCC1)C(=O)N 2230a_100000736752_100000702099 [0,1,0,1,0,0|2,0,0]=4 18102 B14R1.3218 CC(NCCCC1CCCC1)C(=O)N 34a_100000736752_100000702099 [0,1,0,1,0,0|2,0,0]=4 18103 B14R1.3218 CC(OCCCC1CCCC1)C(=O)N 34a_100011215328_100000702099 [0,1,0,1,0,0|2,0,0]=4 18104 B14R1.3218 CC(OCCCC1CCCC1)C(=O)N 7a_100011215328_100000702099 [0,1,0,1,0,0|2,0,0]=4 18105 B14R1.3218 CC(SCCCC1CCCC1)C(=O)N 62a_100000702099_100011713738 [0,1,0,1,0,0|2,0,0]=4 18106 B14R1.3218 CC(SCCCC1CCCC1)C(=O)N 62a_100011713738_100000702099 [0,1,0,1,0,0|2,0,0]=4 18107 B14R1.3218 C[C@@H](NCCCC1CCCC1)C(=O)N 2230a_100000119354_100011713738 [0,1,0,1,0,0|2,0,0]=4 18108 B14R1.3218 C[C@@H](NCCCC1CCCC1)C(=O)N 34a_100000119354_100011713738 [0,1,0,1,0,0|2,0,0]=4 18109 B14R1.3218 C[C@@H](OCCCC1CCCC1)C(=O)N 34a_100000731257_100011713738 [0,1,0,1,0,0|2,0,0]=4 18110 B14R1.3218 C[C@@H](OCCCC1CCCC1)C(=O)N 7a_100000731257_100011713738 [0,1,0,1,0,0|2,0,0]=4 18111 B14R1.3218 C[C@H](NCCCC1CCCC1)C(=O)O 269956a_100000743915_100011713738 [0,1,0,1,0,0|1,0,0]=3 18112 B14R1.3218 C[C@H](NCCCN1CCCC1)C(=O)O 269956a_100000743915_100011445909 [0,1,0,1,0,0|2,0,0]=4 18113 B14R1.3218 C[C@H](OCCCC1CCCC1)C(=O)[O-] 7a_217856618621_100011713738 [0,1,0,1,0,0|1,0,1]=4 18114 B14R1.3218 NC(=O)C(F)NCCCC1CCCC1 2230a_100000736752_100009813875 [0,1,0,1,0,0|2,0,0]=4 18115 B14R1.3218 NC(=O)C(F)NCCCC1CCCC1 34a_100000736752_100009813875 [0,1,0,1,0,0|2,0,0]=4 18116 B14R1.3218 NC(=O)C(F)OCCCC1CCCC1 34a_100011215328_100009813875 [0,1,0,1,0,0|2,0,0]=4 18117 B14R1.3218 NC(=O)C(F)OCCCC1CCCC1 7a_100011215328_100009813875 [0,1,0,1,0,0|2,0,0]=4 18118 B14R1.3218 NC(=O)C(F)SCCCC1CCCC1 62a_100009813875_100011713738 [0,1,0,1,0,0|2,0,0]=4 18119 B14R1.3218 NC(=O)C(F)SCCCC1CCCC1 62a_100011713738_100009813875 [0,1,0,1,0,0|2,0,0]=4 18120 B14R1.3218 NC(=O)[C@@H](N)COCCC1CCCC1 34a_100000729942_100000760354 [0,1,0,1,0,0|2,0,0]=4 18121 B14R1.3218 O=C(O)C(F)CNCCC1CCCC1 269956a_100000084737_100000760354 [0,1,0,1,0,0|1,0,0]=3 18122 B14R1.3218 O=C(O)C(F)CNCCN1CCCC1 269956a_100000084737_100000004467 [0,1,0,1,0,0|2,0,0]=4 18123 B14R1.3218 O=C([O-])C(F)NCCCC1CCCC1 34a_100000736752_100020610796 [0,1,0,1,0,0|1,0,1]=4 18124 B14R1.3218 O=C([O-])C(F)OCCCC1CCCC1 34a_100011215328_100020610796 [0,1,0,1,0,0|1,0,1]=4 18125 B14R1.3218 O=C([O-])C(F)SCCCC1CCCC1 62a_100011713738_100020610796 [0,1,0,1,0,0|1,0,1]=4 18126 B14R1.3218 O=C([O-])C(F)SCCCC1CCCC1 62a_100020610796_100011713738 [0,1,0,1,0,0|1,0,1]=4 18127 B14R1.4217 CCCC1CCCC1N[C@H](C)C(=O)N 270004a_100000119354_100000723119 [0,1,0,1,0,0|2,0,0]=4 18128 B14R1.6449 CC(=O)C(C)COCC1CCCCC1 34a_100000032740_100000211423 [0,1,0,1,0,0|2,0,0]=4 18129 B14R1.6449 CC(=O)C(C)COCC1CCCCC1 7a_100000032740_100000211423 [0,1,0,1,0,0|2,0,0]=4 18130 B14R1.6449 CC(=O)C(C)NCCC1CCCCC1 2230a_100000738074_100009814033 [0,1,0,1,0,0|2,0,0]=4 18131 B14R1.6449 CC(=O)C(C)OCCC1CCCCC1 34a_100000212229_100011209188 [0,1,0,1,0,0|2,0,0]=4 18132 B14R1.6449 CC(=O)C(C)OCCC1CCCCC1 7a_100011217863_100000179758 [0,1,0,1,0,0|2,0,0]=4 18133 B14R1.6449 CC(=O)C(C)SCCC1CCCCC1 62a_100009814033_100012355289 [0,1,0,1,0,0|2,0,0]=4 18134 B14R1.6449 CC(=O)C(C)SCCC1CCCCC1 62a_100012355289_100009814033 [0,1,0,1,0,0|2,0,0]=4 18135 B14R1.6449 CC(CNCC1CCCCC1)C(=O)O 269956a_100000749485_100000211423 [0,1,0,1,0,0|1,0,0]=3 18136 B14R1.6449 CC(CNCC1CCCCO1)C(=O)O 269956a_100000749485_100000211543 [0,1,0,1,0,0|2,0,0]=4 18137 B14R1.6449 CC(CNCC1CCCOC1)C(=O)O 269956a_100000749485_100000741521 [0,1,0,1,0,0|2,0,0]=4 18138 B14R1.6449 CC(CNCC1CCOCC1)C(=O)O 269956a_100000749485_100000754603 [0,1,0,1,0,0|2,0,0]=4 18139 B14R1.6449 CC(NCCC1CCCCC1)C(=O)N 2230a_100000738074_100000702099 [0,1,0,1,0,0|2,0,0]=4 18140 B14R1.6449 CC(NCCC1CCCCC1)C(=O)N 34a_100000738074_100000702099 [0,1,0,1,0,0|2,0,0]=4 18141 B14R1.6449 CC(OCCC1CCCCC1)C(=O)N 34a_100011217863_100000702099 [0,1,0,1,0,0|2,0,0]=4 18142 B14R1.6449 CC(OCCC1CCCCC1)C(=O)N 7a_100011217863_100000702099 [0,1,0,1,0,0|2,0,0]=4 18143 B14R1.6449 CC(SCCC1CCCCC1)C(=O)N 62a_100000702099_100012355289 [0,1,0,1,0,0|2,0,0]=4 18144 B14R1.6449 CC(SCCC1CCCCC1)C(=O)N 62a_100012355289_100000702099 [0,1,0,1,0,0|2,0,0]=4 18145 B14R1.6449 C[C@@H](NCCC1CCCCC1)C(=O)N 2230a_100000119354_100012355289 [0,1,0,1,0,0|2,0,0]=4 18146 B14R1.6449 C[C@@H](NCCC1CCCCC1)C(=O)N 270004a_100000119354_100011713444 [0,1,0,1,0,0|2,0,0]=4 18147 B14R1.6449 C[C@@H](NCCC1CCCCC1)C(=O)N 34a_100000119354_100011209188 [0,1,0,1,0,0|2,0,0]=4 18148 B14R1.6449 C[C@@H](OCCC1CCCCC1)C(=O)N 34a_100000731257_100011209188 [0,1,0,1,0,0|2,0,0]=4 18149 B14R1.6449 C[C@@H](OCCC1CCCCC1)C(=O)N 7a_100000731257_100011273959 [0,1,0,1,0,0|2,0,0]=4 18150 B14R1.6449 C[C@H](NCCC1CCCCC1)C(=O)O 269956a_100000743915_100011273959 [0,1,0,1,0,0|1,0,0]=3 18151 B14R1.6449 C[C@H](NCCC1CCOCC1)C(=O)O 269956a_100000743915_100011934994 [0,1,0,1,0,0|2,0,0]=4 18152 B14R1.6449 C[C@H](NCCN1CCCCC1)C(=O)O 269956a_100000743915_100000739454 [0,1,0,1,0,0|2,0,0]=4 18153 B14R1.6449 C[C@H](NCOC1CCCCC1)C(=O)O 269956a_100000743915_100011935260 [0,1,0,1,0,0|2,0,0]=4 18154 B14R1.6449 C[C@H](OCCC1CCCCC1)C(=O)[O-] 7a_217856618621_100011273959 [0,1,0,1,0,0|1,0,1]=4 18155 B14R1.6449 NC(=O)C(F)NCCC1CCCCC1 2230a_100000738074_100009813875 [0,1,0,1,0,0|2,0,0]=4 18156 B14R1.6449 NC(=O)C(F)NCCC1CCCCC1 34a_100000738074_100009813875 [0,1,0,1,0,0|2,0,0]=4 18157 B14R1.6449 NC(=O)C(F)OCCC1CCCCC1 34a_100011217863_100009813875 [0,1,0,1,0,0|2,0,0]=4 18158 B14R1.6449 NC(=O)C(F)OCCC1CCCCC1 7a_100011217863_100009813875 [0,1,0,1,0,0|2,0,0]=4 18159 B14R1.6449 NC(=O)C(F)SCCC1CCCCC1 62a_100009813875_100012355289 [0,1,0,1,0,0|2,0,0]=4 18160 B14R1.6449 NC(=O)C(F)SCCC1CCCCC1 62a_100012355289_100009813875 [0,1,0,1,0,0|2,0,0]=4 18161 B14R1.6449 NC(=O)[C@@H](N)COCC1CCCCC1 34a_100000729942_100000211423 [0,1,0,1,0,0|2,0,0]=4 18162 B14R1.6449 O=C(O)C(F)CNCC1CCCCC1 269956a_100000084737_100000211423 [0,1,0,1,0,0|1,0,0]=3 18163 B14R1.6449 O=C(O)C(F)CNCC1CCCCO1 269956a_100000084737_100000211543 [0,1,0,1,0,0|2,0,0]=4 18164 B14R1.6449 O=C(O)C(F)CNCC1CCCOC1 269956a_100000084737_100000741521 [0,1,0,1,0,0|2,0,0]=4 18165 B14R1.6449 O=C(O)C(F)CNCC1CCOCC1 269956a_100000084737_100000754603 [0,1,0,1,0,0|2,0,0]=4 18166 B14R1.6449 O=C([O-])C(F)NCCC1CCCCC1 34a_100000738074_100020610796 [0,1,0,1,0,0|1,0,1]=4 18167 B14R1.6449 O=C([O-])C(F)OCCC1CCCCC1 34a_100011217863_100020610796 [0,1,0,1,0,0|1,0,1]=4 18168 B14R1.6449 O=C([O-])C(F)SCCC1CCCCC1 62a_100012355289_100020610796 [0,1,0,1,0,0|1,0,1]=4 18169 B14R1.6449 O=C([O-])C(F)SCCC1CCCCC1 62a_100020610796_100012355289 [0,1,0,1,0,0|1,0,1]=4 18170 B14R1.10025 CC(=O)C(C)N1CCCCCCCC1 2230a_100000039187_100009814033 [0,1,0,1,0,0|2,0,0]=4 18171 B14R1.10025 CC(=O)C(C)N1CCCCCCCC1 269982a_100000039187_100009814033 [0,1,0,1,0,0|2,0,0]=4 18172 B14R1.10025 CC(C(=O)N)N1CCCCCCCC1 2230a_100000039187_100000702099 [0,1,0,1,0,0|2,0,0]=4 18173 B14R1.10025 CC(C(=O)N)N1CCCCCCCC1 269982a_100000039187_100000184083 [0,1,0,1,0,0|2,0,0]=4 18174 B14R1.10025 CC(C(=O)N)N1CCCCCCCC1 34a_100000039187_100000702099 [0,1,0,1,0,0|2,0,0]=4 18175 B14R1.10025 NC(=O)C(F)N1CCCCCCCC1 2230a_100000039187_100009813875 [0,1,0,1,0,0|2,0,0]=4 18176 B14R1.10025 NC(=O)C(F)N1CCCCCCCC1 269982a_100000039187_100009813875 [0,1,0,1,0,0|2,0,0]=4 18177 B14R1.10025 NC(=O)C(F)N1CCCCCCCC1 34a_100000039187_100009813875 [0,1,0,1,0,0|2,0,0]=4 18178 B14R1.10025 O=C([O-])C(F)N1CCCCCCCC1 34a_100000039187_100020610796 [0,1,0,1,0,0|1,0,1]=4 18179 B14R1.10030 CC(=O)C(C)COC1CCCCCC1 34a_100000032740_100011217769 [0,1,0,1,0,0|2,0,0]=4 18180 B14R1.10030 CC(=O)C(C)NCC1CCCCCC1 2230a_100015204231_100009814033 [0,1,0,1,0,0|2,0,0]=4 18181 B14R1.10030 CC(=O)C(C)OCC1CCCCCC1 34a_100000212229_200000696569 [0,1,0,1,0,0|2,0,0]=4 18182 B14R1.10030 CC(=O)C(C)OCC1CCCCCC1 7a_100000699130_100000179758 [0,1,0,1,0,0|2,0,0]=4 18183 B14R1.10030 CC(=O)C(C)SCC1CCCCCC1 62a_100009814033_200000696569 [0,1,0,1,0,0|2,0,0]=4 18184 B14R1.10030 CC(=O)C(C)SCC1CCCCCC1 62a_200000696569_100009814033 [0,1,0,1,0,0|2,0,0]=4 18185 B14R1.10030 CC(CNC1CCCCCC1)C(=O)O 269956a_100000749485_100011217769 [0,1,0,1,0,0|1,0,0]=3 18186 B14R1.10030 CC(NCC1CCCCCC1)C(=O)N 2230a_100015204231_100000702099 [0,1,0,1,0,0|2,0,0]=4 18187 B14R1.10030 CC(NCC1CCCCCC1)C(=O)N 34a_100015204231_100000702099 [0,1,0,1,0,0|2,0,0]=4 18188 B14R1.10030 CC(OCC1CCCCCC1)C(=O)N 34a_100000699130_100000702099 [0,1,0,1,0,0|2,0,0]=4 18189 B14R1.10030 CC(OCC1CCCCCC1)C(=O)N 7a_100000699130_100000702099 [0,1,0,1,0,0|2,0,0]=4 18190 B14R1.10030 CC(SCC1CCCCCC1)C(=O)N 62a_100000702099_200000696569 [0,1,0,1,0,0|2,0,0]=4 18191 B14R1.10030 CC(SCC1CCCCCC1)C(=O)N 62a_200000696569_100000702099 [0,1,0,1,0,0|2,0,0]=4 18192 B14R1.10030 C[C@@H](NCC1CCCCCC1)C(=O)N 2230a_100000119354_200000696569 [0,1,0,1,0,0|2,0,0]=4 18193 B14R1.10030 C[C@@H](NCC1CCCCCC1)C(=O)N 34a_100000119354_200000696569 [0,1,0,1,0,0|2,0,0]=4 18194 B14R1.10030 C[C@@H](OCC1CCCCCC1)C(=O)N 34a_100000731257_200000696569 [0,1,0,1,0,0|2,0,0]=4 18195 B14R1.10030 C[C@@H](OCC1CCCCCC1)C(=O)N 7a_100000731257_200000696569 [0,1,0,1,0,0|2,0,0]=4 18196 B14R1.10030 C[C@H](NCC1CCCCCC1)C(=O)O 269956a_100000743915_200000696569 [0,1,0,1,0,0|1,0,0]=3 18197 B14R1.10030 C[C@H](OCC1CCCCCC1)C(=O)[O-] 7a_217856618621_200000696569 [0,1,0,1,0,0|1,0,1]=4 18198 B14R1.10030 NC(=O)C(F)NCC1CCCCCC1 2230a_100015204231_100009813875 [0,1,0,1,0,0|2,0,0]=4 18199 B14R1.10030 NC(=O)C(F)NCC1CCCCCC1 34a_100015204231_100009813875 [0,1,0,1,0,0|2,0,0]=4 18200 B14R1.10030 NC(=O)C(F)OCC1CCCCCC1 34a_100000699130_100009813875 [0,1,0,1,0,0|2,0,0]=4 18201 B14R1.10030 NC(=O)C(F)OCC1CCCCCC1 7a_100000699130_100009813875 [0,1,0,1,0,0|2,0,0]=4 18202 B14R1.10030 NC(=O)C(F)SCC1CCCCCC1 62a_100009813875_200000696569 [0,1,0,1,0,0|2,0,0]=4 18203 B14R1.10030 NC(=O)C(F)SCC1CCCCCC1 62a_200000696569_100009813875 [0,1,0,1,0,0|2,0,0]=4 18204 B14R1.10030 NC(=O)[C@@H](N)COC1CCCCCC1 34a_100000729942_100011217769 [0,1,0,1,0,0|2,0,0]=4 18205 B14R1.10030 O=C(O)C(F)CNC1CCCCCC1 269956a_100000084737_100011217769 [0,1,0,1,0,0|1,0,0]=3 18206 B14R1.10030 O=C([O-])C(F)NCC1CCCCCC1 34a_100015204231_100020610796 [0,1,0,1,0,0|1,0,1]=4 18207 B14R1.10030 O=C([O-])C(F)OCC1CCCCCC1 34a_100000699130_100020610796 [0,1,0,1,0,0|1,0,1]=4 18208 B14R1.10030 O=C([O-])C(F)SCC1CCCCCC1 62a_100020610796_200000696569 [0,1,0,1,0,0|1,0,1]=4 18209 B14R1.10030 O=C([O-])C(F)SCC1CCCCCC1 62a_200000696569_100020610796 [0,1,0,1,0,0|1,0,1]=4 18210 B14R1.10072 CC(=O)C(C)NC1CCCCCCC1 2230a_100000211152_100009814033 [0,1,0,1,0,0|2,0,0]=4 18211 B14R1.10072 CC(=O)C(C)OC1CCCCCCC1 7a_100000210054_100000179758 [0,1,0,1,0,0|2,0,0]=4 18212 B14R1.10072 CC(NC1CCCCCCC1)C(=O)N 2230a_100000211152_100000702099 [0,1,0,1,0,0|2,0,0]=4 18213 B14R1.10072 CC(NC1CCCCCCC1)C(=O)N 34a_100000211152_100000702099 [0,1,0,1,0,0|2,0,0]=4 18214 B14R1.10072 CC(OC1CCCCCCC1)C(=O)N 34a_100000210054_100000702099 [0,1,0,1,0,0|2,0,0]=4 18215 B14R1.10072 CC(OC1CCCCCCC1)C(=O)N 7a_100000210054_100000702099 [0,1,0,1,0,0|2,0,0]=4 18216 B14R1.10072 C[C@@H](NC1CCCCCCC1)C(=O)N 270004a_100000119354_100000210524 [0,1,0,1,0,0|2,0,0]=4 18217 B14R1.10072 NC(=O)C(F)NC1CCCCCCC1 2230a_100000211152_100009813875 [0,1,0,1,0,0|2,0,0]=4 18218 B14R1.10072 NC(=O)C(F)NC1CCCCCCC1 34a_100000211152_100009813875 [0,1,0,1,0,0|2,0,0]=4 18219 B14R1.10072 NC(=O)C(F)OC1CCCCCCC1 34a_100000210054_100009813875 [0,1,0,1,0,0|2,0,0]=4 18220 B14R1.10072 NC(=O)C(F)OC1CCCCCCC1 7a_100000210054_100009813875 [0,1,0,1,0,0|2,0,0]=4 18221 B14R1.10072 O=C([O-])C(F)NC1CCCCCCC1 34a_100000211152_100020610796 [0,1,0,1,0,0|1,0,1]=4 18222 B14R1.10072 O=C([O-])C(F)OC1CCCCCCC1 34a_100000210054_100020610796 [0,1,0,1,0,0|1,0,1]=4 18223 B14R1.67 CCCCN1CCN(CC1C(=O)O)C 269956a_100020626280_100000210211 [0,1,0,1,0,0|2,0,0]=4 18224 B14R1.67 CCCCN1CC[C@H](C[C@@H]1C(=O)O)C 269956a_100009817619_100000210211 [0,1,0,1,0,0|1,0,0]=3 18225 B14R1.67 CCOCN1CC[C@H](C[C@@H]1C(=O)O)C 269956a_100009817619_100000739092 [0,1,0,1,0,0|2,0,0]=4 18226 B14R1.67 COCCN1CC[C@H](C[C@@H]1C(=O)O)C 269956a_100009817619_100000233755 [0,1,0,1,0,0|2,0,0]=4 18227 B14R1.67 CSCCN1CC[C@H](C[C@@H]1C(=O)O)C 269956a_100009817619_100000212216 [0,1,0,1,0,0|2,0,0]=4 18228 B14R1.67 C[C@@H]1CCN([C@H](C1)C(=O)O)CCCF 269956a_100009817619_100011934791 [0,1,0,1,0,0|2,0,0]=4 18229 B14R1.67 C[C@@H]1CCN([C@H](C1)C(=O)O)CCCO 269956a_100009817619_100011215043 [0,1,0,1,0,0|2,0,0]=4 18230 B14R1.110 CCC1CCCC1N(C)CCC(=O)N 270004a_100000730477_100000749056 [0,1,0,1,0,0|2,0,0]=4 18231 B14R1.160 CC1CCCCC1N(C)CCC(=O)N 270004a_100000730477_100000210921 [0,1,0,1,0,0|2,0,0]=4 18232 B14R1.423 CC(=O)CCN(C)CC1CCCCC1 269982a_100000736448_100000053229 [0,1,0,1,0,0|2,0,0]=4 18233 B14R1.423 CC(CN1CCCCC1)NCC(=O)O 269956a_100016091260_100009831500 [0,1,0,1,0,0|2,0,0]=4 18234 B14R1.423 CN(CCC(=O)N)CC1CCCCC1 2230a_100000730477_100000211423 [0,1,0,1,0,0|2,0,0]=4 18235 B14R1.423 CN(CCC(=O)N)CC1CCCCC1 2230a_100000736448_100000744528 [0,1,0,1,0,0|2,0,0]=4 18236 B14R1.423 CN(CCC(=O)N)CC1CCCCC1 269982a_100000736448_100000744528 [0,1,0,1,0,0|2,0,0]=4 18237 B14R1.423 CN(CCC(=O)N)CC1CCCCC1 34a_100000736448_100000731001 [0,1,0,1,0,0|2,0,0]=4 18238 B14R1.423 NC(=O)CCC(=O)CC1CCCCC1 1458a_100011215257_100000211423 [0,1,0,1,0,0|1,0,1]=4 18239 B14R1.895 CCCCCN1C[C@@H](C[C@H]1C(=O)N)O 2230a_100020587027_100000210326 [0,1,0,1,0,0|2,0,0]=4 18240 B14R1.895 CCCCCN1C[C@@H](C[C@H]1C(=O)N)O 269982a_100020587027_100000210215 [0,1,0,1,0,0|2,0,0]=4 18241 B14R1.895 CCCCCN1C[C@H](C[C@H]1C(=O)N)F 2230a_100020614896_100000210326 [0,1,0,1,0,0|2,0,0]=4 18242 B14R1.895 CCCCCN1C[C@H](C[C@H]1C(=O)N)F 269982a_100020614896_100000210215 [0,1,0,1,0,0|2,0,0]=4 18243 B14R1.895 CCCCCN1C[C@H](C[C@H]1C(=O)N)F 34a_100020614896_100000718602 [0,1,0,1,0,0|2,0,0]=4 18244 B14R1.895 CCCCCN1C[C@H](C[C@H]1C(=O)O)F 269956a_100016993324_100000210326 [0,1,0,1,0,0|1,0,0]=3 18245 B14R1.895 CCCCCN1C[C@H](C[C@H]1C(=O)O)O 269956a_100000750407_100000210326 [0,1,0,1,0,0|1,0,0]=3 18246 B14R1.895 CCOCCN1C[C@H](C[C@H]1C(=O)O)F 269956a_100016993324_100000210147 [0,1,0,1,0,0|2,0,0]=4 18247 B14R1.895 CCOCCN1C[C@H](C[C@H]1C(=O)O)O 269956a_100000750407_100000210147 [0,1,0,1,0,0|2,0,0]=4 18248 B14R1.895 CCSCCN1C[C@H](C[C@H]1C(=O)O)F 269956a_100016993324_100000757381 [0,1,0,1,0,0|2,0,0]=4 18249 B14R1.895 CCSCCN1C[C@H](C[C@H]1C(=O)O)O 269956a_100000750407_100000757381 [0,1,0,1,0,0|2,0,0]=4 18250 B14R1.895 COCCCN1C[C@H](C[C@H]1C(=O)O)F 269956a_100016993324_100000740836 [0,1,0,1,0,0|2,0,0]=4 18251 B14R1.895 COCCCN1C[C@H](C[C@H]1C(=O)O)O 269956a_100000750407_100000740836 [0,1,0,1,0,0|2,0,0]=4 18252 B14R1.895 O=C(O)[C@@H]1C[C@@H](CN1CCCCF)F 269956a_100016993324_100000729493 [0,1,0,1,0,0|2,0,0]=4 18253 B14R1.895 O=C(O)[C@@H]1C[C@@H](CN1CCCCF)O 269956a_100000750407_100000729493 [0,1,0,1,0,0|2,0,0]=4 18254 B14R1.895 O=C(O)[C@@H]1C[C@@H](CN1CCCCO)F 269956a_100016993324_100000210776 [0,1,0,1,0,0|2,0,0]=4 18255 B14R1.895 O=C(O)[C@@H]1C[C@@H](CN1CCCCO)O 269956a_100000750407_100000210776 [0,1,0,1,0,0|2,0,0]=4 18256 B14R1.4520 CCCCCCCC(=O)[C@@H]1CC(=O)N1 1458a_100016090685_100000210614 [0,1,0,1,0,0|1,0,1]=4 18257 B14R1.4520 CCCCCCCN(C)C1CC(=O)C1 269982a_100000228206_100009894365 [0,1,0,1,0,0|2,0,0]=4 18258 B14R1.4526 CN(CCC(=O)N)CCC1CCCC1 2230a_100000730477_100000760354 [0,1,0,1,0,0|2,0,0]=4 18259 B14R1.4526 NC(=O)CCC(=O)CCC1CCCC1 1458a_100011215257_100000760354 [0,1,0,1,0,0|1,0,1]=4 18260 B14R1.10371 CC(=O)CCN(C)C1CCCCCC1 269982a_100015185097_100000053229 [0,1,0,1,0,0|2,0,0]=4 18261 B14R1.10371 CN(CCC(=O)N)C1CCCCCC1 2230a_100015185097_100000744528 [0,1,0,1,0,0|2,0,0]=4 18262 B14R1.10371 CN(CCC(=O)N)C1CCCCCC1 269982a_100015185097_100000744528 [0,1,0,1,0,0|2,0,0]=4 18263 B14R1.10371 CN(CCC(=O)N)C1CCCCCC1 270004a_100000730477_100000210131 [0,1,0,1,0,0|2,0,0]=4 18264 B14R1.10371 CN(CCC(=O)N)C1CCCCCC1 34a_100015185097_100000731001 [0,1,0,1,0,0|2,0,0]=4 18265 B14R1.10371 NC(=O)CCC(=O)C1CCCCCC1 1458a_100011215257_100011217769 [0,1,0,1,0,0|1,0,1]=4 18266 B14R1.814 CC(C)CN1CCCCC1CC(=O)N 2230a_100015184752_100000210760 [0,1,0,1,0,0|2,0,0]=4 18267 B14R1.814 CC(C)CN1CCCCC1CC(=O)N 269982a_100015184752_100000210624 [0,1,0,1,0,0|2,0,0]=4 18268 B14R1.814 CC(C)CN1CCCCC1CC(=O)N 270004a_100015184752_100000210432 [0,1,0,1,0,0|2,0,0]=4 18269 B14R1.814 CC(C)CN1CCCCC1CC(=O)N 34a_100015184752_100000210624 [0,1,0,1,0,0|2,0,0]=4 18270 B14R1.814 CC(O)CN1CCCCC1CC(=O)N 2230a_100015184752_100011218427 [0,1,0,1,0,0|2,0,0]=4 18271 B14R1.814 CC(O)CN1CCCCC1CC(=O)N 269982a_100015184752_100011218427 [0,1,0,1,0,0|2,0,0]=4 18272 B14R1.814 CC(O)CN1CCCCC1CC(=O)N 34a_100015184752_100011218427 [0,1,0,1,0,0|2,0,0]=4 18273 B14R1.814 C[C@@H](O)CN1CCCCC1CC(=O)N 2230a_100015184752_100009817552 [0,1,0,1,0,0|2,0,0]=4 18274 B14R1.814 C[C@@H](O)CN1CCCCC1CC(=O)N 269982a_100015184752_100009817552 [0,1,0,1,0,0|2,0,0]=4 18275 B14R1.814 C[C@@H](O)CN1CCCCC1CC(=O)N 34a_100015184752_100009817552 [0,1,0,1,0,0|2,0,0]=4 18276 B14R1.1466 CC(=O)CCCCOCC1CC1(C)C 34a_100000728257_100009817362 [0,1,0,1,0,0|2,0,0]=4 18277 B14R1.1466 CC(=O)CCCCOCC1CC1(C)C 7a_100000728257_100000735457 [0,1,0,1,0,0|2,0,0]=4 18278 B14R1.4522 C=C(C)CCN1CCCC[C@@H]1C(=O)O 269956a_100000763471_100000730704 [0,1,0,1,0,0|1,0,1]=4 18279 B14R1.4522 C=C(C)CN[C@@H]1CCCC[C@H]1C(=O)O 269956a_100009816435_100000748629 [0,1,0,1,0,0|1,0,1]=4 18280 B14R1.4522 CC(=O)CCN1CCCCC1C(C)C 269982a_100000757267_100000053229 [0,1,0,1,0,0|2,0,0]=4 18281 B14R1.4522 CC(=O)CCN1CCCC[C@@H]1C(=O)O 269956a_100000763471_100000053229 [0,1,0,1,0,0|1,0,1]=4 18282 B14R1.4522 CC(C)C1CCCCC1OCC(=O)N 34a_100011709184_100000187820 [0,1,0,1,0,0|2,0,0]=4 18283 B14R1.4522 CC(C)C1CCCCC1OCC(=O)N 7a_100011709184_100000187820 [0,1,0,1,0,0|2,0,0]=4 18284 B14R1.4522 CC(C)C1CCCCC1OCC(=O)[O-] 34a_100011709184_100020667443 [0,1,0,1,0,0|1,0,1]=4 18285 B14R1.4522 CC(C)C1CCCCN1CCC(=O)N 2230a_100000757267_100000744528 [0,1,0,1,0,0|2,0,0]=4 18286 B14R1.4522 CC(C)C1CCCCN1CCC(=O)N 269982a_100000757267_100000744528 [0,1,0,1,0,0|2,0,0]=4 18287 B14R1.4522 CC(C)C1CCCCN1CCC(=O)N 34a_100000757267_100000731001 [0,1,0,1,0,0|2,0,0]=4 18288 B14R1.4522 CC(C)CCN1CCCCC1C(=O)N 2230a_100000181395_100000210312 [0,1,0,1,0,0|2,0,0]=4 18289 B14R1.4522 CC(C)CCN1CCCCC1C(=O)N 269982a_100000181395_100000210312 [0,1,0,1,0,0|2,0,0]=4 18290 B14R1.4522 CC(C)CCN1CCCCC1C(=O)N 34a_100000181395_100000210312 [0,1,0,1,0,0|2,0,0]=4 18291 B14R1.4522 CC(C)CCN1CCCC[C@@H]1C(=O)O 269956a_100000763471_100000210312 [0,1,0,1,0,0|1,0,0]=3 18292 B14R1.4522 CC(C)CCN1CCOC[C@@H]1C(=O)O 269956a_100016993156_100000210312 [0,1,0,1,0,0|2,0,0]=4 18293 B14R1.4522 CC(C)CCN1CCSCC1C(=O)O 269956a_100011346106_100000210312 [0,1,0,1,0,0|2,0,0]=4 18294 B14R1.4522 CC(C)CCN1CSCCC1C(=O)O 269956a_100015185162_100000210312 [0,1,0,1,0,0|2,0,0]=4 18295 B14R1.4522 CC(C)CN[C@@H]1CCCC[C@H]1C(=O)O 269956a_100009816435_100000210760 [0,1,0,1,0,0|1,0,0]=3 18296 B14R1.4522 CC(C)N1CCCCC1CCC(=O)O 269956a_100000694054_100000210206 [0,1,0,1,0,0|1,0,0]=3 18297 B14R1.4522 CC(C)OCN1CCCC[C@@H]1C(=O)O 269956a_100000763471_100000709892 [0,1,0,1,0,0|2,0,0]=4 18298 B14R1.4522 CC(O)CCN1CCCCC1C(=O)N 2230a_100000181395_100012276601 [0,1,0,1,0,0|2,0,0]=4 18299 B14R1.4522 CC(O)CCN1CCCCC1C(=O)N 269982a_100000181395_100012276601 [0,1,0,1,0,0|2,0,0]=4 18300 B14R1.4522 CC(O)CCN1CCCCC1C(=O)N 34a_100000181395_100012276601 [0,1,0,1,0,0|2,0,0]=4 18301 B14R1.4522 CC(O)CCN1CCCC[C@@H]1C(=O)O 269956a_100000763471_100012276601 [0,1,0,1,0,0|1,0,0]=3 18302 B14R1.4522 CC(O)CCN1CCOC[C@@H]1C(=O)O 269956a_100016993156_100012276601 [0,1,0,1,0,0|2,0,0]=4 18303 B14R1.4522 CC(O)CCN1CCSCC1C(=O)O 269956a_100011346106_100012276601 [0,1,0,1,0,0|2,0,0]=4 18304 B14R1.4522 CC(O)CCN1CSCCC1C(=O)O 269956a_100015185162_100012276601 [0,1,0,1,0,0|2,0,0]=4 18305 B14R1.4522 CC(O)CN[C@@H]1CCCC[C@H]1C(=O)O 269956a_100009816435_100011218427 [0,1,0,1,0,0|1,0,0]=3 18306 B14R1.4522 CN(C)CCN1CCCC[C@@H]1C(=O)O 269956a_100000763471_100000755713 [0,1,0,1,0,0|2,0,0]=4 18307 B14R1.4522 C[C@@H](O)CN[C@@H]1CCCC[C@H]1C(=O)O 269956a_100009816435_100009817552 [0,1,0,1,0,0|1,0,0]=3 18308 B14R1.4522 O=C(O)[C@@H]1CCCC[C@H]1NCC(F)F 269956a_100009816435_100011934356 [0,1,0,1,0,0|2,0,0]=4 18309 B14R1.4524 CC(=O)CCN1CCCC1CC(C)C 269982a_100000748429_100000053229 [0,1,0,1,0,0|2,0,0]=4 18310 B14R1.4524 CC(C)CC1CCCN1CCC(=O)N 2230a_100000748429_100000744528 [0,1,0,1,0,0|2,0,0]=4 18311 B14R1.4524 CC(C)CC1CCCN1CCC(=O)N 269982a_100000748429_100000744528 [0,1,0,1,0,0|2,0,0]=4 18312 B14R1.4524 CC(C)CC1CCCN1CCC(=O)N 34a_100000748429_100000731001 [0,1,0,1,0,0|2,0,0]=4 18313 B14R1.6315 CC1(CCCCC1NCCC(=O)N)C 269862a_100000740010_100000031690 [0,1,0,1,0,0|2,0,0]=4 18314 B14R1.6316 CC(=O)CCCN1CCCC1C(C)C 269982a_100000762757_100011215641 [0,1,0,1,0,0|2,0,0]=4 18315 B14R1.6316 CC(=O)CCCN1CCCC1C(C)C 34a_100000762757_100000685027 [0,1,0,1,0,0|2,0,0]=4 18316 B14R1.6316 CC(=O)CCCN1CCC[C@H]1C(=O)O 269956a_100000743916_100011215641 [0,1,0,1,0,0|1,0,1]=4 18317 B14R1.6316 CC(C)C1CCCN1CCCC(=O)N 269982a_100000762757_100102525003 [0,1,0,1,0,0|2,0,0]=4 18318 B14R1.6316 CC(C)C1CCCN1CCCC(=O)N 34a_100000762757_100102525003 [0,1,0,1,0,0|2,0,0]=4 18319 B14R1.6316 CC(C)CCCN1CCC[C@H]1C(=O)N 2230a_100000003125_100011214892 [0,1,0,1,0,0|2,0,0]=4 18320 B14R1.6316 CC(C)CCCN1CCC[C@H]1C(=O)O 269956a_100000743916_100011214892 [0,1,0,1,0,0|1,0,0]=3 18321 B14R1.6316 CC(C)CCCN1CCSC1C(=O)O 269956a_100000035718_100011214892 [0,1,0,1,0,0|2,0,0]=4 18322 B14R1.6316 CC(C)CCCN1CSC[C@H]1C(=O)O 269956a_100000743924_100011214892 [0,1,0,1,0,0|2,0,0]=4 18323 B14R1.6316 CC(C)OCCN1CCC[C@H]1C(=O)O 269956a_100000743916_100000211751 [0,1,0,1,0,0|2,0,0]=4 18324 B14R1.6316 CC(C)SCCN1CCC[C@H]1C(=O)O 269956a_100000743916_100000730970 [0,1,0,1,0,0|2,0,0]=4 18325 B14R1.6316 CC(O)CCCN1CCC[C@H]1C(=O)N 2230a_100000003125_200000718107 [0,1,0,1,0,0|2,0,0]=4 18326 B14R1.6316 CC(O)CCCN1CCC[C@H]1C(=O)O 269956a_100000743916_200000718107 [0,1,0,1,0,0|1,0,0]=3 18327 B14R1.6316 CC(O)CCCN1CCSC1C(=O)O 269956a_100000035718_200000718107 [0,1,0,1,0,0|2,0,0]=4 18328 B14R1.6316 CC(O)CCCN1CSC[C@H]1C(=O)O 269956a_100000743924_200000718107 [0,1,0,1,0,0|2,0,0]=4 18329 B14R1.6316 CN(C)CCCN1CCC[C@H]1C(=O)O 269956a_100000743916_100000757444 [0,1,0,1,0,0|2,0,0]=4 18330 B14R1.6325 C=C(C)CN1CCCCCC1C(=O)O 269956a_100000758484_100000748629 [0,1,0,1,0,0|1,0,1]=4 18331 B14R1.6325 CC(=O)N1CCCCCC1CC(C)C 11a_100000759364_100015343762 [0,1,0,1,0,0|2,0,0]=4 18332 B14R1.6325 CC(=O)N1CCCCCC1CC(C)C 1626a_100000759364_100015343762 [0,1,0,1,0,0|2,0,0]=4 18333 B14R1.6325 CC(=O)N1CCCCCC1CC(C)C 240690a_100000759364_100015343762 [0,1,0,1,0,0|2,0,0]=4 18334 B14R1.6325 CC(=O)N1CCCCCC1CC(C)C 527a_100000759364_100103153847 [0,1,0,1,0,0|2,0,0]=4 18335 B14R1.6325 CC(C)C1CCCCCN1CC(=O)N 2230a_100000697956_100000747473 [0,1,0,1,0,0|2,0,0]=4 18336 B14R1.6325 CC(C)C1CCCCCN1CC(=O)N 269982a_100000697956_100000187820 [0,1,0,1,0,0|2,0,0]=4 18337 B14R1.6325 CC(C)C1CCCCCN1CC(=O)N 34a_100000697956_100000187820 [0,1,0,1,0,0|2,0,0]=4 18338 B14R1.6325 CC(C)C1CCCCCN1CC(=O)[O-] 269982a_100000697956_100020667443 [0,1,0,1,0,0|1,0,1]=4 18339 B14R1.6325 CC(C)C1CCCCCN1CC(=O)[O-] 34a_100000697956_100020667443 [0,1,0,1,0,0|1,0,1]=4 18340 B14R1.6325 CC(C)CN1CCCCCC1C(=O)O 269956a_100000758484_100000210760 [0,1,0,1,0,0|1,0,0]=3 18341 B14R1.6325 CC(O)CN1CCCCCC1C(=O)O 269956a_100000758484_100011218427 [0,1,0,1,0,0|1,0,0]=3 18342 B14R1.6325 C[C@@H](O)CN1CCCCCC1C(=O)O 269956a_100000758484_100009817552 [0,1,0,1,0,0|1,0,0]=3 18343 B14R1.6325 O=C(O)C1CCCCCN1CC(F)F 269956a_100000758484_100011934356 [0,1,0,1,0,0|2,0,0]=4 18344 B14R1.6344 CC(=O)CCCCN1CCC1C(=O)O 269956a_100000021838_100000735457 [0,1,0,1,0,0|1,0,1]=4 18345 B14R1.6344 CC(C)CCCCN1CCC1C(=O)O 269956a_100000021838_100011216152 [0,1,0,1,0,0|1,0,0]=3 18346 B14R1.6344 CN(C)CCCCN1CCC1C(=O)O 269956a_100000021838_100000690147 [0,1,0,1,0,0|2,0,0]=4 18347 B14R1.6359 CC(=O)CCCCN1CCCC1(C)C 269982a_100000761399_100000735457 [0,1,0,1,0,0|2,0,0]=4 18348 B14R1.6359 CC(=O)CCCCN1CCCC1(C)C 34a_100000761399_100009817362 [0,1,0,1,0,0|2,0,0]=4 18349 B14R1.6359 CC(=O)CCCN[C@@H]1CCC[C@@]1(C)O 34a_100015977457_100000685027 [0,1,0,1,0,0|2,0,0]=4 18350 B14R1.6359 CC(=O)CCCOC1CCCC1(C)C 34a_100000726220_100000685027 [0,1,0,1,0,0|2,0,0]=4 18351 B14R1.6359 CC(=O)CCCOC1CCCC1(C)C 7a_100000726220_100011215641 [0,1,0,1,0,0|2,0,0]=4 18352 B14R1.6359 CC1(CCCC1NCCCC(=O)N)C 269862a_100000739312_100000065263 [0,1,0,1,0,0|2,0,0]=4 18353 B14R1.6359 CC1(CCCC1OCCCC(=O)N)C 34a_100000726220_100102525003 [0,1,0,1,0,0|2,0,0]=4 18354 B14R1.6359 CC1(CCCC1OCCCC(=O)N)C 7a_100000726220_100102525003 [0,1,0,1,0,0|2,0,0]=4 18355 B14R1.6359 C[C@]1(CCC[C@H]1NCCCC(=O)N)O 34a_100015977457_100102525003 [0,1,0,1,0,0|2,0,0]=4 18356 B14R1.20 CCCCCC(=O)[C@H]1CCCC(=O)N1 1458a_100000705292_100000210326 [0,1,0,1,0,0|1,0,1]=4 18357 B14R1.157 CCCCCC(=O)CC1CCC(=O)N1 1458a_100000026770_100000210326 [0,1,0,1,0,0|1,0,1]=4 18358 B14R1.157 CCCCCC(=O)CC1CNC(=O)O1 1458a_100000212188_100000181169 [0,1,0,1,0,0|1,0,1]=4 18359 B14R1.157 CCCCCC(=O)CC1COC(=O)O1 1458a_100000212188_100000073702 [0,1,0,1,0,0|1,0,1]=4 18360 B14R1.157 CCCCCC(=O)C[C@@H]1CCC(=O)N1 1458a_100000212188_100015189358 [0,1,0,1,0,0|1,0,1]=4 18361 B14R1.157 CCCCCC(C)OC1CCC(=O)C1 34a_100012614533_200011218191 [0,1,0,1,0,0|2,0,0]=4 18362 B14R1.157 CCCCCC(C)OC1COC(=O)O1 34a_100011215632_100000032252 [0,1,0,1,0,0|2,0,0]=4 18363 B14R1.157 CCCCCC(C)SC1COC(=O)O1 62a_200011218191_100000032252 [0,1,0,1,0,0|2,0,0]=4 18364 B14R1.157 CCCCCN(C)CC1CNC(=O)O1 2230a_100000223495_100000181169 [0,1,0,1,0,0|2,0,0]=4 18365 B14R1.157 CCCCCN(C)CC1CNC(=O)O1 269982a_100000223495_100000181169 [0,1,0,1,0,0|2,0,0]=4 18366 B14R1.157 CCCCCN(C)CC1COC(=O)O1 269982a_100000223495_100000073702 [0,1,0,1,0,0|2,0,0]=4 18367 B14R1.157 CCCCCN(C)C[C@@H]1CCC(=O)N1 2230a_100000223495_100015189358 [0,1,0,1,0,0|2,0,0]=4 18368 B14R1.157 CCCCCN(C)C[C@@H]1CCC(=O)N1 269982a_100000223495_100015189358 [0,1,0,1,0,0|2,0,0]=4 18369 B14R1.418 CC(=O)CCCCC(=O)C1CCCC1 1458a_100000210718_100000735457 [0,1,0,1,0,0|1,0,1]=4 18370 B14R1.418 CC(=O)CCCCN(C)C1CCCC1 269982a_100000207505_100000735457 [0,1,0,1,0,0|2,0,0]=4 18371 B14R1.418 CC(=O)CCCCN(C)C1CCCC1 34a_100000207505_100009817362 [0,1,0,1,0,0|2,0,0]=4 18372 B14R1.418 CC(=O)CCCNC(C)C1CCCC1 34a_100015185923_100000685027 [0,1,0,1,0,0|2,0,0]=4 18373 B14R1.418 CC(=O)CCCOC(C)C1CCCC1 34a_100011216366_100000685027 [0,1,0,1,0,0|2,0,0]=4 18374 B14R1.418 CC(=O)CCCOC(C)C1CCCC1 7a_100011216366_100011215641 [0,1,0,1,0,0|2,0,0]=4 18375 B14R1.418 CC(NCCCC(=O)N)C1CCCC1 269862a_100000739312_100000749594 [0,1,0,1,0,0|2,0,0]=4 18376 B14R1.418 CC(NCCCC(=O)N)C1CCCC1 34a_100015185923_100102525003 [0,1,0,1,0,0|2,0,0]=4 18377 B14R1.418 CC(OCCCC(=O)N)C1CCCC1 34a_100011216366_100102525003 [0,1,0,1,0,0|2,0,0]=4 18378 B14R1.418 CC(OCCCC(=O)N)C1CCCC1 7a_100011216366_100102525003 [0,1,0,1,0,0|2,0,0]=4 18379 B14R1.886 CCCCCN1CCC(C1)CC(=O)O 269956a_100000719201_100000210326 [0,1,0,1,0,0|1,0,0]=3 18380 B14R1.886 CCOCCN1CCC(C1)CC(=O)O 269956a_100000719201_100000210147 [0,1,0,1,0,0|2,0,0]=4 18381 B14R1.886 CCSCCN1CCC(C1)CC(=O)O 269956a_100000719201_100000757381 [0,1,0,1,0,0|2,0,0]=4 18382 B14R1.886 COCCCN1CCC(C1)CC(=O)O 269956a_100000719201_100000740836 [0,1,0,1,0,0|2,0,0]=4 18383 B14R1.886 O=C(O)CC1CCN(C1)CCCCF 269956a_100000719201_100000729493 [0,1,0,1,0,0|2,0,0]=4 18384 B14R1.886 O=C(O)CC1CCN(C1)CCCCO 269956a_100000719201_100000210776 [0,1,0,1,0,0|2,0,0]=4 18385 B14R1.1039 CCCCCC(C)NCC1CC(=O)C1 2230a_100000211957_100009874392 [0,1,0,1,0,0|2,0,0]=4 18386 B14R1.1039 CCCCCC(C)OCC1CC(=O)C1 34a_100000101936_200011218191 [0,1,0,1,0,0|2,0,0]=4 18387 B14R1.1039 CCCCCC(C)OCC1CC(=O)C1 7a_100011215632_100009874392 [0,1,0,1,0,0|2,0,0]=4 18388 B14R1.1039 CCCCCC(C)SCC1CC(=O)C1 62a_100009874392_200011218191 [0,1,0,1,0,0|2,0,0]=4 18389 B14R1.1039 CCCCCC(C)SCC1CC(=O)C1 62a_200011218191_100009874392 [0,1,0,1,0,0|2,0,0]=4 18390 B14R1.2043 CCC1CC1C(=O)CCCCC(=O)C 1458a_200011661523_100000735457 [0,1,0,1,0,0|1,0,1]=4 18391 B14R1.3027 CCCCCC(C)N1CCC1C(=O)O 269956a_100000021838_200011218191 [0,1,0,1,0,0|1,0,0]=3 18392 B14R1.4920 CC(=O)CCCN1C(CCCC1C)C 269982a_100000210447_100011215641 [0,1,0,1,0,0|2,0,0]=4 18393 B14R1.4920 CC(=O)CCCN1C(CCCC1C)C 34a_100000210447_100000685027 [0,1,0,1,0,0|2,0,0]=4 18394 B14R1.4920 CC(=O)CCOC1C(CCCC1C)C 7a_100011218088_100000053229 [0,1,0,1,0,0|2,0,0]=4 18395 B14R1.4920 CC1CCCC(C1NCCC(=O)N)C 269862a_100000740010_100000211995 [0,1,0,1,0,0|2,0,0]=4 18396 B14R1.4920 CC1CCCC(C1OCCC(=O)N)C 34a_100011218088_100000731001 [0,1,0,1,0,0|2,0,0]=4 18397 B14R1.4920 CC1CCCC(C1OCCC(=O)N)C 7a_100011218088_100000744528 [0,1,0,1,0,0|2,0,0]=4 18398 B14R1.4920 CC1CCCC(N1CCCC(=O)N)C 269982a_100000210447_100102525003 [0,1,0,1,0,0|2,0,0]=4 18399 B14R1.4920 CC1CCCC(N1CCCC(=O)N)C 34a_100000210447_100102525003 [0,1,0,1,0,0|2,0,0]=4 18400 B14R1.6366 CC(=O)CCCCC(=O)CC1CCC1 1458a_100000763092_100000735457 [0,1,0,1,0,0|1,0,1]=4 18401 B14R1.6366 CC(=O)CCCCN(C)CC1CCC1 269982a_200000750244_100000735457 [0,1,0,1,0,0|2,0,0]=4 18402 B14R1.6366 CC(=O)CCCCN(C)CC1CCC1 34a_200000750244_100009817362 [0,1,0,1,0,0|2,0,0]=4 18403 B14R1.6367 CC(=O)CCCCC(=O)CCC1CC1 1458a_100000756386_100000735457 [0,1,0,1,0,0|1,0,1]=4 18404 B14R1.7480 CC1CCCC(N1CCCF)C(=O)O 269956a_100000704260_100011934791 [0,1,0,1,0,0|2,0,0]=4 18405 B14R1.7480 CC1CCCC(N1CCCO)C(=O)O 269956a_100000704260_100011215043 [0,1,0,1,0,0|2,0,0]=4 18406 B14R1.7480 CCCCN1C(CCCC1C(=O)O)C 269956a_100000704260_100000210211 [0,1,0,1,0,0|1,0,0]=3 18407 B14R1.7480 CCOCN1C(CCCC1C(=O)O)C 269956a_100000704260_100000739092 [0,1,0,1,0,0|2,0,0]=4 18408 B14R1.7480 COCCN1C(CCCC1C(=O)O)C 269956a_100000704260_100000233755 [0,1,0,1,0,0|2,0,0]=4 18409 B14R1.7480 CSCCN1C(CCCC1C(=O)O)C 269956a_100000704260_100000212216 [0,1,0,1,0,0|2,0,0]=4 18410 B14R1.16462 CC(=O)CCCNC1(CCCCC1)C 34a_100000741114_100000685027 [0,1,0,1,0,0|2,0,0]=4 18411 B14R1.16462 CC(=O)CCCOC1(CCCCC1)C 34a_100011215885_100000685027 [0,1,0,1,0,0|2,0,0]=4 18412 B14R1.16462 CC(=O)CCCOC1(CCCCC1)C 7a_100011215885_100011215641 [0,1,0,1,0,0|2,0,0]=4 18413 B14R1.16462 CC(=O)CCOCC1(CCCCC1)C 7a_100000688186_100000053229 [0,1,0,1,0,0|2,0,0]=4 18414 B14R1.16462 CC(=O)CCOCC1(CCCCC1)F 7a_100000090305_100000053229 [0,1,0,1,0,0|2,0,0]=4 18415 B14R1.16462 CC1(CCCCC1)CNCCC(=O)N 2230a_100000706052_100000744528 [0,1,0,1,0,0|2,0,0]=4 18416 B14R1.16462 CC1(CCCCC1)CNCCC(=O)N 269862a_100000740010_100011935227 [0,1,0,1,0,0|2,0,0]=4 18417 B14R1.16462 CC1(CCCCC1)CNCCC(=O)N 34a_100000706052_100000731001 [0,1,0,1,0,0|2,0,0]=4 18418 B14R1.16462 CC1(CCCCC1)COCCC(=O)N 34a_100000688186_100000731001 [0,1,0,1,0,0|2,0,0]=4 18419 B14R1.16462 CC1(CCCCC1)COCCC(=O)N 7a_100000688186_100000744528 [0,1,0,1,0,0|2,0,0]=4 18420 B14R1.16462 CC1(CCCCC1)NCCCC(=O)N 34a_100000741114_100102525003 [0,1,0,1,0,0|2,0,0]=4 18421 B14R1.16462 CC1(CCCCC1)OCCCC(=O)N 34a_100011215885_100102525003 [0,1,0,1,0,0|2,0,0]=4 18422 B14R1.16462 CC1(CCCCC1)OCCCC(=O)N 7a_100011215885_100102525003 [0,1,0,1,0,0|2,0,0]=4 18423 B14R1.16462 NC(=O)CCNCC1(CCCCC1)O 2230a_100000748649_100000744528 [0,1,0,1,0,0|2,0,0]=4 18424 B14R1.16462 NC(=O)CCNCC1(CCCCC1)O 34a_100000748649_100000731001 [0,1,0,1,0,0|2,0,0]=4 18425 B14R1.16462 NC(=O)CCOCC1(CCCCC1)F 34a_100000090305_100000731001 [0,1,0,1,0,0|2,0,0]=4 18426 B14R1.16462 NC(=O)CCOCC1(CCCCC1)F 7a_100000090305_100000744528 [0,1,0,1,0,0|2,0,0]=4 18427 B14R1.16462 NC(=O)CCOCC1(CCCCC1)N 34a_100000740034_100000731001 [0,1,0,1,0,0|2,0,0]=4 18428 B14R1.16462 NC(=O)CNCCC1(CCCCC1)O 2230a_100102740465_100000747473 [0,1,0,1,0,0|2,0,0]=4 18429 B14R1.16462 NC(=O)CNCCC1(CCCCC1)O 34a_100102740465_100000187820 [0,1,0,1,0,0|2,0,0]=4 18430 B14R1.16462 O=C([O-])CNCCC1(CCCCC1)O 34a_100102740465_100020667443 [0,1,0,1,0,0|1,0,1]=4 18431 B14R1.154 CC(=O)CCOC1CCCC(C1C)C 7a_100011217532_100000053229 [0,1,0,1,0,0|2,0,0]=4 18432 B14R1.154 CC1CCCC(C1C)NCCC(=O)N 2230a_100000211273_100000744528 [0,1,0,1,0,0|2,0,0]=4 18433 B14R1.154 CC1CCCC(C1C)NCCC(=O)N 34a_100000211273_100000731001 [0,1,0,1,0,0|2,0,0]=4 18434 B14R1.154 CC1CCCC(C1C)OCCC(=O)N 34a_100011217532_100000731001 [0,1,0,1,0,0|2,0,0]=4 18435 B14R1.154 CC1CCCC(C1C)OCCC(=O)N 7a_100011217532_100000744528 [0,1,0,1,0,0|2,0,0]=4 18436 B14R1.677 CC(=O)CCCCN1CCC(CC1)C 269982a_100000188429_100000735457 [0,1,0,1,0,0|2,0,0]=4 18437 B14R1.677 CC(=O)CCCCN1CCC(CC1)C 34a_100000188429_100009817362 [0,1,0,1,0,0|2,0,0]=4 18438 B14R1.677 CC(=O)CCCCN1CCC(CC1)F 269982a_100015193889_100000735457 [0,1,0,1,0,0|2,0,0]=4 18439 B14R1.677 CC(=O)CCCCN1CCC(CC1)F 34a_100015193889_100009817362 [0,1,0,1,0,0|2,0,0]=4 18440 B14R1.677 CC(=O)CCCCN1CCC(CC1)O 269982a_100025773856_100000735457 [0,1,0,1,0,0|2,0,0]=4 18441 B14R1.677 CC(=O)CCCN[C@H]1CC[C@@H](CC1)C 34a_100020625639_100000685027 [0,1,0,1,0,0|2,0,0]=4 18442 B14R1.677 CC(=O)CCCOC1CCC(CC1)C 34a_100000210714_100000685027 [0,1,0,1,0,0|2,0,0]=4 18443 B14R1.677 CC(=O)CCCOC1CCC(CC1)C 34a_100000759063_200011216234 [0,1,0,1,0,0|2,0,0]=4 18444 B14R1.677 CC(=O)CCCOC1CCC(CC1)C 7a_100000210714_100011215641 [0,1,0,1,0,0|2,0,0]=4 18445 B14R1.677 CC(=O)CCCO[C@H]1CC[C@H](CC1)N 34a_100020628982_100000685027 [0,1,0,1,0,0|2,0,0]=4 18446 B14R1.677 CC(=O)CCCSC1CCC(CC1)C 62a_100011215641_200011216234 [0,1,0,1,0,0|2,0,0]=4 18447 B14R1.677 CC1CCC(CC1)CNCCC(=O)N 2230a_103436935547_100000744528 [0,1,0,1,0,0|2,0,0]=4 18448 B14R1.677 CC1CCC(CC1)CNCCC(=O)N 34a_103436935547_100000731001 [0,1,0,1,0,0|2,0,0]=4 18449 B14R1.677 CC1CCC(CC1)COCCC(=O)N 34a_100000701341_100000731001 [0,1,0,1,0,0|2,0,0]=4 18450 B14R1.677 CC1CCC(CC1)NCCCC(=O)N 34a_100000739312_200011216234 [0,1,0,1,0,0|2,0,0]=4 18451 B14R1.677 CC1CCC(CC1)OCCCC(=O)N 34a_100000210714_100102525003 [0,1,0,1,0,0|2,0,0]=4 18452 B14R1.677 CC1CCC(CC1)OCCCC(=O)N 7a_100000210714_100102525003 [0,1,0,1,0,0|2,0,0]=4 18453 B14R1.677 CC1CCC(CC1)SCCCC(=O)N 62a_100102525003_200011216234 [0,1,0,1,0,0|2,0,0]=4 18454 B14R1.677 C[C@H]1CC[C@@H](CC1)NCCCC(=O)N 34a_100020625639_100102525003 [0,1,0,1,0,0|2,0,0]=4 18455 B14R1.677 NC(=O)CCCO[C@H]1CC[C@H](CC1)N 34a_100020628982_100102525003 [0,1,0,1,0,0|2,0,0]=4 18456 B14R1.677 NC(=O)CCOC[C@H]1CC[C@@H](CC1)N 34a_100009821084_100000731001 [0,1,0,1,0,0|2,0,0]=4 18457 B14R1.677 NC(=O)CNCCC1CCC(CC1)O 34a_200011935226_100000187820 [0,1,0,1,0,0|2,0,0]=4 18458 B14R1.677 NC(=O)COCCC1CCC(CC1)N 34a_100000070672_100000187820 [0,1,0,1,0,0|2,0,0]=4 18459 B14R1.677 NC1CCC(CC1)CCOCC(=O)[O-] 34a_100000070672_100020667443 [0,1,0,1,0,0|1,0,1]=4 18460 B14R1.677 O=C([O-])CNCCC1CCC(CC1)O 34a_200011935226_100020667443 [0,1,0,1,0,0|1,0,1]=4 18461 B14R1.715 CCC(C)CCNCC1CNC(=O)O1 2230a_100020591266_100000181169 [0,1,0,1,0,0|2,0,0]=4 18462 B14R1.715 CCC(C)CCNC[C@@H]1CCC(=O)N1 2230a_100020591266_100015189358 [0,1,0,1,0,0|2,0,0]=4 18463 B14R1.715 CCC(C)CCOCC1CNC(=O)O1 7a_100011215188_100000181169 [0,1,0,1,0,0|2,0,0]=4 18464 B14R1.715 CCC(C)CCOC[C@@H]1CCC(=O)N1 7a_100011215188_100015189358 [0,1,0,1,0,0|2,0,0]=4 18465 B14R1.722 CCC(C)CCCOCC1CC(=O)C1 7a_100011216074_100009874392 [0,1,0,1,0,0|2,0,0]=4 18466 B14R1.744 CCC(C)N1CCCCC1CC(=O)N 2230a_100015184752_100000758301 [0,1,0,1,0,0|2,0,0]=4 18467 B14R1.744 CCC(C)N1CCCCC1CC(=O)N 269982a_100015184752_100000758301 [0,1,0,1,0,0|2,0,0]=4 18468 B14R1.744 CCC(C)N1CCCCC1CC(=O)N 34a_100015184752_100011215416 [0,1,0,1,0,0|2,0,0]=4 18469 B14R1.1025 CCC(C)COCC1CCCC(=O)N1 34a_200000102386_100000748023 [0,1,0,1,0,0|2,0,0]=4 18470 B14R1.1025 CCC(O)COCC1CCCC(=O)N1 34a_200000102386_100011218378 [0,1,0,1,0,0|2,0,0]=4 18471 B14R1.1025 CC[C@H](C)COCC1CCCC(=O)N1 34a_200000102386_100009816398 [0,1,0,1,0,0|2,0,0]=4 18472 B14R1.1134 CCC(C)N1CCCCCC1C(=O)O 269956a_100000758484_100000758301 [0,1,0,1,0,0|1,0,0]=3 18473 B14R1.1134 COC(C)N1CCCCCC1C(=O)O 269956a_100000758484_100009879195 [0,1,0,1,0,0|2,0,0]=4 18474 B14R1.1134 C[C@H](CO)N1CCCCCC1C(=O)O 269956a_100000758484_100016084084 [0,1,0,1,0,0|2,0,0]=4 18475 B14R1.1518 CCN(C)CCCN1CCC1C(=O)O 269956a_100000021838_100015186262 [0,1,0,1,0,0|2,0,0]=4 18476 B14R1.3302 CCC(=O)CN1CCCC[C@@H]1C(=O)O 269956a_100000763471_100000747405 [0,1,0,1,0,0|1,0,1]=4 18477 B14R1.3302 CCC(C)CN1CCCCC1C(=O)N 2230a_100000181395_100000748023 [0,1,0,1,0,0|2,0,0]=4 18478 B14R1.3302 CCC(C)CN1CCCCC1C(=O)N 269982a_100000181395_100000748023 [0,1,0,1,0,0|2,0,0]=4 18479 B14R1.3302 CCC(C)CN1CCCCC1C(=O)N 270004a_100000181395_100000243153 [0,1,0,1,0,0|2,0,0]=4 18480 B14R1.3302 CCC(C)CN1CCCCC1C(=O)N 34a_100000181395_100000748023 [0,1,0,1,0,0|2,0,0]=4 18481 B14R1.3302 CCC(C)CN1CCCC[C@@H]1C(=O)O 269956a_100000763471_100000748023 [0,1,0,1,0,0|1,0,0]=3 18482 B14R1.3302 CCC(C)CN1CCOC[C@@H]1C(=O)O 269956a_100016993156_100000748023 [0,1,0,1,0,0|2,0,0]=4 18483 B14R1.3302 CCC(C)CN1CCSCC1C(=O)O 269956a_100011346106_100000748023 [0,1,0,1,0,0|2,0,0]=4 18484 B14R1.3302 CCC(C)CN1CSCCC1C(=O)O 269956a_100015185162_100000748023 [0,1,0,1,0,0|2,0,0]=4 18485 B14R1.3302 CCC(C)N[C@@H]1CCCC[C@H]1C(=O)O 269956a_100009816435_100000758301 [0,1,0,1,0,0|1,0,0]=3 18486 B14R1.3302 CCC(O)CN1CCCCC1C(=O)N 2230a_100000181395_100011218378 [0,1,0,1,0,0|2,0,0]=4 18487 B14R1.3302 CCC(O)CN1CCCCC1C(=O)N 269982a_100000181395_100011218378 [0,1,0,1,0,0|2,0,0]=4 18488 B14R1.3302 CCC(O)CN1CCCCC1C(=O)N 34a_100000181395_100011218378 [0,1,0,1,0,0|2,0,0]=4 18489 B14R1.3302 CCC(O)CN1CCCC[C@@H]1C(=O)O 269956a_100000763471_100011218378 [0,1,0,1,0,0|1,0,0]=3 18490 B14R1.3302 CCC(O)CN1CCOC[C@@H]1C(=O)O 269956a_100016993156_100011218378 [0,1,0,1,0,0|2,0,0]=4 18491 B14R1.3302 CCC(O)CN1CCSCC1C(=O)O 269956a_100011346106_100011218378 [0,1,0,1,0,0|2,0,0]=4 18492 B14R1.3302 CCC(O)CN1CSCCC1C(=O)O 269956a_100015185162_100011218378 [0,1,0,1,0,0|2,0,0]=4 18493 B14R1.3302 CC[C@H](C)CN1CCCCC1C(=O)N 2230a_100000181395_100009816398 [0,1,0,1,0,0|2,0,0]=4 18494 B14R1.3302 CC[C@H](C)CN1CCCCC1C(=O)N 269982a_100000181395_100009816398 [0,1,0,1,0,0|2,0,0]=4 18495 B14R1.3302 CC[C@H](C)CN1CCCCC1C(=O)N 34a_100000181395_100009816398 [0,1,0,1,0,0|2,0,0]=4 18496 B14R1.3302 CC[C@H](C)CN1CCCC[C@@H]1C(=O)O 269956a_100000763471_100009816398 [0,1,0,1,0,0|1,0,0]=3 18497 B14R1.3302 CC[C@H](C)CN1CCOC[C@@H]1C(=O)O 269956a_100016993156_100009816398 [0,1,0,1,0,0|2,0,0]=4 18498 B14R1.3302 CC[C@H](C)CN1CCSCC1C(=O)O 269956a_100011346106_100009816398 [0,1,0,1,0,0|2,0,0]=4 18499 B14R1.3302 CC[C@H](C)CN1CSCCC1C(=O)O 269956a_100015185162_100009816398 [0,1,0,1,0,0|2,0,0]=4 18500 B14R1.3302 COC(C)N[C@@H]1CCCC[C@H]1C(=O)O 269956a_100009816435_100009879195 [0,1,0,1,0,0|2,0,0]=4 18501 B14R1.3302 C[C@@H](CO)CN1CCCC[C@@H]1C(=O)O 269956a_100000763471_100000059175 [0,1,0,1,0,0|2,0,0]=4 18502 B14R1.3302 C[C@H](CO)N[C@@H]1CCCC[C@H]1C(=O)O 269956a_100009816435_100016084084 [0,1,0,1,0,0|2,0,0]=4 18503 B14R1.3302 O=C(O)[C@H]1CCCCN1CC(O)CO 269956a_100000763471_100011219619 [0,1,0,1,0,0|2,0,0]=4 18504 B14R1.3302 O=C(O)[C@H]1CCCCN1C[C@@H](O)CF 269956a_100000763471_100015614560 [0,1,0,1,0,0|2,0,0]=4 18505 B14R1.3302 O=C(O)[C@H]1CCCCN1C[C@@H](O)CO 269956a_100000763471_100009815848 [0,1,0,1,0,0|2,0,0]=4 18506 B14R1.5853 C[C@H]1[C@H](CN1CCCCCC(=O)N)O 2230a_206633788156_100009817443 [0,1,0,1,0,0|2,0,0]=4 18507 B14R1.5853 C[C@H]1[C@H](CN1CCCCCC(=O)N)O 269982a_206633788156_100009817443 [0,1,0,1,0,0|2,0,0]=4 18508 B14R1.6330 CC1(CC1)CNCCCCCC(=O)N 2230a_100000766693_100009817443 [0,1,0,1,0,0|2,0,0]=4 18509 B14R1.6330 CC1(CC1)COCCCCCC(=O)N 7a_100000698024_100009817443 [0,1,0,1,0,0|2,0,0]=4 18510 B14R1.6330 NC(=O)CCCCCNCC1(CC1)O 2230a_100011936951_100009817443 [0,1,0,1,0,0|2,0,0]=4 18511 B14R1.6330 NC(=O)CCCCCOCC1(CC1)F 34a_200000703853_100009817443 [0,1,0,1,0,0|2,0,0]=4 18512 B14R1.6330 NC(=O)CCCCCOCC1(CC1)F 7a_200000703853_100009817443 [0,1,0,1,0,0|2,0,0]=4 18513 B14R1.167 CN(CCC1CCCN1C)CC(=O)O 269956a_100000746989_100000005710 [0,1,0,1,0,0|2,0,0]=4 18514 B14R1.167 O=C(O)CC(O)CN[C@@H]1CCC[C@H]1O 269956a_100011218706_200016002552 [0,1,0,1,0,0|2,0,0]=4 18515 B14R1.250 CCCC1CCCC1N(C)CC(=O)N 270004a_100000739694_100000723119 [0,1,0,1,0,0|2,0,0]=4 18516 B14R1.337 CN(CC(=O)O)CC1CCCCN1C 269956a_100000746989_100015185383 [0,1,0,1,0,0|2,0,0]=4 18517 B14R1.818 CN(CCC1CCCCC1)CC(=O)N 2230a_100000739694_100012355289 [0,1,0,1,0,0|2,0,0]=4 18518 B14R1.818 CN(CCC1CCCCC1)CC(=O)N 270004a_100000739694_100011713444 [0,1,0,1,0,0|2,0,0]=4 18519 B14R1.818 CN(CCC1CCCCC1)CC(=O)O 269956a_100000746989_100011273959 [0,1,0,1,0,0|1,0,0]=3 18520 B14R1.818 CN(CCC1CCOCC1)CC(=O)O 269956a_100000746989_100011934994 [0,1,0,1,0,0|2,0,0]=4 18521 B14R1.818 CN(CCN1CCCCC1)CC(=O)O 269956a_100000746989_100000739454 [0,1,0,1,0,0|2,0,0]=4 18522 B14R1.818 CN(COC1CCCCC1)CC(=O)O 269956a_100000746989_100011935260 [0,1,0,1,0,0|2,0,0]=4 18523 B14R1.818 NC(=O)CC(=O)CCC1CCCCC1 1458a_100000211375_100000187820 [0,1,0,1,0,0|1,0,1]=4 18524 B14R1.818 NC(=O)CC(=O)CCC1CCCCC1 1458a_100134613110_100011273959 [0,1,0,1,0,0|1,0,1]=4 18525 B14R1.818 O=C(O)CC(O)CNC1CCCCC1 269956a_100011218706_100000210327 [0,1,0,1,0,0|1,0,0]=3 18526 B14R1.818 O=C(O)CC(O)CNC1CCCOC1 269956a_100011218706_100000693364 [0,1,0,1,0,0|2,0,0]=4 18527 B14R1.818 O=C(O)CC(O)CNC1CCOCC1 269956a_100011218706_100011324220 [0,1,0,1,0,0|2,0,0]=4 18528 B14R1.818 O=C(O)CC(O)CNC1CCSCC1 269956a_100011218706_100000069128 [0,1,0,1,0,0|2,0,0]=4 18529 B14R1.818 O=C([O-])CC(=O)CCC1CCCCC1 1458a_100000211375_100020667443 [0,1,0,1,0,0|0,0,2]=4 18530 B14R1.840 CCC1CCCCC1N(C)CC(=O)N 270004a_100000739694_100000757040 [0,1,0,1,0,0|2,0,0]=4 18531 B14R1.4278 O=C(O)CC(O)CNCCCC1CO1 269956a_100011218706_100000733510 [0,1,0,1,0,0|2,0,0]=4 18532 B14R1.6454 CN(CCCC1CCCC1)CC(=O)N 2230a_100000739694_100011713738 [0,1,0,1,0,0|2,0,0]=4 18533 B14R1.6454 CN(CCCC1CCCC1)CC(=O)N 2230a_100015186261_100000747473 [0,1,0,1,0,0|2,0,0]=4 18534 B14R1.6454 CN(CCCC1CCCC1)CC(=O)N 269982a_100015186261_100000187820 [0,1,0,1,0,0|2,0,0]=4 18535 B14R1.6454 CN(CCCC1CCCC1)CC(=O)N 34a_100015186261_100000187820 [0,1,0,1,0,0|2,0,0]=4 18536 B14R1.6454 CN(CCCC1CCCC1)CC(=O)O 269956a_100000746989_100011713738 [0,1,0,1,0,0|1,0,0]=3 18537 B14R1.6454 CN(CCCC1CCCC1)CC(=O)[O-] 269982a_100015186261_100020667443 [0,1,0,1,0,0|1,0,1]=4 18538 B14R1.6454 CN(CCCC1CCCC1)CC(=O)[O-] 34a_100015186261_100020667443 [0,1,0,1,0,0|1,0,1]=4 18539 B14R1.6454 CN(CCCN1CCCC1)CC(=O)O 269956a_100000746989_100011445909 [0,1,0,1,0,0|2,0,0]=4 18540 B14R1.6454 NC(=O)CC(=O)CCCC1CCCC1 1458a_100134613110_100011713738 [0,1,0,1,0,0|1,0,1]=4 18541 B14R1.6454 O=C(O)CC(O)CNCC1CCCC1 269956a_100011218706_100000740388 [0,1,0,1,0,0|1,0,0]=3 18542 B14R1.6454 O=C(O)CC(O)CNCC1CCCO1 269956a_100011218706_100000183445 [0,1,0,1,0,0|2,0,0]=4 18543 B14R1.6454 O=C(O)CC(O)CNCC1CCOC1 269956a_100011218706_100011261433 [0,1,0,1,0,0|2,0,0]=4 18544 B14R1.13044 CN(CC(=O)N)C1CCCCCCC1 270004a_100000739694_100000210524 [0,1,0,1,0,0|2,0,0]=4 18545 B14R1.13081 CN(CC(=O)N)CC1CCCCCC1 2230a_100000739694_200000696569 [0,1,0,1,0,0|2,0,0]=4 18546 B14R1.13081 CN(CC(=O)O)CC1CCCCCC1 269956a_100000746989_200000696569 [0,1,0,1,0,0|1,0,0]=3 18547 B14R1.13081 NC(=O)CC(=O)CC1CCCCCC1 1458a_100000685095_100000187820 [0,1,0,1,0,0|1,0,1]=4 18548 B14R1.13081 NC(=O)CC(=O)CC1CCCCCC1 1458a_100134613110_200000696569 [0,1,0,1,0,0|1,0,1]=4 18549 B14R1.13081 O=C([O-])CC(=O)CC1CCCCCC1 1458a_100000685095_100020667443 [0,1,0,1,0,0|0,0,2]=4 18550 B14R2.716 O=C1CCCC(C1)OC2CCCC2 34a_100012613340_100000179811 [0,0,0,2,0,0|2,0,0]=4 18551 B14R2.4475 O=C1CCCC(C1)OCC2CCC2 34a_100012613340_100000763275 [0,0,0,2,0,0|2,0,0]=4 18552 B14R2.4475 O=C1CCCC(N1)COC2CCC2 34a_200000102386_100000749161 [0,0,0,2,0,0|2,0,0]=4 18553 B14R2.9061 O=C1CCCC(C1)OCCC2CC2 34a_100012613340_100000694398 [0,0,0,2,0,0|2,0,0]=4 18554 B14R2.9061 O=C1CCCC(N1)COCC2CC2 34a_200000102386_100000742324 [0,0,0,2,0,0|2,0,0]=4 18555 B14R2.19 O=C1CCC(C1)OC2CCCCC2 34a_100012614533_100000210327 [0,0,0,2,0,0|2,0,0]=4 18556 B14R2.19 O=C1OCC(O1)NC2CCCCC2 34a_100000182618_100000032252 [0,0,0,2,0,0|2,0,0]=4 18557 B14R2.19 O=C1OCC(O1)OC2CCCCC2 34a_100000210231_100000032252 [0,0,0,2,0,0|2,0,0]=4 18558 B14R2.19 O=C1OCC(O1)SC2CCCCC2 62a_100000210327_100000032252 [0,0,0,2,0,0|2,0,0]=4 18559 B14R2.97 CCC1CCCN1C2COC(=O)O2 34a_100000754278_100000032252 [0,0,0,2,0,0|2,0,0]=4 18560 B14R2.252 O=C1CCC(C1)OCC2CCCC2 34a_100012614533_100000740388 [0,0,0,2,0,0|2,0,0]=4 18561 B14R2.252 O=C1CCC(N1)COC2CCCC2 34a_100000737831_100000179811 [0,0,0,2,0,0|2,0,0]=4 18562 B14R2.252 O=C1CC[C@@H](N1)CNC2CCCC2 2230a_100015423886_100000179811 [0,0,0,2,0,0|2,0,0]=4 18563 B14R2.252 O=C1CC[C@@H](N1)CNC2CCCC2 270004a_100015423886_100000210133 [0,0,0,2,0,0|2,0,0]=4 18564 B14R2.252 O=C1CC[C@@H](N1)CNC2CCCC2 34a_100015423886_100000179811 [0,0,0,2,0,0|2,0,0]=4 18565 B14R2.252 O=C1CC[C@H](N1)CNC2CCCC2 2230a_100000211070_100015189358 [0,0,0,2,0,0|2,0,0]=4 18566 B14R2.252 O=C1CC[C@H](N1)COC2CCCC2 7a_100000210269_100015189358 [0,0,0,2,0,0|2,0,0]=4 18567 B14R2.252 O=C1CC[C@H](N1)CSC2CCCC2 62a_100011217020_100015189358 [0,0,0,2,0,0|2,0,0]=4 18568 B14R2.252 O=C1CC[C@H](N1)CSC2CCCC2 62a_100015189358_100000179811 [0,0,0,2,0,0|2,0,0]=4 18569 B14R2.252 O=C1NCC(O1)CNC2CCCC2 2230a_100000211070_100000181169 [0,0,0,2,0,0|2,0,0]=4 18570 B14R2.252 O=C1NCC(O1)CNC2CCCC2 34a_100000211070_100000181169 [0,0,0,2,0,0|2,0,0]=4 18571 B14R2.252 O=C1NCC(O1)COC2CCCC2 34a_100000210269_100000181169 [0,0,0,2,0,0|2,0,0]=4 18572 B14R2.252 O=C1NCC(O1)COC2CCCC2 34a_100011315639_100000179811 [0,0,0,2,0,0|2,0,0]=4 18573 B14R2.252 O=C1NCC(O1)COC2CCCC2 7a_100000210269_100000181169 [0,0,0,2,0,0|2,0,0]=4 18574 B14R2.252 O=C1NCC(O1)CSC2CCCC2 62a_100000181169_100000179811 [0,0,0,2,0,0|2,0,0]=4 18575 B14R2.252 O=C1NCC(O1)CSC2CCCC2 62a_100011217020_100000181169 [0,0,0,2,0,0|2,0,0]=4 18576 B14R2.252 O=C1OCC(O1)CNC2CCCC2 34a_100000211070_100000073702 [0,0,0,2,0,0|2,0,0]=4 18577 B14R2.252 O=C1OCC(O1)COC2CCCC2 34a_100000210269_100000073702 [0,0,0,2,0,0|2,0,0]=4 18578 B14R2.252 O=C1OCC(O1)CSC2CCCC2 62a_100000073702_100000179811 [0,0,0,2,0,0|2,0,0]=4 18579 B14R2.252 O=C1OCC(O1)CSC2CCCC2 62a_100011217020_100000073702 [0,0,0,2,0,0|2,0,0]=4 18580 B14R2.252 O=C1OCC(O1)NCC2CCCC2 34a_100000737975_100000032252 [0,0,0,2,0,0|2,0,0]=4 18581 B14R2.252 O=C1OCC(O1)OCC2CCCC2 34a_100000742336_100000032252 [0,0,0,2,0,0|2,0,0]=4 18582 B14R2.252 O=C1OCC(O1)SCC2CCCC2 62a_100000740388_100000032252 [0,0,0,2,0,0|2,0,0]=4 18583 B14R2.256 CC1CCCCN1C2COC(=O)O2 34a_100000211376_100000032252 [0,0,0,2,0,0|2,0,0]=4 18584 B14R2.257 CC1CC1COCC2CNC(=O)O2 34a_100000744939_100000181169 [0,0,0,2,0,0|2,0,0]=4 18585 B14R2.257 CC1CC1COCC2CNC(=O)O2 7a_100000744939_100000181169 [0,0,0,2,0,0|2,0,0]=4 18586 B14R2.257 CC1CC1COCC2COC(=O)O2 34a_100000744939_100000073702 [0,0,0,2,0,0|2,0,0]=4 18587 B14R2.257 CC1CC1COC[C@@H]2CCC(=O)N2 7a_100000744939_100015189358 [0,0,0,2,0,0|2,0,0]=4 18588 B14R2.259 CC1CCCC1OC2COC(=O)O2 34a_100011216460_100000032252 [0,0,0,2,0,0|2,0,0]=4 18589 B14R2.259 C[C@@H]1CCCN1CC2CNC(=O)O2 2230a_100015189458_100000181169 [0,0,0,2,0,0|2,0,0]=4 18590 B14R2.259 C[C@@H]1CCCN1CC2CNC(=O)O2 269982a_100015189458_100000181169 [0,0,0,2,0,0|2,0,0]=4 18591 B14R2.259 C[C@@H]1CCCN1CC2CNC(=O)O2 34a_100015189458_100000181169 [0,0,0,2,0,0|2,0,0]=4 18592 B14R2.259 C[C@@H]1CCCN1CC2COC(=O)O2 269982a_100015189458_100000073702 [0,0,0,2,0,0|2,0,0]=4 18593 B14R2.259 C[C@@H]1CCCN1CC2COC(=O)O2 34a_100015189458_100000073702 [0,0,0,2,0,0|2,0,0]=4 18594 B14R2.259 C[C@@H]1CCCN1C[C@@H]2CCC(=O)N2 2230a_100015189458_100015189358 [0,0,0,2,0,0|2,0,0]=4 18595 B14R2.259 C[C@@H]1CCCN1C[C@@H]2CCC(=O)N2 269982a_100015189458_100015189358 [0,0,0,2,0,0|2,0,0]=4 18596 B14R2.259 C[C@H]1CCCN1CC2CNC(=O)O2 2230a_100020605311_100000181169 [0,0,0,2,0,0|2,0,0]=4 18597 B14R2.259 C[C@H]1CCCN1CC2CNC(=O)O2 269982a_100020605311_100000181169 [0,0,0,2,0,0|2,0,0]=4 18598 B14R2.259 C[C@H]1CCCN1CC2COC(=O)O2 269982a_100020605311_100000073702 [0,0,0,2,0,0|2,0,0]=4 18599 B14R2.259 C[C@H]1CCCN1C[C@@H]2CCC(=O)N2 2230a_100020605311_100015189358 [0,0,0,2,0,0|2,0,0]=4 18600 B14R2.259 C[C@H]1CCCN1C[C@@H]2CCC(=O)N2 269982a_100020605311_100015189358 [0,0,0,2,0,0|2,0,0]=4 18601 B14R2.4359 O=C1OCC(O1)N2CCCCCC2 34a_100000185865_100000032252 [0,0,0,2,0,0|2,0,0]=4 18602 B14R2.4374 O=C1CCC(N1)COCCC2CC2 34a_100000737831_100000694398 [0,0,0,2,0,0|2,0,0]=4 18603 B14R2.4374 O=C1CC[C@@H](N1)CNCCC2CC2 2230a_100015423886_100000694398 [0,0,0,2,0,0|2,0,0]=4 18604 B14R2.4374 O=C1CC[C@@H](N1)CNCCC2CC2 34a_100015423886_100000694398 [0,0,0,2,0,0|2,0,0]=4 18605 B14R2.4374 O=C1CC[C@H](N1)COCCC2CC2 7a_100000754188_100015189358 [0,0,0,2,0,0|2,0,0]=4 18606 B14R2.4374 O=C1CC[C@H](N1)CSCCC2CC2 62a_100000764125_100015189358 [0,0,0,2,0,0|2,0,0]=4 18607 B14R2.4374 O=C1CC[C@H](N1)CSCCC2CC2 62a_100015189358_100000764125 [0,0,0,2,0,0|2,0,0]=4 18608 B14R2.4374 O=C1NCC(O1)CNCCC2CC2 34a_100000764129_100000181169 [0,0,0,2,0,0|2,0,0]=4 18609 B14R2.4374 O=C1NCC(O1)COCCC2CC2 34a_100000754188_100000181169 [0,0,0,2,0,0|2,0,0]=4 18610 B14R2.4374 O=C1NCC(O1)COCCC2CC2 34a_100011315639_100000694398 [0,0,0,2,0,0|2,0,0]=4 18611 B14R2.4374 O=C1NCC(O1)COCCC2CC2 7a_100000754188_100000181169 [0,0,0,2,0,0|2,0,0]=4 18612 B14R2.4374 O=C1NCC(O1)CSCCC2CC2 62a_100000181169_100000764125 [0,0,0,2,0,0|2,0,0]=4 18613 B14R2.4374 O=C1NCC(O1)CSCCC2CC2 62a_100000764125_100000181169 [0,0,0,2,0,0|2,0,0]=4 18614 B14R2.4374 O=C1OCC(O1)CNCCC2CC2 34a_100000764129_100000073702 [0,0,0,2,0,0|2,0,0]=4 18615 B14R2.4374 O=C1OCC(O1)COCCC2CC2 34a_100000754188_100000073702 [0,0,0,2,0,0|2,0,0]=4 18616 B14R2.4374 O=C1OCC(O1)CSCCC2CC2 62a_100000073702_100000764125 [0,0,0,2,0,0|2,0,0]=4 18617 B14R2.4374 O=C1OCC(O1)CSCCC2CC2 62a_100000764125_100000073702 [0,0,0,2,0,0|2,0,0]=4 18618 B14R2.4390 O=C1CCC(N1)COCC2CCC2 34a_100000737831_100000763275 [0,0,0,2,0,0|2,0,0]=4 18619 B14R2.4390 O=C1CC[C@@H](N1)CNCC2CCC2 2230a_100015423886_100000763275 [0,0,0,2,0,0|2,0,0]=4 18620 B14R2.4390 O=C1CC[C@@H](N1)CNCC2CCC2 269862a_100015423886_100000753134 [0,0,0,2,0,0|2,0,0]=4 18621 B14R2.4390 O=C1CC[C@@H](N1)CNCC2CCC2 34a_100015423886_100000763275 [0,0,0,2,0,0|2,0,0]=4 18622 B14R2.4390 O=C1CC[C@H](N1)CNCC2CCC2 2230a_100000738700_100015189358 [0,0,0,2,0,0|2,0,0]=4 18623 B14R2.4390 O=C1CC[C@H](N1)CSCC2CCC2 62a_100000763275_100015189358 [0,0,0,2,0,0|2,0,0]=4 18624 B14R2.4390 O=C1CC[C@H](N1)CSCC2CCC2 62a_100015189358_100000763275 [0,0,0,2,0,0|2,0,0]=4 18625 B14R2.4390 O=C1NCC(O1)CNCC2CCC2 2230a_100000738700_100000181169 [0,0,0,2,0,0|2,0,0]=4 18626 B14R2.4390 O=C1NCC(O1)CNCC2CCC2 34a_100000738700_100000181169 [0,0,0,2,0,0|2,0,0]=4 18627 B14R2.4390 O=C1NCC(O1)COCC2CCC2 34a_100000760304_100000181169 [0,0,0,2,0,0|2,0,0]=4 18628 B14R2.4390 O=C1NCC(O1)COCC2CCC2 34a_100011315639_100000763275 [0,0,0,2,0,0|2,0,0]=4 18629 B14R2.4390 O=C1NCC(O1)CSCC2CCC2 62a_100000181169_100000763275 [0,0,0,2,0,0|2,0,0]=4 18630 B14R2.4390 O=C1NCC(O1)CSCC2CCC2 62a_100000763275_100000181169 [0,0,0,2,0,0|2,0,0]=4 18631 B14R2.4390 O=C1OCC(O1)CNCC2CCC2 34a_100000738700_100000073702 [0,0,0,2,0,0|2,0,0]=4 18632 B14R2.4390 O=C1OCC(O1)COCC2CCC2 34a_100000760304_100000073702 [0,0,0,2,0,0|2,0,0]=4 18633 B14R2.4390 O=C1OCC(O1)CSCC2CCC2 62a_100000073702_100000763275 [0,0,0,2,0,0|2,0,0]=4 18634 B14R2.4390 O=C1OCC(O1)CSCC2CCC2 62a_100000763275_100000073702 [0,0,0,2,0,0|2,0,0]=4 18635 B14R2.450 CN1[C@@H](C[C@H]2[C@@H]1CCCC2)C(=O)O 269956a_100000703543_200000210301 [0,0,0,2,0,0|1,0,0]=3 18636 B14R2.450 [13CH3]N1[C@@H](C[C@H]2[C@@H]1CCCC2)C(=O)O 269956a_100000703543_200025704644 [0,0,0,2,0,0|1,0,0]=3 18637 B14R2.781 CC(=O)N1CCC2CCCCC2C1 11a_100000211783_100015343762 [0,0,0,2,0,0|2,0,0]=4 18638 B14R2.781 CC(=O)N1CCC2CCCCC2C1 1626a_100000211783_100015343762 [0,0,0,2,0,0|2,0,0]=4 18639 B14R2.781 CC(=O)N1CCC2CCCCC2C1 240690a_100000211783_100015343762 [0,0,0,2,0,0|2,0,0]=4 18640 B14R2.781 CC(=O)N1CCC2CCCCC2C1 527a_100000211783_100103153847 [0,0,0,2,0,0|2,0,0]=4 18641 B14R2.2967 CCC1CCCCN1C2CC(=O)C2 269982a_100000210034_100009894365 [0,0,0,2,0,0|2,0,0]=4 18642 B14R2.9466 CC(=O)CCN1CC2CCC1CC2 269982a_100000750499_100000053229 [0,0,0,2,0,0|2,0,0]=4 18643 B14R2.9466 NC(=O)CCN1CC2CCC1CC2 2230a_100000750499_100000744528 [0,0,0,2,0,0|2,0,0]=4 18644 B14R2.9466 NC(=O)CCN1CC2CCC1CC2 269982a_100000750499_100000744528 [0,0,0,2,0,0|2,0,0]=4 18645 B14R2.9466 NC(=O)CCN1CC2CCC1CC2 34a_100000750499_100000731001 [0,0,0,2,0,0|2,0,0]=4 18646 B14R2.1112 CCC1CCCN1CC2CC(=O)C2 2230a_100000754278_100009874392 [0,0,0,2,0,0|2,0,0]=4 18647 B14R2.1112 CCC1CCCN1CC2CC(=O)C2 269982a_100000754278_100009874392 [0,0,0,2,0,0|2,0,0]=4 18648 B14R2.9432 CC(=O)CCCN1CCCC12CC2 269982a_100020620911_100011215641 [0,0,0,2,0,0|2,0,0]=4 18649 B14R2.9432 CC(=O)CCCN1CCCC12CC2 34a_100020620911_100000685027 [0,0,0,2,0,0|2,0,0]=4 18650 B14R2.9432 NC(=O)CCCN1CCCC12CC2 269982a_100020620911_100102525003 [0,0,0,2,0,0|2,0,0]=4 18651 B14R2.9432 NC(=O)CCCN1CCCC12CC2 34a_100020620911_100102525003 [0,0,0,2,0,0|2,0,0]=4 18652 B14R2.9432 NC(=O)CCNC1CCCC12CC2 269862a_100000740010_100009881796 [0,0,0,2,0,0|2,0,0]=4 18653 B14R2.9499 CC(=O)CCCN1CC2CCC1C2 269982a_100000743476_100011215641 [0,0,0,2,0,0|2,0,0]=4 18654 B14R2.9499 CC(=O)CCCN1CC2CCC1C2 34a_100000743476_100000685027 [0,0,0,2,0,0|2,0,0]=4 18655 B14R2.9499 CC(=O)CCOC1CC2CCC1C2 34a_100000759926_100000727232 [0,0,0,2,0,0|2,0,0]=4 18656 B14R2.9499 CC(=O)CCSC1CC2CCC1C2 62a_100000053229_100000727232 [0,0,0,2,0,0|2,0,0]=4 18657 B14R2.9499 CC(=O)CCSC1CC2CCC1C2 62a_100000727232_100000053229 [0,0,0,2,0,0|2,0,0]=4 18658 B14R2.9499 NC(=O)CCCN1CC2CCC1C2 269982a_100000743476_100102525003 [0,0,0,2,0,0|2,0,0]=4 18659 B14R2.9499 NC(=O)CCCN1CC2CCC1C2 34a_100000743476_100102525003 [0,0,0,2,0,0|2,0,0]=4 18660 B14R2.9499 NC(=O)CCNC1CC2CCC1C2 2230a_100000758229_100000744528 [0,0,0,2,0,0|2,0,0]=4 18661 B14R2.9499 NC(=O)CCNC1CC2CCC1C2 269862a_100000740010_100000223372 [0,0,0,2,0,0|2,0,0]=4 18662 B14R2.9499 NC(=O)CCNC1CC2CCC1C2 34a_100000758229_100000731001 [0,0,0,2,0,0|2,0,0]=4 18663 B14R2.9499 NC(=O)CCOC1CC2CCC1C2 34a_100000211339_100000731001 [0,0,0,2,0,0|2,0,0]=4 18664 B14R2.9499 NC(=O)CCOC1CC2CCC1C2 34a_100000757172_100000727232 [0,0,0,2,0,0|2,0,0]=4 18665 B14R2.9499 NC(=O)CCSC1CC2CCC1C2 62a_100000727232_100000744528 [0,0,0,2,0,0|2,0,0]=4 18666 B14R2.9499 NC(=O)CCSC1CC2CCC1C2 62a_100000744528_100000727232 [0,0,0,2,0,0|2,0,0]=4 18667 B14R2.9499 NC(=O)COCC1CC2CCC1C2 34a_100000229996_100000187820 [0,0,0,2,0,0|2,0,0]=4 18668 B14R2.9499 O=C(O)CONC1CC2CCC1C2 269956a_100000106656_100000727232 [0,0,0,2,0,0|2,0,0]=4 18669 B14R2.9499 O=C([O-])COCC1CC2CCC1C2 34a_100000229996_100020667443 [0,0,0,2,0,0|1,0,1]=4 18670 B14R2.11007 CC(=O)CCCN1C2CCC1CC2 269982a_100000735658_100011215641 [0,0,0,2,0,0|2,0,0]=4 18671 B14R2.11007 CC(=O)CCCN1C2CCC1CC2 34a_100000735658_100000685027 [0,0,0,2,0,0|2,0,0]=4 18672 B14R2.11007 CC(=O)CCOC1C2CCC1CC2 34a_100000759926_100009813300 [0,0,0,2,0,0|2,0,0]=4 18673 B14R2.11007 CC(=O)CCSC1C2CCC1CC2 62a_100000053229_100009813300 [0,0,0,2,0,0|2,0,0]=4 18674 B14R2.11007 CC(=O)CCSC1C2CCC1CC2 62a_100009813300_100000053229 [0,0,0,2,0,0|2,0,0]=4 18675 B14R2.11007 NC(=O)CCCN1C2CCC1CC2 269982a_100000735658_100102525003 [0,0,0,2,0,0|2,0,0]=4 18676 B14R2.11007 NC(=O)CCCN1C2CCC1CC2 34a_100000735658_100102525003 [0,0,0,2,0,0|2,0,0]=4 18677 B14R2.11007 NC(=O)CCOC1C2CCC1CC2 34a_100000757172_100009813300 [0,0,0,2,0,0|2,0,0]=4 18678 B14R2.11007 NC(=O)CCSC1C2CCC1CC2 62a_100000744528_100009813300 [0,0,0,2,0,0|2,0,0]=4 18679 B14R2.11007 NC(=O)CCSC1C2CCC1CC2 62a_100009813300_100000744528 [0,0,0,2,0,0|2,0,0]=4 18680 B14R2.11007 O=C(O)CONC1C2CCC1CC2 269956a_100000106656_100009813300 [0,0,0,2,0,0|2,0,0]=4 18681 B14R2.663 CC1CCCCN1CC2CC(=O)C2 2230a_100000211376_100009874392 [0,0,0,2,0,0|2,0,0]=4 18682 B14R2.663 CC1CCCCN1CC2CC(=O)C2 269982a_100000211376_100009874392 [0,0,0,2,0,0|2,0,0]=4 18683 B14R2.768 NC(=O)CN1C[C@H]2CCCC[C@H]2C1 2230a_100015204113_100000747473 [0,0,0,2,0,0|2,0,0]=4 18684 B14R2.768 NC(=O)CN1C[C@H]2CCCC[C@H]2C1 269982a_100015204113_100000187820 [0,0,0,2,0,0|2,0,0]=4 18685 B14R2.768 NC(=O)CN1C[C@H]2CCCC[C@H]2C1 34a_100015204113_100000187820 [0,0,0,2,0,0|2,0,0]=4 18686 B14R2.768 O=C([O-])CN1C[C@H]2CCCC[C@H]2C1 269982a_100015204113_100020667443 [0,0,0,2,0,0|1,0,1]=4 18687 B14R2.768 O=C([O-])CN1C[C@H]2CCCC[C@H]2C1 34a_100015204113_100020667443 [0,0,0,2,0,0|1,0,1]=4 18688 B14R2.36485 NC(=O)CCNC1CCCC2C1C2 269862a_100000740010_100000697651 [0,0,0,2,0,0|2,0,0]=4 18689 B14R2.770 CC(=O)CCN1C[C@H]2CCC[C@H]2C1 269982a_100102946302_100000053229 [0,0,0,2,0,0|2,0,0]=4 18690 B14R2.770 NC(=O)CCN1C[C@H]2CCC[C@H]2C1 2230a_100102946302_100000744528 [0,0,0,2,0,0|2,0,0]=4 18691 B14R2.770 NC(=O)CCN1C[C@H]2CCC[C@H]2C1 269982a_100102946302_100000744528 [0,0,0,2,0,0|2,0,0]=4 18692 B14R2.770 NC(=O)CCN1C[C@H]2CCC[C@H]2C1 34a_100102946302_100000731001 [0,0,0,2,0,0|2,0,0]=4 18693 B14R2.5205 O=C(O)C1CCN1[C@@H]2CCC[C@H]2O 269956a_100000021838_200016002552 [0,0,0,2,0,0|2,0,0]=4 18694 B14R2.5305 CC1CCCC1OCC2CC(=O)C2 7a_100011216460_100009874392 [0,0,0,2,0,0|2,0,0]=4 18695 B14R2.31151 CC(=O)CCCOC1CCC2C1C2 34a_200012295571_100000685027 [0,0,0,2,0,0|2,0,0]=4 18696 B14R2.31151 NC(=O)CCCNC1CCC2C1C2 269862a_100000739312_100000692480 [0,0,0,2,0,0|2,0,0]=4 18697 B14R2.31151 NC(=O)CCCOC1CCC2C1C2 34a_200012295571_100102525003 [0,0,0,2,0,0|2,0,0]=4 18698 B14R2.11019 CC(=O)CCCCN1CC2CC2C1 269982a_100000741873_100000735457 [0,0,0,2,0,0|2,0,0]=4 18699 B14R2.11019 CC(=O)CCCCN1CC2CC2C1 34a_100000741873_100009817362 [0,0,0,2,0,0|2,0,0]=4 18700 B14R2.9509 O=C(O)C1CCCCCN1C2CC2 269956a_100000758484_100000211595 [0,0,0,2,0,0|1,0,0]=3 18701 B14R2.436 O=C1CC(C1)CNC2CCCCC2 2230a_100000182618_100009874392 [0,0,0,2,0,0|2,0,0]=4 18702 B14R2.436 O=C1CC(C1)COC2CCCCC2 34a_100000101936_100000210327 [0,0,0,2,0,0|2,0,0]=4 18703 B14R2.436 O=C1CC(C1)COC2CCCCC2 7a_100000210231_100009874392 [0,0,0,2,0,0|2,0,0]=4 18704 B14R2.436 O=C1CC(C1)CSC2CCCCC2 62a_100000210327_100009874392 [0,0,0,2,0,0|2,0,0]=4 18705 B14R2.436 O=C1CC(C1)CSC2CCCCC2 62a_100009874392_100000210327 [0,0,0,2,0,0|2,0,0]=4 18706 B14R2.436 O=C1CC(C1)SCC2CCCCC2 62a_100009894365_100000211423 [0,0,0,2,0,0|2,0,0]=4 18707 B14R2.769 CC(=O)NCC1CC12CCCCC2 11a_100015185624_100015343762 [0,0,0,2,0,0|2,0,0]=4 18708 B14R2.769 CC(=O)NCC1CC12CCCCC2 1626a_100015185624_100015343762 [0,0,0,2,0,0|2,0,0]=4 18709 B14R2.769 CC(=O)NCC1CC12CCCCC2 240690a_100015185624_100015343762 [0,0,0,2,0,0|2,0,0]=4 18710 B14R2.769 CC(=O)NCC1CC12CCCCC2 527a_100015185624_100103153847 [0,0,0,2,0,0|2,0,0]=4 18711 B14R2.780 O=C(O)C1CCN1C2CCCCC2 269956a_100000021838_100000210327 [0,0,0,2,0,0|1,0,0]=3 18712 B14R2.780 O=C(O)C1CCN1C2CCCOC2 269956a_100000021838_100000693364 [0,0,0,2,0,0|2,0,0]=4 18713 B14R2.780 O=C(O)C1CCN1C2CCOCC2 269956a_100000021838_100011324220 [0,0,0,2,0,0|2,0,0]=4 18714 B14R2.780 O=C(O)C1CCN1C2CCSCC2 269956a_100000021838_100000069128 [0,0,0,2,0,0|2,0,0]=4 18715 B14R2.31359 CC(=O)N1CCCC2C1CCCC2 11a_100000211887_100015343762 [0,0,0,2,0,0|2,0,0]=4 18716 B14R2.31359 CC(=O)N1CCCC2C1CCCC2 240690a_100000211887_100015343762 [0,0,0,2,0,0|2,0,0]=4 18717 B14R2.31359 CC(=O)N1CCCC2C1CCCC2 527a_100000211887_100103153847 [0,0,0,2,0,0|2,0,0]=4 18718 B14R2.439 O=C1CC(C1)CNCC2CCCC2 2230a_100000737975_100009874392 [0,0,0,2,0,0|2,0,0]=4 18719 B14R2.439 O=C1CC(C1)COCC2CCCC2 34a_100000101936_100000740388 [0,0,0,2,0,0|2,0,0]=4 18720 B14R2.439 O=C1CC(C1)COCC2CCCC2 7a_100000742336_100009874392 [0,0,0,2,0,0|2,0,0]=4 18721 B14R2.439 O=C1CC(C1)CSCC2CCCC2 62a_100000740388_100009874392 [0,0,0,2,0,0|2,0,0]=4 18722 B14R2.439 O=C1CC(C1)CSCC2CCCC2 62a_100009874392_100000740388 [0,0,0,2,0,0|2,0,0]=4 18723 B14R2.439 O=C1CC(C1)SCCC2CCCC2 62a_100009894365_100000760354 [0,0,0,2,0,0|2,0,0]=4 18724 B14R2.763 CC(=O)N1CCCC1C2CCCC2 11a_100000743374_100015343762 [0,0,0,2,0,0|2,0,0]=4 18725 B14R2.763 CC(=O)N1CCCC1C2CCCC2 1626a_100000743374_100015343762 [0,0,0,2,0,0|2,0,0]=4 18726 B14R2.763 CC(=O)N1CCCC1C2CCCC2 240690a_100000743374_100015343762 [0,0,0,2,0,0|2,0,0]=4 18727 B14R2.763 CC(=O)N1CCCC1C2CCCC2 527a_100000743374_100103153847 [0,0,0,2,0,0|2,0,0]=4 18728 B14R2.763 NC(=O)[C@@H]1CCCN1C2CCCC2 2230a_100000003125_100000179811 [0,0,0,2,0,0|2,0,0]=4 18729 B14R2.763 NC(=O)[C@@H]1CCCN1C2CCCC2 270004a_100000003125_100000210133 [0,0,0,2,0,0|2,0,0]=4 18730 B14R2.763 O=C(O)C1SCCN1C2CCCC2 269956a_100000035718_100000179811 [0,0,0,2,0,0|2,0,0]=4 18731 B14R2.763 O=C(O)[C@@H]1CCCN1C2CCCC2 269956a_100000743916_100000179811 [0,0,0,2,0,0|1,0,0]=3 18732 B14R2.763 O=C(O)[C@@H]1CCCN1C2CCOC2 269956a_100000743916_100000731011 [0,0,0,2,0,0|2,0,0]=4 18733 B14R2.763 O=C(O)[C@@H]1CSCN1C2CCCC2 269956a_100000743924_100000179811 [0,0,0,2,0,0|2,0,0]=4 18734 B14R2.765 O=C(O)C1CCN1CC2CCCC2 269956a_100000021838_100000740388 [0,0,0,2,0,0|1,0,0]=3 18735 B14R2.765 O=C(O)C1CCN1CC2CCCO2 269956a_100000021838_100000183445 [0,0,0,2,0,0|2,0,0]=4 18736 B14R2.765 O=C(O)C1CCN1CC2CCOC2 269956a_100000021838_100011261433 [0,0,0,2,0,0|2,0,0]=4 18737 B14R2.8940 O=C1CC(C1)N2CCCCCCC2 269982a_100000211400_100009894365 [0,0,0,2,0,0|2,0,0]=4 18738 B14R2.8995 O=C1CC(C1)CN2CCCCCC2 2230a_100000185865_100009874392 [0,0,0,2,0,0|2,0,0]=4 18739 B14R2.8995 O=C1CC(C1)CN2CCCCCC2 269982a_100000185865_100009874392 [0,0,0,2,0,0|2,0,0]=4 18740 B14R2.8995 O=C1CC(C1)SC2CCCCCC2 62a_100009894365_100011217769 [0,0,0,2,0,0|2,0,0]=4 18741 B14R2.9577 NC(=O)CC1CCCCN1C2CC2 269982a_100015184752_100000211595 [0,0,0,2,0,0|2,0,0]=4 18742 B14R2.9577 NC(=O)CC1CCCCN1C2CC2 34a_100015184752_100000211595 [0,0,0,2,0,0|2,0,0]=4 18743 B14R2.4281 CCN1[C@@H](C[C@H]2[C@@H]1CCC2)C(=O)O 269956a_100015758391_100000210202 [0,0,0,2,0,0|1,0,0]=3 18744 B14R2.4281 O=C(O)[C@@H]1C[C@@H]2CCC[C@@H]2N1CF 269956a_100015758391_100015361967 [0,0,0,2,0,0|2,0,0]=4 18745 B14R2.9445 CC(=O)CCN1CCCC1C2CC2 269982a_200000757794_100000053229 [0,0,0,2,0,0|2,0,0]=4 18746 B14R2.9445 NC(=O)CCN1CCCC1C2CC2 2230a_200000757794_100000744528 [0,0,0,2,0,0|2,0,0]=4 18747 B14R2.9445 NC(=O)CCN1CCCC1C2CC2 269982a_200000757794_100000744528 [0,0,0,2,0,0|2,0,0]=4 18748 B14R2.9445 NC(=O)CCN1CCCC1C2CC2 34a_200000757794_100000731001 [0,0,0,2,0,0|2,0,0]=4 18749 B14R2.30999 CC(=O)NCC12CCCC1CCC2 11a_100159271432_100015343762 [0,0,0,2,0,0|2,0,0]=4 18750 B14R2.30999 CC(=O)NCC12CCCC1CCC2 1626a_100159271432_100015343762 [0,0,0,2,0,0|2,0,0]=4 18751 B14R2.30999 CC(=O)NCC12CCCC1CCC2 240690a_100159271432_100015343762 [0,0,0,2,0,0|2,0,0]=4 18752 B14R2.30999 CC(=O)NCC12CCCC1CCC2 527a_100159271432_100103153847 [0,0,0,2,0,0|2,0,0]=4 18753 B14R2.9513 NC(=O)C1CCCCN1CC2CC2 2230a_100000181395_100000742324 [0,0,0,2,0,0|2,0,0]=4 18754 B14R2.9513 NC(=O)C1CCCCN1CC2CC2 269982a_100000181395_100000756562 [0,0,0,2,0,0|2,0,0]=4 18755 B14R2.9513 NC(=O)C1CCCCN1CC2CC2 34a_100000181395_100000742324 [0,0,0,2,0,0|2,0,0]=4 18756 B14R2.9513 O=C(O)C1CCSCN1CC2CC2 269956a_100015185162_100000742324 [0,0,0,2,0,0|2,0,0]=4 18757 B14R2.9513 O=C(O)C1CSCCN1CC2CC2 269956a_100011346106_100000742324 [0,0,0,2,0,0|2,0,0]=4 18758 B14R2.9513 O=C(O)[C@@H]1CCCC[C@H]1NC2CC2 269956a_100009816435_100000211595 [0,0,0,2,0,0|1,0,0]=3 18759 B14R2.9513 O=C(O)[C@H]1CCCCN1CC2CC2 269956a_100000763471_100000742324 [0,0,0,2,0,0|1,0,0]=3 18760 B14R2.9513 O=C(O)[C@H]1CCCCN1CC2CO2 269956a_100000763471_102125554688 [0,0,0,2,0,0|2,0,0]=4 18761 B14R2.9513 O=C(O)[C@H]1CCCCN1CC2CS2 269956a_100000763471_100000031435 [0,0,0,2,0,0|2,0,0]=4 18762 B14R2.9513 O=C(O)[C@H]1CCCCN1C[C@@H]2CO2 269956a_100000763471_100000745022 [0,0,0,2,0,0|2,0,0]=4 18763 B14R2.9513 O=C(O)[C@H]1COCCN1CC2CC2 269956a_100016993156_100000742324 [0,0,0,2,0,0|2,0,0]=4 18764 B14R2.9532 NC(=O)C1CCCCN1C2CCC2 269982a_100000181395_100000749161 [0,0,0,2,0,0|2,0,0]=4 18765 B14R2.9532 NC(=O)C1CCCCN1C2CCC2 270004a_100000181395_100000241760 [0,0,0,2,0,0|2,0,0]=4 18766 B14R2.9532 NC(=O)C1CCCCN1C2CCC2 34a_100000181395_100000749161 [0,0,0,2,0,0|2,0,0]=4 18767 B14R2.9532 O=C(O)C1CCSCN1C2CCC2 269956a_100015185162_100000749161 [0,0,0,2,0,0|2,0,0]=4 18768 B14R2.9532 O=C(O)C1CSCCN1C2CCC2 269956a_100011346106_100000749161 [0,0,0,2,0,0|2,0,0]=4 18769 B14R2.9532 O=C(O)[C@H]1CCCCN1C2CCC2 269956a_100000763471_100000749161 [0,0,0,2,0,0|1,0,0]=3 18770 B14R2.9532 O=C(O)[C@H]1CCCCN1C2COC2 269956a_100000763471_100009818527 [0,0,0,2,0,0|2,0,0]=4 18771 B14R2.9532 O=C(O)[C@H]1COCCN1C2CCC2 269956a_100016993156_100000749161 [0,0,0,2,0,0|2,0,0]=4 18772 B14R2.9564 NC(=O)[C@@H]1CCCN1CC2CCC2 2230a_100000003125_100000763275 [0,0,0,2,0,0|2,0,0]=4 18773 B14R2.9564 O=C(O)C1SCCN1CC2CCC2 269956a_100000035718_100000763275 [0,0,0,2,0,0|2,0,0]=4 18774 B14R2.9564 O=C(O)[C@@H]1CCCN1CC2CCC2 269956a_100000743916_100000763275 [0,0,0,2,0,0|1,0,0]=3 18775 B14R2.9564 O=C(O)[C@@H]1CCCN1CC2CCO2 269956a_100000743916_100000103362 [0,0,0,2,0,0|2,0,0]=4 18776 B14R2.9564 O=C(O)[C@@H]1CCCN1CC2COC2 269956a_100000743916_100010264016 [0,0,0,2,0,0|2,0,0]=4 18777 B14R2.9564 O=C(O)[C@@H]1CSCN1CC2CCC2 269956a_100000743924_100000763275 [0,0,0,2,0,0|2,0,0]=4 18778 B14R2.9563 NC(=O)[C@@H]1CCCN1CCC2CC2 2230a_100000003125_100000694398 [0,0,0,2,0,0|2,0,0]=4 18779 B14R2.9563 O=C(O)C1SCCN1CCC2CC2 269956a_100000035718_100000694398 [0,0,0,2,0,0|2,0,0]=4 18780 B14R2.9563 O=C(O)[C@@H]1CCCN1CCC2CC2 269956a_100000743916_100000694398 [0,0,0,2,0,0|1,0,0]=3 18781 B14R2.9563 O=C(O)[C@@H]1CCCN1CCC2CO2 269956a_100000743916_100000732470 [0,0,0,2,0,0|2,0,0]=4 18782 B14R2.9563 O=C(O)[C@@H]1CSCN1CCC2CC2 269956a_100000743924_100000694398 [0,0,0,2,0,0|2,0,0]=4 18783 B14R2.31453 O=C(O)C1CCN1CCCC2CO2 269956a_100000021838_100000733510 [0,0,0,2,0,0|2,0,0]=4