0 B13R0.54 C#CCCCCCCCNCC(=O)N 2230a_100000711301_100153394163 [0,0,0,0,0,0|2,0,2]=4 1 B13R0.54 C#CCCCCCCCNCC(=O)O 269956a_100016091260_100153394163 [0,0,0,0,0,0|2,0,2]=4 2 B13R0.54 C#CCCCCCCCOCC(=O)C 34a_100000211253_100153394163 [0,0,0,0,0,0|2,0,2]=4 3 B13R0.54 C#CCCCCCCCOCC(=O)N 34a_100000054614_100000187820 [0,0,0,0,0,0|2,0,2]=4 4 B13R0.54 C#CCCCCCCCOCC(=O)N 7a_100000054614_100000187820 [0,0,0,0,0,0|2,0,2]=4 5 B13R0.54 C#CCCCCCCCOCC(=O)[O-] 34a_100000054614_100020667443 [0,0,0,0,0,0|2,0,2]=4 6 B13R0.54 C#CCCCCCCCSCC(=O)N 62a_100000747473_100153394163 [0,0,0,0,0,0|2,0,2]=4 7 B13R0.54 C#CCCCCCCCSCC(=O)N 62a_100153394163_100000747473 [0,0,0,0,0,0|2,0,2]=4 8 B13R0.54 C#CCCCCCCCSCC(=O)[O-] 62a_100020667443_100153394163 [0,0,0,0,0,0|2,0,2]=4 9 B13R0.54 C#CCCCCCCCSCC(=O)[O-] 62a_100153394163_100020667443 [0,0,0,0,0,0|2,0,2]=4 10 B13R0.54 C#CCCCCCCOCCC(=O)C 34a_100000759926_100012276617 [0,0,0,0,0,0|2,0,2]=4 11 B13R0.54 C#CCCCCCCOCCC(=O)C 7a_100000759926_100012276617 [0,0,0,0,0,0|2,0,2]=4 12 B13R0.54 C#CCCCCCCOCCC(=O)C 7a_100011217361_100000053229 [0,0,0,0,0,0|2,0,2]=4 13 B13R0.54 C#CCCCCCCOCCC(=O)N 34a_100000757172_100012276617 [0,0,0,0,0,0|2,0,2]=4 14 B13R0.54 C#CCCCCCCOCCC(=O)N 34a_100011217361_100000731001 [0,0,0,0,0,0|2,0,2]=4 15 B13R0.54 C#CCCCCCCOCCC(=O)N 7a_100000757172_100012276617 [0,0,0,0,0,0|2,0,2]=4 16 B13R0.54 C#CCCCCCCOCCC(=O)N 7a_100011217361_100000744528 [0,0,0,0,0,0|2,0,2]=4 17 B13R0.54 C#CCCCCCCSCCC(=O)C 62a_100000053229_100012276617 [0,0,0,0,0,0|2,0,2]=4 18 B13R0.54 C#CCCCCCCSCCC(=O)C 62a_100012276617_100000053229 [0,0,0,0,0,0|2,0,2]=4 19 B13R0.54 C#CCCCCCCSCCC(=O)N 62a_100000744528_100012276617 [0,0,0,0,0,0|2,0,2]=4 20 B13R0.54 C#CCCCCCCSCCC(=O)N 62a_100012276617_100000744528 [0,0,0,0,0,0|2,0,2]=4 21 B13R0.54 C#CCCCCCNCCCC(=O)N 34a_100000739312_100012094781 [0,0,0,0,0,0|2,0,2]=4 22 B13R0.54 C#CCCCCCOCCCC(=O)C 34a_100000759063_100012094781 [0,0,0,0,0,0|2,0,2]=4 23 B13R0.54 C#CCCCCCOCCCC(=O)C 34a_100000766912_100000685027 [0,0,0,0,0,0|2,0,2]=4 24 B13R0.54 C#CCCCCCOCCCC(=O)C 7a_100000759063_100012094781 [0,0,0,0,0,0|2,0,2]=4 25 B13R0.54 C#CCCCCCOCCCC(=O)C 7a_100000766912_100011215641 [0,0,0,0,0,0|2,0,2]=4 26 B13R0.54 C#CCCCCCOCCCC(=O)N 34a_100000766912_100102525003 [0,0,0,0,0,0|2,0,2]=4 27 B13R0.54 C#CCCCCCOCCCC(=O)N 7a_100000766912_100102525003 [0,0,0,0,0,0|2,0,2]=4 28 B13R0.54 C#CCCCCCSCCCC(=O)C 62a_100011215641_100012094781 [0,0,0,0,0,0|2,0,2]=4 29 B13R0.54 C#CCCCCCSCCCC(=O)C 62a_100012094781_100011215641 [0,0,0,0,0,0|2,0,2]=4 30 B13R0.54 C#CCCCCCSCCCC(=O)N 62a_100012094781_100102525003 [0,0,0,0,0,0|2,0,2]=4 31 B13R0.54 C#CCCCCCSCCCC(=O)N 62a_100102525003_100012094781 [0,0,0,0,0,0|2,0,2]=4 32 B13R0.54 C#CCCCCNCCCCC(=O)C 34a_100000706060_100009817362 [0,0,0,0,0,0|2,0,2]=4 33 B13R0.54 C#CCCCCNCCCCC(=O)N 34a_100000696515_100010269958 [0,0,0,0,0,0|2,0,2]=4 34 B13R0.54 C#CCCCCOCCCCC(=O)C 34a_100000766709_100009817362 [0,0,0,0,0,0|2,0,2]=4 35 B13R0.54 C#CCCCCOCCCCC(=O)C 7a_100000766709_100000735457 [0,0,0,0,0,0|2,0,2]=4 36 B13R0.54 C#CCCCCOCCCCC(=O)N 34a_100012022536_100010269958 [0,0,0,0,0,0|2,0,2]=4 37 B13R0.54 C#CCCCCOCCCCC(=O)N 7a_100012022536_100010269958 [0,0,0,0,0,0|2,0,2]=4 38 B13R0.54 C#CCCCCSCCCCC(=O)C 62a_100000735457_100010269958 [0,0,0,0,0,0|2,0,2]=4 39 B13R0.54 C#CCCCCSCCCCC(=O)C 62a_100010269958_100000735457 [0,0,0,0,0,0|2,0,2]=4 40 B13R0.54 C#CCCCNCCCCCC(=O)N 34a_100000718082_100009817443 [0,0,0,0,0,0|2,0,2]=4 41 B13R0.54 C#CCCCOCCCCCC(=O)N 34a_100000123541_100000695029 [0,0,0,0,0,0|2,0,2]=4 42 B13R0.54 C#CCCCOCCCCCC(=O)N 34a_100000215630_100009817443 [0,0,0,0,0,0|2,0,2]=4 43 B13R0.54 C#CCCCOCCCCCC(=O)N 7a_100000123541_100011215417 [0,0,0,0,0,0|2,0,2]=4 44 B13R0.54 C#CCCCOCCCCCC(=O)N 7a_100000215630_100009817443 [0,0,0,0,0,0|2,0,2]=4 45 B13R0.54 C#CCCCOCCCCCC(=O)[O-] 7a_100102619762_100011215417 [0,0,0,0,0,0|2,0,2]=4 46 B13R0.54 C#CCCCSCCCCCC(=O)N 62a_100009817443_100011215417 [0,0,0,0,0,0|2,0,2]=4 47 B13R0.54 C#CCCCSCCCCCC(=O)N 62a_100011215417_100009817443 [0,0,0,0,0,0|2,0,2]=4 48 B13R0.54 C/C=C/CCOCCCCCC(=O)N 34a_100016278192_100009817443 [0,0,0,0,0,0|2,0,2]=4 49 B13R0.54 C=C(Br)CCOCCCCCCCC 34a_100009813270_100000210759 [0,0,0,0,0,0|2,1,0]=3 50 B13R0.54 C=C(Br)CCOCCCCCCCO 34a_100009813270_100000760002 [0,0,0,0,0,0|3,1,0]=4 51 B13R0.54 C=C(Br)CCOCCCCCCOC 34a_100009813270_100011998445 [0,0,0,0,0,0|3,1,0]=4 52 B13R0.54 C=C(C)CCNCCCCCCCC 2230a_100000229939_100000730704 [0,0,0,0,0,0|3,0,0]=3 53 B13R0.54 C=C(C)CCNCCCCCCCC 34a_100000229939_100000730704 [0,0,0,0,0,0|3,0,0]=3 54 B13R0.54 C=C(C)CCNCCCCCCCO 2230a_100011996573_100000730704 [0,0,0,0,0,0|4,0,0]=4 55 B13R0.54 C=C(C)CCNCCCCCCCO 34a_100011996573_100000730704 [0,0,0,0,0,0|4,0,0]=4 56 B13R0.54 C=C(C)CCNCCCOCCCC 2230a_200000211371_100000730704 [0,0,0,0,0,0|4,0,0]=4 57 B13R0.54 C=C(C)CCNCCCOCCCC 34a_200000211371_100000730704 [0,0,0,0,0,0|4,0,0]=4 58 B13R0.54 C=C(C)CCOCCCCCCCBr 34a_100000760002_100000730704 [0,0,0,0,0,0|4,0,0]=4 59 B13R0.54 C=C(C)CCOCCCCCCCBr 7a_100000760002_100000730704 [0,0,0,0,0,0|4,0,0]=4 60 B13R0.54 C=C(C)CCOCCCCCCCC 34a_100000210232_100000730704 [0,0,0,0,0,0|3,0,0]=3 61 B13R0.54 C=C(C)CCOCCCCCCCC 34a_100000764851_100000210759 [0,0,0,0,0,0|3,0,0]=3 62 B13R0.54 C=C(C)CCOCCCCCCCC 7a_100000210232_100000730704 [0,0,0,0,0,0|3,0,0]=3 63 B13R0.54 C=C(C)CCOCCCCCCCN 34a_100011996573_100000730704 [0,0,0,0,0,0|4,0,0]=4 64 B13R0.54 C=C(C)CCOCCCCCCCO 34a_100000764851_100000760002 [0,0,0,0,0,0|4,0,0]=4 65 B13R0.54 C=C(C)CCOCCCCCCOC 34a_100000764851_100011998445 [0,0,0,0,0,0|4,0,0]=4 66 B13R0.54 C=C(C)CCOCCCCCCOC 34a_200012092642_100000730704 [0,0,0,0,0,0|4,0,0]=4 67 B13R0.54 C=C(C)CCOCCCCCCOC 7a_200012092642_100000730704 [0,0,0,0,0,0|4,0,0]=4 68 B13R0.54 C=C(C)CCOCCCOCCCC 34a_200011215613_100000730704 [0,0,0,0,0,0|4,0,0]=4 69 B13R0.54 C=C(C)CCOCCCOCCCC 7a_200011215613_100000730704 [0,0,0,0,0,0|4,0,0]=4 70 B13R0.54 C=C(C)CCOCCNCCCCC 34a_100000224656_100000730704 [0,0,0,0,0,0|4,0,0]=4 71 B13R0.54 C=C(C)CCOCCOCCCCC 34a_100011215259_100000730704 [0,0,0,0,0,0|4,0,0]=4 72 B13R0.54 C=C(C)CCOCCOCCCCC 7a_100011215259_100000730704 [0,0,0,0,0,0|4,0,0]=4 73 B13R0.54 C=C(C)CCSCCCCCCCO 62a_100000730704_100000760002 [0,0,0,0,0,0|4,0,0]=4 74 B13R0.54 C=C(C)CCSCCCCCCCO 62a_100000760002_100000730704 [0,0,0,0,0,0|4,0,0]=4 75 B13R0.54 C=C(C)CCSCCCCCCOC 62a_100000730704_100011998445 [0,0,0,0,0,0|4,0,0]=4 76 B13R0.54 C=C(C)CCSCCCCCCOC 62a_100011998445_100000730704 [0,0,0,0,0,0|4,0,0]=4 77 B13R0.54 C=C(C)CNCCCCCCCCC 2230a_100000212291_100000748629 [0,0,0,0,0,0|3,0,0]=3 78 B13R0.54 C=C(C)CNCCCCCCCCC 34a_100000212291_100000748629 [0,0,0,0,0,0|3,0,0]=3 79 B13R0.54 C=C(C)CNCCCCCCCCO 2230a_102515433106_100000748629 [0,0,0,0,0,0|4,0,0]=4 80 B13R0.54 C=C(C)CNCCCCCCCCO 34a_102515433106_100000748629 [0,0,0,0,0,0|4,0,0]=4 81 B13R0.54 C=C(C)COCCCCCCCCBr 34a_100009813846_100000748629 [0,0,0,0,0,0|4,0,0]=4 82 B13R0.54 C=C(C)COCCCCCCCCBr 7a_100009813846_100000748629 [0,0,0,0,0,0|4,0,0]=4 83 B13R0.54 C=C(C)COCCCCCCCCC 34a_100000210245_100011214924 [0,0,0,0,0,0|3,0,0]=3 84 B13R0.54 C=C(C)COCCCCCCCCC 34a_100000210712_100000748629 [0,0,0,0,0,0|3,0,0]=3 85 B13R0.54 C=C(C)COCCCCCCCCC 7a_100000210712_100000748629 [0,0,0,0,0,0|3,0,0]=3 86 B13R0.54 C=C(C)COCCCCCCCCCl 34a_100000033203_100000748629 [0,0,0,0,0,0|4,0,0]=4 87 B13R0.54 C=C(C)COCCCCCCCCCl 7a_100000033203_100000748629 [0,0,0,0,0,0|4,0,0]=4 88 B13R0.54 C=C(C)COCCCCCCCCN 34a_102515433106_100000748629 [0,0,0,0,0,0|4,0,0]=4 89 B13R0.54 C=C(C)COCCCCCCCCO 34a_100000210245_100000033203 [0,0,0,0,0,0|4,0,0]=4 90 B13R0.54 C=C(C)COCCCCNCCCC 34a_200011216965_100000748629 [0,0,0,0,0,0|4,0,0]=4 91 B13R0.54 C=C(C)COCCCCOCCCC 34a_200000760531_100000748629 [0,0,0,0,0,0|4,0,0]=4 92 B13R0.54 C=C(C)COCCCCOCCCC 7a_200000760531_100000748629 [0,0,0,0,0,0|4,0,0]=4 93 B13R0.54 C=C(C)COCCOCCCCCC 34a_100000691444_100000748629 [0,0,0,0,0,0|4,0,0]=4 94 B13R0.54 C=C(C)COCCOCCCCCC 7a_100000691444_100000748629 [0,0,0,0,0,0|4,0,0]=4 95 B13R0.54 C=C(C)CSCCCCCCCCO 62a_100000033203_100000211660 [0,0,0,0,0,0|4,0,0]=4 96 B13R0.54 C=C(C)CSCCCCCCCCO 62a_100000748629_100000033203 [0,0,0,0,0,0|4,0,0]=4 97 B13R0.54 C=C(F)CNCCCCCCCCC 2230a_100000212291_100009893438 [0,0,0,0,0,0|2,1,0]=3 98 B13R0.54 C=C(F)CNCCCCCCCCC 34a_100000212291_100009893438 [0,0,0,0,0,0|2,1,0]=3 99 B13R0.54 C=C(F)CNCCCCCCCCO 2230a_102515433106_100009893438 [0,0,0,0,0,0|3,1,0]=4 100 B13R0.54 C=C(F)CNCCCCCCCCO 34a_102515433106_100009893438 [0,0,0,0,0,0|3,1,0]=4 101 B13R0.54 C=C(F)COCCCCCCCCBr 34a_100009813846_100009893438 [0,0,0,0,0,0|3,1,0]=4 102 B13R0.54 C=C(F)COCCCCCCCCBr 7a_100009813846_100000042424 [0,0,0,0,0,0|3,1,0]=4 103 B13R0.54 C=C(F)COCCCCCCCCC 34a_100000210712_100009893438 [0,0,0,0,0,0|2,1,0]=3 104 B13R0.54 C=C(F)COCCCCCCCCC 34a_200010262243_100011214924 [0,0,0,0,0,0|2,1,0]=3 105 B13R0.54 C=C(F)COCCCCCCCCC 7a_100000210712_100000042424 [0,0,0,0,0,0|2,1,0]=3 106 B13R0.54 C=C(F)COCCCCCCCCCl 34a_100000033203_100009893438 [0,0,0,0,0,0|3,1,0]=4 107 B13R0.54 C=C(F)COCCCCCCCCCl 7a_100000033203_100000042424 [0,0,0,0,0,0|3,1,0]=4 108 B13R0.54 C=C(F)COCCCCCCCCN 34a_102515433106_100009893438 [0,0,0,0,0,0|3,1,0]=4 109 B13R0.54 C=C(F)COCCCCCCCCO 34a_200010262243_100000033203 [0,0,0,0,0,0|3,1,0]=4 110 B13R0.54 C=C(F)COCCCCNCCCC 34a_200011216965_100009893438 [0,0,0,0,0,0|3,1,0]=4 111 B13R0.54 C=C(F)COCCCCOCCCC 34a_200000760531_100009893438 [0,0,0,0,0,0|3,1,0]=4 112 B13R0.54 C=C(F)COCCCCOCCCC 7a_200000760531_100000042424 [0,0,0,0,0,0|3,1,0]=4 113 B13R0.54 C=C(F)COCCOCCCCCC 34a_100000691444_100009893438 [0,0,0,0,0,0|3,1,0]=4 114 B13R0.54 C=C(F)COCCOCCCCCC 7a_100000691444_100000042424 [0,0,0,0,0,0|3,1,0]=4 115 B13R0.54 C=C(F)CSCCCCCCCCC 62a_100000042424_100000210670 [0,0,0,0,0,0|2,1,0]=3 116 B13R0.54 C=C(F)CSCCCCCCCCO 62a_100000033203_100000042424 [0,0,0,0,0,0|3,1,0]=4 117 B13R0.54 C=C(F)CSCCCCCCCCO 62a_100000042424_100000033203 [0,0,0,0,0,0|3,1,0]=4 118 B13R0.54 C=CCCCCCCCCCC(=O)C 1458a_100000070787_100009814027 [0,0,0,0,0,0|1,0,2]=3 119 B13R0.54 C=CCCCCCCCNCC(=O)N 2230a_100000711301_100012355270 [0,0,0,0,0,0|2,0,2]=4 120 B13R0.54 C=CCCCCCCCNCC(=O)O 269956a_100016091260_100012355270 [0,0,0,0,0,0|2,0,2]=4 121 B13R0.54 C=CCCCCCCCOCC(=O)C 34a_100000211253_100012355270 [0,0,0,0,0,0|2,0,2]=4 122 B13R0.54 C=CCCCCCCCOCC(=O)N 34a_100000730831_100000187820 [0,0,0,0,0,0|2,0,2]=4 123 B13R0.54 C=CCCCCCCCOCC(=O)N 7a_100000730831_100000187820 [0,0,0,0,0,0|2,0,2]=4 124 B13R0.54 C=CCCCCCCCOCC(=O)[O-] 34a_100000730831_100020667443 [0,0,0,0,0,0|2,0,2]=4 125 B13R0.54 C=CCCCCCCCSCC(=O)N 62a_100000747473_100012355270 [0,0,0,0,0,0|2,0,2]=4 126 B13R0.54 C=CCCCCCCCSCC(=O)N 62a_100012355270_100000747473 [0,0,0,0,0,0|2,0,2]=4 127 B13R0.54 C=CCCCCCCCSCC(=O)[O-] 62a_100012355270_100020667443 [0,0,0,0,0,0|2,0,2]=4 128 B13R0.54 C=CCCCCCCCSCC(=O)[O-] 62a_100020667443_100012355270 [0,0,0,0,0,0|2,0,2]=4 129 B13R0.54 C=CCCCCCCOCCC(=O)C 34a_100000759926_100011215473 [0,0,0,0,0,0|2,0,2]=4 130 B13R0.54 C=CCCCCCCOCCC(=O)C 7a_100000759926_100011215473 [0,0,0,0,0,0|2,0,2]=4 131 B13R0.54 C=CCCCCCCOCCC(=O)C 7a_200011216477_100000053229 [0,0,0,0,0,0|2,0,2]=4 132 B13R0.54 C=CCCCCCCOCCC(=O)N 34a_100000757172_100011215473 [0,0,0,0,0,0|2,0,2]=4 133 B13R0.54 C=CCCCCCCOCCC(=O)N 34a_200011216477_100000731001 [0,0,0,0,0,0|2,0,2]=4 134 B13R0.54 C=CCCCCCCOCCC(=O)N 7a_100000757172_100011215473 [0,0,0,0,0,0|2,0,2]=4 135 B13R0.54 C=CCCCCCCOCCC(=O)N 7a_200011216477_100000744528 [0,0,0,0,0,0|2,0,2]=4 136 B13R0.54 C=CCCCCCCSCCC(=O)C 62a_100000053229_100011215473 [0,0,0,0,0,0|2,0,2]=4 137 B13R0.54 C=CCCCCCCSCCC(=O)C 62a_100011215473_100000053229 [0,0,0,0,0,0|2,0,2]=4 138 B13R0.54 C=CCCCCCCSCCC(=O)N 62a_100000744528_100011215473 [0,0,0,0,0,0|2,0,2]=4 139 B13R0.54 C=CCCCCCCSCCC(=O)N 62a_100011215473_100000744528 [0,0,0,0,0,0|2,0,2]=4 140 B13R0.54 C=CCCCCCNCCCC(=O)N 34a_100000739312_100000700193 [0,0,0,0,0,0|2,0,2]=4 141 B13R0.54 C=CCCCCCOCCCC(=O)C 34a_100000759063_100000700193 [0,0,0,0,0,0|2,0,2]=4 142 B13R0.54 C=CCCCCCOCCCC(=O)C 34a_100011216702_100000685027 [0,0,0,0,0,0|2,0,2]=4 143 B13R0.54 C=CCCCCCOCCCC(=O)C 7a_100000759063_100000700193 [0,0,0,0,0,0|2,0,2]=4 144 B13R0.54 C=CCCCCCOCCCC(=O)C 7a_100011216702_100011215641 [0,0,0,0,0,0|2,0,2]=4 145 B13R0.54 C=CCCCCCOCCCC(=O)N 34a_100011216702_100102525003 [0,0,0,0,0,0|2,0,2]=4 146 B13R0.54 C=CCCCCCOCCCC(=O)N 7a_100011216702_100102525003 [0,0,0,0,0,0|2,0,2]=4 147 B13R0.54 C=CCCCCCSCCCC(=O)C 62a_100000700193_100011215641 [0,0,0,0,0,0|2,0,2]=4 148 B13R0.54 C=CCCCCCSCCCC(=O)C 62a_100011215641_100000700193 [0,0,0,0,0,0|2,0,2]=4 149 B13R0.54 C=CCCCCCSCCCC(=O)N 62a_100000700193_100102525003 [0,0,0,0,0,0|2,0,2]=4 150 B13R0.54 C=CCCCCCSCCCC(=O)N 62a_100102525003_100000700193 [0,0,0,0,0,0|2,0,2]=4 151 B13R0.54 C=CCCCCNCCCCC(=O)C 34a_100000703577_100009817362 [0,0,0,0,0,0|2,0,2]=4 152 B13R0.54 C=CCCCCNCCCCC(=O)N 34a_100000696515_100011215482 [0,0,0,0,0,0|2,0,2]=4 153 B13R0.54 C=CCCCCOCCCCC(=O)C 34a_100000766645_100009817362 [0,0,0,0,0,0|2,0,2]=4 154 B13R0.54 C=CCCCCOCCCCC(=O)C 7a_100000766645_100000735457 [0,0,0,0,0,0|2,0,2]=4 155 B13R0.54 C=CCCCCOCCCCC(=O)N 34a_100012022536_100011215482 [0,0,0,0,0,0|2,0,2]=4 156 B13R0.54 C=CCCCCOCCCCC(=O)N 7a_100012022536_100011215482 [0,0,0,0,0,0|2,0,2]=4 157 B13R0.54 C=CCCCCSCCCCC(=O)C 62a_100000735457_100011215482 [0,0,0,0,0,0|2,0,2]=4 158 B13R0.54 C=CCCCCSCCCCC(=O)C 62a_100011215482_100000735457 [0,0,0,0,0,0|2,0,2]=4 159 B13R0.54 C=CCCCNCCCCCC(=O)N 2230a_100000700776_100009817443 [0,0,0,0,0,0|2,0,2]=4 160 B13R0.54 C=CCCCNCCCCCC(=O)N 34a_100000700776_100009817443 [0,0,0,0,0,0|2,0,2]=4 161 B13R0.54 C=CCCCOCCCCCC(=O)N 34a_100000123541_100000757094 [0,0,0,0,0,0|2,0,2]=4 162 B13R0.54 C=CCCCOCCCCCC(=O)N 34a_100000758997_100009817443 [0,0,0,0,0,0|2,0,2]=4 163 B13R0.54 C=CCCCOCCCCCC(=O)N 7a_100000123541_100000757094 [0,0,0,0,0,0|2,0,2]=4 164 B13R0.54 C=CCCCOCCCCCC(=O)N 7a_100000758997_100009817443 [0,0,0,0,0,0|2,0,2]=4 165 B13R0.54 C=CCCCOCCCCCC(=O)[O-] 7a_100102619762_100000757094 [0,0,0,0,0,0|2,0,2]=4 166 B13R0.54 C=CCCCSCCCCCC(=O)N 62a_100009817443_100000757094 [0,0,0,0,0,0|2,0,2]=4 167 B13R0.54 C=CCCCSCCCCCC(=O)N 62a_100011713584_100009817443 [0,0,0,0,0,0|2,0,2]=4 168 B13R0.54 CC#CCCOCCCCCC(=O)N 34a_100000750427_100009817443 [0,0,0,0,0,0|2,0,2]=4 169 B13R0.54 CC(=O)CCCCCCCCCCO 1458a_100000070787_100009813290 [0,0,0,0,0,0|2,0,0]=2 170 B13R0.54 CC(=O)CCCCNCCCCCO 34a_100000762737_100009817362 [0,0,0,0,0,0|3,0,0]=3 171 B13R0.54 CC(=O)CCCCNCCOCCO 34a_100000211614_100009817362 [0,0,0,0,0,0|4,0,0]=4 172 B13R0.54 CC(=O)CCCCOCCCCCBr 34a_100000746331_100009817362 [0,0,0,0,0,0|3,0,0]=3 173 B13R0.54 CC(=O)CCCCOCCCCCBr 7a_100000746331_100000735457 [0,0,0,0,0,0|3,0,0]=3 174 B13R0.54 CC(=O)CCCCOCCCCCCl 34a_100000746330_100009817362 [0,0,0,0,0,0|3,0,0]=3 175 B13R0.54 CC(=O)CCCCOCCCCCCl 7a_100000746330_100000735457 [0,0,0,0,0,0|3,0,0]=3 176 B13R0.54 CC(=O)CCCCOCCCCCI 34a_200012148887_100009817362 [0,0,0,0,0,0|3,0,0]=3 177 B13R0.54 CC(=O)CCCCOCCCCCI 7a_200012148887_100000735457 [0,0,0,0,0,0|3,0,0]=3 178 B13R0.54 CC(=O)CCCCOCCCCCN 34a_100000762737_100009817362 [0,0,0,0,0,0|3,0,0]=3 179 B13R0.54 CC(=O)CCCCOCCOCCBr 34a_100000692535_100009817362 [0,0,0,0,0,0|4,0,0]=4 180 B13R0.54 CC(=O)CCCCOCCOCCBr 7a_100000692535_100000735457 [0,0,0,0,0,0|4,0,0]=4 181 B13R0.54 CC(=O)CCCCOCCOCCCl 34a_100011215305_100009817362 [0,0,0,0,0,0|4,0,0]=4 182 B13R0.54 CC(=O)CCCCOCCOCCCl 7a_100011215305_100000735457 [0,0,0,0,0,0|4,0,0]=4 183 B13R0.54 CC(=O)CCCCOCCOCCF 34a_200015357709_100009817362 [0,0,0,0,0,0|4,0,0]=4 184 B13R0.54 CC(=O)CCCCOCCOCCF 7a_200015357709_100000735457 [0,0,0,0,0,0|4,0,0]=4 185 B13R0.54 CC(=O)CCCCOCCOCCI 34a_100012149058_100009817362 [0,0,0,0,0,0|4,0,0]=4 186 B13R0.54 CC(=O)CCCCOCCOCCI 7a_100012149058_100000735457 [0,0,0,0,0,0|4,0,0]=4 187 B13R0.54 CC(=O)CCCCOCCOCCN 34a_100000211614_100009817362 [0,0,0,0,0,0|4,0,0]=4 188 B13R0.54 CC(=O)CCCCSCCCCC#N 62a_100000735457_100000211819 [0,0,0,0,0,0|3,0,1]=4 189 B13R0.54 CC(=O)CCCCSCCCCC#N 62a_100011219923_100000735457 [0,0,0,0,0,0|3,0,1]=4 190 B13R0.54 CC(=O)CCCCSCCCCC=O 62a_100000139335_100000735457 [0,0,0,0,0,0|3,0,1]=4 191 B13R0.54 CC(=O)CCCCSCCCCC=O 62a_100000735457_100000139335 [0,0,0,0,0,0|3,0,1]=4 192 B13R0.54 CC(=O)CCCCSCCCCCF 62a_100000729378_100000735457 [0,0,0,0,0,0|3,0,0]=3 193 B13R0.54 CC(=O)CCCCSCCCCCF 62a_100000735457_100000729378 [0,0,0,0,0,0|3,0,0]=3 194 B13R0.54 CC(=O)CCCCSCCCCCO 62a_100000735457_100000746330 [0,0,0,0,0,0|3,0,0]=3 195 B13R0.54 CC(=O)CCCCSCCCCCO 62a_100000746330_100000735457 [0,0,0,0,0,0|3,0,0]=3 196 B13R0.54 CC(=O)CCCCSCCOCCO 62a_100000735457_100011215305 [0,0,0,0,0,0|4,0,0]=4 197 B13R0.54 CC(=O)CCCCSCCOCCO 62a_100011215305_100000735457 [0,0,0,0,0,0|4,0,0]=4 198 B13R0.54 CC(=O)CCCNCCCCCCO 34a_100000686447_100000685027 [0,0,0,0,0,0|3,0,0]=3 199 B13R0.54 CC(=O)CCCOCCCCCC#N 7a_100000759063_100009813376 [0,0,0,0,0,0|3,0,1]=4 200 B13R0.54 CC(=O)CCCOCCCCCC=O 7a_100000759063_100000139337 [0,0,0,0,0,0|3,0,1]=4 201 B13R0.54 CC(=O)CCCOCCCCCCBr 34a_100011215345_100000685027 [0,0,0,0,0,0|3,0,0]=3 202 B13R0.54 CC(=O)CCCOCCCCCCBr 7a_100011215345_100011215641 [0,0,0,0,0,0|3,0,0]=3 203 B13R0.54 CC(=O)CCCOCCCCCCCl 34a_100000766143_100000685027 [0,0,0,0,0,0|3,0,0]=3 204 B13R0.54 CC(=O)CCCOCCCCCCCl 7a_100000766143_100011215641 [0,0,0,0,0,0|3,0,0]=3 205 B13R0.54 CC(=O)CCCOCCCCCCF 34a_100000732779_100000685027 [0,0,0,0,0,0|3,0,0]=3 206 B13R0.54 CC(=O)CCCOCCCCCCF 34a_100000759063_100015922095 [0,0,0,0,0,0|3,0,0]=3 207 B13R0.54 CC(=O)CCCOCCCCCCF 7a_100000732779_100011215641 [0,0,0,0,0,0|3,0,0]=3 208 B13R0.54 CC(=O)CCCOCCCCCCF 7a_100000759063_100015922095 [0,0,0,0,0,0|3,0,0]=3 209 B13R0.54 CC(=O)CCCOCCCCCCN 34a_100000686447_100000685027 [0,0,0,0,0,0|3,0,0]=3 210 B13R0.54 CC(=O)CCCOCCCCCCO 34a_100000759063_100000766143 [0,0,0,0,0,0|3,0,0]=3 211 B13R0.54 CC(=O)CCCOCCCCCCO 7a_100000759063_100000766143 [0,0,0,0,0,0|3,0,0]=3 212 B13R0.54 CC(=O)CCCSCCCCCC#N 62a_100009813376_100011215641 [0,0,0,0,0,0|3,0,1]=4 213 B13R0.54 CC(=O)CCCSCCCCCC#N 62a_100011215641_100009813376 [0,0,0,0,0,0|3,0,1]=4 214 B13R0.54 CC(=O)CCCSCCCCCC=O 62a_100000139337_100011215641 [0,0,0,0,0,0|3,0,1]=4 215 B13R0.54 CC(=O)CCCSCCCCCC=O 62a_100011215641_100000139337 [0,0,0,0,0,0|3,0,1]=4 216 B13R0.54 CC(=O)CCCSCCCCCCF 62a_100011215641_100015922095 [0,0,0,0,0,0|3,0,0]=3 217 B13R0.54 CC(=O)CCCSCCCCCCF 62a_100015922095_100011215641 [0,0,0,0,0,0|3,0,0]=3 218 B13R0.54 CC(=O)CCCSCCCCCCO 62a_100000766143_100011215641 [0,0,0,0,0,0|3,0,0]=3 219 B13R0.54 CC(=O)CCCSCCCCCCO 62a_100011215641_100000766143 [0,0,0,0,0,0|3,0,0]=3 220 B13R0.54 CC(=O)CCOCCCCCCC#N 7a_100000759926_100009813337 [0,0,0,0,0,0|3,0,1]=4 221 B13R0.54 CC(=O)CCOCCCCCCCBr 7a_100000760002_100000053229 [0,0,0,0,0,0|3,0,0]=3 222 B13R0.54 CC(=O)CCOCCCCCCCO 34a_100000759926_100000760002 [0,0,0,0,0,0|3,0,0]=3 223 B13R0.54 CC(=O)CCOCCCCCCCO 7a_100000759926_100000760002 [0,0,0,0,0,0|3,0,0]=3 224 B13R0.54 CC(=O)CCSCCCCCCC#N 62a_100000053229_100009813337 [0,0,0,0,0,0|3,0,1]=4 225 B13R0.54 CC(=O)CCSCCCCCCC#N 62a_100009813337_100000053229 [0,0,0,0,0,0|3,0,1]=4 226 B13R0.54 CC(=O)CCSCCCCCCCO 62a_100000053229_100000760002 [0,0,0,0,0,0|3,0,0]=3 227 B13R0.54 CC(=O)CCSCCCCCCCO 62a_100000760002_100000053229 [0,0,0,0,0,0|3,0,0]=3 228 B13R0.54 CC(=O)COCCCCCCCCO 34a_100000211253_100000033203 [0,0,0,0,0,0|3,0,0]=3 229 B13R0.54 CC(=O)NCCCCCCCCCO 240690a_100000078944_100015343762 [0,0,0,0,0,0|3,0,0]=3 230 B13R0.54 CC(=O)NCCCCCCNCCF 2230a_200011996284_100011217306 [0,0,0,0,0,0|4,0,0]=4 231 B13R0.54 CC(=O)NCCCCCCNCCF 34a_200011996284_100011217306 [0,0,0,0,0,0|4,0,0]=4 232 B13R0.54 CC(=O)NCCCCCCNCCO 2230a_200011996284_100000211926 [0,0,0,0,0,0|4,0,0]=4 233 B13R0.54 CC(=O)NCCCCCCNCCO 34a_200011996284_100000211926 [0,0,0,0,0,0|4,0,0]=4 234 B13R0.54 CC(=O)NCCCCCNCCCF 2230a_200012022750_100011934791 [0,0,0,0,0,0|4,0,0]=4 235 B13R0.54 CC(=O)NCCCCCNCCCF 34a_200012022750_100011934791 [0,0,0,0,0,0|4,0,0]=4 236 B13R0.54 CC(=O)NCCCCCNCCCO 2230a_200012022750_100000230001 [0,0,0,0,0,0|4,0,0]=4 237 B13R0.54 CC(=O)NCCCCCNCCCO 34a_200012022750_100000230001 [0,0,0,0,0,0|4,0,0]=4 238 B13R0.54 CC(=O)NCCCCNCCCCF 2230a_200011368371_100000729493 [0,0,0,0,0,0|4,0,0]=4 239 B13R0.54 CC(=O)NCCCCNCCCCF 34a_200011368371_100000729493 [0,0,0,0,0,0|4,0,0]=4 240 B13R0.54 CC(=O)NCCCCNCCCCO 2230a_200011368371_100000210776 [0,0,0,0,0,0|4,0,0]=4 241 B13R0.54 CC(=O)NCCCCNCCCCO 34a_200011368371_100011216708 [0,0,0,0,0,0|4,0,0]=4 242 B13R0.54 CC(=O)NCCCNCCCCCF 34a_100000736810_100000729378 [0,0,0,0,0,0|4,0,0]=4 243 B13R0.54 CC(=O)NCCCNCCCCCO 34a_100000736810_100000746330 [0,0,0,0,0,0|4,0,0]=4 244 B13R0.54 CC(=O)NCCCOCCCCCF 34a_100000752032_100000729378 [0,0,0,0,0,0|4,0,0]=4 245 B13R0.54 CC(=O)NCCCOCCCCCO 34a_100000752032_100000746330 [0,0,0,0,0,0|4,0,0]=4 246 B13R0.54 CC(=O)NCCNCCCCCCF 2230a_100000209853_100015922095 [0,0,0,0,0,0|4,0,0]=4 247 B13R0.54 CC(=O)NCCNCCCCCCO 2230a_100000209853_100000766143 [0,0,0,0,0,0|4,0,0]=4 248 B13R0.54 CC(=O)NCCNCCCCCCO 2230a_100000686447_100000189650 [0,0,0,0,0,0|4,0,0]=4 249 B13R0.54 CC(=O)NCCOCCCCCCBr 7a_100011215345_100000189650 [0,0,0,0,0,0|4,0,0]=4 250 B13R0.54 CC(=O)NCCOCCCCCCCl 7a_100000766143_100000189650 [0,0,0,0,0,0|4,0,0]=4 251 B13R0.54 CC(=O)NCCOCCCCCCF 34a_100000158858_100015922095 [0,0,0,0,0,0|4,0,0]=4 252 B13R0.54 CC(=O)NCCOCCCCCCF 7a_100000732779_100000189650 [0,0,0,0,0,0|4,0,0]=4 253 B13R0.54 CC(=O)NCCOCCCCCCO 34a_100000158858_100000766143 [0,0,0,0,0,0|4,0,0]=4 254 B13R0.54 CC(=O)NCCSCCCCCCF 62a_100000189650_100015922095 [0,0,0,0,0,0|4,0,0]=4 255 B13R0.54 CC(=O)NCCSCCCCCCF 62a_100015922095_100000189650 [0,0,0,0,0,0|4,0,0]=4 256 B13R0.54 CC(=O)NCCSCCCCCCO 62a_100000189650_100000766143 [0,0,0,0,0,0|4,0,0]=4 257 B13R0.54 CC(=O)NCCSCCCCCCO 62a_100000766143_100000189650 [0,0,0,0,0,0|4,0,0]=4 258 B13R0.54 CC(=O)OCCCCCNCCCF 2230a_100015189416_100009813381 [0,0,0,0,0,0|4,0,0]=4 259 B13R0.54 CC(=O)OCCCCCNCCCF 34a_100015189416_100000033007 [0,0,0,0,0,0|4,0,0]=4 260 B13R0.54 CC(=O)OCCCCCOCCCBr 34a_100011217188_100000033007 [0,0,0,0,0,0|4,0,0]=4 261 B13R0.54 CC(=O)OCCCCCOCCCCl 34a_100000230001_100000033007 [0,0,0,0,0,0|4,0,0]=4 262 B13R0.54 CC(=O)OCCCCCOCCCF 34a_100000759539_100000033007 [0,0,0,0,0,0|4,0,0]=4 263 B13R0.54 CC(=O)OCCCCCOCCCN 34a_100000182051_100000033007 [0,0,0,0,0,0|4,0,0]=4 264 B13R0.54 CC(=O)OCCCCCSCCCF 62a_100000033007_100011934791 [0,0,0,0,0,0|4,0,0]=4 265 B13R0.54 CC(=O)OCCCCCSCCCF 62a_100011934791_100000033007 [0,0,0,0,0,0|4,0,0]=4 266 B13R0.54 CC(=O)OCCCCCSCCCO 62a_100000033007_100011215043 [0,0,0,0,0,0|4,0,0]=4 267 B13R0.54 CC(=O)OCCCCCSCCCO 62a_100011215043_100000033007 [0,0,0,0,0,0|4,0,0]=4 268 B13R0.54 CC(=O)OCCCCNCCCCO 34a_100000750430_100000033659 [0,0,0,0,0,0|4,0,0]=4 269 B13R0.54 CC(=O)OCCCCOCCCCBr 34a_100011216708_100000033659 [0,0,0,0,0,0|4,0,0]=4 270 B13R0.54 CC(=O)OCCCCOCCCCCl 34a_100000210776_100000033659 [0,0,0,0,0,0|4,0,0]=4 271 B13R0.54 CC(=O)OCCCCOCCCCCl 7a_100000210776_100000033659 [0,0,0,0,0,0|4,0,0]=4 272 B13R0.54 CC(=O)OCCCCOCCCCF 34a_100000073216_100000729493 [0,0,0,0,0,0|4,0,0]=4 273 B13R0.54 CC(=O)OCCCCOCCCCF 34a_100011995726_100000033659 [0,0,0,0,0,0|4,0,0]=4 274 B13R0.54 CC(=O)OCCCCOCCCCF 7a_100000073216_100000729493 [0,0,0,0,0,0|4,0,0]=4 275 B13R0.54 CC(=O)OCCCCOCCCCF 7a_100011995726_100000033659 [0,0,0,0,0,0|4,0,0]=4 276 B13R0.54 CC(=O)OCCCCOCCCCI 34a_200012148704_100000033659 [0,0,0,0,0,0|4,0,0]=4 277 B13R0.54 CC(=O)OCCCCOCCCCN 34a_100000750430_100000033659 [0,0,0,0,0,0|4,0,0]=4 278 B13R0.54 CC(=O)OCCCCOCCCCO 34a_100000073216_100011216708 [0,0,0,0,0,0|4,0,0]=4 279 B13R0.54 CC(=O)OCCCCOCCCCO 7a_100000073216_100000210776 [0,0,0,0,0,0|4,0,0]=4 280 B13R0.54 CC(=O)OCCCCSCCCCF 62a_100000033659_100000729493 [0,0,0,0,0,0|4,0,0]=4 281 B13R0.54 CC(=O)OCCCCSCCCCF 62a_100000729493_100000033659 [0,0,0,0,0,0|4,0,0]=4 282 B13R0.54 CC(=O)OCCCCSCCCCO 62a_100000033659_100000210776 [0,0,0,0,0,0|4,0,0]=4 283 B13R0.54 CC(=O)OCCCCSCCCCO 62a_100000210776_100000033659 [0,0,0,0,0,0|4,0,0]=4 284 B13R0.54 CC(=O)OCCCNCCCCCO 34a_100000762737_100000042594 [0,0,0,0,0,0|4,0,0]=4 285 B13R0.54 CC(=O)OCCCOCCCCCBr 34a_100000746331_100000042594 [0,0,0,0,0,0|4,0,0]=4 286 B13R0.54 CC(=O)OCCCOCCCCCBr 7a_100000746331_100000042594 [0,0,0,0,0,0|4,0,0]=4 287 B13R0.54 CC(=O)OCCCOCCCCCCl 34a_100000746330_100000042594 [0,0,0,0,0,0|4,0,0]=4 288 B13R0.54 CC(=O)OCCCOCCCCCCl 7a_100000746330_100000042594 [0,0,0,0,0,0|4,0,0]=4 289 B13R0.54 CC(=O)OCCCOCCCCCI 34a_200012148887_100000042594 [0,0,0,0,0,0|4,0,0]=4 290 B13R0.54 CC(=O)OCCCOCCCCCI 7a_200012148887_100000042594 [0,0,0,0,0,0|4,0,0]=4 291 B13R0.54 CC(=O)OCCCOCCCCCN 34a_100000762737_100000042594 [0,0,0,0,0,0|4,0,0]=4 292 B13R0.54 CC(=O)OCCCSCCCCCF 62a_100000042594_100000729378 [0,0,0,0,0,0|4,0,0]=4 293 B13R0.54 CC(=O)OCCCSCCCCCF 62a_100000729378_100000042594 [0,0,0,0,0,0|4,0,0]=4 294 B13R0.54 CC(=O)OCCCSCCCCCO 62a_100000042594_100000746330 [0,0,0,0,0,0|4,0,0]=4 295 B13R0.54 CC(=O)OCCCSCCCCCO 62a_100000746330_100000042594 [0,0,0,0,0,0|4,0,0]=4 296 B13R0.54 CC(=O)OCCNCCCCCCO 34a_100000686447_100009814007 [0,0,0,0,0,0|4,0,0]=4 297 B13R0.54 CC(=O)OCCOCCCCCCBr 34a_100011215345_100009814007 [0,0,0,0,0,0|4,0,0]=4 298 B13R0.54 CC(=O)OCCOCCCCCCBr 7a_100011215345_100009814007 [0,0,0,0,0,0|4,0,0]=4 299 B13R0.54 CC(=O)OCCOCCCCCCCl 34a_100000766143_100009814007 [0,0,0,0,0,0|4,0,0]=4 300 B13R0.54 CC(=O)OCCOCCCCCCCl 7a_100000766143_100009814007 [0,0,0,0,0,0|4,0,0]=4 301 B13R0.54 CC(=O)OCCOCCCCCCF 34a_100000732779_100009814007 [0,0,0,0,0,0|4,0,0]=4 302 B13R0.54 CC(=O)OCCOCCCCCCF 7a_100000732779_100009814007 [0,0,0,0,0,0|4,0,0]=4 303 B13R0.54 CC(=O)OCCOCCCCCCN 34a_100000686447_100009814007 [0,0,0,0,0,0|4,0,0]=4 304 B13R0.54 CC(=O)OCCSCCCCCCF 62a_100009814007_100015922095 [0,0,0,0,0,0|4,0,0]=4 305 B13R0.54 CC(=O)OCCSCCCCCCF 62a_100015922095_100009814007 [0,0,0,0,0,0|4,0,0]=4 306 B13R0.54 CC(=O)OCCSCCCCCCO 62a_100000766143_100009814007 [0,0,0,0,0,0|4,0,0]=4 307 B13R0.54 CC(=O)OCCSCCCCCCO 62a_100009814007_100000766143 [0,0,0,0,0,0|4,0,0]=4 308 B13R0.54 CC(=O)OCNCCCCCCCO 34a_100011996573_100009813279 [0,0,0,0,0,0|4,0,0]=4 309 B13R0.54 CC(=O)OCOCCCCCCCBr 34a_100000760002_100009813279 [0,0,0,0,0,0|4,0,0]=4 310 B13R0.54 CC(=O)OCOCCCCCCCN 34a_100011996573_100009813279 [0,0,0,0,0,0|4,0,0]=4 311 B13R0.54 CC(=O)OCSCCCCCCCO 62a_100000076356_100000760002 [0,0,0,0,0,0|4,0,0]=4 312 B13R0.54 CC(=O)OCSCCCCCCCO 62a_100000760002_100000076356 [0,0,0,0,0,0|4,0,0]=4 313 B13R0.54 CC(=O)SCCCCNCCCCO 2230a_100000750430_200010402107 [0,0,0,0,0,0|4,0,0]=4 314 B13R0.54 CC(=O)SCCCCNCCCCO 34a_100000750430_200010402107 [0,0,0,0,0,0|4,0,0]=4 315 B13R0.54 CC(=O)SCCCCOCCCCBr 34a_100011216708_200010402107 [0,0,0,0,0,0|4,0,0]=4 316 B13R0.54 CC(=O)SCCCCOCCCCCl 34a_100000210776_200010402107 [0,0,0,0,0,0|4,0,0]=4 317 B13R0.54 CC(=O)SCCCCOCCCCCl 7a_100000210776_200010402107 [0,0,0,0,0,0|4,0,0]=4 318 B13R0.54 CC(=O)SCCCCOCCCCF 34a_100011995726_200010402107 [0,0,0,0,0,0|4,0,0]=4 319 B13R0.54 CC(=O)SCCCCOCCCCF 7a_100011995726_200010402107 [0,0,0,0,0,0|4,0,0]=4 320 B13R0.54 CC(=O)SCCCCOCCCCI 34a_200012148704_200010402107 [0,0,0,0,0,0|4,0,0]=4 321 B13R0.54 CC(=O)SCCCCOCCCCN 34a_100000750430_200010402107 [0,0,0,0,0,0|4,0,0]=4 322 B13R0.54 CC(=O)SCCCCSCCCCF 62a_100000729493_200010402107 [0,0,0,0,0,0|4,0,0]=4 323 B13R0.54 CC(=O)SCCCCSCCCCF 62a_200010402107_100000729493 [0,0,0,0,0,0|4,0,0]=4 324 B13R0.54 CC(=O)SCCCCSCCCCO 62a_100000210776_200010402107 [0,0,0,0,0,0|4,0,0]=4 325 B13R0.54 CC(=O)SCCCCSCCCCO 62a_200010402107_100000210776 [0,0,0,0,0,0|4,0,0]=4 326 B13R0.54 CC(=O)SCCCNCCCCCO 2230a_100000762737_100000038929 [0,0,0,0,0,0|4,0,0]=4 327 B13R0.54 CC(=O)SCCCNCCCCCO 34a_100000762737_100000038929 [0,0,0,0,0,0|4,0,0]=4 328 B13R0.54 CC(=O)SCCCOCCCCCBr 34a_100000746331_100000038929 [0,0,0,0,0,0|4,0,0]=4 329 B13R0.54 CC(=O)SCCCOCCCCCBr 7a_100000746331_100000038929 [0,0,0,0,0,0|4,0,0]=4 330 B13R0.54 CC(=O)SCCCOCCCCCCl 34a_100000746330_100000038929 [0,0,0,0,0,0|4,0,0]=4 331 B13R0.54 CC(=O)SCCCOCCCCCCl 7a_100000746330_100000038929 [0,0,0,0,0,0|4,0,0]=4 332 B13R0.54 CC(=O)SCCCOCCCCCI 34a_200012148887_100000038929 [0,0,0,0,0,0|4,0,0]=4 333 B13R0.54 CC(=O)SCCCOCCCCCI 7a_200012148887_100000038929 [0,0,0,0,0,0|4,0,0]=4 334 B13R0.54 CC(=O)SCCCOCCCCCN 34a_100000762737_100000038929 [0,0,0,0,0,0|4,0,0]=4 335 B13R0.54 CC(=O)SCCCSCCCCCF 62a_100000038929_100000729378 [0,0,0,0,0,0|4,0,0]=4 336 B13R0.54 CC(=O)SCCCSCCCCCF 62a_100000729378_100000038929 [0,0,0,0,0,0|4,0,0]=4 337 B13R0.54 CC(=O)SCCCSCCCCCO 62a_100000038929_100000746330 [0,0,0,0,0,0|4,0,0]=4 338 B13R0.54 CC(=O)SCCCSCCCCCO 62a_100000746330_100000038929 [0,0,0,0,0,0|4,0,0]=4 339 B13R0.54 CC/C=C/CCCOCCCC(=O)C 34a_100016287902_100000685027 [0,0,0,0,0,0|2,0,2]=4 340 B13R0.54 CC/C=C/CCCOCCCC(=O)C 7a_100016287902_100011215641 [0,0,0,0,0,0|2,0,2]=4 341 B13R0.54 CC/C=C/CCCOCCCC(=O)N 34a_100016287902_100102525003 [0,0,0,0,0,0|2,0,2]=4 342 B13R0.54 CC/C=C/CCCOCCCC(=O)N 7a_100016287902_100102525003 [0,0,0,0,0,0|2,0,2]=4 343 B13R0.54 CC/C=C\CCCCCOCC(=O)N 34a_100016268722_100000187820 [0,0,0,0,0,0|2,0,2]=4 344 B13R0.54 CC/C=C\CCCCCOCC(=O)N 7a_100016268722_100000187820 [0,0,0,0,0,0|2,0,2]=4 345 B13R0.54 CC/C=C\CCCCCOCC(=O)[O-] 34a_100016268722_100020667443 [0,0,0,0,0,0|2,0,2]=4 346 B13R0.54 CC/C=C\CCCCOCCC(=O)C 7a_100016287862_100000053229 [0,0,0,0,0,0|2,0,2]=4 347 B13R0.54 CC/C=C\CCCCOCCC(=O)N 34a_100016287862_100000731001 [0,0,0,0,0,0|2,0,2]=4 348 B13R0.54 CC/C=C\CCCCOCCC(=O)N 7a_100016287862_100000744528 [0,0,0,0,0,0|2,0,2]=4 349 B13R0.54 CC/C=C\CCNCCCCC(=O)N 34a_100000696515_100015370543 [0,0,0,0,0,0|2,0,2]=4 350 B13R0.54 CC/C=C\CCOCCCCC(=O)C 34a_100016288707_100009817362 [0,0,0,0,0,0|2,0,2]=4 351 B13R0.54 CC/C=C\CCOCCCCC(=O)C 7a_100016288707_100000735457 [0,0,0,0,0,0|2,0,2]=4 352 B13R0.54 CC/C=C\CCOCCCCC(=O)N 34a_100012022536_100015370543 [0,0,0,0,0,0|2,0,2]=4 353 B13R0.54 CC/C=C\CCOCCCCC(=O)N 7a_100012022536_100015370543 [0,0,0,0,0,0|2,0,2]=4 354 B13R0.54 CC/C=C\CCSCCCCC(=O)C 62a_100000735457_100015370543 [0,0,0,0,0,0|2,0,2]=4 355 B13R0.54 CC/C=C\CCSCCCCC(=O)C 62a_100015370543_100000735457 [0,0,0,0,0,0|2,0,2]=4 356 B13R0.54 CC/C=C\COCCCCCC(=O)N 34a_100000123541_100103147603 [0,0,0,0,0,0|2,0,2]=4 357 B13R0.54 CC/C=C\COCCCCCC(=O)N 34a_100016268518_100009817443 [0,0,0,0,0,0|2,0,2]=4 358 B13R0.54 CC/C=C\COCCCCCC(=O)N 7a_100000123541_100103147603 [0,0,0,0,0,0|2,0,2]=4 359 B13R0.54 CC/C=C\COCCCCCC(=O)[O-] 7a_100102619762_100103147603 [0,0,0,0,0,0|2,0,2]=4 360 B13R0.54 CC/C=C\CSCCCCCC(=O)N 62a_100009817443_100103147603 [0,0,0,0,0,0|2,0,2]=4 361 B13R0.54 CC/C=C\CSCCCCCC(=O)N 62a_100103147603_100009817443 [0,0,0,0,0,0|2,0,2]=4 362 B13R0.54 CC=CCCCOCCCCC(=O)C 34a_100020645299_100009817362 [0,0,0,0,0,0|2,0,2]=4 363 B13R0.54 CCC#CCCOCCCCC(=O)C 34a_100000036655_100009817362 [0,0,0,0,0,0|2,0,2]=4 364 B13R0.54 CCC#CCCOCCCCC(=O)C 7a_100000036655_100000735457 [0,0,0,0,0,0|2,0,2]=4 365 B13R0.54 CCC#CCOCCCCCC(=O)N 34a_100000032950_100009817443 [0,0,0,0,0,0|2,0,2]=4 366 B13R0.54 CCC#CCOCCCCCC(=O)N 34a_100000123541_100009813939 [0,0,0,0,0,0|2,0,2]=4 367 B13R0.54 CCC#CCOCCCCCC(=O)N 7a_100000123541_100009813939 [0,0,0,0,0,0|2,0,2]=4 368 B13R0.54 CCC#CCOCCCCCC(=O)[O-] 7a_100102619762_100009813939 [0,0,0,0,0,0|2,0,2]=4 369 B13R0.54 CCC#CCSCCCCCC(=O)N 62a_100009813939_100009817443 [0,0,0,0,0,0|2,0,2]=4 370 B13R0.54 CCC#CCSCCCCCC(=O)N 62a_100009817443_100009813939 [0,0,0,0,0,0|2,0,2]=4 371 B13R0.54 CCC/C=C/COCCCCC(=O)C 34a_100016278788_100009817362 [0,0,0,0,0,0|2,0,2]=4 372 B13R0.54 CCC/C=C/COCCCCC(=O)C 7a_100016278788_100000735457 [0,0,0,0,0,0|2,0,2]=4 373 B13R0.54 CCCC#CCCOCCCC(=O)C 34a_100000042726_100000685027 [0,0,0,0,0,0|2,0,2]=4 374 B13R0.54 CCCC#CCCOCCCC(=O)C 7a_100000042726_100011215641 [0,0,0,0,0,0|2,0,2]=4 375 B13R0.54 CCCC#CCCOCCCC(=O)N 34a_100000042726_100102525003 [0,0,0,0,0,0|2,0,2]=4 376 B13R0.54 CCCC#CCCOCCCC(=O)N 7a_100000042726_100102525003 [0,0,0,0,0,0|2,0,2]=4 377 B13R0.54 CCCC#CCOCCCCC(=O)C 34a_100000034806_100009817362 [0,0,0,0,0,0|2,0,2]=4 378 B13R0.54 CCCC#CCOCCCCC(=O)C 7a_100000034806_100000735457 [0,0,0,0,0,0|2,0,2]=4 379 B13R0.54 CCCC/C=C/COCCCC(=O)C 34a_200016272032_100000685027 [0,0,0,0,0,0|2,0,2]=4 380 B13R0.54 CCCC/C=C/COCCCC(=O)C 7a_200016272032_100011215641 [0,0,0,0,0,0|2,0,2]=4 381 B13R0.54 CCCC/C=C/COCCCC(=O)N 34a_200016272032_100102525003 [0,0,0,0,0,0|2,0,2]=4 382 B13R0.54 CCCC/C=C/COCCCC(=O)N 7a_200016272032_100102525003 [0,0,0,0,0,0|2,0,2]=4 383 B13R0.54 CCCC/C=C\CCOCCC(=O)C 7a_200016286491_100000053229 [0,0,0,0,0,0|2,0,2]=4 384 B13R0.54 CCCC/C=C\CCOCCC(=O)N 34a_200016286491_100000731001 [0,0,0,0,0,0|2,0,2]=4 385 B13R0.54 CCCC/C=C\CCOCCC(=O)N 7a_200016286491_100000744528 [0,0,0,0,0,0|2,0,2]=4 386 B13R0.54 CCCCC#CCCCNCC(=O)N 2230a_100000711301_200000047210 [0,0,0,0,0,0|2,0,2]=4 387 B13R0.54 CCCCC#CCCCNCC(=O)O 269956a_100016091260_200000047210 [0,0,0,0,0,0|2,0,2]=4 388 B13R0.54 CCCCC#CCCCOCC(=O)C 34a_100000211253_200000047210 [0,0,0,0,0,0|2,0,2]=4 389 B13R0.54 CCCCC#CCCCSCC(=O)N 62a_100000747473_200000047210 [0,0,0,0,0,0|2,0,2]=4 390 B13R0.54 CCCCC#CCCCSCC(=O)N 62a_200000047210_100000747473 [0,0,0,0,0,0|2,0,2]=4 391 B13R0.54 CCCCC#CCCCSCC(=O)[O-] 62a_100020667443_200000047210 [0,0,0,0,0,0|2,0,2]=4 392 B13R0.54 CCCCC#CCCCSCC(=O)[O-] 62a_200000047210_100020667443 [0,0,0,0,0,0|2,0,2]=4 393 B13R0.54 CCCCC#CCCOCCC(=O)C 7a_100000037610_100000053229 [0,0,0,0,0,0|2,0,2]=4 394 B13R0.54 CCCCC#CCCOCCC(=O)N 34a_100000037610_100000731001 [0,0,0,0,0,0|2,0,2]=4 395 B13R0.54 CCCCC#CCCOCCC(=O)N 7a_100000037610_100000744528 [0,0,0,0,0,0|2,0,2]=4 396 B13R0.54 CCCCC#CCOCCCC(=O)C 34a_200000034558_100000685027 [0,0,0,0,0,0|2,0,2]=4 397 B13R0.54 CCCCC#CCOCCCC(=O)C 7a_200000034558_100011215641 [0,0,0,0,0,0|2,0,2]=4 398 B13R0.54 CCCCC#CCOCCCC(=O)N 34a_200000034558_100102525003 [0,0,0,0,0,0|2,0,2]=4 399 B13R0.54 CCCCC#CCOCCCC(=O)N 7a_200000034558_100102525003 [0,0,0,0,0,0|2,0,2]=4 400 B13R0.54 CCCCC/C=C/COCCC(=O)C 7a_100016258190_100000053229 [0,0,0,0,0,0|2,0,2]=4 401 B13R0.54 CCCCC/C=C/COCCC(=O)N 34a_100016258190_100000731001 [0,0,0,0,0,0|2,0,2]=4 402 B13R0.54 CCCCC/C=C/COCCC(=O)N 7a_100016258190_100000744528 [0,0,0,0,0,0|2,0,2]=4 403 B13R0.54 CCCCC/C=C\CCOCC(=O)N 34a_100016277358_100000187820 [0,0,0,0,0,0|2,0,2]=4 404 B13R0.54 CCCCC/C=C\CCOCC(=O)N 7a_100016277358_100000187820 [0,0,0,0,0,0|2,0,2]=4 405 B13R0.54 CCCCC/C=C\CCOCC(=O)[O-] 34a_100016277358_100020667443 [0,0,0,0,0,0|2,0,2]=4 406 B13R0.54 CCCCCC#CCCOCC(=O)N 34a_200000042877_100000187820 [0,0,0,0,0,0|2,0,2]=4 407 B13R0.54 CCCCCC#CCCOCC(=O)N 7a_200000042877_100000187820 [0,0,0,0,0,0|2,0,2]=4 408 B13R0.54 CCCCCC#CCCOCC(=O)[O-] 34a_200000042877_100020667443 [0,0,0,0,0,0|2,0,2]=4 409 B13R0.54 CCCCCC#CCOCCC(=O)C 34a_100000759926_100009816472 [0,0,0,0,0,0|2,0,2]=4 410 B13R0.54 CCCCCC#CCOCCC(=O)C 7a_100000759926_100009816472 [0,0,0,0,0,0|2,0,2]=4 411 B13R0.54 CCCCCC#CCOCCC(=O)C 7a_200000033628_100000053229 [0,0,0,0,0,0|2,0,2]=4 412 B13R0.54 CCCCCC#CCOCCC(=O)N 34a_100000757172_100009816472 [0,0,0,0,0,0|2,0,2]=4 413 B13R0.54 CCCCCC#CCOCCC(=O)N 34a_200000033628_100000731001 [0,0,0,0,0,0|2,0,2]=4 414 B13R0.54 CCCCCC#CCOCCC(=O)N 7a_100000757172_100009816472 [0,0,0,0,0,0|2,0,2]=4 415 B13R0.54 CCCCCC#CCOCCC(=O)N 7a_200000033628_100000744528 [0,0,0,0,0,0|2,0,2]=4 416 B13R0.54 CCCCCC#CCSCCC(=O)C 62a_100000053229_100009816472 [0,0,0,0,0,0|2,0,2]=4 417 B13R0.54 CCCCCC#CCSCCC(=O)C 62a_100009816472_100000053229 [0,0,0,0,0,0|2,0,2]=4 418 B13R0.54 CCCCCC#CCSCCC(=O)N 62a_100000744528_100009816472 [0,0,0,0,0,0|2,0,2]=4 419 B13R0.54 CCCCCC#CCSCCC(=O)N 62a_100009816472_100000744528 [0,0,0,0,0,0|2,0,2]=4 420 B13R0.54 CCCCCC/C=C/COCC(=O)N 34a_200016276170_100000187820 [0,0,0,0,0,0|2,0,2]=4 421 B13R0.54 CCCCCC/C=C/COCC(=O)N 7a_200016276170_100000187820 [0,0,0,0,0,0|2,0,2]=4 422 B13R0.54 CCCCCC/C=C/COCC(=O)[O-] 34a_200016276170_100020667443 [0,0,0,0,0,0|2,0,2]=4 423 B13R0.54 CCCCCCC#CCOCC(=O)N 34a_200000037284_100000187820 [0,0,0,0,0,0|2,0,2]=4 424 B13R0.54 CCCCCCC#CCOCC(=O)N 7a_200000037284_100000187820 [0,0,0,0,0,0|2,0,2]=4 425 B13R0.54 CCCCCCC#CCOCC(=O)[O-] 34a_200000037284_100020667443 [0,0,0,0,0,0|2,0,2]=4 426 B13R0.54 CCCCCCCCC=NNC(=O)C 4a_100000189765_100011218696 [0,0,0,0,0,0|3,0,1]=4 427 B13R0.54 CCCCCCCCCC=CC(=O)C 1458a_200015352897_200000210301 [0,0,0,0,0,0|1,0,2]=3 428 B13R0.54 CCCCCCCCCC=CC(=O)[13CH3] 1458a_200015352897_200025704644 [0,0,0,0,0,0|1,0,2]=3 429 B13R0.54 CCCCCCCCCCCC(=O)C 1458a_100000070787_100011215454 [0,0,0,0,0,0|1,0,0]=1 430 B13R0.54 CCCCCCCCCCCC(=O)C 1458a_100000210736_200000210301 [0,0,0,0,0,0|1,0,0]=1 431 B13R0.54 CCCCCCCCCCCC(=O)[13CH3] 1458a_100000210736_200025704644 [0,0,0,0,0,0|1,0,0]=1 432 B13R0.54 CCCCCCCCCCCN(C)C 2230a_100102631434_100011215454 [0,0,0,0,0,0|3,0,0]=3 433 B13R0.54 CCCCCCCCCCCN(C)C 269982a_100102631434_100011215454 [0,0,0,0,0,0|3,0,0]=3 434 B13R0.54 CCCCCCCCCCNC(=O)C 11a_100000684558_100015343762 [0,0,0,0,0,0|2,0,0]=2 435 B13R0.54 CCCCCCCCCCNC(=O)C 1626a_100000684558_100015343762 [0,0,0,0,0,0|2,0,0]=2 436 B13R0.54 CCCCCCCCCCNC(=O)C 240690a_100000684558_100015343762 [0,0,0,0,0,0|2,0,0]=2 437 B13R0.54 CCCCCCCCCCNC(=O)C 527a_100000684558_100103153847 [0,0,0,0,0,0|2,0,0]=2 438 B13R0.54 CCCCCCCCCCNC(C)C 2230a_100000684558_100000210206 [0,0,0,0,0,0|3,0,1]=4 439 B13R0.54 CCCCCCCCCCNC(C)C 2230a_100138425928_100000210320 [0,0,0,0,0,0|3,0,1]=4 440 B13R0.54 CCCCCCCCCCNC(C)C 34a_100000684558_100000210206 [0,0,0,0,0,0|3,0,1]=4 441 B13R0.54 CCCCCCCCCCNC(C)C 34a_100138425928_100000210320 [0,0,0,0,0,0|3,0,1]=4 442 B13R0.54 CCCCCCCCCCOC(C)C 34a_100000210711_100000210206 [0,0,0,0,0,0|3,0,1]=4 443 B13R0.54 CCCCCCCCCCOC(C)C 34a_100000212225_100000210320 [0,0,0,0,0,0|3,0,1]=4 444 B13R0.54 CCCCCCCCCCOC(C)C 7a_100000210711_100000210206 [0,0,0,0,0,0|3,0,1]=4 445 B13R0.54 CCCCCCCCCNCC(=O)N 2230a_100000212291_100000747473 [0,0,0,0,0,0|2,0,0]=2 446 B13R0.54 CCCCCCCCCNCC(=O)N 2230a_100000711301_100011214924 [0,0,0,0,0,0|2,0,0]=2 447 B13R0.54 CCCCCCCCCNCC(=O)N 34a_100000212291_100000187820 [0,0,0,0,0,0|2,0,0]=2 448 B13R0.54 CCCCCCCCCNCC(=O)O 269956a_100016091260_100000210670 [0,0,0,0,0,0|2,0,0]=2 449 B13R0.54 CCCCCCCCCNCC(=O)[O-] 34a_100000212291_100020667443 [0,0,0,0,0,0|2,0,0]=2 450 B13R0.54 CCCCCCCCCNCC(C)C 2230a_100000210953_100011214924 [0,0,0,0,0,0|3,0,1]=4 451 B13R0.54 CCCCCCCCCNCC(C)C 2230a_100000212291_100000210760 [0,0,0,0,0,0|3,0,1]=4 452 B13R0.54 CCCCCCCCCNCC(C)C 270004a_100000212291_100000210432 [0,0,0,0,0,0|3,0,1]=4 453 B13R0.54 CCCCCCCCCNCC(C)C 34a_100000210953_100011214924 [0,0,0,0,0,0|3,0,1]=4 454 B13R0.54 CCCCCCCCCNCC(C)C 34a_100000212291_100000210624 [0,0,0,0,0,0|3,0,1]=4 455 B13R0.54 CCCCCCCCCNCC(C)O 2230a_100000210904_100011214924 [0,0,0,0,0,0|2,0,2]=4 456 B13R0.54 CCCCCCCCCNCC(C)O 2230a_100000212291_100011218427 [0,0,0,0,0,0|2,0,2]=4 457 B13R0.54 CCCCCCCCCNCC(C)O 34a_100000210904_100011214924 [0,0,0,0,0,0|2,0,2]=4 458 B13R0.54 CCCCCCCCCNCC(C)O 34a_100000212291_100011218427 [0,0,0,0,0,0|2,0,2]=4 459 B13R0.54 CCCCCCCCCNCC(F)F 2230a_100000212291_100011934356 [0,0,0,0,0,0|2,1,1]=4 460 B13R0.54 CCCCCCCCCNCC(F)F 34a_100000212291_100011934356 [0,0,0,0,0,0|2,1,1]=4 461 B13R0.54 CCCCCCCCCNCC(F)F 34a_100000765723_100011214924 [0,0,0,0,0,0|2,1,1]=4 462 B13R0.54 CCCCCCCCCNC[C@@H](C)O 2230a_100000212291_100009817552 [0,0,0,0,0,0|2,0,2]=4 463 B13R0.54 CCCCCCCCCNC[C@@H](C)O 34a_100000212291_100009817552 [0,0,0,0,0,0|2,0,2]=4 464 B13R0.54 CCCCCCCCCNC[N+](=O)[O-] 34a_100000212291_100000761209 [0,0,0,0,0,0|3,0,0]=3 465 B13R0.54 CCCCCCCCCOCC(=O)C 34a_100000211253_100011214924 [0,0,0,0,0,0|2,0,0]=2 466 B13R0.54 CCCCCCCCCOCC(=O)N 34a_100000210712_100000187820 [0,0,0,0,0,0|2,0,0]=2 467 B13R0.54 CCCCCCCCCOCC(=O)N 7a_100000210712_100000187820 [0,0,0,0,0,0|2,0,0]=2 468 B13R0.54 CCCCCCCCCOCC(=O)[O-] 34a_100000210712_100020667443 [0,0,0,0,0,0|2,0,0]=2 469 B13R0.54 CCCCCCCCCOCC(C)Br 34a_100012180447_100011214924 [0,0,0,0,0,0|2,1,1]=4 470 B13R0.54 CCCCCCCCCOCC(C)C 34a_100000210257_100011214924 [0,0,0,0,0,0|3,0,1]=4 471 B13R0.54 CCCCCCCCCOCC(C)C 34a_100000210712_100000210624 [0,0,0,0,0,0|3,0,1]=4 472 B13R0.54 CCCCCCCCCOCC(C)C 7a_100000210712_100000210760 [0,0,0,0,0,0|3,0,1]=4 473 B13R0.54 CCCCCCCCCOCC(C)F 34a_100015925927_100011214924 [0,0,0,0,0,0|2,1,1]=4 474 B13R0.54 CCCCCCCCCOCC(C)O 34a_100000210712_100011218427 [0,0,0,0,0,0|2,0,2]=4 475 B13R0.54 CCCCCCCCCOCC(C)O 7a_100000210712_100011218427 [0,0,0,0,0,0|2,0,2]=4 476 B13R0.54 CCCCCCCCCOCC(F)F 34a_100000210712_100011934356 [0,0,0,0,0,0|2,1,1]=4 477 B13R0.54 CCCCCCCCCOCC(F)F 34a_100000743014_100011214924 [0,0,0,0,0,0|2,1,1]=4 478 B13R0.54 CCCCCCCCCOCC(F)F 7a_100000210712_100011934356 [0,0,0,0,0,0|2,1,1]=4 479 B13R0.54 CCCCCCCCCOC[C@@H](C)Cl 34a_100016084084_100011214924 [0,0,0,0,0,0|2,0,1]=3 480 B13R0.54 CCCCCCCCCOC[C@@H](C)N 34a_100000737577_100011214924 [0,0,0,0,0,0|3,0,1]=4 481 B13R0.54 CCCCCCCCCOC[C@@H](C)O 34a_100000210712_100009817552 [0,0,0,0,0,0|2,0,2]=4 482 B13R0.54 CCCCCCCCCOC[C@@H](C)O 7a_100000210712_100009817552 [0,0,0,0,0,0|2,0,2]=4 483 B13R0.54 CCCCCCCCCOC[N+](=O)[O-] 34a_100000210712_100000761209 [0,0,0,0,0,0|3,0,0]=3 484 B13R0.54 CCCCCCCCCSCC(=O)N 62a_100000747473_100000210670 [0,0,0,0,0,0|2,0,0]=2 485 B13R0.54 CCCCCCCCCSCC(=O)[O-] 62a_100020667443_100000210670 [0,0,0,0,0,0|2,0,0]=2 486 B13R0.54 CCCCCCCCCSCC(C)O 62a_100011218427_100000210670 [0,0,0,0,0,0|2,0,2]=4 487 B13R0.54 CCCCCCCCCSCC(F)F 62a_100011934356_100000210670 [0,0,0,0,0,0|2,1,1]=4 488 B13R0.54 CCCCCCCCCSC[C@@H](C)O 62a_100009817552_100000210670 [0,0,0,0,0,0|2,0,2]=4 489 B13R0.54 CCCCCCCCNCC=C(C)C 2230a_100000229939_100000761012 [0,0,0,0,0,0|3,0,1]=4 490 B13R0.54 CCCCCCCCNCC=C(C)C 34a_100000229939_100000761012 [0,0,0,0,0,0|3,0,1]=4 491 B13R0.54 CCCCCCCCNCC=C(C)C 34a_100000718196_100000210759 [0,0,0,0,0,0|3,0,1]=4 492 B13R0.54 CCCCCCCCNCCC(=O)N 2230a_100000229939_100000744528 [0,0,0,0,0,0|2,0,0]=2 493 B13R0.54 CCCCCCCCNCCC(=O)N 34a_100000229939_100000731001 [0,0,0,0,0,0|2,0,0]=2 494 B13R0.54 CCCCCCCCNCCC(C)C 2230a_100000229939_100000210312 [0,0,0,0,0,0|3,0,1]=4 495 B13R0.54 CCCCCCCCNCCC(C)C 269862a_100000229939_100000185833 [0,0,0,0,0,0|3,0,1]=4 496 B13R0.54 CCCCCCCCNCCC(C)C 34a_100000229939_100000210312 [0,0,0,0,0,0|3,0,1]=4 497 B13R0.54 CCCCCCCCNCCC(C)O 2230a_100000229939_100012276601 [0,0,0,0,0,0|2,0,2]=4 498 B13R0.54 CCCCCCCCNCCC(C)O 2230a_200000755665_100000210759 [0,0,0,0,0,0|2,0,2]=4 499 B13R0.54 CCCCCCCCNCCC(C)O 34a_100000229939_100012276601 [0,0,0,0,0,0|2,0,2]=4 500 B13R0.54 CCCCCCCCNCOC(=O)C 34a_100000229939_100009813279 [0,0,0,0,0,0|3,0,0]=3 501 B13R0.54 CCCCCCCCNOCC(=O)O 269956a_100000106656_100000210759 [0,0,0,0,0,0|3,0,0]=3 502 B13R0.54 CCCCCCCCOCC=C(C)C 34a_100000210232_100000761012 [0,0,0,0,0,0|3,0,1]=4 503 B13R0.54 CCCCCCCCOCC=C(C)C 34a_100000753907_100000210759 [0,0,0,0,0,0|3,0,1]=4 504 B13R0.54 CCCCCCCCOCC=C(C)C 7a_100000210232_100000761012 [0,0,0,0,0,0|3,0,1]=4 505 B13R0.54 CCCCCCCCOCCC(=O)C 34a_100000759926_100000210759 [0,0,0,0,0,0|2,0,0]=2 506 B13R0.54 CCCCCCCCOCCC(=O)C 7a_100000210232_100000053229 [0,0,0,0,0,0|2,0,0]=2 507 B13R0.54 CCCCCCCCOCCC(=O)C 7a_100000759926_100000210759 [0,0,0,0,0,0|2,0,0]=2 508 B13R0.54 CCCCCCCCOCCC(=O)N 34a_100000210232_100000731001 [0,0,0,0,0,0|2,0,0]=2 509 B13R0.54 CCCCCCCCOCCC(=O)N 34a_100000757172_100000210759 [0,0,0,0,0,0|2,0,0]=2 510 B13R0.54 CCCCCCCCOCCC(=O)N 7a_100000210232_100000744528 [0,0,0,0,0,0|2,0,0]=2 511 B13R0.54 CCCCCCCCOCCC(=O)N 7a_100000757172_100000210759 [0,0,0,0,0,0|2,0,0]=2 512 B13R0.54 CCCCCCCCOCCC(C)Br 34a_100009893172_100000210759 [0,0,0,0,0,0|2,1,1]=4 513 B13R0.54 CCCCCCCCOCCC(C)C 34a_100000210232_100000210312 [0,0,0,0,0,0|3,0,1]=4 514 B13R0.54 CCCCCCCCOCCC(C)C 34a_100000210254_100000210759 [0,0,0,0,0,0|3,0,1]=4 515 B13R0.54 CCCCCCCCOCCC(C)C 7a_100000210232_100000210626 [0,0,0,0,0,0|3,0,1]=4 516 B13R0.54 CCCCCCCCOCCC(C)C 7a_100000210254_100000210759 [0,0,0,0,0,0|3,0,1]=4 517 B13R0.54 CCCCCCCCOCCC(C)O 34a_100000210232_100012276601 [0,0,0,0,0,0|2,0,2]=4 518 B13R0.54 CCCCCCCCOCCC(C)O 7a_100000210232_100012276601 [0,0,0,0,0,0|2,0,2]=4 519 B13R0.54 CCCCCCCCOCCC(F)F 34a_100103093639_100000210759 [0,0,0,0,0,0|2,1,1]=4 520 B13R0.54 CCCCCCCCOCCN(C)C 7a_100000210232_100000755713 [0,0,0,0,0,0|4,0,0]=4 521 B13R0.54 CCCCCCCCOCC[C@@H](C)N 34a_100000706166_100000210759 [0,0,0,0,0,0|3,0,1]=4 522 B13R0.54 CCCCCCCCOCOC(=O)C 34a_100000210232_100009813279 [0,0,0,0,0,0|3,0,0]=3 523 B13R0.54 CCCCCCCCSCCC(=O)C 62a_100000053229_100000210317 [0,0,0,0,0,0|2,0,0]=2 524 B13R0.54 CCCCCCCCSCCC(=O)C 62a_100000210759_100000053229 [0,0,0,0,0,0|2,0,0]=2 525 B13R0.54 CCCCCCCCSCCC(=O)N 62a_100000210759_100000744528 [0,0,0,0,0,0|2,0,0]=2 526 B13R0.54 CCCCCCCCSCCC(=O)N 62a_100000744528_100000210317 [0,0,0,0,0,0|2,0,0]=2 527 B13R0.54 CCCCCCCCSCCC(C)O 62a_100000210759_100012276601 [0,0,0,0,0,0|2,0,2]=4 528 B13R0.54 CCCCCCCCSCCC(C)O 62a_100012276601_100000210317 [0,0,0,0,0,0|2,0,2]=4 529 B13R0.54 CCCCCCCCSCCN(C)C 62a_100000210759_100000755713 [0,0,0,0,0,0|4,0,0]=4 530 B13R0.54 CCCCCCCCSCOC(=O)C 62a_100000076356_100000210317 [0,0,0,0,0,0|3,0,0]=3 531 B13R0.54 CCCCCCCCSCOC(=O)C 62a_100000210759_100000076356 [0,0,0,0,0,0|3,0,0]=3 532 B13R0.54 CCCCCCCNCCC=C(C)C 2230a_100000229938_100011217483 [0,0,0,0,0,0|3,0,1]=4 533 B13R0.54 CCCCCCCNCCC=C(F)F 2230a_100000229938_200009816681 [0,0,0,0,0,0|2,1,1]=4 534 B13R0.54 CCCCCCCNCCCC(=O)N 34a_100000739312_100000210614 [0,0,0,0,0,0|2,0,0]=2 535 B13R0.54 CCCCCCCNCCCC(C)C 2230a_100000229938_100011214892 [0,0,0,0,0,0|3,0,1]=4 536 B13R0.54 CCCCCCCNCCCC(C)C 2230a_200000737386_100000210681 [0,0,0,0,0,0|3,0,1]=4 537 B13R0.54 CCCCCCCNCCCC(C)C 34a_200000737386_100000210614 [0,0,0,0,0,0|3,0,1]=4 538 B13R0.54 CCCCCCCNCCCC(C)O 2230a_100000229938_200000718107 [0,0,0,0,0,0|2,0,2]=4 539 B13R0.54 CCCCCCCNCCCS(=O)C 2230a_200000753449_100000210681 [0,0,0,0,0,0|3,0,0]=3 540 B13R0.54 CCCCCCCNCCNC(=O)C 2230a_100000209853_100000210681 [0,0,0,0,0,0|3,0,0]=3 541 B13R0.54 CCCCCCCNCCNC(=O)C 2230a_100000229938_100000189650 [0,0,0,0,0,0|3,0,0]=3 542 B13R0.54 CCCCCCCNCCNC(=O)N 2230a_100000229938_200000034859 [0,0,0,0,0,0|3,0,0]=3 543 B13R0.54 CCCCCCCNCCNC(=O)N 34a_100020590234_100000210614 [0,0,0,0,0,0|3,0,0]=3 544 B13R0.54 CCCCCCCOCCC=C(C)C 34a_100000210272_100011217483 [0,0,0,0,0,0|3,0,1]=4 545 B13R0.54 CCCCCCCOCCC=C(C)C 7a_100000210272_100011217483 [0,0,0,0,0,0|3,0,1]=4 546 B13R0.54 CCCCCCCOCCC=C(F)F 34a_100000210272_200009816681 [0,0,0,0,0,0|2,1,1]=4 547 B13R0.54 CCCCCCCOCCC=C(F)F 7a_100000210272_200009816681 [0,0,0,0,0,0|2,1,1]=4 548 B13R0.54 CCCCCCCOCCCC(=O)C 34a_100000210272_100000685027 [0,0,0,0,0,0|2,0,0]=2 549 B13R0.54 CCCCCCCOCCCC(=O)C 34a_100000759063_100000210614 [0,0,0,0,0,0|2,0,0]=2 550 B13R0.54 CCCCCCCOCCCC(=O)C 7a_100000210272_100011215641 [0,0,0,0,0,0|2,0,0]=2 551 B13R0.54 CCCCCCCOCCCC(=O)C 7a_100000759063_100000210614 [0,0,0,0,0,0|2,0,0]=2 552 B13R0.54 CCCCCCCOCCCC(=O)N 34a_100000210272_100102525003 [0,0,0,0,0,0|2,0,0]=2 553 B13R0.54 CCCCCCCOCCCC(=O)N 7a_100000210272_100102525003 [0,0,0,0,0,0|2,0,0]=2 554 B13R0.54 CCCCCCCOCCCC(C)C 34a_100000210272_100011214892 [0,0,0,0,0,0|3,0,1]=4 555 B13R0.54 CCCCCCCOCCCC(C)C 34a_100000210774_100000210614 [0,0,0,0,0,0|3,0,1]=4 556 B13R0.54 CCCCCCCOCCCC(C)C 7a_100000210272_100011214892 [0,0,0,0,0,0|3,0,1]=4 557 B13R0.54 CCCCCCCOCCCC(C)C 7a_100000210774_100000210614 [0,0,0,0,0,0|3,0,1]=4 558 B13R0.54 CCCCCCCOCCCC(C)O 34a_100000210272_200000718107 [0,0,0,0,0,0|2,0,2]=4 559 B13R0.54 CCCCCCCOCCCC(C)O 7a_100000210272_200000718107 [0,0,0,0,0,0|2,0,2]=4 560 B13R0.54 CCCCCCCOCCCN(C)C 7a_100000210272_100000757444 [0,0,0,0,0,0|4,0,0]=4 561 B13R0.54 CCCCCCCOCCC[N+](=O)[O-] 34a_200000037920_100000210614 [0,0,0,0,0,0|3,0,0]=3 562 B13R0.54 CCCCCCCOCCNC(=O)C 34a_100000158858_100000210614 [0,0,0,0,0,0|3,0,0]=3 563 B13R0.54 CCCCCCCOCCNC(=O)C 7a_100000210272_100000189650 [0,0,0,0,0,0|3,0,0]=3 564 B13R0.54 CCCCCCCOCCNC(=O)N 34a_100000181757_100000210614 [0,0,0,0,0,0|3,0,0]=3 565 B13R0.54 CCCCCCCOCCNC(=O)N 7a_100000210272_200000034859 [0,0,0,0,0,0|3,0,0]=3 566 B13R0.54 CCCCCCCOCCOC(=O)C 34a_100000210272_100009814007 [0,0,0,0,0,0|3,0,0]=3 567 B13R0.54 CCCCCCCOCCOC(=O)C 7a_100000210272_100009814007 [0,0,0,0,0,0|3,0,0]=3 568 B13R0.54 CCCCCCCOCCOC(=O)N 34a_100000210272_200011214921 [0,0,0,0,0,0|3,0,0]=3 569 B13R0.54 CCCCCCCOCCOC(=O)N 7a_100000210272_200011214921 [0,0,0,0,0,0|3,0,0]=3 570 B13R0.54 CCCCCCCOCCOC(=O)N 7a_100000766696_100000210614 [0,0,0,0,0,0|3,0,0]=3 571 B13R0.54 CCCCCCCSCCC=C(F)F 62a_100000210614_200009816681 [0,0,0,0,0,0|2,1,1]=4 572 B13R0.54 CCCCCCCSCCC=C(F)F 62a_200009816681_100000210316 [0,0,0,0,0,0|2,1,1]=4 573 B13R0.54 CCCCCCCSCCCC(=O)C 62a_100000210614_100011215641 [0,0,0,0,0,0|2,0,0]=2 574 B13R0.54 CCCCCCCSCCCC(=O)C 62a_100011215641_100000210316 [0,0,0,0,0,0|2,0,0]=2 575 B13R0.54 CCCCCCCSCCCC(=O)N 62a_100000210614_100102525003 [0,0,0,0,0,0|2,0,0]=2 576 B13R0.54 CCCCCCCSCCCC(=O)N 62a_100102525003_100000210316 [0,0,0,0,0,0|2,0,0]=2 577 B13R0.54 CCCCCCCSCCCC(C)O 62a_100000210614_200000718107 [0,0,0,0,0,0|2,0,2]=4 578 B13R0.54 CCCCCCCSCCCC(C)O 62a_200000718107_100000210316 [0,0,0,0,0,0|2,0,2]=4 579 B13R0.54 CCCCCCCSCCCN(C)C 62a_100000210614_100000757444 [0,0,0,0,0,0|4,0,0]=4 580 B13R0.54 CCCCCCCSCCNC(=O)C 62a_100000189650_100000210316 [0,0,0,0,0,0|3,0,0]=3 581 B13R0.54 CCCCCCCSCCNC(=O)C 62a_100000210614_100000189650 [0,0,0,0,0,0|3,0,0]=3 582 B13R0.54 CCCCCCCSCCNC(=O)N 62a_100000210614_200000034859 [0,0,0,0,0,0|3,0,0]=3 583 B13R0.54 CCCCCCCSCCNC(=O)N 62a_200000034859_100000210316 [0,0,0,0,0,0|3,0,0]=3 584 B13R0.54 CCCCCCCSCCOC(=O)C 62a_100000210614_100009814007 [0,0,0,0,0,0|3,0,0]=3 585 B13R0.54 CCCCCCCSCCOC(=O)C 62a_100009814007_100000210316 [0,0,0,0,0,0|3,0,0]=3 586 B13R0.54 CCCCCCCSCCOC(=O)N 62a_100000210614_200011214921 [0,0,0,0,0,0|3,0,0]=3 587 B13R0.54 CCCCCCCSCCOC(=O)N 62a_200011214921_100000210316 [0,0,0,0,0,0|3,0,0]=3 588 B13R0.54 CCCCCCNCCCCB(O)O 2230a_100000210581_200009817182 [0,0,0,0,0,0|3,0,1]=4 589 B13R0.54 CCCCCCNCCCCC(=O)N 34a_100000696515_100000210314 [0,0,0,0,0,0|2,0,0]=2 590 B13R0.54 CCCCCCNCCCCC(C)C 2230a_100000210581_100011216152 [0,0,0,0,0,0|3,0,1]=4 591 B13R0.54 CCCCCCNCCCNC(=O)C 34a_100000736810_100000210314 [0,0,0,0,0,0|3,0,0]=3 592 B13R0.54 CCCCCCNCCCOC(=S)C 2230a_100000210581_200135323944 [0,0,0,0,0,0|3,1,0]=4 593 B13R0.54 CCCCCCNCCCSC(=O)C 2230a_100000210581_100000038929 [0,0,0,0,0,0|3,0,0]=3 594 B13R0.54 CCCCCCNCCOCC(=O)N 2230a_100000210581_100000076697 [0,0,0,0,0,0|3,0,0]=3 595 B13R0.54 CCCCCCNCCOCC(=O)O 269956a_100000700818_100000210757 [0,0,0,0,0,0|3,0,0]=3 596 B13R0.54 CCCCCCOCCCCB(O)O 34a_100000210259_200009817182 [0,0,0,0,0,0|3,0,1]=4 597 B13R0.54 CCCCCCOCCCCB(O)O 7a_100000210259_200009817182 [0,0,0,0,0,0|3,0,1]=4 598 B13R0.54 CCCCCCOCCCCC(=O)C 34a_100000210259_100009817362 [0,0,0,0,0,0|2,0,0]=2 599 B13R0.54 CCCCCCOCCCCC(=O)C 7a_100000210259_100000735457 [0,0,0,0,0,0|2,0,0]=2 600 B13R0.54 CCCCCCOCCCCC(=O)N 34a_100012022536_100000210314 [0,0,0,0,0,0|2,0,0]=2 601 B13R0.54 CCCCCCOCCCCC(=O)N 7a_100012022536_100000210314 [0,0,0,0,0,0|2,0,0]=2 602 B13R0.54 CCCCCCOCCCCC(C)C 34a_100000210259_100011216152 [0,0,0,0,0,0|3,0,1]=4 603 B13R0.54 CCCCCCOCCCCC(C)C 34a_100011214890_100000210314 [0,0,0,0,0,0|3,0,1]=4 604 B13R0.54 CCCCCCOCCCCC(C)C 7a_100000210259_100011216152 [0,0,0,0,0,0|3,0,1]=4 605 B13R0.54 CCCCCCOCCCCC(C)C 7a_100011214890_100000210314 [0,0,0,0,0,0|3,0,1]=4 606 B13R0.54 CCCCCCOCCCC[N+](=O)[O-] 34a_200015379883_100000210314 [0,0,0,0,0,0|3,0,0]=3 607 B13R0.54 CCCCCCOCCCC[N+](=O)[O-] 7a_200015379883_100000210314 [0,0,0,0,0,0|3,0,0]=3 608 B13R0.54 CCCCCCOCCCNC(=O)C 34a_100000752032_100000210314 [0,0,0,0,0,0|3,0,0]=3 609 B13R0.54 CCCCCCOCCCOC(=O)C 34a_100000210259_100000042594 [0,0,0,0,0,0|3,0,0]=3 610 B13R0.54 CCCCCCOCCCOC(=O)C 7a_100000210259_100000042594 [0,0,0,0,0,0|3,0,0]=3 611 B13R0.54 CCCCCCOCCCOC(=S)C 34a_100000210259_200135323944 [0,0,0,0,0,0|3,1,0]=4 612 B13R0.54 CCCCCCOCCCOC(=S)C 7a_100000210259_200135323944 [0,0,0,0,0,0|3,1,0]=4 613 B13R0.54 CCCCCCOCCCSC(=O)C 34a_100000210259_100000038929 [0,0,0,0,0,0|3,0,0]=3 614 B13R0.54 CCCCCCOCCCSC(=O)C 7a_100000210259_100000038929 [0,0,0,0,0,0|3,0,0]=3 615 B13R0.54 CCCCCCOCCOCC(=O)N 34a_100000210259_100000076697 [0,0,0,0,0,0|3,0,0]=3 616 B13R0.54 CCCCCCOCCOCC(=O)N 34a_100000691444_100000187820 [0,0,0,0,0,0|3,0,0]=3 617 B13R0.54 CCCCCCOCCOCC(=O)N 7a_100000210259_100000076697 [0,0,0,0,0,0|3,0,0]=3 618 B13R0.54 CCCCCCOCCOCC(=O)N 7a_100000691444_100000187820 [0,0,0,0,0,0|3,0,0]=3 619 B13R0.54 CCCCCCOCCOCC(=O)[O-] 34a_100000691444_100020667443 [0,0,0,0,0,0|3,0,0]=3 620 B13R0.54 CCCCCCOCCOC[N+](=O)[O-] 34a_100000691444_100000761209 [0,0,0,0,0,0|4,0,0]=4 621 B13R0.54 CCCCCCSCCCCB(O)O 62a_100000210314_200009817182 [0,0,0,0,0,0|3,0,1]=4 622 B13R0.54 CCCCCCSCCCCB(O)O 62a_200009817182_100000210757 [0,0,0,0,0,0|3,0,1]=4 623 B13R0.54 CCCCCCSCCCCC(=O)C 62a_100000210314_100000735457 [0,0,0,0,0,0|2,0,0]=2 624 B13R0.54 CCCCCCSCCCCC(=O)C 62a_100000735457_100000210757 [0,0,0,0,0,0|2,0,0]=2 625 B13R0.54 CCCCCCSCCCCN(C)C 62a_100000210314_100000690147 [0,0,0,0,0,0|4,0,0]=4 626 B13R0.54 CCCCCCSCCCOC(=O)C 62a_100000042594_100000210757 [0,0,0,0,0,0|3,0,0]=3 627 B13R0.54 CCCCCCSCCCOC(=O)C 62a_100000210314_100000042594 [0,0,0,0,0,0|3,0,0]=3 628 B13R0.54 CCCCCCSCCCOC(=S)C 62a_100000210314_200135323944 [0,0,0,0,0,0|3,1,0]=4 629 B13R0.54 CCCCCCSCCCOC(=S)C 62a_200135323944_100000210757 [0,0,0,0,0,0|3,1,0]=4 630 B13R0.54 CCCCCCSCCCSC(=O)C 62a_100000038929_100000210757 [0,0,0,0,0,0|3,0,0]=3 631 B13R0.54 CCCCCCSCCCSC(=O)C 62a_100000210314_100000038929 [0,0,0,0,0,0|3,0,0]=3 632 B13R0.54 CCCCCCSCCOCC(=O)N 62a_100000076697_100000210757 [0,0,0,0,0,0|3,0,0]=3 633 B13R0.54 CCCCCCSCCOCC(=O)N 62a_100000210314_100000076697 [0,0,0,0,0,0|3,0,0]=3 634 B13R0.54 CCCCCNCCCCCB(O)O 2230a_100000209983_200009817188 [0,0,0,0,0,0|3,0,1]=4 635 B13R0.54 CCCCCNCCCCCC(=O)N 2230a_100000209983_100009817443 [0,0,0,0,0,0|2,0,0]=2 636 B13R0.54 CCCCCNCCCCCC(C)C 2230a_100000209983_100000210682 [0,0,0,0,0,0|3,0,1]=4 637 B13R0.54 CCCCCNCCCCCC(C)C 2230a_100011290863_100000210326 [0,0,0,0,0,0|3,0,1]=4 638 B13R0.54 CCCCCNCCCCCC(C)C 34a_100011290863_100000718602 [0,0,0,0,0,0|3,0,1]=4 639 B13R0.54 CCCCCNCCCCNC(=O)C 2230a_200011368371_100000210326 [0,0,0,0,0,0|3,0,0]=3 640 B13R0.54 CCCCCNCCCCNC(=O)C 34a_200011368371_100000718602 [0,0,0,0,0,0|3,0,0]=3 641 B13R0.54 CCCCCNCCCCSC(=O)C 2230a_100000209983_200010402107 [0,0,0,0,0,0|3,0,0]=3 642 B13R0.54 CCCCCNCCOCCC(=O)N 34a_100000224656_100000731001 [0,0,0,0,0,0|3,0,0]=3 643 B13R0.54 CCCCCNCCOCOC(=O)C 34a_100000224656_100009813279 [0,0,0,0,0,0|4,0,0]=4 644 B13R0.54 CCCCCOCCCCCB(O)O 34a_100000210253_200009817188 [0,0,0,0,0,0|3,0,1]=4 645 B13R0.54 CCCCCOCCCCCB(O)O 7a_100000210253_200009817188 [0,0,0,0,0,0|3,0,1]=4 646 B13R0.54 CCCCCOCCCCCC(=O)N 34a_100000123541_100000718602 [0,0,0,0,0,0|2,0,0]=2 647 B13R0.54 CCCCCOCCCCCC(=O)N 34a_100000210253_100009817443 [0,0,0,0,0,0|2,0,0]=2 648 B13R0.54 CCCCCOCCCCCC(=O)N 7a_100000123541_100000210326 [0,0,0,0,0,0|2,0,0]=2 649 B13R0.54 CCCCCOCCCCCC(=O)N 7a_100000210253_100009817443 [0,0,0,0,0,0|2,0,0]=2 650 B13R0.54 CCCCCOCCCCCC(=O)[O-] 7a_100102619762_100000210326 [0,0,0,0,0,0|2,0,0]=2 651 B13R0.54 CCCCCOCCCCCC(C)C 34a_100000210253_100000210682 [0,0,0,0,0,0|3,0,1]=4 652 B13R0.54 CCCCCOCCCCCC(C)C 34a_100011995859_100000718602 [0,0,0,0,0,0|3,0,1]=4 653 B13R0.54 CCCCCOCCCCCC(C)C 7a_100000210253_100000210682 [0,0,0,0,0,0|3,0,1]=4 654 B13R0.54 CCCCCOCCCCCC(C)C 7a_100011995859_100000210326 [0,0,0,0,0,0|3,0,1]=4 655 B13R0.54 CCCCCOCCCCOC(=O)C 34a_100000073216_100000718602 [0,0,0,0,0,0|3,0,0]=3 656 B13R0.54 CCCCCOCCCCOC(=O)C 34a_100000210253_100000033659 [0,0,0,0,0,0|3,0,0]=3 657 B13R0.54 CCCCCOCCCCOC(=O)C 7a_100000073216_100000210326 [0,0,0,0,0,0|3,0,0]=3 658 B13R0.54 CCCCCOCCCCOC(=O)C 7a_100000210253_100000033659 [0,0,0,0,0,0|3,0,0]=3 659 B13R0.54 CCCCCOCCCCO[N+](=O)[O-] 34a_100000210253_100015694321 [0,0,0,0,0,0|4,0,0]=4 660 B13R0.54 CCCCCOCCCCO[N+](=O)[O-] 7a_100000210253_100015694321 [0,0,0,0,0,0|4,0,0]=4 661 B13R0.54 CCCCCOCCCCSC(=O)C 34a_100000210253_200010402107 [0,0,0,0,0,0|3,0,0]=3 662 B13R0.54 CCCCCOCCCCSC(=O)C 7a_100000210253_200010402107 [0,0,0,0,0,0|3,0,0]=3 663 B13R0.54 CCCCCOCCOCCC(=O)C 7a_100011215259_100000053229 [0,0,0,0,0,0|3,0,0]=3 664 B13R0.54 CCCCCOCCOCCC(=O)N 34a_100011215259_100000731001 [0,0,0,0,0,0|3,0,0]=3 665 B13R0.54 CCCCCOCCOCCC(=O)N 7a_100011215259_100000744528 [0,0,0,0,0,0|3,0,0]=3 666 B13R0.54 CCCCCOCCOCOC(=O)C 34a_100011215259_100009813279 [0,0,0,0,0,0|4,0,0]=4 667 B13R0.54 CCCCCOCOCCOC(=O)C 34a_100000210253_100000076355 [0,0,0,0,0,0|4,0,0]=4 668 B13R0.54 CCCCCSCCCCCB(O)O 62a_100000210326_200009817188 [0,0,0,0,0,0|3,0,1]=4 669 B13R0.54 CCCCCSCCCCCB(O)O 62a_200009817188_100000210326 [0,0,0,0,0,0|3,0,1]=4 670 B13R0.54 CCCCCSCCCCCC(=O)N 62a_100000210326_100009817443 [0,0,0,0,0,0|2,0,0]=2 671 B13R0.54 CCCCCSCCCCCC(=O)N 62a_100009817443_100000210326 [0,0,0,0,0,0|2,0,0]=2 672 B13R0.54 CCCCCSCCCCOC(=O)C 62a_100000033659_100000210326 [0,0,0,0,0,0|3,0,0]=3 673 B13R0.54 CCCCCSCCCCOC(=O)C 62a_100000210326_100000033659 [0,0,0,0,0,0|3,0,0]=3 674 B13R0.54 CCCCCSCCCCO[N+](=O)[O-] 62a_100000210326_100015694321 [0,0,0,0,0,0|4,0,0]=4 675 B13R0.54 CCCCCSCCCCSC(=O)C 62a_100000210326_200010402107 [0,0,0,0,0,0|3,0,0]=3 676 B13R0.54 CCCCCSCCCCSC(=O)C 62a_200010402107_100000210326 [0,0,0,0,0,0|3,0,0]=3 677 B13R0.54 CCCCCSCOCCOC(=O)C 62a_100000076355_100000210326 [0,0,0,0,0,0|4,0,0]=4 678 B13R0.54 CCCCCSCOCCOC(=O)C 62a_100000210326_100000076355 [0,0,0,0,0,0|4,0,0]=4 679 B13R0.54 CCCCNCCCCCCB(O)O 2230a_100000102301_100009817187 [0,0,0,0,0,0|3,0,1]=4 680 B13R0.54 CCCCNCCCCCCB(O)O 7a_106832991798_100009817187 [0,0,0,0,0,0|3,0,1]=4 681 B13R0.54 CCCCNCCCCCCC(C)C 2230a_100000211014_100000210211 [0,0,0,0,0,0|3,0,1]=4 682 B13R0.54 CCCCNCCCCCCC(C)C 34a_100000211014_100000210210 [0,0,0,0,0,0|3,0,1]=4 683 B13R0.54 CCCCNCCCCCNC(=O)C 2230a_200012022750_100000210211 [0,0,0,0,0,0|3,0,0]=3 684 B13R0.54 CCCCNCCCCCNC(=O)C 34a_200012022750_100000210210 [0,0,0,0,0,0|3,0,0]=3 685 B13R0.54 CCCCNCCCCCOC(=O)C 2230a_100000102301_100009813381 [0,0,0,0,0,0|3,0,0]=3 686 B13R0.54 CCCCNCCCCCOC(=O)C 7a_106832991798_100000033007 [0,0,0,0,0,0|3,0,0]=3 687 B13R0.54 CCCCNCCCCOCC(=O)N 34a_200011216965_100000187820 [0,0,0,0,0,0|3,0,0]=3 688 B13R0.54 CCCCNCCCCOCC(=O)[O-] 34a_200011216965_100020667443 [0,0,0,0,0,0|3,0,0]=3 689 B13R0.54 CCCCNCCCCOC[N+](=O)[O-] 34a_200011216965_100000761209 [0,0,0,0,0,0|4,0,0]=4 690 B13R0.54 CCCCNCCOCCOC(=O)C 2230a_100000102301_200000083610 [0,0,0,0,0,0|4,0,0]=4 691 B13R0.54 CCCCNCCOCCOC(=O)C 7a_106832991798_200000083610 [0,0,0,0,0,0|4,0,0]=4 692 B13R0.54 CCCCOCCCCCCB(O)O 34a_100000210227_100009817187 [0,0,0,0,0,0|3,0,1]=4 693 B13R0.54 CCCCOCCCCCCB(O)O 7a_100000210227_100009817187 [0,0,0,0,0,0|3,0,1]=4 694 B13R0.54 CCCCOCCCCCOC(=O)C 34a_100000210227_100000033007 [0,0,0,0,0,0|3,0,0]=3 695 B13R0.54 CCCCOCCCCCOC(=O)C 7a_100000210227_100000033007 [0,0,0,0,0,0|3,0,0]=3 696 B13R0.54 CCCCOCCCCOCC(=O)N 34a_200000760531_100000187820 [0,0,0,0,0,0|3,0,0]=3 697 B13R0.54 CCCCOCCCCOCC(=O)N 7a_200000760531_100000187820 [0,0,0,0,0,0|3,0,0]=3 698 B13R0.54 CCCCOCCCCOCC(=O)[O-] 34a_200000760531_100020667443 [0,0,0,0,0,0|3,0,0]=3 699 B13R0.54 CCCCOCCCCOC[N+](=O)[O-] 34a_200000760531_100000761209 [0,0,0,0,0,0|4,0,0]=4 700 B13R0.54 CCCCOCCCNCCC(=O)N 2230a_200000211371_100000744528 [0,0,0,0,0,0|3,0,0]=3 701 B13R0.54 CCCCOCCCNCCC(=O)N 34a_200000211371_100000731001 [0,0,0,0,0,0|3,0,0]=3 702 B13R0.54 CCCCOCCCNCOC(=O)C 34a_200000211371_100009813279 [0,0,0,0,0,0|4,0,0]=4 703 B13R0.54 CCCCOCCCOCCC(=O)C 7a_200011215613_100000053229 [0,0,0,0,0,0|3,0,0]=3 704 B13R0.54 CCCCOCCCOCCC(=O)N 34a_200011215613_100000731001 [0,0,0,0,0,0|3,0,0]=3 705 B13R0.54 CCCCOCCCOCCC(=O)N 7a_200011215613_100000744528 [0,0,0,0,0,0|3,0,0]=3 706 B13R0.54 CCCCOCCCOCOC(=O)C 34a_200011215613_100009813279 [0,0,0,0,0,0|4,0,0]=4 707 B13R0.54 CCCCOCCNCCCC(=O)N 34a_100000739312_100000743108 [0,0,0,0,0,0|3,0,0]=3 708 B13R0.54 CCCCOCCNCCCS(=O)C 2230a_200000753449_100000743108 [0,0,0,0,0,0|4,0,0]=4 709 B13R0.54 CCCCOCCNCCNC(=O)C 2230a_100000209853_100000743108 [0,0,0,0,0,0|4,0,0]=4 710 B13R0.54 CCCCOCCNCCNC(=O)N 34a_100020590234_100000743108 [0,0,0,0,0,0|4,0,0]=4 711 B13R0.54 CCCCOCCOCCCC(=O)C 34a_100000210238_100000685027 [0,0,0,0,0,0|3,0,0]=3 712 B13R0.54 CCCCOCCOCCCC(=O)C 34a_100000759063_100000743108 [0,0,0,0,0,0|3,0,0]=3 713 B13R0.54 CCCCOCCOCCCC(=O)C 7a_100000210238_100011215641 [0,0,0,0,0,0|3,0,0]=3 714 B13R0.54 CCCCOCCOCCCC(=O)C 7a_100000759063_100000743108 [0,0,0,0,0,0|3,0,0]=3 715 B13R0.54 CCCCOCCOCCCC(=O)N 34a_100000210238_100102525003 [0,0,0,0,0,0|3,0,0]=3 716 B13R0.54 CCCCOCCOCCCC(=O)N 7a_100000210238_100102525003 [0,0,0,0,0,0|3,0,0]=3 717 B13R0.54 CCCCOCCOCCC[N+](=O)[O-] 34a_200000037920_100000743108 [0,0,0,0,0,0|4,0,0]=4 718 B13R0.54 CCCCOCCOCCNC(=O)C 34a_100000158858_100000743108 [0,0,0,0,0,0|4,0,0]=4 719 B13R0.54 CCCCOCCOCCNC(=O)C 7a_100000210238_100000189650 [0,0,0,0,0,0|4,0,0]=4 720 B13R0.54 CCCCOCCOCCNC(=O)N 34a_100000181757_100000743108 [0,0,0,0,0,0|4,0,0]=4 721 B13R0.54 CCCCOCCOCCNC(=O)N 7a_100000210238_200000034859 [0,0,0,0,0,0|4,0,0]=4 722 B13R0.54 CCCCOCCOCCOC(=O)C 34a_100000210227_200000083610 [0,0,0,0,0,0|4,0,0]=4 723 B13R0.54 CCCCOCCOCCOC(=O)C 34a_100000210238_100009814007 [0,0,0,0,0,0|4,0,0]=4 724 B13R0.54 CCCCOCCOCCOC(=O)C 7a_100000210227_200000083610 [0,0,0,0,0,0|4,0,0]=4 725 B13R0.54 CCCCOCCOCCOC(=O)C 7a_100000210238_100009814007 [0,0,0,0,0,0|4,0,0]=4 726 B13R0.54 CCCCOCCOCCOC(=O)N 34a_100000210238_200011214921 [0,0,0,0,0,0|4,0,0]=4 727 B13R0.54 CCCCOCCOCCOC(=O)N 7a_100000210238_200011214921 [0,0,0,0,0,0|4,0,0]=4 728 B13R0.54 CCCCOCCOCCOC(=O)N 7a_100000766696_100000743108 [0,0,0,0,0,0|4,0,0]=4 729 B13R0.54 CCCCOCCSCCCC(=O)C 62a_100000743108_100011215641 [0,0,0,0,0,0|3,0,0]=3 730 B13R0.54 CCCCOCCSCCCC(=O)C 62a_100011215641_100000743108 [0,0,0,0,0,0|3,0,0]=3 731 B13R0.54 CCCCOCCSCCCC(=O)N 62a_100000743108_100102525003 [0,0,0,0,0,0|3,0,0]=3 732 B13R0.54 CCCCOCCSCCCC(=O)N 62a_100102525003_100000743108 [0,0,0,0,0,0|3,0,0]=3 733 B13R0.54 CCCCOCCSCCNC(=O)C 62a_100000189650_100000743108 [0,0,0,0,0,0|4,0,0]=4 734 B13R0.54 CCCCOCCSCCNC(=O)C 62a_100000743108_100000189650 [0,0,0,0,0,0|4,0,0]=4 735 B13R0.54 CCCCOCCSCCNC(=O)N 62a_100000743108_200000034859 [0,0,0,0,0,0|4,0,0]=4 736 B13R0.54 CCCCOCCSCCNC(=O)N 62a_200000034859_100000743108 [0,0,0,0,0,0|4,0,0]=4 737 B13R0.54 CCCCOCCSCCOC(=O)C 62a_100000743108_100009814007 [0,0,0,0,0,0|4,0,0]=4 738 B13R0.54 CCCCOCCSCCOC(=O)C 62a_100009814007_100000743108 [0,0,0,0,0,0|4,0,0]=4 739 B13R0.54 CCCCOCCSCCOC(=O)N 62a_100000743108_200011214921 [0,0,0,0,0,0|4,0,0]=4 740 B13R0.54 CCCCOCCSCCOC(=O)N 62a_200011214921_100000743108 [0,0,0,0,0,0|4,0,0]=4 741 B13R0.54 CCCCOCNCCCCC(=O)N 34a_100000696515_100011995733 [0,0,0,0,0,0|3,0,0]=3 742 B13R0.54 CCCCOCNCCCNC(=O)C 34a_100000736810_100011995733 [0,0,0,0,0,0|4,0,0]=4 743 B13R0.54 CCCCOCNCCOCC(=O)O 269956a_100000700818_100011995733 [0,0,0,0,0,0|4,0,0]=4 744 B13R0.54 CCCCOCOCCCCC(=O)N 34a_100012022536_100011995733 [0,0,0,0,0,0|3,0,0]=3 745 B13R0.54 CCCCOCOCCCC[N+](=O)[O-] 34a_200015379883_100011995733 [0,0,0,0,0,0|4,0,0]=4 746 B13R0.54 CCCCOCOCCCNC(=O)C 34a_100000752032_100011995733 [0,0,0,0,0,0|4,0,0]=4 747 B13R0.54 CCCCOCSCCCCC(=O)C 62a_100000735457_100011995733 [0,0,0,0,0,0|3,0,0]=3 748 B13R0.54 CCCCOCSCCCCC(=O)C 62a_100011995733_100000735457 [0,0,0,0,0,0|3,0,0]=3 749 B13R0.54 CCCCOCSCCCOC(=O)C 62a_100000042594_100011995733 [0,0,0,0,0,0|4,0,0]=4 750 B13R0.54 CCCCOCSCCCOC(=O)C 62a_100011995733_100000042594 [0,0,0,0,0,0|4,0,0]=4 751 B13R0.54 CCCCOCSCCCSC(=O)C 62a_100000038929_100011995733 [0,0,0,0,0,0|4,0,0]=4 752 B13R0.54 CCCCOCSCCCSC(=O)C 62a_100011995733_100000038929 [0,0,0,0,0,0|4,0,0]=4 753 B13R0.54 CCCCOCSCCOCC(=O)N 62a_100000076697_100011995733 [0,0,0,0,0,0|4,0,0]=4 754 B13R0.54 CCCCOCSCCOCC(=O)N 62a_100011995733_100000076697 [0,0,0,0,0,0|4,0,0]=4 755 B13R0.54 CCCCSCCCCCCB(O)O 62a_100000210211_100009817187 [0,0,0,0,0,0|3,0,1]=4 756 B13R0.54 CCCCSCCCCCCB(O)O 62a_100009817187_100000210210 [0,0,0,0,0,0|3,0,1]=4 757 B13R0.54 CCCCSCCCCCOC(=O)C 62a_100000033007_100000210210 [0,0,0,0,0,0|3,0,0]=3 758 B13R0.54 CCCCSCCCCCOC(=O)C 62a_100000210211_100000033007 [0,0,0,0,0,0|3,0,0]=3 759 B13R0.54 CCCCSCCNCCNC(=O)C 2230a_100025743550_100000189650 [0,0,0,0,0,0|4,0,0]=4 760 B13R0.54 CCCCSCCNCCNC(=O)N 2230a_100025743550_200000034859 [0,0,0,0,0,0|4,0,0]=4 761 B13R0.54 CCCCSCCOCCCC(=O)C 34a_200000230436_100000685027 [0,0,0,0,0,0|3,0,0]=3 762 B13R0.54 CCCCSCCOCCCC(=O)C 7a_200000230436_100011215641 [0,0,0,0,0,0|3,0,0]=3 763 B13R0.54 CCCCSCCOCCCC(=O)N 34a_200000230436_100102525003 [0,0,0,0,0,0|3,0,0]=3 764 B13R0.54 CCCCSCCOCCCC(=O)N 7a_200000230436_100102525003 [0,0,0,0,0,0|3,0,0]=3 765 B13R0.54 CCCCSCCOCCNC(=O)C 7a_200000230436_100000189650 [0,0,0,0,0,0|4,0,0]=4 766 B13R0.54 CCCCSCCOCCNC(=O)N 7a_200000230436_200000034859 [0,0,0,0,0,0|4,0,0]=4 767 B13R0.54 CCCCSCCOCCOC(=O)C 34a_200000230436_100009814007 [0,0,0,0,0,0|4,0,0]=4 768 B13R0.54 CCCCSCCOCCOC(=O)C 62a_100000210211_200000083610 [0,0,0,0,0,0|4,0,0]=4 769 B13R0.54 CCCCSCCOCCOC(=O)C 62a_200000083610_100000210210 [0,0,0,0,0,0|4,0,0]=4 770 B13R0.54 CCCCSCCOCCOC(=O)C 7a_200000230436_100009814007 [0,0,0,0,0,0|4,0,0]=4 771 B13R0.54 CCCCSCCOCCOC(=O)N 34a_200000230436_200011214921 [0,0,0,0,0,0|4,0,0]=4 772 B13R0.54 CCCCSCCOCCOC(=O)N 7a_200000230436_200011214921 [0,0,0,0,0,0|4,0,0]=4 773 B13R0.54 CCCNCCCCCCNC(=O)C 2230a_200011996284_100000210303 [0,0,0,0,0,0|3,0,0]=3 774 B13R0.54 CCCNCCCCCCNC(=O)C 34a_200011996284_100000210303 [0,0,0,0,0,0|3,0,0]=3 775 B13R0.54 CCCNCCOCCOCC(=O)O 269956a_100009854275_100000210207 [0,0,0,0,0,0|4,0,0]=4 776 B13R0.54 CCCOCCCCCCCC(C)C 34a_200000210741_100000210303 [0,0,0,0,0,0|3,0,1]=4 777 B13R0.54 CCCOCCCCCCCC(C)C 7a_200000210741_100000210303 [0,0,0,0,0,0|3,0,1]=4 778 B13R0.54 CCCOCCCNCCCC(=O)C 34a_100011217757_100000685027 [0,0,0,0,0,0|3,0,0]=3 779 B13R0.54 CCCOCCCNCCCC(=O)N 34a_100011217757_100102525003 [0,0,0,0,0,0|3,0,0]=3 780 B13R0.54 CCCOCCCNCCNC(=O)C 2230a_100011217757_100000189650 [0,0,0,0,0,0|4,0,0]=4 781 B13R0.54 CCCOCCCNCCNC(=O)N 2230a_100011217757_200000034859 [0,0,0,0,0,0|4,0,0]=4 782 B13R0.54 CCCOCCCNCCOC(=O)C 34a_100011217757_100009814007 [0,0,0,0,0,0|4,0,0]=4 783 B13R0.54 CCCOCCCNCCOC(=O)N 34a_100011217757_200011214921 [0,0,0,0,0,0|4,0,0]=4 784 B13R0.54 CCCOCCNCCCCC(=O)C 34a_100161115042_100009817362 [0,0,0,0,0,0|3,0,0]=3 785 B13R0.54 CCCOCCNCCCCC(=O)N 34a_100000696515_100011215938 [0,0,0,0,0,0|3,0,0]=3 786 B13R0.54 CCCOCCNCCCNC(=O)C 34a_100000736810_100011215938 [0,0,0,0,0,0|4,0,0]=4 787 B13R0.54 CCCOCCNCCCOC(=O)C 34a_100161115042_100000042594 [0,0,0,0,0,0|4,0,0]=4 788 B13R0.54 CCCOCCNCCCSC(=O)C 2230a_100161115042_100000038929 [0,0,0,0,0,0|4,0,0]=4 789 B13R0.54 CCCOCCNCCCSC(=O)C 34a_100161115042_100000038929 [0,0,0,0,0,0|4,0,0]=4 790 B13R0.54 CCCOCCNCCOCC(=O)N 2230a_100161115042_100000076697 [0,0,0,0,0,0|4,0,0]=4 791 B13R0.54 CCCOCCNCCOCC(=O)N 34a_100161115042_100000076697 [0,0,0,0,0,0|4,0,0]=4 792 B13R0.54 CCCOCCNCCOCC(=O)O 269956a_100000700818_100011215938 [0,0,0,0,0,0|4,0,0]=4 793 B13R0.54 CCCOCCOCCCCC(=O)C 34a_100000752267_100009817362 [0,0,0,0,0,0|3,0,0]=3 794 B13R0.54 CCCOCCOCCCCC(=O)C 7a_100000752267_100000735457 [0,0,0,0,0,0|3,0,0]=3 795 B13R0.54 CCCOCCOCCCCC(=O)N 34a_100012022536_100011215938 [0,0,0,0,0,0|3,0,0]=3 796 B13R0.54 CCCOCCOCCCCC(=O)N 7a_100012022536_100011215938 [0,0,0,0,0,0|3,0,0]=3 797 B13R0.54 CCCOCCOCCCC[N+](=O)[O-] 34a_200015379883_100011215938 [0,0,0,0,0,0|4,0,0]=4 798 B13R0.54 CCCOCCOCCCC[N+](=O)[O-] 7a_200015379883_100011215938 [0,0,0,0,0,0|4,0,0]=4 799 B13R0.54 CCCOCCOCCCNC(=O)C 34a_100000752032_100011215938 [0,0,0,0,0,0|4,0,0]=4 800 B13R0.54 CCCOCCOCCCOC(=O)C 34a_100000752267_100000042594 [0,0,0,0,0,0|4,0,0]=4 801 B13R0.54 CCCOCCOCCCOC(=O)C 7a_100000752267_100000042594 [0,0,0,0,0,0|4,0,0]=4 802 B13R0.54 CCCOCCOCCCSC(=O)C 34a_100000752267_100000038929 [0,0,0,0,0,0|4,0,0]=4 803 B13R0.54 CCCOCCOCCCSC(=O)C 7a_100000752267_100000038929 [0,0,0,0,0,0|4,0,0]=4 804 B13R0.54 CCCOCCOCCNCC(=O)N 2230a_200011904461_100000747473 [0,0,0,0,0,0|4,0,0]=4 805 B13R0.54 CCCOCCOCCNCC(=O)N 34a_200011904461_100000187820 [0,0,0,0,0,0|4,0,0]=4 806 B13R0.54 CCCOCCOCCNCC(=O)[O-] 34a_200011904461_100020667443 [0,0,0,0,0,0|4,0,0]=4 807 B13R0.54 CCCOCCOCCOCC(=O)N 34a_100000752267_100000076697 [0,0,0,0,0,0|4,0,0]=4 808 B13R0.54 CCCOCCOCCOCC(=O)N 7a_100000752267_100000076697 [0,0,0,0,0,0|4,0,0]=4 809 B13R0.54 CCCOCCSCCCCC(=O)C 62a_100000735457_100011215938 [0,0,0,0,0,0|3,0,0]=3 810 B13R0.54 CCCOCCSCCCCC(=O)C 62a_100011215938_100000735457 [0,0,0,0,0,0|3,0,0]=3 811 B13R0.54 CCCOCCSCCCOC(=O)C 62a_100000042594_100011215938 [0,0,0,0,0,0|4,0,0]=4 812 B13R0.54 CCCOCCSCCCOC(=O)C 62a_100011215938_100000042594 [0,0,0,0,0,0|4,0,0]=4 813 B13R0.54 CCCOCCSCCCSC(=O)C 62a_100000038929_100011215938 [0,0,0,0,0,0|4,0,0]=4 814 B13R0.54 CCCOCCSCCCSC(=O)C 62a_100011215938_100000038929 [0,0,0,0,0,0|4,0,0]=4 815 B13R0.54 CCCOCCSCCOCC(=O)N 62a_100000076697_100011215938 [0,0,0,0,0,0|4,0,0]=4 816 B13R0.54 CCCOCCSCCOCC(=O)N 62a_100011215938_100000076697 [0,0,0,0,0,0|4,0,0]=4 817 B13R0.54 CCCSCCNCCCSC(=O)C 2230a_100020603323_100000038929 [0,0,0,0,0,0|4,0,0]=4 818 B13R0.54 CCCSCCNCCOCC(=O)N 2230a_100020603323_100000076697 [0,0,0,0,0,0|4,0,0]=4 819 B13R0.54 CCCSCCOCCCCC(=O)C 34a_200000230433_100009817362 [0,0,0,0,0,0|3,0,0]=3 820 B13R0.54 CCCSCCOCCCCC(=O)C 7a_200000230433_100000735457 [0,0,0,0,0,0|3,0,0]=3 821 B13R0.54 CCCSCCOCCCOC(=O)C 34a_200000230433_100000042594 [0,0,0,0,0,0|4,0,0]=4 822 B13R0.54 CCCSCCOCCCOC(=O)C 7a_200000230433_100000042594 [0,0,0,0,0,0|4,0,0]=4 823 B13R0.54 CCCSCCOCCCSC(=O)C 34a_200000230433_100000038929 [0,0,0,0,0,0|4,0,0]=4 824 B13R0.54 CCCSCCOCCCSC(=O)C 7a_200000230433_100000038929 [0,0,0,0,0,0|4,0,0]=4 825 B13R0.54 CCCSCCOCCOCC(=O)N 34a_200000230433_100000076697 [0,0,0,0,0,0|4,0,0]=4 826 B13R0.54 CCCSCCOCCOCC(=O)N 7a_200000230433_100000076697 [0,0,0,0,0,0|4,0,0]=4 827 B13R0.54 CCOCCCNCCCCC(=O)C 34a_100000210961_100009817362 [0,0,0,0,0,0|3,0,0]=3 828 B13R0.54 CCOCCCNCCCCC(=O)N 34a_100000696515_100012232248 [0,0,0,0,0,0|3,0,0]=3 829 B13R0.54 CCOCCCNCCCNC(=O)C 34a_100000736810_100012232248 [0,0,0,0,0,0|4,0,0]=4 830 B13R0.54 CCOCCCNCCCOC(=O)C 34a_100000210961_100000042594 [0,0,0,0,0,0|4,0,0]=4 831 B13R0.54 CCOCCCNCCCSC(=O)C 2230a_100000210961_100000038929 [0,0,0,0,0,0|4,0,0]=4 832 B13R0.54 CCOCCCNCCCSC(=O)C 34a_100000210961_100000038929 [0,0,0,0,0,0|4,0,0]=4 833 B13R0.54 CCOCCCNCCOCC(=O)N 2230a_100000210961_100000076697 [0,0,0,0,0,0|4,0,0]=4 834 B13R0.54 CCOCCCNCCOCC(=O)N 34a_100000210961_100000076697 [0,0,0,0,0,0|4,0,0]=4 835 B13R0.54 CCOCCCNCCOCC(=O)O 269956a_100000700818_100012232248 [0,0,0,0,0,0|4,0,0]=4 836 B13R0.54 CCOCCCOCCCCC(=O)C 34a_100000757476_100009817362 [0,0,0,0,0,0|3,0,0]=3 837 B13R0.54 CCOCCCOCCCCC(=O)C 7a_100000757476_100000735457 [0,0,0,0,0,0|3,0,0]=3 838 B13R0.54 CCOCCCOCCCCC(=O)N 34a_100012022536_100012232248 [0,0,0,0,0,0|3,0,0]=3 839 B13R0.54 CCOCCCOCCCCC(=O)N 7a_100012022536_100012232248 [0,0,0,0,0,0|3,0,0]=3 840 B13R0.54 CCOCCCOCCCC[N+](=O)[O-] 34a_200015379883_100012232248 [0,0,0,0,0,0|4,0,0]=4 841 B13R0.54 CCOCCCOCCCC[N+](=O)[O-] 7a_200015379883_100012232248 [0,0,0,0,0,0|4,0,0]=4 842 B13R0.54 CCOCCCOCCCNC(=O)C 34a_100000752032_100012232248 [0,0,0,0,0,0|4,0,0]=4 843 B13R0.54 CCOCCCOCCCOC(=O)C 34a_100000757476_100000042594 [0,0,0,0,0,0|4,0,0]=4 844 B13R0.54 CCOCCCOCCCOC(=O)C 7a_100000757476_100000042594 [0,0,0,0,0,0|4,0,0]=4 845 B13R0.54 CCOCCCOCCCSC(=O)C 34a_100000757476_100000038929 [0,0,0,0,0,0|4,0,0]=4 846 B13R0.54 CCOCCCOCCCSC(=O)C 7a_100000757476_100000038929 [0,0,0,0,0,0|4,0,0]=4 847 B13R0.54 CCOCCCOCCOCC(=O)N 34a_100000757476_100000076697 [0,0,0,0,0,0|4,0,0]=4 848 B13R0.54 CCOCCCOCCOCC(=O)N 7a_100000757476_100000076697 [0,0,0,0,0,0|4,0,0]=4 849 B13R0.54 CCOCCCSCCCCC(=O)C 62a_100000735457_100012232248 [0,0,0,0,0,0|3,0,0]=3 850 B13R0.54 CCOCCCSCCCCC(=O)C 62a_100012232248_100000735457 [0,0,0,0,0,0|3,0,0]=3 851 B13R0.54 CCOCCCSCCCOC(=O)C 62a_100000042594_100012232248 [0,0,0,0,0,0|4,0,0]=4 852 B13R0.54 CCOCCCSCCCOC(=O)C 62a_100012232248_100000042594 [0,0,0,0,0,0|4,0,0]=4 853 B13R0.54 CCOCCCSCCCSC(=O)C 62a_100000038929_100012232248 [0,0,0,0,0,0|4,0,0]=4 854 B13R0.54 CCOCCCSCCCSC(=O)C 62a_100012232248_100000038929 [0,0,0,0,0,0|4,0,0]=4 855 B13R0.54 CCOCCCSCCOCC(=O)N 62a_100000076697_100012232248 [0,0,0,0,0,0|4,0,0]=4 856 B13R0.54 CCOCCCSCCOCC(=O)N 62a_100012232248_100000076697 [0,0,0,0,0,0|4,0,0]=4 857 B13R0.54 CCOCCNCCCCCC(=O)N 2230a_102516460346_100009817443 [0,0,0,0,0,0|3,0,0]=3 858 B13R0.54 CCOCCNCCCCCC(=O)N 34a_102516460346_100009817443 [0,0,0,0,0,0|3,0,0]=3 859 B13R0.54 CCOCCNCCCCNC(=O)C 2230a_200011368371_100011215890 [0,0,0,0,0,0|4,0,0]=4 860 B13R0.54 CCOCCNCCCCNC(=O)C 34a_200011368371_100000210147 [0,0,0,0,0,0|4,0,0]=4 861 B13R0.54 CCOCCNCCCCOC(=O)C 34a_102516460346_100000033659 [0,0,0,0,0,0|4,0,0]=4 862 B13R0.54 CCOCCNCCCCSC(=O)C 2230a_102516460346_200010402107 [0,0,0,0,0,0|4,0,0]=4 863 B13R0.54 CCOCCNCCCCSC(=O)C 34a_102516460346_200010402107 [0,0,0,0,0,0|4,0,0]=4 864 B13R0.54 CCOCCOCCCCCC(=O)N 34a_100000123541_100000210147 [0,0,0,0,0,0|3,0,0]=3 865 B13R0.54 CCOCCOCCCCCC(=O)N 34a_100000210136_100009817443 [0,0,0,0,0,0|3,0,0]=3 866 B13R0.54 CCOCCOCCCCCC(=O)N 7a_100000123541_100011215890 [0,0,0,0,0,0|3,0,0]=3 867 B13R0.54 CCOCCOCCCCCC(=O)N 7a_100000210136_100009817443 [0,0,0,0,0,0|3,0,0]=3 868 B13R0.54 CCOCCOCCCCCC(=O)[O-] 7a_100102619762_100011215890 [0,0,0,0,0,0|3,0,0]=3 869 B13R0.54 CCOCCOCCCCOC(=O)C 34a_100000073216_100000210147 [0,0,0,0,0,0|4,0,0]=4 870 B13R0.54 CCOCCOCCCCOC(=O)C 34a_100000210136_100000033659 [0,0,0,0,0,0|4,0,0]=4 871 B13R0.54 CCOCCOCCCCOC(=O)C 7a_100000073216_100011215890 [0,0,0,0,0,0|4,0,0]=4 872 B13R0.54 CCOCCOCCCCOC(=O)C 7a_100000210136_100000033659 [0,0,0,0,0,0|4,0,0]=4 873 B13R0.54 CCOCCOCCCCSC(=O)C 34a_100000210136_200010402107 [0,0,0,0,0,0|4,0,0]=4 874 B13R0.54 CCOCCOCCCCSC(=O)C 7a_100000210136_200010402107 [0,0,0,0,0,0|4,0,0]=4 875 B13R0.54 CCOCCOCCNCCC(=O)N 2230a_100102712874_100000744528 [0,0,0,0,0,0|4,0,0]=4 876 B13R0.54 CCOCCOCCNCCC(=O)N 34a_100102712874_100000731001 [0,0,0,0,0,0|4,0,0]=4 877 B13R0.54 CCOCCOCCOCCC(=O)C 34a_100000759926_100011211534 [0,0,0,0,0,0|4,0,0]=4 878 B13R0.54 CCOCCOCCOCCC(=O)C 7a_100000210240_100000053229 [0,0,0,0,0,0|4,0,0]=4 879 B13R0.54 CCOCCOCCOCCC(=O)C 7a_100000759926_100011211534 [0,0,0,0,0,0|4,0,0]=4 880 B13R0.54 CCOCCOCCOCCC(=O)N 34a_100000210240_100000731001 [0,0,0,0,0,0|4,0,0]=4 881 B13R0.54 CCOCCOCCOCCC(=O)N 34a_100000757172_100011211534 [0,0,0,0,0,0|4,0,0]=4 882 B13R0.54 CCOCCOCCOCCC(=O)N 7a_100000210240_100000744528 [0,0,0,0,0,0|4,0,0]=4 883 B13R0.54 CCOCCOCCOCCC(=O)N 7a_100000757172_100011211534 [0,0,0,0,0,0|4,0,0]=4 884 B13R0.54 CCOCCOCCSCCC(=O)C 62a_100000053229_100011211534 [0,0,0,0,0,0|4,0,0]=4 885 B13R0.54 CCOCCOCCSCCC(=O)C 62a_100011211534_100000053229 [0,0,0,0,0,0|4,0,0]=4 886 B13R0.54 CCOCCOCCSCCC(=O)N 62a_100000744528_100011211534 [0,0,0,0,0,0|4,0,0]=4 887 B13R0.54 CCOCCOCCSCCC(=O)N 62a_100011211534_100000744528 [0,0,0,0,0,0|4,0,0]=4 888 B13R0.54 CCOCCSCCCCCC(=O)N 62a_100000210147_100009817443 [0,0,0,0,0,0|3,0,0]=3 889 B13R0.54 CCOCCSCCCCCC(=O)N 62a_100009817443_100011215890 [0,0,0,0,0,0|3,0,0]=3 890 B13R0.54 CCOCCSCCCCOC(=O)C 62a_100000033659_100011215890 [0,0,0,0,0,0|4,0,0]=4 891 B13R0.54 CCOCCSCCCCOC(=O)C 62a_100000210147_100000033659 [0,0,0,0,0,0|4,0,0]=4 892 B13R0.54 CCOCCSCCCCSC(=O)C 62a_100000210147_200010402107 [0,0,0,0,0,0|4,0,0]=4 893 B13R0.54 CCOCCSCCCCSC(=O)C 62a_200010402107_100011215890 [0,0,0,0,0,0|4,0,0]=4 894 B13R0.54 CCOCSCCCCCOC(=O)C 62a_100000033007_100000739092 [0,0,0,0,0,0|4,0,0]=4 895 B13R0.54 CCOCSCCCCCOC(=O)C 62a_100000739092_100000033007 [0,0,0,0,0,0|4,0,0]=4 896 B13R0.54 CCSCCCOCCCCC(=O)C 34a_100011216438_100009817362 [0,0,0,0,0,0|3,0,0]=3 897 B13R0.54 CCSCCCOCCCCC(=O)C 7a_100011216438_100000735457 [0,0,0,0,0,0|3,0,0]=3 898 B13R0.54 CCSCCCOCCCOC(=O)C 34a_100011216438_100000042594 [0,0,0,0,0,0|4,0,0]=4 899 B13R0.54 CCSCCCOCCCOC(=O)C 7a_100011216438_100000042594 [0,0,0,0,0,0|4,0,0]=4 900 B13R0.54 CCSCCCOCCCSC(=O)C 34a_100011216438_100000038929 [0,0,0,0,0,0|4,0,0]=4 901 B13R0.54 CCSCCCOCCCSC(=O)C 7a_100011216438_100000038929 [0,0,0,0,0,0|4,0,0]=4 902 B13R0.54 CCSCCCOCCOCC(=O)N 34a_100011216438_100000076697 [0,0,0,0,0,0|4,0,0]=4 903 B13R0.54 CCSCCCOCCOCC(=O)N 7a_100011216438_100000076697 [0,0,0,0,0,0|4,0,0]=4 904 B13R0.54 CCSCCNCCCCCC(=O)N 2230a_100000106463_100009817443 [0,0,0,0,0,0|3,0,0]=3 905 B13R0.54 CCSCCNCCCCNC(=O)C 2230a_200011368371_100000757381 [0,0,0,0,0,0|4,0,0]=4 906 B13R0.54 CCSCCNCCCCNC(=O)C 34a_200011368371_100000757381 [0,0,0,0,0,0|4,0,0]=4 907 B13R0.54 CCSCCNCCCCSC(=O)C 2230a_100000106463_200010402107 [0,0,0,0,0,0|4,0,0]=4 908 B13R0.54 CCSCCOCCCCCC(=O)N 34a_100000123541_100000757381 [0,0,0,0,0,0|3,0,0]=3 909 B13R0.54 CCSCCOCCCCCC(=O)N 34a_100000212035_100009817443 [0,0,0,0,0,0|3,0,0]=3 910 B13R0.54 CCSCCOCCCCCC(=O)N 7a_100000123541_100000757381 [0,0,0,0,0,0|3,0,0]=3 911 B13R0.54 CCSCCOCCCCCC(=O)N 7a_100000212035_100009817443 [0,0,0,0,0,0|3,0,0]=3 912 B13R0.54 CCSCCOCCCCCC(=O)[O-] 7a_100102619762_100000757381 [0,0,0,0,0,0|3,0,0]=3 913 B13R0.54 CCSCCOCCCCOC(=O)C 34a_100000073216_100000757381 [0,0,0,0,0,0|4,0,0]=4 914 B13R0.54 CCSCCOCCCCOC(=O)C 34a_100000212035_100000033659 [0,0,0,0,0,0|4,0,0]=4 915 B13R0.54 CCSCCOCCCCOC(=O)C 7a_100000073216_100000757381 [0,0,0,0,0,0|4,0,0]=4 916 B13R0.54 CCSCCOCCCCOC(=O)C 7a_100000212035_100000033659 [0,0,0,0,0,0|4,0,0]=4 917 B13R0.54 CCSCCOCCCCSC(=O)C 34a_100000212035_200010402107 [0,0,0,0,0,0|4,0,0]=4 918 B13R0.54 CCSCCOCCCCSC(=O)C 7a_100000212035_200010402107 [0,0,0,0,0,0|4,0,0]=4 919 B13R0.54 CCSCCSCCCCCC(=O)N 62a_100000757381_100009817443 [0,0,0,0,0,0|3,0,0]=3 920 B13R0.54 CCSCCSCCCCCC(=O)N 62a_100009817443_100000757381 [0,0,0,0,0,0|3,0,0]=3 921 B13R0.54 CCSCCSCCCCOC(=O)C 62a_100000033659_100000757381 [0,0,0,0,0,0|4,0,0]=4 922 B13R0.54 CCSCCSCCCCOC(=O)C 62a_100000757381_100000033659 [0,0,0,0,0,0|4,0,0]=4 923 B13R0.54 CCSCCSCCCCSC(=O)C 62a_100000757381_200010402107 [0,0,0,0,0,0|4,0,0]=4 924 B13R0.54 CCSCCSCCCCSC(=O)C 62a_200010402107_100000757381 [0,0,0,0,0,0|4,0,0]=4 925 B13R0.54 CN(C)CCCCCCCCCCO 2230a_100102631434_100009813290 [0,0,0,0,0,0|4,0,0]=4 926 B13R0.54 CN(C)CCCCCCCCCCO 269982a_100102631434_100009813290 [0,0,0,0,0,0|4,0,0]=4 927 B13R0.54 CNCCCCCOCCCC(=O)C 34a_100000722520_100000685027 [0,0,0,0,0,0|3,0,0]=3 928 B13R0.54 CNCCCCCOCCCC(=O)N 34a_100000722520_100102525003 [0,0,0,0,0,0|3,0,0]=3 929 B13R0.54 CNCCCCCOCCOC(=O)C 34a_100000722520_100009814007 [0,0,0,0,0,0|4,0,0]=4 930 B13R0.54 CNCCCCCOCCOC(=O)N 34a_100000722520_200011214921 [0,0,0,0,0,0|4,0,0]=4 931 B13R0.54 CNCCCOCCCCCC(=O)N 34a_100000213112_100009817443 [0,0,0,0,0,0|3,0,0]=3 932 B13R0.54 CNCCCOCCCCOC(=O)C 34a_100000213112_100000033659 [0,0,0,0,0,0|4,0,0]=4 933 B13R0.54 CNCCCOCCCCSC(=O)C 34a_100000213112_200010402107 [0,0,0,0,0,0|4,0,0]=4 934 B13R0.54 CNCCOCCOCCCC(=O)C 34a_100000228057_100000685027 [0,0,0,0,0,0|4,0,0]=4 935 B13R0.54 CNCCOCCOCCCC(=O)N 34a_100000228057_100102525003 [0,0,0,0,0,0|4,0,0]=4 936 B13R0.54 COCCCCCCNOCC(=O)O 269956a_100000106656_100011998445 [0,0,0,0,0,0|4,0,0]=4 937 B13R0.54 COCCCCCCOCCC(=O)C 34a_100000759926_100011998445 [0,0,0,0,0,0|3,0,0]=3 938 B13R0.54 COCCCCCCOCCC(=O)C 7a_100000759926_100011998445 [0,0,0,0,0,0|3,0,0]=3 939 B13R0.54 COCCCCCCOCCC(=O)C 7a_200012092642_100000053229 [0,0,0,0,0,0|3,0,0]=3 940 B13R0.54 COCCCCCCOCCC(=O)N 34a_100000757172_100011998445 [0,0,0,0,0,0|3,0,0]=3 941 B13R0.54 COCCCCCCOCCC(=O)N 34a_200012092642_100000731001 [0,0,0,0,0,0|3,0,0]=3 942 B13R0.54 COCCCCCCOCCC(=O)N 7a_100000757172_100011998445 [0,0,0,0,0,0|3,0,0]=3 943 B13R0.54 COCCCCCCOCCC(=O)N 7a_200012092642_100000744528 [0,0,0,0,0,0|3,0,0]=3 944 B13R0.54 COCCCCCCOCOC(=O)C 34a_200012092642_100009813279 [0,0,0,0,0,0|4,0,0]=4 945 B13R0.54 COCCCCCCSCCC(=O)C 62a_100000053229_100011998445 [0,0,0,0,0,0|3,0,0]=3 946 B13R0.54 COCCCCCCSCCC(=O)C 62a_100011998445_100000053229 [0,0,0,0,0,0|3,0,0]=3 947 B13R0.54 COCCCCCCSCCC(=O)N 62a_100000744528_100011998445 [0,0,0,0,0,0|3,0,0]=3 948 B13R0.54 COCCCCCCSCCC(=O)N 62a_100011998445_100000744528 [0,0,0,0,0,0|3,0,0]=3 949 B13R0.54 COCCCCCCSCOC(=O)C 62a_100000076356_100011998445 [0,0,0,0,0,0|4,0,0]=4 950 B13R0.54 COCCCCCCSCOC(=O)C 62a_100011998445_100000076356 [0,0,0,0,0,0|4,0,0]=4 951 B13R0.54 COCCCCCNCCCC(=O)C 34a_100000747528_100000685027 [0,0,0,0,0,0|3,0,0]=3 952 B13R0.54 COCCCCCNCCCC(=O)N 34a_100000747528_100102525003 [0,0,0,0,0,0|3,0,0]=3 953 B13R0.54 COCCCCCNCCNC(=O)C 2230a_100000747528_100000189650 [0,0,0,0,0,0|4,0,0]=4 954 B13R0.54 COCCCCCNCCNC(=O)N 2230a_100000747528_200000034859 [0,0,0,0,0,0|4,0,0]=4 955 B13R0.54 COCCCCCNCCOC(=O)C 34a_100000747528_100009814007 [0,0,0,0,0,0|4,0,0]=4 956 B13R0.54 COCCCCCNCCOC(=O)N 34a_100000747528_200011214921 [0,0,0,0,0,0|4,0,0]=4 957 B13R0.54 COCCCCNCCCCC(=O)N 34a_100000696515_100000755781 [0,0,0,0,0,0|3,0,0]=3 958 B13R0.54 COCCCCNCCCNC(=O)C 34a_100000736810_100000755781 [0,0,0,0,0,0|4,0,0]=4 959 B13R0.54 COCCCCNCCOCC(=O)O 269956a_100000700818_100000730899 [0,0,0,0,0,0|4,0,0]=4 960 B13R0.54 COCCCCOCCCCC(=O)C 34a_100000740925_100009817362 [0,0,0,0,0,0|3,0,0]=3 961 B13R0.54 COCCCCOCCCCC(=O)N 34a_100012022536_100000755781 [0,0,0,0,0,0|3,0,0]=3 962 B13R0.54 COCCCCOCCCCC(=O)N 7a_100012022536_100000730899 [0,0,0,0,0,0|3,0,0]=3 963 B13R0.54 COCCCCOCCCC[N+](=O)[O-] 34a_200015379883_100000755781 [0,0,0,0,0,0|4,0,0]=4 964 B13R0.54 COCCCCOCCCC[N+](=O)[O-] 7a_200015379883_100000730899 [0,0,0,0,0,0|4,0,0]=4 965 B13R0.54 COCCCCOCCCNC(=O)C 34a_100000752032_100000755781 [0,0,0,0,0,0|4,0,0]=4 966 B13R0.54 COCCCCOCCCOC(=O)C 34a_100000740925_100000042594 [0,0,0,0,0,0|4,0,0]=4 967 B13R0.54 COCCCCOCCCSC(=O)C 34a_100000740925_100000038929 [0,0,0,0,0,0|4,0,0]=4 968 B13R0.54 COCCCCOCCOCC(=O)N 34a_100000740925_100000076697 [0,0,0,0,0,0|4,0,0]=4 969 B13R0.54 COCCCCSCCCCC(=O)C 62a_100000730899_100000735457 [0,0,0,0,0,0|3,0,0]=3 970 B13R0.54 COCCCCSCCCCC(=O)C 62a_100000735457_100000730899 [0,0,0,0,0,0|3,0,0]=3 971 B13R0.54 COCCCCSCCCOC(=O)C 62a_100000042594_100000730899 [0,0,0,0,0,0|4,0,0]=4 972 B13R0.54 COCCCCSCCCOC(=O)C 62a_100000730899_100000042594 [0,0,0,0,0,0|4,0,0]=4 973 B13R0.54 COCCCCSCCCSC(=O)C 62a_100000038929_100000730899 [0,0,0,0,0,0|4,0,0]=4 974 B13R0.54 COCCCCSCCCSC(=O)C 62a_100000730899_100000038929 [0,0,0,0,0,0|4,0,0]=4 975 B13R0.54 COCCCCSCCOCC(=O)N 62a_100000076697_100000730899 [0,0,0,0,0,0|4,0,0]=4 976 B13R0.54 COCCCCSCCOCC(=O)N 62a_100000730899_100000076697 [0,0,0,0,0,0|4,0,0]=4 977 B13R0.54 COCCCNCCCCCC(=O)N 34a_100150723488_100009817443 [0,0,0,0,0,0|3,0,0]=3 978 B13R0.54 COCCCNCCCCNC(=O)C 2230a_200011368371_100000740836 [0,0,0,0,0,0|4,0,0]=4 979 B13R0.54 COCCCNCCCCNC(=O)C 34a_200011368371_100000740836 [0,0,0,0,0,0|4,0,0]=4 980 B13R0.54 COCCCNCCCCOC(=O)C 34a_100150723488_100000033659 [0,0,0,0,0,0|4,0,0]=4 981 B13R0.54 COCCCNCCCCSC(=O)C 34a_100150723488_200010402107 [0,0,0,0,0,0|4,0,0]=4 982 B13R0.54 COCCCOCCCCCC(=O)N 34a_100000123541_100000740836 [0,0,0,0,0,0|3,0,0]=3 983 B13R0.54 COCCCOCCCCCC(=O)N 34a_100000740835_100009817443 [0,0,0,0,0,0|3,0,0]=3 984 B13R0.54 COCCCOCCCCCC(=O)N 7a_100000123541_100000740836 [0,0,0,0,0,0|3,0,0]=3 985 B13R0.54 COCCCOCCCCCC(=O)[O-] 7a_100102619762_100000740836 [0,0,0,0,0,0|3,0,0]=3 986 B13R0.54 COCCCOCCCCOC(=O)C 34a_100000073216_100000740836 [0,0,0,0,0,0|4,0,0]=4 987 B13R0.54 COCCCOCCCCOC(=O)C 34a_100000740835_100000033659 [0,0,0,0,0,0|4,0,0]=4 988 B13R0.54 COCCCOCCCCOC(=O)C 7a_100000073216_100000740836 [0,0,0,0,0,0|4,0,0]=4 989 B13R0.54 COCCCOCCCCSC(=O)C 34a_100000740835_200010402107 [0,0,0,0,0,0|4,0,0]=4 990 B13R0.54 COCCCOCCCOCC(=O)N 34a_200011215475_100000187820 [0,0,0,0,0,0|4,0,0]=4 991 B13R0.54 COCCCOCCCOCC(=O)N 7a_200011215475_100000187820 [0,0,0,0,0,0|4,0,0]=4 992 B13R0.54 COCCCOCCCOCC(=O)[O-] 34a_200011215475_100020667443 [0,0,0,0,0,0|4,0,0]=4 993 B13R0.54 COCCCSCCCCCC(=O)N 62a_100000709357_100009817443 [0,0,0,0,0,0|3,0,0]=3 994 B13R0.54 COCCCSCCCCCC(=O)N 62a_100009817443_100000709357 [0,0,0,0,0,0|3,0,0]=3 995 B13R0.54 COCCCSCCCCOC(=O)C 62a_100000033659_100000709357 [0,0,0,0,0,0|4,0,0]=4 996 B13R0.54 COCCCSCCCCOC(=O)C 62a_100000709357_100000033659 [0,0,0,0,0,0|4,0,0]=4 997 B13R0.54 COCCCSCCCCSC(=O)C 62a_100000709357_200010402107 [0,0,0,0,0,0|4,0,0]=4 998 B13R0.54 COCCCSCCCCSC(=O)C 62a_200010402107_100000709357 [0,0,0,0,0,0|4,0,0]=4 999 B13R0.54 COCCNCCCCCNC(=O)C 2230a_200012022750_100011201679 [0,0,0,0,0,0|4,0,0]=4 1000 B13R0.54 COCCNCCCCCNC(=O)C 34a_200012022750_100011201679 [0,0,0,0,0,0|4,0,0]=4 1001 B13R0.54 COCCNCCCCCOC(=O)C 2230a_100000209980_100009813381 [0,0,0,0,0,0|4,0,0]=4 1002 B13R0.54 COCCOCCCCCOC(=O)C 34a_100000210237_100000033007 [0,0,0,0,0,0|4,0,0]=4 1003 B13R0.54 COCCOCCCNCCC(=O)N 2230a_100000206027_100000744528 [0,0,0,0,0,0|4,0,0]=4 1004 B13R0.54 COCCOCCCNCCC(=O)N 34a_100000206027_100000731001 [0,0,0,0,0,0|4,0,0]=4 1005 B13R0.54 COCCOCCCOCCC(=O)C 34a_100000759926_100011216529 [0,0,0,0,0,0|4,0,0]=4 1006 B13R0.54 COCCOCCCOCCC(=O)C 7a_100000759926_100011216529 [0,0,0,0,0,0|4,0,0]=4 1007 B13R0.54 COCCOCCCOCCC(=O)N 34a_100000757172_100011216529 [0,0,0,0,0,0|4,0,0]=4 1008 B13R0.54 COCCOCCCOCCC(=O)N 7a_100000757172_100011216529 [0,0,0,0,0,0|4,0,0]=4 1009 B13R0.54 COCCOCCCSCCC(=O)C 62a_100000053229_100011216529 [0,0,0,0,0,0|4,0,0]=4 1010 B13R0.54 COCCOCCCSCCC(=O)C 62a_100011216529_100000053229 [0,0,0,0,0,0|4,0,0]=4 1011 B13R0.54 COCCOCCCSCCC(=O)N 62a_100000744528_100011216529 [0,0,0,0,0,0|4,0,0]=4 1012 B13R0.54 COCCOCCCSCCC(=O)N 62a_100011216529_100000744528 [0,0,0,0,0,0|4,0,0]=4 1013 B13R0.54 COCCOCCNCCCC(=O)C 34a_100000745349_100000685027 [0,0,0,0,0,0|4,0,0]=4 1014 B13R0.54 COCCOCCNCCCC(=O)N 34a_100000739312_100000695917 [0,0,0,0,0,0|4,0,0]=4 1015 B13R0.54 COCCOCCNCCCC(=O)N 34a_100000745349_100102525003 [0,0,0,0,0,0|4,0,0]=4 1016 B13R0.54 COCCOCCOCCCC(=O)C 34a_100000759063_100000695917 [0,0,0,0,0,0|4,0,0]=4 1017 B13R0.54 COCCOCCOCCCC(=O)C 34a_100011215163_100000685027 [0,0,0,0,0,0|4,0,0]=4 1018 B13R0.54 COCCOCCOCCCC(=O)C 7a_100000759063_100000695917 [0,0,0,0,0,0|4,0,0]=4 1019 B13R0.54 COCCOCCOCCCC(=O)C 7a_100011215163_100011215641 [0,0,0,0,0,0|4,0,0]=4 1020 B13R0.54 COCCOCCOCCCC(=O)N 34a_100011215163_100102525003 [0,0,0,0,0,0|4,0,0]=4 1021 B13R0.54 COCCOCCOCCCC(=O)N 7a_100011215163_100102525003 [0,0,0,0,0,0|4,0,0]=4 1022 B13R0.54 COCCOCCSCCCC(=O)C 62a_100000695917_100011215641 [0,0,0,0,0,0|4,0,0]=4 1023 B13R0.54 COCCOCCSCCCC(=O)C 62a_100011215641_100000695917 [0,0,0,0,0,0|4,0,0]=4 1024 B13R0.54 COCCOCCSCCCC(=O)N 62a_100000695917_100102525003 [0,0,0,0,0,0|4,0,0]=4 1025 B13R0.54 COCCOCCSCCCC(=O)N 62a_100102525003_100000695917 [0,0,0,0,0,0|4,0,0]=4 1026 B13R0.54 COCCOCSCCCCC(=O)C 62a_100000231047_100000735457 [0,0,0,0,0,0|4,0,0]=4 1027 B13R0.54 COCCOCSCCCCC(=O)C 62a_100000735457_100000231047 [0,0,0,0,0,0|4,0,0]=4 1028 B13R0.54 COCCSCCCCCOC(=O)C 62a_100000033007_100000233755 [0,0,0,0,0,0|4,0,0]=4 1029 B13R0.54 COCCSCCCCCOC(=O)C 62a_100000233755_100000033007 [0,0,0,0,0,0|4,0,0]=4 1030 B13R0.54 COCNCCCCCCNC(=O)C 2230a_200011996284_100000766300 [0,0,0,0,0,0|4,0,0]=4 1031 B13R0.54 CS(=O)CCCNCCCCCCF 2230a_200000753449_100015922095 [0,0,0,0,0,0|4,0,0]=4 1032 B13R0.54 CS(=O)CCCNCCCCCCO 2230a_200000753449_100000766143 [0,0,0,0,0,0|4,0,0]=4 1033 B13R0.54 CSCCCCOCCCCC(=O)C 34a_100011217163_100009817362 [0,0,0,0,0,0|3,0,0]=3 1034 B13R0.54 CSCCCCOCCCCC(=O)C 7a_100011217163_100000735457 [0,0,0,0,0,0|3,0,0]=3 1035 B13R0.54 CSCCCCOCCCOC(=O)C 34a_100011217163_100000042594 [0,0,0,0,0,0|4,0,0]=4 1036 B13R0.54 CSCCCCOCCCOC(=O)C 7a_100011217163_100000042594 [0,0,0,0,0,0|4,0,0]=4 1037 B13R0.54 CSCCCCOCCCSC(=O)C 34a_100011217163_100000038929 [0,0,0,0,0,0|4,0,0]=4 1038 B13R0.54 CSCCCCOCCCSC(=O)C 7a_100011217163_100000038929 [0,0,0,0,0,0|4,0,0]=4 1039 B13R0.54 CSCCCCOCCOCC(=O)N 34a_100011217163_100000076697 [0,0,0,0,0,0|4,0,0]=4 1040 B13R0.54 CSCCCCOCCOCC(=O)N 7a_100011217163_100000076697 [0,0,0,0,0,0|4,0,0]=4 1041 B13R0.54 CSCCCNCCCCCC(=O)N 2230a_100000749238_100009817443 [0,0,0,0,0,0|3,0,0]=3 1042 B13R0.54 CSCCCNCCCCSC(=O)C 2230a_100000749238_200010402107 [0,0,0,0,0,0|4,0,0]=4 1043 B13R0.54 CSCCCOCCCCCC(=O)N 34a_100000690336_100009817443 [0,0,0,0,0,0|3,0,0]=3 1044 B13R0.54 CSCCCOCCCCCC(=O)N 7a_100000690336_100009817443 [0,0,0,0,0,0|3,0,0]=3 1045 B13R0.54 CSCCCOCCCCOC(=O)C 34a_100000690336_100000033659 [0,0,0,0,0,0|4,0,0]=4 1046 B13R0.54 CSCCCOCCCCOC(=O)C 7a_100000690336_100000033659 [0,0,0,0,0,0|4,0,0]=4 1047 B13R0.54 CSCCCOCCCCSC(=O)C 34a_100000690336_200010402107 [0,0,0,0,0,0|4,0,0]=4 1048 B13R0.54 CSCCCOCCCCSC(=O)C 7a_100000690336_200010402107 [0,0,0,0,0,0|4,0,0]=4 1049 B13R0.54 CSCCNCCCCCNC(=O)C 2230a_200012022750_100000751147 [0,0,0,0,0,0|4,0,0]=4 1050 B13R0.54 CSCCNCCCCCNC(=O)C 34a_200012022750_100000212216 [0,0,0,0,0,0|4,0,0]=4 1051 B13R0.54 CSCCNCCCCCOC(=O)C 2230a_100020590264_100009813381 [0,0,0,0,0,0|4,0,0]=4 1052 B13R0.54 CSCCOCCCCCOC(=O)C 34a_100000230434_100000033007 [0,0,0,0,0,0|4,0,0]=4 1053 B13R0.54 CSCCOCCCCCOC(=O)C 7a_100000230434_100000033007 [0,0,0,0,0,0|4,0,0]=4 1054 B13R0.54 CSCCSCCCCCOC(=O)C 62a_100000033007_100000751147 [0,0,0,0,0,0|4,0,0]=4 1055 B13R0.54 CSCCSCCCCCOC(=O)C 62a_100000212216_100000033007 [0,0,0,0,0,0|4,0,0]=4 1056 B13R0.54 CSCNCCCCCCNC(=O)C 2230a_200011996284_100011218213 [0,0,0,0,0,0|4,0,0]=4 1057 B13R0.54 CSCNCCCCCCNC(=O)C 34a_200011996284_100011218213 [0,0,0,0,0,0|4,0,0]=4 1058 B13R0.54 C[C@@H](Cl)COCCCCCCCCO 34a_100016084084_100000033203 [0,0,0,0,0,0|3,0,1]=4 1059 B13R0.54 N#CCCCCCCOCCC(=O)N 7a_100000757172_100009813337 [0,0,0,0,0,0|3,0,1]=4 1060 B13R0.54 N#CCCCCCCSCCC(=O)N 62a_100000744528_100009813337 [0,0,0,0,0,0|3,0,1]=4 1061 B13R0.54 N#CCCCCCCSCCC(=O)N 62a_100009813337_100000744528 [0,0,0,0,0,0|3,0,1]=4 1062 B13R0.54 N#CCCCCCSCCCC(=O)N 62a_100009813376_100102525003 [0,0,0,0,0,0|3,0,1]=4 1063 B13R0.54 N#CCCCCCSCCCC(=O)N 62a_100102525003_100009813376 [0,0,0,0,0,0|3,0,1]=4 1064 B13R0.54 N#CCCCCOCCCCC(=O)N 7a_100012022536_100000211819 [0,0,0,0,0,0|3,0,1]=4 1065 B13R0.54 N#CCCCOCCCCCC(=O)N 7a_100000123541_100000687738 [0,0,0,0,0,0|3,0,1]=4 1066 B13R0.54 N#CCCCOCCCCCC(=O)[O-] 7a_100102619762_100000687738 [0,0,0,0,0,0|3,0,1]=4 1067 B13R0.54 N#CCCCSCCCCCC(=O)N 62a_100000687738_100009817443 [0,0,0,0,0,0|3,0,1]=4 1068 B13R0.54 N#CCCCSCCCCCC(=O)N 62a_100009817443_100000687738 [0,0,0,0,0,0|3,0,1]=4 1069 B13R0.54 NC(=O)CCCCCNCCCCO 2230a_100000750430_100009817443 [0,0,0,0,0,0|3,0,0]=3 1070 B13R0.54 NC(=O)CCCCCNCCCCO 34a_100000750430_100009817443 [0,0,0,0,0,0|3,0,0]=3 1071 B13R0.54 NC(=O)CCCCCOCCCC=O 7a_100000123541_200011292268 [0,0,0,0,0,0|3,0,1]=4 1072 B13R0.54 NC(=O)CCCCCOCCCCBr 34a_100011216708_100009817443 [0,0,0,0,0,0|3,0,0]=3 1073 B13R0.54 NC(=O)CCCCCOCCCCCl 34a_100000210776_100009817443 [0,0,0,0,0,0|3,0,0]=3 1074 B13R0.54 NC(=O)CCCCCOCCCCCl 7a_100000210776_100009817443 [0,0,0,0,0,0|3,0,0]=3 1075 B13R0.54 NC(=O)CCCCCOCCCCF 34a_100000123541_100000729493 [0,0,0,0,0,0|3,0,0]=3 1076 B13R0.54 NC(=O)CCCCCOCCCCF 34a_100011995726_100009817443 [0,0,0,0,0,0|3,0,0]=3 1077 B13R0.54 NC(=O)CCCCCOCCCCF 7a_100000123541_100000729493 [0,0,0,0,0,0|3,0,0]=3 1078 B13R0.54 NC(=O)CCCCCOCCCCF 7a_100011995726_100009817443 [0,0,0,0,0,0|3,0,0]=3 1079 B13R0.54 NC(=O)CCCCCOCCCCI 34a_200012148704_100009817443 [0,0,0,0,0,0|3,0,0]=3 1080 B13R0.54 NC(=O)CCCCCOCCCCO 34a_100000123541_100011216708 [0,0,0,0,0,0|3,0,0]=3 1081 B13R0.54 NC(=O)CCCCCOCCCCO 7a_100000123541_100000210776 [0,0,0,0,0,0|3,0,0]=3 1082 B13R0.54 NC(=O)CCCCCSCCCC=O 62a_100009817443_200011292268 [0,0,0,0,0,0|3,0,1]=4 1083 B13R0.54 NC(=O)CCCCCSCCCC=O 62a_200011292268_100009817443 [0,0,0,0,0,0|3,0,1]=4 1084 B13R0.54 NC(=O)CCCCCSCCCCF 62a_100000729493_100009817443 [0,0,0,0,0,0|3,0,0]=3 1085 B13R0.54 NC(=O)CCCCCSCCCCF 62a_100009817443_100000729493 [0,0,0,0,0,0|3,0,0]=3 1086 B13R0.54 NC(=O)CCCCCSCCCCO 62a_100000210776_100009817443 [0,0,0,0,0,0|3,0,0]=3 1087 B13R0.54 NC(=O)CCCCCSCCCCO 62a_100009817443_100000210776 [0,0,0,0,0,0|3,0,0]=3 1088 B13R0.54 NC(=O)CCCCNCCCCCF 34a_100000696515_100000729378 [0,0,0,0,0,0|3,0,0]=3 1089 B13R0.54 NC(=O)CCCCNCCCCCO 34a_100000696515_100000746330 [0,0,0,0,0,0|3,0,0]=3 1090 B13R0.54 NC(=O)CCCCNCCOCCO 34a_100000696515_100000692535 [0,0,0,0,0,0|4,0,0]=4 1091 B13R0.54 NC(=O)CCCCOCCCCC=O 7a_100012022536_100000139335 [0,0,0,0,0,0|3,0,1]=4 1092 B13R0.54 NC(=O)CCCCOCCCCCF 34a_100012022536_100000729378 [0,0,0,0,0,0|3,0,0]=3 1093 B13R0.54 NC(=O)CCCCOCCCCCF 7a_100012022536_100000729378 [0,0,0,0,0,0|3,0,0]=3 1094 B13R0.54 NC(=O)CCCCOCCCCCO 34a_100012022536_100000746330 [0,0,0,0,0,0|3,0,0]=3 1095 B13R0.54 NC(=O)CCCCOCCCCCO 7a_100012022536_100000746330 [0,0,0,0,0,0|3,0,0]=3 1096 B13R0.54 NC(=O)CCCCOCCOCCO 34a_100012022536_100000692535 [0,0,0,0,0,0|4,0,0]=4 1097 B13R0.54 NC(=O)CCCCOCCOCCO 7a_100012022536_100011215305 [0,0,0,0,0,0|4,0,0]=4 1098 B13R0.54 NC(=O)CCCNCCCCCCF 34a_100000739312_100015922095 [0,0,0,0,0,0|3,0,0]=3 1099 B13R0.54 NC(=O)CCCNCCCCCCO 34a_100000686447_100102525003 [0,0,0,0,0,0|3,0,0]=3 1100 B13R0.54 NC(=O)CCCNCCCCCCO 34a_100000739312_100000766143 [0,0,0,0,0,0|3,0,0]=3 1101 B13R0.54 NC(=O)CCCOCCCCCCBr 34a_100011215345_100102525003 [0,0,0,0,0,0|3,0,0]=3 1102 B13R0.54 NC(=O)CCCOCCCCCCBr 7a_100011215345_100102525003 [0,0,0,0,0,0|3,0,0]=3 1103 B13R0.54 NC(=O)CCCOCCCCCCCl 34a_100000766143_100102525003 [0,0,0,0,0,0|3,0,0]=3 1104 B13R0.54 NC(=O)CCCOCCCCCCCl 7a_100000766143_100102525003 [0,0,0,0,0,0|3,0,0]=3 1105 B13R0.54 NC(=O)CCCOCCCCCCF 34a_100000732779_100102525003 [0,0,0,0,0,0|3,0,0]=3 1106 B13R0.54 NC(=O)CCCOCCCCCCF 7a_100000732779_100102525003 [0,0,0,0,0,0|3,0,0]=3 1107 B13R0.54 NC(=O)CCCSCCCCCC=O 62a_100000139337_100102525003 [0,0,0,0,0,0|3,0,1]=4 1108 B13R0.54 NC(=O)CCCSCCCCCC=O 62a_100102525003_100000139337 [0,0,0,0,0,0|3,0,1]=4 1109 B13R0.54 NC(=O)CCCSCCCCCCF 62a_100015922095_100102525003 [0,0,0,0,0,0|3,0,0]=3 1110 B13R0.54 NC(=O)CCCSCCCCCCF 62a_100102525003_100015922095 [0,0,0,0,0,0|3,0,0]=3 1111 B13R0.54 NC(=O)CCCSCCCCCCO 62a_100000766143_100102525003 [0,0,0,0,0,0|3,0,0]=3 1112 B13R0.54 NC(=O)CCCSCCCCCCO 62a_100102525003_100000766143 [0,0,0,0,0,0|3,0,0]=3 1113 B13R0.54 NC(=O)CCNCCCCCCCO 2230a_100011996573_100000744528 [0,0,0,0,0,0|3,0,0]=3 1114 B13R0.54 NC(=O)CCNCCCCCCCO 34a_100011996573_100000731001 [0,0,0,0,0,0|3,0,0]=3 1115 B13R0.54 NC(=O)CCNCCCOCCCO 2230a_100011310245_100000744528 [0,0,0,0,0,0|4,0,0]=4 1116 B13R0.54 NC(=O)CCNCCCOCCCO 34a_100011310245_100000731001 [0,0,0,0,0,0|4,0,0]=4 1117 B13R0.54 NC(=O)CCOCCCCCCCBr 34a_100000760002_100000731001 [0,0,0,0,0,0|3,0,0]=3 1118 B13R0.54 NC(=O)CCOCCCCCCCBr 7a_100000760002_100000744528 [0,0,0,0,0,0|3,0,0]=3 1119 B13R0.54 NC(=O)CCOCCCCCCCO 34a_100000757172_100000760002 [0,0,0,0,0,0|3,0,0]=3 1120 B13R0.54 NC(=O)CCOCCCCCCCO 7a_100000757172_100000760002 [0,0,0,0,0,0|3,0,0]=3 1121 B13R0.54 NC(=O)CCSCCCCCCCO 62a_100000744528_100000760002 [0,0,0,0,0,0|3,0,0]=3 1122 B13R0.54 NC(=O)CCSCCCCCCCO 62a_100000760002_100000744528 [0,0,0,0,0,0|3,0,0]=3 1123 B13R0.54 NC(=O)CNCCCCCCCCO 2230a_100000711301_100000033203 [0,0,0,0,0,0|3,0,0]=3 1124 B13R0.54 NC(=O)CNCCCCCCCCO 2230a_102515433106_100000747473 [0,0,0,0,0,0|3,0,0]=3 1125 B13R0.54 NC(=O)CNCCCCCCCCO 34a_102515433106_100000187820 [0,0,0,0,0,0|3,0,0]=3 1126 B13R0.54 NC(=O)COCCCCCCCCBr 34a_100009813846_100000187820 [0,0,0,0,0,0|3,0,0]=3 1127 B13R0.54 NC(=O)COCCCCCCCCBr 7a_100009813846_100000187820 [0,0,0,0,0,0|3,0,0]=3 1128 B13R0.54 NC(=O)COCCCCCCCCCl 34a_100000033203_100000187820 [0,0,0,0,0,0|3,0,0]=3 1129 B13R0.54 NC(=O)COCCCCCCCCCl 7a_100000033203_100000187820 [0,0,0,0,0,0|3,0,0]=3 1130 B13R0.54 NC(=O)COCCNCCCCCO 2230a_100000762737_100000076697 [0,0,0,0,0,0|4,0,0]=4 1131 B13R0.54 NC(=O)COCCNCCCCCO 34a_100000762737_100000076697 [0,0,0,0,0,0|4,0,0]=4 1132 B13R0.54 NC(=O)COCCOCCCCCBr 34a_100000746331_100000076697 [0,0,0,0,0,0|4,0,0]=4 1133 B13R0.54 NC(=O)COCCOCCCCCBr 7a_100000746331_100000076697 [0,0,0,0,0,0|4,0,0]=4 1134 B13R0.54 NC(=O)COCCOCCCCCCl 34a_100000746330_100000076697 [0,0,0,0,0,0|4,0,0]=4 1135 B13R0.54 NC(=O)COCCOCCCCCCl 7a_100000746330_100000076697 [0,0,0,0,0,0|4,0,0]=4 1136 B13R0.54 NC(=O)COCCOCCCCCI 34a_200012148887_100000076697 [0,0,0,0,0,0|4,0,0]=4 1137 B13R0.54 NC(=O)COCCOCCCCCI 7a_200012148887_100000076697 [0,0,0,0,0,0|4,0,0]=4 1138 B13R0.54 NC(=O)COCCSCCCCCF 62a_100000076697_100000729378 [0,0,0,0,0,0|4,0,0]=4 1139 B13R0.54 NC(=O)COCCSCCCCCF 62a_100000729378_100000076697 [0,0,0,0,0,0|4,0,0]=4 1140 B13R0.54 NC(=O)COCCSCCCCCO 62a_100000076697_100000746330 [0,0,0,0,0,0|4,0,0]=4 1141 B13R0.54 NC(=O)COCCSCCCCCO 62a_100000746330_100000076697 [0,0,0,0,0,0|4,0,0]=4 1142 B13R0.54 NC(=O)CSCCCCCCCCO 62a_100000033203_100000747473 [0,0,0,0,0,0|3,0,0]=3 1143 B13R0.54 NC(=O)CSCCCCCCCCO 62a_100000747473_100000033203 [0,0,0,0,0,0|3,0,0]=3 1144 B13R0.54 NC(=O)NCCNCCCCCCF 34a_100020590234_100015922095 [0,0,0,0,0,0|4,0,0]=4 1145 B13R0.54 NC(=O)NCCNCCCCCCO 2230a_100000686447_200000034859 [0,0,0,0,0,0|4,0,0]=4 1146 B13R0.54 NC(=O)NCCNCCCCCCO 34a_100020590234_100000766143 [0,0,0,0,0,0|4,0,0]=4 1147 B13R0.54 NC(=O)NCCOCCCCCCBr 7a_100011215345_200000034859 [0,0,0,0,0,0|4,0,0]=4 1148 B13R0.54 NC(=O)NCCOCCCCCCCl 7a_100000766143_200000034859 [0,0,0,0,0,0|4,0,0]=4 1149 B13R0.54 NC(=O)NCCOCCCCCCF 34a_100000181757_100015922095 [0,0,0,0,0,0|4,0,0]=4 1150 B13R0.54 NC(=O)NCCOCCCCCCF 7a_100000732779_200000034859 [0,0,0,0,0,0|4,0,0]=4 1151 B13R0.54 NC(=O)NCCOCCCCCCO 34a_100000181757_100000766143 [0,0,0,0,0,0|4,0,0]=4 1152 B13R0.54 NC(=O)NCCSCCCCCCF 62a_100015922095_200000034859 [0,0,0,0,0,0|4,0,0]=4 1153 B13R0.54 NC(=O)NCCSCCCCCCF 62a_200000034859_100015922095 [0,0,0,0,0,0|4,0,0]=4 1154 B13R0.54 NC(=O)NCCSCCCCCCO 62a_100000766143_200000034859 [0,0,0,0,0,0|4,0,0]=4 1155 B13R0.54 NC(=O)NCCSCCCCCCO 62a_200000034859_100000766143 [0,0,0,0,0,0|4,0,0]=4 1156 B13R0.54 NC(=O)OCCNCCCCCCO 34a_100000686447_200011214921 [0,0,0,0,0,0|4,0,0]=4 1157 B13R0.54 NC(=O)OCCOCCCCCCBr 34a_100011215345_200011214921 [0,0,0,0,0,0|4,0,0]=4 1158 B13R0.54 NC(=O)OCCOCCCCCCBr 7a_100011215345_200011214921 [0,0,0,0,0,0|4,0,0]=4 1159 B13R0.54 NC(=O)OCCOCCCCCCCl 34a_100000766143_200011214921 [0,0,0,0,0,0|4,0,0]=4 1160 B13R0.54 NC(=O)OCCOCCCCCCCl 7a_100000766143_200011214921 [0,0,0,0,0,0|4,0,0]=4 1161 B13R0.54 NC(=O)OCCOCCCCCCF 34a_100000732779_200011214921 [0,0,0,0,0,0|4,0,0]=4 1162 B13R0.54 NC(=O)OCCOCCCCCCF 7a_100000732779_200011214921 [0,0,0,0,0,0|4,0,0]=4 1163 B13R0.54 NC(=O)OCCOCCCCCCF 7a_100000766696_100015922095 [0,0,0,0,0,0|4,0,0]=4 1164 B13R0.54 NC(=O)OCCOCCCCCCO 7a_100000766696_100000766143 [0,0,0,0,0,0|4,0,0]=4 1165 B13R0.54 NC(=O)OCCSCCCCCCF 62a_100015922095_200011214921 [0,0,0,0,0,0|4,0,0]=4 1166 B13R0.54 NC(=O)OCCSCCCCCCF 62a_200011214921_100015922095 [0,0,0,0,0,0|4,0,0]=4 1167 B13R0.54 NC(=O)OCCSCCCCCCO 62a_100000766143_200011214921 [0,0,0,0,0,0|4,0,0]=4 1168 B13R0.54 NC(=O)OCCSCCCCCCO 62a_200011214921_100000766143 [0,0,0,0,0,0|4,0,0]=4 1169 B13R0.54 NCCCCCCCCOCC(=O)N 34a_102515433106_100000187820 [0,0,0,0,0,0|3,0,0]=3 1170 B13R0.54 NCCCCCCCCOCC(=O)[O-] 34a_102515433106_100020667443 [0,0,0,0,0,0|3,0,0]=3 1171 B13R0.54 NCCCCCCCCOC[N+](=O)[O-] 34a_102515433106_100000761209 [0,0,0,0,0,0|4,0,0]=4 1172 B13R0.54 NCCCCCCCOCCC(=O)N 34a_100011996573_100000731001 [0,0,0,0,0,0|3,0,0]=3 1173 B13R0.54 NCCCCCCOCCCC(=O)N 34a_100000686447_100102525003 [0,0,0,0,0,0|3,0,0]=3 1174 B13R0.54 NCCCCCCOCCOC(=O)N 34a_100000686447_200011214921 [0,0,0,0,0,0|4,0,0]=4 1175 B13R0.54 NCCCCCOCCOCC(=O)N 34a_100000762737_100000076697 [0,0,0,0,0,0|4,0,0]=4 1176 B13R0.54 NCCCCOCCCCCC(=O)N 34a_100000750430_100009817443 [0,0,0,0,0,0|3,0,0]=3 1177 B13R0.54 NCCCOCCCOCCC(=O)N 34a_100011310245_100000731001 [0,0,0,0,0,0|4,0,0]=4 1178 B13R0.54 NCCNCCCCCOCC(=O)N 34a_103619048469_100000187820 [0,0,0,0,0,0|4,0,0]=4 1179 B13R0.54 NCCNCCCCCOCC(=O)[O-] 34a_103619048469_100020667443 [0,0,0,0,0,0|4,0,0]=4 1180 B13R0.54 O=C(O)CNCCCCCCCCO 269956a_100016091260_100000033203 [0,0,0,0,0,0|3,0,0]=3 1181 B13R0.54 O=C(O)COCCNCCCCCF 269956a_100000700818_100000729378 [0,0,0,0,0,0|4,0,0]=4 1182 B13R0.54 O=C(O)COCCNCCCCCO 269956a_100000700818_100000746330 [0,0,0,0,0,0|4,0,0]=4 1183 B13R0.54 O=C(O)CONCCCCCCCO 269956a_100000106656_100000760002 [0,0,0,0,0,0|4,0,0]=4 1184 B13R0.54 O=C([O-])CCCCCOCCCCF 7a_100102619762_100000729493 [0,0,0,0,0,0|3,0,0]=3 1185 B13R0.54 O=C([O-])CCCCCOCCCCO 7a_100102619762_100000210776 [0,0,0,0,0,0|3,0,0]=3 1186 B13R0.54 O=C([O-])CNCCCCCCCCO 34a_102515433106_100020667443 [0,0,0,0,0,0|3,0,0]=3 1187 B13R0.54 O=C([O-])COCCCCCCCCBr 34a_100009813846_100020667443 [0,0,0,0,0,0|3,0,0]=3 1188 B13R0.54 O=C([O-])COCCCCCCCCCl 34a_100000033203_100020667443 [0,0,0,0,0,0|3,0,0]=3 1189 B13R0.54 O=C([O-])CSCCCCCCCCO 62a_100000033203_100020667443 [0,0,0,0,0,0|3,0,0]=3 1190 B13R0.54 O=C([O-])CSCCCCCCCCO 62a_100020667443_100000033203 [0,0,0,0,0,0|3,0,0]=3 1191 B13R0.54 O=CCCCOCCCCCC(=O)[O-] 7a_100102619762_200011292268 [0,0,0,0,0,0|3,0,1]=4 1192 B13R0.54 O=[N+]([O-])CCCCOCCCCCF 34a_200015379883_100000729378 [0,0,0,0,0,0|4,0,0]=4 1193 B13R0.54 O=[N+]([O-])CCCCOCCCCCF 7a_200015379883_100000729378 [0,0,0,0,0,0|4,0,0]=4 1194 B13R0.54 O=[N+]([O-])CCCCOCCCCCO 34a_200015379883_100000746330 [0,0,0,0,0,0|4,0,0]=4 1195 B13R0.54 O=[N+]([O-])CCCCOCCCCCO 7a_200015379883_100000746330 [0,0,0,0,0,0|4,0,0]=4 1196 B13R0.54 O=[N+]([O-])CCCOCCCCCCF 34a_200000037920_100015922095 [0,0,0,0,0,0|4,0,0]=4 1197 B13R0.54 O=[N+]([O-])CCCOCCCCCCO 34a_200000037920_100000766143 [0,0,0,0,0,0|4,0,0]=4 1198 B13R0.54 O=[N+]([O-])CNCCCCCCCCO 34a_102515433106_100000761209 [0,0,0,0,0,0|4,0,0]=4 1199 B13R0.54 O=[N+]([O-])COCCCCCCCCBr 34a_100009813846_100000761209 [0,0,0,0,0,0|4,0,0]=4 1200 B13R0.54 O=[N+]([O-])COCCCCCCCCCl 34a_100000033203_100000761209 [0,0,0,0,0,0|4,0,0]=4 1201 B13R0.54 O=[N+]([O-])CSCCCCCCCCO 62a_100000033203_100000761209 [0,0,0,0,0,0|4,0,0]=4 1202 B12R0.5 C#CCCCCCCCCCOC 34a_100000034437_200000210301 [1,0,0,0,0,0|2,0,1]=4 1203 B12R0.5 C#CCCCCCCCCCOC 7a_100000034437_200000210301 [1,0,0,0,0,0|2,0,1]=4 1204 B12R0.5 C#CCCCCCCCCCO[13CH3] 34a_100000034437_200025704644 [1,0,0,0,0,0|2,0,1]=4 1205 B12R0.5 C#CCCCCCCCCCO[13CH3] 7a_100000034437_200025704644 [1,0,0,0,0,0|2,0,1]=4 1206 B12R0.5 C#CCCCCCCCCOCC 34a_100000065265_100000210202 [1,0,0,0,0,0|2,0,1]=4 1207 B12R0.5 C#CCCCCCCCCOCC 7a_100000065265_100000210202 [1,0,0,0,0,0|2,0,1]=4 1208 B12R0.5 C#CCCCCCCCOCC=O 34a_100000054614_200009817547 [1,0,0,0,0,0|1,0,2]=4 1209 B12R0.5 C#CCCCCCCCOCC=O 7a_100000054614_200015260668 [1,0,0,0,0,0|1,0,2]=4 1210 B12R0.5 C#CCCCCCCCOCCC 34a_100000054614_100000210303 [1,0,0,0,0,0|2,0,1]=4 1211 B12R0.5 C#CCCCCCCCOCCC 34a_100000210258_100153394163 [1,0,0,0,0,0|2,0,1]=4 1212 B12R0.5 C#CCCCCCCCOCCC 7a_100000054614_100000210303 [1,0,0,0,0,0|2,0,1]=4 1213 B12R0.5 C#CCCCCCCCSCC=O 62a_100153394163_200015260668 [1,0,0,0,0,0|1,0,2]=4 1214 B12R0.5 C#CCCCCCCCSCC=O 62a_200015260668_100153394163 [1,0,0,0,0,0|1,0,2]=4 1215 B12R0.5 C#CCCCCCCCSCCC 62a_100000210303_100153394163 [1,0,0,0,0,0|2,0,1]=4 1216 B12R0.5 C#CCCCCCCCSCCC 62a_100153394163_100000210303 [1,0,0,0,0,0|2,0,1]=4 1217 B12R0.5 C#CCCCCCCNCCCC 2230a_100000102301_100012276617 [1,0,0,0,0,0|2,0,1]=4 1218 B12R0.5 C#CCCCCCCNCCCC 7a_106832991798_100012276617 [1,0,0,0,0,0|2,0,1]=4 1219 B12R0.5 C#CCCCCCCOCCCC 34a_100000210227_100012276617 [1,0,0,0,0,0|2,0,1]=4 1220 B12R0.5 C#CCCCCCCOCCCC 34a_100011217361_100000210210 [1,0,0,0,0,0|2,0,1]=4 1221 B12R0.5 C#CCCCCCCOCCCC 7a_100000210227_100012276617 [1,0,0,0,0,0|2,0,1]=4 1222 B12R0.5 C#CCCCCCCOCCCC 7a_100011217361_100000210211 [1,0,0,0,0,0|2,0,1]=4 1223 B12R0.5 C#CCCCCCCSCCCC 62a_100000210211_100012276617 [1,0,0,0,0,0|2,0,1]=4 1224 B12R0.5 C#CCCCCCCSCCCC 62a_100012276617_100000210210 [1,0,0,0,0,0|2,0,1]=4 1225 B12R0.5 C#CCCCCCNCCCCC 2230a_100000209983_100012094781 [1,0,0,0,0,0|2,0,1]=4 1226 B12R0.5 C#CCCCCCOCCCC=O 7a_100000766912_200011292268 [1,0,0,0,0,0|1,0,2]=4 1227 B12R0.5 C#CCCCCCOCCCCC 34a_100000210253_100012094781 [1,0,0,0,0,0|2,0,1]=4 1228 B12R0.5 C#CCCCCCOCCCCC 34a_100000766912_100000718602 [1,0,0,0,0,0|2,0,1]=4 1229 B12R0.5 C#CCCCCCOCCCCC 7a_100000210253_100012094781 [1,0,0,0,0,0|2,0,1]=4 1230 B12R0.5 C#CCCCCCOCCCCC 7a_100000766912_100000210326 [1,0,0,0,0,0|2,0,1]=4 1231 B12R0.5 C#CCCCCCSCCCC=O 62a_100012094781_200011292268 [1,0,0,0,0,0|1,0,2]=4 1232 B12R0.5 C#CCCCCCSCCCC=O 62a_200011292268_100012094781 [1,0,0,0,0,0|1,0,2]=4 1233 B12R0.5 C#CCCCCCSCCCCC 62a_100000210326_100012094781 [1,0,0,0,0,0|2,0,1]=4 1234 B12R0.5 C#CCCCCCSCCCCC 62a_100012094781_100000210326 [1,0,0,0,0,0|2,0,1]=4 1235 B12R0.5 C#CCCCCNCCCCC=O 2230a_100000706060_100000139335 [1,0,0,0,0,0|1,0,2]=4 1236 B12R0.5 C#CCCCCNCCCCCC 2230a_100000210581_100010269958 [1,0,0,0,0,0|2,0,1]=4 1237 B12R0.5 C#CCCCCNCCCCCC 2230a_100000706060_100000210314 [1,0,0,0,0,0|2,0,1]=4 1238 B12R0.5 C#CCCCCNCCCCCC 34a_100000706060_100000210314 [1,0,0,0,0,0|2,0,1]=4 1239 B12R0.5 C#CCCCCOCCCCC=O 7a_100000766709_100000139335 [1,0,0,0,0,0|1,0,2]=4 1240 B12R0.5 C#CCCCCOCCCCCC 34a_100000210259_100010269958 [1,0,0,0,0,0|2,0,1]=4 1241 B12R0.5 C#CCCCCOCCCCCC 34a_100000766709_100000210314 [1,0,0,0,0,0|2,0,1]=4 1242 B12R0.5 C#CCCCCOCCCCCC 7a_100000210259_100010269958 [1,0,0,0,0,0|2,0,1]=4 1243 B12R0.5 C#CCCCCOCCCCCC 7a_100000766709_100000210314 [1,0,0,0,0,0|2,0,1]=4 1244 B12R0.5 C#CCCCCSCCCCC=O 62a_100000139335_100010269958 [1,0,0,0,0,0|1,0,2]=4 1245 B12R0.5 C#CCCCCSCCCCC=O 62a_100010269958_100000139335 [1,0,0,0,0,0|1,0,2]=4 1246 B12R0.5 C#CCCCCSCCCCCC 62a_100000210314_100010269958 [1,0,0,0,0,0|2,0,1]=4 1247 B12R0.5 C#CCCCCSCCCCCC 62a_100010269958_100000210757 [1,0,0,0,0,0|2,0,1]=4 1248 B12R0.5 C#CCCCNCCCCCCC 2230a_100000229938_100000731252 [1,0,0,0,0,0|2,0,1]=4 1249 B12R0.5 C#CCCCNCCCCCCC 34a_100000718082_100000210614 [1,0,0,0,0,0|2,0,1]=4 1250 B12R0.5 C#CCCCOCCCCCC=O 7a_100000215630_100000139337 [1,0,0,0,0,0|1,0,2]=4 1251 B12R0.5 C#CCCCOCCCCCCC 34a_100000210272_100000695029 [1,0,0,0,0,0|2,0,1]=4 1252 B12R0.5 C#CCCCOCCCCCCC 34a_100000215630_100000210614 [1,0,0,0,0,0|2,0,1]=4 1253 B12R0.5 C#CCCCOCCCCCCC 7a_100000210272_100011215417 [1,0,0,0,0,0|2,0,1]=4 1254 B12R0.5 C#CCCCOCCCCCCC 7a_100000215630_100000210614 [1,0,0,0,0,0|2,0,1]=4 1255 B12R0.5 C#CCCCSCCCCCC=O 62a_100000139337_100011215417 [1,0,0,0,0,0|1,0,2]=4 1256 B12R0.5 C#CCCCSCCCCCC=O 62a_100011215417_100000139337 [1,0,0,0,0,0|1,0,2]=4 1257 B12R0.5 C#CCCCSCCCCCCC 62a_100000210614_100011215417 [1,0,0,0,0,0|2,0,1]=4 1258 B12R0.5 C#CCCCSCCCCCCC 62a_100011215417_100000210316 [1,0,0,0,0,0|2,0,1]=4 1259 B12R0.5 C#CCCNCCCCCCCC 2230a_100000229939_100000688953 [1,0,0,0,0,0|2,0,1]=4 1260 B12R0.5 C#CCCNCCCCCCCC 34a_100000229939_100000688953 [1,0,0,0,0,0|2,0,1]=4 1261 B12R0.5 C#CCCNCCCCCCCC 34a_100000755551_100000210759 [1,0,0,0,0,0|2,0,1]=4 1262 B12R0.5 C#CCCOCCCCCCCC 34a_100000210232_100000688953 [1,0,0,0,0,0|2,0,1]=4 1263 B12R0.5 C#CCCOCCCCCCCC 34a_100011215631_100000210759 [1,0,0,0,0,0|2,0,1]=4 1264 B12R0.5 C#CCCOCCCCCCCC 7a_100000210232_100000688953 [1,0,0,0,0,0|2,0,1]=4 1265 B12R0.5 C#CCCSCCCCCCCC 62a_100000210759_100000688953 [1,0,0,0,0,0|2,0,1]=4 1266 B12R0.5 C#CCCSCCCCCCCC 62a_100000688953_100000210317 [1,0,0,0,0,0|2,0,1]=4 1267 B12R0.5 C#CCNCCCCCCCCC 2230a_100000212291_100000038162 [1,0,0,0,0,0|2,0,1]=4 1268 B12R0.5 C#CCNCCCCCCCCC 34a_100000212058_100011214924 [1,0,0,0,0,0|2,0,1]=4 1269 B12R0.5 C#CCNCCCCCCCCC 34a_100000212291_100000184674 [1,0,0,0,0,0|2,0,1]=4 1270 B12R0.5 C#CCOCCCCCCCCC 34a_100000210247_100011214924 [1,0,0,0,0,0|2,0,1]=4 1271 B12R0.5 C#CCOCCCCCCCCC 34a_100000210712_100000184674 [1,0,0,0,0,0|2,0,1]=4 1272 B12R0.5 C#CCOCCCCCCCCC 7a_100000210712_100000038162 [1,0,0,0,0,0|2,0,1]=4 1273 B12R0.5 C#CCSCCCCCCCCC 62a_100000038162_100000210670 [1,0,0,0,0,0|2,0,1]=4 1274 B12R0.5 C/C=C/CCOCCCCCCC 34a_100016278192_100000210614 [1,0,0,0,0,0|2,0,1]=4 1275 B12R0.5 C/C=C/CNCCCCCCCC 34a_100000229939_100102629194 [1,0,0,0,0,0|2,0,1]=4 1276 B12R0.5 C/C=C/COCCCCCCCC 34a_100000210232_100102629194 [1,0,0,0,0,0|2,0,1]=4 1277 B12R0.5 C/C=C/COCCCCCCCC 34a_100016270725_100000210759 [1,0,0,0,0,0|2,0,1]=4 1278 B12R0.5 C/C=C/COCCCCCCCC 7a_100000210232_100102629194 [1,0,0,0,0,0|2,0,1]=4 1279 B12R0.5 C/C=C/CSCCCCCCCC 62a_100000210759_100102629194 [1,0,0,0,0,0|2,0,1]=4 1280 B12R0.5 C/C=C/CSCCCCCCCC 62a_100102629194_100000210317 [1,0,0,0,0,0|2,0,1]=4 1281 B12R0.5 C=CCCCCCCCCCNC 2230a_100000081888_200000210301 [1,0,0,0,0,0|2,0,0]=3 1282 B12R0.5 C=CCCCCCCCCCNC 2230a_106832991635_100009814027 [1,0,0,0,0,0|2,0,0]=3 1283 B12R0.5 C=CCCCCCCCCCNC 34a_100000081888_200000210301 [1,0,0,0,0,0|2,0,0]=3 1284 B12R0.5 C=CCCCCCCCCCNC 34a_100102657272_100009814027 [1,0,0,0,0,0|2,0,0]=3 1285 B12R0.5 C=CCCCCCCCCCNC 7a_106832991635_100009814027 [1,0,0,0,0,0|2,0,0]=3 1286 B12R0.5 C=CCCCCCCCCCN[13CH3] 2230a_100000081888_200025704644 [1,0,0,0,0,0|2,0,0]=3 1287 B12R0.5 C=CCCCCCCCCCN[13CH3] 34a_100000081888_200025704644 [1,0,0,0,0,0|2,0,0]=3 1288 B12R0.5 C=CCCCCCCCCCOC 34a_100000038209_200000210301 [1,0,0,0,0,0|2,0,0]=3 1289 B12R0.5 C=CCCCCCCCCCOC 34a_100138415774_100009814027 [1,0,0,0,0,0|2,0,0]=3 1290 B12R0.5 C=CCCCCCCCCCOC 7a_100000038209_200000210301 [1,0,0,0,0,0|2,0,0]=3 1291 B12R0.5 C=CCCCCCCCCCO[13CH3] 34a_100000038209_200025704644 [1,0,0,0,0,0|2,0,0]=3 1292 B12R0.5 C=CCCCCCCCCCO[13CH3] 7a_100000038209_200025704644 [1,0,0,0,0,0|2,0,0]=3 1293 B12R0.5 C=CCCCCCCCCCSC 62a_100009814027_200000210301 [1,0,0,0,0,0|2,0,0]=3 1294 B12R0.5 C=CCCCCCCCCCSC 62a_200000210301_100009814027 [1,0,0,0,0,0|2,0,0]=3 1295 B12R0.5 C=CCCCCCCCCCS[13CH3] 62a_100009814027_200025704644 [1,0,0,0,0,0|2,0,0]=3 1296 B12R0.5 C=CCCCCCCCCCS[13CH3] 62a_200025704644_100009814027 [1,0,0,0,0,0|2,0,0]=3 1297 B12R0.5 C=CCCCCCCCCNCC 2230a_100015525214_100011933949 [1,0,0,0,0,0|2,0,0]=3 1298 B12R0.5 C=CCCCCCCCCOCC 34a_100011215194_100000210202 [1,0,0,0,0,0|2,0,0]=3 1299 B12R0.5 C=CCCCCCCCCOCC 34a_100121572206_100011933949 [1,0,0,0,0,0|2,0,0]=3 1300 B12R0.5 C=CCCCCCCCCOCC 7a_100011215194_100000210202 [1,0,0,0,0,0|2,0,0]=3 1301 B12R0.5 C=CCCCCCCCCOCF 34a_100011215194_100015361967 [1,0,0,0,0,0|3,0,0]=4 1302 B12R0.5 C=CCCCCCCCCOCF 7a_100011215194_100015361967 [1,0,0,0,0,0|3,0,0]=4 1303 B12R0.5 C=CCCCCCCCCSCC 62a_100000210202_100011933949 [1,0,0,0,0,0|2,0,0]=3 1304 B12R0.5 C=CCCCCCCCCSCC 62a_100011933949_100000210202 [1,0,0,0,0,0|2,0,0]=3 1305 B12R0.5 C=CCCCCCCCCSCF 62a_100011933949_100015361967 [1,0,0,0,0,0|3,0,0]=4 1306 B12R0.5 C=CCCCCCCCCSCF 62a_100015361967_100011933949 [1,0,0,0,0,0|3,0,0]=4 1307 B12R0.5 C=CCCCCCCCNCCF 34a_100000724931_100012355270 [1,0,0,0,0,0|3,0,0]=4 1308 B12R0.5 C=CCCCCCCCNCCO 2230a_100016997473_100012355270 [1,0,0,0,0,0|3,0,0]=4 1309 B12R0.5 C=CCCCCCCCNCCO 34a_100016990907_100012355270 [1,0,0,0,0,0|3,0,0]=4 1310 B12R0.5 C=CCCCCCCCOCC=O 34a_100000730831_200009817547 [1,0,0,0,0,0|1,0,2]=4 1311 B12R0.5 C=CCCCCCCCOCC=O 7a_100000730831_200015260668 [1,0,0,0,0,0|1,0,2]=4 1312 B12R0.5 C=CCCCCCCCOCCBr 34a_100000211926_100012355270 [1,0,0,0,0,0|3,0,0]=4 1313 B12R0.5 C=CCCCCCCCOCCC 34a_100000210258_100012355270 [1,0,0,0,0,0|2,0,0]=3 1314 B12R0.5 C=CCCCCCCCOCCC 34a_100000730831_100000210303 [1,0,0,0,0,0|2,0,0]=3 1315 B12R0.5 C=CCCCCCCCOCCC 7a_100000730831_100000210303 [1,0,0,0,0,0|2,0,0]=3 1316 B12R0.5 C=CCCCCCCCOCCF 34a_100000730831_100011217306 [1,0,0,0,0,0|3,0,0]=4 1317 B12R0.5 C=CCCCCCCCOCCF 7a_100000730831_100011217306 [1,0,0,0,0,0|3,0,0]=4 1318 B12R0.5 C=CCCCCCCCOCCN 34a_100000210304_100012355270 [1,0,0,0,0,0|3,0,0]=4 1319 B12R0.5 C=CCCCCCCCOCCO 34a_100000730831_100000211926 [1,0,0,0,0,0|3,0,0]=4 1320 B12R0.5 C=CCCCCCCCOCCO 7a_100000730831_100000211926 [1,0,0,0,0,0|3,0,0]=4 1321 B12R0.5 C=CCCCCCCCOCSC 34a_100000730831_100011218213 [1,0,0,0,0,0|3,0,0]=4 1322 B12R0.5 C=CCCCCCCCSCC=O 62a_100012355270_200015260668 [1,0,0,0,0,0|1,0,2]=4 1323 B12R0.5 C=CCCCCCCCSCC=O 62a_200015260668_100012355270 [1,0,0,0,0,0|1,0,2]=4 1324 B12R0.5 C=CCCCCCCCSCCC 62a_100000210303_100012355270 [1,0,0,0,0,0|2,0,0]=3 1325 B12R0.5 C=CCCCCCCCSCCC 62a_100012355270_100000210303 [1,0,0,0,0,0|2,0,0]=3 1326 B12R0.5 C=CCCCCCCCSCCF 62a_100011217306_100012355270 [1,0,0,0,0,0|3,0,0]=4 1327 B12R0.5 C=CCCCCCCCSCCF 62a_100012355270_100011217306 [1,0,0,0,0,0|3,0,0]=4 1328 B12R0.5 C=CCCCCCCCSCCO 62a_100000211926_100012355270 [1,0,0,0,0,0|3,0,0]=4 1329 B12R0.5 C=CCCCCCCCSCCO 62a_100012355270_100000211926 [1,0,0,0,0,0|3,0,0]=4 1330 B12R0.5 C=CCCCCCCCSCOC 62a_100000766300_100012355270 [1,0,0,0,0,0|3,0,0]=4 1331 B12R0.5 C=CCCCCCCCSCOC 62a_100012355270_100000766300 [1,0,0,0,0,0|3,0,0]=4 1332 B12R0.5 C=CCCCCCCCSCSC 62a_100011218213_100012355270 [1,0,0,0,0,0|3,0,0]=4 1333 B12R0.5 C=CCCCCCCCSCSC 62a_100012355270_100011218213 [1,0,0,0,0,0|3,0,0]=4 1334 B12R0.5 C=CCCCCCCNCCCC 2230a_100000102301_100011215473 [1,0,0,0,0,0|2,0,0]=3 1335 B12R0.5 C=CCCCCCCNCCCC 7a_106832991798_100011215473 [1,0,0,0,0,0|2,0,0]=3 1336 B12R0.5 C=CCCCCCCNCCCF 2230a_100015189416_100011215473 [1,0,0,0,0,0|3,0,0]=4 1337 B12R0.5 C=CCCCCCCNCCCF 34a_100015189416_100011215473 [1,0,0,0,0,0|3,0,0]=4 1338 B12R0.5 C=CCCCCCCNCCOC 2230a_100000209980_100011215473 [1,0,0,0,0,0|3,0,0]=4 1339 B12R0.5 C=CCCCCCCNCCSC 2230a_100020590264_100011215473 [1,0,0,0,0,0|3,0,0]=4 1340 B12R0.5 C=CCCCCCCOCCCBr 34a_100011217188_100011215473 [1,0,0,0,0,0|3,0,0]=4 1341 B12R0.5 C=CCCCCCCOCCCC 34a_100000210227_100011215473 [1,0,0,0,0,0|2,0,0]=3 1342 B12R0.5 C=CCCCCCCOCCCC 34a_200011216477_100000210210 [1,0,0,0,0,0|2,0,0]=3 1343 B12R0.5 C=CCCCCCCOCCCC 7a_100000210227_100011215473 [1,0,0,0,0,0|2,0,0]=3 1344 B12R0.5 C=CCCCCCCOCCCC 7a_200011216477_100000210211 [1,0,0,0,0,0|2,0,0]=3 1345 B12R0.5 C=CCCCCCCOCCCCl 34a_100000230001_100011215473 [1,0,0,0,0,0|3,0,0]=4 1346 B12R0.5 C=CCCCCCCOCCCF 34a_100000759539_100011215473 [1,0,0,0,0,0|3,0,0]=4 1347 B12R0.5 C=CCCCCCCOCCCF 34a_200011216477_100011934791 [1,0,0,0,0,0|3,0,0]=4 1348 B12R0.5 C=CCCCCCCOCCCF 7a_200011216477_100011934791 [1,0,0,0,0,0|3,0,0]=4 1349 B12R0.5 C=CCCCCCCOCCCN 34a_100000182051_100011215473 [1,0,0,0,0,0|3,0,0]=4 1350 B12R0.5 C=CCCCCCCOCCCO 34a_200011216477_100000230001 [1,0,0,0,0,0|3,0,0]=4 1351 B12R0.5 C=CCCCCCCOCCCO 7a_200011216477_100011215043 [1,0,0,0,0,0|3,0,0]=4 1352 B12R0.5 C=CCCCCCCOCCOC 34a_100000210237_100011215473 [1,0,0,0,0,0|3,0,0]=4 1353 B12R0.5 C=CCCCCCCOCCOC 34a_200011216477_100011201679 [1,0,0,0,0,0|3,0,0]=4 1354 B12R0.5 C=CCCCCCCOCCOC 7a_200011216477_100000233755 [1,0,0,0,0,0|3,0,0]=4 1355 B12R0.5 C=CCCCCCCOCCSC 34a_100000230434_100011215473 [1,0,0,0,0,0|3,0,0]=4 1356 B12R0.5 C=CCCCCCCOCCSC 34a_200011216477_100000212216 [1,0,0,0,0,0|3,0,0]=4 1357 B12R0.5 C=CCCCCCCOCCSC 7a_100000230434_100011215473 [1,0,0,0,0,0|3,0,0]=4 1358 B12R0.5 C=CCCCCCCOCCSC 7a_200011216477_100000212216 [1,0,0,0,0,0|3,0,0]=4 1359 B12R0.5 C=CCCCCCCSCCCC 62a_100000210211_100011215473 [1,0,0,0,0,0|2,0,0]=3 1360 B12R0.5 C=CCCCCCCSCCCC 62a_100011215473_100000210210 [1,0,0,0,0,0|2,0,0]=3 1361 B12R0.5 C=CCCCCCCSCCCF 62a_100011215473_100011934791 [1,0,0,0,0,0|3,0,0]=4 1362 B12R0.5 C=CCCCCCCSCCCF 62a_100011934791_100011215473 [1,0,0,0,0,0|3,0,0]=4 1363 B12R0.5 C=CCCCCCCSCCCO 62a_100011215043_100011215473 [1,0,0,0,0,0|3,0,0]=4 1364 B12R0.5 C=CCCCCCCSCCCO 62a_100011215473_100011215043 [1,0,0,0,0,0|3,0,0]=4 1365 B12R0.5 C=CCCCCCCSCCOC 62a_100000233755_100011215473 [1,0,0,0,0,0|3,0,0]=4 1366 B12R0.5 C=CCCCCCCSCCOC 62a_100011215473_100000233755 [1,0,0,0,0,0|3,0,0]=4 1367 B12R0.5 C=CCCCCCCSCCSC 62a_100000212216_100011215473 [1,0,0,0,0,0|3,0,0]=4 1368 B12R0.5 C=CCCCCCCSCCSC 62a_100011215473_100000751147 [1,0,0,0,0,0|3,0,0]=4 1369 B12R0.5 C=CCCCCCCSCOCC 62a_100000739092_100011215473 [1,0,0,0,0,0|3,0,0]=4 1370 B12R0.5 C=CCCCCCCSCOCC 62a_100011215473_100000739092 [1,0,0,0,0,0|3,0,0]=4 1371 B12R0.5 C=CCCCCCNCCCCC 2230a_100000209983_100000700193 [1,0,0,0,0,0|2,0,0]=3 1372 B12R0.5 C=CCCCCCNCCCCO 2230a_100000750430_100000700193 [1,0,0,0,0,0|3,0,0]=4 1373 B12R0.5 C=CCCCCCNCCCCO 34a_100000750430_100000700193 [1,0,0,0,0,0|3,0,0]=4 1374 B12R0.5 C=CCCCCCNCCCOC 34a_100150723488_100000700193 [1,0,0,0,0,0|3,0,0]=4 1375 B12R0.5 C=CCCCCCNCCCSC 2230a_100000749238_100000700193 [1,0,0,0,0,0|3,0,0]=4 1376 B12R0.5 C=CCCCCCNCCOCC 2230a_102516460346_100000700193 [1,0,0,0,0,0|3,0,0]=4 1377 B12R0.5 C=CCCCCCNCCOCC 34a_102516460346_100000700193 [1,0,0,0,0,0|3,0,0]=4 1378 B12R0.5 C=CCCCCCNCCSCC 2230a_100000106463_100000700193 [1,0,0,0,0,0|3,0,0]=4 1379 B12R0.5 C=CCCCCCOCCCC=O 7a_100011216702_200011292268 [1,0,0,0,0,0|1,0,2]=4 1380 B12R0.5 C=CCCCCCOCCCCBr 34a_100011216708_100000700193 [1,0,0,0,0,0|3,0,0]=4 1381 B12R0.5 C=CCCCCCOCCCCC 34a_100000210253_100000700193 [1,0,0,0,0,0|2,0,0]=3 1382 B12R0.5 C=CCCCCCOCCCCC 34a_100011216702_100000718602 [1,0,0,0,0,0|2,0,0]=3 1383 B12R0.5 C=CCCCCCOCCCCC 7a_100000210253_100000700193 [1,0,0,0,0,0|2,0,0]=3 1384 B12R0.5 C=CCCCCCOCCCCC 7a_100011216702_100000210326 [1,0,0,0,0,0|2,0,0]=3 1385 B12R0.5 C=CCCCCCOCCCCCl 34a_100000210776_100000700193 [1,0,0,0,0,0|3,0,0]=4 1386 B12R0.5 C=CCCCCCOCCCCCl 7a_100000210776_100000700193 [1,0,0,0,0,0|3,0,0]=4 1387 B12R0.5 C=CCCCCCOCCCCF 34a_100011216702_100000729493 [1,0,0,0,0,0|3,0,0]=4 1388 B12R0.5 C=CCCCCCOCCCCF 34a_100011995726_100000700193 [1,0,0,0,0,0|3,0,0]=4 1389 B12R0.5 C=CCCCCCOCCCCF 7a_100011216702_100000729493 [1,0,0,0,0,0|3,0,0]=4 1390 B12R0.5 C=CCCCCCOCCCCF 7a_100011995726_100000700193 [1,0,0,0,0,0|3,0,0]=4 1391 B12R0.5 C=CCCCCCOCCCCI 34a_200012148704_100000700193 [1,0,0,0,0,0|3,0,0]=4 1392 B12R0.5 C=CCCCCCOCCCCN 34a_100000750430_100000700193 [1,0,0,0,0,0|3,0,0]=4 1393 B12R0.5 C=CCCCCCOCCCCO 34a_100011216702_100011216708 [1,0,0,0,0,0|3,0,0]=4 1394 B12R0.5 C=CCCCCCOCCCCO 7a_100011216702_100000210776 [1,0,0,0,0,0|3,0,0]=4 1395 B12R0.5 C=CCCCCCOCCCNC 34a_100000213112_100000700193 [1,0,0,0,0,0|3,0,0]=4 1396 B12R0.5 C=CCCCCCOCCCOC 34a_100000740835_100000700193 [1,0,0,0,0,0|3,0,0]=4 1397 B12R0.5 C=CCCCCCOCCCOC 34a_100011216702_100000740836 [1,0,0,0,0,0|3,0,0]=4 1398 B12R0.5 C=CCCCCCOCCCOC 7a_100011216702_100000740836 [1,0,0,0,0,0|3,0,0]=4 1399 B12R0.5 C=CCCCCCOCCCSC 34a_100000690336_100000700193 [1,0,0,0,0,0|3,0,0]=4 1400 B12R0.5 C=CCCCCCOCCCSC 7a_100000690336_100000700193 [1,0,0,0,0,0|3,0,0]=4 1401 B12R0.5 C=CCCCCCOCCOCC 34a_100000210136_100000700193 [1,0,0,0,0,0|3,0,0]=4 1402 B12R0.5 C=CCCCCCOCCOCC 34a_100011216702_100000210147 [1,0,0,0,0,0|3,0,0]=4 1403 B12R0.5 C=CCCCCCOCCOCC 7a_100000210136_100000700193 [1,0,0,0,0,0|3,0,0]=4 1404 B12R0.5 C=CCCCCCOCCOCC 7a_100011216702_100011215890 [1,0,0,0,0,0|3,0,0]=4 1405 B12R0.5 C=CCCCCCOCCSCC 34a_100000212035_100000700193 [1,0,0,0,0,0|3,0,0]=4 1406 B12R0.5 C=CCCCCCOCCSCC 34a_100011216702_100000757381 [1,0,0,0,0,0|3,0,0]=4 1407 B12R0.5 C=CCCCCCOCCSCC 7a_100000212035_100000700193 [1,0,0,0,0,0|3,0,0]=4 1408 B12R0.5 C=CCCCCCOCCSCC 7a_100011216702_100000757381 [1,0,0,0,0,0|3,0,0]=4 1409 B12R0.5 C=CCCCCCSCCCC=O 62a_100000700193_200011292268 [1,0,0,0,0,0|1,0,2]=4 1410 B12R0.5 C=CCCCCCSCCCC=O 62a_200011292268_100000700193 [1,0,0,0,0,0|1,0,2]=4 1411 B12R0.5 C=CCCCCCSCCCCC 62a_100000210326_100000700193 [1,0,0,0,0,0|2,0,0]=3 1412 B12R0.5 C=CCCCCCSCCCCC 62a_100000700193_100000210326 [1,0,0,0,0,0|2,0,0]=3 1413 B12R0.5 C=CCCCCCSCCCCF 62a_100000700193_100000729493 [1,0,0,0,0,0|3,0,0]=4 1414 B12R0.5 C=CCCCCCSCCCCF 62a_100000729493_100000700193 [1,0,0,0,0,0|3,0,0]=4 1415 B12R0.5 C=CCCCCCSCCCCO 62a_100000210776_100000700193 [1,0,0,0,0,0|3,0,0]=4 1416 B12R0.5 C=CCCCCCSCCCCO 62a_100000700193_100000210776 [1,0,0,0,0,0|3,0,0]=4 1417 B12R0.5 C=CCCCCCSCCCOC 62a_100000700193_100000709357 [1,0,0,0,0,0|3,0,0]=4 1418 B12R0.5 C=CCCCCCSCCCOC 62a_100000709357_100000700193 [1,0,0,0,0,0|3,0,0]=4 1419 B12R0.5 C=CCCCCCSCCOCC 62a_100000210147_100000700193 [1,0,0,0,0,0|3,0,0]=4 1420 B12R0.5 C=CCCCCCSCCOCC 62a_100000700193_100011215890 [1,0,0,0,0,0|3,0,0]=4 1421 B12R0.5 C=CCCCCCSCCSCC 62a_100000700193_100000757381 [1,0,0,0,0,0|3,0,0]=4 1422 B12R0.5 C=CCCCCCSCCSCC 62a_100000757381_100000700193 [1,0,0,0,0,0|3,0,0]=4 1423 B12R0.5 C=CCCCCNCCCCC=O 2230a_100000703577_100000139335 [1,0,0,0,0,0|1,0,2]=4 1424 B12R0.5 C=CCCCCNCCCCCC 2230a_100000210581_100011215482 [1,0,0,0,0,0|2,0,0]=3 1425 B12R0.5 C=CCCCCNCCCCCC 2230a_100000703577_100000210314 [1,0,0,0,0,0|2,0,0]=3 1426 B12R0.5 C=CCCCCNCCCCCC 34a_100000703577_100000210314 [1,0,0,0,0,0|2,0,0]=3 1427 B12R0.5 C=CCCCCNCCCCCF 2230a_100000703577_100000729378 [1,0,0,0,0,0|3,0,0]=4 1428 B12R0.5 C=CCCCCNCCCCCF 34a_100000703577_100000729378 [1,0,0,0,0,0|3,0,0]=4 1429 B12R0.5 C=CCCCCNCCCCCO 2230a_100000703577_100000746330 [1,0,0,0,0,0|3,0,0]=4 1430 B12R0.5 C=CCCCCNCCCCCO 2230a_100000762737_100011215482 [1,0,0,0,0,0|3,0,0]=4 1431 B12R0.5 C=CCCCCNCCCCCO 34a_100000703577_100000746330 [1,0,0,0,0,0|3,0,0]=4 1432 B12R0.5 C=CCCCCNCCCCCO 34a_100000762737_100011215482 [1,0,0,0,0,0|3,0,0]=4 1433 B12R0.5 C=CCCCCNCCCCOC 2230a_100000703577_100000730899 [1,0,0,0,0,0|3,0,0]=4 1434 B12R0.5 C=CCCCCNCCCCOC 34a_100000703577_100000755781 [1,0,0,0,0,0|3,0,0]=4 1435 B12R0.5 C=CCCCCNCCCOCC 2230a_100000210961_100011215482 [1,0,0,0,0,0|3,0,0]=4 1436 B12R0.5 C=CCCCCNCCCOCC 2230a_100000703577_100012232248 [1,0,0,0,0,0|3,0,0]=4 1437 B12R0.5 C=CCCCCNCCCOCC 34a_100000210961_100011215482 [1,0,0,0,0,0|3,0,0]=4 1438 B12R0.5 C=CCCCCNCCCOCC 34a_100000703577_100012232248 [1,0,0,0,0,0|3,0,0]=4 1439 B12R0.5 C=CCCCCNCCOCCC 2230a_100000703577_100011215938 [1,0,0,0,0,0|3,0,0]=4 1440 B12R0.5 C=CCCCCNCCOCCC 2230a_100161115042_100011215482 [1,0,0,0,0,0|3,0,0]=4 1441 B12R0.5 C=CCCCCNCCOCCC 34a_100000703577_100011215938 [1,0,0,0,0,0|3,0,0]=4 1442 B12R0.5 C=CCCCCNCCOCCC 34a_100161115042_100011215482 [1,0,0,0,0,0|3,0,0]=4 1443 B12R0.5 C=CCCCCNCCSCCC 2230a_100020603323_100011215482 [1,0,0,0,0,0|3,0,0]=4 1444 B12R0.5 C=CCCCCNCOCCCC 2230a_100000703577_100011995733 [1,0,0,0,0,0|3,0,0]=4 1445 B12R0.5 C=CCCCCNCOCCCC 34a_100000703577_100011995733 [1,0,0,0,0,0|3,0,0]=4 1446 B12R0.5 C=CCCCCOCCCCC=O 7a_100000766645_100000139335 [1,0,0,0,0,0|1,0,2]=4 1447 B12R0.5 C=CCCCCOCCCCCBr 34a_100000746331_100011215482 [1,0,0,0,0,0|3,0,0]=4 1448 B12R0.5 C=CCCCCOCCCCCBr 7a_100000746331_100011215482 [1,0,0,0,0,0|3,0,0]=4 1449 B12R0.5 C=CCCCCOCCCCCC 34a_100000210259_100011215482 [1,0,0,0,0,0|2,0,0]=3 1450 B12R0.5 C=CCCCCOCCCCCC 34a_100000766645_100000210314 [1,0,0,0,0,0|2,0,0]=3 1451 B12R0.5 C=CCCCCOCCCCCC 7a_100000210259_100011215482 [1,0,0,0,0,0|2,0,0]=3 1452 B12R0.5 C=CCCCCOCCCCCC 7a_100000766645_100000210314 [1,0,0,0,0,0|2,0,0]=3 1453 B12R0.5 C=CCCCCOCCCCCCl 34a_100000746330_100011215482 [1,0,0,0,0,0|3,0,0]=4 1454 B12R0.5 C=CCCCCOCCCCCCl 7a_100000746330_100011215482 [1,0,0,0,0,0|3,0,0]=4 1455 B12R0.5 C=CCCCCOCCCCCF 34a_100000766645_100000729378 [1,0,0,0,0,0|3,0,0]=4 1456 B12R0.5 C=CCCCCOCCCCCF 7a_100000766645_100000729378 [1,0,0,0,0,0|3,0,0]=4 1457 B12R0.5 C=CCCCCOCCCCCI 34a_200012148887_100011215482 [1,0,0,0,0,0|3,0,0]=4 1458 B12R0.5 C=CCCCCOCCCCCI 7a_200012148887_100011215482 [1,0,0,0,0,0|3,0,0]=4 1459 B12R0.5 C=CCCCCOCCCCCN 34a_100000762737_100011215482 [1,0,0,0,0,0|3,0,0]=4 1460 B12R0.5 C=CCCCCOCCCCCO 34a_100000766645_100000746330 [1,0,0,0,0,0|3,0,0]=4 1461 B12R0.5 C=CCCCCOCCCCCO 7a_100000766645_100000746330 [1,0,0,0,0,0|3,0,0]=4 1462 B12R0.5 C=CCCCCOCCCCOC 34a_100000740925_100011215482 [1,0,0,0,0,0|3,0,0]=4 1463 B12R0.5 C=CCCCCOCCCCOC 34a_100000766645_100000755781 [1,0,0,0,0,0|3,0,0]=4 1464 B12R0.5 C=CCCCCOCCCCOC 7a_100000766645_100000730899 [1,0,0,0,0,0|3,0,0]=4 1465 B12R0.5 C=CCCCCOCCCCSC 34a_100011217163_100011215482 [1,0,0,0,0,0|3,0,0]=4 1466 B12R0.5 C=CCCCCOCCCCSC 7a_100011217163_100011215482 [1,0,0,0,0,0|3,0,0]=4 1467 B12R0.5 C=CCCCCOCCCOCC 34a_100000757476_100011215482 [1,0,0,0,0,0|3,0,0]=4 1468 B12R0.5 C=CCCCCOCCCOCC 34a_100000766645_100012232248 [1,0,0,0,0,0|3,0,0]=4 1469 B12R0.5 C=CCCCCOCCCOCC 7a_100000757476_100011215482 [1,0,0,0,0,0|3,0,0]=4 1470 B12R0.5 C=CCCCCOCCCOCC 7a_100000766645_100012232248 [1,0,0,0,0,0|3,0,0]=4 1471 B12R0.5 C=CCCCCOCCCSCC 34a_100011216438_100011215482 [1,0,0,0,0,0|3,0,0]=4 1472 B12R0.5 C=CCCCCOCCCSCC 7a_100011216438_100011215482 [1,0,0,0,0,0|3,0,0]=4 1473 B12R0.5 C=CCCCCOCCOCCC 34a_100000752267_100011215482 [1,0,0,0,0,0|3,0,0]=4 1474 B12R0.5 C=CCCCCOCCOCCC 34a_100000766645_100011215938 [1,0,0,0,0,0|3,0,0]=4 1475 B12R0.5 C=CCCCCOCCOCCC 7a_100000752267_100011215482 [1,0,0,0,0,0|3,0,0]=4 1476 B12R0.5 C=CCCCCOCCOCCC 7a_100000766645_100011215938 [1,0,0,0,0,0|3,0,0]=4 1477 B12R0.5 C=CCCCCOCCSCCC 34a_200000230433_100011215482 [1,0,0,0,0,0|3,0,0]=4 1478 B12R0.5 C=CCCCCOCCSCCC 7a_200000230433_100011215482 [1,0,0,0,0,0|3,0,0]=4 1479 B12R0.5 C=CCCCCOCOCCCC 34a_100000766645_100011995733 [1,0,0,0,0,0|3,0,0]=4 1480 B12R0.5 C=CCCCCSCCCCC=O 62a_100000139335_100011215482 [1,0,0,0,0,0|1,0,2]=4 1481 B12R0.5 C=CCCCCSCCCCC=O 62a_100011215482_100000139335 [1,0,0,0,0,0|1,0,2]=4 1482 B12R0.5 C=CCCCCSCCCCCC 62a_100000210314_100011215482 [1,0,0,0,0,0|2,0,0]=3 1483 B12R0.5 C=CCCCCSCCCCCC 62a_100011215482_100000210757 [1,0,0,0,0,0|2,0,0]=3 1484 B12R0.5 C=CCCCCSCCCCCF 62a_100000729378_100011215482 [1,0,0,0,0,0|3,0,0]=4 1485 B12R0.5 C=CCCCCSCCCCCF 62a_100011215482_100000729378 [1,0,0,0,0,0|3,0,0]=4 1486 B12R0.5 C=CCCCCSCCCCCO 62a_100000746330_100011215482 [1,0,0,0,0,0|3,0,0]=4 1487 B12R0.5 C=CCCCCSCCCCCO 62a_100011215482_100000746330 [1,0,0,0,0,0|3,0,0]=4 1488 B12R0.5 C=CCCCCSCCCCOC 62a_100000730899_100011215482 [1,0,0,0,0,0|3,0,0]=4 1489 B12R0.5 C=CCCCCSCCCCOC 62a_100011215482_100000730899 [1,0,0,0,0,0|3,0,0]=4 1490 B12R0.5 C=CCCCCSCCCOCC 62a_100011215482_100012232248 [1,0,0,0,0,0|3,0,0]=4 1491 B12R0.5 C=CCCCCSCCCOCC 62a_100012232248_100011215482 [1,0,0,0,0,0|3,0,0]=4 1492 B12R0.5 C=CCCCCSCCOCCC 62a_100011215482_100011215938 [1,0,0,0,0,0|3,0,0]=4 1493 B12R0.5 C=CCCCCSCCOCCC 62a_100011215938_100011215482 [1,0,0,0,0,0|3,0,0]=4 1494 B12R0.5 C=CCCCCSCOCCCC 62a_100011215482_100011995733 [1,0,0,0,0,0|3,0,0]=4 1495 B12R0.5 C=CCCCCSCOCCCC 62a_100011995733_100011215482 [1,0,0,0,0,0|3,0,0]=4 1496 B12R0.5 C=CCCCNCCCCCC=O 2230a_100000700776_100000139337 [1,0,0,0,0,0|1,0,2]=4 1497 B12R0.5 C=CCCCNCCCCCCC 2230a_100000229938_100011713584 [1,0,0,0,0,0|2,0,0]=3 1498 B12R0.5 C=CCCCNCCCCCCC 2230a_100000700776_100000210681 [1,0,0,0,0,0|2,0,0]=3 1499 B12R0.5 C=CCCCNCCCCCCC 34a_100000700776_100000210614 [1,0,0,0,0,0|2,0,0]=3 1500 B12R0.5 C=CCCCNCCCCCCF 2230a_100000700776_100015922095 [1,0,0,0,0,0|3,0,0]=4 1501 B12R0.5 C=CCCCNCCCCCCF 34a_100000700776_100015922095 [1,0,0,0,0,0|3,0,0]=4 1502 B12R0.5 C=CCCCNCCCCCCO 2230a_100000686447_100011713584 [1,0,0,0,0,0|3,0,0]=4 1503 B12R0.5 C=CCCCNCCCCCCO 2230a_100000700776_100000766143 [1,0,0,0,0,0|3,0,0]=4 1504 B12R0.5 C=CCCCNCCCCCCO 34a_100000686447_100000757094 [1,0,0,0,0,0|3,0,0]=4 1505 B12R0.5 C=CCCCNCCCCCCO 34a_100000700776_100000766143 [1,0,0,0,0,0|3,0,0]=4 1506 B12R0.5 C=CCCCNCCCCCOC 2230a_100000747528_100011713584 [1,0,0,0,0,0|3,0,0]=4 1507 B12R0.5 C=CCCCNCCCCCOC 34a_100000747528_100000757094 [1,0,0,0,0,0|3,0,0]=4 1508 B12R0.5 C=CCCCNCCCOCCC 2230a_100011217757_100011713584 [1,0,0,0,0,0|3,0,0]=4 1509 B12R0.5 C=CCCCNCCCOCCC 34a_100011217757_100000757094 [1,0,0,0,0,0|3,0,0]=4 1510 B12R0.5 C=CCCCNCCOCCCC 2230a_100000700776_100000743108 [1,0,0,0,0,0|3,0,0]=4 1511 B12R0.5 C=CCCCNCCOCCCC 34a_100000700776_100000743108 [1,0,0,0,0,0|3,0,0]=4 1512 B12R0.5 C=CCCCNCCSCCCC 2230a_100025743550_100011713584 [1,0,0,0,0,0|3,0,0]=4 1513 B12R0.5 C=CCCCOCCCCCC=O 7a_100000758997_100000139337 [1,0,0,0,0,0|1,0,2]=4 1514 B12R0.5 C=CCCCOCCCCCCBr 34a_100011215345_100000757094 [1,0,0,0,0,0|3,0,0]=4 1515 B12R0.5 C=CCCCOCCCCCCBr 7a_100011215345_100000757094 [1,0,0,0,0,0|3,0,0]=4 1516 B12R0.5 C=CCCCOCCCCCCC 34a_100000210272_100000757094 [1,0,0,0,0,0|2,0,0]=3 1517 B12R0.5 C=CCCCOCCCCCCC 34a_100000758997_100000210614 [1,0,0,0,0,0|2,0,0]=3 1518 B12R0.5 C=CCCCOCCCCCCC 7a_100000210272_100000757094 [1,0,0,0,0,0|2,0,0]=3 1519 B12R0.5 C=CCCCOCCCCCCC 7a_100000758997_100000210614 [1,0,0,0,0,0|2,0,0]=3 1520 B12R0.5 C=CCCCOCCCCCCCl 34a_100000766143_100000757094 [1,0,0,0,0,0|3,0,0]=4 1521 B12R0.5 C=CCCCOCCCCCCCl 7a_100000766143_100000757094 [1,0,0,0,0,0|3,0,0]=4 1522 B12R0.5 C=CCCCOCCCCCCF 34a_100000732779_100000757094 [1,0,0,0,0,0|3,0,0]=4 1523 B12R0.5 C=CCCCOCCCCCCF 34a_100000758997_100015922095 [1,0,0,0,0,0|3,0,0]=4 1524 B12R0.5 C=CCCCOCCCCCCF 7a_100000732779_100000757094 [1,0,0,0,0,0|3,0,0]=4 1525 B12R0.5 C=CCCCOCCCCCCF 7a_100000758997_100015922095 [1,0,0,0,0,0|3,0,0]=4 1526 B12R0.5 C=CCCCOCCCCCCN 34a_100000686447_100000757094 [1,0,0,0,0,0|3,0,0]=4 1527 B12R0.5 C=CCCCOCCCCCCO 34a_100000758997_100000766143 [1,0,0,0,0,0|3,0,0]=4 1528 B12R0.5 C=CCCCOCCCCCCO 7a_100000758997_100000766143 [1,0,0,0,0,0|3,0,0]=4 1529 B12R0.5 C=CCCCOCCCCCNC 34a_100000722520_100000757094 [1,0,0,0,0,0|3,0,0]=4 1530 B12R0.5 C=CCCCOCCOCCCC 34a_100000210238_100000757094 [1,0,0,0,0,0|3,0,0]=4 1531 B12R0.5 C=CCCCOCCOCCCC 34a_100000758997_100000743108 [1,0,0,0,0,0|3,0,0]=4 1532 B12R0.5 C=CCCCOCCOCCCC 7a_100000210238_100000757094 [1,0,0,0,0,0|3,0,0]=4 1533 B12R0.5 C=CCCCOCCOCCCC 7a_100000758997_100000743108 [1,0,0,0,0,0|3,0,0]=4 1534 B12R0.5 C=CCCCOCCSCCCC 34a_200000230436_100000757094 [1,0,0,0,0,0|3,0,0]=4 1535 B12R0.5 C=CCCCOCCSCCCC 7a_200000230436_100000757094 [1,0,0,0,0,0|3,0,0]=4 1536 B12R0.5 C=CCCCSCCCCCC=O 62a_100000139337_100000757094 [1,0,0,0,0,0|1,0,2]=4 1537 B12R0.5 C=CCCCSCCCCCC=O 62a_100011713584_100000139337 [1,0,0,0,0,0|1,0,2]=4 1538 B12R0.5 C=CCCCSCCCCCCC 62a_100000210614_100000757094 [1,0,0,0,0,0|2,0,0]=3 1539 B12R0.5 C=CCCCSCCCCCCC 62a_100011713584_100000210316 [1,0,0,0,0,0|2,0,0]=3 1540 B12R0.5 C=CCCCSCCCCCCF 62a_100011713584_100015922095 [1,0,0,0,0,0|3,0,0]=4 1541 B12R0.5 C=CCCCSCCCCCCF 62a_100015922095_100000757094 [1,0,0,0,0,0|3,0,0]=4 1542 B12R0.5 C=CCCCSCCCCCCO 62a_100000766143_100000757094 [1,0,0,0,0,0|3,0,0]=4 1543 B12R0.5 C=CCCCSCCCCCCO 62a_100011713584_100000766143 [1,0,0,0,0,0|3,0,0]=4 1544 B12R0.5 C=CCCCSCCOCCCC 62a_100000743108_100000757094 [1,0,0,0,0,0|3,0,0]=4 1545 B12R0.5 C=CCCCSCCOCCCC 62a_100011713584_100000743108 [1,0,0,0,0,0|3,0,0]=4 1546 B12R0.5 C=CCCNCCCCCCCC 2230a_100000229939_100000754431 [1,0,0,0,0,0|2,0,0]=3 1547 B12R0.5 C=CCCNCCCCCCCC 2230a_100015191253_100000210759 [1,0,0,0,0,0|2,0,0]=3 1548 B12R0.5 C=CCCNCCCCCCCC 34a_100000229939_100000754431 [1,0,0,0,0,0|2,0,0]=3 1549 B12R0.5 C=CCCNCCCCCCCO 2230a_100011996573_100000754431 [1,0,0,0,0,0|3,0,0]=4 1550 B12R0.5 C=CCCNCCCCCCCO 2230a_100015191253_100000760002 [1,0,0,0,0,0|3,0,0]=4 1551 B12R0.5 C=CCCNCCCCCCCO 34a_100011996573_100000754431 [1,0,0,0,0,0|3,0,0]=4 1552 B12R0.5 C=CCCNCCCCCCOC 2230a_100015191253_100011998445 [1,0,0,0,0,0|3,0,0]=4 1553 B12R0.5 C=CCCNCCCOCCCC 2230a_200000211371_100000754431 [1,0,0,0,0,0|3,0,0]=4 1554 B12R0.5 C=CCCNCCCOCCCC 34a_200000211371_100000754431 [1,0,0,0,0,0|3,0,0]=4 1555 B12R0.5 C=CCCOCCCCCCCBr 34a_100000760002_100000754431 [1,0,0,0,0,0|3,0,0]=4 1556 B12R0.5 C=CCCOCCCCCCCBr 7a_100000760002_100000754431 [1,0,0,0,0,0|3,0,0]=4 1557 B12R0.5 C=CCCOCCCCCCCC 34a_100000210232_100000754431 [1,0,0,0,0,0|2,0,0]=3 1558 B12R0.5 C=CCCOCCCCCCCC 34a_100011205117_100000210759 [1,0,0,0,0,0|2,0,0]=3 1559 B12R0.5 C=CCCOCCCCCCCC 7a_100000210232_100000754431 [1,0,0,0,0,0|2,0,0]=3 1560 B12R0.5 C=CCCOCCCCCCCN 34a_100011996573_100000754431 [1,0,0,0,0,0|3,0,0]=4 1561 B12R0.5 C=CCCOCCCCCCCO 34a_100011205117_100000760002 [1,0,0,0,0,0|3,0,0]=4 1562 B12R0.5 C=CCCOCCCCCCOC 34a_100011205117_100011998445 [1,0,0,0,0,0|3,0,0]=4 1563 B12R0.5 C=CCCOCCCCCCOC 34a_200012092642_100000754431 [1,0,0,0,0,0|3,0,0]=4 1564 B12R0.5 C=CCCOCCCCCCOC 7a_200012092642_100000754431 [1,0,0,0,0,0|3,0,0]=4 1565 B12R0.5 C=CCCOCCCOCCCC 34a_200011215613_100000754431 [1,0,0,0,0,0|3,0,0]=4 1566 B12R0.5 C=CCCOCCCOCCCC 7a_200011215613_100000754431 [1,0,0,0,0,0|3,0,0]=4 1567 B12R0.5 C=CCCOCCNCCCCC 34a_100000224656_100000754431 [1,0,0,0,0,0|3,0,0]=4 1568 B12R0.5 C=CCCOCCOCCCCC 34a_100011215259_100000754431 [1,0,0,0,0,0|3,0,0]=4 1569 B12R0.5 C=CCCOCCOCCCCC 7a_100011215259_100000754431 [1,0,0,0,0,0|3,0,0]=4 1570 B12R0.5 C=CCCSCCCCCCCC 62a_100000210759_100000754431 [1,0,0,0,0,0|2,0,0]=3 1571 B12R0.5 C=CCCSCCCCCCCC 62a_100000754431_100000210317 [1,0,0,0,0,0|2,0,0]=3 1572 B12R0.5 C=CCCSCCCCCCCO 62a_100000754431_100000760002 [1,0,0,0,0,0|3,0,0]=4 1573 B12R0.5 C=CCCSCCCCCCCO 62a_100000760002_100000754431 [1,0,0,0,0,0|3,0,0]=4 1574 B12R0.5 C=CCCSCCCCCCOC 62a_100000754431_100011998445 [1,0,0,0,0,0|3,0,0]=4 1575 B12R0.5 C=CCCSCCCCCCOC 62a_100011998445_100000754431 [1,0,0,0,0,0|3,0,0]=4 1576 B12R0.5 C=CCNCCCCCCCCC 2230a_100000212291_100000210623 [1,0,0,0,0,0|2,0,0]=3 1577 B12R0.5 C=CCNCCCCCCCCC 2230a_100020586998_100011214924 [1,0,0,0,0,0|2,0,0]=3 1578 B12R0.5 C=CCNCCCCCCCCC 34a_100000212291_100015514636 [1,0,0,0,0,0|2,0,0]=3 1579 B12R0.5 C=CCNCCCCCCCCO 2230a_100020586998_100000033203 [1,0,0,0,0,0|3,0,0]=4 1580 B12R0.5 C=CCNCCCCCCCCO 2230a_102515433106_100000210623 [1,0,0,0,0,0|3,0,0]=4 1581 B12R0.5 C=CCNCCCCCCCCO 34a_102515433106_100015514636 [1,0,0,0,0,0|3,0,0]=4 1582 B12R0.5 C=CCOCCCCCCCCBr 34a_100009813846_100015514636 [1,0,0,0,0,0|3,0,0]=4 1583 B12R0.5 C=CCOCCCCCCCCBr 7a_100009813846_100015514636 [1,0,0,0,0,0|3,0,0]=4 1584 B12R0.5 C=CCOCCCCCCCCC 34a_100000210712_100015514636 [1,0,0,0,0,0|2,0,0]=3 1585 B12R0.5 C=CCOCCCCCCCCC 34a_200000210373_100011214924 [1,0,0,0,0,0|2,0,0]=3 1586 B12R0.5 C=CCOCCCCCCCCC 7a_100000210712_100015514636 [1,0,0,0,0,0|2,0,0]=3 1587 B12R0.5 C=CCOCCCCCCCCCl 34a_100000033203_100015514636 [1,0,0,0,0,0|3,0,0]=4 1588 B12R0.5 C=CCOCCCCCCCCCl 7a_100000033203_100015514636 [1,0,0,0,0,0|3,0,0]=4 1589 B12R0.5 C=CCOCCCCCCCCN 34a_102515433106_100015514636 [1,0,0,0,0,0|3,0,0]=4 1590 B12R0.5 C=CCOCCCCCCCCO 34a_200000210373_100000033203 [1,0,0,0,0,0|3,0,0]=4 1591 B12R0.5 C=CCOCCCCNCCCC 34a_200011216965_100015514636 [1,0,0,0,0,0|3,0,0]=4 1592 B12R0.5 C=CCOCCCCOCCCC 34a_200000760531_100015514636 [1,0,0,0,0,0|3,0,0]=4 1593 B12R0.5 C=CCOCCCCOCCCC 7a_200000760531_100015514636 [1,0,0,0,0,0|3,0,0]=4 1594 B12R0.5 C=CCOCCOCCCCCC 34a_100000037705_100000210314 [1,0,0,0,0,0|3,0,0]=4 1595 B12R0.5 C=CCOCCOCCCCCC 34a_100000691444_100015514636 [1,0,0,0,0,0|3,0,0]=4 1596 B12R0.5 C=CCOCCOCCCCCC 7a_100000037705_100000210314 [1,0,0,0,0,0|3,0,0]=4 1597 B12R0.5 C=CCOCCOCCCCCC 7a_100000691444_100015514636 [1,0,0,0,0,0|3,0,0]=4 1598 B12R0.5 C=CCSCCCCCCCCC 62a_100000210623_100000210670 [1,0,0,0,0,0|2,0,0]=3 1599 B12R0.5 C=CCSCCCCCCCCO 62a_100000033203_100000210623 [1,0,0,0,0,0|3,0,0]=4 1600 B12R0.5 C=CCSCCCCCCCCO 62a_100000210623_100000033203 [1,0,0,0,0,0|3,0,0]=4 1601 B12R0.5 C=COCCCCOCCCCC 34a_100000031558_100000718602 [1,0,0,0,0,0|3,0,0]=4 1602 B12R0.5 C=COCCCCOCCCCC 7a_100000031558_100000210326 [1,0,0,0,0,0|3,0,0]=4 1603 B12R0.5 C=COCCCNCCCCCC 2230a_100000210767_100000210314 [1,0,0,0,0,0|3,0,0]=4 1604 B12R0.5 C=COCCCNCCCCCC 34a_100000210767_100000210314 [1,0,0,0,0,0|3,0,0]=4 1605 B12R0.5 C=COCCNCCCCCCC 2230a_100000229938_100000039644 [1,0,0,0,0,0|3,0,0]=4 1606 B12R0.5 C=COCCOCCCCCCC 34a_100000033082_100000210614 [1,0,0,0,0,0|3,0,0]=4 1607 B12R0.5 C=COCCOCCCCCCC 34a_100000210272_100000039644 [1,0,0,0,0,0|3,0,0]=4 1608 B12R0.5 C=COCCOCCCCCCC 7a_100000210272_100000039644 [1,0,0,0,0,0|3,0,0]=4 1609 B12R0.5 C=COCCSCCCCCCC 62a_100000039644_100000210316 [1,0,0,0,0,0|3,0,0]=4 1610 B12R0.5 C=COCCSCCCCCCC 62a_100000210614_100000039644 [1,0,0,0,0,0|3,0,0]=4 1611 B12R0.5 CC/C=C/CCCOCCCC=O 7a_100016287902_200011292268 [1,0,0,0,0,0|1,0,2]=4 1612 B12R0.5 CC/C=C\CCCCCOCC=O 34a_100016268722_200009817547 [1,0,0,0,0,0|1,0,2]=4 1613 B12R0.5 CC/C=C\CCCCCOCC=O 7a_100016268722_200015260668 [1,0,0,0,0,0|1,0,2]=4 1614 B12R0.5 CC/C=C\CCOCCCCC=O 7a_100016288707_100000139335 [1,0,0,0,0,0|1,0,2]=4 1615 B12R0.5 CC/C=C\CCSCCCCC=O 62a_100000139335_100015370543 [1,0,0,0,0,0|1,0,2]=4 1616 B12R0.5 CC/C=C\CCSCCCCC=O 62a_100015370543_100000139335 [1,0,0,0,0,0|1,0,2]=4 1617 B12R0.5 CC/C=C\CSCCCCCC=O 62a_100000139337_100103147603 [1,0,0,0,0,0|1,0,2]=4 1618 B12R0.5 CC/C=C\CSCCCCCC=O 62a_100103147603_100000139337 [1,0,0,0,0,0|1,0,2]=4 1619 B12R0.5 CC=CCCCOCCCCCC 34a_100020645299_100000210314 [1,0,0,0,0,0|2,0,1]=4 1620 B12R0.5 CC=CCNCCCCCCCC 2230a_100000229939_100000070051 [1,0,0,0,0,0|2,0,1]=4 1621 B12R0.5 CC=CCNCCCCCCCC 34a_100000229939_100000070051 [1,0,0,0,0,0|2,0,1]=4 1622 B12R0.5 CC=CCOCCCCCCCC 34a_100000210232_100000070051 [1,0,0,0,0,0|2,0,1]=4 1623 B12R0.5 CC=CCOCCCCCCCC 7a_100000210232_100000070051 [1,0,0,0,0,0|2,0,1]=4 1624 B12R0.5 CC=CCSCCCCCCCC 62a_100000070051_100000210317 [1,0,0,0,0,0|2,0,1]=4 1625 B12R0.5 CC=CCSCCCCCCCC 62a_100000210759_100000070051 [1,0,0,0,0,0|2,0,1]=4 1626 B12R0.5 CCC#CCCOCCCCC=O 7a_100000036655_100000139335 [1,0,0,0,0,0|1,0,2]=4 1627 B12R0.5 CCC#CCSCCCCCC=O 62a_100000139337_100009813939 [1,0,0,0,0,0|1,0,2]=4 1628 B12R0.5 CCC#CCSCCCCCC=O 62a_100009813939_100000139337 [1,0,0,0,0,0|1,0,2]=4 1629 B12R0.5 CCC/C=C/COCCCCC=O 7a_100016278788_100000139335 [1,0,0,0,0,0|1,0,2]=4 1630 B12R0.5 CCCC#CCCOCCCC=O 7a_100000042726_200011292268 [1,0,0,0,0,0|1,0,2]=4 1631 B12R0.5 CCCC#CCOCCCCC=O 7a_100000034806_100000139335 [1,0,0,0,0,0|1,0,2]=4 1632 B12R0.5 CCCC/C=C/COCCCC=O 7a_200016272032_200011292268 [1,0,0,0,0,0|1,0,2]=4 1633 B12R0.5 CCCCC#CCCCSCC=O 62a_200000047210_200015260668 [1,0,0,0,0,0|1,0,2]=4 1634 B12R0.5 CCCCC#CCCCSCC=O 62a_200015260668_200000047210 [1,0,0,0,0,0|1,0,2]=4 1635 B12R0.5 CCCCC#CCOCCCC=O 7a_200000034558_200011292268 [1,0,0,0,0,0|1,0,2]=4 1636 B12R0.5 CCCCC/C=C\CCOCC=O 34a_100016277358_200009817547 [1,0,0,0,0,0|1,0,2]=4 1637 B12R0.5 CCCCC/C=C\CCOCC=O 7a_100016277358_200015260668 [1,0,0,0,0,0|1,0,2]=4 1638 B12R0.5 CCCCCC#CCCOCC=O 34a_200000042877_200009817547 [1,0,0,0,0,0|1,0,2]=4 1639 B12R0.5 CCCCCC#CCCOCC=O 7a_200000042877_200015260668 [1,0,0,0,0,0|1,0,2]=4 1640 B12R0.5 CCCCCC/C=C/COCC=O 34a_200016276170_200009817547 [1,0,0,0,0,0|1,0,2]=4 1641 B12R0.5 CCCCCC/C=C/COCC=O 7a_200016276170_200015260668 [1,0,0,0,0,0|1,0,2]=4 1642 B12R0.5 CCCCCCC#CCOCC=O 34a_200000037284_200009817547 [1,0,0,0,0,0|1,0,2]=4 1643 B12R0.5 CCCCCCC#CCOCC=O 7a_200000037284_200015260668 [1,0,0,0,0,0|1,0,2]=4 1644 B12R0.5 CCCCCCCCCCCNC 2230a_106832991635_100011215454 [1,0,0,0,0,0|2,0,0]=3 1645 B12R0.5 CCCCCCCCCCCNC 2230a_200011215754_200000210301 [1,0,0,0,0,0|2,0,0]=3 1646 B12R0.5 CCCCCCCCCCCNC 34a_100102657272_100011215454 [1,0,0,0,0,0|2,0,0]=3 1647 B12R0.5 CCCCCCCCCCCNC 34a_200011215754_200000210301 [1,0,0,0,0,0|2,0,0]=3 1648 B12R0.5 CCCCCCCCCCCNC 7a_106832991635_100011215454 [1,0,0,0,0,0|2,0,0]=3 1649 B12R0.5 CCCCCCCCCCCN[13CH3] 2230a_200011215754_200025704644 [1,0,0,0,0,0|2,0,0]=3 1650 B12R0.5 CCCCCCCCCCCN[13CH3] 34a_200011215754_200025704644 [1,0,0,0,0,0|2,0,0]=3 1651 B12R0.5 CCCCCCCCCCCOC 34a_100000210809_200000210301 [1,0,0,0,0,0|2,0,0]=3 1652 B12R0.5 CCCCCCCCCCCOC 34a_100138415774_100011215454 [1,0,0,0,0,0|2,0,0]=3 1653 B12R0.5 CCCCCCCCCCCOC 7a_100000210809_200000210301 [1,0,0,0,0,0|2,0,0]=3 1654 B12R0.5 CCCCCCCCCCCO[13CH3] 34a_100000210809_200025704644 [1,0,0,0,0,0|2,0,0]=3 1655 B12R0.5 CCCCCCCCCCCO[13CH3] 7a_100000210809_200025704644 [1,0,0,0,0,0|2,0,0]=3 1656 B12R0.5 CCCCCCCCCCCSC 62a_200000210301_100011215454 [1,0,0,0,0,0|2,0,0]=3 1657 B12R0.5 CCCCCCCCCCCS[13CH3] 62a_200025704644_100011215454 [1,0,0,0,0,0|2,0,0]=3 1658 B12R0.5 CCCCCCCCCCNCC 2230a_100000684558_100000210202 [1,0,0,0,0,0|2,0,1]=4 1659 B12R0.5 CCCCCCCCCCNCC 2230a_100015525214_100000210320 [1,0,0,0,0,0|2,0,1]=4 1660 B12R0.5 CCCCCCCCCCNCC 34a_100000684558_100000210202 [1,0,0,0,0,0|2,0,1]=4 1661 B12R0.5 CCCCCCCCCCNCF 34a_100000684558_100015361967 [1,0,0,0,0,0|1,1,1]=4 1662 B12R0.5 CCCCCCCCCCOCC 34a_100000210711_100000210202 [1,0,0,0,0,0|2,0,1]=4 1663 B12R0.5 CCCCCCCCCCOCC 34a_100121572206_100000210320 [1,0,0,0,0,0|2,0,1]=4 1664 B12R0.5 CCCCCCCCCCOCC 7a_100000210711_100000210202 [1,0,0,0,0,0|2,0,1]=4 1665 B12R0.5 CCCCCCCCCCOCF 34a_100000210711_100015361967 [1,0,0,0,0,0|1,1,1]=4 1666 B12R0.5 CCCCCCCCCCOCF 7a_100000210711_100015361967 [1,0,0,0,0,0|1,1,1]=4 1667 B12R0.5 CCCCCCCCCCSCC 62a_100000210202_100000210320 [1,0,0,0,0,0|2,0,1]=4 1668 B12R0.5 CCCCCCCCCCSCF 62a_100015361967_100000210320 [1,0,0,0,0,0|1,1,1]=4 1669 B12R0.5 CCCCCCCCCNCC#N 2230a_100000212291_100011215382 [1,0,0,0,0,0|2,0,1]=4 1670 B12R0.5 CCCCCCCCCNCC=O 2230a_100000212291_200015260668 [1,0,0,0,0,0|1,0,0]=2 1671 B12R0.5 CCCCCCCCCNCC=O 34a_100000212291_200009817547 [1,0,0,0,0,0|1,0,0]=2 1672 B12R0.5 CCCCCCCCCNCCC 2230a_100000212291_100000210303 [1,0,0,0,0,0|2,0,1]=4 1673 B12R0.5 CCCCCCCCCNCCC 34a_100000212291_100000210303 [1,0,0,0,0,0|2,0,1]=4 1674 B12R0.5 CCCCCCCCCNCCF 2230a_100000212291_100011217306 [1,0,0,0,0,0|1,1,1]=4 1675 B12R0.5 CCCCCCCCCNCCF 34a_100000212291_100011217306 [1,0,0,0,0,0|1,1,1]=4 1676 B12R0.5 CCCCCCCCCNCCF 34a_100000724931_100011214924 [1,0,0,0,0,0|1,1,1]=4 1677 B12R0.5 CCCCCCCCCNCCO 2230a_100000212291_100000211926 [1,0,0,0,0,0|1,0,2]=4 1678 B12R0.5 CCCCCCCCCNCCO 2230a_100016997473_100011214924 [1,0,0,0,0,0|1,0,2]=4 1679 B12R0.5 CCCCCCCCCNCCO 34a_100000212291_100000211926 [1,0,0,0,0,0|1,0,2]=4 1680 B12R0.5 CCCCCCCCCNCCO 34a_100016990907_100011214924 [1,0,0,0,0,0|1,0,2]=4 1681 B12R0.5 CCCCCCCCCNCOC 2230a_100000212291_100000766300 [1,0,0,0,0,0|3,0,0]=4 1682 B12R0.5 CCCCCCCCCNCSC 2230a_100000212291_100011218213 [1,0,0,0,0,0|3,0,0]=4 1683 B12R0.5 CCCCCCCCCNCSC 34a_100000212291_100011218213 [1,0,0,0,0,0|3,0,0]=4 1684 B12R0.5 CCCCCCCCCOCC#N 7a_100000210712_100011215382 [1,0,0,0,0,0|2,0,1]=4 1685 B12R0.5 CCCCCCCCCOCC=O 34a_100000210712_200009817547 [1,0,0,0,0,0|1,0,0]=2 1686 B12R0.5 CCCCCCCCCOCC=O 7a_100000210712_200015260668 [1,0,0,0,0,0|1,0,0]=2 1687 B12R0.5 CCCCCCCCCOCCBr 34a_100000211926_100011214924 [1,0,0,0,0,0|1,1,1]=4 1688 B12R0.5 CCCCCCCCCOCCC 34a_100000210258_100011214924 [1,0,0,0,0,0|2,0,1]=4 1689 B12R0.5 CCCCCCCCCOCCC 34a_100000210712_100000210303 [1,0,0,0,0,0|2,0,1]=4 1690 B12R0.5 CCCCCCCCCOCCC 7a_100000210712_100000210303 [1,0,0,0,0,0|2,0,1]=4 1691 B12R0.5 CCCCCCCCCOCCF 34a_100000210712_100011217306 [1,0,0,0,0,0|1,1,1]=4 1692 B12R0.5 CCCCCCCCCOCCF 7a_100000210712_100011217306 [1,0,0,0,0,0|1,1,1]=4 1693 B12R0.5 CCCCCCCCCOCCN 34a_100000210304_100011214924 [1,0,0,0,0,0|2,0,1]=4 1694 B12R0.5 CCCCCCCCCOCCO 34a_100000210712_100000211926 [1,0,0,0,0,0|1,0,2]=4 1695 B12R0.5 CCCCCCCCCOCCO 7a_100000210712_100000211926 [1,0,0,0,0,0|1,0,2]=4 1696 B12R0.5 CCCCCCCCCOCSC 34a_100000210712_100011218213 [1,0,0,0,0,0|3,0,0]=4 1697 B12R0.5 CCCCCCCCCSCC#N 62a_100011215382_100000210670 [1,0,0,0,0,0|2,0,1]=4 1698 B12R0.5 CCCCCCCCCSCC=O 62a_200015260668_100000210670 [1,0,0,0,0,0|1,0,0]=2 1699 B12R0.5 CCCCCCCCCSCCC 62a_100000210303_100000210670 [1,0,0,0,0,0|2,0,1]=4 1700 B12R0.5 CCCCCCCCCSCCF 62a_100011217306_100000210670 [1,0,0,0,0,0|1,1,1]=4 1701 B12R0.5 CCCCCCCCCSCCO 62a_100000211926_100000210670 [1,0,0,0,0,0|1,0,2]=4 1702 B12R0.5 CCCCCCCCCSCOC 62a_100000766300_100000210670 [1,0,0,0,0,0|3,0,0]=4 1703 B12R0.5 CCCCCCCCCSCSC 62a_100011218213_100000210670 [1,0,0,0,0,0|3,0,0]=4 1704 B12R0.5 CCCCCCCCNCCC#N 2230a_100000229939_100011215226 [1,0,0,0,0,0|2,0,1]=4 1705 B12R0.5 CCCCCCCCNCCCC 2230a_100000102301_100000210759 [1,0,0,0,0,0|2,0,1]=4 1706 B12R0.5 CCCCCCCCNCCCC 2230a_100000229939_100000210211 [1,0,0,0,0,0|2,0,1]=4 1707 B12R0.5 CCCCCCCCNCCCC 34a_100000229939_100000210210 [1,0,0,0,0,0|2,0,1]=4 1708 B12R0.5 CCCCCCCCNCCCC 7a_106832991798_100000210759 [1,0,0,0,0,0|2,0,1]=4 1709 B12R0.5 CCCCCCCCNCCCF 2230a_100000229939_100011934791 [1,0,0,0,0,0|1,1,1]=4 1710 B12R0.5 CCCCCCCCNCCCF 2230a_100015189416_100000210759 [1,0,0,0,0,0|1,1,1]=4 1711 B12R0.5 CCCCCCCCNCCCF 34a_100000229939_100011934791 [1,0,0,0,0,0|1,1,1]=4 1712 B12R0.5 CCCCCCCCNCCCF 34a_100015189416_100000210759 [1,0,0,0,0,0|1,1,1]=4 1713 B12R0.5 CCCCCCCCNCCCO 2230a_100000229939_100000230001 [1,0,0,0,0,0|1,0,2]=4 1714 B12R0.5 CCCCCCCCNCCCO 34a_100000229939_100000230001 [1,0,0,0,0,0|1,0,2]=4 1715 B12R0.5 CCCCCCCCNCCOC 2230a_100000209980_100000210759 [1,0,0,0,0,0|3,0,0]=4 1716 B12R0.5 CCCCCCCCNCCOC 2230a_100000229939_100011201679 [1,0,0,0,0,0|3,0,0]=4 1717 B12R0.5 CCCCCCCCNCCOC 34a_100000229939_100011201679 [1,0,0,0,0,0|3,0,0]=4 1718 B12R0.5 CCCCCCCCNCCSC 2230a_100000229939_100000751147 [1,0,0,0,0,0|3,0,0]=4 1719 B12R0.5 CCCCCCCCNCCSC 2230a_100020590264_100000210759 [1,0,0,0,0,0|3,0,0]=4 1720 B12R0.5 CCCCCCCCNCCSC 34a_100000229939_100000212216 [1,0,0,0,0,0|3,0,0]=4 1721 B12R0.5 CCCCCCCCOCCC#N 7a_100000210232_100000184422 [1,0,0,0,0,0|2,0,1]=4 1722 B12R0.5 CCCCCCCCOCCCBr 34a_100011217188_100000210759 [1,0,0,0,0,0|1,1,1]=4 1723 B12R0.5 CCCCCCCCOCCCC 34a_100000210227_100000210759 [1,0,0,0,0,0|2,0,1]=4 1724 B12R0.5 CCCCCCCCOCCCC 34a_100000210232_100000210210 [1,0,0,0,0,0|2,0,1]=4 1725 B12R0.5 CCCCCCCCOCCCC 7a_100000210227_100000210759 [1,0,0,0,0,0|2,0,1]=4 1726 B12R0.5 CCCCCCCCOCCCC 7a_100000210232_100000210211 [1,0,0,0,0,0|2,0,1]=4 1727 B12R0.5 CCCCCCCCOCCCCl 34a_100000230001_100000210759 [1,0,0,0,0,0|1,0,1]=3 1728 B12R0.5 CCCCCCCCOCCCF 34a_100000210232_100011934791 [1,0,0,0,0,0|1,1,1]=4 1729 B12R0.5 CCCCCCCCOCCCF 34a_100000759539_100000210759 [1,0,0,0,0,0|1,1,1]=4 1730 B12R0.5 CCCCCCCCOCCCF 7a_100000210232_100011934791 [1,0,0,0,0,0|1,1,1]=4 1731 B12R0.5 CCCCCCCCOCCCN 34a_100000182051_100000210759 [1,0,0,0,0,0|2,0,1]=4 1732 B12R0.5 CCCCCCCCOCCCO 34a_100000210232_100000230001 [1,0,0,0,0,0|1,0,2]=4 1733 B12R0.5 CCCCCCCCOCCCO 7a_100000210232_100011215043 [1,0,0,0,0,0|1,0,2]=4 1734 B12R0.5 CCCCCCCCOCCOC 34a_100000210232_100011201679 [1,0,0,0,0,0|3,0,0]=4 1735 B12R0.5 CCCCCCCCOCCOC 34a_100000210237_100000210759 [1,0,0,0,0,0|3,0,0]=4 1736 B12R0.5 CCCCCCCCOCCOC 7a_100000210232_100000233755 [1,0,0,0,0,0|3,0,0]=4 1737 B12R0.5 CCCCCCCCOCCON 34a_100000700252_100000210759 [1,0,0,0,0,0|3,0,0]=4 1738 B12R0.5 CCCCCCCCOCCSC 34a_100000210232_100000212216 [1,0,0,0,0,0|3,0,0]=4 1739 B12R0.5 CCCCCCCCOCCSC 34a_100000230434_100000210759 [1,0,0,0,0,0|3,0,0]=4 1740 B12R0.5 CCCCCCCCOCCSC 7a_100000210232_100000212216 [1,0,0,0,0,0|3,0,0]=4 1741 B12R0.5 CCCCCCCCOCCSC 7a_100000230434_100000210759 [1,0,0,0,0,0|3,0,0]=4 1742 B12R0.5 CCCCCCCCSCCC#N 62a_100000210759_100011215226 [1,0,0,0,0,0|2,0,1]=4 1743 B12R0.5 CCCCCCCCSCCC#N 62a_100011215226_100000210317 [1,0,0,0,0,0|2,0,1]=4 1744 B12R0.5 CCCCCCCCSCCCC 62a_100000210211_100000210317 [1,0,0,0,0,0|2,0,1]=4 1745 B12R0.5 CCCCCCCCSCCCC 62a_100000210759_100000210210 [1,0,0,0,0,0|2,0,1]=4 1746 B12R0.5 CCCCCCCCSCCCF 62a_100000210759_100011934791 [1,0,0,0,0,0|1,1,1]=4 1747 B12R0.5 CCCCCCCCSCCCF 62a_100011934791_100000210317 [1,0,0,0,0,0|1,1,1]=4 1748 B12R0.5 CCCCCCCCSCCCO 62a_100000210759_100011215043 [1,0,0,0,0,0|1,0,2]=4 1749 B12R0.5 CCCCCCCCSCCCO 62a_100011215043_100000210317 [1,0,0,0,0,0|1,0,2]=4 1750 B12R0.5 CCCCCCCCSCCOC 62a_100000210759_100000233755 [1,0,0,0,0,0|3,0,0]=4 1751 B12R0.5 CCCCCCCCSCCOC 62a_100000233755_100000210317 [1,0,0,0,0,0|3,0,0]=4 1752 B12R0.5 CCCCCCCCSCCSC 62a_100000210759_100000751147 [1,0,0,0,0,0|3,0,0]=4 1753 B12R0.5 CCCCCCCCSCCSC 62a_100000212216_100000210317 [1,0,0,0,0,0|3,0,0]=4 1754 B12R0.5 CCCCCCCNCCCC#N 2230a_100000229938_100000687738 [1,0,0,0,0,0|2,0,1]=4 1755 B12R0.5 CCCCCCCNCCCC=O 2230a_100000229938_200011292268 [1,0,0,0,0,0|1,0,0]=2 1756 B12R0.5 CCCCCCCNCCCCC 2230a_100000209983_100000210681 [1,0,0,0,0,0|2,0,1]=4 1757 B12R0.5 CCCCCCCNCCCCC 2230a_100000229938_100000210326 [1,0,0,0,0,0|2,0,1]=4 1758 B12R0.5 CCCCCCCNCCCCF 2230a_100000229938_100000729493 [1,0,0,0,0,0|1,1,1]=4 1759 B12R0.5 CCCCCCCNCCCCO 2230a_100000229938_100000210776 [1,0,0,0,0,0|1,0,2]=4 1760 B12R0.5 CCCCCCCNCCCCO 2230a_100000750430_100000210681 [1,0,0,0,0,0|1,0,2]=4 1761 B12R0.5 CCCCCCCNCCCCO 34a_100000750430_100000210614 [1,0,0,0,0,0|1,0,2]=4 1762 B12R0.5 CCCCCCCNCCCOC 2230a_100000229938_100000740836 [1,0,0,0,0,0|3,0,0]=4 1763 B12R0.5 CCCCCCCNCCCOC 34a_100150723488_100000210614 [1,0,0,0,0,0|3,0,0]=4 1764 B12R0.5 CCCCCCCNCCCSC 2230a_100000749238_100000210681 [1,0,0,0,0,0|3,0,0]=4 1765 B12R0.5 CCCCCCCOCCCC#N 7a_100000210272_100000687738 [1,0,0,0,0,0|2,0,1]=4 1766 B12R0.5 CCCCCCCOCCCC=O 7a_100000210272_200011292268 [1,0,0,0,0,0|1,0,0]=2 1767 B12R0.5 CCCCCCCOCCCCBr 34a_100011216708_100000210614 [1,0,0,0,0,0|1,1,1]=4 1768 B12R0.5 CCCCCCCOCCCCC 34a_100000210253_100000210614 [1,0,0,0,0,0|2,0,1]=4 1769 B12R0.5 CCCCCCCOCCCCC 34a_100000210272_100000718602 [1,0,0,0,0,0|2,0,1]=4 1770 B12R0.5 CCCCCCCOCCCCC 7a_100000210253_100000210614 [1,0,0,0,0,0|2,0,1]=4 1771 B12R0.5 CCCCCCCOCCCCC 7a_100000210272_100000210326 [1,0,0,0,0,0|2,0,1]=4 1772 B12R0.5 CCCCCCCOCCCCCl 34a_100000210776_100000210614 [1,0,0,0,0,0|1,0,1]=3 1773 B12R0.5 CCCCCCCOCCCCCl 7a_100000210776_100000210614 [1,0,0,0,0,0|1,0,1]=3 1774 B12R0.5 CCCCCCCOCCCCF 34a_100000210272_100000729493 [1,0,0,0,0,0|1,1,1]=4 1775 B12R0.5 CCCCCCCOCCCCF 34a_100011995726_100000210614 [1,0,0,0,0,0|1,1,1]=4 1776 B12R0.5 CCCCCCCOCCCCF 7a_100000210272_100000729493 [1,0,0,0,0,0|1,1,1]=4 1777 B12R0.5 CCCCCCCOCCCCF 7a_100011995726_100000210614 [1,0,0,0,0,0|1,1,1]=4 1778 B12R0.5 CCCCCCCOCCCCI 34a_200012148704_100000210614 [1,0,0,0,0,0|1,1,1]=4 1779 B12R0.5 CCCCCCCOCCCCN 34a_100000750430_100000210614 [1,0,0,0,0,0|2,0,1]=4 1780 B12R0.5 CCCCCCCOCCCCO 34a_100000210272_100011216708 [1,0,0,0,0,0|1,0,2]=4 1781 B12R0.5 CCCCCCCOCCCCO 7a_100000210272_100000210776 [1,0,0,0,0,0|1,0,2]=4 1782 B12R0.5 CCCCCCCOCCCNC 34a_100000213112_100000210614 [1,0,0,0,0,0|3,0,0]=4 1783 B12R0.5 CCCCCCCOCCCOC 34a_100000210272_100000740836 [1,0,0,0,0,0|3,0,0]=4 1784 B12R0.5 CCCCCCCOCCCOC 34a_100000740835_100000210614 [1,0,0,0,0,0|3,0,0]=4 1785 B12R0.5 CCCCCCCOCCCOC 7a_100000210272_100000740836 [1,0,0,0,0,0|3,0,0]=4 1786 B12R0.5 CCCCCCCOCCCSC 34a_100000690336_100000210614 [1,0,0,0,0,0|3,0,0]=4 1787 B12R0.5 CCCCCCCOCCCSC 7a_100000690336_100000210614 [1,0,0,0,0,0|3,0,0]=4 1788 B12R0.5 CCCCCCCSCCCC#N 62a_100000210614_100000687738 [1,0,0,0,0,0|2,0,1]=4 1789 B12R0.5 CCCCCCCSCCCC#N 62a_100000687738_100000210316 [1,0,0,0,0,0|2,0,1]=4 1790 B12R0.5 CCCCCCCSCCCC=O 62a_100000210614_200011292268 [1,0,0,0,0,0|1,0,0]=2 1791 B12R0.5 CCCCCCCSCCCC=O 62a_200011292268_100000210316 [1,0,0,0,0,0|1,0,0]=2 1792 B12R0.5 CCCCCCCSCCCCC 62a_100000210326_100000210316 [1,0,0,0,0,0|2,0,1]=4 1793 B12R0.5 CCCCCCCSCCCCC 62a_100000210614_100000210326 [1,0,0,0,0,0|2,0,1]=4 1794 B12R0.5 CCCCCCCSCCCCF 62a_100000210614_100000729493 [1,0,0,0,0,0|1,1,1]=4 1795 B12R0.5 CCCCCCCSCCCCF 62a_100000729493_100000210316 [1,0,0,0,0,0|1,1,1]=4 1796 B12R0.5 CCCCCCCSCCCCO 62a_100000210614_100000210776 [1,0,0,0,0,0|1,0,2]=4 1797 B12R0.5 CCCCCCCSCCCCO 62a_100000210776_100000210316 [1,0,0,0,0,0|1,0,2]=4 1798 B12R0.5 CCCCCCCSCCCOC 62a_100000210614_100000709357 [1,0,0,0,0,0|3,0,0]=4 1799 B12R0.5 CCCCCCCSCCCOC 62a_100000709357_100000210316 [1,0,0,0,0,0|3,0,0]=4 1800 B12R0.5 CCCCCCNCCCCC#N 2230a_100000210581_100000211819 [1,0,0,0,0,0|2,0,1]=4 1801 B12R0.5 CCCCCCNCCCCC=O 2230a_100000210581_100000139335 [1,0,0,0,0,0|1,0,0]=2 1802 B12R0.5 CCCCCCNCCCCCC 2230a_100000210581_100000210314 [1,0,0,0,0,0|2,0,1]=4 1803 B12R0.5 CCCCCCNCCCCCF 2230a_100000210581_100000729378 [1,0,0,0,0,0|1,1,1]=4 1804 B12R0.5 CCCCCCNCCCCCO 2230a_100000210581_100000746330 [1,0,0,0,0,0|1,0,2]=4 1805 B12R0.5 CCCCCCNCCCCCO 2230a_100000762737_100000210314 [1,0,0,0,0,0|1,0,2]=4 1806 B12R0.5 CCCCCCNCCCCCO 34a_100000762737_100000210314 [1,0,0,0,0,0|1,0,2]=4 1807 B12R0.5 CCCCCCNCCCCOC 2230a_100000210581_100000730899 [1,0,0,0,0,0|3,0,0]=4 1808 B12R0.5 CCCCCCOCCCCC#N 7a_100000210259_100000211819 [1,0,0,0,0,0|2,0,1]=4 1809 B12R0.5 CCCCCCOCCCCC=O 7a_100000210259_100000139335 [1,0,0,0,0,0|1,0,0]=2 1810 B12R0.5 CCCCCCOCCCCCBr 34a_100000746331_100000210314 [1,0,0,0,0,0|1,1,1]=4 1811 B12R0.5 CCCCCCOCCCCCBr 7a_100000746331_100000210314 [1,0,0,0,0,0|1,1,1]=4 1812 B12R0.5 CCCCCCOCCCCCC 34a_100000210259_100000210314 [1,0,0,0,0,0|2,0,1]=4 1813 B12R0.5 CCCCCCOCCCCCC 7a_100000210259_100000210314 [1,0,0,0,0,0|2,0,1]=4 1814 B12R0.5 CCCCCCOCCCCCCl 34a_100000746330_100000210314 [1,0,0,0,0,0|1,0,1]=3 1815 B12R0.5 CCCCCCOCCCCCCl 7a_100000746330_100000210314 [1,0,0,0,0,0|1,0,1]=3 1816 B12R0.5 CCCCCCOCCCCCF 34a_100000210259_100000729378 [1,0,0,0,0,0|1,1,1]=4 1817 B12R0.5 CCCCCCOCCCCCF 7a_100000210259_100000729378 [1,0,0,0,0,0|1,1,1]=4 1818 B12R0.5 CCCCCCOCCCCCI 34a_200012148887_100000210314 [1,0,0,0,0,0|1,1,1]=4 1819 B12R0.5 CCCCCCOCCCCCI 7a_200012148887_100000210314 [1,0,0,0,0,0|1,1,1]=4 1820 B12R0.5 CCCCCCOCCCCCN 34a_100000762737_100000210314 [1,0,0,0,0,0|2,0,1]=4 1821 B12R0.5 CCCCCCOCCCCCO 34a_100000210259_100000746330 [1,0,0,0,0,0|1,0,2]=4 1822 B12R0.5 CCCCCCOCCCCCO 7a_100000210259_100000746330 [1,0,0,0,0,0|1,0,2]=4 1823 B12R0.5 CCCCCCOCCCCOC 34a_100000210259_100000755781 [1,0,0,0,0,0|3,0,0]=4 1824 B12R0.5 CCCCCCOCCCCOC 34a_100000740925_100000210314 [1,0,0,0,0,0|3,0,0]=4 1825 B12R0.5 CCCCCCOCCCCOC 7a_100000210259_100000730899 [1,0,0,0,0,0|3,0,0]=4 1826 B12R0.5 CCCCCCOCCCCSC 34a_100011217163_100000210314 [1,0,0,0,0,0|3,0,0]=4 1827 B12R0.5 CCCCCCOCCCCSC 7a_100011217163_100000210314 [1,0,0,0,0,0|3,0,0]=4 1828 B12R0.5 CCCCCCOCCOCC=O 34a_100000691444_200009817547 [1,0,0,0,0,0|2,0,0]=3 1829 B12R0.5 CCCCCCOCCOCC=O 7a_100000691444_200015260668 [1,0,0,0,0,0|2,0,0]=3 1830 B12R0.5 CCCCCCOCCOCCCl 34a_100011215305_100000210314 [1,0,0,0,0,0|2,0,1]=4 1831 B12R0.5 CCCCCCOCCOCCCl 7a_100011215305_100000210314 [1,0,0,0,0,0|2,0,1]=4 1832 B12R0.5 CCCCCCSCCCCC#N 62a_100000210314_100000211819 [1,0,0,0,0,0|2,0,1]=4 1833 B12R0.5 CCCCCCSCCCCC#N 62a_100011219923_100000210757 [1,0,0,0,0,0|2,0,1]=4 1834 B12R0.5 CCCCCCSCCCCC=O 62a_100000139335_100000210757 [1,0,0,0,0,0|1,0,0]=2 1835 B12R0.5 CCCCCCSCCCCC=O 62a_100000210314_100000139335 [1,0,0,0,0,0|1,0,0]=2 1836 B12R0.5 CCCCCCSCCCCCC 62a_100000210314_100000210757 [1,0,0,0,0,0|2,0,1]=4 1837 B12R0.5 CCCCCCSCCCCCF 62a_100000210314_100000729378 [1,0,0,0,0,0|1,1,1]=4 1838 B12R0.5 CCCCCCSCCCCCF 62a_100000729378_100000210757 [1,0,0,0,0,0|1,1,1]=4 1839 B12R0.5 CCCCCCSCCCCCO 62a_100000210314_100000746330 [1,0,0,0,0,0|1,0,2]=4 1840 B12R0.5 CCCCCCSCCCCCO 62a_100000746330_100000210757 [1,0,0,0,0,0|1,0,2]=4 1841 B12R0.5 CCCCCCSCCCCOC 62a_100000210314_100000730899 [1,0,0,0,0,0|3,0,0]=4 1842 B12R0.5 CCCCCCSCCCCOC 62a_100000730899_100000210757 [1,0,0,0,0,0|3,0,0]=4 1843 B12R0.5 CCCCCNCCCCCC#N 2230a_100000209983_100009813376 [1,0,0,0,0,0|2,0,1]=4 1844 B12R0.5 CCCCCNCCCCCC=O 2230a_100000209983_100000139337 [1,0,0,0,0,0|1,0,0]=2 1845 B12R0.5 CCCCCNCCCCCCF 2230a_100000209983_100015922095 [1,0,0,0,0,0|1,1,1]=4 1846 B12R0.5 CCCCCNCCCCCCO 2230a_100000209983_100000766143 [1,0,0,0,0,0|1,0,2]=4 1847 B12R0.5 CCCCCNCCCCCCO 2230a_100000686447_100000210326 [1,0,0,0,0,0|1,0,2]=4 1848 B12R0.5 CCCCCNCCCCCCO 34a_100000686447_100000718602 [1,0,0,0,0,0|1,0,2]=4 1849 B12R0.5 CCCCCNCCCCCOC 2230a_100000747528_100000210326 [1,0,0,0,0,0|3,0,0]=4 1850 B12R0.5 CCCCCNCCCCCOC 34a_100000747528_100000718602 [1,0,0,0,0,0|3,0,0]=4 1851 B12R0.5 CCCCCOCCCCCC#N 7a_100000210253_100009813376 [1,0,0,0,0,0|2,0,1]=4 1852 B12R0.5 CCCCCOCCCCCC=O 7a_100000210253_100000139337 [1,0,0,0,0,0|1,0,0]=2 1853 B12R0.5 CCCCCOCCCCCCBr 34a_100011215345_100000718602 [1,0,0,0,0,0|1,1,1]=4 1854 B12R0.5 CCCCCOCCCCCCBr 7a_100011215345_100000210326 [1,0,0,0,0,0|1,1,1]=4 1855 B12R0.5 CCCCCOCCCCCCCl 34a_100000766143_100000718602 [1,0,0,0,0,0|1,0,1]=3 1856 B12R0.5 CCCCCOCCCCCCCl 7a_100000766143_100000210326 [1,0,0,0,0,0|1,0,1]=3 1857 B12R0.5 CCCCCOCCCCCCF 34a_100000210253_100015922095 [1,0,0,0,0,0|1,1,1]=4 1858 B12R0.5 CCCCCOCCCCCCF 34a_100000732779_100000718602 [1,0,0,0,0,0|1,1,1]=4 1859 B12R0.5 CCCCCOCCCCCCF 7a_100000210253_100015922095 [1,0,0,0,0,0|1,1,1]=4 1860 B12R0.5 CCCCCOCCCCCCF 7a_100000732779_100000210326 [1,0,0,0,0,0|1,1,1]=4 1861 B12R0.5 CCCCCOCCCCCCN 34a_100000686447_100000718602 [1,0,0,0,0,0|2,0,1]=4 1862 B12R0.5 CCCCCOCCCCCCO 34a_100000210253_100000766143 [1,0,0,0,0,0|1,0,2]=4 1863 B12R0.5 CCCCCOCCCCCCO 7a_100000210253_100000766143 [1,0,0,0,0,0|1,0,2]=4 1864 B12R0.5 CCCCCOCCCCCNC 34a_100000722520_100000718602 [1,0,0,0,0,0|3,0,0]=4 1865 B12R0.5 CCCCCSCCCCCC#N 62a_100000210326_100009813376 [1,0,0,0,0,0|2,0,1]=4 1866 B12R0.5 CCCCCSCCCCCC#N 62a_100009813376_100000210326 [1,0,0,0,0,0|2,0,1]=4 1867 B12R0.5 CCCCCSCCCCCC=O 62a_100000139337_100000210326 [1,0,0,0,0,0|1,0,0]=2 1868 B12R0.5 CCCCCSCCCCCC=O 62a_100000210326_100000139337 [1,0,0,0,0,0|1,0,0]=2 1869 B12R0.5 CCCCCSCCCCCCF 62a_100000210326_100015922095 [1,0,0,0,0,0|1,1,1]=4 1870 B12R0.5 CCCCCSCCCCCCF 62a_100015922095_100000210326 [1,0,0,0,0,0|1,1,1]=4 1871 B12R0.5 CCCCCSCCCCCCO 62a_100000210326_100000766143 [1,0,0,0,0,0|1,0,2]=4 1872 B12R0.5 CCCCCSCCCCCCO 62a_100000766143_100000210326 [1,0,0,0,0,0|1,0,2]=4 1873 B12R0.5 CCCCNCCCCCCC#N 2230a_100000102301_100009813337 [1,0,0,0,0,0|2,0,1]=4 1874 B12R0.5 CCCCNCCCCCCC#N 7a_106832991798_100009813337 [1,0,0,0,0,0|2,0,1]=4 1875 B12R0.5 CCCCNCCCCCCCO 2230a_100000102301_100000760002 [1,0,0,0,0,0|1,0,2]=4 1876 B12R0.5 CCCCNCCCCCCCO 2230a_100011996573_100000210211 [1,0,0,0,0,0|1,0,2]=4 1877 B12R0.5 CCCCNCCCCCCCO 34a_100011996573_100000210210 [1,0,0,0,0,0|1,0,2]=4 1878 B12R0.5 CCCCNCCCCCCCO 7a_106832991798_100000760002 [1,0,0,0,0,0|1,0,2]=4 1879 B12R0.5 CCCCNCCCCCCOC 2230a_100000102301_100011998445 [1,0,0,0,0,0|3,0,0]=4 1880 B12R0.5 CCCCNCCCCCCOC 7a_106832991798_100011998445 [1,0,0,0,0,0|3,0,0]=4 1881 B12R0.5 CCCCNCCCCOCC=O 34a_200011216965_200009817547 [1,0,0,0,0,0|2,0,0]=3 1882 B12R0.5 CCCCOCCCCCCC#N 7a_100000210227_100009813337 [1,0,0,0,0,0|2,0,1]=4 1883 B12R0.5 CCCCOCCCCCCCBr 34a_100000760002_100000210210 [1,0,0,0,0,0|1,1,1]=4 1884 B12R0.5 CCCCOCCCCCCCBr 7a_100000760002_100000210211 [1,0,0,0,0,0|1,1,1]=4 1885 B12R0.5 CCCCOCCCCCCCN 34a_100011996573_100000210210 [1,0,0,0,0,0|2,0,1]=4 1886 B12R0.5 CCCCOCCCCCCCO 34a_100000210227_100000760002 [1,0,0,0,0,0|1,0,2]=4 1887 B12R0.5 CCCCOCCCCCCCO 7a_100000210227_100000760002 [1,0,0,0,0,0|1,0,2]=4 1888 B12R0.5 CCCCOCCCCCCOC 34a_100000210227_100011998445 [1,0,0,0,0,0|3,0,0]=4 1889 B12R0.5 CCCCOCCCCCCOC 34a_200012092642_100000210210 [1,0,0,0,0,0|3,0,0]=4 1890 B12R0.5 CCCCOCCCCCCOC 7a_100000210227_100011998445 [1,0,0,0,0,0|3,0,0]=4 1891 B12R0.5 CCCCOCCCCCCOC 7a_200012092642_100000210211 [1,0,0,0,0,0|3,0,0]=4 1892 B12R0.5 CCCCOCCCCOCC=O 34a_200000760531_200009817547 [1,0,0,0,0,0|2,0,0]=3 1893 B12R0.5 CCCCOCCCCOCC=O 7a_200000760531_200015260668 [1,0,0,0,0,0|2,0,0]=3 1894 B12R0.5 CCCCOCCOCCCC=O 7a_100000210238_200011292268 [1,0,0,0,0,0|2,0,0]=3 1895 B12R0.5 CCCCOCCOCCCCCl 34a_100000210776_100000743108 [1,0,0,0,0,0|2,0,1]=4 1896 B12R0.5 CCCCOCCOCCCCCl 7a_100000210776_100000743108 [1,0,0,0,0,0|2,0,1]=4 1897 B12R0.5 CCCCOCCSCCCC=O 62a_100000743108_200011292268 [1,0,0,0,0,0|2,0,0]=3 1898 B12R0.5 CCCCOCCSCCCC=O 62a_200011292268_100000743108 [1,0,0,0,0,0|2,0,0]=3 1899 B12R0.5 CCCCOCOCCCCCCl 34a_100000746330_100011995733 [1,0,0,0,0,0|2,0,1]=4 1900 B12R0.5 CCCCOCSCCCCC=O 62a_100000139335_100011995733 [1,0,0,0,0,0|2,0,0]=3 1901 B12R0.5 CCCCOCSCCCCC=O 62a_100011995733_100000139335 [1,0,0,0,0,0|2,0,0]=3 1902 B12R0.5 CCCCSCCCCCCC#N 62a_100000210211_100009813337 [1,0,0,0,0,0|2,0,1]=4 1903 B12R0.5 CCCCSCCCCCCC#N 62a_100009813337_100000210210 [1,0,0,0,0,0|2,0,1]=4 1904 B12R0.5 CCCCSCCCCCCCO 62a_100000210211_100000760002 [1,0,0,0,0,0|1,0,2]=4 1905 B12R0.5 CCCCSCCCCCCCO 62a_100000760002_100000210210 [1,0,0,0,0,0|1,0,2]=4 1906 B12R0.5 CCCCSCCCCCCOC 62a_100000210211_100011998445 [1,0,0,0,0,0|3,0,0]=4 1907 B12R0.5 CCCCSCCCCCCOC 62a_100011998445_100000210210 [1,0,0,0,0,0|3,0,0]=4 1908 B12R0.5 CCCCSCCNCCCC=O 2230a_100025743550_200011292268 [1,0,0,0,0,0|2,0,0]=3 1909 B12R0.5 CCCCSCCOCCCC=O 7a_200000230436_200011292268 [1,0,0,0,0,0|2,0,0]=3 1910 B12R0.5 CCCNCCCCCCCCO 2230a_102515433106_100000210303 [1,0,0,0,0,0|1,0,2]=4 1911 B12R0.5 CCCNCCCCCCCCO 34a_102515433106_100000210303 [1,0,0,0,0,0|1,0,2]=4 1912 B12R0.5 CCCOCCCCCCCCBr 34a_100009813846_100000210303 [1,0,0,0,0,0|1,1,1]=4 1913 B12R0.5 CCCOCCCCCCCCBr 7a_100009813846_100000210303 [1,0,0,0,0,0|1,1,1]=4 1914 B12R0.5 CCCOCCCCCCCCCl 34a_100000033203_100000210303 [1,0,0,0,0,0|1,0,1]=3 1915 B12R0.5 CCCOCCCCCCCCCl 7a_100000033203_100000210303 [1,0,0,0,0,0|1,0,1]=3 1916 B12R0.5 CCCOCCCCCCCCN 34a_102515433106_100000210303 [1,0,0,0,0,0|2,0,1]=4 1917 B12R0.5 CCCOCCCCCCCCO 34a_100000210258_100000033203 [1,0,0,0,0,0|1,0,2]=4 1918 B12R0.5 CCCOCCCNCCCC=O 2230a_100011217757_200011292268 [1,0,0,0,0,0|2,0,0]=3 1919 B12R0.5 CCCOCCNCCCCC=O 2230a_100161115042_100000139335 [1,0,0,0,0,0|2,0,0]=3 1920 B12R0.5 CCCOCCOCCCCC=O 7a_100000752267_100000139335 [1,0,0,0,0,0|2,0,0]=3 1921 B12R0.5 CCCOCCOCCCCCCl 34a_100000746330_100011215938 [1,0,0,0,0,0|2,0,1]=4 1922 B12R0.5 CCCOCCOCCCCCCl 7a_100000746330_100011215938 [1,0,0,0,0,0|2,0,1]=4 1923 B12R0.5 CCCOCCOCCNCC=O 2230a_200011904461_200015260668 [1,0,0,0,0,0|3,0,0]=4 1924 B12R0.5 CCCOCCOCCNCC=O 34a_200011904461_200009817547 [1,0,0,0,0,0|3,0,0]=4 1925 B12R0.5 CCCOCCSCCCCC=O 62a_100000139335_100011215938 [1,0,0,0,0,0|2,0,0]=3 1926 B12R0.5 CCCOCCSCCCCC=O 62a_100011215938_100000139335 [1,0,0,0,0,0|2,0,0]=3 1927 B12R0.5 CCCSCCCCCCCCO 62a_100000033203_100000210303 [1,0,0,0,0,0|1,0,2]=4 1928 B12R0.5 CCCSCCCCCCCCO 62a_100000210303_100000033203 [1,0,0,0,0,0|1,0,2]=4 1929 B12R0.5 CCCSCCNCCCCC=O 2230a_100020603323_100000139335 [1,0,0,0,0,0|2,0,0]=3 1930 B12R0.5 CCCSCCOCCCCC=O 7a_200000230433_100000139335 [1,0,0,0,0,0|2,0,0]=3 1931 B12R0.5 CCNCCCCCCCCCO 2230a_100000078944_100000210202 [1,0,0,0,0,0|1,0,2]=4 1932 B12R0.5 CCNCCCCCCCCCO 2230a_100015525214_100009813782 [1,0,0,0,0,0|1,0,2]=4 1933 B12R0.5 CCNCCCCCCCCCO 34a_100000078944_100000210202 [1,0,0,0,0,0|1,0,2]=4 1934 B12R0.5 CCOCCCCCCCCCBr 34a_100009813782_100000210202 [1,0,0,0,0,0|1,1,1]=4 1935 B12R0.5 CCOCCCCCCCCCBr 7a_100009813782_100000210202 [1,0,0,0,0,0|1,1,1]=4 1936 B12R0.5 CCOCCCCCCCCCCl 34a_100009868337_100000210202 [1,0,0,0,0,0|1,0,1]=3 1937 B12R0.5 CCOCCCCCCCCCCl 7a_100009868337_100000210202 [1,0,0,0,0,0|1,0,1]=3 1938 B12R0.5 CCOCCCCCCCCCN 34a_100000078944_100000210202 [1,0,0,0,0,0|2,0,1]=4 1939 B12R0.5 CCOCCCCCCCCCO 34a_100121572206_100009813782 [1,0,0,0,0,0|1,0,2]=4 1940 B12R0.5 CCOCCCNCCCCC=O 2230a_100000210961_100000139335 [1,0,0,0,0,0|2,0,0]=3 1941 B12R0.5 CCOCCCOCCCCC=O 7a_100000757476_100000139335 [1,0,0,0,0,0|2,0,0]=3 1942 B12R0.5 CCOCCCOCCCCCCl 34a_100000746330_100012232248 [1,0,0,0,0,0|2,0,1]=4 1943 B12R0.5 CCOCCCOCCCCCCl 7a_100000746330_100012232248 [1,0,0,0,0,0|2,0,1]=4 1944 B12R0.5 CCOCCCSCCCCC=O 62a_100000139335_100012232248 [1,0,0,0,0,0|2,0,0]=3 1945 B12R0.5 CCOCCCSCCCCC=O 62a_100012232248_100000139335 [1,0,0,0,0,0|2,0,0]=3 1946 B12R0.5 CCOCCNCCCCCC=O 2230a_102516460346_100000139337 [1,0,0,0,0,0|2,0,0]=3 1947 B12R0.5 CCOCCOCCCCCC=O 7a_100000210136_100000139337 [1,0,0,0,0,0|2,0,0]=3 1948 B12R0.5 CCOCCOCCCCCCCl 34a_100000766143_100000210147 [1,0,0,0,0,0|2,0,1]=4 1949 B12R0.5 CCOCCOCCCCCCCl 7a_100000766143_100011215890 [1,0,0,0,0,0|2,0,1]=4 1950 B12R0.5 CCOCCSCCCCCC=O 62a_100000139337_100011215890 [1,0,0,0,0,0|2,0,0]=3 1951 B12R0.5 CCOCCSCCCCCC=O 62a_100000210147_100000139337 [1,0,0,0,0,0|2,0,0]=3 1952 B12R0.5 CCSCCCCCCCCCO 62a_100000210202_100009813782 [1,0,0,0,0,0|1,0,2]=4 1953 B12R0.5 CCSCCCCCCCCCO 62a_100009813782_100000210202 [1,0,0,0,0,0|1,0,2]=4 1954 B12R0.5 CCSCCCOCCCCC=O 7a_100011216438_100000139335 [1,0,0,0,0,0|2,0,0]=3 1955 B12R0.5 CCSCCNCCCCCC=O 2230a_100000106463_100000139337 [1,0,0,0,0,0|2,0,0]=3 1956 B12R0.5 CCSCCOCCCCCC=O 7a_100000212035_100000139337 [1,0,0,0,0,0|2,0,0]=3 1957 B12R0.5 CCSCCOCCCCCCCl 34a_100000766143_100000757381 [1,0,0,0,0,0|2,0,1]=4 1958 B12R0.5 CCSCCOCCCCCCCl 7a_100000766143_100000757381 [1,0,0,0,0,0|2,0,1]=4 1959 B12R0.5 CCSCCSCCCCCC=O 62a_100000139337_100000757381 [1,0,0,0,0,0|2,0,0]=3 1960 B12R0.5 CCSCCSCCCCCC=O 62a_100000757381_100000139337 [1,0,0,0,0,0|2,0,0]=3 1961 B12R0.5 CNCCCCCCCCCCO 2230a_100000066964_200000210301 [1,0,0,0,0,0|1,0,2]=4 1962 B12R0.5 CNCCCCCCCCCCO 2230a_106832991635_100009813290 [1,0,0,0,0,0|1,0,2]=4 1963 B12R0.5 CNCCCCCCCCCCO 34a_100000066964_200000210301 [1,0,0,0,0,0|1,0,2]=4 1964 B12R0.5 CNCCCCCCCCCCO 34a_100102657272_100009813290 [1,0,0,0,0,0|1,0,2]=4 1965 B12R0.5 CNCCCCCCCCCCO 7a_106832991635_100009813290 [1,0,0,0,0,0|1,0,2]=4 1966 B12R0.5 COCCCCCCCCCCBr 34a_100009813290_200000210301 [1,0,0,0,0,0|1,1,1]=4 1967 B12R0.5 COCCCCCCCCCCBr 7a_100009813290_200000210301 [1,0,0,0,0,0|1,1,1]=4 1968 B12R0.5 COCCCCCCCCCCCl 34a_200000033068_200000210301 [1,0,0,0,0,0|1,0,1]=3 1969 B12R0.5 COCCCCCCCCCCCl 7a_200000033068_200000210301 [1,0,0,0,0,0|1,0,1]=3 1970 B12R0.5 COCCCCCCCCCCN 34a_100000066964_200000210301 [1,0,0,0,0,0|2,0,1]=4 1971 B12R0.5 COCCCCCCCCCCO 34a_100138415774_100009813290 [1,0,0,0,0,0|1,0,2]=4 1972 B12R0.5 COCCCCCCOCCCCl 34a_100000230001_100011998445 [1,0,0,0,0,0|2,0,1]=4 1973 B12R0.5 COCCCCCNCCCC=O 2230a_100000747528_200011292268 [1,0,0,0,0,0|2,0,0]=3 1974 B12R0.5 COCCCCOCCCCCCl 34a_100000746330_100000755781 [1,0,0,0,0,0|2,0,1]=4 1975 B12R0.5 COCCCCOCCCCCCl 7a_100000746330_100000730899 [1,0,0,0,0,0|2,0,1]=4 1976 B12R0.5 COCCCCSCCCCC=O 62a_100000139335_100000730899 [1,0,0,0,0,0|2,0,0]=3 1977 B12R0.5 COCCCCSCCCCC=O 62a_100000730899_100000139335 [1,0,0,0,0,0|2,0,0]=3 1978 B12R0.5 COCCCOCCCCCCCl 34a_100000766143_100000740836 [1,0,0,0,0,0|2,0,1]=4 1979 B12R0.5 COCCCOCCCCCCCl 7a_100000766143_100000740836 [1,0,0,0,0,0|2,0,1]=4 1980 B12R0.5 COCCCOCCCOCC=O 34a_200011215475_200009817547 [1,0,0,0,0,0|3,0,0]=4 1981 B12R0.5 COCCCOCCCOCC=O 7a_200011215475_200015260668 [1,0,0,0,0,0|3,0,0]=4 1982 B12R0.5 COCCCSCCCCCC=O 62a_100000139337_100000709357 [1,0,0,0,0,0|2,0,0]=3 1983 B12R0.5 COCCCSCCCCCC=O 62a_100000709357_100000139337 [1,0,0,0,0,0|2,0,0]=3 1984 B12R0.5 COCCOCCNCCCC=O 2230a_100000745349_200011292268 [1,0,0,0,0,0|3,0,0]=4 1985 B12R0.5 COCCOCCOCCCC=O 7a_100011215163_200011292268 [1,0,0,0,0,0|3,0,0]=4 1986 B12R0.5 COCCOCCSCCCC=O 62a_100000695917_200011292268 [1,0,0,0,0,0|3,0,0]=4 1987 B12R0.5 COCCOCCSCCCC=O 62a_200011292268_100000695917 [1,0,0,0,0,0|3,0,0]=4 1988 B12R0.5 COCCOCSCCCCC=O 62a_100000139335_100000231047 [1,0,0,0,0,0|3,0,0]=4 1989 B12R0.5 COCCOCSCCCCC=O 62a_100000231047_100000139335 [1,0,0,0,0,0|3,0,0]=4 1990 B12R0.5 CSCCCCCCCCCCO 62a_100009813290_200000210301 [1,0,0,0,0,0|1,0,2]=4 1991 B12R0.5 CSCCCCCCCCCCO 62a_200000210301_200000033068 [1,0,0,0,0,0|1,0,2]=4 1992 B12R0.5 CSCCCCOCCCCC=O 7a_100011217163_100000139335 [1,0,0,0,0,0|2,0,0]=3 1993 B12R0.5 CSCCCNCCCCCC=O 2230a_100000749238_100000139337 [1,0,0,0,0,0|2,0,0]=3 1994 B12R0.5 CSCCCOCCCCCC=O 7a_100000690336_100000139337 [1,0,0,0,0,0|2,0,0]=3 1995 B12R0.5 CSCOCCCCCCCCCl 34a_100000033203_100011218213 [1,0,0,0,0,0|2,0,1]=4 1996 B12R0.5 FCCCCCCOCCCCCl 34a_100000210776_100015922095 [1,0,0,0,0,0|2,0,1]=4 1997 B12R0.5 FCCCCCCOCCCCCl 7a_100000210776_100015922095 [1,0,0,0,0,0|2,0,1]=4 1998 B12R0.5 FCCCCCOCCCCCCl 34a_100000746330_100000729378 [1,0,0,0,0,0|2,0,1]=4 1999 B12R0.5 FCCCCCOCCCCCCl 7a_100000746330_100000729378 [1,0,0,0,0,0|2,0,1]=4 2000 B12R0.5 FCCCCOCCCCCCCl 34a_100000766143_100000729493 [1,0,0,0,0,0|2,0,1]=4 2001 B12R0.5 FCCCCOCCCCCCCl 7a_100000766143_100000729493 [1,0,0,0,0,0|2,0,1]=4 2002 B12R0.5 FCCOCCCCCCCCCl 34a_100000033203_100011217306 [1,0,0,0,0,0|2,0,1]=4 2003 B12R0.5 FCCOCCCCCCCCCl 7a_100000033203_100011217306 [1,0,0,0,0,0|2,0,1]=4 2004 B12R0.5 FCOCCCCCCCCCCl 34a_100009868337_100015361967 [1,0,0,0,0,0|2,0,1]=4 2005 B12R0.5 FCOCCCCCCCCCCl 7a_100009868337_100015361967 [1,0,0,0,0,0|2,0,1]=4 2006 B12R0.5 N#CCCCCCSCCCC=O 62a_100009813376_200011292268 [1,0,0,0,0,0|2,0,1]=4 2007 B12R0.5 N#CCCCCCSCCCC=O 62a_200011292268_100009813376 [1,0,0,0,0,0|2,0,1]=4 2008 B12R0.5 N#CCCCCSCCCCC=O 62a_100000139335_100000211819 [1,0,0,0,0,0|2,0,1]=4 2009 B12R0.5 N#CCCCCSCCCCC=O 62a_100011219923_100000139335 [1,0,0,0,0,0|2,0,1]=4 2010 B12R0.5 N#CCCCSCCCCCC=O 62a_100000139337_100000687738 [1,0,0,0,0,0|2,0,1]=4 2011 B12R0.5 N#CCCCSCCCCCC=O 62a_100000687738_100000139337 [1,0,0,0,0,0|2,0,1]=4 2012 B12R0.5 NCCCCCCCCOCC=O 34a_102515433106_200009817547 [1,0,0,0,0,0|2,0,0]=3 2013 B12R0.5 NCCNCCCCCOCC=O 34a_103619048469_200009817547 [1,0,0,0,0,0|3,0,0]=4 2014 B12R0.5 O=CCCCCCNCCCCO 2230a_100000750430_100000139337 [1,0,0,0,0,0|2,0,0]=3 2015 B12R0.5 O=CCCCCCOCCCCCl 7a_100000210776_100000139337 [1,0,0,0,0,0|2,0,0]=3 2016 B12R0.5 O=CCCCCCOCCCCF 7a_100011995726_100000139337 [1,0,0,0,0,0|2,0,0]=3 2017 B12R0.5 O=CCCCCCSCCCC=O 62a_100000139337_200011292268 [1,0,0,0,0,0|2,0,1]=4 2018 B12R0.5 O=CCCCCCSCCCC=O 62a_200011292268_100000139337 [1,0,0,0,0,0|2,0,1]=4 2019 B12R0.5 O=CCCCCCSCCCCF 62a_100000139337_100000729493 [1,0,0,0,0,0|2,0,0]=3 2020 B12R0.5 O=CCCCCCSCCCCF 62a_100000729493_100000139337 [1,0,0,0,0,0|2,0,0]=3 2021 B12R0.5 O=CCCCCCSCCCCO 62a_100000139337_100000210776 [1,0,0,0,0,0|2,0,0]=3 2022 B12R0.5 O=CCCCCCSCCCCO 62a_100000210776_100000139337 [1,0,0,0,0,0|2,0,0]=3 2023 B12R0.5 O=CCCCCNCCCCCO 2230a_100000762737_100000139335 [1,0,0,0,0,0|2,0,0]=3 2024 B12R0.5 O=CCCCCNCCOCCO 2230a_100000211614_100000139335 [1,0,0,0,0,0|3,0,0]=4 2025 B12R0.5 O=CCCCCNCCSCCO 2230a_100011219999_100000139335 [1,0,0,0,0,0|3,0,0]=4 2026 B12R0.5 O=CCCCCOCCCCCBr 7a_100000746331_100000139335 [1,0,0,0,0,0|2,0,0]=3 2027 B12R0.5 O=CCCCCOCCCCCCl 7a_100000746330_100000139335 [1,0,0,0,0,0|2,0,0]=3 2028 B12R0.5 O=CCCCCOCCCCCI 7a_200012148887_100000139335 [1,0,0,0,0,0|2,0,0]=3 2029 B12R0.5 O=CCCCCOCCOCCBr 7a_100000692535_100000139335 [1,0,0,0,0,0|3,0,0]=4 2030 B12R0.5 O=CCCCCOCCOCCCl 7a_100011215305_100000139335 [1,0,0,0,0,0|3,0,0]=4 2031 B12R0.5 O=CCCCCOCCOCCF 7a_200015357709_100000139335 [1,0,0,0,0,0|3,0,0]=4 2032 B12R0.5 O=CCCCCOCCOCCI 7a_100012149058_100000139335 [1,0,0,0,0,0|3,0,0]=4 2033 B12R0.5 O=CCCCCSCCCCC=O 62a_100000139335_100000139335 [1,0,0,0,0,0|2,0,1]=4 2034 B12R0.5 O=CCCCCSCCCCCF 62a_100000139335_100000729378 [1,0,0,0,0,0|2,0,0]=3 2035 B12R0.5 O=CCCCCSCCCCCF 62a_100000729378_100000139335 [1,0,0,0,0,0|2,0,0]=3 2036 B12R0.5 O=CCCCCSCCCCCO 62a_100000139335_100000746330 [1,0,0,0,0,0|2,0,0]=3 2037 B12R0.5 O=CCCCCSCCCCCO 62a_100000746330_100000139335 [1,0,0,0,0,0|2,0,0]=3 2038 B12R0.5 O=CCCCCSCCOCCO 62a_100000139335_100011215305 [1,0,0,0,0,0|3,0,0]=4 2039 B12R0.5 O=CCCCCSCCOCCO 62a_100011215305_100000139335 [1,0,0,0,0,0|3,0,0]=4 2040 B12R0.5 O=CCCCNCCCCCCO 2230a_100000686447_200011292268 [1,0,0,0,0,0|2,0,0]=3 2041 B12R0.5 O=CCCCOCCCCCCBr 7a_100011215345_200011292268 [1,0,0,0,0,0|2,0,0]=3 2042 B12R0.5 O=CCCCOCCCCCCCl 7a_100000766143_200011292268 [1,0,0,0,0,0|2,0,0]=3 2043 B12R0.5 O=CCCCOCCCCCCF 7a_100000732779_200011292268 [1,0,0,0,0,0|2,0,0]=3 2044 B12R0.5 O=CCCCSCCCCCCF 62a_100015922095_200011292268 [1,0,0,0,0,0|2,0,0]=3 2045 B12R0.5 O=CCCCSCCCCCCF 62a_200011292268_100015922095 [1,0,0,0,0,0|2,0,0]=3 2046 B12R0.5 O=CCCCSCCCCCCO 62a_100000766143_200011292268 [1,0,0,0,0,0|2,0,0]=3 2047 B12R0.5 O=CCCCSCCCCCCO 62a_200011292268_100000766143 [1,0,0,0,0,0|2,0,0]=3 2048 B12R0.5 O=CCNCCCCCCCCO 2230a_102515433106_200015260668 [1,0,0,0,0,0|2,0,0]=3 2049 B12R0.5 O=CCNCCCCCCCCO 34a_102515433106_200009817547 [1,0,0,0,0,0|2,0,0]=3 2050 B12R0.5 O=CCOCCCCCCCCBr 34a_100009813846_200009817547 [1,0,0,0,0,0|2,0,0]=3 2051 B12R0.5 O=CCOCCCCCCCCBr 7a_100009813846_200015260668 [1,0,0,0,0,0|2,0,0]=3 2052 B12R0.5 O=CCOCCCCCCCCCl 34a_100000033203_200009817547 [1,0,0,0,0,0|2,0,0]=3 2053 B12R0.5 O=CCOCCCCCCCCCl 7a_100000033203_200015260668 [1,0,0,0,0,0|2,0,0]=3 2054 B12R0.5 O=CCSCCCCCCCCO 62a_100000033203_200015260668 [1,0,0,0,0,0|2,0,0]=3 2055 B12R0.5 O=CCSCCCCCCCCO 62a_200015260668_100000033203 [1,0,0,0,0,0|2,0,0]=3 2056 B12R0.5 OCCCCCCCOCCCCl 34a_100000230001_100000760002 [1,0,0,0,0,0|2,0,1]=4 2057 B12R0.5 OCCCCCCOCCCCCl 34a_100000210776_100000766143 [1,0,0,0,0,0|2,0,1]=4 2058 B12R0.5 OCCCCCCOCCCCCl 7a_100000210776_100000766143 [1,0,0,0,0,0|2,0,1]=4 2059 B12R0.5 OCCCCCOCCCCCCl 34a_100000746330_100000746330 [1,0,0,0,0,0|2,0,1]=4 2060 B12R0.5 OCCCCCOCCCCCCl 7a_100000746330_100000746330 [1,0,0,0,0,0|2,0,1]=4 2061 B12R0.5 OCCCCOCCCCCCCl 34a_100000766143_100011216708 [1,0,0,0,0,0|2,0,1]=4 2062 B12R0.5 OCCCCOCCCCCCCl 7a_100000766143_100000210776 [1,0,0,0,0,0|2,0,1]=4 2063 B12R0.5 OCCOCCCCCCCCCl 34a_100000033203_100000211926 [1,0,0,0,0,0|2,0,1]=4 2064 B12R0.5 OCCOCCCCCCCCCl 7a_100000033203_100000211926 [1,0,0,0,0,0|2,0,1]=4 2065 B12R0.5 [13CH3]NCCCCCCCCCCO 2230a_100000066964_200025704644 [1,0,0,0,0,0|1,0,2]=4 2066 B12R0.5 [13CH3]NCCCCCCCCCCO 34a_100000066964_200025704644 [1,0,0,0,0,0|1,0,2]=4 2067 B12R0.5 [13CH3]OCCCCCCCCCCBr 34a_100009813290_200025704644 [1,0,0,0,0,0|1,1,1]=4 2068 B12R0.5 [13CH3]OCCCCCCCCCCBr 7a_100009813290_200025704644 [1,0,0,0,0,0|1,1,1]=4 2069 B12R0.5 [13CH3]OCCCCCCCCCCCl 34a_200000033068_200025704644 [1,0,0,0,0,0|1,0,1]=3 2070 B12R0.5 [13CH3]OCCCCCCCCCCCl 7a_200000033068_200025704644 [1,0,0,0,0,0|1,0,1]=3 2071 B12R0.5 [13CH3]OCCCCCCCCCCN 34a_100000066964_200025704644 [1,0,0,0,0,0|2,0,1]=4 2072 B12R0.5 [13CH3]SCCCCCCCCCCO 62a_100009813290_200025704644 [1,0,0,0,0,0|1,0,2]=4 2073 B12R0.5 [13CH3]SCCCCCCCCCCO 62a_200025704644_200000033068 [1,0,0,0,0,0|1,0,2]=4 2074 B12R0.234 C#CCCCCCCCCC(=O)C 1458a_100000029693_200000210301 [1,0,0,0,0,0|1,0,2]=4 2075 B12R0.234 C#CCCCCCCCCC(=O)[13CH3] 1458a_100000029693_200025704644 [1,0,0,0,0,0|1,0,2]=4 2076 B12R0.234 C=C(Br)CCOCCCCCCC 34a_100009813270_100000210614 [1,0,0,0,0,0|2,1,0]=4 2077 B12R0.234 C=C(C)CCNCCCCCCC 2230a_100000229938_100000730704 [1,0,0,0,0,0|3,0,0]=4 2078 B12R0.234 C=C(C)CCOCCCCCCC 34a_100000210272_100000730704 [1,0,0,0,0,0|3,0,0]=4 2079 B12R0.234 C=C(C)CCOCCCCCCC 34a_100000764851_100000210614 [1,0,0,0,0,0|3,0,0]=4 2080 B12R0.234 C=C(C)CCOCCCCCCC 7a_100000210272_100000730704 [1,0,0,0,0,0|3,0,0]=4 2081 B12R0.234 C=C(C)CCSCCCCCCC 62a_100000210614_100000730704 [1,0,0,0,0,0|3,0,0]=4 2082 B12R0.234 C=C(C)CCSCCCCCCC 62a_100000730704_100000210316 [1,0,0,0,0,0|3,0,0]=4 2083 B12R0.234 C=C(C)CNCCCCCCCC 2230a_100000229939_100000748629 [1,0,0,0,0,0|3,0,0]=4 2084 B12R0.234 C=C(C)CNCCCCCCCC 34a_100000229939_100000748629 [1,0,0,0,0,0|3,0,0]=4 2085 B12R0.234 C=C(C)COCCCCCCCC 34a_100000210232_100000748629 [1,0,0,0,0,0|3,0,0]=4 2086 B12R0.234 C=C(C)COCCCCCCCC 34a_100000210245_100000210759 [1,0,0,0,0,0|3,0,0]=4 2087 B12R0.234 C=C(C)COCCCCCCCC 7a_100000210232_100000748629 [1,0,0,0,0,0|3,0,0]=4 2088 B12R0.234 C=C(C)CSCCCCCCCC 62a_100000210759_100000211660 [1,0,0,0,0,0|3,0,0]=4 2089 B12R0.234 C=C(C)CSCCCCCCCC 62a_100000748629_100000210317 [1,0,0,0,0,0|3,0,0]=4 2090 B12R0.234 C=C(F)CNCCCCCCCC 2230a_100000229939_100009893438 [1,0,0,0,0,0|2,1,0]=4 2091 B12R0.234 C=C(F)CNCCCCCCCC 34a_100000229939_100009893438 [1,0,0,0,0,0|2,1,0]=4 2092 B12R0.234 C=C(F)COCCCCCCCC 34a_100000210232_100009893438 [1,0,0,0,0,0|2,1,0]=4 2093 B12R0.234 C=C(F)COCCCCCCCC 34a_200010262243_100000210759 [1,0,0,0,0,0|2,1,0]=4 2094 B12R0.234 C=C(F)COCCCCCCCC 7a_100000210232_100000042424 [1,0,0,0,0,0|2,1,0]=4 2095 B12R0.234 C=C(F)CSCCCCCCCC 62a_100000042424_100000210317 [1,0,0,0,0,0|2,1,0]=4 2096 B12R0.234 C=C(F)CSCCCCCCCC 62a_100000210759_100000042424 [1,0,0,0,0,0|2,1,0]=4 2097 B12R0.234 C=CCCCCCCCCC(=O)C 1458a_100000070787_100011933949 [1,0,0,0,0,0|1,0,2]=4 2098 B12R0.234 C=CCCCCCCCCC(=O)C 1458a_100000211349_200000210301 [1,0,0,0,0,0|1,0,2]=4 2099 B12R0.234 C=CCCCCCCCCC(=O)[13CH3] 1458a_100000211349_200025704644 [1,0,0,0,0,0|1,0,2]=4 2100 B12R0.234 CC#CCCCCCCCC(=O)C 1458a_100000066323_200000210301 [1,0,0,0,0,0|1,0,2]=4 2101 B12R0.234 CC#CCCCCCCCC(=O)[13CH3] 1458a_100000066323_200025704644 [1,0,0,0,0,0|1,0,2]=4 2102 B12R0.234 CC(=O)CCCCCCCCCF 1458a_200009909015_200000210301 [1,0,0,0,0,0|2,0,0]=3 2103 B12R0.234 CC(=O)CCCCCCCCCO 1458a_100000070787_100009813782 [1,0,0,0,0,0|2,0,0]=3 2104 B12R0.234 CC(=O)CCCCNCCCCO 34a_100000750430_100009817362 [1,0,0,0,0,0|3,0,0]=4 2105 B12R0.234 CC(=O)CCCCOCCCCBr 34a_100011216708_100009817362 [1,0,0,0,0,0|3,0,0]=4 2106 B12R0.234 CC(=O)CCCCOCCCCCl 34a_100000210776_100009817362 [1,0,0,0,0,0|3,0,0]=4 2107 B12R0.234 CC(=O)CCCCOCCCCCl 7a_100000210776_100000735457 [1,0,0,0,0,0|3,0,0]=4 2108 B12R0.234 CC(=O)CCCCOCCCCF 34a_100011995726_100009817362 [1,0,0,0,0,0|3,0,0]=4 2109 B12R0.234 CC(=O)CCCCOCCCCF 7a_100011995726_100000735457 [1,0,0,0,0,0|3,0,0]=4 2110 B12R0.234 CC(=O)CCCCOCCCCI 34a_200012148704_100009817362 [1,0,0,0,0,0|3,0,0]=4 2111 B12R0.234 CC(=O)CCCCOCCCCN 34a_100000750430_100009817362 [1,0,0,0,0,0|3,0,0]=4 2112 B12R0.234 CC(=O)CCCCSCCCCF 62a_100000729493_100000735457 [1,0,0,0,0,0|3,0,0]=4 2113 B12R0.234 CC(=O)CCCCSCCCCF 62a_100000735457_100000729493 [1,0,0,0,0,0|3,0,0]=4 2114 B12R0.234 CC(=O)CCCCSCCCCO 62a_100000210776_100000735457 [1,0,0,0,0,0|3,0,0]=4 2115 B12R0.234 CC(=O)CCCCSCCCCO 62a_100000735457_100000210776 [1,0,0,0,0,0|3,0,0]=4 2116 B12R0.234 CC(=O)CCCNCCCCCO 34a_100000762737_100000685027 [1,0,0,0,0,0|3,0,0]=4 2117 B12R0.234 CC(=O)CCCOCCCCCBr 34a_100000746331_100000685027 [1,0,0,0,0,0|3,0,0]=4 2118 B12R0.234 CC(=O)CCCOCCCCCBr 7a_100000746331_100011215641 [1,0,0,0,0,0|3,0,0]=4 2119 B12R0.234 CC(=O)CCCOCCCCCCl 34a_100000746330_100000685027 [1,0,0,0,0,0|3,0,0]=4 2120 B12R0.234 CC(=O)CCCOCCCCCCl 7a_100000746330_100011215641 [1,0,0,0,0,0|3,0,0]=4 2121 B12R0.234 CC(=O)CCCOCCCCCF 34a_100000759063_100000729378 [1,0,0,0,0,0|3,0,0]=4 2122 B12R0.234 CC(=O)CCCOCCCCCF 7a_100000759063_100000729378 [1,0,0,0,0,0|3,0,0]=4 2123 B12R0.234 CC(=O)CCCOCCCCCI 34a_200012148887_100000685027 [1,0,0,0,0,0|3,0,0]=4 2124 B12R0.234 CC(=O)CCCOCCCCCI 7a_200012148887_100011215641 [1,0,0,0,0,0|3,0,0]=4 2125 B12R0.234 CC(=O)CCCOCCCCCN 34a_100000762737_100000685027 [1,0,0,0,0,0|3,0,0]=4 2126 B12R0.234 CC(=O)CCCOCCCCCO 34a_100000759063_100000746330 [1,0,0,0,0,0|3,0,0]=4 2127 B12R0.234 CC(=O)CCCOCCCCCO 7a_100000759063_100000746330 [1,0,0,0,0,0|3,0,0]=4 2128 B12R0.234 CC(=O)CCCSCCCCCF 62a_100000729378_100011215641 [1,0,0,0,0,0|3,0,0]=4 2129 B12R0.234 CC(=O)CCCSCCCCCF 62a_100011215641_100000729378 [1,0,0,0,0,0|3,0,0]=4 2130 B12R0.234 CC(=O)CCCSCCCCCO 62a_100000746330_100011215641 [1,0,0,0,0,0|3,0,0]=4 2131 B12R0.234 CC(=O)CCCSCCCCCO 62a_100011215641_100000746330 [1,0,0,0,0,0|3,0,0]=4 2132 B12R0.234 CC(=O)CCOCCCCCCBr 7a_100011215345_100000053229 [1,0,0,0,0,0|3,0,0]=4 2133 B12R0.234 CC(=O)CCOCCCCCCCl 7a_100000766143_100000053229 [1,0,0,0,0,0|3,0,0]=4 2134 B12R0.234 CC(=O)CCOCCCCCCF 34a_100000759926_100015922095 [1,0,0,0,0,0|3,0,0]=4 2135 B12R0.234 CC(=O)CCOCCCCCCF 7a_100000732779_100000053229 [1,0,0,0,0,0|3,0,0]=4 2136 B12R0.234 CC(=O)CCOCCCCCCF 7a_100000759926_100015922095 [1,0,0,0,0,0|3,0,0]=4 2137 B12R0.234 CC(=O)CCOCCCCCCO 34a_100000759926_100000766143 [1,0,0,0,0,0|3,0,0]=4 2138 B12R0.234 CC(=O)CCOCCCCCCO 7a_100000759926_100000766143 [1,0,0,0,0,0|3,0,0]=4 2139 B12R0.234 CC(=O)CCSCCCCCCF 62a_100000053229_100015922095 [1,0,0,0,0,0|3,0,0]=4 2140 B12R0.234 CC(=O)CCSCCCCCCF 62a_100015922095_100000053229 [1,0,0,0,0,0|3,0,0]=4 2141 B12R0.234 CC(=O)CCSCCCCCCO 62a_100000053229_100000766143 [1,0,0,0,0,0|3,0,0]=4 2142 B12R0.234 CC(=O)CCSCCCCCCO 62a_100000766143_100000053229 [1,0,0,0,0,0|3,0,0]=4 2143 B12R0.234 CC(=O)COCCCCCCCO 34a_100000211253_100000760002 [1,0,0,0,0,0|3,0,0]=4 2144 B12R0.234 CC(=O)NCCCCCCCCO 240690a_102515433106_100015343762 [1,0,0,0,0,0|3,0,0]=4 2145 B12R0.234 CCC#CCCCCCCC(=O)C 1458a_100000070787_200000036426 [1,0,0,0,0,0|1,0,2]=4 2146 B12R0.234 CCCCCCCCC=CC(=O)C 1458a_100015345288_200000210301 [1,0,0,0,0,0|1,0,2]=4 2147 B12R0.234 CCCCCCCCC=CC(=O)[13CH3] 1458a_100015345288_200025704644 [1,0,0,0,0,0|1,0,2]=4 2148 B12R0.234 CCCCCCCCCCC(=O)C 1458a_100000070787_100000210319 [1,0,0,0,0,0|1,0,0]=2 2149 B12R0.234 CCCCCCCCCCC(=O)C 1458a_100000210375_200000210301 [1,0,0,0,0,0|1,0,0]=2 2150 B12R0.234 CCCCCCCCCCC(=O)[13CH3] 1458a_100000210375_200025704644 [1,0,0,0,0,0|1,0,0]=2 2151 B12R0.234 CCCCCCCCCCN(C)C 2230a_100000207566_200000210301 [1,0,0,0,0,0|3,0,0]=4 2152 B12R0.234 CCCCCCCCCCN(C)C 2230a_100102631434_100000210320 [1,0,0,0,0,0|3,0,0]=4 2153 B12R0.234 CCCCCCCCCCN(C)C 269982a_100000207566_200000210301 [1,0,0,0,0,0|3,0,0]=4 2154 B12R0.234 CCCCCCCCCCN(C)C 269982a_100102631434_100000210320 [1,0,0,0,0,0|3,0,0]=4 2155 B12R0.234 CCCCCCCCCCN(C)[13CH3] 2230a_100000207566_200025704644 [1,0,0,0,0,0|3,0,0]=4 2156 B12R0.234 CCCCCCCCCCN(C)[13CH3] 269982a_100000207566_200025704644 [1,0,0,0,0,0|3,0,0]=4 2157 B12R0.234 CCCCCCCCCNC(=O)C 11a_100000212291_100015343762 [1,0,0,0,0,0|2,0,0]=3 2158 B12R0.234 CCCCCCCCCNC(=O)C 1626a_100000212291_100015343762 [1,0,0,0,0,0|2,0,0]=3 2159 B12R0.234 CCCCCCCCCNC(=O)C 240690a_100000212291_100015343762 [1,0,0,0,0,0|2,0,0]=3 2160 B12R0.234 CCCCCCCCCNC(=O)C 527a_100000212291_100103153847 [1,0,0,0,0,0|2,0,0]=3 2161 B12R0.234 CCCCCCCCNCC(=O)N 2230a_100000229939_100000747473 [1,0,0,0,0,0|2,0,0]=3 2162 B12R0.234 CCCCCCCCNCC(=O)N 2230a_100000711301_100000210759 [1,0,0,0,0,0|2,0,0]=3 2163 B12R0.234 CCCCCCCCNCC(=O)N 34a_100000229939_100000187820 [1,0,0,0,0,0|2,0,0]=3 2164 B12R0.234 CCCCCCCCNCC(=O)O 269956a_100016091260_100000210759 [1,0,0,0,0,0|2,0,0]=3 2165 B12R0.234 CCCCCCCCNCC(=O)[O-] 34a_100000229939_100020667443 [1,0,0,0,0,0|2,0,0]=3 2166 B12R0.234 CCCCCCCCNC[N+](=O)[O-] 34a_100000229939_100000761209 [1,0,0,0,0,0|3,0,0]=4 2167 B12R0.234 CCCCCCCCOCC(=O)C 1458a_100000759886_200000210301 [1,0,0,0,0,0|2,0,0]=3 2168 B12R0.234 CCCCCCCCOCC(=O)C 34a_100000211253_100000210759 [1,0,0,0,0,0|2,0,0]=3 2169 B12R0.234 CCCCCCCCOCC(=O)N 34a_100000210232_100000187820 [1,0,0,0,0,0|2,0,0]=3 2170 B12R0.234 CCCCCCCCOCC(=O)N 7a_100000210232_100000187820 [1,0,0,0,0,0|2,0,0]=3 2171 B12R0.234 CCCCCCCCOCC(=O)[13CH3] 1458a_100000759886_200025704644 [1,0,0,0,0,0|2,0,0]=3 2172 B12R0.234 CCCCCCCCOCC(=O)[O-] 34a_100000210232_100020667443 [1,0,0,0,0,0|2,0,0]=3 2173 B12R0.234 CCCCCCCCOC[C@@H](C)Cl 34a_100016084084_100000210759 [1,0,0,0,0,0|2,0,1]=4 2174 B12R0.234 CCCCCCCCOC[N+](=O)[O-] 34a_100000210232_100000761209 [1,0,0,0,0,0|3,0,0]=4 2175 B12R0.234 CCCCCCCCSCC(=O)N 62a_100000210759_100000747473 [1,0,0,0,0,0|2,0,0]=3 2176 B12R0.234 CCCCCCCCSCC(=O)N 62a_100000747473_100000210317 [1,0,0,0,0,0|2,0,0]=3 2177 B12R0.234 CCCCCCCCSCC(=O)[O-] 62a_100000210759_100020667443 [1,0,0,0,0,0|2,0,0]=3 2178 B12R0.234 CCCCCCCCSCC(=O)[O-] 62a_100020667443_100000210317 [1,0,0,0,0,0|2,0,0]=3 2179 B12R0.234 CCCCCCCCSC[N+](=O)[O-] 62a_100000210759_100000761209 [1,0,0,0,0,0|3,0,0]=4 2180 B12R0.234 CCCCCCCNCCC(=O)N 2230a_100000229938_100000744528 [1,0,0,0,0,0|2,0,0]=3 2181 B12R0.234 CCCCCCCNOCC(=O)O 269956a_100000106656_100000210614 [1,0,0,0,0,0|3,0,0]=4 2182 B12R0.234 CCCCCCCOCCC(=O)C 34a_100000759926_100000210614 [1,0,0,0,0,0|2,0,0]=3 2183 B12R0.234 CCCCCCCOCCC(=O)C 7a_100000210272_100000053229 [1,0,0,0,0,0|2,0,0]=3 2184 B12R0.234 CCCCCCCOCCC(=O)C 7a_100000759926_100000210614 [1,0,0,0,0,0|2,0,0]=3 2185 B12R0.234 CCCCCCCOCCC(=O)N 34a_100000210272_100000731001 [1,0,0,0,0,0|2,0,0]=3 2186 B12R0.234 CCCCCCCOCCC(=O)N 34a_100000757172_100000210614 [1,0,0,0,0,0|2,0,0]=3 2187 B12R0.234 CCCCCCCOCCC(=O)N 7a_100000210272_100000744528 [1,0,0,0,0,0|2,0,0]=3 2188 B12R0.234 CCCCCCCOCCC(=O)N 7a_100000757172_100000210614 [1,0,0,0,0,0|2,0,0]=3 2189 B12R0.234 CCCCCCCOCOC(=O)C 34a_100000210272_100009813279 [1,0,0,0,0,0|3,0,0]=4 2190 B12R0.234 CCCCCCCSCCC(=O)C 62a_100000053229_100000210316 [1,0,0,0,0,0|2,0,0]=3 2191 B12R0.234 CCCCCCCSCCC(=O)C 62a_100000210614_100000053229 [1,0,0,0,0,0|2,0,0]=3 2192 B12R0.234 CCCCCCCSCCC(=O)N 62a_100000210614_100000744528 [1,0,0,0,0,0|2,0,0]=3 2193 B12R0.234 CCCCCCCSCCC(=O)N 62a_100000744528_100000210316 [1,0,0,0,0,0|2,0,0]=3 2194 B12R0.234 CCCCCCCSCOC(=O)C 62a_100000076356_100000210316 [1,0,0,0,0,0|3,0,0]=4 2195 B12R0.234 CCCCCCCSCOC(=O)C 62a_100000210614_100000076356 [1,0,0,0,0,0|3,0,0]=4 2196 B12R0.234 CCCCCCNCCCC(=O)N 34a_100000739312_100000210314 [1,0,0,0,0,0|2,0,0]=3 2197 B12R0.234 CCCCCCNCCCS(=O)C 2230a_200000753449_100000210314 [1,0,0,0,0,0|3,0,0]=4 2198 B12R0.234 CCCCCCNCCNC(=O)C 2230a_100000209853_100000210314 [1,0,0,0,0,0|3,0,0]=4 2199 B12R0.234 CCCCCCNCCNC(=O)C 2230a_100000210581_100000189650 [1,0,0,0,0,0|3,0,0]=4 2200 B12R0.234 CCCCCCNCCNC(=O)N 2230a_100000210581_200000034859 [1,0,0,0,0,0|3,0,0]=4 2201 B12R0.234 CCCCCCNCCNC(=O)N 34a_100020590234_100000210314 [1,0,0,0,0,0|3,0,0]=4 2202 B12R0.234 CCCCCCOCCCC(=O)C 34a_100000210259_100000685027 [1,0,0,0,0,0|2,0,0]=3 2203 B12R0.234 CCCCCCOCCCC(=O)C 34a_100000759063_100000210314 [1,0,0,0,0,0|2,0,0]=3 2204 B12R0.234 CCCCCCOCCCC(=O)C 7a_100000210259_100011215641 [1,0,0,0,0,0|2,0,0]=3 2205 B12R0.234 CCCCCCOCCCC(=O)C 7a_100000759063_100000210314 [1,0,0,0,0,0|2,0,0]=3 2206 B12R0.234 CCCCCCOCCCC(=O)N 34a_100000210259_100102525003 [1,0,0,0,0,0|2,0,0]=3 2207 B12R0.234 CCCCCCOCCCC(=O)N 7a_100000210259_100102525003 [1,0,0,0,0,0|2,0,0]=3 2208 B12R0.234 CCCCCCOCCC[N+](=O)[O-] 34a_200000037920_100000210314 [1,0,0,0,0,0|3,0,0]=4 2209 B12R0.234 CCCCCCOCCNC(=O)C 34a_100000158858_100000210314 [1,0,0,0,0,0|3,0,0]=4 2210 B12R0.234 CCCCCCOCCNC(=O)C 7a_100000210259_100000189650 [1,0,0,0,0,0|3,0,0]=4 2211 B12R0.234 CCCCCCOCCNC(=O)N 34a_100000181757_100000210314 [1,0,0,0,0,0|3,0,0]=4 2212 B12R0.234 CCCCCCOCCNC(=O)N 7a_100000210259_200000034859 [1,0,0,0,0,0|3,0,0]=4 2213 B12R0.234 CCCCCCOCCOC(=O)C 34a_100000210259_100009814007 [1,0,0,0,0,0|3,0,0]=4 2214 B12R0.234 CCCCCCOCCOC(=O)C 7a_100000210259_100009814007 [1,0,0,0,0,0|3,0,0]=4 2215 B12R0.234 CCCCCCOCCOC(=O)N 34a_100000210259_200011214921 [1,0,0,0,0,0|3,0,0]=4 2216 B12R0.234 CCCCCCOCCOC(=O)N 7a_100000210259_200011214921 [1,0,0,0,0,0|3,0,0]=4 2217 B12R0.234 CCCCCCOCCOC(=O)N 7a_100000766696_100000210314 [1,0,0,0,0,0|3,0,0]=4 2218 B12R0.234 CCCCCCSCCCC(=O)C 62a_100000210314_100011215641 [1,0,0,0,0,0|2,0,0]=3 2219 B12R0.234 CCCCCCSCCCC(=O)C 62a_100011215641_100000210757 [1,0,0,0,0,0|2,0,0]=3 2220 B12R0.234 CCCCCCSCCCC(=O)N 62a_100000210314_100102525003 [1,0,0,0,0,0|2,0,0]=3 2221 B12R0.234 CCCCCCSCCCC(=O)N 62a_100102525003_100000210757 [1,0,0,0,0,0|2,0,0]=3 2222 B12R0.234 CCCCCCSCCNC(=O)C 62a_100000189650_100000210757 [1,0,0,0,0,0|3,0,0]=4 2223 B12R0.234 CCCCCCSCCNC(=O)C 62a_100000210314_100000189650 [1,0,0,0,0,0|3,0,0]=4 2224 B12R0.234 CCCCCCSCCNC(=O)N 62a_100000210314_200000034859 [1,0,0,0,0,0|3,0,0]=4 2225 B12R0.234 CCCCCCSCCNC(=O)N 62a_200000034859_100000210757 [1,0,0,0,0,0|3,0,0]=4 2226 B12R0.234 CCCCCCSCCOC(=O)C 62a_100000210314_100009814007 [1,0,0,0,0,0|3,0,0]=4 2227 B12R0.234 CCCCCCSCCOC(=O)C 62a_100009814007_100000210757 [1,0,0,0,0,0|3,0,0]=4 2228 B12R0.234 CCCCCCSCCOC(=O)N 62a_100000210314_200011214921 [1,0,0,0,0,0|3,0,0]=4 2229 B12R0.234 CCCCCCSCCOC(=O)N 62a_200011214921_100000210757 [1,0,0,0,0,0|3,0,0]=4 2230 B12R0.234 CCCCCNCCCCC(=O)N 34a_100000696515_100000718602 [1,0,0,0,0,0|2,0,0]=3 2231 B12R0.234 CCCCCNCCCNC(=O)C 34a_100000736810_100000718602 [1,0,0,0,0,0|3,0,0]=4 2232 B12R0.234 CCCCCNCCCSC(=O)C 2230a_100000209983_100000038929 [1,0,0,0,0,0|3,0,0]=4 2233 B12R0.234 CCCCCNCCOCC(=O)N 2230a_100000209983_100000076697 [1,0,0,0,0,0|3,0,0]=4 2234 B12R0.234 CCCCCNCCOCC(=O)N 34a_100000224656_100000187820 [1,0,0,0,0,0|3,0,0]=4 2235 B12R0.234 CCCCCNCCOCC(=O)O 269956a_100000700818_100000210326 [1,0,0,0,0,0|3,0,0]=4 2236 B12R0.234 CCCCCNCCOCC(=O)[O-] 34a_100000224656_100020667443 [1,0,0,0,0,0|3,0,0]=4 2237 B12R0.234 CCCCCOCCCCC(=O)C 34a_100000210253_100009817362 [1,0,0,0,0,0|2,0,0]=3 2238 B12R0.234 CCCCCOCCCCC(=O)C 7a_100000210253_100000735457 [1,0,0,0,0,0|2,0,0]=3 2239 B12R0.234 CCCCCOCCCCC(=O)N 34a_100012022536_100000718602 [1,0,0,0,0,0|2,0,0]=3 2240 B12R0.234 CCCCCOCCCCC(=O)N 7a_100012022536_100000210326 [1,0,0,0,0,0|2,0,0]=3 2241 B12R0.234 CCCCCOCCCC[N+](=O)[O-] 34a_200015379883_100000718602 [1,0,0,0,0,0|3,0,0]=4 2242 B12R0.234 CCCCCOCCCC[N+](=O)[O-] 7a_200015379883_100000210326 [1,0,0,0,0,0|3,0,0]=4 2243 B12R0.234 CCCCCOCCCNC(=O)C 34a_100000752032_100000718602 [1,0,0,0,0,0|3,0,0]=4 2244 B12R0.234 CCCCCOCCCOC(=O)C 34a_100000210253_100000042594 [1,0,0,0,0,0|3,0,0]=4 2245 B12R0.234 CCCCCOCCCOC(=O)C 7a_100000210253_100000042594 [1,0,0,0,0,0|3,0,0]=4 2246 B12R0.234 CCCCCOCCCSC(=O)C 34a_100000210253_100000038929 [1,0,0,0,0,0|3,0,0]=4 2247 B12R0.234 CCCCCOCCCSC(=O)C 7a_100000210253_100000038929 [1,0,0,0,0,0|3,0,0]=4 2248 B12R0.234 CCCCCOCCOCC(=O)N 34a_100000210253_100000076697 [1,0,0,0,0,0|3,0,0]=4 2249 B12R0.234 CCCCCOCCOCC(=O)N 34a_100011215259_100000187820 [1,0,0,0,0,0|3,0,0]=4 2250 B12R0.234 CCCCCOCCOCC(=O)N 7a_100000210253_100000076697 [1,0,0,0,0,0|3,0,0]=4 2251 B12R0.234 CCCCCOCCOCC(=O)N 7a_100011215259_100000187820 [1,0,0,0,0,0|3,0,0]=4 2252 B12R0.234 CCCCCOCCOCC(=O)[O-] 34a_100011215259_100020667443 [1,0,0,0,0,0|3,0,0]=4 2253 B12R0.234 CCCCCSCCCCC(=O)C 62a_100000210326_100000735457 [1,0,0,0,0,0|2,0,0]=3 2254 B12R0.234 CCCCCSCCCCC(=O)C 62a_100000735457_100000210326 [1,0,0,0,0,0|2,0,0]=3 2255 B12R0.234 CCCCCSCCCOC(=O)C 62a_100000042594_100000210326 [1,0,0,0,0,0|3,0,0]=4 2256 B12R0.234 CCCCCSCCCOC(=O)C 62a_100000210326_100000042594 [1,0,0,0,0,0|3,0,0]=4 2257 B12R0.234 CCCCCSCCCSC(=O)C 62a_100000038929_100000210326 [1,0,0,0,0,0|3,0,0]=4 2258 B12R0.234 CCCCCSCCCSC(=O)C 62a_100000210326_100000038929 [1,0,0,0,0,0|3,0,0]=4 2259 B12R0.234 CCCCCSCCOCC(=O)N 62a_100000076697_100000210326 [1,0,0,0,0,0|3,0,0]=4 2260 B12R0.234 CCCCCSCCOCC(=O)N 62a_100000210326_100000076697 [1,0,0,0,0,0|3,0,0]=4 2261 B12R0.234 CCCCNCCCCCC(=O)N 2230a_100000102301_100009817443 [1,0,0,0,0,0|2,0,0]=3 2262 B12R0.234 CCCCNCCCCCC(=O)N 7a_106832991798_100009817443 [1,0,0,0,0,0|2,0,0]=3 2263 B12R0.234 CCCCNCCCCNC(=O)C 2230a_200011368371_100000210211 [1,0,0,0,0,0|3,0,0]=4 2264 B12R0.234 CCCCNCCCCNC(=O)C 34a_200011368371_100000210210 [1,0,0,0,0,0|3,0,0]=4 2265 B12R0.234 CCCCNCCCCOC(=O)C 7a_106832991798_100000033659 [1,0,0,0,0,0|3,0,0]=4 2266 B12R0.234 CCCCNCCCCSC(=O)C 2230a_100000102301_200010402107 [1,0,0,0,0,0|3,0,0]=4 2267 B12R0.234 CCCCNCCCCSC(=O)C 7a_106832991798_200010402107 [1,0,0,0,0,0|3,0,0]=4 2268 B12R0.234 CCCCOCCCCCC(=O)N 34a_100000123541_100000210210 [1,0,0,0,0,0|2,0,0]=3 2269 B12R0.234 CCCCOCCCCCC(=O)N 34a_100000210227_100009817443 [1,0,0,0,0,0|2,0,0]=3 2270 B12R0.234 CCCCOCCCCCC(=O)N 7a_100000123541_100000210211 [1,0,0,0,0,0|2,0,0]=3 2271 B12R0.234 CCCCOCCCCCC(=O)N 7a_100000210227_100009817443 [1,0,0,0,0,0|2,0,0]=3 2272 B12R0.234 CCCCOCCCCCC(=O)[O-] 7a_100102619762_100000210211 [1,0,0,0,0,0|2,0,0]=3 2273 B12R0.234 CCCCOCCCCOC(=O)C 34a_100000073216_100000210210 [1,0,0,0,0,0|3,0,0]=4 2274 B12R0.234 CCCCOCCCCOC(=O)C 34a_100000210227_100000033659 [1,0,0,0,0,0|3,0,0]=4 2275 B12R0.234 CCCCOCCCCOC(=O)C 7a_100000073216_100000210211 [1,0,0,0,0,0|3,0,0]=4 2276 B12R0.234 CCCCOCCCCOC(=O)C 7a_100000210227_100000033659 [1,0,0,0,0,0|3,0,0]=4 2277 B12R0.234 CCCCOCCCCSC(=O)C 34a_100000210227_200010402107 [1,0,0,0,0,0|3,0,0]=4 2278 B12R0.234 CCCCOCCCCSC(=O)C 7a_100000210227_200010402107 [1,0,0,0,0,0|3,0,0]=4 2279 B12R0.234 CCCCOCCCNCC(=O)N 2230a_200000211371_100000747473 [1,0,0,0,0,0|3,0,0]=4 2280 B12R0.234 CCCCOCCCNCC(=O)N 34a_200000211371_100000187820 [1,0,0,0,0,0|3,0,0]=4 2281 B12R0.234 CCCCOCCCNCC(=O)[O-] 34a_200000211371_100020667443 [1,0,0,0,0,0|3,0,0]=4 2282 B12R0.234 CCCCOCCCOCC(=O)N 34a_200011215613_100000187820 [1,0,0,0,0,0|3,0,0]=4 2283 B12R0.234 CCCCOCCCOCC(=O)N 7a_200011215613_100000187820 [1,0,0,0,0,0|3,0,0]=4 2284 B12R0.234 CCCCOCCCOCC(=O)[O-] 34a_200011215613_100020667443 [1,0,0,0,0,0|3,0,0]=4 2285 B12R0.234 CCCCOCCOCCC(=O)C 34a_100000759926_100000743108 [1,0,0,0,0,0|3,0,0]=4 2286 B12R0.234 CCCCOCCOCCC(=O)C 7a_100000210238_100000053229 [1,0,0,0,0,0|3,0,0]=4 2287 B12R0.234 CCCCOCCOCCC(=O)C 7a_100000759926_100000743108 [1,0,0,0,0,0|3,0,0]=4 2288 B12R0.234 CCCCOCCOCCC(=O)N 34a_100000210238_100000731001 [1,0,0,0,0,0|3,0,0]=4 2289 B12R0.234 CCCCOCCOCCC(=O)N 34a_100000757172_100000743108 [1,0,0,0,0,0|3,0,0]=4 2290 B12R0.234 CCCCOCCOCCC(=O)N 7a_100000210238_100000744528 [1,0,0,0,0,0|3,0,0]=4 2291 B12R0.234 CCCCOCCOCCC(=O)N 7a_100000757172_100000743108 [1,0,0,0,0,0|3,0,0]=4 2292 B12R0.234 CCCCOCCSCCC(=O)C 62a_100000053229_100000743108 [1,0,0,0,0,0|3,0,0]=4 2293 B12R0.234 CCCCOCCSCCC(=O)C 62a_100000743108_100000053229 [1,0,0,0,0,0|3,0,0]=4 2294 B12R0.234 CCCCOCCSCCC(=O)N 62a_100000743108_100000744528 [1,0,0,0,0,0|3,0,0]=4 2295 B12R0.234 CCCCOCCSCCC(=O)N 62a_100000744528_100000743108 [1,0,0,0,0,0|3,0,0]=4 2296 B12R0.234 CCCCOCNCCCC(=O)N 34a_100000739312_100011995733 [1,0,0,0,0,0|3,0,0]=4 2297 B12R0.234 CCCCOCOCCCC(=O)C 34a_100000759063_100011995733 [1,0,0,0,0,0|3,0,0]=4 2298 B12R0.234 CCCCOCSCCCC(=O)C 62a_100011215641_100011995733 [1,0,0,0,0,0|3,0,0]=4 2299 B12R0.234 CCCCOCSCCCC(=O)C 62a_100011995733_100011215641 [1,0,0,0,0,0|3,0,0]=4 2300 B12R0.234 CCCCOCSCCCC(=O)N 62a_100011995733_100102525003 [1,0,0,0,0,0|3,0,0]=4 2301 B12R0.234 CCCCOCSCCCC(=O)N 62a_100102525003_100011995733 [1,0,0,0,0,0|3,0,0]=4 2302 B12R0.234 CCCCSCCCCCC(=O)N 62a_100000210211_100009817443 [1,0,0,0,0,0|2,0,0]=3 2303 B12R0.234 CCCCSCCCCCC(=O)N 62a_100009817443_100000210210 [1,0,0,0,0,0|2,0,0]=3 2304 B12R0.234 CCCCSCCCCOC(=O)C 62a_100000033659_100000210210 [1,0,0,0,0,0|3,0,0]=4 2305 B12R0.234 CCCCSCCCCOC(=O)C 62a_100000210211_100000033659 [1,0,0,0,0,0|3,0,0]=4 2306 B12R0.234 CCCCSCCCCSC(=O)C 62a_100000210211_200010402107 [1,0,0,0,0,0|3,0,0]=4 2307 B12R0.234 CCCCSCCCCSC(=O)C 62a_200010402107_100000210210 [1,0,0,0,0,0|3,0,0]=4 2308 B12R0.234 CCCCSCCNCCC(=O)N 2230a_100025743550_100000744528 [1,0,0,0,0,0|3,0,0]=4 2309 B12R0.234 CCCCSCCOCCC(=O)C 7a_200000230436_100000053229 [1,0,0,0,0,0|3,0,0]=4 2310 B12R0.234 CCCCSCCOCCC(=O)N 34a_200000230436_100000731001 [1,0,0,0,0,0|3,0,0]=4 2311 B12R0.234 CCCCSCCOCCC(=O)N 7a_200000230436_100000744528 [1,0,0,0,0,0|3,0,0]=4 2312 B12R0.234 CCCNCCCCCNC(=O)C 2230a_200012022750_100000210303 [1,0,0,0,0,0|3,0,0]=4 2313 B12R0.234 CCCNCCCCCNC(=O)C 34a_200012022750_100000210303 [1,0,0,0,0,0|3,0,0]=4 2314 B12R0.234 CCCOCCCCCOC(=O)C 34a_100000210258_100000033007 [1,0,0,0,0,0|3,0,0]=4 2315 B12R0.234 CCCOCCCNCCC(=O)N 2230a_100011217757_100000744528 [1,0,0,0,0,0|3,0,0]=4 2316 B12R0.234 CCCOCCCNCCC(=O)N 34a_100011217757_100000731001 [1,0,0,0,0,0|3,0,0]=4 2317 B12R0.234 CCCOCCNCCCC(=O)C 34a_100161115042_100000685027 [1,0,0,0,0,0|3,0,0]=4 2318 B12R0.234 CCCOCCNCCCC(=O)N 34a_100000739312_100011215938 [1,0,0,0,0,0|3,0,0]=4 2319 B12R0.234 CCCOCCNCCCC(=O)N 34a_100161115042_100102525003 [1,0,0,0,0,0|3,0,0]=4 2320 B12R0.234 CCCOCCOCCCC(=O)C 34a_100000752267_100000685027 [1,0,0,0,0,0|3,0,0]=4 2321 B12R0.234 CCCOCCOCCCC(=O)C 34a_100000759063_100011215938 [1,0,0,0,0,0|3,0,0]=4 2322 B12R0.234 CCCOCCOCCCC(=O)C 7a_100000752267_100011215641 [1,0,0,0,0,0|3,0,0]=4 2323 B12R0.234 CCCOCCOCCCC(=O)C 7a_100000759063_100011215938 [1,0,0,0,0,0|3,0,0]=4 2324 B12R0.234 CCCOCCOCCCC(=O)N 34a_100000752267_100102525003 [1,0,0,0,0,0|3,0,0]=4 2325 B12R0.234 CCCOCCOCCCC(=O)N 7a_100000752267_100102525003 [1,0,0,0,0,0|3,0,0]=4 2326 B12R0.234 CCCOCCSCCCC(=O)C 62a_100011215641_100011215938 [1,0,0,0,0,0|3,0,0]=4 2327 B12R0.234 CCCOCCSCCCC(=O)C 62a_100011215938_100011215641 [1,0,0,0,0,0|3,0,0]=4 2328 B12R0.234 CCCOCCSCCCC(=O)N 62a_100011215938_100102525003 [1,0,0,0,0,0|3,0,0]=4 2329 B12R0.234 CCCOCCSCCCC(=O)N 62a_100102525003_100011215938 [1,0,0,0,0,0|3,0,0]=4 2330 B12R0.234 CCCSCCCCCOC(=O)C 62a_100000033007_100000210303 [1,0,0,0,0,0|3,0,0]=4 2331 B12R0.234 CCCSCCCCCOC(=O)C 62a_100000210303_100000033007 [1,0,0,0,0,0|3,0,0]=4 2332 B12R0.234 CCCSCCOCCCC(=O)C 34a_200000230433_100000685027 [1,0,0,0,0,0|3,0,0]=4 2333 B12R0.234 CCCSCCOCCCC(=O)C 7a_200000230433_100011215641 [1,0,0,0,0,0|3,0,0]=4 2334 B12R0.234 CCCSCCOCCCC(=O)N 34a_200000230433_100102525003 [1,0,0,0,0,0|3,0,0]=4 2335 B12R0.234 CCCSCCOCCCC(=O)N 7a_200000230433_100102525003 [1,0,0,0,0,0|3,0,0]=4 2336 B12R0.234 CCNCCCCCCNC(=O)C 2230a_200011996284_100000210202 [1,0,0,0,0,0|3,0,0]=4 2337 B12R0.234 CCNCCCCCCNC(=O)C 34a_200011996284_100000210202 [1,0,0,0,0,0|3,0,0]=4 2338 B12R0.234 CCOCCCNCCCC(=O)C 34a_100000210961_100000685027 [1,0,0,0,0,0|3,0,0]=4 2339 B12R0.234 CCOCCCNCCCC(=O)N 34a_100000210961_100102525003 [1,0,0,0,0,0|3,0,0]=4 2340 B12R0.234 CCOCCCNCCCC(=O)N 34a_100000739312_100012232248 [1,0,0,0,0,0|3,0,0]=4 2341 B12R0.234 CCOCCCOCCCC(=O)C 34a_100000757476_100000685027 [1,0,0,0,0,0|3,0,0]=4 2342 B12R0.234 CCOCCCOCCCC(=O)C 34a_100000759063_100012232248 [1,0,0,0,0,0|3,0,0]=4 2343 B12R0.234 CCOCCCOCCCC(=O)C 7a_100000757476_100011215641 [1,0,0,0,0,0|3,0,0]=4 2344 B12R0.234 CCOCCCOCCCC(=O)C 7a_100000759063_100012232248 [1,0,0,0,0,0|3,0,0]=4 2345 B12R0.234 CCOCCCOCCCC(=O)N 34a_100000757476_100102525003 [1,0,0,0,0,0|3,0,0]=4 2346 B12R0.234 CCOCCCOCCCC(=O)N 7a_100000757476_100102525003 [1,0,0,0,0,0|3,0,0]=4 2347 B12R0.234 CCOCCCSCCCC(=O)C 62a_100011215641_100012232248 [1,0,0,0,0,0|3,0,0]=4 2348 B12R0.234 CCOCCCSCCCC(=O)C 62a_100012232248_100011215641 [1,0,0,0,0,0|3,0,0]=4 2349 B12R0.234 CCOCCCSCCCC(=O)N 62a_100012232248_100102525003 [1,0,0,0,0,0|3,0,0]=4 2350 B12R0.234 CCOCCCSCCCC(=O)N 62a_100102525003_100012232248 [1,0,0,0,0,0|3,0,0]=4 2351 B12R0.234 CCOCCNCCCCC(=O)C 34a_102516460346_100009817362 [1,0,0,0,0,0|3,0,0]=4 2352 B12R0.234 CCOCCNCCCCC(=O)N 34a_100000696515_100000210147 [1,0,0,0,0,0|3,0,0]=4 2353 B12R0.234 CCOCCOCCCCC(=O)C 34a_100000210136_100009817362 [1,0,0,0,0,0|3,0,0]=4 2354 B12R0.234 CCOCCOCCCCC(=O)C 7a_100000210136_100000735457 [1,0,0,0,0,0|3,0,0]=4 2355 B12R0.234 CCOCCOCCCCC(=O)N 34a_100012022536_100000210147 [1,0,0,0,0,0|3,0,0]=4 2356 B12R0.234 CCOCCOCCCCC(=O)N 7a_100012022536_100011215890 [1,0,0,0,0,0|3,0,0]=4 2357 B12R0.234 CCOCCSCCCCC(=O)C 62a_100000210147_100000735457 [1,0,0,0,0,0|3,0,0]=4 2358 B12R0.234 CCOCCSCCCCC(=O)C 62a_100000735457_100011215890 [1,0,0,0,0,0|3,0,0]=4 2359 B12R0.234 CCOCSCCCCCC(=O)N 62a_100000739092_100009817443 [1,0,0,0,0,0|3,0,0]=4 2360 B12R0.234 CCOCSCCCCCC(=O)N 62a_100009817443_100000739092 [1,0,0,0,0,0|3,0,0]=4 2361 B12R0.234 CCSCCCOCCCC(=O)C 34a_100011216438_100000685027 [1,0,0,0,0,0|3,0,0]=4 2362 B12R0.234 CCSCCCOCCCC(=O)C 7a_100011216438_100011215641 [1,0,0,0,0,0|3,0,0]=4 2363 B12R0.234 CCSCCCOCCCC(=O)N 34a_100011216438_100102525003 [1,0,0,0,0,0|3,0,0]=4 2364 B12R0.234 CCSCCCOCCCC(=O)N 7a_100011216438_100102525003 [1,0,0,0,0,0|3,0,0]=4 2365 B12R0.234 CCSCCNCCCCC(=O)N 34a_100000696515_100000757381 [1,0,0,0,0,0|3,0,0]=4 2366 B12R0.234 CCSCCOCCCCC(=O)C 34a_100000212035_100009817362 [1,0,0,0,0,0|3,0,0]=4 2367 B12R0.234 CCSCCOCCCCC(=O)C 7a_100000212035_100000735457 [1,0,0,0,0,0|3,0,0]=4 2368 B12R0.234 CCSCCOCCCCC(=O)N 34a_100012022536_100000757381 [1,0,0,0,0,0|3,0,0]=4 2369 B12R0.234 CCSCCOCCCCC(=O)N 7a_100012022536_100000757381 [1,0,0,0,0,0|3,0,0]=4 2370 B12R0.234 CCSCCSCCCCC(=O)C 62a_100000735457_100000757381 [1,0,0,0,0,0|3,0,0]=4 2371 B12R0.234 CCSCCSCCCCC(=O)C 62a_100000757381_100000735457 [1,0,0,0,0,0|3,0,0]=4 2372 B12R0.234 CNCCCCCOCCC(=O)N 34a_100000722520_100000731001 [1,0,0,0,0,0|3,0,0]=4 2373 B12R0.234 CNCCCOCCCCC(=O)C 34a_100000213112_100009817362 [1,0,0,0,0,0|3,0,0]=4 2374 B12R0.234 COCCCCCCNCC(=O)N 2230a_100000711301_100011998445 [1,0,0,0,0,0|3,0,0]=4 2375 B12R0.234 COCCCCCCNCC(=O)O 269956a_100016091260_100011998445 [1,0,0,0,0,0|3,0,0]=4 2376 B12R0.234 COCCCCCCOCC(=O)C 34a_100000211253_100011998445 [1,0,0,0,0,0|3,0,0]=4 2377 B12R0.234 COCCCCCCOCC(=O)N 34a_200012092642_100000187820 [1,0,0,0,0,0|3,0,0]=4 2378 B12R0.234 COCCCCCCOCC(=O)N 7a_200012092642_100000187820 [1,0,0,0,0,0|3,0,0]=4 2379 B12R0.234 COCCCCCCOCC(=O)[O-] 34a_200012092642_100020667443 [1,0,0,0,0,0|3,0,0]=4 2380 B12R0.234 COCCCCCCSCC(=O)N 62a_100000747473_100011998445 [1,0,0,0,0,0|3,0,0]=4 2381 B12R0.234 COCCCCCCSCC(=O)N 62a_100011998445_100000747473 [1,0,0,0,0,0|3,0,0]=4 2382 B12R0.234 COCCCCCCSCC(=O)[O-] 62a_100011998445_100020667443 [1,0,0,0,0,0|3,0,0]=4 2383 B12R0.234 COCCCCCCSCC(=O)[O-] 62a_100020667443_100011998445 [1,0,0,0,0,0|3,0,0]=4 2384 B12R0.234 COCCCCCNCCC(=O)N 2230a_100000747528_100000744528 [1,0,0,0,0,0|3,0,0]=4 2385 B12R0.234 COCCCCCNCCC(=O)N 34a_100000747528_100000731001 [1,0,0,0,0,0|3,0,0]=4 2386 B12R0.234 COCCCCNCCCC(=O)N 34a_100000739312_100000755781 [1,0,0,0,0,0|3,0,0]=4 2387 B12R0.234 COCCCCOCCCC(=O)C 34a_100000740925_100000685027 [1,0,0,0,0,0|3,0,0]=4 2388 B12R0.234 COCCCCOCCCC(=O)C 34a_100000759063_100000755781 [1,0,0,0,0,0|3,0,0]=4 2389 B12R0.234 COCCCCOCCCC(=O)C 7a_100000759063_100000730899 [1,0,0,0,0,0|3,0,0]=4 2390 B12R0.234 COCCCCOCCCC(=O)N 34a_100000740925_100102525003 [1,0,0,0,0,0|3,0,0]=4 2391 B12R0.234 COCCCCSCCCC(=O)C 62a_100000730899_100011215641 [1,0,0,0,0,0|3,0,0]=4 2392 B12R0.234 COCCCCSCCCC(=O)C 62a_100011215641_100000730899 [1,0,0,0,0,0|3,0,0]=4 2393 B12R0.234 COCCCCSCCCC(=O)N 62a_100000730899_100102525003 [1,0,0,0,0,0|3,0,0]=4 2394 B12R0.234 COCCCCSCCCC(=O)N 62a_100102525003_100000730899 [1,0,0,0,0,0|3,0,0]=4 2395 B12R0.234 COCCCNCCCCC(=O)C 34a_100150723488_100009817362 [1,0,0,0,0,0|3,0,0]=4 2396 B12R0.234 COCCCNCCCCC(=O)N 34a_100000696515_100000740836 [1,0,0,0,0,0|3,0,0]=4 2397 B12R0.234 COCCCOCCCCC(=O)C 34a_100000740835_100009817362 [1,0,0,0,0,0|3,0,0]=4 2398 B12R0.234 COCCCOCCCCC(=O)N 34a_100012022536_100000740836 [1,0,0,0,0,0|3,0,0]=4 2399 B12R0.234 COCCCOCCCCC(=O)N 7a_100012022536_100000740836 [1,0,0,0,0,0|3,0,0]=4 2400 B12R0.234 COCCCSCCCCC(=O)C 62a_100000709357_100000735457 [1,0,0,0,0,0|3,0,0]=4 2401 B12R0.234 COCCCSCCCCC(=O)C 62a_100000735457_100000709357 [1,0,0,0,0,0|3,0,0]=4 2402 B12R0.234 COCCNCCCCCC(=O)N 2230a_100000209980_100009817443 [1,0,0,0,0,0|3,0,0]=4 2403 B12R0.234 COCCOCCCCCC(=O)N 34a_100000123541_100011201679 [1,0,0,0,0,0|3,0,0]=4 2404 B12R0.234 COCCOCCCCCC(=O)N 34a_100000210237_100009817443 [1,0,0,0,0,0|3,0,0]=4 2405 B12R0.234 COCCOCCCCCC(=O)N 7a_100000123541_100000233755 [1,0,0,0,0,0|3,0,0]=4 2406 B12R0.234 COCCOCCCCCC(=O)[O-] 7a_100102619762_100000233755 [1,0,0,0,0,0|3,0,0]=4 2407 B12R0.234 COCCSCCCCCC(=O)N 62a_100000233755_100009817443 [1,0,0,0,0,0|3,0,0]=4 2408 B12R0.234 COCCSCCCCCC(=O)N 62a_100009817443_100000233755 [1,0,0,0,0,0|3,0,0]=4 2409 B12R0.234 CSCCCCOCCCC(=O)C 34a_100011217163_100000685027 [1,0,0,0,0,0|3,0,0]=4 2410 B12R0.234 CSCCCCOCCCC(=O)C 7a_100011217163_100011215641 [1,0,0,0,0,0|3,0,0]=4 2411 B12R0.234 CSCCCCOCCCC(=O)N 34a_100011217163_100102525003 [1,0,0,0,0,0|3,0,0]=4 2412 B12R0.234 CSCCCCOCCCC(=O)N 7a_100011217163_100102525003 [1,0,0,0,0,0|3,0,0]=4 2413 B12R0.234 CSCCCOCCCCC(=O)C 34a_100000690336_100009817362 [1,0,0,0,0,0|3,0,0]=4 2414 B12R0.234 CSCCCOCCCCC(=O)C 7a_100000690336_100000735457 [1,0,0,0,0,0|3,0,0]=4 2415 B12R0.234 CSCCNCCCCCC(=O)N 2230a_100020590264_100009817443 [1,0,0,0,0,0|3,0,0]=4 2416 B12R0.234 CSCCOCCCCCC(=O)N 34a_100000123541_100000212216 [1,0,0,0,0,0|3,0,0]=4 2417 B12R0.234 CSCCOCCCCCC(=O)N 34a_100000230434_100009817443 [1,0,0,0,0,0|3,0,0]=4 2418 B12R0.234 CSCCOCCCCCC(=O)N 7a_100000123541_100000212216 [1,0,0,0,0,0|3,0,0]=4 2419 B12R0.234 CSCCOCCCCCC(=O)N 7a_100000230434_100009817443 [1,0,0,0,0,0|3,0,0]=4 2420 B12R0.234 CSCCOCCCCCC(=O)[O-] 7a_100102619762_100000212216 [1,0,0,0,0,0|3,0,0]=4 2421 B12R0.234 CSCCSCCCCCC(=O)N 62a_100000212216_100009817443 [1,0,0,0,0,0|3,0,0]=4 2422 B12R0.234 CSCCSCCCCCC(=O)N 62a_100009817443_100000751147 [1,0,0,0,0,0|3,0,0]=4 2423 B12R0.234 NC(=O)CCCCCNCCCF 2230a_100015189416_100009817443 [1,0,0,0,0,0|3,0,0]=4 2424 B12R0.234 NC(=O)CCCCCNCCCF 34a_100015189416_100009817443 [1,0,0,0,0,0|3,0,0]=4 2425 B12R0.234 NC(=O)CCCCCOCCCBr 34a_100011217188_100009817443 [1,0,0,0,0,0|3,0,0]=4 2426 B12R0.234 NC(=O)CCCCCOCCCCl 34a_100000230001_100009817443 [1,0,0,0,0,0|3,0,0]=4 2427 B12R0.234 NC(=O)CCCCCOCCCF 34a_100000123541_100011934791 [1,0,0,0,0,0|3,0,0]=4 2428 B12R0.234 NC(=O)CCCCCOCCCF 34a_100000759539_100009817443 [1,0,0,0,0,0|3,0,0]=4 2429 B12R0.234 NC(=O)CCCCCOCCCF 7a_100000123541_100011934791 [1,0,0,0,0,0|3,0,0]=4 2430 B12R0.234 NC(=O)CCCCCOCCCO 34a_100000123541_100000230001 [1,0,0,0,0,0|3,0,0]=4 2431 B12R0.234 NC(=O)CCCCCOCCCO 7a_100000123541_100011215043 [1,0,0,0,0,0|3,0,0]=4 2432 B12R0.234 NC(=O)CCCCCSCCCF 62a_100009817443_100011934791 [1,0,0,0,0,0|3,0,0]=4 2433 B12R0.234 NC(=O)CCCCCSCCCF 62a_100011934791_100009817443 [1,0,0,0,0,0|3,0,0]=4 2434 B12R0.234 NC(=O)CCCCCSCCCO 62a_100009817443_100011215043 [1,0,0,0,0,0|3,0,0]=4 2435 B12R0.234 NC(=O)CCCCCSCCCO 62a_100011215043_100009817443 [1,0,0,0,0,0|3,0,0]=4 2436 B12R0.234 NC(=O)CCCCNCCCCF 34a_100000696515_100000729493 [1,0,0,0,0,0|3,0,0]=4 2437 B12R0.234 NC(=O)CCCCNCCCCO 34a_100000696515_100011216708 [1,0,0,0,0,0|3,0,0]=4 2438 B12R0.234 NC(=O)CCCCOCCCCF 34a_100012022536_100000729493 [1,0,0,0,0,0|3,0,0]=4 2439 B12R0.234 NC(=O)CCCCOCCCCF 7a_100012022536_100000729493 [1,0,0,0,0,0|3,0,0]=4 2440 B12R0.234 NC(=O)CCCCOCCCCO 34a_100012022536_100011216708 [1,0,0,0,0,0|3,0,0]=4 2441 B12R0.234 NC(=O)CCCCOCCCCO 7a_100012022536_100000210776 [1,0,0,0,0,0|3,0,0]=4 2442 B12R0.234 NC(=O)CCCNCCCCCF 34a_100000739312_100000729378 [1,0,0,0,0,0|3,0,0]=4 2443 B12R0.234 NC(=O)CCCNCCCCCO 34a_100000739312_100000746330 [1,0,0,0,0,0|3,0,0]=4 2444 B12R0.234 NC(=O)CCCNCCCCCO 34a_100000762737_100102525003 [1,0,0,0,0,0|3,0,0]=4 2445 B12R0.234 NC(=O)CCCOCCCCCBr 34a_100000746331_100102525003 [1,0,0,0,0,0|3,0,0]=4 2446 B12R0.234 NC(=O)CCCOCCCCCBr 7a_100000746331_100102525003 [1,0,0,0,0,0|3,0,0]=4 2447 B12R0.234 NC(=O)CCCOCCCCCCl 34a_100000746330_100102525003 [1,0,0,0,0,0|3,0,0]=4 2448 B12R0.234 NC(=O)CCCOCCCCCCl 7a_100000746330_100102525003 [1,0,0,0,0,0|3,0,0]=4 2449 B12R0.234 NC(=O)CCCOCCCCCI 34a_200012148887_100102525003 [1,0,0,0,0,0|3,0,0]=4 2450 B12R0.234 NC(=O)CCCOCCCCCI 7a_200012148887_100102525003 [1,0,0,0,0,0|3,0,0]=4 2451 B12R0.234 NC(=O)CCCSCCCCCF 62a_100000729378_100102525003 [1,0,0,0,0,0|3,0,0]=4 2452 B12R0.234 NC(=O)CCCSCCCCCF 62a_100102525003_100000729378 [1,0,0,0,0,0|3,0,0]=4 2453 B12R0.234 NC(=O)CCCSCCCCCO 62a_100000746330_100102525003 [1,0,0,0,0,0|3,0,0]=4 2454 B12R0.234 NC(=O)CCCSCCCCCO 62a_100102525003_100000746330 [1,0,0,0,0,0|3,0,0]=4 2455 B12R0.234 NC(=O)CCNCCCCCCO 2230a_100000686447_100000744528 [1,0,0,0,0,0|3,0,0]=4 2456 B12R0.234 NC(=O)CCNCCCCCCO 34a_100000686447_100000731001 [1,0,0,0,0,0|3,0,0]=4 2457 B12R0.234 NC(=O)CCOCCCCCCBr 34a_100011215345_100000731001 [1,0,0,0,0,0|3,0,0]=4 2458 B12R0.234 NC(=O)CCOCCCCCCBr 7a_100011215345_100000744528 [1,0,0,0,0,0|3,0,0]=4 2459 B12R0.234 NC(=O)CCOCCCCCCCl 34a_100000766143_100000731001 [1,0,0,0,0,0|3,0,0]=4 2460 B12R0.234 NC(=O)CCOCCCCCCCl 7a_100000766143_100000744528 [1,0,0,0,0,0|3,0,0]=4 2461 B12R0.234 NC(=O)CCOCCCCCCF 34a_100000732779_100000731001 [1,0,0,0,0,0|3,0,0]=4 2462 B12R0.234 NC(=O)CCOCCCCCCF 34a_100000757172_100015922095 [1,0,0,0,0,0|3,0,0]=4 2463 B12R0.234 NC(=O)CCOCCCCCCF 7a_100000732779_100000744528 [1,0,0,0,0,0|3,0,0]=4 2464 B12R0.234 NC(=O)CCOCCCCCCF 7a_100000757172_100015922095 [1,0,0,0,0,0|3,0,0]=4 2465 B12R0.234 NC(=O)CCOCCCCCCO 34a_100000757172_100000766143 [1,0,0,0,0,0|3,0,0]=4 2466 B12R0.234 NC(=O)CCOCCCCCCO 7a_100000757172_100000766143 [1,0,0,0,0,0|3,0,0]=4 2467 B12R0.234 NC(=O)CCSCCCCCCF 62a_100000744528_100015922095 [1,0,0,0,0,0|3,0,0]=4 2468 B12R0.234 NC(=O)CCSCCCCCCF 62a_100015922095_100000744528 [1,0,0,0,0,0|3,0,0]=4 2469 B12R0.234 NC(=O)CCSCCCCCCO 62a_100000744528_100000766143 [1,0,0,0,0,0|3,0,0]=4 2470 B12R0.234 NC(=O)CCSCCCCCCO 62a_100000766143_100000744528 [1,0,0,0,0,0|3,0,0]=4 2471 B12R0.234 NC(=O)CNCCCCCCCO 2230a_100000711301_100000760002 [1,0,0,0,0,0|3,0,0]=4 2472 B12R0.234 NC(=O)CNCCCCCCCO 2230a_100011996573_100000747473 [1,0,0,0,0,0|3,0,0]=4 2473 B12R0.234 NC(=O)CNCCCCCCCO 34a_100011996573_100000187820 [1,0,0,0,0,0|3,0,0]=4 2474 B12R0.234 NC(=O)COCCCCCCCBr 34a_100000760002_100000187820 [1,0,0,0,0,0|3,0,0]=4 2475 B12R0.234 NC(=O)COCCCCCCCBr 7a_100000760002_100000187820 [1,0,0,0,0,0|3,0,0]=4 2476 B12R0.234 NC(=O)CSCCCCCCCO 62a_100000747473_100000760002 [1,0,0,0,0,0|3,0,0]=4 2477 B12R0.234 NC(=O)CSCCCCCCCO 62a_100000760002_100000747473 [1,0,0,0,0,0|3,0,0]=4 2478 B12R0.234 NCCCCCCCOCC(=O)N 34a_100011996573_100000187820 [1,0,0,0,0,0|3,0,0]=4 2479 B12R0.234 NCCCCCCCOCC(=O)[O-] 34a_100011996573_100020667443 [1,0,0,0,0,0|3,0,0]=4 2480 B12R0.234 NCCCCCCOCCC(=O)N 34a_100000686447_100000731001 [1,0,0,0,0,0|3,0,0]=4 2481 B12R0.234 NCCCCCOCCCC(=O)N 34a_100000762737_100102525003 [1,0,0,0,0,0|3,0,0]=4 2482 B12R0.234 NCCCOCCCCCC(=O)N 34a_100000182051_100009817443 [1,0,0,0,0,0|3,0,0]=4 2483 B12R0.234 O=C(O)CNCCCCCCCO 269956a_100016091260_100000760002 [1,0,0,0,0,0|3,0,0]=4 2484 B12R0.234 O=C([O-])CCCCCOCCCF 7a_100102619762_100011934791 [1,0,0,0,0,0|3,0,0]=4 2485 B12R0.234 O=C([O-])CCCCCOCCCO 7a_100102619762_100011215043 [1,0,0,0,0,0|3,0,0]=4 2486 B12R0.234 O=C([O-])CNCCCCCCCO 34a_100011996573_100020667443 [1,0,0,0,0,0|3,0,0]=4 2487 B12R0.234 O=C([O-])COCCCCCCCBr 34a_100000760002_100020667443 [1,0,0,0,0,0|3,0,0]=4 2488 B12R0.234 O=C([O-])CSCCCCCCCO 62a_100000760002_100020667443 [1,0,0,0,0,0|3,0,0]=4 2489 B12R0.234 O=C([O-])CSCCCCCCCO 62a_100020667443_100000760002 [1,0,0,0,0,0|3,0,0]=4 2490 B12R0.234 [13CH3]C(=O)CCCCCCCCCF 1458a_200009909015_200025704644 [1,0,0,0,0,0|2,0,0]=3 2491 B14R0.2 C=C(C)CCOC(C)CCCCCCC 34a_100000764851_200011218727 [0,1,0,0,0,0|3,0,0]=4 2492 B14R0.2 C=C(C)CCOC(C)CCCCCCC 34a_200011215852_100000730704 [0,1,0,0,0,0|3,0,0]=4 2493 B14R0.2 C=C(C)CCOC(C)CCCCCCC 7a_200011215852_100000730704 [0,1,0,0,0,0|3,0,0]=4 2494 B14R0.2 CC(=O)CCCC(=O)CCCCCCO 1458a_100011996774_100011215641 [0,1,0,0,0,0|2,0,1]=4 2495 B14R0.2 CC(CCCC(=O)[O-])OCCCCCF 7a_100000761597_100000729378 [0,1,0,0,0,0|3,0,0]=4 2496 B14R0.2 CC(CCCC(=O)[O-])OCCCCCO 7a_100000761597_100000746330 [0,1,0,0,0,0|3,0,0]=4 2497 B14R0.2 CCCCCCCC(=O)CCCC(=O)C 1458a_100000211969_100011215641 [0,1,0,0,0,0|1,0,1]=3 2498 B14R0.2 CCCCCCCC(=O)CCCC(=O)N 1458a_100000211969_100102525003 [0,1,0,0,0,0|1,0,1]=3 2499 B14R0.2 CCCCCCCC(=O)CCC[N+](=O)[O-] 1458a_100016109205_100000210614 [0,1,0,0,0,0|2,0,1]=4 2500 B14R0.2 CCCCCCCC(=O)CCNC(=O)C 1458a_100000183196_100000210614 [0,1,0,0,0,0|2,0,1]=4 2501 B14R0.2 CCCCCCCC(=O)CCNC(=O)C 1458a_100000211969_100000189650 [0,1,0,0,0,0|2,0,1]=4 2502 B14R0.2 CCCCCCCC(=O)CCNC(=O)N 1458a_100000181464_100000210614 [0,1,0,0,0,0|2,0,1]=4 2503 B14R0.2 CCCCCCCC(=O)CCNC(=O)N 1458a_100000211969_200000034859 [0,1,0,0,0,0|2,0,1]=4 2504 B14R0.2 CCCCCCCC(=O)CCOC(=O)C 1458a_100000211969_100009814007 [0,1,0,0,0,0|2,0,1]=4 2505 B14R0.2 CCCCCCCC(=O)CCOC(=O)N 1458a_100000211969_200011214921 [0,1,0,0,0,0|2,0,1]=4 2506 B14R0.2 CCCCCCCC(=O)CCSC(=O)C 1458a_100000048949_100000210614 [0,1,0,0,0,0|2,0,1]=4 2507 B14R0.2 CCCCCCCC(=O)COCC(=O)N 1458a_100011219004_100000210614 [0,1,0,0,0,0|2,0,1]=4 2508 B14R0.2 CCCCCCCC(=O)NCCC(=O)N 11a_100000740010_100000211969 [0,1,0,0,0,0|2,0,1]=4 2509 B14R0.2 CCCCCCCC(=O)NCCC(=O)N 240690a_100000740010_100000211969 [0,1,0,0,0,0|2,0,1]=4 2510 B14R0.2 CCCCCCCC(=O)NCCC(=O)N 527a_100000740010_100000211969 [0,1,0,0,0,0|2,0,1]=4 2511 B14R0.2 CCCCCCCC(C)NOCC(=O)O 269956a_100000106656_200011218727 [0,1,0,0,0,0|3,0,0]=4 2512 B14R0.2 CCCCCCCC(C)OCCC(=O)C 34a_100000759926_200011218727 [0,1,0,0,0,0|2,0,0]=3 2513 B14R0.2 CCCCCCCC(C)OCCC(=O)C 7a_100000759926_200011218727 [0,1,0,0,0,0|2,0,0]=3 2514 B14R0.2 CCCCCCCC(C)OCCC(=O)C 7a_200011215852_100000053229 [0,1,0,0,0,0|2,0,0]=3 2515 B14R0.2 CCCCCCCC(C)OCCC(=O)N 34a_100000757172_200011218727 [0,1,0,0,0,0|2,0,0]=3 2516 B14R0.2 CCCCCCCC(C)OCCC(=O)N 34a_200011215852_100000731001 [0,1,0,0,0,0|2,0,0]=3 2517 B14R0.2 CCCCCCCC(C)OCCC(=O)N 7a_100000757172_200011218727 [0,1,0,0,0,0|2,0,0]=3 2518 B14R0.2 CCCCCCCC(C)OCCC(=O)N 7a_200011215852_100000744528 [0,1,0,0,0,0|2,0,0]=3 2519 B14R0.2 CCCCCCCC(C)OCOC(=O)C 34a_200011215852_100009813279 [0,1,0,0,0,0|3,0,0]=4 2520 B14R0.2 CCCCCCCC(C)SCCC(=O)C 62a_100000053229_200011218727 [0,1,0,0,0,0|2,0,0]=3 2521 B14R0.2 CCCCCCCC(C)SCCC(=O)C 62a_200011218727_100000053229 [0,1,0,0,0,0|2,0,0]=3 2522 B14R0.2 CCCCCCCC(C)SCCC(=O)N 62a_100000744528_200011218727 [0,1,0,0,0,0|2,0,0]=3 2523 B14R0.2 CCCCCCCC(C)SCCC(=O)N 62a_200011218727_100000744528 [0,1,0,0,0,0|2,0,0]=3 2524 B14R0.2 CCCCCCCC(C)SCOC(=O)C 62a_100000076356_200011218727 [0,1,0,0,0,0|3,0,0]=4 2525 B14R0.2 CCCCCCCC(C)SCOC(=O)C 62a_200011218727_100000076356 [0,1,0,0,0,0|3,0,0]=4 2526 B14R0.2 CCCCCCCN(C)CCCC(=O)C 269982a_100000228206_100011215641 [0,1,0,0,0,0|2,0,0]=3 2527 B14R0.2 CCCCCCCN(C)CCCC(=O)N 269982a_100000228206_100102525003 [0,1,0,0,0,0|2,0,0]=3 2528 B14R0.2 CCCCCCCN(C)CCCC(=O)O 269956a_100000719178_100000210614 [0,1,0,0,0,0|2,0,0]=3 2529 B14R0.2 CCCCCCCN(C)CCNC(=O)C 2230a_100000228206_100000189650 [0,1,0,0,0,0|3,0,0]=4 2530 B14R0.2 CCCCCCCN(C)CCNC(=O)C 269982a_100000228206_100000189650 [0,1,0,0,0,0|3,0,0]=4 2531 B14R0.2 CCCCCCCN(C)CCNC(=O)N 2230a_100000228206_200000034859 [0,1,0,0,0,0|3,0,0]=4 2532 B14R0.2 CCCCCCCN(C)CCNC(=O)N 269982a_100000228206_200000034859 [0,1,0,0,0,0|3,0,0]=4 2533 B14R0.2 CCCCCCCN(C)CCOC(=O)C 269982a_100000228206_100009814007 [0,1,0,0,0,0|3,0,0]=4 2534 B14R0.2 CCCCCCCN(C)CCOC(=O)N 269982a_100000228206_200011214921 [0,1,0,0,0,0|3,0,0]=4 2535 B14R0.2 CCCCCCOC(C)CCCC(=O)[O-] 7a_100000761597_100000210314 [0,1,0,0,0,0|2,0,0]=3 2536 B14R0.2 CCCCOCCN(C)CCCC(=O)O 269956a_100000719178_100000743108 [0,1,0,0,0,0|3,0,0]=4 2537 B14R0.2 CCCOCCOC(C)CCCC(=O)[O-] 7a_100000761597_100011215938 [0,1,0,0,0,0|3,0,0]=4 2538 B14R0.2 CCOCCCOC(C)CCCC(=O)[O-] 7a_100000761597_100012232248 [0,1,0,0,0,0|3,0,0]=4 2539 B14R0.2 CN(CCCCCCF)CCCC(=O)O 269956a_100000719178_100015922095 [0,1,0,0,0,0|3,0,0]=4 2540 B14R0.2 CN(CCCCCCO)CCCC(=O)O 269956a_100000719178_100000766143 [0,1,0,0,0,0|3,0,0]=4 2541 B14R0.2 COCCCCCC(=O)CCCC(=O)C 1458a_100011935119_100011215641 [0,1,0,0,0,0|2,0,1]=4 2542 B14R0.2 COCCCCCC(=O)CCCC(=O)N 1458a_100011935119_100102525003 [0,1,0,0,0,0|2,0,1]=4 2543 B14R0.2 COCCCCOC(C)CCCC(=O)[O-] 7a_100000761597_100000730899 [0,1,0,0,0,0|3,0,0]=4 2544 B14R0.2 NC(=O)CCCC(=O)CCCCCCO 1458a_100011996774_100102525003 [0,1,0,0,0,0|2,0,1]=4 2545 B14R0.68 C=C(C)CCNCCCCCCC(C)C 2230a_100000211014_100000730704 [0,1,0,0,0,0|3,0,0]=4 2546 B14R0.68 C=C(C)CCNCCCCCCC(C)C 34a_100000211014_100000730704 [0,1,0,0,0,0|3,0,0]=4 2547 B14R0.68 C=C(C)COCCCCCCCC(C)C 34a_200000210741_100000748629 [0,1,0,0,0,0|3,0,0]=4 2548 B14R0.68 C=C(C)COCCCCCCCC(C)C 7a_200000210741_100000748629 [0,1,0,0,0,0|3,0,0]=4 2549 B14R0.68 C=C(F)COCCCCCCCC(C)C 34a_200000210741_100009893438 [0,1,0,0,0,0|2,1,0]=4 2550 B14R0.68 C=C(F)COCCCCCCCC(C)C 7a_200000210741_100000042424 [0,1,0,0,0,0|2,1,0]=4 2551 B14R0.68 CC(=O)CCCCNCCCCC(=O)N 34a_100000696515_100009817362 [0,1,0,0,0,0|2,0,1]=4 2552 B14R0.68 CC(=O)CCCCNCCCOC(C)C 34a_100000737246_100009817362 [0,1,0,0,0,0|3,0,0]=4 2553 B14R0.68 CC(=O)CCCCOCCCCC(=O)N 34a_100012022536_100009817362 [0,1,0,0,0,0|2,0,1]=4 2554 B14R0.68 CC(=O)CCCCOCCCCC(=O)N 7a_100012022536_100000735457 [0,1,0,0,0,0|2,0,1]=4 2555 B14R0.68 CC(=O)CCCCOCCCCC(C)C 34a_100011214890_100009817362 [0,1,0,0,0,0|2,0,0]=3 2556 B14R0.68 CC(=O)CCCCOCCCCC(C)C 7a_100011214890_100000735457 [0,1,0,0,0,0|2,0,0]=3 2557 B14R0.68 CC(=O)CCCCOCCCNC(C)C 34a_100000182298_100009817362 [0,1,0,0,0,0|3,0,0]=4 2558 B14R0.68 CC(=O)CCCCOCCNCC(C)C 34a_100015185251_100009817362 [0,1,0,0,0,0|3,0,0]=4 2559 B14R0.68 CC(=O)CCCCOCCOCC(C)C 34a_100000703358_100009817362 [0,1,0,0,0,0|3,0,0]=4 2560 B14R0.68 CC(=O)CCCCOCCOCC(C)C 7a_100000703358_100000735457 [0,1,0,0,0,0|3,0,0]=4 2561 B14R0.68 CC(=O)CCCCOCCSCC(C)C 34a_200000230437_100009817362 [0,1,0,0,0,0|3,0,0]=4 2562 B14R0.68 CC(=O)CCCCOCCSCC(C)C 7a_200000230437_100000735457 [0,1,0,0,0,0|3,0,0]=4 2563 B14R0.68 CC(=O)CCCCSCCCCC(=O)C 62a_100000735457_100000735457 [0,1,0,0,0,0|2,0,1]=4 2564 B14R0.68 CC(=O)CCCCSCCCCC(C)C 62a_100000735457_100011216152 [0,1,0,0,0,0|2,0,0]=3 2565 B14R0.68 CC(=O)CCCCSCCCCC(C)C 62a_100011216152_100000735457 [0,1,0,0,0,0|2,0,0]=3 2566 B14R0.68 CC(=O)CCCCSCCCCN(C)C 62a_100000735457_100000690147 [0,1,0,0,0,0|3,0,0]=4 2567 B14R0.68 CC(=O)CCCNCCCCCC(C)C 34a_100011290863_100000685027 [0,1,0,0,0,0|2,0,0]=3 2568 B14R0.68 CC(=O)CCCNCCCOCC(C)C 34a_100000205972_100000685027 [0,1,0,0,0,0|3,0,0]=4 2569 B14R0.68 CC(=O)CCCOCCCCCC(=O)N 34a_100000123541_100000685027 [0,1,0,0,0,0|2,0,1]=4 2570 B14R0.68 CC(=O)CCCOCCCCCC(=O)N 34a_100000759063_100009817443 [0,1,0,0,0,0|2,0,1]=4 2571 B14R0.68 CC(=O)CCCOCCCCCC(=O)N 7a_100000123541_100011215641 [0,1,0,0,0,0|2,0,1]=4 2572 B14R0.68 CC(=O)CCCOCCCCCC(=O)N 7a_100000759063_100009817443 [0,1,0,0,0,0|2,0,1]=4 2573 B14R0.68 CC(=O)CCCOCCCCCC(=O)[O-] 7a_100102619762_100011215641 [0,1,0,0,0,0|2,0,1]=4 2574 B14R0.68 CC(=O)CCCOCCCCCC(C)C 34a_100000759063_100000210682 [0,1,0,0,0,0|2,0,0]=3 2575 B14R0.68 CC(=O)CCCOCCCCCC(C)C 34a_100011995859_100000685027 [0,1,0,0,0,0|2,0,0]=3 2576 B14R0.68 CC(=O)CCCOCCCCCC(C)C 7a_100000759063_100000210682 [0,1,0,0,0,0|2,0,0]=3 2577 B14R0.68 CC(=O)CCCOCCCCCC(C)C 7a_100011995859_100011215641 [0,1,0,0,0,0|2,0,0]=3 2578 B14R0.68 CC(=O)CCCOCCCCNC(C)C 34a_100011521146_100000685027 [0,1,0,0,0,0|3,0,0]=4 2579 B14R0.68 CC(=O)CCCSCCCCCC(=O)N 62a_100009817443_100011215641 [0,1,0,0,0,0|2,0,1]=4 2580 B14R0.68 CC(=O)CCCSCCCCCC(=O)N 62a_100011215641_100009817443 [0,1,0,0,0,0|2,0,1]=4 2581 B14R0.68 CC(=O)CCCSCCCCCC(C)C 62a_100000210682_100011215641 [0,1,0,0,0,0|2,0,0]=3 2582 B14R0.68 CC(=O)CCCSCCCCCC(C)C 62a_100011215641_100000210682 [0,1,0,0,0,0|2,0,0]=3 2583 B14R0.68 CC(=O)NCCCCCCNCC(C)C 2230a_200011996284_100000210760 [0,1,0,0,0,0|3,0,0]=4 2584 B14R0.68 CC(=O)NCCCCCCNCC(C)C 270004a_200011996284_100000210432 [0,1,0,0,0,0|3,0,0]=4 2585 B14R0.68 CC(=O)NCCCCCCNCC(C)C 34a_200011996284_100000210624 [0,1,0,0,0,0|3,0,0]=4 2586 B14R0.68 CC(=O)NCCCCCCNCC(C)O 2230a_200011996284_100011218427 [0,1,0,0,0,0|3,0,0]=4 2587 B14R0.68 CC(=O)NCCCCCCNCC(C)O 34a_200011996284_100011218427 [0,1,0,0,0,0|3,0,0]=4 2588 B14R0.68 CC(=O)NCCCCCCNC[C@@H](C)O 2230a_200011996284_100009817552 [0,1,0,0,0,0|3,0,0]=4 2589 B14R0.68 CC(=O)NCCCCCCNC[C@@H](C)O 34a_200011996284_100009817552 [0,1,0,0,0,0|3,0,0]=4 2590 B14R0.68 CC(=O)NCCCCCNCCC(C)C 2230a_200012022750_100000210312 [0,1,0,0,0,0|3,0,0]=4 2591 B14R0.68 CC(=O)NCCCCCNCCC(C)C 269862a_200012022750_100000185833 [0,1,0,0,0,0|3,0,0]=4 2592 B14R0.68 CC(=O)NCCCCCNCCC(C)C 34a_200012022750_100000210312 [0,1,0,0,0,0|3,0,0]=4 2593 B14R0.68 CC(=O)NCCCCCNCCC(C)O 2230a_200012022750_100012276601 [0,1,0,0,0,0|3,0,0]=4 2594 B14R0.68 CC(=O)NCCCCCNCCC(C)O 34a_200012022750_100012276601 [0,1,0,0,0,0|3,0,0]=4 2595 B14R0.68 CC(=O)NCCCCNCCCC(C)C 2230a_200011368371_100011214892 [0,1,0,0,0,0|3,0,0]=4 2596 B14R0.68 CC(=O)NCCCCNCCCC(C)C 34a_200011368371_100011214892 [0,1,0,0,0,0|3,0,0]=4 2597 B14R0.68 CC(=O)NCCCCNCCCC(C)O 2230a_200011368371_200000718107 [0,1,0,0,0,0|3,0,0]=4 2598 B14R0.68 CC(=O)NCCCCNCCCC(C)O 34a_200011368371_200000718107 [0,1,0,0,0,0|3,0,0]=4 2599 B14R0.68 CC(=O)NCCCNCCCCC(C)C 34a_100000736810_100011216152 [0,1,0,0,0,0|3,0,0]=4 2600 B14R0.68 CC(=O)NCCCOCCCCC(C)C 34a_100000752032_100011216152 [0,1,0,0,0,0|3,0,0]=4 2601 B14R0.68 CC(=O)NCCNCCCCCC(C)C 2230a_100000209853_100000210682 [0,1,0,0,0,0|3,0,0]=4 2602 B14R0.68 CC(=O)NCCNCCCCCC(C)C 2230a_100011290863_100000189650 [0,1,0,0,0,0|3,0,0]=4 2603 B14R0.68 CC(=O)NCCOCCCCCC(C)C 34a_100000158858_100000210682 [0,1,0,0,0,0|3,0,0]=4 2604 B14R0.68 CC(=O)NCCOCCCCCC(C)C 7a_100011995859_100000189650 [0,1,0,0,0,0|3,0,0]=4 2605 B14R0.68 CC(=O)NCCSCCCCCC(C)C 62a_100000189650_100000210682 [0,1,0,0,0,0|3,0,0]=4 2606 B14R0.68 CC(=O)NCCSCCCCCC(C)C 62a_100000210682_100000189650 [0,1,0,0,0,0|3,0,0]=4 2607 B14R0.68 CC(=O)OCCCCCNCCC(C)O 2230a_200000755665_100009813381 [0,1,0,0,0,0|3,0,0]=4 2608 B14R0.68 CC(=O)OCCCCCOCCC(C)Br 34a_100009893172_100000033007 [0,1,0,0,0,0|3,0,0]=4 2609 B14R0.68 CC(=O)OCCCCCOCCC(C)C 34a_100000210254_100000033007 [0,1,0,0,0,0|3,0,0]=4 2610 B14R0.68 CC(=O)OCCCCCOCCC(C)C 7a_100000210254_100000033007 [0,1,0,0,0,0|3,0,0]=4 2611 B14R0.68 CC(=O)OCCCCCOCC[C@@H](C)N 34a_100000706166_100000033007 [0,1,0,0,0,0|3,0,0]=4 2612 B14R0.68 CC(=O)OCCCCCSCCC(C)C 62a_100000033007_100000210312 [0,1,0,0,0,0|3,0,0]=4 2613 B14R0.68 CC(=O)OCCCCCSCCC(C)C 62a_100000210312_100000033007 [0,1,0,0,0,0|3,0,0]=4 2614 B14R0.68 CC(=O)OCCCCCSCCC(C)O 62a_100000033007_100012276601 [0,1,0,0,0,0|3,0,0]=4 2615 B14R0.68 CC(=O)OCCCCCSCCC(C)O 62a_100012276601_100000033007 [0,1,0,0,0,0|3,0,0]=4 2616 B14R0.68 CC(=O)OCCCCNCCCC(C)C 34a_200000737386_100000033659 [0,1,0,0,0,0|3,0,0]=4 2617 B14R0.68 CC(=O)OCCCCOCCCC(C)C 34a_100000073216_100011214892 [0,1,0,0,0,0|3,0,0]=4 2618 B14R0.68 CC(=O)OCCCCOCCCC(C)C 34a_100000210774_100000033659 [0,1,0,0,0,0|3,0,0]=4 2619 B14R0.68 CC(=O)OCCCCOCCCC(C)C 7a_100000073216_100011214892 [0,1,0,0,0,0|3,0,0]=4 2620 B14R0.68 CC(=O)OCCCCOCCCC(C)C 7a_100000210774_100000033659 [0,1,0,0,0,0|3,0,0]=4 2621 B14R0.68 CC(=O)OCCCCOCCCC(C)O 34a_100000073216_200000718107 [0,1,0,0,0,0|3,0,0]=4 2622 B14R0.68 CC(=O)OCCCCOCCCC(C)O 7a_100000073216_200000718107 [0,1,0,0,0,0|3,0,0]=4 2623 B14R0.68 CC(=O)OCCCCSCCCC(C)C 62a_100000033659_100011214892 [0,1,0,0,0,0|3,0,0]=4 2624 B14R0.68 CC(=O)OCCCCSCCCC(C)C 62a_100011214892_100000033659 [0,1,0,0,0,0|3,0,0]=4 2625 B14R0.68 CC(=O)OCCCCSCCCC(C)O 62a_100000033659_200000718107 [0,1,0,0,0,0|3,0,0]=4 2626 B14R0.68 CC(=O)OCCCCSCCCC(C)O 62a_200000718107_100000033659 [0,1,0,0,0,0|3,0,0]=4 2627 B14R0.68 CC(=O)OCCCOCCCCC(C)C 34a_100011214890_100000042594 [0,1,0,0,0,0|3,0,0]=4 2628 B14R0.68 CC(=O)OCCCOCCCCC(C)C 7a_100011214890_100000042594 [0,1,0,0,0,0|3,0,0]=4 2629 B14R0.68 CC(=O)OCCCSCCCCC(C)C 62a_100000042594_100011216152 [0,1,0,0,0,0|3,0,0]=4 2630 B14R0.68 CC(=O)OCCCSCCCCC(C)C 62a_100011216152_100000042594 [0,1,0,0,0,0|3,0,0]=4 2631 B14R0.68 CC(=O)OCCNCCCCCC(C)C 34a_100011290863_100009814007 [0,1,0,0,0,0|3,0,0]=4 2632 B14R0.68 CC(=O)OCCOCCCCCC(C)C 34a_100011995859_100009814007 [0,1,0,0,0,0|3,0,0]=4 2633 B14R0.68 CC(=O)OCCOCCCCCC(C)C 7a_100011995859_100009814007 [0,1,0,0,0,0|3,0,0]=4 2634 B14R0.68 CC(=O)OCCSCCCCCC(C)C 62a_100000210682_100009814007 [0,1,0,0,0,0|3,0,0]=4 2635 B14R0.68 CC(=O)OCCSCCCCCC(C)C 62a_100009814007_100000210682 [0,1,0,0,0,0|3,0,0]=4 2636 B14R0.68 CC(=O)OCNCCCCCCC(C)C 34a_100000211014_100009813279 [0,1,0,0,0,0|3,0,0]=4 2637 B14R0.68 CC(=O)SCCCCCCNCC(C)C 270004a_100000704104_100000210432 [0,1,0,0,0,0|3,0,0]=4 2638 B14R0.68 CC(=O)SCCCCNCCCC(C)C 2230a_200000737386_200010402107 [0,1,0,0,0,0|3,0,0]=4 2639 B14R0.68 CC(=O)SCCCCNCCCC(C)C 34a_200000737386_200010402107 [0,1,0,0,0,0|3,0,0]=4 2640 B14R0.68 CC(=O)SCCCCOCCCC(C)C 34a_100000210774_200010402107 [0,1,0,0,0,0|3,0,0]=4 2641 B14R0.68 CC(=O)SCCCCOCCCC(C)C 7a_100000210774_200010402107 [0,1,0,0,0,0|3,0,0]=4 2642 B14R0.68 CC(=O)SCCCCSCCCC(C)C 62a_100011214892_200010402107 [0,1,0,0,0,0|3,0,0]=4 2643 B14R0.68 CC(=O)SCCCCSCCCC(C)C 62a_200010402107_100011214892 [0,1,0,0,0,0|3,0,0]=4 2644 B14R0.68 CC(=O)SCCCCSCCCC(C)O 62a_200000718107_200010402107 [0,1,0,0,0,0|3,0,0]=4 2645 B14R0.68 CC(=O)SCCCCSCCCC(C)O 62a_200010402107_200000718107 [0,1,0,0,0,0|3,0,0]=4 2646 B14R0.68 CC(=O)SCCCOCCCCC(C)C 34a_100011214890_100000038929 [0,1,0,0,0,0|3,0,0]=4 2647 B14R0.68 CC(=O)SCCCOCCCCC(C)C 7a_100011214890_100000038929 [0,1,0,0,0,0|3,0,0]=4 2648 B14R0.68 CC(=O)SCCCSCCCCC(C)C 62a_100000038929_100011216152 [0,1,0,0,0,0|3,0,0]=4 2649 B14R0.68 CC(=O)SCCCSCCCCC(C)C 62a_100011216152_100000038929 [0,1,0,0,0,0|3,0,0]=4 2650 B14R0.68 CC(C)CCCCCCCOCC(=O)N 34a_200000210741_100000187820 [0,1,0,0,0,0|2,0,0]=3 2651 B14R0.68 CC(C)CCCCCCCOCC(=O)N 7a_200000210741_100000187820 [0,1,0,0,0,0|2,0,0]=3 2652 B14R0.68 CC(C)CCCCCCCOCC(=O)[O-] 34a_200000210741_100020667443 [0,1,0,0,0,0|2,0,0]=3 2653 B14R0.68 CC(C)CCCCCCCOC[N+](=O)[O-] 34a_200000210741_100000761209 [0,1,0,0,0,0|3,0,0]=4 2654 B14R0.68 CC(C)CCCCCCNCCC(=O)N 2230a_100000211014_100000744528 [0,1,0,0,0,0|2,0,0]=3 2655 B14R0.68 CC(C)CCCCCCNCCC(=O)N 34a_100000211014_100000731001 [0,1,0,0,0,0|2,0,0]=3 2656 B14R0.68 CC(C)CCCCCNCCCC(=O)N 34a_100000739312_100000210682 [0,1,0,0,0,0|2,0,0]=3 2657 B14R0.68 CC(C)CCCCCNCCCC(=O)N 34a_100011290863_100102525003 [0,1,0,0,0,0|2,0,0]=3 2658 B14R0.68 CC(C)CCCCCNCCCS(=O)C 2230a_200000753449_100000210682 [0,1,0,0,0,0|3,0,0]=4 2659 B14R0.68 CC(C)CCCCCNCCNC(=O)N 2230a_100011290863_200000034859 [0,1,0,0,0,0|3,0,0]=4 2660 B14R0.68 CC(C)CCCCCNCCNC(=O)N 34a_100020590234_100000210682 [0,1,0,0,0,0|3,0,0]=4 2661 B14R0.68 CC(C)CCCCCNCCOC(=O)N 34a_100011290863_200011214921 [0,1,0,0,0,0|3,0,0]=4 2662 B14R0.68 CC(C)CCCCCOCCCC(=O)N 34a_100011995859_100102525003 [0,1,0,0,0,0|2,0,0]=3 2663 B14R0.68 CC(C)CCCCCOCCCC(=O)N 7a_100011995859_100102525003 [0,1,0,0,0,0|2,0,0]=3 2664 B14R0.68 CC(C)CCCCCOCCC[N+](=O)[O-] 34a_200000037920_100000210682 [0,1,0,0,0,0|3,0,0]=4 2665 B14R0.68 CC(C)CCCCCOCCNC(=O)N 34a_100000181757_100000210682 [0,1,0,0,0,0|3,0,0]=4 2666 B14R0.68 CC(C)CCCCCOCCNC(=O)N 7a_100011995859_200000034859 [0,1,0,0,0,0|3,0,0]=4 2667 B14R0.68 CC(C)CCCCCOCCOC(=O)N 34a_100011995859_200011214921 [0,1,0,0,0,0|3,0,0]=4 2668 B14R0.68 CC(C)CCCCCOCCOC(=O)N 7a_100000766696_100000210682 [0,1,0,0,0,0|3,0,0]=4 2669 B14R0.68 CC(C)CCCCCOCCOC(=O)N 7a_100011995859_200011214921 [0,1,0,0,0,0|3,0,0]=4 2670 B14R0.68 CC(C)CCCCCSCCCC(=O)N 62a_100000210682_100102525003 [0,1,0,0,0,0|2,0,0]=3 2671 B14R0.68 CC(C)CCCCCSCCCC(=O)N 62a_100102525003_100000210682 [0,1,0,0,0,0|2,0,0]=3 2672 B14R0.68 CC(C)CCCCCSCCNC(=O)N 62a_100000210682_200000034859 [0,1,0,0,0,0|3,0,0]=4 2673 B14R0.68 CC(C)CCCCCSCCNC(=O)N 62a_200000034859_100000210682 [0,1,0,0,0,0|3,0,0]=4 2674 B14R0.68 CC(C)CCCCCSCCOC(=O)N 62a_100000210682_200011214921 [0,1,0,0,0,0|3,0,0]=4 2675 B14R0.68 CC(C)CCCCCSCCOC(=O)N 62a_200011214921_100000210682 [0,1,0,0,0,0|3,0,0]=4 2676 B14R0.68 CC(C)CCCCNCCCCC(=O)N 34a_100000696515_100011216152 [0,1,0,0,0,0|2,0,0]=3 2677 B14R0.68 CC(C)CCCCNCCOCC(=O)O 269956a_100000700818_100011216152 [0,1,0,0,0,0|3,0,0]=4 2678 B14R0.68 CC(C)CCCCOCCCCC(=O)N 34a_100012022536_100011216152 [0,1,0,0,0,0|2,0,0]=3 2679 B14R0.68 CC(C)CCCCOCCCCC(=O)N 7a_100012022536_100011216152 [0,1,0,0,0,0|2,0,0]=3 2680 B14R0.68 CC(C)CCCCOCCCC[N+](=O)[O-] 34a_200015379883_100011216152 [0,1,0,0,0,0|3,0,0]=4 2681 B14R0.68 CC(C)CCCCOCCCC[N+](=O)[O-] 7a_200015379883_100011216152 [0,1,0,0,0,0|3,0,0]=4 2682 B14R0.68 CC(C)CCCCOCCOCC(=O)N 34a_100011214890_100000076697 [0,1,0,0,0,0|3,0,0]=4 2683 B14R0.68 CC(C)CCCCOCCOCC(=O)N 7a_100011214890_100000076697 [0,1,0,0,0,0|3,0,0]=4 2684 B14R0.68 CC(C)CCCCSCCOCC(=O)N 62a_100000076697_100011216152 [0,1,0,0,0,0|3,0,0]=4 2685 B14R0.68 CC(C)CCCCSCCOCC(=O)N 62a_100011216152_100000076697 [0,1,0,0,0,0|3,0,0]=4 2686 B14R0.68 CC(C)CCCNCCCCCC(=O)N 2230a_200000737386_100009817443 [0,1,0,0,0,0|2,0,0]=3 2687 B14R0.68 CC(C)CCCNCCCCCC(=O)N 34a_200000737386_100009817443 [0,1,0,0,0,0|2,0,0]=3 2688 B14R0.68 CC(C)CCCOCCCCCC(=O)N 34a_100000123541_100011214892 [0,1,0,0,0,0|2,0,0]=3 2689 B14R0.68 CC(C)CCCOCCCCCC(=O)N 34a_100000210774_100009817443 [0,1,0,0,0,0|2,0,0]=3 2690 B14R0.68 CC(C)CCCOCCCCCC(=O)N 7a_100000123541_100011214892 [0,1,0,0,0,0|2,0,0]=3 2691 B14R0.68 CC(C)CCCOCCCCCC(=O)N 7a_100000210774_100009817443 [0,1,0,0,0,0|2,0,0]=3 2692 B14R0.68 CC(C)CCCOCCCCCC(=O)[O-] 7a_100102619762_100011214892 [0,1,0,0,0,0|2,0,0]=3 2693 B14R0.68 CC(C)CCCSCCCCCC(=O)N 62a_100009817443_100011214892 [0,1,0,0,0,0|2,0,0]=3 2694 B14R0.68 CC(C)CCCSCCCCCC(=O)N 62a_100011214892_100009817443 [0,1,0,0,0,0|2,0,0]=3 2695 B14R0.68 CC(C)COCCCNCCCC(=O)N 34a_100000205972_100102525003 [0,1,0,0,0,0|3,0,0]=4 2696 B14R0.68 CC(C)NCCCCCOCCC(=O)N 34a_100011629493_100000731001 [0,1,0,0,0,0|3,0,0]=4 2697 B14R0.68 CC(C)NCCCCOCCCC(=O)N 34a_100011521146_100102525003 [0,1,0,0,0,0|3,0,0]=4 2698 B14R0.68 CC(C)NCCOCCCCCC(=O)N 34a_100000224655_100009817443 [0,1,0,0,0,0|3,0,0]=4 2699 B14R0.68 CC(C)OCCNCCCCCC(=O)N 2230a_100000701111_100009817443 [0,1,0,0,0,0|3,0,0]=4 2700 B14R0.68 CC(C)OCCNCCCCCC(=O)N 34a_100000701111_100009817443 [0,1,0,0,0,0|3,0,0]=4 2701 B14R0.68 CC(C)OCCOCCCCCC(=O)N 34a_100000123541_100000211751 [0,1,0,0,0,0|3,0,0]=4 2702 B14R0.68 CC(C)OCCOCCCCCC(=O)N 34a_100000211219_100009817443 [0,1,0,0,0,0|3,0,0]=4 2703 B14R0.68 CC(C)OCCOCCCCCC(=O)N 7a_100000123541_100000211751 [0,1,0,0,0,0|3,0,0]=4 2704 B14R0.68 CC(C)OCCOCCCCCC(=O)N 7a_100000211219_100009817443 [0,1,0,0,0,0|3,0,0]=4 2705 B14R0.68 CC(C)OCCOCCCCCC(=O)[O-] 7a_100102619762_100000211751 [0,1,0,0,0,0|3,0,0]=4 2706 B14R0.68 CC(C)OCCSCCCCCC(=O)N 62a_100000211751_100009817443 [0,1,0,0,0,0|3,0,0]=4 2707 B14R0.68 CC(C)OCCSCCCCCC(=O)N 62a_100009817443_100000211751 [0,1,0,0,0,0|3,0,0]=4 2708 B14R0.68 CC(C)SCCNCCCCCC(=O)N 2230a_100000731138_100009817443 [0,1,0,0,0,0|3,0,0]=4 2709 B14R0.68 CC(C)SCCNCCCCCC(=O)N 34a_100000731138_100009817443 [0,1,0,0,0,0|3,0,0]=4 2710 B14R0.68 CC(C)SCCOCCCCCC(=O)N 34a_100000123541_100000730970 [0,1,0,0,0,0|3,0,0]=4 2711 B14R0.68 CC(C)SCCOCCCCCC(=O)N 34a_200011212901_100009817443 [0,1,0,0,0,0|3,0,0]=4 2712 B14R0.68 CC(C)SCCOCCCCCC(=O)N 7a_100000123541_100000730970 [0,1,0,0,0,0|3,0,0]=4 2713 B14R0.68 CC(C)SCCOCCCCCC(=O)N 7a_200011212901_100009817443 [0,1,0,0,0,0|3,0,0]=4 2714 B14R0.68 CC(C)SCCOCCCCCC(=O)[O-] 7a_100102619762_100000730970 [0,1,0,0,0,0|3,0,0]=4 2715 B14R0.68 CC(C)SCCSCCCCCC(=O)N 62a_100000730970_100009817443 [0,1,0,0,0,0|3,0,0]=4 2716 B14R0.68 CC(C)SCCSCCCCCC(=O)N 62a_100009817443_100000730970 [0,1,0,0,0,0|3,0,0]=4 2717 B14R0.68 CC(O)CCCOCCCCCC(=O)N 34a_100000123541_200000718107 [0,1,0,0,0,0|2,0,0]=3 2718 B14R0.68 CC(O)CCCOCCCCCC(=O)N 7a_100000123541_200000718107 [0,1,0,0,0,0|2,0,0]=3 2719 B14R0.68 CC(O)CCCOCCCCCC(=O)[O-] 7a_100102619762_200000718107 [0,1,0,0,0,0|2,0,0]=3 2720 B14R0.68 CC(O)CCCSCCCCCC(=O)N 62a_100009817443_200000718107 [0,1,0,0,0,0|2,0,0]=3 2721 B14R0.68 CC(O)CCCSCCCCCC(=O)N 62a_200000718107_100009817443 [0,1,0,0,0,0|2,0,0]=3 2722 B14R0.68 CN(C)CCCOCCCCCC(=O)N 7a_100000123541_100000757444 [0,1,0,0,0,0|3,0,0]=4 2723 B14R0.68 CN(C)CCCOCCCCCC(=O)[O-] 7a_100102619762_100000757444 [0,1,0,0,0,0|3,0,0]=4 2724 B14R0.68 CN(C)CCCSCCCCCC(=O)N 62a_100009817443_100000757444 [0,1,0,0,0,0|3,0,0]=4 2725 B14R0.68 CS(=O)CCCNCCCCCC(=O)N 2230a_200000753449_100009817443 [0,1,0,0,0,0|3,0,0]=4 2726 B14R0.88 CCCCCCCCCCNS(=O)(=O)C 40a_100000684558_100000738038 [0,1,0,0,0,0|3,0,0]=4 2727 B14R0.88 CCCCCCCCCNCS(=O)(=O)[O-] 34a_100000212291_100009817235 [0,1,0,0,0,0|3,0,0]=4 2728 B14R0.88 CCCCCCCCCOCC(F)(F)Cl 34a_100000734434_100011214924 [0,1,0,0,0,0|2,0,1]=4 2729 B14R0.88 CCCCCCCCCOCS(=O)(=O)[O-] 34a_100000210712_100009817235 [0,1,0,0,0,0|3,0,0]=4 2730 B14R0.88 CCCCCCCCCSCS(=O)(=O)N 62a_100000741382_100000210670 [0,1,0,0,0,0|3,0,0]=4 2731 B14R0.88 CCCCCCCCCSCS(=O)(=O)[O-] 62a_100009817235_100000210670 [0,1,0,0,0,0|3,0,0]=4 2732 B14R0.88 CCCCCCCCNCCS(=O)(=O)C 2230a_100000229939_100000731031 [0,1,0,0,0,0|3,0,0]=4 2733 B14R0.88 CCCCCCCCNCCS(=O)(=O)C 2230a_100000740961_100000210759 [0,1,0,0,0,0|3,0,0]=4 2734 B14R0.88 CCCCCCCCNCCS(=O)(=O)C 34a_100000229939_100000731031 [0,1,0,0,0,0|3,0,0]=4 2735 B14R0.88 CCCCCCCCNCCS(=O)(=O)C 34a_100000740961_100000210759 [0,1,0,0,0,0|3,0,0]=4 2736 B14R0.88 CCCCCCCCNCCS(=O)(=O)N 2230a_100000738205_100000210759 [0,1,0,0,0,0|3,0,0]=4 2737 B14R0.88 CCCCCCCCNCCS(=O)(=O)N 34a_100000738205_100000210759 [0,1,0,0,0,0|3,0,0]=4 2738 B14R0.88 CCCCCCCCNCCS(=O)(=O)[O-] 2230a_100000229939_100000737633 [0,1,0,0,0,0|3,0,0]=4 2739 B14R0.88 CCCCCCCCNCCS(=O)(=O)[O-] 34a_100000229939_100000762736 [0,1,0,0,0,0|3,0,0]=4 2740 B14R0.88 CCCCCCCCOCCS(=O)(=O)C 34a_100000210232_100000731031 [0,1,0,0,0,0|3,0,0]=4 2741 B14R0.88 CCCCCCCCOCCS(=O)(=O)C 34a_100000211924_100000210759 [0,1,0,0,0,0|3,0,0]=4 2742 B14R0.88 CCCCCCCCOCCS(=O)(=O)C 7a_100000210232_100000230027 [0,1,0,0,0,0|3,0,0]=4 2743 B14R0.88 CCCCCCCCOCCS(=O)(=O)C 7a_100000211924_100000210759 [0,1,0,0,0,0|3,0,0]=4 2744 B14R0.88 CCCCCCCCOCCS(=O)(=O)N 34a_100012334274_100000210759 [0,1,0,0,0,0|3,0,0]=4 2745 B14R0.88 CCCCCCCCOCCS(=O)(=O)[O-] 34a_100000210232_100000762736 [0,1,0,0,0,0|3,0,0]=4 2746 B14R0.88 CCCCCCCCSCCS(=O)(=O)C 62a_100000210759_100000230027 [0,1,0,0,0,0|3,0,0]=4 2747 B14R0.88 CCCCCCCCSCCS(=O)(=O)C 62a_100000731031_100000210317 [0,1,0,0,0,0|3,0,0]=4 2748 B14R0.88 CCCCCCCCSCCS(=O)(=O)[O-] 62a_100000210759_100000762736 [0,1,0,0,0,0|3,0,0]=4 2749 B14R0.88 CCCCCCCCSCCS(=O)(=O)[O-] 62a_100000762736_100000210317 [0,1,0,0,0,0|3,0,0]=4 2750 B14R0.88 CCCCCCCNCCCS(=O)(=O)C 2230a_100000229938_100000754308 [0,1,0,0,0,0|3,0,0]=4 2751 B14R0.88 CCCCCCCNCCCS(=O)(=O)C 2230a_100000742409_100000210681 [0,1,0,0,0,0|3,0,0]=4 2752 B14R0.88 CCCCCCCNCCCS(=O)(=O)C 34a_100000742409_100000210614 [0,1,0,0,0,0|3,0,0]=4 2753 B14R0.88 CCCCCCCNCCCS(=O)(=O)N 2230a_100000229938_100000750626 [0,1,0,0,0,0|3,0,0]=4 2754 B14R0.88 CCCCCCCOCCCS(=O)(=O)C 34a_100000210272_100000754308 [0,1,0,0,0,0|3,0,0]=4 2755 B14R0.88 CCCCCCCOCCCS(=O)(=O)C 34a_100000689940_100000210614 [0,1,0,0,0,0|3,0,0]=4 2756 B14R0.88 CCCCCCCOCCCS(=O)(=O)C 7a_100000210272_100000754308 [0,1,0,0,0,0|3,0,0]=4 2757 B14R0.88 CCCCCCCOCCCS(=O)(=O)C 7a_100000689940_100000210614 [0,1,0,0,0,0|3,0,0]=4 2758 B14R0.88 CCCCCCCOCCCS(=O)(=O)N 34a_100000210272_100000750626 [0,1,0,0,0,0|3,0,0]=4 2759 B14R0.88 CCCCCCCOCCCS(=O)(=O)N 7a_100000210272_100000750626 [0,1,0,0,0,0|3,0,0]=4 2760 B14R0.88 CCCCCCCOCCCS(=O)(=O)[O-] 34a_100000210272_100009813499 [0,1,0,0,0,0|3,0,0]=4 2761 B14R0.88 CCCCCCCSCCCS(=O)(=O)C 62a_100000210614_100000754308 [0,1,0,0,0,0|3,0,0]=4 2762 B14R0.88 CCCCCCCSCCCS(=O)(=O)C 62a_100000754308_100000210316 [0,1,0,0,0,0|3,0,0]=4 2763 B14R0.88 CCCCCCCSCCCS(=O)(=O)N 62a_100000210614_100000750626 [0,1,0,0,0,0|3,0,0]=4 2764 B14R0.88 CCCCCCCSCCCS(=O)(=O)N 62a_100000750626_100000210316 [0,1,0,0,0,0|3,0,0]=4 2765 B14R0.88 CCCCCCCSCCCS(=O)(=O)[O-] 62a_100000210614_100009813499 [0,1,0,0,0,0|3,0,0]=4 2766 B14R0.88 CCCCCCCSCCCS(=O)(=O)[O-] 62a_100009813499_100000210316 [0,1,0,0,0,0|3,0,0]=4 2767 B14R0.153 C=C(C)COCCCCC(C)CCCC 34a_200011021034_100000748629 [0,1,0,0,0,0|3,0,0]=4 2768 B14R0.153 C=C(C)COCCCCC(C)CCCC 7a_200011021034_100000748629 [0,1,0,0,0,0|3,0,0]=4 2769 B14R0.153 C=C(F)COCCCCC(C)CCCC 34a_200011021034_100009893438 [0,1,0,0,0,0|2,1,0]=4 2770 B14R0.153 C=C(F)COCCCCC(C)CCCC 7a_200011021034_100000042424 [0,1,0,0,0,0|2,1,0]=4 2771 B14R0.153 CC(=O)CCCCNC[C@H](C)CCCO 34a_100160569302_100009817362 [0,1,0,0,0,0|3,0,0]=4 2772 B14R0.153 CC(CCCCl)OCCCCCC(=O)N 34a_200000718107_100009817443 [0,1,0,0,0,0|3,0,0]=4 2773 B14R0.153 CC(CCCCl)OCCCCCC(=O)N 7a_200000718107_100009817443 [0,1,0,0,0,0|3,0,0]=4 2774 B14R0.153 CCCCC(=O)CCCCCNC(=O)C 1458a_100000183861_100000210211 [0,1,0,0,0,0|2,0,1]=4 2775 B14R0.153 CCCCC(=O)CCCCCOC(=O)C 1458a_100000210183_100000033007 [0,1,0,0,0,0|2,0,1]=4 2776 B14R0.153 CCCCC(C)CCCCOCC(=O)N 34a_200011021034_100000187820 [0,1,0,0,0,0|2,0,0]=3 2777 B14R0.153 CCCCC(C)CCCCOCC(=O)N 7a_200011021034_100000187820 [0,1,0,0,0,0|2,0,0]=3 2778 B14R0.153 CCCCC(C)CCCCOCC(=O)[O-] 34a_200011021034_100020667443 [0,1,0,0,0,0|2,0,0]=3 2779 B14R0.153 CCCCC(C)CCCCOC[N+](=O)[O-] 34a_200011021034_100000761209 [0,1,0,0,0,0|3,0,0]=4 2780 B14R0.153 CCCCC(C)COCCCCC(=O)C 34a_100011995851_100009817362 [0,1,0,0,0,0|2,0,0]=3 2781 B14R0.153 CCCCC(C)COCCCCC(=O)C 7a_100011995851_100000735457 [0,1,0,0,0,0|2,0,0]=3 2782 B14R0.153 CCCCC(C)COCCCOC(=O)C 34a_100011995851_100000042594 [0,1,0,0,0,0|3,0,0]=4 2783 B14R0.153 CCCCC(C)COCCCOC(=O)C 7a_100011995851_100000042594 [0,1,0,0,0,0|3,0,0]=4 2784 B14R0.153 CCCCC(C)COCCCSC(=O)C 34a_100011995851_100000038929 [0,1,0,0,0,0|3,0,0]=4 2785 B14R0.153 CCCCC(C)COCCCSC(=O)C 7a_100011995851_100000038929 [0,1,0,0,0,0|3,0,0]=4 2786 B14R0.153 CCCCC(C)COCCOCC(=O)N 34a_100011995851_100000076697 [0,1,0,0,0,0|3,0,0]=4 2787 B14R0.153 CCCCC(C)COCCOCC(=O)N 7a_100011995851_100000076697 [0,1,0,0,0,0|3,0,0]=4 2788 B14R0.153 CCCCC(C)NCCCCCC(=O)N 2230a_100000126638_100009817443 [0,1,0,0,0,0|2,0,0]=3 2789 B14R0.153 CCCCC(C)NCCCCNC(=O)C 2230a_200011368371_200011215066 [0,1,0,0,0,0|3,0,0]=4 2790 B14R0.153 CCCCC(C)NCCCCNC(=O)C 270004a_200011368371_100000210087 [0,1,0,0,0,0|3,0,0]=4 2791 B14R0.153 CCCCC(C)NCCCCNC(=O)C 34a_200011368371_200011215066 [0,1,0,0,0,0|3,0,0]=4 2792 B14R0.153 CCCCC(C)NCCCCSC(=O)C 2230a_100000126638_200010402107 [0,1,0,0,0,0|3,0,0]=4 2793 B14R0.153 CCCCC(C)OCCCCCC(=O)N 34a_100000123541_200011215066 [0,1,0,0,0,0|2,0,0]=3 2794 B14R0.153 CCCCC(C)OCCCCCC(=O)N 34a_100000687866_100009817443 [0,1,0,0,0,0|2,0,0]=3 2795 B14R0.153 CCCCC(C)OCCCCCC(=O)N 7a_100000123541_200011215066 [0,1,0,0,0,0|2,0,0]=3 2796 B14R0.153 CCCCC(C)OCCCCCC(=O)N 7a_100000687866_100009817443 [0,1,0,0,0,0|2,0,0]=3 2797 B14R0.153 CCCCC(C)OCCCCCC(=O)[O-] 7a_100102619762_200011215066 [0,1,0,0,0,0|2,0,0]=3 2798 B14R0.153 CCCCC(C)OCCCCOC(=O)C 34a_100000073216_200011215066 [0,1,0,0,0,0|3,0,0]=4 2799 B14R0.153 CCCCC(C)OCCCCOC(=O)C 34a_100000687866_100000033659 [0,1,0,0,0,0|3,0,0]=4 2800 B14R0.153 CCCCC(C)OCCCCOC(=O)C 7a_100000073216_200011215066 [0,1,0,0,0,0|3,0,0]=4 2801 B14R0.153 CCCCC(C)OCCCCOC(=O)C 7a_100000687866_100000033659 [0,1,0,0,0,0|3,0,0]=4 2802 B14R0.153 CCCCC(C)OCCCCSC(=O)C 34a_100000687866_200010402107 [0,1,0,0,0,0|3,0,0]=4 2803 B14R0.153 CCCCC(C)OCCCCSC(=O)C 7a_100000687866_200010402107 [0,1,0,0,0,0|3,0,0]=4 2804 B14R0.153 CCCCC(C)SCCCCCC(=O)N 62a_100009817443_200011215066 [0,1,0,0,0,0|2,0,0]=3 2805 B14R0.153 CCCCC(C)SCCCCCC(=O)N 62a_200011215066_100009817443 [0,1,0,0,0,0|2,0,0]=3 2806 B14R0.153 CCCCC(C)SCCCCOC(=O)C 62a_100000033659_200011215066 [0,1,0,0,0,0|3,0,0]=4 2807 B14R0.153 CCCCC(C)SCCCCOC(=O)C 62a_200011215066_100000033659 [0,1,0,0,0,0|3,0,0]=4 2808 B14R0.153 CCCCC(C)SCCCCSC(=O)C 62a_200010402107_200011215066 [0,1,0,0,0,0|3,0,0]=4 2809 B14R0.153 CCCCC(C)SCCCCSC(=O)C 62a_200011215066_200010402107 [0,1,0,0,0,0|3,0,0]=4 2810 B14R0.153 CCCCN(C)CCCCCOC(=O)C 2230a_100000207549_100009813381 [0,1,0,0,0,0|3,0,0]=4 2811 B14R0.153 CCCCN(C)CCCCCOC(=O)C 269982a_100000207549_100000033007 [0,1,0,0,0,0|3,0,0]=4 2812 B14R0.153 CCCC[C@H](N)COCCCCC(=O)C 34a_100011934283_100009817362 [0,1,0,0,0,0|2,0,0]=3 2813 B14R0.153 CCCC[C@H](N)COCCCOC(=O)C 34a_100011934283_100000042594 [0,1,0,0,0,0|3,0,0]=4 2814 B14R0.153 CCCC[C@H](N)COCCCSC(=O)C 34a_100011934283_100000038929 [0,1,0,0,0,0|3,0,0]=4 2815 B14R0.153 CCCC[C@H](N)COCCOCC(=O)N 34a_100011934283_100000076697 [0,1,0,0,0,0|3,0,0]=4 2816 B14R0.153 CCCOC(C)CNCCCCC(=O)C 34a_100015185124_100009817362 [0,1,0,0,0,0|3,0,0]=4 2817 B14R0.153 CCOCC(C)OCCCCCC(=O)N 34a_100000718985_100009817443 [0,1,0,0,0,0|3,0,0]=4 2818 B14R0.153 CCOCC(C)OCCCCCC(=O)N 7a_100000718985_100009817443 [0,1,0,0,0,0|3,0,0]=4 2819 B14R0.153 CCOCC(O)CNCCCCC(=O)C 34a_102515437182_100009817362 [0,1,0,0,0,0|3,0,0]=4 2820 B14R0.153 CSCC[C@H](N)COCCCCC(=O)C 34a_100011827619_100009817362 [0,1,0,0,0,0|3,0,0]=4 2821 B14R0.231 CC(=O)CCCOC[C@@H](N)CCCCN 34a_100016993712_100000685027 [0,1,0,0,0,0|3,0,0]=4 2822 B14R0.231 CCCCCC(=O)CCCCCC(=O)N 1458a_100000212188_100009817443 [0,1,0,0,0,0|1,0,1]=3 2823 B14R0.231 CCCCCC(=O)CCCCC[N+](=O)[O-] 1458a_100000043470_100000210326 [0,1,0,0,0,0|2,0,1]=4 2824 B14R0.231 CCCCCC(=O)CCCCOC(=O)C 1458a_100000212188_100000033659 [0,1,0,0,0,0|2,0,1]=4 2825 B14R0.231 CCCCCC(=O)CCCCSC(=O)C 1458a_100000212188_200010402107 [0,1,0,0,0,0|2,0,1]=4 2826 B14R0.231 CCCCCC(=O)CNCCCC(=O)N 34a_100000739312_200012276598 [0,1,0,0,0,0|2,0,1]=4 2827 B14R0.231 CCCCCC(=O)COCCCC(=O)C 34a_100000759063_200012276598 [0,1,0,0,0,0|2,0,1]=4 2828 B14R0.231 CCCCCC(=O)COCCCC(=O)C 7a_100000759063_200012276598 [0,1,0,0,0,0|2,0,1]=4 2829 B14R0.231 CCCCCC(=O)CSCCCC(=O)C 62a_100011215641_200012276598 [0,1,0,0,0,0|2,0,1]=4 2830 B14R0.231 CCCCCC(=O)CSCCCC(=O)C 62a_200012276598_100011215641 [0,1,0,0,0,0|2,0,1]=4 2831 B14R0.231 CCCCCC(=O)CSCCCC(=O)N 62a_100102525003_200012276598 [0,1,0,0,0,0|2,0,1]=4 2832 B14R0.231 CCCCCC(=O)CSCCCC(=O)N 62a_200012276598_100102525003 [0,1,0,0,0,0|2,0,1]=4 2833 B14R0.231 CCCCCC(=O)NCCCCC(=O)N 11a_100000696515_100000212188 [0,1,0,0,0,0|2,0,1]=4 2834 B14R0.231 CCCCCC(=O)NCCCCC(=O)N 1626a_100000696515_100000212188 [0,1,0,0,0,0|2,0,1]=4 2835 B14R0.231 CCCCCC(=O)NCCCCC(=O)N 240690a_100000696515_100000212188 [0,1,0,0,0,0|2,0,1]=4 2836 B14R0.231 CCCCCC(=O)NCCCCC(=O)N 527a_100000696515_100000212188 [0,1,0,0,0,0|2,0,1]=4 2837 B14R0.231 CCCCCC(C)NCCCCC(=O)N 270004a_100000696515_100000211708 [0,1,0,0,0,0|2,0,0]=3 2838 B14R0.231 CCCCCC(C)NCCCCC(=O)N 34a_100000696515_200011218191 [0,1,0,0,0,0|2,0,0]=3 2839 B14R0.231 CCCCCC(C)NCCCNC(=O)C 270004a_100000736810_100000211708 [0,1,0,0,0,0|3,0,0]=4 2840 B14R0.231 CCCCCC(C)NCCCNC(=O)C 34a_100000736810_200011218191 [0,1,0,0,0,0|3,0,0]=4 2841 B14R0.231 CCCCCC(C)NCCCSC(=O)C 2230a_100000211957_100000038929 [0,1,0,0,0,0|3,0,0]=4 2842 B14R0.231 CCCCCC(C)NCCOCC(=O)N 2230a_100000211957_100000076697 [0,1,0,0,0,0|3,0,0]=4 2843 B14R0.231 CCCCCC(C)NCCOCC(=O)O 269956a_100000700818_200011218191 [0,1,0,0,0,0|3,0,0]=4 2844 B14R0.231 CCCCCC(C)OCCCCC(=O)C 34a_100011215632_100009817362 [0,1,0,0,0,0|2,0,0]=3 2845 B14R0.231 CCCCCC(C)OCCCCC(=O)C 7a_100011215632_100000735457 [0,1,0,0,0,0|2,0,0]=3 2846 B14R0.231 CCCCCC(C)OCCCCC(=O)N 34a_100012022536_200011218191 [0,1,0,0,0,0|2,0,0]=3 2847 B14R0.231 CCCCCC(C)OCCCCC(=O)N 7a_100012022536_200011218191 [0,1,0,0,0,0|2,0,0]=3 2848 B14R0.231 CCCCCC(C)OCCCC[N+](=O)[O-] 34a_200015379883_200011218191 [0,1,0,0,0,0|3,0,0]=4 2849 B14R0.231 CCCCCC(C)OCCCC[N+](=O)[O-] 7a_200015379883_200011218191 [0,1,0,0,0,0|3,0,0]=4 2850 B14R0.231 CCCCCC(C)OCCCNC(=O)C 34a_100000752032_200011218191 [0,1,0,0,0,0|3,0,0]=4 2851 B14R0.231 CCCCCC(C)OCCCOC(=O)C 34a_100011215632_100000042594 [0,1,0,0,0,0|3,0,0]=4 2852 B14R0.231 CCCCCC(C)OCCCOC(=O)C 7a_100011215632_100000042594 [0,1,0,0,0,0|3,0,0]=4 2853 B14R0.231 CCCCCC(C)OCCCSC(=O)C 34a_100011215632_100000038929 [0,1,0,0,0,0|3,0,0]=4 2854 B14R0.231 CCCCCC(C)OCCCSC(=O)C 7a_100011215632_100000038929 [0,1,0,0,0,0|3,0,0]=4 2855 B14R0.231 CCCCCC(C)OCCOCC(=O)N 34a_100011215632_100000076697 [0,1,0,0,0,0|3,0,0]=4 2856 B14R0.231 CCCCCC(C)OCCOCC(=O)N 7a_100011215632_100000076697 [0,1,0,0,0,0|3,0,0]=4 2857 B14R0.231 CCCCCC(C)SCCCCC(=O)C 62a_100000735457_200011218191 [0,1,0,0,0,0|2,0,0]=3 2858 B14R0.231 CCCCCC(C)SCCCCC(=O)C 62a_200011218191_100000735457 [0,1,0,0,0,0|2,0,0]=3 2859 B14R0.231 CCCCCC(C)SCCCOC(=O)C 62a_100000042594_200011218191 [0,1,0,0,0,0|3,0,0]=4 2860 B14R0.231 CCCCCC(C)SCCCOC(=O)C 62a_200011218191_100000042594 [0,1,0,0,0,0|3,0,0]=4 2861 B14R0.231 CCCCCC(C)SCCCSC(=O)C 62a_100000038929_200011218191 [0,1,0,0,0,0|3,0,0]=4 2862 B14R0.231 CCCCCC(C)SCCCSC(=O)C 62a_200011218191_100000038929 [0,1,0,0,0,0|3,0,0]=4 2863 B14R0.231 CCCCCC(C)SCCOCC(=O)N 62a_100000076697_200011218191 [0,1,0,0,0,0|3,0,0]=4 2864 B14R0.231 CCCCCC(C)SCCOCC(=O)N 62a_200011218191_100000076697 [0,1,0,0,0,0|3,0,0]=4 2865 B14R0.231 CCCCCN(C)CCCCCC(=O)N 2230a_100000223495_100009817443 [0,1,0,0,0,0|2,0,0]=3 2866 B14R0.231 CCCCCN(C)CCCCCC(=O)N 269982a_100000223495_100009817443 [0,1,0,0,0,0|2,0,0]=3 2867 B14R0.231 CCCCCN(C)CCCCOC(=O)C 269982a_100000223495_100000033659 [0,1,0,0,0,0|3,0,0]=4 2868 B14R0.231 CCCCCN(C)CCCCSC(=O)C 2230a_100000223495_200010402107 [0,1,0,0,0,0|3,0,0]=4 2869 B14R0.231 CCCCCN(C)CCCCSC(=O)C 269982a_100000223495_200010402107 [0,1,0,0,0,0|3,0,0]=4 2870 B14R0.231 CCCOCC(=O)CCCCCC(=O)N 1458a_100000745993_100009817443 [0,1,0,0,0,0|2,0,1]=4 2871 B14R0.231 CCCSCC(=O)CCCCCC(=O)N 1458a_100000217233_100009817443 [0,1,0,0,0,0|2,0,1]=4 2872 B14R0.231 CCCSCC(C)NCCCCC(=O)N 270004a_100000696515_100011343953 [0,1,0,0,0,0|3,0,0]=4 2873 B14R0.231 CCOCCC(=O)CCCCCC(=O)N 1458a_100000749530_100009817443 [0,1,0,0,0,0|2,0,1]=4 2874 B14R0.231 CCOCCC(C)NCCCCC(=O)N 270004a_100000696515_200011216536 [0,1,0,0,0,0|3,0,0]=4 2875 B14R0.231 CCSCCC(=O)CCCCCC(=O)N 1458a_100000230768_100009817443 [0,1,0,0,0,0|2,0,1]=4 2876 B14R0.231 CN(CCCCO)CCCCCC(=O)N 2230a_100000717598_100009817443 [0,1,0,0,0,0|3,0,0]=4 2877 B14R0.231 CN(CCCCO)CCCCCC(=O)N 269982a_100000717598_100009817443 [0,1,0,0,0,0|3,0,0]=4 2878 B14R0.231 COCCCC(=O)CCCCCC(=O)N 1458a_100000741012_100009817443 [0,1,0,0,0,0|2,0,1]=4 2879 B14R0.231 COCCCC(C)OCCCCC(=O)C 34a_200011539412_100009817362 [0,1,0,0,0,0|3,0,0]=4 2880 B14R0.231 COCCCC(C)OCCCCC(=O)C 7a_200011539412_100000735457 [0,1,0,0,0,0|3,0,0]=4 2881 B14R0.231 COCCCN(C)CCCCCC(=O)N 2230a_100000224831_100009817443 [0,1,0,0,0,0|3,0,0]=4 2882 B14R0.231 COCCCN(C)CCCCCC(=O)N 269982a_100000224831_100009817443 [0,1,0,0,0,0|3,0,0]=4 2883 B14R0.231 CSCCCC(=O)CCCCCC(=O)N 1458a_100000173376_100009817443 [0,1,0,0,0,0|2,0,1]=4 2884 B14R0.231 CSCCCC(C)NCCCCC(=O)N 270004a_100000696515_100011399439 [0,1,0,0,0,0|3,0,0]=4 2885 B14R0.231 NC(=O)CCCCCC(=O)CCCCO 1458a_100000695505_100009817443 [0,1,0,0,0,0|2,0,1]=4 2886 B14R0.231 NCCCC[C@H](N)COCCCC(=O)N 34a_100016993712_100102525003 [0,1,0,0,0,0|3,0,0]=4 2887 B14R0.305 C=C(C)CCOCCCCCC(C)CC 7a_200000035636_100000730704 [0,1,0,0,0,0|3,0,0]=4 2888 B14R0.305 CC(=O)CCCCOCCC[C@@H](C)CN 34a_100160569302_100009817362 [0,1,0,0,0,0|3,0,0]=4 2889 B14R0.305 CC(CO)CCNCCCCCC(=O)N 2230a_106354213184_100009817443 [0,1,0,0,0,0|3,0,0]=4 2890 B14R0.305 CC(CO)CCNCCCCCC(=O)N 34a_106354213184_100009817443 [0,1,0,0,0,0|3,0,0]=4 2891 B14R0.305 CCC(C)CCCCCOCCC(=O)C 7a_200000035636_100000053229 [0,1,0,0,0,0|2,0,0]=3 2892 B14R0.305 CCC(C)CCCCCOCCC(=O)N 7a_200000035636_100000744528 [0,1,0,0,0,0|2,0,0]=3 2893 B14R0.305 CCC(C)CCCOCCCCC(=O)C 7a_100011216074_100000735457 [0,1,0,0,0,0|2,0,0]=3 2894 B14R0.305 CCC(C)CCCOCCCOC(=O)C 7a_100011216074_100000042594 [0,1,0,0,0,0|3,0,0]=4 2895 B14R0.305 CCC(C)CCCOCCCSC(=O)C 7a_100011216074_100000038929 [0,1,0,0,0,0|3,0,0]=4 2896 B14R0.305 CCC(C)CCCOCCOCC(=O)N 7a_100011216074_100000076697 [0,1,0,0,0,0|3,0,0]=4 2897 B14R0.305 CCC(C)CCNCCCCCC(=O)N 2230a_100020591266_100009817443 [0,1,0,0,0,0|2,0,0]=3 2898 B14R0.305 CCC(C)CCNCCCCSC(=O)C 2230a_100020591266_200010402107 [0,1,0,0,0,0|3,0,0]=4 2899 B14R0.305 CCC(C)CCOCCCCCC(=O)N 7a_100011215188_100009817443 [0,1,0,0,0,0|2,0,0]=3 2900 B14R0.305 CCC(C)CCOCCCCOC(=O)C 7a_100011215188_100000033659 [0,1,0,0,0,0|3,0,0]=4 2901 B14R0.305 CCC(C)CCOCCCCSC(=O)C 7a_100011215188_200010402107 [0,1,0,0,0,0|3,0,0]=4 2902 B14R0.305 CCC(C)CNCCCCCNC(=O)C 2230a_200012022750_100000748023 [0,1,0,0,0,0|3,0,0]=4 2903 B14R0.305 CCC(C)CNCCCCCNC(=O)C 270004a_200012022750_100000243153 [0,1,0,0,0,0|3,0,0]=4 2904 B14R0.305 CCC(C)CNCCCCCNC(=O)C 34a_200012022750_100000748023 [0,1,0,0,0,0|3,0,0]=4 2905 B14R0.305 CCC(C)CNCCCCCOC(=O)C 2230a_100020588543_100009813381 [0,1,0,0,0,0|3,0,0]=4 2906 B14R0.305 CCC(C)CSCCCCCOC(=O)C 62a_100000033007_100000748023 [0,1,0,0,0,0|3,0,0]=4 2907 B14R0.305 CCC(C)CSCCCCCOC(=O)C 62a_100000748023_100000033007 [0,1,0,0,0,0|3,0,0]=4 2908 B14R0.305 CCC(C)NCCCCCCNC(=O)C 2230a_200011996284_100000758301 [0,1,0,0,0,0|3,0,0]=4 2909 B14R0.305 CCC(C)NCCCCCCNC(=O)C 34a_200011996284_100011215416 [0,1,0,0,0,0|3,0,0]=4 2910 B14R0.305 CCC(O)CNCCCCCNC(=O)C 2230a_200012022750_100011218378 [0,1,0,0,0,0|3,0,0]=4 2911 B14R0.305 CCC(O)CNCCCCCNC(=O)C 34a_200012022750_100011218378 [0,1,0,0,0,0|3,0,0]=4 2912 B14R0.305 CCC(O)CNCCCCCOC(=O)C 2230a_100011218483_100009813381 [0,1,0,0,0,0|3,0,0]=4 2913 B14R0.305 CCC(O)CSCCCCCOC(=O)C 62a_100000033007_100011218378 [0,1,0,0,0,0|3,0,0]=4 2914 B14R0.305 CCC(O)CSCCCCCOC(=O)C 62a_100011218378_100000033007 [0,1,0,0,0,0|3,0,0]=4 2915 B14R0.305 CCN(C)CCCOCCCCC(=O)N 7a_100012022536_100015186262 [0,1,0,0,0,0|3,0,0]=4 2916 B14R0.305 CCN(C)CCCSCCCCC(=O)C 62a_100000735457_100015186262 [0,1,0,0,0,0|3,0,0]=4 2917 B14R0.305 CC[C@H](C)CNCCCCCNC(=O)C 2230a_200012022750_100009816398 [0,1,0,0,0,0|3,0,0]=4 2918 B14R0.305 CC[C@H](C)CNCCCCCNC(=O)C 34a_200012022750_100009816398 [0,1,0,0,0,0|3,0,0]=4 2919 B14R0.305 CC[C@H](C)COCCCCCOC(=O)C 7a_100009816381_100000033007 [0,1,0,0,0,0|3,0,0]=4 2920 B14R0.305 CC[C@H](C)CSCCCCCOC(=O)C 62a_100000033007_100009816398 [0,1,0,0,0,0|3,0,0]=4 2921 B14R0.305 CC[C@H](C)CSCCCCCOC(=O)C 62a_100009816398_100000033007 [0,1,0,0,0,0|3,0,0]=4 2922 B14R0.305 COC(=O)CCCCCCCCC(=O)C 1458a_100000036616_200000210301 [0,1,0,0,0,0|2,0,1]=4 2923 B14R0.305 COC(=O)CCCCCCCCC(=O)C 1458a_100000070787_100010282707 [0,1,0,0,0,0|2,0,1]=4 2924 B14R0.305 COC(=O)CCCCCCCCC(=O)[13CH3] 1458a_100000036616_200025704644 [0,1,0,0,0,0|2,0,1]=4 2925 B14R0.305 COC(C)CCOCCCCCC(=O)N 7a_100000764861_100009817443 [0,1,0,0,0,0|3,0,0]=4 2926 B14R0.337 C#CC(=O)CCCCCCCCCC=C 1458a_100000211873_100009814027 [0,1,0,0,0,0|1,0,2]=4 2927 B14R0.337 C#CC(=O)CCCCCCCCCCC 1458a_100000211873_100011215454 [0,1,0,0,0,0|1,0,0]=2 2928 B14R0.337 C#CC(=O)CCCCCCCCCCO 1458a_100000211873_100009813290 [0,1,0,0,0,0|2,0,0]=3 2929 B14R0.337 C=C(C#N)CNCCCCCCCCC 2230a_100000212291_100000694840 [0,1,0,0,0,0|3,0,0]=4 2930 B14R0.337 C=C(C#N)CNCCCCCCCCC 34a_100000212291_100000694840 [0,1,0,0,0,0|3,0,0]=4 2931 B14R0.337 C=C(C#N)COCCCCCCCCC 34a_100000210712_100000694840 [0,1,0,0,0,0|3,0,0]=4 2932 B14R0.337 C=CC(=O)CCCCCCCCCCC 1458a_100000185746_100011215454 [0,1,0,0,0,0|1,0,0]=2 2933 B14R0.337 C=CC(=O)CCCCCCCCCCO 1458a_100000185746_100009813290 [0,1,0,0,0,0|2,0,0]=3 2934 B14R0.337 C=CC(=O)NCCCCCCCCCC 1626a_100000684558_100000185746 [0,1,0,0,0,0|2,0,0]=3 2935 B14R0.337 C=CC(=O)NCCCCCCCCCC 240690a_100000684558_200121576911 [0,1,0,0,0,0|2,0,0]=3 2936 B14R0.337 C=CC(=O)NCCCCCCCCCO 240690a_100000078944_200121576911 [0,1,0,0,0,0|3,0,0]=4 2937 B14R0.337 C=CC(=O)NCCCCOCCCCC 34a_100014118770_100000718602 [0,1,0,0,0,0|3,0,0]=4 2938 B14R0.337 C=CC(=O)NCCNCCCCCCC 2230a_114873766552_100000210681 [0,1,0,0,0,0|3,0,0]=4 2939 B14R0.337 C=CC(=O)NCCOCCCCCCC 34a_100011304386_100000210614 [0,1,0,0,0,0|3,0,0]=4 2940 B14R0.337 C=CC(=O)OCCCCCCOCCC 34a_100000210258_100009894100 [0,1,0,0,0,0|3,0,0]=4 2941 B14R0.337 C=CC(=O)OCCCCCCSCCC 62a_100000210303_100009894100 [0,1,0,0,0,0|3,0,0]=4 2942 B14R0.337 C=CC(=O)OCCCCCCSCCC 62a_100009894100_100000210303 [0,1,0,0,0,0|3,0,0]=4 2943 B14R0.337 C=CC(=O)OCCCCCOCCCC 7a_200011023508_100000210211 [0,1,0,0,0,0|3,0,0]=4 2944 B14R0.337 C=CC(=O)OCCNCCCCCCC 2230a_100000229938_100009813456 [0,1,0,0,0,0|3,0,0]=4 2945 B14R0.337 C=CC(=O)OCCOCCCCCCC 34a_100000210272_100009813456 [0,1,0,0,0,0|3,0,0]=4 2946 B14R0.337 C=CC(=O)OCCOCCCCCCC 7a_100000210272_100009813456 [0,1,0,0,0,0|3,0,0]=4 2947 B14R0.337 C=CC(=O)OCCSCCCCCCC 62a_100000210614_100009813456 [0,1,0,0,0,0|3,0,0]=4 2948 B14R0.337 C=CC(=O)OCCSCCCCCCC 62a_100009813456_100000210316 [0,1,0,0,0,0|3,0,0]=4 2949 B14R0.337 C=CCCCCCCCCCC(=O)C=C 1458a_100000185746_100009814027 [0,1,0,0,0,0|1,0,2]=4 2950 B14R0.337 C=CCCCCCCCCCC(=O)CC 1458a_100000210414_100009814027 [0,1,0,0,0,0|1,0,2]=4 2951 B14R0.337 C=CCCCCCCCCCC(=O)CO 1458a_100000210174_100009814027 [0,1,0,0,0,0|1,0,2]=4 2952 B14R0.337 CCC(=O)CCCCCCCCCCO 1458a_100000210414_100009813290 [0,1,0,0,0,0|2,0,0]=3 2953 B14R0.337 CCC(=O)COCCCCCCCCBr 7a_100009813846_100000747405 [0,1,0,0,0,0|3,0,0]=4 2954 B14R0.337 CCC(=O)COCCCCCCCCCl 7a_100000033203_100000747405 [0,1,0,0,0,0|3,0,0]=4 2955 B14R0.337 CCC(=O)COCCCCCCCCO 34a_100000725409_100000033203 [0,1,0,0,0,0|3,0,0]=4 2956 B14R0.337 CCC(=O)CSCCCCCCCCO 62a_100000033203_100000747405 [0,1,0,0,0,0|3,0,0]=4 2957 B14R0.337 CCC(=O)CSCCCCCCCCO 62a_100000747405_100000033203 [0,1,0,0,0,0|3,0,0]=4 2958 B14R0.337 CCC(=O)NCCCCCCCCCO 240690a_100000078944_100000210414 [0,1,0,0,0,0|3,0,0]=4 2959 B14R0.337 CCCCCCCCCC=CC(=O)CC 1458a_200015352897_100000210202 [0,1,0,0,0,0|1,0,2]=4 2960 B14R0.337 CCCCCCCCCC=CC(=O)CF 1458a_200015352897_100015361967 [0,1,0,0,0,0|0,1,2]=4 2961 B14R0.337 CCCCCCCCCC=CC(=O)NC 11a_106832991635_200015352897 [0,1,0,0,0,0|1,0,2]=4 2962 B14R0.337 CCCCCCCCCC=CC(=O)NC 1626a_100102657272_200015352897 [0,1,0,0,0,0|1,0,2]=4 2963 B14R0.337 CCCCCCCCCC=CC(=O)NC 240690a_100102657272_200015352897 [0,1,0,0,0,0|1,0,2]=4 2964 B14R0.337 CCCCCCCCCCCC(=O)CC 1458a_100000210414_100011215454 [0,1,0,0,0,0|1,0,0]=2 2965 B14R0.337 CCCCCCCCCCCC(=O)CC 1458a_100000210736_100000210202 [0,1,0,0,0,0|1,0,0]=2 2966 B14R0.337 CCCCCCCCCCCC(=O)CF 1458a_100000210736_100015361967 [0,1,0,0,0,0|0,1,0]=2 2967 B14R0.337 CCCCCCCCCCCC(=O)CO 1458a_100000210174_100011215454 [0,1,0,0,0,0|1,0,0]=2 2968 B14R0.337 CCCCCCCCCCCC(=O)NC 11a_106832991635_100000210736 [0,1,0,0,0,0|1,0,0]=2 2969 B14R0.337 CCCCCCCCCCCC(=O)NC 1626a_100102657272_100000210736 [0,1,0,0,0,0|1,0,0]=2 2970 B14R0.337 CCCCCCCCCCCC(=O)NC 240690a_100102657272_100000210736 [0,1,0,0,0,0|1,0,0]=2 2971 B14R0.337 CCCCCCCCCCCC(C)NC 270004a_106832991635_100011216755 [0,1,0,0,0,0|2,0,1]=4 2972 B14R0.337 CCCCCCCCCCCC(C)OC 34a_100011217895_200000210301 [0,1,0,0,0,0|1,0,2]=4 2973 B14R0.337 CCCCCCCCCCCC(C)OC 7a_100011217895_200000210301 [0,1,0,0,0,0|1,0,2]=4 2974 B14R0.337 CCCCCCCCCCCC(C)O[13CH3] 34a_100011217895_200025704644 [0,1,0,0,0,0|1,0,2]=4 2975 B14R0.337 CCCCCCCCCCCC(C)O[13CH3] 7a_100011217895_200025704644 [0,1,0,0,0,0|1,0,2]=4 2976 B14R0.337 CCCCCCCCCCCN(C)CC 2230a_100000225621_100011215454 [0,1,0,0,0,0|3,0,0]=4 2977 B14R0.337 CCCCCCCCCCCN(C)CC 269982a_100000225621_100011215454 [0,1,0,0,0,0|3,0,0]=4 2978 B14R0.337 CCCCCCCCCCNC(=O)CC 11a_100000684558_100000210414 [0,1,0,0,0,0|2,0,0]=3 2979 B14R0.337 CCCCCCCCCCNC(=O)CC 1626a_100000684558_100000210414 [0,1,0,0,0,0|2,0,0]=3 2980 B14R0.337 CCCCCCCCCCNC(=O)CC 240690a_100000684558_100000210414 [0,1,0,0,0,0|2,0,0]=3 2981 B14R0.337 CCCCCCCCCCNC(=O)CC 527a_100000684558_100000210414 [0,1,0,0,0,0|2,0,0]=3 2982 B14R0.337 CCCCCCCCCCNC(=O)CO 240690a_100000684558_100000210174 [0,1,0,0,0,0|2,0,0]=3 2983 B14R0.337 CCCCCCCCCCNC(=O)CO 527a_100000684558_100000210174 [0,1,0,0,0,0|2,0,0]=3 2984 B14R0.337 CCCCCCCCCCNC(=O)NC 2708a_100000684558_106832991635 [0,1,0,0,0,0|2,0,0]=3 2985 B14R0.337 CCCCCCCCCCNC(=O)NC 2708a_100102657272_100000684558 [0,1,0,0,0,0|2,0,0]=3 2986 B14R0.337 CCCCCCCCCCNC(=O)NC 273464a_100000684558_100102657272 [0,1,0,0,0,0|2,0,0]=3 2987 B14R0.337 CCCCCCCCCCNC(=O)NC 273464a_100102657272_100000684558 [0,1,0,0,0,0|2,0,0]=3 2988 B14R0.337 CCCCCCCCCCNC(=O)NC 512a_100000684558_100102657272 [0,1,0,0,0,0|2,0,0]=3 2989 B14R0.337 CCCCCCCCCCNC(=O)NC 512a_106832991638_100000684558 [0,1,0,0,0,0|2,0,0]=3 2990 B14R0.337 CCCCCCCCCNCC(=O)NC 2230a_100000212291_100000183359 [0,1,0,0,0,0|2,0,0]=3 2991 B14R0.337 CCCCCCCCCNCC(=O)NC 2230a_100000693194_100011214924 [0,1,0,0,0,0|2,0,0]=3 2992 B14R0.337 CCCCCCCCCNCC(=O)NC 34a_100000212291_100000183359 [0,1,0,0,0,0|2,0,0]=3 2993 B14R0.337 CCCCCCCCCNCC(=O)OC 2230a_100000212291_100000747449 [0,1,0,0,0,0|2,0,0]=3 2994 B14R0.337 CCCCCCCCCNCC(=O)OC 34a_100000212291_100000747449 [0,1,0,0,0,0|2,0,0]=3 2995 B14R0.337 CCCCCCCCCOCC(=O)CC 34a_100000725409_100011214924 [0,1,0,0,0,0|2,0,0]=3 2996 B14R0.337 CCCCCCCCCOCC(=O)CC 7a_100000210712_100000747405 [0,1,0,0,0,0|2,0,0]=3 2997 B14R0.337 CCCCCCCCCOCC(=O)NC 34a_100000210712_100000183359 [0,1,0,0,0,0|2,0,0]=3 2998 B14R0.337 CCCCCCCCCOCC(=O)NC 34a_100000750040_100011214924 [0,1,0,0,0,0|2,0,0]=3 2999 B14R0.337 CCCCCCCCCOCC(=O)NC 7a_100000210712_100000183359 [0,1,0,0,0,0|2,0,0]=3 3000 B14R0.337 CCCCCCCCCOCC(=O)OC 34a_100000210712_100000747449 [0,1,0,0,0,0|2,0,0]=3 3001 B14R0.337 CCCCCCCCCOCC(=O)OC 7a_100000210712_100000747449 [0,1,0,0,0,0|2,0,0]=3 3002 B14R0.337 CCCCCCCCCOCC(Cl)CCl 34a_100000033668_100011214924 [0,1,0,0,0,0|2,0,1]=4 3003 B14R0.337 CCCCCCCCCSCC(=O)CC 62a_100000747405_100000210670 [0,1,0,0,0,0|2,0,0]=3 3004 B14R0.337 CCCCCCCCCSCC(=O)NC 62a_100000183359_100000210670 [0,1,0,0,0,0|2,0,0]=3 3005 B14R0.337 CCCCCCCCCSCC(=O)OC 62a_100000747449_100000210670 [0,1,0,0,0,0|2,0,0]=3 3006 B14R0.337 CCCCCCCCNCCC(=O)NC 2230a_100000229939_100000737683 [0,1,0,0,0,0|2,0,0]=3 3007 B14R0.337 CCCCCCCCNCCC(=O)NC 2230a_100000738227_100000210759 [0,1,0,0,0,0|2,0,0]=3 3008 B14R0.337 CCCCCCCCNCCC(=O)NC 34a_100000229939_100012179268 [0,1,0,0,0,0|2,0,0]=3 3009 B14R0.337 CCCCCCCCNCCC(=O)NC 34a_100000738227_100000210759 [0,1,0,0,0,0|2,0,0]=3 3010 B14R0.337 CCCCCCCCNCCC(=O)OC 2230a_100000229939_100000204255 [0,1,0,0,0,0|2,0,0]=3 3011 B14R0.337 CCCCCCCCNCCC(=O)OC 34a_100000229939_100000742370 [0,1,0,0,0,0|2,0,0]=3 3012 B14R0.337 CCCCCCCCOCCC(=NO)N 34a_100000749954_100000210759 [0,1,0,0,0,0|2,0,1]=4 3013 B14R0.337 CCCCCCCCOCCC(=O)NC 34a_100000210232_100012179268 [0,1,0,0,0,0|2,0,0]=3 3014 B14R0.337 CCCCCCCCOCCC(=O)NC 34a_100000754576_100000210759 [0,1,0,0,0,0|2,0,0]=3 3015 B14R0.337 CCCCCCCCOCCC(=O)NC 7a_100000210232_100000737683 [0,1,0,0,0,0|2,0,0]=3 3016 B14R0.337 CCCCCCCCOCCC(=O)OC 34a_100000210232_100000742370 [0,1,0,0,0,0|2,0,0]=3 3017 B14R0.337 CCCCCCCCOCCC(=O)OC 7a_100000210232_100000204255 [0,1,0,0,0,0|2,0,0]=3 3018 B14R0.337 CCCCCCCCSCCC(=O)NC 62a_100000210759_100000737683 [0,1,0,0,0,0|2,0,0]=3 3019 B14R0.337 CCCCCCCCSCCC(=O)NC 62a_100000737683_100000210317 [0,1,0,0,0,0|2,0,0]=3 3020 B14R0.337 CCCCCCCCSCCC(=O)OC 62a_100000204255_100000210317 [0,1,0,0,0,0|2,0,0]=3 3021 B14R0.337 CCCCCCCCSCCC(=O)OC 62a_100000210759_100000204255 [0,1,0,0,0,0|2,0,0]=3 3022 B14R0.337 CCCCCCCCSCOC(=O)OC 62a_100000210759_100000139417 [0,1,0,0,0,0|3,0,0]=4 3023 B14R0.337 CCCCCCCNCCCC(=O)NC 2230a_100000229938_100000741757 [0,1,0,0,0,0|2,0,0]=3 3024 B14R0.337 CCCCCCCNCCCC(=O)NC 2230a_100000740002_100000210681 [0,1,0,0,0,0|2,0,0]=3 3025 B14R0.337 CCCCCCCNCCCC(=O)NC 34a_100000740002_100000210614 [0,1,0,0,0,0|2,0,0]=3 3026 B14R0.337 CCCCCCCNCCCC(=O)OC 2230a_100000229938_100011218270 [0,1,0,0,0,0|2,0,0]=3 3027 B14R0.337 CCCCCCCNCCNC(=O)CC 34a_100132302217_100000210614 [0,1,0,0,0,0|3,0,0]=4 3028 B14R0.337 CCCCCCCNCCNC(=O)NC 34a_100015205895_100000210614 [0,1,0,0,0,0|3,0,0]=4 3029 B14R0.337 CCCCCCCOCCCC(=O)NC 34a_100000210272_100000741757 [0,1,0,0,0,0|2,0,0]=3 3030 B14R0.337 CCCCCCCOCCCC(=O)NC 7a_100000210272_100000741757 [0,1,0,0,0,0|2,0,0]=3 3031 B14R0.337 CCCCCCCOCCCC(=O)NN 34a_100000211488_100000210614 [0,1,0,0,0,0|2,0,0]=3 3032 B14R0.337 CCCCCCCOCCCC(=O)OC 34a_100000210272_100000742333 [0,1,0,0,0,0|2,0,0]=3 3033 B14R0.337 CCCCCCCOCCCC(=O)OC 7a_100000210272_100011218270 [0,1,0,0,0,0|2,0,0]=3 3034 B14R0.337 CCCCCCCOCCNC(=O)CC 34a_200000158885_100000210614 [0,1,0,0,0,0|3,0,0]=4 3035 B14R0.337 CCCCCCCOCCNC(=O)CC 7a_200000158885_100000210614 [0,1,0,0,0,0|3,0,0]=4 3036 B14R0.337 CCCCCCCOCCNC(=O)OC 34a_100000757965_100000210614 [0,1,0,0,0,0|3,0,0]=4 3037 B14R0.337 CCCCCCCOCCOC(=O)CC 7a_200000031056_100000210614 [0,1,0,0,0,0|3,0,0]=4 3038 B14R0.337 CCCCCCCOCCOC(=O)NC 34a_100000210272_200011997002 [0,1,0,0,0,0|3,0,0]=4 3039 B14R0.337 CCCCCCCOCCOC(=O)NC 7a_100000210272_200011997002 [0,1,0,0,0,0|3,0,0]=4 3040 B14R0.337 CCCCCCCOCCOC(=O)OC 34a_100010262106_100000210614 [0,1,0,0,0,0|3,0,0]=4 3041 B14R0.337 CCCCCCCSCCCC(=O)NC 62a_100000210614_100000741757 [0,1,0,0,0,0|2,0,0]=3 3042 B14R0.337 CCCCCCCSCCCC(=O)NC 62a_100000741757_100000210316 [0,1,0,0,0,0|2,0,0]=3 3043 B14R0.337 CCCCCCCSCCCC(=O)OC 62a_100000210614_100011218270 [0,1,0,0,0,0|2,0,0]=3 3044 B14R0.337 CCCCCCCSCCCC(=O)OC 62a_100011218270_100000210316 [0,1,0,0,0,0|2,0,0]=3 3045 B14R0.337 CCCCCCCSCCOC(=O)NC 62a_100000210614_200011997002 [0,1,0,0,0,0|3,0,0]=4 3046 B14R0.337 CCCCCCCSCCOC(=O)NC 62a_200011997002_100000210316 [0,1,0,0,0,0|3,0,0]=4 3047 B14R0.337 CCCCCCNCCCCC(=O)OC 2230a_100000210581_100000204269 [0,1,0,0,0,0|2,0,0]=3 3048 B14R0.337 CCCCCCNCCOCC(=O)OC 2230a_100000210581_100000090808 [0,1,0,0,0,0|3,0,0]=4 3049 B14R0.337 CCCCCCOCCCCC(=O)OC 34a_100000059025_100000210314 [0,1,0,0,0,0|2,0,0]=3 3050 B14R0.337 CCCCCCOCCCCC(=O)OC 34a_100000210259_100000204269 [0,1,0,0,0,0|2,0,0]=3 3051 B14R0.337 CCCCCCOCCCCC(=O)OC 7a_100000059025_100000210314 [0,1,0,0,0,0|2,0,0]=3 3052 B14R0.337 CCCCCCOCCCCC(=O)OC 7a_100000210259_100000204269 [0,1,0,0,0,0|2,0,0]=3 3053 B14R0.337 CCCCCCOCCOCC(=O)CC 7a_100000691444_100000747405 [0,1,0,0,0,0|3,0,0]=4 3054 B14R0.337 CCCCCCOCCOCC(=O)NC 34a_100000691444_100000183359 [0,1,0,0,0,0|3,0,0]=4 3055 B14R0.337 CCCCCCOCCOCC(=O)NC 7a_100000691444_100000183359 [0,1,0,0,0,0|3,0,0]=4 3056 B14R0.337 CCCCCCOCCOCC(=O)OC 34a_100000210259_100000090808 [0,1,0,0,0,0|3,0,0]=4 3057 B14R0.337 CCCCCCOCCOCC(=O)OC 34a_100000691444_100000747449 [0,1,0,0,0,0|3,0,0]=4 3058 B14R0.337 CCCCCCOCCOCC(=O)OC 7a_100000210259_100000090808 [0,1,0,0,0,0|3,0,0]=4 3059 B14R0.337 CCCCCCOCCOCC(=O)OC 7a_100000691444_100000747449 [0,1,0,0,0,0|3,0,0]=4 3060 B14R0.337 CCCCCCSCCCCC(=O)OC 62a_100000204269_100000210757 [0,1,0,0,0,0|2,0,0]=3 3061 B14R0.337 CCCCCCSCCCCC(=O)OC 62a_100000210314_100000204269 [0,1,0,0,0,0|2,0,0]=3 3062 B14R0.337 CCCCCCSCCOCC(=O)OC 62a_100000090808_100000210757 [0,1,0,0,0,0|3,0,0]=4 3063 B14R0.337 CCCCCCSCCOCC(=O)OC 62a_100000210314_100000090808 [0,1,0,0,0,0|3,0,0]=4 3064 B14R0.337 CCCCCNCCCCCC(=O)OC 2230a_100000209983_100009816466 [0,1,0,0,0,0|2,0,0]=3 3065 B14R0.337 CCCCCNCCOCCC(=O)NC 34a_100000224656_100012179268 [0,1,0,0,0,0|3,0,0]=4 3066 B14R0.337 CCCCCNCCOCCC(=O)OC 34a_100000224656_100000742370 [0,1,0,0,0,0|3,0,0]=4 3067 B14R0.337 CCCCCOCCCCCC(=O)OC 34a_100000074720_100000718602 [0,1,0,0,0,0|2,0,0]=3 3068 B14R0.337 CCCCCOCCCCCC(=O)OC 34a_100000210253_100009816466 [0,1,0,0,0,0|2,0,0]=3 3069 B14R0.337 CCCCCOCCCCCC(=O)OC 7a_100000074720_100000210326 [0,1,0,0,0,0|2,0,0]=3 3070 B14R0.337 CCCCCOCCCCCC(=O)OC 7a_100000210253_100009816466 [0,1,0,0,0,0|2,0,0]=3 3071 B14R0.337 CCCCCOCCOCCC(=O)NC 34a_100011215259_100012179268 [0,1,0,0,0,0|3,0,0]=4 3072 B14R0.337 CCCCCOCCOCCC(=O)NC 7a_100011215259_100000737683 [0,1,0,0,0,0|3,0,0]=4 3073 B14R0.337 CCCCCOCCOCCC(=O)OC 34a_100011215259_100000742370 [0,1,0,0,0,0|3,0,0]=4 3074 B14R0.337 CCCCCOCCOCCC(=O)OC 7a_100011215259_100000204255 [0,1,0,0,0,0|3,0,0]=4 3075 B14R0.337 CCCCCSCCCCCC(=O)OC 62a_100000210326_100009816466 [0,1,0,0,0,0|2,0,0]=3 3076 B14R0.337 CCCCCSCCCCCC(=O)OC 62a_100009816466_100000210326 [0,1,0,0,0,0|2,0,0]=3 3077 B14R0.337 CCCCNCCCCCCC(=O)OC 2230a_100000102301_100009815986 [0,1,0,0,0,0|2,0,0]=3 3078 B14R0.337 CCCCNCCCCCCC(=O)OC 7a_106832991798_100009815986 [0,1,0,0,0,0|2,0,0]=3 3079 B14R0.337 CCCCNCCCCOCC(=O)NC 34a_200011216965_100000183359 [0,1,0,0,0,0|3,0,0]=4 3080 B14R0.337 CCCCNCCCCOCC(=O)OC 34a_200011216965_100000747449 [0,1,0,0,0,0|3,0,0]=4 3081 B14R0.337 CCCCOCCCCCCC(=O)OC 34a_100000210227_100009815986 [0,1,0,0,0,0|2,0,0]=3 3082 B14R0.337 CCCCOCCCCCCC(=O)OC 34a_100009863599_100000210210 [0,1,0,0,0,0|2,0,0]=3 3083 B14R0.337 CCCCOCCCCCCC(=O)OC 7a_100000210227_100009815986 [0,1,0,0,0,0|2,0,0]=3 3084 B14R0.337 CCCCOCCCCCCC(=O)OC 7a_100009863599_100000210211 [0,1,0,0,0,0|2,0,0]=3 3085 B14R0.337 CCCCOCCCCOCC(=O)CC 7a_200000760531_100000747405 [0,1,0,0,0,0|3,0,0]=4 3086 B14R0.337 CCCCOCCCCOCC(=O)NC 34a_200000760531_100000183359 [0,1,0,0,0,0|3,0,0]=4 3087 B14R0.337 CCCCOCCCCOCC(=O)NC 7a_200000760531_100000183359 [0,1,0,0,0,0|3,0,0]=4 3088 B14R0.337 CCCCOCCCCOCC(=O)OC 34a_200000760531_100000747449 [0,1,0,0,0,0|3,0,0]=4 3089 B14R0.337 CCCCOCCCCOCC(=O)OC 7a_200000760531_100000747449 [0,1,0,0,0,0|3,0,0]=4 3090 B14R0.337 CCCCOCCCNCCC(=O)NC 2230a_200000211371_100000737683 [0,1,0,0,0,0|3,0,0]=4 3091 B14R0.337 CCCCOCCCNCCC(=O)NC 34a_200000211371_100012179268 [0,1,0,0,0,0|3,0,0]=4 3092 B14R0.337 CCCCOCCCNCCC(=O)OC 2230a_200000211371_100000204255 [0,1,0,0,0,0|3,0,0]=4 3093 B14R0.337 CCCCOCCCNCCC(=O)OC 34a_200000211371_100000742370 [0,1,0,0,0,0|3,0,0]=4 3094 B14R0.337 CCCCOCCCOCCC(=O)NC 34a_200011215613_100012179268 [0,1,0,0,0,0|3,0,0]=4 3095 B14R0.337 CCCCOCCCOCCC(=O)NC 7a_200011215613_100000737683 [0,1,0,0,0,0|3,0,0]=4 3096 B14R0.337 CCCCOCCCOCCC(=O)OC 34a_200011215613_100000742370 [0,1,0,0,0,0|3,0,0]=4 3097 B14R0.337 CCCCOCCCOCCC(=O)OC 7a_200011215613_100000204255 [0,1,0,0,0,0|3,0,0]=4 3098 B14R0.337 CCCCOCCNCCCC(=O)NC 2230a_100000740002_100000743108 [0,1,0,0,0,0|3,0,0]=4 3099 B14R0.337 CCCCOCCNCCCC(=O)NC 34a_100000740002_100000743108 [0,1,0,0,0,0|3,0,0]=4 3100 B14R0.337 CCCCOCCOCCCC(=O)NC 34a_100000210238_100000741757 [0,1,0,0,0,0|3,0,0]=4 3101 B14R0.337 CCCCOCCOCCCC(=O)NC 7a_100000210238_100000741757 [0,1,0,0,0,0|3,0,0]=4 3102 B14R0.337 CCCCOCCOCCCC(=O)NN 34a_100000211488_100000743108 [0,1,0,0,0,0|3,0,0]=4 3103 B14R0.337 CCCCOCCOCCCC(=O)OC 34a_100000210238_100000742333 [0,1,0,0,0,0|3,0,0]=4 3104 B14R0.337 CCCCOCCOCCCC(=O)OC 7a_100000210238_100011218270 [0,1,0,0,0,0|3,0,0]=4 3105 B14R0.337 CCCCOCCSCCCC(=O)NC 62a_100000741757_100000743108 [0,1,0,0,0,0|3,0,0]=4 3106 B14R0.337 CCCCOCCSCCCC(=O)NC 62a_100000743108_100000741757 [0,1,0,0,0,0|3,0,0]=4 3107 B14R0.337 CCCCOCCSCCCC(=O)OC 62a_100000743108_100011218270 [0,1,0,0,0,0|3,0,0]=4 3108 B14R0.337 CCCCOCCSCCCC(=O)OC 62a_100011218270_100000743108 [0,1,0,0,0,0|3,0,0]=4 3109 B14R0.337 CCCCOCOCCCCC(=O)OC 34a_100000059025_100011995733 [0,1,0,0,0,0|3,0,0]=4 3110 B14R0.337 CCCCOCSCCCCC(=O)OC 62a_100000204269_100011995733 [0,1,0,0,0,0|3,0,0]=4 3111 B14R0.337 CCCCOCSCCCCC(=O)OC 62a_100011995733_100000204269 [0,1,0,0,0,0|3,0,0]=4 3112 B14R0.337 CCCCSCCCCCCC(=O)OC 62a_100000210211_100009815986 [0,1,0,0,0,0|2,0,0]=3 3113 B14R0.337 CCCCSCCCCCCC(=O)OC 62a_100009815986_100000210210 [0,1,0,0,0,0|2,0,0]=3 3114 B14R0.337 CCCCSCCNCCCC(=O)NC 2230a_100025743550_100000741757 [0,1,0,0,0,0|3,0,0]=4 3115 B14R0.337 CCCCSCCNCCCC(=O)OC 2230a_100025743550_100011218270 [0,1,0,0,0,0|3,0,0]=4 3116 B14R0.337 CCCCSCCOCCCC(=O)NC 34a_200000230436_100000741757 [0,1,0,0,0,0|3,0,0]=4 3117 B14R0.337 CCCCSCCOCCCC(=O)NC 7a_200000230436_100000741757 [0,1,0,0,0,0|3,0,0]=4 3118 B14R0.337 CCCCSCCOCCCC(=O)OC 34a_200000230436_100000742333 [0,1,0,0,0,0|3,0,0]=4 3119 B14R0.337 CCCCSCCOCCCC(=O)OC 7a_200000230436_100011218270 [0,1,0,0,0,0|3,0,0]=4 3120 B14R0.337 CCCOCCCCCCCC(=O)OC 34a_100000210258_100010004213 [0,1,0,0,0,0|2,0,0]=3 3121 B14R0.337 CCCOCCCCCCCC(=O)OC 34a_100011022521_100000210303 [0,1,0,0,0,0|2,0,0]=3 3122 B14R0.337 CCCOCCCCCCCC(=O)OC 7a_100011022521_100000210303 [0,1,0,0,0,0|2,0,0]=3 3123 B14R0.337 CCCOCCCNCCCC(=O)NC 2230a_100011217757_100000741757 [0,1,0,0,0,0|3,0,0]=4 3124 B14R0.337 CCCOCCCNCCCC(=O)NC 34a_100011217757_100000741757 [0,1,0,0,0,0|3,0,0]=4 3125 B14R0.337 CCCOCCCNCCCC(=O)OC 2230a_100011217757_100011218270 [0,1,0,0,0,0|3,0,0]=4 3126 B14R0.337 CCCOCCCNCCCC(=O)OC 34a_100011217757_100000742333 [0,1,0,0,0,0|3,0,0]=4 3127 B14R0.337 CCCOCCNCCCCC(=O)OC 2230a_100161115042_100000204269 [0,1,0,0,0,0|3,0,0]=4 3128 B14R0.337 CCCOCCNCCCCC(=O)OC 34a_100161115042_100000204269 [0,1,0,0,0,0|3,0,0]=4 3129 B14R0.337 CCCOCCOCCCCC(=O)OC 34a_100000059025_100011215938 [0,1,0,0,0,0|3,0,0]=4 3130 B14R0.337 CCCOCCOCCCCC(=O)OC 34a_100000752267_100000204269 [0,1,0,0,0,0|3,0,0]=4 3131 B14R0.337 CCCOCCOCCCCC(=O)OC 7a_100000059025_100011215938 [0,1,0,0,0,0|3,0,0]=4 3132 B14R0.337 CCCOCCOCCCCC(=O)OC 7a_100000752267_100000204269 [0,1,0,0,0,0|3,0,0]=4 3133 B14R0.337 CCCOCCSCCCCC(=O)OC 62a_100000204269_100011215938 [0,1,0,0,0,0|3,0,0]=4 3134 B14R0.337 CCCOCCSCCCCC(=O)OC 62a_100011215938_100000204269 [0,1,0,0,0,0|3,0,0]=4 3135 B14R0.337 CCCSCCCCCCCC(=O)OC 62a_100000210303_100010004213 [0,1,0,0,0,0|2,0,0]=3 3136 B14R0.337 CCCSCCCCCCCC(=O)OC 62a_100010004213_100000210303 [0,1,0,0,0,0|2,0,0]=3 3137 B14R0.337 CCCSCCNCCCCC(=O)OC 2230a_100020603323_100000204269 [0,1,0,0,0,0|3,0,0]=4 3138 B14R0.337 CCCSCCOCCCCC(=O)OC 34a_200000230433_100000204269 [0,1,0,0,0,0|3,0,0]=4 3139 B14R0.337 CCCSCCOCCCCC(=O)OC 7a_200000230433_100000204269 [0,1,0,0,0,0|3,0,0]=4 3140 B14R0.337 CCNCCCCCCCCC(=O)OC 2230a_100015525214_100010282707 [0,1,0,0,0,0|2,0,0]=3 3141 B14R0.337 CCOCCCCCCCCC(=O)OC 34a_100000035544_100000210202 [0,1,0,0,0,0|2,0,0]=3 3142 B14R0.337 CCOCCCCCCCCC(=O)OC 34a_100121572206_100010282707 [0,1,0,0,0,0|2,0,0]=3 3143 B14R0.337 CCOCCCCCCCCC(=O)OC 7a_100000035544_100000210202 [0,1,0,0,0,0|2,0,0]=3 3144 B14R0.337 CCOCCCNCCCCC(=O)OC 2230a_100000210961_100000204269 [0,1,0,0,0,0|3,0,0]=4 3145 B14R0.337 CCOCCCNCCCCC(=O)OC 34a_100000210961_100000204269 [0,1,0,0,0,0|3,0,0]=4 3146 B14R0.337 CCOCCCOCCCCC(=O)OC 34a_100000059025_100012232248 [0,1,0,0,0,0|3,0,0]=4 3147 B14R0.337 CCOCCCOCCCCC(=O)OC 34a_100000757476_100000204269 [0,1,0,0,0,0|3,0,0]=4 3148 B14R0.337 CCOCCCOCCCCC(=O)OC 7a_100000059025_100012232248 [0,1,0,0,0,0|3,0,0]=4 3149 B14R0.337 CCOCCCOCCCCC(=O)OC 7a_100000757476_100000204269 [0,1,0,0,0,0|3,0,0]=4 3150 B14R0.337 CCOCCCSCCCCC(=O)OC 62a_100000204269_100012232248 [0,1,0,0,0,0|3,0,0]=4 3151 B14R0.337 CCOCCCSCCCCC(=O)OC 62a_100012232248_100000204269 [0,1,0,0,0,0|3,0,0]=4 3152 B14R0.337 CCOCCNCCCCCC(=O)OC 2230a_102516460346_100009816466 [0,1,0,0,0,0|3,0,0]=4 3153 B14R0.337 CCOCCNCCCCCC(=O)OC 34a_102516460346_100009816466 [0,1,0,0,0,0|3,0,0]=4 3154 B14R0.337 CCOCCOCCCCCC(=O)OC 34a_100000074720_100000210147 [0,1,0,0,0,0|3,0,0]=4 3155 B14R0.337 CCOCCOCCCCCC(=O)OC 34a_100000210136_100009816466 [0,1,0,0,0,0|3,0,0]=4 3156 B14R0.337 CCOCCOCCCCCC(=O)OC 7a_100000074720_100011215890 [0,1,0,0,0,0|3,0,0]=4 3157 B14R0.337 CCOCCOCCCCCC(=O)OC 7a_100000210136_100009816466 [0,1,0,0,0,0|3,0,0]=4 3158 B14R0.337 CCOCCSCCCCCC(=O)OC 62a_100000210147_100009816466 [0,1,0,0,0,0|3,0,0]=4 3159 B14R0.337 CCOCCSCCCCCC(=O)OC 62a_100009816466_100011215890 [0,1,0,0,0,0|3,0,0]=4 3160 B14R0.337 CCOCSCCCCCCC(=O)OC 62a_100000739092_100009815986 [0,1,0,0,0,0|3,0,0]=4 3161 B14R0.337 CCOCSCCCCCCC(=O)OC 62a_100009815986_100000739092 [0,1,0,0,0,0|3,0,0]=4 3162 B14R0.337 CCSCCCCCCCCC(=O)OC 62a_100000210202_100010282707 [0,1,0,0,0,0|2,0,0]=3 3163 B14R0.337 CCSCCCCCCCCC(=O)OC 62a_100010282707_100000210202 [0,1,0,0,0,0|2,0,0]=3 3164 B14R0.337 CCSCCCOCCCCC(=O)OC 34a_100011216438_100000204269 [0,1,0,0,0,0|3,0,0]=4 3165 B14R0.337 CCSCCCOCCCCC(=O)OC 7a_100011216438_100000204269 [0,1,0,0,0,0|3,0,0]=4 3166 B14R0.337 CCSCCNCCCCCC(=O)OC 2230a_100000106463_100009816466 [0,1,0,0,0,0|3,0,0]=4 3167 B14R0.337 CCSCCOCCCCCC(=O)OC 34a_100000074720_100000757381 [0,1,0,0,0,0|3,0,0]=4 3168 B14R0.337 CCSCCOCCCCCC(=O)OC 34a_100000212035_100009816466 [0,1,0,0,0,0|3,0,0]=4 3169 B14R0.337 CCSCCOCCCCCC(=O)OC 7a_100000074720_100000757381 [0,1,0,0,0,0|3,0,0]=4 3170 B14R0.337 CCSCCOCCCCCC(=O)OC 7a_100000212035_100009816466 [0,1,0,0,0,0|3,0,0]=4 3171 B14R0.337 CCSCCSCCCCCC(=O)OC 62a_100000757381_100009816466 [0,1,0,0,0,0|3,0,0]=4 3172 B14R0.337 CCSCCSCCCCCC(=O)OC 62a_100009816466_100000757381 [0,1,0,0,0,0|3,0,0]=4 3173 B14R0.337 CNC(=O)CCCCCCCCCCO 240690a_100102657272_200000016029 [0,1,0,0,0,0|2,0,0]=3 3174 B14R0.337 CNC(=O)CCCNCCCCCCF 2230a_100000740002_100015922095 [0,1,0,0,0,0|3,0,0]=4 3175 B14R0.337 CNC(=O)CCCNCCCCCCF 34a_100000740002_100015922095 [0,1,0,0,0,0|3,0,0]=4 3176 B14R0.337 CNC(=O)CCCNCCCCCCO 2230a_100000686447_100000741757 [0,1,0,0,0,0|3,0,0]=4 3177 B14R0.337 CNC(=O)CCCNCCCCCCO 2230a_100000740002_100000766143 [0,1,0,0,0,0|3,0,0]=4 3178 B14R0.337 CNC(=O)CCCNCCCCCCO 34a_100000686447_100000741757 [0,1,0,0,0,0|3,0,0]=4 3179 B14R0.337 CNC(=O)CCCNCCCCCCO 34a_100000740002_100000766143 [0,1,0,0,0,0|3,0,0]=4 3180 B14R0.337 CNC(=O)CCCNCCCCCOC 2230a_100000747528_100000741757 [0,1,0,0,0,0|3,0,0]=4 3181 B14R0.337 CNC(=O)CCCNCCCCCOC 34a_100000747528_100000741757 [0,1,0,0,0,0|3,0,0]=4 3182 B14R0.337 CNC(=O)CCCOCCCCCCBr 34a_100011215345_100000741757 [0,1,0,0,0,0|3,0,0]=4 3183 B14R0.337 CNC(=O)CCCOCCCCCCBr 7a_100011215345_100000741757 [0,1,0,0,0,0|3,0,0]=4 3184 B14R0.337 CNC(=O)CCCOCCCCCCCl 34a_100000766143_100000741757 [0,1,0,0,0,0|3,0,0]=4 3185 B14R0.337 CNC(=O)CCCOCCCCCCCl 7a_100000766143_100000741757 [0,1,0,0,0,0|3,0,0]=4 3186 B14R0.337 CNC(=O)CCCOCCCCCCF 34a_100000732779_100000741757 [0,1,0,0,0,0|3,0,0]=4 3187 B14R0.337 CNC(=O)CCCOCCCCCCF 7a_100000732779_100000741757 [0,1,0,0,0,0|3,0,0]=4 3188 B14R0.337 CNC(=O)CCCOCCCCCCN 34a_100000686447_100000741757 [0,1,0,0,0,0|3,0,0]=4 3189 B14R0.337 CNC(=O)CCCSCCCCCCF 62a_100000741757_100015922095 [0,1,0,0,0,0|3,0,0]=4 3190 B14R0.337 CNC(=O)CCCSCCCCCCF 62a_100015922095_100000741757 [0,1,0,0,0,0|3,0,0]=4 3191 B14R0.337 CNC(=O)CCCSCCCCCCO 62a_100000741757_100000766143 [0,1,0,0,0,0|3,0,0]=4 3192 B14R0.337 CNC(=O)CCCSCCCCCCO 62a_100000766143_100000741757 [0,1,0,0,0,0|3,0,0]=4 3193 B14R0.337 CNC(=O)CCNCCCCCCCO 2230a_100000738227_100000760002 [0,1,0,0,0,0|3,0,0]=4 3194 B14R0.337 CNC(=O)CCNCCCCCCCO 2230a_100011996573_100000737683 [0,1,0,0,0,0|3,0,0]=4 3195 B14R0.337 CNC(=O)CCNCCCCCCCO 34a_100000738227_100000760002 [0,1,0,0,0,0|3,0,0]=4 3196 B14R0.337 CNC(=O)CCNCCCCCCCO 34a_100011996573_100012179268 [0,1,0,0,0,0|3,0,0]=4 3197 B14R0.337 CNC(=O)CCNCCCCCCOC 2230a_100000738227_100011998445 [0,1,0,0,0,0|3,0,0]=4 3198 B14R0.337 CNC(=O)CCNCCCCCCOC 34a_100000738227_100011998445 [0,1,0,0,0,0|3,0,0]=4 3199 B14R0.337 CNC(=O)CCOCCCCCCCBr 34a_100000760002_100012179268 [0,1,0,0,0,0|3,0,0]=4 3200 B14R0.337 CNC(=O)CCOCCCCCCCBr 7a_100000760002_100000737683 [0,1,0,0,0,0|3,0,0]=4 3201 B14R0.337 CNC(=O)CCOCCCCCCCN 34a_100011996573_100012179268 [0,1,0,0,0,0|3,0,0]=4 3202 B14R0.337 CNC(=O)CCOCCCCCCCO 34a_100000754576_100000760002 [0,1,0,0,0,0|3,0,0]=4 3203 B14R0.337 CNC(=O)CCOCCCCCCOC 34a_100000754576_100011998445 [0,1,0,0,0,0|3,0,0]=4 3204 B14R0.337 CNC(=O)CCOCCCCCCOC 34a_200012092642_100012179268 [0,1,0,0,0,0|3,0,0]=4 3205 B14R0.337 CNC(=O)CCOCCCCCCOC 7a_200012092642_100000737683 [0,1,0,0,0,0|3,0,0]=4 3206 B14R0.337 CNC(=O)CCSCCCCCCCO 62a_100000737683_100000760002 [0,1,0,0,0,0|3,0,0]=4 3207 B14R0.337 CNC(=O)CCSCCCCCCCO 62a_100000760002_100000737683 [0,1,0,0,0,0|3,0,0]=4 3208 B14R0.337 CNC(=O)CCSCCCCCCOC 62a_100000737683_100011998445 [0,1,0,0,0,0|3,0,0]=4 3209 B14R0.337 CNC(=O)CCSCCCCCCOC 62a_100011998445_100000737683 [0,1,0,0,0,0|3,0,0]=4 3210 B14R0.337 CNC(=O)CNCCCCCCCCO 2230a_100000693194_100000033203 [0,1,0,0,0,0|3,0,0]=4 3211 B14R0.337 CNC(=O)CNCCCCCCCCO 2230a_102515433106_100000183359 [0,1,0,0,0,0|3,0,0]=4 3212 B14R0.337 CNC(=O)CNCCCCCCCCO 34a_102515433106_100000183359 [0,1,0,0,0,0|3,0,0]=4 3213 B14R0.337 CNC(=O)COCCCCCCCCBr 34a_100009813846_100000183359 [0,1,0,0,0,0|3,0,0]=4 3214 B14R0.337 CNC(=O)COCCCCCCCCBr 7a_100009813846_100000183359 [0,1,0,0,0,0|3,0,0]=4 3215 B14R0.337 CNC(=O)COCCCCCCCCCl 34a_100000033203_100000183359 [0,1,0,0,0,0|3,0,0]=4 3216 B14R0.337 CNC(=O)COCCCCCCCCCl 7a_100000033203_100000183359 [0,1,0,0,0,0|3,0,0]=4 3217 B14R0.337 CNC(=O)COCCCCCCCCN 34a_102515433106_100000183359 [0,1,0,0,0,0|3,0,0]=4 3218 B14R0.337 CNC(=O)COCCCCCCCCO 34a_100000750040_100000033203 [0,1,0,0,0,0|3,0,0]=4 3219 B14R0.337 CNC(=O)CSCCCCCCCCO 62a_100000033203_100000183359 [0,1,0,0,0,0|3,0,0]=4 3220 B14R0.337 CNC(=O)CSCCCCCCCCO 62a_100000183359_100000033203 [0,1,0,0,0,0|3,0,0]=4 3221 B14R0.337 CNC(=O)NCCCCCCCCCO 2708a_100000078944_106832991635 [0,1,0,0,0,0|3,0,0]=4 3222 B14R0.337 CNC(=O)NCCCCCCCCCO 2708a_100102657272_100000078944 [0,1,0,0,0,0|3,0,0]=4 3223 B14R0.337 CNC(=O)NCCCCCCCCCO 273464a_100000078944_100102657272 [0,1,0,0,0,0|3,0,0]=4 3224 B14R0.337 CNC(=O)NCCCCCCCCCO 273464a_100102657272_100000078944 [0,1,0,0,0,0|3,0,0]=4 3225 B14R0.337 CNC(=O)NCCCCCCCCCO 512a_100000078944_100102657272 [0,1,0,0,0,0|3,0,0]=4 3226 B14R0.337 CNC(=O)NCCCCCCCCCO 512a_106832991638_100000078944 [0,1,0,0,0,0|3,0,0]=4 3227 B14R0.337 CNCCCCCCCCCC(=O)OC 2230a_106832991635_100009813843 [0,1,0,0,0,0|2,0,0]=3 3228 B14R0.337 CNCCCCCCCCCC(=O)OC 34a_100102657272_100009813843 [0,1,0,0,0,0|2,0,0]=3 3229 B14R0.337 CNCCCCCCCCCC(=O)OC 7a_106832991635_100009813843 [0,1,0,0,0,0|2,0,0]=3 3230 B14R0.337 CNCCCCCOCCCC(=O)NC 34a_100000722520_100000741757 [0,1,0,0,0,0|3,0,0]=4 3231 B14R0.337 CNCCCCCOCCCC(=O)OC 34a_100000722520_100000742333 [0,1,0,0,0,0|3,0,0]=4 3232 B14R0.337 CNCCCOCCCCCC(=O)OC 34a_100000213112_100009816466 [0,1,0,0,0,0|3,0,0]=4 3233 B14R0.337 COC(=O)CCCCCCCCCSC 62a_200000210301_100009813843 [0,1,0,0,0,0|2,0,0]=3 3234 B14R0.337 COC(=O)CCCCCCCCCS[13CH3] 62a_200025704644_100009813843 [0,1,0,0,0,0|2,0,0]=3 3235 B14R0.337 COC(=O)CCCCCCCCOCF 34a_100000035544_100015361967 [0,1,0,0,0,0|3,0,0]=4 3236 B14R0.337 COC(=O)CCCCCCCCOCF 7a_100000035544_100015361967 [0,1,0,0,0,0|3,0,0]=4 3237 B14R0.337 COC(=O)CCCCCCCCSCF 62a_100010282707_100015361967 [0,1,0,0,0,0|3,0,0]=4 3238 B14R0.337 COC(=O)CCCCCCCCSCF 62a_100015361967_100010282707 [0,1,0,0,0,0|3,0,0]=4 3239 B14R0.337 COC(=O)CCCCCCCNCCF 34a_100000724931_100010004213 [0,1,0,0,0,0|3,0,0]=4 3240 B14R0.337 COC(=O)CCCCCCCNCCO 2230a_100016997473_100010004213 [0,1,0,0,0,0|3,0,0]=4 3241 B14R0.337 COC(=O)CCCCCCCNCCO 34a_100016990907_100010004213 [0,1,0,0,0,0|3,0,0]=4 3242 B14R0.337 COC(=O)CCCCCCCOCCBr 34a_100000211926_100010004213 [0,1,0,0,0,0|3,0,0]=4 3243 B14R0.337 COC(=O)CCCCCCCOCCF 34a_100011022521_100011217306 [0,1,0,0,0,0|3,0,0]=4 3244 B14R0.337 COC(=O)CCCCCCCOCCF 7a_100011022521_100011217306 [0,1,0,0,0,0|3,0,0]=4 3245 B14R0.337 COC(=O)CCCCCCCOCCN 34a_100000210304_100010004213 [0,1,0,0,0,0|3,0,0]=4 3246 B14R0.337 COC(=O)CCCCCCCOCCO 34a_100011022521_100000211926 [0,1,0,0,0,0|3,0,0]=4 3247 B14R0.337 COC(=O)CCCCCCCOCCO 7a_100011022521_100000211926 [0,1,0,0,0,0|3,0,0]=4 3248 B14R0.337 COC(=O)CCCCCCCOCSC 34a_100011022521_100011218213 [0,1,0,0,0,0|3,0,0]=4 3249 B14R0.337 COC(=O)CCCCCCCSCCF 62a_100010004213_100011217306 [0,1,0,0,0,0|3,0,0]=4 3250 B14R0.337 COC(=O)CCCCCCCSCCF 62a_100011217306_100010004213 [0,1,0,0,0,0|3,0,0]=4 3251 B14R0.337 COC(=O)CCCCCCCSCCO 62a_100000211926_100010004213 [0,1,0,0,0,0|3,0,0]=4 3252 B14R0.337 COC(=O)CCCCCCCSCCO 62a_100010004213_100000211926 [0,1,0,0,0,0|3,0,0]=4 3253 B14R0.337 COC(=O)CCCCCCCSCSC 62a_100010004213_100011218213 [0,1,0,0,0,0|3,0,0]=4 3254 B14R0.337 COC(=O)CCCCCCCSCSC 62a_100011218213_100010004213 [0,1,0,0,0,0|3,0,0]=4 3255 B14R0.337 COC(=O)CCCCCCNCCCF 2230a_100015189416_100009815986 [0,1,0,0,0,0|3,0,0]=4 3256 B14R0.337 COC(=O)CCCCCCNCCCF 34a_100015189416_100009815986 [0,1,0,0,0,0|3,0,0]=4 3257 B14R0.337 COC(=O)CCCCCCNCCSC 2230a_100020590264_100009815986 [0,1,0,0,0,0|3,0,0]=4 3258 B14R0.337 COC(=O)CCCCCCOCCCBr 34a_100011217188_100009815986 [0,1,0,0,0,0|3,0,0]=4 3259 B14R0.337 COC(=O)CCCCCCOCCCCl 34a_100000230001_100009815986 [0,1,0,0,0,0|3,0,0]=4 3260 B14R0.337 COC(=O)CCCCCCOCCCF 34a_100000759539_100009815986 [0,1,0,0,0,0|3,0,0]=4 3261 B14R0.337 COC(=O)CCCCCCOCCCF 34a_100009863599_100011934791 [0,1,0,0,0,0|3,0,0]=4 3262 B14R0.337 COC(=O)CCCCCCOCCCF 7a_100009863599_100011934791 [0,1,0,0,0,0|3,0,0]=4 3263 B14R0.337 COC(=O)CCCCCCOCCCN 34a_100000182051_100009815986 [0,1,0,0,0,0|3,0,0]=4 3264 B14R0.337 COC(=O)CCCCCCOCCCO 34a_100009863599_100000230001 [0,1,0,0,0,0|3,0,0]=4 3265 B14R0.337 COC(=O)CCCCCCOCCCO 7a_100009863599_100011215043 [0,1,0,0,0,0|3,0,0]=4 3266 B14R0.337 COC(=O)CCCCCCOCCSC 34a_100000230434_100009815986 [0,1,0,0,0,0|3,0,0]=4 3267 B14R0.337 COC(=O)CCCCCCOCCSC 34a_100009863599_100000212216 [0,1,0,0,0,0|3,0,0]=4 3268 B14R0.337 COC(=O)CCCCCCOCCSC 7a_100000230434_100009815986 [0,1,0,0,0,0|3,0,0]=4 3269 B14R0.337 COC(=O)CCCCCCOCCSC 7a_100009863599_100000212216 [0,1,0,0,0,0|3,0,0]=4 3270 B14R0.337 COC(=O)CCCCCCSCCCF 62a_100009815986_100011934791 [0,1,0,0,0,0|3,0,0]=4 3271 B14R0.337 COC(=O)CCCCCCSCCCF 62a_100011934791_100009815986 [0,1,0,0,0,0|3,0,0]=4 3272 B14R0.337 COC(=O)CCCCCCSCCCO 62a_100009815986_100011215043 [0,1,0,0,0,0|3,0,0]=4 3273 B14R0.337 COC(=O)CCCCCCSCCCO 62a_100011215043_100009815986 [0,1,0,0,0,0|3,0,0]=4 3274 B14R0.337 COC(=O)CCCCCCSCCSC 62a_100000212216_100009815986 [0,1,0,0,0,0|3,0,0]=4 3275 B14R0.337 COC(=O)CCCCCCSCCSC 62a_100009815986_100000751147 [0,1,0,0,0,0|3,0,0]=4 3276 B14R0.337 COC(=O)CCCCCNCCCCO 2230a_100000750430_100009816466 [0,1,0,0,0,0|3,0,0]=4 3277 B14R0.337 COC(=O)CCCCCNCCCCO 34a_100000750430_100009816466 [0,1,0,0,0,0|3,0,0]=4 3278 B14R0.337 COC(=O)CCCCCNCCCSC 2230a_100000749238_100009816466 [0,1,0,0,0,0|3,0,0]=4 3279 B14R0.337 COC(=O)CCCCCOCCCCBr 34a_100011216708_100009816466 [0,1,0,0,0,0|3,0,0]=4 3280 B14R0.337 COC(=O)CCCCCOCCCCCl 34a_100000210776_100009816466 [0,1,0,0,0,0|3,0,0]=4 3281 B14R0.337 COC(=O)CCCCCOCCCCCl 7a_100000210776_100009816466 [0,1,0,0,0,0|3,0,0]=4 3282 B14R0.337 COC(=O)CCCCCOCCCCF 34a_100000074720_100000729493 [0,1,0,0,0,0|3,0,0]=4 3283 B14R0.337 COC(=O)CCCCCOCCCCF 34a_100011995726_100009816466 [0,1,0,0,0,0|3,0,0]=4 3284 B14R0.337 COC(=O)CCCCCOCCCCF 7a_100000074720_100000729493 [0,1,0,0,0,0|3,0,0]=4 3285 B14R0.337 COC(=O)CCCCCOCCCCF 7a_100011995726_100009816466 [0,1,0,0,0,0|3,0,0]=4 3286 B14R0.337 COC(=O)CCCCCOCCCCI 34a_200012148704_100009816466 [0,1,0,0,0,0|3,0,0]=4 3287 B14R0.337 COC(=O)CCCCCOCCCCN 34a_100000750430_100009816466 [0,1,0,0,0,0|3,0,0]=4 3288 B14R0.337 COC(=O)CCCCCOCCCCO 34a_100000074720_100011216708 [0,1,0,0,0,0|3,0,0]=4 3289 B14R0.337 COC(=O)CCCCCOCCCCO 7a_100000074720_100000210776 [0,1,0,0,0,0|3,0,0]=4 3290 B14R0.337 COC(=O)CCCCCOCCCSC 34a_100000690336_100009816466 [0,1,0,0,0,0|3,0,0]=4 3291 B14R0.337 COC(=O)CCCCCOCCCSC 7a_100000690336_100009816466 [0,1,0,0,0,0|3,0,0]=4 3292 B14R0.337 COC(=O)CCCCCSCCCCF 62a_100000729493_100009816466 [0,1,0,0,0,0|3,0,0]=4 3293 B14R0.337 COC(=O)CCCCCSCCCCF 62a_100009816466_100000729493 [0,1,0,0,0,0|3,0,0]=4 3294 B14R0.337 COC(=O)CCCCCSCCCCO 62a_100000210776_100009816466 [0,1,0,0,0,0|3,0,0]=4 3295 B14R0.337 COC(=O)CCCCCSCCCCO 62a_100009816466_100000210776 [0,1,0,0,0,0|3,0,0]=4 3296 B14R0.337 COC(=O)CCCCNCCCCCO 2230a_100000762737_100000204269 [0,1,0,0,0,0|3,0,0]=4 3297 B14R0.337 COC(=O)CCCCNCCCCCO 34a_100000762737_100000204269 [0,1,0,0,0,0|3,0,0]=4 3298 B14R0.337 COC(=O)CCCCOCCCCCBr 34a_100000746331_100000204269 [0,1,0,0,0,0|3,0,0]=4 3299 B14R0.337 COC(=O)CCCCOCCCCCBr 7a_100000746331_100000204269 [0,1,0,0,0,0|3,0,0]=4 3300 B14R0.337 COC(=O)CCCCOCCCCCCl 34a_100000746330_100000204269 [0,1,0,0,0,0|3,0,0]=4 3301 B14R0.337 COC(=O)CCCCOCCCCCCl 7a_100000746330_100000204269 [0,1,0,0,0,0|3,0,0]=4 3302 B14R0.337 COC(=O)CCCCOCCCCCF 34a_100000059025_100000729378 [0,1,0,0,0,0|3,0,0]=4 3303 B14R0.337 COC(=O)CCCCOCCCCCF 7a_100000059025_100000729378 [0,1,0,0,0,0|3,0,0]=4 3304 B14R0.337 COC(=O)CCCCOCCCCCI 34a_200012148887_100000204269 [0,1,0,0,0,0|3,0,0]=4 3305 B14R0.337 COC(=O)CCCCOCCCCCI 7a_200012148887_100000204269 [0,1,0,0,0,0|3,0,0]=4 3306 B14R0.337 COC(=O)CCCCOCCCCCN 34a_100000762737_100000204269 [0,1,0,0,0,0|3,0,0]=4 3307 B14R0.337 COC(=O)CCCCOCCCCCO 34a_100000059025_100000746330 [0,1,0,0,0,0|3,0,0]=4 3308 B14R0.337 COC(=O)CCCCOCCCCCO 7a_100000059025_100000746330 [0,1,0,0,0,0|3,0,0]=4 3309 B14R0.337 COC(=O)CCCCOCCCCSC 34a_100011217163_100000204269 [0,1,0,0,0,0|3,0,0]=4 3310 B14R0.337 COC(=O)CCCCOCCCCSC 7a_100011217163_100000204269 [0,1,0,0,0,0|3,0,0]=4 3311 B14R0.337 COC(=O)CCCCSCCCCCF 62a_100000204269_100000729378 [0,1,0,0,0,0|3,0,0]=4 3312 B14R0.337 COC(=O)CCCCSCCCCCF 62a_100000729378_100000204269 [0,1,0,0,0,0|3,0,0]=4 3313 B14R0.337 COC(=O)CCCCSCCCCCO 62a_100000204269_100000746330 [0,1,0,0,0,0|3,0,0]=4 3314 B14R0.337 COC(=O)CCCCSCCCCCO 62a_100000746330_100000204269 [0,1,0,0,0,0|3,0,0]=4 3315 B14R0.337 COC(=O)CCCNCCCCCCO 2230a_100000686447_100011218270 [0,1,0,0,0,0|3,0,0]=4 3316 B14R0.337 COC(=O)CCCNCCCCCCO 34a_100000686447_100000742333 [0,1,0,0,0,0|3,0,0]=4 3317 B14R0.337 COC(=O)CCCOCCCCCCBr 34a_100011215345_100000742333 [0,1,0,0,0,0|3,0,0]=4 3318 B14R0.337 COC(=O)CCCOCCCCCCBr 7a_100011215345_100011218270 [0,1,0,0,0,0|3,0,0]=4 3319 B14R0.337 COC(=O)CCCOCCCCCCCl 34a_100000766143_100000742333 [0,1,0,0,0,0|3,0,0]=4 3320 B14R0.337 COC(=O)CCCOCCCCCCCl 7a_100000766143_100011218270 [0,1,0,0,0,0|3,0,0]=4 3321 B14R0.337 COC(=O)CCCOCCCCCCF 34a_100000732779_100000742333 [0,1,0,0,0,0|3,0,0]=4 3322 B14R0.337 COC(=O)CCCOCCCCCCF 7a_100000732779_100011218270 [0,1,0,0,0,0|3,0,0]=4 3323 B14R0.337 COC(=O)CCCOCCCCCCN 34a_100000686447_100000742333 [0,1,0,0,0,0|3,0,0]=4 3324 B14R0.337 COC(=O)CCCSCCCCCCF 62a_100011218270_100015922095 [0,1,0,0,0,0|3,0,0]=4 3325 B14R0.337 COC(=O)CCCSCCCCCCF 62a_100015922095_100011218270 [0,1,0,0,0,0|3,0,0]=4 3326 B14R0.337 COC(=O)CCCSCCCCCCO 62a_100000766143_100011218270 [0,1,0,0,0,0|3,0,0]=4 3327 B14R0.337 COC(=O)CCCSCCCCCCO 62a_100011218270_100000766143 [0,1,0,0,0,0|3,0,0]=4 3328 B14R0.337 COC(=O)CCNCCCCCCCO 2230a_100011996573_100000204255 [0,1,0,0,0,0|3,0,0]=4 3329 B14R0.337 COC(=O)CCNCCCCCCCO 34a_100011996573_100000742370 [0,1,0,0,0,0|3,0,0]=4 3330 B14R0.337 COC(=O)CCOCCCCCCCBr 34a_100000760002_100000742370 [0,1,0,0,0,0|3,0,0]=4 3331 B14R0.337 COC(=O)CCOCCCCCCCBr 7a_100000760002_100000204255 [0,1,0,0,0,0|3,0,0]=4 3332 B14R0.337 COC(=O)CCOCCCCCCCN 34a_100011996573_100000742370 [0,1,0,0,0,0|3,0,0]=4 3333 B14R0.337 COC(=O)CCSCCCCCCCO 62a_100000204255_100000760002 [0,1,0,0,0,0|3,0,0]=4 3334 B14R0.337 COC(=O)CCSCCCCCCCO 62a_100000760002_100000204255 [0,1,0,0,0,0|3,0,0]=4 3335 B14R0.337 COC(=O)CNCCCCCCCCO 2230a_102515433106_100000747449 [0,1,0,0,0,0|3,0,0]=4 3336 B14R0.337 COC(=O)CNCCCCCCCCO 34a_102515433106_100000747449 [0,1,0,0,0,0|3,0,0]=4 3337 B14R0.337 COC(=O)COCCCCCCCCBr 34a_100009813846_100000747449 [0,1,0,0,0,0|3,0,0]=4 3338 B14R0.337 COC(=O)COCCCCCCCCBr 7a_100009813846_100000747449 [0,1,0,0,0,0|3,0,0]=4 3339 B14R0.337 COC(=O)COCCCCCCCCCl 34a_100000033203_100000747449 [0,1,0,0,0,0|3,0,0]=4 3340 B14R0.337 COC(=O)COCCCCCCCCCl 7a_100000033203_100000747449 [0,1,0,0,0,0|3,0,0]=4 3341 B14R0.337 COC(=O)COCCCCCCCCN 34a_102515433106_100000747449 [0,1,0,0,0,0|3,0,0]=4 3342 B14R0.337 COC(=O)CSCCCCCCCCO 62a_100000033203_100000747449 [0,1,0,0,0,0|3,0,0]=4 3343 B14R0.337 COC(=O)CSCCCCCCCCO 62a_100000747449_100000033203 [0,1,0,0,0,0|3,0,0]=4 3344 B14R0.337 COCCCCCCCCCC(=O)OC 34a_100138415774_100009813843 [0,1,0,0,0,0|2,0,0]=3 3345 B14R0.337 COCCCCCCOCCC(=O)OC 34a_200012092642_100000742370 [0,1,0,0,0,0|3,0,0]=4 3346 B14R0.337 COCCCCCCOCCC(=O)OC 7a_200012092642_100000204255 [0,1,0,0,0,0|3,0,0]=4 3347 B14R0.337 COCCCCCCSCCC(=O)OC 62a_100000204255_100011998445 [0,1,0,0,0,0|3,0,0]=4 3348 B14R0.337 COCCCCCCSCCC(=O)OC 62a_100011998445_100000204255 [0,1,0,0,0,0|3,0,0]=4 3349 B14R0.337 COCCCCCNCCCC(=O)OC 2230a_100000747528_100011218270 [0,1,0,0,0,0|3,0,0]=4 3350 B14R0.337 COCCCCCNCCCC(=O)OC 34a_100000747528_100000742333 [0,1,0,0,0,0|3,0,0]=4 3351 B14R0.337 COCCCCOCCCCC(=O)OC 34a_100000059025_100000755781 [0,1,0,0,0,0|3,0,0]=4 3352 B14R0.337 COCCCCOCCCCC(=O)OC 34a_100000740925_100000204269 [0,1,0,0,0,0|3,0,0]=4 3353 B14R0.337 COCCCCOCCCCC(=O)OC 7a_100000059025_100000730899 [0,1,0,0,0,0|3,0,0]=4 3354 B14R0.337 COCCCCSCCCCC(=O)OC 62a_100000204269_100000730899 [0,1,0,0,0,0|3,0,0]=4 3355 B14R0.337 COCCCCSCCCCC(=O)OC 62a_100000730899_100000204269 [0,1,0,0,0,0|3,0,0]=4 3356 B14R0.337 COCCCNCCCCCC(=O)OC 34a_100150723488_100009816466 [0,1,0,0,0,0|3,0,0]=4 3357 B14R0.337 COCCCOCCCCCC(=O)OC 34a_100000074720_100000740836 [0,1,0,0,0,0|3,0,0]=4 3358 B14R0.337 COCCCOCCCCCC(=O)OC 34a_100000740835_100009816466 [0,1,0,0,0,0|3,0,0]=4 3359 B14R0.337 COCCCOCCCCCC(=O)OC 7a_100000074720_100000740836 [0,1,0,0,0,0|3,0,0]=4 3360 B14R0.337 COCCCSCCCCCC(=O)OC 62a_100000709357_100009816466 [0,1,0,0,0,0|3,0,0]=4 3361 B14R0.337 COCCCSCCCCCC(=O)OC 62a_100009816466_100000709357 [0,1,0,0,0,0|3,0,0]=4 3362 B14R0.337 COCCNCCCCCCC(=O)OC 2230a_100000209980_100009815986 [0,1,0,0,0,0|3,0,0]=4 3363 B14R0.337 COCCOCCCCCCC(=O)OC 34a_100000210237_100009815986 [0,1,0,0,0,0|3,0,0]=4 3364 B14R0.337 COCCOCCCCCCC(=O)OC 34a_100009863599_100011201679 [0,1,0,0,0,0|3,0,0]=4 3365 B14R0.337 COCCOCCCCCCC(=O)OC 7a_100009863599_100000233755 [0,1,0,0,0,0|3,0,0]=4 3366 B14R0.337 COCCSCCCCCCC(=O)OC 62a_100000233755_100009815986 [0,1,0,0,0,0|3,0,0]=4 3367 B14R0.337 COCCSCCCCCCC(=O)OC 62a_100009815986_100000233755 [0,1,0,0,0,0|3,0,0]=4 3368 B14R0.337 COCSCCCCCCCC(=O)OC 62a_100000766300_100010004213 [0,1,0,0,0,0|3,0,0]=4 3369 B14R0.337 COCSCCCCCCCC(=O)OC 62a_100010004213_100000766300 [0,1,0,0,0,0|3,0,0]=4 3370 B14R0.337 NNC(=O)CCCOCCCCCCF 34a_100000211488_100015922095 [0,1,0,0,0,0|3,0,0]=4 3371 B14R0.337 NNC(=O)CCCOCCCCCCO 34a_100000211488_100000766143 [0,1,0,0,0,0|3,0,0]=4 3372 B14R0.337 O=C(CO)CCCCCCCCCCO 1458a_100000210174_100009813290 [0,1,0,0,0,0|2,0,0]=3 3373 B14R0.337 O=C(CO)NCCCCCCCCCO 240690a_100000078944_100000210174 [0,1,0,0,0,0|3,0,0]=4 3374 B14R0.340 C=C(C)C(=O)CCCCCCCCCC 1458a_100000185857_100000210319 [0,1,0,0,0,0|2,0,1]=4 3375 B14R0.340 C=C(C)C(C)NCCCCCCCCC 269862a_100000212291_100011216138 [0,1,0,0,0,0|3,0,0]=4 3376 B14R0.340 C=C(Cl)C(=O)NCCCCCCCCC 11a_100000212291_100000039160 [0,1,0,0,0,0|2,0,1]=4 3377 B14R0.340 C=C(Cl)C(=O)NCCCCCCCCC 1626a_100000212291_100000039160 [0,1,0,0,0,0|2,0,1]=4 3378 B14R0.340 CC(=O)C(C)COCCCCCCCO 34a_100000032740_100000760002 [0,1,0,0,0,0|3,0,0]=4 3379 B14R0.340 CC(=O)C(C)COCCCCCCCO 7a_100000032740_100000760002 [0,1,0,0,0,0|3,0,0]=4 3380 B14R0.340 CC(=O)C(C)NCCCCCCCCO 2230a_102515433106_100009814033 [0,1,0,0,0,0|3,0,0]=4 3381 B14R0.340 CC(=O)C(C)OCCCCCCCCBr 7a_100009813846_100000179758 [0,1,0,0,0,0|3,0,0]=4 3382 B14R0.340 CC(=O)C(C)OCCCCCCCCCl 7a_100000033203_100000179758 [0,1,0,0,0,0|3,0,0]=4 3383 B14R0.340 CC(=O)C(C)OCCCCCCCCO 34a_100000212229_100000033203 [0,1,0,0,0,0|3,0,0]=4 3384 B14R0.340 CC(=O)C(C)SCCCCCCCCO 62a_100000033203_100009814033 [0,1,0,0,0,0|3,0,0]=4 3385 B14R0.340 CC(=O)C(C)SCCCCCCCCO 62a_100009814033_100000033203 [0,1,0,0,0,0|3,0,0]=4 3386 B14R0.340 CC(CNCCCCCCCO)C(=O)O 269956a_100000749485_100000760002 [0,1,0,0,0,0|3,0,0]=4 3387 B14R0.340 CC(NCCCCCCCCO)C(=O)N 2230a_102515433106_100000702099 [0,1,0,0,0,0|3,0,0]=4 3388 B14R0.340 CC(NCCCCCCCCO)C(=O)N 34a_102515433106_100000702099 [0,1,0,0,0,0|3,0,0]=4 3389 B14R0.340 CC(OCCCCCCCCBr)C(=O)N 34a_100009813846_100000702099 [0,1,0,0,0,0|3,0,0]=4 3390 B14R0.340 CC(OCCCCCCCCBr)C(=O)N 7a_100009813846_100000702099 [0,1,0,0,0,0|3,0,0]=4 3391 B14R0.340 CC(OCCCCCCCCCl)C(=O)N 34a_100000033203_100000702099 [0,1,0,0,0,0|3,0,0]=4 3392 B14R0.340 CC(OCCCCCCCCCl)C(=O)N 7a_100000033203_100000702099 [0,1,0,0,0,0|3,0,0]=4 3393 B14R0.340 CC(OCCCCCCCCN)C(=O)N 34a_102515433106_100000702099 [0,1,0,0,0,0|3,0,0]=4 3394 B14R0.340 CC(SCCCCCCCCO)C(=O)N 62a_100000033203_100000702099 [0,1,0,0,0,0|3,0,0]=4 3395 B14R0.340 CC(SCCCCCCCCO)C(=O)N 62a_100000702099_100000033203 [0,1,0,0,0,0|3,0,0]=4 3396 B14R0.340 CCCCCCCCCCC(C)N(C)C 270004a_100102631434_200011219864 [0,1,0,0,0,0|3,0,0]=4 3397 B14R0.340 CCCCCCCCCCN(C)C(=O)C 11a_100000207566_100015343762 [0,1,0,0,0,0|2,0,0]=3 3398 B14R0.340 CCCCCCCCCCN(C)C(=O)C 1626a_100000207566_100015343762 [0,1,0,0,0,0|2,0,0]=3 3399 B14R0.340 CCCCCCCCCCN(C)C(=O)C 240690a_100000207566_100015343762 [0,1,0,0,0,0|2,0,0]=3 3400 B14R0.340 CCCCCCCCCCN(C)C(=O)C 527a_100000207566_100103153847 [0,1,0,0,0,0|2,0,0]=3 3401 B14R0.340 CCCCCCCCCNC(=O)C(=O)N 240690a_100000212291_100011215815 [0,1,0,0,0,0|2,0,1]=4 3402 B14R0.340 CCCCCCCCCNC(C)C(=O)C 2230a_100000212291_100009814033 [0,1,0,0,0,0|2,0,0]=3 3403 B14R0.340 CCCCCCCCCNC(C)C(=O)N 2230a_100000212291_100000702099 [0,1,0,0,0,0|2,0,0]=3 3404 B14R0.340 CCCCCCCCCNC(C)C(=O)N 34a_100000212291_100000702099 [0,1,0,0,0,0|2,0,0]=3 3405 B14R0.340 CCCCCCCCCNC(F)C(=O)N 2230a_100000212291_100009813875 [0,1,0,0,0,0|2,0,0]=3 3406 B14R0.340 CCCCCCCCCNC(F)C(=O)N 34a_100000212291_100009813875 [0,1,0,0,0,0|2,0,0]=3 3407 B14R0.340 CCCCCCCCCNC(F)C(=O)[O-] 34a_100000212291_100020610796 [0,1,0,0,0,0|2,0,0]=3 3408 B14R0.340 CCCCCCCCCN[C@@H](C)C(=O)O 269956a_100000743915_100000210670 [0,1,0,0,0,0|2,0,0]=3 3409 B14R0.340 CCCCCCCCCN[C@H](C)C(=O)N 2230a_100000119354_100011214924 [0,1,0,0,0,0|2,0,0]=3 3410 B14R0.340 CCCCCCCCCN[C@H](C)C(=O)N 34a_100000119354_100011214924 [0,1,0,0,0,0|2,0,0]=3 3411 B14R0.340 CCCCCCCCCOC(C)C(=O)C 34a_100000212229_100011214924 [0,1,0,0,0,0|2,0,0]=3 3412 B14R0.340 CCCCCCCCCOC(C)C(=O)C 7a_100000210712_100000179758 [0,1,0,0,0,0|2,0,0]=3 3413 B14R0.340 CCCCCCCCCOC(C)C(=O)N 34a_100000210712_100000702099 [0,1,0,0,0,0|2,0,0]=3 3414 B14R0.340 CCCCCCCCCOC(C)C(=O)N 7a_100000210712_100000702099 [0,1,0,0,0,0|2,0,0]=3 3415 B14R0.340 CCCCCCCCCOC(F)C(=O)N 34a_100000210712_100009813875 [0,1,0,0,0,0|2,0,0]=3 3416 B14R0.340 CCCCCCCCCOC(F)C(=O)N 7a_100000210712_100009813875 [0,1,0,0,0,0|2,0,0]=3 3417 B14R0.340 CCCCCCCCCOC(F)C(=O)[O-] 34a_100000210712_100020610796 [0,1,0,0,0,0|2,0,0]=3 3418 B14R0.340 CCCCCCCCCO[C@@H](C)C(=O)[O-] 7a_217856618621_100000210328 [0,1,0,0,0,0|2,0,0]=3 3419 B14R0.340 CCCCCCCCCO[C@H](C)C(=O)N 34a_100000731257_100011214924 [0,1,0,0,0,0|2,0,0]=3 3420 B14R0.340 CCCCCCCCCO[C@H](C)C(=O)N 7a_100000731257_100000210328 [0,1,0,0,0,0|2,0,0]=3 3421 B14R0.340 CCCCCCCCCSC(C)C(=O)C 62a_100009814033_100000210670 [0,1,0,0,0,0|2,0,0]=3 3422 B14R0.340 CCCCCCCCCSC(C)C(=O)N 62a_100000702099_100000210670 [0,1,0,0,0,0|2,0,0]=3 3423 B14R0.340 CCCCCCCCCSC(F)C(=O)N 62a_100009813875_100000210670 [0,1,0,0,0,0|2,0,0]=3 3424 B14R0.340 CCCCCCCCCSC(F)C(=O)[O-] 62a_100020610796_100000210670 [0,1,0,0,0,0|2,0,0]=3 3425 B14R0.340 CCCCCCCCNCC(=O)C(=O)C 34a_100000229939_100011261029 [0,1,0,0,0,0|2,0,1]=4 3426 B14R0.340 CCCCCCCCNCC(C)C(=O)O 269956a_100000749485_100000210759 [0,1,0,0,0,0|2,0,0]=3 3427 B14R0.340 CCCCCCCCNCC(F)C(=O)O 269956a_100000084737_100000210759 [0,1,0,0,0,0|2,0,0]=3 3428 B14R0.340 CCCCCCCCOCC(=O)C(=O)C 34a_100000210232_100011261029 [0,1,0,0,0,0|2,0,1]=4 3429 B14R0.340 CCCCCCCCOCC(C)C(=O)C 34a_100000032740_100000210759 [0,1,0,0,0,0|2,0,0]=3 3430 B14R0.340 CCCCCCCCOCC(C)C(=O)C 7a_100000032740_100000210759 [0,1,0,0,0,0|2,0,0]=3 3431 B14R0.340 CCCCCCCCOCC(C)[N+](=O)[O-] 34a_100000039676_100000210759 [0,1,0,0,0,0|3,0,0]=4 3432 B14R0.340 CCCCCCCCOCC(C)[N+](=O)[O-] 7a_100000039676_100000210759 [0,1,0,0,0,0|3,0,0]=4 3433 B14R0.340 CCCCCCCCOC[C@H](N)C(=O)N 34a_100000729942_100000210759 [0,1,0,0,0,0|2,0,0]=3 3434 B14R0.340 CCCCCCCCSCC(=O)C(=O)C 62a_100000210759_100011261029 [0,1,0,0,0,0|2,0,1]=4 3435 B14R0.340 CCCCCCCCSCC(=O)C(=O)C 62a_100011261029_100000210317 [0,1,0,0,0,0|2,0,1]=4 3436 B14R0.340 CCCCCCOCCOC(C)C(=O)C 7a_100000691444_100000179758 [0,1,0,0,0,0|3,0,0]=4 3437 B14R0.340 CCCCCCOCCOC(C)C(=O)N 34a_100000691444_100000702099 [0,1,0,0,0,0|3,0,0]=4 3438 B14R0.340 CCCCCCOCCOC(C)C(=O)N 7a_100000691444_100000702099 [0,1,0,0,0,0|3,0,0]=4 3439 B14R0.340 CCCCCCOCCOC(F)C(=O)N 34a_100000691444_100009813875 [0,1,0,0,0,0|3,0,0]=4 3440 B14R0.340 CCCCCCOCCOC(F)C(=O)N 7a_100000691444_100009813875 [0,1,0,0,0,0|3,0,0]=4 3441 B14R0.340 CCCCCCOCCOC(F)C(=O)[O-] 34a_100000691444_100020610796 [0,1,0,0,0,0|3,0,0]=4 3442 B14R0.340 CCCCNCCCCOC(C)C(=O)N 34a_200011216965_100000702099 [0,1,0,0,0,0|3,0,0]=4 3443 B14R0.340 CCCCNCCCCOC(F)C(=O)N 34a_200011216965_100009813875 [0,1,0,0,0,0|3,0,0]=4 3444 B14R0.340 CCCCNCCCCOC(F)C(=O)[O-] 34a_200011216965_100020610796 [0,1,0,0,0,0|3,0,0]=4 3445 B14R0.340 CCCCOCCCCOC(C)C(=O)C 7a_200000760531_100000179758 [0,1,0,0,0,0|3,0,0]=4 3446 B14R0.340 CCCCOCCCCOC(C)C(=O)N 34a_200000760531_100000702099 [0,1,0,0,0,0|3,0,0]=4 3447 B14R0.340 CCCCOCCCCOC(C)C(=O)N 7a_200000760531_100000702099 [0,1,0,0,0,0|3,0,0]=4 3448 B14R0.340 CCCCOCCCCOC(F)C(=O)N 34a_200000760531_100009813875 [0,1,0,0,0,0|3,0,0]=4 3449 B14R0.340 CCCCOCCCCOC(F)C(=O)N 7a_200000760531_100009813875 [0,1,0,0,0,0|3,0,0]=4 3450 B14R0.340 CCCCOCCCCOC(F)C(=O)[O-] 34a_200000760531_100020610796 [0,1,0,0,0,0|3,0,0]=4 3451 B14R0.340 COCCCCCCNCC(C)C(=O)O 269956a_100000749485_100011998445 [0,1,0,0,0,0|3,0,0]=4 3452 B14R0.340 COCCCCCCNCC(F)C(=O)O 269956a_100000084737_100011998445 [0,1,0,0,0,0|3,0,0]=4 3453 B14R0.340 COCCCCCCOCC(C)C(=O)C 34a_100000032740_100011998445 [0,1,0,0,0,0|3,0,0]=4 3454 B14R0.340 COCCCCCCOCC(C)C(=O)C 7a_100000032740_100011998445 [0,1,0,0,0,0|3,0,0]=4 3455 B14R0.340 COCCCCCCOC[C@H](N)C(=O)N 34a_100000729942_100011998445 [0,1,0,0,0,0|3,0,0]=4 3456 B14R0.340 C[C@@H](NCCCCCCCCO)C(=O)N 2230a_100000119354_100000033203 [0,1,0,0,0,0|3,0,0]=4 3457 B14R0.340 C[C@@H](NCCCCCCCCO)C(=O)N 34a_100000119354_100000033203 [0,1,0,0,0,0|3,0,0]=4 3458 B14R0.340 C[C@@H](OCCCCCCCCO)C(=O)N 34a_100000731257_100000033203 [0,1,0,0,0,0|3,0,0]=4 3459 B14R0.340 C[C@@H](OCCCCCCCCO)C(=O)N 7a_100000731257_100000033203 [0,1,0,0,0,0|3,0,0]=4 3460 B14R0.340 C[C@H](NCCCCCCCCO)C(=O)O 269956a_100000743915_100000033203 [0,1,0,0,0,0|3,0,0]=4 3461 B14R0.340 C[C@H](OCCCCCCCCO)C(=O)[O-] 7a_217856618621_100000033203 [0,1,0,0,0,0|3,0,0]=4 3462 B14R0.340 NC(=O)C(F)NCCCCCCCCO 2230a_102515433106_100009813875 [0,1,0,0,0,0|3,0,0]=4 3463 B14R0.340 NC(=O)C(F)NCCCCCCCCO 34a_102515433106_100009813875 [0,1,0,0,0,0|3,0,0]=4 3464 B14R0.340 NC(=O)C(F)OCCCCCCCCBr 34a_100009813846_100009813875 [0,1,0,0,0,0|3,0,0]=4 3465 B14R0.340 NC(=O)C(F)OCCCCCCCCBr 7a_100009813846_100009813875 [0,1,0,0,0,0|3,0,0]=4 3466 B14R0.340 NC(=O)C(F)OCCCCCCCCCl 34a_100000033203_100009813875 [0,1,0,0,0,0|3,0,0]=4 3467 B14R0.340 NC(=O)C(F)OCCCCCCCCCl 7a_100000033203_100009813875 [0,1,0,0,0,0|3,0,0]=4 3468 B14R0.340 NC(=O)C(F)SCCCCCCCCO 62a_100000033203_100009813875 [0,1,0,0,0,0|3,0,0]=4 3469 B14R0.340 NC(=O)C(F)SCCCCCCCCO 62a_100009813875_100000033203 [0,1,0,0,0,0|3,0,0]=4 3470 B14R0.340 NC(=O)[C@@H](N)COCCCCCCCO 34a_100000729942_100000760002 [0,1,0,0,0,0|3,0,0]=4 3471 B14R0.340 NCCCCCCCCOC(F)C(=O)N 34a_102515433106_100009813875 [0,1,0,0,0,0|3,0,0]=4 3472 B14R0.340 NCCCCCCCCOC(F)C(=O)[O-] 34a_102515433106_100020610796 [0,1,0,0,0,0|3,0,0]=4 3473 B14R0.340 O=C(O)C(F)CNCCCCCCCO 269956a_100000084737_100000760002 [0,1,0,0,0,0|3,0,0]=4 3474 B14R0.340 O=C([O-])C(F)NCCCCCCCCO 34a_102515433106_100020610796 [0,1,0,0,0,0|3,0,0]=4 3475 B14R0.340 O=C([O-])C(F)OCCCCCCCCBr 34a_100009813846_100020610796 [0,1,0,0,0,0|3,0,0]=4 3476 B14R0.340 O=C([O-])C(F)OCCCCCCCCCl 34a_100000033203_100020610796 [0,1,0,0,0,0|3,0,0]=4 3477 B14R0.340 O=C([O-])C(F)SCCCCCCCCO 62a_100000033203_100020610796 [0,1,0,0,0,0|3,0,0]=4 3478 B14R0.340 O=C([O-])C(F)SCCCCCCCCO 62a_100020610796_100000033203 [0,1,0,0,0,0|3,0,0]=4 3479 B14R0.344 C=C(C)CCC(=O)CCCCCCCC 1458a_100000210188_100000730704 [0,1,0,0,0,0|2,0,1]=4 3480 B14R0.344 C=C(C)CCC(=O)CCCCCCCC 1458a_200000688413_100000210759 [0,1,0,0,0,0|2,0,1]=4 3481 B14R0.344 C=C(C)CCC(C)NCCCCCCC 270004a_100000229938_100011215600 [0,1,0,0,0,0|3,0,0]=4 3482 B14R0.344 C=C(C)CCN(C)CCCCCCCC 2230a_100000207567_100000730704 [0,1,0,0,0,0|3,0,0]=4 3483 B14R0.344 C=C(C)CCN(C)CCCCCCCC 269982a_100000207567_100000730704 [0,1,0,0,0,0|3,0,0]=4 3484 B14R0.344 C=C(C)COC(C)CCCCCCCC 34a_100000210740_100000748629 [0,1,0,0,0,0|3,0,0]=4 3485 B14R0.344 C=C(C)COC(C)CCCCCCCC 7a_100000210740_100000748629 [0,1,0,0,0,0|3,0,0]=4 3486 B14R0.344 C=C(F)COC(C)CCCCCCCC 34a_100000210740_100009893438 [0,1,0,0,0,0|2,1,0]=4 3487 B14R0.344 C=C(F)COC(C)CCCCCCCC 7a_100000210740_100000042424 [0,1,0,0,0,0|2,1,0]=4 3488 B14R0.344 CCCCCCCCC(=O)CCC(=O)N 1458a_100011215257_100000210759 [0,1,0,0,0,0|1,0,1]=3 3489 B14R0.344 CCCCCCCCC(=O)CC[N+](=O)[O-] 1458a_200000064761_100000210759 [0,1,0,0,0,0|2,0,1]=4 3490 B14R0.344 CCCCCCCCC(=O)CNC(=O)C 1458a_100000194580_100000210759 [0,1,0,0,0,0|2,0,1]=4 3491 B14R0.344 CCCCCCCCC(=O)CNC(=O)N 1458a_100000184981_100000210759 [0,1,0,0,0,0|2,0,1]=4 3492 B14R0.344 CCCCCCCCC(=O)COC(=O)C 1458a_100000183556_100000210759 [0,1,0,0,0,0|2,0,1]=4 3493 B14R0.344 CCCCCCCCC(=O)CSC(=O)C 1458a_100000049016_100000210759 [0,1,0,0,0,0|2,0,1]=4 3494 B14R0.344 CCCCCCCCC(=O)NCC(=O)N 11a_100000711301_100000210188 [0,1,0,0,0,0|2,0,1]=4 3495 B14R0.344 CCCCCCCCC(=O)NCC(=O)N 240690a_100000711301_100000210188 [0,1,0,0,0,0|2,0,1]=4 3496 B14R0.344 CCCCCCCCC(=O)NCC(=O)N 527a_100000711301_100000210188 [0,1,0,0,0,0|2,0,1]=4 3497 B14R0.344 CCCCCCCCC(C)OCC(=O)N 34a_100000210740_100000187820 [0,1,0,0,0,0|2,0,0]=3 3498 B14R0.344 CCCCCCCCC(C)OCC(=O)N 7a_100000210740_100000187820 [0,1,0,0,0,0|2,0,0]=3 3499 B14R0.344 CCCCCCCCC(C)OCC(=O)[O-] 34a_100000210740_100020667443 [0,1,0,0,0,0|2,0,0]=3 3500 B14R0.344 CCCCCCCCC(C)OC[N+](=O)[O-] 34a_100000210740_100000761209 [0,1,0,0,0,0|3,0,0]=4 3501 B14R0.344 CCCCCCCCN(C)CCC(=O)C 269982a_100000207567_100000053229 [0,1,0,0,0,0|2,0,0]=3 3502 B14R0.344 CCCCCCCCN(C)CCC(=O)N 2230a_100000207567_100000744528 [0,1,0,0,0,0|2,0,0]=3 3503 B14R0.344 CCCCCCCCN(C)CCC(=O)N 2230a_100000730477_100000210759 [0,1,0,0,0,0|2,0,0]=3 3504 B14R0.344 CCCCCCCCN(C)CCC(=O)N 269982a_100000207567_100000744528 [0,1,0,0,0,0|2,0,0]=3 3505 B14R0.344 CCCCCCCCN(C)COC(=O)C 269982a_100000207567_100000076356 [0,1,0,0,0,0|3,0,0]=4 3506 B14R0.344 CCCCCCCNC(=O)CCC(=O)N 240690a_100000229938_100011215257 [0,1,0,0,0,0|2,0,1]=4 3507 B14R0.344 CCCCCCCNC(=O)CCC(=O)N 527a_100000229938_100011215257 [0,1,0,0,0,0|2,0,1]=4 3508 B14R0.344 CCCCCCCNC(C)COC(=O)C 270004a_100000229938_100000000629 [0,1,0,0,0,0|3,0,0]=4 3509 B14R0.344 CCCCCCNCC(C)CSC(=O)C 2230a_100000210581_200000116872 [0,1,0,0,0,0|3,0,0]=4 3510 B14R0.344 CCCCCCOCC(C)CSC(=O)C 34a_100000210259_200000116872 [0,1,0,0,0,0|3,0,0]=4 3511 B14R0.344 CCCCCCOCC(C)CSC(=O)C 7a_100000210259_200000116872 [0,1,0,0,0,0|3,0,0]=4 3512 B14R0.344 CCCCCCOCC(O)COC(=O)C 34a_100000210259_200000139349 [0,1,0,0,0,0|3,0,0]=4 3513 B14R0.344 CCCCCCOCC(O)COC(=O)C 7a_100000210259_200000139349 [0,1,0,0,0,0|3,0,0]=4 3514 B14R0.344 CCCCCCSCC(C)CSC(=O)C 62a_100000210314_200000116872 [0,1,0,0,0,0|3,0,0]=4 3515 B14R0.344 CCCCCCSCC(C)CSC(=O)C 62a_200000116872_100000210757 [0,1,0,0,0,0|3,0,0]=4 3516 B14R0.344 CCCCCCSCC(O)COC(=O)C 62a_100000210314_200000139349 [0,1,0,0,0,0|3,0,0]=4 3517 B14R0.344 CCCCCCSCC(O)COC(=O)C 62a_200000139349_100000210757 [0,1,0,0,0,0|3,0,0]=4 3518 B14R0.344 CN(CCCCCCCO)CCC(=O)N 2230a_100000730477_100000760002 [0,1,0,0,0,0|3,0,0]=4 3519 B14R0.344 COCCCCCCC(=O)CCC(=O)N 1458a_100011215257_100011998445 [0,1,0,0,0,0|2,0,1]=4 3520 B14R0.344 COCCCCCCN(C)CCC(=O)N 2230a_100000730477_100011998445 [0,1,0,0,0,0|3,0,0]=4 3521 B14R0.344 NC(=O)CCC(=O)CCCCCCCO 1458a_100011215257_100000760002 [0,1,0,0,0,0|2,0,1]=4 3522 B14R0.391 C=C(C)CC(=O)CCCCCCCCC 1458a_100000210558_100000748629 [0,1,0,0,0,0|2,0,1]=4 3523 B14R0.391 C=C(C)CN(C)CCCCCCCCC 2230a_100000225649_100011214924 [0,1,0,0,0,0|3,0,0]=4 3524 B14R0.391 C=C(C)CN(C)CCCCCCCCC 2230a_100000232482_100000748629 [0,1,0,0,0,0|3,0,0]=4 3525 B14R0.391 C=C(C)CN(C)CCCCCCCCC 269982a_100000225649_100000210670 [0,1,0,0,0,0|3,0,0]=4 3526 B14R0.391 C=C(C)CN(C)CCCCCCCCC 269982a_100000232482_100000748629 [0,1,0,0,0,0|3,0,0]=4 3527 B14R0.391 C=C(F)CC(=O)CCCCCCCCC 1458a_100000210558_100009893438 [0,1,0,0,0,0|1,1,1]=4 3528 B14R0.391 C=C(F)CN(C)CCCCCCCCC 2230a_100000232482_100009893438 [0,1,0,0,0,0|2,1,0]=4 3529 B14R0.391 C=C(F)CN(C)CCCCCCCCC 269982a_100000232482_100009893438 [0,1,0,0,0,0|2,1,0]=4 3530 B14R0.391 CCCCCCCCCC(=O)C=C(C)Cl 1458a_200042562850_100000210670 [0,1,0,0,0,0|1,0,2]=4 3531 B14R0.391 CCCCCCCCCC(=O)CC(=O)N 1458a_100000210558_100000187820 [0,1,0,0,0,0|1,0,1]=3 3532 B14R0.391 CCCCCCCCCC(=O)CC(=O)N 1458a_100134613110_100000210670 [0,1,0,0,0,0|1,0,1]=3 3533 B14R0.391 CCCCCCCCCC(=O)CC(=O)[O-] 1458a_100000210558_100020667443 [0,1,0,0,0,0|1,0,1]=3 3534 B14R0.391 CCCCCCCCCC(=O)C[N+](=O)[O-] 1458a_100000210558_100000761209 [0,1,0,0,0,0|2,0,1]=4 3535 B14R0.391 CCCCCCCCCC(C)CN(C)C 270004a_100102631434_200011218516 [0,1,0,0,0,0|3,0,0]=4 3536 B14R0.391 CCCCCCCCCN(C)CC(=O)N 2230a_100000232482_100000747473 [0,1,0,0,0,0|2,0,0]=3 3537 B14R0.391 CCCCCCCCCN(C)CC(=O)N 2230a_100000739694_100011214924 [0,1,0,0,0,0|2,0,0]=3 3538 B14R0.391 CCCCCCCCCN(C)CC(=O)N 269982a_100000232482_100000187820 [0,1,0,0,0,0|2,0,0]=3 3539 B14R0.391 CCCCCCCCCN(C)CC(=O)O 269956a_100000746989_100000210670 [0,1,0,0,0,0|2,0,0]=3 3540 B14R0.391 CCCCCCCCCN(C)CC(=O)[O-] 269982a_100000232482_100020667443 [0,1,0,0,0,0|2,0,0]=3 3541 B14R0.391 CCCCCCCCCN(C)C[N+](=O)[O-] 269982a_100000232482_100000761209 [0,1,0,0,0,0|3,0,0]=4 3542 B14R0.391 CCCCCCCCNC(=O)CC(=O)N 240690a_100000229939_100134613110 [0,1,0,0,0,0|2,0,1]=4 3543 B14R0.391 CCCCCCCCNC(=O)CC(=O)N 527a_100000229939_100134613110 [0,1,0,0,0,0|2,0,1]=4 3544 B14R0.391 CCCCCCCCSC(C)OC(=O)C 62a_100000210759_100009818208 [0,1,0,0,0,0|3,0,0]=4 3545 B14R0.391 CCCCCCCCSC(C)OC(=O)C 62a_100009818208_100000210317 [0,1,0,0,0,0|3,0,0]=4 3546 B14R0.391 CCCCCCCNCC(O)CC(=O)O 269956a_100011218706_100000210614 [0,1,0,0,0,0|2,0,0]=3 3547 B14R0.391 CCCCOCCNCC(O)CC(=O)O 269956a_100011218706_100000743108 [0,1,0,0,0,0|3,0,0]=4 3548 B14R0.391 CN(CCCCCCCCO)CC(=O)N 2230a_100000739694_100000033203 [0,1,0,0,0,0|3,0,0]=4 3549 B14R0.391 CN(CCCCCCCCO)CC(=O)O 269956a_100000746989_100000033203 [0,1,0,0,0,0|3,0,0]=4 3550 B14R0.391 NC(=O)CC(=O)CCCCCCCCO 1458a_100134613110_100000033203 [0,1,0,0,0,0|2,0,1]=4 3551 B14R0.391 O=C(O)CC(O)CNCCCCCCF 269956a_100011218706_100015922095 [0,1,0,0,0,0|3,0,0]=4 3552 B14R0.391 O=C(O)CC(O)CNCCCCCCO 269956a_100011218706_100000766143 [0,1,0,0,0,0|3,0,0]=4 3553 B14R0.394 C#CCCCCCCCCOCC(=O)N 34a_100000065265_100000187820 [0,1,0,0,0,0|1,0,2]=4 3554 B14R0.394 C#CCCCCCCCCOCC(=O)N 7a_100000065265_100000187820 [0,1,0,0,0,0|1,0,2]=4 3555 B14R0.394 C#CCCCCCCCCOCC(=O)[O-] 34a_100000065265_100020667443 [0,1,0,0,0,0|1,0,2]=4 3556 B14R0.394 C#CCCCCCCCOCCC(=O)C 34a_100000759926_100153394163 [0,1,0,0,0,0|1,0,2]=4 3557 B14R0.394 C#CCCCCCCCOCCC(=O)C 7a_100000054614_100000053229 [0,1,0,0,0,0|1,0,2]=4 3558 B14R0.394 C#CCCCCCCCOCCC(=O)C 7a_100000759926_100153394163 [0,1,0,0,0,0|1,0,2]=4 3559 B14R0.394 C#CCCCCCCCOCCC(=O)N 34a_100000054614_100000731001 [0,1,0,0,0,0|1,0,2]=4 3560 B14R0.394 C#CCCCCCCCOCCC(=O)N 34a_100000757172_100153394163 [0,1,0,0,0,0|1,0,2]=4 3561 B14R0.394 C#CCCCCCCCOCCC(=O)N 7a_100000054614_100000744528 [0,1,0,0,0,0|1,0,2]=4 3562 B14R0.394 C#CCCCCCCCOCCC(=O)N 7a_100000757172_100153394163 [0,1,0,0,0,0|1,0,2]=4 3563 B14R0.394 C#CCCCCCCCSCCC(=O)C 62a_100000053229_100153394163 [0,1,0,0,0,0|1,0,2]=4 3564 B14R0.394 C#CCCCCCCCSCCC(=O)C 62a_100153394163_100000053229 [0,1,0,0,0,0|1,0,2]=4 3565 B14R0.394 C#CCCCCCCCSCCC(=O)N 62a_100000744528_100153394163 [0,1,0,0,0,0|1,0,2]=4 3566 B14R0.394 C#CCCCCCCCSCCC(=O)N 62a_100153394163_100000744528 [0,1,0,0,0,0|1,0,2]=4 3567 B14R0.394 C#CCCCCCCNCCCC(=O)N 34a_100000739312_100012276617 [0,1,0,0,0,0|1,0,2]=4 3568 B14R0.394 C#CCCCCCCOCCCC(=O)C 34a_100000759063_100012276617 [0,1,0,0,0,0|1,0,2]=4 3569 B14R0.394 C#CCCCCCCOCCCC(=O)C 34a_100011217361_100000685027 [0,1,0,0,0,0|1,0,2]=4 3570 B14R0.394 C#CCCCCCCOCCCC(=O)C 7a_100000759063_100012276617 [0,1,0,0,0,0|1,0,2]=4 3571 B14R0.394 C#CCCCCCCOCCCC(=O)C 7a_100011217361_100011215641 [0,1,0,0,0,0|1,0,2]=4 3572 B14R0.394 C#CCCCCCCOCCCC(=O)N 34a_100011217361_100102525003 [0,1,0,0,0,0|1,0,2]=4 3573 B14R0.394 C#CCCCCCCOCCCC(=O)N 7a_100011217361_100102525003 [0,1,0,0,0,0|1,0,2]=4 3574 B14R0.394 C#CCCCCCCSCCCC(=O)C 62a_100011215641_100012276617 [0,1,0,0,0,0|1,0,2]=4 3575 B14R0.394 C#CCCCCCCSCCCC(=O)C 62a_100012276617_100011215641 [0,1,0,0,0,0|1,0,2]=4 3576 B14R0.394 C#CCCCCCCSCCCC(=O)N 62a_100012276617_100102525003 [0,1,0,0,0,0|1,0,2]=4 3577 B14R0.394 C#CCCCCCCSCCCC(=O)N 62a_100102525003_100012276617 [0,1,0,0,0,0|1,0,2]=4 3578 B14R0.394 C#CCCCCCNCCCCC(=O)N 34a_100000696515_100012094781 [0,1,0,0,0,0|1,0,2]=4 3579 B14R0.394 C#CCCCCCOCCCCC(=O)C 34a_100000766912_100009817362 [0,1,0,0,0,0|1,0,2]=4 3580 B14R0.394 C#CCCCCCOCCCCC(=O)C 7a_100000766912_100000735457 [0,1,0,0,0,0|1,0,2]=4 3581 B14R0.394 C#CCCCCCOCCCCC(=O)N 34a_100012022536_100012094781 [0,1,0,0,0,0|1,0,2]=4 3582 B14R0.394 C#CCCCCCOCCCCC(=O)N 7a_100012022536_100012094781 [0,1,0,0,0,0|1,0,2]=4 3583 B14R0.394 C#CCCCCCSCCCCC(=O)C 62a_100000735457_100012094781 [0,1,0,0,0,0|1,0,2]=4 3584 B14R0.394 C#CCCCCCSCCCCC(=O)C 62a_100012094781_100000735457 [0,1,0,0,0,0|1,0,2]=4 3585 B14R0.394 C#CCCCCNCCCCCC(=O)N 2230a_100000706060_100009817443 [0,1,0,0,0,0|1,0,2]=4 3586 B14R0.394 C#CCCCCNCCCCCC(=O)N 34a_100000706060_100009817443 [0,1,0,0,0,0|1,0,2]=4 3587 B14R0.394 C#CCCCCOCCCCCC(=O)N 34a_100000123541_100010269958 [0,1,0,0,0,0|1,0,2]=4 3588 B14R0.394 C#CCCCCOCCCCCC(=O)N 34a_100000766709_100009817443 [0,1,0,0,0,0|1,0,2]=4 3589 B14R0.394 C#CCCCCOCCCCCC(=O)N 7a_100000123541_100010269958 [0,1,0,0,0,0|1,0,2]=4 3590 B14R0.394 C#CCCCCOCCCCCC(=O)N 7a_100000766709_100009817443 [0,1,0,0,0,0|1,0,2]=4 3591 B14R0.394 C#CCCCCOCCCCCC(=O)[O-] 7a_100102619762_100010269958 [0,1,0,0,0,0|1,0,2]=4 3592 B14R0.394 C#CCCCCSCCCCCC(=O)N 62a_100009817443_100010269958 [0,1,0,0,0,0|1,0,2]=4 3593 B14R0.394 C#CCCCCSCCCCCC(=O)N 62a_100010269958_100009817443 [0,1,0,0,0,0|1,0,2]=4 3594 B14R0.394 C=C(Br)CCOCCCCCCCCO 34a_100009813270_100000033203 [0,1,0,0,0,0|2,1,0]=4 3595 B14R0.394 C=C(C)CCNCCCCCCCCC 2230a_100000212291_100000730704 [0,1,0,0,0,0|2,0,0]=3 3596 B14R0.394 C=C(C)CCNCCCCCCCCC 34a_100000212291_100000730704 [0,1,0,0,0,0|2,0,0]=3 3597 B14R0.394 C=C(C)CCNCCCCCCCCO 2230a_102515433106_100000730704 [0,1,0,0,0,0|3,0,0]=4 3598 B14R0.394 C=C(C)CCNCCCCCCCCO 34a_102515433106_100000730704 [0,1,0,0,0,0|3,0,0]=4 3599 B14R0.394 C=C(C)CCOCCCCCCCCBr 34a_100009813846_100000730704 [0,1,0,0,0,0|3,0,0]=4 3600 B14R0.394 C=C(C)CCOCCCCCCCCBr 7a_100009813846_100000730704 [0,1,0,0,0,0|3,0,0]=4 3601 B14R0.394 C=C(C)CCOCCCCCCCCC 34a_100000210712_100000730704 [0,1,0,0,0,0|2,0,0]=3 3602 B14R0.394 C=C(C)CCOCCCCCCCCC 34a_100000764851_100011214924 [0,1,0,0,0,0|2,0,0]=3 3603 B14R0.394 C=C(C)CCOCCCCCCCCC 7a_100000210712_100000730704 [0,1,0,0,0,0|2,0,0]=3 3604 B14R0.394 C=C(C)CCOCCCCCCCCCl 34a_100000033203_100000730704 [0,1,0,0,0,0|3,0,0]=4 3605 B14R0.394 C=C(C)CCOCCCCCCCCCl 7a_100000033203_100000730704 [0,1,0,0,0,0|3,0,0]=4 3606 B14R0.394 C=C(C)CCOCCCCCCCCN 34a_102515433106_100000730704 [0,1,0,0,0,0|3,0,0]=4 3607 B14R0.394 C=C(C)CCOCCCCCCCCO 34a_100000764851_100000033203 [0,1,0,0,0,0|3,0,0]=4 3608 B14R0.394 C=C(C)CCOCCCCNCCCC 34a_200011216965_100000730704 [0,1,0,0,0,0|3,0,0]=4 3609 B14R0.394 C=C(C)CCOCCCCOCCCC 34a_200000760531_100000730704 [0,1,0,0,0,0|3,0,0]=4 3610 B14R0.394 C=C(C)CCOCCCCOCCCC 7a_200000760531_100000730704 [0,1,0,0,0,0|3,0,0]=4 3611 B14R0.394 C=C(C)CCOCCOCCCCCC 34a_100000691444_100000730704 [0,1,0,0,0,0|3,0,0]=4 3612 B14R0.394 C=C(C)CCOCCOCCCCCC 7a_100000691444_100000730704 [0,1,0,0,0,0|3,0,0]=4 3613 B14R0.394 C=C(C)CCSCCCCCCCCO 62a_100000033203_100000730704 [0,1,0,0,0,0|3,0,0]=4 3614 B14R0.394 C=C(C)CCSCCCCCCCCO 62a_100000730704_100000033203 [0,1,0,0,0,0|3,0,0]=4 3615 B14R0.394 C=C(C)CNCCCCCCCCCC 2230a_100000684558_100000748629 [0,1,0,0,0,0|2,0,0]=3 3616 B14R0.394 C=C(C)CNCCCCCCCCCC 34a_100000684558_100000748629 [0,1,0,0,0,0|2,0,0]=3 3617 B14R0.394 C=C(C)CNCCCCCCCCCO 2230a_100000078944_100000748629 [0,1,0,0,0,0|3,0,0]=4 3618 B14R0.394 C=C(C)CNCCCCCCCCCO 34a_100000078944_100000748629 [0,1,0,0,0,0|3,0,0]=4 3619 B14R0.394 C=C(C)COCCCCCCCCCBr 34a_100009813782_100000748629 [0,1,0,0,0,0|3,0,0]=4 3620 B14R0.394 C=C(C)COCCCCCCCCCBr 7a_100009813782_100000748629 [0,1,0,0,0,0|3,0,0]=4 3621 B14R0.394 C=C(C)COCCCCCCCCCC 34a_100000210245_100000210320 [0,1,0,0,0,0|2,0,0]=3 3622 B14R0.394 C=C(C)COCCCCCCCCCC 34a_100000210711_100000748629 [0,1,0,0,0,0|2,0,0]=3 3623 B14R0.394 C=C(C)COCCCCCCCCCC 7a_100000210711_100000748629 [0,1,0,0,0,0|2,0,0]=3 3624 B14R0.394 C=C(C)COCCCCCCCCCCl 34a_100009868337_100000748629 [0,1,0,0,0,0|3,0,0]=4 3625 B14R0.394 C=C(C)COCCCCCCCCCCl 7a_100009868337_100000748629 [0,1,0,0,0,0|3,0,0]=4 3626 B14R0.394 C=C(C)COCCCCCCCCCN 34a_100000078944_100000748629 [0,1,0,0,0,0|3,0,0]=4 3627 B14R0.394 C=C(C)COCCCCCCCCCO 34a_100000210245_100009813782 [0,1,0,0,0,0|3,0,0]=4 3628 B14R0.394 C=C(C)CSCCCCCCCCCO 62a_100000748629_100009813782 [0,1,0,0,0,0|3,0,0]=4 3629 B14R0.394 C=C(C)CSCCCCCCCCCO 62a_100009813782_100000211660 [0,1,0,0,0,0|3,0,0]=4 3630 B14R0.394 C=C(F)CNCCCCCCCCCC 2230a_100000684558_100009893438 [0,1,0,0,0,0|1,1,0]=3 3631 B14R0.394 C=C(F)CNCCCCCCCCCC 34a_100000684558_100009893438 [0,1,0,0,0,0|1,1,0]=3 3632 B14R0.394 C=C(F)CNCCCCCCCCCO 2230a_100000078944_100009893438 [0,1,0,0,0,0|2,1,0]=4 3633 B14R0.394 C=C(F)CNCCCCCCCCCO 34a_100000078944_100009893438 [0,1,0,0,0,0|2,1,0]=4 3634 B14R0.394 C=C(F)COCCCCCCCCCBr 34a_100009813782_100009893438 [0,1,0,0,0,0|2,1,0]=4 3635 B14R0.394 C=C(F)COCCCCCCCCCBr 7a_100009813782_100000042424 [0,1,0,0,0,0|2,1,0]=4 3636 B14R0.394 C=C(F)COCCCCCCCCCC 34a_100000210711_100009893438 [0,1,0,0,0,0|1,1,0]=3 3637 B14R0.394 C=C(F)COCCCCCCCCCC 34a_200010262243_100000210320 [0,1,0,0,0,0|1,1,0]=3 3638 B14R0.394 C=C(F)COCCCCCCCCCC 7a_100000210711_100000042424 [0,1,0,0,0,0|1,1,0]=3 3639 B14R0.394 C=C(F)COCCCCCCCCCCl 34a_100009868337_100009893438 [0,1,0,0,0,0|2,1,0]=4 3640 B14R0.394 C=C(F)COCCCCCCCCCCl 7a_100009868337_100000042424 [0,1,0,0,0,0|2,1,0]=4 3641 B14R0.394 C=C(F)COCCCCCCCCCN 34a_100000078944_100009893438 [0,1,0,0,0,0|2,1,0]=4 3642 B14R0.394 C=C(F)COCCCCCCCCCO 34a_200010262243_100009813782 [0,1,0,0,0,0|2,1,0]=4 3643 B14R0.394 C=C(F)CSCCCCCCCCCO 62a_100000042424_100009813782 [0,1,0,0,0,0|2,1,0]=4 3644 B14R0.394 C=C(F)CSCCCCCCCCCO 62a_100009813782_100000042424 [0,1,0,0,0,0|2,1,0]=4 3645 B14R0.394 C=CCCCCCCCCCCC(=O)C 1458a_100000070787_100011093070 [0,1,0,0,0,0|1,0,1]=3 3646 B14R0.394 C=CCCCCCCCCCNC(=O)C 11a_100000081888_100015343762 [0,1,0,0,0,0|1,0,2]=4 3647 B14R0.394 C=CCCCCCCCCCNC(=O)C 1626a_100000081888_100015343762 [0,1,0,0,0,0|1,0,2]=4 3648 B14R0.394 C=CCCCCCCCCCNC(=O)C 240690a_100000081888_100015343762 [0,1,0,0,0,0|1,0,2]=4 3649 B14R0.394 C=CCCCCCCCCCNC(=O)C 527a_100000081888_100103153847 [0,1,0,0,0,0|1,0,2]=4 3650 B14R0.394 C=CCCCCCCCCNCC(=O)N 2230a_100000711301_100011933949 [0,1,0,0,0,0|1,0,2]=4 3651 B14R0.394 C=CCCCCCCCCNCC(=O)O 269956a_100016091260_100011933949 [0,1,0,0,0,0|1,0,2]=4 3652 B14R0.394 C=CCCCCCCCCOCC(=O)C 34a_100000211253_100011933949 [0,1,0,0,0,0|1,0,2]=4 3653 B14R0.394 C=CCCCCCCCCOCC(=O)N 34a_100011215194_100000187820 [0,1,0,0,0,0|1,0,2]=4 3654 B14R0.394 C=CCCCCCCCCOCC(=O)N 7a_100011215194_100000187820 [0,1,0,0,0,0|1,0,2]=4 3655 B14R0.394 C=CCCCCCCCCOCC(=O)[O-] 34a_100011215194_100020667443 [0,1,0,0,0,0|1,0,2]=4 3656 B14R0.394 C=CCCCCCCCCSCC(=O)N 62a_100000747473_100011933949 [0,1,0,0,0,0|1,0,2]=4 3657 B14R0.394 C=CCCCCCCCCSCC(=O)N 62a_100011933949_100000747473 [0,1,0,0,0,0|1,0,2]=4 3658 B14R0.394 C=CCCCCCCCCSCC(=O)[O-] 62a_100011933949_100020667443 [0,1,0,0,0,0|1,0,2]=4 3659 B14R0.394 C=CCCCCCCCCSCC(=O)[O-] 62a_100020667443_100011933949 [0,1,0,0,0,0|1,0,2]=4 3660 B14R0.394 C=CCCCCCCCOCCC(=O)C 34a_100000759926_100012355270 [0,1,0,0,0,0|1,0,2]=4 3661 B14R0.394 C=CCCCCCCCOCCC(=O)C 7a_100000730831_100000053229 [0,1,0,0,0,0|1,0,2]=4 3662 B14R0.394 C=CCCCCCCCOCCC(=O)C 7a_100000759926_100012355270 [0,1,0,0,0,0|1,0,2]=4 3663 B14R0.394 C=CCCCCCCCOCCC(=O)N 34a_100000730831_100000731001 [0,1,0,0,0,0|1,0,2]=4 3664 B14R0.394 C=CCCCCCCCOCCC(=O)N 34a_100000757172_100012355270 [0,1,0,0,0,0|1,0,2]=4 3665 B14R0.394 C=CCCCCCCCOCCC(=O)N 7a_100000730831_100000744528 [0,1,0,0,0,0|1,0,2]=4 3666 B14R0.394 C=CCCCCCCCOCCC(=O)N 7a_100000757172_100012355270 [0,1,0,0,0,0|1,0,2]=4 3667 B14R0.394 C=CCCCCCCCSCCC(=O)C 62a_100000053229_100012355270 [0,1,0,0,0,0|1,0,2]=4 3668 B14R0.394 C=CCCCCCCCSCCC(=O)C 62a_100012355270_100000053229 [0,1,0,0,0,0|1,0,2]=4 3669 B14R0.394 C=CCCCCCCCSCCC(=O)N 62a_100000744528_100012355270 [0,1,0,0,0,0|1,0,2]=4 3670 B14R0.394 C=CCCCCCCCSCCC(=O)N 62a_100012355270_100000744528 [0,1,0,0,0,0|1,0,2]=4 3671 B14R0.394 C=CCCCCCCNCCCC(=O)N 34a_100000739312_100011215473 [0,1,0,0,0,0|1,0,2]=4 3672 B14R0.394 C=CCCCCCCOCCCC(=O)C 34a_100000759063_100011215473 [0,1,0,0,0,0|1,0,2]=4 3673 B14R0.394 C=CCCCCCCOCCCC(=O)C 34a_200011216477_100000685027 [0,1,0,0,0,0|1,0,2]=4 3674 B14R0.394 C=CCCCCCCOCCCC(=O)C 7a_100000759063_100011215473 [0,1,0,0,0,0|1,0,2]=4 3675 B14R0.394 C=CCCCCCCOCCCC(=O)C 7a_200011216477_100011215641 [0,1,0,0,0,0|1,0,2]=4 3676 B14R0.394 C=CCCCCCCOCCCC(=O)N 34a_200011216477_100102525003 [0,1,0,0,0,0|1,0,2]=4 3677 B14R0.394 C=CCCCCCCOCCCC(=O)N 7a_200011216477_100102525003 [0,1,0,0,0,0|1,0,2]=4 3678 B14R0.394 C=CCCCCCCSCCCC(=O)C 62a_100011215473_100011215641 [0,1,0,0,0,0|1,0,2]=4 3679 B14R0.394 C=CCCCCCCSCCCC(=O)C 62a_100011215641_100011215473 [0,1,0,0,0,0|1,0,2]=4 3680 B14R0.394 C=CCCCCCCSCCCC(=O)N 62a_100011215473_100102525003 [0,1,0,0,0,0|1,0,2]=4 3681 B14R0.394 C=CCCCCCCSCCCC(=O)N 62a_100102525003_100011215473 [0,1,0,0,0,0|1,0,2]=4 3682 B14R0.394 C=CCCCCCNCCCCC(=O)N 34a_100000696515_100000700193 [0,1,0,0,0,0|1,0,2]=4 3683 B14R0.394 C=CCCCCCOCCCCC(=O)C 34a_100011216702_100009817362 [0,1,0,0,0,0|1,0,2]=4 3684 B14R0.394 C=CCCCCCOCCCCC(=O)C 7a_100011216702_100000735457 [0,1,0,0,0,0|1,0,2]=4 3685 B14R0.394 C=CCCCCCOCCCCC(=O)N 34a_100012022536_100000700193 [0,1,0,0,0,0|1,0,2]=4 3686 B14R0.394 C=CCCCCCOCCCCC(=O)N 7a_100012022536_100000700193 [0,1,0,0,0,0|1,0,2]=4 3687 B14R0.394 C=CCCCCCSCCCCC(=O)C 62a_100000700193_100000735457 [0,1,0,0,0,0|1,0,2]=4 3688 B14R0.394 C=CCCCCCSCCCCC(=O)C 62a_100000735457_100000700193 [0,1,0,0,0,0|1,0,2]=4 3689 B14R0.394 C=CCCCCNCCCCCC(=O)N 2230a_100000703577_100009817443 [0,1,0,0,0,0|1,0,2]=4 3690 B14R0.394 C=CCCCCNCCCCCC(=O)N 34a_100000703577_100009817443 [0,1,0,0,0,0|1,0,2]=4 3691 B14R0.394 C=CCCCCOCCCCCC(=O)N 34a_100000123541_100011215482 [0,1,0,0,0,0|1,0,2]=4 3692 B14R0.394 C=CCCCCOCCCCCC(=O)N 34a_100000766645_100009817443 [0,1,0,0,0,0|1,0,2]=4 3693 B14R0.394 C=CCCCCOCCCCCC(=O)N 7a_100000123541_100011215482 [0,1,0,0,0,0|1,0,2]=4 3694 B14R0.394 C=CCCCCOCCCCCC(=O)N 7a_100000766645_100009817443 [0,1,0,0,0,0|1,0,2]=4 3695 B14R0.394 C=CCCCCOCCCCCC(=O)[O-] 7a_100102619762_100011215482 [0,1,0,0,0,0|1,0,2]=4 3696 B14R0.394 C=CCCCCSCCCCCC(=O)N 62a_100009817443_100011215482 [0,1,0,0,0,0|1,0,2]=4 3697 B14R0.394 C=CCCCCSCCCCCC(=O)N 62a_100011215482_100009817443 [0,1,0,0,0,0|1,0,2]=4 3698 B14R0.394 CC(=O)CCCCCCCCCCCO 1458a_100000070787_100009812471 [0,1,0,0,0,0|1,0,0]=2 3699 B14R0.394 CC(=O)CCCCNCCCCCCO 34a_100000686447_100009817362 [0,1,0,0,0,0|2,0,0]=3 3700 B14R0.394 CC(=O)CCCCOCCCCCCBr 34a_100011215345_100009817362 [0,1,0,0,0,0|2,0,0]=3 3701 B14R0.394 CC(=O)CCCCOCCCCCCBr 7a_100011215345_100000735457 [0,1,0,0,0,0|2,0,0]=3 3702 B14R0.394 CC(=O)CCCCOCCCCCCCl 34a_100000766143_100009817362 [0,1,0,0,0,0|2,0,0]=3 3703 B14R0.394 CC(=O)CCCCOCCCCCCCl 7a_100000766143_100000735457 [0,1,0,0,0,0|2,0,0]=3 3704 B14R0.394 CC(=O)CCCCOCCCCCCF 34a_100000732779_100009817362 [0,1,0,0,0,0|2,0,0]=3 3705 B14R0.394 CC(=O)CCCCOCCCCCCF 7a_100000732779_100000735457 [0,1,0,0,0,0|2,0,0]=3 3706 B14R0.394 CC(=O)CCCCOCCCCCCN 34a_100000686447_100009817362 [0,1,0,0,0,0|2,0,0]=3 3707 B14R0.394 CC(=O)CCCCSCCCCCC#N 62a_100000735457_100009813376 [0,1,0,0,0,0|2,0,1]=4 3708 B14R0.394 CC(=O)CCCCSCCCCCC#N 62a_100009813376_100000735457 [0,1,0,0,0,0|2,0,1]=4 3709 B14R0.394 CC(=O)CCCCSCCCCCC=O 62a_100000139337_100000735457 [0,1,0,0,0,0|2,0,1]=4 3710 B14R0.394 CC(=O)CCCCSCCCCCC=O 62a_100000735457_100000139337 [0,1,0,0,0,0|2,0,1]=4 3711 B14R0.394 CC(=O)CCCCSCCCCCCF 62a_100000735457_100015922095 [0,1,0,0,0,0|2,0,0]=3 3712 B14R0.394 CC(=O)CCCCSCCCCCCF 62a_100015922095_100000735457 [0,1,0,0,0,0|2,0,0]=3 3713 B14R0.394 CC(=O)CCCCSCCCCCCO 62a_100000735457_100000766143 [0,1,0,0,0,0|2,0,0]=3 3714 B14R0.394 CC(=O)CCCCSCCCCCCO 62a_100000766143_100000735457 [0,1,0,0,0,0|2,0,0]=3 3715 B14R0.394 CC(=O)CCCNCCCCCCCO 34a_100011996573_100000685027 [0,1,0,0,0,0|2,0,0]=3 3716 B14R0.394 CC(=O)CCCNCCCOCCCO 34a_100011310245_100000685027 [0,1,0,0,0,0|3,0,0]=4 3717 B14R0.394 CC(=O)CCCOCCCCCCC#N 7a_100000759063_100009813337 [0,1,0,0,0,0|2,0,1]=4 3718 B14R0.394 CC(=O)CCCOCCCCCCCBr 34a_100000760002_100000685027 [0,1,0,0,0,0|2,0,0]=3 3719 B14R0.394 CC(=O)CCCOCCCCCCCBr 7a_100000760002_100011215641 [0,1,0,0,0,0|2,0,0]=3 3720 B14R0.394 CC(=O)CCCOCCCCCCCN 34a_100011996573_100000685027 [0,1,0,0,0,0|2,0,0]=3 3721 B14R0.394 CC(=O)CCCOCCCCCCCO 34a_100000759063_100000760002 [0,1,0,0,0,0|2,0,0]=3 3722 B14R0.394 CC(=O)CCCOCCCCCCCO 7a_100000759063_100000760002 [0,1,0,0,0,0|2,0,0]=3 3723 B14R0.394 CC(=O)CCCOCCCOCCCN 34a_100011310245_100000685027 [0,1,0,0,0,0|3,0,0]=4 3724 B14R0.394 CC(=O)CCCSCCCCCCC#N 62a_100009813337_100011215641 [0,1,0,0,0,0|2,0,1]=4 3725 B14R0.394 CC(=O)CCCSCCCCCCC#N 62a_100011215641_100009813337 [0,1,0,0,0,0|2,0,1]=4 3726 B14R0.394 CC(=O)CCCSCCCCCCCO 62a_100000760002_100011215641 [0,1,0,0,0,0|2,0,0]=3 3727 B14R0.394 CC(=O)CCCSCCCCCCCO 62a_100011215641_100000760002 [0,1,0,0,0,0|2,0,0]=3 3728 B14R0.394 CC(=O)CCOCCCCCCCCBr 7a_100009813846_100000053229 [0,1,0,0,0,0|2,0,0]=3 3729 B14R0.394 CC(=O)CCOCCCCCCCCCl 7a_100000033203_100000053229 [0,1,0,0,0,0|2,0,0]=3 3730 B14R0.394 CC(=O)CCOCCCCCCCCO 34a_100000759926_100000033203 [0,1,0,0,0,0|2,0,0]=3 3731 B14R0.394 CC(=O)CCOCCCCCCCCO 7a_100000759926_100000033203 [0,1,0,0,0,0|2,0,0]=3 3732 B14R0.394 CC(=O)CCSCCCCCCCCO 62a_100000033203_100000053229 [0,1,0,0,0,0|2,0,0]=3 3733 B14R0.394 CC(=O)CCSCCCCCCCCO 62a_100000053229_100000033203 [0,1,0,0,0,0|2,0,0]=3 3734 B14R0.394 CC(=O)COCCCCCCCCCO 34a_100000211253_100009813782 [0,1,0,0,0,0|2,0,0]=3 3735 B14R0.394 CC(=O)NCCCCCCCCCCO 240690a_100000066964_100015343762 [0,1,0,0,0,0|2,0,0]=3 3736 B14R0.394 CC(=O)NCCCCCCNCCCF 2230a_200011996284_100011934791 [0,1,0,0,0,0|3,0,0]=4 3737 B14R0.394 CC(=O)NCCCCCCNCCCF 34a_200011996284_100011934791 [0,1,0,0,0,0|3,0,0]=4 3738 B14R0.394 CC(=O)NCCCCCCNCCCO 2230a_200011996284_100000230001 [0,1,0,0,0,0|3,0,0]=4 3739 B14R0.394 CC(=O)NCCCCCCNCCCO 34a_200011996284_100000230001 [0,1,0,0,0,0|3,0,0]=4 3740 B14R0.394 CC(=O)NCCCCCNCCCCF 2230a_200012022750_100000729493 [0,1,0,0,0,0|3,0,0]=4 3741 B14R0.394 CC(=O)NCCCCCNCCCCF 34a_200012022750_100000729493 [0,1,0,0,0,0|3,0,0]=4 3742 B14R0.394 CC(=O)NCCCCCNCCCCO 2230a_200012022750_100000210776 [0,1,0,0,0,0|3,0,0]=4 3743 B14R0.394 CC(=O)NCCCCCNCCCCO 34a_200012022750_100011216708 [0,1,0,0,0,0|3,0,0]=4 3744 B14R0.394 CC(=O)NCCCCNCCCCCF 2230a_200011368371_100000729378 [0,1,0,0,0,0|3,0,0]=4 3745 B14R0.394 CC(=O)NCCCCNCCCCCF 34a_200011368371_100000729378 [0,1,0,0,0,0|3,0,0]=4 3746 B14R0.394 CC(=O)NCCCCNCCCCCO 2230a_200011368371_100000746330 [0,1,0,0,0,0|3,0,0]=4 3747 B14R0.394 CC(=O)NCCCCNCCCCCO 34a_200011368371_100000746330 [0,1,0,0,0,0|3,0,0]=4 3748 B14R0.394 CC(=O)NCCCNCCCCCCF 34a_100000736810_100015922095 [0,1,0,0,0,0|3,0,0]=4 3749 B14R0.394 CC(=O)NCCCNCCCCCCO 34a_100000736810_100000766143 [0,1,0,0,0,0|3,0,0]=4 3750 B14R0.394 CC(=O)NCCCOCCCCCCF 34a_100000752032_100015922095 [0,1,0,0,0,0|3,0,0]=4 3751 B14R0.394 CC(=O)NCCCOCCCCCCO 34a_100000752032_100000766143 [0,1,0,0,0,0|3,0,0]=4 3752 B14R0.394 CC(=O)NCCNCCCCCCCO 2230a_100000209853_100000760002 [0,1,0,0,0,0|3,0,0]=4 3753 B14R0.394 CC(=O)NCCNCCCCCCCO 2230a_100011996573_100000189650 [0,1,0,0,0,0|3,0,0]=4 3754 B14R0.394 CC(=O)NCCOCCCCCCCBr 7a_100000760002_100000189650 [0,1,0,0,0,0|3,0,0]=4 3755 B14R0.394 CC(=O)NCCOCCCCCCCO 34a_100000158858_100000760002 [0,1,0,0,0,0|3,0,0]=4 3756 B14R0.394 CC(=O)NCCSCCCCCCCO 62a_100000189650_100000760002 [0,1,0,0,0,0|3,0,0]=4 3757 B14R0.394 CC(=O)NCCSCCCCCCCO 62a_100000760002_100000189650 [0,1,0,0,0,0|3,0,0]=4 3758 B14R0.394 CC(=O)OCCCCCNCCCCO 2230a_100000750430_100009813381 [0,1,0,0,0,0|3,0,0]=4 3759 B14R0.394 CC(=O)OCCCCCNCCCCO 34a_100000750430_100000033007 [0,1,0,0,0,0|3,0,0]=4 3760 B14R0.394 CC(=O)OCCCCCOCCCCBr 34a_100011216708_100000033007 [0,1,0,0,0,0|3,0,0]=4 3761 B14R0.394 CC(=O)OCCCCCOCCCCCl 34a_100000210776_100000033007 [0,1,0,0,0,0|3,0,0]=4 3762 B14R0.394 CC(=O)OCCCCCOCCCCCl 7a_100000210776_100000033007 [0,1,0,0,0,0|3,0,0]=4 3763 B14R0.394 CC(=O)OCCCCCOCCCCF 34a_100011995726_100000033007 [0,1,0,0,0,0|3,0,0]=4 3764 B14R0.394 CC(=O)OCCCCCOCCCCF 7a_100011995726_100000033007 [0,1,0,0,0,0|3,0,0]=4 3765 B14R0.394 CC(=O)OCCCCCOCCCCI 34a_200012148704_100000033007 [0,1,0,0,0,0|3,0,0]=4 3766 B14R0.394 CC(=O)OCCCCCOCCCCN 34a_100000750430_100000033007 [0,1,0,0,0,0|3,0,0]=4 3767 B14R0.394 CC(=O)OCCCCCSCCCCF 62a_100000033007_100000729493 [0,1,0,0,0,0|3,0,0]=4 3768 B14R0.394 CC(=O)OCCCCCSCCCCF 62a_100000729493_100000033007 [0,1,0,0,0,0|3,0,0]=4 3769 B14R0.394 CC(=O)OCCCCCSCCCCO 62a_100000033007_100000210776 [0,1,0,0,0,0|3,0,0]=4 3770 B14R0.394 CC(=O)OCCCCCSCCCCO 62a_100000210776_100000033007 [0,1,0,0,0,0|3,0,0]=4 3771 B14R0.394 CC(=O)OCCCCNCCCCCO 34a_100000762737_100000033659 [0,1,0,0,0,0|3,0,0]=4 3772 B14R0.394 CC(=O)OCCCCOCCCCCBr 34a_100000746331_100000033659 [0,1,0,0,0,0|3,0,0]=4 3773 B14R0.394 CC(=O)OCCCCOCCCCCBr 7a_100000746331_100000033659 [0,1,0,0,0,0|3,0,0]=4 3774 B14R0.394 CC(=O)OCCCCOCCCCCCl 34a_100000746330_100000033659 [0,1,0,0,0,0|3,0,0]=4 3775 B14R0.394 CC(=O)OCCCCOCCCCCCl 7a_100000746330_100000033659 [0,1,0,0,0,0|3,0,0]=4 3776 B14R0.394 CC(=O)OCCCCOCCCCCF 34a_100000073216_100000729378 [0,1,0,0,0,0|3,0,0]=4 3777 B14R0.394 CC(=O)OCCCCOCCCCCF 7a_100000073216_100000729378 [0,1,0,0,0,0|3,0,0]=4 3778 B14R0.394 CC(=O)OCCCCOCCCCCI 34a_200012148887_100000033659 [0,1,0,0,0,0|3,0,0]=4 3779 B14R0.394 CC(=O)OCCCCOCCCCCI 7a_200012148887_100000033659 [0,1,0,0,0,0|3,0,0]=4 3780 B14R0.394 CC(=O)OCCCCOCCCCCN 34a_100000762737_100000033659 [0,1,0,0,0,0|3,0,0]=4 3781 B14R0.394 CC(=O)OCCCCOCCCCCO 34a_100000073216_100000746330 [0,1,0,0,0,0|3,0,0]=4 3782 B14R0.394 CC(=O)OCCCCOCCCCCO 7a_100000073216_100000746330 [0,1,0,0,0,0|3,0,0]=4 3783 B14R0.394 CC(=O)OCCCCSCCCCCF 62a_100000033659_100000729378 [0,1,0,0,0,0|3,0,0]=4 3784 B14R0.394 CC(=O)OCCCCSCCCCCF 62a_100000729378_100000033659 [0,1,0,0,0,0|3,0,0]=4 3785 B14R0.394 CC(=O)OCCCCSCCCCCO 62a_100000033659_100000746330 [0,1,0,0,0,0|3,0,0]=4 3786 B14R0.394 CC(=O)OCCCCSCCCCCO 62a_100000746330_100000033659 [0,1,0,0,0,0|3,0,0]=4 3787 B14R0.394 CC(=O)OCCCNCCCCCCO 34a_100000686447_100000042594 [0,1,0,0,0,0|3,0,0]=4 3788 B14R0.394 CC(=O)OCCCOCCCCCCBr 34a_100011215345_100000042594 [0,1,0,0,0,0|3,0,0]=4 3789 B14R0.394 CC(=O)OCCCOCCCCCCBr 7a_100011215345_100000042594 [0,1,0,0,0,0|3,0,0]=4 3790 B14R0.394 CC(=O)OCCCOCCCCCCCl 34a_100000766143_100000042594 [0,1,0,0,0,0|3,0,0]=4 3791 B14R0.394 CC(=O)OCCCOCCCCCCCl 7a_100000766143_100000042594 [0,1,0,0,0,0|3,0,0]=4 3792 B14R0.394 CC(=O)OCCCOCCCCCCF 34a_100000732779_100000042594 [0,1,0,0,0,0|3,0,0]=4 3793 B14R0.394 CC(=O)OCCCOCCCCCCF 7a_100000732779_100000042594 [0,1,0,0,0,0|3,0,0]=4 3794 B14R0.394 CC(=O)OCCCOCCCCCCN 34a_100000686447_100000042594 [0,1,0,0,0,0|3,0,0]=4 3795 B14R0.394 CC(=O)OCCCSCCCCCCF 62a_100000042594_100015922095 [0,1,0,0,0,0|3,0,0]=4 3796 B14R0.394 CC(=O)OCCCSCCCCCCF 62a_100015922095_100000042594 [0,1,0,0,0,0|3,0,0]=4 3797 B14R0.394 CC(=O)OCCCSCCCCCCO 62a_100000042594_100000766143 [0,1,0,0,0,0|3,0,0]=4 3798 B14R0.394 CC(=O)OCCCSCCCCCCO 62a_100000766143_100000042594 [0,1,0,0,0,0|3,0,0]=4 3799 B14R0.394 CC(=O)OCCNCCCCCCCO 34a_100011996573_100009814007 [0,1,0,0,0,0|3,0,0]=4 3800 B14R0.394 CC(=O)OCCOCCCCCCCBr 34a_100000760002_100009814007 [0,1,0,0,0,0|3,0,0]=4 3801 B14R0.394 CC(=O)OCCOCCCCCCCBr 7a_100000760002_100009814007 [0,1,0,0,0,0|3,0,0]=4 3802 B14R0.394 CC(=O)OCCOCCCCCCCN 34a_100011996573_100009814007 [0,1,0,0,0,0|3,0,0]=4 3803 B14R0.394 CC(=O)OCCSCCCCCCCO 62a_100000760002_100009814007 [0,1,0,0,0,0|3,0,0]=4 3804 B14R0.394 CC(=O)OCCSCCCCCCCO 62a_100009814007_100000760002 [0,1,0,0,0,0|3,0,0]=4 3805 B14R0.394 CC(=O)OCNCCCCCCCCO 34a_102515433106_100009813279 [0,1,0,0,0,0|3,0,0]=4 3806 B14R0.394 CC(=O)OCOCCCCCCCCBr 34a_100009813846_100009813279 [0,1,0,0,0,0|3,0,0]=4 3807 B14R0.394 CC(=O)OCOCCCCCCCCCl 34a_100000033203_100009813279 [0,1,0,0,0,0|3,0,0]=4 3808 B14R0.394 CC(=O)OCOCCCCCCCCN 34a_102515433106_100009813279 [0,1,0,0,0,0|3,0,0]=4 3809 B14R0.394 CC(=O)OCSCCCCCCCCO 62a_100000033203_100000076356 [0,1,0,0,0,0|3,0,0]=4 3810 B14R0.394 CC(=O)OCSCCCCCCCCO 62a_100000076356_100000033203 [0,1,0,0,0,0|3,0,0]=4 3811 B14R0.394 CC(=O)SCCCCNCCCCCO 2230a_100000762737_200010402107 [0,1,0,0,0,0|3,0,0]=4 3812 B14R0.394 CC(=O)SCCCCNCCCCCO 34a_100000762737_200010402107 [0,1,0,0,0,0|3,0,0]=4 3813 B14R0.394 CC(=O)SCCCCOCCCCCBr 34a_100000746331_200010402107 [0,1,0,0,0,0|3,0,0]=4 3814 B14R0.394 CC(=O)SCCCCOCCCCCBr 7a_100000746331_200010402107 [0,1,0,0,0,0|3,0,0]=4 3815 B14R0.394 CC(=O)SCCCCOCCCCCCl 34a_100000746330_200010402107 [0,1,0,0,0,0|3,0,0]=4 3816 B14R0.394 CC(=O)SCCCCOCCCCCCl 7a_100000746330_200010402107 [0,1,0,0,0,0|3,0,0]=4 3817 B14R0.394 CC(=O)SCCCCOCCCCCI 34a_200012148887_200010402107 [0,1,0,0,0,0|3,0,0]=4 3818 B14R0.394 CC(=O)SCCCCOCCCCCI 7a_200012148887_200010402107 [0,1,0,0,0,0|3,0,0]=4 3819 B14R0.394 CC(=O)SCCCCOCCCCCN 34a_100000762737_200010402107 [0,1,0,0,0,0|3,0,0]=4 3820 B14R0.394 CC(=O)SCCCCSCCCCCF 62a_100000729378_200010402107 [0,1,0,0,0,0|3,0,0]=4 3821 B14R0.394 CC(=O)SCCCCSCCCCCF 62a_200010402107_100000729378 [0,1,0,0,0,0|3,0,0]=4 3822 B14R0.394 CC(=O)SCCCCSCCCCCO 62a_100000746330_200010402107 [0,1,0,0,0,0|3,0,0]=4 3823 B14R0.394 CC(=O)SCCCCSCCCCCO 62a_200010402107_100000746330 [0,1,0,0,0,0|3,0,0]=4 3824 B14R0.394 CC(=O)SCCCNCCCCCCO 2230a_100000686447_100000038929 [0,1,0,0,0,0|3,0,0]=4 3825 B14R0.394 CC(=O)SCCCNCCCCCCO 34a_100000686447_100000038929 [0,1,0,0,0,0|3,0,0]=4 3826 B14R0.394 CC(=O)SCCCOCCCCCCBr 34a_100011215345_100000038929 [0,1,0,0,0,0|3,0,0]=4 3827 B14R0.394 CC(=O)SCCCOCCCCCCBr 7a_100011215345_100000038929 [0,1,0,0,0,0|3,0,0]=4 3828 B14R0.394 CC(=O)SCCCOCCCCCCCl 34a_100000766143_100000038929 [0,1,0,0,0,0|3,0,0]=4 3829 B14R0.394 CC(=O)SCCCOCCCCCCCl 7a_100000766143_100000038929 [0,1,0,0,0,0|3,0,0]=4 3830 B14R0.394 CC(=O)SCCCOCCCCCCF 34a_100000732779_100000038929 [0,1,0,0,0,0|3,0,0]=4 3831 B14R0.394 CC(=O)SCCCOCCCCCCF 7a_100000732779_100000038929 [0,1,0,0,0,0|3,0,0]=4 3832 B14R0.394 CC(=O)SCCCOCCCCCCN 34a_100000686447_100000038929 [0,1,0,0,0,0|3,0,0]=4 3833 B14R0.394 CC(=O)SCCCSCCCCCCF 62a_100000038929_100015922095 [0,1,0,0,0,0|3,0,0]=4 3834 B14R0.394 CC(=O)SCCCSCCCCCCF 62a_100015922095_100000038929 [0,1,0,0,0,0|3,0,0]=4 3835 B14R0.394 CC(=O)SCCCSCCCCCCO 62a_100000038929_100000766143 [0,1,0,0,0,0|3,0,0]=4 3836 B14R0.394 CC(=O)SCCCSCCCCCCO 62a_100000766143_100000038929 [0,1,0,0,0,0|3,0,0]=4 3837 B14R0.394 CC/C=C/CCCOCCCCC(=O)C 34a_100016287902_100009817362 [0,1,0,0,0,0|1,0,2]=4 3838 B14R0.394 CC/C=C/CCCOCCCCC(=O)C 7a_100016287902_100000735457 [0,1,0,0,0,0|1,0,2]=4 3839 B14R0.394 CC/C=C\CCCCCNCCC(=O)N 269862a_100000740010_100016288537 [0,1,0,0,0,0|1,0,2]=4 3840 B14R0.394 CC/C=C\CCCCCOCCC(=O)C 7a_100016268722_100000053229 [0,1,0,0,0,0|1,0,2]=4 3841 B14R0.394 CC/C=C\CCCCCOCCC(=O)N 34a_100016268722_100000731001 [0,1,0,0,0,0|1,0,2]=4 3842 B14R0.394 CC/C=C\CCCCCOCCC(=O)N 7a_100016268722_100000744528 [0,1,0,0,0,0|1,0,2]=4 3843 B14R0.394 CC/C=C\CCCCOCCCC(=O)C 34a_100016287862_100000685027 [0,1,0,0,0,0|1,0,2]=4 3844 B14R0.394 CC/C=C\CCCCOCCCC(=O)C 7a_100016287862_100011215641 [0,1,0,0,0,0|1,0,2]=4 3845 B14R0.394 CC/C=C\CCCCOCCCC(=O)N 34a_100016287862_100102525003 [0,1,0,0,0,0|1,0,2]=4 3846 B14R0.394 CC/C=C\CCCCOCCCC(=O)N 7a_100016287862_100102525003 [0,1,0,0,0,0|1,0,2]=4 3847 B14R0.394 CC/C=C\CCOCCCCCC(=O)N 34a_100000123541_100015370543 [0,1,0,0,0,0|1,0,2]=4 3848 B14R0.394 CC/C=C\CCOCCCCCC(=O)N 34a_100016288707_100009817443 [0,1,0,0,0,0|1,0,2]=4 3849 B14R0.394 CC/C=C\CCOCCCCCC(=O)N 7a_100000123541_100015370543 [0,1,0,0,0,0|1,0,2]=4 3850 B14R0.394 CC/C=C\CCOCCCCCC(=O)N 7a_100016288707_100009817443 [0,1,0,0,0,0|1,0,2]=4 3851 B14R0.394 CC/C=C\CCOCCCCCC(=O)[O-] 7a_100102619762_100015370543 [0,1,0,0,0,0|1,0,2]=4 3852 B14R0.394 CC/C=C\CCSCCCCCC(=O)N 62a_100009817443_100015370543 [0,1,0,0,0,0|1,0,2]=4 3853 B14R0.394 CC/C=C\CCSCCCCCC(=O)N 62a_100015370543_100009817443 [0,1,0,0,0,0|1,0,2]=4 3854 B14R0.394 CC=CCCCOCCCCCC(=O)N 34a_100020645299_100009817443 [0,1,0,0,0,0|1,0,2]=4 3855 B14R0.394 CCC#CCCCCCCNCC(=O)N 2230a_100000711301_200000036426 [0,1,0,0,0,0|1,0,2]=4 3856 B14R0.394 CCC#CCCCCCCNCC(=O)O 269956a_100016091260_200000036426 [0,1,0,0,0,0|1,0,2]=4 3857 B14R0.394 CCC#CCCCCCCOCC(=O)C 34a_100000211253_200000036426 [0,1,0,0,0,0|1,0,2]=4 3858 B14R0.394 CCC#CCCCCCCSCC(=O)N 62a_100000747473_200000036426 [0,1,0,0,0,0|1,0,2]=4 3859 B14R0.394 CCC#CCCCCCCSCC(=O)N 62a_200000036426_100000747473 [0,1,0,0,0,0|1,0,2]=4 3860 B14R0.394 CCC#CCCCCCCSCC(=O)[O-] 62a_100020667443_200000036426 [0,1,0,0,0,0|1,0,2]=4 3861 B14R0.394 CCC#CCCCCCCSCC(=O)[O-] 62a_200000036426_100020667443 [0,1,0,0,0,0|1,0,2]=4 3862 B14R0.394 CCC#CCCOCCCCCC(=O)N 34a_100000036655_100009817443 [0,1,0,0,0,0|1,0,2]=4 3863 B14R0.394 CCC#CCCOCCCCCC(=O)N 7a_100000036655_100009817443 [0,1,0,0,0,0|1,0,2]=4 3864 B14R0.394 CCC/C=C/COCCCCCC(=O)N 34a_100016278788_100009817443 [0,1,0,0,0,0|1,0,2]=4 3865 B14R0.394 CCC/C=C/COCCCCCC(=O)N 7a_100016278788_100009817443 [0,1,0,0,0,0|1,0,2]=4 3866 B14R0.394 CCCC#CCCOCCCCC(=O)C 34a_100000042726_100009817362 [0,1,0,0,0,0|1,0,2]=4 3867 B14R0.394 CCCC#CCCOCCCCC(=O)C 7a_100000042726_100000735457 [0,1,0,0,0,0|1,0,2]=4 3868 B14R0.394 CCCC#CCOCCCCCC(=O)N 34a_100000034806_100009817443 [0,1,0,0,0,0|1,0,2]=4 3869 B14R0.394 CCCC#CCOCCCCCC(=O)N 7a_100000034806_100009817443 [0,1,0,0,0,0|1,0,2]=4 3870 B14R0.394 CCCC/C=C/CCCCOCC(=O)N 34a_200020645093_100000187820 [0,1,0,0,0,0|1,0,2]=4 3871 B14R0.394 CCCC/C=C/CCCCOCC(=O)N 7a_200020645093_100000187820 [0,1,0,0,0,0|1,0,2]=4 3872 B14R0.394 CCCC/C=C/CCCCOCC(=O)[O-] 34a_200020645093_100020667443 [0,1,0,0,0,0|1,0,2]=4 3873 B14R0.394 CCCC/C=C/COCCCCC(=O)C 34a_200016272032_100009817362 [0,1,0,0,0,0|1,0,2]=4 3874 B14R0.394 CCCC/C=C/COCCCCC(=O)C 7a_200016272032_100000735457 [0,1,0,0,0,0|1,0,2]=4 3875 B14R0.394 CCCC/C=C\CCOCCCC(=O)C 34a_200016286491_100000685027 [0,1,0,0,0,0|1,0,2]=4 3876 B14R0.394 CCCC/C=C\CCOCCCC(=O)C 7a_200016286491_100011215641 [0,1,0,0,0,0|1,0,2]=4 3877 B14R0.394 CCCC/C=C\CCOCCCC(=O)N 34a_200016286491_100102525003 [0,1,0,0,0,0|1,0,2]=4 3878 B14R0.394 CCCC/C=C\CCOCCCC(=O)N 7a_200016286491_100102525003 [0,1,0,0,0,0|1,0,2]=4 3879 B14R0.394 CCCCC#CCCCCCCC(=O)C 1458a_100000070787_200000043322 [0,1,0,0,0,0|1,0,1]=3 3880 B14R0.394 CCCCC#CCCCCOCC(=O)N 34a_200000066234_100000187820 [0,1,0,0,0,0|1,0,2]=4 3881 B14R0.394 CCCCC#CCCCCOCC(=O)N 7a_200000066234_100000187820 [0,1,0,0,0,0|1,0,2]=4 3882 B14R0.394 CCCCC#CCCCCOCC(=O)[O-] 34a_200000066234_100020667443 [0,1,0,0,0,0|1,0,2]=4 3883 B14R0.394 CCCCC#CCCCOCCC(=O)C 34a_100000759926_200000047210 [0,1,0,0,0,0|1,0,2]=4 3884 B14R0.394 CCCCC#CCCCOCCC(=O)C 7a_100000759926_200000047210 [0,1,0,0,0,0|1,0,2]=4 3885 B14R0.394 CCCCC#CCCCOCCC(=O)N 34a_100000757172_200000047210 [0,1,0,0,0,0|1,0,2]=4 3886 B14R0.394 CCCCC#CCCCOCCC(=O)N 7a_100000757172_200000047210 [0,1,0,0,0,0|1,0,2]=4 3887 B14R0.394 CCCCC#CCCCSCCC(=O)C 62a_100000053229_200000047210 [0,1,0,0,0,0|1,0,2]=4 3888 B14R0.394 CCCCC#CCCCSCCC(=O)C 62a_200000047210_100000053229 [0,1,0,0,0,0|1,0,2]=4 3889 B14R0.394 CCCCC#CCCCSCCC(=O)N 62a_100000744528_200000047210 [0,1,0,0,0,0|1,0,2]=4 3890 B14R0.394 CCCCC#CCCCSCCC(=O)N 62a_200000047210_100000744528 [0,1,0,0,0,0|1,0,2]=4 3891 B14R0.394 CCCCC#CCCOCCCC(=O)C 34a_100000037610_100000685027 [0,1,0,0,0,0|1,0,2]=4 3892 B14R0.394 CCCCC#CCCOCCCC(=O)C 7a_100000037610_100011215641 [0,1,0,0,0,0|1,0,2]=4 3893 B14R0.394 CCCCC#CCCOCCCC(=O)N 34a_100000037610_100102525003 [0,1,0,0,0,0|1,0,2]=4 3894 B14R0.394 CCCCC#CCCOCCCC(=O)N 7a_100000037610_100102525003 [0,1,0,0,0,0|1,0,2]=4 3895 B14R0.394 CCCCC#CCOCCCCC(=O)C 34a_200000034558_100009817362 [0,1,0,0,0,0|1,0,2]=4 3896 B14R0.394 CCCCC#CCOCCCCC(=O)C 7a_200000034558_100000735457 [0,1,0,0,0,0|1,0,2]=4 3897 B14R0.394 CCCCC/C=C/COCCCC(=O)C 34a_100016258190_100000685027 [0,1,0,0,0,0|1,0,2]=4 3898 B14R0.394 CCCCC/C=C/COCCCC(=O)C 7a_100016258190_100011215641 [0,1,0,0,0,0|1,0,2]=4 3899 B14R0.394 CCCCC/C=C/COCCCC(=O)N 34a_100016258190_100102525003 [0,1,0,0,0,0|1,0,2]=4 3900 B14R0.394 CCCCC/C=C/COCCCC(=O)N 7a_100016258190_100102525003 [0,1,0,0,0,0|1,0,2]=4 3901 B14R0.394 CCCCC/C=C\CCCOCC(=O)N 34a_100020655193_100000187820 [0,1,0,0,0,0|1,0,2]=4 3902 B14R0.394 CCCCC/C=C\CCCOCC(=O)N 7a_100020655193_100000187820 [0,1,0,0,0,0|1,0,2]=4 3903 B14R0.394 CCCCC/C=C\CCCOCC(=O)[O-] 34a_100020655193_100020667443 [0,1,0,0,0,0|1,0,2]=4 3904 B14R0.394 CCCCC/C=C\CCOCCC(=O)C 7a_100016277358_100000053229 [0,1,0,0,0,0|1,0,2]=4 3905 B14R0.394 CCCCC/C=C\CCOCCC(=O)N 34a_100016277358_100000731001 [0,1,0,0,0,0|1,0,2]=4 3906 B14R0.394 CCCCC/C=C\CCOCCC(=O)N 7a_100016277358_100000744528 [0,1,0,0,0,0|1,0,2]=4 3907 B14R0.394 CCCCCC#CCCOCCC(=O)C 7a_200000042877_100000053229 [0,1,0,0,0,0|1,0,2]=4 3908 B14R0.394 CCCCCC#CCCOCCC(=O)N 34a_200000042877_100000731001 [0,1,0,0,0,0|1,0,2]=4 3909 B14R0.394 CCCCCC#CCCOCCC(=O)N 7a_200000042877_100000744528 [0,1,0,0,0,0|1,0,2]=4 3910 B14R0.394 CCCCCC#CCNCCCC(=O)N 34a_100000739312_100009816472 [0,1,0,0,0,0|1,0,2]=4 3911 B14R0.394 CCCCCC#CCOCCCC(=O)C 34a_100000759063_100009816472 [0,1,0,0,0,0|1,0,2]=4 3912 B14R0.394 CCCCCC#CCOCCCC(=O)C 34a_200000033628_100000685027 [0,1,0,0,0,0|1,0,2]=4 3913 B14R0.394 CCCCCC#CCOCCCC(=O)C 7a_100000759063_100009816472 [0,1,0,0,0,0|1,0,2]=4 3914 B14R0.394 CCCCCC#CCOCCCC(=O)C 7a_200000033628_100011215641 [0,1,0,0,0,0|1,0,2]=4 3915 B14R0.394 CCCCCC#CCOCCCC(=O)N 34a_200000033628_100102525003 [0,1,0,0,0,0|1,0,2]=4 3916 B14R0.394 CCCCCC#CCOCCCC(=O)N 7a_200000033628_100102525003 [0,1,0,0,0,0|1,0,2]=4 3917 B14R0.394 CCCCCC#CCSCCCC(=O)C 62a_100009816472_100011215641 [0,1,0,0,0,0|1,0,2]=4 3918 B14R0.394 CCCCCC#CCSCCCC(=O)C 62a_100011215641_100009816472 [0,1,0,0,0,0|1,0,2]=4 3919 B14R0.394 CCCCCC#CCSCCCC(=O)N 62a_100009816472_100102525003 [0,1,0,0,0,0|1,0,2]=4 3920 B14R0.394 CCCCCC#CCSCCCC(=O)N 62a_100102525003_100009816472 [0,1,0,0,0,0|1,0,2]=4 3921 B14R0.394 CCCCCC/C=C/COCCC(=O)C 7a_200016276170_100000053229 [0,1,0,0,0,0|1,0,2]=4 3922 B14R0.394 CCCCCC/C=C/COCCC(=O)N 34a_200016276170_100000731001 [0,1,0,0,0,0|1,0,2]=4 3923 B14R0.394 CCCCCC/C=C/COCCC(=O)N 7a_200016276170_100000744528 [0,1,0,0,0,0|1,0,2]=4 3924 B14R0.394 CCCCCCC#CCCOCC(=O)N 34a_200000033163_100000187820 [0,1,0,0,0,0|1,0,2]=4 3925 B14R0.394 CCCCCCC#CCCOCC(=O)N 7a_200000033163_100000187820 [0,1,0,0,0,0|1,0,2]=4 3926 B14R0.394 CCCCCCC#CCCOCC(=O)[O-] 34a_200000033163_100020667443 [0,1,0,0,0,0|1,0,2]=4 3927 B14R0.394 CCCCCCC#CCOCCC(=O)C 7a_200000037284_100000053229 [0,1,0,0,0,0|1,0,2]=4 3928 B14R0.394 CCCCCCC#CCOCCC(=O)N 34a_200000037284_100000731001 [0,1,0,0,0,0|1,0,2]=4 3929 B14R0.394 CCCCCCC#CCOCCC(=O)N 7a_200000037284_100000744528 [0,1,0,0,0,0|1,0,2]=4 3930 B14R0.394 CCCCCCCC#CCOCC(=O)N 34a_200000061759_100000187820 [0,1,0,0,0,0|1,0,2]=4 3931 B14R0.394 CCCCCCCC#CCOCC(=O)N 7a_200000061759_100000187820 [0,1,0,0,0,0|1,0,2]=4 3932 B14R0.394 CCCCCCCC#CCOCC(=O)[O-] 34a_200000061759_100020667443 [0,1,0,0,0,0|1,0,2]=4 3933 B14R0.394 CCCCCCCCCC=NNC(=O)C 4a_100000189765_100000210895 [0,1,0,0,0,0|2,0,1]=4 3934 B14R0.394 CCCCCCCCCCCCC(=O)C 1458a_100000070787_100000759014 [0,1,0,0,0,0|1,0,0]=2 3935 B14R0.394 CCCCCCCCCCCCC(=O)C 1458a_100011215791_200000210301 [0,1,0,0,0,0|1,0,0]=2 3936 B14R0.394 CCCCCCCCCCCCC(=O)[13CH3] 1458a_100011215791_200025704644 [0,1,0,0,0,0|1,0,0]=2 3937 B14R0.394 CCCCCCCCCCCCN(C)C 2230a_100000227908_200000210301 [0,1,0,0,0,0|3,0,0]=4 3938 B14R0.394 CCCCCCCCCCCCN(C)C 2230a_100102631434_100011215052 [0,1,0,0,0,0|3,0,0]=4 3939 B14R0.394 CCCCCCCCCCCCN(C)C 269982a_100000227908_200000210301 [0,1,0,0,0,0|3,0,0]=4 3940 B14R0.394 CCCCCCCCCCCCN(C)C 269982a_100102631434_100000759014 [0,1,0,0,0,0|3,0,0]=4 3941 B14R0.394 CCCCCCCCCCCCN(C)C 270004a_100102631434_100011218549 [0,1,0,0,0,0|3,0,0]=4 3942 B14R0.394 CCCCCCCCCCCCN(C)[13CH3] 2230a_100000227908_200025704644 [0,1,0,0,0,0|3,0,0]=4 3943 B14R0.394 CCCCCCCCCCCCN(C)[13CH3] 269982a_100000227908_200025704644 [0,1,0,0,0,0|3,0,0]=4 3944 B14R0.394 CCCCCCCCCCCNC(=O)C 11a_200011215754_100015343762 [0,1,0,0,0,0|1,0,0]=2 3945 B14R0.394 CCCCCCCCCCCNC(=O)C 1626a_200011215754_100015343762 [0,1,0,0,0,0|1,0,0]=2 3946 B14R0.394 CCCCCCCCCCCNC(=O)C 240690a_200011215754_100015343762 [0,1,0,0,0,0|1,0,0]=2 3947 B14R0.394 CCCCCCCCCCCNC(=O)C 527a_200011215754_100103153847 [0,1,0,0,0,0|1,0,0]=2 3948 B14R0.394 CCCCCCCCCCCNC(C)C 2230a_100138425928_100011215454 [0,1,0,0,0,0|2,0,1]=4 3949 B14R0.394 CCCCCCCCCCCNC(C)C 2230a_200011215754_100000210206 [0,1,0,0,0,0|2,0,1]=4 3950 B14R0.394 CCCCCCCCCCCNC(C)C 34a_100138425928_100011215454 [0,1,0,0,0,0|2,0,1]=4 3951 B14R0.394 CCCCCCCCCCCNC(C)C 34a_200011215754_100000210206 [0,1,0,0,0,0|2,0,1]=4 3952 B14R0.394 CCCCCCCCCCCOC(C)C 34a_100000210809_100000210206 [0,1,0,0,0,0|2,0,1]=4 3953 B14R0.394 CCCCCCCCCCCOC(C)C 34a_100000212225_100011215454 [0,1,0,0,0,0|2,0,1]=4 3954 B14R0.394 CCCCCCCCCCCOC(C)C 7a_100000210809_100000210206 [0,1,0,0,0,0|2,0,1]=4 3955 B14R0.394 CCCCCCCCCCNCC(=O)N 2230a_100000684558_100000747473 [0,1,0,0,0,0|1,0,0]=2 3956 B14R0.394 CCCCCCCCCCNCC(=O)N 2230a_100000711301_100000210320 [0,1,0,0,0,0|1,0,0]=2 3957 B14R0.394 CCCCCCCCCCNCC(=O)N 34a_100000684558_100000187820 [0,1,0,0,0,0|1,0,0]=2 3958 B14R0.394 CCCCCCCCCCNCC(=O)O 269956a_100016091260_100000210320 [0,1,0,0,0,0|1,0,0]=2 3959 B14R0.394 CCCCCCCCCCNCC(=O)[O-] 34a_100000684558_100020667443 [0,1,0,0,0,0|1,0,0]=2 3960 B14R0.394 CCCCCCCCCCNCC(C)C 2230a_100000210953_100000210320 [0,1,0,0,0,0|2,0,1]=4 3961 B14R0.394 CCCCCCCCCCNCC(C)C 2230a_100000684558_100000210760 [0,1,0,0,0,0|2,0,1]=4 3962 B14R0.394 CCCCCCCCCCNCC(C)C 270004a_100000684558_100000210432 [0,1,0,0,0,0|2,0,1]=4 3963 B14R0.394 CCCCCCCCCCNCC(C)C 34a_100000210953_100000210320 [0,1,0,0,0,0|2,0,1]=4 3964 B14R0.394 CCCCCCCCCCNCC(C)C 34a_100000684558_100000210624 [0,1,0,0,0,0|2,0,1]=4 3965 B14R0.394 CCCCCCCCCCNCC(C)O 2230a_100000210904_100000210320 [0,1,0,0,0,0|1,0,2]=4 3966 B14R0.394 CCCCCCCCCCNCC(C)O 2230a_100000684558_100011218427 [0,1,0,0,0,0|1,0,2]=4 3967 B14R0.394 CCCCCCCCCCNCC(C)O 34a_100000210904_100000210320 [0,1,0,0,0,0|1,0,2]=4 3968 B14R0.394 CCCCCCCCCCNCC(C)O 34a_100000684558_100011218427 [0,1,0,0,0,0|1,0,2]=4 3969 B14R0.394 CCCCCCCCCCNCC(F)F 2230a_100000684558_100011934356 [0,1,0,0,0,0|1,1,1]=4 3970 B14R0.394 CCCCCCCCCCNCC(F)F 34a_100000684558_100011934356 [0,1,0,0,0,0|1,1,1]=4 3971 B14R0.394 CCCCCCCCCCNCC(F)F 34a_100000765723_100000210320 [0,1,0,0,0,0|1,1,1]=4 3972 B14R0.394 CCCCCCCCCCNC[C@@H](C)O 2230a_100000684558_100009817552 [0,1,0,0,0,0|1,0,2]=4 3973 B14R0.394 CCCCCCCCCCNC[C@@H](C)O 34a_100000684558_100009817552 [0,1,0,0,0,0|1,0,2]=4 3974 B14R0.394 CCCCCCCCCCNC[N+](=O)[O-] 34a_100000684558_100000761209 [0,1,0,0,0,0|2,0,0]=3 3975 B14R0.394 CCCCCCCCCCOCC(=O)C 34a_100000211253_100000210320 [0,1,0,0,0,0|1,0,0]=2 3976 B14R0.394 CCCCCCCCCCOCC(=O)N 34a_100000210711_100000187820 [0,1,0,0,0,0|1,0,0]=2 3977 B14R0.394 CCCCCCCCCCOCC(=O)N 7a_100000210711_100000187820 [0,1,0,0,0,0|1,0,0]=2 3978 B14R0.394 CCCCCCCCCCOCC(=O)[O-] 34a_100000210711_100020667443 [0,1,0,0,0,0|1,0,0]=2 3979 B14R0.394 CCCCCCCCCCOCC(C)Br 34a_100012180447_100000210320 [0,1,0,0,0,0|1,1,1]=4 3980 B14R0.394 CCCCCCCCCCOCC(C)C 34a_100000210257_100000210320 [0,1,0,0,0,0|2,0,1]=4 3981 B14R0.394 CCCCCCCCCCOCC(C)C 34a_100000210711_100000210624 [0,1,0,0,0,0|2,0,1]=4 3982 B14R0.394 CCCCCCCCCCOCC(C)C 7a_100000210711_100000210760 [0,1,0,0,0,0|2,0,1]=4 3983 B14R0.394 CCCCCCCCCCOCC(C)F 34a_100015925927_100000210320 [0,1,0,0,0,0|1,1,1]=4 3984 B14R0.394 CCCCCCCCCCOCC(C)O 34a_100000210711_100011218427 [0,1,0,0,0,0|1,0,2]=4 3985 B14R0.394 CCCCCCCCCCOCC(C)O 7a_100000210711_100011218427 [0,1,0,0,0,0|1,0,2]=4 3986 B14R0.394 CCCCCCCCCCOCC(F)F 34a_100000210711_100011934356 [0,1,0,0,0,0|1,1,1]=4 3987 B14R0.394 CCCCCCCCCCOCC(F)F 34a_100000743014_100000210320 [0,1,0,0,0,0|1,1,1]=4 3988 B14R0.394 CCCCCCCCCCOCC(F)F 7a_100000210711_100011934356 [0,1,0,0,0,0|1,1,1]=4 3989 B14R0.394 CCCCCCCCCCOC[C@@H](C)Cl 34a_100016084084_100000210320 [0,1,0,0,0,0|1,0,1]=3 3990 B14R0.394 CCCCCCCCCCOC[C@@H](C)N 34a_100000737577_100000210320 [0,1,0,0,0,0|2,0,1]=4 3991 B14R0.394 CCCCCCCCCCOC[C@@H](C)O 34a_100000210711_100009817552 [0,1,0,0,0,0|1,0,2]=4 3992 B14R0.394 CCCCCCCCCCOC[C@@H](C)O 7a_100000210711_100009817552 [0,1,0,0,0,0|1,0,2]=4 3993 B14R0.394 CCCCCCCCCCOC[N+](=O)[O-] 34a_100000210711_100000761209 [0,1,0,0,0,0|2,0,0]=3 3994 B14R0.394 CCCCCCCCCCSCC(=O)N 62a_100000747473_100000210320 [0,1,0,0,0,0|1,0,0]=2 3995 B14R0.394 CCCCCCCCCCSCC(=O)[O-] 62a_100020667443_100000210320 [0,1,0,0,0,0|1,0,0]=2 3996 B14R0.394 CCCCCCCCCCSCC(C)O 62a_100011218427_100000210320 [0,1,0,0,0,0|1,0,2]=4 3997 B14R0.394 CCCCCCCCCCSC[C@@H](C)O 62a_100009817552_100000210320 [0,1,0,0,0,0|1,0,2]=4 3998 B14R0.394 CCCCCCCCCNCC=C(C)C 2230a_100000212291_100000761012 [0,1,0,0,0,0|2,0,1]=4 3999 B14R0.394 CCCCCCCCCNCC=C(C)C 34a_100000212291_100000761012 [0,1,0,0,0,0|2,0,1]=4 4000 B14R0.394 CCCCCCCCCNCC=C(C)C 34a_100000718196_100011214924 [0,1,0,0,0,0|2,0,1]=4 4001 B14R0.394 CCCCCCCCCNCCC(=O)N 2230a_100000212291_100000744528 [0,1,0,0,0,0|1,0,0]=2 4002 B14R0.394 CCCCCCCCCNCCC(=O)N 34a_100000212291_100000731001 [0,1,0,0,0,0|1,0,0]=2 4003 B14R0.394 CCCCCCCCCNCCC(C)C 2230a_100000212291_100000210312 [0,1,0,0,0,0|2,0,1]=4 4004 B14R0.394 CCCCCCCCCNCCC(C)C 269862a_100000212291_100000185833 [0,1,0,0,0,0|2,0,1]=4 4005 B14R0.394 CCCCCCCCCNCCC(C)C 34a_100000212291_100000210312 [0,1,0,0,0,0|2,0,1]=4 4006 B14R0.394 CCCCCCCCCNCCC(C)O 2230a_100000212291_100012276601 [0,1,0,0,0,0|1,0,2]=4 4007 B14R0.394 CCCCCCCCCNCCC(C)O 2230a_200000755665_100011214924 [0,1,0,0,0,0|1,0,2]=4 4008 B14R0.394 CCCCCCCCCNCCC(C)O 34a_100000212291_100012276601 [0,1,0,0,0,0|1,0,2]=4 4009 B14R0.394 CCCCCCCCCNCOC(=O)C 34a_100000212291_100009813279 [0,1,0,0,0,0|2,0,0]=3 4010 B14R0.394 CCCCCCCCCNOCC(=O)O 269956a_100000106656_100000210670 [0,1,0,0,0,0|2,0,0]=3 4011 B14R0.394 CCCCCCCCCOCC=C(C)C 34a_100000210712_100000761012 [0,1,0,0,0,0|2,0,1]=4 4012 B14R0.394 CCCCCCCCCOCC=C(C)C 34a_100000753907_100011214924 [0,1,0,0,0,0|2,0,1]=4 4013 B14R0.394 CCCCCCCCCOCC=C(C)C 7a_100000210712_100000761012 [0,1,0,0,0,0|2,0,1]=4 4014 B14R0.394 CCCCCCCCCOCCC(=O)C 34a_100000759926_100011214924 [0,1,0,0,0,0|1,0,0]=2 4015 B14R0.394 CCCCCCCCCOCCC(=O)C 7a_100000210712_100000053229 [0,1,0,0,0,0|1,0,0]=2 4016 B14R0.394 CCCCCCCCCOCCC(=O)C 7a_100000759926_100000210328 [0,1,0,0,0,0|1,0,0]=2 4017 B14R0.394 CCCCCCCCCOCCC(=O)N 34a_100000210712_100000731001 [0,1,0,0,0,0|1,0,0]=2 4018 B14R0.394 CCCCCCCCCOCCC(=O)N 34a_100000757172_100011214924 [0,1,0,0,0,0|1,0,0]=2 4019 B14R0.394 CCCCCCCCCOCCC(=O)N 7a_100000210712_100000744528 [0,1,0,0,0,0|1,0,0]=2 4020 B14R0.394 CCCCCCCCCOCCC(=O)N 7a_100000757172_100000210328 [0,1,0,0,0,0|1,0,0]=2 4021 B14R0.394 CCCCCCCCCOCCC(C)Br 34a_100009893172_100011214924 [0,1,0,0,0,0|1,1,1]=4 4022 B14R0.394 CCCCCCCCCOCCC(C)C 34a_100000210254_100011214924 [0,1,0,0,0,0|2,0,1]=4 4023 B14R0.394 CCCCCCCCCOCCC(C)C 34a_100000210712_100000210312 [0,1,0,0,0,0|2,0,1]=4 4024 B14R0.394 CCCCCCCCCOCCC(C)C 7a_100000210254_100000210328 [0,1,0,0,0,0|2,0,1]=4 4025 B14R0.394 CCCCCCCCCOCCC(C)C 7a_100000210712_100000210626 [0,1,0,0,0,0|2,0,1]=4 4026 B14R0.394 CCCCCCCCCOCCC(C)O 34a_100000210712_100012276601 [0,1,0,0,0,0|1,0,2]=4 4027 B14R0.394 CCCCCCCCCOCCC(C)O 7a_100000210712_100012276601 [0,1,0,0,0,0|1,0,2]=4 4028 B14R0.394 CCCCCCCCCOCCC(F)F 34a_100103093639_100011214924 [0,1,0,0,0,0|1,1,1]=4 4029 B14R0.394 CCCCCCCCCOCCN(C)C 7a_100000210712_100000755713 [0,1,0,0,0,0|3,0,0]=4 4030 B14R0.394 CCCCCCCCCOCC[C@@H](C)N 34a_100000706166_100011214924 [0,1,0,0,0,0|2,0,1]=4 4031 B14R0.394 CCCCCCCCCOCOC(=O)C 34a_100000210712_100009813279 [0,1,0,0,0,0|2,0,0]=3 4032 B14R0.394 CCCCCCCCCSCCC(=O)C 62a_100000053229_100000210670 [0,1,0,0,0,0|1,0,0]=2 4033 B14R0.394 CCCCCCCCCSCCC(=O)N 62a_100000744528_100000210670 [0,1,0,0,0,0|1,0,0]=2 4034 B14R0.394 CCCCCCCCCSCCC(C)O 62a_100012276601_100000210670 [0,1,0,0,0,0|1,0,2]=4 4035 B14R0.394 CCCCCCCCCSCOC(=O)C 62a_100000076356_100000210670 [0,1,0,0,0,0|2,0,0]=3 4036 B14R0.394 CCCCCCCCNCCC=C(C)C 2230a_100000229939_100011217483 [0,1,0,0,0,0|2,0,1]=4 4037 B14R0.394 CCCCCCCCNCCC=C(C)C 34a_100000229939_100011217483 [0,1,0,0,0,0|2,0,1]=4 4038 B14R0.394 CCCCCCCCNCCC=C(F)F 2230a_100000229939_200009816681 [0,1,0,0,0,0|1,1,1]=4 4039 B14R0.394 CCCCCCCCNCCC=C(F)F 34a_100000229939_200009816681 [0,1,0,0,0,0|1,1,1]=4 4040 B14R0.394 CCCCCCCCNCCCC(=O)C 34a_100000229939_100000685027 [0,1,0,0,0,0|1,0,0]=2 4041 B14R0.394 CCCCCCCCNCCCC(=O)N 34a_100000229939_100102525003 [0,1,0,0,0,0|1,0,0]=2 4042 B14R0.394 CCCCCCCCNCCCC(=O)N 34a_100000739312_100000210759 [0,1,0,0,0,0|1,0,0]=2 4043 B14R0.394 CCCCCCCCNCCCC(C)C 2230a_100000229939_100011214892 [0,1,0,0,0,0|2,0,1]=4 4044 B14R0.394 CCCCCCCCNCCCC(C)C 2230a_200000737386_100000210759 [0,1,0,0,0,0|2,0,1]=4 4045 B14R0.394 CCCCCCCCNCCCC(C)C 34a_100000229939_100011214892 [0,1,0,0,0,0|2,0,1]=4 4046 B14R0.394 CCCCCCCCNCCCC(C)C 34a_200000737386_100000210759 [0,1,0,0,0,0|2,0,1]=4 4047 B14R0.394 CCCCCCCCNCCCC(C)O 2230a_100000229939_200000718107 [0,1,0,0,0,0|1,0,2]=4 4048 B14R0.394 CCCCCCCCNCCCC(C)O 34a_100000229939_200000718107 [0,1,0,0,0,0|1,0,2]=4 4049 B14R0.394 CCCCCCCCNCCCS(=O)C 2230a_200000753449_100000210759 [0,1,0,0,0,0|2,0,0]=3 4050 B14R0.394 CCCCCCCCNCCNC(=O)C 2230a_100000209853_100000210759 [0,1,0,0,0,0|2,0,0]=3 4051 B14R0.394 CCCCCCCCNCCNC(=O)C 2230a_100000229939_100000189650 [0,1,0,0,0,0|2,0,0]=3 4052 B14R0.394 CCCCCCCCNCCNC(=O)N 2230a_100000229939_200000034859 [0,1,0,0,0,0|2,0,0]=3 4053 B14R0.394 CCCCCCCCNCCNC(=O)N 34a_100020590234_100000210759 [0,1,0,0,0,0|2,0,0]=3 4054 B14R0.394 CCCCCCCCNCCOC(=O)C 34a_100000229939_100009814007 [0,1,0,0,0,0|2,0,0]=3 4055 B14R0.394 CCCCCCCCNCCOC(=O)N 34a_100000229939_200011214921 [0,1,0,0,0,0|2,0,0]=3 4056 B14R0.394 CCCCCCCCOCCC=C(C)C 34a_100000210232_100011217483 [0,1,0,0,0,0|2,0,1]=4 4057 B14R0.394 CCCCCCCCOCCC=C(C)C 7a_100000210232_100011217483 [0,1,0,0,0,0|2,0,1]=4 4058 B14R0.394 CCCCCCCCOCCC=C(F)F 34a_100000210232_200009816681 [0,1,0,0,0,0|1,1,1]=4 4059 B14R0.394 CCCCCCCCOCCC=C(F)F 7a_100000210232_200009816681 [0,1,0,0,0,0|1,1,1]=4 4060 B14R0.394 CCCCCCCCOCCCC(=O)C 34a_100000210232_100000685027 [0,1,0,0,0,0|1,0,0]=2 4061 B14R0.394 CCCCCCCCOCCCC(=O)C 34a_100000759063_100000210759 [0,1,0,0,0,0|1,0,0]=2 4062 B14R0.394 CCCCCCCCOCCCC(=O)C 7a_100000210232_100011215641 [0,1,0,0,0,0|1,0,0]=2 4063 B14R0.394 CCCCCCCCOCCCC(=O)C 7a_100000759063_100000210759 [0,1,0,0,0,0|1,0,0]=2 4064 B14R0.394 CCCCCCCCOCCCC(=O)N 34a_100000210232_100102525003 [0,1,0,0,0,0|1,0,0]=2 4065 B14R0.394 CCCCCCCCOCCCC(=O)N 7a_100000210232_100102525003 [0,1,0,0,0,0|1,0,0]=2 4066 B14R0.394 CCCCCCCCOCCCC(C)C 34a_100000210232_100011214892 [0,1,0,0,0,0|2,0,1]=4 4067 B14R0.394 CCCCCCCCOCCCC(C)C 34a_100000210774_100000210759 [0,1,0,0,0,0|2,0,1]=4 4068 B14R0.394 CCCCCCCCOCCCC(C)C 7a_100000210232_100011214892 [0,1,0,0,0,0|2,0,1]=4 4069 B14R0.394 CCCCCCCCOCCCC(C)C 7a_100000210774_100000210759 [0,1,0,0,0,0|2,0,1]=4 4070 B14R0.394 CCCCCCCCOCCCC(C)O 34a_100000210232_200000718107 [0,1,0,0,0,0|1,0,2]=4 4071 B14R0.394 CCCCCCCCOCCCC(C)O 7a_100000210232_200000718107 [0,1,0,0,0,0|1,0,2]=4 4072 B14R0.394 CCCCCCCCOCCCN(C)C 7a_100000210232_100000757444 [0,1,0,0,0,0|3,0,0]=4 4073 B14R0.394 CCCCCCCCOCCC[N+](=O)[O-] 34a_200000037920_100000210759 [0,1,0,0,0,0|2,0,0]=3 4074 B14R0.394 CCCCCCCCOCCNC(=O)C 34a_100000158858_100000210759 [0,1,0,0,0,0|2,0,0]=3 4075 B14R0.394 CCCCCCCCOCCNC(=O)C 7a_100000210232_100000189650 [0,1,0,0,0,0|2,0,0]=3 4076 B14R0.394 CCCCCCCCOCCNC(=O)N 34a_100000181757_100000210759 [0,1,0,0,0,0|2,0,0]=3 4077 B14R0.394 CCCCCCCCOCCNC(=O)N 7a_100000210232_200000034859 [0,1,0,0,0,0|2,0,0]=3 4078 B14R0.394 CCCCCCCCOCCOC(=O)C 34a_100000210232_100009814007 [0,1,0,0,0,0|2,0,0]=3 4079 B14R0.394 CCCCCCCCOCCOC(=O)C 7a_100000210232_100009814007 [0,1,0,0,0,0|2,0,0]=3 4080 B14R0.394 CCCCCCCCOCCOC(=O)N 34a_100000210232_200011214921 [0,1,0,0,0,0|2,0,0]=3 4081 B14R0.394 CCCCCCCCOCCOC(=O)N 7a_100000210232_200011214921 [0,1,0,0,0,0|2,0,0]=3 4082 B14R0.394 CCCCCCCCOCCOC(=O)N 7a_100000766696_100000210759 [0,1,0,0,0,0|2,0,0]=3 4083 B14R0.394 CCCCCCCCSCCCC(=O)C 62a_100000210759_100011215641 [0,1,0,0,0,0|1,0,0]=2 4084 B14R0.394 CCCCCCCCSCCCC(=O)C 62a_100011215641_100000210317 [0,1,0,0,0,0|1,0,0]=2 4085 B14R0.394 CCCCCCCCSCCCC(=O)N 62a_100000210759_100102525003 [0,1,0,0,0,0|1,0,0]=2 4086 B14R0.394 CCCCCCCCSCCCC(=O)N 62a_100102525003_100000210317 [0,1,0,0,0,0|1,0,0]=2 4087 B14R0.394 CCCCCCCCSCCCC(C)O 62a_100000210759_200000718107 [0,1,0,0,0,0|1,0,2]=4 4088 B14R0.394 CCCCCCCCSCCCC(C)O 62a_200000718107_100000210317 [0,1,0,0,0,0|1,0,2]=4 4089 B14R0.394 CCCCCCCCSCCCN(C)C 62a_100000210759_100000757444 [0,1,0,0,0,0|3,0,0]=4 4090 B14R0.394 CCCCCCCCSCCNC(=O)C 62a_100000189650_100000210317 [0,1,0,0,0,0|2,0,0]=3 4091 B14R0.394 CCCCCCCCSCCNC(=O)C 62a_100000210759_100000189650 [0,1,0,0,0,0|2,0,0]=3 4092 B14R0.394 CCCCCCCCSCCNC(=O)N 62a_100000210759_200000034859 [0,1,0,0,0,0|2,0,0]=3 4093 B14R0.394 CCCCCCCCSCCNC(=O)N 62a_200000034859_100000210317 [0,1,0,0,0,0|2,0,0]=3 4094 B14R0.394 CCCCCCCCSCCOC(=O)C 62a_100000210759_100009814007 [0,1,0,0,0,0|2,0,0]=3 4095 B14R0.394 CCCCCCCCSCCOC(=O)C 62a_100009814007_100000210317 [0,1,0,0,0,0|2,0,0]=3 4096 B14R0.394 CCCCCCCCSCCOC(=O)N 62a_100000210759_200011214921 [0,1,0,0,0,0|2,0,0]=3 4097 B14R0.394 CCCCCCCCSCCOC(=O)N 62a_200011214921_100000210317 [0,1,0,0,0,0|2,0,0]=3 4098 B14R0.394 CCCCCCCNCCCCB(O)O 2230a_100000229938_200009817182 [0,1,0,0,0,0|2,0,1]=4 4099 B14R0.394 CCCCCCCNCCCCC(=O)N 34a_100000696515_100000210614 [0,1,0,0,0,0|1,0,0]=2 4100 B14R0.394 CCCCCCCNCCCCC(C)C 2230a_100000229938_100011216152 [0,1,0,0,0,0|2,0,1]=4 4101 B14R0.394 CCCCCCCNCCCNC(=O)C 34a_100000736810_100000210614 [0,1,0,0,0,0|2,0,0]=3 4102 B14R0.394 CCCCCCCNCCCOC(=S)C 2230a_100000229938_200135323944 [0,1,0,0,0,0|2,1,0]=4 4103 B14R0.394 CCCCCCCNCCCSC(=O)C 2230a_100000229938_100000038929 [0,1,0,0,0,0|2,0,0]=3 4104 B14R0.394 CCCCCCCNCCOCC(=O)N 2230a_100000229938_100000076697 [0,1,0,0,0,0|2,0,0]=3 4105 B14R0.394 CCCCCCCNCCOCC(=O)O 269956a_100000700818_100000210614 [0,1,0,0,0,0|2,0,0]=3 4106 B14R0.394 CCCCCCCOCCCCB(O)O 34a_100000210272_200009817182 [0,1,0,0,0,0|2,0,1]=4 4107 B14R0.394 CCCCCCCOCCCCB(O)O 7a_100000210272_200009817182 [0,1,0,0,0,0|2,0,1]=4 4108 B14R0.394 CCCCCCCOCCCCC(=O)C 34a_100000210272_100009817362 [0,1,0,0,0,0|1,0,0]=2 4109 B14R0.394 CCCCCCCOCCCCC(=O)C 7a_100000210272_100000735457 [0,1,0,0,0,0|1,0,0]=2 4110 B14R0.394 CCCCCCCOCCCCC(=O)N 34a_100012022536_100000210614 [0,1,0,0,0,0|1,0,0]=2 4111 B14R0.394 CCCCCCCOCCCCC(=O)N 7a_100012022536_100000210614 [0,1,0,0,0,0|1,0,0]=2 4112 B14R0.394 CCCCCCCOCCCCC(C)C 34a_100000210272_100011216152 [0,1,0,0,0,0|2,0,1]=4 4113 B14R0.394 CCCCCCCOCCCCC(C)C 34a_100011214890_100000210614 [0,1,0,0,0,0|2,0,1]=4 4114 B14R0.394 CCCCCCCOCCCCC(C)C 7a_100000210272_100011216152 [0,1,0,0,0,0|2,0,1]=4 4115 B14R0.394 CCCCCCCOCCCCC(C)C 7a_100011214890_100000210614 [0,1,0,0,0,0|2,0,1]=4 4116 B14R0.394 CCCCCCCOCCCC[N+](=O)[O-] 34a_200015379883_100000210614 [0,1,0,0,0,0|2,0,0]=3 4117 B14R0.394 CCCCCCCOCCCC[N+](=O)[O-] 7a_200015379883_100000210614 [0,1,0,0,0,0|2,0,0]=3 4118 B14R0.394 CCCCCCCOCCCNC(=O)C 34a_100000752032_100000210614 [0,1,0,0,0,0|2,0,0]=3 4119 B14R0.394 CCCCCCCOCCCOC(=O)C 34a_100000210272_100000042594 [0,1,0,0,0,0|2,0,0]=3 4120 B14R0.394 CCCCCCCOCCCOC(=O)C 7a_100000210272_100000042594 [0,1,0,0,0,0|2,0,0]=3 4121 B14R0.394 CCCCCCCOCCCOC(=S)C 34a_100000210272_200135323944 [0,1,0,0,0,0|2,1,0]=4 4122 B14R0.394 CCCCCCCOCCCOC(=S)C 7a_100000210272_200135323944 [0,1,0,0,0,0|2,1,0]=4 4123 B14R0.394 CCCCCCCOCCCSC(=O)C 34a_100000210272_100000038929 [0,1,0,0,0,0|2,0,0]=3 4124 B14R0.394 CCCCCCCOCCCSC(=O)C 7a_100000210272_100000038929 [0,1,0,0,0,0|2,0,0]=3 4125 B14R0.394 CCCCCCCOCCOCC(=O)N 34a_100000210272_100000076697 [0,1,0,0,0,0|2,0,0]=3 4126 B14R0.394 CCCCCCCOCCOCC(=O)N 7a_100000210272_100000076697 [0,1,0,0,0,0|2,0,0]=3 4127 B14R0.394 CCCCCCCSCCCCB(O)O 62a_100000210614_200009817182 [0,1,0,0,0,0|2,0,1]=4 4128 B14R0.394 CCCCCCCSCCCCB(O)O 62a_200009817182_100000210316 [0,1,0,0,0,0|2,0,1]=4 4129 B14R0.394 CCCCCCCSCCCCC(=O)C 62a_100000210614_100000735457 [0,1,0,0,0,0|1,0,0]=2 4130 B14R0.394 CCCCCCCSCCCCC(=O)C 62a_100000735457_100000210316 [0,1,0,0,0,0|1,0,0]=2 4131 B14R0.394 CCCCCCCSCCCCN(C)C 62a_100000210614_100000690147 [0,1,0,0,0,0|3,0,0]=4 4132 B14R0.394 CCCCCCCSCCCOC(=O)C 62a_100000042594_100000210316 [0,1,0,0,0,0|2,0,0]=3 4133 B14R0.394 CCCCCCCSCCCOC(=O)C 62a_100000210614_100000042594 [0,1,0,0,0,0|2,0,0]=3 4134 B14R0.394 CCCCCCCSCCCOC(=S)C 62a_100000210614_200135323944 [0,1,0,0,0,0|2,1,0]=4 4135 B14R0.394 CCCCCCCSCCCOC(=S)C 62a_200135323944_100000210316 [0,1,0,0,0,0|2,1,0]=4 4136 B14R0.394 CCCCCCCSCCCSC(=O)C 62a_100000038929_100000210316 [0,1,0,0,0,0|2,0,0]=3 4137 B14R0.394 CCCCCCCSCCCSC(=O)C 62a_100000210614_100000038929 [0,1,0,0,0,0|2,0,0]=3 4138 B14R0.394 CCCCCCCSCCOCC(=O)N 62a_100000076697_100000210316 [0,1,0,0,0,0|2,0,0]=3 4139 B14R0.394 CCCCCCCSCCOCC(=O)N 62a_100000210614_100000076697 [0,1,0,0,0,0|2,0,0]=3 4140 B14R0.394 CCCCCCNCCCCCB(O)O 2230a_100000210581_200009817188 [0,1,0,0,0,0|2,0,1]=4 4141 B14R0.394 CCCCCCNCCCCCC(=O)N 2230a_100000210581_100009817443 [0,1,0,0,0,0|1,0,0]=2 4142 B14R0.394 CCCCCCNCCCCCC(C)C 2230a_100000210581_100000210682 [0,1,0,0,0,0|2,0,1]=4 4143 B14R0.394 CCCCCCNCCCCCC(C)C 2230a_100011290863_100000210314 [0,1,0,0,0,0|2,0,1]=4 4144 B14R0.394 CCCCCCNCCCCCC(C)C 34a_100011290863_100000210314 [0,1,0,0,0,0|2,0,1]=4 4145 B14R0.394 CCCCCCNCCCCNC(=O)C 2230a_200011368371_100000210314 [0,1,0,0,0,0|2,0,0]=3 4146 B14R0.394 CCCCCCNCCCCNC(=O)C 34a_200011368371_100000210314 [0,1,0,0,0,0|2,0,0]=3 4147 B14R0.394 CCCCCCNCCCCSC(=O)C 2230a_100000210581_200010402107 [0,1,0,0,0,0|2,0,0]=3 4148 B14R0.394 CCCCCCOCCCCCB(O)O 34a_100000210259_200009817188 [0,1,0,0,0,0|2,0,1]=4 4149 B14R0.394 CCCCCCOCCCCCB(O)O 7a_100000210259_200009817188 [0,1,0,0,0,0|2,0,1]=4 4150 B14R0.394 CCCCCCOCCCCCC(=O)N 34a_100000123541_100000210314 [0,1,0,0,0,0|1,0,0]=2 4151 B14R0.394 CCCCCCOCCCCCC(=O)N 34a_100000210259_100009817443 [0,1,0,0,0,0|1,0,0]=2 4152 B14R0.394 CCCCCCOCCCCCC(=O)N 7a_100000123541_100000210314 [0,1,0,0,0,0|1,0,0]=2 4153 B14R0.394 CCCCCCOCCCCCC(=O)N 7a_100000210259_100009817443 [0,1,0,0,0,0|1,0,0]=2 4154 B14R0.394 CCCCCCOCCCCCC(=O)[O-] 7a_100102619762_100000210314 [0,1,0,0,0,0|1,0,0]=2 4155 B14R0.394 CCCCCCOCCCCCC(C)C 34a_100000210259_100000210682 [0,1,0,0,0,0|2,0,1]=4 4156 B14R0.394 CCCCCCOCCCCCC(C)C 34a_100011995859_100000210314 [0,1,0,0,0,0|2,0,1]=4 4157 B14R0.394 CCCCCCOCCCCCC(C)C 7a_100000210259_100000210682 [0,1,0,0,0,0|2,0,1]=4 4158 B14R0.394 CCCCCCOCCCCCC(C)C 7a_100011995859_100000210314 [0,1,0,0,0,0|2,0,1]=4 4159 B14R0.394 CCCCCCOCCCCOC(=O)C 34a_100000073216_100000210314 [0,1,0,0,0,0|2,0,0]=3 4160 B14R0.394 CCCCCCOCCCCOC(=O)C 34a_100000210259_100000033659 [0,1,0,0,0,0|2,0,0]=3 4161 B14R0.394 CCCCCCOCCCCOC(=O)C 7a_100000073216_100000210314 [0,1,0,0,0,0|2,0,0]=3 4162 B14R0.394 CCCCCCOCCCCOC(=O)C 7a_100000210259_100000033659 [0,1,0,0,0,0|2,0,0]=3 4163 B14R0.394 CCCCCCOCCCCO[N+](=O)[O-] 34a_100000210259_100015694321 [0,1,0,0,0,0|3,0,0]=4 4164 B14R0.394 CCCCCCOCCCCO[N+](=O)[O-] 7a_100000210259_100015694321 [0,1,0,0,0,0|3,0,0]=4 4165 B14R0.394 CCCCCCOCCCCSC(=O)C 34a_100000210259_200010402107 [0,1,0,0,0,0|2,0,0]=3 4166 B14R0.394 CCCCCCOCCCCSC(=O)C 7a_100000210259_200010402107 [0,1,0,0,0,0|2,0,0]=3 4167 B14R0.394 CCCCCCOCCOCCC(=O)C 7a_100000691444_100000053229 [0,1,0,0,0,0|2,0,0]=3 4168 B14R0.394 CCCCCCOCCOCCC(=O)N 34a_100000691444_100000731001 [0,1,0,0,0,0|2,0,0]=3 4169 B14R0.394 CCCCCCOCCOCCC(=O)N 7a_100000691444_100000744528 [0,1,0,0,0,0|2,0,0]=3 4170 B14R0.394 CCCCCCOCCOCOC(=O)C 34a_100000691444_100009813279 [0,1,0,0,0,0|3,0,0]=4 4171 B14R0.394 CCCCCCOCOCCOC(=O)C 34a_100000210259_100000076355 [0,1,0,0,0,0|3,0,0]=4 4172 B14R0.394 CCCCCCSCCCCCB(O)O 62a_100000210314_200009817188 [0,1,0,0,0,0|2,0,1]=4 4173 B14R0.394 CCCCCCSCCCCCB(O)O 62a_200009817188_100000210757 [0,1,0,0,0,0|2,0,1]=4 4174 B14R0.394 CCCCCCSCCCCCC(=O)N 62a_100000210314_100009817443 [0,1,0,0,0,0|1,0,0]=2 4175 B14R0.394 CCCCCCSCCCCCC(=O)N 62a_100009817443_100000210757 [0,1,0,0,0,0|1,0,0]=2 4176 B14R0.394 CCCCCCSCCCCOC(=O)C 62a_100000033659_100000210757 [0,1,0,0,0,0|2,0,0]=3 4177 B14R0.394 CCCCCCSCCCCOC(=O)C 62a_100000210314_100000033659 [0,1,0,0,0,0|2,0,0]=3 4178 B14R0.394 CCCCCCSCCCCO[N+](=O)[O-] 62a_100000210314_100015694321 [0,1,0,0,0,0|3,0,0]=4 4179 B14R0.394 CCCCCCSCCCCSC(=O)C 62a_100000210314_200010402107 [0,1,0,0,0,0|2,0,0]=3 4180 B14R0.394 CCCCCCSCCCCSC(=O)C 62a_200010402107_100000210757 [0,1,0,0,0,0|2,0,0]=3 4181 B14R0.394 CCCCCCSCOCCOC(=O)C 62a_100000076355_100000210757 [0,1,0,0,0,0|3,0,0]=4 4182 B14R0.394 CCCCCCSCOCCOC(=O)C 62a_100000210314_100000076355 [0,1,0,0,0,0|3,0,0]=4 4183 B14R0.394 CCCCCNCCCCCCB(O)O 2230a_100000209983_100009817187 [0,1,0,0,0,0|2,0,1]=4 4184 B14R0.394 CCCCCNCCCCCCC(C)C 2230a_100000211014_100000210326 [0,1,0,0,0,0|2,0,1]=4 4185 B14R0.394 CCCCCNCCCCCCC(C)C 34a_100000211014_100000718602 [0,1,0,0,0,0|2,0,1]=4 4186 B14R0.394 CCCCCNCCCCCNC(=O)C 2230a_200012022750_100000210326 [0,1,0,0,0,0|2,0,0]=3 4187 B14R0.394 CCCCCNCCCCCNC(=O)C 34a_200012022750_100000718602 [0,1,0,0,0,0|2,0,0]=3 4188 B14R0.394 CCCCCNCCCCCOC(=O)C 2230a_100000209983_100009813381 [0,1,0,0,0,0|2,0,0]=3 4189 B14R0.394 CCCCCNCCOCCCC(=O)C 34a_100000224656_100000685027 [0,1,0,0,0,0|2,0,0]=3 4190 B14R0.394 CCCCCNCCOCCCC(=O)N 34a_100000224656_100102525003 [0,1,0,0,0,0|2,0,0]=3 4191 B14R0.394 CCCCCNCCOCCOC(=O)C 2230a_100000209983_200000083610 [0,1,0,0,0,0|3,0,0]=4 4192 B14R0.394 CCCCCNCCOCCOC(=O)C 34a_100000224656_100009814007 [0,1,0,0,0,0|3,0,0]=4 4193 B14R0.394 CCCCCNCCOCCOC(=O)N 34a_100000224656_200011214921 [0,1,0,0,0,0|3,0,0]=4 4194 B14R0.394 CCCCCOCCCCCCB(O)O 34a_100000210253_100009817187 [0,1,0,0,0,0|2,0,1]=4 4195 B14R0.394 CCCCCOCCCCCCB(O)O 7a_100000210253_100009817187 [0,1,0,0,0,0|2,0,1]=4 4196 B14R0.394 CCCCCOCCCCCOC(=O)C 34a_100000210253_100000033007 [0,1,0,0,0,0|2,0,0]=3 4197 B14R0.394 CCCCCOCCCCCOC(=O)C 7a_100000210253_100000033007 [0,1,0,0,0,0|2,0,0]=3 4198 B14R0.394 CCCCCOCCOCCCC(=O)C 34a_100011215259_100000685027 [0,1,0,0,0,0|2,0,0]=3 4199 B14R0.394 CCCCCOCCOCCCC(=O)C 7a_100011215259_100011215641 [0,1,0,0,0,0|2,0,0]=3 4200 B14R0.394 CCCCCOCCOCCCC(=O)N 34a_100011215259_100102525003 [0,1,0,0,0,0|2,0,0]=3 4201 B14R0.394 CCCCCOCCOCCCC(=O)N 7a_100011215259_100102525003 [0,1,0,0,0,0|2,0,0]=3 4202 B14R0.394 CCCCCOCCOCCNC(=O)C 7a_100011215259_100000189650 [0,1,0,0,0,0|3,0,0]=4 4203 B14R0.394 CCCCCOCCOCCNC(=O)N 7a_100011215259_200000034859 [0,1,0,0,0,0|3,0,0]=4 4204 B14R0.394 CCCCCOCCOCCOC(=O)C 34a_100000210253_200000083610 [0,1,0,0,0,0|3,0,0]=4 4205 B14R0.394 CCCCCOCCOCCOC(=O)C 34a_100011215259_100009814007 [0,1,0,0,0,0|3,0,0]=4 4206 B14R0.394 CCCCCOCCOCCOC(=O)C 7a_100000210253_200000083610 [0,1,0,0,0,0|3,0,0]=4 4207 B14R0.394 CCCCCOCCOCCOC(=O)C 7a_100011215259_100009814007 [0,1,0,0,0,0|3,0,0]=4 4208 B14R0.394 CCCCCOCCOCCOC(=O)N 34a_100011215259_200011214921 [0,1,0,0,0,0|3,0,0]=4 4209 B14R0.394 CCCCCOCCOCCOC(=O)N 7a_100011215259_200011214921 [0,1,0,0,0,0|3,0,0]=4 4210 B14R0.394 CCCCCSCCCCCCB(O)O 62a_100000210326_100009817187 [0,1,0,0,0,0|2,0,1]=4 4211 B14R0.394 CCCCCSCCCCCCB(O)O 62a_100009817187_100000210326 [0,1,0,0,0,0|2,0,1]=4 4212 B14R0.394 CCCCCSCCCCCOC(=O)C 62a_100000033007_100000210326 [0,1,0,0,0,0|2,0,0]=3 4213 B14R0.394 CCCCCSCCCCCOC(=O)C 62a_100000210326_100000033007 [0,1,0,0,0,0|2,0,0]=3 4214 B14R0.394 CCCCCSCCOCCOC(=O)C 62a_100000210326_200000083610 [0,1,0,0,0,0|3,0,0]=4 4215 B14R0.394 CCCCCSCCOCCOC(=O)C 62a_200000083610_100000210326 [0,1,0,0,0,0|3,0,0]=4 4216 B14R0.394 CCCCNCCCCCCNC(=O)C 2230a_200011996284_100000210211 [0,1,0,0,0,0|2,0,0]=3 4217 B14R0.394 CCCCNCCCCCCNC(=O)C 34a_200011996284_100000210210 [0,1,0,0,0,0|2,0,0]=3 4218 B14R0.394 CCCCNCCCCOCCC(=O)N 34a_200011216965_100000731001 [0,1,0,0,0,0|2,0,0]=3 4219 B14R0.394 CCCCNCCCCOCOC(=O)C 34a_200011216965_100009813279 [0,1,0,0,0,0|3,0,0]=4 4220 B14R0.394 CCCCNCCOCCOCC(=O)O 269956a_100009854275_100000210211 [0,1,0,0,0,0|3,0,0]=4 4221 B14R0.394 CCCCOCCCCCCCC(C)C 34a_200000210741_100000210210 [0,1,0,0,0,0|2,0,1]=4 4222 B14R0.394 CCCCOCCCCCCCC(C)C 7a_200000210741_100000210211 [0,1,0,0,0,0|2,0,1]=4 4223 B14R0.394 CCCCOCCCCOCCC(=O)C 7a_200000760531_100000053229 [0,1,0,0,0,0|2,0,0]=3 4224 B14R0.394 CCCCOCCCCOCCC(=O)N 34a_200000760531_100000731001 [0,1,0,0,0,0|2,0,0]=3 4225 B14R0.394 CCCCOCCCCOCCC(=O)N 7a_200000760531_100000744528 [0,1,0,0,0,0|2,0,0]=3 4226 B14R0.394 CCCCOCCCCOCOC(=O)C 34a_200000760531_100009813279 [0,1,0,0,0,0|3,0,0]=4 4227 B14R0.394 CCCCOCCCNCCCC(=O)C 34a_200000211371_100000685027 [0,1,0,0,0,0|2,0,0]=3 4228 B14R0.394 CCCCOCCCNCCCC(=O)N 34a_200000211371_100102525003 [0,1,0,0,0,0|2,0,0]=3 4229 B14R0.394 CCCCOCCCNCCNC(=O)C 2230a_200000211371_100000189650 [0,1,0,0,0,0|3,0,0]=4 4230 B14R0.394 CCCCOCCCNCCNC(=O)N 2230a_200000211371_200000034859 [0,1,0,0,0,0|3,0,0]=4 4231 B14R0.394 CCCCOCCCNCCOC(=O)C 34a_200000211371_100009814007 [0,1,0,0,0,0|3,0,0]=4 4232 B14R0.394 CCCCOCCCNCCOC(=O)N 34a_200000211371_200011214921 [0,1,0,0,0,0|3,0,0]=4 4233 B14R0.394 CCCCOCCCOCCCC(=O)C 34a_200011215613_100000685027 [0,1,0,0,0,0|2,0,0]=3 4234 B14R0.394 CCCCOCCCOCCCC(=O)C 7a_200011215613_100011215641 [0,1,0,0,0,0|2,0,0]=3 4235 B14R0.394 CCCCOCCCOCCCC(=O)N 34a_200011215613_100102525003 [0,1,0,0,0,0|2,0,0]=3 4236 B14R0.394 CCCCOCCCOCCCC(=O)N 7a_200011215613_100102525003 [0,1,0,0,0,0|2,0,0]=3 4237 B14R0.394 CCCCOCCCOCCNC(=O)C 7a_200011215613_100000189650 [0,1,0,0,0,0|3,0,0]=4 4238 B14R0.394 CCCCOCCCOCCNC(=O)N 7a_200011215613_200000034859 [0,1,0,0,0,0|3,0,0]=4 4239 B14R0.394 CCCCOCCCOCCOC(=O)C 34a_200011215613_100009814007 [0,1,0,0,0,0|3,0,0]=4 4240 B14R0.394 CCCCOCCCOCCOC(=O)C 7a_200011215613_100009814007 [0,1,0,0,0,0|3,0,0]=4 4241 B14R0.394 CCCCOCCCOCCOC(=O)N 34a_200011215613_200011214921 [0,1,0,0,0,0|3,0,0]=4 4242 B14R0.394 CCCCOCCCOCCOC(=O)N 7a_200011215613_200011214921 [0,1,0,0,0,0|3,0,0]=4 4243 B14R0.394 CCCCOCCNCCCCC(=O)N 34a_100000696515_100000743108 [0,1,0,0,0,0|2,0,0]=3 4244 B14R0.394 CCCCOCCNCCCNC(=O)C 34a_100000736810_100000743108 [0,1,0,0,0,0|3,0,0]=4 4245 B14R0.394 CCCCOCCNCCOCC(=O)O 269956a_100000700818_100000743108 [0,1,0,0,0,0|3,0,0]=4 4246 B14R0.394 CCCCOCCOCCCCC(=O)C 34a_100000210238_100009817362 [0,1,0,0,0,0|2,0,0]=3 4247 B14R0.394 CCCCOCCOCCCCC(=O)C 7a_100000210238_100000735457 [0,1,0,0,0,0|2,0,0]=3 4248 B14R0.394 CCCCOCCOCCCCC(=O)N 34a_100012022536_100000743108 [0,1,0,0,0,0|2,0,0]=3 4249 B14R0.394 CCCCOCCOCCCCC(=O)N 7a_100012022536_100000743108 [0,1,0,0,0,0|2,0,0]=3 4250 B14R0.394 CCCCOCCOCCCC[N+](=O)[O-] 34a_200015379883_100000743108 [0,1,0,0,0,0|3,0,0]=4 4251 B14R0.394 CCCCOCCOCCCC[N+](=O)[O-] 7a_200015379883_100000743108 [0,1,0,0,0,0|3,0,0]=4 4252 B14R0.394 CCCCOCCOCCCNC(=O)C 34a_100000752032_100000743108 [0,1,0,0,0,0|3,0,0]=4 4253 B14R0.394 CCCCOCCOCCCOC(=O)C 34a_100000210238_100000042594 [0,1,0,0,0,0|3,0,0]=4 4254 B14R0.394 CCCCOCCOCCCOC(=O)C 7a_100000210238_100000042594 [0,1,0,0,0,0|3,0,0]=4 4255 B14R0.394 CCCCOCCOCCCSC(=O)C 34a_100000210238_100000038929 [0,1,0,0,0,0|3,0,0]=4 4256 B14R0.394 CCCCOCCOCCCSC(=O)C 7a_100000210238_100000038929 [0,1,0,0,0,0|3,0,0]=4 4257 B14R0.394 CCCCOCCOCCOCC(=O)N 34a_100000210238_100000076697 [0,1,0,0,0,0|3,0,0]=4 4258 B14R0.394 CCCCOCCOCCOCC(=O)N 34a_100011215186_100000187820 [0,1,0,0,0,0|3,0,0]=4 4259 B14R0.394 CCCCOCCOCCOCC(=O)N 7a_100000210238_100000076697 [0,1,0,0,0,0|3,0,0]=4 4260 B14R0.394 CCCCOCCOCCOCC(=O)N 7a_100011215186_100000187820 [0,1,0,0,0,0|3,0,0]=4 4261 B14R0.394 CCCCOCCOCCOCC(=O)[O-] 34a_100011215186_100020667443 [0,1,0,0,0,0|3,0,0]=4 4262 B14R0.394 CCCCOCCSCCCCC(=O)C 62a_100000735457_100000743108 [0,1,0,0,0,0|2,0,0]=3 4263 B14R0.394 CCCCOCCSCCCCC(=O)C 62a_100000743108_100000735457 [0,1,0,0,0,0|2,0,0]=3 4264 B14R0.394 CCCCOCCSCCCOC(=O)C 62a_100000042594_100000743108 [0,1,0,0,0,0|3,0,0]=4 4265 B14R0.394 CCCCOCCSCCCOC(=O)C 62a_100000743108_100000042594 [0,1,0,0,0,0|3,0,0]=4 4266 B14R0.394 CCCCOCCSCCCSC(=O)C 62a_100000038929_100000743108 [0,1,0,0,0,0|3,0,0]=4 4267 B14R0.394 CCCCOCCSCCCSC(=O)C 62a_100000743108_100000038929 [0,1,0,0,0,0|3,0,0]=4 4268 B14R0.394 CCCCOCCSCCOCC(=O)N 62a_100000076697_100000743108 [0,1,0,0,0,0|3,0,0]=4 4269 B14R0.394 CCCCOCCSCCOCC(=O)N 62a_100000743108_100000076697 [0,1,0,0,0,0|3,0,0]=4 4270 B14R0.394 CCCCOCNCCCCNC(=O)C 2230a_200011368371_100011995733 [0,1,0,0,0,0|3,0,0]=4 4271 B14R0.394 CCCCOCNCCCCNC(=O)C 34a_200011368371_100011995733 [0,1,0,0,0,0|3,0,0]=4 4272 B14R0.394 CCCCOCOCCCCCC(=O)N 34a_100000123541_100011995733 [0,1,0,0,0,0|2,0,0]=3 4273 B14R0.394 CCCCOCOCCCCOC(=O)C 34a_100000073216_100011995733 [0,1,0,0,0,0|3,0,0]=4 4274 B14R0.394 CCCCOCSCCCCCC(=O)N 62a_100009817443_100011995733 [0,1,0,0,0,0|2,0,0]=3 4275 B14R0.394 CCCCOCSCCCCCC(=O)N 62a_100011995733_100009817443 [0,1,0,0,0,0|2,0,0]=3 4276 B14R0.394 CCCCOCSCCCCOC(=O)C 62a_100000033659_100011995733 [0,1,0,0,0,0|3,0,0]=4 4277 B14R0.394 CCCCOCSCCCCOC(=O)C 62a_100011995733_100000033659 [0,1,0,0,0,0|3,0,0]=4 4278 B14R0.394 CCCCOCSCCCCSC(=O)C 62a_100011995733_200010402107 [0,1,0,0,0,0|3,0,0]=4 4279 B14R0.394 CCCCOCSCCCCSC(=O)C 62a_200010402107_100011995733 [0,1,0,0,0,0|3,0,0]=4 4280 B14R0.394 CCCCSCCNCCCSC(=O)C 2230a_100025743550_100000038929 [0,1,0,0,0,0|3,0,0]=4 4281 B14R0.394 CCCCSCCNCCOCC(=O)N 2230a_100025743550_100000076697 [0,1,0,0,0,0|3,0,0]=4 4282 B14R0.394 CCCCSCCOCCCCC(=O)C 34a_200000230436_100009817362 [0,1,0,0,0,0|2,0,0]=3 4283 B14R0.394 CCCCSCCOCCCCC(=O)C 7a_200000230436_100000735457 [0,1,0,0,0,0|2,0,0]=3 4284 B14R0.394 CCCCSCCOCCCOC(=O)C 34a_200000230436_100000042594 [0,1,0,0,0,0|3,0,0]=4 4285 B14R0.394 CCCCSCCOCCCOC(=O)C 7a_200000230436_100000042594 [0,1,0,0,0,0|3,0,0]=4 4286 B14R0.394 CCCCSCCOCCCSC(=O)C 34a_200000230436_100000038929 [0,1,0,0,0,0|3,0,0]=4 4287 B14R0.394 CCCCSCCOCCCSC(=O)C 7a_200000230436_100000038929 [0,1,0,0,0,0|3,0,0]=4 4288 B14R0.394 CCCCSCCOCCOCC(=O)N 34a_200000230436_100000076697 [0,1,0,0,0,0|3,0,0]=4 4289 B14R0.394 CCCCSCCOCCOCC(=O)N 7a_200000230436_100000076697 [0,1,0,0,0,0|3,0,0]=4 4290 B14R0.394 CCCOCCCNCCCCC(=O)C 34a_100011217757_100009817362 [0,1,0,0,0,0|2,0,0]=3 4291 B14R0.394 CCCOCCCNCCCOC(=O)C 34a_100011217757_100000042594 [0,1,0,0,0,0|3,0,0]=4 4292 B14R0.394 CCCOCCCNCCCSC(=O)C 2230a_100011217757_100000038929 [0,1,0,0,0,0|3,0,0]=4 4293 B14R0.394 CCCOCCCNCCCSC(=O)C 34a_100011217757_100000038929 [0,1,0,0,0,0|3,0,0]=4 4294 B14R0.394 CCCOCCCNCCOCC(=O)N 2230a_100011217757_100000076697 [0,1,0,0,0,0|3,0,0]=4 4295 B14R0.394 CCCOCCCNCCOCC(=O)N 34a_100011217757_100000076697 [0,1,0,0,0,0|3,0,0]=4 4296 B14R0.394 CCCOCCNCCCCCC(=O)N 2230a_100161115042_100009817443 [0,1,0,0,0,0|2,0,0]=3 4297 B14R0.394 CCCOCCNCCCCCC(=O)N 34a_100161115042_100009817443 [0,1,0,0,0,0|2,0,0]=3 4298 B14R0.394 CCCOCCNCCCCNC(=O)C 2230a_200011368371_100011215938 [0,1,0,0,0,0|3,0,0]=4 4299 B14R0.394 CCCOCCNCCCCNC(=O)C 34a_200011368371_100011215938 [0,1,0,0,0,0|3,0,0]=4 4300 B14R0.394 CCCOCCNCCCCOC(=O)C 34a_100161115042_100000033659 [0,1,0,0,0,0|3,0,0]=4 4301 B14R0.394 CCCOCCNCCCCSC(=O)C 2230a_100161115042_200010402107 [0,1,0,0,0,0|3,0,0]=4 4302 B14R0.394 CCCOCCNCCCCSC(=O)C 34a_100161115042_200010402107 [0,1,0,0,0,0|3,0,0]=4 4303 B14R0.394 CCCOCCOCCCCCC(=O)N 34a_100000123541_100011215938 [0,1,0,0,0,0|2,0,0]=3 4304 B14R0.394 CCCOCCOCCCCCC(=O)N 34a_100000752267_100009817443 [0,1,0,0,0,0|2,0,0]=3 4305 B14R0.394 CCCOCCOCCCCCC(=O)N 7a_100000123541_100011215938 [0,1,0,0,0,0|2,0,0]=3 4306 B14R0.394 CCCOCCOCCCCCC(=O)N 7a_100000752267_100009817443 [0,1,0,0,0,0|2,0,0]=3 4307 B14R0.394 CCCOCCOCCCCCC(=O)[O-] 7a_100102619762_100011215938 [0,1,0,0,0,0|2,0,0]=3 4308 B14R0.394 CCCOCCOCCCCOC(=O)C 34a_100000073216_100011215938 [0,1,0,0,0,0|3,0,0]=4 4309 B14R0.394 CCCOCCOCCCCOC(=O)C 34a_100000752267_100000033659 [0,1,0,0,0,0|3,0,0]=4 4310 B14R0.394 CCCOCCOCCCCOC(=O)C 7a_100000073216_100011215938 [0,1,0,0,0,0|3,0,0]=4 4311 B14R0.394 CCCOCCOCCCCOC(=O)C 7a_100000752267_100000033659 [0,1,0,0,0,0|3,0,0]=4 4312 B14R0.394 CCCOCCOCCCCSC(=O)C 34a_100000752267_200010402107 [0,1,0,0,0,0|3,0,0]=4 4313 B14R0.394 CCCOCCOCCCCSC(=O)C 7a_100000752267_200010402107 [0,1,0,0,0,0|3,0,0]=4 4314 B14R0.394 CCCOCCOCCNCCC(=O)N 2230a_200011904461_100000744528 [0,1,0,0,0,0|3,0,0]=4 4315 B14R0.394 CCCOCCOCCNCCC(=O)N 34a_200011904461_100000731001 [0,1,0,0,0,0|3,0,0]=4 4316 B14R0.394 CCCOCCSCCCCCC(=O)N 62a_100009817443_100011215938 [0,1,0,0,0,0|2,0,0]=3 4317 B14R0.394 CCCOCCSCCCCCC(=O)N 62a_100011215938_100009817443 [0,1,0,0,0,0|2,0,0]=3 4318 B14R0.394 CCCOCCSCCCCOC(=O)C 62a_100000033659_100011215938 [0,1,0,0,0,0|3,0,0]=4 4319 B14R0.394 CCCOCCSCCCCOC(=O)C 62a_100011215938_100000033659 [0,1,0,0,0,0|3,0,0]=4 4320 B14R0.394 CCCOCCSCCCCSC(=O)C 62a_100011215938_200010402107 [0,1,0,0,0,0|3,0,0]=4 4321 B14R0.394 CCCOCCSCCCCSC(=O)C 62a_200010402107_100011215938 [0,1,0,0,0,0|3,0,0]=4 4322 B14R0.394 CCCSCCNCCCCCC(=O)N 2230a_100020603323_100009817443 [0,1,0,0,0,0|2,0,0]=3 4323 B14R0.394 CCCSCCNCCCCSC(=O)C 2230a_100020603323_200010402107 [0,1,0,0,0,0|3,0,0]=4 4324 B14R0.394 CCCSCCOCCCCCC(=O)N 34a_200000230433_100009817443 [0,1,0,0,0,0|2,0,0]=3 4325 B14R0.394 CCCSCCOCCCCCC(=O)N 7a_200000230433_100009817443 [0,1,0,0,0,0|2,0,0]=3 4326 B14R0.394 CCCSCCOCCCCOC(=O)C 34a_200000230433_100000033659 [0,1,0,0,0,0|3,0,0]=4 4327 B14R0.394 CCCSCCOCCCCOC(=O)C 7a_200000230433_100000033659 [0,1,0,0,0,0|3,0,0]=4 4328 B14R0.394 CCCSCCOCCCCSC(=O)C 34a_200000230433_200010402107 [0,1,0,0,0,0|3,0,0]=4 4329 B14R0.394 CCCSCCOCCCCSC(=O)C 7a_200000230433_200010402107 [0,1,0,0,0,0|3,0,0]=4 4330 B14R0.394 CCOCCCNCCCCCC(=O)N 2230a_100000210961_100009817443 [0,1,0,0,0,0|2,0,0]=3 4331 B14R0.394 CCOCCCNCCCCCC(=O)N 34a_100000210961_100009817443 [0,1,0,0,0,0|2,0,0]=3 4332 B14R0.394 CCOCCCNCCCCNC(=O)C 2230a_200011368371_100012232248 [0,1,0,0,0,0|3,0,0]=4 4333 B14R0.394 CCOCCCNCCCCNC(=O)C 34a_200011368371_100012232248 [0,1,0,0,0,0|3,0,0]=4 4334 B14R0.394 CCOCCCNCCCCOC(=O)C 34a_100000210961_100000033659 [0,1,0,0,0,0|3,0,0]=4 4335 B14R0.394 CCOCCCNCCCCSC(=O)C 2230a_100000210961_200010402107 [0,1,0,0,0,0|3,0,0]=4 4336 B14R0.394 CCOCCCNCCCCSC(=O)C 34a_100000210961_200010402107 [0,1,0,0,0,0|3,0,0]=4 4337 B14R0.394 CCOCCCOCCCCCC(=O)N 34a_100000123541_100012232248 [0,1,0,0,0,0|2,0,0]=3 4338 B14R0.394 CCOCCCOCCCCCC(=O)N 34a_100000757476_100009817443 [0,1,0,0,0,0|2,0,0]=3 4339 B14R0.394 CCOCCCOCCCCCC(=O)N 7a_100000123541_100012232248 [0,1,0,0,0,0|2,0,0]=3 4340 B14R0.394 CCOCCCOCCCCCC(=O)N 7a_100000757476_100009817443 [0,1,0,0,0,0|2,0,0]=3 4341 B14R0.394 CCOCCCOCCCCCC(=O)[O-] 7a_100102619762_100012232248 [0,1,0,0,0,0|2,0,0]=3 4342 B14R0.394 CCOCCCOCCCCOC(=O)C 34a_100000073216_100012232248 [0,1,0,0,0,0|3,0,0]=4 4343 B14R0.394 CCOCCCOCCCCOC(=O)C 34a_100000757476_100000033659 [0,1,0,0,0,0|3,0,0]=4 4344 B14R0.394 CCOCCCOCCCCOC(=O)C 7a_100000073216_100012232248 [0,1,0,0,0,0|3,0,0]=4 4345 B14R0.394 CCOCCCOCCCCOC(=O)C 7a_100000757476_100000033659 [0,1,0,0,0,0|3,0,0]=4 4346 B14R0.394 CCOCCCOCCCCSC(=O)C 34a_100000757476_200010402107 [0,1,0,0,0,0|3,0,0]=4 4347 B14R0.394 CCOCCCOCCCCSC(=O)C 7a_100000757476_200010402107 [0,1,0,0,0,0|3,0,0]=4 4348 B14R0.394 CCOCCCSCCCCCC(=O)N 62a_100009817443_100012232248 [0,1,0,0,0,0|2,0,0]=3 4349 B14R0.394 CCOCCCSCCCCCC(=O)N 62a_100012232248_100009817443 [0,1,0,0,0,0|2,0,0]=3 4350 B14R0.394 CCOCCCSCCCCOC(=O)C 62a_100000033659_100012232248 [0,1,0,0,0,0|3,0,0]=4 4351 B14R0.394 CCOCCCSCCCCOC(=O)C 62a_100012232248_100000033659 [0,1,0,0,0,0|3,0,0]=4 4352 B14R0.394 CCOCCCSCCCCSC(=O)C 62a_100012232248_200010402107 [0,1,0,0,0,0|3,0,0]=4 4353 B14R0.394 CCOCCCSCCCCSC(=O)C 62a_200010402107_100012232248 [0,1,0,0,0,0|3,0,0]=4 4354 B14R0.394 CCOCCNCCCCCNC(=O)C 2230a_200012022750_100011215890 [0,1,0,0,0,0|3,0,0]=4 4355 B14R0.394 CCOCCNCCCCCNC(=O)C 34a_200012022750_100000210147 [0,1,0,0,0,0|3,0,0]=4 4356 B14R0.394 CCOCCNCCCCCOC(=O)C 2230a_102516460346_100009813381 [0,1,0,0,0,0|3,0,0]=4 4357 B14R0.394 CCOCCNCCCCCOC(=O)C 34a_102516460346_100000033007 [0,1,0,0,0,0|3,0,0]=4 4358 B14R0.394 CCOCCOCCCCCOC(=O)C 34a_100000210136_100000033007 [0,1,0,0,0,0|3,0,0]=4 4359 B14R0.394 CCOCCOCCCCCOC(=O)C 7a_100000210136_100000033007 [0,1,0,0,0,0|3,0,0]=4 4360 B14R0.394 CCOCCOCCNCCCC(=O)C 34a_100102712874_100000685027 [0,1,0,0,0,0|3,0,0]=4 4361 B14R0.394 CCOCCOCCNCCCC(=O)N 34a_100000739312_100011211534 [0,1,0,0,0,0|3,0,0]=4 4362 B14R0.394 CCOCCOCCNCCCC(=O)N 34a_100102712874_100102525003 [0,1,0,0,0,0|3,0,0]=4 4363 B14R0.394 CCOCCOCCOCCCC(=O)C 34a_100000210240_100000685027 [0,1,0,0,0,0|3,0,0]=4 4364 B14R0.394 CCOCCOCCOCCCC(=O)C 34a_100000759063_100011211534 [0,1,0,0,0,0|3,0,0]=4 4365 B14R0.394 CCOCCOCCOCCCC(=O)C 7a_100000210240_100011215641 [0,1,0,0,0,0|3,0,0]=4 4366 B14R0.394 CCOCCOCCOCCCC(=O)C 7a_100000759063_100011211534 [0,1,0,0,0,0|3,0,0]=4 4367 B14R0.394 CCOCCOCCOCCCC(=O)N 34a_100000210240_100102525003 [0,1,0,0,0,0|3,0,0]=4 4368 B14R0.394 CCOCCOCCOCCCC(=O)N 7a_100000210240_100102525003 [0,1,0,0,0,0|3,0,0]=4 4369 B14R0.394 CCOCCOCCSCCCC(=O)C 62a_100011211534_100011215641 [0,1,0,0,0,0|3,0,0]=4 4370 B14R0.394 CCOCCOCCSCCCC(=O)C 62a_100011215641_100011211534 [0,1,0,0,0,0|3,0,0]=4 4371 B14R0.394 CCOCCOCCSCCCC(=O)N 62a_100011211534_100102525003 [0,1,0,0,0,0|3,0,0]=4 4372 B14R0.394 CCOCCOCCSCCCC(=O)N 62a_100102525003_100011211534 [0,1,0,0,0,0|3,0,0]=4 4373 B14R0.394 CCOCCSCCCCCOC(=O)C 62a_100000033007_100011215890 [0,1,0,0,0,0|3,0,0]=4 4374 B14R0.394 CCOCCSCCCCCOC(=O)C 62a_100000210147_100000033007 [0,1,0,0,0,0|3,0,0]=4 4375 B14R0.394 CCSCCCOCCCCCC(=O)N 34a_100011216438_100009817443 [0,1,0,0,0,0|2,0,0]=3 4376 B14R0.394 CCSCCCOCCCCCC(=O)N 7a_100011216438_100009817443 [0,1,0,0,0,0|2,0,0]=3 4377 B14R0.394 CCSCCCOCCCCOC(=O)C 34a_100011216438_100000033659 [0,1,0,0,0,0|3,0,0]=4 4378 B14R0.394 CCSCCCOCCCCOC(=O)C 7a_100011216438_100000033659 [0,1,0,0,0,0|3,0,0]=4 4379 B14R0.394 CCSCCCOCCCCSC(=O)C 34a_100011216438_200010402107 [0,1,0,0,0,0|3,0,0]=4 4380 B14R0.394 CCSCCCOCCCCSC(=O)C 7a_100011216438_200010402107 [0,1,0,0,0,0|3,0,0]=4 4381 B14R0.394 CCSCCNCCCCCNC(=O)C 2230a_200012022750_100000757381 [0,1,0,0,0,0|3,0,0]=4 4382 B14R0.394 CCSCCNCCCCCNC(=O)C 34a_200012022750_100000757381 [0,1,0,0,0,0|3,0,0]=4 4383 B14R0.394 CCSCCNCCCCCOC(=O)C 2230a_100000106463_100009813381 [0,1,0,0,0,0|3,0,0]=4 4384 B14R0.394 CCSCCOCCCCCOC(=O)C 34a_100000212035_100000033007 [0,1,0,0,0,0|3,0,0]=4 4385 B14R0.394 CCSCCOCCCCCOC(=O)C 7a_100000212035_100000033007 [0,1,0,0,0,0|3,0,0]=4 4386 B14R0.394 CCSCCSCCCCCOC(=O)C 62a_100000033007_100000757381 [0,1,0,0,0,0|3,0,0]=4 4387 B14R0.394 CCSCCSCCCCCOC(=O)C 62a_100000757381_100000033007 [0,1,0,0,0,0|3,0,0]=4 4388 B14R0.394 CN(C)CCCCCCCCCCCO 2230a_100102631434_100009812471 [0,1,0,0,0,0|3,0,0]=4 4389 B14R0.394 CN(C)CCCCCCCCCCCO 269982a_100102631434_100009812471 [0,1,0,0,0,0|3,0,0]=4 4390 B14R0.394 CNCCCCCCCCCCC(=O)N 2230a_106832991635_200010167045 [0,1,0,0,0,0|1,0,0]=2 4391 B14R0.394 CNCCCCCCCCCCC(=O)N 34a_100102657272_200010167045 [0,1,0,0,0,0|1,0,0]=2 4392 B14R0.394 CNCCCCCCCCCCC(=O)N 7a_106832991635_200010167045 [0,1,0,0,0,0|1,0,0]=2 4393 B14R0.394 CNCCCCCOCCCCC(=O)C 34a_100000722520_100009817362 [0,1,0,0,0,0|2,0,0]=3 4394 B14R0.394 CNCCCCCOCCCOC(=O)C 34a_100000722520_100000042594 [0,1,0,0,0,0|3,0,0]=4 4395 B14R0.394 CNCCCCCOCCCSC(=O)C 34a_100000722520_100000038929 [0,1,0,0,0,0|3,0,0]=4 4396 B14R0.394 CNCCCCCOCCOCC(=O)N 34a_100000722520_100000076697 [0,1,0,0,0,0|3,0,0]=4 4397 B14R0.394 CNCCCOCCCCCOC(=O)C 34a_100000213112_100000033007 [0,1,0,0,0,0|3,0,0]=4 4398 B14R0.394 CNCCOCCOCCCCC(=O)C 34a_100000228057_100009817362 [0,1,0,0,0,0|3,0,0]=4 4399 B14R0.394 COCCCCCCCCCCC(=O)N 34a_100138415774_200010167045 [0,1,0,0,0,0|1,0,0]=2 4400 B14R0.394 COCCCCCCNCCCC(=O)N 34a_100000739312_100011998445 [0,1,0,0,0,0|2,0,0]=3 4401 B14R0.394 COCCCCCCNCCCS(=O)C 2230a_200000753449_100011998445 [0,1,0,0,0,0|3,0,0]=4 4402 B14R0.394 COCCCCCCNCCNC(=O)C 2230a_100000209853_100011998445 [0,1,0,0,0,0|3,0,0]=4 4403 B14R0.394 COCCCCCCNCCNC(=O)N 34a_100020590234_100011998445 [0,1,0,0,0,0|3,0,0]=4 4404 B14R0.394 COCCCCCCOCCCC(=O)C 34a_100000759063_100011998445 [0,1,0,0,0,0|2,0,0]=3 4405 B14R0.394 COCCCCCCOCCCC(=O)C 34a_200012092642_100000685027 [0,1,0,0,0,0|2,0,0]=3 4406 B14R0.394 COCCCCCCOCCCC(=O)C 7a_100000759063_100011998445 [0,1,0,0,0,0|2,0,0]=3 4407 B14R0.394 COCCCCCCOCCCC(=O)C 7a_200012092642_100011215641 [0,1,0,0,0,0|2,0,0]=3 4408 B14R0.394 COCCCCCCOCCCC(=O)N 34a_200012092642_100102525003 [0,1,0,0,0,0|2,0,0]=3 4409 B14R0.394 COCCCCCCOCCCC(=O)N 7a_200012092642_100102525003 [0,1,0,0,0,0|2,0,0]=3 4410 B14R0.394 COCCCCCCOCCC[N+](=O)[O-] 34a_200000037920_100011998445 [0,1,0,0,0,0|3,0,0]=4 4411 B14R0.394 COCCCCCCOCCNC(=O)C 34a_100000158858_100011998445 [0,1,0,0,0,0|3,0,0]=4 4412 B14R0.394 COCCCCCCOCCNC(=O)C 7a_200012092642_100000189650 [0,1,0,0,0,0|3,0,0]=4 4413 B14R0.394 COCCCCCCOCCNC(=O)N 34a_100000181757_100011998445 [0,1,0,0,0,0|3,0,0]=4 4414 B14R0.394 COCCCCCCOCCNC(=O)N 7a_200012092642_200000034859 [0,1,0,0,0,0|3,0,0]=4 4415 B14R0.394 COCCCCCCOCCOC(=O)C 34a_200012092642_100009814007 [0,1,0,0,0,0|3,0,0]=4 4416 B14R0.394 COCCCCCCOCCOC(=O)C 7a_200012092642_100009814007 [0,1,0,0,0,0|3,0,0]=4 4417 B14R0.394 COCCCCCCOCCOC(=O)N 34a_200012092642_200011214921 [0,1,0,0,0,0|3,0,0]=4 4418 B14R0.394 COCCCCCCOCCOC(=O)N 7a_100000766696_100011998445 [0,1,0,0,0,0|3,0,0]=4 4419 B14R0.394 COCCCCCCOCCOC(=O)N 7a_200012092642_200011214921 [0,1,0,0,0,0|3,0,0]=4 4420 B14R0.394 COCCCCCCSCCCC(=O)C 62a_100011215641_100011998445 [0,1,0,0,0,0|2,0,0]=3 4421 B14R0.394 COCCCCCCSCCCC(=O)C 62a_100011998445_100011215641 [0,1,0,0,0,0|2,0,0]=3 4422 B14R0.394 COCCCCCCSCCCC(=O)N 62a_100011998445_100102525003 [0,1,0,0,0,0|2,0,0]=3 4423 B14R0.394 COCCCCCCSCCCC(=O)N 62a_100102525003_100011998445 [0,1,0,0,0,0|2,0,0]=3 4424 B14R0.394 COCCCCCCSCCNC(=O)C 62a_100000189650_100011998445 [0,1,0,0,0,0|3,0,0]=4 4425 B14R0.394 COCCCCCCSCCNC(=O)C 62a_100011998445_100000189650 [0,1,0,0,0,0|3,0,0]=4 4426 B14R0.394 COCCCCCCSCCNC(=O)N 62a_100011998445_200000034859 [0,1,0,0,0,0|3,0,0]=4 4427 B14R0.394 COCCCCCCSCCNC(=O)N 62a_200000034859_100011998445 [0,1,0,0,0,0|3,0,0]=4 4428 B14R0.394 COCCCCCCSCCOC(=O)C 62a_100009814007_100011998445 [0,1,0,0,0,0|3,0,0]=4 4429 B14R0.394 COCCCCCCSCCOC(=O)C 62a_100011998445_100009814007 [0,1,0,0,0,0|3,0,0]=4 4430 B14R0.394 COCCCCCCSCCOC(=O)N 62a_100011998445_200011214921 [0,1,0,0,0,0|3,0,0]=4 4431 B14R0.394 COCCCCCCSCCOC(=O)N 62a_200011214921_100011998445 [0,1,0,0,0,0|3,0,0]=4 4432 B14R0.394 COCCCCCNCCCCC(=O)C 34a_100000747528_100009817362 [0,1,0,0,0,0|2,0,0]=3 4433 B14R0.394 COCCCCCNCCCOC(=O)C 34a_100000747528_100000042594 [0,1,0,0,0,0|3,0,0]=4 4434 B14R0.394 COCCCCCNCCCSC(=O)C 2230a_100000747528_100000038929 [0,1,0,0,0,0|3,0,0]=4 4435 B14R0.394 COCCCCCNCCCSC(=O)C 34a_100000747528_100000038929 [0,1,0,0,0,0|3,0,0]=4 4436 B14R0.394 COCCCCCNCCOCC(=O)N 2230a_100000747528_100000076697 [0,1,0,0,0,0|3,0,0]=4 4437 B14R0.394 COCCCCCNCCOCC(=O)N 34a_100000747528_100000076697 [0,1,0,0,0,0|3,0,0]=4 4438 B14R0.394 COCCCCNCCCCNC(=O)C 2230a_200011368371_100000730899 [0,1,0,0,0,0|3,0,0]=4 4439 B14R0.394 COCCCCNCCCCNC(=O)C 34a_200011368371_100000755781 [0,1,0,0,0,0|3,0,0]=4 4440 B14R0.394 COCCCCOCCCCCC(=O)N 34a_100000123541_100000755781 [0,1,0,0,0,0|2,0,0]=3 4441 B14R0.394 COCCCCOCCCCCC(=O)N 34a_100000740925_100009817443 [0,1,0,0,0,0|2,0,0]=3 4442 B14R0.394 COCCCCOCCCCCC(=O)N 7a_100000123541_100000730899 [0,1,0,0,0,0|2,0,0]=3 4443 B14R0.394 COCCCCOCCCCCC(=O)[O-] 7a_100102619762_100000730899 [0,1,0,0,0,0|2,0,0]=3 4444 B14R0.394 COCCCCOCCCCOC(=O)C 34a_100000073216_100000755781 [0,1,0,0,0,0|3,0,0]=4 4445 B14R0.394 COCCCCOCCCCOC(=O)C 34a_100000740925_100000033659 [0,1,0,0,0,0|3,0,0]=4 4446 B14R0.394 COCCCCOCCCCOC(=O)C 7a_100000073216_100000730899 [0,1,0,0,0,0|3,0,0]=4 4447 B14R0.394 COCCCCOCCCCSC(=O)C 34a_100000740925_200010402107 [0,1,0,0,0,0|3,0,0]=4 4448 B14R0.394 COCCCCSCCCCCC(=O)N 62a_100000730899_100009817443 [0,1,0,0,0,0|2,0,0]=3 4449 B14R0.394 COCCCCSCCCCCC(=O)N 62a_100009817443_100000730899 [0,1,0,0,0,0|2,0,0]=3 4450 B14R0.394 COCCCCSCCCCOC(=O)C 62a_100000033659_100000730899 [0,1,0,0,0,0|3,0,0]=4 4451 B14R0.394 COCCCCSCCCCOC(=O)C 62a_100000730899_100000033659 [0,1,0,0,0,0|3,0,0]=4 4452 B14R0.394 COCCCCSCCCCSC(=O)C 62a_100000730899_200010402107 [0,1,0,0,0,0|3,0,0]=4 4453 B14R0.394 COCCCCSCCCCSC(=O)C 62a_200010402107_100000730899 [0,1,0,0,0,0|3,0,0]=4 4454 B14R0.394 COCCCNCCCCCNC(=O)C 2230a_200012022750_100000740836 [0,1,0,0,0,0|3,0,0]=4 4455 B14R0.394 COCCCNCCCCCNC(=O)C 34a_200012022750_100000740836 [0,1,0,0,0,0|3,0,0]=4 4456 B14R0.394 COCCCNCCCCCOC(=O)C 34a_100150723488_100000033007 [0,1,0,0,0,0|3,0,0]=4 4457 B14R0.394 COCCCOCCCCCOC(=O)C 34a_100000740835_100000033007 [0,1,0,0,0,0|3,0,0]=4 4458 B14R0.394 COCCCOCCCOCCC(=O)C 7a_200011215475_100000053229 [0,1,0,0,0,0|3,0,0]=4 4459 B14R0.394 COCCCOCCCOCCC(=O)N 34a_200011215475_100000731001 [0,1,0,0,0,0|3,0,0]=4 4460 B14R0.394 COCCCOCCCOCCC(=O)N 7a_200011215475_100000744528 [0,1,0,0,0,0|3,0,0]=4 4461 B14R0.394 COCCCSCCCCCOC(=O)C 62a_100000033007_100000709357 [0,1,0,0,0,0|3,0,0]=4 4462 B14R0.394 COCCCSCCCCCOC(=O)C 62a_100000709357_100000033007 [0,1,0,0,0,0|3,0,0]=4 4463 B14R0.394 COCCNCCCCCCNC(=O)C 2230a_200011996284_100011201679 [0,1,0,0,0,0|3,0,0]=4 4464 B14R0.394 COCCNCCCCCCNC(=O)C 34a_200011996284_100011201679 [0,1,0,0,0,0|3,0,0]=4 4465 B14R0.394 COCCOCCCNCCCC(=O)C 34a_100000206027_100000685027 [0,1,0,0,0,0|3,0,0]=4 4466 B14R0.394 COCCOCCCNCCCC(=O)N 34a_100000206027_100102525003 [0,1,0,0,0,0|3,0,0]=4 4467 B14R0.394 COCCOCCCNCCCC(=O)N 34a_100000739312_100011216529 [0,1,0,0,0,0|3,0,0]=4 4468 B14R0.394 COCCOCCCOCCCC(=O)C 34a_100000759063_100011216529 [0,1,0,0,0,0|3,0,0]=4 4469 B14R0.394 COCCOCCCOCCCC(=O)C 7a_100000759063_100011216529 [0,1,0,0,0,0|3,0,0]=4 4470 B14R0.394 COCCOCCCSCCCC(=O)C 62a_100011215641_100011216529 [0,1,0,0,0,0|3,0,0]=4 4471 B14R0.394 COCCOCCCSCCCC(=O)C 62a_100011216529_100011215641 [0,1,0,0,0,0|3,0,0]=4 4472 B14R0.394 COCCOCCCSCCCC(=O)N 62a_100011216529_100102525003 [0,1,0,0,0,0|3,0,0]=4 4473 B14R0.394 COCCOCCCSCCCC(=O)N 62a_100102525003_100011216529 [0,1,0,0,0,0|3,0,0]=4 4474 B14R0.394 COCCOCCNCCCCC(=O)C 34a_100000745349_100009817362 [0,1,0,0,0,0|3,0,0]=4 4475 B14R0.394 COCCOCCNCCCCC(=O)N 34a_100000696515_100000695917 [0,1,0,0,0,0|3,0,0]=4 4476 B14R0.394 COCCOCCOCCCCC(=O)C 34a_100011215163_100009817362 [0,1,0,0,0,0|3,0,0]=4 4477 B14R0.394 COCCOCCOCCCCC(=O)C 7a_100011215163_100000735457 [0,1,0,0,0,0|3,0,0]=4 4478 B14R0.394 COCCOCCOCCCCC(=O)N 34a_100012022536_100000695917 [0,1,0,0,0,0|3,0,0]=4 4479 B14R0.394 COCCOCCOCCCCC(=O)N 7a_100012022536_100000695917 [0,1,0,0,0,0|3,0,0]=4 4480 B14R0.394 COCCOCCSCCCCC(=O)C 62a_100000695917_100000735457 [0,1,0,0,0,0|3,0,0]=4 4481 B14R0.394 COCCOCCSCCCCC(=O)C 62a_100000735457_100000695917 [0,1,0,0,0,0|3,0,0]=4 4482 B14R0.394 COCCOCSCCCCCC(=O)N 62a_100000231047_100009817443 [0,1,0,0,0,0|3,0,0]=4 4483 B14R0.394 COCCOCSCCCCCC(=O)N 62a_100009817443_100000231047 [0,1,0,0,0,0|3,0,0]=4 4484 B14R0.394 CS(=O)CCCNCCCCCCCO 2230a_200000753449_100000760002 [0,1,0,0,0,0|3,0,0]=4 4485 B14R0.394 CSCCCCCCCCCCC(=O)N 62a_200000210301_200010167045 [0,1,0,0,0,0|1,0,0]=2 4486 B14R0.394 CSCCCCCCCCCCC(=O)N 62a_200010167045_200000210301 [0,1,0,0,0,0|1,0,0]=2 4487 B14R0.394 CSCCCCOCCCCCC(=O)N 34a_100011217163_100009817443 [0,1,0,0,0,0|2,0,0]=3 4488 B14R0.394 CSCCCCOCCCCCC(=O)N 7a_100011217163_100009817443 [0,1,0,0,0,0|2,0,0]=3 4489 B14R0.394 CSCCCCOCCCCOC(=O)C 34a_100011217163_100000033659 [0,1,0,0,0,0|3,0,0]=4 4490 B14R0.394 CSCCCCOCCCCOC(=O)C 7a_100011217163_100000033659 [0,1,0,0,0,0|3,0,0]=4 4491 B14R0.394 CSCCCCOCCCCSC(=O)C 34a_100011217163_200010402107 [0,1,0,0,0,0|3,0,0]=4 4492 B14R0.394 CSCCCCOCCCCSC(=O)C 7a_100011217163_200010402107 [0,1,0,0,0,0|3,0,0]=4 4493 B14R0.394 CSCCCNCCCCCOC(=O)C 2230a_100000749238_100009813381 [0,1,0,0,0,0|3,0,0]=4 4494 B14R0.394 CSCCCOCCCCCOC(=O)C 34a_100000690336_100000033007 [0,1,0,0,0,0|3,0,0]=4 4495 B14R0.394 CSCCCOCCCCCOC(=O)C 7a_100000690336_100000033007 [0,1,0,0,0,0|3,0,0]=4 4496 B14R0.394 CSCCNCCCCCCNC(=O)C 2230a_200011996284_100000751147 [0,1,0,0,0,0|3,0,0]=4 4497 B14R0.394 CSCCNCCCCCCNC(=O)C 34a_200011996284_100000212216 [0,1,0,0,0,0|3,0,0]=4 4498 B14R0.394 C[C@@H](Cl)COCCCCCCCCCO 34a_100016084084_100009813782 [0,1,0,0,0,0|2,0,1]=4 4499 B14R0.394 N#CCCCCCCSCCCC(=O)N 62a_100009813337_100102525003 [0,1,0,0,0,0|2,0,1]=4 4500 B14R0.394 N#CCCCCCCSCCCC(=O)N 62a_100102525003_100009813337 [0,1,0,0,0,0|2,0,1]=4 4501 B14R0.394 N#CCCCCCOCCCCC(=O)N 7a_100012022536_100009813376 [0,1,0,0,0,0|2,0,1]=4 4502 B14R0.394 N#CCCCCOCCCCCC(=O)N 7a_100000123541_100000211819 [0,1,0,0,0,0|2,0,1]=4 4503 B14R0.394 N#CCCCCOCCCCCC(=O)[O-] 7a_100102619762_100000211819 [0,1,0,0,0,0|2,0,1]=4 4504 B14R0.394 N#CCCCCSCCCCCC(=O)N 62a_100009817443_100000211819 [0,1,0,0,0,0|2,0,1]=4 4505 B14R0.394 N#CCCCCSCCCCCC(=O)N 62a_100011219923_100009817443 [0,1,0,0,0,0|2,0,1]=4 4506 B14R0.394 NC(=O)CCCCCNCCCCCO 2230a_100000762737_100009817443 [0,1,0,0,0,0|2,0,0]=3 4507 B14R0.394 NC(=O)CCCCCNCCCCCO 34a_100000762737_100009817443 [0,1,0,0,0,0|2,0,0]=3 4508 B14R0.394 NC(=O)CCCCCNCCOCCO 2230a_100000211614_100009817443 [0,1,0,0,0,0|3,0,0]=4 4509 B14R0.394 NC(=O)CCCCCNCCOCCO 34a_100000211614_100009817443 [0,1,0,0,0,0|3,0,0]=4 4510 B14R0.394 NC(=O)CCCCCNCCSCCO 2230a_100011219999_100009817443 [0,1,0,0,0,0|3,0,0]=4 4511 B14R0.394 NC(=O)CCCCCOCCCCC=O 7a_100000123541_100000139335 [0,1,0,0,0,0|2,0,1]=4 4512 B14R0.394 NC(=O)CCCCCOCCCCCBr 34a_100000746331_100009817443 [0,1,0,0,0,0|2,0,0]=3 4513 B14R0.394 NC(=O)CCCCCOCCCCCBr 7a_100000746331_100009817443 [0,1,0,0,0,0|2,0,0]=3 4514 B14R0.394 NC(=O)CCCCCOCCCCCCl 34a_100000746330_100009817443 [0,1,0,0,0,0|2,0,0]=3 4515 B14R0.394 NC(=O)CCCCCOCCCCCCl 7a_100000746330_100009817443 [0,1,0,0,0,0|2,0,0]=3 4516 B14R0.394 NC(=O)CCCCCOCCCCCF 34a_100000123541_100000729378 [0,1,0,0,0,0|2,0,0]=3 4517 B14R0.394 NC(=O)CCCCCOCCCCCF 7a_100000123541_100000729378 [0,1,0,0,0,0|2,0,0]=3 4518 B14R0.394 NC(=O)CCCCCOCCCCCI 34a_200012148887_100009817443 [0,1,0,0,0,0|2,0,0]=3 4519 B14R0.394 NC(=O)CCCCCOCCCCCI 7a_200012148887_100009817443 [0,1,0,0,0,0|2,0,0]=3 4520 B14R0.394 NC(=O)CCCCCOCCCCCO 34a_100000123541_100000746330 [0,1,0,0,0,0|2,0,0]=3 4521 B14R0.394 NC(=O)CCCCCOCCCCCO 7a_100000123541_100000746330 [0,1,0,0,0,0|2,0,0]=3 4522 B14R0.394 NC(=O)CCCCCOCCOCCBr 34a_100000692535_100009817443 [0,1,0,0,0,0|3,0,0]=4 4523 B14R0.394 NC(=O)CCCCCOCCOCCBr 7a_100000692535_100009817443 [0,1,0,0,0,0|3,0,0]=4 4524 B14R0.394 NC(=O)CCCCCOCCOCCCl 34a_100011215305_100009817443 [0,1,0,0,0,0|3,0,0]=4 4525 B14R0.394 NC(=O)CCCCCOCCOCCCl 7a_100011215305_100009817443 [0,1,0,0,0,0|3,0,0]=4 4526 B14R0.394 NC(=O)CCCCCOCCOCCF 34a_200015357709_100009817443 [0,1,0,0,0,0|3,0,0]=4 4527 B14R0.394 NC(=O)CCCCCOCCOCCF 7a_200015357709_100009817443 [0,1,0,0,0,0|3,0,0]=4 4528 B14R0.394 NC(=O)CCCCCOCCOCCI 34a_100012149058_100009817443 [0,1,0,0,0,0|3,0,0]=4 4529 B14R0.394 NC(=O)CCCCCOCCOCCI 7a_100012149058_100009817443 [0,1,0,0,0,0|3,0,0]=4 4530 B14R0.394 NC(=O)CCCCCOCCOCCO 34a_100000123541_100000692535 [0,1,0,0,0,0|3,0,0]=4 4531 B14R0.394 NC(=O)CCCCCOCCOCCO 7a_100000123541_100011215305 [0,1,0,0,0,0|3,0,0]=4 4532 B14R0.394 NC(=O)CCCCCSCCCCC=O 62a_100000139335_100009817443 [0,1,0,0,0,0|2,0,1]=4 4533 B14R0.394 NC(=O)CCCCCSCCCCC=O 62a_100009817443_100000139335 [0,1,0,0,0,0|2,0,1]=4 4534 B14R0.394 NC(=O)CCCCCSCCCCCF 62a_100000729378_100009817443 [0,1,0,0,0,0|2,0,0]=3 4535 B14R0.394 NC(=O)CCCCCSCCCCCF 62a_100009817443_100000729378 [0,1,0,0,0,0|2,0,0]=3 4536 B14R0.394 NC(=O)CCCCCSCCCCCO 62a_100000746330_100009817443 [0,1,0,0,0,0|2,0,0]=3 4537 B14R0.394 NC(=O)CCCCCSCCCCCO 62a_100009817443_100000746330 [0,1,0,0,0,0|2,0,0]=3 4538 B14R0.394 NC(=O)CCCCCSCCOCCO 62a_100009817443_100011215305 [0,1,0,0,0,0|3,0,0]=4 4539 B14R0.394 NC(=O)CCCCCSCCOCCO 62a_100011215305_100009817443 [0,1,0,0,0,0|3,0,0]=4 4540 B14R0.394 NC(=O)CCCCNCCCCCCF 34a_100000696515_100015922095 [0,1,0,0,0,0|2,0,0]=3 4541 B14R0.394 NC(=O)CCCCNCCCCCCO 34a_100000696515_100000766143 [0,1,0,0,0,0|2,0,0]=3 4542 B14R0.394 NC(=O)CCCCOCCCCCC=O 7a_100012022536_100000139337 [0,1,0,0,0,0|2,0,1]=4 4543 B14R0.394 NC(=O)CCCCOCCCCCCF 34a_100012022536_100015922095 [0,1,0,0,0,0|2,0,0]=3 4544 B14R0.394 NC(=O)CCCCOCCCCCCF 7a_100012022536_100015922095 [0,1,0,0,0,0|2,0,0]=3 4545 B14R0.394 NC(=O)CCCCOCCCCCCO 34a_100012022536_100000766143 [0,1,0,0,0,0|2,0,0]=3 4546 B14R0.394 NC(=O)CCCCOCCCCCCO 7a_100012022536_100000766143 [0,1,0,0,0,0|2,0,0]=3 4547 B14R0.394 NC(=O)CCCNCCCCCCCO 34a_100000739312_100000760002 [0,1,0,0,0,0|2,0,0]=3 4548 B14R0.394 NC(=O)CCCNCCCCCCCO 34a_100011996573_100102525003 [0,1,0,0,0,0|2,0,0]=3 4549 B14R0.394 NC(=O)CCCNCCCOCCCO 34a_100011310245_100102525003 [0,1,0,0,0,0|3,0,0]=4 4550 B14R0.394 NC(=O)CCCOCCCCCCCBr 34a_100000760002_100102525003 [0,1,0,0,0,0|2,0,0]=3 4551 B14R0.394 NC(=O)CCCOCCCCCCCBr 7a_100000760002_100102525003 [0,1,0,0,0,0|2,0,0]=3 4552 B14R0.394 NC(=O)CCCSCCCCCCCO 62a_100000760002_100102525003 [0,1,0,0,0,0|2,0,0]=3 4553 B14R0.394 NC(=O)CCCSCCCCCCCO 62a_100102525003_100000760002 [0,1,0,0,0,0|2,0,0]=3 4554 B14R0.394 NC(=O)CCNCCCCCCCCO 2230a_102515433106_100000744528 [0,1,0,0,0,0|2,0,0]=3 4555 B14R0.394 NC(=O)CCNCCCCCCCCO 34a_102515433106_100000731001 [0,1,0,0,0,0|2,0,0]=3 4556 B14R0.394 NC(=O)CCOCCCCCCCCBr 34a_100009813846_100000731001 [0,1,0,0,0,0|2,0,0]=3 4557 B14R0.394 NC(=O)CCOCCCCCCCCBr 7a_100009813846_100000744528 [0,1,0,0,0,0|2,0,0]=3 4558 B14R0.394 NC(=O)CCOCCCCCCCCCl 34a_100000033203_100000731001 [0,1,0,0,0,0|2,0,0]=3 4559 B14R0.394 NC(=O)CCOCCCCCCCCCl 7a_100000033203_100000744528 [0,1,0,0,0,0|2,0,0]=3 4560 B14R0.394 NC(=O)CCOCCCCCCCCO 34a_100000757172_100000033203 [0,1,0,0,0,0|2,0,0]=3 4561 B14R0.394 NC(=O)CCOCCCCCCCCO 7a_100000757172_100000033203 [0,1,0,0,0,0|2,0,0]=3 4562 B14R0.394 NC(=O)CCSCCCCCCCCO 62a_100000033203_100000744528 [0,1,0,0,0,0|2,0,0]=3 4563 B14R0.394 NC(=O)CCSCCCCCCCCO 62a_100000744528_100000033203 [0,1,0,0,0,0|2,0,0]=3 4564 B14R0.394 NC(=O)CNCCCCCCCCCO 2230a_100000078944_100000747473 [0,1,0,0,0,0|2,0,0]=3 4565 B14R0.394 NC(=O)CNCCCCCCCCCO 2230a_100000711301_100009813782 [0,1,0,0,0,0|2,0,0]=3 4566 B14R0.394 NC(=O)CNCCCCCCCCCO 34a_100000078944_100000187820 [0,1,0,0,0,0|2,0,0]=3 4567 B14R0.394 NC(=O)COCCCCCCCCCBr 34a_100009813782_100000187820 [0,1,0,0,0,0|2,0,0]=3 4568 B14R0.394 NC(=O)COCCCCCCCCCBr 7a_100009813782_100000187820 [0,1,0,0,0,0|2,0,0]=3 4569 B14R0.394 NC(=O)COCCCCCCCCCCl 34a_100009868337_100000187820 [0,1,0,0,0,0|2,0,0]=3 4570 B14R0.394 NC(=O)COCCCCCCCCCCl 7a_100009868337_100000187820 [0,1,0,0,0,0|2,0,0]=3 4571 B14R0.394 NC(=O)COCCNCCCCCCO 2230a_100000686447_100000076697 [0,1,0,0,0,0|3,0,0]=4 4572 B14R0.394 NC(=O)COCCNCCCCCCO 34a_100000686447_100000076697 [0,1,0,0,0,0|3,0,0]=4 4573 B14R0.394 NC(=O)COCCOCCCCCCBr 34a_100011215345_100000076697 [0,1,0,0,0,0|3,0,0]=4 4574 B14R0.394 NC(=O)COCCOCCCCCCBr 7a_100011215345_100000076697 [0,1,0,0,0,0|3,0,0]=4 4575 B14R0.394 NC(=O)COCCOCCCCCCCl 34a_100000766143_100000076697 [0,1,0,0,0,0|3,0,0]=4 4576 B14R0.394 NC(=O)COCCOCCCCCCCl 7a_100000766143_100000076697 [0,1,0,0,0,0|3,0,0]=4 4577 B14R0.394 NC(=O)COCCOCCCCCCF 34a_100000732779_100000076697 [0,1,0,0,0,0|3,0,0]=4 4578 B14R0.394 NC(=O)COCCOCCCCCCF 7a_100000732779_100000076697 [0,1,0,0,0,0|3,0,0]=4 4579 B14R0.394 NC(=O)COCCSCCCCCCF 62a_100000076697_100015922095 [0,1,0,0,0,0|3,0,0]=4 4580 B14R0.394 NC(=O)COCCSCCCCCCF 62a_100015922095_100000076697 [0,1,0,0,0,0|3,0,0]=4 4581 B14R0.394 NC(=O)COCCSCCCCCCO 62a_100000076697_100000766143 [0,1,0,0,0,0|3,0,0]=4 4582 B14R0.394 NC(=O)COCCSCCCCCCO 62a_100000766143_100000076697 [0,1,0,0,0,0|3,0,0]=4 4583 B14R0.394 NC(=O)CSCCCCCCCCCO 62a_100000747473_100009813782 [0,1,0,0,0,0|2,0,0]=3 4584 B14R0.394 NC(=O)CSCCCCCCCCCO 62a_100009813782_100000747473 [0,1,0,0,0,0|2,0,0]=3 4585 B14R0.394 NC(=O)NCCNCCCCCCCO 2230a_100011996573_200000034859 [0,1,0,0,0,0|3,0,0]=4 4586 B14R0.394 NC(=O)NCCNCCCCCCCO 34a_100020590234_100000760002 [0,1,0,0,0,0|3,0,0]=4 4587 B14R0.394 NC(=O)NCCOCCCCCCCBr 7a_100000760002_200000034859 [0,1,0,0,0,0|3,0,0]=4 4588 B14R0.394 NC(=O)NCCOCCCCCCCO 34a_100000181757_100000760002 [0,1,0,0,0,0|3,0,0]=4 4589 B14R0.394 NC(=O)NCCSCCCCCCCO 62a_100000760002_200000034859 [0,1,0,0,0,0|3,0,0]=4 4590 B14R0.394 NC(=O)NCCSCCCCCCCO 62a_200000034859_100000760002 [0,1,0,0,0,0|3,0,0]=4 4591 B14R0.394 NC(=O)OCCNCCCCCCCO 34a_100011996573_200011214921 [0,1,0,0,0,0|3,0,0]=4 4592 B14R0.394 NC(=O)OCCOCCCCCCCBr 34a_100000760002_200011214921 [0,1,0,0,0,0|3,0,0]=4 4593 B14R0.394 NC(=O)OCCOCCCCCCCBr 7a_100000760002_200011214921 [0,1,0,0,0,0|3,0,0]=4 4594 B14R0.394 NC(=O)OCCOCCCCCCCO 7a_100000766696_100000760002 [0,1,0,0,0,0|3,0,0]=4 4595 B14R0.394 NC(=O)OCCSCCCCCCCO 62a_100000760002_200011214921 [0,1,0,0,0,0|3,0,0]=4 4596 B14R0.394 NC(=O)OCCSCCCCCCCO 62a_200011214921_100000760002 [0,1,0,0,0,0|3,0,0]=4 4597 B14R0.394 NCCCCCCCCCOCC(=O)N 34a_100000078944_100000187820 [0,1,0,0,0,0|2,0,0]=3 4598 B14R0.394 NCCCCCCCCCOCC(=O)[O-] 34a_100000078944_100020667443 [0,1,0,0,0,0|2,0,0]=3 4599 B14R0.394 NCCCCCCCCCOC[N+](=O)[O-] 34a_100000078944_100000761209 [0,1,0,0,0,0|3,0,0]=4 4600 B14R0.394 NCCCCCCCCOCCC(=O)N 34a_102515433106_100000731001 [0,1,0,0,0,0|2,0,0]=3 4601 B14R0.394 NCCCCCCCOCCCC(=O)N 34a_100011996573_100102525003 [0,1,0,0,0,0|2,0,0]=3 4602 B14R0.394 NCCCCCCCOCCOC(=O)N 34a_100011996573_200011214921 [0,1,0,0,0,0|3,0,0]=4 4603 B14R0.394 NCCCCCCOCCOCC(=O)N 34a_100000686447_100000076697 [0,1,0,0,0,0|3,0,0]=4 4604 B14R0.394 NCCCCCOCCCCCC(=O)N 34a_100000762737_100009817443 [0,1,0,0,0,0|2,0,0]=3 4605 B14R0.394 NCCCOCCCOCCCC(=O)N 34a_100011310245_100102525003 [0,1,0,0,0,0|3,0,0]=4 4606 B14R0.394 NCCNCCCCCOCCC(=O)N 34a_103619048469_100000731001 [0,1,0,0,0,0|3,0,0]=4 4607 B14R0.394 NCCOCCOCCCCCC(=O)N 34a_100000211614_100009817443 [0,1,0,0,0,0|3,0,0]=4 4608 B14R0.394 O=C(O)CNCCCCCCCCCO 269956a_100016091260_100009813782 [0,1,0,0,0,0|2,0,0]=3 4609 B14R0.394 O=C(O)COCCNCCCCCCF 269956a_100000700818_100015922095 [0,1,0,0,0,0|3,0,0]=4 4610 B14R0.394 O=C(O)COCCNCCCCCCO 269956a_100000700818_100000766143 [0,1,0,0,0,0|3,0,0]=4 4611 B14R0.394 O=C(O)CONCCCCCCCCO 269956a_100000106656_100000033203 [0,1,0,0,0,0|3,0,0]=4 4612 B14R0.394 O=C([O-])CCCCCOCCCCCF 7a_100102619762_100000729378 [0,1,0,0,0,0|2,0,0]=3 4613 B14R0.394 O=C([O-])CCCCCOCCCCCO 7a_100102619762_100000746330 [0,1,0,0,0,0|2,0,0]=3 4614 B14R0.394 O=C([O-])CCCCCOCCOCCO 7a_100102619762_100011215305 [0,1,0,0,0,0|3,0,0]=4 4615 B14R0.394 O=C([O-])CNCCCCCCCCCO 34a_100000078944_100020667443 [0,1,0,0,0,0|2,0,0]=3 4616 B14R0.394 O=C([O-])COCCCCCCCCCBr 34a_100009813782_100020667443 [0,1,0,0,0,0|2,0,0]=3 4617 B14R0.394 O=C([O-])COCCCCCCCCCCl 34a_100009868337_100020667443 [0,1,0,0,0,0|2,0,0]=3 4618 B14R0.394 O=C([O-])CSCCCCCCCCCO 62a_100009813782_100020667443 [0,1,0,0,0,0|2,0,0]=3 4619 B14R0.394 O=C([O-])CSCCCCCCCCCO 62a_100020667443_100009813782 [0,1,0,0,0,0|2,0,0]=3 4620 B14R0.394 O=CCCCCOCCCCCC(=O)[O-] 7a_100102619762_100000139335 [0,1,0,0,0,0|2,0,1]=4 4621 B14R0.394 O=[N+]([O-])CCCCOCCCCCCF 34a_200015379883_100015922095 [0,1,0,0,0,0|3,0,0]=4 4622 B14R0.394 O=[N+]([O-])CCCCOCCCCCCF 7a_200015379883_100015922095 [0,1,0,0,0,0|3,0,0]=4 4623 B14R0.394 O=[N+]([O-])CCCCOCCCCCCO 34a_200015379883_100000766143 [0,1,0,0,0,0|3,0,0]=4 4624 B14R0.394 O=[N+]([O-])CCCCOCCCCCCO 7a_200015379883_100000766143 [0,1,0,0,0,0|3,0,0]=4 4625 B14R0.394 O=[N+]([O-])CCCOCCCCCCCO 34a_200000037920_100000760002 [0,1,0,0,0,0|3,0,0]=4 4626 B14R0.394 O=[N+]([O-])CNCCCCCCCCCO 34a_100000078944_100000761209 [0,1,0,0,0,0|3,0,0]=4 4627 B14R0.394 O=[N+]([O-])COCCCCCCCCCBr 34a_100009813782_100000761209 [0,1,0,0,0,0|3,0,0]=4 4628 B14R0.394 O=[N+]([O-])COCCCCCCCCCCl 34a_100009868337_100000761209 [0,1,0,0,0,0|3,0,0]=4 4629 B14R0.394 O=[N+]([O-])CSCCCCCCCCCO 62a_100009813782_100000761209 [0,1,0,0,0,0|3,0,0]=4 4630 B14R0.394 [13CH3]SCCCCCCCCCCC(=O)N 62a_200010167045_200025704644 [0,1,0,0,0,0|1,0,0]=2 4631 B14R0.394 [13CH3]SCCCCCCCCCCC(=O)N 62a_200025704644_200010167045 [0,1,0,0,0,0|1,0,0]=2 4632 B14R0.432 CC(CCN)COCCCCCC(=O)N 34a_106354213184_100009817443 [0,1,0,0,0,0|3,0,0]=4 4633 B14R0.432 CCCC(=O)COCCCCCC(=O)N 7a_100000123541_100000747444 [0,1,0,0,0,0|2,0,1]=4 4634 B14R0.432 CCCC(=O)COCCCCCC(=O)[O-] 7a_100102619762_100000747444 [0,1,0,0,0,0|2,0,1]=4 4635 B14R0.432 CCCC(=O)CSCCCCCC(=O)N 62a_100000747444_100009817443 [0,1,0,0,0,0|2,0,1]=4 4636 B14R0.432 CCCC(=O)CSCCCCCC(=O)N 62a_100009817443_100000747444 [0,1,0,0,0,0|2,0,1]=4 4637 B14R0.432 CCCC(C)CCCOCCCC(=O)C 34a_100011713154_100000685027 [0,1,0,0,0,0|2,0,0]=3 4638 B14R0.432 CCCC(C)CCCOCCCC(=O)C 7a_100011713154_100011215641 [0,1,0,0,0,0|2,0,0]=3 4639 B14R0.432 CCCC(C)CCCOCCCC(=O)N 34a_100011713154_100102525003 [0,1,0,0,0,0|2,0,0]=3 4640 B14R0.432 CCCC(C)CCCOCCCC(=O)N 7a_100011713154_100102525003 [0,1,0,0,0,0|2,0,0]=3 4641 B14R0.432 CCCC(C)CCCOCCNC(=O)C 7a_100011713154_100000189650 [0,1,0,0,0,0|3,0,0]=4 4642 B14R0.432 CCCC(C)CCCOCCNC(=O)N 7a_100011713154_200000034859 [0,1,0,0,0,0|3,0,0]=4 4643 B14R0.432 CCCC(C)CCCOCCOC(=O)C 34a_100011713154_100009814007 [0,1,0,0,0,0|3,0,0]=4 4644 B14R0.432 CCCC(C)CCCOCCOC(=O)C 7a_100011713154_100009814007 [0,1,0,0,0,0|3,0,0]=4 4645 B14R0.432 CCCC(C)CCCOCCOC(=O)N 34a_100011713154_200011214921 [0,1,0,0,0,0|3,0,0]=4 4646 B14R0.432 CCCC(C)CCCOCCOC(=O)N 7a_100011713154_200011214921 [0,1,0,0,0,0|3,0,0]=4 4647 B14R0.432 CCCC(C)CCOCCCCC(=O)C 34a_100011217855_100009817362 [0,1,0,0,0,0|2,0,0]=3 4648 B14R0.432 CCCC(C)CCOCCCCC(=O)C 7a_100011217855_100000735457 [0,1,0,0,0,0|2,0,0]=3 4649 B14R0.432 CCCC(C)CCOCCCOC(=O)C 34a_100011217855_100000042594 [0,1,0,0,0,0|3,0,0]=4 4650 B14R0.432 CCCC(C)CCOCCCOC(=O)C 7a_100011217855_100000042594 [0,1,0,0,0,0|3,0,0]=4 4651 B14R0.432 CCCC(C)CCOCCCSC(=O)C 34a_100011217855_100000038929 [0,1,0,0,0,0|3,0,0]=4 4652 B14R0.432 CCCC(C)CCOCCCSC(=O)C 7a_100011217855_100000038929 [0,1,0,0,0,0|3,0,0]=4 4653 B14R0.432 CCCC(C)CCOCCOCC(=O)N 34a_100011217855_100000076697 [0,1,0,0,0,0|3,0,0]=4 4654 B14R0.432 CCCC(C)CCOCCOCC(=O)N 7a_100011217855_100000076697 [0,1,0,0,0,0|3,0,0]=4 4655 B14R0.432 CCCC(C)CNCCCCNC(=O)C 2230a_200011368371_100011216630 [0,1,0,0,0,0|3,0,0]=4 4656 B14R0.432 CCCC(C)CNCCCCNC(=O)C 270004a_200011368371_100000243154 [0,1,0,0,0,0|3,0,0]=4 4657 B14R0.432 CCCC(C)CNCCCCNC(=O)C 34a_200011368371_100011216630 [0,1,0,0,0,0|3,0,0]=4 4658 B14R0.432 CCCC(C)COCCCCCC(=O)N 34a_100000123541_100011216630 [0,1,0,0,0,0|2,0,0]=3 4659 B14R0.432 CCCC(C)COCCCCCC(=O)N 34a_100000688023_100009817443 [0,1,0,0,0,0|2,0,0]=3 4660 B14R0.432 CCCC(C)COCCCCCC(=O)N 7a_100000123541_100011216630 [0,1,0,0,0,0|2,0,0]=3 4661 B14R0.432 CCCC(C)COCCCCCC(=O)N 7a_100000688023_100009817443 [0,1,0,0,0,0|2,0,0]=3 4662 B14R0.432 CCCC(C)COCCCCCC(=O)[O-] 7a_100102619762_100011216630 [0,1,0,0,0,0|2,0,0]=3 4663 B14R0.432 CCCC(C)COCCCCOC(=O)C 34a_100000073216_100011216630 [0,1,0,0,0,0|3,0,0]=4 4664 B14R0.432 CCCC(C)COCCCCOC(=O)C 34a_100000688023_100000033659 [0,1,0,0,0,0|3,0,0]=4 4665 B14R0.432 CCCC(C)COCCCCOC(=O)C 7a_100000073216_100011216630 [0,1,0,0,0,0|3,0,0]=4 4666 B14R0.432 CCCC(C)COCCCCOC(=O)C 7a_100000688023_100000033659 [0,1,0,0,0,0|3,0,0]=4 4667 B14R0.432 CCCC(C)COCCCCSC(=O)C 34a_100000688023_200010402107 [0,1,0,0,0,0|3,0,0]=4 4668 B14R0.432 CCCC(C)COCCCCSC(=O)C 7a_100000688023_200010402107 [0,1,0,0,0,0|3,0,0]=4 4669 B14R0.432 CCCC(C)CSCCCCCC(=O)N 62a_100009817443_100011216630 [0,1,0,0,0,0|2,0,0]=3 4670 B14R0.432 CCCC(C)CSCCCCCC(=O)N 62a_100011216630_100009817443 [0,1,0,0,0,0|2,0,0]=3 4671 B14R0.432 CCCC(C)CSCCCCOC(=O)C 62a_100000033659_100011216630 [0,1,0,0,0,0|3,0,0]=4 4672 B14R0.432 CCCC(C)CSCCCCOC(=O)C 62a_100011216630_100000033659 [0,1,0,0,0,0|3,0,0]=4 4673 B14R0.432 CCCC(C)CSCCCCSC(=O)C 62a_100011216630_200010402107 [0,1,0,0,0,0|3,0,0]=4 4674 B14R0.432 CCCC(C)CSCCCCSC(=O)C 62a_200010402107_100011216630 [0,1,0,0,0,0|3,0,0]=4 4675 B14R0.432 CCCC(C)NCCCCCNC(=O)C 2230a_200012022750_100000766640 [0,1,0,0,0,0|3,0,0]=4 4676 B14R0.432 CCCC(C)NCCCCCNC(=O)C 270004a_200012022750_100000211909 [0,1,0,0,0,0|3,0,0]=4 4677 B14R0.432 CCCC(C)NCCCCCNC(=O)C 34a_200012022750_100000766640 [0,1,0,0,0,0|3,0,0]=4 4678 B14R0.432 CCCC(C)NCCCCCOC(=O)C 2230a_100000741246_100009813381 [0,1,0,0,0,0|3,0,0]=4 4679 B14R0.432 CCCC(C)OCCCCCOC(=O)C 34a_100000764384_100000033007 [0,1,0,0,0,0|3,0,0]=4 4680 B14R0.432 CCCC(C)OCCCCCOC(=O)C 7a_100000764384_100000033007 [0,1,0,0,0,0|3,0,0]=4 4681 B14R0.432 CCCC(C)SCCCCCOC(=O)C 62a_100000033007_100000766640 [0,1,0,0,0,0|3,0,0]=4 4682 B14R0.432 CCCC(C)SCCCCCOC(=O)C 62a_100000766640_100000033007 [0,1,0,0,0,0|3,0,0]=4 4683 B14R0.432 CCC[C@H](N)CCOCCCCC(=O)C 34a_100015193777_100009817362 [0,1,0,0,0,0|2,0,0]=3 4684 B14R0.432 CCC[C@H](N)CCOCCCOC(=O)C 34a_100015193777_100000042594 [0,1,0,0,0,0|3,0,0]=4 4685 B14R0.432 CCC[C@H](N)CCOCCCSC(=O)C 34a_100015193777_100000038929 [0,1,0,0,0,0|3,0,0]=4 4686 B14R0.432 CCC[C@H](N)CCOCCOCC(=O)N 34a_100015193777_100000076697 [0,1,0,0,0,0|3,0,0]=4 4687 B14R0.432 CCC[C@H](N)COCCCCCC(=O)N 34a_100000732646_100009817443 [0,1,0,0,0,0|2,0,0]=3 4688 B14R0.432 CCC[C@H](N)COCCCCOC(=O)C 34a_100000732646_100000033659 [0,1,0,0,0,0|3,0,0]=4 4689 B14R0.432 CCC[C@H](N)COCCCCSC(=O)C 34a_100000732646_200010402107 [0,1,0,0,0,0|3,0,0]=4 4690 B14R0.432 CCOC(=O)CCCCCCCC(=O)C 1458a_100000070787_100009991516 [0,1,0,0,0,0|2,0,1]=4 4691 B14R0.432 COCC(N)COCCCCCC(=O)N 34a_100000724102_100009817443 [0,1,0,0,0,0|3,0,0]=4 4692 B14R0.432 COCC(O)CNCCCCCC(=O)N 2230a_100000756049_100009817443 [0,1,0,0,0,0|3,0,0]=4 4693 B14R0.432 COCC(O)CNCCCCCC(=O)N 34a_100000756049_100009817443 [0,1,0,0,0,0|3,0,0]=4 4694 B14R0.432 COCC(O)COCCCCCC(=O)N 34a_100000123541_100011215053 [0,1,0,0,0,0|3,0,0]=4 4695 B14R0.432 COCC(O)COCCCCCC(=O)N 7a_100000123541_100011215053 [0,1,0,0,0,0|3,0,0]=4 4696 B14R0.432 COCC(O)COCCCCCC(=O)[O-] 7a_100102619762_100011215053 [0,1,0,0,0,0|3,0,0]=4 4697 B14R0.432 COCC(O)CSCCCCCC(=O)N 62a_100009817443_100011215053 [0,1,0,0,0,0|3,0,0]=4 4698 B14R0.432 COCC(O)CSCCCCCC(=O)N 62a_100011215053_100009817443 [0,1,0,0,0,0|3,0,0]=4 4699 B14R0.2224 C=C(C)COCCC(C)CCCCCC 34a_200011024964_100000748629 [0,1,0,0,0,0|3,0,0]=4 4700 B14R0.2224 C=C(C)COCCC(C)CCCCCC 7a_200011024964_100000748629 [0,1,0,0,0,0|3,0,0]=4 4701 B14R0.2224 C=C(F)COCCC(C)CCCCCC 34a_200011024964_100009893438 [0,1,0,0,0,0|2,1,0]=4 4702 B14R0.2224 C=C(F)COCCC(C)CCCCCC 7a_200011024964_100000042424 [0,1,0,0,0,0|2,1,0]=4 4703 B14R0.2224 CC(=O)CCCCC(=O)CCCCCO 1458a_100102619762_100000735457 [0,1,0,0,0,0|2,0,1]=4 4704 B14R0.2224 CC(=O)CCCCN(C)CCCCCO 269982a_100000722520_100000735457 [0,1,0,0,0,0|3,0,0]=4 4705 B14R0.2224 CCCCCCC(=O)CCCCC(=O)C 1458a_100102632555_100000735457 [0,1,0,0,0,0|1,0,1]=3 4706 B14R0.2224 CCCCCCC(=O)CCCNC(=O)C 1458a_100000194741_100000210757 [0,1,0,0,0,0|2,0,1]=4 4707 B14R0.2224 CCCCCCC(=O)CCCOC(=O)C 1458a_100102632555_100000042594 [0,1,0,0,0,0|2,0,1]=4 4708 B14R0.2224 CCCCCCC(=O)CCCSC(=O)C 1458a_100102632555_100000038929 [0,1,0,0,0,0|2,0,1]=4 4709 B14R0.2224 CCCCCCC(=O)CCOCC(=O)N 1458a_100102632555_100000076697 [0,1,0,0,0,0|2,0,1]=4 4710 B14R0.2224 CCCCCCC(=O)CCSCC(=O)N 1458a_100000148550_100000210757 [0,1,0,0,0,0|2,0,1]=4 4711 B14R0.2224 CCCCCCC(=O)NCCCC(=O)N 240690a_100000739312_100102632555 [0,1,0,0,0,0|2,0,1]=4 4712 B14R0.2224 CCCCCCC(=O)NCCCC(=O)N 527a_100000739312_100102632555 [0,1,0,0,0,0|2,0,1]=4 4713 B14R0.2224 CCCCCCC(C)CCOCC(=O)N 34a_200011024964_100000187820 [0,1,0,0,0,0|2,0,0]=3 4714 B14R0.2224 CCCCCCC(C)CCOCC(=O)N 7a_200011024964_100000187820 [0,1,0,0,0,0|2,0,0]=3 4715 B14R0.2224 CCCCCCC(C)CCOCC(=O)[O-] 34a_200011024964_100020667443 [0,1,0,0,0,0|2,0,0]=3 4716 B14R0.2224 CCCCCCC(C)CCOC[N+](=O)[O-] 34a_200011024964_100000761209 [0,1,0,0,0,0|3,0,0]=4 4717 B14R0.2224 CCCCCCC(C)NCCCC(=O)C 34a_100000210919_100000685027 [0,1,0,0,0,0|2,0,0]=3 4718 B14R0.2224 CCCCCCC(C)NCCCC(=O)N 34a_100000210919_100102525003 [0,1,0,0,0,0|2,0,0]=3 4719 B14R0.2224 CCCCCCC(C)NCCCC(=O)N 34a_100000739312_100011215978 [0,1,0,0,0,0|2,0,0]=3 4720 B14R0.2224 CCCCCCC(C)NCCCS(=O)C 2230a_200000753449_100011215978 [0,1,0,0,0,0|3,0,0]=4 4721 B14R0.2224 CCCCCCC(C)NCCCS(=O)C 270004a_200000753449_100000210826 [0,1,0,0,0,0|3,0,0]=4 4722 B14R0.2224 CCCCCCC(C)NCCNC(=O)C 2230a_100000209853_100011215978 [0,1,0,0,0,0|3,0,0]=4 4723 B14R0.2224 CCCCCCC(C)NCCNC(=O)C 2230a_100000210919_100000189650 [0,1,0,0,0,0|3,0,0]=4 4724 B14R0.2224 CCCCCCC(C)NCCNC(=O)N 2230a_100000210919_200000034859 [0,1,0,0,0,0|3,0,0]=4 4725 B14R0.2224 CCCCCCC(C)NCCNC(=O)N 34a_100020590234_100011215978 [0,1,0,0,0,0|3,0,0]=4 4726 B14R0.2224 CCCCCCC(C)NCCOC(=O)C 34a_100000210919_100009814007 [0,1,0,0,0,0|3,0,0]=4 4727 B14R0.2224 CCCCCCC(C)NCCOC(=O)N 34a_100000210919_200011214921 [0,1,0,0,0,0|3,0,0]=4 4728 B14R0.2224 CCCCCCC(C)OCCCC(=O)C 34a_100000210265_100000685027 [0,1,0,0,0,0|2,0,0]=3 4729 B14R0.2224 CCCCCCC(C)OCCCC(=O)C 34a_100000759063_100011215978 [0,1,0,0,0,0|2,0,0]=3 4730 B14R0.2224 CCCCCCC(C)OCCCC(=O)C 7a_100000210265_100011215641 [0,1,0,0,0,0|2,0,0]=3 4731 B14R0.2224 CCCCCCC(C)OCCCC(=O)C 7a_100000759063_100011215978 [0,1,0,0,0,0|2,0,0]=3 4732 B14R0.2224 CCCCCCC(C)OCCCC(=O)N 34a_100000210265_100102525003 [0,1,0,0,0,0|2,0,0]=3 4733 B14R0.2224 CCCCCCC(C)OCCCC(=O)N 7a_100000210265_100102525003 [0,1,0,0,0,0|2,0,0]=3 4734 B14R0.2224 CCCCCCC(C)OCCC[N+](=O)[O-] 34a_200000037920_100011215978 [0,1,0,0,0,0|3,0,0]=4 4735 B14R0.2224 CCCCCCC(C)OCCNC(=O)C 34a_100000158858_100011215978 [0,1,0,0,0,0|3,0,0]=4 4736 B14R0.2224 CCCCCCC(C)OCCNC(=O)C 7a_100000210265_100000189650 [0,1,0,0,0,0|3,0,0]=4 4737 B14R0.2224 CCCCCCC(C)OCCNC(=O)N 34a_100000181757_100011215978 [0,1,0,0,0,0|3,0,0]=4 4738 B14R0.2224 CCCCCCC(C)OCCNC(=O)N 7a_100000210265_200000034859 [0,1,0,0,0,0|3,0,0]=4 4739 B14R0.2224 CCCCCCC(C)OCCOC(=O)C 34a_100000210265_100009814007 [0,1,0,0,0,0|3,0,0]=4 4740 B14R0.2224 CCCCCCC(C)OCCOC(=O)C 7a_100000210265_100009814007 [0,1,0,0,0,0|3,0,0]=4 4741 B14R0.2224 CCCCCCC(C)OCCOC(=O)N 34a_100000210265_200011214921 [0,1,0,0,0,0|3,0,0]=4 4742 B14R0.2224 CCCCCCC(C)OCCOC(=O)N 7a_100000210265_200011214921 [0,1,0,0,0,0|3,0,0]=4 4743 B14R0.2224 CCCCCCC(C)OCCOC(=O)N 7a_100000766696_100011215978 [0,1,0,0,0,0|3,0,0]=4 4744 B14R0.2224 CCCCCCC(C)SCCCC(=O)C 62a_100011215641_100011215978 [0,1,0,0,0,0|2,0,0]=3 4745 B14R0.2224 CCCCCCC(C)SCCCC(=O)C 62a_100011215978_100011215641 [0,1,0,0,0,0|2,0,0]=3 4746 B14R0.2224 CCCCCCC(C)SCCCC(=O)N 62a_100011215978_100102525003 [0,1,0,0,0,0|2,0,0]=3 4747 B14R0.2224 CCCCCCC(C)SCCCC(=O)N 62a_100102525003_100011215978 [0,1,0,0,0,0|2,0,0]=3 4748 B14R0.2224 CCCCCCC(C)SCCNC(=O)C 62a_100000189650_100011215978 [0,1,0,0,0,0|3,0,0]=4 4749 B14R0.2224 CCCCCCC(C)SCCNC(=O)C 62a_100011215978_100000189650 [0,1,0,0,0,0|3,0,0]=4 4750 B14R0.2224 CCCCCCC(C)SCCNC(=O)N 62a_100011215978_200000034859 [0,1,0,0,0,0|3,0,0]=4 4751 B14R0.2224 CCCCCCC(C)SCCNC(=O)N 62a_200000034859_100011215978 [0,1,0,0,0,0|3,0,0]=4 4752 B14R0.2224 CCCCCCC(C)SCCOC(=O)C 62a_100009814007_100011215978 [0,1,0,0,0,0|3,0,0]=4 4753 B14R0.2224 CCCCCCC(C)SCCOC(=O)C 62a_100011215978_100009814007 [0,1,0,0,0,0|3,0,0]=4 4754 B14R0.2224 CCCCCCC(C)SCCOC(=O)N 62a_100011215978_200011214921 [0,1,0,0,0,0|3,0,0]=4 4755 B14R0.2224 CCCCCCC(C)SCCOC(=O)N 62a_200011214921_100011215978 [0,1,0,0,0,0|3,0,0]=4 4756 B14R0.2224 CCCCCCN(C)CCCCC(=O)C 269982a_106256046315_100000735457 [0,1,0,0,0,0|2,0,0]=3 4757 B14R0.2224 CCCCCCN(C)CCCOC(=O)C 269982a_106256046315_100000042594 [0,1,0,0,0,0|3,0,0]=4 4758 B14R0.2224 CCCCCCN(C)CCCSC(=O)C 2230a_106256046315_100000038929 [0,1,0,0,0,0|3,0,0]=4 4759 B14R0.2224 CCCCCCN(C)CCCSC(=O)C 269982a_106256046315_100000038929 [0,1,0,0,0,0|3,0,0]=4 4760 B14R0.2224 CCCCCCN(C)CCOCC(=O)N 2230a_106256046315_100000076697 [0,1,0,0,0,0|3,0,0]=4 4761 B14R0.2224 CCCCCCN(C)CCOCC(=O)N 269982a_106256046315_100000076697 [0,1,0,0,0,0|3,0,0]=4 4762 B14R0.2224 CCCCOCC(=O)CCCCC(=O)C 1458a_100000757543_100000735457 [0,1,0,0,0,0|2,0,1]=4 4763 B14R0.2224 CCCCOCC(C)OCCCC(=O)C 34a_100011217071_100000685027 [0,1,0,0,0,0|3,0,0]=4 4764 B14R0.2224 CCCCOCC(C)OCCCC(=O)C 7a_100011217071_100011215641 [0,1,0,0,0,0|3,0,0]=4 4765 B14R0.2224 CCCCOCC(C)OCCCC(=O)N 34a_100011217071_100102525003 [0,1,0,0,0,0|3,0,0]=4 4766 B14R0.2224 CCCCOCC(C)OCCCC(=O)N 7a_100011217071_100102525003 [0,1,0,0,0,0|3,0,0]=4 4767 B14R0.2224 CCCCSCC(=O)CCCCC(=O)C 1458a_100000191162_100000735457 [0,1,0,0,0,0|2,0,1]=4 4768 B14R1.26 CCCCCCCN1CCNC(=O)C1 2230a_100000184651_100000210681 [0,0,0,1,0,0|3,0,0]=4 4769 B14R1.26 CCCCCCCN1CCOC(=O)C1 2230a_100000131268_100000210681 [0,0,0,1,0,0|3,0,0]=4 4770 B14R1.26 CCCCCCNC1CCNC(=O)C1 2230a_100016994916_100000210314 [0,0,0,1,0,0|3,0,0]=4 4771 B14R1.26 CCCCCCNC1CCNC(=O)C1 34a_100016994916_100000210314 [0,0,0,1,0,0|3,0,0]=4 4772 B14R1.26 CCCCCCOC1C=C(CCC1)C 34a_100011218613_100000210314 [0,0,0,1,0,0|3,0,0]=4 4773 B14R1.26 CCCCCCOC1CCCC(=O)C1 34a_100012613340_100000210314 [0,0,0,1,0,0|2,0,0]=3 4774 B14R1.26 CCCCCCO[C@@H]1CCNC(=O)C1 34a_100015189427_100000210314 [0,0,0,1,0,0|3,0,0]=4 4775 B14R1.26 CCCCCOCC1CCCC(=O)N1 34a_200000102386_100000718602 [0,0,0,1,0,0|2,0,0]=3 4776 B14R1.26 CCCCCOCC1CCNC(=O)C1 34a_100009886756_100000718602 [0,0,0,1,0,0|3,0,0]=4 4777 B14R1.26 CCCCCOCC1COCC(=O)N1 34a_200000101122_100000718602 [0,0,0,1,0,0|3,0,0]=4 4778 B14R1.26 CCCCOCOC1CCCC(=O)C1 34a_100012613340_100011995733 [0,0,0,1,0,0|3,0,0]=4 4779 B14R1.26 CCCOCCOC1CCCC(=O)C1 34a_100012613340_100011215938 [0,0,0,1,0,0|3,0,0]=4 4780 B14R1.26 CCOCCCOC1CCCC(=O)C1 34a_100012613340_100012232248 [0,0,0,1,0,0|3,0,0]=4 4781 B14R1.26 CCOCCOCC1CCCC(=O)N1 34a_200000102386_100000210147 [0,0,0,1,0,0|3,0,0]=4 4782 B14R1.26 CCSCCOCC1CCCC(=O)N1 34a_200000102386_100000757381 [0,0,0,1,0,0|3,0,0]=4 4783 B14R1.26 COCCCCOC1CCCC(=O)C1 34a_100012613340_100000755781 [0,0,0,1,0,0|3,0,0]=4 4784 B14R1.26 COCCCOCC1CCCC(=O)N1 34a_200000102386_100000740836 [0,0,0,1,0,0|3,0,0]=4 4785 B14R1.26 O=C1CCCC(C1)OCCCCCF 34a_100012613340_100000729378 [0,0,0,1,0,0|3,0,0]=4 4786 B14R1.26 O=C1CCCC(C1)OCCCCCO 34a_100012613340_100000746330 [0,0,0,1,0,0|3,0,0]=4 4787 B14R1.26 O=C1CCCC(N1)COCCCCF 34a_200000102386_100000729493 [0,0,0,1,0,0|3,0,0]=4 4788 B14R1.26 O=C1CCCC(N1)COCCCCO 34a_200000102386_100011216708 [0,0,0,1,0,0|3,0,0]=4 4789 B14R1.96 C=C(C)CCOC1CCCCC1CC 34a_100000210738_100000730704 [0,0,0,1,0,0|3,0,0]=4 4790 B14R1.96 C=C(C)CCOC1CCCCC1CC 7a_100000210738_100000730704 [0,0,0,1,0,0|3,0,0]=4 4791 B14R1.96 CC(=O)CCCN1CCCCC1CO 269982a_100000210821_100011215641 [0,0,0,1,0,0|3,0,0]=4 4792 B14R1.96 CC(=O)CCCN1CCCCC1CO 34a_100000210821_100000685027 [0,0,0,1,0,0|3,0,0]=4 4793 B14R1.96 CCC1CCCCC1NCCC(=O)N 269862a_100000740010_100000757040 [0,0,0,1,0,0|2,0,0]=3 4794 B14R1.96 CCC1CCCCC1OCCC(=O)C 7a_100000210738_100000053229 [0,0,0,1,0,0|2,0,0]=3 4795 B14R1.96 CCC1CCCCC1OCCC(=O)N 34a_100000210738_100000731001 [0,0,0,1,0,0|2,0,0]=3 4796 B14R1.96 CCC1CCCCC1OCCC(=O)N 7a_100000210738_100000744528 [0,0,0,1,0,0|2,0,0]=3 4797 B14R1.96 CCC1CCCCC1OCOC(=O)C 34a_100000210738_100009813279 [0,0,0,1,0,0|3,0,0]=4 4798 B14R1.96 CCC1CCCCN1CCCC(=O)C 269982a_100000210034_100011215641 [0,0,0,1,0,0|2,0,0]=3 4799 B14R1.96 CCC1CCCCN1CCCC(=O)C 34a_100000210034_100000685027 [0,0,0,1,0,0|2,0,0]=3 4800 B14R1.96 CCC1CCCCN1CCCC(=O)N 269982a_100000210034_100102525003 [0,0,0,1,0,0|2,0,0]=3 4801 B14R1.96 CCC1CCCCN1CCCC(=O)N 34a_100000210034_100102525003 [0,0,0,1,0,0|2,0,0]=3 4802 B14R1.96 CCC1CCCCN1CCNC(=O)C 11a_100000755458_100015343762 [0,0,0,1,0,0|3,0,0]=4 4803 B14R1.96 CCC1CCCCN1CCNC(=O)C 1626a_100000755458_100015343762 [0,0,0,1,0,0|3,0,0]=4 4804 B14R1.96 CCC1CCCCN1CCNC(=O)C 2230a_100000210034_100000189650 [0,0,0,1,0,0|3,0,0]=4 4805 B14R1.96 CCC1CCCCN1CCNC(=O)C 240690a_100000755458_100015343762 [0,0,0,1,0,0|3,0,0]=4 4806 B14R1.96 CCC1CCCCN1CCNC(=O)C 269982a_100000210034_100000189650 [0,0,0,1,0,0|3,0,0]=4 4807 B14R1.96 CCC1CCCCN1CCNC(=O)C 527a_100000755458_100103153847 [0,0,0,1,0,0|3,0,0]=4 4808 B14R1.96 CCC1CCCCN1CCNC(=O)N 2230a_100000210034_200000034859 [0,0,0,1,0,0|3,0,0]=4 4809 B14R1.96 CCC1CCCCN1CCNC(=O)N 269982a_100000210034_200000034859 [0,0,0,1,0,0|3,0,0]=4 4810 B14R1.96 CCC1CCCCN1CCOC(=O)C 269982a_100000210034_100009814007 [0,0,0,1,0,0|3,0,0]=4 4811 B14R1.96 CCC1CCCCN1CCOC(=O)C 34a_100000210034_100009814007 [0,0,0,1,0,0|3,0,0]=4 4812 B14R1.96 CCC1CCCCN1CCOC(=O)N 269982a_100000210034_200011214921 [0,0,0,1,0,0|3,0,0]=4 4813 B14R1.96 CCC1CCCCN1CCOC(=O)N 34a_100000210034_200011214921 [0,0,0,1,0,0|3,0,0]=4 4814 B14R1.96 CCN1CCCCC1CCNC(=O)C 2230a_200011221479_100000210202 [0,0,0,1,0,0|3,0,0]=4 4815 B14R1.96 CCN1CCCCC1CCNC(=O)C 269982a_200011221479_100000204670 [0,0,0,1,0,0|3,0,0]=4 4816 B14R1.96 CCN1CCCCC1CCNC(=O)C 34a_200011221479_100000210202 [0,0,0,1,0,0|3,0,0]=4 4817 B14R1.96 CCN1CCCCC1CNCC(=O)N 2230a_100000754393_100000747473 [0,0,0,1,0,0|3,0,0]=4 4818 B14R1.96 CCN1CCCCC1CNCC(=O)N 34a_100000754393_100000187820 [0,0,0,1,0,0|3,0,0]=4 4819 B14R1.96 CCN1CCCCC1CNCC(=O)[O-] 34a_100000754393_100020667443 [0,0,0,1,0,0|3,0,0]=4 4820 B14R1.96 CCN1CCCCC1COCC(=O)N 34a_100000225091_100000187820 [0,0,0,1,0,0|3,0,0]=4 4821 B14R1.96 CCN1CCCCC1COCC(=O)N 7a_100000225091_100000187820 [0,0,0,1,0,0|3,0,0]=4 4822 B14R1.96 CCN1CCCCC1COCC(=O)[O-] 34a_100000225091_100020667443 [0,0,0,1,0,0|3,0,0]=4 4823 B14R1.96 CC[C@H]1COCCN1CCCC(=O)C 269982a_100016988097_100011215641 [0,0,0,1,0,0|3,0,0]=4 4824 B14R1.96 CC[C@H]1COCCN1CCCC(=O)C 34a_100016988097_100000685027 [0,0,0,1,0,0|3,0,0]=4 4825 B14R1.96 CC[C@H]1COCCN1CCCC(=O)N 269982a_100016988097_100102525003 [0,0,0,1,0,0|3,0,0]=4 4826 B14R1.96 CC[C@H]1COCCN1CCCC(=O)N 34a_100016988097_100102525003 [0,0,0,1,0,0|3,0,0]=4 4827 B14R1.96 CN[C@@H]1CCCC[C@H]1OCCC(=O)N 34a_100000708425_100000731001 [0,0,0,1,0,0|3,0,0]=4 4828 B14R1.96 COC1CCCCC1NCCC(=O)N 34a_100011208099_100000731001 [0,0,0,1,0,0|3,0,0]=4 4829 B14R1.96 CO[C@H]1CCCC[C@@H]1OCCC(=O)C 7a_200009815850_100000053229 [0,0,0,1,0,0|3,0,0]=4 4830 B14R1.96 CO[C@H]1CCCC[C@@H]1OCCC(=O)N 34a_200009815850_100000731001 [0,0,0,1,0,0|3,0,0]=4 4831 B14R1.96 CO[C@H]1CCCC[C@@H]1OCCC(=O)N 7a_200009815850_100000744528 [0,0,0,1,0,0|3,0,0]=4 4832 B14R1.96 NC(=O)CCCN1CCCCC1CO 269982a_100000210821_100102525003 [0,0,0,1,0,0|3,0,0]=4 4833 B14R1.96 NC(=O)CCCN1CCCCC1CO 34a_100000210821_100102525003 [0,0,0,1,0,0|3,0,0]=4 4834 B14R1.96 NCC1CCCCC1OCCC(=O)N 34a_100011216029_100000731001 [0,0,0,1,0,0|3,0,0]=4 4835 B14R1.108 CC(=O)CCCCN1CCC[C@@H]1CO 269982a_100000745186_100000735457 [0,0,0,1,0,0|3,0,0]=4 4836 B14R1.108 CC(=O)CCCCN1CCC[C@@H]1CO 34a_100000745186_100009817362 [0,0,0,1,0,0|3,0,0]=4 4837 B14R1.108 CCC1CCCC1NCCCC(=O)N 269862a_100000739312_100000749056 [0,0,0,1,0,0|2,0,0]=3 4838 B14R1.108 CCC1CCCC1NCCCS(=O)C 270004a_200000753449_100000749056 [0,0,0,1,0,0|3,0,0]=4 4839 B14R1.108 CCC1CCCC1NCCNC(=O)C 269862a_100000209853_100000749056 [0,0,0,1,0,0|3,0,0]=4 4840 B14R1.108 CCC1CCCC1NCCNC(=O)N 269862a_100020590234_100000749056 [0,0,0,1,0,0|3,0,0]=4 4841 B14R1.108 CCC1CCCC1NCCSC(=O)C 269862a_100020647217_100000749056 [0,0,0,1,0,0|3,0,0]=4 4842 B14R1.108 CCC1CCCN1CCCCC(=O)C 269982a_100000754278_100000735457 [0,0,0,1,0,0|2,0,0]=3 4843 B14R1.108 CCC1CCCN1CCCCC(=O)C 34a_100000754278_100009817362 [0,0,0,1,0,0|2,0,0]=3 4844 B14R1.108 CCC1CCCN1CCCOC(=O)C 269982a_100000754278_100000042594 [0,0,0,1,0,0|3,0,0]=4 4845 B14R1.108 CCC1CCCN1CCCOC(=O)C 34a_100000754278_100000042594 [0,0,0,1,0,0|3,0,0]=4 4846 B14R1.108 CCC1CCCN1CCCSC(=O)C 2230a_100000754278_100000038929 [0,0,0,1,0,0|3,0,0]=4 4847 B14R1.108 CCC1CCCN1CCCSC(=O)C 269982a_100000754278_100000038929 [0,0,0,1,0,0|3,0,0]=4 4848 B14R1.108 CCC1CCCN1CCCSC(=O)C 34a_100000754278_100000038929 [0,0,0,1,0,0|3,0,0]=4 4849 B14R1.108 CCC1CCCN1CCOCC(=O)N 2230a_100000754278_100000076697 [0,0,0,1,0,0|3,0,0]=4 4850 B14R1.108 CCC1CCCN1CCOCC(=O)N 269982a_100000754278_100000076697 [0,0,0,1,0,0|3,0,0]=4 4851 B14R1.108 CCC1CCCN1CCOCC(=O)N 34a_100000754278_100000076697 [0,0,0,1,0,0|3,0,0]=4 4852 B14R1.108 CCN1CCCC1CNCCC(=O)N 2230a_100000211693_100000744528 [0,0,0,1,0,0|3,0,0]=4 4853 B14R1.108 CCN1CCC[C@@H]1COCCC(=O)C 7a_100011739246_100000053229 [0,0,0,1,0,0|3,0,0]=4 4854 B14R1.108 CCN1CCC[C@@H]1COCCC(=O)N 34a_100011739246_100000731001 [0,0,0,1,0,0|3,0,0]=4 4855 B14R1.108 CCN1CCC[C@@H]1COCCC(=O)N 7a_100011739246_100000744528 [0,0,0,1,0,0|3,0,0]=4 4856 B14R1.122 CCCCCCCCN1CNC(=O)C1 2230a_200000708111_100000210759 [0,0,0,1,0,0|3,0,0]=4 4857 B14R1.122 CCCCCCCNC1CNC(=O)C1 2230a_100000697751_100000210681 [0,0,0,1,0,0|3,0,0]=4 4858 B14R1.122 CCCCCCCOC1CCC(=O)C1 34a_100012614533_100000210614 [0,0,0,1,0,0|2,0,0]=3 4859 B14R1.122 CCCCCCCOC1CNC(=O)C1 34a_100000690082_100000210614 [0,0,0,1,0,0|3,0,0]=4 4860 B14R1.122 CCCCCCCOC1COC(=O)O1 34a_100000210272_100000032252 [0,0,0,1,0,0|3,0,0]=4 4861 B14R1.122 CCCCCCCSC1COC(=O)O1 62a_100000210614_100000032252 [0,0,0,1,0,0|3,0,0]=4 4862 B14R1.122 CCCCCCNCC1CNC(=O)C1 2230a_100016993742_100000210314 [0,0,0,1,0,0|3,0,0]=4 4863 B14R1.122 CCCCCCNCC1CNC(=O)C1 34a_100016993742_100000210314 [0,0,0,1,0,0|3,0,0]=4 4864 B14R1.122 CCCCCCNCC1CNC(=O)O1 2230a_100000210581_100000181169 [0,0,0,1,0,0|3,0,0]=4 4865 B14R1.122 CCCCCCNC[C@@H]1CCC(=O)N1 2230a_100000210581_100015189358 [0,0,0,1,0,0|2,0,0]=3 4866 B14R1.122 CCCCCCNC[C@H]1CCC(=O)N1 2230a_100015423886_100000210314 [0,0,0,1,0,0|2,0,0]=3 4867 B14R1.122 CCCCCCNC[C@H]1CCC(=O)N1 34a_100015423886_100000210314 [0,0,0,1,0,0|2,0,0]=3 4868 B14R1.122 CCCCCCNC[C@H]1COC(=O)N1 2230a_100000210581_100015307671 [0,0,0,1,0,0|3,0,0]=4 4869 B14R1.122 CCCCCCOCC1CCC(=O)N1 34a_100000737831_100000210314 [0,0,0,1,0,0|2,0,0]=3 4870 B14R1.122 CCCCCCOCC1CNC(=O)C1 34a_100016041077_100000210314 [0,0,0,1,0,0|3,0,0]=4 4871 B14R1.122 CCCCCCOCC1CNC(=O)O1 34a_100000210259_100000181169 [0,0,0,1,0,0|3,0,0]=4 4872 B14R1.122 CCCCCCOCC1CNC(=O)O1 34a_100011315639_100000210314 [0,0,0,1,0,0|3,0,0]=4 4873 B14R1.122 CCCCCCOCC1CNC(=O)O1 7a_100000210259_100000181169 [0,0,0,1,0,0|3,0,0]=4 4874 B14R1.122 CCCCCCOCC1COC(=O)O1 34a_100000210259_100000073702 [0,0,0,1,0,0|3,0,0]=4 4875 B14R1.122 CCCCCCOC[C@@H]1CCC(=O)N1 7a_100000210259_100015189358 [0,0,0,1,0,0|2,0,0]=3 4876 B14R1.122 CCCCCCOC[C@H]1COC(=O)N1 34a_100000210259_100015307671 [0,0,0,1,0,0|3,0,0]=4 4877 B14R1.122 CCCCCCOC[C@H]1COC(=O)N1 7a_100000210259_100015307671 [0,0,0,1,0,0|3,0,0]=4 4878 B14R1.122 CCCCCCSCC1CNC(=O)O1 62a_100000181169_100000210757 [0,0,0,1,0,0|3,0,0]=4 4879 B14R1.122 CCCCCCSCC1CNC(=O)O1 62a_100000210314_100000181169 [0,0,0,1,0,0|3,0,0]=4 4880 B14R1.122 CCCCCCSCC1COC(=O)O1 62a_100000073702_100000210757 [0,0,0,1,0,0|3,0,0]=4 4881 B14R1.122 CCCCCCSCC1COC(=O)O1 62a_100000210314_100000073702 [0,0,0,1,0,0|3,0,0]=4 4882 B14R1.122 CCCCCCSC[C@@H]1CCC(=O)N1 62a_100000210314_100015189358 [0,0,0,1,0,0|2,0,0]=3 4883 B14R1.122 CCCCCCSC[C@@H]1CCC(=O)N1 62a_100015189358_100000210757 [0,0,0,1,0,0|2,0,0]=3 4884 B14R1.122 CCCCCCSC[C@H]1COC(=O)N1 62a_100000210314_100015307671 [0,0,0,1,0,0|3,0,0]=4 4885 B14R1.122 CCCCCCSC[C@H]1COC(=O)N1 62a_100015307671_100000210757 [0,0,0,1,0,0|3,0,0]=4 4886 B14R1.122 CCCCOCCOC1CCC(=O)C1 34a_100012614533_100000743108 [0,0,0,1,0,0|3,0,0]=4 4887 B14R1.122 CCCCOCNC[C@H]1CCC(=O)N1 2230a_100015423886_100011995733 [0,0,0,1,0,0|3,0,0]=4 4888 B14R1.122 CCCCOCNC[C@H]1CCC(=O)N1 34a_100015423886_100011995733 [0,0,0,1,0,0|3,0,0]=4 4889 B14R1.122 CCCCOCOCC1CCC(=O)N1 34a_100000737831_100011995733 [0,0,0,1,0,0|3,0,0]=4 4890 B14R1.122 CCCCOCSC[C@@H]1CCC(=O)N1 62a_100011995733_100015189358 [0,0,0,1,0,0|3,0,0]=4 4891 B14R1.122 CCCCOCSC[C@@H]1CCC(=O)N1 62a_100015189358_100011995733 [0,0,0,1,0,0|3,0,0]=4 4892 B14R1.122 CCCOCCNC[C@@H]1CCC(=O)N1 2230a_100161115042_100015189358 [0,0,0,1,0,0|3,0,0]=4 4893 B14R1.122 CCCOCCNC[C@H]1CCC(=O)N1 2230a_100015423886_100011215938 [0,0,0,1,0,0|3,0,0]=4 4894 B14R1.122 CCCOCCNC[C@H]1CCC(=O)N1 34a_100015423886_100011215938 [0,0,0,1,0,0|3,0,0]=4 4895 B14R1.122 CCCOCCOCC1CCC(=O)N1 34a_100000737831_100011215938 [0,0,0,1,0,0|3,0,0]=4 4896 B14R1.122 CCCOCCOC[C@@H]1CCC(=O)N1 7a_100000752267_100015189358 [0,0,0,1,0,0|3,0,0]=4 4897 B14R1.122 CCCOCCSC[C@@H]1CCC(=O)N1 62a_100011215938_100015189358 [0,0,0,1,0,0|3,0,0]=4 4898 B14R1.122 CCCOCCSC[C@@H]1CCC(=O)N1 62a_100015189358_100011215938 [0,0,0,1,0,0|3,0,0]=4 4899 B14R1.122 CCCSCCNC[C@@H]1CCC(=O)N1 2230a_100020603323_100015189358 [0,0,0,1,0,0|3,0,0]=4 4900 B14R1.122 CCCSCCOC[C@@H]1CCC(=O)N1 7a_200000230433_100015189358 [0,0,0,1,0,0|3,0,0]=4 4901 B14R1.122 CCOCCCNC[C@@H]1CCC(=O)N1 2230a_100000210961_100015189358 [0,0,0,1,0,0|3,0,0]=4 4902 B14R1.122 CCOCCCNC[C@H]1CCC(=O)N1 2230a_100015423886_100012232248 [0,0,0,1,0,0|3,0,0]=4 4903 B14R1.122 CCOCCCNC[C@H]1CCC(=O)N1 34a_100015423886_100012232248 [0,0,0,1,0,0|3,0,0]=4 4904 B14R1.122 CCOCCCOCC1CCC(=O)N1 34a_100000737831_100012232248 [0,0,0,1,0,0|3,0,0]=4 4905 B14R1.122 CCOCCCOC[C@@H]1CCC(=O)N1 7a_100000757476_100015189358 [0,0,0,1,0,0|3,0,0]=4 4906 B14R1.122 CCOCCCSC[C@@H]1CCC(=O)N1 62a_100012232248_100015189358 [0,0,0,1,0,0|3,0,0]=4 4907 B14R1.122 CCOCCCSC[C@@H]1CCC(=O)N1 62a_100015189358_100012232248 [0,0,0,1,0,0|3,0,0]=4 4908 B14R1.122 CCSCCCOC[C@@H]1CCC(=O)N1 7a_100011216438_100015189358 [0,0,0,1,0,0|3,0,0]=4 4909 B14R1.122 COCCCCNC[C@H]1CCC(=O)N1 2230a_100015423886_100000730899 [0,0,0,1,0,0|3,0,0]=4 4910 B14R1.122 COCCCCNC[C@H]1CCC(=O)N1 34a_100015423886_100000755781 [0,0,0,1,0,0|3,0,0]=4 4911 B14R1.122 COCCCCOCC1CCC(=O)N1 34a_100000737831_100000755781 [0,0,0,1,0,0|3,0,0]=4 4912 B14R1.122 COCCCCSC[C@@H]1CCC(=O)N1 62a_100000730899_100015189358 [0,0,0,1,0,0|3,0,0]=4 4913 B14R1.122 COCCCCSC[C@@H]1CCC(=O)N1 62a_100015189358_100000730899 [0,0,0,1,0,0|3,0,0]=4 4914 B14R1.122 CSCCCCOC[C@@H]1CCC(=O)N1 7a_100011217163_100015189358 [0,0,0,1,0,0|3,0,0]=4 4915 B14R1.122 O=C1CCC(C1)OCCCCCCF 34a_100012614533_100015922095 [0,0,0,1,0,0|3,0,0]=4 4916 B14R1.122 O=C1CCC(C1)OCCCCCCO 34a_100012614533_100000766143 [0,0,0,1,0,0|3,0,0]=4 4917 B14R1.122 O=C1CCC(N1)COCCCCCF 34a_100000737831_100000729378 [0,0,0,1,0,0|3,0,0]=4 4918 B14R1.122 O=C1CCC(N1)COCCCCCO 34a_100000737831_100000746330 [0,0,0,1,0,0|3,0,0]=4 4919 B14R1.122 O=C1CC[C@@H](N1)CNCCCCCF 2230a_100015423886_100000729378 [0,0,0,1,0,0|3,0,0]=4 4920 B14R1.122 O=C1CC[C@@H](N1)CNCCCCCF 34a_100015423886_100000729378 [0,0,0,1,0,0|3,0,0]=4 4921 B14R1.122 O=C1CC[C@@H](N1)CNCCCCCO 2230a_100015423886_100000746330 [0,0,0,1,0,0|3,0,0]=4 4922 B14R1.122 O=C1CC[C@@H](N1)CNCCCCCO 34a_100015423886_100000746330 [0,0,0,1,0,0|3,0,0]=4 4923 B14R1.122 O=C1CC[C@H](N1)CNCCCCCO 2230a_100000762737_100015189358 [0,0,0,1,0,0|3,0,0]=4 4924 B14R1.122 O=C1CC[C@H](N1)COCCCCCBr 7a_100000746331_100015189358 [0,0,0,1,0,0|3,0,0]=4 4925 B14R1.122 O=C1CC[C@H](N1)COCCCCCCl 7a_100000746330_100015189358 [0,0,0,1,0,0|3,0,0]=4 4926 B14R1.122 O=C1CC[C@H](N1)COCCCCCI 7a_200012148887_100015189358 [0,0,0,1,0,0|3,0,0]=4 4927 B14R1.122 O=C1CC[C@H](N1)CSCCCCCF 62a_100000729378_100015189358 [0,0,0,1,0,0|3,0,0]=4 4928 B14R1.122 O=C1CC[C@H](N1)CSCCCCCF 62a_100015189358_100000729378 [0,0,0,1,0,0|3,0,0]=4 4929 B14R1.122 O=C1CC[C@H](N1)CSCCCCCO 62a_100000746330_100015189358 [0,0,0,1,0,0|3,0,0]=4 4930 B14R1.122 O=C1CC[C@H](N1)CSCCCCCO 62a_100015189358_100000746330 [0,0,0,1,0,0|3,0,0]=4 4931 B14R1.159 CC(=O)CCCCN1CCCCC1C 269982a_100000211376_100000735457 [0,0,0,1,0,0|2,0,0]=3 4932 B14R1.159 CC(=O)CCCCN1CCCCC1C 34a_100000211376_100009817362 [0,0,0,1,0,0|2,0,0]=3 4933 B14R1.159 CC(=O)CCCCN1CCOC[C@@H]1C 269982a_100009815349_100000735457 [0,0,0,1,0,0|3,0,0]=4 4934 B14R1.159 CC(=O)CCCCN1CCOC[C@@H]1C 34a_100009815349_100009817362 [0,0,0,1,0,0|3,0,0]=4 4935 B14R1.159 CC(=O)CCCNC1CCCCC1C 34a_100000211402_100000685027 [0,0,0,1,0,0|2,0,0]=3 4936 B14R1.159 CC(=O)CCCN[C@@H]1CCCC[C@H]1F 34a_100015195156_100000685027 [0,0,0,1,0,0|3,0,0]=4 4937 B14R1.159 CC(=O)CCCOC1CCCCC1C 34a_100000211207_100000685027 [0,0,0,1,0,0|2,0,0]=3 4938 B14R1.159 CC(=O)CCCOC1CCCCC1C 7a_100000211207_100011215641 [0,0,0,1,0,0|2,0,0]=3 4939 B14R1.159 CC(=O)CCCOC1CCCCC1Cl 34a_100000038908_100000685027 [0,0,0,1,0,0|3,0,0]=4 4940 B14R1.159 CC(=O)CCCOC1CCCCC1Cl 7a_100000038908_100011215641 [0,0,0,1,0,0|3,0,0]=4 4941 B14R1.159 CC(=O)CCCOC1CCCCC1F 34a_100000759063_100015423560 [0,0,0,1,0,0|3,0,0]=4 4942 B14R1.159 CC(=O)CCCOC1CCCCC1O 34a_100000759063_100000038908 [0,0,0,1,0,0|3,0,0]=4 4943 B14R1.159 CC(=O)CCCOC1CCNCC1C 34a_100011998114_100000685027 [0,0,0,1,0,0|3,0,0]=4 4944 B14R1.159 CC(=O)CCCOC1CNCCC1C 34a_100000696640_100000685027 [0,0,0,1,0,0|3,0,0]=4 4945 B14R1.159 CC(=O)CCCO[C@@H]1CCCC[C@H]1F 34a_100009816020_100000685027 [0,0,0,1,0,0|3,0,0]=4 4946 B14R1.159 CC(=O)CCCO[C@@H]1CCCC[C@H]1F 7a_100009816020_100011215641 [0,0,0,1,0,0|3,0,0]=4 4947 B14R1.159 CC(=O)CCCO[C@H]1CCCC[C@H]1N 34a_100015191688_100000685027 [0,0,0,1,0,0|3,0,0]=4 4948 B14R1.159 CC(=O)CCCSC1CCCCC1F 62a_100011215641_100015423560 [0,0,0,1,0,0|3,0,0]=4 4949 B14R1.159 CC(=O)CCCSC1CCCCC1F 62a_100015423560_100011215641 [0,0,0,1,0,0|3,0,0]=4 4950 B14R1.159 CC(=O)CCCSC1CCCCC1O 62a_100000038908_100011215641 [0,0,0,1,0,0|3,0,0]=4 4951 B14R1.159 CC(=O)CCCSC1CCCCC1O 62a_100011215641_100000038908 [0,0,0,1,0,0|3,0,0]=4 4952 B14R1.159 CC(=O)CCOCC1CCCCN1C 34a_100000759926_100015186950 [0,0,0,1,0,0|3,0,0]=4 4953 B14R1.159 CC(=O)CCOCC1CCCCN1C 7a_100000759926_100015185383 [0,0,0,1,0,0|3,0,0]=4 4954 B14R1.159 CC(=O)CCSCC1CCCCN1C 62a_100000053229_100015185383 [0,0,0,1,0,0|3,0,0]=4 4955 B14R1.159 CC(=O)CCSCC1CCCCN1C 62a_100015185383_100000053229 [0,0,0,1,0,0|3,0,0]=4 4956 B14R1.159 CC(=O)COCCC1CCCCN1C 34a_100000211253_100000211948 [0,0,0,1,0,0|3,0,0]=4 4957 B14R1.159 CC(=O)NCCCN1CCCCC1C 240690a_100000212276_100015343762 [0,0,0,1,0,0|3,0,0]=4 4958 B14R1.159 CC(=O)NCCCN1CCCCC1C 527a_100000212276_100103153847 [0,0,0,1,0,0|3,0,0]=4 4959 B14R1.159 CC(=O)NCCNC1CCCCC1C 2230a_100000211402_100000189650 [0,0,0,1,0,0|3,0,0]=4 4960 B14R1.159 CC(=O)NCCNC1CCCCC1C 269862a_100000209853_100000210921 [0,0,0,1,0,0|3,0,0]=4 4961 B14R1.159 CC(=O)NCCOC1CCCCC1C 7a_100000211207_100000189650 [0,0,0,1,0,0|3,0,0]=4 4962 B14R1.159 CC(=O)OCCCN1CCCCC1C 269982a_100000211376_100000042594 [0,0,0,1,0,0|3,0,0]=4 4963 B14R1.159 CC(=O)OCCCN1CCCCC1C 34a_100000211376_100000042594 [0,0,0,1,0,0|3,0,0]=4 4964 B14R1.159 CC(=O)OCCNC1CCCCC1C 34a_100000211402_100009814007 [0,0,0,1,0,0|3,0,0]=4 4965 B14R1.159 CC(=O)OCCOC1CCCCC1C 34a_100000211207_100009814007 [0,0,0,1,0,0|3,0,0]=4 4966 B14R1.159 CC(=O)OCCOC1CCCCC1C 7a_100000211207_100009814007 [0,0,0,1,0,0|3,0,0]=4 4967 B14R1.159 CC(=O)SCCCN1CCCCC1C 2230a_100000211376_100000038929 [0,0,0,1,0,0|3,0,0]=4 4968 B14R1.159 CC(=O)SCCCN1CCCCC1C 269982a_100000211376_100000038929 [0,0,0,1,0,0|3,0,0]=4 4969 B14R1.159 CC(=O)SCCCN1CCCCC1C 34a_100000211376_100000038929 [0,0,0,1,0,0|3,0,0]=4 4970 B14R1.159 CC(=O)SCCNC1CCCCC1C 269862a_100020647217_100000210921 [0,0,0,1,0,0|3,0,0]=4 4971 B14R1.159 CC1CCCCC1NCCCC(=O)N 269862a_100000739312_100000210921 [0,0,0,1,0,0|2,0,0]=3 4972 B14R1.159 CC1CCCCC1NCCCC(=O)N 34a_100000211402_100102525003 [0,0,0,1,0,0|2,0,0]=3 4973 B14R1.159 CC1CCCCC1NCCCS(=O)C 270004a_200000753449_100000210921 [0,0,0,1,0,0|3,0,0]=4 4974 B14R1.159 CC1CCCCC1NCCNC(=O)N 2230a_100000211402_200000034859 [0,0,0,1,0,0|3,0,0]=4 4975 B14R1.159 CC1CCCCC1NCCNC(=O)N 269862a_100020590234_100000210921 [0,0,0,1,0,0|3,0,0]=4 4976 B14R1.159 CC1CCCCC1NCCOC(=O)N 34a_100000211402_200011214921 [0,0,0,1,0,0|3,0,0]=4 4977 B14R1.159 CC1CCCCC1OCCCC(=O)N 34a_100000211207_100102525003 [0,0,0,1,0,0|2,0,0]=3 4978 B14R1.159 CC1CCCCC1OCCCC(=O)N 7a_100000211207_100102525003 [0,0,0,1,0,0|2,0,0]=3 4979 B14R1.159 CC1CCCCC1OCCNC(=O)N 7a_100000211207_200000034859 [0,0,0,1,0,0|3,0,0]=4 4980 B14R1.159 CC1CCCCC1OCCOC(=O)N 34a_100000211207_200011214921 [0,0,0,1,0,0|3,0,0]=4 4981 B14R1.159 CC1CCCCC1OCCOC(=O)N 7a_100000211207_200011214921 [0,0,0,1,0,0|3,0,0]=4 4982 B14R1.159 CC1CCCCN1CCNCC(=O)N 2230a_100000739827_100000747473 [0,0,0,1,0,0|3,0,0]=4 4983 B14R1.159 CC1CCCCN1CCNCC(=O)N 34a_100000739827_100000187820 [0,0,0,1,0,0|3,0,0]=4 4984 B14R1.159 CC1CCCCN1CCNCC(=O)[O-] 34a_100000739827_100020667443 [0,0,0,1,0,0|3,0,0]=4 4985 B14R1.159 CC1CCCCN1CCOCC(=O)N 2230a_100000211376_100000076697 [0,0,0,1,0,0|3,0,0]=4 4986 B14R1.159 CC1CCCCN1CCOCC(=O)N 269982a_100000211376_100000076697 [0,0,0,1,0,0|3,0,0]=4 4987 B14R1.159 CC1CCCCN1CCOCC(=O)N 34a_100000211376_100000076697 [0,0,0,1,0,0|3,0,0]=4 4988 B14R1.159 CC1CCCCN1CCOCC(=O)N 34a_100011305533_100000187820 [0,0,0,1,0,0|3,0,0]=4 4989 B14R1.159 CC1CCCCN1CCOCC(=O)[O-] 34a_100011305533_100020667443 [0,0,0,1,0,0|3,0,0]=4 4990 B14R1.159 CC1CCNCC1OCCCC(=O)N 34a_100000696640_100102525003 [0,0,0,1,0,0|3,0,0]=4 4991 B14R1.159 CC1CNCCC1OCCCC(=O)N 34a_100011998114_100102525003 [0,0,0,1,0,0|3,0,0]=4 4992 B14R1.159 CN1CCCCC1CCNCC(=O)N 2230a_100000711301_100000211948 [0,0,0,1,0,0|3,0,0]=4 4993 B14R1.159 CN1CCCCC1CCNCC(=O)O 269956a_100016091260_100000211948 [0,0,0,1,0,0|3,0,0]=4 4994 B14R1.159 CN1CCCCC1CCSCC(=O)N 62a_100000211948_100000747473 [0,0,0,1,0,0|3,0,0]=4 4995 B14R1.159 CN1CCCCC1CCSCC(=O)N 62a_100000747473_100000211948 [0,0,0,1,0,0|3,0,0]=4 4996 B14R1.159 CN1CCCCC1CCSCC(=O)[O-] 62a_100000211948_100020667443 [0,0,0,1,0,0|3,0,0]=4 4997 B14R1.159 CN1CCCCC1CCSCC(=O)[O-] 62a_100020667443_100000211948 [0,0,0,1,0,0|3,0,0]=4 4998 B14R1.159 CN1CCCCC1CNCCC(=O)N 34a_100011228421_100000731001 [0,0,0,1,0,0|3,0,0]=4 4999 B14R1.159 CN1CCCCC1COCCC(=O)N 34a_100000225079_100000731001 [0,0,0,1,0,0|3,0,0]=4 5000 B14R1.159 CN1CCCCC1COCCC(=O)N 34a_100000757172_100015186950 [0,0,0,1,0,0|3,0,0]=4 5001 B14R1.159 CN1CCCCC1COCCC(=O)N 7a_100000757172_100015185383 [0,0,0,1,0,0|3,0,0]=4 5002 B14R1.159 CN1CCCCC1CSCCC(=O)N 62a_100000744528_100015185383 [0,0,0,1,0,0|3,0,0]=4 5003 B14R1.159 CN1CCCCC1CSCCC(=O)N 62a_100015185383_100000744528 [0,0,0,1,0,0|3,0,0]=4 5004 B14R1.159 NC(=O)CCCNC1CCCCC1F 34a_100000739312_100015423560 [0,0,0,1,0,0|3,0,0]=4 5005 B14R1.159 NC(=O)CCCNC1CCCCC1O 34a_100000739312_100000038908 [0,0,0,1,0,0|3,0,0]=4 5006 B14R1.159 NC(=O)CCCN[C@@H]1CCCC[C@H]1F 34a_100015195156_100102525003 [0,0,0,1,0,0|3,0,0]=4 5007 B14R1.159 NC(=O)CCCOC1CCCCC1Cl 34a_100000038908_100102525003 [0,0,0,1,0,0|3,0,0]=4 5008 B14R1.159 NC(=O)CCCOC1CCCCC1Cl 7a_100000038908_100102525003 [0,0,0,1,0,0|3,0,0]=4 5009 B14R1.159 NC(=O)CCCO[C@@H]1CCCC[C@H]1F 34a_100009816020_100102525003 [0,0,0,1,0,0|3,0,0]=4 5010 B14R1.159 NC(=O)CCCO[C@@H]1CCCC[C@H]1F 7a_100009816020_100102525003 [0,0,0,1,0,0|3,0,0]=4 5011 B14R1.159 NC(=O)CCCO[C@H]1CCCC[C@H]1N 34a_100015191688_100102525003 [0,0,0,1,0,0|3,0,0]=4 5012 B14R1.159 NC(=O)CCCSC1CCCCC1F 62a_100015423560_100102525003 [0,0,0,1,0,0|3,0,0]=4 5013 B14R1.159 NC(=O)CCCSC1CCCCC1F 62a_100102525003_100015423560 [0,0,0,1,0,0|3,0,0]=4 5014 B14R1.159 NC(=O)CCCSC1CCCCC1O 62a_100000038908_100102525003 [0,0,0,1,0,0|3,0,0]=4 5015 B14R1.159 NC(=O)CCCSC1CCCCC1O 62a_100102525003_100000038908 [0,0,0,1,0,0|3,0,0]=4 5016 B14R1.159 NC(=O)CCNCC1CCCCC1O 34a_100011216029_100000731001 [0,0,0,1,0,0|3,0,0]=4 5017 B14R1.168 CC(=O)CCCCOC1CCCC1C 34a_100011216460_100009817362 [0,0,0,1,0,0|2,0,0]=3 5018 B14R1.168 CC(=O)CCCCOC1CCCC1C 7a_100011216460_100000735457 [0,0,0,1,0,0|2,0,0]=3 5019 B14R1.168 CC(=O)CCCCO[C@@H]1CCC[C@H]1Cl 34a_200016002552_100009817362 [0,0,0,1,0,0|3,0,0]=4 5020 B14R1.168 CC(=O)CCCCO[C@H]1CCC[C@@H]1N 34a_100000748460_100009817362 [0,0,0,1,0,0|3,0,0]=4 5021 B14R1.168 CC(=O)CCCCO[C@H]1CNC[C@H]1C 34a_200015306588_100009817362 [0,0,0,1,0,0|3,0,0]=4 5022 B14R1.168 CC(=O)CCCCS[C@@H]1CCC[C@H]1O 62a_100000735457_200016002552 [0,0,0,1,0,0|3,0,0]=4 5023 B14R1.168 CC(=O)CCCCS[C@@H]1CCC[C@H]1O 62a_200016002552_100000735457 [0,0,0,1,0,0|3,0,0]=4 5024 B14R1.168 CC(=O)CCCOCC1CCCN1C 34a_100000743107_100000685027 [0,0,0,1,0,0|3,0,0]=4 5025 B14R1.168 CC(=O)CCOCCC1CCCN1C 34a_100000759926_100000005710 [0,0,0,1,0,0|3,0,0]=4 5026 B14R1.168 CC(=O)CCOCCC1CCCN1C 7a_100000759926_100000005710 [0,0,0,1,0,0|3,0,0]=4 5027 B14R1.168 CC(=O)CCOCCC1CCCN1C 7a_100011215177_100000053229 [0,0,0,1,0,0|3,0,0]=4 5028 B14R1.168 CC(=O)CCSCCC1CCCN1C 62a_100000005710_100000053229 [0,0,0,1,0,0|3,0,0]=4 5029 B14R1.168 CC(=O)CCSCCC1CCCN1C 62a_100000053229_100000005710 [0,0,0,1,0,0|3,0,0]=4 5030 B14R1.168 CC(=O)NCCCNC1CCCC1C 269862a_100000736810_100000752053 [0,0,0,1,0,0|3,0,0]=4 5031 B14R1.168 CC(=O)OCCCCN1CCC[C@@H]1C 269982a_100020605311_100000033659 [0,0,0,1,0,0|3,0,0]=4 5032 B14R1.168 CC(=O)OCCCCN1CCC[C@H]1C 269982a_100015189458_100000033659 [0,0,0,1,0,0|3,0,0]=4 5033 B14R1.168 CC(=O)OCCCCN1CCC[C@H]1C 34a_100015189458_100000033659 [0,0,0,1,0,0|3,0,0]=4 5034 B14R1.168 CC(=O)OCCCOC1CCCC1C 34a_100011216460_100000042594 [0,0,0,1,0,0|3,0,0]=4 5035 B14R1.168 CC(=O)OCCCOC1CCCC1C 7a_100011216460_100000042594 [0,0,0,1,0,0|3,0,0]=4 5036 B14R1.168 CC(=O)SCCCCN1CCC[C@@H]1C 2230a_100020605311_200010402107 [0,0,0,1,0,0|3,0,0]=4 5037 B14R1.168 CC(=O)SCCCCN1CCC[C@@H]1C 269982a_100020605311_200010402107 [0,0,0,1,0,0|3,0,0]=4 5038 B14R1.168 CC(=O)SCCCCN1CCC[C@H]1C 2230a_100015189458_200010402107 [0,0,0,1,0,0|3,0,0]=4 5039 B14R1.168 CC(=O)SCCCCN1CCC[C@H]1C 269982a_100015189458_200010402107 [0,0,0,1,0,0|3,0,0]=4 5040 B14R1.168 CC(=O)SCCCCN1CCC[C@H]1C 34a_100015189458_200010402107 [0,0,0,1,0,0|3,0,0]=4 5041 B14R1.168 CC(=O)SCCCOC1CCCC1C 34a_100011216460_100000038929 [0,0,0,1,0,0|3,0,0]=4 5042 B14R1.168 CC(=O)SCCCOC1CCCC1C 7a_100011216460_100000038929 [0,0,0,1,0,0|3,0,0]=4 5043 B14R1.168 CC1CCCC1NCCCCC(=O)N 269862a_100000696515_100000752053 [0,0,0,1,0,0|2,0,0]=3 5044 B14R1.168 CC1CCCC1OCCOCC(=O)N 34a_100011216460_100000076697 [0,0,0,1,0,0|3,0,0]=4 5045 B14R1.168 CC1CCCC1OCCOCC(=O)N 7a_100011216460_100000076697 [0,0,0,1,0,0|3,0,0]=4 5046 B14R1.168 CC1OCCC1NCCCCC(=O)N 270004a_100000696515_100000691750 [0,0,0,1,0,0|3,0,0]=4 5047 B14R1.168 CC1SCCN1CCCCCC(=O)N 2230a_200011216479_100009817443 [0,0,0,1,0,0|3,0,0]=4 5048 B14R1.168 CC1SCCN1CCCCCC(=O)N 269982a_200011216479_100009817443 [0,0,0,1,0,0|3,0,0]=4 5049 B14R1.168 CC1SCCN1CCCCCC(=O)N 34a_200011216479_100009817443 [0,0,0,1,0,0|3,0,0]=4 5050 B14R1.168 CN1CCCC1CCOCCC(=O)N 34a_100000757172_100000005710 [0,0,0,1,0,0|3,0,0]=4 5051 B14R1.168 CN1CCCC1CCOCCC(=O)N 34a_100011215177_100000731001 [0,0,0,1,0,0|3,0,0]=4 5052 B14R1.168 CN1CCCC1CCOCCC(=O)N 7a_100000757172_100000005710 [0,0,0,1,0,0|3,0,0]=4 5053 B14R1.168 CN1CCCC1CCOCCC(=O)N 7a_100011215177_100000744528 [0,0,0,1,0,0|3,0,0]=4 5054 B14R1.168 CN1CCCC1CCSCCC(=O)N 62a_100000005710_100000744528 [0,0,0,1,0,0|3,0,0]=4 5055 B14R1.168 CN1CCCC1CCSCCC(=O)N 62a_100000744528_100000005710 [0,0,0,1,0,0|3,0,0]=4 5056 B14R1.168 CN1CCCC1COCCCC(=O)N 34a_100000743107_100102525003 [0,0,0,1,0,0|3,0,0]=4 5057 B14R1.168 C[C@@H]1CCCN1CCCCCC(=O)N 2230a_100015189458_100009817443 [0,0,0,1,0,0|2,0,0]=3 5058 B14R1.168 C[C@@H]1CCCN1CCCCCC(=O)N 269982a_100015189458_100009817443 [0,0,0,1,0,0|2,0,0]=3 5059 B14R1.168 C[C@@H]1CCCN1CCCCCC(=O)N 34a_100015189458_100009817443 [0,0,0,1,0,0|2,0,0]=3 5060 B14R1.168 C[C@H]1CCCN1CCCCCC(=O)N 2230a_100020605311_100009817443 [0,0,0,1,0,0|2,0,0]=3 5061 B14R1.168 C[C@H]1CCCN1CCCCCC(=O)N 269982a_100020605311_100009817443 [0,0,0,1,0,0|2,0,0]=3 5062 B14R1.233 CCCCCCC1CCCC1N(C)C 270004a_100102631434_100000189428 [0,0,0,1,0,0|3,0,0]=4 5063 B14R1.233 CCCCCCN1CCC[C@H]1C(=O)N 2230a_100000003125_100000210314 [0,0,0,1,0,0|2,0,0]=3 5064 B14R1.233 CCCCCCN1CCC[C@H]1C(=O)O 269956a_100000743916_100000210757 [0,0,0,1,0,0|2,0,0]=3 5065 B14R1.233 CCCCCCN1CCSC1C(=O)O 269956a_100000035718_100000210757 [0,0,0,1,0,0|3,0,0]=4 5066 B14R1.233 CCCCCCN1CSC[C@H]1C(=O)O 269956a_100000743924_100000210757 [0,0,0,1,0,0|3,0,0]=4 5067 B14R1.233 CCCCOCN1CCC[C@H]1C(=O)N 2230a_100000003125_100011995733 [0,0,0,1,0,0|3,0,0]=4 5068 B14R1.233 CCCCOCN1CCC[C@H]1C(=O)O 269956a_100000743916_100011995733 [0,0,0,1,0,0|3,0,0]=4 5069 B14R1.233 CCCCOC[C@@H]1CCCN1C(=O)N 34a_100012022907_100000210210 [0,0,0,1,0,0|3,0,0]=4 5070 B14R1.233 CCCCOC[C@@H]1CCCN1C(=O)N 7a_100012022907_100000210211 [0,0,0,1,0,0|3,0,0]=4 5071 B14R1.233 CCCCOC[C@H]1CCCN1C(=O)C 34a_100012242843_100000210210 [0,0,0,1,0,0|3,0,0]=4 5072 B14R1.233 CCCCOC[C@H]1CCCN1C(=O)C 7a_100012242843_100000210211 [0,0,0,1,0,0|3,0,0]=4 5073 B14R1.233 CCCOCCN1CCC[C@H]1C(=O)N 2230a_100000003125_100011215938 [0,0,0,1,0,0|3,0,0]=4 5074 B14R1.233 CCCOCCN1CCC[C@H]1C(=O)O 269956a_100000743916_100011215938 [0,0,0,1,0,0|3,0,0]=4 5075 B14R1.233 CCOCCCN1CCC[C@H]1C(=O)N 2230a_100000003125_100012232248 [0,0,0,1,0,0|3,0,0]=4 5076 B14R1.233 CCOCCCN1CCC[C@H]1C(=O)O 269956a_100000743916_100012232248 [0,0,0,1,0,0|3,0,0]=4 5077 B14R1.233 COCCCCN1CCC[C@H]1C(=O)N 2230a_100000003125_100000730899 [0,0,0,1,0,0|3,0,0]=4 5078 B14R1.233 COCCCCN1CCC[C@H]1C(=O)O 269956a_100000743916_100000730899 [0,0,0,1,0,0|3,0,0]=4 5079 B14R1.233 NC(=O)[C@@H]1CCCN1CCCCCF 2230a_100000003125_100000729378 [0,0,0,1,0,0|3,0,0]=4 5080 B14R1.233 NC(=O)[C@@H]1CCCN1CCCCCO 2230a_100000003125_100000746330 [0,0,0,1,0,0|3,0,0]=4 5081 B14R1.233 O=C(O)[C@@H]1CCCN1CCCCCF 269956a_100000743916_100000729378 [0,0,0,1,0,0|3,0,0]=4 5082 B14R1.233 O=C(O)[C@@H]1CCCN1CCCCCO 269956a_100000743916_100000746330 [0,0,0,1,0,0|3,0,0]=4 5083 B14R1.241 CC(=O)OCCCCOCC1CC1C 34a_100000744939_100000033659 [0,0,0,1,0,0|3,0,0]=4 5084 B14R1.241 CC(=O)OCCCCOCC1CC1C 7a_100000744939_100000033659 [0,0,0,1,0,0|3,0,0]=4 5085 B14R1.241 CC(=O)SCCCCOCC1CC1C 34a_100000744939_200010402107 [0,0,0,1,0,0|3,0,0]=4 5086 B14R1.241 CC(=O)SCCCCOCC1CC1C 7a_100000744939_200010402107 [0,0,0,1,0,0|3,0,0]=4 5087 B14R1.241 CC1CC1COCCCCCC(=O)N 34a_100000744939_100009817443 [0,0,0,1,0,0|2,0,0]=3 5088 B14R1.241 CC1CC1COCCCCCC(=O)N 7a_100000744939_100009817443 [0,0,0,1,0,0|2,0,0]=3 5089 B14R1.258 COCC1CCN1CCCCC(=O)C 269982a_100015195929_100000735457 [0,0,0,1,0,0|3,0,0]=4 5090 B14R1.258 COCC1CCN1CCCCC(=O)C 34a_100015195929_100009817362 [0,0,0,1,0,0|3,0,0]=4 5091 B14R1.325 CC(=O)OCCCCCN1CCC1C 269982a_100000755817_100000033007 [0,0,0,1,0,0|3,0,0]=4 5092 B14R1.325 CC(=O)OCCCCCN1CCC1C 34a_100000755817_100000033007 [0,0,0,1,0,0|3,0,0]=4 5093 B14R1.422 C=C(Br)CCOCCC1CCCCC1 34a_100009813270_100011209188 [0,0,0,1,0,0|2,1,0]=4 5094 B14R1.422 C=C(C)CCNCCC1CCCCC1 2230a_100000738074_100000730704 [0,0,0,1,0,0|3,0,0]=4 5095 B14R1.422 C=C(C)CCNCCC1CCCCC1 34a_100000738074_100000730704 [0,0,0,1,0,0|3,0,0]=4 5096 B14R1.422 C=C(C)CCOCCC1CCCCC1 34a_100000764851_100011209188 [0,0,0,1,0,0|3,0,0]=4 5097 B14R1.422 C=C(C)CCOCCC1CCCCC1 34a_100011217863_100000730704 [0,0,0,1,0,0|3,0,0]=4 5098 B14R1.422 C=C(C)CCOCCC1CCCCC1 7a_100011217863_100000730704 [0,0,0,1,0,0|3,0,0]=4 5099 B14R1.422 C=C(C)CCSCCC1CCCCC1 62a_100000730704_100012355289 [0,0,0,1,0,0|3,0,0]=4 5100 B14R1.422 C=C(C)CCSCCC1CCCCC1 62a_100012355289_100000730704 [0,0,0,1,0,0|3,0,0]=4 5101 B14R1.422 C=C(C)CNCCCC1CCCCC1 2230a_100011211642_100000748629 [0,0,0,1,0,0|3,0,0]=4 5102 B14R1.422 C=C(C)CNCCCC1CCCCC1 34a_100011211642_100000748629 [0,0,0,1,0,0|3,0,0]=4 5103 B14R1.422 C=C(C)COCCCC1CCCCC1 34a_100000198086_100000748629 [0,0,0,1,0,0|3,0,0]=4 5104 B14R1.422 C=C(C)COCCCC1CCCCC1 34a_100000210245_100011713725 [0,0,0,1,0,0|3,0,0]=4 5105 B14R1.422 C=C(C)COCCCC1CCCCC1 7a_100000198086_100000748629 [0,0,0,1,0,0|3,0,0]=4 5106 B14R1.422 C=C(C)CSCCCC1CCCCC1 62a_100000748629_100011713725 [0,0,0,1,0,0|3,0,0]=4 5107 B14R1.422 C=C(C)CSCCCC1CCCCC1 62a_100011713725_100000211660 [0,0,0,1,0,0|3,0,0]=4 5108 B14R1.422 C=C(F)CNCCCC1CCCCC1 2230a_100011211642_100009893438 [0,0,0,1,0,0|2,1,0]=4 5109 B14R1.422 C=C(F)CNCCCC1CCCCC1 34a_100011211642_100009893438 [0,0,0,1,0,0|2,1,0]=4 5110 B14R1.422 C=C(F)COCCCC1CCCCC1 34a_100000198086_100009893438 [0,0,0,1,0,0|2,1,0]=4 5111 B14R1.422 C=C(F)COCCCC1CCCCC1 34a_200010262243_100011713725 [0,0,0,1,0,0|2,1,0]=4 5112 B14R1.422 C=C(F)COCCCC1CCCCC1 7a_100000198086_100000042424 [0,0,0,1,0,0|2,1,0]=4 5113 B14R1.422 C=C(F)CSCCCC1CCCCC1 62a_100000042424_100011713725 [0,0,0,1,0,0|2,1,0]=4 5114 B14R1.422 C=C(F)CSCCCC1CCCCC1 62a_100011713725_100000042424 [0,0,0,1,0,0|2,1,0]=4 5115 B14R1.422 CC(=O)CCCCCN1CCCCC1 1458a_100012051570_200000210301 [0,0,0,1,0,0|2,0,0]=3 5116 B14R1.422 CC(=O)CCCCCN1CCOCC1 1458a_100012051560_200000210301 [0,0,0,1,0,0|3,0,0]=4 5117 B14R1.422 CC(=O)CCCCNC1CCCCC1 34a_100000182618_100009817362 [0,0,0,1,0,0|2,0,0]=3 5118 B14R1.422 CC(=O)CCCCNC1CCCOC1 34a_100000719290_100009817362 [0,0,0,1,0,0|3,0,0]=4 5119 B14R1.422 CC(=O)CCCCNC1CCOCC1 34a_100000741149_100009817362 [0,0,0,1,0,0|3,0,0]=4 5120 B14R1.422 CC(=O)CCCCNC1CCSCC1 34a_100000748639_100009817362 [0,0,0,1,0,0|3,0,0]=4 5121 B14R1.422 CC(=O)CCCCOC1CCCCC1 34a_100000210231_100009817362 [0,0,0,1,0,0|2,0,0]=3 5122 B14R1.422 CC(=O)CCCCOC1CCCCC1 7a_100000210231_100000735457 [0,0,0,1,0,0|2,0,0]=3 5123 B14R1.422 CC(=O)CCCCOC1CCCCO1 1458a_100000070787_100000031530 [0,0,0,1,0,0|3,0,0]=4 5124 B14R1.422 CC(=O)CCCCOC1CCCCO1 34a_100000033831_100009817362 [0,0,0,1,0,0|3,0,0]=4 5125 B14R1.422 CC(=O)CCCCOC1CCCOC1 34a_100000754041_100009817362 [0,0,0,1,0,0|3,0,0]=4 5126 B14R1.422 CC(=O)CCCCOC1CCCSC1 7a_100015962668_100000735457 [0,0,0,1,0,0|3,0,0]=4 5127 B14R1.422 CC(=O)CCCCOC1CCOCC1 34a_100000744328_100009817362 [0,0,0,1,0,0|3,0,0]=4 5128 B14R1.422 CC(=O)CCCCOC1CCSCC1 34a_100000731022_100009817362 [0,0,0,1,0,0|3,0,0]=4 5129 B14R1.422 CC(=O)CCCCOC1CCSCC1 7a_100000731022_100000735457 [0,0,0,1,0,0|3,0,0]=4 5130 B14R1.422 CC(=O)CCCCSC1CCCCC1 62a_100000210327_100000735457 [0,0,0,1,0,0|2,0,0]=3 5131 B14R1.422 CC(=O)CCCCSC1CCCCC1 62a_100000735457_100000210327 [0,0,0,1,0,0|2,0,0]=3 5132 B14R1.422 CC(=O)CCCCSC1CCCOC1 62a_100000735457_100000693364 [0,0,0,1,0,0|3,0,0]=4 5133 B14R1.422 CC(=O)CCCCSC1CCOCC1 62a_100000735457_100011324220 [0,0,0,1,0,0|3,0,0]=4 5134 B14R1.422 CC(=O)CCCCSC1CCSCC1 62a_100000735457_100000069128 [0,0,0,1,0,0|3,0,0]=4 5135 B14R1.422 CC(=O)CCCNCC1CCCCC1 34a_100000210473_100000685027 [0,0,0,1,0,0|2,0,0]=3 5136 B14R1.422 CC(=O)CCCNCC1CCCCO1 34a_100000174945_100000685027 [0,0,0,1,0,0|3,0,0]=4 5137 B14R1.422 CC(=O)CCCNCC1CCCOC1 34a_100000720124_100000685027 [0,0,0,1,0,0|3,0,0]=4 5138 B14R1.422 CC(=O)CCCNCC1CCOCC1 34a_100000746373_100000685027 [0,0,0,1,0,0|3,0,0]=4 5139 B14R1.422 CC(=O)CCCNCC1CCSCC1 34a_100015188806_100000685027 [0,0,0,1,0,0|3,0,0]=4 5140 B14R1.422 CC(=O)CCCOCC1CCCCC1 34a_100000212181_100000685027 [0,0,0,1,0,0|2,0,0]=3 5141 B14R1.422 CC(=O)CCCOCC1CCCCC1 34a_100000759063_100000211423 [0,0,0,1,0,0|2,0,0]=3 5142 B14R1.422 CC(=O)CCCOCC1CCCCC1 7a_100000212181_100011215641 [0,0,0,1,0,0|2,0,0]=3 5143 B14R1.422 CC(=O)CCCOCC1CCCCC1 7a_100000759063_100000211423 [0,0,0,1,0,0|2,0,0]=3 5144 B14R1.422 CC(=O)CCCOCC1CCCCN1 34a_100000210821_100000685027 [0,0,0,1,0,0|3,0,0]=4 5145 B14R1.422 CC(=O)CCCOCC1CCCCO1 34a_100000211370_100000685027 [0,0,0,1,0,0|3,0,0]=4 5146 B14R1.422 CC(=O)CCCOCC1CCCCO1 34a_100000759063_100000211543 [0,0,0,1,0,0|3,0,0]=4 5147 B14R1.422 CC(=O)CCCOCC1CCCCO1 7a_100000211370_100011215641 [0,0,0,1,0,0|3,0,0]=4 5148 B14R1.422 CC(=O)CCCOCC1CCCCO1 7a_100000759063_100000211543 [0,0,0,1,0,0|3,0,0]=4 5149 B14R1.422 CC(=O)CCCOCC1CCCNC1 34a_100000211344_100000685027 [0,0,0,1,0,0|3,0,0]=4 5150 B14R1.422 CC(=O)CCCOCC1CCCOC1 34a_100000741520_100000685027 [0,0,0,1,0,0|3,0,0]=4 5151 B14R1.422 CC(=O)CCCOCC1CCCOC1 34a_100000759063_100000741521 [0,0,0,1,0,0|3,0,0]=4 5152 B14R1.422 CC(=O)CCCOCC1CCCOC1 7a_100000759063_100000741521 [0,0,0,1,0,0|3,0,0]=4 5153 B14R1.422 CC(=O)CCCOCC1CCNCC1 34a_100000738675_100000685027 [0,0,0,1,0,0|3,0,0]=4 5154 B14R1.422 CC(=O)CCCOCC1CCOCC1 34a_100000749013_100000685027 [0,0,0,1,0,0|3,0,0]=4 5155 B14R1.422 CC(=O)CCCOCC1CCOCC1 34a_100000759063_100000754603 [0,0,0,1,0,0|3,0,0]=4 5156 B14R1.422 CC(=O)CCCOCC1CCOCC1 7a_100000759063_100000754603 [0,0,0,1,0,0|3,0,0]=4 5157 B14R1.422 CC(=O)CCCOCC1CCSCC1 34a_100000070558_100000685027 [0,0,0,1,0,0|3,0,0]=4 5158 B14R1.422 CC(=O)CCCOCC1CCSCC1 7a_100000070558_100011215641 [0,0,0,1,0,0|3,0,0]=4 5159 B14R1.422 CC(=O)CCCSCC1CCCCC1 62a_100000211423_100011215641 [0,0,0,1,0,0|2,0,0]=3 5160 B14R1.422 CC(=O)CCCSCC1CCCCC1 62a_100011215641_100000211423 [0,0,0,1,0,0|2,0,0]=3 5161 B14R1.422 CC(=O)CCCSCC1CCCCO1 62a_100000211543_100011215641 [0,0,0,1,0,0|3,0,0]=4 5162 B14R1.422 CC(=O)CCCSCC1CCCCO1 62a_100011215641_100000211543 [0,0,0,1,0,0|3,0,0]=4 5163 B14R1.422 CC(=O)CCCSCC1CCCOC1 62a_100000741521_100011215641 [0,0,0,1,0,0|3,0,0]=4 5164 B14R1.422 CC(=O)CCCSCC1CCCOC1 62a_100011215641_100000741521 [0,0,0,1,0,0|3,0,0]=4 5165 B14R1.422 CC(=O)CCCSCC1CCOCC1 62a_100000754603_100011215641 [0,0,0,1,0,0|3,0,0]=4 5166 B14R1.422 CC(=O)CCCSCC1CCOCC1 62a_100011215641_100000749018 [0,0,0,1,0,0|3,0,0]=4 5167 B14R1.422 CC(=O)CCOCCC1CCCCC1 34a_100000759926_100011209188 [0,0,0,1,0,0|2,0,0]=3 5168 B14R1.422 CC(=O)CCOCCC1CCCCC1 7a_100000759926_100011273959 [0,0,0,1,0,0|2,0,0]=3 5169 B14R1.422 CC(=O)CCOCCC1CCCCC1 7a_100011217863_100000053229 [0,0,0,1,0,0|2,0,0]=3 5170 B14R1.422 CC(=O)CCOCCC1CCOCC1 34a_100000759926_100011934994 [0,0,0,1,0,0|3,0,0]=4 5171 B14R1.422 CC(=O)CCOCCC1CCOCC1 7a_100000759926_100011934994 [0,0,0,1,0,0|3,0,0]=4 5172 B14R1.422 CC(=O)CCOCCC1CCOCC1 7a_100011933979_100000053229 [0,0,0,1,0,0|3,0,0]=4 5173 B14R1.422 CC(=O)CCOCCN1CCCCC1 34a_100000759926_100000739454 [0,0,0,1,0,0|3,0,0]=4 5174 B14R1.422 CC(=O)CCOCCN1CCCCC1 7a_100000759926_100000739454 [0,0,0,1,0,0|3,0,0]=4 5175 B14R1.422 CC(=O)CCOCOC1CCCCC1 34a_100000759926_100011935260 [0,0,0,1,0,0|3,0,0]=4 5176 B14R1.422 CC(=O)CCOCOC1CCCCC1 7a_100000759926_100011935260 [0,0,0,1,0,0|3,0,0]=4 5177 B14R1.422 CC(=O)CCSCCC1CCCCC1 62a_100000053229_100012355289 [0,0,0,1,0,0|2,0,0]=3 5178 B14R1.422 CC(=O)CCSCCC1CCCCC1 62a_100012355289_100000053229 [0,0,0,1,0,0|2,0,0]=3 5179 B14R1.422 CC(=O)CCSCCC1CCOCC1 62a_100000053229_100011934994 [0,0,0,1,0,0|3,0,0]=4 5180 B14R1.422 CC(=O)CCSCCC1CCOCC1 62a_100011934994_100000053229 [0,0,0,1,0,0|3,0,0]=4 5181 B14R1.422 CC(=O)CCSCCN1CCCCC1 62a_100000053229_100000739454 [0,0,0,1,0,0|3,0,0]=4 5182 B14R1.422 CC(=O)CCSCCN1CCCCC1 62a_100000739454_100000053229 [0,0,0,1,0,0|3,0,0]=4 5183 B14R1.422 CC(=O)CCSCOC1CCCCC1 62a_100000053229_100011935260 [0,0,0,1,0,0|3,0,0]=4 5184 B14R1.422 CC(=O)CCSCOC1CCCCC1 62a_100011935260_100000053229 [0,0,0,1,0,0|3,0,0]=4 5185 B14R1.422 CC(=O)COCCCC1CCCCC1 34a_100000211253_100011713725 [0,0,0,1,0,0|2,0,0]=3 5186 B14R1.422 CC(=O)COCCCN1CCCCC1 34a_100000211253_100000690320 [0,0,0,1,0,0|3,0,0]=4 5187 B14R1.422 CC(=O)COCCOC1CCCCC1 34a_100000211253_100011211530 [0,0,0,1,0,0|3,0,0]=4 5188 B14R1.422 CC(=O)NCCCCN1CCCCC1 240690a_200011207366_100015343762 [0,0,0,1,0,0|3,0,0]=4 5189 B14R1.422 CC(=O)NCCCNC1CCCCC1 270004a_100000736810_100000210434 [0,0,0,1,0,0|3,0,0]=4 5190 B14R1.422 CC(=O)NCCCNC1CCCCC1 34a_100000736810_100000210327 [0,0,0,1,0,0|3,0,0]=4 5191 B14R1.422 CC(=O)NCCCOC1CCCCC1 11a_100000205933_100015343762 [0,0,0,1,0,0|3,0,0]=4 5192 B14R1.422 CC(=O)NCCCOC1CCCCC1 1626a_100000205933_100015343762 [0,0,0,1,0,0|3,0,0]=4 5193 B14R1.422 CC(=O)NCCCOC1CCCCC1 240690a_100000205933_100015343762 [0,0,0,1,0,0|3,0,0]=4 5194 B14R1.422 CC(=O)NCCCOC1CCCCC1 34a_100000752032_100000210327 [0,0,0,1,0,0|3,0,0]=4 5195 B14R1.422 CC(=O)NCCCOC1CCCCC1 527a_100000205933_100103153847 [0,0,0,1,0,0|3,0,0]=4 5196 B14R1.422 CC(=O)NCCNCC1CCCCC1 2230a_100000209853_100000211423 [0,0,0,1,0,0|3,0,0]=4 5197 B14R1.422 CC(=O)NCCNCC1CCCCC1 2230a_100000210473_100000189650 [0,0,0,1,0,0|3,0,0]=4 5198 B14R1.422 CC(=O)NCCNCC1CCCCC1 269862a_100000209853_100000211278 [0,0,0,1,0,0|3,0,0]=4 5199 B14R1.422 CC(=O)NCCOCC1CCCCC1 34a_100000158858_100000211423 [0,0,0,1,0,0|3,0,0]=4 5200 B14R1.422 CC(=O)NCCOCC1CCCCC1 7a_100000212181_100000189650 [0,0,0,1,0,0|3,0,0]=4 5201 B14R1.422 CC(=O)NCCSCC1CCCCC1 62a_100000189650_100000211423 [0,0,0,1,0,0|3,0,0]=4 5202 B14R1.422 CC(=O)NCCSCC1CCCCC1 62a_100000211423_100000189650 [0,0,0,1,0,0|3,0,0]=4 5203 B14R1.422 CC(=O)OCCCNC1CCCCC1 34a_100000182618_100000042594 [0,0,0,1,0,0|3,0,0]=4 5204 B14R1.422 CC(=O)OCCCOC1CCCCC1 34a_100000210231_100000042594 [0,0,0,1,0,0|3,0,0]=4 5205 B14R1.422 CC(=O)OCCCOC1CCCCC1 7a_100000210231_100000042594 [0,0,0,1,0,0|3,0,0]=4 5206 B14R1.422 CC(=O)OCCCSC1CCCCC1 62a_100000042594_100000210327 [0,0,0,1,0,0|3,0,0]=4 5207 B14R1.422 CC(=O)OCCCSC1CCCCC1 62a_100000210327_100000042594 [0,0,0,1,0,0|3,0,0]=4 5208 B14R1.422 CC(=O)OCCNCC1CCCCC1 34a_100000210473_100009814007 [0,0,0,1,0,0|3,0,0]=4 5209 B14R1.422 CC(=O)OCCOCC1CCCCC1 34a_100000212181_100009814007 [0,0,0,1,0,0|3,0,0]=4 5210 B14R1.422 CC(=O)OCCOCC1CCCCC1 7a_100000212181_100009814007 [0,0,0,1,0,0|3,0,0]=4 5211 B14R1.422 CC(=O)OCCSCC1CCCCC1 62a_100000211423_100009814007 [0,0,0,1,0,0|3,0,0]=4 5212 B14R1.422 CC(=O)OCCSCC1CCCCC1 62a_100009814007_100000211423 [0,0,0,1,0,0|3,0,0]=4 5213 B14R1.422 CC(=O)OCNCCC1CCCCC1 34a_100000738074_100009813279 [0,0,0,1,0,0|3,0,0]=4 5214 B14R1.422 CC(=O)OCOCCC1CCCCC1 34a_100011217863_100009813279 [0,0,0,1,0,0|3,0,0]=4 5215 B14R1.422 CC(=O)OCSCCC1CCCCC1 62a_100000076356_100012355289 [0,0,0,1,0,0|3,0,0]=4 5216 B14R1.422 CC(=O)OCSCCC1CCCCC1 62a_100012355289_100000076356 [0,0,0,1,0,0|3,0,0]=4 5217 B14R1.422 CC(=O)SCCCNC1CCCCC1 2230a_100000182618_100000038929 [0,0,0,1,0,0|3,0,0]=4 5218 B14R1.422 CC(=O)SCCCNC1CCCCC1 34a_100000182618_100000038929 [0,0,0,1,0,0|3,0,0]=4 5219 B14R1.422 CC(=O)SCCCOC1CCCCC1 34a_100000210231_100000038929 [0,0,0,1,0,0|3,0,0]=4 5220 B14R1.422 CC(=O)SCCCOC1CCCCC1 7a_100000210231_100000038929 [0,0,0,1,0,0|3,0,0]=4 5221 B14R1.422 CC(=O)SCCCSC1CCCCC1 62a_100000038929_100000210327 [0,0,0,1,0,0|3,0,0]=4 5222 B14R1.422 CC(=O)SCCCSC1CCCCC1 62a_100000210327_100000038929 [0,0,0,1,0,0|3,0,0]=4 5223 B14R1.422 CC(=O)SCCNCC1CCCCC1 269862a_100020647217_100000211278 [0,0,0,1,0,0|3,0,0]=4 5224 B14R1.422 CS(=O)CCCNCC1CCCCC1 2230a_200000753449_100000211423 [0,0,0,1,0,0|3,0,0]=4 5225 B14R1.422 C[C@@H](Cl)COCCCC1CCCCC1 34a_100016084084_100011713725 [0,0,0,1,0,0|2,0,1]=4 5226 B14R1.422 NC(=O)CCCCCN1CCCOC1 2230a_100000131196_100009817443 [0,0,0,1,0,0|3,0,0]=4 5227 B14R1.422 NC(=O)CCCCCN1CCCOC1 269982a_100000131196_100009817443 [0,0,0,1,0,0|3,0,0]=4 5228 B14R1.422 NC(=O)CCCCCN1CCCOC1 34a_100000131196_100009817443 [0,0,0,1,0,0|3,0,0]=4 5229 B14R1.422 NC(=O)CCCCCN1CCOCC1 2230a_100015191051_100009817443 [0,0,0,1,0,0|3,0,0]=4 5230 B14R1.422 NC(=O)CCCCCN1CCOCC1 269982a_100015191051_100009817443 [0,0,0,1,0,0|3,0,0]=4 5231 B14R1.422 NC(=O)CCCCCN1CCOCC1 34a_100015191051_100009817443 [0,0,0,1,0,0|3,0,0]=4 5232 B14R1.422 NC(=O)CCCCCN1CCSCC1 2230a_100000737611_100009817443 [0,0,0,1,0,0|3,0,0]=4 5233 B14R1.422 NC(=O)CCCCCN1CCSCC1 269982a_100000737611_100009817443 [0,0,0,1,0,0|3,0,0]=4 5234 B14R1.422 NC(=O)CCCCNC1CCCCC1 270004a_100000696515_100000210434 [0,0,0,1,0,0|2,0,0]=3 5235 B14R1.422 NC(=O)CCCCNC1CCCCC1 34a_100000696515_100000210327 [0,0,0,1,0,0|2,0,0]=3 5236 B14R1.422 NC(=O)CCCCNC1CCCOC1 270004a_100000696515_100000753404 [0,0,0,1,0,0|3,0,0]=4 5237 B14R1.422 NC(=O)CCCCNC1CCCOC1 34a_100000696515_100000693364 [0,0,0,1,0,0|3,0,0]=4 5238 B14R1.422 NC(=O)CCCCNC1CCCSC1 270004a_100000696515_100000057913 [0,0,0,1,0,0|3,0,0]=4 5239 B14R1.422 NC(=O)CCCCNC1CCNCC1 270004a_100000696515_100015192401 [0,0,0,1,0,0|3,0,0]=4 5240 B14R1.422 NC(=O)CCCCNC1CCOCC1 270004a_100000696515_100011217826 [0,0,0,1,0,0|3,0,0]=4 5241 B14R1.422 NC(=O)CCCCNC1CCSCC1 270004a_100000696515_100000203788 [0,0,0,1,0,0|3,0,0]=4 5242 B14R1.422 NC(=O)CCCCNC1CCSCC1 34a_100000696515_100000069128 [0,0,0,1,0,0|3,0,0]=4 5243 B14R1.422 NC(=O)CCCCOC1CCCCC1 34a_100012022536_100000210327 [0,0,0,1,0,0|2,0,0]=3 5244 B14R1.422 NC(=O)CCCCOC1CCCCC1 7a_100012022536_100000210327 [0,0,0,1,0,0|2,0,0]=3 5245 B14R1.422 NC(=O)CCCCOC1CCCOC1 34a_100012022536_100000693364 [0,0,0,1,0,0|3,0,0]=4 5246 B14R1.422 NC(=O)CCCCOC1CCCOC1 7a_100012022536_100000693364 [0,0,0,1,0,0|3,0,0]=4 5247 B14R1.422 NC(=O)CCCCOC1CCOCC1 7a_100012022536_100000686592 [0,0,0,1,0,0|3,0,0]=4 5248 B14R1.422 NC(=O)CCCCOC1CCSCC1 34a_100012022536_100000069128 [0,0,0,1,0,0|3,0,0]=4 5249 B14R1.422 NC(=O)CCCCOC1CCSCC1 7a_100012022536_100011500858 [0,0,0,1,0,0|3,0,0]=4 5250 B14R1.422 NC(=O)CCCNCC1CCCCC1 269862a_100000739312_100000211278 [0,0,0,1,0,0|2,0,0]=3 5251 B14R1.422 NC(=O)CCCNCC1CCCCC1 34a_100000210473_100102525003 [0,0,0,1,0,0|2,0,0]=3 5252 B14R1.422 NC(=O)CCCNCC1CCCCC1 34a_100000739312_100000211423 [0,0,0,1,0,0|2,0,0]=3 5253 B14R1.422 NC(=O)CCCNCC1CCCCO1 34a_100000174945_100102525003 [0,0,0,1,0,0|3,0,0]=4 5254 B14R1.422 NC(=O)CCCNCC1CCCCO1 34a_100000739312_100000211543 [0,0,0,1,0,0|3,0,0]=4 5255 B14R1.422 NC(=O)CCCNCC1CCCOC1 34a_100000720124_100102525003 [0,0,0,1,0,0|3,0,0]=4 5256 B14R1.422 NC(=O)CCCNCC1CCCOC1 34a_100000739312_100000741521 [0,0,0,1,0,0|3,0,0]=4 5257 B14R1.422 NC(=O)CCCNCC1CCOCC1 269862a_100000739312_100000749017 [0,0,0,1,0,0|3,0,0]=4 5258 B14R1.422 NC(=O)CCCNCC1CCOCC1 34a_100000739312_100000754603 [0,0,0,1,0,0|3,0,0]=4 5259 B14R1.422 NC(=O)CCCNCC1CCOCC1 34a_100000746373_100102525003 [0,0,0,1,0,0|3,0,0]=4 5260 B14R1.422 NC(=O)CCCNCC1CCSCC1 269862a_100000739312_100000067145 [0,0,0,1,0,0|3,0,0]=4 5261 B14R1.422 NC(=O)CCCNCC1CCSCC1 34a_100015188806_100102525003 [0,0,0,1,0,0|3,0,0]=4 5262 B14R1.422 NC(=O)CCCOCC1CCCCC1 34a_100000212181_100102525003 [0,0,0,1,0,0|2,0,0]=3 5263 B14R1.422 NC(=O)CCCOCC1CCCCC1 7a_100000212181_100102525003 [0,0,0,1,0,0|2,0,0]=3 5264 B14R1.422 NC(=O)CCCOCC1CCCCN1 34a_100000210821_100102525003 [0,0,0,1,0,0|3,0,0]=4 5265 B14R1.422 NC(=O)CCCOCC1CCCCO1 34a_100000211370_100102525003 [0,0,0,1,0,0|3,0,0]=4 5266 B14R1.422 NC(=O)CCCOCC1CCCCO1 7a_100000211370_100102525003 [0,0,0,1,0,0|3,0,0]=4 5267 B14R1.422 NC(=O)CCCOCC1CCCNC1 34a_100000211344_100102525003 [0,0,0,1,0,0|3,0,0]=4 5268 B14R1.422 NC(=O)CCCOCC1CCCOC1 34a_100000741520_100102525003 [0,0,0,1,0,0|3,0,0]=4 5269 B14R1.422 NC(=O)CCCOCC1CCNCC1 34a_100000738675_100102525003 [0,0,0,1,0,0|3,0,0]=4 5270 B14R1.422 NC(=O)CCCOCC1CCOCC1 34a_100000749013_100102525003 [0,0,0,1,0,0|3,0,0]=4 5271 B14R1.422 NC(=O)CCCOCC1CCSCC1 34a_100000070558_100102525003 [0,0,0,1,0,0|3,0,0]=4 5272 B14R1.422 NC(=O)CCCOCC1CCSCC1 7a_100000070558_100102525003 [0,0,0,1,0,0|3,0,0]=4 5273 B14R1.422 NC(=O)CCCSCC1CCCCC1 62a_100000211423_100102525003 [0,0,0,1,0,0|2,0,0]=3 5274 B14R1.422 NC(=O)CCCSCC1CCCCC1 62a_100102525003_100000211423 [0,0,0,1,0,0|2,0,0]=3 5275 B14R1.422 NC(=O)CCCSCC1CCCCO1 62a_100000211543_100102525003 [0,0,0,1,0,0|3,0,0]=4 5276 B14R1.422 NC(=O)CCCSCC1CCCCO1 62a_100102525003_100000211543 [0,0,0,1,0,0|3,0,0]=4 5277 B14R1.422 NC(=O)CCCSCC1CCCOC1 62a_100000741521_100102525003 [0,0,0,1,0,0|3,0,0]=4 5278 B14R1.422 NC(=O)CCCSCC1CCCOC1 62a_100102525003_100000741521 [0,0,0,1,0,0|3,0,0]=4 5279 B14R1.422 NC(=O)CCCSCC1CCOCC1 62a_100000754603_100102525003 [0,0,0,1,0,0|3,0,0]=4 5280 B14R1.422 NC(=O)CCCSCC1CCOCC1 62a_100102525003_100000749018 [0,0,0,1,0,0|3,0,0]=4 5281 B14R1.422 NC(=O)CCNCCC1CCCCC1 2230a_100000738074_100000744528 [0,0,0,1,0,0|2,0,0]=3 5282 B14R1.422 NC(=O)CCNCCC1CCCCC1 34a_100000738074_100000731001 [0,0,0,1,0,0|2,0,0]=3 5283 B14R1.422 NC(=O)CCNCCC1CCCCO1 2230a_100015183643_100000744528 [0,0,0,1,0,0|3,0,0]=4 5284 B14R1.422 NC(=O)CCNCCC1CCCCO1 34a_100015183643_100000731001 [0,0,0,1,0,0|3,0,0]=4 5285 B14R1.422 NC(=O)CCNCCC1CCOCC1 2230a_100000755988_100000744528 [0,0,0,1,0,0|3,0,0]=4 5286 B14R1.422 NC(=O)CCNCCC1CCOCC1 34a_100000755988_100000731001 [0,0,0,1,0,0|3,0,0]=4 5287 B14R1.422 NC(=O)CCOCCC1CCCCC1 34a_100000757172_100011209188 [0,0,0,1,0,0|2,0,0]=3 5288 B14R1.422 NC(=O)CCOCCC1CCCCC1 34a_100011217863_100000731001 [0,0,0,1,0,0|2,0,0]=3 5289 B14R1.422 NC(=O)CCOCCC1CCCCC1 7a_100000757172_100011273959 [0,0,0,1,0,0|2,0,0]=3 5290 B14R1.422 NC(=O)CCOCCC1CCCCC1 7a_100011217863_100000744528 [0,0,0,1,0,0|2,0,0]=3 5291 B14R1.422 NC(=O)CCOCCC1CCCCN1 34a_100000211664_100000731001 [0,0,0,1,0,0|3,0,0]=4 5292 B14R1.422 NC(=O)CCOCCC1CCCNC1 34a_100000752241_100000731001 [0,0,0,1,0,0|3,0,0]=4 5293 B14R1.422 NC(=O)CCOCCC1CCNCC1 34a_100015190746_100000731001 [0,0,0,1,0,0|3,0,0]=4 5294 B14R1.422 NC(=O)CCOCCC1CCOCC1 34a_100000757172_100011934994 [0,0,0,1,0,0|3,0,0]=4 5295 B14R1.422 NC(=O)CCOCCC1CCOCC1 34a_100011933979_100000731001 [0,0,0,1,0,0|3,0,0]=4 5296 B14R1.422 NC(=O)CCOCCC1CCOCC1 7a_100000757172_100011934994 [0,0,0,1,0,0|3,0,0]=4 5297 B14R1.422 NC(=O)CCOCCC1CCOCC1 7a_100011933979_100000744528 [0,0,0,1,0,0|3,0,0]=4 5298 B14R1.422 NC(=O)CCOCCN1CCCCC1 34a_100000757172_100000739454 [0,0,0,1,0,0|3,0,0]=4 5299 B14R1.422 NC(=O)CCOCCN1CCCCC1 7a_100000757172_100000739454 [0,0,0,1,0,0|3,0,0]=4 5300 B14R1.422 NC(=O)CCOCOC1CCCCC1 34a_100000757172_100011935260 [0,0,0,1,0,0|3,0,0]=4 5301 B14R1.422 NC(=O)CCOCOC1CCCCC1 7a_100000757172_100011935260 [0,0,0,1,0,0|3,0,0]=4 5302 B14R1.422 NC(=O)CCSCCC1CCCCC1 62a_100000744528_100012355289 [0,0,0,1,0,0|2,0,0]=3 5303 B14R1.422 NC(=O)CCSCCC1CCCCC1 62a_100012355289_100000744528 [0,0,0,1,0,0|2,0,0]=3 5304 B14R1.422 NC(=O)CCSCCC1CCOCC1 62a_100000744528_100011934994 [0,0,0,1,0,0|3,0,0]=4 5305 B14R1.422 NC(=O)CCSCCC1CCOCC1 62a_100011934994_100000744528 [0,0,0,1,0,0|3,0,0]=4 5306 B14R1.422 NC(=O)CCSCCN1CCCCC1 62a_100000739454_100000744528 [0,0,0,1,0,0|3,0,0]=4 5307 B14R1.422 NC(=O)CCSCCN1CCCCC1 62a_100000744528_100000739454 [0,0,0,1,0,0|3,0,0]=4 5308 B14R1.422 NC(=O)CCSCOC1CCCCC1 62a_100000744528_100011935260 [0,0,0,1,0,0|3,0,0]=4 5309 B14R1.422 NC(=O)CCSCOC1CCCCC1 62a_100011935260_100000744528 [0,0,0,1,0,0|3,0,0]=4 5310 B14R1.422 NC(=O)CNCCCC1CCCCC1 2230a_100000711301_100011713725 [0,0,0,1,0,0|2,0,0]=3 5311 B14R1.422 NC(=O)CNCCCC1CCCCC1 2230a_100011211642_100000747473 [0,0,0,1,0,0|2,0,0]=3 5312 B14R1.422 NC(=O)CNCCCC1CCCCC1 34a_100011211642_100000187820 [0,0,0,1,0,0|2,0,0]=3 5313 B14R1.422 NC(=O)CNCCCN1CCCCC1 2230a_100000711301_100000690320 [0,0,0,1,0,0|3,0,0]=4 5314 B14R1.422 NC(=O)CNCCOC1CCCCC1 2230a_100000711301_100011211530 [0,0,0,1,0,0|3,0,0]=4 5315 B14R1.422 NC(=O)CNCCOC1CCCCC1 34a_100015206981_100000187820 [0,0,0,1,0,0|3,0,0]=4 5316 B14R1.422 NC(=O)COCCCC1CCCCC1 34a_100000198086_100000187820 [0,0,0,1,0,0|2,0,0]=3 5317 B14R1.422 NC(=O)COCCCC1CCCCC1 7a_100000198086_100000187820 [0,0,0,1,0,0|2,0,0]=3 5318 B14R1.422 NC(=O)COCCCC1CCCCN1 34a_100011934581_100000187820 [0,0,0,1,0,0|3,0,0]=4 5319 B14R1.422 NC(=O)COCCCC1CCCNC1 34a_100150707839_100000187820 [0,0,0,1,0,0|3,0,0]=4 5320 B14R1.422 NC(=O)COCCCC1CCNCC1 34a_100016988962_100000187820 [0,0,0,1,0,0|3,0,0]=4 5321 B14R1.422 NC(=O)COCCCN1CCCCC1 34a_100000212458_100000187820 [0,0,0,1,0,0|3,0,0]=4 5322 B14R1.422 NC(=O)COCCNC1CCCCC1 2230a_100000182618_100000076697 [0,0,0,1,0,0|3,0,0]=4 5323 B14R1.422 NC(=O)COCCNC1CCCCC1 34a_100000182618_100000076697 [0,0,0,1,0,0|3,0,0]=4 5324 B14R1.422 NC(=O)COCCNC1CCCCC1 34a_100000200466_100000187820 [0,0,0,1,0,0|3,0,0]=4 5325 B14R1.422 NC(=O)COCCOC1CCCCC1 34a_100000210231_100000076697 [0,0,0,1,0,0|3,0,0]=4 5326 B14R1.422 NC(=O)COCCOC1CCCCC1 34a_100011249652_100000187820 [0,0,0,1,0,0|3,0,0]=4 5327 B14R1.422 NC(=O)COCCOC1CCCCC1 7a_100000210231_100000076697 [0,0,0,1,0,0|3,0,0]=4 5328 B14R1.422 NC(=O)COCCOC1CCCCC1 7a_100011249652_100000187820 [0,0,0,1,0,0|3,0,0]=4 5329 B14R1.422 NC(=O)COCCSC1CCCCC1 62a_100000076697_100000210327 [0,0,0,1,0,0|3,0,0]=4 5330 B14R1.422 NC(=O)COCCSC1CCCCC1 62a_100000210327_100000076697 [0,0,0,1,0,0|3,0,0]=4 5331 B14R1.422 NC(=O)CSCCCC1CCCCC1 62a_100000747473_100011713725 [0,0,0,1,0,0|2,0,0]=3 5332 B14R1.422 NC(=O)CSCCCC1CCCCC1 62a_100011713725_100000747473 [0,0,0,1,0,0|2,0,0]=3 5333 B14R1.422 NC(=O)CSCCCN1CCCCC1 62a_100000747473_100000007876 [0,0,0,1,0,0|3,0,0]=4 5334 B14R1.422 NC(=O)CSCCCN1CCCCC1 62a_100132302099_100000747473 [0,0,0,1,0,0|3,0,0]=4 5335 B14R1.422 NC(=O)CSCCOC1CCCCC1 62a_100000747473_100011211530 [0,0,0,1,0,0|3,0,0]=4 5336 B14R1.422 NC(=O)CSCCOC1CCCCC1 62a_100011211530_100000747473 [0,0,0,1,0,0|3,0,0]=4 5337 B14R1.422 NC(=O)NCCNCC1CCCCC1 2230a_100000210473_200000034859 [0,0,0,1,0,0|3,0,0]=4 5338 B14R1.422 NC(=O)NCCNCC1CCCCC1 269862a_100020590234_100000211278 [0,0,0,1,0,0|3,0,0]=4 5339 B14R1.422 NC(=O)NCCNCC1CCCCC1 34a_100020590234_100000211423 [0,0,0,1,0,0|3,0,0]=4 5340 B14R1.422 NC(=O)NCCOCC1CCCCC1 34a_100000181757_100000211423 [0,0,0,1,0,0|3,0,0]=4 5341 B14R1.422 NC(=O)NCCOCC1CCCCC1 7a_100000212181_200000034859 [0,0,0,1,0,0|3,0,0]=4 5342 B14R1.422 NC(=O)NCCSCC1CCCCC1 62a_100000211423_200000034859 [0,0,0,1,0,0|3,0,0]=4 5343 B14R1.422 NC(=O)NCCSCC1CCCCC1 62a_200000034859_100000211423 [0,0,0,1,0,0|3,0,0]=4 5344 B14R1.422 NC(=O)OCCNCC1CCCCC1 34a_100000210473_200011214921 [0,0,0,1,0,0|3,0,0]=4 5345 B14R1.422 NC(=O)OCCOCC1CCCCC1 34a_100000212181_200011214921 [0,0,0,1,0,0|3,0,0]=4 5346 B14R1.422 NC(=O)OCCOCC1CCCCC1 7a_100000212181_200011214921 [0,0,0,1,0,0|3,0,0]=4 5347 B14R1.422 NC(=O)OCCOCC1CCCCC1 7a_100000766696_100000211423 [0,0,0,1,0,0|3,0,0]=4 5348 B14R1.422 NC(=O)OCCSCC1CCCCC1 62a_100000211423_200011214921 [0,0,0,1,0,0|3,0,0]=4 5349 B14R1.422 NC(=O)OCCSCC1CCCCC1 62a_200011214921_100000211423 [0,0,0,1,0,0|3,0,0]=4 5350 B14R1.422 O=C(O)CNCCCC1CCCCC1 269956a_100016091260_100011713725 [0,0,0,1,0,0|2,0,0]=3 5351 B14R1.422 O=C(O)CNCCCN1CCCCC1 269956a_100016091260_100000007876 [0,0,0,1,0,0|3,0,0]=4 5352 B14R1.422 O=C(O)CNCCOC1CCCCC1 269956a_100016091260_100011211530 [0,0,0,1,0,0|3,0,0]=4 5353 B14R1.422 O=C(O)COCCNC1CCCCC1 269956a_100000700818_100000210327 [0,0,0,1,0,0|3,0,0]=4 5354 B14R1.422 O=C(O)CONCCC1CCCCC1 269956a_100000106656_100011273959 [0,0,0,1,0,0|3,0,0]=4 5355 B14R1.422 O=C([O-])CNCCCC1CCCCC1 34a_100011211642_100020667443 [0,0,0,1,0,0|2,0,0]=3 5356 B14R1.422 O=C([O-])CNCCOC1CCCCC1 34a_100015206981_100020667443 [0,0,0,1,0,0|3,0,0]=4 5357 B14R1.422 O=C([O-])COCCCC1CCCCC1 34a_100000198086_100020667443 [0,0,0,1,0,0|2,0,0]=3 5358 B14R1.422 O=C([O-])COCCCC1CCCCN1 34a_100011934581_100020667443 [0,0,0,1,0,0|3,0,0]=4 5359 B14R1.422 O=C([O-])COCCCC1CCCNC1 34a_100150707839_100020667443 [0,0,0,1,0,0|3,0,0]=4 5360 B14R1.422 O=C([O-])COCCCC1CCNCC1 34a_100016988962_100020667443 [0,0,0,1,0,0|3,0,0]=4 5361 B14R1.422 O=C([O-])COCCCN1CCCCC1 34a_100000212458_100020667443 [0,0,0,1,0,0|3,0,0]=4 5362 B14R1.422 O=C([O-])COCCNC1CCCCC1 34a_100000200466_100020667443 [0,0,0,1,0,0|3,0,0]=4 5363 B14R1.422 O=C([O-])COCCOC1CCCCC1 34a_100011249652_100020667443 [0,0,0,1,0,0|3,0,0]=4 5364 B14R1.422 O=C([O-])CSCCCC1CCCCC1 62a_100011713725_100020667443 [0,0,0,1,0,0|2,0,0]=3 5365 B14R1.422 O=C([O-])CSCCCC1CCCCC1 62a_100020667443_100011713725 [0,0,0,1,0,0|2,0,0]=3 5366 B14R1.422 O=C([O-])CSCCCN1CCCCC1 62a_100020667443_100000007876 [0,0,0,1,0,0|3,0,0]=4 5367 B14R1.422 O=C([O-])CSCCCN1CCCCC1 62a_100132302099_100020667443 [0,0,0,1,0,0|3,0,0]=4 5368 B14R1.422 O=C([O-])CSCCOC1CCCCC1 62a_100011211530_100020667443 [0,0,0,1,0,0|3,0,0]=4 5369 B14R1.422 O=C([O-])CSCCOC1CCCCC1 62a_100020667443_100011211530 [0,0,0,1,0,0|3,0,0]=4 5370 B14R1.422 O=[N+]([O-])CCCCOC1CCCCC1 34a_200015379883_100000210327 [0,0,0,1,0,0|3,0,0]=4 5371 B14R1.422 O=[N+]([O-])CCCCOC1CCCCC1 7a_200015379883_100000210327 [0,0,0,1,0,0|3,0,0]=4 5372 B14R1.422 O=[N+]([O-])CCCOCC1CCCCC1 34a_200000037920_100000211423 [0,0,0,1,0,0|3,0,0]=4 5373 B14R1.422 O=[N+]([O-])CNCCCC1CCCCC1 34a_100011211642_100000761209 [0,0,0,1,0,0|3,0,0]=4 5374 B14R1.422 O=[N+]([O-])COCCCC1CCCCC1 34a_100000198086_100000761209 [0,0,0,1,0,0|3,0,0]=4 5375 B14R1.422 O=[N+]([O-])CSCCCC1CCCCC1 62a_100011713725_100000761209 [0,0,0,1,0,0|3,0,0]=4 5376 B14R1.422 [13CH3]C(=O)CCCCCN1CCCCC1 1458a_100012051570_200025704644 [0,0,0,1,0,0|2,0,0]=3 5377 B14R1.422 [13CH3]C(=O)CCCCCN1CCOCC1 1458a_100012051560_200025704644 [0,0,0,1,0,0|3,0,0]=4 5378 B14R1.427 C=C(Br)CCOCCCC1CCCC1 34a_100009813270_100011713738 [0,0,0,1,0,0|2,1,0]=4 5379 B14R1.427 C=C(C)CCNCCCC1CCCC1 2230a_100000736752_100000730704 [0,0,0,1,0,0|3,0,0]=4 5380 B14R1.427 C=C(C)CCNCCCC1CCCC1 34a_100000736752_100000730704 [0,0,0,1,0,0|3,0,0]=4 5381 B14R1.427 C=C(C)CCOCCCC1CCCC1 34a_100000764851_100011713738 [0,0,0,1,0,0|3,0,0]=4 5382 B14R1.427 C=C(C)CCOCCCC1CCCC1 34a_100011215328_100000730704 [0,0,0,1,0,0|3,0,0]=4 5383 B14R1.427 C=C(C)CCOCCCC1CCCC1 7a_100011215328_100000730704 [0,0,0,1,0,0|3,0,0]=4 5384 B14R1.427 C=C(C)CCSCCCC1CCCC1 62a_100000730704_100011713738 [0,0,0,1,0,0|3,0,0]=4 5385 B14R1.427 C=C(C)CCSCCCC1CCCC1 62a_100011713738_100000730704 [0,0,0,1,0,0|3,0,0]=4 5386 B14R1.427 CC(=O)CCCCNCC1CCCC1 34a_100000737975_100009817362 [0,0,0,1,0,0|2,0,0]=3 5387 B14R1.427 CC(=O)CCCCNCC1CCOC1 34a_100000737293_100009817362 [0,0,0,1,0,0|3,0,0]=4 5388 B14R1.427 CC(=O)CCCCNC[C@@H]1CCCO1 34a_100020590478_100009817362 [0,0,0,1,0,0|3,0,0]=4 5389 B14R1.427 CC(=O)CCCCOCC1CCCC1 34a_100000742336_100009817362 [0,0,0,1,0,0|2,0,0]=3 5390 B14R1.427 CC(=O)CCCCOCC1CCCC1 7a_100000742336_100000735457 [0,0,0,1,0,0|2,0,0]=3 5391 B14R1.427 CC(=O)CCCCOCC1CCCO1 34a_100000210270_100009817362 [0,0,0,1,0,0|3,0,0]=4 5392 B14R1.427 CC(=O)CCCCOCC1CCCO1 7a_100000210270_100000735457 [0,0,0,1,0,0|3,0,0]=4 5393 B14R1.427 CC(=O)CCCCOCC1CCNC1 34a_100000748654_100009817362 [0,0,0,1,0,0|3,0,0]=4 5394 B14R1.427 CC(=O)CCCCOCC1CCOC1 34a_100000740260_100009817362 [0,0,0,1,0,0|3,0,0]=4 5395 B14R1.427 CC(=O)CCCCOC[C@H]1CCCN1 34a_100000745186_100009817362 [0,0,0,1,0,0|3,0,0]=4 5396 B14R1.427 CC(=O)CCCCSCC1CCCC1 62a_100000735457_100000740388 [0,0,0,1,0,0|2,0,0]=3 5397 B14R1.427 CC(=O)CCCCSCC1CCCC1 62a_100000740388_100000735457 [0,0,0,1,0,0|2,0,0]=3 5398 B14R1.427 CC(=O)CCCCSCC1CCCO1 62a_100000203698_100000735457 [0,0,0,1,0,0|3,0,0]=4 5399 B14R1.427 CC(=O)CCCCSCC1CCCO1 62a_100000735457_100000203698 [0,0,0,1,0,0|3,0,0]=4 5400 B14R1.427 CC(=O)CCCCSCC1CCOC1 62a_100000702531_100000735457 [0,0,0,1,0,0|3,0,0]=4 5401 B14R1.427 CC(=O)CCCCSCC1CCOC1 62a_100000735457_100000702531 [0,0,0,1,0,0|3,0,0]=4 5402 B14R1.427 CC(=O)CCCNCCC1CCCC1 34a_100000739158_100000685027 [0,0,0,1,0,0|2,0,0]=3 5403 B14R1.427 CC(=O)CCCOCCC1CCCC1 34a_100000749090_100000685027 [0,0,0,1,0,0|2,0,0]=3 5404 B14R1.427 CC(=O)CCCOCCC1CCCC1 34a_100000759063_100000760354 [0,0,0,1,0,0|2,0,0]=3 5405 B14R1.427 CC(=O)CCCOCCC1CCCC1 7a_100000749090_100011215641 [0,0,0,1,0,0|2,0,0]=3 5406 B14R1.427 CC(=O)CCCOCCC1CCCC1 7a_100000759063_100000760354 [0,0,0,1,0,0|2,0,0]=3 5407 B14R1.427 CC(=O)CCCOCCC1CCNC1 34a_100016987287_100000685027 [0,0,0,1,0,0|3,0,0]=4 5408 B14R1.427 CC(=O)CCCOCCC1CCOC1 34a_100011879284_100000685027 [0,0,0,1,0,0|3,0,0]=4 5409 B14R1.427 CC(=O)CCCOCCN1CCCC1 7a_100000759063_100000004467 [0,0,0,1,0,0|3,0,0]=4 5410 B14R1.427 CC(=O)CCCSCCC1CCCC1 62a_100000760354_100011215641 [0,0,0,1,0,0|2,0,0]=3 5411 B14R1.427 CC(=O)CCCSCCC1CCCC1 62a_100011215641_100000760354 [0,0,0,1,0,0|2,0,0]=3 5412 B14R1.427 CC(=O)CCCSCCN1CCCC1 62a_100000700749_100011215641 [0,0,0,1,0,0|3,0,0]=4 5413 B14R1.427 CC(=O)CCCSCCN1CCCC1 62a_100011215641_100000004467 [0,0,0,1,0,0|3,0,0]=4 5414 B14R1.427 CC(=O)CCOCCCC1CCCC1 34a_100000759926_100011713738 [0,0,0,1,0,0|2,0,0]=3 5415 B14R1.427 CC(=O)CCOCCCC1CCCC1 7a_100000759926_100011713738 [0,0,0,1,0,0|2,0,0]=3 5416 B14R1.427 CC(=O)CCOCCCC1CCCC1 7a_100011215328_100000053229 [0,0,0,1,0,0|2,0,0]=3 5417 B14R1.427 CC(=O)CCOCCCN1CCCC1 34a_100000759926_100016991639 [0,0,0,1,0,0|3,0,0]=4 5418 B14R1.427 CC(=O)CCOCCCN1CCCC1 7a_100000759926_100011445909 [0,0,0,1,0,0|3,0,0]=4 5419 B14R1.427 CC(=O)CCOCCOC1CCCC1 7a_100000738311_100000053229 [0,0,0,1,0,0|3,0,0]=4 5420 B14R1.427 CC(=O)CCSCCCC1CCCC1 62a_100000053229_100011713738 [0,0,0,1,0,0|2,0,0]=3 5421 B14R1.427 CC(=O)CCSCCCC1CCCC1 62a_100011713738_100000053229 [0,0,0,1,0,0|2,0,0]=3 5422 B14R1.427 CC(=O)CCSCCCN1CCCC1 62a_100000053229_100011445909 [0,0,0,1,0,0|3,0,0]=4 5423 B14R1.427 CC(=O)CCSCCCN1CCCC1 62a_100016991639_100000053229 [0,0,0,1,0,0|3,0,0]=4 5424 B14R1.427 CC(=O)NCCCCCN1CCCC1 1626a_100011491779_100015343762 [0,0,0,1,0,0|3,0,0]=4 5425 B14R1.427 CC(=O)NCCCCCN1CCCC1 240690a_100011491779_100015343762 [0,0,0,1,0,0|3,0,0]=4 5426 B14R1.427 CC(=O)NCCCCNC1CCCC1 2230a_200011368371_100000179811 [0,0,0,1,0,0|3,0,0]=4 5427 B14R1.427 CC(=O)NCCCCNC1CCCC1 270004a_200011368371_100000210133 [0,0,0,1,0,0|3,0,0]=4 5428 B14R1.427 CC(=O)NCCCCNC1CCCC1 34a_200011368371_100000179811 [0,0,0,1,0,0|3,0,0]=4 5429 B14R1.427 CC(=O)NCCCNCC1CCCC1 269862a_100000736810_100000746403 [0,0,0,1,0,0|3,0,0]=4 5430 B14R1.427 CC(=O)NCCCNCC1CCCC1 34a_100000736810_100000740388 [0,0,0,1,0,0|3,0,0]=4 5431 B14R1.427 CC(=O)NCCCOCC1CCCC1 34a_100000752032_100000740388 [0,0,0,1,0,0|3,0,0]=4 5432 B14R1.427 CC(=O)NCCNCCC1CCCC1 2230a_100000209853_100000760354 [0,0,0,1,0,0|3,0,0]=4 5433 B14R1.427 CC(=O)NCCNCCC1CCCC1 2230a_100000739158_100000189650 [0,0,0,1,0,0|3,0,0]=4 5434 B14R1.427 CC(=O)NCCOCCC1CCCC1 34a_100000158858_100000760354 [0,0,0,1,0,0|3,0,0]=4 5435 B14R1.427 CC(=O)NCCOCCC1CCCC1 7a_100000749090_100000189650 [0,0,0,1,0,0|3,0,0]=4 5436 B14R1.427 CC(=O)NCCSCCC1CCCC1 62a_100000189650_100000760354 [0,0,0,1,0,0|3,0,0]=4 5437 B14R1.427 CC(=O)NCCSCCC1CCCC1 62a_100000760354_100000189650 [0,0,0,1,0,0|3,0,0]=4 5438 B14R1.427 CC(=O)OCCCCCN1CCCC1 2230a_100000188435_100009813381 [0,0,0,1,0,0|3,0,0]=4 5439 B14R1.427 CC(=O)OCCCCCN1CCCC1 269982a_100000188435_100000033007 [0,0,0,1,0,0|3,0,0]=4 5440 B14R1.427 CC(=O)OCCCCNC1CCCC1 34a_100000211070_100000033659 [0,0,0,1,0,0|3,0,0]=4 5441 B14R1.427 CC(=O)OCCCCOC1CCCC1 34a_100000073216_100000179811 [0,0,0,1,0,0|3,0,0]=4 5442 B14R1.427 CC(=O)OCCCCOC1CCCC1 34a_100000210269_100000033659 [0,0,0,1,0,0|3,0,0]=4 5443 B14R1.427 CC(=O)OCCCCOC1CCCC1 7a_100000073216_100000179811 [0,0,0,1,0,0|3,0,0]=4 5444 B14R1.427 CC(=O)OCCCCOC1CCCC1 7a_100000210269_100000033659 [0,0,0,1,0,0|3,0,0]=4 5445 B14R1.427 CC(=O)OCCCCSC1CCCC1 62a_100000033659_100000179811 [0,0,0,1,0,0|3,0,0]=4 5446 B14R1.427 CC(=O)OCCCCSC1CCCC1 62a_100011217020_100000033659 [0,0,0,1,0,0|3,0,0]=4 5447 B14R1.427 CC(=O)OCCCNCC1CCCC1 34a_100000737975_100000042594 [0,0,0,1,0,0|3,0,0]=4 5448 B14R1.427 CC(=O)OCCCOCC1CCCC1 34a_100000742336_100000042594 [0,0,0,1,0,0|3,0,0]=4 5449 B14R1.427 CC(=O)OCCCOCC1CCCC1 7a_100000742336_100000042594 [0,0,0,1,0,0|3,0,0]=4 5450 B14R1.427 CC(=O)OCCCSCC1CCCC1 62a_100000042594_100000740388 [0,0,0,1,0,0|3,0,0]=4 5451 B14R1.427 CC(=O)OCCCSCC1CCCC1 62a_100000740388_100000042594 [0,0,0,1,0,0|3,0,0]=4 5452 B14R1.427 CC(=O)OCCNCCC1CCCC1 34a_100000739158_100009814007 [0,0,0,1,0,0|3,0,0]=4 5453 B14R1.427 CC(=O)OCCOCCC1CCCC1 34a_100000749090_100009814007 [0,0,0,1,0,0|3,0,0]=4 5454 B14R1.427 CC(=O)OCCOCCC1CCCC1 7a_100000749090_100009814007 [0,0,0,1,0,0|3,0,0]=4 5455 B14R1.427 CC(=O)OCCSCCC1CCCC1 62a_100000760354_100009814007 [0,0,0,1,0,0|3,0,0]=4 5456 B14R1.427 CC(=O)OCCSCCC1CCCC1 62a_100009814007_100000760354 [0,0,0,1,0,0|3,0,0]=4 5457 B14R1.427 CC(=O)OCNCCCC1CCCC1 34a_100000736752_100009813279 [0,0,0,1,0,0|3,0,0]=4 5458 B14R1.427 CC(=O)OCOCCCC1CCCC1 34a_100011215328_100009813279 [0,0,0,1,0,0|3,0,0]=4 5459 B14R1.427 CC(=O)OCSCCCC1CCCC1 62a_100000076356_100011713738 [0,0,0,1,0,0|3,0,0]=4 5460 B14R1.427 CC(=O)OCSCCCC1CCCC1 62a_100011713738_100000076356 [0,0,0,1,0,0|3,0,0]=4 5461 B14R1.427 CC(=O)SCCCCNC1CCCC1 2230a_100000211070_200010402107 [0,0,0,1,0,0|3,0,0]=4 5462 B14R1.427 CC(=O)SCCCCNC1CCCC1 34a_100000211070_200010402107 [0,0,0,1,0,0|3,0,0]=4 5463 B14R1.427 CC(=O)SCCCCOC1CCCC1 34a_100000210269_200010402107 [0,0,0,1,0,0|3,0,0]=4 5464 B14R1.427 CC(=O)SCCCCOC1CCCC1 7a_100000210269_200010402107 [0,0,0,1,0,0|3,0,0]=4 5465 B14R1.427 CC(=O)SCCCCSC1CCCC1 62a_100011217020_200010402107 [0,0,0,1,0,0|3,0,0]=4 5466 B14R1.427 CC(=O)SCCCCSC1CCCC1 62a_200010402107_100000179811 [0,0,0,1,0,0|3,0,0]=4 5467 B14R1.427 CC(=O)SCCCNCC1CCCC1 2230a_100000737975_100000038929 [0,0,0,1,0,0|3,0,0]=4 5468 B14R1.427 CC(=O)SCCCNCC1CCCC1 34a_100000737975_100000038929 [0,0,0,1,0,0|3,0,0]=4 5469 B14R1.427 CC(=O)SCCCOCC1CCCC1 34a_100000742336_100000038929 [0,0,0,1,0,0|3,0,0]=4 5470 B14R1.427 CC(=O)SCCCOCC1CCCC1 7a_100000742336_100000038929 [0,0,0,1,0,0|3,0,0]=4 5471 B14R1.427 CC(=O)SCCCSCC1CCCC1 62a_100000038929_100000740388 [0,0,0,1,0,0|3,0,0]=4 5472 B14R1.427 CC(=O)SCCCSCC1CCCC1 62a_100000740388_100000038929 [0,0,0,1,0,0|3,0,0]=4 5473 B14R1.427 CS(=O)CCCNCCC1CCCC1 2230a_200000753449_100000760354 [0,0,0,1,0,0|3,0,0]=4 5474 B14R1.427 NC(=O)CCCCCNC1CCCC1 2230a_100000211070_100009817443 [0,0,0,1,0,0|2,0,0]=3 5475 B14R1.427 NC(=O)CCCCCNC1CCCC1 34a_100000211070_100009817443 [0,0,0,1,0,0|2,0,0]=3 5476 B14R1.427 NC(=O)CCCCCN[C@@H]1CCOC1 2230a_200015188469_100009817443 [0,0,0,1,0,0|3,0,0]=4 5477 B14R1.427 NC(=O)CCCCCN[C@H]1CCOC1 2230a_100015188467_100009817443 [0,0,0,1,0,0|3,0,0]=4 5478 B14R1.427 NC(=O)CCCCCN[C@H]1CCOC1 34a_100015188467_100009817443 [0,0,0,1,0,0|3,0,0]=4 5479 B14R1.427 NC(=O)CCCCCOC1CCCC1 34a_100000123541_100000179811 [0,0,0,1,0,0|2,0,0]=3 5480 B14R1.427 NC(=O)CCCCCOC1CCCC1 34a_100000210269_100009817443 [0,0,0,1,0,0|2,0,0]=3 5481 B14R1.427 NC(=O)CCCCCOC1CCCC1 7a_100000123541_100000179811 [0,0,0,1,0,0|2,0,0]=3 5482 B14R1.427 NC(=O)CCCCCOC1CCCC1 7a_100000210269_100009817443 [0,0,0,1,0,0|2,0,0]=3 5483 B14R1.427 NC(=O)CCCCCOC1CCCO1 34a_100000085407_100009817443 [0,0,0,1,0,0|3,0,0]=4 5484 B14R1.427 NC(=O)CCCCCOC1CCOC1 34a_100000123541_100000690089 [0,0,0,1,0,0|3,0,0]=4 5485 B14R1.427 NC(=O)CCCCCOC1CCOC1 7a_100000123541_100000731011 [0,0,0,1,0,0|3,0,0]=4 5486 B14R1.427 NC(=O)CCCCCOC1CCSC1 7a_100011232664_100009817443 [0,0,0,1,0,0|3,0,0]=4 5487 B14R1.427 NC(=O)CCCCCO[C@H]1CCOC1 34a_100000717292_100009817443 [0,0,0,1,0,0|3,0,0]=4 5488 B14R1.427 NC(=O)CCCCCSC1CCCC1 62a_100009817443_100000179811 [0,0,0,1,0,0|2,0,0]=3 5489 B14R1.427 NC(=O)CCCCCSC1CCCC1 62a_100011217020_100009817443 [0,0,0,1,0,0|2,0,0]=3 5490 B14R1.427 NC(=O)CCCCCSC1CCOC1 62a_100009817443_100000690089 [0,0,0,1,0,0|3,0,0]=4 5491 B14R1.427 NC(=O)CCCCNCC1CCCC1 269862a_100000696515_100000746403 [0,0,0,1,0,0|2,0,0]=3 5492 B14R1.427 NC(=O)CCCCNCC1CCCC1 34a_100000696515_100000740388 [0,0,0,1,0,0|2,0,0]=3 5493 B14R1.427 NC(=O)CCCCNCC1CCOC1 34a_100000696515_100011261433 [0,0,0,1,0,0|3,0,0]=4 5494 B14R1.427 NC(=O)CCCCOCC1CCCC1 34a_100012022536_100000740388 [0,0,0,1,0,0|2,0,0]=3 5495 B14R1.427 NC(=O)CCCCOCC1CCCC1 7a_100012022536_100000740388 [0,0,0,1,0,0|2,0,0]=3 5496 B14R1.427 NC(=O)CCCCOCC1CCCO1 7a_100012022536_100000203698 [0,0,0,1,0,0|3,0,0]=4 5497 B14R1.427 NC(=O)CCCCOCC1CCOC1 34a_100012022536_100011261433 [0,0,0,1,0,0|3,0,0]=4 5498 B14R1.427 NC(=O)CCCCOCC1CCOC1 7a_100012022536_100000702531 [0,0,0,1,0,0|3,0,0]=4 5499 B14R1.427 NC(=O)CCCNCCC1CCCC1 34a_100000739158_100102525003 [0,0,0,1,0,0|2,0,0]=3 5500 B14R1.427 NC(=O)CCCNCCC1CCCC1 34a_100000739312_100000760354 [0,0,0,1,0,0|2,0,0]=3 5501 B14R1.427 NC(=O)CCCOCCC1CCCC1 34a_100000749090_100102525003 [0,0,0,1,0,0|2,0,0]=3 5502 B14R1.427 NC(=O)CCCOCCC1CCCC1 7a_100000749090_100102525003 [0,0,0,1,0,0|2,0,0]=3 5503 B14R1.427 NC(=O)CCCOCCC1CCNC1 34a_100016987287_100102525003 [0,0,0,1,0,0|3,0,0]=4 5504 B14R1.427 NC(=O)CCCOCCC1CCOC1 34a_100011879284_100102525003 [0,0,0,1,0,0|3,0,0]=4 5505 B14R1.427 NC(=O)CCCSCCC1CCCC1 62a_100000760354_100102525003 [0,0,0,1,0,0|2,0,0]=3 5506 B14R1.427 NC(=O)CCCSCCC1CCCC1 62a_100102525003_100000760354 [0,0,0,1,0,0|2,0,0]=3 5507 B14R1.427 NC(=O)CCCSCCN1CCCC1 62a_100000700749_100102525003 [0,0,0,1,0,0|3,0,0]=4 5508 B14R1.427 NC(=O)CCCSCCN1CCCC1 62a_100102525003_100000004467 [0,0,0,1,0,0|3,0,0]=4 5509 B14R1.427 NC(=O)CCNCCCC1CCCC1 2230a_100000736752_100000744528 [0,0,0,1,0,0|2,0,0]=3 5510 B14R1.427 NC(=O)CCNCCCC1CCCC1 34a_100000736752_100000731001 [0,0,0,1,0,0|2,0,0]=3 5511 B14R1.427 NC(=O)CCNCCOC1CCCC1 34a_100000741755_100000731001 [0,0,0,1,0,0|3,0,0]=4 5512 B14R1.427 NC(=O)CCOCCCC1CCCC1 34a_100000757172_100011713738 [0,0,0,1,0,0|2,0,0]=3 5513 B14R1.427 NC(=O)CCOCCCC1CCCC1 34a_100011215328_100000731001 [0,0,0,1,0,0|2,0,0]=3 5514 B14R1.427 NC(=O)CCOCCCC1CCCC1 7a_100000757172_100011713738 [0,0,0,1,0,0|2,0,0]=3 5515 B14R1.427 NC(=O)CCOCCCC1CCCC1 7a_100011215328_100000744528 [0,0,0,1,0,0|2,0,0]=3 5516 B14R1.427 NC(=O)CCOCCCN1CCCC1 34a_100000757172_100016991639 [0,0,0,1,0,0|3,0,0]=4 5517 B14R1.427 NC(=O)CCOCCCN1CCCC1 7a_100000757172_100011445909 [0,0,0,1,0,0|3,0,0]=4 5518 B14R1.427 NC(=O)CCOCCNC1CCCC1 34a_200000200444_100000731001 [0,0,0,1,0,0|3,0,0]=4 5519 B14R1.427 NC(=O)CCOCCOC1CCCC1 34a_100000738311_100000731001 [0,0,0,1,0,0|3,0,0]=4 5520 B14R1.427 NC(=O)CCOCCOC1CCCC1 7a_100000738311_100000744528 [0,0,0,1,0,0|3,0,0]=4 5521 B14R1.427 NC(=O)CCSCCCC1CCCC1 62a_100000744528_100011713738 [0,0,0,1,0,0|2,0,0]=3 5522 B14R1.427 NC(=O)CCSCCCC1CCCC1 62a_100011713738_100000744528 [0,0,0,1,0,0|2,0,0]=3 5523 B14R1.427 NC(=O)CCSCCCN1CCCC1 62a_100000744528_100011445909 [0,0,0,1,0,0|3,0,0]=4 5524 B14R1.427 NC(=O)CCSCCCN1CCCC1 62a_100016991639_100000744528 [0,0,0,1,0,0|3,0,0]=4 5525 B14R1.427 NC(=O)CNCCCOC1CCCC1 34a_100000747560_100000187820 [0,0,0,1,0,0|3,0,0]=4 5526 B14R1.427 NC(=O)COCCNCC1CCCC1 2230a_100000737975_100000076697 [0,0,0,1,0,0|3,0,0]=4 5527 B14R1.427 NC(=O)COCCNCC1CCCC1 34a_100000737975_100000076697 [0,0,0,1,0,0|3,0,0]=4 5528 B14R1.427 NC(=O)COCCOCC1CCCC1 34a_100000742336_100000076697 [0,0,0,1,0,0|3,0,0]=4 5529 B14R1.427 NC(=O)COCCOCC1CCCC1 7a_100000742336_100000076697 [0,0,0,1,0,0|3,0,0]=4 5530 B14R1.427 NC(=O)COCCSCC1CCCC1 62a_100000076697_100000740388 [0,0,0,1,0,0|3,0,0]=4 5531 B14R1.427 NC(=O)COCCSCC1CCCC1 62a_100000740388_100000076697 [0,0,0,1,0,0|3,0,0]=4 5532 B14R1.427 NC(=O)NCCNCCC1CCCC1 2230a_100000739158_200000034859 [0,0,0,1,0,0|3,0,0]=4 5533 B14R1.427 NC(=O)NCCNCCC1CCCC1 34a_100020590234_100000760354 [0,0,0,1,0,0|3,0,0]=4 5534 B14R1.427 NC(=O)NCCOCCC1CCCC1 34a_100000181757_100000760354 [0,0,0,1,0,0|3,0,0]=4 5535 B14R1.427 NC(=O)NCCOCCC1CCCC1 7a_100000749090_200000034859 [0,0,0,1,0,0|3,0,0]=4 5536 B14R1.427 NC(=O)NCCSCCC1CCCC1 62a_100000760354_200000034859 [0,0,0,1,0,0|3,0,0]=4 5537 B14R1.427 NC(=O)NCCSCCC1CCCC1 62a_200000034859_100000760354 [0,0,0,1,0,0|3,0,0]=4 5538 B14R1.427 NC(=O)OCCNCCC1CCCC1 34a_100000739158_200011214921 [0,0,0,1,0,0|3,0,0]=4 5539 B14R1.427 NC(=O)OCCOCCC1CCCC1 34a_100000749090_200011214921 [0,0,0,1,0,0|3,0,0]=4 5540 B14R1.427 NC(=O)OCCOCCC1CCCC1 7a_100000749090_200011214921 [0,0,0,1,0,0|3,0,0]=4 5541 B14R1.427 NC(=O)OCCOCCC1CCCC1 7a_100000766696_100000760354 [0,0,0,1,0,0|3,0,0]=4 5542 B14R1.427 NC(=O)OCCSCCC1CCCC1 62a_100000760354_200011214921 [0,0,0,1,0,0|3,0,0]=4 5543 B14R1.427 NC(=O)OCCSCCC1CCCC1 62a_200011214921_100000760354 [0,0,0,1,0,0|3,0,0]=4 5544 B14R1.427 O=C(O)COCCNCC1CCCC1 269956a_100000700818_100000740388 [0,0,0,1,0,0|3,0,0]=4 5545 B14R1.427 O=C(O)CONCCCC1CCCC1 269956a_100000106656_100011713738 [0,0,0,1,0,0|3,0,0]=4 5546 B14R1.427 O=C([O-])CCCCCOC1CCCC1 7a_100102619762_100000179811 [0,0,0,1,0,0|2,0,0]=3 5547 B14R1.427 O=C([O-])CCCCCOC1CCOC1 7a_100102619762_100000731011 [0,0,0,1,0,0|3,0,0]=4 5548 B14R1.427 O=C([O-])CNCCCOC1CCCC1 34a_100000747560_100020667443 [0,0,0,1,0,0|3,0,0]=4 5549 B14R1.427 O=[N+]([O-])CCCCOCC1CCCC1 34a_200015379883_100000740388 [0,0,0,1,0,0|3,0,0]=4 5550 B14R1.427 O=[N+]([O-])CCCCOCC1CCCC1 7a_200015379883_100000740388 [0,0,0,1,0,0|3,0,0]=4 5551 B14R1.427 O=[N+]([O-])CCCOCCC1CCCC1 34a_200000037920_100000760354 [0,0,0,1,0,0|3,0,0]=4 5552 B14R1.482 C=C(C)CCN1CCCCC1CCC 2230a_100000701414_100000730704 [0,0,0,1,0,0|3,0,0]=4 5553 B14R1.482 C=C(C)CCN1CCCCC1CCC 269982a_100000701414_100000730704 [0,0,0,1,0,0|3,0,0]=4 5554 B14R1.482 C=C(C)CCN1CCCCC1CCC 34a_100000701414_100000730704 [0,0,0,1,0,0|3,0,0]=4 5555 B14R1.482 C=C(C)COC1CCCCC1CCC 34a_100011217265_100000748629 [0,0,0,1,0,0|3,0,0]=4 5556 B14R1.482 C=C(C)COC1CCCCC1CCC 7a_100011217265_100000748629 [0,0,0,1,0,0|3,0,0]=4 5557 B14R1.482 C=C(F)COC1CCCCC1CCC 34a_100011217265_100009893438 [0,0,0,1,0,0|2,1,0]=4 5558 B14R1.482 C=C(F)COC1CCCCC1CCC 7a_100011217265_100000042424 [0,0,0,1,0,0|2,1,0]=4 5559 B14R1.482 CC(=O)CCN1CCCCC1CCO 269982a_100000211664_100000053229 [0,0,0,1,0,0|3,0,0]=4 5560 B14R1.482 CCCC1CCCCC1OCC(=O)N 34a_100011217265_100000187820 [0,0,0,1,0,0|2,0,0]=3 5561 B14R1.482 CCCC1CCCCC1OCC(=O)N 7a_100011217265_100000187820 [0,0,0,1,0,0|2,0,0]=3 5562 B14R1.482 CCCC1CCCCC1OCC(=O)[O-] 34a_100011217265_100020667443 [0,0,0,1,0,0|2,0,0]=3 5563 B14R1.482 CCCC1CCCCC1OC[N+](=O)[O-] 34a_100011217265_100000761209 [0,0,0,1,0,0|3,0,0]=4 5564 B14R1.482 CCCC1CCCCN1CCC(=O)C 269982a_100000701414_100000053229 [0,0,0,1,0,0|2,0,0]=3 5565 B14R1.482 CCCC1CCCCN1CCC(=O)N 2230a_100000701414_100000744528 [0,0,0,1,0,0|2,0,0]=3 5566 B14R1.482 CCCC1CCCCN1CCC(=O)N 269982a_100000701414_100000744528 [0,0,0,1,0,0|2,0,0]=3 5567 B14R1.482 CCCC1CCCCN1CCC(=O)N 34a_100000701414_100000731001 [0,0,0,1,0,0|2,0,0]=3 5568 B14R1.482 CCCC1CCCCN1COC(=O)C 269982a_100000701414_100000076356 [0,0,0,1,0,0|3,0,0]=4 5569 B14R1.482 CCCC1CCCCN1COC(=O)C 34a_100000701414_100009813279 [0,0,0,1,0,0|3,0,0]=4 5570 B14R1.482 CCCC1COCCN1CCC(=O)C 269982a_102495339903_100000053229 [0,0,0,1,0,0|3,0,0]=4 5571 B14R1.482 CCCC1COCCN1CCC(=O)N 2230a_102495339903_100000744528 [0,0,0,1,0,0|3,0,0]=4 5572 B14R1.482 CCCC1COCCN1CCC(=O)N 269982a_102495339903_100000744528 [0,0,0,1,0,0|3,0,0]=4 5573 B14R1.482 CCCC1COCCN1CCC(=O)N 34a_102495339903_100000731001 [0,0,0,1,0,0|3,0,0]=4 5574 B14R1.482 CCCN1CCCCC1CCC(=O)O 269956a_100000694054_100000210207 [0,0,0,1,0,0|2,0,0]=3 5575 B14R1.482 COCC1CCCCN1CCC(=O)C 269982a_100015184032_100000053229 [0,0,0,1,0,0|3,0,0]=4 5576 B14R1.482 COCC1CCCCN1CCC(=O)N 2230a_100015184032_100000744528 [0,0,0,1,0,0|3,0,0]=4 5577 B14R1.482 COCC1CCCCN1CCC(=O)N 269982a_100015184032_100000744528 [0,0,0,1,0,0|3,0,0]=4 5578 B14R1.482 COCC1CCCCN1CCC(=O)N 34a_100015184032_100000731001 [0,0,0,1,0,0|3,0,0]=4 5579 B14R1.482 COCN1CCCCC1CCC(=O)O 269956a_100000694054_100000766300 [0,0,0,1,0,0|3,0,0]=4 5580 B14R1.482 CSCN1CCCCC1CCC(=O)O 269956a_100000694054_100011218213 [0,0,0,1,0,0|3,0,0]=4 5581 B14R1.482 NC(=O)CCN1CCCCC1CCO 2230a_100000211664_100000744528 [0,0,0,1,0,0|3,0,0]=4 5582 B14R1.482 NC(=O)CCN1CCCCC1CCO 269982a_100000211664_100000744528 [0,0,0,1,0,0|3,0,0]=4 5583 B14R1.482 NC(=O)CCN1CCCCC1CCO 34a_100000211664_100000731001 [0,0,0,1,0,0|3,0,0]=4 5584 B14R1.482 O=C(O)CCC1CCCCN1CCF 269956a_100000694054_100011217306 [0,0,0,1,0,0|3,0,0]=4 5585 B14R1.482 O=C(O)CCC1CCCCN1CCO 269956a_100000694054_100000211926 [0,0,0,1,0,0|3,0,0]=4 5586 B14R1.498 CCCC1CCCC1NCCC(=O)N 269862a_100000740010_100000723119 [0,0,0,1,0,0|2,0,0]=3 5587 B14R1.498 CCCN1CCCC1COCC(=O)N 34a_200000694710_100000187820 [0,0,0,1,0,0|3,0,0]=4 5588 B14R1.498 CCCN1CCCC1COCC(=O)N 7a_200000694710_100000187820 [0,0,0,1,0,0|3,0,0]=4 5589 B14R1.498 CCCN1CCCC1COCC(=O)[O-] 34a_200000694710_100020667443 [0,0,0,1,0,0|3,0,0]=4 5590 B14R1.498 COC[C@@H]1CCCN1CCCC(=O)C 269982a_100020646714_100011215641 [0,0,0,1,0,0|3,0,0]=4 5591 B14R1.498 COC[C@@H]1CCCN1CCCC(=O)C 34a_100020646714_100000685027 [0,0,0,1,0,0|3,0,0]=4 5592 B14R1.498 COC[C@@H]1CCCN1CCCC(=O)N 269982a_100020646714_100102525003 [0,0,0,1,0,0|3,0,0]=4 5593 B14R1.498 COC[C@@H]1CCCN1CCCC(=O)N 34a_100020646714_100102525003 [0,0,0,1,0,0|3,0,0]=4 5594 B14R1.651 CCCCN1CCCCCC1C(=O)O 269956a_100000758484_100000210211 [0,0,0,1,0,0|2,0,0]=3 5595 B14R1.651 CCOCN1CCCCCC1C(=O)O 269956a_100000758484_100000739092 [0,0,0,1,0,0|3,0,0]=4 5596 B14R1.651 COCCN1CCCCCC1C(=O)O 269956a_100000758484_100000233755 [0,0,0,1,0,0|3,0,0]=4 5597 B14R1.651 CSCCN1CCCCCC1C(=O)O 269956a_100000758484_100000212216 [0,0,0,1,0,0|3,0,0]=4 5598 B14R1.651 O=C(O)C1CCCCCN1CCCF 269956a_100000758484_100011934791 [0,0,0,1,0,0|3,0,0]=4 5599 B14R1.651 O=C(O)C1CCCCCN1CCCO 269956a_100000758484_100011215043 [0,0,0,1,0,0|3,0,0]=4 5600 B14R1.767 C=C1CC(C1)CNCCCCCCC 2230a_100102567296_100000210681 [0,0,0,1,0,0|3,0,0]=4 5601 B14R1.767 C=C1CC(C1)CNCCCCCCC 34a_100102567296_100000210614 [0,0,0,1,0,0|3,0,0]=4 5602 B14R1.767 C=C1CC(C1)COCCCCCCC 34a_100011011225_100000210614 [0,0,0,1,0,0|3,0,0]=4 5603 B14R1.767 C=C1CC(C1)NCCCCCCCC 2230a_100132301982_100000210759 [0,0,0,1,0,0|3,0,0]=4 5604 B14R1.767 CCCCCCCCSC1CC(=O)C1 62a_100009894365_100000210317 [0,0,0,1,0,0|2,0,0]=3 5605 B14R1.767 CCCCCCCNCC1CC(=O)C1 2230a_100000229938_100009874392 [0,0,0,1,0,0|2,0,0]=3 5606 B14R1.767 CCCCCCCOCC1CC(=O)C1 34a_100000101936_100000210614 [0,0,0,1,0,0|2,0,0]=3 5607 B14R1.767 CCCCCCCOCC1CC(=O)C1 7a_100000210272_100009874392 [0,0,0,1,0,0|2,0,0]=3 5608 B14R1.767 CCCCCCCOCC1CC(C1)Cl 34a_100009874164_100000210614 [0,0,0,1,0,0|2,0,1]=4 5609 B14R1.767 CCCCCCCSCC1CC(=O)C1 62a_100000210614_100009874392 [0,0,0,1,0,0|2,0,0]=3 5610 B14R1.767 CCCCCCCSCC1CC(=O)C1 62a_100009874392_100000210316 [0,0,0,1,0,0|2,0,0]=3 5611 B14R1.767 CCCCOCCOCC1CC(=O)C1 34a_100000101936_100000743108 [0,0,0,1,0,0|3,0,0]=4 5612 B14R1.767 CCCCOCCOCC1CC(=O)C1 7a_100000210238_100009874392 [0,0,0,1,0,0|3,0,0]=4 5613 B14R1.767 CCCCOCCSCC1CC(=O)C1 62a_100000743108_100009874392 [0,0,0,1,0,0|3,0,0]=4 5614 B14R1.767 CCCCOCCSCC1CC(=O)C1 62a_100009874392_100000743108 [0,0,0,1,0,0|3,0,0]=4 5615 B14R1.767 CCCCSCCNCC1CC(=O)C1 2230a_100025743550_100009874392 [0,0,0,1,0,0|3,0,0]=4 5616 B14R1.767 CCCCSCCOCC1CC(=O)C1 7a_200000230436_100009874392 [0,0,0,1,0,0|3,0,0]=4 5617 B14R1.767 CCCOCCCNCC1CC(=O)C1 2230a_100011217757_100009874392 [0,0,0,1,0,0|3,0,0]=4 5618 B14R1.767 COCCCCCCSC1CC(=O)C1 62a_100009894365_100011998445 [0,0,0,1,0,0|3,0,0]=4 5619 B14R1.767 COCCCCCNCC1CC(=O)C1 2230a_100000747528_100009874392 [0,0,0,1,0,0|3,0,0]=4 5620 B14R1.767 O=C1CC(C1)CNCCCCCCO 2230a_100000686447_100009874392 [0,0,0,1,0,0|3,0,0]=4 5621 B14R1.767 O=C1CC(C1)COCCCCCCBr 7a_100011215345_100009874392 [0,0,0,1,0,0|3,0,0]=4 5622 B14R1.767 O=C1CC(C1)COCCCCCCCl 7a_100000766143_100009874392 [0,0,0,1,0,0|3,0,0]=4 5623 B14R1.767 O=C1CC(C1)COCCCCCCF 34a_100000101936_100015922095 [0,0,0,1,0,0|3,0,0]=4 5624 B14R1.767 O=C1CC(C1)COCCCCCCF 7a_100000732779_100009874392 [0,0,0,1,0,0|3,0,0]=4 5625 B14R1.767 O=C1CC(C1)COCCCCCCO 34a_100000101936_100000766143 [0,0,0,1,0,0|3,0,0]=4 5626 B14R1.767 O=C1CC(C1)CSCCCCCCF 62a_100009874392_100015922095 [0,0,0,1,0,0|3,0,0]=4 5627 B14R1.767 O=C1CC(C1)CSCCCCCCF 62a_100015922095_100009874392 [0,0,0,1,0,0|3,0,0]=4 5628 B14R1.767 O=C1CC(C1)CSCCCCCCO 62a_100000766143_100009874392 [0,0,0,1,0,0|3,0,0]=4 5629 B14R1.767 O=C1CC(C1)CSCCCCCCO 62a_100009874392_100000766143 [0,0,0,1,0,0|3,0,0]=4 5630 B14R1.767 O=C1CC(C1)SCCCCCCCO 62a_100009894365_100000760002 [0,0,0,1,0,0|3,0,0]=4 5631 B14R1.786 CCCCN1CCCCC1CC(=O)N 2230a_100015184752_100000210211 [0,0,0,1,0,0|2,0,0]=3 5632 B14R1.786 CCCCN1CCCCC1CC(=O)N 269982a_100015184752_100000210211 [0,0,0,1,0,0|2,0,0]=3 5633 B14R1.786 CCCCN1CCCCC1CC(=O)N 34a_100015184752_100000210210 [0,0,0,1,0,0|2,0,0]=3 5634 B14R1.786 CCOCN1CCCCC1CC(=O)N 269982a_100015184752_100000739092 [0,0,0,1,0,0|3,0,0]=4 5635 B14R1.786 COCCC1CCCCN1CC(=O)N 2230a_100015186528_100000747473 [0,0,0,1,0,0|3,0,0]=4 5636 B14R1.786 COCCC1CCCCN1CC(=O)N 269982a_100015186528_100000187820 [0,0,0,1,0,0|3,0,0]=4 5637 B14R1.786 COCCC1CCCCN1CC(=O)N 34a_100015186528_100000187820 [0,0,0,1,0,0|3,0,0]=4 5638 B14R1.786 COCCC1CCCCN1CC(=O)[O-] 269982a_100015186528_100020667443 [0,0,0,1,0,0|3,0,0]=4 5639 B14R1.786 COCCC1CCCCN1CC(=O)[O-] 34a_100015186528_100020667443 [0,0,0,1,0,0|3,0,0]=4 5640 B14R1.786 COCCN1CCCCC1CC(=O)N 2230a_100015184752_100011201679 [0,0,0,1,0,0|3,0,0]=4 5641 B14R1.786 COCCN1CCCCC1CC(=O)N 269982a_100015184752_100000233755 [0,0,0,1,0,0|3,0,0]=4 5642 B14R1.786 COCCN1CCCCC1CC(=O)N 34a_100015184752_100011201679 [0,0,0,1,0,0|3,0,0]=4 5643 B14R1.786 CSCCN1CCCCC1CC(=O)N 2230a_100015184752_100000751147 [0,0,0,1,0,0|3,0,0]=4 5644 B14R1.786 CSCCN1CCCCC1CC(=O)N 269982a_100015184752_100000212216 [0,0,0,1,0,0|3,0,0]=4 5645 B14R1.786 CSCCN1CCCCC1CC(=O)N 34a_100015184752_100000212216 [0,0,0,1,0,0|3,0,0]=4 5646 B14R1.786 NC(=O)CC1CCCCN1CCCF 2230a_100015184752_100011934791 [0,0,0,1,0,0|3,0,0]=4 5647 B14R1.786 NC(=O)CC1CCCCN1CCCF 269982a_100015184752_100011934791 [0,0,0,1,0,0|3,0,0]=4 5648 B14R1.786 NC(=O)CC1CCCCN1CCCF 34a_100015184752_100011934791 [0,0,0,1,0,0|3,0,0]=4 5649 B14R1.786 NC(=O)CC1CCCCN1CCCO 2230a_100015184752_100000230001 [0,0,0,1,0,0|3,0,0]=4 5650 B14R1.786 NC(=O)CC1CCCCN1CCCO 269982a_100015184752_100011215043 [0,0,0,1,0,0|3,0,0]=4 5651 B14R1.786 NC(=O)CC1CCCCN1CCCO 34a_100015184752_100000230001 [0,0,0,1,0,0|3,0,0]=4 5652 B14R1.786 NC(=O)CN1CCCCC1CCCO 2230a_100011934581_100000747473 [0,0,0,1,0,0|3,0,0]=4 5653 B14R1.786 NC(=O)CN1CCCCC1CCCO 269982a_100011934581_100000187820 [0,0,0,1,0,0|3,0,0]=4 5654 B14R1.786 NC(=O)CN1CCCCC1CCCO 34a_100011934581_100000187820 [0,0,0,1,0,0|3,0,0]=4 5655 B14R1.786 O=C([O-])CN1CCCCC1CCCO 269982a_100011934581_100020667443 [0,0,0,1,0,0|3,0,0]=4 5656 B14R1.786 O=C([O-])CN1CCCCC1CCCO 34a_100011934581_100020667443 [0,0,0,1,0,0|3,0,0]=4 5657 B14R1.903 CCCCCN1CCCCC1C(=O)N 2230a_100000181395_100000210326 [0,0,0,1,0,0|2,0,0]=3 5658 B14R1.903 CCCCCN1CCCCC1C(=O)N 269982a_100000181395_100000210215 [0,0,0,1,0,0|2,0,0]=3 5659 B14R1.903 CCCCCN1CCCCC1C(=O)N 34a_100000181395_100000718602 [0,0,0,1,0,0|2,0,0]=3 5660 B14R1.903 CCCCCN1CCCC[C@@H]1C(=O)O 269956a_100000763471_100000210326 [0,0,0,1,0,0|2,0,0]=3 5661 B14R1.903 CCCCCN1CCOC[C@@H]1C(=O)O 269956a_100016993156_100000210326 [0,0,0,1,0,0|3,0,0]=4 5662 B14R1.903 CCCCCN1CCSCC1C(=O)O 269956a_100011346106_100000210326 [0,0,0,1,0,0|3,0,0]=4 5663 B14R1.903 CCCCCN1CSCCC1C(=O)O 269956a_100015185162_100000210326 [0,0,0,1,0,0|3,0,0]=4 5664 B14R1.903 CCCCN[C@@H]1CCCC[C@H]1C(=O)O 269956a_100009816435_100000210211 [0,0,0,1,0,0|2,0,0]=3 5665 B14R1.903 CCOCCN1CCCCC1C(=O)N 2230a_100000181395_100011215890 [0,0,0,1,0,0|3,0,0]=4 5666 B14R1.903 CCOCCN1CCCCC1C(=O)N 269982a_100000181395_100011215890 [0,0,0,1,0,0|3,0,0]=4 5667 B14R1.903 CCOCCN1CCCCC1C(=O)N 34a_100000181395_100000210147 [0,0,0,1,0,0|3,0,0]=4 5668 B14R1.903 CCOCCN1CCCC[C@@H]1C(=O)O 269956a_100000763471_100000210147 [0,0,0,1,0,0|3,0,0]=4 5669 B14R1.903 CCOCN[C@@H]1CCCC[C@H]1C(=O)O 269956a_100009816435_100000739092 [0,0,0,1,0,0|3,0,0]=4 5670 B14R1.903 CCSCCN1CCCCC1C(=O)N 2230a_100000181395_100000757381 [0,0,0,1,0,0|3,0,0]=4 5671 B14R1.903 CCSCCN1CCCCC1C(=O)N 269982a_100000181395_100000757381 [0,0,0,1,0,0|3,0,0]=4 5672 B14R1.903 CCSCCN1CCCCC1C(=O)N 34a_100000181395_100000757381 [0,0,0,1,0,0|3,0,0]=4 5673 B14R1.903 CCSCCN1CCCC[C@@H]1C(=O)O 269956a_100000763471_100000757381 [0,0,0,1,0,0|3,0,0]=4 5674 B14R1.903 COCCCC1CCCCN1C(=O)C 11a_100011804088_100015343762 [0,0,0,1,0,0|3,0,0]=4 5675 B14R1.903 COCCCC1CCCCN1C(=O)C 1626a_100011804088_100015343762 [0,0,0,1,0,0|3,0,0]=4 5676 B14R1.903 COCCCC1CCCCN1C(=O)C 240690a_100011804088_100015343762 [0,0,0,1,0,0|3,0,0]=4 5677 B14R1.903 COCCCC1CCCCN1C(=O)C 527a_100011804088_100103153847 [0,0,0,1,0,0|3,0,0]=4 5678 B14R1.903 COCCCN1CCCCC1C(=O)N 2230a_100000181395_100000740836 [0,0,0,1,0,0|3,0,0]=4 5679 B14R1.903 COCCCN1CCCCC1C(=O)N 269982a_100000181395_100000740836 [0,0,0,1,0,0|3,0,0]=4 5680 B14R1.903 COCCCN1CCCCC1C(=O)N 34a_100000181395_100000740836 [0,0,0,1,0,0|3,0,0]=4 5681 B14R1.903 COCCCN1CCCC[C@@H]1C(=O)O 269956a_100000763471_100000740836 [0,0,0,1,0,0|3,0,0]=4 5682 B14R1.903 COCCN[C@@H]1CCCC[C@H]1C(=O)O 269956a_100009816435_100000233755 [0,0,0,1,0,0|3,0,0]=4 5683 B14R1.903 CSCCN[C@@H]1CCCC[C@H]1C(=O)O 269956a_100009816435_100000212216 [0,0,0,1,0,0|3,0,0]=4 5684 B14R1.903 NC(=O)C1CCCCN1CCCCF 2230a_100000181395_100000729493 [0,0,0,1,0,0|3,0,0]=4 5685 B14R1.903 NC(=O)C1CCCCN1CCCCF 269982a_100000181395_100000729493 [0,0,0,1,0,0|3,0,0]=4 5686 B14R1.903 NC(=O)C1CCCCN1CCCCF 34a_100000181395_100000729493 [0,0,0,1,0,0|3,0,0]=4 5687 B14R1.903 NC(=O)C1CCCCN1CCCCO 2230a_100000181395_100000210776 [0,0,0,1,0,0|3,0,0]=4 5688 B14R1.903 NC(=O)C1CCCCN1CCCCO 269982a_100000181395_100000210776 [0,0,0,1,0,0|3,0,0]=4 5689 B14R1.903 NC(=O)C1CCCCN1CCCCO 34a_100000181395_100011216708 [0,0,0,1,0,0|3,0,0]=4 5690 B14R1.903 O=C(O)[C@@H]1CCCC[C@H]1NCCCF 269956a_100009816435_100011934791 [0,0,0,1,0,0|3,0,0]=4 5691 B14R1.903 O=C(O)[C@@H]1CCCC[C@H]1NCCCO 269956a_100009816435_100011215043 [0,0,0,1,0,0|3,0,0]=4 5692 B14R1.903 O=C(O)[C@H]1CCCCN1CCCCF 269956a_100000763471_100000729493 [0,0,0,1,0,0|3,0,0]=4 5693 B14R1.903 O=C(O)[C@H]1CCCCN1CCCCO 269956a_100000763471_100000210776 [0,0,0,1,0,0|3,0,0]=4 5694 B14R1.1252 CCCCCCN1CCCNC(=O)C1 2230a_100015190381_100000210314 [0,0,0,1,0,0|3,0,0]=4 5695 B14R1.1454 C=C(C)CCNC1CCCCCCC1 2230a_100000211152_100000730704 [0,0,0,1,0,0|3,0,0]=4 5696 B14R1.1454 C=C(C)CCNC1CCCCCCC1 34a_100000211152_100000730704 [0,0,0,1,0,0|3,0,0]=4 5697 B14R1.1454 C=C(C)CCOC1CCCCCCC1 34a_100000210054_100000730704 [0,0,0,1,0,0|3,0,0]=4 5698 B14R1.1454 C=C(C)CCOC1CCCCCCC1 7a_100000210054_100000730704 [0,0,0,1,0,0|3,0,0]=4 5699 B14R1.1454 C=C(C)COCC1CCCCCCC1 34a_100011216312_100000748629 [0,0,0,1,0,0|3,0,0]=4 5700 B14R1.1454 C=C(C)COCC1CCCCCCC1 7a_100011216312_100000748629 [0,0,0,1,0,0|3,0,0]=4 5701 B14R1.1454 C=C(F)COCC1CCCCCCC1 34a_100011216312_100009893438 [0,0,0,1,0,0|2,1,0]=4 5702 B14R1.1454 C=C(F)COCC1CCCCCCC1 7a_100011216312_100000042424 [0,0,0,1,0,0|2,1,0]=4 5703 B14R1.1454 CC(=O)CCCN1CCCCCCC1 269982a_100000211400_100011215641 [0,0,0,1,0,0|2,0,0]=3 5704 B14R1.1454 CC(=O)CCCN1CCCCCCC1 34a_100000211400_100000685027 [0,0,0,1,0,0|2,0,0]=3 5705 B14R1.1454 CC(=O)CCOC1CCCCCCC1 7a_100000210054_100000053229 [0,0,0,1,0,0|2,0,0]=3 5706 B14R1.1454 CC(=O)NCCC1CCCCCCC1 11a_100011532352_100015343762 [0,0,0,1,0,0|2,0,0]=3 5707 B14R1.1454 CC(=O)NCCC1CCCCCCC1 1626a_100011532352_100015343762 [0,0,0,1,0,0|2,0,0]=3 5708 B14R1.1454 CC(=O)NCCC1CCCCCCC1 240690a_100011532352_100015343762 [0,0,0,1,0,0|2,0,0]=3 5709 B14R1.1454 CC(=O)NCCC1CCCCCCC1 527a_100011532352_100103153847 [0,0,0,1,0,0|2,0,0]=3 5710 B14R1.1454 CC(=O)NCCN1CCCCCCC1 2230a_100000211400_100000189650 [0,0,0,1,0,0|3,0,0]=4 5711 B14R1.1454 CC(=O)NCCN1CCCCCCC1 269982a_100000211400_100000189650 [0,0,0,1,0,0|3,0,0]=4 5712 B14R1.1454 CC(=O)OCCN1CCCCCCC1 269982a_100000211400_100009814007 [0,0,0,1,0,0|3,0,0]=4 5713 B14R1.1454 CC(=O)OCCN1CCCCCCC1 34a_100000211400_100009814007 [0,0,0,1,0,0|3,0,0]=4 5714 B14R1.1454 CC(=O)OCNC1CCCCCCC1 34a_100000211152_100009813279 [0,0,0,1,0,0|3,0,0]=4 5715 B14R1.1454 CC(=O)OCOC1CCCCCCC1 34a_100000210054_100009813279 [0,0,0,1,0,0|3,0,0]=4 5716 B14R1.1454 NC(=O)CCCN1CCCCCCC1 269982a_100000211400_100102525003 [0,0,0,1,0,0|2,0,0]=3 5717 B14R1.1454 NC(=O)CCCN1CCCCCCC1 34a_100000211400_100102525003 [0,0,0,1,0,0|2,0,0]=3 5718 B14R1.1454 NC(=O)CCNC1CCCCCCC1 2230a_100000211152_100000744528 [0,0,0,1,0,0|2,0,0]=3 5719 B14R1.1454 NC(=O)CCNC1CCCCCCC1 34a_100000211152_100000731001 [0,0,0,1,0,0|2,0,0]=3 5720 B14R1.1454 NC(=O)CCOC1CCCCCCC1 34a_100000210054_100000731001 [0,0,0,1,0,0|2,0,0]=3 5721 B14R1.1454 NC(=O)CCOC1CCCCCCC1 7a_100000210054_100000744528 [0,0,0,1,0,0|2,0,0]=3 5722 B14R1.1454 NC(=O)COCC1CCCCCCC1 34a_100011216312_100000187820 [0,0,0,1,0,0|2,0,0]=3 5723 B14R1.1454 NC(=O)COCC1CCCCCCC1 7a_100011216312_100000187820 [0,0,0,1,0,0|2,0,0]=3 5724 B14R1.1454 NC(=O)NCCN1CCCCCCC1 2230a_100000211400_200000034859 [0,0,0,1,0,0|3,0,0]=4 5725 B14R1.1454 NC(=O)NCCN1CCCCCCC1 269982a_100000211400_200000034859 [0,0,0,1,0,0|3,0,0]=4 5726 B14R1.1454 NC(=O)OCCN1CCCCCCC1 269982a_100000211400_200011214921 [0,0,0,1,0,0|3,0,0]=4 5727 B14R1.1454 NC(=O)OCCN1CCCCCCC1 34a_100000211400_200011214921 [0,0,0,1,0,0|3,0,0]=4 5728 B14R1.1454 O=C([O-])COCC1CCCCCCC1 34a_100011216312_100020667443 [0,0,0,1,0,0|2,0,0]=3 5729 B14R1.1454 O=[N+]([O-])COCC1CCCCCCC1 34a_100011216312_100000761209 [0,0,0,1,0,0|3,0,0]=4 5730 B14R1.3447 CCCCCCCN1CCC1C(=O)O 269956a_100000021838_100000210614 [0,0,0,1,0,0|2,0,0]=3 5731 B14R1.3447 CCCCOCCN1CCC1C(=O)O 269956a_100000021838_100000743108 [0,0,0,1,0,0|3,0,0]=4 5732 B14R1.3447 O=C(O)C1CCN1CCCCCCF 269956a_100000021838_100015922095 [0,0,0,1,0,0|3,0,0]=4 5733 B14R1.3447 O=C(O)C1CCN1CCCCCCO 269956a_100000021838_100000766143 [0,0,0,1,0,0|3,0,0]=4 5734 B14R1.4521 CC(=O)CCCCOCCC1COC1 34a_100009855314_100009817362 [0,0,0,1,0,0|3,0,0]=4 5735 B14R1.4521 CC(=O)NCCCCCNC1CCC1 270004a_200012022750_100000241760 [0,0,0,1,0,0|3,0,0]=4 5736 B14R1.4521 CC(=O)NCCCCCNC1CCC1 34a_200012022750_100000749161 [0,0,0,1,0,0|3,0,0]=4 5737 B14R1.4521 CC(=O)NCCCCNCC1CCC1 2230a_200011368371_100000763275 [0,0,0,1,0,0|3,0,0]=4 5738 B14R1.4521 CC(=O)NCCCCNCC1CCC1 269862a_200011368371_100000753134 [0,0,0,1,0,0|3,0,0]=4 5739 B14R1.4521 CC(=O)NCCCCNCC1CCC1 34a_200011368371_100000763275 [0,0,0,1,0,0|3,0,0]=4 5740 B14R1.4521 CC(=O)OCCCCCNC1CCC1 2230a_100000749019_100009813381 [0,0,0,1,0,0|3,0,0]=4 5741 B14R1.4521 CC(=O)OCCCCCNC1CCC1 34a_100000749019_100000033007 [0,0,0,1,0,0|3,0,0]=4 5742 B14R1.4521 CC(=O)OCCCCCOC1CCC1 34a_100000748187_100000033007 [0,0,0,1,0,0|3,0,0]=4 5743 B14R1.4521 CC(=O)OCCCCCSC1CCC1 62a_100000033007_100000749161 [0,0,0,1,0,0|3,0,0]=4 5744 B14R1.4521 CC(=O)OCCCCNCC1CCC1 34a_100000738700_100000033659 [0,0,0,1,0,0|3,0,0]=4 5745 B14R1.4521 CC(=O)OCCCCOCC1CCC1 34a_100000073216_100000763275 [0,0,0,1,0,0|3,0,0]=4 5746 B14R1.4521 CC(=O)OCCCCOCC1CCC1 34a_100000760304_100000033659 [0,0,0,1,0,0|3,0,0]=4 5747 B14R1.4521 CC(=O)OCCCCOCC1CCC1 7a_100000073216_100000763275 [0,0,0,1,0,0|3,0,0]=4 5748 B14R1.4521 CC(=O)OCCCCSCC1CCC1 62a_100000033659_100000763275 [0,0,0,1,0,0|3,0,0]=4 5749 B14R1.4521 CC(=O)OCCCCSCC1CCC1 62a_100000763275_100000033659 [0,0,0,1,0,0|3,0,0]=4 5750 B14R1.4521 CC(=O)SCCCCNCC1CCC1 2230a_100000738700_200010402107 [0,0,0,1,0,0|3,0,0]=4 5751 B14R1.4521 CC(=O)SCCCCNCC1CCC1 34a_100000738700_200010402107 [0,0,0,1,0,0|3,0,0]=4 5752 B14R1.4521 CC(=O)SCCCCOCC1CCC1 34a_100000760304_200010402107 [0,0,0,1,0,0|3,0,0]=4 5753 B14R1.4521 CC(=O)SCCCCSCC1CCC1 62a_100000763275_200010402107 [0,0,0,1,0,0|3,0,0]=4 5754 B14R1.4521 CC(=O)SCCCCSCC1CCC1 62a_200010402107_100000763275 [0,0,0,1,0,0|3,0,0]=4 5755 B14R1.4521 NC(=O)CCCCCNCC1CCC1 2230a_100000738700_100009817443 [0,0,0,1,0,0|2,0,0]=3 5756 B14R1.4521 NC(=O)CCCCCNCC1CCC1 34a_100000738700_100009817443 [0,0,0,1,0,0|2,0,0]=3 5757 B14R1.4521 NC(=O)CCCCCNCC1COC1 2230a_100015281925_100009817443 [0,0,0,1,0,0|3,0,0]=4 5758 B14R1.4521 NC(=O)CCCCCNCC1COC1 34a_100015281925_100009817443 [0,0,0,1,0,0|3,0,0]=4 5759 B14R1.4521 NC(=O)CCCCCNC[C@@H]1CCO1 2230a_100020831831_100009817443 [0,0,0,1,0,0|3,0,0]=4 5760 B14R1.4521 NC(=O)CCCCCNC[C@@H]1CCO1 34a_100020831831_100009817443 [0,0,0,1,0,0|3,0,0]=4 5761 B14R1.4521 NC(=O)CCCCCOCC1CCC1 34a_100000123541_100000763275 [0,0,0,1,0,0|2,0,0]=3 5762 B14R1.4521 NC(=O)CCCCCOCC1CCC1 34a_100000760304_100009817443 [0,0,0,1,0,0|2,0,0]=3 5763 B14R1.4521 NC(=O)CCCCCOCC1CCC1 7a_100000123541_100000763275 [0,0,0,1,0,0|2,0,0]=3 5764 B14R1.4521 NC(=O)CCCCCOCC1CCO1 34a_100000039022_100009817443 [0,0,0,1,0,0|3,0,0]=4 5765 B14R1.4521 NC(=O)CCCCCOCC1CCO1 34a_100000123541_100000103362 [0,0,0,1,0,0|3,0,0]=4 5766 B14R1.4521 NC(=O)CCCCCOCC1CCO1 7a_100000123541_100000103362 [0,0,0,1,0,0|3,0,0]=4 5767 B14R1.4521 NC(=O)CCCCCOCC1CNC1 34a_100016987283_100009817443 [0,0,0,1,0,0|3,0,0]=4 5768 B14R1.4521 NC(=O)CCCCCOCC1COC1 34a_100000060846_100009817443 [0,0,0,1,0,0|3,0,0]=4 5769 B14R1.4521 NC(=O)CCCCCOCC1COC1 34a_100000123541_100010264016 [0,0,0,1,0,0|3,0,0]=4 5770 B14R1.4521 NC(=O)CCCCCOCC1COC1 7a_100000123541_100010264016 [0,0,0,1,0,0|3,0,0]=4 5771 B14R1.4521 NC(=O)CCCCCSCC1CCC1 62a_100000763275_100009817443 [0,0,0,1,0,0|2,0,0]=3 5772 B14R1.4521 NC(=O)CCCCCSCC1CCC1 62a_100009817443_100000763275 [0,0,0,1,0,0|2,0,0]=3 5773 B14R1.4521 NC(=O)CCCCCSCC1CCO1 62a_100000103362_100009817443 [0,0,0,1,0,0|3,0,0]=4 5774 B14R1.4521 NC(=O)CCCCCSCC1CCO1 62a_100009817443_100000103362 [0,0,0,1,0,0|3,0,0]=4 5775 B14R1.4521 NC(=O)CCCCCSCC1COC1 62a_100009817443_100010264016 [0,0,0,1,0,0|3,0,0]=4 5776 B14R1.4521 NC(=O)CCCCCSCC1COC1 62a_100010264016_100009817443 [0,0,0,1,0,0|3,0,0]=4 5777 B14R1.4521 O=C([O-])CCCCCOCC1CCC1 7a_100102619762_100000763275 [0,0,0,1,0,0|2,0,0]=3 5778 B14R1.4521 O=C([O-])CCCCCOCC1CCO1 7a_100102619762_100000103362 [0,0,0,1,0,0|3,0,0]=4 5779 B14R1.4521 O=C([O-])CCCCCOCC1COC1 7a_100102619762_100010264016 [0,0,0,1,0,0|3,0,0]=4 5780 B14R1.5254 CCN[C@@H]1CCCCCC[C@@H]1C(=O)O 269956a_200049070474_100000210202 [0,0,0,1,0,0|2,0,0]=3 5781 B14R1.5254 O=C(O)[C@H]1CCCCCC[C@H]1NCF 269956a_200049070474_100015361967 [0,0,0,1,0,0|3,0,0]=4 5782 B14R1.6335 C=C(C)CCN1CCCCCCCC1 2230a_100000039187_100000730704 [0,0,0,1,0,0|3,0,0]=4 5783 B14R1.6335 C=C(C)CCN1CCCCCCCC1 269982a_100000039187_100000730704 [0,0,0,1,0,0|3,0,0]=4 5784 B14R1.6335 C=C(C)CCN1CCCCCCCC1 34a_100000039187_100000730704 [0,0,0,1,0,0|3,0,0]=4 5785 B14R1.6335 CC(=O)CCN1CCCCCCCC1 269982a_100000039187_100000053229 [0,0,0,1,0,0|2,0,0]=3 5786 B14R1.6335 CC(=O)OCN1CCCCCCCC1 269982a_100000039187_100000076356 [0,0,0,1,0,0|3,0,0]=4 5787 B14R1.6335 CC(=O)OCN1CCCCCCCC1 34a_100000039187_100009813279 [0,0,0,1,0,0|3,0,0]=4 5788 B14R1.6335 NC(=O)CCN1CCCCCCCC1 2230a_100000039187_100000744528 [0,0,0,1,0,0|2,0,0]=3 5789 B14R1.6335 NC(=O)CCN1CCCCCCCC1 269982a_100000039187_100000744528 [0,0,0,1,0,0|2,0,0]=3 5790 B14R1.6335 NC(=O)CCN1CCCCCCCC1 34a_100000039187_100000731001 [0,0,0,1,0,0|2,0,0]=3 5791 B14R1.6343 C=C(Br)CCOCC1CCCCCC1 34a_100009813270_200000696569 [0,0,0,1,0,0|2,1,0]=4 5792 B14R1.6343 C=C(C)CCNCC1CCCCCC1 2230a_100015204231_100000730704 [0,0,0,1,0,0|3,0,0]=4 5793 B14R1.6343 C=C(C)CCNCC1CCCCCC1 34a_100015204231_100000730704 [0,0,0,1,0,0|3,0,0]=4 5794 B14R1.6343 C=C(C)CCOCC1CCCCCC1 34a_100000699130_100000730704 [0,0,0,1,0,0|3,0,0]=4 5795 B14R1.6343 C=C(C)CCOCC1CCCCCC1 34a_100000764851_200000696569 [0,0,0,1,0,0|3,0,0]=4 5796 B14R1.6343 C=C(C)CCOCC1CCCCCC1 7a_100000699130_100000730704 [0,0,0,1,0,0|3,0,0]=4 5797 B14R1.6343 C=C(C)CCSCC1CCCCCC1 62a_100000730704_200000696569 [0,0,0,1,0,0|3,0,0]=4 5798 B14R1.6343 C=C(C)CCSCC1CCCCCC1 62a_200000696569_100000730704 [0,0,0,1,0,0|3,0,0]=4 5799 B14R1.6343 C=C(C)CNCCC1CCCCCC1 2230a_100011532351_100000748629 [0,0,0,1,0,0|3,0,0]=4 5800 B14R1.6343 C=C(C)CNCCC1CCCCCC1 34a_100011532351_100000748629 [0,0,0,1,0,0|3,0,0]=4 5801 B14R1.6343 C=C(F)CNCCC1CCCCCC1 2230a_100011532351_100009893438 [0,0,0,1,0,0|2,1,0]=4 5802 B14R1.6343 C=C(F)CNCCC1CCCCCC1 34a_100011532351_100009893438 [0,0,0,1,0,0|2,1,0]=4 5803 B14R1.6343 CC(=O)CCCCN1CCCCCC1 269982a_100000185865_100000735457 [0,0,0,1,0,0|2,0,0]=3 5804 B14R1.6343 CC(=O)CCCCN1CCCCCC1 34a_100000185865_100009817362 [0,0,0,1,0,0|2,0,0]=3 5805 B14R1.6343 CC(=O)CCCCN1CCCOCC1 269982a_100000685342_100000735457 [0,0,0,1,0,0|3,0,0]=4 5806 B14R1.6343 CC(=O)CCCCN1CCCOCC1 34a_100000685342_100009817362 [0,0,0,1,0,0|3,0,0]=4 5807 B14R1.6343 CC(=O)CCCNC1CCCCCC1 34a_100000210984_100000685027 [0,0,0,1,0,0|2,0,0]=3 5808 B14R1.6343 CC(=O)CCCOC1CCCCCC1 34a_100000210887_100000685027 [0,0,0,1,0,0|2,0,0]=3 5809 B14R1.6343 CC(=O)CCCOC1CCCCCC1 34a_100000759063_100011217769 [0,0,0,1,0,0|2,0,0]=3 5810 B14R1.6343 CC(=O)CCCOC1CCCCCC1 7a_100000210887_100011215641 [0,0,0,1,0,0|2,0,0]=3 5811 B14R1.6343 CC(=O)CCCSC1CCCCCC1 62a_100011215641_100011217769 [0,0,0,1,0,0|2,0,0]=3 5812 B14R1.6343 CC(=O)CCCSC1CCCCCC1 62a_100011217769_100011215641 [0,0,0,1,0,0|2,0,0]=3 5813 B14R1.6343 CC(=O)CCOCC1CCCCCC1 34a_100000759926_200000696569 [0,0,0,1,0,0|2,0,0]=3 5814 B14R1.6343 CC(=O)CCOCC1CCCCCC1 7a_100000699130_100000053229 [0,0,0,1,0,0|2,0,0]=3 5815 B14R1.6343 CC(=O)CCOCC1CCCCCC1 7a_100000759926_200000696569 [0,0,0,1,0,0|2,0,0]=3 5816 B14R1.6343 CC(=O)CCSCC1CCCCCC1 62a_100000053229_200000696569 [0,0,0,1,0,0|2,0,0]=3 5817 B14R1.6343 CC(=O)CCSCC1CCCCCC1 62a_200000696569_100000053229 [0,0,0,1,0,0|2,0,0]=3 5818 B14R1.6343 CC(=O)NCCCN1CCCCCC1 11a_100000181460_100015343762 [0,0,0,1,0,0|3,0,0]=4 5819 B14R1.6343 CC(=O)NCCCN1CCCCCC1 240690a_100000181460_100015343762 [0,0,0,1,0,0|3,0,0]=4 5820 B14R1.6343 CC(=O)NCCCN1CCCCCC1 527a_100000181460_100103153847 [0,0,0,1,0,0|3,0,0]=4 5821 B14R1.6343 CC(=O)NCCNC1CCCCCC1 2230a_100000210984_100000189650 [0,0,0,1,0,0|3,0,0]=4 5822 B14R1.6343 CC(=O)NCCOC1CCCCCC1 34a_100000158858_100011217769 [0,0,0,1,0,0|3,0,0]=4 5823 B14R1.6343 CC(=O)NCCOC1CCCCCC1 7a_100000210887_100000189650 [0,0,0,1,0,0|3,0,0]=4 5824 B14R1.6343 CC(=O)NCCSC1CCCCCC1 62a_100000189650_100011217769 [0,0,0,1,0,0|3,0,0]=4 5825 B14R1.6343 CC(=O)NCCSC1CCCCCC1 62a_100011217769_100000189650 [0,0,0,1,0,0|3,0,0]=4 5826 B14R1.6343 CC(=O)OCCCN1CCCCCC1 269982a_100000185865_100000042594 [0,0,0,1,0,0|3,0,0]=4 5827 B14R1.6343 CC(=O)OCCCN1CCCCCC1 34a_100000185865_100000042594 [0,0,0,1,0,0|3,0,0]=4 5828 B14R1.6343 CC(=O)OCCNC1CCCCCC1 34a_100000210984_100009814007 [0,0,0,1,0,0|3,0,0]=4 5829 B14R1.6343 CC(=O)OCCOC1CCCCCC1 34a_100000210887_100009814007 [0,0,0,1,0,0|3,0,0]=4 5830 B14R1.6343 CC(=O)OCCOC1CCCCCC1 7a_100000210887_100009814007 [0,0,0,1,0,0|3,0,0]=4 5831 B14R1.6343 CC(=O)OCCSC1CCCCCC1 62a_100009814007_100011217769 [0,0,0,1,0,0|3,0,0]=4 5832 B14R1.6343 CC(=O)OCCSC1CCCCCC1 62a_100011217769_100009814007 [0,0,0,1,0,0|3,0,0]=4 5833 B14R1.6343 CC(=O)OCNCC1CCCCCC1 34a_100015204231_100009813279 [0,0,0,1,0,0|3,0,0]=4 5834 B14R1.6343 CC(=O)OCOCC1CCCCCC1 34a_100000699130_100009813279 [0,0,0,1,0,0|3,0,0]=4 5835 B14R1.6343 CC(=O)OCSCC1CCCCCC1 62a_100000076356_200000696569 [0,0,0,1,0,0|3,0,0]=4 5836 B14R1.6343 CC(=O)OCSCC1CCCCCC1 62a_200000696569_100000076356 [0,0,0,1,0,0|3,0,0]=4 5837 B14R1.6343 CC(=O)SCCCN1CCCCCC1 2230a_100000185865_100000038929 [0,0,0,1,0,0|3,0,0]=4 5838 B14R1.6343 CC(=O)SCCCN1CCCCCC1 269982a_100000185865_100000038929 [0,0,0,1,0,0|3,0,0]=4 5839 B14R1.6343 CC(=O)SCCCN1CCCCCC1 34a_100000185865_100000038929 [0,0,0,1,0,0|3,0,0]=4 5840 B14R1.6343 CS(=O)CCCNC1CCCCCC1 270004a_200000753449_100000210131 [0,0,0,1,0,0|3,0,0]=4 5841 B14R1.6343 NC(=O)CCCNC1CCCCCC1 34a_100000210984_100102525003 [0,0,0,1,0,0|2,0,0]=3 5842 B14R1.6343 NC(=O)CCCNC1CCCCCC1 34a_100000739312_100011217769 [0,0,0,1,0,0|2,0,0]=3 5843 B14R1.6343 NC(=O)CCCOC1CCCCCC1 34a_100000210887_100102525003 [0,0,0,1,0,0|2,0,0]=3 5844 B14R1.6343 NC(=O)CCCOC1CCCCCC1 7a_100000210887_100102525003 [0,0,0,1,0,0|2,0,0]=3 5845 B14R1.6343 NC(=O)CCCSC1CCCCCC1 62a_100011217769_100102525003 [0,0,0,1,0,0|2,0,0]=3 5846 B14R1.6343 NC(=O)CCCSC1CCCCCC1 62a_100102525003_100011217769 [0,0,0,1,0,0|2,0,0]=3 5847 B14R1.6343 NC(=O)CCNCC1CCCCCC1 2230a_100015204231_100000744528 [0,0,0,1,0,0|2,0,0]=3 5848 B14R1.6343 NC(=O)CCNCC1CCCCCC1 269862a_100000740010_200000763224 [0,0,0,1,0,0|2,0,0]=3 5849 B14R1.6343 NC(=O)CCNCC1CCCCCC1 34a_100015204231_100000731001 [0,0,0,1,0,0|2,0,0]=3 5850 B14R1.6343 NC(=O)CCOCC1CCCCCC1 34a_100000699130_100000731001 [0,0,0,1,0,0|2,0,0]=3 5851 B14R1.6343 NC(=O)CCOCC1CCCCCC1 34a_100000757172_200000696569 [0,0,0,1,0,0|2,0,0]=3 5852 B14R1.6343 NC(=O)CCOCC1CCCCCC1 7a_100000699130_100000744528 [0,0,0,1,0,0|2,0,0]=3 5853 B14R1.6343 NC(=O)CCOCC1CCCCCC1 7a_100000757172_200000696569 [0,0,0,1,0,0|2,0,0]=3 5854 B14R1.6343 NC(=O)CCSCC1CCCCCC1 62a_100000744528_200000696569 [0,0,0,1,0,0|2,0,0]=3 5855 B14R1.6343 NC(=O)CCSCC1CCCCCC1 62a_200000696569_100000744528 [0,0,0,1,0,0|2,0,0]=3 5856 B14R1.6343 NC(=O)CNCCC1CCCCCC1 2230a_100011532351_100000747473 [0,0,0,1,0,0|2,0,0]=3 5857 B14R1.6343 NC(=O)CNCCC1CCCCCC1 34a_100011532351_100000187820 [0,0,0,1,0,0|2,0,0]=3 5858 B14R1.6343 NC(=O)COCCN1CCCCCC1 2230a_100000185865_100000076697 [0,0,0,1,0,0|3,0,0]=4 5859 B14R1.6343 NC(=O)COCCN1CCCCCC1 269982a_100000185865_100000076697 [0,0,0,1,0,0|3,0,0]=4 5860 B14R1.6343 NC(=O)COCCN1CCCCCC1 34a_100000185865_100000076697 [0,0,0,1,0,0|3,0,0]=4 5861 B14R1.6343 NC(=O)COCCN1CCCCCC1 34a_100000238007_100000187820 [0,0,0,1,0,0|3,0,0]=4 5862 B14R1.6343 NC(=O)CSCCN1CCCCCC1 62a_100000722644_100000747473 [0,0,0,1,0,0|3,0,0]=4 5863 B14R1.6343 NC(=O)CSCCN1CCCCCC1 62a_100000747473_100000722644 [0,0,0,1,0,0|3,0,0]=4 5864 B14R1.6343 NC(=O)NCCNC1CCCCCC1 2230a_100000210984_200000034859 [0,0,0,1,0,0|3,0,0]=4 5865 B14R1.6343 NC(=O)NCCNC1CCCCCC1 34a_100020590234_100011217769 [0,0,0,1,0,0|3,0,0]=4 5866 B14R1.6343 NC(=O)NCCOC1CCCCCC1 34a_100000181757_100011217769 [0,0,0,1,0,0|3,0,0]=4 5867 B14R1.6343 NC(=O)NCCOC1CCCCCC1 7a_100000210887_200000034859 [0,0,0,1,0,0|3,0,0]=4 5868 B14R1.6343 NC(=O)NCCSC1CCCCCC1 62a_100011217769_200000034859 [0,0,0,1,0,0|3,0,0]=4 5869 B14R1.6343 NC(=O)NCCSC1CCCCCC1 62a_200000034859_100011217769 [0,0,0,1,0,0|3,0,0]=4 5870 B14R1.6343 NC(=O)OCCNC1CCCCCC1 34a_100000210984_200011214921 [0,0,0,1,0,0|3,0,0]=4 5871 B14R1.6343 NC(=O)OCCOC1CCCCCC1 34a_100000210887_200011214921 [0,0,0,1,0,0|3,0,0]=4 5872 B14R1.6343 NC(=O)OCCOC1CCCCCC1 7a_100000210887_200011214921 [0,0,0,1,0,0|3,0,0]=4 5873 B14R1.6343 NC(=O)OCCSC1CCCCCC1 62a_100011217769_200011214921 [0,0,0,1,0,0|3,0,0]=4 5874 B14R1.6343 NC(=O)OCCSC1CCCCCC1 62a_200011214921_100011217769 [0,0,0,1,0,0|3,0,0]=4 5875 B14R1.6343 O=C(O)CNCCN1CCCCCC1 269956a_100016091260_100000722644 [0,0,0,1,0,0|3,0,0]=4 5876 B14R1.6343 O=C(O)CONCC1CCCCCC1 269956a_100000106656_200000696569 [0,0,0,1,0,0|3,0,0]=4 5877 B14R1.6343 O=C([O-])CNCCC1CCCCCC1 34a_100011532351_100020667443 [0,0,0,1,0,0|2,0,0]=3 5878 B14R1.6343 O=C([O-])COCCN1CCCCCC1 34a_100000238007_100020667443 [0,0,0,1,0,0|3,0,0]=4 5879 B14R1.6343 O=C([O-])CSCCN1CCCCCC1 62a_100000722644_100020667443 [0,0,0,1,0,0|3,0,0]=4 5880 B14R1.6343 O=C([O-])CSCCN1CCCCCC1 62a_100020667443_100000722644 [0,0,0,1,0,0|3,0,0]=4 5881 B14R1.6343 O=[N+]([O-])CCCOC1CCCCCC1 34a_200000037920_100011217769 [0,0,0,1,0,0|3,0,0]=4 5882 B14R1.6343 O=[N+]([O-])CNCCC1CCCCCC1 34a_100011532351_100000761209 [0,0,0,1,0,0|3,0,0]=4 5883 B14R1.6388 CC(=O)CCCCOCCNC1CC1 34a_100000738766_100009817362 [0,0,0,1,0,0|3,0,0]=4 5884 B14R1.6388 CC(=O)CCCCSCCCC1CO1 62a_100000733510_100000735457 [0,0,0,1,0,0|3,0,0]=4 5885 B14R1.6388 CC(=O)CCCCSCCCC1CO1 62a_100000735457_100000733510 [0,0,0,1,0,0|3,0,0]=4 5886 B14R1.6388 CC(=O)NCCCCCCNC1CC1 34a_200011996284_100000211595 [0,0,0,1,0,0|3,0,0]=4 5887 B14R1.6388 CC(=O)NCCCCCNCC1CC1 2230a_200012022750_100000742324 [0,0,0,1,0,0|3,0,0]=4 5888 B14R1.6388 CC(=O)NCCCCCNCC1CC1 269862a_200012022750_100000741477 [0,0,0,1,0,0|3,0,0]=4 5889 B14R1.6388 CC(=O)NCCCCCNCC1CC1 34a_200012022750_100000742324 [0,0,0,1,0,0|3,0,0]=4 5890 B14R1.6388 CC(=O)NCCCCNCCC1CC1 2230a_200011368371_100000694398 [0,0,0,1,0,0|3,0,0]=4 5891 B14R1.6388 CC(=O)NCCCCNCCC1CC1 34a_200011368371_100000694398 [0,0,0,1,0,0|3,0,0]=4 5892 B14R1.6388 CC(=O)OCCCCCNCC1CC1 2230a_100000735609_100009813381 [0,0,0,1,0,0|3,0,0]=4 5893 B14R1.6388 CC(=O)OCCCCCNCC1CC1 34a_100000735609_100000033007 [0,0,0,1,0,0|3,0,0]=4 5894 B14R1.6388 CC(=O)OCCCCCOCC1CC1 34a_100000211283_100000033007 [0,0,0,1,0,0|3,0,0]=4 5895 B14R1.6388 CC(=O)OCCCCCSCC1CC1 62a_100000033007_100000742324 [0,0,0,1,0,0|3,0,0]=4 5896 B14R1.6388 CC(=O)OCCCCCSCC1CC1 62a_100000756562_100000033007 [0,0,0,1,0,0|3,0,0]=4 5897 B14R1.6388 CC(=O)OCCCCNCCC1CC1 34a_100000764129_100000033659 [0,0,0,1,0,0|3,0,0]=4 5898 B14R1.6388 CC(=O)OCCCCOCCC1CC1 34a_100000073216_100000694398 [0,0,0,1,0,0|3,0,0]=4 5899 B14R1.6388 CC(=O)OCCCCOCCC1CC1 34a_100000754188_100000033659 [0,0,0,1,0,0|3,0,0]=4 5900 B14R1.6388 CC(=O)OCCCCOCCC1CC1 7a_100000073216_100000764125 [0,0,0,1,0,0|3,0,0]=4 5901 B14R1.6388 CC(=O)OCCCCOCCC1CC1 7a_100000754188_100000033659 [0,0,0,1,0,0|3,0,0]=4 5902 B14R1.6388 CC(=O)OCCCCSCCC1CC1 62a_100000033659_100000764125 [0,0,0,1,0,0|3,0,0]=4 5903 B14R1.6388 CC(=O)OCCCCSCCC1CC1 62a_100000764125_100000033659 [0,0,0,1,0,0|3,0,0]=4 5904 B14R1.6388 CC(=O)SCCCCNCCC1CC1 34a_100000764129_200010402107 [0,0,0,1,0,0|3,0,0]=4 5905 B14R1.6388 CC(=O)SCCCCOCCC1CC1 34a_100000754188_200010402107 [0,0,0,1,0,0|3,0,0]=4 5906 B14R1.6388 CC(=O)SCCCCOCCC1CC1 7a_100000754188_200010402107 [0,0,0,1,0,0|3,0,0]=4 5907 B14R1.6388 CC(=O)SCCCCSCCC1CC1 62a_100000764125_200010402107 [0,0,0,1,0,0|3,0,0]=4 5908 B14R1.6388 CC(=O)SCCCCSCCC1CC1 62a_200010402107_100000764125 [0,0,0,1,0,0|3,0,0]=4 5909 B14R1.6388 NC(=O)CCCCCNCCC1CC1 34a_100000764129_100009817443 [0,0,0,1,0,0|2,0,0]=3 5910 B14R1.6388 NC(=O)CCCCCOCCC1CC1 34a_100000123541_100000694398 [0,0,0,1,0,0|2,0,0]=3 5911 B14R1.6388 NC(=O)CCCCCOCCC1CC1 34a_100000754188_100009817443 [0,0,0,1,0,0|2,0,0]=3 5912 B14R1.6388 NC(=O)CCCCCOCCC1CC1 7a_100000123541_100000764125 [0,0,0,1,0,0|2,0,0]=3 5913 B14R1.6388 NC(=O)CCCCCOCCC1CC1 7a_100000754188_100009817443 [0,0,0,1,0,0|2,0,0]=3 5914 B14R1.6388 NC(=O)CCCCCOCCC1CO1 34a_100000123541_100000732470 [0,0,0,1,0,0|3,0,0]=4 5915 B14R1.6388 NC(=O)CCCCCOCCC1CO1 7a_100000123541_100000732470 [0,0,0,1,0,0|3,0,0]=4 5916 B14R1.6388 NC(=O)CCCCCOCC[C@@H]1CO1 34a_100009820653_100009817443 [0,0,0,1,0,0|3,0,0]=4 5917 B14R1.6388 NC(=O)CCCCCSCCC1CC1 62a_100000764125_100009817443 [0,0,0,1,0,0|2,0,0]=3 5918 B14R1.6388 NC(=O)CCCCCSCCC1CC1 62a_100009817443_100000764125 [0,0,0,1,0,0|2,0,0]=3 5919 B14R1.6388 NC(=O)CCCCCSCCC1CO1 62a_100000732470_100009817443 [0,0,0,1,0,0|3,0,0]=4 5920 B14R1.6388 NC(=O)CCCCCSCCC1CO1 62a_100009817443_100000732470 [0,0,0,1,0,0|3,0,0]=4 5921 B14R1.6388 NC(=O)CCCCNCCCC1CO1 34a_100000696515_100000733510 [0,0,0,1,0,0|3,0,0]=4 5922 B14R1.6388 NC(=O)CCCCOCCCC1CO1 34a_100012022536_100000733510 [0,0,0,1,0,0|3,0,0]=4 5923 B14R1.6388 NC(=O)CCCCOCCCC1CO1 7a_100012022536_100000733510 [0,0,0,1,0,0|3,0,0]=4 5924 B14R1.6388 O=C([O-])CCCCCOCCC1CC1 7a_100102619762_100000764125 [0,0,0,1,0,0|2,0,0]=3 5925 B14R1.6388 O=C([O-])CCCCCOCCC1CO1 7a_100102619762_100000732470 [0,0,0,1,0,0|3,0,0]=4 5926 B11R0.3 C=CCCCCCCCCNC 2230a_106832991635_100011933949 [2,0,0,0,0,0|1,0,1]=4 5927 B11R0.3 C=CCCCCCCCCNC 34a_100102657272_100011933949 [2,0,0,0,0,0|1,0,1]=4 5928 B11R0.3 C=CCCCCCCCCNC 7a_106832991635_100011933949 [2,0,0,0,0,0|1,0,1]=4 5929 B11R0.3 C=CCCCCCCCCOC 34a_100011215194_200000210301 [2,0,0,0,0,0|1,0,1]=4 5930 B11R0.3 C=CCCCCCCCCOC 34a_100138415774_100011933949 [2,0,0,0,0,0|1,0,1]=4 5931 B11R0.3 C=CCCCCCCCCOC 7a_100011215194_200000210301 [2,0,0,0,0,0|1,0,1]=4 5932 B11R0.3 C=CCCCCCCCCO[13CH3] 34a_100011215194_200025704644 [2,0,0,0,0,0|1,0,1]=4 5933 B11R0.3 C=CCCCCCCCCO[13CH3] 7a_100011215194_200025704644 [2,0,0,0,0,0|1,0,1]=4 5934 B11R0.3 C=CCCCCCCCCSC 62a_100011933949_200000210301 [2,0,0,0,0,0|1,0,1]=4 5935 B11R0.3 C=CCCCCCCCCSC 62a_200000210301_100011933949 [2,0,0,0,0,0|1,0,1]=4 5936 B11R0.3 C=CCCCCCCCCS[13CH3] 62a_100011933949_200025704644 [2,0,0,0,0,0|1,0,1]=4 5937 B11R0.3 C=CCCCCCCCCS[13CH3] 62a_200025704644_100011933949 [2,0,0,0,0,0|1,0,1]=4 5938 B11R0.3 C=CCCCCCCCNCC 2230a_100015525214_100012355270 [2,0,0,0,0,0|1,0,1]=4 5939 B11R0.3 C=CCCCCCCCOCC 34a_100000730831_100000210202 [2,0,0,0,0,0|1,0,1]=4 5940 B11R0.3 C=CCCCCCCCOCC 34a_100121572206_100012355270 [2,0,0,0,0,0|1,0,1]=4 5941 B11R0.3 C=CCCCCCCCOCC 7a_100000730831_100000210202 [2,0,0,0,0,0|1,0,1]=4 5942 B11R0.3 C=CCCCCCCCSCC 62a_100000210202_100012355270 [2,0,0,0,0,0|1,0,1]=4 5943 B11R0.3 C=CCCCCCCCSCC 62a_100012355270_100000210202 [2,0,0,0,0,0|1,0,1]=4 5944 B11R0.3 C=CCCCCCCOCCC 34a_100000210258_100011215473 [2,0,0,0,0,0|1,0,1]=4 5945 B11R0.3 C=CCCCCCCOCCC 34a_200011216477_100000210303 [2,0,0,0,0,0|1,0,1]=4 5946 B11R0.3 C=CCCCCCCOCCC 7a_200011216477_100000210303 [2,0,0,0,0,0|1,0,1]=4 5947 B11R0.3 C=CCCCCCCSCCC 62a_100000210303_100011215473 [2,0,0,0,0,0|1,0,1]=4 5948 B11R0.3 C=CCCCCCCSCCC 62a_100011215473_100000210303 [2,0,0,0,0,0|1,0,1]=4 5949 B11R0.3 C=CCCCCCNCCCC 2230a_100000102301_100000700193 [2,0,0,0,0,0|1,0,1]=4 5950 B11R0.3 C=CCCCCCNCCCC 7a_106832991798_100000700193 [2,0,0,0,0,0|1,0,1]=4 5951 B11R0.3 C=CCCCCCOCCCC 34a_100000210227_100000700193 [2,0,0,0,0,0|1,0,1]=4 5952 B11R0.3 C=CCCCCCOCCCC 34a_100011216702_100000210210 [2,0,0,0,0,0|1,0,1]=4 5953 B11R0.3 C=CCCCCCOCCCC 7a_100000210227_100000700193 [2,0,0,0,0,0|1,0,1]=4 5954 B11R0.3 C=CCCCCCOCCCC 7a_100011216702_100000210211 [2,0,0,0,0,0|1,0,1]=4 5955 B11R0.3 C=CCCCCCSCCCC 62a_100000210211_100000700193 [2,0,0,0,0,0|1,0,1]=4 5956 B11R0.3 C=CCCCCCSCCCC 62a_100000700193_100000210210 [2,0,0,0,0,0|1,0,1]=4 5957 B11R0.3 C=CCCCCNCCCCC 2230a_100000209983_100011215482 [2,0,0,0,0,0|1,0,1]=4 5958 B11R0.3 C=CCCCCNCCCCC 2230a_100000703577_100000210326 [2,0,0,0,0,0|1,0,1]=4 5959 B11R0.3 C=CCCCCNCCCCC 34a_100000703577_100000718602 [2,0,0,0,0,0|1,0,1]=4 5960 B11R0.3 C=CCCCCOCCCCC 34a_100000210253_100011215482 [2,0,0,0,0,0|1,0,1]=4 5961 B11R0.3 C=CCCCCOCCCCC 34a_100000766645_100000718602 [2,0,0,0,0,0|1,0,1]=4 5962 B11R0.3 C=CCCCCOCCCCC 7a_100000210253_100011215482 [2,0,0,0,0,0|1,0,1]=4 5963 B11R0.3 C=CCCCCOCCCCC 7a_100000766645_100000210326 [2,0,0,0,0,0|1,0,1]=4 5964 B11R0.3 C=CCCCCSCCCCC 62a_100000210326_100011215482 [2,0,0,0,0,0|1,0,1]=4 5965 B11R0.3 C=CCCCCSCCCCC 62a_100011215482_100000210326 [2,0,0,0,0,0|1,0,1]=4 5966 B11R0.3 C=CCCCNCCCCCC 2230a_100000210581_100011713584 [2,0,0,0,0,0|1,0,1]=4 5967 B11R0.3 C=CCCCNCCCCCC 2230a_100000700776_100000210314 [2,0,0,0,0,0|1,0,1]=4 5968 B11R0.3 C=CCCCNCCCCCC 34a_100000700776_100000210314 [2,0,0,0,0,0|1,0,1]=4 5969 B11R0.3 C=CCCCOCCCCCC 34a_100000210259_100000757094 [2,0,0,0,0,0|1,0,1]=4 5970 B11R0.3 C=CCCCOCCCCCC 34a_100000758997_100000210314 [2,0,0,0,0,0|1,0,1]=4 5971 B11R0.3 C=CCCCOCCCCCC 7a_100000210259_100000757094 [2,0,0,0,0,0|1,0,1]=4 5972 B11R0.3 C=CCCCOCCCCCC 7a_100000758997_100000210314 [2,0,0,0,0,0|1,0,1]=4 5973 B11R0.3 C=CCCCSCCCCCC 62a_100000210314_100000757094 [2,0,0,0,0,0|1,0,1]=4 5974 B11R0.3 C=CCCCSCCCCCC 62a_100011713584_100000210757 [2,0,0,0,0,0|1,0,1]=4 5975 B11R0.3 C=CCCNCCCCCCC 2230a_100000229938_100000754431 [2,0,0,0,0,0|1,0,1]=4 5976 B11R0.3 C=CCCNCCCCCCC 2230a_100015191253_100000210681 [2,0,0,0,0,0|1,0,1]=4 5977 B11R0.3 C=CCCOCCCCCCC 34a_100000210272_100000754431 [2,0,0,0,0,0|1,0,1]=4 5978 B11R0.3 C=CCCOCCCCCCC 34a_100011205117_100000210614 [2,0,0,0,0,0|1,0,1]=4 5979 B11R0.3 C=CCCOCCCCCCC 7a_100000210272_100000754431 [2,0,0,0,0,0|1,0,1]=4 5980 B11R0.3 C=CCCSCCCCCCC 62a_100000210614_100000754431 [2,0,0,0,0,0|1,0,1]=4 5981 B11R0.3 C=CCCSCCCCCCC 62a_100000754431_100000210316 [2,0,0,0,0,0|1,0,1]=4 5982 B11R0.3 C=CCNCCCCCCCC 2230a_100000229939_100000210623 [2,0,0,0,0,0|1,0,1]=4 5983 B11R0.3 C=CCNCCCCCCCC 2230a_100020586998_100000210759 [2,0,0,0,0,0|1,0,1]=4 5984 B11R0.3 C=CCNCCCCCCCC 34a_100000229939_100015514636 [2,0,0,0,0,0|1,0,1]=4 5985 B11R0.3 C=CCOCCCCCCCC 34a_100000210232_100015514636 [2,0,0,0,0,0|1,0,1]=4 5986 B11R0.3 C=CCOCCCCCCCC 34a_200000210373_100000210759 [2,0,0,0,0,0|1,0,1]=4 5987 B11R0.3 C=CCOCCCCCCCC 7a_100000210232_100015514636 [2,0,0,0,0,0|1,0,1]=4 5988 B11R0.3 C=CCSCCCCCCCC 62a_100000210623_100000210317 [2,0,0,0,0,0|1,0,1]=4 5989 B11R0.3 C=CCSCCCCCCCC 62a_100000210759_100000210623 [2,0,0,0,0,0|1,0,1]=4 5990 B11R0.3 CCCCCCCCCCNC 2230a_100000684558_200000210301 [2,0,0,0,0,0|1,0,1]=4 5991 B11R0.3 CCCCCCCCCCNC 2230a_106832991635_100000210320 [2,0,0,0,0,0|1,0,1]=4 5992 B11R0.3 CCCCCCCCCCNC 34a_100000684558_200000210301 [2,0,0,0,0,0|1,0,1]=4 5993 B11R0.3 CCCCCCCCCCNC 34a_100102657272_100000210320 [2,0,0,0,0,0|1,0,1]=4 5994 B11R0.3 CCCCCCCCCCNC 7a_106832991635_100000210320 [2,0,0,0,0,0|1,0,1]=4 5995 B11R0.3 CCCCCCCCCCN[13CH3] 2230a_100000684558_200025704644 [2,0,0,0,0,0|1,0,1]=4 5996 B11R0.3 CCCCCCCCCCN[13CH3] 34a_100000684558_200025704644 [2,0,0,0,0,0|1,0,1]=4 5997 B11R0.3 CCCCCCCCCCOC 34a_100000210711_200000210301 [2,0,0,0,0,0|1,0,1]=4 5998 B11R0.3 CCCCCCCCCCOC 34a_100138415774_100000210320 [2,0,0,0,0,0|1,0,1]=4 5999 B11R0.3 CCCCCCCCCCOC 7a_100000210711_200000210301 [2,0,0,0,0,0|1,0,1]=4 6000 B11R0.3 CCCCCCCCCCO[13CH3] 34a_100000210711_200025704644 [2,0,0,0,0,0|1,0,1]=4 6001 B11R0.3 CCCCCCCCCCO[13CH3] 7a_100000210711_200025704644 [2,0,0,0,0,0|1,0,1]=4 6002 B11R0.3 CCCCCCCCCCSC 62a_200000210301_100000210320 [2,0,0,0,0,0|1,0,1]=4 6003 B11R0.3 CCCCCCCCCCS[13CH3] 62a_200025704644_100000210320 [2,0,0,0,0,0|1,0,1]=4 6004 B11R0.3 CCCCCCCCCNCC 2230a_100000212291_100000210202 [2,0,0,0,0,0|1,0,1]=4 6005 B11R0.3 CCCCCCCCCNCC 2230a_100015525214_100011214924 [2,0,0,0,0,0|1,0,1]=4 6006 B11R0.3 CCCCCCCCCNCC 34a_100000212291_100000210202 [2,0,0,0,0,0|1,0,1]=4 6007 B11R0.3 CCCCCCCCCNCF 34a_100000212291_100015361967 [2,0,0,0,0,0|1,1,0]=4 6008 B11R0.3 CCCCCCCCCOCC 34a_100000210712_100000210202 [2,0,0,0,0,0|1,0,1]=4 6009 B11R0.3 CCCCCCCCCOCC 34a_100121572206_100011214924 [2,0,0,0,0,0|1,0,1]=4 6010 B11R0.3 CCCCCCCCCOCC 7a_100000210712_100000210202 [2,0,0,0,0,0|1,0,1]=4 6011 B11R0.3 CCCCCCCCCOCF 34a_100000210712_100015361967 [2,0,0,0,0,0|1,1,0]=4 6012 B11R0.3 CCCCCCCCCOCF 7a_100000210712_100015361967 [2,0,0,0,0,0|1,1,0]=4 6013 B11R0.3 CCCCCCCCCSCC 62a_100000210202_100000210670 [2,0,0,0,0,0|1,0,1]=4 6014 B11R0.3 CCCCCCCCCSCF 62a_100015361967_100000210670 [2,0,0,0,0,0|1,1,0]=4 6015 B11R0.3 CCCCCCCCNCC=O 2230a_100000229939_200015260668 [2,0,0,0,0,0|1,0,0]=3 6016 B11R0.3 CCCCCCCCNCC=O 34a_100000229939_200009817547 [2,0,0,0,0,0|1,0,0]=3 6017 B11R0.3 CCCCCCCCNCCC 2230a_100000229939_100000210303 [2,0,0,0,0,0|1,0,1]=4 6018 B11R0.3 CCCCCCCCNCCC 34a_100000229939_100000210303 [2,0,0,0,0,0|1,0,1]=4 6019 B11R0.3 CCCCCCCCNCCF 2230a_100000229939_100011217306 [2,0,0,0,0,0|1,1,0]=4 6020 B11R0.3 CCCCCCCCNCCF 34a_100000229939_100011217306 [2,0,0,0,0,0|1,1,0]=4 6021 B11R0.3 CCCCCCCCNCCF 34a_100000724931_100000210759 [2,0,0,0,0,0|1,1,0]=4 6022 B11R0.3 CCCCCCCCNCCO 2230a_100000229939_100000211926 [2,0,0,0,0,0|1,0,1]=4 6023 B11R0.3 CCCCCCCCNCCO 2230a_100016997473_100000210759 [2,0,0,0,0,0|1,0,1]=4 6024 B11R0.3 CCCCCCCCNCCO 34a_100000229939_100000211926 [2,0,0,0,0,0|1,0,1]=4 6025 B11R0.3 CCCCCCCCNCCO 34a_100016990907_100000210759 [2,0,0,0,0,0|1,0,1]=4 6026 B11R0.3 CCCCCCCCOCC=O 34a_100000210232_200009817547 [2,0,0,0,0,0|1,0,0]=3 6027 B11R0.3 CCCCCCCCOCC=O 7a_100000210232_200015260668 [2,0,0,0,0,0|1,0,0]=3 6028 B11R0.3 CCCCCCCCOCCBr 34a_100000211926_100000210759 [2,0,0,0,0,0|1,1,0]=4 6029 B11R0.3 CCCCCCCCOCCC 34a_100000210232_100000210303 [2,0,0,0,0,0|1,0,1]=4 6030 B11R0.3 CCCCCCCCOCCC 34a_100000210258_100000210759 [2,0,0,0,0,0|1,0,1]=4 6031 B11R0.3 CCCCCCCCOCCC 7a_100000210232_100000210303 [2,0,0,0,0,0|1,0,1]=4 6032 B11R0.3 CCCCCCCCOCCF 34a_100000210232_100011217306 [2,0,0,0,0,0|1,1,0]=4 6033 B11R0.3 CCCCCCCCOCCF 7a_100000210232_100011217306 [2,0,0,0,0,0|1,1,0]=4 6034 B11R0.3 CCCCCCCCOCCN 34a_100000210304_100000210759 [2,0,0,0,0,0|2,0,0]=4 6035 B11R0.3 CCCCCCCCOCCO 34a_100000210232_100000211926 [2,0,0,0,0,0|1,0,1]=4 6036 B11R0.3 CCCCCCCCOCCO 7a_100000210232_100000211926 [2,0,0,0,0,0|1,0,1]=4 6037 B11R0.3 CCCCCCCCSCC=O 62a_100000210759_200015260668 [2,0,0,0,0,0|1,0,0]=3 6038 B11R0.3 CCCCCCCCSCC=O 62a_200015260668_100000210317 [2,0,0,0,0,0|1,0,0]=3 6039 B11R0.3 CCCCCCCCSCCC 62a_100000210303_100000210317 [2,0,0,0,0,0|1,0,1]=4 6040 B11R0.3 CCCCCCCCSCCC 62a_100000210759_100000210303 [2,0,0,0,0,0|1,0,1]=4 6041 B11R0.3 CCCCCCCCSCCF 62a_100000210759_100011217306 [2,0,0,0,0,0|1,1,0]=4 6042 B11R0.3 CCCCCCCCSCCF 62a_100011217306_100000210317 [2,0,0,0,0,0|1,1,0]=4 6043 B11R0.3 CCCCCCCCSCCO 62a_100000210759_100000211926 [2,0,0,0,0,0|1,0,1]=4 6044 B11R0.3 CCCCCCCCSCCO 62a_100000211926_100000210317 [2,0,0,0,0,0|1,0,1]=4 6045 B11R0.3 CCCCCCCNCCCC 2230a_100000102301_100000210681 [2,0,0,0,0,0|1,0,1]=4 6046 B11R0.3 CCCCCCCNCCCC 2230a_100000229938_100000210211 [2,0,0,0,0,0|1,0,1]=4 6047 B11R0.3 CCCCCCCNCCCC 7a_106832991798_100000210614 [2,0,0,0,0,0|1,0,1]=4 6048 B11R0.3 CCCCCCCNCCCF 2230a_100000229938_100011934791 [2,0,0,0,0,0|1,1,0]=4 6049 B11R0.3 CCCCCCCNCCCF 2230a_100015189416_100000210681 [2,0,0,0,0,0|1,1,0]=4 6050 B11R0.3 CCCCCCCNCCCF 34a_100015189416_100000210614 [2,0,0,0,0,0|1,1,0]=4 6051 B11R0.3 CCCCCCCNCCCO 2230a_100000229938_100000230001 [2,0,0,0,0,0|1,0,1]=4 6052 B11R0.3 CCCCCCCOCCCBr 34a_100011217188_100000210614 [2,0,0,0,0,0|1,1,0]=4 6053 B11R0.3 CCCCCCCOCCCC 34a_100000210227_100000210614 [2,0,0,0,0,0|1,0,1]=4 6054 B11R0.3 CCCCCCCOCCCC 34a_100000210272_100000210210 [2,0,0,0,0,0|1,0,1]=4 6055 B11R0.3 CCCCCCCOCCCC 7a_100000210227_100000210614 [2,0,0,0,0,0|1,0,1]=4 6056 B11R0.3 CCCCCCCOCCCC 7a_100000210272_100000210211 [2,0,0,0,0,0|1,0,1]=4 6057 B11R0.3 CCCCCCCOCCCCl 34a_100000230001_100000210614 [2,0,0,0,0,0|1,0,0]=3 6058 B11R0.3 CCCCCCCOCCCF 34a_100000210272_100011934791 [2,0,0,0,0,0|1,1,0]=4 6059 B11R0.3 CCCCCCCOCCCF 34a_100000759539_100000210614 [2,0,0,0,0,0|1,1,0]=4 6060 B11R0.3 CCCCCCCOCCCF 7a_100000210272_100011934791 [2,0,0,0,0,0|1,1,0]=4 6061 B11R0.3 CCCCCCCOCCCN 34a_100000182051_100000210614 [2,0,0,0,0,0|2,0,0]=4 6062 B11R0.3 CCCCCCCOCCCO 34a_100000210272_100000230001 [2,0,0,0,0,0|1,0,1]=4 6063 B11R0.3 CCCCCCCOCCCO 7a_100000210272_100011215043 [2,0,0,0,0,0|1,0,1]=4 6064 B11R0.3 CCCCCCCSCCCC 62a_100000210211_100000210316 [2,0,0,0,0,0|1,0,1]=4 6065 B11R0.3 CCCCCCCSCCCC 62a_100000210614_100000210210 [2,0,0,0,0,0|1,0,1]=4 6066 B11R0.3 CCCCCCCSCCCF 62a_100000210614_100011934791 [2,0,0,0,0,0|1,1,0]=4 6067 B11R0.3 CCCCCCCSCCCF 62a_100011934791_100000210316 [2,0,0,0,0,0|1,1,0]=4 6068 B11R0.3 CCCCCCCSCCCO 62a_100000210614_100011215043 [2,0,0,0,0,0|1,0,1]=4 6069 B11R0.3 CCCCCCCSCCCO 62a_100011215043_100000210316 [2,0,0,0,0,0|1,0,1]=4 6070 B11R0.3 CCCCCCNCCCC=O 2230a_100000210581_200011292268 [2,0,0,0,0,0|1,0,0]=3 6071 B11R0.3 CCCCCCNCCCCC 2230a_100000209983_100000210314 [2,0,0,0,0,0|1,0,1]=4 6072 B11R0.3 CCCCCCNCCCCC 2230a_100000210581_100000210326 [2,0,0,0,0,0|1,0,1]=4 6073 B11R0.3 CCCCCCNCCCCF 2230a_100000210581_100000729493 [2,0,0,0,0,0|1,1,0]=4 6074 B11R0.3 CCCCCCNCCCCO 2230a_100000210581_100000210776 [2,0,0,0,0,0|1,0,1]=4 6075 B11R0.3 CCCCCCNCCCCO 2230a_100000750430_100000210314 [2,0,0,0,0,0|1,0,1]=4 6076 B11R0.3 CCCCCCNCCCCO 34a_100000750430_100000210314 [2,0,0,0,0,0|1,0,1]=4 6077 B11R0.3 CCCCCCOCCCC=O 7a_100000210259_200011292268 [2,0,0,0,0,0|1,0,0]=3 6078 B11R0.3 CCCCCCOCCCCBr 34a_100011216708_100000210314 [2,0,0,0,0,0|1,1,0]=4 6079 B11R0.3 CCCCCCOCCCCC 34a_100000210253_100000210314 [2,0,0,0,0,0|1,0,1]=4 6080 B11R0.3 CCCCCCOCCCCC 34a_100000210259_100000718602 [2,0,0,0,0,0|1,0,1]=4 6081 B11R0.3 CCCCCCOCCCCC 7a_100000210253_100000210314 [2,0,0,0,0,0|1,0,1]=4 6082 B11R0.3 CCCCCCOCCCCC 7a_100000210259_100000210326 [2,0,0,0,0,0|1,0,1]=4 6083 B11R0.3 CCCCCCOCCCCCl 34a_100000210776_100000210314 [2,0,0,0,0,0|1,0,0]=3 6084 B11R0.3 CCCCCCOCCCCCl 7a_100000210776_100000210314 [2,0,0,0,0,0|1,0,0]=3 6085 B11R0.3 CCCCCCOCCCCF 34a_100000210259_100000729493 [2,0,0,0,0,0|1,1,0]=4 6086 B11R0.3 CCCCCCOCCCCF 34a_100011995726_100000210314 [2,0,0,0,0,0|1,1,0]=4 6087 B11R0.3 CCCCCCOCCCCF 7a_100000210259_100000729493 [2,0,0,0,0,0|1,1,0]=4 6088 B11R0.3 CCCCCCOCCCCF 7a_100011995726_100000210314 [2,0,0,0,0,0|1,1,0]=4 6089 B11R0.3 CCCCCCOCCCCI 34a_200012148704_100000210314 [2,0,0,0,0,0|1,1,0]=4 6090 B11R0.3 CCCCCCOCCCCN 34a_100000750430_100000210314 [2,0,0,0,0,0|2,0,0]=4 6091 B11R0.3 CCCCCCOCCCCO 34a_100000210259_100011216708 [2,0,0,0,0,0|1,0,1]=4 6092 B11R0.3 CCCCCCOCCCCO 7a_100000210259_100000210776 [2,0,0,0,0,0|1,0,1]=4 6093 B11R0.3 CCCCCCSCCCC=O 62a_100000210314_200011292268 [2,0,0,0,0,0|1,0,0]=3 6094 B11R0.3 CCCCCCSCCCC=O 62a_200011292268_100000210757 [2,0,0,0,0,0|1,0,0]=3 6095 B11R0.3 CCCCCCSCCCCC 62a_100000210314_100000210326 [2,0,0,0,0,0|1,0,1]=4 6096 B11R0.3 CCCCCCSCCCCC 62a_100000210326_100000210757 [2,0,0,0,0,0|1,0,1]=4 6097 B11R0.3 CCCCCCSCCCCF 62a_100000210314_100000729493 [2,0,0,0,0,0|1,1,0]=4 6098 B11R0.3 CCCCCCSCCCCF 62a_100000729493_100000210757 [2,0,0,0,0,0|1,1,0]=4 6099 B11R0.3 CCCCCCSCCCCO 62a_100000210314_100000210776 [2,0,0,0,0,0|1,0,1]=4 6100 B11R0.3 CCCCCCSCCCCO 62a_100000210776_100000210757 [2,0,0,0,0,0|1,0,1]=4 6101 B11R0.3 CCCCCNCCCCC=O 2230a_100000209983_100000139335 [2,0,0,0,0,0|1,0,0]=3 6102 B11R0.3 CCCCCNCCCCCF 2230a_100000209983_100000729378 [2,0,0,0,0,0|1,1,0]=4 6103 B11R0.3 CCCCCNCCCCCO 2230a_100000209983_100000746330 [2,0,0,0,0,0|1,0,1]=4 6104 B11R0.3 CCCCCNCCCCCO 2230a_100000762737_100000210326 [2,0,0,0,0,0|1,0,1]=4 6105 B11R0.3 CCCCCNCCCCCO 34a_100000762737_100000718602 [2,0,0,0,0,0|1,0,1]=4 6106 B11R0.3 CCCCCNCCOCC=O 34a_100000224656_200009817547 [2,0,0,0,0,0|2,0,0]=4 6107 B11R0.3 CCCCCOCCCCC=O 7a_100000210253_100000139335 [2,0,0,0,0,0|1,0,0]=3 6108 B11R0.3 CCCCCOCCCCCBr 34a_100000746331_100000718602 [2,0,0,0,0,0|1,1,0]=4 6109 B11R0.3 CCCCCOCCCCCBr 7a_100000746331_100000210326 [2,0,0,0,0,0|1,1,0]=4 6110 B11R0.3 CCCCCOCCCCCCl 34a_100000746330_100000718602 [2,0,0,0,0,0|1,0,0]=3 6111 B11R0.3 CCCCCOCCCCCCl 7a_100000746330_100000210326 [2,0,0,0,0,0|1,0,0]=3 6112 B11R0.3 CCCCCOCCCCCF 34a_100000210253_100000729378 [2,0,0,0,0,0|1,1,0]=4 6113 B11R0.3 CCCCCOCCCCCF 7a_100000210253_100000729378 [2,0,0,0,0,0|1,1,0]=4 6114 B11R0.3 CCCCCOCCCCCI 34a_200012148887_100000718602 [2,0,0,0,0,0|1,1,0]=4 6115 B11R0.3 CCCCCOCCCCCI 7a_200012148887_100000210326 [2,0,0,0,0,0|1,1,0]=4 6116 B11R0.3 CCCCCOCCCCCN 34a_100000762737_100000718602 [2,0,0,0,0,0|2,0,0]=4 6117 B11R0.3 CCCCCOCCCCCO 34a_100000210253_100000746330 [2,0,0,0,0,0|1,0,1]=4 6118 B11R0.3 CCCCCOCCCCCO 7a_100000210253_100000746330 [2,0,0,0,0,0|1,0,1]=4 6119 B11R0.3 CCCCCOCCOCC=O 34a_100011215259_200009817547 [2,0,0,0,0,0|2,0,0]=4 6120 B11R0.3 CCCCCOCCOCC=O 7a_100011215259_200015260668 [2,0,0,0,0,0|2,0,0]=4 6121 B11R0.3 CCCCCOCCOCCCl 34a_100011215305_100000718602 [2,0,0,0,0,0|2,0,0]=4 6122 B11R0.3 CCCCCOCCOCCCl 7a_100011215305_100000210326 [2,0,0,0,0,0|2,0,0]=4 6123 B11R0.3 CCCCCSCCCCC=O 62a_100000139335_100000210326 [2,0,0,0,0,0|1,0,0]=3 6124 B11R0.3 CCCCCSCCCCC=O 62a_100000210326_100000139335 [2,0,0,0,0,0|1,0,0]=3 6125 B11R0.3 CCCCCSCCCCCF 62a_100000210326_100000729378 [2,0,0,0,0,0|1,1,0]=4 6126 B11R0.3 CCCCCSCCCCCF 62a_100000729378_100000210326 [2,0,0,0,0,0|1,1,0]=4 6127 B11R0.3 CCCCCSCCCCCO 62a_100000210326_100000746330 [2,0,0,0,0,0|1,0,1]=4 6128 B11R0.3 CCCCCSCCCCCO 62a_100000746330_100000210326 [2,0,0,0,0,0|1,0,1]=4 6129 B11R0.3 CCCCNCCCCCC=O 2230a_100000102301_100000139337 [2,0,0,0,0,0|1,0,0]=3 6130 B11R0.3 CCCCNCCCCCC=O 7a_106832991798_100000139337 [2,0,0,0,0,0|1,0,0]=3 6131 B11R0.3 CCCCNCCCCCCF 2230a_100000102301_100015922095 [2,0,0,0,0,0|1,1,0]=4 6132 B11R0.3 CCCCNCCCCCCF 7a_106832991798_100015922095 [2,0,0,0,0,0|1,1,0]=4 6133 B11R0.3 CCCCNCCCCCCO 2230a_100000102301_100000766143 [2,0,0,0,0,0|1,0,1]=4 6134 B11R0.3 CCCCNCCCCCCO 2230a_100000686447_100000210211 [2,0,0,0,0,0|1,0,1]=4 6135 B11R0.3 CCCCNCCCCCCO 34a_100000686447_100000210210 [2,0,0,0,0,0|1,0,1]=4 6136 B11R0.3 CCCCNCCCCCCO 7a_106832991798_100000766143 [2,0,0,0,0,0|1,0,1]=4 6137 B11R0.3 CCCCOCCCCCC=O 7a_100000210227_100000139337 [2,0,0,0,0,0|1,0,0]=3 6138 B11R0.3 CCCCOCCCCCCBr 34a_100011215345_100000210210 [2,0,0,0,0,0|1,1,0]=4 6139 B11R0.3 CCCCOCCCCCCBr 7a_100011215345_100000210211 [2,0,0,0,0,0|1,1,0]=4 6140 B11R0.3 CCCCOCCCCCCCl 34a_100000766143_100000210210 [2,0,0,0,0,0|1,0,0]=3 6141 B11R0.3 CCCCOCCCCCCCl 7a_100000766143_100000210211 [2,0,0,0,0,0|1,0,0]=3 6142 B11R0.3 CCCCOCCCCCCF 34a_100000210227_100015922095 [2,0,0,0,0,0|1,1,0]=4 6143 B11R0.3 CCCCOCCCCCCF 34a_100000732779_100000210210 [2,0,0,0,0,0|1,1,0]=4 6144 B11R0.3 CCCCOCCCCCCF 7a_100000210227_100015922095 [2,0,0,0,0,0|1,1,0]=4 6145 B11R0.3 CCCCOCCCCCCF 7a_100000732779_100000210211 [2,0,0,0,0,0|1,1,0]=4 6146 B11R0.3 CCCCOCCCCCCN 34a_100000686447_100000210210 [2,0,0,0,0,0|2,0,0]=4 6147 B11R0.3 CCCCOCCCCCCO 34a_100000210227_100000766143 [2,0,0,0,0,0|1,0,1]=4 6148 B11R0.3 CCCCOCCCCCCO 7a_100000210227_100000766143 [2,0,0,0,0,0|1,0,1]=4 6149 B11R0.3 CCCCOCCCNCC=O 2230a_200000211371_200015260668 [2,0,0,0,0,0|2,0,0]=4 6150 B11R0.3 CCCCOCCCNCC=O 34a_200000211371_200009817547 [2,0,0,0,0,0|2,0,0]=4 6151 B11R0.3 CCCCOCCCOCC=O 34a_200011215613_200009817547 [2,0,0,0,0,0|2,0,0]=4 6152 B11R0.3 CCCCOCCCOCC=O 7a_200011215613_200015260668 [2,0,0,0,0,0|2,0,0]=4 6153 B11R0.3 CCCCOCCOCCCCl 34a_100000230001_100000743108 [2,0,0,0,0,0|2,0,0]=4 6154 B11R0.3 CCCCOCOCCCCCl 34a_100000210776_100011995733 [2,0,0,0,0,0|2,0,0]=4 6155 B11R0.3 CCCCOCSCCCC=O 62a_100011995733_200011292268 [2,0,0,0,0,0|2,0,0]=4 6156 B11R0.3 CCCCOCSCCCC=O 62a_200011292268_100011995733 [2,0,0,0,0,0|2,0,0]=4 6157 B11R0.3 CCCCSCCCCCC=O 62a_100000139337_100000210210 [2,0,0,0,0,0|1,0,0]=3 6158 B11R0.3 CCCCSCCCCCC=O 62a_100000210211_100000139337 [2,0,0,0,0,0|1,0,0]=3 6159 B11R0.3 CCCCSCCCCCCF 62a_100000210211_100015922095 [2,0,0,0,0,0|1,1,0]=4 6160 B11R0.3 CCCCSCCCCCCF 62a_100015922095_100000210210 [2,0,0,0,0,0|1,1,0]=4 6161 B11R0.3 CCCCSCCCCCCO 62a_100000210211_100000766143 [2,0,0,0,0,0|1,0,1]=4 6162 B11R0.3 CCCCSCCCCCCO 62a_100000766143_100000210210 [2,0,0,0,0,0|1,0,1]=4 6163 B11R0.3 CCCNCCCCCCCO 2230a_100011996573_100000210303 [2,0,0,0,0,0|1,0,1]=4 6164 B11R0.3 CCCNCCCCCCCO 34a_100011996573_100000210303 [2,0,0,0,0,0|1,0,1]=4 6165 B11R0.3 CCCOCCCCCCCBr 34a_100000760002_100000210303 [2,0,0,0,0,0|1,1,0]=4 6166 B11R0.3 CCCOCCCCCCCBr 7a_100000760002_100000210303 [2,0,0,0,0,0|1,1,0]=4 6167 B11R0.3 CCCOCCCCCCCN 34a_100011996573_100000210303 [2,0,0,0,0,0|2,0,0]=4 6168 B11R0.3 CCCOCCCCCCCO 34a_100000210258_100000760002 [2,0,0,0,0,0|1,0,1]=4 6169 B11R0.3 CCCOCCNCCCC=O 2230a_100161115042_200011292268 [2,0,0,0,0,0|2,0,0]=4 6170 B11R0.3 CCCOCCOCCCC=O 7a_100000752267_200011292268 [2,0,0,0,0,0|2,0,0]=4 6171 B11R0.3 CCCOCCOCCCCCl 34a_100000210776_100011215938 [2,0,0,0,0,0|2,0,0]=4 6172 B11R0.3 CCCOCCOCCCCCl 7a_100000210776_100011215938 [2,0,0,0,0,0|2,0,0]=4 6173 B11R0.3 CCCOCCSCCCC=O 62a_100011215938_200011292268 [2,0,0,0,0,0|2,0,0]=4 6174 B11R0.3 CCCOCCSCCCC=O 62a_200011292268_100011215938 [2,0,0,0,0,0|2,0,0]=4 6175 B11R0.3 CCCSCCCCCCCO 62a_100000210303_100000760002 [2,0,0,0,0,0|1,0,1]=4 6176 B11R0.3 CCCSCCCCCCCO 62a_100000760002_100000210303 [2,0,0,0,0,0|1,0,1]=4 6177 B11R0.3 CCCSCCNCCCC=O 2230a_100020603323_200011292268 [2,0,0,0,0,0|2,0,0]=4 6178 B11R0.3 CCCSCCOCCCC=O 7a_200000230433_200011292268 [2,0,0,0,0,0|2,0,0]=4 6179 B11R0.3 CCNCCCCCCCCO 2230a_100015525214_100000033203 [2,0,0,0,0,0|1,0,1]=4 6180 B11R0.3 CCNCCCCCCCCO 2230a_102515433106_100000210202 [2,0,0,0,0,0|1,0,1]=4 6181 B11R0.3 CCNCCCCCCCCO 34a_102515433106_100000210202 [2,0,0,0,0,0|1,0,1]=4 6182 B11R0.3 CCOCCCCCCCCBr 34a_100009813846_100000210202 [2,0,0,0,0,0|1,1,0]=4 6183 B11R0.3 CCOCCCCCCCCBr 7a_100009813846_100000210202 [2,0,0,0,0,0|1,1,0]=4 6184 B11R0.3 CCOCCCCCCCCCl 34a_100000033203_100000210202 [2,0,0,0,0,0|1,0,0]=3 6185 B11R0.3 CCOCCCCCCCCCl 7a_100000033203_100000210202 [2,0,0,0,0,0|1,0,0]=3 6186 B11R0.3 CCOCCCCCCCCN 34a_102515433106_100000210202 [2,0,0,0,0,0|2,0,0]=4 6187 B11R0.3 CCOCCCCCCCCO 34a_100121572206_100000033203 [2,0,0,0,0,0|1,0,1]=4 6188 B11R0.3 CCOCCCNCCCC=O 2230a_100000210961_200011292268 [2,0,0,0,0,0|2,0,0]=4 6189 B11R0.3 CCOCCCOCCCC=O 7a_100000757476_200011292268 [2,0,0,0,0,0|2,0,0]=4 6190 B11R0.3 CCOCCCOCCCCCl 34a_100000210776_100012232248 [2,0,0,0,0,0|2,0,0]=4 6191 B11R0.3 CCOCCCOCCCCCl 7a_100000210776_100012232248 [2,0,0,0,0,0|2,0,0]=4 6192 B11R0.3 CCOCCCSCCCC=O 62a_100012232248_200011292268 [2,0,0,0,0,0|2,0,0]=4 6193 B11R0.3 CCOCCCSCCCC=O 62a_200011292268_100012232248 [2,0,0,0,0,0|2,0,0]=4 6194 B11R0.3 CCOCCNCCCCC=O 2230a_102516460346_100000139335 [2,0,0,0,0,0|2,0,0]=4 6195 B11R0.3 CCOCCOCCCCC=O 7a_100000210136_100000139335 [2,0,0,0,0,0|2,0,0]=4 6196 B11R0.3 CCOCCOCCCCCCl 34a_100000746330_100000210147 [2,0,0,0,0,0|2,0,0]=4 6197 B11R0.3 CCOCCOCCCCCCl 7a_100000746330_100011215890 [2,0,0,0,0,0|2,0,0]=4 6198 B11R0.3 CCOCCSCCCCC=O 62a_100000139335_100011215890 [2,0,0,0,0,0|2,0,0]=4 6199 B11R0.3 CCOCCSCCCCC=O 62a_100000210147_100000139335 [2,0,0,0,0,0|2,0,0]=4 6200 B11R0.3 CCOCSCCCCCC=O 62a_100000139337_100000739092 [2,0,0,0,0,0|2,0,0]=4 6201 B11R0.3 CCOCSCCCCCC=O 62a_100000739092_100000139337 [2,0,0,0,0,0|2,0,0]=4 6202 B11R0.3 CCSCCCCCCCCO 62a_100000033203_100000210202 [2,0,0,0,0,0|1,0,1]=4 6203 B11R0.3 CCSCCCCCCCCO 62a_100000210202_100000033203 [2,0,0,0,0,0|1,0,1]=4 6204 B11R0.3 CCSCCCOCCCC=O 7a_100011216438_200011292268 [2,0,0,0,0,0|2,0,0]=4 6205 B11R0.3 CCSCCNCCCCC=O 2230a_100000106463_100000139335 [2,0,0,0,0,0|2,0,0]=4 6206 B11R0.3 CCSCCOCCCCC=O 7a_100000212035_100000139335 [2,0,0,0,0,0|2,0,0]=4 6207 B11R0.3 CCSCCOCCCCCCl 34a_100000746330_100000757381 [2,0,0,0,0,0|2,0,0]=4 6208 B11R0.3 CCSCCOCCCCCCl 7a_100000746330_100000757381 [2,0,0,0,0,0|2,0,0]=4 6209 B11R0.3 CCSCCSCCCCC=O 62a_100000139335_100000757381 [2,0,0,0,0,0|2,0,0]=4 6210 B11R0.3 CCSCCSCCCCC=O 62a_100000757381_100000139335 [2,0,0,0,0,0|2,0,0]=4 6211 B11R0.3 CNCCCCCCCCCO 2230a_100000078944_200000210301 [2,0,0,0,0,0|1,0,1]=4 6212 B11R0.3 CNCCCCCCCCCO 2230a_106832991635_100009813782 [2,0,0,0,0,0|1,0,1]=4 6213 B11R0.3 CNCCCCCCCCCO 34a_100000078944_200000210301 [2,0,0,0,0,0|1,0,1]=4 6214 B11R0.3 CNCCCCCCCCCO 34a_100102657272_100009813782 [2,0,0,0,0,0|1,0,1]=4 6215 B11R0.3 CNCCCCCCCCCO 7a_106832991635_100009813782 [2,0,0,0,0,0|1,0,1]=4 6216 B11R0.3 COCCCCCCCCCBr 34a_100009813782_200000210301 [2,0,0,0,0,0|1,1,0]=4 6217 B11R0.3 COCCCCCCCCCBr 7a_100009813782_200000210301 [2,0,0,0,0,0|1,1,0]=4 6218 B11R0.3 COCCCCCCCCCCl 34a_100009868337_200000210301 [2,0,0,0,0,0|1,0,0]=3 6219 B11R0.3 COCCCCCCCCCCl 7a_100009868337_200000210301 [2,0,0,0,0,0|1,0,0]=3 6220 B11R0.3 COCCCCCCCCCN 34a_100000078944_200000210301 [2,0,0,0,0,0|2,0,0]=4 6221 B11R0.3 COCCCCCCCCCO 34a_100138415774_100009813782 [2,0,0,0,0,0|1,0,1]=4 6222 B11R0.3 COCCCCCCOCC=O 34a_200012092642_200009817547 [2,0,0,0,0,0|2,0,0]=4 6223 B11R0.3 COCCCCCCOCC=O 7a_200012092642_200015260668 [2,0,0,0,0,0|2,0,0]=4 6224 B11R0.3 COCCCCCCSCC=O 62a_100011998445_200015260668 [2,0,0,0,0,0|2,0,0]=4 6225 B11R0.3 COCCCCCCSCC=O 62a_200015260668_100011998445 [2,0,0,0,0,0|2,0,0]=4 6226 B11R0.3 COCCCCOCCCCCl 34a_100000210776_100000755781 [2,0,0,0,0,0|2,0,0]=4 6227 B11R0.3 COCCCCOCCCCCl 7a_100000210776_100000730899 [2,0,0,0,0,0|2,0,0]=4 6228 B11R0.3 COCCCCSCCCC=O 62a_100000730899_200011292268 [2,0,0,0,0,0|2,0,0]=4 6229 B11R0.3 COCCCCSCCCC=O 62a_200011292268_100000730899 [2,0,0,0,0,0|2,0,0]=4 6230 B11R0.3 COCCCOCCCCCCl 34a_100000746330_100000740836 [2,0,0,0,0,0|2,0,0]=4 6231 B11R0.3 COCCCOCCCCCCl 7a_100000746330_100000740836 [2,0,0,0,0,0|2,0,0]=4 6232 B11R0.3 COCCCSCCCCC=O 62a_100000139335_100000709357 [2,0,0,0,0,0|2,0,0]=4 6233 B11R0.3 COCCCSCCCCC=O 62a_100000709357_100000139335 [2,0,0,0,0,0|2,0,0]=4 6234 B11R0.3 COCCNCCCCCC=O 2230a_100000209980_100000139337 [2,0,0,0,0,0|2,0,0]=4 6235 B11R0.3 COCCOCCCCCCCl 34a_100000766143_100011201679 [2,0,0,0,0,0|2,0,0]=4 6236 B11R0.3 COCCOCCCCCCCl 7a_100000766143_100000233755 [2,0,0,0,0,0|2,0,0]=4 6237 B11R0.3 COCCSCCCCCC=O 62a_100000139337_100000233755 [2,0,0,0,0,0|2,0,0]=4 6238 B11R0.3 COCCSCCCCCC=O 62a_100000233755_100000139337 [2,0,0,0,0,0|2,0,0]=4 6239 B11R0.3 CSCCCCCCCCCO 62a_100009813782_200000210301 [2,0,0,0,0,0|1,0,1]=4 6240 B11R0.3 CSCCCCCCCCCO 62a_200000210301_100009813782 [2,0,0,0,0,0|1,0,1]=4 6241 B11R0.3 CSCCCCOCCCC=O 7a_100011217163_200011292268 [2,0,0,0,0,0|2,0,0]=4 6242 B11R0.3 CSCCCNCCCCC=O 2230a_100000749238_100000139335 [2,0,0,0,0,0|2,0,0]=4 6243 B11R0.3 CSCCCOCCCCC=O 7a_100000690336_100000139335 [2,0,0,0,0,0|2,0,0]=4 6244 B11R0.3 CSCCNCCCCCC=O 2230a_100020590264_100000139337 [2,0,0,0,0,0|2,0,0]=4 6245 B11R0.3 CSCCOCCCCCC=O 7a_100000230434_100000139337 [2,0,0,0,0,0|2,0,0]=4 6246 B11R0.3 CSCCOCCCCCCCl 34a_100000766143_100000212216 [2,0,0,0,0,0|2,0,0]=4 6247 B11R0.3 CSCCOCCCCCCCl 7a_100000766143_100000212216 [2,0,0,0,0,0|2,0,0]=4 6248 B11R0.3 CSCCSCCCCCC=O 62a_100000139337_100000751147 [2,0,0,0,0,0|2,0,0]=4 6249 B11R0.3 CSCCSCCCCCC=O 62a_100000212216_100000139337 [2,0,0,0,0,0|2,0,0]=4 6250 B11R0.3 FCCCCCCOCCCCl 34a_100000230001_100015922095 [2,0,0,0,0,0|2,0,0]=4 6251 B11R0.3 FCCCCCOCCCCCl 34a_100000210776_100000729378 [2,0,0,0,0,0|2,0,0]=4 6252 B11R0.3 FCCCCCOCCCCCl 7a_100000210776_100000729378 [2,0,0,0,0,0|2,0,0]=4 6253 B11R0.3 FCCCCOCCCCCCl 34a_100000746330_100000729493 [2,0,0,0,0,0|2,0,0]=4 6254 B11R0.3 FCCCCOCCCCCCl 7a_100000746330_100000729493 [2,0,0,0,0,0|2,0,0]=4 6255 B11R0.3 FCCCOCCCCCCCl 34a_100000766143_100011934791 [2,0,0,0,0,0|2,0,0]=4 6256 B11R0.3 FCCCOCCCCCCCl 7a_100000766143_100011934791 [2,0,0,0,0,0|2,0,0]=4 6257 B11R0.3 FCOCCCCCCCCCl 34a_100000033203_100015361967 [2,0,0,0,0,0|2,0,0]=4 6258 B11R0.3 FCOCCCCCCCCCl 7a_100000033203_100015361967 [2,0,0,0,0,0|2,0,0]=4 6259 B11R0.3 NCCCCCCCOCC=O 34a_100011996573_200009817547 [2,0,0,0,0,0|2,0,0]=4 6260 B11R0.3 O=CCCCCCNCCCF 2230a_100015189416_100000139337 [2,0,0,0,0,0|2,0,0]=4 6261 B11R0.3 O=CCCCCCSCCCF 62a_100000139337_100011934791 [2,0,0,0,0,0|2,0,0]=4 6262 B11R0.3 O=CCCCCCSCCCF 62a_100011934791_100000139337 [2,0,0,0,0,0|2,0,0]=4 6263 B11R0.3 O=CCCCCCSCCCO 62a_100000139337_100011215043 [2,0,0,0,0,0|2,0,0]=4 6264 B11R0.3 O=CCCCCCSCCCO 62a_100011215043_100000139337 [2,0,0,0,0,0|2,0,0]=4 6265 B11R0.3 O=CCCCCNCCCCO 2230a_100000750430_100000139335 [2,0,0,0,0,0|2,0,0]=4 6266 B11R0.3 O=CCCCCOCCCCCl 7a_100000210776_100000139335 [2,0,0,0,0,0|2,0,0]=4 6267 B11R0.3 O=CCCCCOCCCCF 7a_100011995726_100000139335 [2,0,0,0,0,0|2,0,0]=4 6268 B11R0.3 O=CCCCCSCCCCF 62a_100000139335_100000729493 [2,0,0,0,0,0|2,0,0]=4 6269 B11R0.3 O=CCCCCSCCCCF 62a_100000729493_100000139335 [2,0,0,0,0,0|2,0,0]=4 6270 B11R0.3 O=CCCCCSCCCCO 62a_100000139335_100000210776 [2,0,0,0,0,0|2,0,0]=4 6271 B11R0.3 O=CCCCCSCCCCO 62a_100000210776_100000139335 [2,0,0,0,0,0|2,0,0]=4 6272 B11R0.3 O=CCCCNCCCCCO 2230a_100000762737_200011292268 [2,0,0,0,0,0|2,0,0]=4 6273 B11R0.3 O=CCCCOCCCCCBr 7a_100000746331_200011292268 [2,0,0,0,0,0|2,0,0]=4 6274 B11R0.3 O=CCCCOCCCCCCl 7a_100000746330_200011292268 [2,0,0,0,0,0|2,0,0]=4 6275 B11R0.3 O=CCCCOCCCCCI 7a_200012148887_200011292268 [2,0,0,0,0,0|2,0,0]=4 6276 B11R0.3 O=CCCCSCCCCCF 62a_100000729378_200011292268 [2,0,0,0,0,0|2,0,0]=4 6277 B11R0.3 O=CCCCSCCCCCF 62a_200011292268_100000729378 [2,0,0,0,0,0|2,0,0]=4 6278 B11R0.3 O=CCCCSCCCCCO 62a_100000746330_200011292268 [2,0,0,0,0,0|2,0,0]=4 6279 B11R0.3 O=CCCCSCCCCCO 62a_200011292268_100000746330 [2,0,0,0,0,0|2,0,0]=4 6280 B11R0.3 O=CCNCCCCCCCO 2230a_100011996573_200015260668 [2,0,0,0,0,0|2,0,0]=4 6281 B11R0.3 O=CCNCCCCCCCO 34a_100011996573_200009817547 [2,0,0,0,0,0|2,0,0]=4 6282 B11R0.3 O=CCOCCCCCCCBr 34a_100000760002_200009817547 [2,0,0,0,0,0|2,0,0]=4 6283 B11R0.3 O=CCOCCCCCCCBr 7a_100000760002_200015260668 [2,0,0,0,0,0|2,0,0]=4 6284 B11R0.3 O=CCSCCCCCCCO 62a_100000760002_200015260668 [2,0,0,0,0,0|2,0,0]=4 6285 B11R0.3 O=CCSCCCCCCCO 62a_200015260668_100000760002 [2,0,0,0,0,0|2,0,0]=4 6286 B11R0.3 OCCCCCCOCCCCl 34a_100000230001_100000766143 [2,0,0,0,0,0|2,0,0]=4 6287 B11R0.3 OCCCCCOCCCCCl 34a_100000210776_100000746330 [2,0,0,0,0,0|2,0,0]=4 6288 B11R0.3 OCCCCCOCCCCCl 7a_100000210776_100000746330 [2,0,0,0,0,0|2,0,0]=4 6289 B11R0.3 OCCCCOCCCCCCl 34a_100000746330_100011216708 [2,0,0,0,0,0|2,0,0]=4 6290 B11R0.3 OCCCCOCCCCCCl 7a_100000746330_100000210776 [2,0,0,0,0,0|2,0,0]=4 6291 B11R0.3 OCCCOCCCCCCCl 34a_100000766143_100000230001 [2,0,0,0,0,0|2,0,0]=4 6292 B11R0.3 OCCCOCCCCCCCl 7a_100000766143_100011215043 [2,0,0,0,0,0|2,0,0]=4 6293 B11R0.3 [13CH3]NCCCCCCCCCO 2230a_100000078944_200025704644 [2,0,0,0,0,0|1,0,1]=4 6294 B11R0.3 [13CH3]NCCCCCCCCCO 34a_100000078944_200025704644 [2,0,0,0,0,0|1,0,1]=4 6295 B11R0.3 [13CH3]OCCCCCCCCCBr 34a_100009813782_200025704644 [2,0,0,0,0,0|1,1,0]=4 6296 B11R0.3 [13CH3]OCCCCCCCCCBr 7a_100009813782_200025704644 [2,0,0,0,0,0|1,1,0]=4 6297 B11R0.3 [13CH3]OCCCCCCCCCCl 34a_100009868337_200025704644 [2,0,0,0,0,0|1,0,0]=3 6298 B11R0.3 [13CH3]OCCCCCCCCCCl 7a_100009868337_200025704644 [2,0,0,0,0,0|1,0,0]=3 6299 B11R0.3 [13CH3]OCCCCCCCCCN 34a_100000078944_200025704644 [2,0,0,0,0,0|2,0,0]=4 6300 B11R0.3 [13CH3]SCCCCCCCCCO 62a_100009813782_200025704644 [2,0,0,0,0,0|1,0,1]=4 6301 B11R0.3 [13CH3]SCCCCCCCCCO 62a_200025704644_100009813782 [2,0,0,0,0,0|1,0,1]=4 6302 B11R0.148 CC(=O)CCCCCCCCO 1458a_100000070787_100000033203 [2,0,0,0,0,0|2,0,0]=4 6303 B11R0.148 CCCCCCCCCC(=O)C 1458a_100000070787_100000210670 [2,0,0,0,0,0|1,0,0]=3 6304 B11R0.148 CCCCCCCCCC(=O)C 1458a_100000210558_200000210301 [2,0,0,0,0,0|1,0,0]=3 6305 B11R0.148 CCCCCCCCCC(=O)[13CH3] 1458a_100000210558_200025704644 [2,0,0,0,0,0|1,0,0]=3 6306 B11R0.148 CCCCCCCCNC(=O)C 11a_100000229939_100015343762 [2,0,0,0,0,0|2,0,0]=4 6307 B11R0.148 CCCCCCCCNC(=O)C 1626a_100000229939_100015343762 [2,0,0,0,0,0|2,0,0]=4 6308 B11R0.148 CCCCCCCCNC(=O)C 240690a_100000229939_100015343762 [2,0,0,0,0,0|2,0,0]=4 6309 B11R0.148 CCCCCCCCNC(=O)C 527a_100000229939_100103153847 [2,0,0,0,0,0|2,0,0]=4 6310 B11R0.148 CCCCCCCNCC(=O)N 2230a_100000229938_100000747473 [2,0,0,0,0,0|2,0,0]=4 6311 B11R0.148 CCCCCCCNCC(=O)N 2230a_100000711301_100000210681 [2,0,0,0,0,0|2,0,0]=4 6312 B11R0.148 CCCCCCCNCC(=O)O 269956a_100016091260_100000210614 [2,0,0,0,0,0|2,0,0]=4 6313 B11R0.148 CCCCCCCOCC(=O)C 34a_100000211253_100000210614 [2,0,0,0,0,0|2,0,0]=4 6314 B11R0.148 CCCCCCCOCC(=O)N 34a_100000210272_100000187820 [2,0,0,0,0,0|2,0,0]=4 6315 B11R0.148 CCCCCCCOCC(=O)N 7a_100000210272_100000187820 [2,0,0,0,0,0|2,0,0]=4 6316 B11R0.148 CCCCCCCOCC(=O)[O-] 34a_100000210272_100020667443 [2,0,0,0,0,0|2,0,0]=4 6317 B11R0.148 CCCCCCCSCC(=O)N 62a_100000210614_100000747473 [2,0,0,0,0,0|2,0,0]=4 6318 B11R0.148 CCCCCCCSCC(=O)N 62a_100000747473_100000210316 [2,0,0,0,0,0|2,0,0]=4 6319 B11R0.148 CCCCCCCSCC(=O)[O-] 62a_100000210614_100020667443 [2,0,0,0,0,0|2,0,0]=4 6320 B11R0.148 CCCCCCCSCC(=O)[O-] 62a_100020667443_100000210316 [2,0,0,0,0,0|2,0,0]=4 6321 B11R0.148 CCCCCCNCCC(=O)N 2230a_100000210581_100000744528 [2,0,0,0,0,0|2,0,0]=4 6322 B11R0.148 CCCCCCOCCC(=O)C 34a_100000759926_100000210314 [2,0,0,0,0,0|2,0,0]=4 6323 B11R0.148 CCCCCCOCCC(=O)C 7a_100000210259_100000053229 [2,0,0,0,0,0|2,0,0]=4 6324 B11R0.148 CCCCCCOCCC(=O)C 7a_100000759926_100000210314 [2,0,0,0,0,0|2,0,0]=4 6325 B11R0.148 CCCCCCOCCC(=O)N 34a_100000210259_100000731001 [2,0,0,0,0,0|2,0,0]=4 6326 B11R0.148 CCCCCCOCCC(=O)N 34a_100000757172_100000210314 [2,0,0,0,0,0|2,0,0]=4 6327 B11R0.148 CCCCCCOCCC(=O)N 7a_100000210259_100000744528 [2,0,0,0,0,0|2,0,0]=4 6328 B11R0.148 CCCCCCOCCC(=O)N 7a_100000757172_100000210314 [2,0,0,0,0,0|2,0,0]=4 6329 B11R0.148 CCCCCCSCCC(=O)C 62a_100000053229_100000210757 [2,0,0,0,0,0|2,0,0]=4 6330 B11R0.148 CCCCCCSCCC(=O)C 62a_100000210314_100000053229 [2,0,0,0,0,0|2,0,0]=4 6331 B11R0.148 CCCCCCSCCC(=O)N 62a_100000210314_100000744528 [2,0,0,0,0,0|2,0,0]=4 6332 B11R0.148 CCCCCCSCCC(=O)N 62a_100000744528_100000210757 [2,0,0,0,0,0|2,0,0]=4 6333 B11R0.148 CCCCCNCCCC(=O)N 34a_100000739312_100000718602 [2,0,0,0,0,0|2,0,0]=4 6334 B11R0.148 CCCCCOCCCC(=O)C 34a_100000210253_100000685027 [2,0,0,0,0,0|2,0,0]=4 6335 B11R0.148 CCCCCOCCCC(=O)C 34a_100000759063_100000718602 [2,0,0,0,0,0|2,0,0]=4 6336 B11R0.148 CCCCCOCCCC(=O)C 7a_100000210253_100011215641 [2,0,0,0,0,0|2,0,0]=4 6337 B11R0.148 CCCCCOCCCC(=O)C 7a_100000759063_100000210326 [2,0,0,0,0,0|2,0,0]=4 6338 B11R0.148 CCCCCOCCCC(=O)N 34a_100000210253_100102525003 [2,0,0,0,0,0|2,0,0]=4 6339 B11R0.148 CCCCCOCCCC(=O)N 7a_100000210253_100102525003 [2,0,0,0,0,0|2,0,0]=4 6340 B11R0.148 CCCCCSCCCC(=O)C 62a_100000210326_100011215641 [2,0,0,0,0,0|2,0,0]=4 6341 B11R0.148 CCCCCSCCCC(=O)C 62a_100011215641_100000210326 [2,0,0,0,0,0|2,0,0]=4 6342 B11R0.148 CCCCCSCCCC(=O)N 62a_100000210326_100102525003 [2,0,0,0,0,0|2,0,0]=4 6343 B11R0.148 CCCCCSCCCC(=O)N 62a_100102525003_100000210326 [2,0,0,0,0,0|2,0,0]=4 6344 B11R0.148 CCCCNCCCCC(=O)C 7a_106832991798_100000735457 [2,0,0,0,0,0|2,0,0]=4 6345 B11R0.148 CCCCNCCCCC(=O)N 34a_100000696515_100000210210 [2,0,0,0,0,0|2,0,0]=4 6346 B11R0.148 CCCCOCCCCC(=O)C 34a_100000210227_100009817362 [2,0,0,0,0,0|2,0,0]=4 6347 B11R0.148 CCCCOCCCCC(=O)C 7a_100000210227_100000735457 [2,0,0,0,0,0|2,0,0]=4 6348 B11R0.148 CCCCOCCCCC(=O)N 34a_100012022536_100000210210 [2,0,0,0,0,0|2,0,0]=4 6349 B11R0.148 CCCCOCCCCC(=O)N 7a_100012022536_100000210211 [2,0,0,0,0,0|2,0,0]=4 6350 B11R0.148 CCCCSCCCCC(=O)C 62a_100000210211_100000735457 [2,0,0,0,0,0|2,0,0]=4 6351 B11R0.148 CCCCSCCCCC(=O)C 62a_100000735457_100000210210 [2,0,0,0,0,0|2,0,0]=4 6352 B11R0.148 CCCOCCCCCC(=O)N 34a_100000123541_100000210303 [2,0,0,0,0,0|2,0,0]=4 6353 B11R0.148 CCCOCCCCCC(=O)N 34a_100000210258_100009817443 [2,0,0,0,0,0|2,0,0]=4 6354 B11R0.148 CCCOCCCCCC(=O)N 7a_100000123541_100000210303 [2,0,0,0,0,0|2,0,0]=4 6355 B11R0.148 CCCOCCCCCC(=O)[O-] 7a_100102619762_100000210303 [2,0,0,0,0,0|2,0,0]=4 6356 B11R0.148 CCCSCCCCCC(=O)N 62a_100000210303_100009817443 [2,0,0,0,0,0|2,0,0]=4 6357 B11R0.148 CCCSCCCCCC(=O)N 62a_100009817443_100000210303 [2,0,0,0,0,0|2,0,0]=4 6358 B13R0.2 C=CCC(=O)CCCCCCCCC 1458a_100000210193_100000210670 [1,1,0,0,0,0|1,0,1]=4 6359 B13R0.2 C=CCC(=O)CCCCCCCCC 1458a_100000210558_100000210623 [1,1,0,0,0,0|1,0,1]=4 6360 B13R0.2 C=CCC(C)COCCCCCCC 34a_100009832082_100000210614 [1,1,0,0,0,0|2,0,0]=4 6361 B13R0.2 C=CCC(C)COCCCCCCC 7a_100009832082_100000210614 [1,1,0,0,0,0|2,0,0]=4 6362 B13R0.2 C=CCCCCCCCC(=O)CCC 1458a_100000211992_100012355270 [1,1,0,0,0,0|1,0,1]=4 6363 B13R0.2 C=CCCCCCCCC(=O)CCC 1458a_100011216160_100000210303 [1,1,0,0,0,0|1,0,1]=4 6364 B13R0.2 C=CCCCCCCCN(C)CCC 2230a_100000747261_100012355270 [1,1,0,0,0,0|2,0,0]=4 6365 B13R0.2 C=CCCCCCCCN(C)CCC 269982a_100000747261_100012355270 [1,1,0,0,0,0|2,0,0]=4 6366 B13R0.2 C=CCCCCCCNC(C)CCC 2230a_100000741246_100011215473 [1,1,0,0,0,0|2,0,0]=4 6367 B13R0.2 C=CCCCCCCOC(C)CCC 34a_100000764384_100011215473 [1,1,0,0,0,0|2,0,0]=4 6368 B13R0.2 C=CCCCCCCOC(C)CCC 34a_200011216477_100000766640 [1,1,0,0,0,0|2,0,0]=4 6369 B13R0.2 C=CCCCCCCOC(C)CCC 7a_100000764384_100011215473 [1,1,0,0,0,0|2,0,0]=4 6370 B13R0.2 C=CCCCCCCOC(C)CCC 7a_200011216477_100000766640 [1,1,0,0,0,0|2,0,0]=4 6371 B13R0.2 C=CCCCCCOCC(C)CCC 34a_100000688023_100000700193 [1,1,0,0,0,0|2,0,0]=4 6372 B13R0.2 C=CCCCCCOCC(C)CCC 34a_100011216702_100011216630 [1,1,0,0,0,0|2,0,0]=4 6373 B13R0.2 C=CCCCCCOCC(C)CCC 7a_100000688023_100000700193 [1,1,0,0,0,0|2,0,0]=4 6374 B13R0.2 C=CCCCCCOCC(C)CCC 7a_100011216702_100011216630 [1,1,0,0,0,0|2,0,0]=4 6375 B13R0.2 C=CCCCCCOC[C@@H](N)CCC 34a_100000732646_100000700193 [1,1,0,0,0,0|2,0,0]=4 6376 B13R0.2 C=CCCCCCSCC(C)CCC 62a_100000700193_100011216630 [1,1,0,0,0,0|2,0,0]=4 6377 B13R0.2 C=CCCCCCSCC(C)CCC 62a_100011216630_100000700193 [1,1,0,0,0,0|2,0,0]=4 6378 B13R0.2 C=CCCCCOCCC(C)CCC 34a_100011217855_100011215482 [1,1,0,0,0,0|2,0,0]=4 6379 B13R0.2 C=CCCCCOCCC(C)CCC 7a_100011217855_100011215482 [1,1,0,0,0,0|2,0,0]=4 6380 B13R0.2 C=CCCCCOCC[C@@H](N)CCC 34a_100015193777_100011215482 [1,1,0,0,0,0|2,0,0]=4 6381 B13R0.2 C=CCCCOCCCC(C)CCC 34a_100011713154_100000757094 [1,1,0,0,0,0|2,0,0]=4 6382 B13R0.2 C=CCCCOCCCC(C)CCC 7a_100011713154_100000757094 [1,1,0,0,0,0|2,0,0]=4 6383 B13R0.2 C=CCN(C)CCCCCCCCC 2230a_100000225617_100011214924 [1,1,0,0,0,0|2,0,0]=4 6384 B13R0.2 C=CCN(C)CCCCCCCCC 2230a_100000232482_100000210623 [1,1,0,0,0,0|2,0,0]=4 6385 B13R0.2 C=CCN(C)CCCCCCCCC 269982a_100000225617_100000210670 [1,1,0,0,0,0|2,0,0]=4 6386 B13R0.2 C=CCN(C)CCCCCCCCC 269982a_100000232482_100000210623 [1,1,0,0,0,0|2,0,0]=4 6387 B13R0.2 C=CC[C@@H](C)OCCCCCCCC 34a_100000731007_100000210759 [1,1,0,0,0,0|2,0,0]=4 6388 B13R0.2 C=CC[C@@H](C)OCCCCCCCC 7a_100000731007_100000210759 [1,1,0,0,0,0|2,0,0]=4 6389 B13R0.2 C=CC[C@@H](N)COCCCCCCC 34a_100020615467_100000210614 [1,1,0,0,0,0|2,0,0]=4 6390 B13R0.2 CCCC(=O)CSCCCCCC=O 62a_100000139337_100000747444 [1,1,0,0,0,0|1,0,1]=4 6391 B13R0.2 CCCC(=O)CSCCCCCC=O 62a_100000747444_100000139337 [1,1,0,0,0,0|1,0,1]=4 6392 B13R0.2 CCCC(C)CCCOCCCC=O 7a_100011713154_200011292268 [1,1,0,0,0,0|1,0,0]=3 6393 B13R0.2 CCCC(C)CCOCCCCC=O 7a_100011217855_100000139335 [1,1,0,0,0,0|1,0,0]=3 6394 B13R0.2 CCCC(C)COCCCCCC=O 7a_100000688023_100000139337 [1,1,0,0,0,0|1,0,0]=3 6395 B13R0.2 CCCC(C)COCCCCCCCl 34a_100000766143_100011216630 [1,1,0,0,0,0|1,0,1]=4 6396 B13R0.2 CCCC(C)COCCCCCCCl 7a_100000766143_100011216630 [1,1,0,0,0,0|1,0,1]=4 6397 B13R0.2 CCCC(C)CSCCCCCC=O 62a_100000139337_100011216630 [1,1,0,0,0,0|1,0,0]=3 6398 B13R0.2 CCCC(C)CSCCCCCC=O 62a_100011216630_100000139337 [1,1,0,0,0,0|1,0,0]=3 6399 B13R0.2 CCCCCCCCCC(=O)C=CCl 1458a_200016279998_100000210670 [1,1,0,0,0,0|0,0,2]=4 6400 B13R0.2 CCCCCCCCCC(C)CNC 270004a_106832991635_200011218516 [1,1,0,0,0,0|2,0,0]=4 6401 B13R0.2 CCCCCCCCCN(C)CC=O 2230a_100000232482_200015260668 [1,1,0,0,0,0|1,0,0]=3 6402 B13R0.2 CCCCCCCCCN(C)CC=O 269982a_100000232482_200015260668 [1,1,0,0,0,0|1,0,0]=3 6403 B13R0.2 COCC(O)CNCCCCCC=O 2230a_100000756049_100000139337 [1,1,0,0,0,0|2,0,0]=4 6404 B13R0.2 COCC(O)CSCCCCCC=O 62a_100000139337_100011215053 [1,1,0,0,0,0|2,0,0]=4 6405 B13R0.2 COCC(O)CSCCCCCC=O 62a_100011215053_100000139337 [1,1,0,0,0,0|2,0,0]=4 6406 B13R0.66 C=CCCC(=O)CCCCCCCC 1458a_100000210188_100000754431 [1,1,0,0,0,0|1,0,1]=4 6407 B13R0.66 C=CCCC(=O)CCCCCCCC 1458a_100000749702_100000210759 [1,1,0,0,0,0|1,0,1]=4 6408 B13R0.66 C=CCCC(C)NCCCCCCC 270004a_100000229938_100000762624 [1,1,0,0,0,0|2,0,0]=4 6409 B13R0.66 C=CCCC(C)OCCCCCCC 34a_100000765329_100000210614 [1,1,0,0,0,0|2,0,0]=4 6410 B13R0.66 C=CCCC(C)OCCCCCCC 7a_100000765329_100000210614 [1,1,0,0,0,0|2,0,0]=4 6411 B13R0.66 C=CCCCCCCC(=O)CCCC 1458a_100000210183_100011215473 [1,1,0,0,0,0|1,0,1]=4 6412 B13R0.66 C=CCCCCCCC(=O)CCCC 1458a_100011809334_100000210211 [1,1,0,0,0,0|1,0,1]=4 6413 B13R0.66 C=CCCCCCCN(C)CCCC 2230a_100000207549_100011215473 [1,1,0,0,0,0|2,0,0]=4 6414 B13R0.66 C=CCCCCCCN(C)CCCC 269982a_100000207549_100011215473 [1,1,0,0,0,0|2,0,0]=4 6415 B13R0.66 C=CCCCCCNC(C)CCCC 2230a_100000126638_100000700193 [1,1,0,0,0,0|2,0,0]=4 6416 B13R0.66 C=CCCCCCOC(C)CCCC 34a_100000687866_100000700193 [1,1,0,0,0,0|2,0,0]=4 6417 B13R0.66 C=CCCCCCOC(C)CCCC 34a_100011216702_200011215066 [1,1,0,0,0,0|2,0,0]=4 6418 B13R0.66 C=CCCCCCOC(C)CCCC 7a_100000687866_100000700193 [1,1,0,0,0,0|2,0,0]=4 6419 B13R0.66 C=CCCCCCOC(C)CCCC 7a_100011216702_200011215066 [1,1,0,0,0,0|2,0,0]=4 6420 B13R0.66 C=CCCCCOCC(C)CCCC 34a_100011995851_100011215482 [1,1,0,0,0,0|2,0,0]=4 6421 B13R0.66 C=CCCCCOCC(C)CCCC 7a_100011995851_100011215482 [1,1,0,0,0,0|2,0,0]=4 6422 B13R0.66 C=CCCCCOC[C@@H](N)CCCC 34a_100011934283_100011215482 [1,1,0,0,0,0|2,0,0]=4 6423 B13R0.66 C=CCCN(C)CCCCCCCC 2230a_100000207567_100000754431 [1,1,0,0,0,0|2,0,0]=4 6424 B13R0.66 C=CCCN(C)CCCCCCCC 2230a_100020639649_100000210759 [1,1,0,0,0,0|2,0,0]=4 6425 B13R0.66 C=CCCN(C)CCCCCCCC 269982a_100000207567_100000754431 [1,1,0,0,0,0|2,0,0]=4 6426 B13R0.66 C=CCCN(C)CCCCCCCC 269982a_100020639649_100000210759 [1,1,0,0,0,0|2,0,0]=4 6427 B13R0.66 C=CCNC(C)CCCCCCCC 270004a_100020586998_100011216694 [1,1,0,0,0,0|2,0,0]=4 6428 B13R0.66 C=CCOC(C)CCCCCCCC 34a_100000210740_100015514636 [1,1,0,0,0,0|2,0,0]=4 6429 B13R0.66 C=CCOC(C)CCCCCCCC 7a_100000210740_100015514636 [1,1,0,0,0,0|2,0,0]=4 6430 B13R0.66 C=CCOCCCCC(C)CCCC 34a_200011021034_100015514636 [1,1,0,0,0,0|2,0,0]=4 6431 B13R0.66 C=CCOCCCCC(C)CCCC 7a_200011021034_100015514636 [1,1,0,0,0,0|2,0,0]=4 6432 B13R0.66 CC(CCCCl)OCCCCCC=O 7a_200000718107_100000139337 [1,1,0,0,0,0|2,0,0]=4 6433 B13R0.66 CCCCC(C)CCCCOCC=O 34a_200011021034_200009817547 [1,1,0,0,0,0|1,0,0]=3 6434 B13R0.66 CCCCC(C)CCCCOCC=O 7a_200011021034_200015260668 [1,1,0,0,0,0|1,0,0]=3 6435 B13R0.66 CCCCC(C)COCCCCC=O 7a_100011995851_100000139335 [1,1,0,0,0,0|1,0,0]=3 6436 B13R0.66 CCCCC(C)NCCCCCC=O 2230a_100000126638_100000139337 [1,1,0,0,0,0|1,0,0]=3 6437 B13R0.66 CCCCC(C)OCCCCCC=O 7a_100000687866_100000139337 [1,1,0,0,0,0|1,0,0]=3 6438 B13R0.66 CCCCC(C)OCCCCCCCl 34a_100000766143_200011215066 [1,1,0,0,0,0|1,0,1]=4 6439 B13R0.66 CCCCC(C)OCCCCCCCl 7a_100000766143_200011215066 [1,1,0,0,0,0|1,0,1]=4 6440 B13R0.66 CCCCC(C)SCCCCCC=O 62a_100000139337_200011215066 [1,1,0,0,0,0|1,0,0]=3 6441 B13R0.66 CCCCC(C)SCCCCCC=O 62a_200011215066_100000139337 [1,1,0,0,0,0|1,0,0]=3 6442 B13R0.66 CCCCCCCCC(C)OCC=O 34a_100000210740_200009817547 [1,1,0,0,0,0|1,0,0]=3 6443 B13R0.66 CCCCCCCCC(C)OCC=O 7a_100000210740_200015260668 [1,1,0,0,0,0|1,0,0]=3 6444 B13R0.66 CCCCCCCOC(C)CCCCl 34a_200000718107_100000210614 [1,1,0,0,0,0|1,0,1]=4 6445 B13R0.66 CCCCCCCOC(C)CCCCl 7a_200000718107_100000210614 [1,1,0,0,0,0|1,0,1]=4 6446 B13R0.66 CCCOC(C)CNCCCCC=O 2230a_100015185124_100000139335 [1,1,0,0,0,0|2,0,0]=4 6447 B13R0.66 CCOCC(C)OCCCCCC=O 7a_100000718985_100000139337 [1,1,0,0,0,0|2,0,0]=4 6448 B13R0.66 CCOCC(O)CNCCCCC=O 2230a_102515437182_100000139335 [1,1,0,0,0,0|2,0,0]=4 6449 B13R0.66 C[C@H](CCCO)CNCCCCC=O 2230a_100160569302_100000139335 [1,1,0,0,0,0|2,0,0]=4 6450 B13R0.147 C=CC(=O)CCCCCCCCCC 1458a_100000185746_100000210319 [1,1,0,0,0,0|1,0,1]=4 6451 B13R0.147 C=CC(C)COCCCCCCCC 34a_100011215527_100000210759 [1,1,0,0,0,0|2,0,0]=4 6452 B13R0.147 C=CC(C)COCCCCCCCC 7a_100011215527_100000210759 [1,1,0,0,0,0|2,0,0]=4 6453 B13R0.147 C=CC(C)OCCCCCCCCC 34a_100000695699_100011214924 [1,1,0,0,0,0|2,0,0]=4 6454 B13R0.147 C=CC(O)CNCCCCCCCC 2230a_100000229939_100000730141 [1,1,0,0,0,0|2,0,0]=4 6455 B13R0.147 C=CC(O)CNCCCCCCCC 34a_100000229939_100000730141 [1,1,0,0,0,0|2,0,0]=4 6456 B13R0.147 C=CC(O)COCCCCCCCC 34a_100000210232_100000730141 [1,1,0,0,0,0|2,0,0]=4 6457 B13R0.147 C=CC(O)COCCCCCCCC 7a_100000210232_100000730141 [1,1,0,0,0,0|2,0,0]=4 6458 B13R0.147 C=CC(O)CSCCCCCCCC 62a_100000210759_100000730141 [1,1,0,0,0,0|2,0,0]=4 6459 B13R0.147 C=CC(O)CSCCCCCCCC 62a_100000730141_100000210317 [1,1,0,0,0,0|2,0,0]=4 6460 B13R0.147 C=CCCCCCCCCC(=O)CC 1458a_100000210414_100011933949 [1,1,0,0,0,0|1,0,1]=4 6461 B13R0.147 C=CCCCCCCCCC(=O)CC 1458a_100000211349_100000210202 [1,1,0,0,0,0|1,0,1]=4 6462 B13R0.147 C=CCCCCCCCCN(C)CC 2230a_100000225621_100011933949 [1,1,0,0,0,0|2,0,0]=4 6463 B13R0.147 C=CCCCCCCCCN(C)CC 269982a_100000225621_100011933949 [1,1,0,0,0,0|2,0,0]=4 6464 B13R0.147 C=CCCCCCCCNC(C)CC 2230a_100000209981_100012355270 [1,1,0,0,0,0|2,0,0]=4 6465 B13R0.147 C=CCCCCCCCOC(C)CC 34a_100000730831_100011215416 [1,1,0,0,0,0|2,0,0]=4 6466 B13R0.147 C=CCCCCCCCOC(C)CC 7a_100000210228_100012355270 [1,1,0,0,0,0|2,0,0]=4 6467 B13R0.147 C=CCCCCCCCOC(C)CC 7a_100000730831_100000758301 [1,1,0,0,0,0|2,0,0]=4 6468 B13R0.147 C=CCCCCCCNCC(C)CC 2230a_100020588543_100011215473 [1,1,0,0,0,0|2,0,0]=4 6469 B13R0.147 C=CCCCCCCNCC(O)CC 2230a_100011218483_100011215473 [1,1,0,0,0,0|2,0,0]=4 6470 B13R0.147 C=CCCCCCCOCC(C)CC 34a_200011216477_100000748023 [1,1,0,0,0,0|2,0,0]=4 6471 B13R0.147 C=CCCCCCCOCC(C)CC 7a_200011216477_100000748023 [1,1,0,0,0,0|2,0,0]=4 6472 B13R0.147 C=CCCCCCCOCC(O)CC 34a_200011216477_100011218378 [1,1,0,0,0,0|2,0,0]=4 6473 B13R0.147 C=CCCCCCCOCC(O)CC 7a_200011216477_100011218378 [1,1,0,0,0,0|2,0,0]=4 6474 B13R0.147 C=CCCCCCCOC[C@@H](C)CC 34a_200011216477_100009816398 [1,1,0,0,0,0|2,0,0]=4 6475 B13R0.147 C=CCCCCCCOC[C@@H](C)CC 7a_100009816381_100011215473 [1,1,0,0,0,0|2,0,0]=4 6476 B13R0.147 C=CCCCCCCOC[C@@H](C)CC 7a_200011216477_100009816398 [1,1,0,0,0,0|2,0,0]=4 6477 B13R0.147 C=CCCCCCCSCC(C)CC 62a_100000748023_100011215473 [1,1,0,0,0,0|2,0,0]=4 6478 B13R0.147 C=CCCCCCCSCC(C)CC 62a_100011215473_100000748023 [1,1,0,0,0,0|2,0,0]=4 6479 B13R0.147 C=CCCCCCCSCC(O)CC 62a_100011215473_100011218378 [1,1,0,0,0,0|2,0,0]=4 6480 B13R0.147 C=CCCCCCCSCC(O)CC 62a_100011218378_100011215473 [1,1,0,0,0,0|2,0,0]=4 6481 B13R0.147 C=CCCCCCCSC[C@@H](C)CC 62a_100009816398_100011215473 [1,1,0,0,0,0|2,0,0]=4 6482 B13R0.147 C=CCCCCCCSC[C@@H](C)CC 62a_100011215473_100009816398 [1,1,0,0,0,0|2,0,0]=4 6483 B13R0.147 C=CCCCCCNCCC(C)CC 2230a_100020591266_100000700193 [1,1,0,0,0,0|2,0,0]=4 6484 B13R0.147 C=CCCCCCOCCC(C)CC 7a_100011215188_100000700193 [1,1,0,0,0,0|2,0,0]=4 6485 B13R0.147 C=CCCCCOCCCC(C)CC 7a_100011216074_100011215482 [1,1,0,0,0,0|2,0,0]=4 6486 B13R0.147 C=CCCOCCCCCC(C)CC 7a_200000035636_100000754431 [1,1,0,0,0,0|2,0,0]=4 6487 B13R0.147 C=C[C@H](N)COCCCCCCCC 34a_100016989147_100000210759 [1,1,0,0,0,0|2,0,0]=4 6488 B13R0.147 CC(CO)CCNCCCCCC=O 2230a_106354213184_100000139337 [1,1,0,0,0,0|2,0,0]=4 6489 B13R0.147 CCC(C)CCCOCCCCC=O 7a_100011216074_100000139335 [1,1,0,0,0,0|1,0,0]=3 6490 B13R0.147 CCC(C)CCNCCCCCC=O 2230a_100020591266_100000139337 [1,1,0,0,0,0|1,0,0]=3 6491 B13R0.147 CCC(C)CCOCCCCCC=O 7a_100011215188_100000139337 [1,1,0,0,0,0|1,0,0]=3 6492 B13R0.147 CCC(C)OCCCCCCCCCl 34a_100000033203_100011215416 [1,1,0,0,0,0|1,0,1]=4 6493 B13R0.147 CCC(C)OCCCCCCCCCl 7a_100000033203_100000758301 [1,1,0,0,0,0|1,0,1]=4 6494 B13R0.147 CCCCCCCCCCC(C)NC 270004a_106832991635_200011219864 [1,1,0,0,0,0|2,0,0]=4 6495 B13R0.147 CCCCCCCCCCC(C)OC 34a_100011215000_200000210301 [1,1,0,0,0,0|2,0,0]=4 6496 B13R0.147 CCCCCCCCCCC(C)OC 7a_100011215000_200000210301 [1,1,0,0,0,0|2,0,0]=4 6497 B13R0.147 CCCCCCCCCCC(C)O[13CH3] 34a_100011215000_200025704644 [1,1,0,0,0,0|2,0,0]=4 6498 B13R0.147 CCCCCCCCCCC(C)O[13CH3] 7a_100011215000_200025704644 [1,1,0,0,0,0|2,0,0]=4 6499 B13R0.147 CCCCCCCCOCC(Cl)CCl 34a_100000033668_100000210759 [1,1,0,0,0,0|1,0,1]=4 6500 B13R0.147 CCN(C)CCCSCCCCC=O 62a_100000139335_100015186262 [1,1,0,0,0,0|2,0,0]=4 6501 B13R0.147 COC(C)CCOCCCCCC=O 7a_100000764861_100000139337 [1,1,0,0,0,0|2,0,0]=4 6502 B13R0.165 C=CCCCCC(=O)CCCCCC 1458a_100011215552_100000210757 [1,1,0,0,0,0|1,0,1]=4 6503 B13R0.165 C=CCCCCC(=O)CCCCCC 1458a_100102632555_100011215482 [1,1,0,0,0,0|1,0,1]=4 6504 B13R0.165 C=CCCCCN(C)CCCCCC 2230a_100012000471_100000210314 [1,1,0,0,0,0|2,0,0]=4 6505 B13R0.165 C=CCCCCN(C)CCCCCC 2230a_106256046315_100011215482 [1,1,0,0,0,0|2,0,0]=4 6506 B13R0.165 C=CCCCCN(C)CCCCCC 269982a_100012000471_100000210757 [1,1,0,0,0,0|2,0,0]=4 6507 B13R0.165 C=CCCCCN(C)CCCCCC 269982a_106256046315_100011215482 [1,1,0,0,0,0|2,0,0]=4 6508 B13R0.165 C=CCCCNC(C)CCCCCC 2230a_100000210919_100011713584 [1,1,0,0,0,0|2,0,0]=4 6509 B13R0.165 C=CCCCNC(C)CCCCCC 2230a_100000700776_100011215978 [1,1,0,0,0,0|2,0,0]=4 6510 B13R0.165 C=CCCCNC(C)CCCCCC 270004a_100000700776_100000210826 [1,1,0,0,0,0|2,0,0]=4 6511 B13R0.165 C=CCCCNC(C)CCCCCC 34a_100000210919_100000757094 [1,1,0,0,0,0|2,0,0]=4 6512 B13R0.165 C=CCCCNC(C)CCCCCC 34a_100000700776_100011215978 [1,1,0,0,0,0|2,0,0]=4 6513 B13R0.165 C=CCCCOC(C)CCCCCC 34a_100000210265_100000757094 [1,1,0,0,0,0|2,0,0]=4 6514 B13R0.165 C=CCCCOC(C)CCCCCC 34a_100000758997_100011215978 [1,1,0,0,0,0|2,0,0]=4 6515 B13R0.165 C=CCCCOC(C)CCCCCC 7a_100000210265_100000757094 [1,1,0,0,0,0|2,0,0]=4 6516 B13R0.165 C=CCCCOC(C)CCCCCC 7a_100000758997_100011215978 [1,1,0,0,0,0|2,0,0]=4 6517 B13R0.165 C=CCOCCC(C)CCCCCC 34a_200011024964_100015514636 [1,1,0,0,0,0|2,0,0]=4 6518 B13R0.165 C=CCOCCC(C)CCCCCC 7a_200011024964_100015514636 [1,1,0,0,0,0|2,0,0]=4 6519 B13R0.165 CCCCCCC(C)CCOCC=O 34a_200011024964_200009817547 [1,1,0,0,0,0|1,0,0]=3 6520 B13R0.165 CCCCCCC(C)CCOCC=O 7a_200011024964_200015260668 [1,1,0,0,0,0|1,0,0]=3 6521 B13R0.165 CCCCCCC(C)NCCCC=O 2230a_100000210919_200011292268 [1,1,0,0,0,0|1,0,0]=3 6522 B13R0.165 CCCCCCC(C)OCCCC=O 7a_100000210265_200011292268 [1,1,0,0,0,0|1,0,0]=3 6523 B13R0.165 CCCCCCC(C)OCCCCCl 34a_100000210776_100011215978 [1,1,0,0,0,0|1,0,1]=4 6524 B13R0.165 CCCCCCC(C)OCCCCCl 7a_100000210776_100011215978 [1,1,0,0,0,0|1,0,1]=4 6525 B13R0.165 CCCCCCC(C)SCCCC=O 62a_100011215978_200011292268 [1,1,0,0,0,0|1,0,0]=3 6526 B13R0.165 CCCCCCC(C)SCCCC=O 62a_200011292268_100011215978 [1,1,0,0,0,0|1,0,0]=3 6527 B13R0.165 CCCCCCN(C)CCCCC=O 2230a_106256046315_100000139335 [1,1,0,0,0,0|1,0,0]=3 6528 B13R0.165 CCCCCCN(C)CCCCC=O 269982a_106256046315_100000139335 [1,1,0,0,0,0|1,0,0]=3 6529 B13R0.165 CCCCOCC(C)OCCCC=O 7a_100011217071_200011292268 [1,1,0,0,0,0|2,0,0]=4 6530 B13R0.165 CN(CCCCC=O)CCCCCO 2230a_100000722520_100000139335 [1,1,0,0,0,0|2,0,0]=4 6531 B13R0.165 CN(CCCCC=O)CCCCCO 269982a_100000722520_100000139335 [1,1,0,0,0,0|2,0,0]=4 6532 B13R0.336 C#CCCCCCCCCCCOC 34a_100000054667_200000210301 [1,1,0,0,0,0|1,0,1]=4 6533 B13R0.336 C#CCCCCCCCCCCOC 7a_100000054667_200000210301 [1,1,0,0,0,0|1,0,1]=4 6534 B13R0.336 C#CCCCCCCCCCCO[13CH3] 34a_100000054667_200025704644 [1,1,0,0,0,0|1,0,1]=4 6535 B13R0.336 C#CCCCCCCCCCCO[13CH3] 7a_100000054667_200025704644 [1,1,0,0,0,0|1,0,1]=4 6536 B13R0.336 C#CCCCCCCCCCOCC 34a_100000034437_100000210202 [1,1,0,0,0,0|1,0,1]=4 6537 B13R0.336 C#CCCCCCCCCCOCC 7a_100000034437_100000210202 [1,1,0,0,0,0|1,0,1]=4 6538 B13R0.336 C#CCCCCCCCCOCC=O 34a_100000065265_200009817547 [1,1,0,0,0,0|0,0,2]=4 6539 B13R0.336 C#CCCCCCCCCOCC=O 7a_100000065265_200015260668 [1,1,0,0,0,0|0,0,2]=4 6540 B13R0.336 C#CCCCCCCCCOCCC 34a_100000065265_100000210303 [1,1,0,0,0,0|1,0,1]=4 6541 B13R0.336 C#CCCCCCCCCOCCC 7a_100000065265_100000210303 [1,1,0,0,0,0|1,0,1]=4 6542 B13R0.336 C#CCCCCCCCNCCCC 2230a_100000102301_100153394163 [1,1,0,0,0,0|1,0,1]=4 6543 B13R0.336 C#CCCCCCCCNCCCC 7a_106832991798_100153394163 [1,1,0,0,0,0|1,0,1]=4 6544 B13R0.336 C#CCCCCCCCOCCCC 34a_100000054614_100000210210 [1,1,0,0,0,0|1,0,1]=4 6545 B13R0.336 C#CCCCCCCCOCCCC 34a_100000210227_100153394163 [1,1,0,0,0,0|1,0,1]=4 6546 B13R0.336 C#CCCCCCCCOCCCC 7a_100000054614_100000210211 [1,1,0,0,0,0|1,0,1]=4 6547 B13R0.336 C#CCCCCCCCOCCCC 7a_100000210227_100153394163 [1,1,0,0,0,0|1,0,1]=4 6548 B13R0.336 C#CCCCCCCCSCCCC 62a_100000210211_100153394163 [1,1,0,0,0,0|1,0,1]=4 6549 B13R0.336 C#CCCCCCCCSCCCC 62a_100153394163_100000210210 [1,1,0,0,0,0|1,0,1]=4 6550 B13R0.336 C#CCCCCCCNCCCCC 2230a_100000209983_100012276617 [1,1,0,0,0,0|1,0,1]=4 6551 B13R0.336 C#CCCCCCCOCCCC=O 7a_100011217361_200011292268 [1,1,0,0,0,0|0,0,2]=4 6552 B13R0.336 C#CCCCCCCOCCCCC 34a_100000210253_100012276617 [1,1,0,0,0,0|1,0,1]=4 6553 B13R0.336 C#CCCCCCCOCCCCC 34a_100011217361_100000718602 [1,1,0,0,0,0|1,0,1]=4 6554 B13R0.336 C#CCCCCCCOCCCCC 7a_100000210253_100012276617 [1,1,0,0,0,0|1,0,1]=4 6555 B13R0.336 C#CCCCCCCOCCCCC 7a_100011217361_100000210326 [1,1,0,0,0,0|1,0,1]=4 6556 B13R0.336 C#CCCCCCCSCCCC=O 62a_100012276617_200011292268 [1,1,0,0,0,0|0,0,2]=4 6557 B13R0.336 C#CCCCCCCSCCCC=O 62a_200011292268_100012276617 [1,1,0,0,0,0|0,0,2]=4 6558 B13R0.336 C#CCCCCCCSCCCCC 62a_100000210326_100012276617 [1,1,0,0,0,0|1,0,1]=4 6559 B13R0.336 C#CCCCCCCSCCCCC 62a_100012276617_100000210326 [1,1,0,0,0,0|1,0,1]=4 6560 B13R0.336 C#CCCCCCNCCCCCC 2230a_100000210581_100012094781 [1,1,0,0,0,0|1,0,1]=4 6561 B13R0.336 C#CCCCCCOCCCCC=O 7a_100000766912_100000139335 [1,1,0,0,0,0|0,0,2]=4 6562 B13R0.336 C#CCCCCCOCCCCCC 34a_100000210259_100012094781 [1,1,0,0,0,0|1,0,1]=4 6563 B13R0.336 C#CCCCCCOCCCCCC 34a_100000766912_100000210314 [1,1,0,0,0,0|1,0,1]=4 6564 B13R0.336 C#CCCCCCOCCCCCC 7a_100000210259_100012094781 [1,1,0,0,0,0|1,0,1]=4 6565 B13R0.336 C#CCCCCCOCCCCCC 7a_100000766912_100000210314 [1,1,0,0,0,0|1,0,1]=4 6566 B13R0.336 C#CCCCCCSCCCCC=O 62a_100000139335_100012094781 [1,1,0,0,0,0|0,0,2]=4 6567 B13R0.336 C#CCCCCCSCCCCC=O 62a_100012094781_100000139335 [1,1,0,0,0,0|0,0,2]=4 6568 B13R0.336 C#CCCCCCSCCCCCC 62a_100000210314_100012094781 [1,1,0,0,0,0|1,0,1]=4 6569 B13R0.336 C#CCCCCCSCCCCCC 62a_100012094781_100000210757 [1,1,0,0,0,0|1,0,1]=4 6570 B13R0.336 C#CCCCCNCCCCCC=O 2230a_100000706060_100000139337 [1,1,0,0,0,0|0,0,2]=4 6571 B13R0.336 C#CCCCCNCCCCCCC 2230a_100000229938_100010269958 [1,1,0,0,0,0|1,0,1]=4 6572 B13R0.336 C#CCCCCNCCCCCCC 2230a_100000706060_100000210681 [1,1,0,0,0,0|1,0,1]=4 6573 B13R0.336 C#CCCCCNCCCCCCC 34a_100000706060_100000210614 [1,1,0,0,0,0|1,0,1]=4 6574 B13R0.336 C#CCCCCOCCCCCC=O 7a_100000766709_100000139337 [1,1,0,0,0,0|0,0,2]=4 6575 B13R0.336 C#CCCCCOCCCCCCC 34a_100000210272_100010269958 [1,1,0,0,0,0|1,0,1]=4 6576 B13R0.336 C#CCCCCOCCCCCCC 34a_100000766709_100000210614 [1,1,0,0,0,0|1,0,1]=4 6577 B13R0.336 C#CCCCCOCCCCCCC 7a_100000210272_100010269958 [1,1,0,0,0,0|1,0,1]=4 6578 B13R0.336 C#CCCCCOCCCCCCC 7a_100000766709_100000210614 [1,1,0,0,0,0|1,0,1]=4 6579 B13R0.336 C#CCCCCSCCCCCC=O 62a_100000139337_100010269958 [1,1,0,0,0,0|0,0,2]=4 6580 B13R0.336 C#CCCCCSCCCCCC=O 62a_100010269958_100000139337 [1,1,0,0,0,0|0,0,2]=4 6581 B13R0.336 C#CCCCCSCCCCCCC 62a_100000210614_100010269958 [1,1,0,0,0,0|1,0,1]=4 6582 B13R0.336 C#CCCCCSCCCCCCC 62a_100010269958_100000210316 [1,1,0,0,0,0|1,0,1]=4 6583 B13R0.336 C#CCCCNCCCCCCCC 2230a_100000229939_100000731252 [1,1,0,0,0,0|1,0,1]=4 6584 B13R0.336 C#CCCCNCCCCCCCC 34a_100000229939_100000695029 [1,1,0,0,0,0|1,0,1]=4 6585 B13R0.336 C#CCCCNCCCCCCCC 34a_100000718082_100000210759 [1,1,0,0,0,0|1,0,1]=4 6586 B13R0.336 C#CCCCOCCCCCCCC 34a_100000210232_100000695029 [1,1,0,0,0,0|1,0,1]=4 6587 B13R0.336 C#CCCCOCCCCCCCC 34a_100000215630_100000210759 [1,1,0,0,0,0|1,0,1]=4 6588 B13R0.336 C#CCCCOCCCCCCCC 7a_100000210232_100011215417 [1,1,0,0,0,0|1,0,1]=4 6589 B13R0.336 C#CCCCOCCCCCCCC 7a_100000215630_100000210759 [1,1,0,0,0,0|1,0,1]=4 6590 B13R0.336 C#CCCCSCCCCCCCC 62a_100000210759_100011215417 [1,1,0,0,0,0|1,0,1]=4 6591 B13R0.336 C#CCCCSCCCCCCCC 62a_100011215417_100000210317 [1,1,0,0,0,0|1,0,1]=4 6592 B13R0.336 C#CCCNCCCCCCCCC 2230a_100000212291_100000688953 [1,1,0,0,0,0|1,0,1]=4 6593 B13R0.336 C#CCCNCCCCCCCCC 34a_100000212291_100000688953 [1,1,0,0,0,0|1,0,1]=4 6594 B13R0.336 C#CCCNCCCCCCCCC 34a_100000755551_100011214924 [1,1,0,0,0,0|1,0,1]=4 6595 B13R0.336 C#CCCOCCCCCCCCC 34a_100000210712_100000688953 [1,1,0,0,0,0|1,0,1]=4 6596 B13R0.336 C#CCCOCCCCCCCCC 34a_100011215631_100011214924 [1,1,0,0,0,0|1,0,1]=4 6597 B13R0.336 C#CCCOCCCCCCCCC 7a_100000210712_100000688953 [1,1,0,0,0,0|1,0,1]=4 6598 B13R0.336 C#CCCSCCCCCCCCC 62a_100000688953_100000210670 [1,1,0,0,0,0|1,0,1]=4 6599 B13R0.336 C#CCNCCCCCCCCCC 2230a_100000684558_100000038162 [1,1,0,0,0,0|1,0,1]=4 6600 B13R0.336 C#CCNCCCCCCCCCC 34a_100000212058_100000210320 [1,1,0,0,0,0|1,0,1]=4 6601 B13R0.336 C#CCNCCCCCCCCCC 34a_100000684558_100000184674 [1,1,0,0,0,0|1,0,1]=4 6602 B13R0.336 C#CCOCCCCCCCCCC 34a_100000210247_100000210320 [1,1,0,0,0,0|1,0,1]=4 6603 B13R0.336 C#CCOCCCCCCCCCC 34a_100000210711_100000184674 [1,1,0,0,0,0|1,0,1]=4 6604 B13R0.336 C#CCOCCCCCCCCCC 7a_100000210711_100000038162 [1,1,0,0,0,0|1,0,1]=4 6605 B13R0.336 C#CCSCCCCCCCCCC 62a_100000038162_100000210320 [1,1,0,0,0,0|1,0,1]=4 6606 B13R0.336 C/C=C/CCOCCCCCCCC 34a_100016278192_100000210759 [1,1,0,0,0,0|1,0,1]=4 6607 B13R0.336 C/C=C/CNCCCCCCCCC 34a_100000212291_100102629194 [1,1,0,0,0,0|1,0,1]=4 6608 B13R0.336 C/C=C/COCCCCCCCCC 34a_100000210712_100102629194 [1,1,0,0,0,0|1,0,1]=4 6609 B13R0.336 C/C=C/COCCCCCCCCC 34a_100016270725_100011214924 [1,1,0,0,0,0|1,0,1]=4 6610 B13R0.336 C/C=C/COCCCCCCCCC 7a_100000210712_100102629194 [1,1,0,0,0,0|1,0,1]=4 6611 B13R0.336 C=CCCCCCCCCCCNC 2230a_106832991635_100011093070 [1,1,0,0,0,0|1,0,0]=3 6612 B13R0.336 C=CCCCCCCCCCCNC 34a_100102657272_100011093070 [1,1,0,0,0,0|1,0,0]=3 6613 B13R0.336 C=CCCCCCCCCCCNC 7a_106832991635_100011093070 [1,1,0,0,0,0|1,0,0]=3 6614 B13R0.336 C=CCCCCCCCCCCOC 34a_100138415774_100011093070 [1,1,0,0,0,0|1,0,0]=3 6615 B13R0.336 C=CCCCCCCCCCNCC 2230a_100000081888_100000210202 [1,1,0,0,0,0|1,0,0]=3 6616 B13R0.336 C=CCCCCCCCCCNCC 2230a_100015525214_100009814027 [1,1,0,0,0,0|1,0,0]=3 6617 B13R0.336 C=CCCCCCCCCCNCC 34a_100000081888_100000210202 [1,1,0,0,0,0|1,0,0]=3 6618 B13R0.336 C=CCCCCCCCCCNCF 34a_100000081888_100015361967 [1,1,0,0,0,0|2,0,0]=4 6619 B13R0.336 C=CCCCCCCCCCOCC 34a_100000038209_100000210202 [1,1,0,0,0,0|1,0,0]=3 6620 B13R0.336 C=CCCCCCCCCCOCC 34a_100121572206_100009814027 [1,1,0,0,0,0|1,0,0]=3 6621 B13R0.336 C=CCCCCCCCCCOCC 7a_100000038209_100000210202 [1,1,0,0,0,0|1,0,0]=3 6622 B13R0.336 C=CCCCCCCCCCOCF 34a_100000038209_100015361967 [1,1,0,0,0,0|2,0,0]=4 6623 B13R0.336 C=CCCCCCCCCCOCF 7a_100000038209_100015361967 [1,1,0,0,0,0|2,0,0]=4 6624 B13R0.336 C=CCCCCCCCCCSCF 62a_100009814027_100015361967 [1,1,0,0,0,0|2,0,0]=4 6625 B13R0.336 C=CCCCCCCCCCSCF 62a_100015361967_100009814027 [1,1,0,0,0,0|2,0,0]=4 6626 B13R0.336 C=CCCCCCCCCNCCF 34a_100000724931_100011933949 [1,1,0,0,0,0|2,0,0]=4 6627 B13R0.336 C=CCCCCCCCCNCCO 2230a_100016997473_100011933949 [1,1,0,0,0,0|2,0,0]=4 6628 B13R0.336 C=CCCCCCCCCNCCO 34a_100016990907_100011933949 [1,1,0,0,0,0|2,0,0]=4 6629 B13R0.336 C=CCCCCCCCCOCC=O 34a_100011215194_200009817547 [1,1,0,0,0,0|0,0,2]=4 6630 B13R0.336 C=CCCCCCCCCOCC=O 7a_100011215194_200015260668 [1,1,0,0,0,0|0,0,2]=4 6631 B13R0.336 C=CCCCCCCCCOCCBr 34a_100000211926_100011933949 [1,1,0,0,0,0|2,0,0]=4 6632 B13R0.336 C=CCCCCCCCCOCCC 34a_100000210258_100011933949 [1,1,0,0,0,0|1,0,0]=3 6633 B13R0.336 C=CCCCCCCCCOCCC 34a_100011215194_100000210303 [1,1,0,0,0,0|1,0,0]=3 6634 B13R0.336 C=CCCCCCCCCOCCC 7a_100011215194_100000210303 [1,1,0,0,0,0|1,0,0]=3 6635 B13R0.336 C=CCCCCCCCCOCCF 34a_100011215194_100011217306 [1,1,0,0,0,0|2,0,0]=4 6636 B13R0.336 C=CCCCCCCCCOCCF 7a_100011215194_100011217306 [1,1,0,0,0,0|2,0,0]=4 6637 B13R0.336 C=CCCCCCCCCOCCN 34a_100000210304_100011933949 [1,1,0,0,0,0|2,0,0]=4 6638 B13R0.336 C=CCCCCCCCCOCCO 34a_100011215194_100000211926 [1,1,0,0,0,0|2,0,0]=4 6639 B13R0.336 C=CCCCCCCCCOCCO 7a_100011215194_100000211926 [1,1,0,0,0,0|2,0,0]=4 6640 B13R0.336 C=CCCCCCCCCOCSC 34a_100011215194_100011218213 [1,1,0,0,0,0|2,0,0]=4 6641 B13R0.336 C=CCCCCCCCCSCC=O 62a_100011933949_200015260668 [1,1,0,0,0,0|0,0,2]=4 6642 B13R0.336 C=CCCCCCCCCSCC=O 62a_200015260668_100011933949 [1,1,0,0,0,0|0,0,2]=4 6643 B13R0.336 C=CCCCCCCCCSCCF 62a_100011217306_100011933949 [1,1,0,0,0,0|2,0,0]=4 6644 B13R0.336 C=CCCCCCCCCSCCF 62a_100011933949_100011217306 [1,1,0,0,0,0|2,0,0]=4 6645 B13R0.336 C=CCCCCCCCCSCCO 62a_100000211926_100011933949 [1,1,0,0,0,0|2,0,0]=4 6646 B13R0.336 C=CCCCCCCCCSCCO 62a_100011933949_100000211926 [1,1,0,0,0,0|2,0,0]=4 6647 B13R0.336 C=CCCCCCCCCSCOC 62a_100000766300_100011933949 [1,1,0,0,0,0|2,0,0]=4 6648 B13R0.336 C=CCCCCCCCCSCOC 62a_100011933949_100000766300 [1,1,0,0,0,0|2,0,0]=4 6649 B13R0.336 C=CCCCCCCCCSCSC 62a_100011218213_100011933949 [1,1,0,0,0,0|2,0,0]=4 6650 B13R0.336 C=CCCCCCCCCSCSC 62a_100011933949_100011218213 [1,1,0,0,0,0|2,0,0]=4 6651 B13R0.336 C=CCCCCCCCNCCCC 2230a_100000102301_100012355270 [1,1,0,0,0,0|1,0,0]=3 6652 B13R0.336 C=CCCCCCCCNCCCC 7a_106832991798_100012355270 [1,1,0,0,0,0|1,0,0]=3 6653 B13R0.336 C=CCCCCCCCNCCCF 2230a_100015189416_100012355270 [1,1,0,0,0,0|2,0,0]=4 6654 B13R0.336 C=CCCCCCCCNCCCF 34a_100015189416_100012355270 [1,1,0,0,0,0|2,0,0]=4 6655 B13R0.336 C=CCCCCCCCNCCOC 2230a_100000209980_100012355270 [1,1,0,0,0,0|2,0,0]=4 6656 B13R0.336 C=CCCCCCCCNCCSC 2230a_100020590264_100012355270 [1,1,0,0,0,0|2,0,0]=4 6657 B13R0.336 C=CCCCCCCCOCCCBr 34a_100011217188_100012355270 [1,1,0,0,0,0|2,0,0]=4 6658 B13R0.336 C=CCCCCCCCOCCCC 34a_100000210227_100012355270 [1,1,0,0,0,0|1,0,0]=3 6659 B13R0.336 C=CCCCCCCCOCCCC 34a_100000730831_100000210210 [1,1,0,0,0,0|1,0,0]=3 6660 B13R0.336 C=CCCCCCCCOCCCC 7a_100000210227_100012355270 [1,1,0,0,0,0|1,0,0]=3 6661 B13R0.336 C=CCCCCCCCOCCCC 7a_100000730831_100000210211 [1,1,0,0,0,0|1,0,0]=3 6662 B13R0.336 C=CCCCCCCCOCCCCl 34a_100000230001_100012355270 [1,1,0,0,0,0|2,0,0]=4 6663 B13R0.336 C=CCCCCCCCOCCCF 34a_100000730831_100011934791 [1,1,0,0,0,0|2,0,0]=4 6664 B13R0.336 C=CCCCCCCCOCCCF 34a_100000759539_100012355270 [1,1,0,0,0,0|2,0,0]=4 6665 B13R0.336 C=CCCCCCCCOCCCF 7a_100000730831_100011934791 [1,1,0,0,0,0|2,0,0]=4 6666 B13R0.336 C=CCCCCCCCOCCCN 34a_100000182051_100012355270 [1,1,0,0,0,0|2,0,0]=4 6667 B13R0.336 C=CCCCCCCCOCCCO 34a_100000730831_100000230001 [1,1,0,0,0,0|2,0,0]=4 6668 B13R0.336 C=CCCCCCCCOCCCO 7a_100000730831_100011215043 [1,1,0,0,0,0|2,0,0]=4 6669 B13R0.336 C=CCCCCCCCOCCOC 34a_100000210237_100012355270 [1,1,0,0,0,0|2,0,0]=4 6670 B13R0.336 C=CCCCCCCCOCCOC 34a_100000730831_100011201679 [1,1,0,0,0,0|2,0,0]=4 6671 B13R0.336 C=CCCCCCCCOCCOC 7a_100000730831_100000233755 [1,1,0,0,0,0|2,0,0]=4 6672 B13R0.336 C=CCCCCCCCOCCSC 34a_100000230434_100012355270 [1,1,0,0,0,0|2,0,0]=4 6673 B13R0.336 C=CCCCCCCCOCCSC 34a_100000730831_100000212216 [1,1,0,0,0,0|2,0,0]=4 6674 B13R0.336 C=CCCCCCCCOCCSC 7a_100000230434_100012355270 [1,1,0,0,0,0|2,0,0]=4 6675 B13R0.336 C=CCCCCCCCOCCSC 7a_100000730831_100000212216 [1,1,0,0,0,0|2,0,0]=4 6676 B13R0.336 C=CCCCCCCCSCCCF 62a_100011934791_100012355270 [1,1,0,0,0,0|2,0,0]=4 6677 B13R0.336 C=CCCCCCCCSCCCF 62a_100012355270_100011934791 [1,1,0,0,0,0|2,0,0]=4 6678 B13R0.336 C=CCCCCCCCSCCCO 62a_100011215043_100012355270 [1,1,0,0,0,0|2,0,0]=4 6679 B13R0.336 C=CCCCCCCCSCCCO 62a_100012355270_100011215043 [1,1,0,0,0,0|2,0,0]=4 6680 B13R0.336 C=CCCCCCCCSCCOC 62a_100000233755_100012355270 [1,1,0,0,0,0|2,0,0]=4 6681 B13R0.336 C=CCCCCCCCSCCOC 62a_100012355270_100000233755 [1,1,0,0,0,0|2,0,0]=4 6682 B13R0.336 C=CCCCCCCCSCCSC 62a_100000212216_100012355270 [1,1,0,0,0,0|2,0,0]=4 6683 B13R0.336 C=CCCCCCCCSCCSC 62a_100012355270_100000751147 [1,1,0,0,0,0|2,0,0]=4 6684 B13R0.336 C=CCCCCCCCSCOCC 62a_100000739092_100012355270 [1,1,0,0,0,0|2,0,0]=4 6685 B13R0.336 C=CCCCCCCCSCOCC 62a_100012355270_100000739092 [1,1,0,0,0,0|2,0,0]=4 6686 B13R0.336 C=CCCCCCCNCCCCC 2230a_100000209983_100011215473 [1,1,0,0,0,0|1,0,0]=3 6687 B13R0.336 C=CCCCCCCNCCCCO 2230a_100000750430_100011215473 [1,1,0,0,0,0|2,0,0]=4 6688 B13R0.336 C=CCCCCCCNCCCCO 34a_100000750430_100011215473 [1,1,0,0,0,0|2,0,0]=4 6689 B13R0.336 C=CCCCCCCNCCCOC 34a_100150723488_100011215473 [1,1,0,0,0,0|2,0,0]=4 6690 B13R0.336 C=CCCCCCCNCCCSC 2230a_100000749238_100011215473 [1,1,0,0,0,0|2,0,0]=4 6691 B13R0.336 C=CCCCCCCNCCOCC 2230a_102516460346_100011215473 [1,1,0,0,0,0|2,0,0]=4 6692 B13R0.336 C=CCCCCCCNCCOCC 34a_102516460346_100011215473 [1,1,0,0,0,0|2,0,0]=4 6693 B13R0.336 C=CCCCCCCNCCSCC 2230a_100000106463_100011215473 [1,1,0,0,0,0|2,0,0]=4 6694 B13R0.336 C=CCCCCCCOCCCC=O 7a_200011216477_200011292268 [1,1,0,0,0,0|0,0,2]=4 6695 B13R0.336 C=CCCCCCCOCCCCBr 34a_100011216708_100011215473 [1,1,0,0,0,0|2,0,0]=4 6696 B13R0.336 C=CCCCCCCOCCCCC 34a_100000210253_100011215473 [1,1,0,0,0,0|1,0,0]=3 6697 B13R0.336 C=CCCCCCCOCCCCC 34a_200011216477_100000718602 [1,1,0,0,0,0|1,0,0]=3 6698 B13R0.336 C=CCCCCCCOCCCCC 7a_100000210253_100011215473 [1,1,0,0,0,0|1,0,0]=3 6699 B13R0.336 C=CCCCCCCOCCCCC 7a_200011216477_100000210326 [1,1,0,0,0,0|1,0,0]=3 6700 B13R0.336 C=CCCCCCCOCCCCCl 34a_100000210776_100011215473 [1,1,0,0,0,0|2,0,0]=4 6701 B13R0.336 C=CCCCCCCOCCCCCl 7a_100000210776_100011215473 [1,1,0,0,0,0|2,0,0]=4 6702 B13R0.336 C=CCCCCCCOCCCCF 34a_100011995726_100011215473 [1,1,0,0,0,0|2,0,0]=4 6703 B13R0.336 C=CCCCCCCOCCCCF 34a_200011216477_100000729493 [1,1,0,0,0,0|2,0,0]=4 6704 B13R0.336 C=CCCCCCCOCCCCF 7a_100011995726_100011215473 [1,1,0,0,0,0|2,0,0]=4 6705 B13R0.336 C=CCCCCCCOCCCCF 7a_200011216477_100000729493 [1,1,0,0,0,0|2,0,0]=4 6706 B13R0.336 C=CCCCCCCOCCCCI 34a_200012148704_100011215473 [1,1,0,0,0,0|2,0,0]=4 6707 B13R0.336 C=CCCCCCCOCCCCN 34a_100000750430_100011215473 [1,1,0,0,0,0|2,0,0]=4 6708 B13R0.336 C=CCCCCCCOCCCCO 34a_200011216477_100011216708 [1,1,0,0,0,0|2,0,0]=4 6709 B13R0.336 C=CCCCCCCOCCCCO 7a_200011216477_100000210776 [1,1,0,0,0,0|2,0,0]=4 6710 B13R0.336 C=CCCCCCCOCCCNC 34a_100000213112_100011215473 [1,1,0,0,0,0|2,0,0]=4 6711 B13R0.336 C=CCCCCCCOCCCOC 34a_100000740835_100011215473 [1,1,0,0,0,0|2,0,0]=4 6712 B13R0.336 C=CCCCCCCOCCCOC 34a_200011216477_100000740836 [1,1,0,0,0,0|2,0,0]=4 6713 B13R0.336 C=CCCCCCCOCCCOC 7a_200011216477_100000740836 [1,1,0,0,0,0|2,0,0]=4 6714 B13R0.336 C=CCCCCCCOCCCSC 34a_100000690336_100011215473 [1,1,0,0,0,0|2,0,0]=4 6715 B13R0.336 C=CCCCCCCOCCCSC 7a_100000690336_100011215473 [1,1,0,0,0,0|2,0,0]=4 6716 B13R0.336 C=CCCCCCCOCCOCC 34a_100000210136_100011215473 [1,1,0,0,0,0|2,0,0]=4 6717 B13R0.336 C=CCCCCCCOCCOCC 34a_200011216477_100000210147 [1,1,0,0,0,0|2,0,0]=4 6718 B13R0.336 C=CCCCCCCOCCOCC 7a_100000210136_100011215473 [1,1,0,0,0,0|2,0,0]=4 6719 B13R0.336 C=CCCCCCCOCCOCC 7a_200011216477_100011215890 [1,1,0,0,0,0|2,0,0]=4 6720 B13R0.336 C=CCCCCCCOCCSCC 34a_100000212035_100011215473 [1,1,0,0,0,0|2,0,0]=4 6721 B13R0.336 C=CCCCCCCOCCSCC 34a_200011216477_100000757381 [1,1,0,0,0,0|2,0,0]=4 6722 B13R0.336 C=CCCCCCCOCCSCC 7a_100000212035_100011215473 [1,1,0,0,0,0|2,0,0]=4 6723 B13R0.336 C=CCCCCCCOCCSCC 7a_200011216477_100000757381 [1,1,0,0,0,0|2,0,0]=4 6724 B13R0.336 C=CCCCCCCSCCCC=O 62a_100011215473_200011292268 [1,1,0,0,0,0|0,0,2]=4 6725 B13R0.336 C=CCCCCCCSCCCC=O 62a_200011292268_100011215473 [1,1,0,0,0,0|0,0,2]=4 6726 B13R0.336 C=CCCCCCCSCCCCF 62a_100000729493_100011215473 [1,1,0,0,0,0|2,0,0]=4 6727 B13R0.336 C=CCCCCCCSCCCCF 62a_100011215473_100000729493 [1,1,0,0,0,0|2,0,0]=4 6728 B13R0.336 C=CCCCCCCSCCCCO 62a_100000210776_100011215473 [1,1,0,0,0,0|2,0,0]=4 6729 B13R0.336 C=CCCCCCCSCCCCO 62a_100011215473_100000210776 [1,1,0,0,0,0|2,0,0]=4 6730 B13R0.336 C=CCCCCCCSCCCOC 62a_100000709357_100011215473 [1,1,0,0,0,0|2,0,0]=4 6731 B13R0.336 C=CCCCCCCSCCCOC 62a_100011215473_100000709357 [1,1,0,0,0,0|2,0,0]=4 6732 B13R0.336 C=CCCCCCCSCCOCC 62a_100000210147_100011215473 [1,1,0,0,0,0|2,0,0]=4 6733 B13R0.336 C=CCCCCCCSCCOCC 62a_100011215473_100011215890 [1,1,0,0,0,0|2,0,0]=4 6734 B13R0.336 C=CCCCCCCSCCSCC 62a_100000757381_100011215473 [1,1,0,0,0,0|2,0,0]=4 6735 B13R0.336 C=CCCCCCCSCCSCC 62a_100011215473_100000757381 [1,1,0,0,0,0|2,0,0]=4 6736 B13R0.336 C=CCCCCCNCCCCCC 2230a_100000210581_100000700193 [1,1,0,0,0,0|1,0,0]=3 6737 B13R0.336 C=CCCCCCNCCCCCO 2230a_100000762737_100000700193 [1,1,0,0,0,0|2,0,0]=4 6738 B13R0.336 C=CCCCCCNCCCCCO 34a_100000762737_100000700193 [1,1,0,0,0,0|2,0,0]=4 6739 B13R0.336 C=CCCCCCNCCCOCC 2230a_100000210961_100000700193 [1,1,0,0,0,0|2,0,0]=4 6740 B13R0.336 C=CCCCCCNCCCOCC 34a_100000210961_100000700193 [1,1,0,0,0,0|2,0,0]=4 6741 B13R0.336 C=CCCCCCNCCOCCC 2230a_100161115042_100000700193 [1,1,0,0,0,0|2,0,0]=4 6742 B13R0.336 C=CCCCCCNCCOCCC 34a_100161115042_100000700193 [1,1,0,0,0,0|2,0,0]=4 6743 B13R0.336 C=CCCCCCNCCSCCC 2230a_100020603323_100000700193 [1,1,0,0,0,0|2,0,0]=4 6744 B13R0.336 C=CCCCCCOCCCCC=O 7a_100011216702_100000139335 [1,1,0,0,0,0|0,0,2]=4 6745 B13R0.336 C=CCCCCCOCCCCCBr 34a_100000746331_100000700193 [1,1,0,0,0,0|2,0,0]=4 6746 B13R0.336 C=CCCCCCOCCCCCBr 7a_100000746331_100000700193 [1,1,0,0,0,0|2,0,0]=4 6747 B13R0.336 C=CCCCCCOCCCCCC 34a_100000210259_100000700193 [1,1,0,0,0,0|1,0,0]=3 6748 B13R0.336 C=CCCCCCOCCCCCC 34a_100011216702_100000210314 [1,1,0,0,0,0|1,0,0]=3 6749 B13R0.336 C=CCCCCCOCCCCCC 7a_100000210259_100000700193 [1,1,0,0,0,0|1,0,0]=3 6750 B13R0.336 C=CCCCCCOCCCCCC 7a_100011216702_100000210314 [1,1,0,0,0,0|1,0,0]=3 6751 B13R0.336 C=CCCCCCOCCCCCCl 34a_100000746330_100000700193 [1,1,0,0,0,0|2,0,0]=4 6752 B13R0.336 C=CCCCCCOCCCCCCl 7a_100000746330_100000700193 [1,1,0,0,0,0|2,0,0]=4 6753 B13R0.336 C=CCCCCCOCCCCCF 34a_100011216702_100000729378 [1,1,0,0,0,0|2,0,0]=4 6754 B13R0.336 C=CCCCCCOCCCCCF 7a_100011216702_100000729378 [1,1,0,0,0,0|2,0,0]=4 6755 B13R0.336 C=CCCCCCOCCCCCI 34a_200012148887_100000700193 [1,1,0,0,0,0|2,0,0]=4 6756 B13R0.336 C=CCCCCCOCCCCCI 7a_200012148887_100000700193 [1,1,0,0,0,0|2,0,0]=4 6757 B13R0.336 C=CCCCCCOCCCCCN 34a_100000762737_100000700193 [1,1,0,0,0,0|2,0,0]=4 6758 B13R0.336 C=CCCCCCOCCCCCO 34a_100011216702_100000746330 [1,1,0,0,0,0|2,0,0]=4 6759 B13R0.336 C=CCCCCCOCCCCCO 7a_100011216702_100000746330 [1,1,0,0,0,0|2,0,0]=4 6760 B13R0.336 C=CCCCCCOCCCCOC 34a_100000740925_100000700193 [1,1,0,0,0,0|2,0,0]=4 6761 B13R0.336 C=CCCCCCOCCCCOC 34a_100011216702_100000755781 [1,1,0,0,0,0|2,0,0]=4 6762 B13R0.336 C=CCCCCCOCCCCOC 7a_100011216702_100000730899 [1,1,0,0,0,0|2,0,0]=4 6763 B13R0.336 C=CCCCCCOCCCCSC 34a_100011217163_100000700193 [1,1,0,0,0,0|2,0,0]=4 6764 B13R0.336 C=CCCCCCOCCCCSC 7a_100011217163_100000700193 [1,1,0,0,0,0|2,0,0]=4 6765 B13R0.336 C=CCCCCCOCCCOCC 34a_100000757476_100000700193 [1,1,0,0,0,0|2,0,0]=4 6766 B13R0.336 C=CCCCCCOCCCOCC 34a_100011216702_100012232248 [1,1,0,0,0,0|2,0,0]=4 6767 B13R0.336 C=CCCCCCOCCCOCC 7a_100000757476_100000700193 [1,1,0,0,0,0|2,0,0]=4 6768 B13R0.336 C=CCCCCCOCCCOCC 7a_100011216702_100012232248 [1,1,0,0,0,0|2,0,0]=4 6769 B13R0.336 C=CCCCCCOCCCSCC 34a_100011216438_100000700193 [1,1,0,0,0,0|2,0,0]=4 6770 B13R0.336 C=CCCCCCOCCCSCC 7a_100011216438_100000700193 [1,1,0,0,0,0|2,0,0]=4 6771 B13R0.336 C=CCCCCCOCCOCCC 34a_100000752267_100000700193 [1,1,0,0,0,0|2,0,0]=4 6772 B13R0.336 C=CCCCCCOCCOCCC 34a_100011216702_100011215938 [1,1,0,0,0,0|2,0,0]=4 6773 B13R0.336 C=CCCCCCOCCOCCC 7a_100000752267_100000700193 [1,1,0,0,0,0|2,0,0]=4 6774 B13R0.336 C=CCCCCCOCCOCCC 7a_100011216702_100011215938 [1,1,0,0,0,0|2,0,0]=4 6775 B13R0.336 C=CCCCCCOCCSCCC 34a_200000230433_100000700193 [1,1,0,0,0,0|2,0,0]=4 6776 B13R0.336 C=CCCCCCOCCSCCC 7a_200000230433_100000700193 [1,1,0,0,0,0|2,0,0]=4 6777 B13R0.336 C=CCCCCCOCOCCCC 34a_100011216702_100011995733 [1,1,0,0,0,0|2,0,0]=4 6778 B13R0.336 C=CCCCCCSCCCCC=O 62a_100000139335_100000700193 [1,1,0,0,0,0|0,0,2]=4 6779 B13R0.336 C=CCCCCCSCCCCC=O 62a_100000700193_100000139335 [1,1,0,0,0,0|0,0,2]=4 6780 B13R0.336 C=CCCCCCSCCCCCF 62a_100000700193_100000729378 [1,1,0,0,0,0|2,0,0]=4 6781 B13R0.336 C=CCCCCCSCCCCCF 62a_100000729378_100000700193 [1,1,0,0,0,0|2,0,0]=4 6782 B13R0.336 C=CCCCCCSCCCCCO 62a_100000700193_100000746330 [1,1,0,0,0,0|2,0,0]=4 6783 B13R0.336 C=CCCCCCSCCCCCO 62a_100000746330_100000700193 [1,1,0,0,0,0|2,0,0]=4 6784 B13R0.336 C=CCCCCCSCCCCOC 62a_100000700193_100000730899 [1,1,0,0,0,0|2,0,0]=4 6785 B13R0.336 C=CCCCCCSCCCCOC 62a_100000730899_100000700193 [1,1,0,0,0,0|2,0,0]=4 6786 B13R0.336 C=CCCCCCSCCCOCC 62a_100000700193_100012232248 [1,1,0,0,0,0|2,0,0]=4 6787 B13R0.336 C=CCCCCCSCCCOCC 62a_100012232248_100000700193 [1,1,0,0,0,0|2,0,0]=4 6788 B13R0.336 C=CCCCCCSCCOCCC 62a_100000700193_100011215938 [1,1,0,0,0,0|2,0,0]=4 6789 B13R0.336 C=CCCCCCSCCOCCC 62a_100011215938_100000700193 [1,1,0,0,0,0|2,0,0]=4 6790 B13R0.336 C=CCCCCCSCOCCCC 62a_100000700193_100011995733 [1,1,0,0,0,0|2,0,0]=4 6791 B13R0.336 C=CCCCCCSCOCCCC 62a_100011995733_100000700193 [1,1,0,0,0,0|2,0,0]=4 6792 B13R0.336 C=CCCCCNCCCCCC=O 2230a_100000703577_100000139337 [1,1,0,0,0,0|0,0,2]=4 6793 B13R0.336 C=CCCCCNCCCCCCC 2230a_100000229938_100011215482 [1,1,0,0,0,0|1,0,0]=3 6794 B13R0.336 C=CCCCCNCCCCCCC 2230a_100000703577_100000210681 [1,1,0,0,0,0|1,0,0]=3 6795 B13R0.336 C=CCCCCNCCCCCCC 34a_100000703577_100000210614 [1,1,0,0,0,0|1,0,0]=3 6796 B13R0.336 C=CCCCCNCCCCCCF 2230a_100000703577_100015922095 [1,1,0,0,0,0|2,0,0]=4 6797 B13R0.336 C=CCCCCNCCCCCCF 34a_100000703577_100015922095 [1,1,0,0,0,0|2,0,0]=4 6798 B13R0.336 C=CCCCCNCCCCCCO 2230a_100000686447_100011215482 [1,1,0,0,0,0|2,0,0]=4 6799 B13R0.336 C=CCCCCNCCCCCCO 2230a_100000703577_100000766143 [1,1,0,0,0,0|2,0,0]=4 6800 B13R0.336 C=CCCCCNCCCCCCO 34a_100000686447_100011215482 [1,1,0,0,0,0|2,0,0]=4 6801 B13R0.336 C=CCCCCNCCCCCCO 34a_100000703577_100000766143 [1,1,0,0,0,0|2,0,0]=4 6802 B13R0.336 C=CCCCCNCCCCCOC 2230a_100000747528_100011215482 [1,1,0,0,0,0|2,0,0]=4 6803 B13R0.336 C=CCCCCNCCCCCOC 34a_100000747528_100011215482 [1,1,0,0,0,0|2,0,0]=4 6804 B13R0.336 C=CCCCCNCCCOCCC 2230a_100011217757_100011215482 [1,1,0,0,0,0|2,0,0]=4 6805 B13R0.336 C=CCCCCNCCCOCCC 34a_100011217757_100011215482 [1,1,0,0,0,0|2,0,0]=4 6806 B13R0.336 C=CCCCCNCCOCCCC 2230a_100000703577_100000743108 [1,1,0,0,0,0|2,0,0]=4 6807 B13R0.336 C=CCCCCNCCOCCCC 34a_100000703577_100000743108 [1,1,0,0,0,0|2,0,0]=4 6808 B13R0.336 C=CCCCCNCCSCCCC 2230a_100025743550_100011215482 [1,1,0,0,0,0|2,0,0]=4 6809 B13R0.336 C=CCCCCOCCCCCC=O 7a_100000766645_100000139337 [1,1,0,0,0,0|0,0,2]=4 6810 B13R0.336 C=CCCCCOCCCCCCBr 34a_100011215345_100011215482 [1,1,0,0,0,0|2,0,0]=4 6811 B13R0.336 C=CCCCCOCCCCCCBr 7a_100011215345_100011215482 [1,1,0,0,0,0|2,0,0]=4 6812 B13R0.336 C=CCCCCOCCCCCCC 34a_100000210272_100011215482 [1,1,0,0,0,0|1,0,0]=3 6813 B13R0.336 C=CCCCCOCCCCCCC 34a_100000766645_100000210614 [1,1,0,0,0,0|1,0,0]=3 6814 B13R0.336 C=CCCCCOCCCCCCC 7a_100000210272_100011215482 [1,1,0,0,0,0|1,0,0]=3 6815 B13R0.336 C=CCCCCOCCCCCCC 7a_100000766645_100000210614 [1,1,0,0,0,0|1,0,0]=3 6816 B13R0.336 C=CCCCCOCCCCCCCl 34a_100000766143_100011215482 [1,1,0,0,0,0|2,0,0]=4 6817 B13R0.336 C=CCCCCOCCCCCCCl 7a_100000766143_100011215482 [1,1,0,0,0,0|2,0,0]=4 6818 B13R0.336 C=CCCCCOCCCCCCF 34a_100000732779_100011215482 [1,1,0,0,0,0|2,0,0]=4 6819 B13R0.336 C=CCCCCOCCCCCCF 34a_100000766645_100015922095 [1,1,0,0,0,0|2,0,0]=4 6820 B13R0.336 C=CCCCCOCCCCCCF 7a_100000732779_100011215482 [1,1,0,0,0,0|2,0,0]=4 6821 B13R0.336 C=CCCCCOCCCCCCF 7a_100000766645_100015922095 [1,1,0,0,0,0|2,0,0]=4 6822 B13R0.336 C=CCCCCOCCCCCCN 34a_100000686447_100011215482 [1,1,0,0,0,0|2,0,0]=4 6823 B13R0.336 C=CCCCCOCCCCCCO 34a_100000766645_100000766143 [1,1,0,0,0,0|2,0,0]=4 6824 B13R0.336 C=CCCCCOCCCCCCO 7a_100000766645_100000766143 [1,1,0,0,0,0|2,0,0]=4 6825 B13R0.336 C=CCCCCOCCCCCNC 34a_100000722520_100011215482 [1,1,0,0,0,0|2,0,0]=4 6826 B13R0.336 C=CCCCCOCCOCCCC 34a_100000210238_100011215482 [1,1,0,0,0,0|2,0,0]=4 6827 B13R0.336 C=CCCCCOCCOCCCC 34a_100000766645_100000743108 [1,1,0,0,0,0|2,0,0]=4 6828 B13R0.336 C=CCCCCOCCOCCCC 7a_100000210238_100011215482 [1,1,0,0,0,0|2,0,0]=4 6829 B13R0.336 C=CCCCCOCCOCCCC 7a_100000766645_100000743108 [1,1,0,0,0,0|2,0,0]=4 6830 B13R0.336 C=CCCCCOCCSCCCC 34a_200000230436_100011215482 [1,1,0,0,0,0|2,0,0]=4 6831 B13R0.336 C=CCCCCOCCSCCCC 7a_200000230436_100011215482 [1,1,0,0,0,0|2,0,0]=4 6832 B13R0.336 C=CCCCCSCCCCCC=O 62a_100000139337_100011215482 [1,1,0,0,0,0|0,0,2]=4 6833 B13R0.336 C=CCCCCSCCCCCC=O 62a_100011215482_100000139337 [1,1,0,0,0,0|0,0,2]=4 6834 B13R0.336 C=CCCCCSCCCCCCF 62a_100011215482_100015922095 [1,1,0,0,0,0|2,0,0]=4 6835 B13R0.336 C=CCCCCSCCCCCCF 62a_100015922095_100011215482 [1,1,0,0,0,0|2,0,0]=4 6836 B13R0.336 C=CCCCCSCCCCCCO 62a_100000766143_100011215482 [1,1,0,0,0,0|2,0,0]=4 6837 B13R0.336 C=CCCCCSCCCCCCO 62a_100011215482_100000766143 [1,1,0,0,0,0|2,0,0]=4 6838 B13R0.336 C=CCCCCSCCOCCCC 62a_100000743108_100011215482 [1,1,0,0,0,0|2,0,0]=4 6839 B13R0.336 C=CCCCCSCCOCCCC 62a_100011215482_100000743108 [1,1,0,0,0,0|2,0,0]=4 6840 B13R0.336 C=CCCCNCCCCCCCC 2230a_100000229939_100011713584 [1,1,0,0,0,0|1,0,0]=3 6841 B13R0.336 C=CCCCNCCCCCCCC 2230a_100000700776_100000210759 [1,1,0,0,0,0|1,0,0]=3 6842 B13R0.336 C=CCCCNCCCCCCCC 34a_100000229939_100000757094 [1,1,0,0,0,0|1,0,0]=3 6843 B13R0.336 C=CCCCNCCCCCCCC 34a_100000700776_100000210759 [1,1,0,0,0,0|1,0,0]=3 6844 B13R0.336 C=CCCCNCCCCCCCO 2230a_100000700776_100000760002 [1,1,0,0,0,0|2,0,0]=4 6845 B13R0.336 C=CCCCNCCCCCCCO 2230a_100011996573_100011713584 [1,1,0,0,0,0|2,0,0]=4 6846 B13R0.336 C=CCCCNCCCCCCCO 34a_100000700776_100000760002 [1,1,0,0,0,0|2,0,0]=4 6847 B13R0.336 C=CCCCNCCCCCCCO 34a_100011996573_100000757094 [1,1,0,0,0,0|2,0,0]=4 6848 B13R0.336 C=CCCCNCCCCCCOC 2230a_100000700776_100011998445 [1,1,0,0,0,0|2,0,0]=4 6849 B13R0.336 C=CCCCNCCCCCCOC 34a_100000700776_100011998445 [1,1,0,0,0,0|2,0,0]=4 6850 B13R0.336 C=CCCCNCCCOCCCC 2230a_200000211371_100011713584 [1,1,0,0,0,0|2,0,0]=4 6851 B13R0.336 C=CCCCNCCCOCCCC 34a_200000211371_100000757094 [1,1,0,0,0,0|2,0,0]=4 6852 B13R0.336 C=CCCCOCCCCCCCBr 34a_100000760002_100000757094 [1,1,0,0,0,0|2,0,0]=4 6853 B13R0.336 C=CCCCOCCCCCCCBr 7a_100000760002_100000757094 [1,1,0,0,0,0|2,0,0]=4 6854 B13R0.336 C=CCCCOCCCCCCCC 34a_100000210232_100000757094 [1,1,0,0,0,0|1,0,0]=3 6855 B13R0.336 C=CCCCOCCCCCCCC 34a_100000758997_100000210759 [1,1,0,0,0,0|1,0,0]=3 6856 B13R0.336 C=CCCCOCCCCCCCC 7a_100000210232_100000757094 [1,1,0,0,0,0|1,0,0]=3 6857 B13R0.336 C=CCCCOCCCCCCCC 7a_100000758997_100000210759 [1,1,0,0,0,0|1,0,0]=3 6858 B13R0.336 C=CCCCOCCCCCCCN 34a_100011996573_100000757094 [1,1,0,0,0,0|2,0,0]=4 6859 B13R0.336 C=CCCCOCCCCCCCO 34a_100000758997_100000760002 [1,1,0,0,0,0|2,0,0]=4 6860 B13R0.336 C=CCCCOCCCCCCCO 7a_100000758997_100000760002 [1,1,0,0,0,0|2,0,0]=4 6861 B13R0.336 C=CCCCOCCCCCCOC 34a_100000758997_100011998445 [1,1,0,0,0,0|2,0,0]=4 6862 B13R0.336 C=CCCCOCCCCCCOC 34a_200012092642_100000757094 [1,1,0,0,0,0|2,0,0]=4 6863 B13R0.336 C=CCCCOCCCCCCOC 7a_100000758997_100011998445 [1,1,0,0,0,0|2,0,0]=4 6864 B13R0.336 C=CCCCOCCCCCCOC 7a_200012092642_100000757094 [1,1,0,0,0,0|2,0,0]=4 6865 B13R0.336 C=CCCCOCCCOCCCC 34a_200011215613_100000757094 [1,1,0,0,0,0|2,0,0]=4 6866 B13R0.336 C=CCCCOCCCOCCCC 7a_200011215613_100000757094 [1,1,0,0,0,0|2,0,0]=4 6867 B13R0.336 C=CCCCOCCNCCCCC 34a_100000224656_100000757094 [1,1,0,0,0,0|2,0,0]=4 6868 B13R0.336 C=CCCCOCCOCCCCC 34a_100011215259_100000757094 [1,1,0,0,0,0|2,0,0]=4 6869 B13R0.336 C=CCCCOCCOCCCCC 7a_100011215259_100000757094 [1,1,0,0,0,0|2,0,0]=4 6870 B13R0.336 C=CCCCSCCCCCCCO 62a_100000760002_100000757094 [1,1,0,0,0,0|2,0,0]=4 6871 B13R0.336 C=CCCCSCCCCCCCO 62a_100011713584_100000760002 [1,1,0,0,0,0|2,0,0]=4 6872 B13R0.336 C=CCCCSCCCCCCOC 62a_100011713584_100011998445 [1,1,0,0,0,0|2,0,0]=4 6873 B13R0.336 C=CCCCSCCCCCCOC 62a_100011998445_100000757094 [1,1,0,0,0,0|2,0,0]=4 6874 B13R0.336 C=CCCNCCCCCCCCC 2230a_100000212291_100000754431 [1,1,0,0,0,0|1,0,0]=3 6875 B13R0.336 C=CCCNCCCCCCCCC 2230a_100015191253_100011214924 [1,1,0,0,0,0|1,0,0]=3 6876 B13R0.336 C=CCCNCCCCCCCCC 34a_100000212291_100000754431 [1,1,0,0,0,0|1,0,0]=3 6877 B13R0.336 C=CCCNCCCCCCCCO 2230a_100015191253_100000033203 [1,1,0,0,0,0|2,0,0]=4 6878 B13R0.336 C=CCCNCCCCCCCCO 2230a_102515433106_100000754431 [1,1,0,0,0,0|2,0,0]=4 6879 B13R0.336 C=CCCNCCCCCCCCO 34a_102515433106_100000754431 [1,1,0,0,0,0|2,0,0]=4 6880 B13R0.336 C=CCCOCCCCCCCCBr 34a_100009813846_100000754431 [1,1,0,0,0,0|2,0,0]=4 6881 B13R0.336 C=CCCOCCCCCCCCBr 7a_100009813846_100000754431 [1,1,0,0,0,0|2,0,0]=4 6882 B13R0.336 C=CCCOCCCCCCCCC 34a_100000210712_100000754431 [1,1,0,0,0,0|1,0,0]=3 6883 B13R0.336 C=CCCOCCCCCCCCC 34a_100011205117_100011214924 [1,1,0,0,0,0|1,0,0]=3 6884 B13R0.336 C=CCCOCCCCCCCCC 7a_100000210712_100000754431 [1,1,0,0,0,0|1,0,0]=3 6885 B13R0.336 C=CCCOCCCCCCCCCl 34a_100000033203_100000754431 [1,1,0,0,0,0|2,0,0]=4 6886 B13R0.336 C=CCCOCCCCCCCCCl 7a_100000033203_100000754431 [1,1,0,0,0,0|2,0,0]=4 6887 B13R0.336 C=CCCOCCCCCCCCN 34a_102515433106_100000754431 [1,1,0,0,0,0|2,0,0]=4 6888 B13R0.336 C=CCCOCCCCCCCCO 34a_100011205117_100000033203 [1,1,0,0,0,0|2,0,0]=4 6889 B13R0.336 C=CCCOCCCCNCCCC 34a_200011216965_100000754431 [1,1,0,0,0,0|2,0,0]=4 6890 B13R0.336 C=CCCOCCCCOCCCC 34a_200000760531_100000754431 [1,1,0,0,0,0|2,0,0]=4 6891 B13R0.336 C=CCCOCCCCOCCCC 7a_200000760531_100000754431 [1,1,0,0,0,0|2,0,0]=4 6892 B13R0.336 C=CCCOCCOCCCCCC 34a_100000691444_100000754431 [1,1,0,0,0,0|2,0,0]=4 6893 B13R0.336 C=CCCOCCOCCCCCC 7a_100000691444_100000754431 [1,1,0,0,0,0|2,0,0]=4 6894 B13R0.336 C=CCCSCCCCCCCCO 62a_100000033203_100000754431 [1,1,0,0,0,0|2,0,0]=4 6895 B13R0.336 C=CCCSCCCCCCCCO 62a_100000754431_100000033203 [1,1,0,0,0,0|2,0,0]=4 6896 B13R0.336 C=CCNCCCCCCCCCC 2230a_100000684558_100000210623 [1,1,0,0,0,0|1,0,0]=3 6897 B13R0.336 C=CCNCCCCCCCCCC 2230a_100020586998_100000210320 [1,1,0,0,0,0|1,0,0]=3 6898 B13R0.336 C=CCNCCCCCCCCCC 34a_100000684558_100015514636 [1,1,0,0,0,0|1,0,0]=3 6899 B13R0.336 C=CCNCCCCCCCCCO 2230a_100000078944_100000210623 [1,1,0,0,0,0|2,0,0]=4 6900 B13R0.336 C=CCNCCCCCCCCCO 2230a_100020586998_100009813782 [1,1,0,0,0,0|2,0,0]=4 6901 B13R0.336 C=CCNCCCCCCCCCO 34a_100000078944_100015514636 [1,1,0,0,0,0|2,0,0]=4 6902 B13R0.336 C=CCOCCCCCCCCCBr 34a_100009813782_100015514636 [1,1,0,0,0,0|2,0,0]=4 6903 B13R0.336 C=CCOCCCCCCCCCBr 7a_100009813782_100015514636 [1,1,0,0,0,0|2,0,0]=4 6904 B13R0.336 C=CCOCCCCCCCCCC 34a_100000210711_100015514636 [1,1,0,0,0,0|1,0,0]=3 6905 B13R0.336 C=CCOCCCCCCCCCC 34a_200000210373_100000210320 [1,1,0,0,0,0|1,0,0]=3 6906 B13R0.336 C=CCOCCCCCCCCCC 7a_100000210711_100015514636 [1,1,0,0,0,0|1,0,0]=3 6907 B13R0.336 C=CCOCCCCCCCCCCl 34a_100009868337_100015514636 [1,1,0,0,0,0|2,0,0]=4 6908 B13R0.336 C=CCOCCCCCCCCCCl 7a_100009868337_100015514636 [1,1,0,0,0,0|2,0,0]=4 6909 B13R0.336 C=CCOCCCCCCCCCN 34a_100000078944_100015514636 [1,1,0,0,0,0|2,0,0]=4 6910 B13R0.336 C=CCOCCCCCCCCCO 34a_200000210373_100009813782 [1,1,0,0,0,0|2,0,0]=4 6911 B13R0.336 C=CCOCCOCCCCCCC 34a_100000037705_100000210614 [1,1,0,0,0,0|2,0,0]=4 6912 B13R0.336 C=CCOCCOCCCCCCC 7a_100000037705_100000210614 [1,1,0,0,0,0|2,0,0]=4 6913 B13R0.336 C=CCSCCCCCCCCCO 62a_100000210623_100009813782 [1,1,0,0,0,0|2,0,0]=4 6914 B13R0.336 C=CCSCCCCCCCCCO 62a_100009813782_100000210623 [1,1,0,0,0,0|2,0,0]=4 6915 B13R0.336 C=COCCCCOCCCCCC 34a_100000031558_100000210314 [1,1,0,0,0,0|2,0,0]=4 6916 B13R0.336 C=COCCCCOCCCCCC 7a_100000031558_100000210314 [1,1,0,0,0,0|2,0,0]=4 6917 B13R0.336 C=COCCCNCCCCCCC 2230a_100000210767_100000210681 [1,1,0,0,0,0|2,0,0]=4 6918 B13R0.336 C=COCCCNCCCCCCC 34a_100000210767_100000210614 [1,1,0,0,0,0|2,0,0]=4 6919 B13R0.336 C=COCCNCCCCCCCC 2230a_100000229939_100000039644 [1,1,0,0,0,0|2,0,0]=4 6920 B13R0.336 C=COCCNCCCCCCCC 34a_100000229939_100000039644 [1,1,0,0,0,0|2,0,0]=4 6921 B13R0.336 C=COCCOCCCCCCCC 34a_100000033082_100000210759 [1,1,0,0,0,0|2,0,0]=4 6922 B13R0.336 C=COCCOCCCCCCCC 34a_100000210232_100000039644 [1,1,0,0,0,0|2,0,0]=4 6923 B13R0.336 C=COCCOCCCCCCCC 7a_100000210232_100000039644 [1,1,0,0,0,0|2,0,0]=4 6924 B13R0.336 C=COCCSCCCCCCCC 62a_100000039644_100000210317 [1,1,0,0,0,0|2,0,0]=4 6925 B13R0.336 C=COCCSCCCCCCCC 62a_100000210759_100000039644 [1,1,0,0,0,0|2,0,0]=4 6926 B13R0.336 CC/C=C/CCCOCCCCC=O 7a_100016287902_100000139335 [1,1,0,0,0,0|0,0,2]=4 6927 B13R0.336 CC/C=C\CCCCOCCCC=O 7a_100016287862_200011292268 [1,1,0,0,0,0|0,0,2]=4 6928 B13R0.336 CC/C=C\CCOCCCCCC=O 7a_100016288707_100000139337 [1,1,0,0,0,0|0,0,2]=4 6929 B13R0.336 CC/C=C\CCSCCCCCC=O 62a_100000139337_100015370543 [1,1,0,0,0,0|0,0,2]=4 6930 B13R0.336 CC/C=C\CCSCCCCCC=O 62a_100015370543_100000139337 [1,1,0,0,0,0|0,0,2]=4 6931 B13R0.336 CC=CCCCOCCCCCCC 34a_100020645299_100000210614 [1,1,0,0,0,0|1,0,1]=4 6932 B13R0.336 CC=CCNCCCCCCCCC 2230a_100000212291_100000070051 [1,1,0,0,0,0|1,0,1]=4 6933 B13R0.336 CC=CCNCCCCCCCCC 34a_100000212291_100000070051 [1,1,0,0,0,0|1,0,1]=4 6934 B13R0.336 CC=CCOCCCCCCCCC 34a_100000210712_100000070051 [1,1,0,0,0,0|1,0,1]=4 6935 B13R0.336 CC=CCOCCCCCCCCC 7a_100000210712_100000070051 [1,1,0,0,0,0|1,0,1]=4 6936 B13R0.336 CCC#CCCCCCCSCC=O 62a_200000036426_200015260668 [1,1,0,0,0,0|0,0,2]=4 6937 B13R0.336 CCC#CCCCCCCSCC=O 62a_200015260668_200000036426 [1,1,0,0,0,0|0,0,2]=4 6938 B13R0.336 CCC#CCCOCCCCCC=O 7a_100000036655_100000139337 [1,1,0,0,0,0|0,0,2]=4 6939 B13R0.336 CCC/C=C/COCCCCCC=O 7a_100016278788_100000139337 [1,1,0,0,0,0|0,0,2]=4 6940 B13R0.336 CCCC#CCCOCCCCC=O 7a_100000042726_100000139335 [1,1,0,0,0,0|0,0,2]=4 6941 B13R0.336 CCCC#CCOCCCCCC=O 7a_100000034806_100000139337 [1,1,0,0,0,0|0,0,2]=4 6942 B13R0.336 CCCC/C=C/CCCCOCC=O 34a_200020645093_200009817547 [1,1,0,0,0,0|0,0,2]=4 6943 B13R0.336 CCCC/C=C/CCCCOCC=O 7a_200020645093_200015260668 [1,1,0,0,0,0|0,0,2]=4 6944 B13R0.336 CCCC/C=C/COCCCCC=O 7a_200016272032_100000139335 [1,1,0,0,0,0|0,0,2]=4 6945 B13R0.336 CCCC/C=C\CCOCCCC=O 7a_200016286491_200011292268 [1,1,0,0,0,0|0,0,2]=4 6946 B13R0.336 CCCCC#CCCCCOCC=O 34a_200000066234_200009817547 [1,1,0,0,0,0|0,0,2]=4 6947 B13R0.336 CCCCC#CCCCCOCC=O 7a_200000066234_200015260668 [1,1,0,0,0,0|0,0,2]=4 6948 B13R0.336 CCCCC#CCCOCCCC=O 7a_100000037610_200011292268 [1,1,0,0,0,0|0,0,2]=4 6949 B13R0.336 CCCCC#CCOCCCCC=O 7a_200000034558_100000139335 [1,1,0,0,0,0|0,0,2]=4 6950 B13R0.336 CCCCC/C=C/COCCCC=O 7a_100016258190_200011292268 [1,1,0,0,0,0|0,0,2]=4 6951 B13R0.336 CCCCC/C=C\CCCOCC=O 34a_100020655193_200009817547 [1,1,0,0,0,0|0,0,2]=4 6952 B13R0.336 CCCCC/C=C\CCCOCC=O 7a_100020655193_200015260668 [1,1,0,0,0,0|0,0,2]=4 6953 B13R0.336 CCCCCC#CCOCCCC=O 7a_200000033628_200011292268 [1,1,0,0,0,0|0,0,2]=4 6954 B13R0.336 CCCCCC#CCSCCCC=O 62a_100009816472_200011292268 [1,1,0,0,0,0|0,0,2]=4 6955 B13R0.336 CCCCCC#CCSCCCC=O 62a_200011292268_100009816472 [1,1,0,0,0,0|0,0,2]=4 6956 B13R0.336 CCCCCCC#CCCOCC=O 34a_200000033163_200009817547 [1,1,0,0,0,0|0,0,2]=4 6957 B13R0.336 CCCCCCC#CCCOCC=O 7a_200000033163_200015260668 [1,1,0,0,0,0|0,0,2]=4 6958 B13R0.336 CCCCCCCC#CCOCC=O 34a_200000061759_200009817547 [1,1,0,0,0,0|0,0,2]=4 6959 B13R0.336 CCCCCCCC#CCOCC=O 7a_200000061759_200015260668 [1,1,0,0,0,0|0,0,2]=4 6960 B13R0.336 CCCCCCCCCCCCNC 2230a_100000210451_200000210301 [1,1,0,0,0,0|1,0,1]=4 6961 B13R0.336 CCCCCCCCCCCCNC 2230a_106832991635_100011215052 [1,1,0,0,0,0|1,0,1]=4 6962 B13R0.336 CCCCCCCCCCCCNC 270004a_106832991635_100011218549 [1,1,0,0,0,0|1,0,1]=4 6963 B13R0.336 CCCCCCCCCCCCNC 34a_100000210451_200000210301 [1,1,0,0,0,0|1,0,1]=4 6964 B13R0.336 CCCCCCCCCCCCNC 34a_100102657272_100000759014 [1,1,0,0,0,0|1,0,1]=4 6965 B13R0.336 CCCCCCCCCCCCNC 7a_106832991635_100000759014 [1,1,0,0,0,0|1,0,1]=4 6966 B13R0.336 CCCCCCCCCCCCN[13CH3] 2230a_100000210451_200025704644 [1,1,0,0,0,0|1,0,1]=4 6967 B13R0.336 CCCCCCCCCCCCN[13CH3] 34a_100000210451_200025704644 [1,1,0,0,0,0|1,0,1]=4 6968 B13R0.336 CCCCCCCCCCCCOC 34a_100000210810_200000210301 [1,1,0,0,0,0|0,0,2]=4 6969 B13R0.336 CCCCCCCCCCCCOC 34a_100138415774_100000759014 [1,1,0,0,0,0|0,0,2]=4 6970 B13R0.336 CCCCCCCCCCCCOC 7a_100000210810_200000210301 [1,1,0,0,0,0|0,0,2]=4 6971 B13R0.336 CCCCCCCCCCCCO[13CH3] 34a_100000210810_200025704644 [1,1,0,0,0,0|0,0,2]=4 6972 B13R0.336 CCCCCCCCCCCCO[13CH3] 7a_100000210810_200025704644 [1,1,0,0,0,0|0,0,2]=4 6973 B13R0.336 CCCCCCCCCCCNCC 2230a_100015525214_100011215454 [1,1,0,0,0,0|1,0,1]=4 6974 B13R0.336 CCCCCCCCCCCNCC 2230a_200011215754_100000210202 [1,1,0,0,0,0|1,0,1]=4 6975 B13R0.336 CCCCCCCCCCCNCC 34a_200011215754_100000210202 [1,1,0,0,0,0|1,0,1]=4 6976 B13R0.336 CCCCCCCCCCCNCF 34a_200011215754_100015361967 [1,1,0,0,0,0|0,1,1]=4 6977 B13R0.336 CCCCCCCCCCCOCC 34a_100000210809_100000210202 [1,1,0,0,0,0|1,0,1]=4 6978 B13R0.336 CCCCCCCCCCCOCC 34a_100121572206_100011215454 [1,1,0,0,0,0|1,0,1]=4 6979 B13R0.336 CCCCCCCCCCCOCC 7a_100000210809_100000210202 [1,1,0,0,0,0|1,0,1]=4 6980 B13R0.336 CCCCCCCCCCCOCF 34a_100000210809_100015361967 [1,1,0,0,0,0|0,1,1]=4 6981 B13R0.336 CCCCCCCCCCCOCF 7a_100000210809_100015361967 [1,1,0,0,0,0|0,1,1]=4 6982 B13R0.336 CCCCCCCCCCNCC#N 2230a_100000684558_100011215382 [1,1,0,0,0,0|1,0,1]=4 6983 B13R0.336 CCCCCCCCCCNCC=O 2230a_100000684558_200015260668 [1,1,0,0,0,0|0,0,0]=2 6984 B13R0.336 CCCCCCCCCCNCC=O 34a_100000684558_200009817547 [1,1,0,0,0,0|0,0,0]=2 6985 B13R0.336 CCCCCCCCCCNCCC 2230a_100000684558_100000210303 [1,1,0,0,0,0|1,0,1]=4 6986 B13R0.336 CCCCCCCCCCNCCC 34a_100000684558_100000210303 [1,1,0,0,0,0|1,0,1]=4 6987 B13R0.336 CCCCCCCCCCNCCF 2230a_100000684558_100011217306 [1,1,0,0,0,0|0,1,1]=4 6988 B13R0.336 CCCCCCCCCCNCCF 34a_100000684558_100011217306 [1,1,0,0,0,0|0,1,1]=4 6989 B13R0.336 CCCCCCCCCCNCCF 34a_100000724931_100000210320 [1,1,0,0,0,0|0,1,1]=4 6990 B13R0.336 CCCCCCCCCCNCCO 2230a_100000684558_100000211926 [1,1,0,0,0,0|0,0,2]=4 6991 B13R0.336 CCCCCCCCCCNCCO 2230a_100016997473_100000210320 [1,1,0,0,0,0|0,0,2]=4 6992 B13R0.336 CCCCCCCCCCNCCO 34a_100000684558_100000211926 [1,1,0,0,0,0|0,0,2]=4 6993 B13R0.336 CCCCCCCCCCNCCO 34a_100016990907_100000210320 [1,1,0,0,0,0|0,0,2]=4 6994 B13R0.336 CCCCCCCCCCNCOC 2230a_100000684558_100000766300 [1,1,0,0,0,0|2,0,0]=4 6995 B13R0.336 CCCCCCCCCCNCSC 2230a_100000684558_100011218213 [1,1,0,0,0,0|2,0,0]=4 6996 B13R0.336 CCCCCCCCCCNCSC 34a_100000684558_100011218213 [1,1,0,0,0,0|2,0,0]=4 6997 B13R0.336 CCCCCCCCCCOCC#N 7a_100000210711_100011215382 [1,1,0,0,0,0|1,0,1]=4 6998 B13R0.336 CCCCCCCCCCOCC=O 34a_100000210711_200009817547 [1,1,0,0,0,0|0,0,0]=2 6999 B13R0.336 CCCCCCCCCCOCC=O 7a_100000210711_200015260668 [1,1,0,0,0,0|0,0,0]=2 7000 B13R0.336 CCCCCCCCCCOCCBr 34a_100000211926_100000210320 [1,1,0,0,0,0|0,1,1]=4 7001 B13R0.336 CCCCCCCCCCOCCC 34a_100000210258_100000210320 [1,1,0,0,0,0|1,0,1]=4 7002 B13R0.336 CCCCCCCCCCOCCC 34a_100000210711_100000210303 [1,1,0,0,0,0|1,0,1]=4 7003 B13R0.336 CCCCCCCCCCOCCC 7a_100000210711_100000210303 [1,1,0,0,0,0|1,0,1]=4 7004 B13R0.336 CCCCCCCCCCOCCF 34a_100000210711_100011217306 [1,1,0,0,0,0|0,1,1]=4 7005 B13R0.336 CCCCCCCCCCOCCF 7a_100000210711_100011217306 [1,1,0,0,0,0|0,1,1]=4 7006 B13R0.336 CCCCCCCCCCOCCN 34a_100000210304_100000210320 [1,1,0,0,0,0|1,0,1]=4 7007 B13R0.336 CCCCCCCCCCOCCO 34a_100000210711_100000211926 [1,1,0,0,0,0|0,0,2]=4 7008 B13R0.336 CCCCCCCCCCOCCO 7a_100000210711_100000211926 [1,1,0,0,0,0|0,0,2]=4 7009 B13R0.336 CCCCCCCCCCOCSC 34a_100000210711_100011218213 [1,1,0,0,0,0|2,0,0]=4 7010 B13R0.336 CCCCCCCCCCSCC#N 62a_100011215382_100000210320 [1,1,0,0,0,0|1,0,1]=4 7011 B13R0.336 CCCCCCCCCCSCC=O 62a_200015260668_100000210320 [1,1,0,0,0,0|0,0,0]=2 7012 B13R0.336 CCCCCCCCCCSCCF 62a_100011217306_100000210320 [1,1,0,0,0,0|0,1,1]=4 7013 B13R0.336 CCCCCCCCCCSCCO 62a_100000211926_100000210320 [1,1,0,0,0,0|0,0,2]=4 7014 B13R0.336 CCCCCCCCCCSCOC 62a_100000766300_100000210320 [1,1,0,0,0,0|2,0,0]=4 7015 B13R0.336 CCCCCCCCCNCCC#N 2230a_100000212291_100011215226 [1,1,0,0,0,0|1,0,1]=4 7016 B13R0.336 CCCCCCCCCNCCCC 2230a_100000102301_100011214924 [1,1,0,0,0,0|1,0,1]=4 7017 B13R0.336 CCCCCCCCCNCCCC 2230a_100000212291_100000210211 [1,1,0,0,0,0|1,0,1]=4 7018 B13R0.336 CCCCCCCCCNCCCC 34a_100000212291_100000210210 [1,1,0,0,0,0|1,0,1]=4 7019 B13R0.336 CCCCCCCCCNCCCC 7a_106832991798_100000210328 [1,1,0,0,0,0|1,0,1]=4 7020 B13R0.336 CCCCCCCCCNCCCF 2230a_100000212291_100011934791 [1,1,0,0,0,0|0,1,1]=4 7021 B13R0.336 CCCCCCCCCNCCCF 2230a_100015189416_100011214924 [1,1,0,0,0,0|0,1,1]=4 7022 B13R0.336 CCCCCCCCCNCCCF 34a_100000212291_100011934791 [1,1,0,0,0,0|0,1,1]=4 7023 B13R0.336 CCCCCCCCCNCCCF 34a_100015189416_100011214924 [1,1,0,0,0,0|0,1,1]=4 7024 B13R0.336 CCCCCCCCCNCCCO 2230a_100000212291_100000230001 [1,1,0,0,0,0|0,0,2]=4 7025 B13R0.336 CCCCCCCCCNCCCO 34a_100000212291_100000230001 [1,1,0,0,0,0|0,0,2]=4 7026 B13R0.336 CCCCCCCCCNCCOC 2230a_100000209980_100011214924 [1,1,0,0,0,0|2,0,0]=4 7027 B13R0.336 CCCCCCCCCNCCOC 2230a_100000212291_100011201679 [1,1,0,0,0,0|2,0,0]=4 7028 B13R0.336 CCCCCCCCCNCCOC 34a_100000212291_100011201679 [1,1,0,0,0,0|2,0,0]=4 7029 B13R0.336 CCCCCCCCCNCCSC 2230a_100000212291_100000751147 [1,1,0,0,0,0|2,0,0]=4 7030 B13R0.336 CCCCCCCCCNCCSC 2230a_100020590264_100011214924 [1,1,0,0,0,0|2,0,0]=4 7031 B13R0.336 CCCCCCCCCNCCSC 34a_100000212291_100000212216 [1,1,0,0,0,0|2,0,0]=4 7032 B13R0.336 CCCCCCCCCOCCC#N 7a_100000210712_100000184422 [1,1,0,0,0,0|1,0,1]=4 7033 B13R0.336 CCCCCCCCCOCCCBr 34a_100011217188_100011214924 [1,1,0,0,0,0|0,1,1]=4 7034 B13R0.336 CCCCCCCCCOCCCC 34a_100000210227_100011214924 [1,1,0,0,0,0|1,0,1]=4 7035 B13R0.336 CCCCCCCCCOCCCC 34a_100000210712_100000210210 [1,1,0,0,0,0|1,0,1]=4 7036 B13R0.336 CCCCCCCCCOCCCC 7a_100000210227_100000210328 [1,1,0,0,0,0|1,0,1]=4 7037 B13R0.336 CCCCCCCCCOCCCC 7a_100000210712_100000210211 [1,1,0,0,0,0|1,0,1]=4 7038 B13R0.336 CCCCCCCCCOCCCCl 34a_100000230001_100011214924 [1,1,0,0,0,0|0,0,1]=3 7039 B13R0.336 CCCCCCCCCOCCCF 34a_100000210712_100011934791 [1,1,0,0,0,0|0,1,1]=4 7040 B13R0.336 CCCCCCCCCOCCCF 34a_100000759539_100011214924 [1,1,0,0,0,0|0,1,1]=4 7041 B13R0.336 CCCCCCCCCOCCCF 7a_100000210712_100011934791 [1,1,0,0,0,0|0,1,1]=4 7042 B13R0.336 CCCCCCCCCOCCCN 34a_100000182051_100011214924 [1,1,0,0,0,0|1,0,1]=4 7043 B13R0.336 CCCCCCCCCOCCCO 34a_100000210712_100000230001 [1,1,0,0,0,0|0,0,2]=4 7044 B13R0.336 CCCCCCCCCOCCCO 7a_100000210712_100011215043 [1,1,0,0,0,0|0,0,2]=4 7045 B13R0.336 CCCCCCCCCOCCOC 34a_100000210237_100011214924 [1,1,0,0,0,0|2,0,0]=4 7046 B13R0.336 CCCCCCCCCOCCOC 34a_100000210712_100011201679 [1,1,0,0,0,0|2,0,0]=4 7047 B13R0.336 CCCCCCCCCOCCOC 7a_100000210712_100000233755 [1,1,0,0,0,0|2,0,0]=4 7048 B13R0.336 CCCCCCCCCOCCON 34a_100000700252_100011214924 [1,1,0,0,0,0|2,0,0]=4 7049 B13R0.336 CCCCCCCCCOCCSC 34a_100000210712_100000212216 [1,1,0,0,0,0|2,0,0]=4 7050 B13R0.336 CCCCCCCCCOCCSC 34a_100000230434_100011214924 [1,1,0,0,0,0|2,0,0]=4 7051 B13R0.336 CCCCCCCCCOCCSC 7a_100000210712_100000212216 [1,1,0,0,0,0|2,0,0]=4 7052 B13R0.336 CCCCCCCCCOCCSC 7a_100000230434_100000210328 [1,1,0,0,0,0|2,0,0]=4 7053 B13R0.336 CCCCCCCCCSCCC#N 62a_100011215226_100000210670 [1,1,0,0,0,0|1,0,1]=4 7054 B13R0.336 CCCCCCCCCSCCCF 62a_100011934791_100000210670 [1,1,0,0,0,0|0,1,1]=4 7055 B13R0.336 CCCCCCCCCSCCCO 62a_100011215043_100000210670 [1,1,0,0,0,0|0,0,2]=4 7056 B13R0.336 CCCCCCCCCSCCOC 62a_100000233755_100000210670 [1,1,0,0,0,0|2,0,0]=4 7057 B13R0.336 CCCCCCCCCSCCSC 62a_100000212216_100000210670 [1,1,0,0,0,0|2,0,0]=4 7058 B13R0.336 CCCCCCCCNCCCC#N 2230a_100000229939_100000687738 [1,1,0,0,0,0|1,0,1]=4 7059 B13R0.336 CCCCCCCCNCCCC=O 2230a_100000229939_200011292268 [1,1,0,0,0,0|0,0,0]=2 7060 B13R0.336 CCCCCCCCNCCCCC 2230a_100000209983_100000210759 [1,1,0,0,0,0|1,0,1]=4 7061 B13R0.336 CCCCCCCCNCCCCC 2230a_100000229939_100000210326 [1,1,0,0,0,0|1,0,1]=4 7062 B13R0.336 CCCCCCCCNCCCCC 34a_100000229939_100000718602 [1,1,0,0,0,0|1,0,1]=4 7063 B13R0.336 CCCCCCCCNCCCCF 2230a_100000229939_100000729493 [1,1,0,0,0,0|0,1,1]=4 7064 B13R0.336 CCCCCCCCNCCCCF 34a_100000229939_100000729493 [1,1,0,0,0,0|0,1,1]=4 7065 B13R0.336 CCCCCCCCNCCCCO 2230a_100000229939_100000210776 [1,1,0,0,0,0|0,0,2]=4 7066 B13R0.336 CCCCCCCCNCCCCO 2230a_100000750430_100000210759 [1,1,0,0,0,0|0,0,2]=4 7067 B13R0.336 CCCCCCCCNCCCCO 34a_100000229939_100011216708 [1,1,0,0,0,0|0,0,2]=4 7068 B13R0.336 CCCCCCCCNCCCCO 34a_100000750430_100000210759 [1,1,0,0,0,0|0,0,2]=4 7069 B13R0.336 CCCCCCCCNCCCOC 2230a_100000229939_100000740836 [1,1,0,0,0,0|2,0,0]=4 7070 B13R0.336 CCCCCCCCNCCCOC 34a_100000229939_100000740836 [1,1,0,0,0,0|2,0,0]=4 7071 B13R0.336 CCCCCCCCNCCCOC 34a_100150723488_100000210759 [1,1,0,0,0,0|2,0,0]=4 7072 B13R0.336 CCCCCCCCNCCCSC 2230a_100000749238_100000210759 [1,1,0,0,0,0|2,0,0]=4 7073 B13R0.336 CCCCCCCCOCCCC#N 7a_100000210232_100000687738 [1,1,0,0,0,0|1,0,1]=4 7074 B13R0.336 CCCCCCCCOCCCC=O 7a_100000210232_200011292268 [1,1,0,0,0,0|0,0,0]=2 7075 B13R0.336 CCCCCCCCOCCCCBr 34a_100011216708_100000210759 [1,1,0,0,0,0|0,1,1]=4 7076 B13R0.336 CCCCCCCCOCCCCC 34a_100000210232_100000718602 [1,1,0,0,0,0|1,0,1]=4 7077 B13R0.336 CCCCCCCCOCCCCC 34a_100000210253_100000210759 [1,1,0,0,0,0|1,0,1]=4 7078 B13R0.336 CCCCCCCCOCCCCC 7a_100000210232_100000210326 [1,1,0,0,0,0|1,0,1]=4 7079 B13R0.336 CCCCCCCCOCCCCC 7a_100000210253_100000210759 [1,1,0,0,0,0|1,0,1]=4 7080 B13R0.336 CCCCCCCCOCCCCCl 34a_100000210776_100000210759 [1,1,0,0,0,0|0,0,1]=3 7081 B13R0.336 CCCCCCCCOCCCCCl 7a_100000210776_100000210759 [1,1,0,0,0,0|0,0,1]=3 7082 B13R0.336 CCCCCCCCOCCCCF 34a_100000210232_100000729493 [1,1,0,0,0,0|0,1,1]=4 7083 B13R0.336 CCCCCCCCOCCCCF 34a_100011995726_100000210759 [1,1,0,0,0,0|0,1,1]=4 7084 B13R0.336 CCCCCCCCOCCCCF 7a_100000210232_100000729493 [1,1,0,0,0,0|0,1,1]=4 7085 B13R0.336 CCCCCCCCOCCCCF 7a_100011995726_100000210759 [1,1,0,0,0,0|0,1,1]=4 7086 B13R0.336 CCCCCCCCOCCCCI 34a_200012148704_100000210759 [1,1,0,0,0,0|0,1,1]=4 7087 B13R0.336 CCCCCCCCOCCCCN 34a_100000750430_100000210759 [1,1,0,0,0,0|1,0,1]=4 7088 B13R0.336 CCCCCCCCOCCCCO 34a_100000210232_100011216708 [1,1,0,0,0,0|0,0,2]=4 7089 B13R0.336 CCCCCCCCOCCCCO 7a_100000210232_100000210776 [1,1,0,0,0,0|0,0,2]=4 7090 B13R0.336 CCCCCCCCOCCCNC 34a_100000213112_100000210759 [1,1,0,0,0,0|2,0,0]=4 7091 B13R0.336 CCCCCCCCOCCCOC 34a_100000210232_100000740836 [1,1,0,0,0,0|2,0,0]=4 7092 B13R0.336 CCCCCCCCOCCCOC 34a_100000740835_100000210759 [1,1,0,0,0,0|2,0,0]=4 7093 B13R0.336 CCCCCCCCOCCCOC 7a_100000210232_100000740836 [1,1,0,0,0,0|2,0,0]=4 7094 B13R0.336 CCCCCCCCOCCCSC 34a_100000690336_100000210759 [1,1,0,0,0,0|2,0,0]=4 7095 B13R0.336 CCCCCCCCOCCCSC 7a_100000690336_100000210759 [1,1,0,0,0,0|2,0,0]=4 7096 B13R0.336 CCCCCCCCSCCCC#N 62a_100000210759_100000687738 [1,1,0,0,0,0|1,0,1]=4 7097 B13R0.336 CCCCCCCCSCCCC#N 62a_100000687738_100000210317 [1,1,0,0,0,0|1,0,1]=4 7098 B13R0.336 CCCCCCCCSCCCC=O 62a_100000210759_200011292268 [1,1,0,0,0,0|0,0,0]=2 7099 B13R0.336 CCCCCCCCSCCCC=O 62a_200011292268_100000210317 [1,1,0,0,0,0|0,0,0]=2 7100 B13R0.336 CCCCCCCCSCCCCF 62a_100000210759_100000729493 [1,1,0,0,0,0|0,1,1]=4 7101 B13R0.336 CCCCCCCCSCCCCF 62a_100000729493_100000210317 [1,1,0,0,0,0|0,1,1]=4 7102 B13R0.336 CCCCCCCCSCCCCO 62a_100000210759_100000210776 [1,1,0,0,0,0|0,0,2]=4 7103 B13R0.336 CCCCCCCCSCCCCO 62a_100000210776_100000210317 [1,1,0,0,0,0|0,0,2]=4 7104 B13R0.336 CCCCCCCCSCCCOC 62a_100000210759_100000709357 [1,1,0,0,0,0|2,0,0]=4 7105 B13R0.336 CCCCCCCCSCCCOC 62a_100000709357_100000210317 [1,1,0,0,0,0|2,0,0]=4 7106 B13R0.336 CCCCCCCNCCCCC#N 2230a_100000229938_100000211819 [1,1,0,0,0,0|1,0,1]=4 7107 B13R0.336 CCCCCCCNCCCCC=O 2230a_100000229938_100000139335 [1,1,0,0,0,0|0,0,0]=2 7108 B13R0.336 CCCCCCCNCCCCCC 2230a_100000210581_100000210681 [1,1,0,0,0,0|1,0,1]=4 7109 B13R0.336 CCCCCCCNCCCCCC 2230a_100000229938_100000210314 [1,1,0,0,0,0|1,0,1]=4 7110 B13R0.336 CCCCCCCNCCCCCF 2230a_100000229938_100000729378 [1,1,0,0,0,0|0,1,1]=4 7111 B13R0.336 CCCCCCCNCCCCCO 2230a_100000229938_100000746330 [1,1,0,0,0,0|0,0,2]=4 7112 B13R0.336 CCCCCCCNCCCCCO 2230a_100000762737_100000210681 [1,1,0,0,0,0|0,0,2]=4 7113 B13R0.336 CCCCCCCNCCCCCO 34a_100000762737_100000210614 [1,1,0,0,0,0|0,0,2]=4 7114 B13R0.336 CCCCCCCNCCCCOC 2230a_100000229938_100000730899 [1,1,0,0,0,0|2,0,0]=4 7115 B13R0.336 CCCCCCCOCCCCC#N 7a_100000210272_100000211819 [1,1,0,0,0,0|1,0,1]=4 7116 B13R0.336 CCCCCCCOCCCCC=O 7a_100000210272_100000139335 [1,1,0,0,0,0|0,0,0]=2 7117 B13R0.336 CCCCCCCOCCCCCBr 34a_100000746331_100000210614 [1,1,0,0,0,0|0,1,1]=4 7118 B13R0.336 CCCCCCCOCCCCCBr 7a_100000746331_100000210614 [1,1,0,0,0,0|0,1,1]=4 7119 B13R0.336 CCCCCCCOCCCCCC 34a_100000210259_100000210614 [1,1,0,0,0,0|1,0,1]=4 7120 B13R0.336 CCCCCCCOCCCCCC 34a_100000210272_100000210314 [1,1,0,0,0,0|1,0,1]=4 7121 B13R0.336 CCCCCCCOCCCCCC 7a_100000210259_100000210614 [1,1,0,0,0,0|1,0,1]=4 7122 B13R0.336 CCCCCCCOCCCCCC 7a_100000210272_100000210314 [1,1,0,0,0,0|1,0,1]=4 7123 B13R0.336 CCCCCCCOCCCCCCl 34a_100000746330_100000210614 [1,1,0,0,0,0|0,0,1]=3 7124 B13R0.336 CCCCCCCOCCCCCCl 7a_100000746330_100000210614 [1,1,0,0,0,0|0,0,1]=3 7125 B13R0.336 CCCCCCCOCCCCCF 34a_100000210272_100000729378 [1,1,0,0,0,0|0,1,1]=4 7126 B13R0.336 CCCCCCCOCCCCCF 7a_100000210272_100000729378 [1,1,0,0,0,0|0,1,1]=4 7127 B13R0.336 CCCCCCCOCCCCCI 34a_200012148887_100000210614 [1,1,0,0,0,0|0,1,1]=4 7128 B13R0.336 CCCCCCCOCCCCCI 7a_200012148887_100000210614 [1,1,0,0,0,0|0,1,1]=4 7129 B13R0.336 CCCCCCCOCCCCCN 34a_100000762737_100000210614 [1,1,0,0,0,0|1,0,1]=4 7130 B13R0.336 CCCCCCCOCCCCCO 34a_100000210272_100000746330 [1,1,0,0,0,0|0,0,2]=4 7131 B13R0.336 CCCCCCCOCCCCCO 7a_100000210272_100000746330 [1,1,0,0,0,0|0,0,2]=4 7132 B13R0.336 CCCCCCCOCCCCOC 34a_100000210272_100000755781 [1,1,0,0,0,0|2,0,0]=4 7133 B13R0.336 CCCCCCCOCCCCOC 34a_100000740925_100000210614 [1,1,0,0,0,0|2,0,0]=4 7134 B13R0.336 CCCCCCCOCCCCOC 7a_100000210272_100000730899 [1,1,0,0,0,0|2,0,0]=4 7135 B13R0.336 CCCCCCCOCCCCSC 34a_100011217163_100000210614 [1,1,0,0,0,0|2,0,0]=4 7136 B13R0.336 CCCCCCCOCCCCSC 7a_100011217163_100000210614 [1,1,0,0,0,0|2,0,0]=4 7137 B13R0.336 CCCCCCCOCCOCCCl 34a_100011215305_100000210614 [1,1,0,0,0,0|1,0,1]=4 7138 B13R0.336 CCCCCCCOCCOCCCl 7a_100011215305_100000210614 [1,1,0,0,0,0|1,0,1]=4 7139 B13R0.336 CCCCCCCSCCCCC#N 62a_100000210614_100000211819 [1,1,0,0,0,0|1,0,1]=4 7140 B13R0.336 CCCCCCCSCCCCC#N 62a_100011219923_100000210316 [1,1,0,0,0,0|1,0,1]=4 7141 B13R0.336 CCCCCCCSCCCCC=O 62a_100000139335_100000210316 [1,1,0,0,0,0|0,0,0]=2 7142 B13R0.336 CCCCCCCSCCCCC=O 62a_100000210614_100000139335 [1,1,0,0,0,0|0,0,0]=2 7143 B13R0.336 CCCCCCCSCCCCCF 62a_100000210614_100000729378 [1,1,0,0,0,0|0,1,1]=4 7144 B13R0.336 CCCCCCCSCCCCCF 62a_100000729378_100000210316 [1,1,0,0,0,0|0,1,1]=4 7145 B13R0.336 CCCCCCCSCCCCCO 62a_100000210614_100000746330 [1,1,0,0,0,0|0,0,2]=4 7146 B13R0.336 CCCCCCCSCCCCCO 62a_100000746330_100000210316 [1,1,0,0,0,0|0,0,2]=4 7147 B13R0.336 CCCCCCCSCCCCOC 62a_100000210614_100000730899 [1,1,0,0,0,0|2,0,0]=4 7148 B13R0.336 CCCCCCCSCCCCOC 62a_100000730899_100000210316 [1,1,0,0,0,0|2,0,0]=4 7149 B13R0.336 CCCCCCNCCCCCC#N 2230a_100000210581_100009813376 [1,1,0,0,0,0|1,0,1]=4 7150 B13R0.336 CCCCCCNCCCCCC=O 2230a_100000210581_100000139337 [1,1,0,0,0,0|0,0,0]=2 7151 B13R0.336 CCCCCCNCCCCCCF 2230a_100000210581_100015922095 [1,1,0,0,0,0|0,1,1]=4 7152 B13R0.336 CCCCCCNCCCCCCO 2230a_100000210581_100000766143 [1,1,0,0,0,0|0,0,2]=4 7153 B13R0.336 CCCCCCNCCCCCCO 2230a_100000686447_100000210314 [1,1,0,0,0,0|0,0,2]=4 7154 B13R0.336 CCCCCCNCCCCCCO 34a_100000686447_100000210314 [1,1,0,0,0,0|0,0,2]=4 7155 B13R0.336 CCCCCCNCCCCCOC 2230a_100000747528_100000210314 [1,1,0,0,0,0|2,0,0]=4 7156 B13R0.336 CCCCCCNCCCCCOC 34a_100000747528_100000210314 [1,1,0,0,0,0|2,0,0]=4 7157 B13R0.336 CCCCCCOCCCCCC#N 7a_100000210259_100009813376 [1,1,0,0,0,0|1,0,1]=4 7158 B13R0.336 CCCCCCOCCCCCC=O 7a_100000210259_100000139337 [1,1,0,0,0,0|0,0,0]=2 7159 B13R0.336 CCCCCCOCCCCCCBr 34a_100011215345_100000210314 [1,1,0,0,0,0|0,1,1]=4 7160 B13R0.336 CCCCCCOCCCCCCBr 7a_100011215345_100000210314 [1,1,0,0,0,0|0,1,1]=4 7161 B13R0.336 CCCCCCOCCCCCCCl 34a_100000766143_100000210314 [1,1,0,0,0,0|0,0,1]=3 7162 B13R0.336 CCCCCCOCCCCCCCl 7a_100000766143_100000210314 [1,1,0,0,0,0|0,0,1]=3 7163 B13R0.336 CCCCCCOCCCCCCF 34a_100000210259_100015922095 [1,1,0,0,0,0|0,1,1]=4 7164 B13R0.336 CCCCCCOCCCCCCF 34a_100000732779_100000210314 [1,1,0,0,0,0|0,1,1]=4 7165 B13R0.336 CCCCCCOCCCCCCF 7a_100000210259_100015922095 [1,1,0,0,0,0|0,1,1]=4 7166 B13R0.336 CCCCCCOCCCCCCF 7a_100000732779_100000210314 [1,1,0,0,0,0|0,1,1]=4 7167 B13R0.336 CCCCCCOCCCCCCN 34a_100000686447_100000210314 [1,1,0,0,0,0|1,0,1]=4 7168 B13R0.336 CCCCCCOCCCCCCO 34a_100000210259_100000766143 [1,1,0,0,0,0|0,0,2]=4 7169 B13R0.336 CCCCCCOCCCCCCO 7a_100000210259_100000766143 [1,1,0,0,0,0|0,0,2]=4 7170 B13R0.336 CCCCCCOCCCCCNC 34a_100000722520_100000210314 [1,1,0,0,0,0|2,0,0]=4 7171 B13R0.336 CCCCCCSCCCCCC#N 62a_100000210314_100009813376 [1,1,0,0,0,0|1,0,1]=4 7172 B13R0.336 CCCCCCSCCCCCC#N 62a_100009813376_100000210757 [1,1,0,0,0,0|1,0,1]=4 7173 B13R0.336 CCCCCCSCCCCCC=O 62a_100000139337_100000210757 [1,1,0,0,0,0|0,0,0]=2 7174 B13R0.336 CCCCCCSCCCCCC=O 62a_100000210314_100000139337 [1,1,0,0,0,0|0,0,0]=2 7175 B13R0.336 CCCCCCSCCCCCCF 62a_100000210314_100015922095 [1,1,0,0,0,0|0,1,1]=4 7176 B13R0.336 CCCCCCSCCCCCCF 62a_100015922095_100000210757 [1,1,0,0,0,0|0,1,1]=4 7177 B13R0.336 CCCCCCSCCCCCCO 62a_100000210314_100000766143 [1,1,0,0,0,0|0,0,2]=4 7178 B13R0.336 CCCCCCSCCCCCCO 62a_100000766143_100000210757 [1,1,0,0,0,0|0,0,2]=4 7179 B13R0.336 CCCCCNCCCCCCC#N 2230a_100000209983_100009813337 [1,1,0,0,0,0|1,0,1]=4 7180 B13R0.336 CCCCCNCCCCCCCO 2230a_100000209983_100000760002 [1,1,0,0,0,0|0,0,2]=4 7181 B13R0.336 CCCCCNCCCCCCCO 2230a_100011996573_100000210326 [1,1,0,0,0,0|0,0,2]=4 7182 B13R0.336 CCCCCNCCCCCCCO 34a_100011996573_100000718602 [1,1,0,0,0,0|0,0,2]=4 7183 B13R0.336 CCCCCNCCCCCCOC 2230a_100000209983_100011998445 [1,1,0,0,0,0|2,0,0]=4 7184 B13R0.336 CCCCCOCCCCCCC#N 7a_100000210253_100009813337 [1,1,0,0,0,0|1,0,1]=4 7185 B13R0.336 CCCCCOCCCCCCCBr 34a_100000760002_100000718602 [1,1,0,0,0,0|0,1,1]=4 7186 B13R0.336 CCCCCOCCCCCCCBr 7a_100000760002_100000210326 [1,1,0,0,0,0|0,1,1]=4 7187 B13R0.336 CCCCCOCCCCCCCN 34a_100011996573_100000718602 [1,1,0,0,0,0|1,0,1]=4 7188 B13R0.336 CCCCCOCCCCCCCO 34a_100000210253_100000760002 [1,1,0,0,0,0|0,0,2]=4 7189 B13R0.336 CCCCCOCCCCCCCO 7a_100000210253_100000760002 [1,1,0,0,0,0|0,0,2]=4 7190 B13R0.336 CCCCCOCCCCCCOC 34a_100000210253_100011998445 [1,1,0,0,0,0|2,0,0]=4 7191 B13R0.336 CCCCCOCCCCCCOC 34a_200012092642_100000718602 [1,1,0,0,0,0|2,0,0]=4 7192 B13R0.336 CCCCCOCCCCCCOC 7a_100000210253_100011998445 [1,1,0,0,0,0|2,0,0]=4 7193 B13R0.336 CCCCCOCCCCCCOC 7a_200012092642_100000210326 [1,1,0,0,0,0|2,0,0]=4 7194 B13R0.336 CCCCCOCCOCCCC=O 7a_100011215259_200011292268 [1,1,0,0,0,0|1,0,0]=3 7195 B13R0.336 CCCCCSCCCCCCC#N 62a_100000210326_100009813337 [1,1,0,0,0,0|1,0,1]=4 7196 B13R0.336 CCCCCSCCCCCCC#N 62a_100009813337_100000210326 [1,1,0,0,0,0|1,0,1]=4 7197 B13R0.336 CCCCCSCCCCCCCO 62a_100000210326_100000760002 [1,1,0,0,0,0|0,0,2]=4 7198 B13R0.336 CCCCCSCCCCCCCO 62a_100000760002_100000210326 [1,1,0,0,0,0|0,0,2]=4 7199 B13R0.336 CCCCCSCCCCCCOC 62a_100000210326_100011998445 [1,1,0,0,0,0|2,0,0]=4 7200 B13R0.336 CCCCCSCCCCCCOC 62a_100011998445_100000210326 [1,1,0,0,0,0|2,0,0]=4 7201 B13R0.336 CCCCNCCCCCCCCO 2230a_100000102301_100000033203 [1,1,0,0,0,0|0,0,2]=4 7202 B13R0.336 CCCCNCCCCCCCCO 2230a_102515433106_100000210211 [1,1,0,0,0,0|0,0,2]=4 7203 B13R0.336 CCCCNCCCCCCCCO 34a_102515433106_100000210210 [1,1,0,0,0,0|0,0,2]=4 7204 B13R0.336 CCCCNCCCCCCCCO 7a_106832991798_100000033203 [1,1,0,0,0,0|0,0,2]=4 7205 B13R0.336 CCCCOCCCCCCCCBr 34a_100009813846_100000210210 [1,1,0,0,0,0|0,1,1]=4 7206 B13R0.336 CCCCOCCCCCCCCBr 7a_100009813846_100000210211 [1,1,0,0,0,0|0,1,1]=4 7207 B13R0.336 CCCCOCCCCCCCCCl 34a_100000033203_100000210210 [1,1,0,0,0,0|0,0,1]=3 7208 B13R0.336 CCCCOCCCCCCCCCl 7a_100000033203_100000210211 [1,1,0,0,0,0|0,0,1]=3 7209 B13R0.336 CCCCOCCCCCCCCN 34a_102515433106_100000210210 [1,1,0,0,0,0|1,0,1]=4 7210 B13R0.336 CCCCOCCCCCCCCO 34a_100000210227_100000033203 [1,1,0,0,0,0|0,0,2]=4 7211 B13R0.336 CCCCOCCCCCCCCO 7a_100000210227_100000033203 [1,1,0,0,0,0|0,0,2]=4 7212 B13R0.336 CCCCOCCCNCCCC=O 2230a_200000211371_200011292268 [1,1,0,0,0,0|1,0,0]=3 7213 B13R0.336 CCCCOCCCOCCCC=O 7a_200011215613_200011292268 [1,1,0,0,0,0|1,0,0]=3 7214 B13R0.336 CCCCOCCOCCCCC=O 7a_100000210238_100000139335 [1,1,0,0,0,0|1,0,0]=3 7215 B13R0.336 CCCCOCCOCCCCCCl 34a_100000746330_100000743108 [1,1,0,0,0,0|1,0,1]=4 7216 B13R0.336 CCCCOCCOCCCCCCl 7a_100000746330_100000743108 [1,1,0,0,0,0|1,0,1]=4 7217 B13R0.336 CCCCOCCOCCOCC=O 34a_100011215186_200009817547 [1,1,0,0,0,0|2,0,0]=4 7218 B13R0.336 CCCCOCCOCCOCC=O 7a_100011215186_200015260668 [1,1,0,0,0,0|2,0,0]=4 7219 B13R0.336 CCCCOCCSCCCCC=O 62a_100000139335_100000743108 [1,1,0,0,0,0|1,0,0]=3 7220 B13R0.336 CCCCOCCSCCCCC=O 62a_100000743108_100000139335 [1,1,0,0,0,0|1,0,0]=3 7221 B13R0.336 CCCCOCOCCCCCCCl 34a_100000766143_100011995733 [1,1,0,0,0,0|1,0,1]=4 7222 B13R0.336 CCCCOCSCCCCCC=O 62a_100000139337_100011995733 [1,1,0,0,0,0|1,0,0]=3 7223 B13R0.336 CCCCOCSCCCCCC=O 62a_100011995733_100000139337 [1,1,0,0,0,0|1,0,0]=3 7224 B13R0.336 CCCCSCCCCCCCCO 62a_100000033203_100000210210 [1,1,0,0,0,0|0,0,2]=4 7225 B13R0.336 CCCCSCCCCCCCCO 62a_100000210211_100000033203 [1,1,0,0,0,0|0,0,2]=4 7226 B13R0.336 CCCCSCCNCCCCC=O 2230a_100025743550_100000139335 [1,1,0,0,0,0|1,0,0]=3 7227 B13R0.336 CCCCSCCOCCCCC=O 7a_200000230436_100000139335 [1,1,0,0,0,0|1,0,0]=3 7228 B13R0.336 CCCNCCCCCCCCCO 2230a_100000078944_100000210303 [1,1,0,0,0,0|0,0,2]=4 7229 B13R0.336 CCCNCCCCCCCCCO 34a_100000078944_100000210303 [1,1,0,0,0,0|0,0,2]=4 7230 B13R0.336 CCCOCCCCCCCCCBr 34a_100009813782_100000210303 [1,1,0,0,0,0|0,1,1]=4 7231 B13R0.336 CCCOCCCCCCCCCBr 7a_100009813782_100000210303 [1,1,0,0,0,0|0,1,1]=4 7232 B13R0.336 CCCOCCCCCCCCCCl 34a_100009868337_100000210303 [1,1,0,0,0,0|0,0,1]=3 7233 B13R0.336 CCCOCCCCCCCCCCl 7a_100009868337_100000210303 [1,1,0,0,0,0|0,0,1]=3 7234 B13R0.336 CCCOCCCCCCCCCN 34a_100000078944_100000210303 [1,1,0,0,0,0|1,0,1]=4 7235 B13R0.336 CCCOCCCCCCCCCO 34a_100000210258_100009813782 [1,1,0,0,0,0|0,0,2]=4 7236 B13R0.336 CCCOCCCNCCCCC=O 2230a_100011217757_100000139335 [1,1,0,0,0,0|1,0,0]=3 7237 B13R0.336 CCCOCCNCCCCCC=O 2230a_100161115042_100000139337 [1,1,0,0,0,0|1,0,0]=3 7238 B13R0.336 CCCOCCOCCCCCC=O 7a_100000752267_100000139337 [1,1,0,0,0,0|1,0,0]=3 7239 B13R0.336 CCCOCCOCCCCCCCl 34a_100000766143_100011215938 [1,1,0,0,0,0|1,0,1]=4 7240 B13R0.336 CCCOCCOCCCCCCCl 7a_100000766143_100011215938 [1,1,0,0,0,0|1,0,1]=4 7241 B13R0.336 CCCOCCSCCCCCC=O 62a_100000139337_100011215938 [1,1,0,0,0,0|1,0,0]=3 7242 B13R0.336 CCCOCCSCCCCCC=O 62a_100011215938_100000139337 [1,1,0,0,0,0|1,0,0]=3 7243 B13R0.336 CCCSCCCCCCCCCO 62a_100000210303_100009813782 [1,1,0,0,0,0|0,0,2]=4 7244 B13R0.336 CCCSCCCCCCCCCO 62a_100009813782_100000210303 [1,1,0,0,0,0|0,0,2]=4 7245 B13R0.336 CCCSCCNCCCCCC=O 2230a_100020603323_100000139337 [1,1,0,0,0,0|1,0,0]=3 7246 B13R0.336 CCCSCCOCCCCCC=O 7a_200000230433_100000139337 [1,1,0,0,0,0|1,0,0]=3 7247 B13R0.336 CCNCCCCCCCCCCO 2230a_100000066964_100000210202 [1,1,0,0,0,0|0,0,2]=4 7248 B13R0.336 CCNCCCCCCCCCCO 2230a_100015525214_100009813290 [1,1,0,0,0,0|0,0,2]=4 7249 B13R0.336 CCNCCCCCCCCCCO 34a_100000066964_100000210202 [1,1,0,0,0,0|0,0,2]=4 7250 B13R0.336 CCOCCCCCCCCCCBr 34a_100009813290_100000210202 [1,1,0,0,0,0|0,1,1]=4 7251 B13R0.336 CCOCCCCCCCCCCBr 7a_100009813290_100000210202 [1,1,0,0,0,0|0,1,1]=4 7252 B13R0.336 CCOCCCCCCCCCCCl 34a_200000033068_100000210202 [1,1,0,0,0,0|0,0,1]=3 7253 B13R0.336 CCOCCCCCCCCCCCl 7a_200000033068_100000210202 [1,1,0,0,0,0|0,0,1]=3 7254 B13R0.336 CCOCCCCCCCCCCN 34a_100000066964_100000210202 [1,1,0,0,0,0|1,0,1]=4 7255 B13R0.336 CCOCCCCCCCCCCO 34a_100121572206_100009813290 [1,1,0,0,0,0|0,0,2]=4 7256 B13R0.336 CCOCCCCCCCCCOC 34a_100009875440_200000210301 [1,1,0,0,0,0|2,0,0]=4 7257 B13R0.336 CCOCCCCCCCCCOC 7a_100009875440_200000210301 [1,1,0,0,0,0|2,0,0]=4 7258 B13R0.336 CCOCCCCCCCCCO[13CH3] 34a_100009875440_200025704644 [1,1,0,0,0,0|2,0,0]=4 7259 B13R0.336 CCOCCCCCCCCCO[13CH3] 7a_100009875440_200025704644 [1,1,0,0,0,0|2,0,0]=4 7260 B13R0.336 CCOCCCNCCCCCC=O 2230a_100000210961_100000139337 [1,1,0,0,0,0|1,0,0]=3 7261 B13R0.336 CCOCCCOCCCCCC=O 7a_100000757476_100000139337 [1,1,0,0,0,0|1,0,0]=3 7262 B13R0.336 CCOCCCOCCCCCCCl 34a_100000766143_100012232248 [1,1,0,0,0,0|1,0,1]=4 7263 B13R0.336 CCOCCCOCCCCCCCl 7a_100000766143_100012232248 [1,1,0,0,0,0|1,0,1]=4 7264 B13R0.336 CCOCCCSCCCCCC=O 62a_100000139337_100012232248 [1,1,0,0,0,0|1,0,0]=3 7265 B13R0.336 CCOCCCSCCCCCC=O 62a_100012232248_100000139337 [1,1,0,0,0,0|1,0,0]=3 7266 B13R0.336 CCOCCOCCNCCCC=O 2230a_100102712874_200011292268 [1,1,0,0,0,0|2,0,0]=4 7267 B13R0.336 CCOCCOCCOCCCC=O 7a_100000210240_200011292268 [1,1,0,0,0,0|2,0,0]=4 7268 B13R0.336 CCOCCOCCSCCCC=O 62a_100011211534_200011292268 [1,1,0,0,0,0|2,0,0]=4 7269 B13R0.336 CCOCCOCCSCCCC=O 62a_200011292268_100011211534 [1,1,0,0,0,0|2,0,0]=4 7270 B13R0.336 CCSCCCCCCCCCCO 62a_100000210202_200000033068 [1,1,0,0,0,0|0,0,2]=4 7271 B13R0.336 CCSCCCCCCCCCCO 62a_100009813290_100000210202 [1,1,0,0,0,0|0,0,2]=4 7272 B13R0.336 CCSCCCOCCCCCC=O 7a_100011216438_100000139337 [1,1,0,0,0,0|1,0,0]=3 7273 B13R0.336 CNCCCCCCCCCCCO 2230a_106832991635_100009812471 [1,1,0,0,0,0|0,0,2]=4 7274 B13R0.336 CNCCCCCCCCCCCO 34a_100102657272_100009812471 [1,1,0,0,0,0|0,0,2]=4 7275 B13R0.336 CNCCCCCCCCCCCO 7a_106832991635_100009812471 [1,1,0,0,0,0|0,0,2]=4 7276 B13R0.336 COCCCCCCCCCCCBr 34a_100009812471_200000210301 [1,1,0,0,0,0|0,1,1]=4 7277 B13R0.336 COCCCCCCCCCCCBr 7a_100009812471_200000210301 [1,1,0,0,0,0|0,1,1]=4 7278 B13R0.336 COCCCCCCCCCCCO 34a_100138415774_100009812471 [1,1,0,0,0,0|0,0,2]=4 7279 B13R0.336 COCCCCCCOCCCC=O 7a_200012092642_200011292268 [1,1,0,0,0,0|1,0,0]=3 7280 B13R0.336 COCCCCCCOCCCCCl 34a_100000210776_100011998445 [1,1,0,0,0,0|1,0,1]=4 7281 B13R0.336 COCCCCCCOCCCCCl 7a_100000210776_100011998445 [1,1,0,0,0,0|1,0,1]=4 7282 B13R0.336 COCCCCCCSCCCC=O 62a_100011998445_200011292268 [1,1,0,0,0,0|1,0,0]=3 7283 B13R0.336 COCCCCCCSCCCC=O 62a_200011292268_100011998445 [1,1,0,0,0,0|1,0,0]=3 7284 B13R0.336 COCCCCCNCCCCC=O 2230a_100000747528_100000139335 [1,1,0,0,0,0|1,0,0]=3 7285 B13R0.336 COCCCCOCCCCCCCl 34a_100000766143_100000755781 [1,1,0,0,0,0|1,0,1]=4 7286 B13R0.336 COCCCCOCCCCCCCl 7a_100000766143_100000730899 [1,1,0,0,0,0|1,0,1]=4 7287 B13R0.336 COCCCCSCCCCCC=O 62a_100000139337_100000730899 [1,1,0,0,0,0|1,0,0]=3 7288 B13R0.336 COCCCCSCCCCCC=O 62a_100000730899_100000139337 [1,1,0,0,0,0|1,0,0]=3 7289 B13R0.336 COCCOCCCCCCCCCl 34a_100000033203_100011201679 [1,1,0,0,0,0|1,0,1]=4 7290 B13R0.336 COCCOCCCCCCCCCl 7a_100000033203_100000233755 [1,1,0,0,0,0|1,0,1]=4 7291 B13R0.336 COCCOCCCNCCCC=O 2230a_100000206027_200011292268 [1,1,0,0,0,0|2,0,0]=4 7292 B13R0.336 COCCOCCCSCCCC=O 62a_100011216529_200011292268 [1,1,0,0,0,0|2,0,0]=4 7293 B13R0.336 COCCOCCCSCCCC=O 62a_200011292268_100011216529 [1,1,0,0,0,0|2,0,0]=4 7294 B13R0.336 COCCOCCNCCCCC=O 2230a_100000745349_100000139335 [1,1,0,0,0,0|2,0,0]=4 7295 B13R0.336 COCCOCCOCCCCC=O 7a_100011215163_100000139335 [1,1,0,0,0,0|2,0,0]=4 7296 B13R0.336 COCCOCCSCCCCC=O 62a_100000139335_100000695917 [1,1,0,0,0,0|2,0,0]=4 7297 B13R0.336 COCCOCCSCCCCC=O 62a_100000695917_100000139335 [1,1,0,0,0,0|2,0,0]=4 7298 B13R0.336 COCCOCSCCCCCC=O 62a_100000139337_100000231047 [1,1,0,0,0,0|2,0,0]=4 7299 B13R0.336 COCCOCSCCCCCC=O 62a_100000231047_100000139337 [1,1,0,0,0,0|2,0,0]=4 7300 B13R0.336 CSCCCCCCCCCCCO 62a_100009812471_200000210301 [1,1,0,0,0,0|0,0,2]=4 7301 B13R0.336 CSCCCCOCCCCCC=O 7a_100011217163_100000139337 [1,1,0,0,0,0|1,0,0]=3 7302 B13R0.336 CSCCOCCCCCCCCCl 34a_100000033203_100000212216 [1,1,0,0,0,0|1,0,1]=4 7303 B13R0.336 CSCCOCCCCCCCCCl 7a_100000033203_100000212216 [1,1,0,0,0,0|1,0,1]=4 7304 B13R0.336 CSCOCCCCCCCCCCl 34a_100009868337_100011218213 [1,1,0,0,0,0|1,0,1]=4 7305 B13R0.336 FCCCCCCOCCCCCCl 34a_100000746330_100015922095 [1,1,0,0,0,0|1,0,1]=4 7306 B13R0.336 FCCCCCCOCCCCCCl 7a_100000746330_100015922095 [1,1,0,0,0,0|1,0,1]=4 7307 B13R0.336 FCCCCCOCCCCCCCl 34a_100000766143_100000729378 [1,1,0,0,0,0|1,0,1]=4 7308 B13R0.336 FCCCCCOCCCCCCCl 7a_100000766143_100000729378 [1,1,0,0,0,0|1,0,1]=4 7309 B13R0.336 FCCCOCCCCCCCCCl 34a_100000033203_100011934791 [1,1,0,0,0,0|1,0,1]=4 7310 B13R0.336 FCCCOCCCCCCCCCl 7a_100000033203_100011934791 [1,1,0,0,0,0|1,0,1]=4 7311 B13R0.336 FCCOCCCCCCCCCCl 34a_100009868337_100011217306 [1,1,0,0,0,0|1,0,1]=4 7312 B13R0.336 FCCOCCCCCCCCCCl 7a_100009868337_100011217306 [1,1,0,0,0,0|1,0,1]=4 7313 B13R0.336 FCOCCCCCCCCCCCl 34a_200000033068_100015361967 [1,1,0,0,0,0|1,0,1]=4 7314 B13R0.336 FCOCCCCCCCCCCCl 7a_200000033068_100015361967 [1,1,0,0,0,0|1,0,1]=4 7315 B13R0.336 N#CCCCCCCSCCCC=O 62a_100009813337_200011292268 [1,1,0,0,0,0|1,0,1]=4 7316 B13R0.336 N#CCCCCCCSCCCC=O 62a_200011292268_100009813337 [1,1,0,0,0,0|1,0,1]=4 7317 B13R0.336 N#CCCCCCSCCCCC=O 62a_100000139335_100009813376 [1,1,0,0,0,0|1,0,1]=4 7318 B13R0.336 N#CCCCCCSCCCCC=O 62a_100009813376_100000139335 [1,1,0,0,0,0|1,0,1]=4 7319 B13R0.336 N#CCCCCSCCCCCC=O 62a_100000139337_100000211819 [1,1,0,0,0,0|1,0,1]=4 7320 B13R0.336 N#CCCCCSCCCCCC=O 62a_100011219923_100000139337 [1,1,0,0,0,0|1,0,1]=4 7321 B13R0.336 NCCCCCCCCCOCC=O 34a_100000078944_200009817547 [1,1,0,0,0,0|1,0,0]=3 7322 B13R0.336 O=CCCCCCNCCCCCO 2230a_100000762737_100000139337 [1,1,0,0,0,0|1,0,0]=3 7323 B13R0.336 O=CCCCCCNCCOCCO 2230a_100000211614_100000139337 [1,1,0,0,0,0|2,0,0]=4 7324 B13R0.336 O=CCCCCCNCCSCCO 2230a_100011219999_100000139337 [1,1,0,0,0,0|2,0,0]=4 7325 B13R0.336 O=CCCCCCOCCCCCBr 7a_100000746331_100000139337 [1,1,0,0,0,0|1,0,0]=3 7326 B13R0.336 O=CCCCCCOCCCCCCl 7a_100000746330_100000139337 [1,1,0,0,0,0|1,0,0]=3 7327 B13R0.336 O=CCCCCCOCCCCCI 7a_200012148887_100000139337 [1,1,0,0,0,0|1,0,0]=3 7328 B13R0.336 O=CCCCCCOCCOCCBr 7a_100000692535_100000139337 [1,1,0,0,0,0|2,0,0]=4 7329 B13R0.336 O=CCCCCCOCCOCCCl 7a_100011215305_100000139337 [1,1,0,0,0,0|2,0,0]=4 7330 B13R0.336 O=CCCCCCOCCOCCF 7a_200015357709_100000139337 [1,1,0,0,0,0|2,0,0]=4 7331 B13R0.336 O=CCCCCCOCCOCCI 7a_100012149058_100000139337 [1,1,0,0,0,0|2,0,0]=4 7332 B13R0.336 O=CCCCCCSCCCCC=O 62a_100000139335_100000139337 [1,1,0,0,0,0|1,0,1]=4 7333 B13R0.336 O=CCCCCCSCCCCC=O 62a_100000139337_100000139335 [1,1,0,0,0,0|1,0,1]=4 7334 B13R0.336 O=CCCCCCSCCCCCF 62a_100000139337_100000729378 [1,1,0,0,0,0|1,0,0]=3 7335 B13R0.336 O=CCCCCCSCCCCCF 62a_100000729378_100000139337 [1,1,0,0,0,0|1,0,0]=3 7336 B13R0.336 O=CCCCCCSCCCCCO 62a_100000139337_100000746330 [1,1,0,0,0,0|1,0,0]=3 7337 B13R0.336 O=CCCCCCSCCCCCO 62a_100000746330_100000139337 [1,1,0,0,0,0|1,0,0]=3 7338 B13R0.336 O=CCCCCCSCCOCCO 62a_100000139337_100011215305 [1,1,0,0,0,0|2,0,0]=4 7339 B13R0.336 O=CCCCCCSCCOCCO 62a_100011215305_100000139337 [1,1,0,0,0,0|2,0,0]=4 7340 B13R0.336 O=CCCCCNCCCCCCO 2230a_100000686447_100000139335 [1,1,0,0,0,0|1,0,0]=3 7341 B13R0.336 O=CCCCCOCCCCCCBr 7a_100011215345_100000139335 [1,1,0,0,0,0|1,0,0]=3 7342 B13R0.336 O=CCCCCOCCCCCCCl 7a_100000766143_100000139335 [1,1,0,0,0,0|1,0,0]=3 7343 B13R0.336 O=CCCCCOCCCCCCF 7a_100000732779_100000139335 [1,1,0,0,0,0|1,0,0]=3 7344 B13R0.336 O=CCCCCSCCCCCCF 62a_100000139335_100015922095 [1,1,0,0,0,0|1,0,0]=3 7345 B13R0.336 O=CCCCCSCCCCCCF 62a_100015922095_100000139335 [1,1,0,0,0,0|1,0,0]=3 7346 B13R0.336 O=CCCCCSCCCCCCO 62a_100000139335_100000766143 [1,1,0,0,0,0|1,0,0]=3 7347 B13R0.336 O=CCCCCSCCCCCCO 62a_100000766143_100000139335 [1,1,0,0,0,0|1,0,0]=3 7348 B13R0.336 O=CCCCNCCCCCCCO 2230a_100011996573_200011292268 [1,1,0,0,0,0|1,0,0]=3 7349 B13R0.336 O=CCCCNCCCOCCCO 2230a_100011310245_200011292268 [1,1,0,0,0,0|2,0,0]=4 7350 B13R0.336 O=CCCCOCCCCCCCBr 7a_100000760002_200011292268 [1,1,0,0,0,0|1,0,0]=3 7351 B13R0.336 O=CCCCSCCCCCCCO 62a_100000760002_200011292268 [1,1,0,0,0,0|1,0,0]=3 7352 B13R0.336 O=CCCCSCCCCCCCO 62a_200011292268_100000760002 [1,1,0,0,0,0|1,0,0]=3 7353 B13R0.336 O=CCNCCCCCCCCCO 2230a_100000078944_200015260668 [1,1,0,0,0,0|1,0,0]=3 7354 B13R0.336 O=CCNCCCCCCCCCO 34a_100000078944_200009817547 [1,1,0,0,0,0|1,0,0]=3 7355 B13R0.336 O=CCOCCCCCCCCCBr 34a_100009813782_200009817547 [1,1,0,0,0,0|1,0,0]=3 7356 B13R0.336 O=CCOCCCCCCCCCBr 7a_100009813782_200015260668 [1,1,0,0,0,0|1,0,0]=3 7357 B13R0.336 O=CCOCCCCCCCCCCl 34a_100009868337_200009817547 [1,1,0,0,0,0|1,0,0]=3 7358 B13R0.336 O=CCOCCCCCCCCCCl 7a_100009868337_200015260668 [1,1,0,0,0,0|1,0,0]=3 7359 B13R0.336 O=CCSCCCCCCCCCO 62a_100009813782_200015260668 [1,1,0,0,0,0|1,0,0]=3 7360 B13R0.336 O=CCSCCCCCCCCCO 62a_200015260668_100009813782 [1,1,0,0,0,0|1,0,0]=3 7361 B13R0.336 OCCCCCCCCOCCCCl 34a_100000230001_100000033203 [1,1,0,0,0,0|1,0,1]=4 7362 B13R0.336 OCCCCCCCOCCCCCl 34a_100000210776_100000760002 [1,1,0,0,0,0|1,0,1]=4 7363 B13R0.336 OCCCCCCCOCCCCCl 7a_100000210776_100000760002 [1,1,0,0,0,0|1,0,1]=4 7364 B13R0.336 OCCCCCCOCCCCCCl 34a_100000746330_100000766143 [1,1,0,0,0,0|1,0,1]=4 7365 B13R0.336 OCCCCCCOCCCCCCl 7a_100000746330_100000766143 [1,1,0,0,0,0|1,0,1]=4 7366 B13R0.336 OCCCCCOCCCCCCCl 34a_100000766143_100000746330 [1,1,0,0,0,0|1,0,1]=4 7367 B13R0.336 OCCCCCOCCCCCCCl 7a_100000766143_100000746330 [1,1,0,0,0,0|1,0,1]=4 7368 B13R0.336 OCCCOCCCCCCCCCl 34a_100000033203_100000230001 [1,1,0,0,0,0|1,0,1]=4 7369 B13R0.336 OCCCOCCCCCCCCCl 7a_100000033203_100011215043 [1,1,0,0,0,0|1,0,1]=4 7370 B13R0.336 OCCOCCCCCCCCCCl 34a_100009868337_100000211926 [1,1,0,0,0,0|1,0,1]=4 7371 B13R0.336 OCCOCCCCCCCCCCl 7a_100009868337_100000211926 [1,1,0,0,0,0|1,0,1]=4 7372 B13R0.336 [13CH3]OCCCCCCCCCCCBr 34a_100009812471_200025704644 [1,1,0,0,0,0|0,1,1]=4 7373 B13R0.336 [13CH3]OCCCCCCCCCCCBr 7a_100009812471_200025704644 [1,1,0,0,0,0|0,1,1]=4 7374 B13R0.336 [13CH3]SCCCCCCCCCCCO 62a_100009812471_200025704644 [1,1,0,0,0,0|0,0,2]=4 7375 B13R0.338 C=CCCCC(=O)CCCCCCC 1458a_100000211969_100000757094 [1,1,0,0,0,0|1,0,1]=4 7376 B13R0.338 C=CCCCC(=O)CCCCCCC 1458a_100000766728_100000210614 [1,1,0,0,0,0|1,0,1]=4 7377 B13R0.338 C=CCCCCCC(=O)CCCCC 1458a_100000212188_100000700193 [1,1,0,0,0,0|1,0,1]=4 7378 B13R0.338 C=CCCCCCC(=O)CCCCC 1458a_100011934241_100000210326 [1,1,0,0,0,0|1,0,1]=4 7379 B13R0.338 C=CCCCCCN(C)CCCCC 2230a_100000223495_100000700193 [1,1,0,0,0,0|2,0,0]=4 7380 B13R0.338 C=CCCCCCN(C)CCCCC 269982a_100000223495_100000700193 [1,1,0,0,0,0|2,0,0]=4 7381 B13R0.338 C=CCCCCNC(C)CCCCC 2230a_100000211957_100011215482 [1,1,0,0,0,0|2,0,0]=4 7382 B13R0.338 C=CCCCCNC(C)CCCCC 2230a_100000703577_200011218191 [1,1,0,0,0,0|2,0,0]=4 7383 B13R0.338 C=CCCCCNC(C)CCCCC 270004a_100000703577_100000211708 [1,1,0,0,0,0|2,0,0]=4 7384 B13R0.338 C=CCCCCNC(C)CCCCC 34a_100000703577_200011218191 [1,1,0,0,0,0|2,0,0]=4 7385 B13R0.338 C=CCCCCOC(C)CCCCC 34a_100000766645_200011218191 [1,1,0,0,0,0|2,0,0]=4 7386 B13R0.338 C=CCCCCOC(C)CCCCC 34a_100011215632_100011215482 [1,1,0,0,0,0|2,0,0]=4 7387 B13R0.338 C=CCCCCOC(C)CCCCC 7a_100000766645_200011218191 [1,1,0,0,0,0|2,0,0]=4 7388 B13R0.338 C=CCCCCOC(C)CCCCC 7a_100011215632_100011215482 [1,1,0,0,0,0|2,0,0]=4 7389 B13R0.338 C=CCCCN(C)CCCCCCC 2230a_100000228206_100011713584 [1,1,0,0,0,0|2,0,0]=4 7390 B13R0.338 C=CCCCN(C)CCCCCCC 269982a_100000228206_100000757094 [1,1,0,0,0,0|2,0,0]=4 7391 B13R0.338 C=CCCNC(C)CCCCCCC 2230a_100015191253_200011218727 [1,1,0,0,0,0|2,0,0]=4 7392 B13R0.338 C=CCCNC(C)CCCCCCC 270004a_100015191253_100000210596 [1,1,0,0,0,0|2,0,0]=4 7393 B13R0.338 C=CCCOC(C)CCCCCCC 34a_100011205117_200011218727 [1,1,0,0,0,0|2,0,0]=4 7394 B13R0.338 C=CCCOC(C)CCCCCCC 34a_200011215852_100000754431 [1,1,0,0,0,0|2,0,0]=4 7395 B13R0.338 C=CCCOC(C)CCCCCCC 7a_200011215852_100000754431 [1,1,0,0,0,0|2,0,0]=4 7396 B13R0.338 CCCCCC(=O)CSCCCC=O 62a_200011292268_200012276598 [1,1,0,0,0,0|1,0,1]=4 7397 B13R0.338 CCCCCC(=O)CSCCCC=O 62a_200012276598_200011292268 [1,1,0,0,0,0|1,0,1]=4 7398 B13R0.338 CCCCCC(C)NCCCCC=O 2230a_100000211957_100000139335 [1,1,0,0,0,0|1,0,0]=3 7399 B13R0.338 CCCCCC(C)OCCCCC=O 7a_100011215632_100000139335 [1,1,0,0,0,0|1,0,0]=3 7400 B13R0.338 CCCCCC(C)OCCCCCCl 34a_100000746330_200011218191 [1,1,0,0,0,0|1,0,1]=4 7401 B13R0.338 CCCCCC(C)OCCCCCCl 7a_100000746330_200011218191 [1,1,0,0,0,0|1,0,1]=4 7402 B13R0.338 CCCCCC(C)SCCCCC=O 62a_100000139335_200011218191 [1,1,0,0,0,0|1,0,0]=3 7403 B13R0.338 CCCCCC(C)SCCCCC=O 62a_200011218191_100000139335 [1,1,0,0,0,0|1,0,0]=3 7404 B13R0.338 CCCCCCCC(C)OCCCCl 34a_100000230001_200011218727 [1,1,0,0,0,0|1,0,1]=4 7405 B13R0.338 CCCCCCCN(C)CCCC=O 2230a_100000228206_200011292268 [1,1,0,0,0,0|1,0,0]=3 7406 B13R0.338 CCCCCCCN(C)CCCC=O 269982a_100000228206_200011292268 [1,1,0,0,0,0|1,0,0]=3 7407 B13R0.338 CCCCCN(C)CCCCCC=O 2230a_100000223495_100000139337 [1,1,0,0,0,0|1,0,0]=3 7408 B13R0.338 CCCCCN(C)CCCCCC=O 269982a_100000223495_100000139337 [1,1,0,0,0,0|1,0,0]=3 7409 B13R0.338 CN(CCCCO)CCCCCC=O 2230a_100000717598_100000139337 [1,1,0,0,0,0|2,0,0]=4 7410 B13R0.338 CN(CCCCO)CCCCCC=O 269982a_100000717598_100000139337 [1,1,0,0,0,0|2,0,0]=4 7411 B13R0.338 COCCCC(C)OCCCCC=O 7a_200011539412_100000139335 [1,1,0,0,0,0|2,0,0]=4 7412 B13R0.338 COCCCN(C)CCCCCC=O 2230a_100000224831_100000139337 [1,1,0,0,0,0|2,0,0]=4 7413 B13R0.338 COCCCN(C)CCCCCC=O 269982a_100000224831_100000139337 [1,1,0,0,0,0|2,0,0]=4 7414 B13R0.1 CCCCCCC(=O)CCCC(=O)C 1458a_100102632555_100011215641 [1,1,0,0,0,0|1,0,1]=4 7415 B13R0.1 CCCCCCC(=O)CCCC(=O)N 1458a_100102632555_100102525003 [1,1,0,0,0,0|1,0,1]=4 7416 B13R0.1 CCCCCCC(C)NCCC(=O)N 2230a_100000210919_100000744528 [1,1,0,0,0,0|2,0,0]=4 7417 B13R0.1 CCCCCCC(C)NCCC(=O)N 34a_100000210919_100000731001 [1,1,0,0,0,0|2,0,0]=4 7418 B13R0.1 CCCCCCC(C)OCCC(=O)C 34a_100000759926_100011215978 [1,1,0,0,0,0|2,0,0]=4 7419 B13R0.1 CCCCCCC(C)OCCC(=O)C 7a_100000210265_100000053229 [1,1,0,0,0,0|2,0,0]=4 7420 B13R0.1 CCCCCCC(C)OCCC(=O)C 7a_100000759926_100011215978 [1,1,0,0,0,0|2,0,0]=4 7421 B13R0.1 CCCCCCC(C)OCCC(=O)N 34a_100000210265_100000731001 [1,1,0,0,0,0|2,0,0]=4 7422 B13R0.1 CCCCCCC(C)OCCC(=O)N 34a_100000757172_100011215978 [1,1,0,0,0,0|2,0,0]=4 7423 B13R0.1 CCCCCCC(C)OCCC(=O)N 7a_100000210265_100000744528 [1,1,0,0,0,0|2,0,0]=4 7424 B13R0.1 CCCCCCC(C)OCCC(=O)N 7a_100000757172_100011215978 [1,1,0,0,0,0|2,0,0]=4 7425 B13R0.1 CCCCCCC(C)SCCC(=O)C 62a_100000053229_100011215978 [1,1,0,0,0,0|2,0,0]=4 7426 B13R0.1 CCCCCCC(C)SCCC(=O)C 62a_100011215978_100000053229 [1,1,0,0,0,0|2,0,0]=4 7427 B13R0.1 CCCCCCC(C)SCCC(=O)N 62a_100000744528_100011215978 [1,1,0,0,0,0|2,0,0]=4 7428 B13R0.1 CCCCCCC(C)SCCC(=O)N 62a_100011215978_100000744528 [1,1,0,0,0,0|2,0,0]=4 7429 B13R0.1 CCCCCCN(C)CCCC(=O)C 269982a_106256046315_100011215641 [1,1,0,0,0,0|2,0,0]=4 7430 B13R0.1 CCCCCCN(C)CCCC(=O)N 269982a_106256046315_100102525003 [1,1,0,0,0,0|2,0,0]=4 7431 B13R0.1 CCCCCCN(C)CCCC(=O)O 269956a_100000719178_100000210757 [1,1,0,0,0,0|2,0,0]=4 7432 B13R0.1 CCCCCOC(C)CCCC(=O)[O-] 7a_100000761597_100000210326 [1,1,0,0,0,0|2,0,0]=4 7433 B13R0.88 CCCC(C)CCCOCCC(=O)C 7a_100011713154_100000053229 [1,1,0,0,0,0|2,0,0]=4 7434 B13R0.88 CCCC(C)CCCOCCC(=O)N 34a_100011713154_100000731001 [1,1,0,0,0,0|2,0,0]=4 7435 B13R0.88 CCCC(C)CCCOCCC(=O)N 7a_100011713154_100000744528 [1,1,0,0,0,0|2,0,0]=4 7436 B13R0.88 CCCC(C)CCOCCCC(=O)C 34a_100011217855_100000685027 [1,1,0,0,0,0|2,0,0]=4 7437 B13R0.88 CCCC(C)CCOCCCC(=O)C 7a_100011217855_100011215641 [1,1,0,0,0,0|2,0,0]=4 7438 B13R0.88 CCCC(C)CCOCCCC(=O)N 34a_100011217855_100102525003 [1,1,0,0,0,0|2,0,0]=4 7439 B13R0.88 CCCC(C)CCOCCCC(=O)N 7a_100011217855_100102525003 [1,1,0,0,0,0|2,0,0]=4 7440 B13R0.88 CCCC(C)CNCCCCC(=O)N 270004a_100000696515_100000243154 [1,1,0,0,0,0|2,0,0]=4 7441 B13R0.88 CCCC(C)CNCCCCC(=O)N 34a_100000696515_100011216630 [1,1,0,0,0,0|2,0,0]=4 7442 B13R0.88 CCCC(C)COCCCCC(=O)C 34a_100000688023_100009817362 [1,1,0,0,0,0|2,0,0]=4 7443 B13R0.88 CCCC(C)COCCCCC(=O)C 7a_100000688023_100000735457 [1,1,0,0,0,0|2,0,0]=4 7444 B13R0.88 CCCC(C)COCCCCC(=O)N 34a_100012022536_100011216630 [1,1,0,0,0,0|2,0,0]=4 7445 B13R0.88 CCCC(C)COCCCCC(=O)N 7a_100012022536_100011216630 [1,1,0,0,0,0|2,0,0]=4 7446 B13R0.88 CCCC(C)CSCCCCC(=O)C 62a_100000735457_100011216630 [1,1,0,0,0,0|2,0,0]=4 7447 B13R0.88 CCCC(C)CSCCCCC(=O)C 62a_100011216630_100000735457 [1,1,0,0,0,0|2,0,0]=4 7448 B13R0.88 CCCC(C)NCCCCCC(=O)N 2230a_100000741246_100009817443 [1,1,0,0,0,0|2,0,0]=4 7449 B13R0.88 CCCC(C)OCCCCCC(=O)N 34a_100000123541_100000766640 [1,1,0,0,0,0|2,0,0]=4 7450 B13R0.88 CCCC(C)OCCCCCC(=O)N 34a_100000764384_100009817443 [1,1,0,0,0,0|2,0,0]=4 7451 B13R0.88 CCCC(C)OCCCCCC(=O)N 7a_100000123541_100000766640 [1,1,0,0,0,0|2,0,0]=4 7452 B13R0.88 CCCC(C)OCCCCCC(=O)N 7a_100000764384_100009817443 [1,1,0,0,0,0|2,0,0]=4 7453 B13R0.88 CCCC(C)OCCCCCC(=O)[O-] 7a_100102619762_100000766640 [1,1,0,0,0,0|2,0,0]=4 7454 B13R0.88 CCCC(C)SCCCCCC(=O)N 62a_100000766640_100009817443 [1,1,0,0,0,0|2,0,0]=4 7455 B13R0.88 CCCC(C)SCCCCCC(=O)N 62a_100009817443_100000766640 [1,1,0,0,0,0|2,0,0]=4 7456 B13R0.88 CCC[C@H](N)CCOCCCC(=O)C 34a_100015193777_100000685027 [1,1,0,0,0,0|2,0,0]=4 7457 B13R0.88 CCC[C@H](N)CCOCCCC(=O)N 34a_100015193777_100102525003 [1,1,0,0,0,0|2,0,0]=4 7458 B13R0.88 CCC[C@H](N)COCCCCC(=O)C 34a_100000732646_100009817362 [1,1,0,0,0,0|2,0,0]=4 7459 B13R0.119 CCCCC(=O)CCCCCC(=O)N 1458a_100000210183_100009817443 [1,1,0,0,0,0|1,0,1]=4 7460 B13R0.119 CCCCC(C)COCCCC(=O)C 34a_100011995851_100000685027 [1,1,0,0,0,0|2,0,0]=4 7461 B13R0.119 CCCCC(C)COCCCC(=O)C 7a_100011995851_100011215641 [1,1,0,0,0,0|2,0,0]=4 7462 B13R0.119 CCCCC(C)COCCCC(=O)N 34a_100011995851_100102525003 [1,1,0,0,0,0|2,0,0]=4 7463 B13R0.119 CCCCC(C)COCCCC(=O)N 7a_100011995851_100102525003 [1,1,0,0,0,0|2,0,0]=4 7464 B13R0.119 CCCCC(C)NCCCCC(=O)N 270004a_100000696515_100000210087 [1,1,0,0,0,0|2,0,0]=4 7465 B13R0.119 CCCCC(C)NCCCCC(=O)N 34a_100000696515_200011215066 [1,1,0,0,0,0|2,0,0]=4 7466 B13R0.119 CCCCC(C)OCCCCC(=O)C 34a_100000687866_100009817362 [1,1,0,0,0,0|2,0,0]=4 7467 B13R0.119 CCCCC(C)OCCCCC(=O)C 7a_100000687866_100000735457 [1,1,0,0,0,0|2,0,0]=4 7468 B13R0.119 CCCCC(C)OCCCCC(=O)N 34a_100012022536_200011215066 [1,1,0,0,0,0|2,0,0]=4 7469 B13R0.119 CCCCC(C)OCCCCC(=O)N 7a_100012022536_200011215066 [1,1,0,0,0,0|2,0,0]=4 7470 B13R0.119 CCCCC(C)SCCCCC(=O)C 62a_100000735457_200011215066 [1,1,0,0,0,0|2,0,0]=4 7471 B13R0.119 CCCCC(C)SCCCCC(=O)C 62a_200011215066_100000735457 [1,1,0,0,0,0|2,0,0]=4 7472 B13R0.119 CCCCN(C)CCCCCC(=O)N 2230a_100000207549_100009817443 [1,1,0,0,0,0|2,0,0]=4 7473 B13R0.119 CCCCN(C)CCCCCC(=O)N 269982a_100000207549_100009817443 [1,1,0,0,0,0|2,0,0]=4 7474 B13R0.119 CCCC[C@H](N)COCCCC(=O)C 34a_100011934283_100000685027 [1,1,0,0,0,0|2,0,0]=4 7475 B13R0.119 CCCC[C@H](N)COCCCC(=O)N 34a_100011934283_100102525003 [1,1,0,0,0,0|2,0,0]=4 7476 B13R0.150 CCCCCCCCCN(C)C(=O)C 11a_100000232482_100015343762 [1,1,0,0,0,0|2,0,0]=4 7477 B13R0.150 CCCCCCCCCN(C)C(=O)C 1626a_100000232482_100015343762 [1,1,0,0,0,0|2,0,0]=4 7478 B13R0.150 CCCCCCCCCN(C)C(=O)C 240690a_100000232482_100015343762 [1,1,0,0,0,0|2,0,0]=4 7479 B13R0.150 CCCCCCCCCN(C)C(=O)C 527a_100000232482_100103153847 [1,1,0,0,0,0|2,0,0]=4 7480 B13R0.150 CCCCCCCCNC(C)C(=O)C 2230a_100000229939_100009814033 [1,1,0,0,0,0|2,0,0]=4 7481 B13R0.150 CCCCCCCCNC(C)C(=O)N 2230a_100000229939_100000702099 [1,1,0,0,0,0|2,0,0]=4 7482 B13R0.150 CCCCCCCCNC(C)C(=O)N 34a_100000229939_100000702099 [1,1,0,0,0,0|2,0,0]=4 7483 B13R0.150 CCCCCCCCNC(F)C(=O)N 2230a_100000229939_100009813875 [1,1,0,0,0,0|2,0,0]=4 7484 B13R0.150 CCCCCCCCNC(F)C(=O)N 34a_100000229939_100009813875 [1,1,0,0,0,0|2,0,0]=4 7485 B13R0.150 CCCCCCCCNC(F)C(=O)[O-] 34a_100000229939_100020610796 [1,1,0,0,0,0|2,0,0]=4 7486 B13R0.150 CCCCCCCCN[C@@H](C)C(=O)O 269956a_100000743915_100000210759 [1,1,0,0,0,0|2,0,0]=4 7487 B13R0.150 CCCCCCCCN[C@H](C)C(=O)N 2230a_100000119354_100000210759 [1,1,0,0,0,0|2,0,0]=4 7488 B13R0.150 CCCCCCCCN[C@H](C)C(=O)N 34a_100000119354_100000210759 [1,1,0,0,0,0|2,0,0]=4 7489 B13R0.150 CCCCCCCCOC(C)C(=O)C 34a_100000212229_100000210759 [1,1,0,0,0,0|2,0,0]=4 7490 B13R0.150 CCCCCCCCOC(C)C(=O)C 7a_100000210232_100000179758 [1,1,0,0,0,0|2,0,0]=4 7491 B13R0.150 CCCCCCCCOC(C)C(=O)N 34a_100000210232_100000702099 [1,1,0,0,0,0|2,0,0]=4 7492 B13R0.150 CCCCCCCCOC(C)C(=O)N 7a_100000210232_100000702099 [1,1,0,0,0,0|2,0,0]=4 7493 B13R0.150 CCCCCCCCOC(F)C(=O)N 34a_100000210232_100009813875 [1,1,0,0,0,0|2,0,0]=4 7494 B13R0.150 CCCCCCCCOC(F)C(=O)N 7a_100000210232_100009813875 [1,1,0,0,0,0|2,0,0]=4 7495 B13R0.150 CCCCCCCCOC(F)C(=O)[O-] 34a_100000210232_100020610796 [1,1,0,0,0,0|2,0,0]=4 7496 B13R0.150 CCCCCCCCO[C@@H](C)C(=O)[O-] 7a_217856618621_100000210759 [1,1,0,0,0,0|2,0,0]=4 7497 B13R0.150 CCCCCCCCO[C@H](C)C(=O)N 34a_100000731257_100000210759 [1,1,0,0,0,0|2,0,0]=4 7498 B13R0.150 CCCCCCCCO[C@H](C)C(=O)N 7a_100000731257_100000210759 [1,1,0,0,0,0|2,0,0]=4 7499 B13R0.150 CCCCCCCCSC(C)C(=O)C 62a_100000210759_100009814033 [1,1,0,0,0,0|2,0,0]=4 7500 B13R0.150 CCCCCCCCSC(C)C(=O)C 62a_100009814033_100000210317 [1,1,0,0,0,0|2,0,0]=4 7501 B13R0.150 CCCCCCCCSC(C)C(=O)N 62a_100000210759_100000702099 [1,1,0,0,0,0|2,0,0]=4 7502 B13R0.150 CCCCCCCCSC(C)C(=O)N 62a_100000702099_100000210317 [1,1,0,0,0,0|2,0,0]=4 7503 B13R0.150 CCCCCCCCSC(F)C(=O)N 62a_100000210759_100009813875 [1,1,0,0,0,0|2,0,0]=4 7504 B13R0.150 CCCCCCCCSC(F)C(=O)N 62a_100009813875_100000210317 [1,1,0,0,0,0|2,0,0]=4 7505 B13R0.150 CCCCCCCCSC(F)C(=O)[O-] 62a_100000210759_100020610796 [1,1,0,0,0,0|2,0,0]=4 7506 B13R0.150 CCCCCCCCSC(F)C(=O)[O-] 62a_100020610796_100000210317 [1,1,0,0,0,0|2,0,0]=4 7507 B13R0.150 CCCCCCCNCC(C)C(=O)O 269956a_100000749485_100000210614 [1,1,0,0,0,0|2,0,0]=4 7508 B13R0.150 CCCCCCCNCC(F)C(=O)O 269956a_100000084737_100000210614 [1,1,0,0,0,0|2,0,0]=4 7509 B13R0.150 CCCCCCCOCC(C)C(=O)C 34a_100000032740_100000210614 [1,1,0,0,0,0|2,0,0]=4 7510 B13R0.150 CCCCCCCOCC(C)C(=O)C 7a_100000032740_100000210614 [1,1,0,0,0,0|2,0,0]=4 7511 B13R0.150 CCCCCCCOC[C@H](N)C(=O)N 34a_100000729942_100000210614 [1,1,0,0,0,0|2,0,0]=4 7512 B13R0.154 CCCCCCCC(=O)CCC(=O)N 1458a_100011215257_100000210614 [1,1,0,0,0,0|1,0,1]=4 7513 B13R0.154 CCCCCCCC(C)NCC(=O)N 2230a_100000711301_200011218727 [1,1,0,0,0,0|2,0,0]=4 7514 B13R0.154 CCCCCCCC(C)NCC(=O)O 269956a_100016091260_200011218727 [1,1,0,0,0,0|2,0,0]=4 7515 B13R0.154 CCCCCCCC(C)OCC(=O)C 34a_100000211253_200011218727 [1,1,0,0,0,0|2,0,0]=4 7516 B13R0.154 CCCCCCCC(C)OCC(=O)N 34a_200011215852_100000187820 [1,1,0,0,0,0|2,0,0]=4 7517 B13R0.154 CCCCCCCC(C)OCC(=O)N 7a_200011215852_100000187820 [1,1,0,0,0,0|2,0,0]=4 7518 B13R0.154 CCCCCCCC(C)OCC(=O)[O-] 34a_200011215852_100020667443 [1,1,0,0,0,0|2,0,0]=4 7519 B13R0.154 CCCCCCCC(C)SCC(=O)N 62a_100000747473_200011218727 [1,1,0,0,0,0|2,0,0]=4 7520 B13R0.154 CCCCCCCC(C)SCC(=O)N 62a_200011218727_100000747473 [1,1,0,0,0,0|2,0,0]=4 7521 B13R0.154 CCCCCCCC(C)SCC(=O)[O-] 62a_100020667443_200011218727 [1,1,0,0,0,0|2,0,0]=4 7522 B13R0.154 CCCCCCCC(C)SCC(=O)[O-] 62a_200011218727_100020667443 [1,1,0,0,0,0|2,0,0]=4 7523 B13R0.154 CCCCCCCN(C)CCC(=O)C 269982a_100000228206_100000053229 [1,1,0,0,0,0|2,0,0]=4 7524 B13R0.154 CCCCCCCN(C)CCC(=O)N 2230a_100000228206_100000744528 [1,1,0,0,0,0|2,0,0]=4 7525 B13R0.154 CCCCCCCN(C)CCC(=O)N 2230a_100000730477_100000210681 [1,1,0,0,0,0|2,0,0]=4 7526 B13R0.154 CCCCCCCN(C)CCC(=O)N 269982a_100000228206_100000744528 [1,1,0,0,0,0|2,0,0]=4 7527 B13R0.179 CC(=O)CCCCNCCCC(C)C 34a_200000737386_100009817362 [1,1,0,0,0,0|2,0,0]=4 7528 B13R0.179 CC(=O)CCCCOCCCC(C)C 34a_100000210774_100009817362 [1,1,0,0,0,0|2,0,0]=4 7529 B13R0.179 CC(=O)CCCCOCCCC(C)C 7a_100000210774_100000735457 [1,1,0,0,0,0|2,0,0]=4 7530 B13R0.179 CC(=O)CCCCSCCCC(C)C 62a_100000735457_100011214892 [1,1,0,0,0,0|2,0,0]=4 7531 B13R0.179 CC(=O)CCCCSCCCC(C)C 62a_100011214892_100000735457 [1,1,0,0,0,0|2,0,0]=4 7532 B13R0.179 CC(=O)CCCCSCCCC(C)O 62a_100000735457_200000718107 [1,1,0,0,0,0|2,0,0]=4 7533 B13R0.179 CC(=O)CCCCSCCCC(C)O 62a_200000718107_100000735457 [1,1,0,0,0,0|2,0,0]=4 7534 B13R0.179 CC(=O)CCCOCCCCC(C)C 34a_100000759063_100011216152 [1,1,0,0,0,0|2,0,0]=4 7535 B13R0.179 CC(=O)CCCOCCCCC(C)C 34a_100011214890_100000685027 [1,1,0,0,0,0|2,0,0]=4 7536 B13R0.179 CC(=O)CCCOCCCCC(C)C 7a_100000759063_100011216152 [1,1,0,0,0,0|2,0,0]=4 7537 B13R0.179 CC(=O)CCCOCCCCC(C)C 7a_100011214890_100011215641 [1,1,0,0,0,0|2,0,0]=4 7538 B13R0.179 CC(=O)CCCSCCCCC(C)C 62a_100011215641_100011216152 [1,1,0,0,0,0|2,0,0]=4 7539 B13R0.179 CC(=O)CCCSCCCCC(C)C 62a_100011216152_100011215641 [1,1,0,0,0,0|2,0,0]=4 7540 B13R0.179 CC(=O)CCOCCCCCC(C)C 34a_100000759926_100000210682 [1,1,0,0,0,0|2,0,0]=4 7541 B13R0.179 CC(=O)CCOCCCCCC(C)C 7a_100000759926_100000210682 [1,1,0,0,0,0|2,0,0]=4 7542 B13R0.179 CC(=O)CCOCCCCCC(C)C 7a_100011995859_100000053229 [1,1,0,0,0,0|2,0,0]=4 7543 B13R0.179 CC(=O)CCSCCCCCC(C)C 62a_100000053229_100000210682 [1,1,0,0,0,0|2,0,0]=4 7544 B13R0.179 CC(=O)CCSCCCCCC(C)C 62a_100000210682_100000053229 [1,1,0,0,0,0|2,0,0]=4 7545 B13R0.179 CC(Br)CCOCCCCCC(=O)N 34a_100009893172_100009817443 [1,1,0,0,0,0|2,0,0]=4 7546 B13R0.179 CC(C)CCCCCCNCC(=O)N 2230a_100000211014_100000747473 [1,1,0,0,0,0|2,0,0]=4 7547 B13R0.179 CC(C)CCCCCCNCC(=O)N 34a_100000211014_100000187820 [1,1,0,0,0,0|2,0,0]=4 7548 B13R0.179 CC(C)CCCCCCNCC(=O)[O-] 34a_100000211014_100020667443 [1,1,0,0,0,0|2,0,0]=4 7549 B13R0.179 CC(C)CCCCCNCCC(=O)N 2230a_100011290863_100000744528 [1,1,0,0,0,0|2,0,0]=4 7550 B13R0.179 CC(C)CCCCCNCCC(=O)N 34a_100011290863_100000731001 [1,1,0,0,0,0|2,0,0]=4 7551 B13R0.179 CC(C)CCCCCOCCC(=O)N 34a_100000757172_100000210682 [1,1,0,0,0,0|2,0,0]=4 7552 B13R0.179 CC(C)CCCCCOCCC(=O)N 34a_100011995859_100000731001 [1,1,0,0,0,0|2,0,0]=4 7553 B13R0.179 CC(C)CCCCCOCCC(=O)N 7a_100000757172_100000210682 [1,1,0,0,0,0|2,0,0]=4 7554 B13R0.179 CC(C)CCCCCOCCC(=O)N 7a_100011995859_100000744528 [1,1,0,0,0,0|2,0,0]=4 7555 B13R0.179 CC(C)CCCCCSCCC(=O)N 62a_100000210682_100000744528 [1,1,0,0,0,0|2,0,0]=4 7556 B13R0.179 CC(C)CCCCCSCCC(=O)N 62a_100000744528_100000210682 [1,1,0,0,0,0|2,0,0]=4 7557 B13R0.179 CC(C)CCCCNCCCC(=O)N 34a_100000739312_100011216152 [1,1,0,0,0,0|2,0,0]=4 7558 B13R0.179 CC(C)CCCCOCCCC(=O)N 34a_100011214890_100102525003 [1,1,0,0,0,0|2,0,0]=4 7559 B13R0.179 CC(C)CCCCOCCCC(=O)N 7a_100011214890_100102525003 [1,1,0,0,0,0|2,0,0]=4 7560 B13R0.179 CC(C)CCCCSCCCC(=O)N 62a_100011216152_100102525003 [1,1,0,0,0,0|2,0,0]=4 7561 B13R0.179 CC(C)CCCCSCCCC(=O)N 62a_100102525003_100011216152 [1,1,0,0,0,0|2,0,0]=4 7562 B13R0.179 CC(C)CCCNCCCCC(=O)N 34a_100000696515_100011214892 [1,1,0,0,0,0|2,0,0]=4 7563 B13R0.179 CC(C)CCCOCCCCC(=O)N 34a_100012022536_100011214892 [1,1,0,0,0,0|2,0,0]=4 7564 B13R0.179 CC(C)CCCOCCCCC(=O)N 7a_100012022536_100011214892 [1,1,0,0,0,0|2,0,0]=4 7565 B13R0.179 CC(C)CCOCCCCCC(=O)N 34a_100000123541_100000210312 [1,1,0,0,0,0|2,0,0]=4 7566 B13R0.179 CC(C)CCOCCCCCC(=O)N 34a_100000210254_100009817443 [1,1,0,0,0,0|2,0,0]=4 7567 B13R0.179 CC(C)CCOCCCCCC(=O)N 7a_100000123541_100000210626 [1,1,0,0,0,0|2,0,0]=4 7568 B13R0.179 CC(C)CCOCCCCCC(=O)N 7a_100000210254_100009817443 [1,1,0,0,0,0|2,0,0]=4 7569 B13R0.179 CC(C)CCOCCCCCC(=O)[O-] 7a_100102619762_100000210626 [1,1,0,0,0,0|2,0,0]=4 7570 B13R0.179 CC(C)CCSCCCCCC(=O)N 62a_100000210312_100009817443 [1,1,0,0,0,0|2,0,0]=4 7571 B13R0.179 CC(C)CCSCCCCCC(=O)N 62a_100009817443_100000210312 [1,1,0,0,0,0|2,0,0]=4 7572 B13R0.179 CC(O)CCCNCCCCC(=O)N 34a_100000696515_200000718107 [1,1,0,0,0,0|2,0,0]=4 7573 B13R0.179 CC(O)CCCOCCCCC(=O)N 34a_100012022536_200000718107 [1,1,0,0,0,0|2,0,0]=4 7574 B13R0.179 CC(O)CCCOCCCCC(=O)N 7a_100012022536_200000718107 [1,1,0,0,0,0|2,0,0]=4 7575 B13R0.179 CC(O)CCNCCCCCC(=O)N 2230a_200000755665_100009817443 [1,1,0,0,0,0|2,0,0]=4 7576 B13R0.179 CC(O)CCOCCCCCC(=O)N 34a_100000123541_100012276601 [1,1,0,0,0,0|2,0,0]=4 7577 B13R0.179 CC(O)CCOCCCCCC(=O)N 7a_100000123541_100012276601 [1,1,0,0,0,0|2,0,0]=4 7578 B13R0.179 CC(O)CCOCCCCCC(=O)[O-] 7a_100102619762_100012276601 [1,1,0,0,0,0|2,0,0]=4 7579 B13R0.179 CC(O)CCSCCCCCC(=O)N 62a_100009817443_100012276601 [1,1,0,0,0,0|2,0,0]=4 7580 B13R0.179 CC(O)CCSCCCCCC(=O)N 62a_100012276601_100009817443 [1,1,0,0,0,0|2,0,0]=4 7581 B13R0.179 C[C@@H](N)CCOCCCCCC(=O)N 34a_100000706166_100009817443 [1,1,0,0,0,0|2,0,0]=4 7582 B13R0.188 CCCCCC(=O)CCCCC(=O)C 1458a_100000212188_100000735457 [1,1,0,0,0,0|1,0,1]=4 7583 B13R0.188 CCCCCC(C)NCCCC(=O)N 34a_100000739312_200011218191 [1,1,0,0,0,0|2,0,0]=4 7584 B13R0.188 CCCCCC(C)OCCCC(=O)C 34a_100000759063_200011218191 [1,1,0,0,0,0|2,0,0]=4 7585 B13R0.188 CCCCCC(C)OCCCC(=O)C 34a_100011215632_100000685027 [1,1,0,0,0,0|2,0,0]=4 7586 B13R0.188 CCCCCC(C)OCCCC(=O)C 7a_100000759063_200011218191 [1,1,0,0,0,0|2,0,0]=4 7587 B13R0.188 CCCCCC(C)OCCCC(=O)C 7a_100011215632_100011215641 [1,1,0,0,0,0|2,0,0]=4 7588 B13R0.188 CCCCCC(C)OCCCC(=O)N 34a_100011215632_100102525003 [1,1,0,0,0,0|2,0,0]=4 7589 B13R0.188 CCCCCC(C)OCCCC(=O)N 7a_100011215632_100102525003 [1,1,0,0,0,0|2,0,0]=4 7590 B13R0.188 CCCCCC(C)SCCCC(=O)C 62a_100011215641_200011218191 [1,1,0,0,0,0|2,0,0]=4 7591 B13R0.188 CCCCCC(C)SCCCC(=O)C 62a_200011218191_100011215641 [1,1,0,0,0,0|2,0,0]=4 7592 B13R0.188 CCCCCC(C)SCCCC(=O)N 62a_100102525003_200011218191 [1,1,0,0,0,0|2,0,0]=4 7593 B13R0.188 CCCCCC(C)SCCCC(=O)N 62a_200011218191_100102525003 [1,1,0,0,0,0|2,0,0]=4 7594 B13R0.188 CCCCCN(C)CCCCC(=O)C 269982a_100000223495_100000735457 [1,1,0,0,0,0|2,0,0]=4 7595 B13R0.202 CCC(C)CCCCCOCC(=O)N 7a_200000035636_100000187820 [1,1,0,0,0,0|2,0,0]=4 7596 B13R0.202 CCC(C)CCCOCCCC(=O)C 7a_100011216074_100011215641 [1,1,0,0,0,0|2,0,0]=4 7597 B13R0.202 CCC(C)CCCOCCCC(=O)N 7a_100011216074_100102525003 [1,1,0,0,0,0|2,0,0]=4 7598 B13R0.202 CCC(C)CCOCCCCC(=O)C 7a_100011215188_100000735457 [1,1,0,0,0,0|2,0,0]=4 7599 B13R0.202 CCC(C)CNCCCCCC(=O)N 2230a_100020588543_100009817443 [1,1,0,0,0,0|2,0,0]=4 7600 B13R0.202 CCC(C)COCCCCCC(=O)N 34a_100000123541_100000748023 [1,1,0,0,0,0|2,0,0]=4 7601 B13R0.202 CCC(C)COCCCCCC(=O)N 7a_100000123541_100000748023 [1,1,0,0,0,0|2,0,0]=4 7602 B13R0.202 CCC(C)COCCCCCC(=O)[O-] 7a_100102619762_100000748023 [1,1,0,0,0,0|2,0,0]=4 7603 B13R0.202 CCC(C)CSCCCCCC(=O)N 62a_100000748023_100009817443 [1,1,0,0,0,0|2,0,0]=4 7604 B13R0.202 CCC(C)CSCCCCCC(=O)N 62a_100009817443_100000748023 [1,1,0,0,0,0|2,0,0]=4 7605 B13R0.202 CCC(O)CNCCCCCC(=O)N 2230a_100011218483_100009817443 [1,1,0,0,0,0|2,0,0]=4 7606 B13R0.202 CCC(O)COCCCCCC(=O)N 34a_100000123541_100011218378 [1,1,0,0,0,0|2,0,0]=4 7607 B13R0.202 CCC(O)COCCCCCC(=O)N 7a_100000123541_100011218378 [1,1,0,0,0,0|2,0,0]=4 7608 B13R0.202 CCC(O)COCCCCCC(=O)[O-] 7a_100102619762_100011218378 [1,1,0,0,0,0|2,0,0]=4 7609 B13R0.202 CCC(O)CSCCCCCC(=O)N 62a_100009817443_100011218378 [1,1,0,0,0,0|2,0,0]=4 7610 B13R0.202 CCC(O)CSCCCCCC(=O)N 62a_100011218378_100009817443 [1,1,0,0,0,0|2,0,0]=4 7611 B13R0.202 CC[C@H](C)COCCCCCC(=O)N 34a_100000123541_100009816398 [1,1,0,0,0,0|2,0,0]=4 7612 B13R0.202 CC[C@H](C)COCCCCCC(=O)N 7a_100000123541_100009816398 [1,1,0,0,0,0|2,0,0]=4 7613 B13R0.202 CC[C@H](C)COCCCCCC(=O)N 7a_100009816381_100009817443 [1,1,0,0,0,0|2,0,0]=4 7614 B13R0.202 CC[C@H](C)COCCCCCC(=O)[O-] 7a_100102619762_100009816398 [1,1,0,0,0,0|2,0,0]=4 7615 B13R0.202 CC[C@H](C)CSCCCCCC(=O)N 62a_100009816398_100009817443 [1,1,0,0,0,0|2,0,0]=4 7616 B13R0.202 CC[C@H](C)CSCCCCCC(=O)N 62a_100009817443_100009816398 [1,1,0,0,0,0|2,0,0]=4 7617 B13R0.335 CCCCCCCCC(=O)CC(=O)N 1458a_100000210188_100000187820 [1,1,0,0,0,0|1,0,1]=4 7618 B13R0.335 CCCCCCCCC(=O)CC(=O)N 1458a_100134613110_100000210759 [1,1,0,0,0,0|1,0,1]=4 7619 B13R0.335 CCCCCCCCC(=O)CC(=O)[O-] 1458a_100000210188_100020667443 [1,1,0,0,0,0|1,0,1]=4 7620 B13R0.335 CCCCCCCCN(C)CC(=O)N 2230a_100000207567_100000747473 [1,1,0,0,0,0|2,0,0]=4 7621 B13R0.335 CCCCCCCCN(C)CC(=O)N 2230a_100000739694_100000210759 [1,1,0,0,0,0|2,0,0]=4 7622 B13R0.335 CCCCCCCCN(C)CC(=O)N 269982a_100000207567_100000187820 [1,1,0,0,0,0|2,0,0]=4 7623 B13R0.335 CCCCCCCCN(C)CC(=O)O 269956a_100000746989_100000210759 [1,1,0,0,0,0|2,0,0]=4 7624 B13R0.335 CCCCCCCCN(C)CC(=O)[O-] 269982a_100000207567_100020667443 [1,1,0,0,0,0|2,0,0]=4 7625 B13R0.335 CCCCCCNCC(O)CC(=O)O 269956a_100011218706_100000210757 [1,1,0,0,0,0|2,0,0]=4 7626 B15R0.67 CCCCCCCC(O)CC(=O)CC(=O)N 1458a_200011667753_100000187820 [0,2,0,0,0,0|1,0,1]=4 7627 B15R0.67 CCCCCCCC(O)CC(=O)CC(=O)[O-] 1458a_200011667753_100020667443 [0,2,0,0,0,0|1,0,1]=4 7628 B15R0.87 C=CC(CCCCCCC)OCCC(=O)C 7a_200011934235_100000053229 [0,2,0,0,0,0|2,0,0]=4 7629 B15R0.87 C=CC(CCCCCCC)OCCC(=O)N 34a_200011934235_100000731001 [0,2,0,0,0,0|2,0,0]=4 7630 B15R0.87 C=CC(CCCCCCC)OCCC(=O)N 7a_200011934235_100000744528 [0,2,0,0,0,0|2,0,0]=4 7631 B15R0.87 CCCCCCCC(CC)OCCC(=O)C 7a_200011217053_100000053229 [0,2,0,0,0,0|2,0,0]=4 7632 B15R0.87 CCCCCCCC(CC)OCCC(=O)N 34a_200011217053_100000731001 [0,2,0,0,0,0|2,0,0]=4 7633 B15R0.87 CCCCCCCC(CC)OCCC(=O)N 7a_200011217053_100000744528 [0,2,0,0,0,0|2,0,0]=4 7634 B15R0.87 CCCCCCCN(CC)CCCC(=O)C 269982a_100000228213_100011215641 [0,2,0,0,0,0|2,0,0]=4 7635 B15R0.87 CCCCCCCN(CC)CCCC(=O)N 269982a_100000228213_100102525003 [0,2,0,0,0,0|2,0,0]=4 7636 B15R0.132 CCCCCCCC(C)C(=O)CCC(=O)N 1458a_100011215257_200011218727 [0,2,0,0,0,0|1,0,1]=4 7637 B15R0.132 CCCCCCCC(C)N(C)CCC(=O)N 2230a_100000730477_200011218727 [0,2,0,0,0,0|2,0,0]=4 7638 B15R0.132 CCCCCCCC(C)N(C)CCC(=O)N 270004a_100000730477_100000210596 [0,2,0,0,0,0|2,0,0]=4 7639 B15R0.137 CCCCCCCC(=O)CCCC(=O)NC 1458a_100000211969_100000741757 [0,2,0,0,0,0|1,0,1]=4 7640 B15R0.137 CCCCCCCC(=O)CCCC(=O)OC 1458a_100000211969_100011218270 [0,2,0,0,0,0|1,0,1]=4 7641 B15R0.137 CCCCCCCC(=O)CCCC(=O)OC 1458a_100000239890_100000210614 [0,2,0,0,0,0|1,0,1]=4 7642 B15R0.137 CCCCCCCC(C)NCCC(=O)NC 2230a_100000738227_200011218727 [0,2,0,0,0,0|2,0,0]=4 7643 B15R0.137 CCCCCCCC(C)NCCC(=O)NC 270004a_100000738227_100000210596 [0,2,0,0,0,0|2,0,0]=4 7644 B15R0.137 CCCCCCCC(C)NCCC(=O)NC 34a_100000738227_200011218727 [0,2,0,0,0,0|2,0,0]=4 7645 B15R0.137 CCCCCCCC(C)OCCC(=O)NC 34a_100000754576_200011218727 [0,2,0,0,0,0|2,0,0]=4 7646 B15R0.137 CCCCCCCC(C)OCCC(=O)NC 34a_200011215852_100012179268 [0,2,0,0,0,0|2,0,0]=4 7647 B15R0.137 CCCCCCCC(C)OCCC(=O)NC 7a_200011215852_100000737683 [0,2,0,0,0,0|2,0,0]=4 7648 B15R0.137 CCCCCCCC(C)OCCC(=O)OC 34a_200011215852_100000742370 [0,2,0,0,0,0|2,0,0]=4 7649 B15R0.137 CCCCCCCC(C)OCCC(=O)OC 7a_200011215852_100000204255 [0,2,0,0,0,0|2,0,0]=4 7650 B15R0.137 CCCCCCCC(C)SCCC(=O)NC 62a_100000737683_200011218727 [0,2,0,0,0,0|2,0,0]=4 7651 B15R0.137 CCCCCCCC(C)SCCC(=O)NC 62a_200011218727_100000737683 [0,2,0,0,0,0|2,0,0]=4 7652 B15R0.137 CCCCCCCC(C)SCCC(=O)OC 62a_100000204255_200011218727 [0,2,0,0,0,0|2,0,0]=4 7653 B15R0.137 CCCCCCCC(C)SCCC(=O)OC 62a_200011218727_100000204255 [0,2,0,0,0,0|2,0,0]=4 7654 B15R0.137 CCCCCCCN(C)CCCC(=O)NC 2230a_100000228206_100000741757 [0,2,0,0,0,0|2,0,0]=4 7655 B15R0.137 CCCCCCCN(C)CCCC(=O)NC 269982a_100000228206_100000741757 [0,2,0,0,0,0|2,0,0]=4 7656 B15R0.137 CCCCCCCN(C)CCCC(=O)OC 2230a_100000228206_100011218270 [0,2,0,0,0,0|2,0,0]=4 7657 B15R0.137 CCCCCCCN(C)CCCC(=O)OC 269982a_100000228206_100011218270 [0,2,0,0,0,0|2,0,0]=4 7658 B15R0.137 CCCCCCCN(C)CCCC(=O)OC 269982a_100000739225_100000210681 [0,2,0,0,0,0|2,0,0]=4 7659 B15R0.221 CC(=O)CCCC(=O)CCCCCC(C)C 1458a_100000766313_100011215641 [0,2,0,0,0,0|1,0,1]=4 7660 B15R0.221 CC(=O)CCCCOC(C)CCCC(C)C 34a_200011218570_100009817362 [0,2,0,0,0,0|2,0,0]=4 7661 B15R0.221 CC(=O)CCCCOC(C)CCCC(C)C 7a_200011218570_100000735457 [0,2,0,0,0,0|2,0,0]=4 7662 B15R0.221 CC(=O)CCOCCC(C)CCCC(C)C 34a_100000759926_100009816328 [0,2,0,0,0,0|2,0,0]=4 7663 B15R0.221 CC(=O)CCOCCC(C)CCCC(C)C 7a_100000015991_100000053229 [0,2,0,0,0,0|2,0,0]=4 7664 B15R0.221 CC(=O)CCOCCC(C)CCCC(C)C 7a_100000759926_100009816328 [0,2,0,0,0,0|2,0,0]=4 7665 B15R0.221 CC(=O)CCSCCC(C)CCCC(C)C 62a_100000053229_100009816328 [0,2,0,0,0,0|2,0,0]=4 7666 B15R0.221 CC(=O)CCSCCC(C)CCCC(C)C 62a_100009816328_100000053229 [0,2,0,0,0,0|2,0,0]=4 7667 B15R0.221 CC(C)CCCC(=O)CCCCCC(=O)N 1458a_100011216857_100009817443 [0,2,0,0,0,0|1,0,1]=4 7668 B15R0.221 CC(C)CCCC(C)CCNCCC(=O)N 2230a_102516457229_100000744528 [0,2,0,0,0,0|2,0,0]=4 7669 B15R0.221 CC(C)CCCC(C)CCOCCC(=O)N 34a_100000015991_100000731001 [0,2,0,0,0,0|2,0,0]=4 7670 B15R0.221 CC(C)CCCC(C)CCOCCC(=O)N 34a_100000757172_100009816328 [0,2,0,0,0,0|2,0,0]=4 7671 B15R0.221 CC(C)CCCC(C)CCOCCC(=O)N 7a_100000015991_100000744528 [0,2,0,0,0,0|2,0,0]=4 7672 B15R0.221 CC(C)CCCC(C)CCOCCC(=O)N 7a_100000757172_100009816328 [0,2,0,0,0,0|2,0,0]=4 7673 B15R0.221 CC(C)CCCC(C)CCSCCC(=O)N 62a_100000744528_100009816328 [0,2,0,0,0,0|2,0,0]=4 7674 B15R0.221 CC(C)CCCC(C)CCSCCC(=O)N 62a_100009816328_100000744528 [0,2,0,0,0,0|2,0,0]=4 7675 B15R0.221 CC(C)CCCC(C)NCCCCC(=O)N 270004a_100000696515_100000753411 [0,2,0,0,0,0|2,0,0]=4 7676 B15R0.221 CC(C)CCCCCC(=O)CCCC(=O)N 1458a_100000766313_100102525003 [0,2,0,0,0,0|1,0,1]=4 7677 B15R0.221 CC(C)CCCCCN(C)CCCC(=O)O 269956a_100000719178_100000210682 [0,2,0,0,0,0|2,0,0]=4 7678 B15R0.221 CC(C)CCCCOC(C)CCCC(=O)[O-] 7a_100000761597_100011216152 [0,2,0,0,0,0|2,0,0]=4 7679 B15R0.323 CCCCCCCC(C)NCC(C)C(=O)O 269956a_100000749485_200011218727 [0,2,0,0,0,0|2,0,0]=4 7680 B15R0.323 CCCCCCCC(C)NCC(F)C(=O)O 269956a_100000084737_200011218727 [0,2,0,0,0,0|2,0,0]=4 7681 B15R0.323 CCCCCCCC(C)OCC(C)C(=O)C 34a_100000032740_200011218727 [0,2,0,0,0,0|2,0,0]=4 7682 B15R0.323 CCCCCCCC(C)OCC(C)C(=O)C 7a_100000032740_200011218727 [0,2,0,0,0,0|2,0,0]=4 7683 B15R0.323 CCCCCCCC(C)OC[C@H](N)C(=O)N 34a_100000729942_200011218727 [0,2,0,0,0,0|2,0,0]=4 7684 B15R0.329 CCCCCCC(C)N(C)CCCC(=O)O 269956a_100000719178_100011215978 [0,2,0,0,0,0|2,0,0]=4 7685 B15R0.329 CCCCCCC(O)C(=O)CCCC(=O)C 1458a_100011215828_100011215641 [0,2,0,0,0,0|1,0,1]=4 7686 B15R0.329 CCCCCCC(O)C(=O)CCCC(=O)N 1458a_100011215828_100102525003 [0,2,0,0,0,0|1,0,1]=4 7687 B15R0.367 C=C(C)COCC(C)CCCCCCCC 34a_200012125181_100000748629 [0,2,0,0,0,0|2,0,0]=4 7688 B15R0.367 C=C(C)COCC(C)CCCCCCCC 7a_200012125181_100000748629 [0,2,0,0,0,0|2,0,0]=4 7689 B15R0.367 C=C(F)COCC(C)CCCCCCCC 34a_200012125181_100009893438 [0,2,0,0,0,0|1,1,0]=4 7690 B15R0.367 C=C(F)COCC(C)CCCCCCCC 7a_200012125181_100000042424 [0,2,0,0,0,0|1,1,0]=4 7691 B15R0.367 CC(=O)CCCC(=O)CCCCCCCO 1458a_100011219782_100011215641 [0,2,0,0,0,0|1,0,1]=4 7692 B15R0.367 CC(CCCC(=O)[O-])OCCCCCCF 7a_100000761597_100015922095 [0,2,0,0,0,0|2,0,0]=4 7693 B15R0.367 CC(CCCC(=O)[O-])OCCCCCCO 7a_100000761597_100000766143 [0,2,0,0,0,0|2,0,0]=4 7694 B15R0.367 CCCCCCCCC(=O)CCCC(=O)C 1458a_100000210188_100011215641 [0,2,0,0,0,0|1,0,0]=3 7695 B15R0.367 CCCCCCCCC(=O)CCCC(=O)N 1458a_100000210188_100102525003 [0,2,0,0,0,0|1,0,0]=3 7696 B15R0.367 CCCCCCCCC(=O)CCC[N+](=O)[O-] 1458a_100016109205_100000210759 [0,2,0,0,0,0|2,0,0]=4 7697 B15R0.367 CCCCCCCCC(=O)CCNC(=O)C 1458a_100000183196_100000210759 [0,2,0,0,0,0|1,0,1]=4 7698 B15R0.367 CCCCCCCCC(=O)CCNC(=O)C 1458a_100000210188_100000189650 [0,2,0,0,0,0|1,0,1]=4 7699 B15R0.367 CCCCCCCCC(=O)CCNC(=O)N 1458a_100000181464_100000210759 [0,2,0,0,0,0|1,0,1]=4 7700 B15R0.367 CCCCCCCCC(=O)CCNC(=O)N 1458a_100000210188_200000034859 [0,2,0,0,0,0|1,0,1]=4 7701 B15R0.367 CCCCCCCCC(=O)CCOC(=O)C 1458a_100000210188_100009814007 [0,2,0,0,0,0|1,0,1]=4 7702 B15R0.367 CCCCCCCCC(=O)CCOC(=O)N 1458a_100000210188_200011214921 [0,2,0,0,0,0|1,0,1]=4 7703 B15R0.367 CCCCCCCCC(=O)CCSC(=O)C 1458a_100000048949_100000210759 [0,2,0,0,0,0|1,0,1]=4 7704 B15R0.367 CCCCCCCCC(=O)COCC(=O)N 1458a_100011219004_100000210759 [0,2,0,0,0,0|1,0,1]=4 7705 B15R0.367 CCCCCCCCC(=O)NCCC(=O)N 11a_100000740010_100000210188 [0,2,0,0,0,0|1,0,1]=4 7706 B15R0.367 CCCCCCCCC(=O)NCCC(=O)N 240690a_100000740010_100000210188 [0,2,0,0,0,0|1,0,1]=4 7707 B15R0.367 CCCCCCCCC(=O)NCCC(=O)N 527a_100000740010_100000210188 [0,2,0,0,0,0|1,0,1]=4 7708 B15R0.367 CCCCCCCCC(C)COCC(=O)N 34a_200012125181_100000187820 [0,2,0,0,0,0|1,0,0]=3 7709 B15R0.367 CCCCCCCCC(C)COCC(=O)N 7a_200012125181_100000187820 [0,2,0,0,0,0|1,0,0]=3 7710 B15R0.367 CCCCCCCCC(C)COCC(=O)[O-] 34a_200012125181_100020667443 [0,2,0,0,0,0|1,0,0]=3 7711 B15R0.367 CCCCCCCCC(C)COC[N+](=O)[O-] 34a_200012125181_100000761209 [0,2,0,0,0,0|2,0,0]=4 7712 B15R0.367 CCCCCCCCC(C)OCCC(=O)C 7a_100000210740_100000053229 [0,2,0,0,0,0|1,0,0]=3 7713 B15R0.367 CCCCCCCCC(C)OCCC(=O)N 34a_100000210740_100000731001 [0,2,0,0,0,0|1,0,0]=3 7714 B15R0.367 CCCCCCCCC(C)OCCC(=O)N 7a_100000210740_100000744528 [0,2,0,0,0,0|1,0,0]=3 7715 B15R0.367 CCCCCCCCC(C)OCOC(=O)C 34a_100000210740_100009813279 [0,2,0,0,0,0|2,0,0]=4 7716 B15R0.367 CCCCCCCCN(C)CCCC(=O)C 269982a_100000207567_100011215641 [0,2,0,0,0,0|1,0,0]=3 7717 B15R0.367 CCCCCCCCN(C)CCCC(=O)N 269982a_100000207567_100102525003 [0,2,0,0,0,0|1,0,0]=3 7718 B15R0.367 CCCCCCCCN(C)CCCC(=O)O 269956a_100000719178_100000210759 [0,2,0,0,0,0|1,0,0]=3 7719 B15R0.367 CCCCCCCCN(C)CCNC(=O)C 2230a_100000207567_100000189650 [0,2,0,0,0,0|2,0,0]=4 7720 B15R0.367 CCCCCCCCN(C)CCNC(=O)C 269982a_100000207567_100000189650 [0,2,0,0,0,0|2,0,0]=4 7721 B15R0.367 CCCCCCCCN(C)CCNC(=O)N 2230a_100000207567_200000034859 [0,2,0,0,0,0|2,0,0]=4 7722 B15R0.367 CCCCCCCCN(C)CCNC(=O)N 269982a_100000207567_200000034859 [0,2,0,0,0,0|2,0,0]=4 7723 B15R0.367 CCCCCCCCN(C)CCOC(=O)C 269982a_100000207567_100009814007 [0,2,0,0,0,0|2,0,0]=4 7724 B15R0.367 CCCCCCCCN(C)CCOC(=O)N 269982a_100000207567_200011214921 [0,2,0,0,0,0|2,0,0]=4 7725 B15R0.367 CCCCCCCOC(C)CCCC(=O)[O-] 7a_100000761597_100000210614 [0,2,0,0,0,0|1,0,0]=3 7726 B15R0.367 CCCCOCCOC(C)CCCC(=O)[O-] 7a_100000761597_100000743108 [0,2,0,0,0,0|2,0,0]=4 7727 B15R0.367 CN(CCCCCCCO)CCCC(=O)O 269956a_100000719178_100000760002 [0,2,0,0,0,0|2,0,0]=4 7728 B15R0.367 COCCCCCCN(C)CCCC(=O)O 269956a_100000719178_100011998445 [0,2,0,0,0,0|2,0,0]=4 7729 B15R0.367 NC(=O)CCCC(=O)CCCCCCCO 1458a_100011219782_100102525003 [0,2,0,0,0,0|1,0,1]=4 7730 B15R0.371 CCCCCC(C)OC(C)CCCC(=O)[O-] 7a_100000761597_200011218191 [0,2,0,0,0,0|2,0,0]=4 7731 B15R0.3451 CCCCC(C)CCC(=O)CCCC(=O)C 1458a_100000033779_100011215641 [0,2,0,0,0,0|1,0,1]=4 7732 B15R0.3451 CCCCC(C)CCC(=O)CCCC(=O)N 1458a_100000033779_100102525003 [0,2,0,0,0,0|1,0,1]=4 7733 B15R0.4281 CCCCCCCC(C)(C)OCCC(=O)C 34a_100000759926_200000046972 [0,2,0,0,0,0|2,0,0]=4 7734 B15R0.4281 CCCCCCCC(C)(C)OCCC(=O)C 7a_100000759926_200000046972 [0,2,0,0,0,0|2,0,0]=4 7735 B15R0.4281 CCCCCCCC(C)(C)OCCC(=O)N 34a_100000757172_200000046972 [0,2,0,0,0,0|2,0,0]=4 7736 B15R0.4281 CCCCCCCC(C)(C)OCCC(=O)N 7a_100000757172_200000046972 [0,2,0,0,0,0|2,0,0]=4 7737 B15R0.4281 CCCCCCCC(C)(C)SCCC(=O)C 62a_100000053229_200000046972 [0,2,0,0,0,0|2,0,0]=4 7738 B15R0.4281 CCCCCCCC(C)(C)SCCC(=O)C 62a_200000046972_100000053229 [0,2,0,0,0,0|2,0,0]=4 7739 B15R0.4281 CCCCCCCC(C)(C)SCCC(=O)N 62a_100000744528_200000046972 [0,2,0,0,0,0|2,0,0]=4 7740 B15R0.4281 CCCCCCCC(C)(C)SCCC(=O)N 62a_200000046972_100000744528 [0,2,0,0,0,0|2,0,0]=4 7741 B15R0.226 CC(=O)CCCCOCC[C@@H](N)CC(C)C 34a_100161151251_100009817362 [0,2,0,0,0,0|2,0,0]=4 7742 B15R0.226 CC(C)CCCCCNCC(O)CC(=O)O 269956a_100011218706_100000210682 [0,2,0,0,0,0|2,0,0]=4 7743 B15R0.226 CC(C)C[C@H](N)COCCCCCC(=O)N 34a_100011830311_100009817443 [0,2,0,0,0,0|2,0,0]=4 7744 B15R0.247 CC(C)CCCCCOCCCC(=O)NN 34a_100000211488_100000210682 [0,2,0,0,0,0|2,0,0]=4 7745 B15R0.247 CCC(=O)COCCCCCCCC(C)C 7a_200000210741_100000747405 [0,2,0,0,0,0|2,0,0]=4 7746 B15R0.247 CCC(C)CCCCCOCCCC(=O)C 7a_200000035636_100011215641 [0,2,0,0,0,0|1,0,0]=3 7747 B15R0.247 CCC(C)CCCCCOCCCC(=O)N 7a_200000035636_100102525003 [0,2,0,0,0,0|1,0,0]=3 7748 B15R0.247 CCC(C)CCCCCOCCNC(=O)C 7a_200000035636_100000189650 [0,2,0,0,0,0|2,0,0]=4 7749 B15R0.247 CCC(C)CCCCCOCCNC(=O)N 7a_200000035636_200000034859 [0,2,0,0,0,0|2,0,0]=4 7750 B15R0.247 CCC(C)CCCCCOCCOC(=O)C 7a_200000035636_100009814007 [0,2,0,0,0,0|2,0,0]=4 7751 B15R0.247 CCC(C)CCCCCOCCOC(=O)N 7a_200000035636_200011214921 [0,2,0,0,0,0|2,0,0]=4 7752 B15R0.247 CCC(C)CCCOCCCCCC(=O)N 7a_100011216074_100009817443 [0,2,0,0,0,0|1,0,0]=3 7753 B15R0.247 CCC(C)CCCOCCCCOC(=O)C 7a_100011216074_100000033659 [0,2,0,0,0,0|2,0,0]=4 7754 B15R0.247 CCC(C)CCCOCCCCSC(=O)C 7a_100011216074_200010402107 [0,2,0,0,0,0|2,0,0]=4 7755 B15R0.247 CCC(C)CCNCCCCCOC(=O)C 2230a_100020591266_100009813381 [0,2,0,0,0,0|2,0,0]=4 7756 B15R0.247 CCC(C)CCOCCCCCOC(=O)C 7a_100011215188_100000033007 [0,2,0,0,0,0|2,0,0]=4 7757 B15R0.247 CCC(C)CNCCCCCCNC(=O)C 2230a_200011996284_100000748023 [0,2,0,0,0,0|2,0,0]=4 7758 B15R0.247 CCC(C)CNCCCCCCNC(=O)C 270004a_200011996284_100000243153 [0,2,0,0,0,0|2,0,0]=4 7759 B15R0.247 CCC(C)CNCCCCCCNC(=O)C 34a_200011996284_100000748023 [0,2,0,0,0,0|2,0,0]=4 7760 B15R0.247 CCC(C)CNCCCCCCSC(=O)C 270004a_100000704104_100000243153 [0,2,0,0,0,0|2,0,0]=4 7761 B15R0.247 CCC(O)CNCCCCCCNC(=O)C 2230a_200011996284_100011218378 [0,2,0,0,0,0|2,0,0]=4 7762 B15R0.247 CCC(O)CNCCCCCCNC(=O)C 34a_200011996284_100011218378 [0,2,0,0,0,0|2,0,0]=4 7763 B15R0.247 CCN(C)CCCOCCCCCC(=O)N 7a_100000123541_100015186262 [0,2,0,0,0,0|2,0,0]=4 7764 B15R0.247 CCN(C)CCCOCCCCCC(=O)[O-] 7a_100102619762_100015186262 [0,2,0,0,0,0|2,0,0]=4 7765 B15R0.247 CCN(C)CCCSCCCCCC(=O)N 62a_100009817443_100015186262 [0,2,0,0,0,0|2,0,0]=4 7766 B15R0.247 CC[C@H](C)CNCCCCCCNC(=O)C 2230a_200011996284_100009816398 [0,2,0,0,0,0|2,0,0]=4 7767 B15R0.247 CC[C@H](C)CNCCCCCCNC(=O)C 34a_200011996284_100009816398 [0,2,0,0,0,0|2,0,0]=4 7768 B15R0.247 CNC(=O)CCCNCCCCCC(C)C 2230a_100000740002_100000210682 [0,2,0,0,0,0|2,0,0]=4 7769 B15R0.247 CNC(=O)CCCNCCCCCC(C)C 2230a_100011290863_100000741757 [0,2,0,0,0,0|2,0,0]=4 7770 B15R0.247 CNC(=O)CCCNCCCCCC(C)C 34a_100000740002_100000210682 [0,2,0,0,0,0|2,0,0]=4 7771 B15R0.247 CNC(=O)CCCNCCCCCC(C)C 34a_100011290863_100000741757 [0,2,0,0,0,0|2,0,0]=4 7772 B15R0.247 CNC(=O)CCCOCCCCCC(C)C 34a_100011995859_100000741757 [0,2,0,0,0,0|2,0,0]=4 7773 B15R0.247 CNC(=O)CCCOCCCCCC(C)C 7a_100011995859_100000741757 [0,2,0,0,0,0|2,0,0]=4 7774 B15R0.247 CNC(=O)CCCSCCCCCC(C)C 62a_100000210682_100000741757 [0,2,0,0,0,0|2,0,0]=4 7775 B15R0.247 CNC(=O)CCCSCCCCCC(C)C 62a_100000741757_100000210682 [0,2,0,0,0,0|2,0,0]=4 7776 B15R0.247 CNC(=O)CCNCCCCCCC(C)C 2230a_100000211014_100000737683 [0,2,0,0,0,0|2,0,0]=4 7777 B15R0.247 CNC(=O)CCNCCCCCCC(C)C 34a_100000211014_100012179268 [0,2,0,0,0,0|2,0,0]=4 7778 B15R0.247 CNC(=O)COCCCCCCCC(C)C 34a_200000210741_100000183359 [0,2,0,0,0,0|2,0,0]=4 7779 B15R0.247 CNC(=O)COCCCCCCCC(C)C 7a_200000210741_100000183359 [0,2,0,0,0,0|2,0,0]=4 7780 B15R0.247 COC(=O)CCCCCCCCCC(=O)C 1458a_100000070787_100009813843 [0,2,0,0,0,0|1,0,1]=4 7781 B15R0.247 COC(=O)CCCCCCCCCC(=O)C 1458a_100009997464_200000210301 [0,2,0,0,0,0|1,0,1]=4 7782 B15R0.247 COC(=O)CCCCCCCCCC(=O)[13CH3] 1458a_100009997464_200025704644 [0,2,0,0,0,0|1,0,1]=4 7783 B15R0.247 COC(=O)CCCCCCCCCN(C)C 2230a_100102631434_100009813843 [0,2,0,0,0,0|2,0,0]=4 7784 B15R0.247 COC(=O)CCCCCCCCCN(C)C 269982a_100102631434_100009813843 [0,2,0,0,0,0|2,0,0]=4 7785 B15R0.247 COC(=O)CCCCCCCCNC(C)C 2230a_100138425928_100010282707 [0,2,0,0,0,0|2,0,0]=4 7786 B15R0.247 COC(=O)CCCCCCCCNC(C)C 34a_100138425928_100010282707 [0,2,0,0,0,0|2,0,0]=4 7787 B15R0.247 COC(=O)CCCCCCCCOC(C)C 34a_100000035544_100000210206 [0,2,0,0,0,0|2,0,0]=4 7788 B15R0.247 COC(=O)CCCCCCCCOC(C)C 34a_100000212225_100010282707 [0,2,0,0,0,0|2,0,0]=4 7789 B15R0.247 COC(=O)CCCCCCCCOC(C)C 7a_100000035544_100000210206 [0,2,0,0,0,0|2,0,0]=4 7790 B15R0.247 COC(=O)CCCCCCCCSC(C)C 62a_100000210206_100010282707 [0,2,0,0,0,0|2,0,0]=4 7791 B15R0.247 COC(=O)CCCCCCCCSC(C)C 62a_100010282707_100000210206 [0,2,0,0,0,0|2,0,0]=4 7792 B15R0.247 COC(=O)CCCCCCCNCC(C)C 2230a_100000210953_100010004213 [0,2,0,0,0,0|2,0,0]=4 7793 B15R0.247 COC(=O)CCCCCCCNCC(C)C 34a_100000210953_100010004213 [0,2,0,0,0,0|2,0,0]=4 7794 B15R0.247 COC(=O)CCCCCCCNCC(C)O 2230a_100000210904_100010004213 [0,2,0,0,0,0|2,0,0]=4 7795 B15R0.247 COC(=O)CCCCCCCNCC(C)O 34a_100000210904_100010004213 [0,2,0,0,0,0|2,0,0]=4 7796 B15R0.247 COC(=O)CCCCCCCOCC(C)Br 34a_100012180447_100010004213 [0,2,0,0,0,0|2,0,0]=4 7797 B15R0.247 COC(=O)CCCCCCCOCC(C)C 34a_100000210257_100010004213 [0,2,0,0,0,0|2,0,0]=4 7798 B15R0.247 COC(=O)CCCCCCCOCC(C)C 34a_100011022521_100000210624 [0,2,0,0,0,0|2,0,0]=4 7799 B15R0.247 COC(=O)CCCCCCCOCC(C)C 7a_100011022521_100000210760 [0,2,0,0,0,0|2,0,0]=4 7800 B15R0.247 COC(=O)CCCCCCCOCC(C)F 34a_100015925927_100010004213 [0,2,0,0,0,0|2,0,0]=4 7801 B15R0.247 COC(=O)CCCCCCCOCC(C)O 34a_100011022521_100011218427 [0,2,0,0,0,0|2,0,0]=4 7802 B15R0.247 COC(=O)CCCCCCCOCC(C)O 7a_100011022521_100011218427 [0,2,0,0,0,0|2,0,0]=4 7803 B15R0.247 COC(=O)CCCCCCCOC[C@@H](C)Cl 34a_100016084084_100010004213 [0,2,0,0,0,0|2,0,0]=4 7804 B15R0.247 COC(=O)CCCCCCCOC[C@@H](C)N 34a_100000737577_100010004213 [0,2,0,0,0,0|2,0,0]=4 7805 B15R0.247 COC(=O)CCCCCCCOC[C@@H](C)O 34a_100011022521_100009817552 [0,2,0,0,0,0|2,0,0]=4 7806 B15R0.247 COC(=O)CCCCCCCOC[C@@H](C)O 7a_100011022521_100009817552 [0,2,0,0,0,0|2,0,0]=4 7807 B15R0.247 COC(=O)CCCCCCCSCC(C)C 62a_100000210624_100010004213 [0,2,0,0,0,0|2,0,0]=4 7808 B15R0.247 COC(=O)CCCCCCCSCC(C)C 62a_100010004213_100000210760 [0,2,0,0,0,0|2,0,0]=4 7809 B15R0.247 COC(=O)CCCCCCCSCC(C)O 62a_100010004213_100011218427 [0,2,0,0,0,0|2,0,0]=4 7810 B15R0.247 COC(=O)CCCCCCCSCC(C)O 62a_100011218427_100010004213 [0,2,0,0,0,0|2,0,0]=4 7811 B15R0.247 COC(=O)CCCCCCCSC[C@@H](C)O 62a_100009817552_100010004213 [0,2,0,0,0,0|2,0,0]=4 7812 B15R0.247 COC(=O)CCCCCCCSC[C@@H](C)O 62a_100010004213_100009817552 [0,2,0,0,0,0|2,0,0]=4 7813 B15R0.247 COC(=O)CCCCCCNCCC(C)O 2230a_200000755665_100009815986 [0,2,0,0,0,0|2,0,0]=4 7814 B15R0.247 COC(=O)CCCCCCOCCC(C)Br 34a_100009893172_100009815986 [0,2,0,0,0,0|2,0,0]=4 7815 B15R0.247 COC(=O)CCCCCCOCCC(C)C 34a_100000210254_100009815986 [0,2,0,0,0,0|2,0,0]=4 7816 B15R0.247 COC(=O)CCCCCCOCCC(C)C 34a_100009863599_100000210312 [0,2,0,0,0,0|2,0,0]=4 7817 B15R0.247 COC(=O)CCCCCCOCCC(C)C 7a_100000210254_100009815986 [0,2,0,0,0,0|2,0,0]=4 7818 B15R0.247 COC(=O)CCCCCCOCCC(C)C 7a_100009863599_100000210626 [0,2,0,0,0,0|2,0,0]=4 7819 B15R0.247 COC(=O)CCCCCCOCCC(C)O 34a_100009863599_100012276601 [0,2,0,0,0,0|2,0,0]=4 7820 B15R0.247 COC(=O)CCCCCCOCCC(C)O 7a_100009863599_100012276601 [0,2,0,0,0,0|2,0,0]=4 7821 B15R0.247 COC(=O)CCCCCCOCC[C@@H](C)N 34a_100000706166_100009815986 [0,2,0,0,0,0|2,0,0]=4 7822 B15R0.247 COC(=O)CCCCCCSCCC(C)C 62a_100000210312_100009815986 [0,2,0,0,0,0|2,0,0]=4 7823 B15R0.247 COC(=O)CCCCCCSCCC(C)C 62a_100009815986_100000210312 [0,2,0,0,0,0|2,0,0]=4 7824 B15R0.247 COC(=O)CCCCCCSCCC(C)O 62a_100009815986_100012276601 [0,2,0,0,0,0|2,0,0]=4 7825 B15R0.247 COC(=O)CCCCCCSCCC(C)O 62a_100012276601_100009815986 [0,2,0,0,0,0|2,0,0]=4 7826 B15R0.247 COC(=O)CCCCCNCCCC(C)C 2230a_200000737386_100009816466 [0,2,0,0,0,0|2,0,0]=4 7827 B15R0.247 COC(=O)CCCCCNCCCC(C)C 34a_200000737386_100009816466 [0,2,0,0,0,0|2,0,0]=4 7828 B15R0.247 COC(=O)CCCCCOCCCC(C)C 34a_100000074720_100011214892 [0,2,0,0,0,0|2,0,0]=4 7829 B15R0.247 COC(=O)CCCCCOCCCC(C)C 34a_100000210774_100009816466 [0,2,0,0,0,0|2,0,0]=4 7830 B15R0.247 COC(=O)CCCCCOCCCC(C)C 7a_100000074720_100011214892 [0,2,0,0,0,0|2,0,0]=4 7831 B15R0.247 COC(=O)CCCCCOCCCC(C)C 7a_100000210774_100009816466 [0,2,0,0,0,0|2,0,0]=4 7832 B15R0.247 COC(=O)CCCCCOCCCC(C)O 34a_100000074720_200000718107 [0,2,0,0,0,0|2,0,0]=4 7833 B15R0.247 COC(=O)CCCCCOCCCC(C)O 7a_100000074720_200000718107 [0,2,0,0,0,0|2,0,0]=4 7834 B15R0.247 COC(=O)CCCCCSCCCC(C)C 62a_100009816466_100011214892 [0,2,0,0,0,0|2,0,0]=4 7835 B15R0.247 COC(=O)CCCCCSCCCC(C)C 62a_100011214892_100009816466 [0,2,0,0,0,0|2,0,0]=4 7836 B15R0.247 COC(=O)CCCCCSCCCC(C)O 62a_100009816466_200000718107 [0,2,0,0,0,0|2,0,0]=4 7837 B15R0.247 COC(=O)CCCCCSCCCC(C)O 62a_200000718107_100009816466 [0,2,0,0,0,0|2,0,0]=4 7838 B15R0.247 COC(=O)CCCCOCCCCC(C)C 34a_100000059025_100011216152 [0,2,0,0,0,0|2,0,0]=4 7839 B15R0.247 COC(=O)CCCCOCCCCC(C)C 34a_100011214890_100000204269 [0,2,0,0,0,0|2,0,0]=4 7840 B15R0.247 COC(=O)CCCCOCCCCC(C)C 7a_100000059025_100011216152 [0,2,0,0,0,0|2,0,0]=4 7841 B15R0.247 COC(=O)CCCCOCCCCC(C)C 7a_100011214890_100000204269 [0,2,0,0,0,0|2,0,0]=4 7842 B15R0.247 COC(=O)CCCCSCCCCC(C)C 62a_100000204269_100011216152 [0,2,0,0,0,0|2,0,0]=4 7843 B15R0.247 COC(=O)CCCCSCCCCC(C)C 62a_100011216152_100000204269 [0,2,0,0,0,0|2,0,0]=4 7844 B15R0.247 COC(=O)CCCNCCCCCC(C)C 2230a_100011290863_100011218270 [0,2,0,0,0,0|2,0,0]=4 7845 B15R0.247 COC(=O)CCCNCCCCCC(C)C 34a_100011290863_100000742333 [0,2,0,0,0,0|2,0,0]=4 7846 B15R0.247 COC(=O)CCCOCCCCCC(C)C 34a_100011995859_100000742333 [0,2,0,0,0,0|2,0,0]=4 7847 B15R0.247 COC(=O)CCCOCCCCCC(C)C 7a_100011995859_100011218270 [0,2,0,0,0,0|2,0,0]=4 7848 B15R0.247 COC(=O)CCCSCCCCCC(C)C 62a_100000210682_100011218270 [0,2,0,0,0,0|2,0,0]=4 7849 B15R0.247 COC(=O)CCCSCCCCCC(C)C 62a_100011218270_100000210682 [0,2,0,0,0,0|2,0,0]=4 7850 B15R0.247 COC(=O)CCNCCCCCCC(C)C 2230a_100000211014_100000204255 [0,2,0,0,0,0|2,0,0]=4 7851 B15R0.247 COC(=O)CCNCCCCCCC(C)C 34a_100000211014_100000742370 [0,2,0,0,0,0|2,0,0]=4 7852 B15R0.247 COC(=O)COCCCCCCCC(C)C 34a_200000210741_100000747449 [0,2,0,0,0,0|2,0,0]=4 7853 B15R0.247 COC(=O)COCCCCCCCC(C)C 7a_200000210741_100000747449 [0,2,0,0,0,0|2,0,0]=4 7854 B15R0.247 C[C@@H](CN)CCCOCCCCCC(=O)N 34a_100160569302_100009817443 [0,2,0,0,0,0|2,0,0]=4 7855 B15R0.2662 CC(=O)CCCCCCCCCC(F)(F)F 1458a_100000070787_200041927475 [0,2,0,0,0,0|2,0,0]=4 7856 B15R0.2662 CC(=O)CCCOCCCCCC(C)(C)O 34a_100000759063_100010402123 [0,2,0,0,0,0|2,0,0]=4 7857 B15R0.2662 CC(=O)CCCOCCCCCC(C)(C)O 7a_100000759063_100010402123 [0,2,0,0,0,0|2,0,0]=4 7858 B15R0.2662 CC(=O)CCCSCCCCCC(C)(C)O 62a_100010402123_100011215641 [0,2,0,0,0,0|2,0,0]=4 7859 B15R0.2662 CC(=O)CCCSCCCCCC(C)(C)O 62a_100011215641_100010402123 [0,2,0,0,0,0|2,0,0]=4 7860 B15R0.2662 CC(C)(O)CCCCCNCCCC(=O)N 34a_100000739312_100010402123 [0,2,0,0,0,0|2,0,0]=4 7861 B15R0.2662 CC(C)(O)CCCCCSCCCC(=O)N 62a_100010402123_100102525003 [0,2,0,0,0,0|2,0,0]=4 7862 B15R0.2662 CC(C)(O)CCCCCSCCCC(=O)N 62a_100102525003_100010402123 [0,2,0,0,0,0|2,0,0]=4 7863 B15R0.2662 CC(C)(O)CCCOCCCCCC(=O)N 34a_100000123541_100009888830 [0,2,0,0,0,0|2,0,0]=4 7864 B15R0.2662 CC(C)(O)CCCOCCCCCC(=O)N 7a_100000123541_100009888830 [0,2,0,0,0,0|2,0,0]=4 7865 B15R0.2662 CC(C)(O)CCCOCCCCCC(=O)[O-] 7a_100102619762_100009888830 [0,2,0,0,0,0|2,0,0]=4 7866 B15R0.2662 CC(C)(O)CCCSCCCCCC(=O)N 62a_100009817443_100009888830 [0,2,0,0,0,0|2,0,0]=4 7867 B15R0.2662 CC(C)(O)CCCSCCCCCC(=O)N 62a_100009888830_100009817443 [0,2,0,0,0,0|2,0,0]=4 7868 B15R0.2702 CC(=O)C(C)OCCCCCCCC(C)C 7a_200000210741_100000179758 [0,2,0,0,0,0|2,0,0]=4 7869 B15R0.2702 CC(C)C(N)CCOCCCCCC(=O)N 34a_100161115045_100009817443 [0,2,0,0,0,0|2,0,0]=4 7870 B15R0.2702 CC(C)CCCCCCCOC(C)C(=O)N 34a_200000210741_100000702099 [0,2,0,0,0,0|2,0,0]=4 7871 B15R0.2702 CC(C)CCCCCCCOC(C)C(=O)N 7a_200000210741_100000702099 [0,2,0,0,0,0|2,0,0]=4 7872 B15R0.2702 CC(C)CCCCCCCOC(F)C(=O)N 34a_200000210741_100009813875 [0,2,0,0,0,0|2,0,0]=4 7873 B15R0.2702 CC(C)CCCCCCCOC(F)C(=O)N 7a_200000210741_100009813875 [0,2,0,0,0,0|2,0,0]=4 7874 B15R0.2702 CC(C)CCCCCCCOC(F)C(=O)[O-] 34a_200000210741_100020610796 [0,2,0,0,0,0|2,0,0]=4 7875 B15R0.2704 CC(C)CCC(C)NCCCCCC(=O)N 2230a_100138410893_100009817443 [0,2,0,0,0,0|2,0,0]=4 7876 B15R0.2704 CC(C)CCC(C)OCCCCCC(=O)N 34a_100000123541_100011261404 [0,2,0,0,0,0|2,0,0]=4 7877 B15R0.2704 CC(C)CCC(C)OCCCCCC(=O)N 34a_100011215350_100009817443 [0,2,0,0,0,0|2,0,0]=4 7878 B15R0.2704 CC(C)CCC(C)OCCCCCC(=O)N 7a_100011215350_100009817443 [0,2,0,0,0,0|2,0,0]=4 7879 B15R0.2704 CC(C)CCC(C)SCCCCCC(=O)N 62a_100009817443_100011261404 [0,2,0,0,0,0|2,0,0]=4 7880 B15R0.2704 CC(C)CCC(C)SCCCCCC(=O)N 62a_100011261404_100009817443 [0,2,0,0,0,0|2,0,0]=4 7881 B15R0.5184 CC(=O)CCCCC(=O)CCCCC(C)C 1458a_100011933920_100000735457 [0,2,0,0,0,0|1,0,1]=4 7882 B15R0.252 CCCCCCCCCCCNS(=O)(=O)C 40a_200011215754_100000738038 [0,2,0,0,0,0|2,0,0]=4 7883 B15R0.252 CCCCCCCCCCNCS(=O)(=O)[O-] 34a_100000684558_100009817235 [0,2,0,0,0,0|2,0,0]=4 7884 B15R0.252 CCCCCCCCCCOCC(F)(F)Cl 34a_100000734434_100000210320 [0,2,0,0,0,0|1,0,1]=4 7885 B15R0.252 CCCCCCCCCCOCS(=O)(=O)[O-] 34a_100000210711_100009817235 [0,2,0,0,0,0|2,0,0]=4 7886 B15R0.252 CCCCCCCCCCSCS(=O)(=O)N 62a_100000741382_100000210320 [0,2,0,0,0,0|2,0,0]=4 7887 B15R0.252 CCCCCCCCCCSCS(=O)(=O)[O-] 62a_100009817235_100000210320 [0,2,0,0,0,0|2,0,0]=4 7888 B15R0.252 CCCCCCCCCNCCS(=O)(=O)C 2230a_100000212291_100000731031 [0,2,0,0,0,0|2,0,0]=4 7889 B15R0.252 CCCCCCCCCNCCS(=O)(=O)C 2230a_100000740961_100011214924 [0,2,0,0,0,0|2,0,0]=4 7890 B15R0.252 CCCCCCCCCNCCS(=O)(=O)C 34a_100000212291_100000731031 [0,2,0,0,0,0|2,0,0]=4 7891 B15R0.252 CCCCCCCCCNCCS(=O)(=O)C 34a_100000740961_100011214924 [0,2,0,0,0,0|2,0,0]=4 7892 B15R0.252 CCCCCCCCCNCCS(=O)(=O)N 2230a_100000738205_100011214924 [0,2,0,0,0,0|2,0,0]=4 7893 B15R0.252 CCCCCCCCCNCCS(=O)(=O)N 34a_100000738205_100011214924 [0,2,0,0,0,0|2,0,0]=4 7894 B15R0.252 CCCCCCCCCNCCS(=O)(=O)[O-] 2230a_100000212291_100000737633 [0,2,0,0,0,0|2,0,0]=4 7895 B15R0.252 CCCCCCCCCNCCS(=O)(=O)[O-] 34a_100000212291_100000762736 [0,2,0,0,0,0|2,0,0]=4 7896 B15R0.252 CCCCCCCCCOCCS(=O)(=O)C 34a_100000210712_100000731031 [0,2,0,0,0,0|2,0,0]=4 7897 B15R0.252 CCCCCCCCCOCCS(=O)(=O)C 34a_100000211924_100011214924 [0,2,0,0,0,0|2,0,0]=4 7898 B15R0.252 CCCCCCCCCOCCS(=O)(=O)C 7a_100000210712_100000230027 [0,2,0,0,0,0|2,0,0]=4 7899 B15R0.252 CCCCCCCCCOCCS(=O)(=O)C 7a_100000211924_100000210328 [0,2,0,0,0,0|2,0,0]=4 7900 B15R0.252 CCCCCCCCCOCCS(=O)(=O)N 34a_100012334274_100011214924 [0,2,0,0,0,0|2,0,0]=4 7901 B15R0.252 CCCCCCCCCOCCS(=O)(=O)[O-] 34a_100000210712_100000762736 [0,2,0,0,0,0|2,0,0]=4 7902 B15R0.252 CCCCCCCCCSCCS(=O)(=O)C 62a_100000731031_100000210670 [0,2,0,0,0,0|2,0,0]=4 7903 B15R0.252 CCCCCCCCCSCCS(=O)(=O)[O-] 62a_100000762736_100000210670 [0,2,0,0,0,0|2,0,0]=4 7904 B15R0.252 CCCCCCCCNCCCS(=O)(=O)C 2230a_100000229939_100000754308 [0,2,0,0,0,0|2,0,0]=4 7905 B15R0.252 CCCCCCCCNCCCS(=O)(=O)C 2230a_100000742409_100000210759 [0,2,0,0,0,0|2,0,0]=4 7906 B15R0.252 CCCCCCCCNCCCS(=O)(=O)C 34a_100000229939_100000754308 [0,2,0,0,0,0|2,0,0]=4 7907 B15R0.252 CCCCCCCCNCCCS(=O)(=O)C 34a_100000742409_100000210759 [0,2,0,0,0,0|2,0,0]=4 7908 B15R0.252 CCCCCCCCNCCCS(=O)(=O)N 2230a_100000229939_100000750626 [0,2,0,0,0,0|2,0,0]=4 7909 B15R0.252 CCCCCCCCNCCCS(=O)(=O)N 34a_100000229939_100000750626 [0,2,0,0,0,0|2,0,0]=4 7910 B15R0.252 CCCCCCCCNCCCS(=O)(=O)[O-] 34a_100000229939_100009813499 [0,2,0,0,0,0|2,0,0]=4 7911 B15R0.252 CCCCCCCCOCCCS(=O)(=O)C 34a_100000210232_100000754308 [0,2,0,0,0,0|2,0,0]=4 7912 B15R0.252 CCCCCCCCOCCCS(=O)(=O)C 34a_100000689940_100000210759 [0,2,0,0,0,0|2,0,0]=4 7913 B15R0.252 CCCCCCCCOCCCS(=O)(=O)C 7a_100000210232_100000754308 [0,2,0,0,0,0|2,0,0]=4 7914 B15R0.252 CCCCCCCCOCCCS(=O)(=O)C 7a_100000689940_100000210759 [0,2,0,0,0,0|2,0,0]=4 7915 B15R0.252 CCCCCCCCOCCCS(=O)(=O)N 34a_100000210232_100000750626 [0,2,0,0,0,0|2,0,0]=4 7916 B15R0.252 CCCCCCCCOCCCS(=O)(=O)N 7a_100000210232_100000750626 [0,2,0,0,0,0|2,0,0]=4 7917 B15R0.252 CCCCCCCCOCCCS(=O)(=O)[O-] 34a_100000210232_100009813499 [0,2,0,0,0,0|2,0,0]=4 7918 B15R0.252 CCCCCCCCSCCCS(=O)(=O)C 62a_100000210759_100000754308 [0,2,0,0,0,0|2,0,0]=4 7919 B15R0.252 CCCCCCCCSCCCS(=O)(=O)C 62a_100000754308_100000210317 [0,2,0,0,0,0|2,0,0]=4 7920 B15R0.252 CCCCCCCCSCCCS(=O)(=O)N 62a_100000210759_100000750626 [0,2,0,0,0,0|2,0,0]=4 7921 B15R0.252 CCCCCCCCSCCCS(=O)(=O)N 62a_100000750626_100000210317 [0,2,0,0,0,0|2,0,0]=4 7922 B15R0.252 CCCCCCCCSCCCS(=O)(=O)[O-] 62a_100000210759_100009813499 [0,2,0,0,0,0|2,0,0]=4 7923 B15R0.252 CCCCCCCCSCCCS(=O)(=O)[O-] 62a_100009813499_100000210317 [0,2,0,0,0,0|2,0,0]=4 7924 B15R0.254 CCCCCCCCCCNS(=O)(=O)CCl 270084a_100000684558_100000031410 [0,2,0,0,0,0|2,0,0]=4 7925 B15R0.254 CCCCCCCCCCNS(=O)(=O)CCl 274078a_100000684558_100000031410 [0,2,0,0,0,0|2,0,0]=4 7926 B15R0.50 CCCCC(C)C(=O)CCCCCC(=O)N 1458a_100000725509_100009817443 [0,2,0,0,0,0|1,0,1]=4 7927 B15R0.50 CCCCC(O)C(=O)CCCCCC(=O)N 1458a_100000720857_100009817443 [0,2,0,0,0,0|1,0,1]=4 7928 B15R0.99 CCC(C)CC(C)NCCCCCC(=O)N 2230a_100000763565_100009817443 [0,2,0,0,0,0|2,0,0]=4 7929 B15R0.209 CCCCC(=O)CCCCCCC(=O)OC 1458a_100000036694_100000210211 [0,2,0,0,0,0|1,0,1]=4 7930 B15R0.209 CCCCC(=O)CCCCCCC(=O)OC 1458a_100000210183_100009815986 [0,2,0,0,0,0|1,0,1]=4 7931 B15R0.209 CCCCC(C)CCCCOCC(=O)CC 7a_200011021034_100000747405 [0,2,0,0,0,0|2,0,0]=4 7932 B15R0.209 CCCCC(C)CCCCOCC(=O)NC 34a_200011021034_100000183359 [0,2,0,0,0,0|2,0,0]=4 7933 B15R0.209 CCCCC(C)CCCCOCC(=O)NC 7a_200011021034_100000183359 [0,2,0,0,0,0|2,0,0]=4 7934 B15R0.209 CCCCC(C)CCCCOCC(=O)OC 34a_200011021034_100000747449 [0,2,0,0,0,0|2,0,0]=4 7935 B15R0.209 CCCCC(C)CCCCOCC(=O)OC 7a_200011021034_100000747449 [0,2,0,0,0,0|2,0,0]=4 7936 B15R0.209 CCCCC(C)COCCCCC(=O)OC 34a_100011995851_100000204269 [0,2,0,0,0,0|2,0,0]=4 7937 B15R0.209 CCCCC(C)COCCCCC(=O)OC 7a_100011995851_100000204269 [0,2,0,0,0,0|2,0,0]=4 7938 B15R0.209 CCCCC(C)NCCCCCC(=O)OC 2230a_100000126638_100009816466 [0,2,0,0,0,0|2,0,0]=4 7939 B15R0.209 CCCCC(C)OCCCCCC(=O)OC 34a_100000074720_200011215066 [0,2,0,0,0,0|2,0,0]=4 7940 B15R0.209 CCCCC(C)OCCCCCC(=O)OC 34a_100000687866_100009816466 [0,2,0,0,0,0|2,0,0]=4 7941 B15R0.209 CCCCC(C)OCCCCCC(=O)OC 7a_100000074720_200011215066 [0,2,0,0,0,0|2,0,0]=4 7942 B15R0.209 CCCCC(C)OCCCCCC(=O)OC 7a_100000687866_100009816466 [0,2,0,0,0,0|2,0,0]=4 7943 B15R0.209 CCCCC(C)SCCCCCC(=O)OC 62a_100009816466_200011215066 [0,2,0,0,0,0|2,0,0]=4 7944 B15R0.209 CCCCC(C)SCCCCCC(=O)OC 62a_200011215066_100009816466 [0,2,0,0,0,0|2,0,0]=4 7945 B15R0.209 CCCCN(C)CCCCCCC(=O)OC 2230a_100000207549_100009815986 [0,2,0,0,0,0|2,0,0]=4 7946 B15R0.209 CCCCN(C)CCCCCCC(=O)OC 269982a_100000207549_100009815986 [0,2,0,0,0,0|2,0,0]=4 7947 B15R0.209 CCCC[C@H](N)COCCCCC(=O)OC 34a_100011934283_100000204269 [0,2,0,0,0,0|2,0,0]=4 7948 B15R0.214 CCCCC(C)CCCCOC(C)C(=O)C 7a_200011021034_100000179758 [0,2,0,0,0,0|2,0,0]=4 7949 B15R0.214 CCCCC(C)CCCCOC(C)C(=O)N 34a_200011021034_100000702099 [0,2,0,0,0,0|2,0,0]=4 7950 B15R0.214 CCCCC(C)CCCCOC(C)C(=O)N 7a_200011021034_100000702099 [0,2,0,0,0,0|2,0,0]=4 7951 B15R0.214 CCCCC(C)CCCCOC(F)C(=O)N 34a_200011021034_100009813875 [0,2,0,0,0,0|2,0,0]=4 7952 B15R0.214 CCCCC(C)CCCCOC(F)C(=O)N 7a_200011021034_100009813875 [0,2,0,0,0,0|2,0,0]=4 7953 B15R0.214 CCCCC(C)CCCCOC(F)C(=O)[O-] 34a_200011021034_100020610796 [0,2,0,0,0,0|2,0,0]=4 7954 B15R0.234 CC(=O)CCCCOC[C@@H](N)CCCCN 34a_100016993712_100009817362 [0,2,0,0,0,0|2,0,0]=4 7955 B15R0.234 CCCCCC(=O)CCCCCNC(=O)C 1458a_100000183861_100000210326 [0,2,0,0,0,0|1,0,1]=4 7956 B15R0.234 CCCCCC(=O)CCCCCOC(=O)C 1458a_100000212188_100000033007 [0,2,0,0,0,0|1,0,1]=4 7957 B15R0.234 CCCCCC(=O)CNCCCCC(=O)N 34a_100000696515_200012276598 [0,2,0,0,0,0|1,0,1]=4 7958 B15R0.234 CCCCCC(=O)COCCCCC(=O)N 34a_100012022536_200012276598 [0,2,0,0,0,0|1,0,1]=4 7959 B15R0.234 CCCCCC(=O)COCCCCC(=O)N 7a_100012022536_200012276598 [0,2,0,0,0,0|1,0,1]=4 7960 B15R0.234 CCCCCC(=O)CSCCCCC(=O)C 62a_100000735457_200012276598 [0,2,0,0,0,0|1,0,1]=4 7961 B15R0.234 CCCCCC(=O)CSCCCCC(=O)C 62a_200012276598_100000735457 [0,2,0,0,0,0|1,0,1]=4 7962 B15R0.234 CCCCCC(C)NCCCCCC(=O)N 2230a_100000211957_100009817443 [0,2,0,0,0,0|1,0,0]=3 7963 B15R0.234 CCCCCC(C)NCCCCNC(=O)C 2230a_200011368371_200011218191 [0,2,0,0,0,0|2,0,0]=4 7964 B15R0.234 CCCCCC(C)NCCCCNC(=O)C 270004a_200011368371_100000211708 [0,2,0,0,0,0|2,0,0]=4 7965 B15R0.234 CCCCCC(C)NCCCCNC(=O)C 34a_200011368371_200011218191 [0,2,0,0,0,0|2,0,0]=4 7966 B15R0.234 CCCCCC(C)NCCCCSC(=O)C 2230a_100000211957_200010402107 [0,2,0,0,0,0|2,0,0]=4 7967 B15R0.234 CCCCCC(C)OCCCCCC(=O)N 34a_100000123541_200011218191 [0,2,0,0,0,0|1,0,0]=3 7968 B15R0.234 CCCCCC(C)OCCCCCC(=O)N 34a_100011215632_100009817443 [0,2,0,0,0,0|1,0,0]=3 7969 B15R0.234 CCCCCC(C)OCCCCCC(=O)N 7a_100000123541_200011218191 [0,2,0,0,0,0|1,0,0]=3 7970 B15R0.234 CCCCCC(C)OCCCCCC(=O)N 7a_100011215632_100009817443 [0,2,0,0,0,0|1,0,0]=3 7971 B15R0.234 CCCCCC(C)OCCCCCC(=O)[O-] 7a_100102619762_200011218191 [0,2,0,0,0,0|1,0,0]=3 7972 B15R0.234 CCCCCC(C)OCCCCOC(=O)C 34a_100000073216_200011218191 [0,2,0,0,0,0|2,0,0]=4 7973 B15R0.234 CCCCCC(C)OCCCCOC(=O)C 34a_100011215632_100000033659 [0,2,0,0,0,0|2,0,0]=4 7974 B15R0.234 CCCCCC(C)OCCCCOC(=O)C 7a_100000073216_200011218191 [0,2,0,0,0,0|2,0,0]=4 7975 B15R0.234 CCCCCC(C)OCCCCOC(=O)C 7a_100011215632_100000033659 [0,2,0,0,0,0|2,0,0]=4 7976 B15R0.234 CCCCCC(C)OCCCCSC(=O)C 34a_100011215632_200010402107 [0,2,0,0,0,0|2,0,0]=4 7977 B15R0.234 CCCCCC(C)OCCCCSC(=O)C 7a_100011215632_200010402107 [0,2,0,0,0,0|2,0,0]=4 7978 B15R0.234 CCCCCC(C)SCCCCCC(=O)N 62a_100009817443_200011218191 [0,2,0,0,0,0|1,0,0]=3 7979 B15R0.234 CCCCCC(C)SCCCCCC(=O)N 62a_200011218191_100009817443 [0,2,0,0,0,0|1,0,0]=3 7980 B15R0.234 CCCCCC(C)SCCCCOC(=O)C 62a_100000033659_200011218191 [0,2,0,0,0,0|2,0,0]=4 7981 B15R0.234 CCCCCC(C)SCCCCOC(=O)C 62a_200011218191_100000033659 [0,2,0,0,0,0|2,0,0]=4 7982 B15R0.234 CCCCCC(C)SCCCCSC(=O)C 62a_200010402107_200011218191 [0,2,0,0,0,0|2,0,0]=4 7983 B15R0.234 CCCCCC(C)SCCCCSC(=O)C 62a_200011218191_200010402107 [0,2,0,0,0,0|2,0,0]=4 7984 B15R0.234 CCCCCN(C)CCCCCOC(=O)C 2230a_100000223495_100009813381 [0,2,0,0,0,0|2,0,0]=4 7985 B15R0.234 CCCCCN(C)CCCCCOC(=O)C 269982a_100000223495_100000033007 [0,2,0,0,0,0|2,0,0]=4 7986 B15R0.234 COCCCC(C)OCCCCCC(=O)N 34a_200011539412_100009817443 [0,2,0,0,0,0|2,0,0]=4 7987 B15R0.234 COCCCC(C)OCCCCCC(=O)N 7a_200011539412_100009817443 [0,2,0,0,0,0|2,0,0]=4 7988 B15R0.310 CCCC(C)C(C)OCCCCCC(=O)N 34a_100000708338_100009817443 [0,2,0,0,0,0|2,0,0]=4 7989 B15R0.310 CCCC(C)C(C)OCCCCCC(=O)N 7a_100000708338_100009817443 [0,2,0,0,0,0|2,0,0]=4 7990 B15R0.345 C#CC(CCCC)OCCCCCC(=O)N 34a_200011217967_100009817443 [0,2,0,0,0,0|2,0,0]=4 7991 B15R0.345 C#CC(CCCC)OCCCCCC(=O)N 7a_200011217967_100009817443 [0,2,0,0,0,0|2,0,0]=4 7992 B15R0.345 C=CC(CCCC)OCCCCCC(=O)N 34a_200011215037_100009817443 [0,2,0,0,0,0|2,0,0]=4 7993 B15R0.345 C=CC(CCCC)OCCCCCC(=O)N 7a_200011215037_100009817443 [0,2,0,0,0,0|2,0,0]=4 7994 B15R0.345 CCCCC(CC)CCCCNCC(=O)N 2230a_100000711301_200012094884 [0,2,0,0,0,0|2,0,0]=4 7995 B15R0.345 CCCCC(CC)CCCCNCC(=O)O 269956a_100016091260_200012094884 [0,2,0,0,0,0|2,0,0]=4 7996 B15R0.345 CCCCC(CC)CCCCOCC(=O)C 34a_100000211253_200012094884 [0,2,0,0,0,0|2,0,0]=4 7997 B15R0.345 CCCCC(CC)CCCCSCC(=O)N 62a_100000747473_200012094884 [0,2,0,0,0,0|2,0,0]=4 7998 B15R0.345 CCCCC(CC)CCCCSCC(=O)N 62a_200012094884_100000747473 [0,2,0,0,0,0|2,0,0]=4 7999 B15R0.345 CCCCC(CC)CCCCSCC(=O)[O-] 62a_100020667443_200012094884 [0,2,0,0,0,0|2,0,0]=4 8000 B15R0.345 CCCCC(CC)CCCCSCC(=O)[O-] 62a_200012094884_100020667443 [0,2,0,0,0,0|2,0,0]=4 8001 B15R0.345 CCCCC(CC)CNCCCCC(=O)N 269862a_100000696515_100011219736 [0,2,0,0,0,0|2,0,0]=4 8002 B15R0.345 CCCCC(CC)CNCCCCC(=O)N 270004a_100000696515_100011219736 [0,2,0,0,0,0|2,0,0]=4 8003 B15R0.345 CCCCC(CC)CNCCCCC(=O)N 34a_100000696515_100000211942 [0,2,0,0,0,0|2,0,0]=4 8004 B15R0.345 CCCCC(CC)COCCCCC(=O)C 34a_100000210273_100009817362 [0,2,0,0,0,0|2,0,0]=4 8005 B15R0.345 CCCCC(CC)COCCCCC(=O)C 7a_100000210273_100000735457 [0,2,0,0,0,0|2,0,0]=4 8006 B15R0.345 CCCCC(CC)COCCCCC(=O)N 34a_100012022536_100000211942 [0,2,0,0,0,0|2,0,0]=4 8007 B15R0.345 CCCCC(CC)COCCCCC(=O)N 7a_100012022536_100000211942 [0,2,0,0,0,0|2,0,0]=4 8008 B15R0.345 CCCCC(CC)CSCCCCC(=O)C 62a_100000211942_100000735457 [0,2,0,0,0,0|2,0,0]=4 8009 B15R0.345 CCCCC(CC)CSCCCCC(=O)C 62a_100000735457_100000211942 [0,2,0,0,0,0|2,0,0]=4 8010 B15R0.345 CCCCC(CC)OCCCCCC(=O)N 34a_100000123541_200011216223 [0,2,0,0,0,0|2,0,0]=4 8011 B15R0.345 CCCCC(CC)OCCCCCC(=O)N 34a_100011215227_100009817443 [0,2,0,0,0,0|2,0,0]=4 8012 B15R0.345 CCCCC(CC)OCCCCCC(=O)N 7a_100000123541_200011216223 [0,2,0,0,0,0|2,0,0]=4 8013 B15R0.345 CCCCC(CC)OCCCCCC(=O)N 7a_100011215227_100009817443 [0,2,0,0,0,0|2,0,0]=4 8014 B15R0.345 CCCCC(CC)OCCCCCC(=O)[O-] 7a_100102619762_200011216223 [0,2,0,0,0,0|2,0,0]=4 8015 B15R0.345 CCCCC(CC)SCCCCCC(=O)N 62a_100009817443_200011216223 [0,2,0,0,0,0|2,0,0]=4 8016 B15R0.345 CCCCC(CC)SCCCCCC(=O)N 62a_200011216223_100009817443 [0,2,0,0,0,0|2,0,0]=4 8017 B15R0.345 CCCC[C@@H](CO)NCCCCCC(=O)N 2230a_100011934283_100009817443 [0,2,0,0,0,0|2,0,0]=4 8018 B15R0.345 CCCC[C@@H](CO)NCCCCCC(=O)N 34a_100011934283_100009817443 [0,2,0,0,0,0|2,0,0]=4 8019 B15R0.3358 CCCCC(C)(C)COCCCCC(=O)C 7a_200011995781_100000735457 [0,2,0,0,0,0|2,0,0]=4 8020 B15R0.3358 CCCCC(C)(C)OCCCCCC(=O)N 7a_100011219641_100009817443 [0,2,0,0,0,0|2,0,0]=4 8021 B15R0.193 C=C(C)CCOCCC(C)CCCCCC 34a_200011024964_100000730704 [0,2,0,0,0,0|2,0,0]=4 8022 B15R0.193 C=C(C)CCOCCC(C)CCCCCC 7a_200011024964_100000730704 [0,2,0,0,0,0|2,0,0]=4 8023 B15R0.193 CCCCCCC(=O)CCCCCC(=O)N 1458a_100102632555_100009817443 [0,2,0,0,0,0|1,0,0]=3 8024 B15R0.193 CCCCCCC(=O)CCCCC[N+](=O)[O-] 1458a_100000043470_100000210757 [0,2,0,0,0,0|2,0,0]=4 8025 B15R0.193 CCCCCCC(=O)CCCCOC(=O)C 1458a_100102632555_100000033659 [0,2,0,0,0,0|1,0,1]=4 8026 B15R0.193 CCCCCCC(=O)CCCCSC(=O)C 1458a_100102632555_200010402107 [0,2,0,0,0,0|1,0,1]=4 8027 B15R0.193 CCCCCCC(=O)NCCCCC(=O)N 11a_100000696515_100102632555 [0,2,0,0,0,0|1,0,1]=4 8028 B15R0.193 CCCCCCC(=O)NCCCCC(=O)N 1626a_100000696515_100102632555 [0,2,0,0,0,0|1,0,1]=4 8029 B15R0.193 CCCCCCC(=O)NCCCCC(=O)N 240690a_100000696515_100102632555 [0,2,0,0,0,0|1,0,1]=4 8030 B15R0.193 CCCCCCC(=O)NCCCCC(=O)N 527a_100000696515_100102632555 [0,2,0,0,0,0|1,0,1]=4 8031 B15R0.193 CCCCCCC(C)CCOCCC(=O)C 7a_200011024964_100000053229 [0,2,0,0,0,0|1,0,0]=3 8032 B15R0.193 CCCCCCC(C)CCOCCC(=O)N 34a_200011024964_100000731001 [0,2,0,0,0,0|1,0,0]=3 8033 B15R0.193 CCCCCCC(C)CCOCCC(=O)N 7a_200011024964_100000744528 [0,2,0,0,0,0|1,0,0]=3 8034 B15R0.193 CCCCCCC(C)CCOCOC(=O)C 34a_200011024964_100009813279 [0,2,0,0,0,0|2,0,0]=4 8035 B15R0.193 CCCCCCC(C)NCCCCC(=O)C 34a_100000210919_100009817362 [0,2,0,0,0,0|1,0,0]=3 8036 B15R0.193 CCCCCCC(C)NCCCCC(=O)N 270004a_100000696515_100000210826 [0,2,0,0,0,0|1,0,0]=3 8037 B15R0.193 CCCCCCC(C)NCCCCC(=O)N 34a_100000696515_100011215978 [0,2,0,0,0,0|1,0,0]=3 8038 B15R0.193 CCCCCCC(C)NCCCNC(=O)C 270004a_100000736810_100000210826 [0,2,0,0,0,0|2,0,0]=4 8039 B15R0.193 CCCCCCC(C)NCCCNC(=O)C 34a_100000736810_100011215978 [0,2,0,0,0,0|2,0,0]=4 8040 B15R0.193 CCCCCCC(C)NCCCOC(=O)C 34a_100000210919_100000042594 [0,2,0,0,0,0|2,0,0]=4 8041 B15R0.193 CCCCCCC(C)NCCCSC(=O)C 2230a_100000210919_100000038929 [0,2,0,0,0,0|2,0,0]=4 8042 B15R0.193 CCCCCCC(C)NCCCSC(=O)C 34a_100000210919_100000038929 [0,2,0,0,0,0|2,0,0]=4 8043 B15R0.193 CCCCCCC(C)NCCOCC(=O)N 2230a_100000210919_100000076697 [0,2,0,0,0,0|2,0,0]=4 8044 B15R0.193 CCCCCCC(C)NCCOCC(=O)N 34a_100000210919_100000076697 [0,2,0,0,0,0|2,0,0]=4 8045 B15R0.193 CCCCCCC(C)NCCOCC(=O)O 269956a_100000700818_100011215978 [0,2,0,0,0,0|2,0,0]=4 8046 B15R0.193 CCCCCCC(C)OCCCCC(=O)C 34a_100000210265_100009817362 [0,2,0,0,0,0|1,0,0]=3 8047 B15R0.193 CCCCCCC(C)OCCCCC(=O)C 7a_100000210265_100000735457 [0,2,0,0,0,0|1,0,0]=3 8048 B15R0.193 CCCCCCC(C)OCCCCC(=O)N 34a_100012022536_100011215978 [0,2,0,0,0,0|1,0,0]=3 8049 B15R0.193 CCCCCCC(C)OCCCCC(=O)N 7a_100012022536_100011215978 [0,2,0,0,0,0|1,0,0]=3 8050 B15R0.193 CCCCCCC(C)OCCCC[N+](=O)[O-] 34a_200015379883_100011215978 [0,2,0,0,0,0|2,0,0]=4 8051 B15R0.193 CCCCCCC(C)OCCCC[N+](=O)[O-] 7a_200015379883_100011215978 [0,2,0,0,0,0|2,0,0]=4 8052 B15R0.193 CCCCCCC(C)OCCCNC(=O)C 34a_100000752032_100011215978 [0,2,0,0,0,0|2,0,0]=4 8053 B15R0.193 CCCCCCC(C)OCCCOC(=O)C 34a_100000210265_100000042594 [0,2,0,0,0,0|2,0,0]=4 8054 B15R0.193 CCCCCCC(C)OCCCOC(=O)C 7a_100000210265_100000042594 [0,2,0,0,0,0|2,0,0]=4 8055 B15R0.193 CCCCCCC(C)OCCCSC(=O)C 34a_100000210265_100000038929 [0,2,0,0,0,0|2,0,0]=4 8056 B15R0.193 CCCCCCC(C)OCCCSC(=O)C 7a_100000210265_100000038929 [0,2,0,0,0,0|2,0,0]=4 8057 B15R0.193 CCCCCCC(C)OCCOCC(=O)N 34a_100000210265_100000076697 [0,2,0,0,0,0|2,0,0]=4 8058 B15R0.193 CCCCCCC(C)OCCOCC(=O)N 7a_100000210265_100000076697 [0,2,0,0,0,0|2,0,0]=4 8059 B15R0.193 CCCCCCC(C)SCCCCC(=O)C 62a_100000735457_100011215978 [0,2,0,0,0,0|1,0,0]=3 8060 B15R0.193 CCCCCCC(C)SCCCCC(=O)C 62a_100011215978_100000735457 [0,2,0,0,0,0|1,0,0]=3 8061 B15R0.193 CCCCCCC(C)SCCCOC(=O)C 62a_100000042594_100011215978 [0,2,0,0,0,0|2,0,0]=4 8062 B15R0.193 CCCCCCC(C)SCCCOC(=O)C 62a_100011215978_100000042594 [0,2,0,0,0,0|2,0,0]=4 8063 B15R0.193 CCCCCCC(C)SCCCSC(=O)C 62a_100000038929_100011215978 [0,2,0,0,0,0|2,0,0]=4 8064 B15R0.193 CCCCCCC(C)SCCCSC(=O)C 62a_100011215978_100000038929 [0,2,0,0,0,0|2,0,0]=4 8065 B15R0.193 CCCCCCC(C)SCCOCC(=O)N 62a_100000076697_100011215978 [0,2,0,0,0,0|2,0,0]=4 8066 B15R0.193 CCCCCCC(C)SCCOCC(=O)N 62a_100011215978_100000076697 [0,2,0,0,0,0|2,0,0]=4 8067 B15R0.193 CCCCCCN(C)CCCCCC(=O)N 2230a_106256046315_100009817443 [0,2,0,0,0,0|1,0,0]=3 8068 B15R0.193 CCCCCCN(C)CCCCCC(=O)N 269982a_106256046315_100009817443 [0,2,0,0,0,0|1,0,0]=3 8069 B15R0.193 CCCCCCN(C)CCCCOC(=O)C 269982a_106256046315_100000033659 [0,2,0,0,0,0|2,0,0]=4 8070 B15R0.193 CCCCCCN(C)CCCCSC(=O)C 2230a_106256046315_200010402107 [0,2,0,0,0,0|2,0,0]=4 8071 B15R0.193 CCCCCCN(C)CCCCSC(=O)C 269982a_106256046315_200010402107 [0,2,0,0,0,0|2,0,0]=4 8072 B15R0.193 CCCCOCC(=O)CCCCCC(=O)N 1458a_100000757543_100009817443 [0,2,0,0,0,0|1,0,1]=4 8073 B15R0.193 CCCCOCC(C)OCCCCC(=O)C 34a_100011217071_100009817362 [0,2,0,0,0,0|2,0,0]=4 8074 B15R0.193 CCCCOCC(C)OCCCCC(=O)C 7a_100011217071_100000735457 [0,2,0,0,0,0|2,0,0]=4 8075 B15R0.193 CCCCSCC(=O)CCCCCC(=O)N 1458a_100000191162_100009817443 [0,2,0,0,0,0|1,0,1]=4 8076 B15R0.193 CN(CCCCCO)CCCCCC(=O)N 2230a_100000722520_100009817443 [0,2,0,0,0,0|2,0,0]=4 8077 B15R0.193 CN(CCCCCO)CCCCCC(=O)N 269982a_100000722520_100009817443 [0,2,0,0,0,0|2,0,0]=4 8078 B15R0.193 NC(=O)CCCCCC(=O)CCCCCO 1458a_100102619762_100009817443 [0,2,0,0,0,0|1,0,1]=4 8079 B15R0.233 CCCCCC(=O)CCCCCC(=O)OC 1458a_100000212188_100009816466 [0,2,0,0,0,0|1,0,1]=4 8080 B15R0.233 CCCCCC(=O)CCCCCC(=O)OC 1458a_100009848860_100000210326 [0,2,0,0,0,0|1,0,1]=4 8081 B15R0.233 CCCCCC(C)NCCCCC(=O)OC 2230a_100000211957_100000204269 [0,2,0,0,0,0|2,0,0]=4 8082 B15R0.233 CCCCCC(C)OCCCCC(=O)OC 34a_100000059025_200011218191 [0,2,0,0,0,0|2,0,0]=4 8083 B15R0.233 CCCCCC(C)OCCCCC(=O)OC 34a_100011215632_100000204269 [0,2,0,0,0,0|2,0,0]=4 8084 B15R0.233 CCCCCC(C)OCCCCC(=O)OC 7a_100000059025_200011218191 [0,2,0,0,0,0|2,0,0]=4 8085 B15R0.233 CCCCCC(C)OCCCCC(=O)OC 7a_100011215632_100000204269 [0,2,0,0,0,0|2,0,0]=4 8086 B15R0.233 CCCCCC(C)SCCCCC(=O)OC 62a_100000204269_200011218191 [0,2,0,0,0,0|2,0,0]=4 8087 B15R0.233 CCCCCC(C)SCCCCC(=O)OC 62a_200011218191_100000204269 [0,2,0,0,0,0|2,0,0]=4 8088 B15R0.233 CCCCCN(C)CCCCCC(=O)OC 2230a_100000223495_100009816466 [0,2,0,0,0,0|2,0,0]=4 8089 B15R0.233 CCCCCN(C)CCCCCC(=O)OC 269982a_100000223495_100009816466 [0,2,0,0,0,0|2,0,0]=4 8090 B15R0.399 CCCC(C)CC(=O)CCCCCC(=O)N 1458a_100000748435_100009817443 [0,2,0,0,0,0|1,0,1]=4 8091 B15R0.959 CCC(C)CCC(=O)CCCCCC(=O)N 1458a_100000701222_100009817443 [0,2,0,0,0,0|1,0,1]=4 8092 B15R0.959 CCC(C)CCC(C)OCCCCC(=O)C 7a_200011216552_100000735457 [0,2,0,0,0,0|2,0,0]=4 8093 B15R0.1566 C#CC(CCCCC)OCCCCC(=O)C 34a_100011216489_100009817362 [0,2,0,0,0,0|2,0,0]=4 8094 B15R0.1566 C#CC(CCCCC)OCCCCC(=O)C 7a_100011216489_100000735457 [0,2,0,0,0,0|2,0,0]=4 8095 B15R0.1566 C=CC(CCCCC)OCCCCC(=O)C 34a_100011216863_100009817362 [0,2,0,0,0,0|2,0,0]=4 8096 B15R0.1566 C=CC(CCCCC)OCCCCC(=O)C 7a_100011216863_100000735457 [0,2,0,0,0,0|2,0,0]=4 8097 B15R0.1566 CCCCCC(CC)NCCCCC(=O)N 270004a_100000696515_100011215316 [0,2,0,0,0,0|2,0,0]=4 8098 B15R0.1566 CCCCCC(CC)OCCCCC(=O)C 34a_100011215405_100009817362 [0,2,0,0,0,0|2,0,0]=4 8099 B15R0.1566 CCCCCC(CC)OCCCCC(=O)C 7a_100011215405_100000735457 [0,2,0,0,0,0|2,0,0]=4 8100 B15R0.3196 CCCCCC(C)C(=O)CCCCC(=O)C 1458a_100011215998_100000735457 [0,2,0,0,0,0|1,0,1]=4 8101 B15R0.111 CCCC(C)CCCOCCCCC(=O)C 34a_100011713154_100009817362 [0,2,0,0,0,0|1,0,0]=3 8102 B15R0.111 CCCC(C)CCCOCCCCC(=O)C 7a_100011713154_100000735457 [0,2,0,0,0,0|1,0,0]=3 8103 B15R0.111 CCCC(C)CCCOCCCOC(=O)C 34a_100011713154_100000042594 [0,2,0,0,0,0|2,0,0]=4 8104 B15R0.111 CCCC(C)CCCOCCCOC(=O)C 7a_100011713154_100000042594 [0,2,0,0,0,0|2,0,0]=4 8105 B15R0.111 CCCC(C)CCCOCCCSC(=O)C 34a_100011713154_100000038929 [0,2,0,0,0,0|2,0,0]=4 8106 B15R0.111 CCCC(C)CCCOCCCSC(=O)C 7a_100011713154_100000038929 [0,2,0,0,0,0|2,0,0]=4 8107 B15R0.111 CCCC(C)CCCOCCOCC(=O)N 34a_100011713154_100000076697 [0,2,0,0,0,0|2,0,0]=4 8108 B15R0.111 CCCC(C)CCCOCCOCC(=O)N 7a_100011713154_100000076697 [0,2,0,0,0,0|2,0,0]=4 8109 B15R0.111 CCCC(C)CCOCCCCCC(=O)N 34a_100011217855_100009817443 [0,2,0,0,0,0|1,0,0]=3 8110 B15R0.111 CCCC(C)CCOCCCCCC(=O)N 7a_100011217855_100009817443 [0,2,0,0,0,0|1,0,0]=3 8111 B15R0.111 CCCC(C)CCOCCCCOC(=O)C 34a_100011217855_100000033659 [0,2,0,0,0,0|2,0,0]=4 8112 B15R0.111 CCCC(C)CCOCCCCOC(=O)C 7a_100011217855_100000033659 [0,2,0,0,0,0|2,0,0]=4 8113 B15R0.111 CCCC(C)CCOCCCCSC(=O)C 34a_100011217855_200010402107 [0,2,0,0,0,0|2,0,0]=4 8114 B15R0.111 CCCC(C)CCOCCCCSC(=O)C 7a_100011217855_200010402107 [0,2,0,0,0,0|2,0,0]=4 8115 B15R0.111 CCCC(C)CNCCCCCNC(=O)C 2230a_200012022750_100011216630 [0,2,0,0,0,0|2,0,0]=4 8116 B15R0.111 CCCC(C)CNCCCCCNC(=O)C 270004a_200012022750_100000243154 [0,2,0,0,0,0|2,0,0]=4 8117 B15R0.111 CCCC(C)CNCCCCCNC(=O)C 34a_200012022750_100011216630 [0,2,0,0,0,0|2,0,0]=4 8118 B15R0.111 CCCC(C)COCCCCCOC(=O)C 34a_100000688023_100000033007 [0,2,0,0,0,0|2,0,0]=4 8119 B15R0.111 CCCC(C)COCCCCCOC(=O)C 7a_100000688023_100000033007 [0,2,0,0,0,0|2,0,0]=4 8120 B15R0.111 CCCC(C)CSCCCCCOC(=O)C 62a_100000033007_100011216630 [0,2,0,0,0,0|2,0,0]=4 8121 B15R0.111 CCCC(C)CSCCCCCOC(=O)C 62a_100011216630_100000033007 [0,2,0,0,0,0|2,0,0]=4 8122 B15R0.111 CCCC(C)NCCCCCCNC(=O)C 2230a_200011996284_100000766640 [0,2,0,0,0,0|2,0,0]=4 8123 B15R0.111 CCCC(C)NCCCCCCNC(=O)C 270004a_200011996284_100000211909 [0,2,0,0,0,0|2,0,0]=4 8124 B15R0.111 CCCC(C)NCCCCCCNC(=O)C 34a_200011996284_100000766640 [0,2,0,0,0,0|2,0,0]=4 8125 B15R0.111 CCCC(C)NCCCCCCSC(=O)C 270004a_100000704104_100000211909 [0,2,0,0,0,0|2,0,0]=4 8126 B15R0.111 CCC[C@H](N)CCOCCCCCC(=O)N 34a_100015193777_100009817443 [0,2,0,0,0,0|1,0,0]=3 8127 B15R0.111 CCC[C@H](N)CCOCCCCOC(=O)C 34a_100015193777_100000033659 [0,2,0,0,0,0|2,0,0]=4 8128 B15R0.111 CCC[C@H](N)CCOCCCCSC(=O)C 34a_100015193777_200010402107 [0,2,0,0,0,0|2,0,0]=4 8129 B15R0.111 CCC[C@H](N)COCCCCCOC(=O)C 34a_100000732646_100000033007 [0,2,0,0,0,0|2,0,0]=4 8130 B15R0.111 CCOC(=O)CCCCCCCCC(=O)C 1458a_100000070787_100010175975 [0,2,0,0,0,0|1,0,1]=4 8131 B15R0.111 CCOC(=O)CCCCCCCCC(=O)C 1458a_200000016031_200000210301 [0,2,0,0,0,0|1,0,1]=4 8132 B15R0.111 CCOC(=O)CCCCCCCCC(=O)[13CH3] 1458a_200000016031_200025704644 [0,2,0,0,0,0|1,0,1]=4 8133 B15R0.172 CCC(=O)CCCCCCCCC(=O)OC 1458a_100000036616_100000210202 [0,2,0,0,0,0|1,0,1]=4 8134 B15R0.172 CCC(=O)CCCCCCCCC(=O)OC 1458a_100000210414_100010282707 [0,2,0,0,0,0|1,0,1]=4 8135 B15R0.172 CCC(C)CCCCCOCCC(=O)NC 7a_200000035636_100000737683 [0,2,0,0,0,0|2,0,0]=4 8136 B15R0.172 CCC(C)CCCCCOCCC(=O)OC 7a_200000035636_100000204255 [0,2,0,0,0,0|2,0,0]=4 8137 B15R0.172 CCC(C)CCCOCCCCC(=O)OC 7a_100011216074_100000204269 [0,2,0,0,0,0|2,0,0]=4 8138 B15R0.172 CCC(C)CCNCCCCCC(=O)OC 2230a_100020591266_100009816466 [0,2,0,0,0,0|2,0,0]=4 8139 B15R0.172 CCC(C)CCOCCCCCC(=O)OC 7a_100011215188_100009816466 [0,2,0,0,0,0|2,0,0]=4 8140 B15R0.172 CCC(C)CNCCCCCCC(=O)OC 2230a_100020588543_100009815986 [0,2,0,0,0,0|2,0,0]=4 8141 B15R0.172 CCC(C)COCCCCCCC(=O)OC 34a_100009863599_100000748023 [0,2,0,0,0,0|2,0,0]=4 8142 B15R0.172 CCC(C)COCCCCCCC(=O)OC 7a_100009863599_100000748023 [0,2,0,0,0,0|2,0,0]=4 8143 B15R0.172 CCC(C)CSCCCCCCC(=O)OC 62a_100000748023_100009815986 [0,2,0,0,0,0|2,0,0]=4 8144 B15R0.172 CCC(C)CSCCCCCCC(=O)OC 62a_100009815986_100000748023 [0,2,0,0,0,0|2,0,0]=4 8145 B15R0.172 CCC(C)NCCCCCCCC(=O)OC 2230a_100000209981_100010004213 [0,2,0,0,0,0|2,0,0]=4 8146 B15R0.172 CCC(C)OCCCCCCCC(=O)OC 34a_100011022521_100011215416 [0,2,0,0,0,0|2,0,0]=4 8147 B15R0.172 CCC(C)OCCCCCCCC(=O)OC 7a_100000210228_100010004213 [0,2,0,0,0,0|2,0,0]=4 8148 B15R0.172 CCC(C)OCCCCCCCC(=O)OC 7a_100011022521_100000758301 [0,2,0,0,0,0|2,0,0]=4 8149 B15R0.172 CCC(C)SCCCCCCCC(=O)OC 62a_100000758301_100010004213 [0,2,0,0,0,0|2,0,0]=4 8150 B15R0.172 CCC(C)SCCCCCCCC(=O)OC 62a_100010004213_100000758301 [0,2,0,0,0,0|2,0,0]=4 8151 B15R0.172 CCC(O)CNCCCCCCC(=O)OC 2230a_100011218483_100009815986 [0,2,0,0,0,0|2,0,0]=4 8152 B15R0.172 CCC(O)COCCCCCCC(=O)OC 34a_100009863599_100011218378 [0,2,0,0,0,0|2,0,0]=4 8153 B15R0.172 CCC(O)COCCCCCCC(=O)OC 7a_100009863599_100011218378 [0,2,0,0,0,0|2,0,0]=4 8154 B15R0.172 CCC(O)CSCCCCCCC(=O)OC 62a_100009815986_100011218378 [0,2,0,0,0,0|2,0,0]=4 8155 B15R0.172 CCC(O)CSCCCCCCC(=O)OC 62a_100011218378_100009815986 [0,2,0,0,0,0|2,0,0]=4 8156 B15R0.172 CCN(C)CCCCCCCCC(=O)OC 2230a_100000225621_100010282707 [0,2,0,0,0,0|2,0,0]=4 8157 B15R0.172 CCN(C)CCCCCCCCC(=O)OC 269982a_100000225621_100010282707 [0,2,0,0,0,0|2,0,0]=4 8158 B15R0.172 CC[C@H](C)COCCCCCCC(=O)OC 34a_100009863599_100009816398 [0,2,0,0,0,0|2,0,0]=4 8159 B15R0.172 CC[C@H](C)COCCCCCCC(=O)OC 7a_100009816381_100009815986 [0,2,0,0,0,0|2,0,0]=4 8160 B15R0.172 CC[C@H](C)COCCCCCCC(=O)OC 7a_100009863599_100009816398 [0,2,0,0,0,0|2,0,0]=4 8161 B15R0.172 CC[C@H](C)CSCCCCCCC(=O)OC 62a_100009815986_100009816398 [0,2,0,0,0,0|2,0,0]=4 8162 B15R0.172 CC[C@H](C)CSCCCCCCC(=O)OC 62a_100009816398_100009815986 [0,2,0,0,0,0|2,0,0]=4 8163 B15R0.81 C#CC(=O)CCCCCCC#CCCCC 1458a_100000211873_200000043322 [0,2,0,0,0,0|1,0,1]=4 8164 B15R0.81 C#CC(=O)CCCCCCCCCCC=C 1458a_100000211873_100011093070 [0,2,0,0,0,0|1,0,1]=4 8165 B15R0.81 C#CC(=O)CCCCCCCCCCCC 1458a_100000211873_100000759014 [0,2,0,0,0,0|1,0,0]=3 8166 B15R0.81 C#CC(=O)CCCCCCCCCCCO 1458a_100000211873_100009812471 [0,2,0,0,0,0|1,0,0]=3 8167 B15R0.81 C=C(C#N)CNCCCCCCCCCC 2230a_100000684558_100000694840 [0,2,0,0,0,0|2,0,0]=4 8168 B15R0.81 C=C(C#N)CNCCCCCCCCCC 34a_100000684558_100000694840 [0,2,0,0,0,0|2,0,0]=4 8169 B15R0.81 C=C(C#N)COCCCCCCCCCC 34a_100000210711_100000694840 [0,2,0,0,0,0|2,0,0]=4 8170 B15R0.81 C=CC(=O)CCCCCCC#CCCCC 1458a_100000185746_200000043322 [0,2,0,0,0,0|1,0,1]=4 8171 B15R0.81 C=CC(=O)CCCCCCCCCCCO 1458a_100000185746_100009812471 [0,2,0,0,0,0|1,0,0]=3 8172 B15R0.81 C=CC(=O)NCCCCCCCCCCC 1626a_200011215754_100000185746 [0,2,0,0,0,0|1,0,0]=3 8173 B15R0.81 C=CC(=O)NCCCCCCCCCCC 240690a_200011215754_200121576911 [0,2,0,0,0,0|1,0,0]=3 8174 B15R0.81 C=CC(=O)NCCCCCCCCCCO 240690a_100000066964_200121576911 [0,2,0,0,0,0|2,0,0]=4 8175 B15R0.81 C=CC(=O)NCCCCOCCCCCC 34a_100014118770_100000210314 [0,2,0,0,0,0|2,0,0]=4 8176 B15R0.81 C=CC(=O)NCCNCCCCCCCC 2230a_114873766552_100000210759 [0,2,0,0,0,0|2,0,0]=4 8177 B15R0.81 C=CC(=O)NCCOCCCCCCCC 34a_100011304386_100000210759 [0,2,0,0,0,0|2,0,0]=4 8178 B15R0.81 C=CC(=O)OCCCCCCNCCCC 2230a_100000102301_100009894100 [0,2,0,0,0,0|2,0,0]=4 8179 B15R0.81 C=CC(=O)OCCCCCCNCCCC 7a_106832991798_100009894100 [0,2,0,0,0,0|2,0,0]=4 8180 B15R0.81 C=CC(=O)OCCCCCCOCCCC 34a_100000210227_100009894100 [0,2,0,0,0,0|2,0,0]=4 8181 B15R0.81 C=CC(=O)OCCCCCCOCCCC 7a_100000210227_100009894100 [0,2,0,0,0,0|2,0,0]=4 8182 B15R0.81 C=CC(=O)OCCCCCCSCCCC 62a_100000210211_100009894100 [0,2,0,0,0,0|2,0,0]=4 8183 B15R0.81 C=CC(=O)OCCCCCCSCCCC 62a_100009894100_100000210210 [0,2,0,0,0,0|2,0,0]=4 8184 B15R0.81 C=CC(=O)OCCCCCOCCCCC 7a_200011023508_100000210326 [0,2,0,0,0,0|2,0,0]=4 8185 B15R0.81 C=CC(=O)OCCNCCCCCCCC 2230a_100000229939_100009813456 [0,2,0,0,0,0|2,0,0]=4 8186 B15R0.81 C=CC(=O)OCCNCCCCCCCC 34a_100000229939_100009813456 [0,2,0,0,0,0|2,0,0]=4 8187 B15R0.81 C=CC(=O)OCCOCCCCCCCC 34a_100000210232_100009813456 [0,2,0,0,0,0|2,0,0]=4 8188 B15R0.81 C=CC(=O)OCCOCCCCCCCC 7a_100000210232_100009813456 [0,2,0,0,0,0|2,0,0]=4 8189 B15R0.81 C=CC(=O)OCCSCCCCCCCC 62a_100000210759_100009813456 [0,2,0,0,0,0|2,0,0]=4 8190 B15R0.81 C=CC(=O)OCCSCCCCCCCC 62a_100009813456_100000210317 [0,2,0,0,0,0|2,0,0]=4 8191 B15R0.81 C=CCCCCCCCCCCC(=O)C=C 1458a_100000185746_100011093070 [0,2,0,0,0,0|1,0,1]=4 8192 B15R0.81 C=CCCCCCCCCCCC(=O)CO 1458a_100000210174_100011093070 [0,2,0,0,0,0|1,0,1]=4 8193 B15R0.81 CCC(=O)CCCCCCCCCCCO 1458a_100000210414_100009812471 [0,2,0,0,0,0|1,0,0]=3 8194 B15R0.81 CCC(=O)COCCCCCCCCCBr 7a_100009813782_100000747405 [0,2,0,0,0,0|2,0,0]=4 8195 B15R0.81 CCC(=O)COCCCCCCCCCCl 7a_100009868337_100000747405 [0,2,0,0,0,0|2,0,0]=4 8196 B15R0.81 CCC(=O)COCCCCCCCCCO 34a_100000725409_100009813782 [0,2,0,0,0,0|2,0,0]=4 8197 B15R0.81 CCC(=O)CSCCCCCCCCCO 62a_100000747405_100009813782 [0,2,0,0,0,0|2,0,0]=4 8198 B15R0.81 CCC(=O)CSCCCCCCCCCO 62a_100009813782_100000747405 [0,2,0,0,0,0|2,0,0]=4 8199 B15R0.81 CCC(=O)NCCCCCCCCCCO 240690a_100000066964_100000210414 [0,2,0,0,0,0|2,0,0]=4 8200 B15R0.81 CCCCC#CCCCCCCC(=O)CC 1458a_100000210414_200000043322 [0,2,0,0,0,0|1,0,1]=4 8201 B15R0.81 CCCCC#CCCCCCCC(=O)CO 1458a_100000210174_200000043322 [0,2,0,0,0,0|1,0,1]=4 8202 B15R0.81 CCCCCCCCCCC=CC(=O)NC 11a_106832991635_100015291182 [0,2,0,0,0,0|1,0,1]=4 8203 B15R0.81 CCCCCCCCCCC=CC(=O)NC 1626a_100102657272_100015291182 [0,2,0,0,0,0|1,0,1]=4 8204 B15R0.81 CCCCCCCCCCC=CC(=O)NC 240690a_100102657272_100015291182 [0,2,0,0,0,0|1,0,1]=4 8205 B15R0.81 CCCCCCCCCCCCC(=O)CF 1458a_100011215791_100015361967 [0,2,0,0,0,0|0,1,0]=3 8206 B15R0.81 CCCCCCCCCCCCC(=O)CO 1458a_100000210174_100000759014 [0,2,0,0,0,0|1,0,0]=3 8207 B15R0.81 CCCCCCCCCCCCC(=O)NC 11a_106832991635_100011215791 [0,2,0,0,0,0|1,0,0]=3 8208 B15R0.81 CCCCCCCCCCCCC(=O)NC 1626a_100102657272_100011215791 [0,2,0,0,0,0|1,0,0]=3 8209 B15R0.81 CCCCCCCCCCCCC(=O)NC 240690a_100102657272_100011215791 [0,2,0,0,0,0|1,0,0]=3 8210 B15R0.81 CCCCCCCCCCCNC(=O)CC 11a_200011215754_100000210414 [0,2,0,0,0,0|1,0,0]=3 8211 B15R0.81 CCCCCCCCCCCNC(=O)CC 1626a_200011215754_100000210414 [0,2,0,0,0,0|1,0,0]=3 8212 B15R0.81 CCCCCCCCCCCNC(=O)CC 240690a_200011215754_100000210414 [0,2,0,0,0,0|1,0,0]=3 8213 B15R0.81 CCCCCCCCCCCNC(=O)CC 527a_200011215754_100000210414 [0,2,0,0,0,0|1,0,0]=3 8214 B15R0.81 CCCCCCCCCCCNC(=O)CO 240690a_200011215754_100000210174 [0,2,0,0,0,0|1,0,0]=3 8215 B15R0.81 CCCCCCCCCCCNC(=O)CO 527a_200011215754_100000210174 [0,2,0,0,0,0|1,0,0]=3 8216 B15R0.81 CCCCCCCCCCCNC(=O)NC 2708a_100102657272_200011215754 [0,2,0,0,0,0|1,0,0]=3 8217 B15R0.81 CCCCCCCCCCCNC(=O)NC 2708a_200011215754_106832991635 [0,2,0,0,0,0|1,0,0]=3 8218 B15R0.81 CCCCCCCCCCCNC(=O)NC 273464a_100102657272_200011215754 [0,2,0,0,0,0|1,0,0]=3 8219 B15R0.81 CCCCCCCCCCCNC(=O)NC 273464a_200011215754_100102657272 [0,2,0,0,0,0|1,0,0]=3 8220 B15R0.81 CCCCCCCCCCCNC(=O)NC 512a_106832991638_200011215754 [0,2,0,0,0,0|1,0,0]=3 8221 B15R0.81 CCCCCCCCCCCNC(=O)NC 512a_200011215754_100102657272 [0,2,0,0,0,0|1,0,0]=3 8222 B15R0.81 CCCCCCCCCCNCC(=O)NC 2230a_100000684558_100000183359 [0,2,0,0,0,0|1,0,0]=3 8223 B15R0.81 CCCCCCCCCCNCC(=O)NC 2230a_100000693194_100000210320 [0,2,0,0,0,0|1,0,0]=3 8224 B15R0.81 CCCCCCCCCCNCC(=O)NC 34a_100000684558_100000183359 [0,2,0,0,0,0|1,0,0]=3 8225 B15R0.81 CCCCCCCCCCNCC(=O)OC 2230a_100000684558_100000747449 [0,2,0,0,0,0|1,0,0]=3 8226 B15R0.81 CCCCCCCCCCNCC(=O)OC 34a_100000684558_100000747449 [0,2,0,0,0,0|1,0,0]=3 8227 B15R0.81 CCCCCCCCCCOCC(=O)CC 34a_100000725409_100000210320 [0,2,0,0,0,0|1,0,0]=3 8228 B15R0.81 CCCCCCCCCCOCC(=O)CC 7a_100000210711_100000747405 [0,2,0,0,0,0|1,0,0]=3 8229 B15R0.81 CCCCCCCCCCOCC(=O)NC 34a_100000210711_100000183359 [0,2,0,0,0,0|1,0,0]=3 8230 B15R0.81 CCCCCCCCCCOCC(=O)NC 34a_100000750040_100000210320 [0,2,0,0,0,0|1,0,0]=3 8231 B15R0.81 CCCCCCCCCCOCC(=O)NC 7a_100000210711_100000183359 [0,2,0,0,0,0|1,0,0]=3 8232 B15R0.81 CCCCCCCCCCOCC(=O)OC 34a_100000210711_100000747449 [0,2,0,0,0,0|1,0,0]=3 8233 B15R0.81 CCCCCCCCCCOCC(=O)OC 7a_100000210711_100000747449 [0,2,0,0,0,0|1,0,0]=3 8234 B15R0.81 CCCCCCCCCCOCC(Cl)CCl 34a_100000033668_100000210320 [0,2,0,0,0,0|1,0,1]=4 8235 B15R0.81 CCCCCCCCCCSCC(=O)CC 62a_100000747405_100000210320 [0,2,0,0,0,0|1,0,0]=3 8236 B15R0.81 CCCCCCCCCCSCC(=O)NC 62a_100000183359_100000210320 [0,2,0,0,0,0|1,0,0]=3 8237 B15R0.81 CCCCCCCCCCSCC(=O)OC 62a_100000747449_100000210320 [0,2,0,0,0,0|1,0,0]=3 8238 B15R0.81 CCCCCCCCCNCCC(=O)NC 2230a_100000212291_100000737683 [0,2,0,0,0,0|1,0,0]=3 8239 B15R0.81 CCCCCCCCCNCCC(=O)NC 2230a_100000738227_100011214924 [0,2,0,0,0,0|1,0,0]=3 8240 B15R0.81 CCCCCCCCCNCCC(=O)NC 34a_100000212291_100012179268 [0,2,0,0,0,0|1,0,0]=3 8241 B15R0.81 CCCCCCCCCNCCC(=O)NC 34a_100000738227_100011214924 [0,2,0,0,0,0|1,0,0]=3 8242 B15R0.81 CCCCCCCCCNCCC(=O)OC 2230a_100000212291_100000204255 [0,2,0,0,0,0|1,0,0]=3 8243 B15R0.81 CCCCCCCCCNCCC(=O)OC 34a_100000212291_100000742370 [0,2,0,0,0,0|1,0,0]=3 8244 B15R0.81 CCCCCCCCCOCCC(=NO)N 34a_100000749954_100011214924 [0,2,0,0,0,0|1,0,1]=4 8245 B15R0.81 CCCCCCCCCOCCC(=O)NC 34a_100000210712_100012179268 [0,2,0,0,0,0|1,0,0]=3 8246 B15R0.81 CCCCCCCCCOCCC(=O)NC 34a_100000754576_100011214924 [0,2,0,0,0,0|1,0,0]=3 8247 B15R0.81 CCCCCCCCCOCCC(=O)NC 7a_100000210712_100000737683 [0,2,0,0,0,0|1,0,0]=3 8248 B15R0.81 CCCCCCCCCOCCC(=O)OC 34a_100000210712_100000742370 [0,2,0,0,0,0|1,0,0]=3 8249 B15R0.81 CCCCCCCCCOCCC(=O)OC 7a_100000210712_100000204255 [0,2,0,0,0,0|1,0,0]=3 8250 B15R0.81 CCCCCCCCCSCCC(=O)NC 62a_100000737683_100000210670 [0,2,0,0,0,0|1,0,0]=3 8251 B15R0.81 CCCCCCCCCSCCC(=O)OC 62a_100000204255_100000210670 [0,2,0,0,0,0|1,0,0]=3 8252 B15R0.81 CCCCCCCCNCCCC(=O)NC 2230a_100000229939_100000741757 [0,2,0,0,0,0|1,0,0]=3 8253 B15R0.81 CCCCCCCCNCCCC(=O)NC 2230a_100000740002_100000210759 [0,2,0,0,0,0|1,0,0]=3 8254 B15R0.81 CCCCCCCCNCCCC(=O)NC 34a_100000229939_100000741757 [0,2,0,0,0,0|1,0,0]=3 8255 B15R0.81 CCCCCCCCNCCCC(=O)NC 34a_100000740002_100000210759 [0,2,0,0,0,0|1,0,0]=3 8256 B15R0.81 CCCCCCCCNCCCC(=O)OC 2230a_100000229939_100011218270 [0,2,0,0,0,0|1,0,0]=3 8257 B15R0.81 CCCCCCCCNCCCC(=O)OC 34a_100000229939_100000742333 [0,2,0,0,0,0|1,0,0]=3 8258 B15R0.81 CCCCCCCCNCCNC(=O)CC 34a_100132302217_100000210759 [0,2,0,0,0,0|2,0,0]=4 8259 B15R0.81 CCCCCCCCNCCNC(=O)NC 34a_100015205895_100000210759 [0,2,0,0,0,0|2,0,0]=4 8260 B15R0.81 CCCCCCCCNCCOC(=O)NC 34a_100000229939_200011997002 [0,2,0,0,0,0|2,0,0]=4 8261 B15R0.81 CCCCCCCCOCCCC(=O)NC 34a_100000210232_100000741757 [0,2,0,0,0,0|1,0,0]=3 8262 B15R0.81 CCCCCCCCOCCCC(=O)NC 7a_100000210232_100000741757 [0,2,0,0,0,0|1,0,0]=3 8263 B15R0.81 CCCCCCCCOCCCC(=O)NN 34a_100000211488_100000210759 [0,2,0,0,0,0|1,0,0]=3 8264 B15R0.81 CCCCCCCCOCCCC(=O)OC 34a_100000210232_100000742333 [0,2,0,0,0,0|1,0,0]=3 8265 B15R0.81 CCCCCCCCOCCCC(=O)OC 7a_100000210232_100011218270 [0,2,0,0,0,0|1,0,0]=3 8266 B15R0.81 CCCCCCCCOCCNC(=O)CC 34a_200000158885_100000210759 [0,2,0,0,0,0|2,0,0]=4 8267 B15R0.81 CCCCCCCCOCCNC(=O)CC 7a_200000158885_100000210759 [0,2,0,0,0,0|2,0,0]=4 8268 B15R0.81 CCCCCCCCOCCNC(=O)OC 34a_100000757965_100000210759 [0,2,0,0,0,0|2,0,0]=4 8269 B15R0.81 CCCCCCCCOCCOC(=O)CC 7a_200000031056_100000210759 [0,2,0,0,0,0|2,0,0]=4 8270 B15R0.81 CCCCCCCCOCCOC(=O)NC 34a_100000210232_200011997002 [0,2,0,0,0,0|2,0,0]=4 8271 B15R0.81 CCCCCCCCOCCOC(=O)NC 7a_100000210232_200011997002 [0,2,0,0,0,0|2,0,0]=4 8272 B15R0.81 CCCCCCCCOCCOC(=O)OC 34a_100010262106_100000210759 [0,2,0,0,0,0|2,0,0]=4 8273 B15R0.81 CCCCCCCCSCCCC(=O)NC 62a_100000210759_100000741757 [0,2,0,0,0,0|1,0,0]=3 8274 B15R0.81 CCCCCCCCSCCCC(=O)NC 62a_100000741757_100000210317 [0,2,0,0,0,0|1,0,0]=3 8275 B15R0.81 CCCCCCCCSCCCC(=O)OC 62a_100000210759_100011218270 [0,2,0,0,0,0|1,0,0]=3 8276 B15R0.81 CCCCCCCCSCCCC(=O)OC 62a_100011218270_100000210317 [0,2,0,0,0,0|1,0,0]=3 8277 B15R0.81 CCCCCCCCSCCOC(=O)NC 62a_100000210759_200011997002 [0,2,0,0,0,0|2,0,0]=4 8278 B15R0.81 CCCCCCCCSCCOC(=O)NC 62a_200011997002_100000210317 [0,2,0,0,0,0|2,0,0]=4 8279 B15R0.81 CCCCCCCNCCCCC(=O)OC 2230a_100000229938_100000204269 [0,2,0,0,0,0|1,0,0]=3 8280 B15R0.81 CCCCCCCNCCOCC(=O)OC 2230a_100000229938_100000090808 [0,2,0,0,0,0|2,0,0]=4 8281 B15R0.81 CCCCCCCOCCCCC(=O)OC 34a_100000059025_100000210614 [0,2,0,0,0,0|1,0,0]=3 8282 B15R0.81 CCCCCCCOCCCCC(=O)OC 34a_100000210272_100000204269 [0,2,0,0,0,0|1,0,0]=3 8283 B15R0.81 CCCCCCCOCCCCC(=O)OC 7a_100000059025_100000210614 [0,2,0,0,0,0|1,0,0]=3 8284 B15R0.81 CCCCCCCOCCCCC(=O)OC 7a_100000210272_100000204269 [0,2,0,0,0,0|1,0,0]=3 8285 B15R0.81 CCCCCCCOCCOCC(=O)OC 34a_100000210272_100000090808 [0,2,0,0,0,0|2,0,0]=4 8286 B15R0.81 CCCCCCCOCCOCC(=O)OC 7a_100000210272_100000090808 [0,2,0,0,0,0|2,0,0]=4 8287 B15R0.81 CCCCCCCSCCCCC(=O)OC 62a_100000204269_100000210316 [0,2,0,0,0,0|1,0,0]=3 8288 B15R0.81 CCCCCCCSCCCCC(=O)OC 62a_100000210614_100000204269 [0,2,0,0,0,0|1,0,0]=3 8289 B15R0.81 CCCCCCCSCCOCC(=O)OC 62a_100000090808_100000210316 [0,2,0,0,0,0|2,0,0]=4 8290 B15R0.81 CCCCCCCSCCOCC(=O)OC 62a_100000210614_100000090808 [0,2,0,0,0,0|2,0,0]=4 8291 B15R0.81 CCCCCCNCCCCCC(=O)OC 2230a_100000210581_100009816466 [0,2,0,0,0,0|1,0,0]=3 8292 B15R0.81 CCCCCCOCCCCCC(=O)OC 34a_100000074720_100000210314 [0,2,0,0,0,0|1,0,0]=3 8293 B15R0.81 CCCCCCOCCCCCC(=O)OC 34a_100000210259_100009816466 [0,2,0,0,0,0|1,0,0]=3 8294 B15R0.81 CCCCCCOCCCCCC(=O)OC 7a_100000074720_100000210314 [0,2,0,0,0,0|1,0,0]=3 8295 B15R0.81 CCCCCCOCCCCCC(=O)OC 7a_100000210259_100009816466 [0,2,0,0,0,0|1,0,0]=3 8296 B15R0.81 CCCCCCOCCOCCC(=O)NC 34a_100000691444_100012179268 [0,2,0,0,0,0|2,0,0]=4 8297 B15R0.81 CCCCCCOCCOCCC(=O)NC 7a_100000691444_100000737683 [0,2,0,0,0,0|2,0,0]=4 8298 B15R0.81 CCCCCCOCCOCCC(=O)OC 34a_100000691444_100000742370 [0,2,0,0,0,0|2,0,0]=4 8299 B15R0.81 CCCCCCOCCOCCC(=O)OC 7a_100000691444_100000204255 [0,2,0,0,0,0|2,0,0]=4 8300 B15R0.81 CCCCCCSCCCCCC(=O)OC 62a_100000210314_100009816466 [0,2,0,0,0,0|1,0,0]=3 8301 B15R0.81 CCCCCCSCCCCCC(=O)OC 62a_100009816466_100000210757 [0,2,0,0,0,0|1,0,0]=3 8302 B15R0.81 CCCCCNCCCCCCC(=O)OC 2230a_100000209983_100009815986 [0,2,0,0,0,0|1,0,0]=3 8303 B15R0.81 CCCCCNCCOCCCC(=O)NC 34a_100000224656_100000741757 [0,2,0,0,0,0|2,0,0]=4 8304 B15R0.81 CCCCCNCCOCCCC(=O)OC 34a_100000224656_100000742333 [0,2,0,0,0,0|2,0,0]=4 8305 B15R0.81 CCCCCOCCCCCCC(=O)OC 34a_100000210253_100009815986 [0,2,0,0,0,0|1,0,0]=3 8306 B15R0.81 CCCCCOCCCCCCC(=O)OC 34a_100009863599_100000718602 [0,2,0,0,0,0|1,0,0]=3 8307 B15R0.81 CCCCCOCCCCCCC(=O)OC 7a_100000210253_100009815986 [0,2,0,0,0,0|1,0,0]=3 8308 B15R0.81 CCCCCOCCCCCCC(=O)OC 7a_100009863599_100000210326 [0,2,0,0,0,0|1,0,0]=3 8309 B15R0.81 CCCCCOCCOCCCC(=O)NC 34a_100011215259_100000741757 [0,2,0,0,0,0|2,0,0]=4 8310 B15R0.81 CCCCCOCCOCCCC(=O)NC 7a_100011215259_100000741757 [0,2,0,0,0,0|2,0,0]=4 8311 B15R0.81 CCCCCOCCOCCCC(=O)OC 34a_100011215259_100000742333 [0,2,0,0,0,0|2,0,0]=4 8312 B15R0.81 CCCCCOCCOCCCC(=O)OC 7a_100011215259_100011218270 [0,2,0,0,0,0|2,0,0]=4 8313 B15R0.81 CCCCCSCCCCCCC(=O)OC 62a_100000210326_100009815986 [0,2,0,0,0,0|1,0,0]=3 8314 B15R0.81 CCCCCSCCCCCCC(=O)OC 62a_100009815986_100000210326 [0,2,0,0,0,0|1,0,0]=3 8315 B15R0.81 CCCCNCCCCCCCC(=O)OC 2230a_100000102301_100010004213 [0,2,0,0,0,0|1,0,0]=3 8316 B15R0.81 CCCCNCCCCCCCC(=O)OC 7a_106832991798_100010004213 [0,2,0,0,0,0|1,0,0]=3 8317 B15R0.81 CCCCNCCCCOCCC(=O)NC 34a_200011216965_100012179268 [0,2,0,0,0,0|2,0,0]=4 8318 B15R0.81 CCCCNCCCCOCCC(=O)OC 34a_200011216965_100000742370 [0,2,0,0,0,0|2,0,0]=4 8319 B15R0.81 CCCCOCCCCCCCC(=O)OC 34a_100000210227_100010004213 [0,2,0,0,0,0|1,0,0]=3 8320 B15R0.81 CCCCOCCCCCCCC(=O)OC 34a_100011022521_100000210210 [0,2,0,0,0,0|1,0,0]=3 8321 B15R0.81 CCCCOCCCCCCCC(=O)OC 7a_100000210227_100010004213 [0,2,0,0,0,0|1,0,0]=3 8322 B15R0.81 CCCCOCCCCCCCC(=O)OC 7a_100011022521_100000210211 [0,2,0,0,0,0|1,0,0]=3 8323 B15R0.81 CCCCOCCCCOCCC(=O)NC 34a_200000760531_100012179268 [0,2,0,0,0,0|2,0,0]=4 8324 B15R0.81 CCCCOCCCCOCCC(=O)NC 7a_200000760531_100000737683 [0,2,0,0,0,0|2,0,0]=4 8325 B15R0.81 CCCCOCCCCOCCC(=O)OC 34a_200000760531_100000742370 [0,2,0,0,0,0|2,0,0]=4 8326 B15R0.81 CCCCOCCCCOCCC(=O)OC 7a_200000760531_100000204255 [0,2,0,0,0,0|2,0,0]=4 8327 B15R0.81 CCCCOCCCNCCCC(=O)NC 2230a_200000211371_100000741757 [0,2,0,0,0,0|2,0,0]=4 8328 B15R0.81 CCCCOCCCNCCCC(=O)NC 34a_200000211371_100000741757 [0,2,0,0,0,0|2,0,0]=4 8329 B15R0.81 CCCCOCCCNCCCC(=O)OC 2230a_200000211371_100011218270 [0,2,0,0,0,0|2,0,0]=4 8330 B15R0.81 CCCCOCCCNCCCC(=O)OC 34a_200000211371_100000742333 [0,2,0,0,0,0|2,0,0]=4 8331 B15R0.81 CCCCOCCCOCCCC(=O)NC 34a_200011215613_100000741757 [0,2,0,0,0,0|2,0,0]=4 8332 B15R0.81 CCCCOCCCOCCCC(=O)NC 7a_200011215613_100000741757 [0,2,0,0,0,0|2,0,0]=4 8333 B15R0.81 CCCCOCCCOCCCC(=O)OC 34a_200011215613_100000742333 [0,2,0,0,0,0|2,0,0]=4 8334 B15R0.81 CCCCOCCCOCCCC(=O)OC 7a_200011215613_100011218270 [0,2,0,0,0,0|2,0,0]=4 8335 B15R0.81 CCCCOCCOCCCCC(=O)OC 34a_100000059025_100000743108 [0,2,0,0,0,0|2,0,0]=4 8336 B15R0.81 CCCCOCCOCCCCC(=O)OC 34a_100000210238_100000204269 [0,2,0,0,0,0|2,0,0]=4 8337 B15R0.81 CCCCOCCOCCCCC(=O)OC 7a_100000059025_100000743108 [0,2,0,0,0,0|2,0,0]=4 8338 B15R0.81 CCCCOCCOCCCCC(=O)OC 7a_100000210238_100000204269 [0,2,0,0,0,0|2,0,0]=4 8339 B15R0.81 CCCCOCCSCCCCC(=O)OC 62a_100000204269_100000743108 [0,2,0,0,0,0|2,0,0]=4 8340 B15R0.81 CCCCOCCSCCCCC(=O)OC 62a_100000743108_100000204269 [0,2,0,0,0,0|2,0,0]=4 8341 B15R0.81 CCCCOCOCCCCCC(=O)OC 34a_100000074720_100011995733 [0,2,0,0,0,0|2,0,0]=4 8342 B15R0.81 CCCCOCSCCCCCC(=O)OC 62a_100009816466_100011995733 [0,2,0,0,0,0|2,0,0]=4 8343 B15R0.81 CCCCOCSCCCCCC(=O)OC 62a_100011995733_100009816466 [0,2,0,0,0,0|2,0,0]=4 8344 B15R0.81 CCCCSCCCCCCCC(=O)OC 62a_100000210211_100010004213 [0,2,0,0,0,0|1,0,0]=3 8345 B15R0.81 CCCCSCCCCCCCC(=O)OC 62a_100010004213_100000210210 [0,2,0,0,0,0|1,0,0]=3 8346 B15R0.81 CCCCSCCNCCCCC(=O)OC 2230a_100025743550_100000204269 [0,2,0,0,0,0|2,0,0]=4 8347 B15R0.81 CCCCSCCOCCCCC(=O)OC 34a_200000230436_100000204269 [0,2,0,0,0,0|2,0,0]=4 8348 B15R0.81 CCCCSCCOCCCCC(=O)OC 7a_200000230436_100000204269 [0,2,0,0,0,0|2,0,0]=4 8349 B15R0.81 CCCOCCCCCCCCC(=O)OC 34a_100000035544_100000210303 [0,2,0,0,0,0|1,0,0]=3 8350 B15R0.81 CCCOCCCCCCCCC(=O)OC 34a_100000210258_100010282707 [0,2,0,0,0,0|1,0,0]=3 8351 B15R0.81 CCCOCCCCCCCCC(=O)OC 7a_100000035544_100000210303 [0,2,0,0,0,0|1,0,0]=3 8352 B15R0.81 CCCOCCCNCCCCC(=O)OC 2230a_100011217757_100000204269 [0,2,0,0,0,0|2,0,0]=4 8353 B15R0.81 CCCOCCCNCCCCC(=O)OC 34a_100011217757_100000204269 [0,2,0,0,0,0|2,0,0]=4 8354 B15R0.81 CCCOCCNCCCCCC(=O)OC 2230a_100161115042_100009816466 [0,2,0,0,0,0|2,0,0]=4 8355 B15R0.81 CCCOCCNCCCCCC(=O)OC 34a_100161115042_100009816466 [0,2,0,0,0,0|2,0,0]=4 8356 B15R0.81 CCCOCCOCCCCCC(=O)OC 34a_100000074720_100011215938 [0,2,0,0,0,0|2,0,0]=4 8357 B15R0.81 CCCOCCOCCCCCC(=O)OC 34a_100000752267_100009816466 [0,2,0,0,0,0|2,0,0]=4 8358 B15R0.81 CCCOCCOCCCCCC(=O)OC 7a_100000074720_100011215938 [0,2,0,0,0,0|2,0,0]=4 8359 B15R0.81 CCCOCCOCCCCCC(=O)OC 7a_100000752267_100009816466 [0,2,0,0,0,0|2,0,0]=4 8360 B15R0.81 CCCOCCSCCCCCC(=O)OC 62a_100009816466_100011215938 [0,2,0,0,0,0|2,0,0]=4 8361 B15R0.81 CCCOCCSCCCCCC(=O)OC 62a_100011215938_100009816466 [0,2,0,0,0,0|2,0,0]=4 8362 B15R0.81 CCCSCCCCCCCCC(=O)OC 62a_100000210303_100010282707 [0,2,0,0,0,0|1,0,0]=3 8363 B15R0.81 CCCSCCCCCCCCC(=O)OC 62a_100010282707_100000210303 [0,2,0,0,0,0|1,0,0]=3 8364 B15R0.81 CCCSCCNCCCCCC(=O)OC 2230a_100020603323_100009816466 [0,2,0,0,0,0|2,0,0]=4 8365 B15R0.81 CCCSCCOCCCCCC(=O)OC 34a_200000230433_100009816466 [0,2,0,0,0,0|2,0,0]=4 8366 B15R0.81 CCCSCCOCCCCCC(=O)OC 7a_200000230433_100009816466 [0,2,0,0,0,0|2,0,0]=4 8367 B15R0.81 CCNCCCCCCCCCC(=O)OC 2230a_100015525214_100009813843 [0,2,0,0,0,0|1,0,0]=3 8368 B15R0.81 CCOCCCCCCCCCC(=O)OC 34a_100121572206_100009813843 [0,2,0,0,0,0|1,0,0]=3 8369 B15R0.81 CCOCCCNCCCCCC(=O)OC 2230a_100000210961_100009816466 [0,2,0,0,0,0|2,0,0]=4 8370 B15R0.81 CCOCCCNCCCCCC(=O)OC 34a_100000210961_100009816466 [0,2,0,0,0,0|2,0,0]=4 8371 B15R0.81 CCOCCCOCCCCCC(=O)OC 34a_100000074720_100012232248 [0,2,0,0,0,0|2,0,0]=4 8372 B15R0.81 CCOCCCOCCCCCC(=O)OC 34a_100000757476_100009816466 [0,2,0,0,0,0|2,0,0]=4 8373 B15R0.81 CCOCCCOCCCCCC(=O)OC 7a_100000074720_100012232248 [0,2,0,0,0,0|2,0,0]=4 8374 B15R0.81 CCOCCCOCCCCCC(=O)OC 7a_100000757476_100009816466 [0,2,0,0,0,0|2,0,0]=4 8375 B15R0.81 CCOCCCSCCCCCC(=O)OC 62a_100009816466_100012232248 [0,2,0,0,0,0|2,0,0]=4 8376 B15R0.81 CCOCCCSCCCCCC(=O)OC 62a_100012232248_100009816466 [0,2,0,0,0,0|2,0,0]=4 8377 B15R0.81 CCOCCNCCCCCCC(=O)OC 2230a_102516460346_100009815986 [0,2,0,0,0,0|2,0,0]=4 8378 B15R0.81 CCOCCNCCCCCCC(=O)OC 34a_102516460346_100009815986 [0,2,0,0,0,0|2,0,0]=4 8379 B15R0.81 CCOCCOCCCCCCC(=O)OC 34a_100000210136_100009815986 [0,2,0,0,0,0|2,0,0]=4 8380 B15R0.81 CCOCCOCCCCCCC(=O)OC 34a_100009863599_100000210147 [0,2,0,0,0,0|2,0,0]=4 8381 B15R0.81 CCOCCOCCCCCCC(=O)OC 7a_100000210136_100009815986 [0,2,0,0,0,0|2,0,0]=4 8382 B15R0.81 CCOCCOCCCCCCC(=O)OC 7a_100009863599_100011215890 [0,2,0,0,0,0|2,0,0]=4 8383 B15R0.81 CCOCCSCCCCCCC(=O)OC 62a_100000210147_100009815986 [0,2,0,0,0,0|2,0,0]=4 8384 B15R0.81 CCOCCSCCCCCCC(=O)OC 62a_100009815986_100011215890 [0,2,0,0,0,0|2,0,0]=4 8385 B15R0.81 CCOCSCCCCCCCC(=O)OC 62a_100000739092_100010004213 [0,2,0,0,0,0|2,0,0]=4 8386 B15R0.81 CCOCSCCCCCCCC(=O)OC 62a_100010004213_100000739092 [0,2,0,0,0,0|2,0,0]=4 8387 B15R0.81 CCSCCCCCCCCCC(=O)OC 62a_100000210202_100009813843 [0,2,0,0,0,0|1,0,0]=3 8388 B15R0.81 CCSCCCOCCCCCC(=O)OC 34a_100011216438_100009816466 [0,2,0,0,0,0|2,0,0]=4 8389 B15R0.81 CCSCCCOCCCCCC(=O)OC 7a_100011216438_100009816466 [0,2,0,0,0,0|2,0,0]=4 8390 B15R0.81 CCSCCNCCCCCCC(=O)OC 2230a_100000106463_100009815986 [0,2,0,0,0,0|2,0,0]=4 8391 B15R0.81 CCSCCOCCCCCCC(=O)OC 34a_100000212035_100009815986 [0,2,0,0,0,0|2,0,0]=4 8392 B15R0.81 CCSCCOCCCCCCC(=O)OC 34a_100009863599_100000757381 [0,2,0,0,0,0|2,0,0]=4 8393 B15R0.81 CCSCCOCCCCCCC(=O)OC 7a_100000212035_100009815986 [0,2,0,0,0,0|2,0,0]=4 8394 B15R0.81 CCSCCOCCCCCCC(=O)OC 7a_100009863599_100000757381 [0,2,0,0,0,0|2,0,0]=4 8395 B15R0.81 CCSCCSCCCCCCC(=O)OC 62a_100000757381_100009815986 [0,2,0,0,0,0|2,0,0]=4 8396 B15R0.81 CCSCCSCCCCCCC(=O)OC 62a_100009815986_100000757381 [0,2,0,0,0,0|2,0,0]=4 8397 B15R0.81 CNC(=O)CCCCCCCCCCCO 240690a_100102657272_100000037981 [0,2,0,0,0,0|1,0,0]=3 8398 B15R0.81 CNC(=O)CCCNCCCCCCCO 2230a_100000740002_100000760002 [0,2,0,0,0,0|2,0,0]=4 8399 B15R0.81 CNC(=O)CCCNCCCCCCCO 2230a_100011996573_100000741757 [0,2,0,0,0,0|2,0,0]=4 8400 B15R0.81 CNC(=O)CCCNCCCCCCCO 34a_100000740002_100000760002 [0,2,0,0,0,0|2,0,0]=4 8401 B15R0.81 CNC(=O)CCCNCCCCCCCO 34a_100011996573_100000741757 [0,2,0,0,0,0|2,0,0]=4 8402 B15R0.81 CNC(=O)CCCNCCCCCCOC 2230a_100000740002_100011998445 [0,2,0,0,0,0|2,0,0]=4 8403 B15R0.81 CNC(=O)CCCNCCCCCCOC 34a_100000740002_100011998445 [0,2,0,0,0,0|2,0,0]=4 8404 B15R0.81 CNC(=O)CCCOCCCCCCCBr 34a_100000760002_100000741757 [0,2,0,0,0,0|2,0,0]=4 8405 B15R0.81 CNC(=O)CCCOCCCCCCCBr 7a_100000760002_100000741757 [0,2,0,0,0,0|2,0,0]=4 8406 B15R0.81 CNC(=O)CCCOCCCCCCCN 34a_100011996573_100000741757 [0,2,0,0,0,0|2,0,0]=4 8407 B15R0.81 CNC(=O)CCCOCCCCCCOC 34a_200012092642_100000741757 [0,2,0,0,0,0|2,0,0]=4 8408 B15R0.81 CNC(=O)CCCOCCCCCCOC 7a_200012092642_100000741757 [0,2,0,0,0,0|2,0,0]=4 8409 B15R0.81 CNC(=O)CCCSCCCCCCCO 62a_100000741757_100000760002 [0,2,0,0,0,0|2,0,0]=4 8410 B15R0.81 CNC(=O)CCCSCCCCCCCO 62a_100000760002_100000741757 [0,2,0,0,0,0|2,0,0]=4 8411 B15R0.81 CNC(=O)CCCSCCCCCCOC 62a_100000741757_100011998445 [0,2,0,0,0,0|2,0,0]=4 8412 B15R0.81 CNC(=O)CCCSCCCCCCOC 62a_100011998445_100000741757 [0,2,0,0,0,0|2,0,0]=4 8413 B15R0.81 CNC(=O)CCNCCCCCCCCO 2230a_100000738227_100000033203 [0,2,0,0,0,0|2,0,0]=4 8414 B15R0.81 CNC(=O)CCNCCCCCCCCO 2230a_102515433106_100000737683 [0,2,0,0,0,0|2,0,0]=4 8415 B15R0.81 CNC(=O)CCNCCCCCCCCO 34a_100000738227_100000033203 [0,2,0,0,0,0|2,0,0]=4 8416 B15R0.81 CNC(=O)CCNCCCCCCCCO 34a_102515433106_100012179268 [0,2,0,0,0,0|2,0,0]=4 8417 B15R0.81 CNC(=O)CCOCCCCCCCCBr 34a_100009813846_100012179268 [0,2,0,0,0,0|2,0,0]=4 8418 B15R0.81 CNC(=O)CCOCCCCCCCCBr 7a_100009813846_100000737683 [0,2,0,0,0,0|2,0,0]=4 8419 B15R0.81 CNC(=O)CCOCCCCCCCCCl 34a_100000033203_100012179268 [0,2,0,0,0,0|2,0,0]=4 8420 B15R0.81 CNC(=O)CCOCCCCCCCCCl 7a_100000033203_100000737683 [0,2,0,0,0,0|2,0,0]=4 8421 B15R0.81 CNC(=O)CCOCCCCCCCCN 34a_102515433106_100012179268 [0,2,0,0,0,0|2,0,0]=4 8422 B15R0.81 CNC(=O)CCOCCCCCCCCO 34a_100000754576_100000033203 [0,2,0,0,0,0|2,0,0]=4 8423 B15R0.81 CNC(=O)CCSCCCCCCCCO 62a_100000033203_100000737683 [0,2,0,0,0,0|2,0,0]=4 8424 B15R0.81 CNC(=O)CCSCCCCCCCCO 62a_100000737683_100000033203 [0,2,0,0,0,0|2,0,0]=4 8425 B15R0.81 CNC(=O)CNCCCCCCCCCO 2230a_100000078944_100000183359 [0,2,0,0,0,0|2,0,0]=4 8426 B15R0.81 CNC(=O)CNCCCCCCCCCO 2230a_100000693194_100009813782 [0,2,0,0,0,0|2,0,0]=4 8427 B15R0.81 CNC(=O)CNCCCCCCCCCO 34a_100000078944_100000183359 [0,2,0,0,0,0|2,0,0]=4 8428 B15R0.81 CNC(=O)COCCCCCCCCCBr 34a_100009813782_100000183359 [0,2,0,0,0,0|2,0,0]=4 8429 B15R0.81 CNC(=O)COCCCCCCCCCBr 7a_100009813782_100000183359 [0,2,0,0,0,0|2,0,0]=4 8430 B15R0.81 CNC(=O)COCCCCCCCCCCl 34a_100009868337_100000183359 [0,2,0,0,0,0|2,0,0]=4 8431 B15R0.81 CNC(=O)COCCCCCCCCCCl 7a_100009868337_100000183359 [0,2,0,0,0,0|2,0,0]=4 8432 B15R0.81 CNC(=O)COCCCCCCCCCN 34a_100000078944_100000183359 [0,2,0,0,0,0|2,0,0]=4 8433 B15R0.81 CNC(=O)COCCCCCCCCCO 34a_100000750040_100009813782 [0,2,0,0,0,0|2,0,0]=4 8434 B15R0.81 CNC(=O)CSCCCCCCCCCO 62a_100000183359_100009813782 [0,2,0,0,0,0|2,0,0]=4 8435 B15R0.81 CNC(=O)CSCCCCCCCCCO 62a_100009813782_100000183359 [0,2,0,0,0,0|2,0,0]=4 8436 B15R0.81 CNC(=O)NCCCCCCCCCCO 2708a_100000066964_106832991635 [0,2,0,0,0,0|2,0,0]=4 8437 B15R0.81 CNC(=O)NCCCCCCCCCCO 2708a_100102657272_100000066964 [0,2,0,0,0,0|2,0,0]=4 8438 B15R0.81 CNC(=O)NCCCCCCCCCCO 273464a_100000066964_100102657272 [0,2,0,0,0,0|2,0,0]=4 8439 B15R0.81 CNC(=O)NCCCCCCCCCCO 273464a_100102657272_100000066964 [0,2,0,0,0,0|2,0,0]=4 8440 B15R0.81 CNC(=O)NCCCCCCCCCCO 512a_100000066964_100102657272 [0,2,0,0,0,0|2,0,0]=4 8441 B15R0.81 CNC(=O)NCCCCCCCCCCO 512a_106832991638_100000066964 [0,2,0,0,0,0|2,0,0]=4 8442 B15R0.81 CNCCCCCCCCCCC(=O)OC 2230a_106832991635_100009812566 [0,2,0,0,0,0|1,0,0]=3 8443 B15R0.81 CNCCCCCCCCCCC(=O)OC 34a_100102657272_100009812566 [0,2,0,0,0,0|1,0,0]=3 8444 B15R0.81 CNCCCCCCCCCCC(=O)OC 7a_106832991635_100009812566 [0,2,0,0,0,0|1,0,0]=3 8445 B15R0.81 CNCCCCCOCCCCC(=O)OC 34a_100000722520_100000204269 [0,2,0,0,0,0|2,0,0]=4 8446 B15R0.81 CNCCCOCCCCCCC(=O)OC 34a_100000213112_100009815986 [0,2,0,0,0,0|2,0,0]=4 8447 B15R0.81 COC(=O)CCCCCCCCCCO[13CH3] 34a_100011003013_200025704644 [0,2,0,0,0,0|1,0,0]=3 8448 B15R0.81 COC(=O)CCCCCCCCCCO[13CH3] 7a_100011003013_200025704644 [0,2,0,0,0,0|1,0,0]=3 8449 B15R0.81 COC(=O)CCCCCCCCCCSC 62a_200000210301_100009812566 [0,2,0,0,0,0|1,0,0]=3 8450 B15R0.81 COC(=O)CCCCCCCCCCS[13CH3] 62a_200025704644_100009812566 [0,2,0,0,0,0|1,0,0]=3 8451 B15R0.81 COC(=O)CCCCCCCCCSCF 62a_100015361967_100009813843 [0,2,0,0,0,0|2,0,0]=4 8452 B15R0.81 COC(=O)CCCCCCCCNCCF 34a_100000724931_100010282707 [0,2,0,0,0,0|2,0,0]=4 8453 B15R0.81 COC(=O)CCCCCCCCNCCO 2230a_100016997473_100010282707 [0,2,0,0,0,0|2,0,0]=4 8454 B15R0.81 COC(=O)CCCCCCCCNCCO 34a_100016990907_100010282707 [0,2,0,0,0,0|2,0,0]=4 8455 B15R0.81 COC(=O)CCCCCCCCOCCBr 34a_100000211926_100010282707 [0,2,0,0,0,0|2,0,0]=4 8456 B15R0.81 COC(=O)CCCCCCCCOCCF 34a_100000035544_100011217306 [0,2,0,0,0,0|2,0,0]=4 8457 B15R0.81 COC(=O)CCCCCCCCOCCF 7a_100000035544_100011217306 [0,2,0,0,0,0|2,0,0]=4 8458 B15R0.81 COC(=O)CCCCCCCCOCCN 34a_100000210304_100010282707 [0,2,0,0,0,0|2,0,0]=4 8459 B15R0.81 COC(=O)CCCCCCCCOCCO 34a_100000035544_100000211926 [0,2,0,0,0,0|2,0,0]=4 8460 B15R0.81 COC(=O)CCCCCCCCOCCO 7a_100000035544_100000211926 [0,2,0,0,0,0|2,0,0]=4 8461 B15R0.81 COC(=O)CCCCCCCCOCSC 34a_100000035544_100011218213 [0,2,0,0,0,0|2,0,0]=4 8462 B15R0.81 COC(=O)CCCCCCCCSCCF 62a_100010282707_100011217306 [0,2,0,0,0,0|2,0,0]=4 8463 B15R0.81 COC(=O)CCCCCCCCSCCF 62a_100011217306_100010282707 [0,2,0,0,0,0|2,0,0]=4 8464 B15R0.81 COC(=O)CCCCCCCCSCCO 62a_100000211926_100010282707 [0,2,0,0,0,0|2,0,0]=4 8465 B15R0.81 COC(=O)CCCCCCCCSCCO 62a_100010282707_100000211926 [0,2,0,0,0,0|2,0,0]=4 8466 B15R0.81 COC(=O)CCCCCCCCSCSC 62a_100010282707_100011218213 [0,2,0,0,0,0|2,0,0]=4 8467 B15R0.81 COC(=O)CCCCCCCCSCSC 62a_100011218213_100010282707 [0,2,0,0,0,0|2,0,0]=4 8468 B15R0.81 COC(=O)CCCCCCCNCCCF 2230a_100015189416_100010004213 [0,2,0,0,0,0|2,0,0]=4 8469 B15R0.81 COC(=O)CCCCCCCNCCCF 34a_100015189416_100010004213 [0,2,0,0,0,0|2,0,0]=4 8470 B15R0.81 COC(=O)CCCCCCCNCCSC 2230a_100020590264_100010004213 [0,2,0,0,0,0|2,0,0]=4 8471 B15R0.81 COC(=O)CCCCCCCOCCCBr 34a_100011217188_100010004213 [0,2,0,0,0,0|2,0,0]=4 8472 B15R0.81 COC(=O)CCCCCCCOCCCCl 34a_100000230001_100010004213 [0,2,0,0,0,0|2,0,0]=4 8473 B15R0.81 COC(=O)CCCCCCCOCCCF 34a_100000759539_100010004213 [0,2,0,0,0,0|2,0,0]=4 8474 B15R0.81 COC(=O)CCCCCCCOCCCF 34a_100011022521_100011934791 [0,2,0,0,0,0|2,0,0]=4 8475 B15R0.81 COC(=O)CCCCCCCOCCCF 7a_100011022521_100011934791 [0,2,0,0,0,0|2,0,0]=4 8476 B15R0.81 COC(=O)CCCCCCCOCCCN 34a_100000182051_100010004213 [0,2,0,0,0,0|2,0,0]=4 8477 B15R0.81 COC(=O)CCCCCCCOCCCO 34a_100011022521_100000230001 [0,2,0,0,0,0|2,0,0]=4 8478 B15R0.81 COC(=O)CCCCCCCOCCCO 7a_100011022521_100011215043 [0,2,0,0,0,0|2,0,0]=4 8479 B15R0.81 COC(=O)CCCCCCCOCCSC 34a_100000230434_100010004213 [0,2,0,0,0,0|2,0,0]=4 8480 B15R0.81 COC(=O)CCCCCCCOCCSC 34a_100011022521_100000212216 [0,2,0,0,0,0|2,0,0]=4 8481 B15R0.81 COC(=O)CCCCCCCOCCSC 7a_100000230434_100010004213 [0,2,0,0,0,0|2,0,0]=4 8482 B15R0.81 COC(=O)CCCCCCCOCCSC 7a_100011022521_100000212216 [0,2,0,0,0,0|2,0,0]=4 8483 B15R0.81 COC(=O)CCCCCCCSCCCF 62a_100010004213_100011934791 [0,2,0,0,0,0|2,0,0]=4 8484 B15R0.81 COC(=O)CCCCCCCSCCCF 62a_100011934791_100010004213 [0,2,0,0,0,0|2,0,0]=4 8485 B15R0.81 COC(=O)CCCCCCCSCCCO 62a_100010004213_100011215043 [0,2,0,0,0,0|2,0,0]=4 8486 B15R0.81 COC(=O)CCCCCCCSCCCO 62a_100011215043_100010004213 [0,2,0,0,0,0|2,0,0]=4 8487 B15R0.81 COC(=O)CCCCCCCSCCSC 62a_100000212216_100010004213 [0,2,0,0,0,0|2,0,0]=4 8488 B15R0.81 COC(=O)CCCCCCCSCCSC 62a_100010004213_100000751147 [0,2,0,0,0,0|2,0,0]=4 8489 B15R0.81 COC(=O)CCCCCCNCCCCO 2230a_100000750430_100009815986 [0,2,0,0,0,0|2,0,0]=4 8490 B15R0.81 COC(=O)CCCCCCNCCCCO 34a_100000750430_100009815986 [0,2,0,0,0,0|2,0,0]=4 8491 B15R0.81 COC(=O)CCCCCCNCCCSC 2230a_100000749238_100009815986 [0,2,0,0,0,0|2,0,0]=4 8492 B15R0.81 COC(=O)CCCCCCOCCCCBr 34a_100011216708_100009815986 [0,2,0,0,0,0|2,0,0]=4 8493 B15R0.81 COC(=O)CCCCCCOCCCCCl 34a_100000210776_100009815986 [0,2,0,0,0,0|2,0,0]=4 8494 B15R0.81 COC(=O)CCCCCCOCCCCCl 7a_100000210776_100009815986 [0,2,0,0,0,0|2,0,0]=4 8495 B15R0.81 COC(=O)CCCCCCOCCCCF 34a_100009863599_100000729493 [0,2,0,0,0,0|2,0,0]=4 8496 B15R0.81 COC(=O)CCCCCCOCCCCF 34a_100011995726_100009815986 [0,2,0,0,0,0|2,0,0]=4 8497 B15R0.81 COC(=O)CCCCCCOCCCCF 7a_100009863599_100000729493 [0,2,0,0,0,0|2,0,0]=4 8498 B15R0.81 COC(=O)CCCCCCOCCCCF 7a_100011995726_100009815986 [0,2,0,0,0,0|2,0,0]=4 8499 B15R0.81 COC(=O)CCCCCCOCCCCI 34a_200012148704_100009815986 [0,2,0,0,0,0|2,0,0]=4 8500 B15R0.81 COC(=O)CCCCCCOCCCCN 34a_100000750430_100009815986 [0,2,0,0,0,0|2,0,0]=4 8501 B15R0.81 COC(=O)CCCCCCOCCCCO 34a_100009863599_100011216708 [0,2,0,0,0,0|2,0,0]=4 8502 B15R0.81 COC(=O)CCCCCCOCCCCO 7a_100009863599_100000210776 [0,2,0,0,0,0|2,0,0]=4 8503 B15R0.81 COC(=O)CCCCCCOCCCSC 34a_100000690336_100009815986 [0,2,0,0,0,0|2,0,0]=4 8504 B15R0.81 COC(=O)CCCCCCOCCCSC 7a_100000690336_100009815986 [0,2,0,0,0,0|2,0,0]=4 8505 B15R0.81 COC(=O)CCCCCCSCCCCF 62a_100000729493_100009815986 [0,2,0,0,0,0|2,0,0]=4 8506 B15R0.81 COC(=O)CCCCCCSCCCCF 62a_100009815986_100000729493 [0,2,0,0,0,0|2,0,0]=4 8507 B15R0.81 COC(=O)CCCCCCSCCCCO 62a_100000210776_100009815986 [0,2,0,0,0,0|2,0,0]=4 8508 B15R0.81 COC(=O)CCCCCCSCCCCO 62a_100009815986_100000210776 [0,2,0,0,0,0|2,0,0]=4 8509 B15R0.81 COC(=O)CCCCCNCCCCCO 2230a_100000762737_100009816466 [0,2,0,0,0,0|2,0,0]=4 8510 B15R0.81 COC(=O)CCCCCNCCCCCO 34a_100000762737_100009816466 [0,2,0,0,0,0|2,0,0]=4 8511 B15R0.81 COC(=O)CCCCCOCCCCCBr 34a_100000746331_100009816466 [0,2,0,0,0,0|2,0,0]=4 8512 B15R0.81 COC(=O)CCCCCOCCCCCBr 7a_100000746331_100009816466 [0,2,0,0,0,0|2,0,0]=4 8513 B15R0.81 COC(=O)CCCCCOCCCCCCl 34a_100000746330_100009816466 [0,2,0,0,0,0|2,0,0]=4 8514 B15R0.81 COC(=O)CCCCCOCCCCCCl 7a_100000746330_100009816466 [0,2,0,0,0,0|2,0,0]=4 8515 B15R0.81 COC(=O)CCCCCOCCCCCF 34a_100000074720_100000729378 [0,2,0,0,0,0|2,0,0]=4 8516 B15R0.81 COC(=O)CCCCCOCCCCCF 7a_100000074720_100000729378 [0,2,0,0,0,0|2,0,0]=4 8517 B15R0.81 COC(=O)CCCCCOCCCCCI 34a_200012148887_100009816466 [0,2,0,0,0,0|2,0,0]=4 8518 B15R0.81 COC(=O)CCCCCOCCCCCI 7a_200012148887_100009816466 [0,2,0,0,0,0|2,0,0]=4 8519 B15R0.81 COC(=O)CCCCCOCCCCCN 34a_100000762737_100009816466 [0,2,0,0,0,0|2,0,0]=4 8520 B15R0.81 COC(=O)CCCCCOCCCCCO 34a_100000074720_100000746330 [0,2,0,0,0,0|2,0,0]=4 8521 B15R0.81 COC(=O)CCCCCOCCCCCO 7a_100000074720_100000746330 [0,2,0,0,0,0|2,0,0]=4 8522 B15R0.81 COC(=O)CCCCCOCCCCSC 34a_100011217163_100009816466 [0,2,0,0,0,0|2,0,0]=4 8523 B15R0.81 COC(=O)CCCCCOCCCCSC 7a_100011217163_100009816466 [0,2,0,0,0,0|2,0,0]=4 8524 B15R0.81 COC(=O)CCCCCSCCCCCF 62a_100000729378_100009816466 [0,2,0,0,0,0|2,0,0]=4 8525 B15R0.81 COC(=O)CCCCCSCCCCCF 62a_100009816466_100000729378 [0,2,0,0,0,0|2,0,0]=4 8526 B15R0.81 COC(=O)CCCCCSCCCCCO 62a_100000746330_100009816466 [0,2,0,0,0,0|2,0,0]=4 8527 B15R0.81 COC(=O)CCCCCSCCCCCO 62a_100009816466_100000746330 [0,2,0,0,0,0|2,0,0]=4 8528 B15R0.81 COC(=O)CCCCNCCCCCCO 2230a_100000686447_100000204269 [0,2,0,0,0,0|2,0,0]=4 8529 B15R0.81 COC(=O)CCCCNCCCCCCO 34a_100000686447_100000204269 [0,2,0,0,0,0|2,0,0]=4 8530 B15R0.81 COC(=O)CCCCOCCCCCCBr 34a_100011215345_100000204269 [0,2,0,0,0,0|2,0,0]=4 8531 B15R0.81 COC(=O)CCCCOCCCCCCBr 7a_100011215345_100000204269 [0,2,0,0,0,0|2,0,0]=4 8532 B15R0.81 COC(=O)CCCCOCCCCCCCl 34a_100000766143_100000204269 [0,2,0,0,0,0|2,0,0]=4 8533 B15R0.81 COC(=O)CCCCOCCCCCCCl 7a_100000766143_100000204269 [0,2,0,0,0,0|2,0,0]=4 8534 B15R0.81 COC(=O)CCCCOCCCCCCF 34a_100000059025_100015922095 [0,2,0,0,0,0|2,0,0]=4 8535 B15R0.81 COC(=O)CCCCOCCCCCCF 34a_100000732779_100000204269 [0,2,0,0,0,0|2,0,0]=4 8536 B15R0.81 COC(=O)CCCCOCCCCCCF 7a_100000059025_100015922095 [0,2,0,0,0,0|2,0,0]=4 8537 B15R0.81 COC(=O)CCCCOCCCCCCF 7a_100000732779_100000204269 [0,2,0,0,0,0|2,0,0]=4 8538 B15R0.81 COC(=O)CCCCOCCCCCCN 34a_100000686447_100000204269 [0,2,0,0,0,0|2,0,0]=4 8539 B15R0.81 COC(=O)CCCCOCCCCCCO 34a_100000059025_100000766143 [0,2,0,0,0,0|2,0,0]=4 8540 B15R0.81 COC(=O)CCCCOCCCCCCO 7a_100000059025_100000766143 [0,2,0,0,0,0|2,0,0]=4 8541 B15R0.81 COC(=O)CCCCSCCCCCCF 62a_100000204269_100015922095 [0,2,0,0,0,0|2,0,0]=4 8542 B15R0.81 COC(=O)CCCCSCCCCCCF 62a_100015922095_100000204269 [0,2,0,0,0,0|2,0,0]=4 8543 B15R0.81 COC(=O)CCCCSCCCCCCO 62a_100000204269_100000766143 [0,2,0,0,0,0|2,0,0]=4 8544 B15R0.81 COC(=O)CCCCSCCCCCCO 62a_100000766143_100000204269 [0,2,0,0,0,0|2,0,0]=4 8545 B15R0.81 COC(=O)CCCNCCCCCCCO 2230a_100011996573_100011218270 [0,2,0,0,0,0|2,0,0]=4 8546 B15R0.81 COC(=O)CCCNCCCCCCCO 34a_100011996573_100000742333 [0,2,0,0,0,0|2,0,0]=4 8547 B15R0.81 COC(=O)CCCOCCCCCCCBr 34a_100000760002_100000742333 [0,2,0,0,0,0|2,0,0]=4 8548 B15R0.81 COC(=O)CCCOCCCCCCCBr 7a_100000760002_100011218270 [0,2,0,0,0,0|2,0,0]=4 8549 B15R0.81 COC(=O)CCCOCCCCCCCN 34a_100011996573_100000742333 [0,2,0,0,0,0|2,0,0]=4 8550 B15R0.81 COC(=O)CCCSCCCCCCCO 62a_100000760002_100011218270 [0,2,0,0,0,0|2,0,0]=4 8551 B15R0.81 COC(=O)CCCSCCCCCCCO 62a_100011218270_100000760002 [0,2,0,0,0,0|2,0,0]=4 8552 B15R0.81 COC(=O)CCNCCCCCCCCO 2230a_102515433106_100000204255 [0,2,0,0,0,0|2,0,0]=4 8553 B15R0.81 COC(=O)CCNCCCCCCCCO 34a_102515433106_100000742370 [0,2,0,0,0,0|2,0,0]=4 8554 B15R0.81 COC(=O)CCOCCCCCCCCBr 34a_100009813846_100000742370 [0,2,0,0,0,0|2,0,0]=4 8555 B15R0.81 COC(=O)CCOCCCCCCCCBr 7a_100009813846_100000204255 [0,2,0,0,0,0|2,0,0]=4 8556 B15R0.81 COC(=O)CCOCCCCCCCCCl 34a_100000033203_100000742370 [0,2,0,0,0,0|2,0,0]=4 8557 B15R0.81 COC(=O)CCOCCCCCCCCCl 7a_100000033203_100000204255 [0,2,0,0,0,0|2,0,0]=4 8558 B15R0.81 COC(=O)CCOCCCCCCCCN 34a_102515433106_100000742370 [0,2,0,0,0,0|2,0,0]=4 8559 B15R0.81 COC(=O)CCSCCCCCCCCO 62a_100000033203_100000204255 [0,2,0,0,0,0|2,0,0]=4 8560 B15R0.81 COC(=O)CCSCCCCCCCCO 62a_100000204255_100000033203 [0,2,0,0,0,0|2,0,0]=4 8561 B15R0.81 COC(=O)CNCCCCCCCCCO 2230a_100000078944_100000747449 [0,2,0,0,0,0|2,0,0]=4 8562 B15R0.81 COC(=O)CNCCCCCCCCCO 34a_100000078944_100000747449 [0,2,0,0,0,0|2,0,0]=4 8563 B15R0.81 COC(=O)COCCCCCCCCCBr 34a_100009813782_100000747449 [0,2,0,0,0,0|2,0,0]=4 8564 B15R0.81 COC(=O)COCCCCCCCCCBr 7a_100009813782_100000747449 [0,2,0,0,0,0|2,0,0]=4 8565 B15R0.81 COC(=O)COCCCCCCCCCCl 34a_100009868337_100000747449 [0,2,0,0,0,0|2,0,0]=4 8566 B15R0.81 COC(=O)COCCCCCCCCCCl 7a_100009868337_100000747449 [0,2,0,0,0,0|2,0,0]=4 8567 B15R0.81 COC(=O)COCCCCCCCCCN 34a_100000078944_100000747449 [0,2,0,0,0,0|2,0,0]=4 8568 B15R0.81 COC(=O)CSCCCCCCCCCO 62a_100000747449_100009813782 [0,2,0,0,0,0|2,0,0]=4 8569 B15R0.81 COC(=O)CSCCCCCCCCCO 62a_100009813782_100000747449 [0,2,0,0,0,0|2,0,0]=4 8570 B15R0.81 COCCCCCCCCCCC(=O)OC 34a_100011003013_200000210301 [0,2,0,0,0,0|1,0,0]=3 8571 B15R0.81 COCCCCCCCCCCC(=O)OC 34a_100138415774_100009812566 [0,2,0,0,0,0|1,0,0]=3 8572 B15R0.81 COCCCCCCCCCCC(=O)OC 7a_100011003013_200000210301 [0,2,0,0,0,0|1,0,0]=3 8573 B15R0.81 COCCCCCCOCCCC(=O)NN 34a_100000211488_100011998445 [0,2,0,0,0,0|2,0,0]=4 8574 B15R0.81 COCCCCCCOCCCC(=O)OC 34a_200012092642_100000742333 [0,2,0,0,0,0|2,0,0]=4 8575 B15R0.81 COCCCCCCOCCCC(=O)OC 7a_200012092642_100011218270 [0,2,0,0,0,0|2,0,0]=4 8576 B15R0.81 COCCCCCCSCCCC(=O)OC 62a_100011218270_100011998445 [0,2,0,0,0,0|2,0,0]=4 8577 B15R0.81 COCCCCCCSCCCC(=O)OC 62a_100011998445_100011218270 [0,2,0,0,0,0|2,0,0]=4 8578 B15R0.81 COCCCCCNCCCCC(=O)OC 2230a_100000747528_100000204269 [0,2,0,0,0,0|2,0,0]=4 8579 B15R0.81 COCCCCCNCCCCC(=O)OC 34a_100000747528_100000204269 [0,2,0,0,0,0|2,0,0]=4 8580 B15R0.81 COCCCCOCCCCCC(=O)OC 34a_100000074720_100000755781 [0,2,0,0,0,0|2,0,0]=4 8581 B15R0.81 COCCCCOCCCCCC(=O)OC 34a_100000740925_100009816466 [0,2,0,0,0,0|2,0,0]=4 8582 B15R0.81 COCCCCOCCCCCC(=O)OC 7a_100000074720_100000730899 [0,2,0,0,0,0|2,0,0]=4 8583 B15R0.81 COCCCCSCCCCCC(=O)OC 62a_100000730899_100009816466 [0,2,0,0,0,0|2,0,0]=4 8584 B15R0.81 COCCCCSCCCCCC(=O)OC 62a_100009816466_100000730899 [0,2,0,0,0,0|2,0,0]=4 8585 B15R0.81 COCCCNCCCCCCC(=O)OC 34a_100150723488_100009815986 [0,2,0,0,0,0|2,0,0]=4 8586 B15R0.81 COCCCOCCCCCCC(=O)OC 34a_100000740835_100009815986 [0,2,0,0,0,0|2,0,0]=4 8587 B15R0.81 COCCCOCCCCCCC(=O)OC 34a_100009863599_100000740836 [0,2,0,0,0,0|2,0,0]=4 8588 B15R0.81 COCCCOCCCCCCC(=O)OC 7a_100009863599_100000740836 [0,2,0,0,0,0|2,0,0]=4 8589 B15R0.81 COCCCSCCCCCCC(=O)OC 62a_100000709357_100009815986 [0,2,0,0,0,0|2,0,0]=4 8590 B15R0.81 COCCCSCCCCCCC(=O)OC 62a_100009815986_100000709357 [0,2,0,0,0,0|2,0,0]=4 8591 B15R0.81 COCCNCCCCCCCC(=O)OC 2230a_100000209980_100010004213 [0,2,0,0,0,0|2,0,0]=4 8592 B15R0.81 COCCOCCCCCCCC(=O)OC 34a_100000210237_100010004213 [0,2,0,0,0,0|2,0,0]=4 8593 B15R0.81 COCCOCCCCCCCC(=O)OC 34a_100011022521_100011201679 [0,2,0,0,0,0|2,0,0]=4 8594 B15R0.81 COCCOCCCCCCCC(=O)OC 7a_100011022521_100000233755 [0,2,0,0,0,0|2,0,0]=4 8595 B15R0.81 COCCSCCCCCCCC(=O)OC 62a_100000233755_100010004213 [0,2,0,0,0,0|2,0,0]=4 8596 B15R0.81 COCCSCCCCCCCC(=O)OC 62a_100010004213_100000233755 [0,2,0,0,0,0|2,0,0]=4 8597 B15R0.81 COCSCCCCCCCCC(=O)OC 62a_100000766300_100010282707 [0,2,0,0,0,0|2,0,0]=4 8598 B15R0.81 COCSCCCCCCCCC(=O)OC 62a_100010282707_100000766300 [0,2,0,0,0,0|2,0,0]=4 8599 B15R0.81 NNC(=O)CCCOCCCCCCCO 34a_100000211488_100000760002 [0,2,0,0,0,0|2,0,0]=4 8600 B15R0.81 O=C(CO)CCCCCCCCCCCO 1458a_100000210174_100009812471 [0,2,0,0,0,0|1,0,0]=3 8601 B15R0.81 O=C(CO)NCCCCCCCCCCO 240690a_100000066964_100000210174 [0,2,0,0,0,0|2,0,0]=4 8602 B15R0.84 C=C(Br)C(=O)NCCCCCCCCCC 11a_100000684558_100009813364 [0,2,0,0,0,0|1,1,0]=4 8603 B15R0.84 C=C(Br)C(=O)NCCCCCCCCCC 1626a_100000684558_100009813364 [0,2,0,0,0,0|1,1,0]=4 8604 B15R0.84 C=C(C)C(=O)CCCCCCCCCCO 1458a_100000185857_100009813290 [0,2,0,0,0,0|2,0,0]=4 8605 B15R0.84 C=C(C)C(=O)NCCCCCCCCCC 11a_100000684558_100000185857 [0,2,0,0,0,0|2,0,0]=4 8606 B15R0.84 C=C(C)C(=O)NCCCCCCCCCC 1626a_100000684558_100000185857 [0,2,0,0,0,0|2,0,0]=4 8607 B15R0.84 C=C(C)C(C)NCCCCCCCCCC 269862a_100000684558_100011216138 [0,2,0,0,0,0|2,0,0]=4 8608 B15R0.84 C=C(Cl)C(=O)NCCCCCCCCCC 11a_100000684558_100000039160 [0,2,0,0,0,0|1,0,0]=3 8609 B15R0.84 C=C(Cl)C(=O)NCCCCCCCCCC 1626a_100000684558_100000039160 [0,2,0,0,0,0|1,0,0]=3 8610 B15R0.84 C=C(F)C(=O)NCCCCCCCCCC 11a_100000684558_100000036797 [0,2,0,0,0,0|1,1,0]=4 8611 B15R0.84 C=C(F)C(=O)NCCCCCCCCCC 1626a_100000684558_100000036797 [0,2,0,0,0,0|1,1,0]=4 8612 B15R0.84 CC(=O)C(C)COCCCCCCCCO 34a_100000032740_100000033203 [0,2,0,0,0,0|2,0,0]=4 8613 B15R0.84 CC(=O)C(C)COCCCCCCCCO 7a_100000032740_100000033203 [0,2,0,0,0,0|2,0,0]=4 8614 B15R0.84 CC(=O)C(C)NCCCCCCCCCO 2230a_100000078944_100009814033 [0,2,0,0,0,0|2,0,0]=4 8615 B15R0.84 CC(=O)C(C)OCCCCCCCCCBr 7a_100009813782_100000179758 [0,2,0,0,0,0|2,0,0]=4 8616 B15R0.84 CC(=O)C(C)OCCCCCCCCCCl 7a_100009868337_100000179758 [0,2,0,0,0,0|2,0,0]=4 8617 B15R0.84 CC(=O)C(C)OCCCCCCCCCO 34a_100000212229_100009813782 [0,2,0,0,0,0|2,0,0]=4 8618 B15R0.84 CC(=O)C(C)SCCCCCCCCCO 62a_100009813782_100009814033 [0,2,0,0,0,0|2,0,0]=4 8619 B15R0.84 CC(=O)C(C)SCCCCCCCCCO 62a_100009814033_100009813782 [0,2,0,0,0,0|2,0,0]=4 8620 B15R0.84 CC(C)C(=O)CCCCCCCCCCO 1458a_100000210198_100009813290 [0,2,0,0,0,0|2,0,0]=4 8621 B15R0.84 CC(CNCCCCCCCCO)C(=O)O 269956a_100000749485_100000033203 [0,2,0,0,0,0|2,0,0]=4 8622 B15R0.84 CC(F)C(=O)CCCCCCCCCCO 1458a_100000062450_100009813290 [0,2,0,0,0,0|1,1,0]=4 8623 B15R0.84 CC(NCCCCCCCCCO)C(=O)N 2230a_100000078944_100000702099 [0,2,0,0,0,0|2,0,0]=4 8624 B15R0.84 CC(NCCCCCCCCCO)C(=O)N 34a_100000078944_100000702099 [0,2,0,0,0,0|2,0,0]=4 8625 B15R0.84 CC(OCCCCCCCCCBr)C(=O)N 34a_100009813782_100000702099 [0,2,0,0,0,0|2,0,0]=4 8626 B15R0.84 CC(OCCCCCCCCCBr)C(=O)N 7a_100009813782_100000702099 [0,2,0,0,0,0|2,0,0]=4 8627 B15R0.84 CC(OCCCCCCCCCCl)C(=O)N 34a_100009868337_100000702099 [0,2,0,0,0,0|2,0,0]=4 8628 B15R0.84 CC(OCCCCCCCCCCl)C(=O)N 7a_100009868337_100000702099 [0,2,0,0,0,0|2,0,0]=4 8629 B15R0.84 CC(OCCCCCCCCCN)C(=O)N 34a_100000078944_100000702099 [0,2,0,0,0,0|2,0,0]=4 8630 B15R0.84 CC(SCCCCCCCCCO)C(=O)N 62a_100000702099_100009813782 [0,2,0,0,0,0|2,0,0]=4 8631 B15R0.84 CC(SCCCCCCCCCO)C(=O)N 62a_100009813782_100000702099 [0,2,0,0,0,0|2,0,0]=4 8632 B15R0.84 CCCCCCCCCCCC(=O)C(C)F 1458a_100000062450_100011215454 [0,2,0,0,0,0|0,1,0]=3 8633 B15R0.84 CCCCCCCCCCCC(=O)C(O)O 1458a_100000233687_100011215454 [0,2,0,0,0,0|1,0,0]=3 8634 B15R0.84 CCCCCCCCCCCC(=O)N(C)C 11a_100102631434_100000210736 [0,2,0,0,0,0|1,0,0]=3 8635 B15R0.84 CCCCCCCCCCCC(=O)N(C)C 1626a_100102631434_100000210736 [0,2,0,0,0,0|1,0,0]=3 8636 B15R0.84 CCCCCCCCCCCC(=O)N(C)C 240690a_100102631434_100000210736 [0,2,0,0,0,0|1,0,0]=3 8637 B15R0.84 CCCCCCCCCCCC(=O)[C@@H](C)O 1458a_100000717761_100011215454 [0,2,0,0,0,0|1,0,0]=3 8638 B15R0.84 CCCCCCCCCCCC(=O)[C@H](C)O 1458a_217856618621_100011215454 [0,2,0,0,0,0|1,0,0]=3 8639 B15R0.84 CCCCCCCCCCNC(=O)C(=O)N 240690a_100000684558_100011215815 [0,2,0,0,0,0|1,0,1]=4 8640 B15R0.84 CCCCCCCCCCNC(=O)C(C)C 11a_100000684558_100000210198 [0,2,0,0,0,0|2,0,0]=4 8641 B15R0.84 CCCCCCCCCCNC(=O)C(C)C 1626a_100000684558_100000210198 [0,2,0,0,0,0|2,0,0]=4 8642 B15R0.84 CCCCCCCCCCNC(=O)C(C)C 240690a_100000684558_100000210198 [0,2,0,0,0,0|2,0,0]=4 8643 B15R0.84 CCCCCCCCCCNC(=O)C(C)C 527a_100000684558_100000210198 [0,2,0,0,0,0|2,0,0]=4 8644 B15R0.84 CCCCCCCCCCNC(=O)C(C)F 11a_100000684558_100000062450 [0,2,0,0,0,0|1,1,0]=4 8645 B15R0.84 CCCCCCCCCCNC(=O)C(C)F 1626a_100000684558_100000062450 [0,2,0,0,0,0|1,1,0]=4 8646 B15R0.84 CCCCCCCCCCNC(=O)C(C)F 240690a_100000684558_100000062450 [0,2,0,0,0,0|1,1,0]=4 8647 B15R0.84 CCCCCCCCCCNC(=O)C(C)F 527a_100000684558_100000062450 [0,2,0,0,0,0|1,1,0]=4 8648 B15R0.84 CCCCCCCCCCNC(=O)C(F)F 11a_100000684558_100000210393 [0,2,0,0,0,0|1,1,0]=4 8649 B15R0.84 CCCCCCCCCCNC(=O)C(F)F 1626a_100000684558_100000210393 [0,2,0,0,0,0|1,1,0]=4 8650 B15R0.84 CCCCCCCCCCNC(=O)C(F)F 240690a_100000684558_100000210393 [0,2,0,0,0,0|1,1,0]=4 8651 B15R0.84 CCCCCCCCCCNC(=O)C(F)F 527a_100000684558_100000210393 [0,2,0,0,0,0|1,1,0]=4 8652 B15R0.84 CCCCCCCCCCNC(=O)C(O)O 240690a_100000684558_100000233687 [0,2,0,0,0,0|2,0,0]=4 8653 B15R0.84 CCCCCCCCCCNC(=O)N(C)C 2708a_100000684558_100102631434 [0,2,0,0,0,0|2,0,0]=4 8654 B15R0.84 CCCCCCCCCCNC(=O)[C@@H](C)O 240690a_100000684558_100000717761 [0,2,0,0,0,0|2,0,0]=4 8655 B15R0.84 CCCCCCCCCCNC(=O)[C@H](C)O 1626a_100000684558_217856618621 [0,2,0,0,0,0|2,0,0]=4 8656 B15R0.84 CCCCCCCCCCNC(=O)[C@H](C)O 240690a_100000684558_217856618621 [0,2,0,0,0,0|2,0,0]=4 8657 B15R0.84 CCCCCCCCCCNC(C)C(=O)C 2230a_100000684558_100009814033 [0,2,0,0,0,0|1,0,0]=3 8658 B15R0.84 CCCCCCCCCCNC(C)C(=O)N 2230a_100000684558_100000702099 [0,2,0,0,0,0|1,0,0]=3 8659 B15R0.84 CCCCCCCCCCNC(C)C(=O)N 34a_100000684558_100000702099 [0,2,0,0,0,0|1,0,0]=3 8660 B15R0.84 CCCCCCCCCCNC(F)C(=O)N 2230a_100000684558_100009813875 [0,2,0,0,0,0|1,0,0]=3 8661 B15R0.84 CCCCCCCCCCNC(F)C(=O)N 34a_100000684558_100009813875 [0,2,0,0,0,0|1,0,0]=3 8662 B15R0.84 CCCCCCCCCCNC(F)C(=O)[O-] 34a_100000684558_100020610796 [0,2,0,0,0,0|1,0,0]=3 8663 B15R0.84 CCCCCCCCCCN[C@@H](C)C(=O)O 269956a_100000743915_100000210320 [0,2,0,0,0,0|1,0,0]=3 8664 B15R0.84 CCCCCCCCCCN[C@H](C)C(=O)N 2230a_100000119354_100000210320 [0,2,0,0,0,0|1,0,0]=3 8665 B15R0.84 CCCCCCCCCCN[C@H](C)C(=O)N 34a_100000119354_100000210320 [0,2,0,0,0,0|1,0,0]=3 8666 B15R0.84 CCCCCCCCCCOC(C)C(=O)C 34a_100000212229_100000210320 [0,2,0,0,0,0|1,0,0]=3 8667 B15R0.84 CCCCCCCCCCOC(C)C(=O)C 7a_100000210711_100000179758 [0,2,0,0,0,0|1,0,0]=3 8668 B15R0.84 CCCCCCCCCCOC(C)C(=O)N 34a_100000210711_100000702099 [0,2,0,0,0,0|1,0,0]=3 8669 B15R0.84 CCCCCCCCCCOC(C)C(=O)N 7a_100000210711_100000702099 [0,2,0,0,0,0|1,0,0]=3 8670 B15R0.84 CCCCCCCCCCOC(F)C(=O)N 34a_100000210711_100009813875 [0,2,0,0,0,0|1,0,0]=3 8671 B15R0.84 CCCCCCCCCCOC(F)C(=O)N 7a_100000210711_100009813875 [0,2,0,0,0,0|1,0,0]=3 8672 B15R0.84 CCCCCCCCCCOC(F)C(=O)[O-] 34a_100000210711_100020610796 [0,2,0,0,0,0|1,0,0]=3 8673 B15R0.84 CCCCCCCCCCO[C@@H](C)C(=O)[O-] 7a_217856618621_100000210320 [0,2,0,0,0,0|1,0,0]=3 8674 B15R0.84 CCCCCCCCCCO[C@H](C)C(=O)N 34a_100000731257_100000210320 [0,2,0,0,0,0|1,0,0]=3 8675 B15R0.84 CCCCCCCCCCO[C@H](C)C(=O)N 7a_100000731257_100000210320 [0,2,0,0,0,0|1,0,0]=3 8676 B15R0.84 CCCCCCCCCCSC(C)C(=O)C 62a_100009814033_100000210320 [0,2,0,0,0,0|1,0,0]=3 8677 B15R0.84 CCCCCCCCCCSC(C)C(=O)N 62a_100000702099_100000210320 [0,2,0,0,0,0|1,0,0]=3 8678 B15R0.84 CCCCCCCCCCSC(F)C(=O)N 62a_100009813875_100000210320 [0,2,0,0,0,0|1,0,0]=3 8679 B15R0.84 CCCCCCCCCCSC(F)C(=O)[O-] 62a_100020610796_100000210320 [0,2,0,0,0,0|1,0,0]=3 8680 B15R0.84 CCCCCCCCCNCC(=O)C(=O)C 34a_100000212291_100011261029 [0,2,0,0,0,0|1,0,1]=4 8681 B15R0.84 CCCCCCCCCNCC(=O)C(C)C 2230a_100000212291_100000753385 [0,2,0,0,0,0|2,0,0]=4 8682 B15R0.84 CCCCCCCCCNCC(=O)C(C)C 34a_100000212291_100000753385 [0,2,0,0,0,0|2,0,0]=4 8683 B15R0.84 CCCCCCCCCNCC(=O)N(C)C 2230a_100000212291_100000185267 [0,2,0,0,0,0|2,0,0]=4 8684 B15R0.84 CCCCCCCCCNCC(=O)N(C)C 2230a_100015183351_100011214924 [0,2,0,0,0,0|2,0,0]=4 8685 B15R0.84 CCCCCCCCCNCC(=O)N(C)C 34a_100000212291_100000692301 [0,2,0,0,0,0|2,0,0]=4 8686 B15R0.84 CCCCCCCCCNCC(C)C(=O)O 269956a_100000749485_100000210670 [0,2,0,0,0,0|1,0,0]=3 8687 B15R0.84 CCCCCCCCCNCC(F)C(=O)O 269956a_100000084737_100000210670 [0,2,0,0,0,0|1,0,0]=3 8688 B15R0.84 CCCCCCCCCOCC(=O)C(=O)C 34a_100000210712_100011261029 [0,2,0,0,0,0|1,0,1]=4 8689 B15R0.84 CCCCCCCCCOCC(=O)C(C)C 34a_100000210712_100000753385 [0,2,0,0,0,0|2,0,0]=4 8690 B15R0.84 CCCCCCCCCOCC(=O)C(C)C 7a_100000210712_100000753385 [0,2,0,0,0,0|2,0,0]=4 8691 B15R0.84 CCCCCCCCCOCC(=O)N(C)C 34a_100000210712_100000692301 [0,2,0,0,0,0|2,0,0]=4 8692 B15R0.84 CCCCCCCCCOCC(=O)N(C)C 7a_100000210712_100000692301 [0,2,0,0,0,0|2,0,0]=4 8693 B15R0.84 CCCCCCCCCOCC(C)C(=O)C 34a_100000032740_100011214924 [0,2,0,0,0,0|1,0,0]=3 8694 B15R0.84 CCCCCCCCCOCC(C)C(=O)C 7a_100000032740_100000210328 [0,2,0,0,0,0|1,0,0]=3 8695 B15R0.84 CCCCCCCCCOCC(C)[N+](=O)[O-] 34a_100000039676_100011214924 [0,2,0,0,0,0|2,0,0]=4 8696 B15R0.84 CCCCCCCCCOCC(C)[N+](=O)[O-] 7a_100000039676_100000210328 [0,2,0,0,0,0|2,0,0]=4 8697 B15R0.84 CCCCCCCCCOC[C@H](N)C(=O)N 34a_100000729942_100011214924 [0,2,0,0,0,0|1,0,0]=3 8698 B15R0.84 CCCCCCCCCSCC(=O)C(=O)C 62a_100011261029_100000210670 [0,2,0,0,0,0|1,0,1]=4 8699 B15R0.84 CCCCCCCCCSCC(=O)C(C)C 62a_100000753385_100000210670 [0,2,0,0,0,0|2,0,0]=4 8700 B15R0.84 CCCCCCCCCSCC(=O)N(C)C 62a_100000692301_100000210670 [0,2,0,0,0,0|2,0,0]=4 8701 B15R0.84 CCCCCCCCNCCC(=O)N(C)C 2230a_100000229939_100000737620 [0,2,0,0,0,0|2,0,0]=4 8702 B15R0.84 CCCCCCCCNCCC(=O)N(C)C 2230a_100000738053_100000210759 [0,2,0,0,0,0|2,0,0]=4 8703 B15R0.84 CCCCCCCCOCCC(=O)N(C)C 34a_200000747469_100000210759 [0,2,0,0,0,0|2,0,0]=4 8704 B15R0.84 CCCCCCCCOCCC(=O)N(C)C 7a_100000210232_100000737620 [0,2,0,0,0,0|2,0,0]=4 8705 B15R0.84 CCCCCCCCSCCC(=O)N(C)C 62a_100000210759_100000737620 [0,2,0,0,0,0|2,0,0]=4 8706 B15R0.84 CCCCCCCCSCCC(=O)N(C)C 62a_100000737620_100000210317 [0,2,0,0,0,0|2,0,0]=4 8707 B15R0.84 CCCCCCCNCCCC(=O)N(C)C 2230a_100000229938_100000737642 [0,2,0,0,0,0|2,0,0]=4 8708 B15R0.84 CCCCCCCNCCCC(=O)N(C)C 2230a_200000744827_100000210681 [0,2,0,0,0,0|2,0,0]=4 8709 B15R0.84 CCCCCCCOCCCC(=O)N(C)C 7a_100000210272_100000737642 [0,2,0,0,0,0|2,0,0]=4 8710 B15R0.84 CCCCCCCSCCCC(=O)N(C)C 62a_100000210614_100000737642 [0,2,0,0,0,0|2,0,0]=4 8711 B15R0.84 CCCCCCCSCCCC(=O)N(C)C 62a_100000737642_100000210316 [0,2,0,0,0,0|2,0,0]=4 8712 B15R0.84 CCCCCCOCCCCC(=O)N(C)C 34a_100000210259_100000752486 [0,2,0,0,0,0|2,0,0]=4 8713 B15R0.84 CCCCCCOCCCCC(=O)N(C)C 7a_100000210259_100000752486 [0,2,0,0,0,0|2,0,0]=4 8714 B15R0.84 CCCCCCSCCCCC(=O)N(C)C 62a_100000210314_100000752486 [0,2,0,0,0,0|2,0,0]=4 8715 B15R0.84 CCCCCCSCCCCC(=O)N(C)C 62a_100000752486_100000210757 [0,2,0,0,0,0|2,0,0]=4 8716 B15R0.84 CN(C)C(=O)CCCCCCCCCCO 240690a_100102631434_200000016029 [0,2,0,0,0,0|2,0,0]=4 8717 B15R0.84 C[C@@H](NCCCCCCCCCO)C(=O)N 2230a_100000119354_100009813782 [0,2,0,0,0,0|2,0,0]=4 8718 B15R0.84 C[C@@H](NCCCCCCCCCO)C(=O)N 34a_100000119354_100009813782 [0,2,0,0,0,0|2,0,0]=4 8719 B15R0.84 C[C@@H](O)C(=O)CCCCCCCCCCO 1458a_100000717761_100009813290 [0,2,0,0,0,0|2,0,0]=4 8720 B15R0.84 C[C@@H](OCCCCCCCCCO)C(=O)N 34a_100000731257_100009813782 [0,2,0,0,0,0|2,0,0]=4 8721 B15R0.84 C[C@@H](OCCCCCCCCCO)C(=O)N 7a_100000731257_100009813782 [0,2,0,0,0,0|2,0,0]=4 8722 B15R0.84 C[C@H](NCCCCCCCCCO)C(=O)O 269956a_100000743915_100009813782 [0,2,0,0,0,0|2,0,0]=4 8723 B15R0.84 C[C@H](O)C(=O)CCCCCCCCCCO 1458a_217856618621_100009813290 [0,2,0,0,0,0|2,0,0]=4 8724 B15R0.84 C[C@H](OCCCCCCCCCO)C(=O)[O-] 7a_217856618621_100009813782 [0,2,0,0,0,0|2,0,0]=4 8725 B15R0.84 NC(=O)C(F)NCCCCCCCCCO 2230a_100000078944_100009813875 [0,2,0,0,0,0|2,0,0]=4 8726 B15R0.84 NC(=O)C(F)NCCCCCCCCCO 34a_100000078944_100009813875 [0,2,0,0,0,0|2,0,0]=4 8727 B15R0.84 NC(=O)C(F)OCCCCCCCCCBr 34a_100009813782_100009813875 [0,2,0,0,0,0|2,0,0]=4 8728 B15R0.84 NC(=O)C(F)OCCCCCCCCCBr 7a_100009813782_100009813875 [0,2,0,0,0,0|2,0,0]=4 8729 B15R0.84 NC(=O)C(F)OCCCCCCCCCCl 34a_100009868337_100009813875 [0,2,0,0,0,0|2,0,0]=4 8730 B15R0.84 NC(=O)C(F)OCCCCCCCCCCl 7a_100009868337_100009813875 [0,2,0,0,0,0|2,0,0]=4 8731 B15R0.84 NC(=O)C(F)SCCCCCCCCCO 62a_100009813782_100009813875 [0,2,0,0,0,0|2,0,0]=4 8732 B15R0.84 NC(=O)C(F)SCCCCCCCCCO 62a_100009813875_100009813782 [0,2,0,0,0,0|2,0,0]=4 8733 B15R0.84 NC(=O)[C@@H](N)COCCCCCCCCO 34a_100000729942_100000033203 [0,2,0,0,0,0|2,0,0]=4 8734 B15R0.84 NCCCCCCCCCOC(F)C(=O)N 34a_100000078944_100009813875 [0,2,0,0,0,0|2,0,0]=4 8735 B15R0.84 NCCCCCCCCCOC(F)C(=O)[O-] 34a_100000078944_100020610796 [0,2,0,0,0,0|2,0,0]=4 8736 B15R0.84 O=C(CCCCCCCCCCO)C(O)O 1458a_100000233687_100009813290 [0,2,0,0,0,0|2,0,0]=4 8737 B15R0.84 O=C(O)C(F)CNCCCCCCCCO 269956a_100000084737_100000033203 [0,2,0,0,0,0|2,0,0]=4 8738 B15R0.84 O=C([O-])C(F)NCCCCCCCCCO 34a_100000078944_100020610796 [0,2,0,0,0,0|2,0,0]=4 8739 B15R0.84 O=C([O-])C(F)OCCCCCCCCCBr 34a_100009813782_100020610796 [0,2,0,0,0,0|2,0,0]=4 8740 B15R0.84 O=C([O-])C(F)OCCCCCCCCCCl 34a_100009868337_100020610796 [0,2,0,0,0,0|2,0,0]=4 8741 B15R0.84 O=C([O-])C(F)SCCCCCCCCCO 62a_100009813782_100020610796 [0,2,0,0,0,0|2,0,0]=4 8742 B15R0.84 O=C([O-])C(F)SCCCCCCCCCO 62a_100020610796_100009813782 [0,2,0,0,0,0|2,0,0]=4 8743 B15R0.189 CCCCCCC(=O)CCCCC(=O)OC 1458a_100000695723_100000210757 [0,2,0,0,0,0|1,0,1]=4 8744 B15R0.189 CCCCCCC(=O)CCCCC(=O)OC 1458a_100102632555_100000204269 [0,2,0,0,0,0|1,0,1]=4 8745 B15R0.189 CCCCCCC(C)CCOCC(=O)CC 7a_200011024964_100000747405 [0,2,0,0,0,0|2,0,0]=4 8746 B15R0.189 CCCCCCC(C)CCOCC(=O)NC 34a_200011024964_100000183359 [0,2,0,0,0,0|2,0,0]=4 8747 B15R0.189 CCCCCCC(C)CCOCC(=O)NC 7a_200011024964_100000183359 [0,2,0,0,0,0|2,0,0]=4 8748 B15R0.189 CCCCCCC(C)CCOCC(=O)OC 34a_200011024964_100000747449 [0,2,0,0,0,0|2,0,0]=4 8749 B15R0.189 CCCCCCC(C)CCOCC(=O)OC 7a_200011024964_100000747449 [0,2,0,0,0,0|2,0,0]=4 8750 B15R0.189 CCCCCCC(C)NCCCC(=O)NC 2230a_100000210919_100000741757 [0,2,0,0,0,0|2,0,0]=4 8751 B15R0.189 CCCCCCC(C)NCCCC(=O)NC 2230a_100000740002_100011215978 [0,2,0,0,0,0|2,0,0]=4 8752 B15R0.189 CCCCCCC(C)NCCCC(=O)NC 270004a_100000740002_100000210826 [0,2,0,0,0,0|2,0,0]=4 8753 B15R0.189 CCCCCCC(C)NCCCC(=O)NC 34a_100000210919_100000741757 [0,2,0,0,0,0|2,0,0]=4 8754 B15R0.189 CCCCCCC(C)NCCCC(=O)NC 34a_100000740002_100011215978 [0,2,0,0,0,0|2,0,0]=4 8755 B15R0.189 CCCCCCC(C)NCCCC(=O)OC 2230a_100000210919_100011218270 [0,2,0,0,0,0|2,0,0]=4 8756 B15R0.189 CCCCCCC(C)NCCCC(=O)OC 34a_100000210919_100000742333 [0,2,0,0,0,0|2,0,0]=4 8757 B15R0.189 CCCCCCC(C)OCCCC(=O)NC 34a_100000210265_100000741757 [0,2,0,0,0,0|2,0,0]=4 8758 B15R0.189 CCCCCCC(C)OCCCC(=O)NC 7a_100000210265_100000741757 [0,2,0,0,0,0|2,0,0]=4 8759 B15R0.189 CCCCCCC(C)OCCCC(=O)NN 34a_100000211488_100011215978 [0,2,0,0,0,0|2,0,0]=4 8760 B15R0.189 CCCCCCC(C)OCCCC(=O)OC 34a_100000210265_100000742333 [0,2,0,0,0,0|2,0,0]=4 8761 B15R0.189 CCCCCCC(C)OCCCC(=O)OC 7a_100000210265_100011218270 [0,2,0,0,0,0|2,0,0]=4 8762 B15R0.189 CCCCCCC(C)SCCCC(=O)NC 62a_100000741757_100011215978 [0,2,0,0,0,0|2,0,0]=4 8763 B15R0.189 CCCCCCC(C)SCCCC(=O)NC 62a_100011215978_100000741757 [0,2,0,0,0,0|2,0,0]=4 8764 B15R0.189 CCCCCCC(C)SCCCC(=O)OC 62a_100011215978_100011218270 [0,2,0,0,0,0|2,0,0]=4 8765 B15R0.189 CCCCCCC(C)SCCCC(=O)OC 62a_100011218270_100011215978 [0,2,0,0,0,0|2,0,0]=4 8766 B15R0.189 CCCCCCN(C)CCCCC(=O)OC 2230a_106256046315_100000204269 [0,2,0,0,0,0|2,0,0]=4 8767 B15R0.189 CCCCCCN(C)CCCCC(=O)OC 269982a_106256046315_100000204269 [0,2,0,0,0,0|2,0,0]=4 8768 B15R0.324 C=CC(=O)N(C)CCCCCCCCCC 1626a_100000207566_100000185746 [0,2,0,0,0,0|2,0,0]=4 8769 B15R0.324 C=CC(=O)N(C)CCCCCCCCCC 240690a_100000207566_200121576911 [0,2,0,0,0,0|2,0,0]=4 8770 B15R0.324 CCCCCCCCCCC(=O)C(=O)NC 1458a_100011218921_100000210319 [0,2,0,0,0,0|1,0,1]=4 8771 B15R0.324 CCCCCCCCCCN(C)C(=O)CC 11a_100000207566_100000210414 [0,2,0,0,0,0|2,0,0]=4 8772 B15R0.324 CCCCCCCCCCN(C)C(=O)CC 1626a_100000207566_100000210414 [0,2,0,0,0,0|2,0,0]=4 8773 B15R0.324 CCCCCCCCCCN(C)C(=O)CC 240690a_100000207566_100000210414 [0,2,0,0,0,0|2,0,0]=4 8774 B15R0.324 CCCCCCCCCCN(C)C(=O)CC 527a_100000207566_100000210414 [0,2,0,0,0,0|2,0,0]=4 8775 B15R0.324 CCCCCCCCCCN(C)C(=O)CO 240690a_100000207566_100000210174 [0,2,0,0,0,0|2,0,0]=4 8776 B15R0.324 CCCCCCCCCCN(C)C(=O)CO 527a_100000207566_100000210174 [0,2,0,0,0,0|2,0,0]=4 8777 B15R0.324 CCCCCCCCCCN(C)C(=O)NC 2708a_100102657272_100000207566 [0,2,0,0,0,0|2,0,0]=4 8778 B15R0.324 CCCCCCCCCCN(C)C(=O)NC 273464a_100102657272_100000207566 [0,2,0,0,0,0|2,0,0]=4 8779 B15R0.324 CCCCCCCCCNC(C)C(=O)CC 2230a_100000212291_100000742827 [0,2,0,0,0,0|2,0,0]=4 8780 B15R0.324 CCCCCCCCCNC(C)C(=O)NC 2230a_100000212291_100000731044 [0,2,0,0,0,0|2,0,0]=4 8781 B15R0.324 CCCCCCCCCNC(C)C(=O)NC 34a_100000212291_100000731044 [0,2,0,0,0,0|2,0,0]=4 8782 B15R0.324 CCCCCCCCCNC(C)C(=O)OC 2230a_100000212291_100000211248 [0,2,0,0,0,0|2,0,0]=4 8783 B15R0.324 CCCCCCCCCNC(C)C(=O)OC 34a_100000212291_100000211248 [0,2,0,0,0,0|2,0,0]=4 8784 B15R0.324 CCCCCCCCCNC(F)C(=O)NC 2230a_100000212291_100009813575 [0,2,0,0,0,0|2,0,0]=4 8785 B15R0.324 CCCCCCCCCNC(F)C(=O)NC 34a_100000212291_100009813575 [0,2,0,0,0,0|2,0,0]=4 8786 B15R0.324 CCCCCCCCCN[C@H](C)C(=O)NC 2230a_100000684985_100011214924 [0,2,0,0,0,0|2,0,0]=4 8787 B15R0.324 CCCCCCCCCN[C@H](C)C(=O)NC 34a_100000684985_100011214924 [0,2,0,0,0,0|2,0,0]=4 8788 B15R0.324 CCCCCCCCCOC(C)C(=O)CC 7a_100000210712_100000742827 [0,2,0,0,0,0|2,0,0]=4 8789 B15R0.324 CCCCCCCCCOC(C)C(=O)NC 34a_100000210712_100000731044 [0,2,0,0,0,0|2,0,0]=4 8790 B15R0.324 CCCCCCCCCOC(C)C(=O)NC 7a_100000210712_100000209862 [0,2,0,0,0,0|2,0,0]=4 8791 B15R0.324 CCCCCCCCCOC(C)C(=O)NN 34a_100000725659_100011214924 [0,2,0,0,0,0|2,0,0]=4 8792 B15R0.324 CCCCCCCCCOC(C)C(=O)OC 34a_100000210712_100000211248 [0,2,0,0,0,0|2,0,0]=4 8793 B15R0.324 CCCCCCCCCOC(C)C(=O)OC 34a_100011215400_100011214924 [0,2,0,0,0,0|2,0,0]=4 8794 B15R0.324 CCCCCCCCCOC(C)C(=O)OC 7a_100000210712_100000211248 [0,2,0,0,0,0|2,0,0]=4 8795 B15R0.324 CCCCCCCCCOC(F)C(=O)NC 34a_100000210712_100009813575 [0,2,0,0,0,0|2,0,0]=4 8796 B15R0.324 CCCCCCCCCOC(F)C(=O)NC 7a_100000210712_100009813575 [0,2,0,0,0,0|2,0,0]=4 8797 B15R0.324 CCCCCCCCCSC(C)C(=O)CC 62a_100000742827_100000210670 [0,2,0,0,0,0|2,0,0]=4 8798 B15R0.324 CCCCCCCCCSC(C)C(=O)NC 62a_100000209862_100000210670 [0,2,0,0,0,0|2,0,0]=4 8799 B15R0.324 CCCCCCCCCSC(C)C(=O)OC 62a_100000211248_100000210670 [0,2,0,0,0,0|2,0,0]=4 8800 B15R0.324 CCCCCCCCCSC(F)C(=O)NC 62a_100009813575_100000210670 [0,2,0,0,0,0|2,0,0]=4 8801 B15R0.324 CCCCCCCCNCC(C)C(=O)NC 2230a_100015187722_100000210759 [0,2,0,0,0,0|2,0,0]=4 8802 B15R0.324 CCCCCCCCNCC(C)C(=O)NC 34a_100015187722_100000210759 [0,2,0,0,0,0|2,0,0]=4 8803 B15R0.324 CCCCCCCCNCC(C)C(=O)OC 34a_100000229939_100000698445 [0,2,0,0,0,0|2,0,0]=4 8804 B15R0.324 CCCCCCCCOCC(C)C(=O)OC 34a_100000210232_100000698445 [0,2,0,0,0,0|2,0,0]=4 8805 B15R0.324 CCCCCCCCOCC(C)C(=O)OC 34a_100000749362_100000210759 [0,2,0,0,0,0|2,0,0]=4 8806 B15R0.324 CCCCCCCCOCC(C)C(=O)OC 7a_100000749362_100000210759 [0,2,0,0,0,0|2,0,0]=4 8807 B15R0.324 CCCCCCCCOCC(F)C(=O)OC 34a_200009849844_100000210759 [0,2,0,0,0,0|2,0,0]=4 8808 B15R0.324 CCCCCCCCOCC(N)C(=O)NN 34a_100016989258_100000210759 [0,2,0,0,0,0|2,0,0]=4 8809 B15R0.324 CCCCCCCCOC[C@@H](N)C(=O)OC 34a_100000003586_100000210759 [0,2,0,0,0,0|2,0,0]=4 8810 B15R0.324 CCCCCCCCSCC(C)C(=O)OC 62a_100000210759_100000698445 [0,2,0,0,0,0|2,0,0]=4 8811 B15R0.324 CCCCCCCCSCC(C)C(=O)OC 62a_100000698445_100000210317 [0,2,0,0,0,0|2,0,0]=4 8812 B15R0.324 CCCCCCCNCCC(C)C(=O)OC 2230a_100000229938_100000034942 [0,2,0,0,0,0|2,0,0]=4 8813 B15R0.324 CCCCCCCOCCC(C)C(=O)OC 34a_100000210272_100000034942 [0,2,0,0,0,0|2,0,0]=4 8814 B15R0.324 CCCCCCCOCCC(C)C(=O)OC 7a_100000210272_100000034942 [0,2,0,0,0,0|2,0,0]=4 8815 B15R0.324 CCCCCCCSCCC(C)C(=O)OC 62a_100000034942_100000210316 [0,2,0,0,0,0|2,0,0]=4 8816 B15R0.324 CCCCCCCSCCC(C)C(=O)OC 62a_100000210614_100000034942 [0,2,0,0,0,0|2,0,0]=4 8817 B15R0.366 C#CCC(=O)CCCCCCCCCCC 1458a_100000210736_100000184674 [0,2,0,0,0,0|1,0,0]=3 8818 B15R0.366 C#CCC(=O)CCCCCCCCCCC 1458a_100011220946_100011215454 [0,2,0,0,0,0|1,0,0]=3 8819 B15R0.366 C#CCC(=O)CCCCCCCCCCO 1458a_100011220946_100009813290 [0,2,0,0,0,0|2,0,0]=4 8820 B15R0.366 C#CCC(=O)NCCCCCCCCCC 1626a_100000684558_100011220946 [0,2,0,0,0,0|2,0,0]=4 8821 B15R0.366 C#CCC(=O)NCCCCCCCCCC 527a_100000684558_100011220946 [0,2,0,0,0,0|2,0,0]=4 8822 B15R0.366 C=CCC(=O)CCCCCCCCCCO 1458a_100000210193_100009813290 [0,2,0,0,0,0|2,0,0]=4 8823 B15R0.366 C=CCC(=O)NCCCCCCCCCC 11a_100000684558_100000210193 [0,2,0,0,0,0|2,0,0]=4 8824 B15R0.366 C=CCC(=O)NCCCCCCCCCC 1626a_100000684558_100000210193 [0,2,0,0,0,0|2,0,0]=4 8825 B15R0.366 C=CCC(=O)NCCCCCCCCCC 240690a_100000684558_100000210193 [0,2,0,0,0,0|2,0,0]=4 8826 B15R0.366 C=CCC(=O)NCCCCCCCCCC 527a_100000684558_100000210193 [0,2,0,0,0,0|2,0,0]=4 8827 B15R0.366 C=COC(=O)CNCCCCCCCCC 2230a_100000212291_100000036128 [0,2,0,0,0,0|2,0,0]=4 8828 B15R0.366 C=COC(=O)CNCCCCCCCCC 34a_100000212291_100000036128 [0,2,0,0,0,0|2,0,0]=4 8829 B15R0.366 C=COC(=O)COCCCCCCCCC 34a_100000210712_100000036128 [0,2,0,0,0,0|2,0,0]=4 8830 B15R0.366 C=COC(=O)CSCCCCCCCCC 62a_100000036128_100000210670 [0,2,0,0,0,0|2,0,0]=4 8831 B15R0.366 CC#CC(=O)CCCCCCCCCCC 1458a_100000763181_100011215454 [0,2,0,0,0,0|1,0,0]=3 8832 B15R0.366 CC#CC(=O)CCCCCCCCCCO 1458a_100000763181_100009813290 [0,2,0,0,0,0|2,0,0]=4 8833 B15R0.366 CC=CC(=O)CCCCCCCCCCO 1458a_100000210699_100009813290 [0,2,0,0,0,0|2,0,0]=4 8834 B15R0.366 CC=CC(=O)NCCCCCCCCCC 11a_100000684558_100000210699 [0,2,0,0,0,0|2,0,0]=4 8835 B15R0.366 CC=CC(=O)NCCCCCCCCCC 1626a_100000684558_100000210699 [0,2,0,0,0,0|2,0,0]=4 8836 B15R0.366 CC=CC(=O)NCCCCCCCCCC 240690a_100000684558_100000210699 [0,2,0,0,0,0|2,0,0]=4 8837 B15R0.366 CCCC(=O)CCCCCCCCCCO 1458a_100000211992_100009813290 [0,2,0,0,0,0|2,0,0]=4 8838 B15R0.366 CCCCCCCCCCCC(=O)CC#N 1458a_100000210736_100011214920 [0,2,0,0,0,0|1,0,0]=3 8839 B15R0.366 CCCCCCCCCCCC(=O)CC#N 1458a_100051588842_100011215454 [0,2,0,0,0,0|1,0,0]=3 8840 B15R0.366 CCCCCCCCCCCC(=O)CCF 1458a_100000210736_100011217306 [0,2,0,0,0,0|0,1,0]=3 8841 B15R0.366 CCCCCCCCCCCC(=O)CCO 1458a_100000210736_100000211926 [0,2,0,0,0,0|1,0,0]=3 8842 B15R0.366 CCCCCCCCCCCC(=O)CCO 1458a_100011216618_100011215454 [0,2,0,0,0,0|1,0,0]=3 8843 B15R0.366 CCCCCCCCCCCC(=O)COC 1458a_100000210968_100011215454 [0,2,0,0,0,0|1,0,0]=3 8844 B15R0.366 CCCCCCCCCCCC(=O)CSC 1458a_100000184570_100011215454 [0,2,0,0,0,0|1,0,0]=3 8845 B15R0.366 CCCCCCCCCCCC(=O)NCC 11a_100015525214_100000210736 [0,2,0,0,0,0|1,0,0]=3 8846 B15R0.366 CCCCCCCCCCCC(=O)NCC 240690a_100015525214_100000210736 [0,2,0,0,0,0|1,0,0]=3 8847 B15R0.366 CCCCCCCCCCCC(=O)NNC 22a_100016993582_100000210736 [0,2,0,0,0,0|1,0,0]=3 8848 B15R0.366 CCCCCCCCCCNC(=O)C=CBr 1626a_100000684558_100016273825 [0,2,0,0,0,0|1,1,0]=4 8849 B15R0.366 CCCCCCCCCCNC(=O)C=CBr 240690a_100000684558_100016273825 [0,2,0,0,0,0|1,1,0]=4 8850 B15R0.366 CCCCCCCCCCNC(=O)C=CCl 11a_100000684558_200016279998 [0,2,0,0,0,0|1,0,0]=3 8851 B15R0.366 CCCCCCCCCCNC(=O)C=CCl 1626a_100000684558_200016279998 [0,2,0,0,0,0|1,0,0]=3 8852 B15R0.366 CCCCCCCCCCNC(=O)C=CCl 240690a_100000684558_200016279998 [0,2,0,0,0,0|1,0,0]=3 8853 B15R0.366 CCCCCCCCCCNC(=O)C=CI 1626a_100000684558_100016256311 [0,2,0,0,0,0|1,1,0]=4 8854 B15R0.366 CCCCCCCCCCNC(=O)CC#N 1626a_100000684558_100051588842 [0,2,0,0,0,0|2,0,0]=4 8855 B15R0.366 CCCCCCCCCCNC(=O)CC#N 240690a_100000684558_100051588842 [0,2,0,0,0,0|2,0,0]=4 8856 B15R0.366 CCCCCCCCCCNC(=O)CCC 11a_100000684558_100000211992 [0,2,0,0,0,0|2,0,0]=4 8857 B15R0.366 CCCCCCCCCCNC(=O)CCC 1626a_100000684558_100000211992 [0,2,0,0,0,0|2,0,0]=4 8858 B15R0.366 CCCCCCCCCCNC(=O)CCC 240690a_100000684558_100000211992 [0,2,0,0,0,0|2,0,0]=4 8859 B15R0.366 CCCCCCCCCCNC(=O)CCC 527a_100000684558_100000211992 [0,2,0,0,0,0|2,0,0]=4 8860 B15R0.366 CCCCCCCCCCNC(=O)CCO 240690a_100000684558_100011216618 [0,2,0,0,0,0|2,0,0]=4 8861 B15R0.366 CCCCCCCCCCNC(=O)COC 11a_100000684558_100000210968 [0,2,0,0,0,0|2,0,0]=4 8862 B15R0.366 CCCCCCCCCCNC(=O)COC 1626a_100000684558_100000210968 [0,2,0,0,0,0|2,0,0]=4 8863 B15R0.366 CCCCCCCCCCNC(=O)COC 240690a_100000684558_100000210968 [0,2,0,0,0,0|2,0,0]=4 8864 B15R0.366 CCCCCCCCCCNC(=O)COC 527a_100000684558_100000210968 [0,2,0,0,0,0|2,0,0]=4 8865 B15R0.366 CCCCCCCCCCNC(=O)CSC 11a_100000684558_100000184570 [0,2,0,0,0,0|2,0,0]=4 8866 B15R0.366 CCCCCCCCCCNC(=O)CSC 1626a_100000684558_100000184570 [0,2,0,0,0,0|2,0,0]=4 8867 B15R0.366 CCCCCCCCCCNC(=O)CSC 240690a_100000684558_100000184570 [0,2,0,0,0,0|2,0,0]=4 8868 B15R0.366 CCCCCCCCCCNC(=O)CSC 527a_100000684558_100000184570 [0,2,0,0,0,0|2,0,0]=4 8869 B15R0.366 CCCCCCCCCCNC(=O)NCC 2708a_100000684558_100015525214 [0,2,0,0,0,0|2,0,0]=4 8870 B15R0.366 CCCCCCCCCCNC(=O)NCC 2708a_100015525214_100000684558 [0,2,0,0,0,0|2,0,0]=4 8871 B15R0.366 CCCCCCCCCCNC(=O)NCC 273464a_100000684558_100015525214 [0,2,0,0,0,0|2,0,0]=4 8872 B15R0.366 CCCCCCCCCCNC(=O)NCC 273464a_100015525214_100000684558 [0,2,0,0,0,0|2,0,0]=4 8873 B15R0.366 CCCCCCCCCCNC(=O)NCC 512a_100000684558_100015525214 [0,2,0,0,0,0|2,0,0]=4 8874 B15R0.366 CCCCCCCCCCNC(=O)NCC 512a_100015525214_100000684558 [0,2,0,0,0,0|2,0,0]=4 8875 B15R0.366 CCCCCCCCCCNC(=O)NNC 273464a_100000684558_100016993582 [0,2,0,0,0,0|2,0,0]=4 8876 B15R0.366 CCCCCCCCCCNC(=O)NNC 512a_100000684558_100016993582 [0,2,0,0,0,0|2,0,0]=4 8877 B15R0.366 CCCCCCCCCCNC(=O)NNC 512a_100016993582_100000684558 [0,2,0,0,0,0|2,0,0]=4 8878 B15R0.366 CCCCCCCCCCOC(=O)CNC 2230a_106832991635_100000210668 [0,2,0,0,0,0|2,0,0]=4 8879 B15R0.366 CCCCCCCCCCOC(=O)CNC 34a_100102657272_100000210668 [0,2,0,0,0,0|2,0,0]=4 8880 B15R0.366 CCCCCCCCCCOC(=O)CNC 7a_106832991635_100000210668 [0,2,0,0,0,0|2,0,0]=4 8881 B15R0.366 CCCCCCCCCCOC(=O)COC 34a_100138415774_100000210668 [0,2,0,0,0,0|2,0,0]=4 8882 B15R0.366 CCCCCCCCCCOC(=O)CSC 62a_100000680656_200000210301 [0,2,0,0,0,0|2,0,0]=4 8883 B15R0.366 CCCCCCCCCCOC(=O)CSC 62a_200000210301_100000680656 [0,2,0,0,0,0|2,0,0]=4 8884 B15R0.366 CCCCCCCCCCOC(=O)CS[13CH3] 62a_100000680656_200025704644 [0,2,0,0,0,0|2,0,0]=4 8885 B15R0.366 CCCCCCCCCCOC(=O)CS[13CH3] 62a_200025704644_100000680656 [0,2,0,0,0,0|2,0,0]=4 8886 B15R0.366 CCCCCCCCCNCC(=O)CCC 2230a_100000212291_100000747444 [0,2,0,0,0,0|2,0,0]=4 8887 B15R0.366 CCCCCCCCCNCC(=O)NCC 2230a_100000212291_100000183381 [0,2,0,0,0,0|2,0,0]=4 8888 B15R0.366 CCCCCCCCCNCC(=O)NCC 2230a_100016988866_100011214924 [0,2,0,0,0,0|2,0,0]=4 8889 B15R0.366 CCCCCCCCCNCC(=O)NCC 34a_100000212291_100000183381 [0,2,0,0,0,0|2,0,0]=4 8890 B15R0.366 CCCCCCCCCNCC(=O)NCO 2230a_100000212291_100000185155 [0,2,0,0,0,0|2,0,0]=4 8891 B15R0.366 CCCCCCCCCNCC(=O)NCO 34a_100000212291_100000185155 [0,2,0,0,0,0|2,0,0]=4 8892 B15R0.366 CCCCCCCCCNCC(=O)OCC 2230a_100000212291_100000188475 [0,2,0,0,0,0|2,0,0]=4 8893 B15R0.366 CCCCCCCCCNCC(=O)OCC 34a_100000212291_100000188475 [0,2,0,0,0,0|2,0,0]=4 8894 B15R0.366 CCCCCCCCCOCC(=O)CCC 7a_100000210712_100000747444 [0,2,0,0,0,0|2,0,0]=4 8895 B15R0.366 CCCCCCCCCOCC(=O)NCC 34a_100000210712_100000183381 [0,2,0,0,0,0|2,0,0]=4 8896 B15R0.366 CCCCCCCCCOCC(=O)NCC 7a_100000210712_100000183381 [0,2,0,0,0,0|2,0,0]=4 8897 B15R0.366 CCCCCCCCCOCC(=O)NCO 34a_100000210712_100000185155 [0,2,0,0,0,0|2,0,0]=4 8898 B15R0.366 CCCCCCCCCOCC(=O)NCO 7a_100000210712_100000185155 [0,2,0,0,0,0|2,0,0]=4 8899 B15R0.366 CCCCCCCCCOCC(=O)OCC 34a_100000210712_100000188475 [0,2,0,0,0,0|2,0,0]=4 8900 B15R0.366 CCCCCCCCCOCC(=O)OCC 7a_100000210712_100000188475 [0,2,0,0,0,0|2,0,0]=4 8901 B15R0.366 CCCCCCCCCSCC(=O)CCC 62a_100000747444_100000210670 [0,2,0,0,0,0|2,0,0]=4 8902 B15R0.366 CCCCCCCCCSCC(=O)NCC 62a_100000183381_100000210670 [0,2,0,0,0,0|2,0,0]=4 8903 B15R0.366 CCCCCCCCCSCC(=O)NCO 62a_100000185155_100000210670 [0,2,0,0,0,0|2,0,0]=4 8904 B15R0.366 CCCCCCCCCSCC(=O)OCC 62a_100000188475_100000210670 [0,2,0,0,0,0|2,0,0]=4 8905 B15R0.366 CCCCCCCCNCCC(=O)NCC 2230a_100000229939_100000737597 [0,2,0,0,0,0|2,0,0]=4 8906 B15R0.366 CCCCCCCCNCCC(=O)NCC 34a_100025743525_100000210759 [0,2,0,0,0,0|2,0,0]=4 8907 B15R0.366 CCCCCCCCNCCC(=O)OCC 2230a_100000229939_100011206558 [0,2,0,0,0,0|2,0,0]=4 8908 B15R0.366 CCCCCCCCNCCC(=O)OCC 34a_100000229939_100000765890 [0,2,0,0,0,0|2,0,0]=4 8909 B15R0.366 CCCCCCCCOCCC(=O)NCC 7a_100000210232_100000737597 [0,2,0,0,0,0|2,0,0]=4 8910 B15R0.366 CCCCCCCCOCCC(=O)OCC 34a_100000210232_100000765890 [0,2,0,0,0,0|2,0,0]=4 8911 B15R0.366 CCCCCCCCOCCC(=O)OCC 7a_100000210232_100011206558 [0,2,0,0,0,0|2,0,0]=4 8912 B15R0.366 CCCCCCCCSCCC(=O)NCC 62a_100000210759_100000737597 [0,2,0,0,0,0|2,0,0]=4 8913 B15R0.366 CCCCCCCCSCCC(=O)NCC 62a_100000737597_100000210317 [0,2,0,0,0,0|2,0,0]=4 8914 B15R0.366 CCCCCCCCSCCC(=O)OCC 62a_100000210759_100000765890 [0,2,0,0,0,0|2,0,0]=4 8915 B15R0.366 CCCCCCCCSCCC(=O)OCC 62a_100000765890_100000210317 [0,2,0,0,0,0|2,0,0]=4 8916 B15R0.366 CCCCCCCNCCCC(=O)OCC 2230a_100000229938_100009991533 [0,2,0,0,0,0|2,0,0]=4 8917 B15R0.366 CCCCCCCOCCCC(=O)OCC 34a_100000210272_100009991533 [0,2,0,0,0,0|2,0,0]=4 8918 B15R0.366 CCCCCCCOCCCC(=O)OCC 7a_100000210272_100011215271 [0,2,0,0,0,0|2,0,0]=4 8919 B15R0.366 CCCCCCCOCCCC(=O)OCC 7a_100012001163_100000210614 [0,2,0,0,0,0|2,0,0]=4 8920 B15R0.366 CCCCCCCSCCCC(=O)OCC 62a_100000210614_100009991533 [0,2,0,0,0,0|2,0,0]=4 8921 B15R0.366 CCCCCCCSCCCC(=O)OCC 62a_100009991533_100000210316 [0,2,0,0,0,0|2,0,0]=4 8922 B15R0.366 CCCCCCNCCCCC(=O)OCC 2230a_100000210581_100000750268 [0,2,0,0,0,0|2,0,0]=4 8923 B15R0.366 CCCCCCOCCCCC(=O)OCC 34a_100000210259_100000750268 [0,2,0,0,0,0|2,0,0]=4 8924 B15R0.366 CCCCCCOCCCCC(=O)OCC 7a_100000210259_100000750268 [0,2,0,0,0,0|2,0,0]=4 8925 B15R0.366 CCCCCCSCCCCC(=O)OCC 62a_100000210314_100000750268 [0,2,0,0,0,0|2,0,0]=4 8926 B15R0.366 CCCCCCSCCCCC(=O)OCC 62a_100000750268_100000210757 [0,2,0,0,0,0|2,0,0]=4 8927 B15R0.366 CCCCCNCCCCCC(=O)OCC 2230a_100000209983_100000755133 [0,2,0,0,0,0|2,0,0]=4 8928 B15R0.366 CCCCCOCCCCCC(=O)OCC 34a_100000210253_100000755133 [0,2,0,0,0,0|2,0,0]=4 8929 B15R0.366 CCCCCOCCCCCC(=O)OCC 7a_100000210253_100000755133 [0,2,0,0,0,0|2,0,0]=4 8930 B15R0.366 CCCCCOCCCCCC(=O)OCC 7a_100011214988_100000210326 [0,2,0,0,0,0|2,0,0]=4 8931 B15R0.366 CCCCCSCCCCCC(=O)OCC 62a_100000210326_100000755133 [0,2,0,0,0,0|2,0,0]=4 8932 B15R0.366 CCCCCSCCCCCC(=O)OCC 62a_100000755133_100000210326 [0,2,0,0,0,0|2,0,0]=4 8933 B15R0.366 CCCCNCCCCCCC(=O)OCC 2230a_100000102301_100009814379 [0,2,0,0,0,0|2,0,0]=4 8934 B15R0.366 CCCCNCCCCCCC(=O)OCC 7a_106832991798_100009814379 [0,2,0,0,0,0|2,0,0]=4 8935 B15R0.366 CCCCOCCCCCCC(=O)OCC 34a_100000210227_100009814379 [0,2,0,0,0,0|2,0,0]=4 8936 B15R0.366 CCCCOCCCCCCC(=O)OCC 7a_100000210227_100009814379 [0,2,0,0,0,0|2,0,0]=4 8937 B15R0.366 CCCCSCCCCCCC(=O)OCC 62a_100000210211_100009814379 [0,2,0,0,0,0|2,0,0]=4 8938 B15R0.366 CCCOCCCCCCCC(=O)OCC 34a_100000210258_100009991516 [0,2,0,0,0,0|2,0,0]=4 8939 B15R0.366 CCCSCCCCCCCC(=O)OCC 62a_100000210303_100009991516 [0,2,0,0,0,0|2,0,0]=4 8940 B15R0.366 CCNC(=O)CCCCCCCCCCO 240690a_100015525214_200000016029 [0,2,0,0,0,0|2,0,0]=4 8941 B15R0.366 CCNCCCCCCCCC(=O)OCC 2230a_100015525214_100010175975 [0,2,0,0,0,0|2,0,0]=4 8942 B15R0.366 CCOC(=O)CCCCCCCCCNC 2230a_106832991635_100009828014 [0,2,0,0,0,0|2,0,0]=4 8943 B15R0.366 CCOC(=O)CCCCCCCCCNC 34a_100102657272_100009828014 [0,2,0,0,0,0|2,0,0]=4 8944 B15R0.366 CCOC(=O)CCCCCCCCCNC 7a_106832991635_100009828014 [0,2,0,0,0,0|2,0,0]=4 8945 B15R0.366 CCOC(=O)CCCCCCCCCOC 34a_100138415774_100009828014 [0,2,0,0,0,0|2,0,0]=4 8946 B15R0.366 CCOC(=O)CCCCCCCCCSC 62a_200000210301_100009828014 [0,2,0,0,0,0|2,0,0]=4 8947 B15R0.366 CCOC(=O)CCCCCCCCCS[13CH3] 62a_200025704644_100009828014 [0,2,0,0,0,0|2,0,0]=4 8948 B15R0.366 CCOC(=O)CCCCCCCCSCC 62a_100000210202_100010175975 [0,2,0,0,0,0|2,0,0]=4 8949 B15R0.366 CCOCCCCCCCCC(=O)OCC 34a_100121572206_100010175975 [0,2,0,0,0,0|2,0,0]=4 8950 B15R0.366 CNNC(=O)CCCCCCCCCCO 22a_100016993582_200000016029 [0,2,0,0,0,0|2,0,0]=4 8951 B15R0.366 COCC(=O)CCCCCCCCCCO 1458a_100000210968_100009813290 [0,2,0,0,0,0|2,0,0]=4 8952 B15R0.366 CSCC(=O)CCCCCCCCCCO 1458a_100000184570_100009813290 [0,2,0,0,0,0|2,0,0]=4 8953 B15R0.366 N#CCC(=O)CCCCCCCCCCO 1458a_100051588842_100009813290 [0,2,0,0,0,0|2,0,0]=4 8954 B15R0.366 O=C(C=CBr)CCCCCCCCCCO 1458a_100016273825_100009813290 [0,2,0,0,0,0|1,1,0]=4 8955 B15R0.366 O=C(C=CCl)CCCCCCCCCCO 1458a_200016279998_100009813290 [0,2,0,0,0,0|1,0,0]=3 8956 B15R0.366 O=C(C=CCl)NCCCCCCCCCO 240690a_100000078944_200016279998 [0,2,0,0,0,0|2,0,0]=4 8957 B15R0.366 O=C(C=CI)CCCCCCCCCCO 1458a_100016256311_100009813290 [0,2,0,0,0,0|1,1,0]=4 8958 B15R0.366 O=C(CCO)CCCCCCCCCCO 1458a_100011216618_100009813290 [0,2,0,0,0,0|2,0,0]=4 8959 B15R0.384 CCCC(=O)CCCCCCCC(=O)OC 1458a_100000033222_100000210303 [0,2,0,0,0,0|1,0,1]=4 8960 B15R0.384 CCCC(=O)CCCCCCCC(=O)OC 1458a_100000211992_100010004213 [0,2,0,0,0,0|1,0,1]=4 8961 B15R0.384 CCCC(C)CCCOCCCC(=O)NC 34a_100011713154_100000741757 [0,2,0,0,0,0|2,0,0]=4 8962 B15R0.384 CCCC(C)CCCOCCCC(=O)NC 7a_100011713154_100000741757 [0,2,0,0,0,0|2,0,0]=4 8963 B15R0.384 CCCC(C)CCCOCCCC(=O)OC 34a_100011713154_100000742333 [0,2,0,0,0,0|2,0,0]=4 8964 B15R0.384 CCCC(C)CCCOCCCC(=O)OC 7a_100011713154_100011218270 [0,2,0,0,0,0|2,0,0]=4 8965 B15R0.384 CCCC(C)CCOCCCCC(=O)OC 34a_100011217855_100000204269 [0,2,0,0,0,0|2,0,0]=4 8966 B15R0.384 CCCC(C)CCOCCCCC(=O)OC 7a_100011217855_100000204269 [0,2,0,0,0,0|2,0,0]=4 8967 B15R0.384 CCCC(C)COCCCCCC(=O)OC 34a_100000074720_100011216630 [0,2,0,0,0,0|2,0,0]=4 8968 B15R0.384 CCCC(C)COCCCCCC(=O)OC 34a_100000688023_100009816466 [0,2,0,0,0,0|2,0,0]=4 8969 B15R0.384 CCCC(C)COCCCCCC(=O)OC 7a_100000074720_100011216630 [0,2,0,0,0,0|2,0,0]=4 8970 B15R0.384 CCCC(C)COCCCCCC(=O)OC 7a_100000688023_100009816466 [0,2,0,0,0,0|2,0,0]=4 8971 B15R0.384 CCCC(C)CSCCCCCC(=O)OC 62a_100009816466_100011216630 [0,2,0,0,0,0|2,0,0]=4 8972 B15R0.384 CCCC(C)CSCCCCCC(=O)OC 62a_100011216630_100009816466 [0,2,0,0,0,0|2,0,0]=4 8973 B15R0.384 CCCC(C)NCCCCCCC(=O)OC 2230a_100000741246_100009815986 [0,2,0,0,0,0|2,0,0]=4 8974 B15R0.384 CCCC(C)OCCCCCCC(=O)OC 34a_100000764384_100009815986 [0,2,0,0,0,0|2,0,0]=4 8975 B15R0.384 CCCC(C)OCCCCCCC(=O)OC 34a_100009863599_100000766640 [0,2,0,0,0,0|2,0,0]=4 8976 B15R0.384 CCCC(C)OCCCCCCC(=O)OC 7a_100000764384_100009815986 [0,2,0,0,0,0|2,0,0]=4 8977 B15R0.384 CCCC(C)OCCCCCCC(=O)OC 7a_100009863599_100000766640 [0,2,0,0,0,0|2,0,0]=4 8978 B15R0.384 CCCC(C)SCCCCCCC(=O)OC 62a_100000766640_100009815986 [0,2,0,0,0,0|2,0,0]=4 8979 B15R0.384 CCCC(C)SCCCCCCC(=O)OC 62a_100009815986_100000766640 [0,2,0,0,0,0|2,0,0]=4 8980 B15R0.384 CCCN(C)CCCCCCCC(=O)OC 2230a_100000747261_100010004213 [0,2,0,0,0,0|2,0,0]=4 8981 B15R0.384 CCCN(C)CCCCCCCC(=O)OC 269982a_100000747261_100010004213 [0,2,0,0,0,0|2,0,0]=4 8982 B15R0.384 CCC[C@H](N)CCOCCCCC(=O)OC 34a_100015193777_100000204269 [0,2,0,0,0,0|2,0,0]=4 8983 B15R0.384 CCC[C@H](N)COCCCCCC(=O)OC 34a_100000732646_100009816466 [0,2,0,0,0,0|2,0,0]=4 8984 B15R0.2405 CCCCCCCCC(=O)CCC(=O)NC 1458a_100011309844_100000210759 [0,2,0,0,0,0|1,0,1]=4 8985 B15R0.2405 CCCCCCCCC(=O)CCC(=O)OC 1458a_100000187943_100000210759 [0,2,0,0,0,0|1,0,1]=4 8986 B15R0.2405 CCCCCCCCC(C)NCC(=O)NC 270004a_100000693194_100011216694 [0,2,0,0,0,0|2,0,0]=4 8987 B15R0.2405 CCCCCCCCC(C)OCC(=O)CC 7a_100000210740_100000747405 [0,2,0,0,0,0|2,0,0]=4 8988 B15R0.2405 CCCCCCCCC(C)OCC(=O)NC 34a_100000210740_100000183359 [0,2,0,0,0,0|2,0,0]=4 8989 B15R0.2405 CCCCCCCCC(C)OCC(=O)NC 7a_100000210740_100000183359 [0,2,0,0,0,0|2,0,0]=4 8990 B15R0.2405 CCCCCCCCC(C)OCC(=O)OC 34a_100000210740_100000747449 [0,2,0,0,0,0|2,0,0]=4 8991 B15R0.2405 CCCCCCCCC(C)OCC(=O)OC 7a_100000210740_100000747449 [0,2,0,0,0,0|2,0,0]=4 8992 B15R0.2405 CCCCCCCCN(C)CCC(=O)NC 2230a_100000207567_100000737683 [0,2,0,0,0,0|2,0,0]=4 8993 B15R0.2405 CCCCCCCCN(C)CCC(=O)NC 2230a_100000750875_100000210759 [0,2,0,0,0,0|2,0,0]=4 8994 B15R0.2405 CCCCCCCCN(C)CCC(=O)NC 269982a_100000207567_100000737683 [0,2,0,0,0,0|2,0,0]=4 8995 B15R0.2405 CCCCCCCCN(C)CCC(=O)NC 269982a_100000750875_100000210759 [0,2,0,0,0,0|2,0,0]=4 8996 B15R0.2405 CCCCCCCCN(C)CCC(=O)OC 2230a_100000207567_100000204255 [0,2,0,0,0,0|2,0,0]=4 8997 B15R0.2405 CCCCCCCCN(C)CCC(=O)OC 269982a_100000207567_100000204255 [0,2,0,0,0,0|2,0,0]=4 8998 B15R0.2405 CCCCCCCCN(C)CCC(=O)OC 269982a_100025711912_100000210759 [0,2,0,0,0,0|2,0,0]=4 8999 B15R0.3221 CCCCCCCCCC(=O)CC(=O)CC 1458a_100000210558_100000747405 [0,2,0,0,0,0|1,0,1]=4 9000 B15R0.3221 CCCCCCCCCC(=O)CC(=O)NC 1458a_100000210558_100000183359 [0,2,0,0,0,0|1,0,1]=4 9001 B15R0.3221 CCCCCCCCCC(=O)CC(=O)OC 1458a_100000210558_100000747449 [0,2,0,0,0,0|1,0,1]=4 9002 B15R0.3221 CCCCCCCCCC(=O)CC(=O)OC 1458a_100000211351_100000210670 [0,2,0,0,0,0|1,0,1]=4 9003 B15R0.3221 CCCCCCCCCC(O)CC(=O)NC 1626a_100102657272_200012339438 [0,2,0,0,0,0|1,0,0]=3 9004 B15R0.3221 CCCCCCCCCC(O)CC(=O)NC 240690a_100102657272_200012339438 [0,2,0,0,0,0|1,0,0]=3 9005 B15R0.3221 CCCCCCCCCN(C)CC(=O)CC 269982a_100000232482_100000747405 [0,2,0,0,0,0|2,0,0]=4 9006 B15R0.3221 CCCCCCCCCN(C)CC(=O)NC 2230a_100000189611_100011214924 [0,2,0,0,0,0|2,0,0]=4 9007 B15R0.3221 CCCCCCCCCN(C)CC(=O)NC 2230a_100000232482_100000183359 [0,2,0,0,0,0|2,0,0]=4 9008 B15R0.3221 CCCCCCCCCN(C)CC(=O)NC 269982a_100000232482_100000183359 [0,2,0,0,0,0|2,0,0]=4 9009 B15R0.3221 CCCCCCCCCN(C)CC(=O)OC 2230a_100000198492_100011214924 [0,2,0,0,0,0|2,0,0]=4 9010 B15R0.3221 CCCCCCCCCN(C)CC(=O)OC 2230a_100000232482_100000747449 [0,2,0,0,0,0|2,0,0]=4 9011 B15R0.3221 CCCCCCCCCN(C)CC(=O)OC 269982a_100000232482_100000747449 [0,2,0,0,0,0|2,0,0]=4 9012 B15R0.3221 CCCCCCCCNC(C)CC(=O)OC 2230a_100000229939_100009817358 [0,2,0,0,0,0|2,0,0]=4 9013 B15R0.3221 CCCCCCCCNC(C)CC(=O)OC 34a_100000229939_100009817358 [0,2,0,0,0,0|2,0,0]=4 9014 B15R0.3221 CCCCCCCCOC(C)CC(=O)OC 34a_100000210232_100009817358 [0,2,0,0,0,0|2,0,0]=4 9015 B15R0.3221 CCCCCCCCOC(C)CC(=O)OC 7a_100000210232_100009817358 [0,2,0,0,0,0|2,0,0]=4 9016 B15R0.3221 CCCCCCCCSC(C)CC(=O)OC 62a_100000210759_100009817358 [0,2,0,0,0,0|2,0,0]=4 9017 B15R0.3221 CCCCCCCCSC(C)CC(=O)OC 62a_100009817358_100000210317 [0,2,0,0,0,0|2,0,0]=4 9018 B15R0.3221 CCCCCCCOC[C@H](O)CC(=O)OC 34a_100000210272_100000754131 [0,2,0,0,0,0|2,0,0]=4 9019 B15R0.3221 CCCCCCCOC[C@H](O)CC(=O)OC 7a_100000210272_100000754131 [0,2,0,0,0,0|2,0,0]=4 9020 B15R0.3221 CCCCCCCSC[C@H](O)CC(=O)OC 62a_100000210614_100000754131 [0,2,0,0,0,0|2,0,0]=4 9021 B15R0.3221 CCCCCCCSC[C@H](O)CC(=O)OC 62a_100000754131_100000210316 [0,2,0,0,0,0|2,0,0]=4 9022 B15R0.195 CCCCCCC(C)CCOC(C)C(=O)C 7a_200011024964_100000179758 [0,2,0,0,0,0|2,0,0]=4 9023 B15R0.195 CCCCCCC(C)CCOC(C)C(=O)N 34a_200011024964_100000702099 [0,2,0,0,0,0|2,0,0]=4 9024 B15R0.195 CCCCCCC(C)CCOC(C)C(=O)N 7a_200011024964_100000702099 [0,2,0,0,0,0|2,0,0]=4 9025 B15R0.195 CCCCCCC(C)CCOC(F)C(=O)N 34a_200011024964_100009813875 [0,2,0,0,0,0|2,0,0]=4 9026 B15R0.195 CCCCCCC(C)CCOC(F)C(=O)N 7a_200011024964_100009813875 [0,2,0,0,0,0|2,0,0]=4 9027 B15R0.195 CCCCCCC(C)CCOC(F)C(=O)[O-] 34a_200011024964_100020610796 [0,2,0,0,0,0|2,0,0]=4 9028 B15R0.321 CCCCCCCCCC(=O)C(C)C(=O)C 1458a_100000210558_100000179758 [0,2,0,0,0,0|1,0,1]=4 9029 B15R0.321 CCCCCCCCCC(=O)C(C)C(=O)N 1458a_100000210558_100000702099 [0,2,0,0,0,0|1,0,1]=4 9030 B15R0.321 CCCCCCCCCC(=O)C(F)C(=O)N 1458a_100000210558_100009813875 [0,2,0,0,0,0|1,0,1]=4 9031 B15R0.321 CCCCCCCCCC(=O)C(F)C(=O)[O-] 1458a_100000210558_100020610796 [0,2,0,0,0,0|1,0,1]=4 9032 B15R0.321 CCCCCCCCCN(C)C(C)C(=O)C 2230a_100000232482_100009814033 [0,2,0,0,0,0|2,0,0]=4 9033 B15R0.321 CCCCCCCCCN(C)C(C)C(=O)C 269982a_100000232482_100009814033 [0,2,0,0,0,0|2,0,0]=4 9034 B15R0.321 CCCCCCCCCN(C)C(C)C(=O)N 2230a_100000232482_100000702099 [0,2,0,0,0,0|2,0,0]=4 9035 B15R0.321 CCCCCCCCCN(C)C(C)C(=O)N 269982a_100000232482_100000184083 [0,2,0,0,0,0|2,0,0]=4 9036 B15R0.321 CCCCCCCCCN(C)C(C)C(=O)O 269956a_100000749554_100000210670 [0,2,0,0,0,0|2,0,0]=4 9037 B15R0.321 CCCCCCCCCN(C)C(F)C(=O)N 2230a_100000232482_100009813875 [0,2,0,0,0,0|2,0,0]=4 9038 B15R0.321 CCCCCCCCCN(C)C(F)C(=O)N 269982a_100000232482_100009813875 [0,2,0,0,0,0|2,0,0]=4 9039 B15R0.321 CCCCCCCCO[C@H](C)[C@H](N)C(=O)N 34a_100000003557_100000210759 [0,2,0,0,0,0|2,0,0]=4 9040 B15R0.1626 CCCCCCCCCNC(C)(C)C(=O)N 2230a_100000212291_100000702505 [0,2,0,0,0,0|2,0,0]=4 9041 B15R0.1626 CCCCCCCCCNC(C)(C)C(=O)N 2230a_100000743658_100011214924 [0,2,0,0,0,0|2,0,0]=4 9042 B15R0.1626 CCCCCCCCCNC(C)(C)C(=O)N 34a_100000212291_100000702505 [0,2,0,0,0,0|2,0,0]=4 9043 B15R0.1626 CCCCCCCCCNC(C)(C)C(=O)N 34a_100000743658_100011214924 [0,2,0,0,0,0|2,0,0]=4 9044 B15R0.1626 CCCCCCCCCNC(F)(F)C(=O)[O-] 34a_100000212291_100020612412 [0,2,0,0,0,0|2,0,0]=4 9045 B15R0.1626 CCCCCCCCCOC(C)(C)C(=O)C 34a_100000747739_100011214924 [0,2,0,0,0,0|2,0,0]=4 9046 B15R0.1626 CCCCCCCCCOC(C)(C)C(=O)C 7a_100000210712_100000075568 [0,2,0,0,0,0|2,0,0]=4 9047 B15R0.1626 CCCCCCCCCOC(C)(C)C(=O)C 7a_100000747739_100000210328 [0,2,0,0,0,0|2,0,0]=4 9048 B15R0.1626 CCCCCCCCCOC(C)(C)C(=O)N 34a_100000210712_100000702505 [0,2,0,0,0,0|2,0,0]=4 9049 B15R0.1626 CCCCCCCCCOC(C)(C)C(=O)N 34a_100011626353_100011214924 [0,2,0,0,0,0|2,0,0]=4 9050 B15R0.1626 CCCCCCCCCOC(C)(C)C(=O)N 7a_100000210712_100000702505 [0,2,0,0,0,0|2,0,0]=4 9051 B15R0.1626 CCCCCCCCCOC(C)(C)C(=O)N 7a_100011626353_100000210328 [0,2,0,0,0,0|2,0,0]=4 9052 B15R0.1626 CCCCCCCCCOC(F)(F)C(=O)N 7a_100000210712_100009811971 [0,2,0,0,0,0|2,0,0]=4 9053 B15R0.1626 CCCCCCCCCOC(F)(F)C(=O)[O-] 34a_100000210712_100020612412 [0,2,0,0,0,0|2,0,0]=4 9054 B15R0.1626 CCCCCCCCCSC(C)(C)C(=O)C 62a_100000075568_100000210670 [0,2,0,0,0,0|2,0,0]=4 9055 B15R0.1626 CCCCCCCCCSC(C)(C)C(=O)N 62a_100000702505_100000210670 [0,2,0,0,0,0|2,0,0]=4 9056 B15R0.1626 CCCCCCCCCSC(F)(F)C(=O)N 62a_100009811971_100000210670 [0,2,0,0,0,0|2,0,0]=4 9057 B15R0.1626 CCCCCCCCCSC(F)(F)C(=O)[O-] 62a_100000745680_100000210670 [0,2,0,0,0,0|2,0,0]=4 9058 B15R0.1626 CCCCCCCCNCC(C)(C)C(=O)N 2230a_100000740840_100000210759 [0,2,0,0,0,0|2,0,0]=4 9059 B15R0.1626 CCCCCCCCNCC(C)(C)C(=O)N 34a_100000229939_200009895572 [0,2,0,0,0,0|2,0,0]=4 9060 B15R0.1626 CCCCCCCCNCC(C)(C)C(=O)N 34a_100000740840_100000210759 [0,2,0,0,0,0|2,0,0]=4 9061 B15R0.1626 CCCCCCCCNCC(C)(C)C(=O)O 269956a_100000693527_100000210759 [0,2,0,0,0,0|2,0,0]=4 9062 B15R0.1626 CCCCCCCCNCC(F)(F)C(=O)O 269956a_100000734215_100000210759 [0,2,0,0,0,0|2,0,0]=4 9063 B15R0.1626 CCCCCCCCOCC(C)(C)C(=O)N 34a_100000210232_200009895572 [0,2,0,0,0,0|2,0,0]=4 9064 B15R0.1626 CCCCCCCCSCC(C)(C)C(=O)N 62a_100000210759_200009895572 [0,2,0,0,0,0|2,0,0]=4 9065 B15R0.1626 CCCCCCCCSCC(C)(C)C(=O)N 62a_200009895572_100000210317 [0,2,0,0,0,0|2,0,0]=4 9066 B15R0.1997 C=C[C@H](NCCCCCCCCC)C(=O)O 269956a_100016992060_100000210670 [0,2,0,0,0,0|2,0,0]=4 9067 B15R0.1997 CCCCCCCCCNC(C#N)C(=O)N 2230a_100000039599_100011214924 [0,2,0,0,0,0|2,0,0]=4 9068 B15R0.1997 CCCCCCCCCNC(CC)C(=O)N 2230a_100000212291_100000750255 [0,2,0,0,0,0|2,0,0]=4 9069 B15R0.1997 CCCCCCCCCNC(CC)C(=O)N 2230a_100000733705_100011214924 [0,2,0,0,0,0|2,0,0]=4 9070 B15R0.1997 CCCCCCCCCNC(CC)C(=O)N 34a_100000212291_100000750255 [0,2,0,0,0,0|2,0,0]=4 9071 B15R0.1997 CCCCCCCCCNC(CC)C(=O)N 34a_100000733705_100011214924 [0,2,0,0,0,0|2,0,0]=4 9072 B15R0.1997 CCCCCCCCCNC(CO)C(=O)O 269956a_100000187304_100000210670 [0,2,0,0,0,0|2,0,0]=4 9073 B15R0.1997 CCCCCCCCCN[C@@H](CO)C(=O)N 2230a_100000729942_100011214924 [0,2,0,0,0,0|2,0,0]=4 9074 B15R0.1997 CCCCCCCCCN[C@@H](CO)C(=O)N 34a_100000729942_100011214924 [0,2,0,0,0,0|2,0,0]=4 9075 B15R0.1997 CCCCCCCCCN[C@H](CC)C(=O)O 269956a_100000747097_100000210670 [0,2,0,0,0,0|2,0,0]=4 9076 B15R0.1997 CCCCCCCCCOC(CC)C(=O)N 34a_100000210712_100000750255 [0,2,0,0,0,0|2,0,0]=4 9077 B15R0.1997 CCCCCCCCCOC(CC)C(=O)N 7a_100000210712_100000750255 [0,2,0,0,0,0|2,0,0]=4 9078 B15R0.1997 CCCCCCCCCSC(CC)C(=O)N 62a_100000750255_100000210670 [0,2,0,0,0,0|2,0,0]=4 9079 B15R0.3230 CCCCCCCCC(C)N[C@H](C)C(=O)N 270004a_100000119354_100011216694 [0,2,0,0,0,0|2,0,0]=4 9080 B15R0.3230 CCCCCCCCC(C)OC(C)C(=O)C 7a_100000210740_100000179758 [0,2,0,0,0,0|2,0,0]=4 9081 B15R0.3230 CCCCCCCCC(C)OC(C)C(=O)N 34a_100000210740_100000702099 [0,2,0,0,0,0|2,0,0]=4 9082 B15R0.3230 CCCCCCCCC(C)OC(C)C(=O)N 7a_100000210740_100000702099 [0,2,0,0,0,0|2,0,0]=4 9083 B15R0.3230 CCCCCCCCC(C)OC(F)C(=O)N 34a_100000210740_100009813875 [0,2,0,0,0,0|2,0,0]=4 9084 B15R0.3230 CCCCCCCCC(C)OC(F)C(=O)N 7a_100000210740_100009813875 [0,2,0,0,0,0|2,0,0]=4 9085 B15R0.3230 CCCCCCCCC(C)OC(F)C(=O)[O-] 34a_100000210740_100020610796 [0,2,0,0,0,0|2,0,0]=4 9086 B15R0.88 C=C(C)CCC(C)NCCCCCCCC 270004a_100000229939_100011215600 [0,2,0,0,0,0|2,0,0]=4 9087 B15R0.88 C=C(C)CCN(C)CCCCCCCCC 2230a_100000232482_100000730704 [0,2,0,0,0,0|2,0,0]=4 9088 B15R0.88 C=C(C)CCN(C)CCCCCCCCC 269982a_100000232482_100000730704 [0,2,0,0,0,0|2,0,0]=4 9089 B15R0.88 CCCCCCCCCC(=O)CCC(=O)N 1458a_100011215257_100000210670 [0,2,0,0,0,0|1,0,0]=3 9090 B15R0.88 CCCCCCCCCC(=O)CC[N+](=O)[O-] 1458a_200000064761_100000210670 [0,2,0,0,0,0|2,0,0]=4 9091 B15R0.88 CCCCCCCCCC(=O)CNC(=O)C 1458a_100000194580_100000210670 [0,2,0,0,0,0|1,0,1]=4 9092 B15R0.88 CCCCCCCCCC(=O)CNC(=O)N 1458a_100000184981_100000210670 [0,2,0,0,0,0|1,0,1]=4 9093 B15R0.88 CCCCCCCCCC(=O)COC(=O)C 1458a_100000183556_100000210670 [0,2,0,0,0,0|1,0,1]=4 9094 B15R0.88 CCCCCCCCCC(=O)CSC(=O)C 1458a_100000049016_100000210670 [0,2,0,0,0,0|1,0,1]=4 9095 B15R0.88 CCCCCCCCCC(=O)NCC(=O)N 11a_100000711301_100000210558 [0,2,0,0,0,0|1,0,1]=4 9096 B15R0.88 CCCCCCCCCC(=O)NCC(=O)N 240690a_100000711301_100000210558 [0,2,0,0,0,0|1,0,1]=4 9097 B15R0.88 CCCCCCCCCC(=O)NCC(=O)N 527a_100000711301_100000210558 [0,2,0,0,0,0|1,0,1]=4 9098 B15R0.88 CCCCCCCCCC(=O)OCC(=O)C 1458a_100000070787_200010990708 [0,2,0,0,0,0|1,0,1]=4 9099 B15R0.88 CCCCCCCCCC(C)OCC(=O)N 34a_100011218016_100000187820 [0,2,0,0,0,0|1,0,0]=3 9100 B15R0.88 CCCCCCCCCC(C)OCC(=O)N 7a_100011218016_100000187820 [0,2,0,0,0,0|1,0,0]=3 9101 B15R0.88 CCCCCCCCCC(C)OCC(=O)[O-] 34a_100011218016_100020667443 [0,2,0,0,0,0|1,0,0]=3 9102 B15R0.88 CCCCCCCCCC(C)OC[N+](=O)[O-] 34a_100011218016_100000761209 [0,2,0,0,0,0|2,0,0]=4 9103 B15R0.88 CCCCCCCCCN(C)CCC(=O)C 269982a_100000232482_100000053229 [0,2,0,0,0,0|1,0,0]=3 9104 B15R0.88 CCCCCCCCCN(C)CCC(=O)N 2230a_100000232482_100000744528 [0,2,0,0,0,0|1,0,0]=3 9105 B15R0.88 CCCCCCCCCN(C)CCC(=O)N 2230a_100000730477_100011214924 [0,2,0,0,0,0|1,0,0]=3 9106 B15R0.88 CCCCCCCCCN(C)CCC(=O)N 269982a_100000232482_100000744528 [0,2,0,0,0,0|1,0,0]=3 9107 B15R0.88 CCCCCCCCCN(C)COC(=O)C 269982a_100000232482_100000076356 [0,2,0,0,0,0|2,0,0]=4 9108 B15R0.88 CCCCCCCCNC(=O)CCC(=O)N 240690a_100000229939_100011215257 [0,2,0,0,0,0|1,0,1]=4 9109 B15R0.88 CCCCCCCCNC(=O)CCC(=O)N 527a_100000229939_100011215257 [0,2,0,0,0,0|1,0,1]=4 9110 B15R0.88 CCCCCCCCNC(C)COC(=O)C 270004a_100000229939_100000000629 [0,2,0,0,0,0|2,0,0]=4 9111 B15R0.88 CCCCCCCNCC(C)CSC(=O)C 2230a_100000229938_200000116872 [0,2,0,0,0,0|2,0,0]=4 9112 B15R0.88 CCCCCCCOCC(C)CSC(=O)C 34a_100000210272_200000116872 [0,2,0,0,0,0|2,0,0]=4 9113 B15R0.88 CCCCCCCOCC(C)CSC(=O)C 7a_100000210272_200000116872 [0,2,0,0,0,0|2,0,0]=4 9114 B15R0.88 CCCCCCCOCC(O)COC(=O)C 34a_100000210272_200000139349 [0,2,0,0,0,0|2,0,0]=4 9115 B15R0.88 CCCCCCCOCC(O)COC(=O)C 7a_100000210272_200000139349 [0,2,0,0,0,0|2,0,0]=4 9116 B15R0.88 CCCCCCCSCC(C)CSC(=O)C 62a_100000210614_200000116872 [0,2,0,0,0,0|2,0,0]=4 9117 B15R0.88 CCCCCCCSCC(C)CSC(=O)C 62a_200000116872_100000210316 [0,2,0,0,0,0|2,0,0]=4 9118 B15R0.88 CCCCCCCSCC(O)COC(=O)C 62a_100000210614_200000139349 [0,2,0,0,0,0|2,0,0]=4 9119 B15R0.88 CCCCCCCSCC(O)COC(=O)C 62a_200000139349_100000210316 [0,2,0,0,0,0|2,0,0]=4 9120 B15R0.88 CN(CCCCCCCCO)CCC(=O)N 2230a_100000730477_100000033203 [0,2,0,0,0,0|2,0,0]=4 9121 B15R0.88 NC(=O)CCC(=O)CCCCCCCCO 1458a_100011215257_100000033203 [0,2,0,0,0,0|1,0,1]=4 9122 B15R0.3231 CCCCCCCCC(CC)OCC(=O)N 34a_200011216270_100000187820 [0,2,0,0,0,0|2,0,0]=4 9123 B15R0.3231 CCCCCCCCC(CC)OCC(=O)N 7a_200011216270_100000187820 [0,2,0,0,0,0|2,0,0]=4 9124 B15R0.3231 CCCCCCCCC(CC)OCC(=O)[O-] 34a_200011216270_100020667443 [0,2,0,0,0,0|2,0,0]=4 9125 B15R0.3231 CCCCCCCCN(CC)CCC(=O)N 2230a_100020645749_100000210759 [0,2,0,0,0,0|2,0,0]=4 9126 B15R0.3245 CCCCCCCCC(C)N(C)CC(=O)N 270004a_100000739694_100011216694 [0,2,0,0,0,0|2,0,0]=4 9127 B15R0.3245 CCCCCCCCC(O)C(=O)CC(=O)N 1458a_200011995895_100000187820 [0,2,0,0,0,0|1,0,1]=4 9128 B15R0.3245 CCCCCCCCC(O)C(=O)CC(=O)[O-] 1458a_200011995895_100020667443 [0,2,0,0,0,0|1,0,1]=4 9129 B15R0.69 C=C(C)CN(C)CCCCCCCCCC 2230a_100000207566_100000748629 [0,2,0,0,0,0|2,0,0]=4 9130 B15R0.69 C=C(C)CN(C)CCCCCCCCCC 2230a_100000225649_100000210320 [0,2,0,0,0,0|2,0,0]=4 9131 B15R0.69 C=C(C)CN(C)CCCCCCCCCC 269982a_100000207566_100000748629 [0,2,0,0,0,0|2,0,0]=4 9132 B15R0.69 C=C(C)CN(C)CCCCCCCCCC 269982a_100000225649_100000210320 [0,2,0,0,0,0|2,0,0]=4 9133 B15R0.69 C=C(F)CC(=O)CCCCCCCCCC 1458a_100000210375_100009893438 [0,2,0,0,0,0|1,1,0]=4 9134 B15R0.69 C=C(F)CN(C)CCCCCCCCCC 2230a_100000207566_100009893438 [0,2,0,0,0,0|1,1,0]=4 9135 B15R0.69 C=C(F)CN(C)CCCCCCCCCC 269982a_100000207566_100009893438 [0,2,0,0,0,0|1,1,0]=4 9136 B15R0.69 CCCCCCCCCCC(=O)CC(=O)N 1458a_100000210375_100000187820 [0,2,0,0,0,0|1,0,0]=3 9137 B15R0.69 CCCCCCCCCCC(=O)CC(=O)N 1458a_100134613110_100000210319 [0,2,0,0,0,0|1,0,0]=3 9138 B15R0.69 CCCCCCCCCCC(=O)CC(=O)[O-] 1458a_100000210375_100020667443 [0,2,0,0,0,0|1,0,0]=3 9139 B15R0.69 CCCCCCCCCCC(=O)C[N+](=O)[O-] 1458a_100000210375_100000761209 [0,2,0,0,0,0|2,0,0]=4 9140 B15R0.69 CCCCCCCCCCN(C)CC(=O)N 2230a_100000207566_100000747473 [0,2,0,0,0,0|1,0,0]=3 9141 B15R0.69 CCCCCCCCCCN(C)CC(=O)N 2230a_100000739694_100000210320 [0,2,0,0,0,0|1,0,0]=3 9142 B15R0.69 CCCCCCCCCCN(C)CC(=O)N 269982a_100000207566_100000187820 [0,2,0,0,0,0|1,0,0]=3 9143 B15R0.69 CCCCCCCCCCN(C)CC(=O)O 269956a_100000746989_100000210320 [0,2,0,0,0,0|1,0,0]=3 9144 B15R0.69 CCCCCCCCCCN(C)CC(=O)[O-] 269982a_100000207566_100020667443 [0,2,0,0,0,0|1,0,0]=3 9145 B15R0.69 CCCCCCCCCCN(C)C[N+](=O)[O-] 269982a_100000207566_100000761209 [0,2,0,0,0,0|2,0,0]=4 9146 B15R0.69 CCCCCCCCCNC(=O)CC(=O)N 240690a_100000212291_100134613110 [0,2,0,0,0,0|1,0,1]=4 9147 B15R0.69 CCCCCCCCCNC(=O)CC(=O)N 527a_100000212291_100134613110 [0,2,0,0,0,0|1,0,1]=4 9148 B15R0.69 CCCCCCCCCSC(C)OC(=O)C 62a_100009818208_100000210670 [0,2,0,0,0,0|2,0,0]=4 9149 B15R0.69 CCCCCCCCNCC(O)CC(=O)O 269956a_100011218706_100000210759 [0,2,0,0,0,0|1,0,0]=3 9150 B15R0.69 CCCCCCCCOCC(=O)CC(=O)N 1458a_100000759886_100000187820 [0,2,0,0,0,0|1,0,1]=4 9151 B15R0.69 CCCCCCCCOCC(=O)CC(=O)[O-] 1458a_100000759886_100020667443 [0,2,0,0,0,0|1,0,1]=4 9152 B15R0.69 CN(CCCCCCCCCO)CC(=O)N 2230a_100000739694_100009813782 [0,2,0,0,0,0|2,0,0]=4 9153 B15R0.69 CN(CCCCCCCCCO)CC(=O)O 269956a_100000746989_100009813782 [0,2,0,0,0,0|2,0,0]=4 9154 B15R0.69 COCCCCCCNCC(O)CC(=O)O 269956a_100011218706_100011998445 [0,2,0,0,0,0|2,0,0]=4 9155 B15R0.69 NC(=O)CC(=O)CCCCCCCCCF 1458a_200009909015_100000187820 [0,2,0,0,0,0|1,0,1]=4 9156 B15R0.69 NC(=O)CC(=O)CCCCCCCCCO 1458a_100134613110_100009813782 [0,2,0,0,0,0|1,0,1]=4 9157 B15R0.69 O=C(O)CC(O)CNCCCCCCCO 269956a_100011218706_100000760002 [0,2,0,0,0,0|2,0,0]=4 9158 B15R0.69 O=C([O-])CC(=O)CCCCCCCCCF 1458a_200009909015_100020667443 [0,2,0,0,0,0|1,0,1]=4 9159 B15R0.187 CCCCCCC(C)NCC(O)CC(=O)O 269956a_100011218706_100011215978 [0,2,0,0,0,0|2,0,0]=4 9160 B15R0.1998 CCCCCCCCCN(CC)CC(=O)O 269956a_100000746405_100000210670 [0,2,0,0,0,0|2,0,0]=4 9161 B15R0.1998 CCCCCCCCCN(CO)CC(=O)[O-] 269956a_100016989150_100000210670 [0,2,0,0,0,0|2,0,0]=4 9162 B15R0.1998 CCCCCCCCN[C@H](CC)CC(=O)O 269956a_100016995926_100000210759 [0,2,0,0,0,0|2,0,0]=4 9163 B15R0.1998 CCCCCCCCN[C@H](CO)CC(=O)O 269956a_100009816507_100000210759 [0,2,0,0,0,0|2,0,0]=4 9164 B15R0.5055 CCCCCCCCNC(C)(C)CC(=O)N 2230a_100000763158_100000210759 [0,2,0,0,0,0|2,0,0]=4 9165 B15R0.5055 CCCCCCCCNC(C)(C)CC(=O)O 269956a_100000755897_100000210759 [0,2,0,0,0,0|2,0,0]=4 9166 B15R0.5055 CCCCCCCCOC(C)(C)CC(=O)C 7a_100000210262_100000210759 [0,2,0,0,0,0|2,0,0]=4 9167 B15R0.129 CC(=O)CCCCC(=O)CCCCCCO 1458a_100011996774_100000735457 [0,2,0,0,0,0|1,0,1]=4 9168 B15R0.129 CCCCCCCC(=O)CCCCC(=O)C 1458a_100000211969_100000735457 [0,2,0,0,0,0|1,0,0]=3 9169 B15R0.129 CCCCCCCC(=O)CCCNC(=O)C 1458a_100000194741_100000210614 [0,2,0,0,0,0|1,0,1]=4 9170 B15R0.129 CCCCCCCC(=O)CCCOC(=O)C 1458a_100000211969_100000042594 [0,2,0,0,0,0|1,0,1]=4 9171 B15R0.129 CCCCCCCC(=O)CCCSC(=O)C 1458a_100000211969_100000038929 [0,2,0,0,0,0|1,0,1]=4 9172 B15R0.129 CCCCCCCC(=O)CCOCC(=O)N 1458a_100000211969_100000076697 [0,2,0,0,0,0|1,0,1]=4 9173 B15R0.129 CCCCCCCC(=O)CCSCC(=O)N 1458a_100000148550_100000210614 [0,2,0,0,0,0|1,0,1]=4 9174 B15R0.129 CCCCCCCC(=O)NCCCC(=O)N 240690a_100000739312_100000211969 [0,2,0,0,0,0|1,0,1]=4 9175 B15R0.129 CCCCCCCC(=O)NCCCC(=O)N 527a_100000739312_100000211969 [0,2,0,0,0,0|1,0,1]=4 9176 B15R0.129 CCCCCCCC(C)NCCCC(=O)N 34a_100000739312_200011218727 [0,2,0,0,0,0|1,0,0]=3 9177 B15R0.129 CCCCCCCC(C)NCCCS(=O)C 2230a_200000753449_200011218727 [0,2,0,0,0,0|2,0,0]=4 9178 B15R0.129 CCCCCCCC(C)NCCCS(=O)C 270004a_200000753449_100000210596 [0,2,0,0,0,0|2,0,0]=4 9179 B15R0.129 CCCCCCCC(C)NCCNC(=O)C 2230a_100000209853_200011218727 [0,2,0,0,0,0|2,0,0]=4 9180 B15R0.129 CCCCCCCC(C)NCCNC(=O)N 34a_100020590234_200011218727 [0,2,0,0,0,0|2,0,0]=4 9181 B15R0.129 CCCCCCCC(C)OCCCC(=O)C 34a_100000759063_200011218727 [0,2,0,0,0,0|1,0,0]=3 9182 B15R0.129 CCCCCCCC(C)OCCCC(=O)C 34a_200011215852_100000685027 [0,2,0,0,0,0|1,0,0]=3 9183 B15R0.129 CCCCCCCC(C)OCCCC(=O)C 7a_100000759063_200011218727 [0,2,0,0,0,0|1,0,0]=3 9184 B15R0.129 CCCCCCCC(C)OCCCC(=O)C 7a_200011215852_100011215641 [0,2,0,0,0,0|1,0,0]=3 9185 B15R0.129 CCCCCCCC(C)OCCCC(=O)N 34a_200011215852_100102525003 [0,2,0,0,0,0|1,0,0]=3 9186 B15R0.129 CCCCCCCC(C)OCCCC(=O)N 7a_200011215852_100102525003 [0,2,0,0,0,0|1,0,0]=3 9187 B15R0.129 CCCCCCCC(C)OCCC[N+](=O)[O-] 34a_200000037920_200011218727 [0,2,0,0,0,0|2,0,0]=4 9188 B15R0.129 CCCCCCCC(C)OCCNC(=O)C 34a_100000158858_200011218727 [0,2,0,0,0,0|2,0,0]=4 9189 B15R0.129 CCCCCCCC(C)OCCNC(=O)C 7a_200011215852_100000189650 [0,2,0,0,0,0|2,0,0]=4 9190 B15R0.129 CCCCCCCC(C)OCCNC(=O)N 34a_100000181757_200011218727 [0,2,0,0,0,0|2,0,0]=4 9191 B15R0.129 CCCCCCCC(C)OCCNC(=O)N 7a_200011215852_200000034859 [0,2,0,0,0,0|2,0,0]=4 9192 B15R0.129 CCCCCCCC(C)OCCOC(=O)C 34a_200011215852_100009814007 [0,2,0,0,0,0|2,0,0]=4 9193 B15R0.129 CCCCCCCC(C)OCCOC(=O)C 7a_200011215852_100009814007 [0,2,0,0,0,0|2,0,0]=4 9194 B15R0.129 CCCCCCCC(C)OCCOC(=O)N 34a_200011215852_200011214921 [0,2,0,0,0,0|2,0,0]=4 9195 B15R0.129 CCCCCCCC(C)OCCOC(=O)N 7a_100000766696_200011218727 [0,2,0,0,0,0|2,0,0]=4 9196 B15R0.129 CCCCCCCC(C)OCCOC(=O)N 7a_200011215852_200011214921 [0,2,0,0,0,0|2,0,0]=4 9197 B15R0.129 CCCCCCCC(C)SCCCC(=O)C 62a_100011215641_200011218727 [0,2,0,0,0,0|1,0,0]=3 9198 B15R0.129 CCCCCCCC(C)SCCCC(=O)C 62a_200011218727_100011215641 [0,2,0,0,0,0|1,0,0]=3 9199 B15R0.129 CCCCCCCC(C)SCCCC(=O)N 62a_100102525003_200011218727 [0,2,0,0,0,0|1,0,0]=3 9200 B15R0.129 CCCCCCCC(C)SCCCC(=O)N 62a_200011218727_100102525003 [0,2,0,0,0,0|1,0,0]=3 9201 B15R0.129 CCCCCCCC(C)SCCNC(=O)C 62a_100000189650_200011218727 [0,2,0,0,0,0|2,0,0]=4 9202 B15R0.129 CCCCCCCC(C)SCCNC(=O)C 62a_200011218727_100000189650 [0,2,0,0,0,0|2,0,0]=4 9203 B15R0.129 CCCCCCCC(C)SCCNC(=O)N 62a_200000034859_200011218727 [0,2,0,0,0,0|2,0,0]=4 9204 B15R0.129 CCCCCCCC(C)SCCNC(=O)N 62a_200011218727_200000034859 [0,2,0,0,0,0|2,0,0]=4 9205 B15R0.129 CCCCCCCC(C)SCCOC(=O)C 62a_100009814007_200011218727 [0,2,0,0,0,0|2,0,0]=4 9206 B15R0.129 CCCCCCCC(C)SCCOC(=O)C 62a_200011218727_100009814007 [0,2,0,0,0,0|2,0,0]=4 9207 B15R0.129 CCCCCCCC(C)SCCOC(=O)N 62a_200011214921_200011218727 [0,2,0,0,0,0|2,0,0]=4 9208 B15R0.129 CCCCCCCC(C)SCCOC(=O)N 62a_200011218727_200011214921 [0,2,0,0,0,0|2,0,0]=4 9209 B15R0.129 CCCCCCCN(C)CCCCC(=O)C 269982a_100000228206_100000735457 [0,2,0,0,0,0|1,0,0]=3 9210 B15R0.129 CCCCCCCN(C)CCCOC(=O)C 269982a_100000228206_100000042594 [0,2,0,0,0,0|2,0,0]=4 9211 B15R0.129 CCCCCCCN(C)CCCSC(=O)C 2230a_100000228206_100000038929 [0,2,0,0,0,0|2,0,0]=4 9212 B15R0.129 CCCCCCCN(C)CCCSC(=O)C 269982a_100000228206_100000038929 [0,2,0,0,0,0|2,0,0]=4 9213 B15R0.129 CCCCCCCN(C)CCOCC(=O)N 2230a_100000228206_100000076697 [0,2,0,0,0,0|2,0,0]=4 9214 B15R0.129 CCCCCCCN(C)CCOCC(=O)N 269982a_100000228206_100000076697 [0,2,0,0,0,0|2,0,0]=4 9215 B15R0.129 COCCCCCC(=O)CCCCC(=O)C 1458a_100011935119_100000735457 [0,2,0,0,0,0|1,0,1]=4 9216 B15R0.164 C#CCCCCCCCCCOCC(=O)N 34a_100000034437_100000187820 [0,2,0,0,0,0|1,0,1]=4 9217 B15R0.164 C#CCCCCCCCCCOCC(=O)N 7a_100000034437_100000187820 [0,2,0,0,0,0|1,0,1]=4 9218 B15R0.164 C#CCCCCCCCCCOCC(=O)[O-] 34a_100000034437_100020667443 [0,2,0,0,0,0|1,0,1]=4 9219 B15R0.164 C#CCCCCCCCCOCCC(=O)C 7a_100000065265_100000053229 [0,2,0,0,0,0|1,0,1]=4 9220 B15R0.164 C#CCCCCCCCCOCCC(=O)N 34a_100000065265_100000731001 [0,2,0,0,0,0|1,0,1]=4 9221 B15R0.164 C#CCCCCCCCCOCCC(=O)N 7a_100000065265_100000744528 [0,2,0,0,0,0|1,0,1]=4 9222 B15R0.164 C#CCCCCCCCNCCCC(=O)N 34a_100000739312_100153394163 [0,2,0,0,0,0|1,0,1]=4 9223 B15R0.164 C#CCCCCCCCOCCCC(=O)C 34a_100000054614_100000685027 [0,2,0,0,0,0|1,0,1]=4 9224 B15R0.164 C#CCCCCCCCOCCCC(=O)C 34a_100000759063_100153394163 [0,2,0,0,0,0|1,0,1]=4 9225 B15R0.164 C#CCCCCCCCOCCCC(=O)C 7a_100000054614_100011215641 [0,2,0,0,0,0|1,0,1]=4 9226 B15R0.164 C#CCCCCCCCOCCCC(=O)C 7a_100000759063_100153394163 [0,2,0,0,0,0|1,0,1]=4 9227 B15R0.164 C#CCCCCCCCOCCCC(=O)N 34a_100000054614_100102525003 [0,2,0,0,0,0|1,0,1]=4 9228 B15R0.164 C#CCCCCCCCOCCCC(=O)N 7a_100000054614_100102525003 [0,2,0,0,0,0|1,0,1]=4 9229 B15R0.164 C#CCCCCCCCSCCCC(=O)C 62a_100011215641_100153394163 [0,2,0,0,0,0|1,0,1]=4 9230 B15R0.164 C#CCCCCCCCSCCCC(=O)C 62a_100153394163_100011215641 [0,2,0,0,0,0|1,0,1]=4 9231 B15R0.164 C#CCCCCCCCSCCCC(=O)N 62a_100102525003_100153394163 [0,2,0,0,0,0|1,0,1]=4 9232 B15R0.164 C#CCCCCCCCSCCCC(=O)N 62a_100153394163_100102525003 [0,2,0,0,0,0|1,0,1]=4 9233 B15R0.164 C#CCCCCCCNCCCCC(=O)N 34a_100000696515_100012276617 [0,2,0,0,0,0|1,0,1]=4 9234 B15R0.164 C#CCCCCCCOCCCCC(=O)C 34a_100011217361_100009817362 [0,2,0,0,0,0|1,0,1]=4 9235 B15R0.164 C#CCCCCCCOCCCCC(=O)C 7a_100011217361_100000735457 [0,2,0,0,0,0|1,0,1]=4 9236 B15R0.164 C#CCCCCCCOCCCCC(=O)N 34a_100012022536_100012276617 [0,2,0,0,0,0|1,0,1]=4 9237 B15R0.164 C#CCCCCCCOCCCCC(=O)N 7a_100012022536_100012276617 [0,2,0,0,0,0|1,0,1]=4 9238 B15R0.164 C#CCCCCCCSCCCCC(=O)C 62a_100000735457_100012276617 [0,2,0,0,0,0|1,0,1]=4 9239 B15R0.164 C#CCCCCCCSCCCCC(=O)C 62a_100012276617_100000735457 [0,2,0,0,0,0|1,0,1]=4 9240 B15R0.164 C#CCCCCCOCCCCCC(=O)N 34a_100000123541_100012094781 [0,2,0,0,0,0|1,0,1]=4 9241 B15R0.164 C#CCCCCCOCCCCCC(=O)N 34a_100000766912_100009817443 [0,2,0,0,0,0|1,0,1]=4 9242 B15R0.164 C#CCCCCCOCCCCCC(=O)N 7a_100000123541_100012094781 [0,2,0,0,0,0|1,0,1]=4 9243 B15R0.164 C#CCCCCCOCCCCCC(=O)N 7a_100000766912_100009817443 [0,2,0,0,0,0|1,0,1]=4 9244 B15R0.164 C#CCCCCCOCCCCCC(=O)[O-] 7a_100102619762_100012094781 [0,2,0,0,0,0|1,0,1]=4 9245 B15R0.164 C#CCCCCCSCCCCCC(=O)N 62a_100009817443_100012094781 [0,2,0,0,0,0|1,0,1]=4 9246 B15R0.164 C#CCCCCCSCCCCCC(=O)N 62a_100012094781_100009817443 [0,2,0,0,0,0|1,0,1]=4 9247 B15R0.164 C=C(Br)CCOCCCCCCCCCO 34a_100009813270_100009813782 [0,2,0,0,0,0|1,1,0]=4 9248 B15R0.164 C=C(C)CCNCCCCCCCCCC 2230a_100000684558_100000730704 [0,2,0,0,0,0|2,0,0]=4 9249 B15R0.164 C=C(C)CCNCCCCCCCCCC 34a_100000684558_100000730704 [0,2,0,0,0,0|2,0,0]=4 9250 B15R0.164 C=C(C)CCNCCCCCCCCCO 2230a_100000078944_100000730704 [0,2,0,0,0,0|2,0,0]=4 9251 B15R0.164 C=C(C)CCNCCCCCCCCCO 34a_100000078944_100000730704 [0,2,0,0,0,0|2,0,0]=4 9252 B15R0.164 C=C(C)CCOCCCCCCCCCCl 34a_100009868337_100000730704 [0,2,0,0,0,0|2,0,0]=4 9253 B15R0.164 C=C(C)CCOCCCCCCCCCCl 7a_100009868337_100000730704 [0,2,0,0,0,0|2,0,0]=4 9254 B15R0.164 C=C(C)CCOCCCCCCCCCN 34a_100000078944_100000730704 [0,2,0,0,0,0|2,0,0]=4 9255 B15R0.164 C=C(C)CCOCCCCCCCCCO 34a_100000764851_100009813782 [0,2,0,0,0,0|2,0,0]=4 9256 B15R0.164 C=C(C)CCSCCCCCCCCCO 62a_100000730704_100009813782 [0,2,0,0,0,0|2,0,0]=4 9257 B15R0.164 C=C(C)CCSCCCCCCCCCO 62a_100009813782_100000730704 [0,2,0,0,0,0|2,0,0]=4 9258 B15R0.164 C=C(C)CNCCCCCCCCCCC 2230a_200011215754_100000748629 [0,2,0,0,0,0|2,0,0]=4 9259 B15R0.164 C=C(C)CNCCCCCCCCCCC 34a_200011215754_100000748629 [0,2,0,0,0,0|2,0,0]=4 9260 B15R0.164 C=C(C)CNCCCCCCCCCCO 2230a_100000066964_100000748629 [0,2,0,0,0,0|2,0,0]=4 9261 B15R0.164 C=C(C)CNCCCCCCCCCCO 34a_100000066964_100000748629 [0,2,0,0,0,0|2,0,0]=4 9262 B15R0.164 C=C(C)COCCCCCCCCCCCl 34a_200000033068_100000748629 [0,2,0,0,0,0|2,0,0]=4 9263 B15R0.164 C=C(C)COCCCCCCCCCCCl 7a_200000033068_100000748629 [0,2,0,0,0,0|2,0,0]=4 9264 B15R0.164 C=C(C)COCCCCCCCCCCN 34a_100000066964_100000748629 [0,2,0,0,0,0|2,0,0]=4 9265 B15R0.164 C=C(C)COCCCCCCCCCCO 34a_100000210245_100009813290 [0,2,0,0,0,0|2,0,0]=4 9266 B15R0.164 C=C(C)CSCCCCCCCCCCO 62a_100000748629_200000033068 [0,2,0,0,0,0|2,0,0]=4 9267 B15R0.164 C=C(C)CSCCCCCCCCCCO 62a_100009813290_100000211660 [0,2,0,0,0,0|2,0,0]=4 9268 B15R0.164 C=C(F)CNCCCCCCCCCCC 2230a_200011215754_100009893438 [0,2,0,0,0,0|1,1,0]=4 9269 B15R0.164 C=C(F)CNCCCCCCCCCCC 34a_200011215754_100009893438 [0,2,0,0,0,0|1,1,0]=4 9270 B15R0.164 C=C(F)CNCCCCCCCCCCO 2230a_100000066964_100009893438 [0,2,0,0,0,0|1,1,0]=4 9271 B15R0.164 C=C(F)CNCCCCCCCCCCO 34a_100000066964_100009893438 [0,2,0,0,0,0|1,1,0]=4 9272 B15R0.164 C=C(F)COCCCCCCCCCCCl 34a_200000033068_100009893438 [0,2,0,0,0,0|1,1,0]=4 9273 B15R0.164 C=C(F)COCCCCCCCCCCCl 7a_200000033068_100000042424 [0,2,0,0,0,0|1,1,0]=4 9274 B15R0.164 C=C(F)COCCCCCCCCCCN 34a_100000066964_100009893438 [0,2,0,0,0,0|1,1,0]=4 9275 B15R0.164 C=C(F)COCCCCCCCCCCO 34a_200010262243_100009813290 [0,2,0,0,0,0|1,1,0]=4 9276 B15R0.164 C=C(F)CSCCCCCCCCCCO 62a_100000042424_200000033068 [0,2,0,0,0,0|1,1,0]=4 9277 B15R0.164 C=C(F)CSCCCCCCCCCCO 62a_100009813290_100000042424 [0,2,0,0,0,0|1,1,0]=4 9278 B15R0.164 C=CCCCCCCCCCNCC(=O)N 2230a_100000081888_100000747473 [0,2,0,0,0,0|1,0,1]=4 9279 B15R0.164 C=CCCCCCCCCCNCC(=O)N 2230a_100000711301_100009814027 [0,2,0,0,0,0|1,0,1]=4 9280 B15R0.164 C=CCCCCCCCCCNCC(=O)N 34a_100000081888_100000187820 [0,2,0,0,0,0|1,0,1]=4 9281 B15R0.164 C=CCCCCCCCCCNCC(=O)O 269956a_100016091260_100009814027 [0,2,0,0,0,0|1,0,1]=4 9282 B15R0.164 C=CCCCCCCCCCNCC(=O)[O-] 34a_100000081888_100020667443 [0,2,0,0,0,0|1,0,1]=4 9283 B15R0.164 C=CCCCCCCCCCOCC(=O)C 34a_100000211253_100009814027 [0,2,0,0,0,0|1,0,1]=4 9284 B15R0.164 C=CCCCCCCCCCOCC(=O)N 34a_100000038209_100000187820 [0,2,0,0,0,0|1,0,1]=4 9285 B15R0.164 C=CCCCCCCCCCOCC(=O)N 7a_100000038209_100000187820 [0,2,0,0,0,0|1,0,1]=4 9286 B15R0.164 C=CCCCCCCCCCOCC(=O)[O-] 34a_100000038209_100020667443 [0,2,0,0,0,0|1,0,1]=4 9287 B15R0.164 C=CCCCCCCCCCSCC(=O)N 62a_100000747473_100009814027 [0,2,0,0,0,0|1,0,1]=4 9288 B15R0.164 C=CCCCCCCCCCSCC(=O)N 62a_100009814027_100000747473 [0,2,0,0,0,0|1,0,1]=4 9289 B15R0.164 C=CCCCCCCCCCSCC(=O)[O-] 62a_100009814027_100020667443 [0,2,0,0,0,0|1,0,1]=4 9290 B15R0.164 C=CCCCCCCCCCSCC(=O)[O-] 62a_100020667443_100009814027 [0,2,0,0,0,0|1,0,1]=4 9291 B15R0.164 C=CCCCCCCCCOCCC(=O)C 34a_100000759926_100011933949 [0,2,0,0,0,0|1,0,1]=4 9292 B15R0.164 C=CCCCCCCCCOCCC(=O)C 7a_100000759926_100011933949 [0,2,0,0,0,0|1,0,1]=4 9293 B15R0.164 C=CCCCCCCCCOCCC(=O)C 7a_100011215194_100000053229 [0,2,0,0,0,0|1,0,1]=4 9294 B15R0.164 C=CCCCCCCCCOCCC(=O)N 34a_100000757172_100011933949 [0,2,0,0,0,0|1,0,1]=4 9295 B15R0.164 C=CCCCCCCCCOCCC(=O)N 34a_100011215194_100000731001 [0,2,0,0,0,0|1,0,1]=4 9296 B15R0.164 C=CCCCCCCCCOCCC(=O)N 7a_100000757172_100011933949 [0,2,0,0,0,0|1,0,1]=4 9297 B15R0.164 C=CCCCCCCCCOCCC(=O)N 7a_100011215194_100000744528 [0,2,0,0,0,0|1,0,1]=4 9298 B15R0.164 C=CCCCCCCCCSCCC(=O)C 62a_100000053229_100011933949 [0,2,0,0,0,0|1,0,1]=4 9299 B15R0.164 C=CCCCCCCCCSCCC(=O)C 62a_100011933949_100000053229 [0,2,0,0,0,0|1,0,1]=4 9300 B15R0.164 C=CCCCCCCCCSCCC(=O)N 62a_100000744528_100011933949 [0,2,0,0,0,0|1,0,1]=4 9301 B15R0.164 C=CCCCCCCCCSCCC(=O)N 62a_100011933949_100000744528 [0,2,0,0,0,0|1,0,1]=4 9302 B15R0.164 C=CCCCCCCCNCCCC(=O)N 34a_100000739312_100012355270 [0,2,0,0,0,0|1,0,1]=4 9303 B15R0.164 C=CCCCCCCCOCCCC(=O)C 34a_100000730831_100000685027 [0,2,0,0,0,0|1,0,1]=4 9304 B15R0.164 C=CCCCCCCCOCCCC(=O)C 34a_100000759063_100012355270 [0,2,0,0,0,0|1,0,1]=4 9305 B15R0.164 C=CCCCCCCCOCCCC(=O)C 7a_100000730831_100011215641 [0,2,0,0,0,0|1,0,1]=4 9306 B15R0.164 C=CCCCCCCCOCCCC(=O)C 7a_100000759063_100012355270 [0,2,0,0,0,0|1,0,1]=4 9307 B15R0.164 C=CCCCCCCCOCCCC(=O)N 34a_100000730831_100102525003 [0,2,0,0,0,0|1,0,1]=4 9308 B15R0.164 C=CCCCCCCCOCCCC(=O)N 7a_100000730831_100102525003 [0,2,0,0,0,0|1,0,1]=4 9309 B15R0.164 C=CCCCCCCCSCCCC(=O)C 62a_100011215641_100012355270 [0,2,0,0,0,0|1,0,1]=4 9310 B15R0.164 C=CCCCCCCCSCCCC(=O)C 62a_100012355270_100011215641 [0,2,0,0,0,0|1,0,1]=4 9311 B15R0.164 C=CCCCCCCCSCCCC(=O)N 62a_100012355270_100102525003 [0,2,0,0,0,0|1,0,1]=4 9312 B15R0.164 C=CCCCCCCCSCCCC(=O)N 62a_100102525003_100012355270 [0,2,0,0,0,0|1,0,1]=4 9313 B15R0.164 C=CCCCCCCNCCCCC(=O)N 34a_100000696515_100011215473 [0,2,0,0,0,0|1,0,1]=4 9314 B15R0.164 C=CCCCCCCOCCCCC(=O)C 34a_200011216477_100009817362 [0,2,0,0,0,0|1,0,1]=4 9315 B15R0.164 C=CCCCCCCOCCCCC(=O)C 7a_200011216477_100000735457 [0,2,0,0,0,0|1,0,1]=4 9316 B15R0.164 C=CCCCCCCOCCCCC(=O)N 34a_100012022536_100011215473 [0,2,0,0,0,0|1,0,1]=4 9317 B15R0.164 C=CCCCCCCOCCCCC(=O)N 7a_100012022536_100011215473 [0,2,0,0,0,0|1,0,1]=4 9318 B15R0.164 C=CCCCCCCSCCCCC(=O)C 62a_100000735457_100011215473 [0,2,0,0,0,0|1,0,1]=4 9319 B15R0.164 C=CCCCCCCSCCCCC(=O)C 62a_100011215473_100000735457 [0,2,0,0,0,0|1,0,1]=4 9320 B15R0.164 C=CCCCCCOCCCCCC(=O)N 34a_100000123541_100000700193 [0,2,0,0,0,0|1,0,1]=4 9321 B15R0.164 C=CCCCCCOCCCCCC(=O)N 34a_100011216702_100009817443 [0,2,0,0,0,0|1,0,1]=4 9322 B15R0.164 C=CCCCCCOCCCCCC(=O)N 7a_100000123541_100000700193 [0,2,0,0,0,0|1,0,1]=4 9323 B15R0.164 C=CCCCCCOCCCCCC(=O)N 7a_100011216702_100009817443 [0,2,0,0,0,0|1,0,1]=4 9324 B15R0.164 C=CCCCCCOCCCCCC(=O)[O-] 7a_100102619762_100000700193 [0,2,0,0,0,0|1,0,1]=4 9325 B15R0.164 C=CCCCCCSCCCCCC(=O)N 62a_100000700193_100009817443 [0,2,0,0,0,0|1,0,1]=4 9326 B15R0.164 C=CCCCCCSCCCCCC(=O)N 62a_100009817443_100000700193 [0,2,0,0,0,0|1,0,1]=4 9327 B15R0.164 CC(=O)CCCCCCCCCCCCO 1458a_100000070787_100009813331 [0,2,0,0,0,0|1,0,0]=3 9328 B15R0.164 CC(=O)CCCCCCOCCCCCO 1458a_100000070787_200132310570 [0,2,0,0,0,0|1,0,0]=3 9329 B15R0.164 CC(=O)CCCCNCCCCCCCO 34a_100011996573_100009817362 [0,2,0,0,0,0|1,0,0]=3 9330 B15R0.164 CC(=O)CCCCNCCCOCCCO 34a_100011310245_100009817362 [0,2,0,0,0,0|2,0,0]=4 9331 B15R0.164 CC(=O)CCCCOCCCCCCCBr 34a_100000760002_100009817362 [0,2,0,0,0,0|1,0,0]=3 9332 B15R0.164 CC(=O)CCCCOCCCCCCCBr 7a_100000760002_100000735457 [0,2,0,0,0,0|1,0,0]=3 9333 B15R0.164 CC(=O)CCCCOCCCCCCCN 34a_100011996573_100009817362 [0,2,0,0,0,0|1,0,0]=3 9334 B15R0.164 CC(=O)CCCCOCCCOCCCN 34a_100011310245_100009817362 [0,2,0,0,0,0|2,0,0]=4 9335 B15R0.164 CC(=O)CCCCSCCCCCCC#N 62a_100000735457_100009813337 [0,2,0,0,0,0|1,0,1]=4 9336 B15R0.164 CC(=O)CCCCSCCCCCCC#N 62a_100009813337_100000735457 [0,2,0,0,0,0|1,0,1]=4 9337 B15R0.164 CC(=O)CCCCSCCCCCCCO 62a_100000735457_100000760002 [0,2,0,0,0,0|1,0,0]=3 9338 B15R0.164 CC(=O)CCCCSCCCCCCCO 62a_100000760002_100000735457 [0,2,0,0,0,0|1,0,0]=3 9339 B15R0.164 CC(=O)CCCNCCCCCCCCO 34a_102515433106_100000685027 [0,2,0,0,0,0|1,0,0]=3 9340 B15R0.164 CC(=O)CCCOCCCCCCCCBr 34a_100009813846_100000685027 [0,2,0,0,0,0|1,0,0]=3 9341 B15R0.164 CC(=O)CCCOCCCCCCCCBr 7a_100009813846_100011215641 [0,2,0,0,0,0|1,0,0]=3 9342 B15R0.164 CC(=O)CCCOCCCCCCCCCl 34a_100000033203_100000685027 [0,2,0,0,0,0|1,0,0]=3 9343 B15R0.164 CC(=O)CCCOCCCCCCCCCl 7a_100000033203_100011215641 [0,2,0,0,0,0|1,0,0]=3 9344 B15R0.164 CC(=O)CCCOCCCCCCCCN 34a_102515433106_100000685027 [0,2,0,0,0,0|1,0,0]=3 9345 B15R0.164 CC(=O)CCCOCCCCCCCCO 34a_100000759063_100000033203 [0,2,0,0,0,0|1,0,0]=3 9346 B15R0.164 CC(=O)CCCOCCCCCCCCO 7a_100000759063_100000033203 [0,2,0,0,0,0|1,0,0]=3 9347 B15R0.164 CC(=O)CCCOCCCCCNCCN 34a_103619048469_100000685027 [0,2,0,0,0,0|2,0,0]=4 9348 B15R0.164 CC(=O)CCCSCCCCCCCCO 62a_100000033203_100011215641 [0,2,0,0,0,0|1,0,0]=3 9349 B15R0.164 CC(=O)CCCSCCCCCCCCO 62a_100011215641_100000033203 [0,2,0,0,0,0|1,0,0]=3 9350 B15R0.164 CC(=O)CCOCCCCCCCCCBr 7a_100009813782_100000053229 [0,2,0,0,0,0|1,0,0]=3 9351 B15R0.164 CC(=O)CCOCCCCCCCCCCl 7a_100009868337_100000053229 [0,2,0,0,0,0|1,0,0]=3 9352 B15R0.164 CC(=O)CCOCCCCCCCCCO 34a_100000759926_100009813782 [0,2,0,0,0,0|1,0,0]=3 9353 B15R0.164 CC(=O)CCOCCCCCCCCCO 7a_100000759926_100009813782 [0,2,0,0,0,0|1,0,0]=3 9354 B15R0.164 CC(=O)CCSCCCCCCCCCO 62a_100000053229_100009813782 [0,2,0,0,0,0|1,0,0]=3 9355 B15R0.164 CC(=O)CCSCCCCCCCCCO 62a_100009813782_100000053229 [0,2,0,0,0,0|1,0,0]=3 9356 B15R0.164 CC(=O)COCCCCCCCCCCO 34a_100000211253_100009813290 [0,2,0,0,0,0|1,0,0]=3 9357 B15R0.164 CC(=O)NCCCCCCNCCCCF 2230a_200011996284_100000729493 [0,2,0,0,0,0|2,0,0]=4 9358 B15R0.164 CC(=O)NCCCCCCNCCCCF 34a_200011996284_100000729493 [0,2,0,0,0,0|2,0,0]=4 9359 B15R0.164 CC(=O)NCCCCCCNCCCCO 2230a_200011996284_100000210776 [0,2,0,0,0,0|2,0,0]=4 9360 B15R0.164 CC(=O)NCCCCCCNCCCCO 34a_200011996284_100011216708 [0,2,0,0,0,0|2,0,0]=4 9361 B15R0.164 CC(=O)NCCCCCNCCCCCF 2230a_200012022750_100000729378 [0,2,0,0,0,0|2,0,0]=4 9362 B15R0.164 CC(=O)NCCCCCNCCCCCF 34a_200012022750_100000729378 [0,2,0,0,0,0|2,0,0]=4 9363 B15R0.164 CC(=O)NCCCCCNCCCCCO 2230a_200012022750_100000746330 [0,2,0,0,0,0|2,0,0]=4 9364 B15R0.164 CC(=O)NCCCCCNCCCCCO 34a_200012022750_100000746330 [0,2,0,0,0,0|2,0,0]=4 9365 B15R0.164 CC(=O)NCCCCNCCCCCCF 2230a_200011368371_100015922095 [0,2,0,0,0,0|2,0,0]=4 9366 B15R0.164 CC(=O)NCCCCNCCCCCCF 34a_200011368371_100015922095 [0,2,0,0,0,0|2,0,0]=4 9367 B15R0.164 CC(=O)NCCCCNCCCCCCO 2230a_200011368371_100000766143 [0,2,0,0,0,0|2,0,0]=4 9368 B15R0.164 CC(=O)NCCCCNCCCCCCO 34a_200011368371_100000766143 [0,2,0,0,0,0|2,0,0]=4 9369 B15R0.164 CC(=O)NCCCNCCCCCCCO 34a_100000736810_100000760002 [0,2,0,0,0,0|2,0,0]=4 9370 B15R0.164 CC(=O)NCCCOCCCCCCCO 34a_100000752032_100000760002 [0,2,0,0,0,0|2,0,0]=4 9371 B15R0.164 CC(=O)NCCNCCCCCCCCO 2230a_100000209853_100000033203 [0,2,0,0,0,0|2,0,0]=4 9372 B15R0.164 CC(=O)NCCNCCCCCCCCO 2230a_102515433106_100000189650 [0,2,0,0,0,0|2,0,0]=4 9373 B15R0.164 CC(=O)NCCOCCCCCCCCBr 7a_100009813846_100000189650 [0,2,0,0,0,0|2,0,0]=4 9374 B15R0.164 CC(=O)NCCOCCCCCCCCCl 7a_100000033203_100000189650 [0,2,0,0,0,0|2,0,0]=4 9375 B15R0.164 CC(=O)NCCOCCCCCCCCO 34a_100000158858_100000033203 [0,2,0,0,0,0|2,0,0]=4 9376 B15R0.164 CC(=O)NCCSCCCCCCCCO 62a_100000033203_100000189650 [0,2,0,0,0,0|2,0,0]=4 9377 B15R0.164 CC(=O)NCCSCCCCCCCCO 62a_100000189650_100000033203 [0,2,0,0,0,0|2,0,0]=4 9378 B15R0.164 CC(=O)OCCCCCNCCCCCO 2230a_100000762737_100009813381 [0,2,0,0,0,0|2,0,0]=4 9379 B15R0.164 CC(=O)OCCCCCNCCCCCO 34a_100000762737_100000033007 [0,2,0,0,0,0|2,0,0]=4 9380 B15R0.164 CC(=O)OCCCCCOCCCCCBr 34a_100000746331_100000033007 [0,2,0,0,0,0|2,0,0]=4 9381 B15R0.164 CC(=O)OCCCCCOCCCCCBr 7a_100000746331_100000033007 [0,2,0,0,0,0|2,0,0]=4 9382 B15R0.164 CC(=O)OCCCCCOCCCCCCl 34a_100000746330_100000033007 [0,2,0,0,0,0|2,0,0]=4 9383 B15R0.164 CC(=O)OCCCCCOCCCCCCl 7a_100000746330_100000033007 [0,2,0,0,0,0|2,0,0]=4 9384 B15R0.164 CC(=O)OCCCCCOCCCCCI 34a_200012148887_100000033007 [0,2,0,0,0,0|2,0,0]=4 9385 B15R0.164 CC(=O)OCCCCCOCCCCCI 7a_200012148887_100000033007 [0,2,0,0,0,0|2,0,0]=4 9386 B15R0.164 CC(=O)OCCCCCOCCCCCN 34a_100000762737_100000033007 [0,2,0,0,0,0|2,0,0]=4 9387 B15R0.164 CC(=O)OCCCCCSCCCCCF 62a_100000033007_100000729378 [0,2,0,0,0,0|2,0,0]=4 9388 B15R0.164 CC(=O)OCCCCCSCCCCCF 62a_100000729378_100000033007 [0,2,0,0,0,0|2,0,0]=4 9389 B15R0.164 CC(=O)OCCCCCSCCCCCO 62a_100000033007_100000746330 [0,2,0,0,0,0|2,0,0]=4 9390 B15R0.164 CC(=O)OCCCCCSCCCCCO 62a_100000746330_100000033007 [0,2,0,0,0,0|2,0,0]=4 9391 B15R0.164 CC(=O)OCCCCNCCCCCCO 34a_100000686447_100000033659 [0,2,0,0,0,0|2,0,0]=4 9392 B15R0.164 CC(=O)OCCCCOCCCCCCBr 34a_100011215345_100000033659 [0,2,0,0,0,0|2,0,0]=4 9393 B15R0.164 CC(=O)OCCCCOCCCCCCBr 7a_100011215345_100000033659 [0,2,0,0,0,0|2,0,0]=4 9394 B15R0.164 CC(=O)OCCCCOCCCCCCCl 34a_100000766143_100000033659 [0,2,0,0,0,0|2,0,0]=4 9395 B15R0.164 CC(=O)OCCCCOCCCCCCCl 7a_100000766143_100000033659 [0,2,0,0,0,0|2,0,0]=4 9396 B15R0.164 CC(=O)OCCCCOCCCCCCF 34a_100000073216_100015922095 [0,2,0,0,0,0|2,0,0]=4 9397 B15R0.164 CC(=O)OCCCCOCCCCCCF 34a_100000732779_100000033659 [0,2,0,0,0,0|2,0,0]=4 9398 B15R0.164 CC(=O)OCCCCOCCCCCCF 7a_100000073216_100015922095 [0,2,0,0,0,0|2,0,0]=4 9399 B15R0.164 CC(=O)OCCCCOCCCCCCF 7a_100000732779_100000033659 [0,2,0,0,0,0|2,0,0]=4 9400 B15R0.164 CC(=O)OCCCCOCCCCCCN 34a_100000686447_100000033659 [0,2,0,0,0,0|2,0,0]=4 9401 B15R0.164 CC(=O)OCCCCOCCCCCCO 34a_100000073216_100000766143 [0,2,0,0,0,0|2,0,0]=4 9402 B15R0.164 CC(=O)OCCCCOCCCCCCO 7a_100000073216_100000766143 [0,2,0,0,0,0|2,0,0]=4 9403 B15R0.164 CC(=O)OCCCCSCCCCCCF 62a_100000033659_100015922095 [0,2,0,0,0,0|2,0,0]=4 9404 B15R0.164 CC(=O)OCCCCSCCCCCCF 62a_100015922095_100000033659 [0,2,0,0,0,0|2,0,0]=4 9405 B15R0.164 CC(=O)OCCCCSCCCCCCO 62a_100000033659_100000766143 [0,2,0,0,0,0|2,0,0]=4 9406 B15R0.164 CC(=O)OCCCCSCCCCCCO 62a_100000766143_100000033659 [0,2,0,0,0,0|2,0,0]=4 9407 B15R0.164 CC(=O)OCCCNCCCCCCCO 34a_100011996573_100000042594 [0,2,0,0,0,0|2,0,0]=4 9408 B15R0.164 CC(=O)OCCCOCCCCCCCBr 34a_100000760002_100000042594 [0,2,0,0,0,0|2,0,0]=4 9409 B15R0.164 CC(=O)OCCCOCCCCCCCBr 7a_100000760002_100000042594 [0,2,0,0,0,0|2,0,0]=4 9410 B15R0.164 CC(=O)OCCCOCCCCCCCN 34a_100011996573_100000042594 [0,2,0,0,0,0|2,0,0]=4 9411 B15R0.164 CC(=O)OCCCSCCCCCCCO 62a_100000042594_100000760002 [0,2,0,0,0,0|2,0,0]=4 9412 B15R0.164 CC(=O)OCCCSCCCCCCCO 62a_100000760002_100000042594 [0,2,0,0,0,0|2,0,0]=4 9413 B15R0.164 CC(=O)OCCNCCCCCCCCO 34a_102515433106_100009814007 [0,2,0,0,0,0|2,0,0]=4 9414 B15R0.164 CC(=O)OCCOCCCCCCCCBr 34a_100009813846_100009814007 [0,2,0,0,0,0|2,0,0]=4 9415 B15R0.164 CC(=O)OCCOCCCCCCCCBr 7a_100009813846_100009814007 [0,2,0,0,0,0|2,0,0]=4 9416 B15R0.164 CC(=O)OCCOCCCCCCCCCl 34a_100000033203_100009814007 [0,2,0,0,0,0|2,0,0]=4 9417 B15R0.164 CC(=O)OCCOCCCCCCCCCl 7a_100000033203_100009814007 [0,2,0,0,0,0|2,0,0]=4 9418 B15R0.164 CC(=O)OCCOCCCCCCCCN 34a_102515433106_100009814007 [0,2,0,0,0,0|2,0,0]=4 9419 B15R0.164 CC(=O)OCCSCCCCCCCCO 62a_100000033203_100009814007 [0,2,0,0,0,0|2,0,0]=4 9420 B15R0.164 CC(=O)OCCSCCCCCCCCO 62a_100009814007_100000033203 [0,2,0,0,0,0|2,0,0]=4 9421 B15R0.164 CC(=O)OCNCCCCCCCCCO 34a_100000078944_100009813279 [0,2,0,0,0,0|2,0,0]=4 9422 B15R0.164 CC(=O)OCOCCCCCCCCCBr 34a_100009813782_100009813279 [0,2,0,0,0,0|2,0,0]=4 9423 B15R0.164 CC(=O)OCOCCCCCCCCCCl 34a_100009868337_100009813279 [0,2,0,0,0,0|2,0,0]=4 9424 B15R0.164 CC(=O)OCOCCCCCCCCCN 34a_100000078944_100009813279 [0,2,0,0,0,0|2,0,0]=4 9425 B15R0.164 CC(=O)OCSCCCCCCCCCO 62a_100000076356_100009813782 [0,2,0,0,0,0|2,0,0]=4 9426 B15R0.164 CC(=O)OCSCCCCCCCCCO 62a_100009813782_100000076356 [0,2,0,0,0,0|2,0,0]=4 9427 B15R0.164 CC(=O)SCCCCNCCCCCCO 2230a_100000686447_200010402107 [0,2,0,0,0,0|2,0,0]=4 9428 B15R0.164 CC(=O)SCCCCNCCCCCCO 34a_100000686447_200010402107 [0,2,0,0,0,0|2,0,0]=4 9429 B15R0.164 CC(=O)SCCCCOCCCCCCBr 34a_100011215345_200010402107 [0,2,0,0,0,0|2,0,0]=4 9430 B15R0.164 CC(=O)SCCCCOCCCCCCBr 7a_100011215345_200010402107 [0,2,0,0,0,0|2,0,0]=4 9431 B15R0.164 CC(=O)SCCCCOCCCCCCCl 34a_100000766143_200010402107 [0,2,0,0,0,0|2,0,0]=4 9432 B15R0.164 CC(=O)SCCCCOCCCCCCCl 7a_100000766143_200010402107 [0,2,0,0,0,0|2,0,0]=4 9433 B15R0.164 CC(=O)SCCCCOCCCCCCF 34a_100000732779_200010402107 [0,2,0,0,0,0|2,0,0]=4 9434 B15R0.164 CC(=O)SCCCCOCCCCCCF 7a_100000732779_200010402107 [0,2,0,0,0,0|2,0,0]=4 9435 B15R0.164 CC(=O)SCCCCOCCCCCCN 34a_100000686447_200010402107 [0,2,0,0,0,0|2,0,0]=4 9436 B15R0.164 CC(=O)SCCCCSCCCCCCF 62a_100015922095_200010402107 [0,2,0,0,0,0|2,0,0]=4 9437 B15R0.164 CC(=O)SCCCCSCCCCCCF 62a_200010402107_100015922095 [0,2,0,0,0,0|2,0,0]=4 9438 B15R0.164 CC(=O)SCCCCSCCCCCCO 62a_100000766143_200010402107 [0,2,0,0,0,0|2,0,0]=4 9439 B15R0.164 CC(=O)SCCCCSCCCCCCO 62a_200010402107_100000766143 [0,2,0,0,0,0|2,0,0]=4 9440 B15R0.164 CC(=O)SCCCNCCCCCCCO 2230a_100011996573_100000038929 [0,2,0,0,0,0|2,0,0]=4 9441 B15R0.164 CC(=O)SCCCNCCCCCCCO 34a_100011996573_100000038929 [0,2,0,0,0,0|2,0,0]=4 9442 B15R0.164 CC(=O)SCCCOCCCCCCCBr 34a_100000760002_100000038929 [0,2,0,0,0,0|2,0,0]=4 9443 B15R0.164 CC(=O)SCCCOCCCCCCCBr 7a_100000760002_100000038929 [0,2,0,0,0,0|2,0,0]=4 9444 B15R0.164 CC(=O)SCCCOCCCCCCCN 34a_100011996573_100000038929 [0,2,0,0,0,0|2,0,0]=4 9445 B15R0.164 CC(=O)SCCCSCCCCCCCO 62a_100000038929_100000760002 [0,2,0,0,0,0|2,0,0]=4 9446 B15R0.164 CC(=O)SCCCSCCCCCCCO 62a_100000760002_100000038929 [0,2,0,0,0,0|2,0,0]=4 9447 B15R0.164 CC/C=C/CCCOCCCCCC(=O)N 34a_100016287902_100009817443 [0,2,0,0,0,0|1,0,1]=4 9448 B15R0.164 CC/C=C/CCCOCCCCCC(=O)N 7a_100016287902_100009817443 [0,2,0,0,0,0|1,0,1]=4 9449 B15R0.164 CC/C=C\CCCCCNCCCC(=O)N 269862a_100000739312_100016288537 [0,2,0,0,0,0|1,0,1]=4 9450 B15R0.164 CC/C=C\CCCCCOCCCC(=O)C 34a_100016268722_100000685027 [0,2,0,0,0,0|1,0,1]=4 9451 B15R0.164 CC/C=C\CCCCCOCCCC(=O)C 7a_100016268722_100011215641 [0,2,0,0,0,0|1,0,1]=4 9452 B15R0.164 CC/C=C\CCCCCOCCCC(=O)N 34a_100016268722_100102525003 [0,2,0,0,0,0|1,0,1]=4 9453 B15R0.164 CC/C=C\CCCCCOCCCC(=O)N 7a_100016268722_100102525003 [0,2,0,0,0,0|1,0,1]=4 9454 B15R0.164 CC/C=C\CCCCOCCCCC(=O)C 34a_100016287862_100009817362 [0,2,0,0,0,0|1,0,1]=4 9455 B15R0.164 CC/C=C\CCCCOCCCCC(=O)C 7a_100016287862_100000735457 [0,2,0,0,0,0|1,0,1]=4 9456 B15R0.164 CCC#CCCCCCCOCCC(=O)C 34a_100000759926_200000036426 [0,2,0,0,0,0|1,0,1]=4 9457 B15R0.164 CCC#CCCCCCCOCCC(=O)C 7a_100000759926_200000036426 [0,2,0,0,0,0|1,0,1]=4 9458 B15R0.164 CCC#CCCCCCCOCCC(=O)N 34a_100000757172_200000036426 [0,2,0,0,0,0|1,0,1]=4 9459 B15R0.164 CCC#CCCCCCCOCCC(=O)N 7a_100000757172_200000036426 [0,2,0,0,0,0|1,0,1]=4 9460 B15R0.164 CCC#CCCCCCCSCCC(=O)C 62a_100000053229_200000036426 [0,2,0,0,0,0|1,0,1]=4 9461 B15R0.164 CCC#CCCCCCCSCCC(=O)C 62a_200000036426_100000053229 [0,2,0,0,0,0|1,0,1]=4 9462 B15R0.164 CCC#CCCCCCCSCCC(=O)N 62a_100000744528_200000036426 [0,2,0,0,0,0|1,0,1]=4 9463 B15R0.164 CCC#CCCCCCCSCCC(=O)N 62a_200000036426_100000744528 [0,2,0,0,0,0|1,0,1]=4 9464 B15R0.164 CCCC#CCCOCCCCCC(=O)N 34a_100000042726_100009817443 [0,2,0,0,0,0|1,0,1]=4 9465 B15R0.164 CCCC#CCCOCCCCCC(=O)N 7a_100000042726_100009817443 [0,2,0,0,0,0|1,0,1]=4 9466 B15R0.164 CCCC/C=C/CCCCOCCC(=O)C 7a_200020645093_100000053229 [0,2,0,0,0,0|1,0,1]=4 9467 B15R0.164 CCCC/C=C/CCCCOCCC(=O)N 34a_200020645093_100000731001 [0,2,0,0,0,0|1,0,1]=4 9468 B15R0.164 CCCC/C=C/CCCCOCCC(=O)N 7a_200020645093_100000744528 [0,2,0,0,0,0|1,0,1]=4 9469 B15R0.164 CCCC/C=C/COCCCCCC(=O)N 34a_200016272032_100009817443 [0,2,0,0,0,0|1,0,1]=4 9470 B15R0.164 CCCC/C=C/COCCCCCC(=O)N 7a_200016272032_100009817443 [0,2,0,0,0,0|1,0,1]=4 9471 B15R0.164 CCCC/C=C\CCOCCCCC(=O)C 34a_200016286491_100009817362 [0,2,0,0,0,0|1,0,1]=4 9472 B15R0.164 CCCC/C=C\CCOCCCCC(=O)C 7a_200016286491_100000735457 [0,2,0,0,0,0|1,0,1]=4 9473 B15R0.164 CCCCC#CCCCCOCCC(=O)C 7a_200000066234_100000053229 [0,2,0,0,0,0|1,0,1]=4 9474 B15R0.164 CCCCC#CCCCCOCCC(=O)N 34a_200000066234_100000731001 [0,2,0,0,0,0|1,0,1]=4 9475 B15R0.164 CCCCC#CCCCCOCCC(=O)N 7a_200000066234_100000744528 [0,2,0,0,0,0|1,0,1]=4 9476 B15R0.164 CCCCC#CCCCNCCCC(=O)N 34a_100000739312_200000047210 [0,2,0,0,0,0|1,0,1]=4 9477 B15R0.164 CCCCC#CCCCOCCCC(=O)C 34a_100000759063_200000047210 [0,2,0,0,0,0|1,0,1]=4 9478 B15R0.164 CCCCC#CCCCOCCCC(=O)C 7a_100000759063_200000047210 [0,2,0,0,0,0|1,0,1]=4 9479 B15R0.164 CCCCC#CCCCSCCCC(=O)C 62a_100011215641_200000047210 [0,2,0,0,0,0|1,0,1]=4 9480 B15R0.164 CCCCC#CCCCSCCCC(=O)C 62a_200000047210_100011215641 [0,2,0,0,0,0|1,0,1]=4 9481 B15R0.164 CCCCC#CCCCSCCCC(=O)N 62a_100102525003_200000047210 [0,2,0,0,0,0|1,0,1]=4 9482 B15R0.164 CCCCC#CCCCSCCCC(=O)N 62a_200000047210_100102525003 [0,2,0,0,0,0|1,0,1]=4 9483 B15R0.164 CCCCC#CCCOCCCCC(=O)C 34a_100000037610_100009817362 [0,2,0,0,0,0|1,0,1]=4 9484 B15R0.164 CCCCC#CCCOCCCCC(=O)C 7a_100000037610_100000735457 [0,2,0,0,0,0|1,0,1]=4 9485 B15R0.164 CCCCC#CCOCCCCCC(=O)N 34a_200000034558_100009817443 [0,2,0,0,0,0|1,0,1]=4 9486 B15R0.164 CCCCC#CCOCCCCCC(=O)N 7a_200000034558_100009817443 [0,2,0,0,0,0|1,0,1]=4 9487 B15R0.164 CCCCC/C=C/COCCCCC(=O)C 34a_100016258190_100009817362 [0,2,0,0,0,0|1,0,1]=4 9488 B15R0.164 CCCCC/C=C/COCCCCC(=O)C 7a_100016258190_100000735457 [0,2,0,0,0,0|1,0,1]=4 9489 B15R0.164 CCCCC/C=C\CCCOCCC(=O)C 7a_100020655193_100000053229 [0,2,0,0,0,0|1,0,1]=4 9490 B15R0.164 CCCCC/C=C\CCCOCCC(=O)N 34a_100020655193_100000731001 [0,2,0,0,0,0|1,0,1]=4 9491 B15R0.164 CCCCC/C=C\CCCOCCC(=O)N 7a_100020655193_100000744528 [0,2,0,0,0,0|1,0,1]=4 9492 B15R0.164 CCCCC/C=C\CCOCCCC(=O)C 34a_100016277358_100000685027 [0,2,0,0,0,0|1,0,1]=4 9493 B15R0.164 CCCCC/C=C\CCOCCCC(=O)C 7a_100016277358_100011215641 [0,2,0,0,0,0|1,0,1]=4 9494 B15R0.164 CCCCC/C=C\CCOCCCC(=O)N 34a_100016277358_100102525003 [0,2,0,0,0,0|1,0,1]=4 9495 B15R0.164 CCCCC/C=C\CCOCCCC(=O)N 7a_100016277358_100102525003 [0,2,0,0,0,0|1,0,1]=4 9496 B15R0.164 CCCCCC#CCCOCCCC(=O)C 34a_200000042877_100000685027 [0,2,0,0,0,0|1,0,1]=4 9497 B15R0.164 CCCCCC#CCCOCCCC(=O)C 7a_200000042877_100011215641 [0,2,0,0,0,0|1,0,1]=4 9498 B15R0.164 CCCCCC#CCCOCCCC(=O)N 34a_200000042877_100102525003 [0,2,0,0,0,0|1,0,1]=4 9499 B15R0.164 CCCCCC#CCCOCCCC(=O)N 7a_200000042877_100102525003 [0,2,0,0,0,0|1,0,1]=4 9500 B15R0.164 CCCCCC#CCNCCCCC(=O)N 34a_100000696515_100009816472 [0,2,0,0,0,0|1,0,1]=4 9501 B15R0.164 CCCCCC#CCOCCCCC(=O)C 34a_200000033628_100009817362 [0,2,0,0,0,0|1,0,1]=4 9502 B15R0.164 CCCCCC#CCOCCCCC(=O)C 7a_200000033628_100000735457 [0,2,0,0,0,0|1,0,1]=4 9503 B15R0.164 CCCCCC#CCOCCCCC(=O)N 34a_100012022536_100009816472 [0,2,0,0,0,0|1,0,1]=4 9504 B15R0.164 CCCCCC#CCOCCCCC(=O)N 7a_100012022536_100009816472 [0,2,0,0,0,0|1,0,1]=4 9505 B15R0.164 CCCCCC#CCSCCCCC(=O)C 62a_100000735457_100009816472 [0,2,0,0,0,0|1,0,1]=4 9506 B15R0.164 CCCCCC#CCSCCCCC(=O)C 62a_100009816472_100000735457 [0,2,0,0,0,0|1,0,1]=4 9507 B15R0.164 CCCCCC/C=C/COCCCC(=O)C 34a_200016276170_100000685027 [0,2,0,0,0,0|1,0,1]=4 9508 B15R0.164 CCCCCC/C=C/COCCCC(=O)C 7a_200016276170_100011215641 [0,2,0,0,0,0|1,0,1]=4 9509 B15R0.164 CCCCCC/C=C/COCCCC(=O)N 34a_200016276170_100102525003 [0,2,0,0,0,0|1,0,1]=4 9510 B15R0.164 CCCCCC/C=C/COCCCC(=O)N 7a_200016276170_100102525003 [0,2,0,0,0,0|1,0,1]=4 9511 B15R0.164 CCCCCCC#CCCOCCC(=O)C 7a_200000033163_100000053229 [0,2,0,0,0,0|1,0,1]=4 9512 B15R0.164 CCCCCCC#CCCOCCC(=O)N 34a_200000033163_100000731001 [0,2,0,0,0,0|1,0,1]=4 9513 B15R0.164 CCCCCCC#CCCOCCC(=O)N 7a_200000033163_100000744528 [0,2,0,0,0,0|1,0,1]=4 9514 B15R0.164 CCCCCCC#CCOCCCC(=O)C 34a_200000037284_100000685027 [0,2,0,0,0,0|1,0,1]=4 9515 B15R0.164 CCCCCCC#CCOCCCC(=O)C 7a_200000037284_100011215641 [0,2,0,0,0,0|1,0,1]=4 9516 B15R0.164 CCCCCCC#CCOCCCC(=O)N 34a_200000037284_100102525003 [0,2,0,0,0,0|1,0,1]=4 9517 B15R0.164 CCCCCCC#CCOCCCC(=O)N 7a_200000037284_100102525003 [0,2,0,0,0,0|1,0,1]=4 9518 B15R0.164 CCCCCCCC#CCOCCC(=O)C 7a_200000061759_100000053229 [0,2,0,0,0,0|1,0,1]=4 9519 B15R0.164 CCCCCCCC#CCOCCC(=O)N 34a_200000061759_100000731001 [0,2,0,0,0,0|1,0,1]=4 9520 B15R0.164 CCCCCCCC#CCOCCC(=O)N 7a_200000061759_100000744528 [0,2,0,0,0,0|1,0,1]=4 9521 B15R0.164 CCCCCCCC/C=C/COCC(=O)N 34a_200020667288_100000187820 [0,2,0,0,0,0|1,0,1]=4 9522 B15R0.164 CCCCCCCC/C=C/COCC(=O)N 7a_200020667288_100000187820 [0,2,0,0,0,0|1,0,1]=4 9523 B15R0.164 CCCCCCCC/C=C/COCC(=O)[O-] 34a_200020667288_100020667443 [0,2,0,0,0,0|1,0,1]=4 9524 B15R0.164 CCCCCCCCCCC=NNC(=O)C 4a_100000189765_100011218819 [0,2,0,0,0,0|1,0,1]=4 9525 B15R0.164 CCCCCCCCCCCCNC(=O)C 11a_100000210451_100015343762 [0,2,0,0,0,0|1,0,0]=3 9526 B15R0.164 CCCCCCCCCCCCNC(=O)C 1626a_100000210451_100015343762 [0,2,0,0,0,0|1,0,0]=3 9527 B15R0.164 CCCCCCCCCCCCNC(=O)C 240690a_100000210451_100015343762 [0,2,0,0,0,0|1,0,0]=3 9528 B15R0.164 CCCCCCCCCCCCNC(=O)C 527a_100000210451_100103153847 [0,2,0,0,0,0|1,0,0]=3 9529 B15R0.164 CCCCCCCCCCCNCC(=O)N 2230a_100000711301_100011215454 [0,2,0,0,0,0|1,0,0]=3 9530 B15R0.164 CCCCCCCCCCCNCC(=O)N 2230a_200011215754_100000747473 [0,2,0,0,0,0|1,0,0]=3 9531 B15R0.164 CCCCCCCCCCCNCC(=O)N 34a_200011215754_100000187820 [0,2,0,0,0,0|1,0,0]=3 9532 B15R0.164 CCCCCCCCCCCNCC(=O)O 269956a_100016091260_100011215454 [0,2,0,0,0,0|1,0,0]=3 9533 B15R0.164 CCCCCCCCCCCNCC(=O)[O-] 34a_200011215754_100020667443 [0,2,0,0,0,0|1,0,0]=3 9534 B15R0.164 CCCCCCCCCCCNC[N+](=O)[O-] 34a_200011215754_100000761209 [0,2,0,0,0,0|2,0,0]=4 9535 B15R0.164 CCCCCCCCCCCOCC(=O)C 34a_100000211253_100011215454 [0,2,0,0,0,0|1,0,0]=3 9536 B15R0.164 CCCCCCCCCCCOCC(=O)N 34a_100000210809_100000187820 [0,2,0,0,0,0|1,0,0]=3 9537 B15R0.164 CCCCCCCCCCCOCC(=O)N 7a_100000210809_100000187820 [0,2,0,0,0,0|1,0,0]=3 9538 B15R0.164 CCCCCCCCCCCOCC(=O)[O-] 34a_100000210809_100020667443 [0,2,0,0,0,0|1,0,0]=3 9539 B15R0.164 CCCCCCCCCCCOC[N+](=O)[O-] 34a_100000210809_100000761209 [0,2,0,0,0,0|2,0,0]=4 9540 B15R0.164 CCCCCCCCCCCSCC(=O)N 62a_100000747473_100011215454 [0,2,0,0,0,0|1,0,0]=3 9541 B15R0.164 CCCCCCCCCCCSCC(=O)[O-] 62a_100020667443_100011215454 [0,2,0,0,0,0|1,0,0]=3 9542 B15R0.164 CCCCCCCCCCNCC=C(C)C 2230a_100000684558_100000761012 [0,2,0,0,0,0|2,0,0]=4 9543 B15R0.164 CCCCCCCCCCNCC=C(C)C 34a_100000684558_100000761012 [0,2,0,0,0,0|2,0,0]=4 9544 B15R0.164 CCCCCCCCCCNCC=C(C)C 34a_100000718196_100000210320 [0,2,0,0,0,0|2,0,0]=4 9545 B15R0.164 CCCCCCCCCCNCCC(=O)N 2230a_100000684558_100000744528 [0,2,0,0,0,0|1,0,0]=3 9546 B15R0.164 CCCCCCCCCCNCCC(=O)N 34a_100000684558_100000731001 [0,2,0,0,0,0|1,0,0]=3 9547 B15R0.164 CCCCCCCCCCNCOC(=O)C 34a_100000684558_100009813279 [0,2,0,0,0,0|1,0,0]=3 9548 B15R0.164 CCCCCCCCCCNOCC(=O)O 269956a_100000106656_100000210320 [0,2,0,0,0,0|1,0,0]=3 9549 B15R0.164 CCCCCCCCCCOCCC(=O)C 34a_100000759926_100000210320 [0,2,0,0,0,0|1,0,0]=3 9550 B15R0.164 CCCCCCCCCCOCCC(=O)C 7a_100000210711_100000053229 [0,2,0,0,0,0|1,0,0]=3 9551 B15R0.164 CCCCCCCCCCOCCC(=O)C 7a_100000759926_100000210320 [0,2,0,0,0,0|1,0,0]=3 9552 B15R0.164 CCCCCCCCCCOCCC(=O)N 34a_100000210711_100000731001 [0,2,0,0,0,0|1,0,0]=3 9553 B15R0.164 CCCCCCCCCCOCCC(=O)N 34a_100000757172_100000210320 [0,2,0,0,0,0|1,0,0]=3 9554 B15R0.164 CCCCCCCCCCOCCC(=O)N 7a_100000210711_100000744528 [0,2,0,0,0,0|1,0,0]=3 9555 B15R0.164 CCCCCCCCCCOCCC(=O)N 7a_100000757172_100000210320 [0,2,0,0,0,0|1,0,0]=3 9556 B15R0.164 CCCCCCCCCCOCOC(=O)C 34a_100000210711_100009813279 [0,2,0,0,0,0|1,0,0]=3 9557 B15R0.164 CCCCCCCCCCSCCC(=O)C 62a_100000053229_100000210320 [0,2,0,0,0,0|1,0,0]=3 9558 B15R0.164 CCCCCCCCCCSCCC(=O)N 62a_100000744528_100000210320 [0,2,0,0,0,0|1,0,0]=3 9559 B15R0.164 CCCCCCCCCCSCOC(=O)C 62a_100000076356_100000210320 [0,2,0,0,0,0|1,0,0]=3 9560 B15R0.164 CCCCCCCCCNCCC=C(C)C 2230a_100000212291_100011217483 [0,2,0,0,0,0|2,0,0]=4 9561 B15R0.164 CCCCCCCCCNCCC=C(C)C 34a_100000212291_100011217483 [0,2,0,0,0,0|2,0,0]=4 9562 B15R0.164 CCCCCCCCCNCCC=C(F)F 2230a_100000212291_200009816681 [0,2,0,0,0,0|1,1,0]=4 9563 B15R0.164 CCCCCCCCCNCCC=C(F)F 34a_100000212291_200009816681 [0,2,0,0,0,0|1,1,0]=4 9564 B15R0.164 CCCCCCCCCNCCCC(=O)C 34a_100000212291_100000685027 [0,2,0,0,0,0|1,0,0]=3 9565 B15R0.164 CCCCCCCCCNCCCC(=O)N 34a_100000212291_100102525003 [0,2,0,0,0,0|1,0,0]=3 9566 B15R0.164 CCCCCCCCCNCCCC(=O)N 34a_100000739312_100011214924 [0,2,0,0,0,0|1,0,0]=3 9567 B15R0.164 CCCCCCCCCNCCCS(=O)C 2230a_200000753449_100011214924 [0,2,0,0,0,0|2,0,0]=4 9568 B15R0.164 CCCCCCCCCNCCNC(=O)C 2230a_100000209853_100011214924 [0,2,0,0,0,0|1,0,0]=3 9569 B15R0.164 CCCCCCCCCNCCNC(=O)C 2230a_100000212291_100000189650 [0,2,0,0,0,0|1,0,0]=3 9570 B15R0.164 CCCCCCCCCNCCNC(=O)N 2230a_100000212291_200000034859 [0,2,0,0,0,0|1,0,0]=3 9571 B15R0.164 CCCCCCCCCNCCNC(=O)N 34a_100020590234_100011214924 [0,2,0,0,0,0|1,0,0]=3 9572 B15R0.164 CCCCCCCCCNCCOC(=O)C 34a_100000212291_100009814007 [0,2,0,0,0,0|1,0,0]=3 9573 B15R0.164 CCCCCCCCCNCCOC(=O)N 34a_100000212291_200011214921 [0,2,0,0,0,0|1,0,0]=3 9574 B15R0.164 CCCCCCCCCOCCC=C(F)F 34a_100000210712_200009816681 [0,2,0,0,0,0|1,1,0]=4 9575 B15R0.164 CCCCCCCCCOCCC=C(F)F 7a_100000210712_200009816681 [0,2,0,0,0,0|1,1,0]=4 9576 B15R0.164 CCCCCCCCCOCCCC(=O)C 34a_100000210712_100000685027 [0,2,0,0,0,0|1,0,0]=3 9577 B15R0.164 CCCCCCCCCOCCCC(=O)C 34a_100000759063_100011214924 [0,2,0,0,0,0|1,0,0]=3 9578 B15R0.164 CCCCCCCCCOCCCC(=O)C 7a_100000210712_100011215641 [0,2,0,0,0,0|1,0,0]=3 9579 B15R0.164 CCCCCCCCCOCCCC(=O)C 7a_100000759063_100000210328 [0,2,0,0,0,0|1,0,0]=3 9580 B15R0.164 CCCCCCCCCOCCCC(=O)N 34a_100000210712_100102525003 [0,2,0,0,0,0|1,0,0]=3 9581 B15R0.164 CCCCCCCCCOCCCC(=O)N 7a_100000210712_100102525003 [0,2,0,0,0,0|1,0,0]=3 9582 B15R0.164 CCCCCCCCCOCCC[N+](=O)[O-] 34a_200000037920_100011214924 [0,2,0,0,0,0|2,0,0]=4 9583 B15R0.164 CCCCCCCCCOCCNC(=O)C 34a_100000158858_100011214924 [0,2,0,0,0,0|1,0,0]=3 9584 B15R0.164 CCCCCCCCCOCCNC(=O)C 7a_100000210712_100000189650 [0,2,0,0,0,0|1,0,0]=3 9585 B15R0.164 CCCCCCCCCOCCNC(=O)N 34a_100000181757_100011214924 [0,2,0,0,0,0|1,0,0]=3 9586 B15R0.164 CCCCCCCCCOCCNC(=O)N 7a_100000210712_200000034859 [0,2,0,0,0,0|1,0,0]=3 9587 B15R0.164 CCCCCCCCCOCCOC(=O)C 34a_100000210712_100009814007 [0,2,0,0,0,0|1,0,0]=3 9588 B15R0.164 CCCCCCCCCOCCOC(=O)C 7a_100000210712_100009814007 [0,2,0,0,0,0|1,0,0]=3 9589 B15R0.164 CCCCCCCCCOCCOC(=O)N 34a_100000210712_200011214921 [0,2,0,0,0,0|1,0,0]=3 9590 B15R0.164 CCCCCCCCCOCCOC(=O)N 7a_100000210712_200011214921 [0,2,0,0,0,0|1,0,0]=3 9591 B15R0.164 CCCCCCCCCOCCOC(=O)N 7a_100000766696_100000210328 [0,2,0,0,0,0|1,0,0]=3 9592 B15R0.164 CCCCCCCCCSCCCC(=O)C 62a_100011215641_100000210670 [0,2,0,0,0,0|1,0,0]=3 9593 B15R0.164 CCCCCCCCCSCCCC(=O)N 62a_100102525003_100000210670 [0,2,0,0,0,0|1,0,0]=3 9594 B15R0.164 CCCCCCCCCSCCNC(=O)C 62a_100000189650_100000210670 [0,2,0,0,0,0|1,0,0]=3 9595 B15R0.164 CCCCCCCCCSCCNC(=O)N 62a_200000034859_100000210670 [0,2,0,0,0,0|1,0,0]=3 9596 B15R0.164 CCCCCCCCCSCCOC(=O)C 62a_100009814007_100000210670 [0,2,0,0,0,0|1,0,0]=3 9597 B15R0.164 CCCCCCCCCSCCOC(=O)N 62a_200011214921_100000210670 [0,2,0,0,0,0|1,0,0]=3 9598 B15R0.164 CCCCCCCCNCCCCC(=O)C 34a_100000229939_100009817362 [0,2,0,0,0,0|1,0,0]=3 9599 B15R0.164 CCCCCCCCNCCCCC(=O)N 34a_100000696515_100000210759 [0,2,0,0,0,0|1,0,0]=3 9600 B15R0.164 CCCCCCCCNCCCNC(=O)C 34a_100000736810_100000210759 [0,2,0,0,0,0|1,0,0]=3 9601 B15R0.164 CCCCCCCCNCCCOC(=O)C 34a_100000229939_100000042594 [0,2,0,0,0,0|1,0,0]=3 9602 B15R0.164 CCCCCCCCNCCCOC(=S)C 2230a_100000229939_200135323944 [0,2,0,0,0,0|1,1,0]=4 9603 B15R0.164 CCCCCCCCNCCCOC(=S)C 34a_100000229939_200135323944 [0,2,0,0,0,0|1,1,0]=4 9604 B15R0.164 CCCCCCCCNCCCSC(=O)C 2230a_100000229939_100000038929 [0,2,0,0,0,0|1,0,0]=3 9605 B15R0.164 CCCCCCCCNCCCSC(=O)C 34a_100000229939_100000038929 [0,2,0,0,0,0|1,0,0]=3 9606 B15R0.164 CCCCCCCCNCCOCC(=O)N 2230a_100000229939_100000076697 [0,2,0,0,0,0|1,0,0]=3 9607 B15R0.164 CCCCCCCCNCCOCC(=O)N 34a_100000229939_100000076697 [0,2,0,0,0,0|1,0,0]=3 9608 B15R0.164 CCCCCCCCNCCOCC(=O)O 269956a_100000700818_100000210759 [0,2,0,0,0,0|1,0,0]=3 9609 B15R0.164 CCCCCCCCOCCCCC(=O)C 34a_100000210232_100009817362 [0,2,0,0,0,0|1,0,0]=3 9610 B15R0.164 CCCCCCCCOCCCCC(=O)C 7a_100000210232_100000735457 [0,2,0,0,0,0|1,0,0]=3 9611 B15R0.164 CCCCCCCCOCCCCC(=O)N 34a_100012022536_100000210759 [0,2,0,0,0,0|1,0,0]=3 9612 B15R0.164 CCCCCCCCOCCCCC(=O)N 7a_100012022536_100000210759 [0,2,0,0,0,0|1,0,0]=3 9613 B15R0.164 CCCCCCCCOCCCC[N+](=O)[O-] 34a_200015379883_100000210759 [0,2,0,0,0,0|2,0,0]=4 9614 B15R0.164 CCCCCCCCOCCCC[N+](=O)[O-] 7a_200015379883_100000210759 [0,2,0,0,0,0|2,0,0]=4 9615 B15R0.164 CCCCCCCCOCCCNC(=O)C 34a_100000752032_100000210759 [0,2,0,0,0,0|1,0,0]=3 9616 B15R0.164 CCCCCCCCOCCCOC(=O)C 34a_100000210232_100000042594 [0,2,0,0,0,0|1,0,0]=3 9617 B15R0.164 CCCCCCCCOCCCOC(=O)C 7a_100000210232_100000042594 [0,2,0,0,0,0|1,0,0]=3 9618 B15R0.164 CCCCCCCCOCCCOC(=S)C 34a_100000210232_200135323944 [0,2,0,0,0,0|1,1,0]=4 9619 B15R0.164 CCCCCCCCOCCCOC(=S)C 7a_100000210232_200135323944 [0,2,0,0,0,0|1,1,0]=4 9620 B15R0.164 CCCCCCCCOCCCSC(=O)C 34a_100000210232_100000038929 [0,2,0,0,0,0|1,0,0]=3 9621 B15R0.164 CCCCCCCCOCCCSC(=O)C 7a_100000210232_100000038929 [0,2,0,0,0,0|1,0,0]=3 9622 B15R0.164 CCCCCCCCOCCOCC(=O)N 34a_100000210232_100000076697 [0,2,0,0,0,0|1,0,0]=3 9623 B15R0.164 CCCCCCCCOCCOCC(=O)N 7a_100000210232_100000076697 [0,2,0,0,0,0|1,0,0]=3 9624 B15R0.164 CCCCCCCCSCCCCC(=O)C 62a_100000210759_100000735457 [0,2,0,0,0,0|1,0,0]=3 9625 B15R0.164 CCCCCCCCSCCCCC(=O)C 62a_100000735457_100000210317 [0,2,0,0,0,0|1,0,0]=3 9626 B15R0.164 CCCCCCCCSCCCOC(=O)C 62a_100000042594_100000210317 [0,2,0,0,0,0|1,0,0]=3 9627 B15R0.164 CCCCCCCCSCCCOC(=O)C 62a_100000210759_100000042594 [0,2,0,0,0,0|1,0,0]=3 9628 B15R0.164 CCCCCCCCSCCCOC(=S)C 62a_100000210759_200135323944 [0,2,0,0,0,0|1,1,0]=4 9629 B15R0.164 CCCCCCCCSCCCOC(=S)C 62a_200135323944_100000210317 [0,2,0,0,0,0|1,1,0]=4 9630 B15R0.164 CCCCCCCCSCCCSC(=O)C 62a_100000038929_100000210317 [0,2,0,0,0,0|1,0,0]=3 9631 B15R0.164 CCCCCCCCSCCCSC(=O)C 62a_100000210759_100000038929 [0,2,0,0,0,0|1,0,0]=3 9632 B15R0.164 CCCCCCCCSCCOCC(=O)N 62a_100000076697_100000210317 [0,2,0,0,0,0|1,0,0]=3 9633 B15R0.164 CCCCCCCCSCCOCC(=O)N 62a_100000210759_100000076697 [0,2,0,0,0,0|1,0,0]=3 9634 B15R0.164 CCCCCCCNCCCCCC(=O)N 2230a_100000229938_100009817443 [0,2,0,0,0,0|1,0,0]=3 9635 B15R0.164 CCCCCCCNCCCCNC(=O)C 2230a_200011368371_100000210681 [0,2,0,0,0,0|1,0,0]=3 9636 B15R0.164 CCCCCCCNCCCCNC(=O)C 34a_200011368371_100000210614 [0,2,0,0,0,0|1,0,0]=3 9637 B15R0.164 CCCCCCCNCCCCSC(=O)C 2230a_100000229938_200010402107 [0,2,0,0,0,0|1,0,0]=3 9638 B15R0.164 CCCCCCCOCCCCCC(=O)N 34a_100000123541_100000210614 [0,2,0,0,0,0|1,0,0]=3 9639 B15R0.164 CCCCCCCOCCCCCC(=O)N 34a_100000210272_100009817443 [0,2,0,0,0,0|1,0,0]=3 9640 B15R0.164 CCCCCCCOCCCCCC(=O)N 7a_100000123541_100000210614 [0,2,0,0,0,0|1,0,0]=3 9641 B15R0.164 CCCCCCCOCCCCCC(=O)N 7a_100000210272_100009817443 [0,2,0,0,0,0|1,0,0]=3 9642 B15R0.164 CCCCCCCOCCCCCC(=O)[O-] 7a_100102619762_100000210614 [0,2,0,0,0,0|1,0,0]=3 9643 B15R0.164 CCCCCCCOCCCCOC(=O)C 34a_100000073216_100000210614 [0,2,0,0,0,0|1,0,0]=3 9644 B15R0.164 CCCCCCCOCCCCOC(=O)C 34a_100000210272_100000033659 [0,2,0,0,0,0|1,0,0]=3 9645 B15R0.164 CCCCCCCOCCCCOC(=O)C 7a_100000073216_100000210614 [0,2,0,0,0,0|1,0,0]=3 9646 B15R0.164 CCCCCCCOCCCCOC(=O)C 7a_100000210272_100000033659 [0,2,0,0,0,0|1,0,0]=3 9647 B15R0.164 CCCCCCCOCCCCO[N+](=O)[O-] 34a_100000210272_100015694321 [0,2,0,0,0,0|2,0,0]=4 9648 B15R0.164 CCCCCCCOCCCCO[N+](=O)[O-] 7a_100000210272_100015694321 [0,2,0,0,0,0|2,0,0]=4 9649 B15R0.164 CCCCCCCOCCCCSC(=O)C 34a_100000210272_200010402107 [0,2,0,0,0,0|1,0,0]=3 9650 B15R0.164 CCCCCCCOCCCCSC(=O)C 7a_100000210272_200010402107 [0,2,0,0,0,0|1,0,0]=3 9651 B15R0.164 CCCCCCCOCOCCOC(=O)C 34a_100000210272_100000076355 [0,2,0,0,0,0|2,0,0]=4 9652 B15R0.164 CCCCCCCSCCCCCC(=O)N 62a_100000210614_100009817443 [0,2,0,0,0,0|1,0,0]=3 9653 B15R0.164 CCCCCCCSCCCCCC(=O)N 62a_100009817443_100000210316 [0,2,0,0,0,0|1,0,0]=3 9654 B15R0.164 CCCCCCCSCCCCOC(=O)C 62a_100000033659_100000210316 [0,2,0,0,0,0|1,0,0]=3 9655 B15R0.164 CCCCCCCSCCCCOC(=O)C 62a_100000210614_100000033659 [0,2,0,0,0,0|1,0,0]=3 9656 B15R0.164 CCCCCCCSCCCCO[N+](=O)[O-] 62a_100000210614_100015694321 [0,2,0,0,0,0|2,0,0]=4 9657 B15R0.164 CCCCCCCSCCCCSC(=O)C 62a_100000210614_200010402107 [0,2,0,0,0,0|1,0,0]=3 9658 B15R0.164 CCCCCCCSCCCCSC(=O)C 62a_200010402107_100000210316 [0,2,0,0,0,0|1,0,0]=3 9659 B15R0.164 CCCCCCCSCOCCOC(=O)C 62a_100000076355_100000210316 [0,2,0,0,0,0|2,0,0]=4 9660 B15R0.164 CCCCCCCSCOCCOC(=O)C 62a_100000210614_100000076355 [0,2,0,0,0,0|2,0,0]=4 9661 B15R0.164 CCCCCCNCCCCCNC(=O)C 2230a_200012022750_100000210314 [0,2,0,0,0,0|1,0,0]=3 9662 B15R0.164 CCCCCCNCCCCCNC(=O)C 34a_200012022750_100000210314 [0,2,0,0,0,0|1,0,0]=3 9663 B15R0.164 CCCCCCNCCCCCOC(=O)C 2230a_100000210581_100009813381 [0,2,0,0,0,0|1,0,0]=3 9664 B15R0.164 CCCCCCNCCOCCOC(=O)C 2230a_100000210581_200000083610 [0,2,0,0,0,0|2,0,0]=4 9665 B15R0.164 CCCCCCOCCCCCOC(=O)C 34a_100000210259_100000033007 [0,2,0,0,0,0|1,0,0]=3 9666 B15R0.164 CCCCCCOCCCCCOC(=O)C 7a_100000210259_100000033007 [0,2,0,0,0,0|1,0,0]=3 9667 B15R0.164 CCCCCCOCCOCCCC(=O)C 34a_100000691444_100000685027 [0,2,0,0,0,0|1,0,0]=3 9668 B15R0.164 CCCCCCOCCOCCCC(=O)C 7a_100000691444_100011215641 [0,2,0,0,0,0|1,0,0]=3 9669 B15R0.164 CCCCCCOCCOCCCC(=O)N 34a_100000691444_100102525003 [0,2,0,0,0,0|1,0,0]=3 9670 B15R0.164 CCCCCCOCCOCCCC(=O)N 7a_100000691444_100102525003 [0,2,0,0,0,0|1,0,0]=3 9671 B15R0.164 CCCCCCOCCOCCNC(=O)C 7a_100000691444_100000189650 [0,2,0,0,0,0|2,0,0]=4 9672 B15R0.164 CCCCCCOCCOCCNC(=O)N 7a_100000691444_200000034859 [0,2,0,0,0,0|2,0,0]=4 9673 B15R0.164 CCCCCCOCCOCCOC(=O)C 34a_100000210259_200000083610 [0,2,0,0,0,0|2,0,0]=4 9674 B15R0.164 CCCCCCOCCOCCOC(=O)C 34a_100000691444_100009814007 [0,2,0,0,0,0|2,0,0]=4 9675 B15R0.164 CCCCCCOCCOCCOC(=O)C 7a_100000210259_200000083610 [0,2,0,0,0,0|2,0,0]=4 9676 B15R0.164 CCCCCCOCCOCCOC(=O)C 7a_100000691444_100009814007 [0,2,0,0,0,0|2,0,0]=4 9677 B15R0.164 CCCCCCOCCOCCOC(=O)N 34a_100000691444_200011214921 [0,2,0,0,0,0|2,0,0]=4 9678 B15R0.164 CCCCCCOCCOCCOC(=O)N 7a_100000691444_200011214921 [0,2,0,0,0,0|2,0,0]=4 9679 B15R0.164 CCCCCCSCCCCCOC(=O)C 62a_100000033007_100000210757 [0,2,0,0,0,0|1,0,0]=3 9680 B15R0.164 CCCCCCSCCCCCOC(=O)C 62a_100000210314_100000033007 [0,2,0,0,0,0|1,0,0]=3 9681 B15R0.164 CCCCCCSCCOCCOC(=O)C 62a_100000210314_200000083610 [0,2,0,0,0,0|2,0,0]=4 9682 B15R0.164 CCCCCCSCCOCCOC(=O)C 62a_200000083610_100000210757 [0,2,0,0,0,0|2,0,0]=4 9683 B15R0.164 CCCCCNCCCCCCNC(=O)C 2230a_200011996284_100000210326 [0,2,0,0,0,0|1,0,0]=3 9684 B15R0.164 CCCCCNCCCCCCNC(=O)C 34a_200011996284_100000718602 [0,2,0,0,0,0|1,0,0]=3 9685 B15R0.164 CCCCCNCCOCCCCC(=O)C 34a_100000224656_100009817362 [0,2,0,0,0,0|1,0,0]=3 9686 B15R0.164 CCCCCNCCOCCCOC(=O)C 34a_100000224656_100000042594 [0,2,0,0,0,0|2,0,0]=4 9687 B15R0.164 CCCCCNCCOCCCSC(=O)C 34a_100000224656_100000038929 [0,2,0,0,0,0|2,0,0]=4 9688 B15R0.164 CCCCCNCCOCCOCC(=O)N 34a_100000224656_100000076697 [0,2,0,0,0,0|2,0,0]=4 9689 B15R0.164 CCCCCNCCOCCOCC(=O)O 269956a_100009854275_100000210326 [0,2,0,0,0,0|2,0,0]=4 9690 B15R0.164 CCCCCOCCOCCCCC(=O)C 34a_100011215259_100009817362 [0,2,0,0,0,0|1,0,0]=3 9691 B15R0.164 CCCCCOCCOCCCCC(=O)C 7a_100011215259_100000735457 [0,2,0,0,0,0|1,0,0]=3 9692 B15R0.164 CCCCCOCCOCCCOC(=O)C 34a_100011215259_100000042594 [0,2,0,0,0,0|2,0,0]=4 9693 B15R0.164 CCCCCOCCOCCCOC(=O)C 7a_100011215259_100000042594 [0,2,0,0,0,0|2,0,0]=4 9694 B15R0.164 CCCCCOCCOCCCSC(=O)C 34a_100011215259_100000038929 [0,2,0,0,0,0|2,0,0]=4 9695 B15R0.164 CCCCCOCCOCCCSC(=O)C 7a_100011215259_100000038929 [0,2,0,0,0,0|2,0,0]=4 9696 B15R0.164 CCCCCOCCOCCOCC(=O)N 34a_100011215259_100000076697 [0,2,0,0,0,0|2,0,0]=4 9697 B15R0.164 CCCCCOCCOCCOCC(=O)N 7a_100011215259_100000076697 [0,2,0,0,0,0|2,0,0]=4 9698 B15R0.164 CCCCNCCCCOCCCC(=O)C 34a_200011216965_100000685027 [0,2,0,0,0,0|1,0,0]=3 9699 B15R0.164 CCCCNCCCCOCCCC(=O)N 34a_200011216965_100102525003 [0,2,0,0,0,0|1,0,0]=3 9700 B15R0.164 CCCCNCCCCOCCOC(=O)C 34a_200011216965_100009814007 [0,2,0,0,0,0|2,0,0]=4 9701 B15R0.164 CCCCNCCCCOCCOC(=O)N 34a_200011216965_200011214921 [0,2,0,0,0,0|2,0,0]=4 9702 B15R0.164 CCCCOCCCCOCCCC(=O)C 34a_200000760531_100000685027 [0,2,0,0,0,0|1,0,0]=3 9703 B15R0.164 CCCCOCCCCOCCCC(=O)C 7a_200000760531_100011215641 [0,2,0,0,0,0|1,0,0]=3 9704 B15R0.164 CCCCOCCCCOCCCC(=O)N 34a_200000760531_100102525003 [0,2,0,0,0,0|1,0,0]=3 9705 B15R0.164 CCCCOCCCCOCCCC(=O)N 7a_200000760531_100102525003 [0,2,0,0,0,0|1,0,0]=3 9706 B15R0.164 CCCCOCCCCOCCNC(=O)C 7a_200000760531_100000189650 [0,2,0,0,0,0|2,0,0]=4 9707 B15R0.164 CCCCOCCCCOCCNC(=O)N 7a_200000760531_200000034859 [0,2,0,0,0,0|2,0,0]=4 9708 B15R0.164 CCCCOCCCCOCCOC(=O)C 34a_200000760531_100009814007 [0,2,0,0,0,0|2,0,0]=4 9709 B15R0.164 CCCCOCCCCOCCOC(=O)C 7a_200000760531_100009814007 [0,2,0,0,0,0|2,0,0]=4 9710 B15R0.164 CCCCOCCCCOCCOC(=O)N 34a_200000760531_200011214921 [0,2,0,0,0,0|2,0,0]=4 9711 B15R0.164 CCCCOCCCCOCCOC(=O)N 7a_200000760531_200011214921 [0,2,0,0,0,0|2,0,0]=4 9712 B15R0.164 CCCCOCCCNCCCCC(=O)C 34a_200000211371_100009817362 [0,2,0,0,0,0|1,0,0]=3 9713 B15R0.164 CCCCOCCCNCCCOC(=O)C 34a_200000211371_100000042594 [0,2,0,0,0,0|2,0,0]=4 9714 B15R0.164 CCCCOCCCNCCCSC(=O)C 2230a_200000211371_100000038929 [0,2,0,0,0,0|2,0,0]=4 9715 B15R0.164 CCCCOCCCNCCCSC(=O)C 34a_200000211371_100000038929 [0,2,0,0,0,0|2,0,0]=4 9716 B15R0.164 CCCCOCCCNCCOCC(=O)N 2230a_200000211371_100000076697 [0,2,0,0,0,0|2,0,0]=4 9717 B15R0.164 CCCCOCCCNCCOCC(=O)N 34a_200000211371_100000076697 [0,2,0,0,0,0|2,0,0]=4 9718 B15R0.164 CCCCOCCCOCCCCC(=O)C 34a_200011215613_100009817362 [0,2,0,0,0,0|1,0,0]=3 9719 B15R0.164 CCCCOCCCOCCCCC(=O)C 7a_200011215613_100000735457 [0,2,0,0,0,0|1,0,0]=3 9720 B15R0.164 CCCCOCCCOCCCOC(=O)C 34a_200011215613_100000042594 [0,2,0,0,0,0|2,0,0]=4 9721 B15R0.164 CCCCOCCCOCCCOC(=O)C 7a_200011215613_100000042594 [0,2,0,0,0,0|2,0,0]=4 9722 B15R0.164 CCCCOCCCOCCCSC(=O)C 34a_200011215613_100000038929 [0,2,0,0,0,0|2,0,0]=4 9723 B15R0.164 CCCCOCCCOCCCSC(=O)C 7a_200011215613_100000038929 [0,2,0,0,0,0|2,0,0]=4 9724 B15R0.164 CCCCOCCCOCCOCC(=O)N 34a_200011215613_100000076697 [0,2,0,0,0,0|2,0,0]=4 9725 B15R0.164 CCCCOCCCOCCOCC(=O)N 7a_200011215613_100000076697 [0,2,0,0,0,0|2,0,0]=4 9726 B15R0.164 CCCCOCCNCCCCNC(=O)C 2230a_200011368371_100000743108 [0,2,0,0,0,0|2,0,0]=4 9727 B15R0.164 CCCCOCCNCCCCNC(=O)C 34a_200011368371_100000743108 [0,2,0,0,0,0|2,0,0]=4 9728 B15R0.164 CCCCOCCOCCCCCC(=O)N 34a_100000123541_100000743108 [0,2,0,0,0,0|1,0,0]=3 9729 B15R0.164 CCCCOCCOCCCCCC(=O)N 34a_100000210238_100009817443 [0,2,0,0,0,0|1,0,0]=3 9730 B15R0.164 CCCCOCCOCCCCCC(=O)N 7a_100000123541_100000743108 [0,2,0,0,0,0|1,0,0]=3 9731 B15R0.164 CCCCOCCOCCCCCC(=O)N 7a_100000210238_100009817443 [0,2,0,0,0,0|1,0,0]=3 9732 B15R0.164 CCCCOCCOCCCCCC(=O)[O-] 7a_100102619762_100000743108 [0,2,0,0,0,0|1,0,0]=3 9733 B15R0.164 CCCCOCCOCCCCOC(=O)C 34a_100000073216_100000743108 [0,2,0,0,0,0|2,0,0]=4 9734 B15R0.164 CCCCOCCOCCCCOC(=O)C 34a_100000210238_100000033659 [0,2,0,0,0,0|2,0,0]=4 9735 B15R0.164 CCCCOCCOCCCCOC(=O)C 7a_100000073216_100000743108 [0,2,0,0,0,0|2,0,0]=4 9736 B15R0.164 CCCCOCCOCCCCOC(=O)C 7a_100000210238_100000033659 [0,2,0,0,0,0|2,0,0]=4 9737 B15R0.164 CCCCOCCOCCCCSC(=O)C 34a_100000210238_200010402107 [0,2,0,0,0,0|2,0,0]=4 9738 B15R0.164 CCCCOCCOCCCCSC(=O)C 7a_100000210238_200010402107 [0,2,0,0,0,0|2,0,0]=4 9739 B15R0.164 CCCCOCCOCCOCCC(=O)C 7a_100011215186_100000053229 [0,2,0,0,0,0|2,0,0]=4 9740 B15R0.164 CCCCOCCOCCOCCC(=O)N 34a_100011215186_100000731001 [0,2,0,0,0,0|2,0,0]=4 9741 B15R0.164 CCCCOCCOCCOCCC(=O)N 7a_100011215186_100000744528 [0,2,0,0,0,0|2,0,0]=4 9742 B15R0.164 CCCCOCCSCCCCCC(=O)N 62a_100000743108_100009817443 [0,2,0,0,0,0|1,0,0]=3 9743 B15R0.164 CCCCOCCSCCCCCC(=O)N 62a_100009817443_100000743108 [0,2,0,0,0,0|1,0,0]=3 9744 B15R0.164 CCCCOCCSCCCCOC(=O)C 62a_100000033659_100000743108 [0,2,0,0,0,0|2,0,0]=4 9745 B15R0.164 CCCCOCCSCCCCOC(=O)C 62a_100000743108_100000033659 [0,2,0,0,0,0|2,0,0]=4 9746 B15R0.164 CCCCOCCSCCCCSC(=O)C 62a_100000743108_200010402107 [0,2,0,0,0,0|2,0,0]=4 9747 B15R0.164 CCCCOCCSCCCCSC(=O)C 62a_200010402107_100000743108 [0,2,0,0,0,0|2,0,0]=4 9748 B15R0.164 CCCCOCNCCCCCNC(=O)C 2230a_200012022750_100011995733 [0,2,0,0,0,0|2,0,0]=4 9749 B15R0.164 CCCCOCNCCCCCNC(=O)C 34a_200012022750_100011995733 [0,2,0,0,0,0|2,0,0]=4 9750 B15R0.164 CCCCOCSCCCCCOC(=O)C 62a_100000033007_100011995733 [0,2,0,0,0,0|2,0,0]=4 9751 B15R0.164 CCCCOCSCCCCCOC(=O)C 62a_100011995733_100000033007 [0,2,0,0,0,0|2,0,0]=4 9752 B15R0.164 CCCCSCCNCCCCCC(=O)N 2230a_100025743550_100009817443 [0,2,0,0,0,0|1,0,0]=3 9753 B15R0.164 CCCCSCCNCCCCSC(=O)C 2230a_100025743550_200010402107 [0,2,0,0,0,0|2,0,0]=4 9754 B15R0.164 CCCCSCCOCCCCCC(=O)N 34a_200000230436_100009817443 [0,2,0,0,0,0|1,0,0]=3 9755 B15R0.164 CCCCSCCOCCCCCC(=O)N 7a_200000230436_100009817443 [0,2,0,0,0,0|1,0,0]=3 9756 B15R0.164 CCCCSCCOCCCCOC(=O)C 34a_200000230436_100000033659 [0,2,0,0,0,0|2,0,0]=4 9757 B15R0.164 CCCCSCCOCCCCOC(=O)C 7a_200000230436_100000033659 [0,2,0,0,0,0|2,0,0]=4 9758 B15R0.164 CCCCSCCOCCCCSC(=O)C 34a_200000230436_200010402107 [0,2,0,0,0,0|2,0,0]=4 9759 B15R0.164 CCCCSCCOCCCCSC(=O)C 7a_200000230436_200010402107 [0,2,0,0,0,0|2,0,0]=4 9760 B15R0.164 CCCOCCCNCCCCCC(=O)N 2230a_100011217757_100009817443 [0,2,0,0,0,0|1,0,0]=3 9761 B15R0.164 CCCOCCCNCCCCCC(=O)N 34a_100011217757_100009817443 [0,2,0,0,0,0|1,0,0]=3 9762 B15R0.164 CCCOCCCNCCCCOC(=O)C 34a_100011217757_100000033659 [0,2,0,0,0,0|2,0,0]=4 9763 B15R0.164 CCCOCCCNCCCCSC(=O)C 2230a_100011217757_200010402107 [0,2,0,0,0,0|2,0,0]=4 9764 B15R0.164 CCCOCCCNCCCCSC(=O)C 34a_100011217757_200010402107 [0,2,0,0,0,0|2,0,0]=4 9765 B15R0.164 CCCOCCNCCCCCNC(=O)C 2230a_200012022750_100011215938 [0,2,0,0,0,0|2,0,0]=4 9766 B15R0.164 CCCOCCNCCCCCNC(=O)C 34a_200012022750_100011215938 [0,2,0,0,0,0|2,0,0]=4 9767 B15R0.164 CCCOCCNCCCCCOC(=O)C 2230a_100161115042_100009813381 [0,2,0,0,0,0|2,0,0]=4 9768 B15R0.164 CCCOCCNCCCCCOC(=O)C 34a_100161115042_100000033007 [0,2,0,0,0,0|2,0,0]=4 9769 B15R0.164 CCCOCCOCCCCCOC(=O)C 34a_100000752267_100000033007 [0,2,0,0,0,0|2,0,0]=4 9770 B15R0.164 CCCOCCOCCCCCOC(=O)C 7a_100000752267_100000033007 [0,2,0,0,0,0|2,0,0]=4 9771 B15R0.164 CCCOCCOCCNCCCC(=O)C 34a_200011904461_100000685027 [0,2,0,0,0,0|2,0,0]=4 9772 B15R0.164 CCCOCCOCCNCCCC(=O)N 34a_200011904461_100102525003 [0,2,0,0,0,0|2,0,0]=4 9773 B15R0.164 CCCOCCSCCCCCOC(=O)C 62a_100000033007_100011215938 [0,2,0,0,0,0|2,0,0]=4 9774 B15R0.164 CCCOCCSCCCCCOC(=O)C 62a_100011215938_100000033007 [0,2,0,0,0,0|2,0,0]=4 9775 B15R0.164 CCCSCCNCCCCCOC(=O)C 2230a_100020603323_100009813381 [0,2,0,0,0,0|2,0,0]=4 9776 B15R0.164 CCCSCCOCCCCCOC(=O)C 34a_200000230433_100000033007 [0,2,0,0,0,0|2,0,0]=4 9777 B15R0.164 CCCSCCOCCCCCOC(=O)C 7a_200000230433_100000033007 [0,2,0,0,0,0|2,0,0]=4 9778 B15R0.164 CCNCCCCCCCCCCC(=O)N 2230a_100015525214_200010167045 [0,2,0,0,0,0|1,0,0]=3 9779 B15R0.164 CCOCCCCCCCCCCC(=O)N 34a_100121572206_200010167045 [0,2,0,0,0,0|1,0,0]=3 9780 B15R0.164 CCOCCCNCCCCCNC(=O)C 2230a_200012022750_100012232248 [0,2,0,0,0,0|2,0,0]=4 9781 B15R0.164 CCOCCCNCCCCCNC(=O)C 34a_200012022750_100012232248 [0,2,0,0,0,0|2,0,0]=4 9782 B15R0.164 CCOCCCNCCCCCOC(=O)C 2230a_100000210961_100009813381 [0,2,0,0,0,0|2,0,0]=4 9783 B15R0.164 CCOCCCNCCCCCOC(=O)C 34a_100000210961_100000033007 [0,2,0,0,0,0|2,0,0]=4 9784 B15R0.164 CCOCCCOCCCCCOC(=O)C 34a_100000757476_100000033007 [0,2,0,0,0,0|2,0,0]=4 9785 B15R0.164 CCOCCCOCCCCCOC(=O)C 7a_100000757476_100000033007 [0,2,0,0,0,0|2,0,0]=4 9786 B15R0.164 CCOCCCSCCCCCOC(=O)C 62a_100000033007_100012232248 [0,2,0,0,0,0|2,0,0]=4 9787 B15R0.164 CCOCCCSCCCCCOC(=O)C 62a_100012232248_100000033007 [0,2,0,0,0,0|2,0,0]=4 9788 B15R0.164 CCOCCNCCCCCCNC(=O)C 2230a_200011996284_100011215890 [0,2,0,0,0,0|2,0,0]=4 9789 B15R0.164 CCOCCNCCCCCCNC(=O)C 34a_200011996284_100000210147 [0,2,0,0,0,0|2,0,0]=4 9790 B15R0.164 CCOCCOCCNCCCCC(=O)C 34a_100102712874_100009817362 [0,2,0,0,0,0|2,0,0]=4 9791 B15R0.164 CCOCCOCCNCCCCC(=O)N 34a_100000696515_100011211534 [0,2,0,0,0,0|2,0,0]=4 9792 B15R0.164 CCOCCOCCOCCCCC(=O)C 34a_100000210240_100009817362 [0,2,0,0,0,0|2,0,0]=4 9793 B15R0.164 CCOCCOCCOCCCCC(=O)C 7a_100000210240_100000735457 [0,2,0,0,0,0|2,0,0]=4 9794 B15R0.164 CCOCCOCCOCCCCC(=O)N 34a_100012022536_100011211534 [0,2,0,0,0,0|2,0,0]=4 9795 B15R0.164 CCOCCOCCOCCCCC(=O)N 7a_100012022536_100011211534 [0,2,0,0,0,0|2,0,0]=4 9796 B15R0.164 CCOCCOCCSCCCCC(=O)C 62a_100000735457_100011211534 [0,2,0,0,0,0|2,0,0]=4 9797 B15R0.164 CCOCCOCCSCCCCC(=O)C 62a_100011211534_100000735457 [0,2,0,0,0,0|2,0,0]=4 9798 B15R0.164 CCSCCCCCCCCCCC(=O)N 62a_100000210202_200010167045 [0,2,0,0,0,0|1,0,0]=3 9799 B15R0.164 CCSCCCCCCCCCCC(=O)N 62a_200010167045_100000210202 [0,2,0,0,0,0|1,0,0]=3 9800 B15R0.164 CCSCCCOCCCCCOC(=O)C 34a_100011216438_100000033007 [0,2,0,0,0,0|2,0,0]=4 9801 B15R0.164 CCSCCCOCCCCCOC(=O)C 7a_100011216438_100000033007 [0,2,0,0,0,0|2,0,0]=4 9802 B15R0.164 CCSCCNCCCCCCNC(=O)C 2230a_200011996284_100000757381 [0,2,0,0,0,0|2,0,0]=4 9803 B15R0.164 CCSCCNCCCCCCNC(=O)C 34a_200011996284_100000757381 [0,2,0,0,0,0|2,0,0]=4 9804 B15R0.164 CNCCCCCOCCCCCC(=O)N 34a_100000722520_100009817443 [0,2,0,0,0,0|1,0,0]=3 9805 B15R0.164 CNCCCCCOCCCCOC(=O)C 34a_100000722520_100000033659 [0,2,0,0,0,0|2,0,0]=4 9806 B15R0.164 CNCCCCCOCCCCSC(=O)C 34a_100000722520_200010402107 [0,2,0,0,0,0|2,0,0]=4 9807 B15R0.164 CNCCOCCOCCCCCC(=O)N 34a_100000228057_100009817443 [0,2,0,0,0,0|2,0,0]=4 9808 B15R0.164 COCCCCCCNCCCCC(=O)N 34a_100000696515_100011998445 [0,2,0,0,0,0|1,0,0]=3 9809 B15R0.164 COCCCCCCNCCCNC(=O)C 34a_100000736810_100011998445 [0,2,0,0,0,0|2,0,0]=4 9810 B15R0.164 COCCCCCCNCCOCC(=O)O 269956a_100000700818_100011998445 [0,2,0,0,0,0|2,0,0]=4 9811 B15R0.164 COCCCCCCOCCCCC(=O)C 34a_200012092642_100009817362 [0,2,0,0,0,0|1,0,0]=3 9812 B15R0.164 COCCCCCCOCCCCC(=O)C 7a_200012092642_100000735457 [0,2,0,0,0,0|1,0,0]=3 9813 B15R0.164 COCCCCCCOCCCCC(=O)N 34a_100012022536_100011998445 [0,2,0,0,0,0|1,0,0]=3 9814 B15R0.164 COCCCCCCOCCCCC(=O)N 7a_100012022536_100011998445 [0,2,0,0,0,0|1,0,0]=3 9815 B15R0.164 COCCCCCCOCCCC[N+](=O)[O-] 34a_200015379883_100011998445 [0,2,0,0,0,0|2,0,0]=4 9816 B15R0.164 COCCCCCCOCCCC[N+](=O)[O-] 7a_200015379883_100011998445 [0,2,0,0,0,0|2,0,0]=4 9817 B15R0.164 COCCCCCCOCCCNC(=O)C 34a_100000752032_100011998445 [0,2,0,0,0,0|2,0,0]=4 9818 B15R0.164 COCCCCCCOCCCOC(=O)C 34a_200012092642_100000042594 [0,2,0,0,0,0|2,0,0]=4 9819 B15R0.164 COCCCCCCOCCCOC(=O)C 7a_200012092642_100000042594 [0,2,0,0,0,0|2,0,0]=4 9820 B15R0.164 COCCCCCCOCCCSC(=O)C 34a_200012092642_100000038929 [0,2,0,0,0,0|2,0,0]=4 9821 B15R0.164 COCCCCCCOCCCSC(=O)C 7a_200012092642_100000038929 [0,2,0,0,0,0|2,0,0]=4 9822 B15R0.164 COCCCCCCOCCOCC(=O)N 34a_200012092642_100000076697 [0,2,0,0,0,0|2,0,0]=4 9823 B15R0.164 COCCCCCCOCCOCC(=O)N 7a_200012092642_100000076697 [0,2,0,0,0,0|2,0,0]=4 9824 B15R0.164 COCCCCCCSCCCCC(=O)C 62a_100000735457_100011998445 [0,2,0,0,0,0|1,0,0]=3 9825 B15R0.164 COCCCCCCSCCCCC(=O)C 62a_100011998445_100000735457 [0,2,0,0,0,0|1,0,0]=3 9826 B15R0.164 COCCCCCCSCCCOC(=O)C 62a_100000042594_100011998445 [0,2,0,0,0,0|2,0,0]=4 9827 B15R0.164 COCCCCCCSCCCOC(=O)C 62a_100011998445_100000042594 [0,2,0,0,0,0|2,0,0]=4 9828 B15R0.164 COCCCCCCSCCCSC(=O)C 62a_100000038929_100011998445 [0,2,0,0,0,0|2,0,0]=4 9829 B15R0.164 COCCCCCCSCCCSC(=O)C 62a_100011998445_100000038929 [0,2,0,0,0,0|2,0,0]=4 9830 B15R0.164 COCCCCCCSCCOCC(=O)N 62a_100000076697_100011998445 [0,2,0,0,0,0|2,0,0]=4 9831 B15R0.164 COCCCCCCSCCOCC(=O)N 62a_100011998445_100000076697 [0,2,0,0,0,0|2,0,0]=4 9832 B15R0.164 COCCCCCNCCCCCC(=O)N 2230a_100000747528_100009817443 [0,2,0,0,0,0|1,0,0]=3 9833 B15R0.164 COCCCCCNCCCCCC(=O)N 34a_100000747528_100009817443 [0,2,0,0,0,0|1,0,0]=3 9834 B15R0.164 COCCCCCNCCCCOC(=O)C 34a_100000747528_100000033659 [0,2,0,0,0,0|2,0,0]=4 9835 B15R0.164 COCCCCCNCCCCSC(=O)C 2230a_100000747528_200010402107 [0,2,0,0,0,0|2,0,0]=4 9836 B15R0.164 COCCCCCNCCCCSC(=O)C 34a_100000747528_200010402107 [0,2,0,0,0,0|2,0,0]=4 9837 B15R0.164 COCCCCNCCCCCNC(=O)C 2230a_200012022750_100000730899 [0,2,0,0,0,0|2,0,0]=4 9838 B15R0.164 COCCCCNCCCCCNC(=O)C 34a_200012022750_100000755781 [0,2,0,0,0,0|2,0,0]=4 9839 B15R0.164 COCCCCOCCCCCOC(=O)C 34a_100000740925_100000033007 [0,2,0,0,0,0|2,0,0]=4 9840 B15R0.164 COCCCCSCCCCCOC(=O)C 62a_100000033007_100000730899 [0,2,0,0,0,0|2,0,0]=4 9841 B15R0.164 COCCCCSCCCCCOC(=O)C 62a_100000730899_100000033007 [0,2,0,0,0,0|2,0,0]=4 9842 B15R0.164 COCCCNCCCCCCNC(=O)C 2230a_200011996284_100000740836 [0,2,0,0,0,0|2,0,0]=4 9843 B15R0.164 COCCCNCCCCCCNC(=O)C 34a_200011996284_100000740836 [0,2,0,0,0,0|2,0,0]=4 9844 B15R0.164 COCCCOCCCOCCCC(=O)C 34a_200011215475_100000685027 [0,2,0,0,0,0|2,0,0]=4 9845 B15R0.164 COCCCOCCCOCCCC(=O)C 7a_200011215475_100011215641 [0,2,0,0,0,0|2,0,0]=4 9846 B15R0.164 COCCCOCCCOCCCC(=O)N 34a_200011215475_100102525003 [0,2,0,0,0,0|2,0,0]=4 9847 B15R0.164 COCCCOCCCOCCCC(=O)N 7a_200011215475_100102525003 [0,2,0,0,0,0|2,0,0]=4 9848 B15R0.164 COCCOCCCNCCCCC(=O)C 34a_100000206027_100009817362 [0,2,0,0,0,0|2,0,0]=4 9849 B15R0.164 COCCOCCCNCCCCC(=O)N 34a_100000696515_100011216529 [0,2,0,0,0,0|2,0,0]=4 9850 B15R0.164 COCCOCCCOCCCCC(=O)N 34a_100012022536_100011216529 [0,2,0,0,0,0|2,0,0]=4 9851 B15R0.164 COCCOCCCOCCCCC(=O)N 7a_100012022536_100011216529 [0,2,0,0,0,0|2,0,0]=4 9852 B15R0.164 COCCOCCCSCCCCC(=O)C 62a_100000735457_100011216529 [0,2,0,0,0,0|2,0,0]=4 9853 B15R0.164 COCCOCCCSCCCCC(=O)C 62a_100011216529_100000735457 [0,2,0,0,0,0|2,0,0]=4 9854 B15R0.164 COCCOCCNCCCCCC(=O)N 2230a_100000745349_100009817443 [0,2,0,0,0,0|2,0,0]=4 9855 B15R0.164 COCCOCCNCCCCCC(=O)N 34a_100000745349_100009817443 [0,2,0,0,0,0|2,0,0]=4 9856 B15R0.164 COCCOCCOCCCCCC(=O)N 34a_100000123541_100000695917 [0,2,0,0,0,0|2,0,0]=4 9857 B15R0.164 COCCOCCOCCCCCC(=O)N 34a_100011215163_100009817443 [0,2,0,0,0,0|2,0,0]=4 9858 B15R0.164 COCCOCCOCCCCCC(=O)N 7a_100000123541_100000695917 [0,2,0,0,0,0|2,0,0]=4 9859 B15R0.164 COCCOCCOCCCCCC(=O)N 7a_100011215163_100009817443 [0,2,0,0,0,0|2,0,0]=4 9860 B15R0.164 COCCOCCOCCCCCC(=O)[O-] 7a_100102619762_100000695917 [0,2,0,0,0,0|2,0,0]=4 9861 B15R0.164 COCCOCCSCCCCCC(=O)N 62a_100000695917_100009817443 [0,2,0,0,0,0|2,0,0]=4 9862 B15R0.164 COCCOCCSCCCCCC(=O)N 62a_100009817443_100000695917 [0,2,0,0,0,0|2,0,0]=4 9863 B15R0.164 CS(=O)CCCNCCCCCCCCO 2230a_200000753449_100000033203 [0,2,0,0,0,0|2,0,0]=4 9864 B15R0.164 CSCCCCOCCCCCOC(=O)C 34a_100011217163_100000033007 [0,2,0,0,0,0|2,0,0]=4 9865 B15R0.164 CSCCCCOCCCCCOC(=O)C 7a_100011217163_100000033007 [0,2,0,0,0,0|2,0,0]=4 9866 B15R0.164 C[C@@H](Cl)COCCCCCCCCCCO 34a_100016084084_100009813290 [0,2,0,0,0,0|1,0,1]=4 9867 B15R0.164 N#CCCCCCCOCCCCC(=O)N 7a_100012022536_100009813337 [0,2,0,0,0,0|1,0,1]=4 9868 B15R0.164 N#CCCCCCOCCCCCC(=O)N 7a_100000123541_100009813376 [0,2,0,0,0,0|1,0,1]=4 9869 B15R0.164 N#CCCCCCOCCCCCC(=O)[O-] 7a_100102619762_100009813376 [0,2,0,0,0,0|1,0,1]=4 9870 B15R0.164 N#CCCCCCSCCCCCC(=O)N 62a_100009813376_100009817443 [0,2,0,0,0,0|1,0,1]=4 9871 B15R0.164 N#CCCCCCSCCCCCC(=O)N 62a_100009817443_100009813376 [0,2,0,0,0,0|1,0,1]=4 9872 B15R0.164 NC(=O)CCCCCCCCCCSCF 62a_100015361967_200010167045 [0,2,0,0,0,0|1,0,0]=3 9873 B15R0.164 NC(=O)CCCCCCCCCCSCF 62a_200010167045_100015361967 [0,2,0,0,0,0|1,0,0]=3 9874 B15R0.164 NC(=O)CCCCCNCCCCCCO 2230a_100000686447_100009817443 [0,2,0,0,0,0|1,0,0]=3 9875 B15R0.164 NC(=O)CCCCCNCCCCCCO 34a_100000686447_100009817443 [0,2,0,0,0,0|1,0,0]=3 9876 B15R0.164 NC(=O)CCCCCOCCCCCC=O 7a_100000123541_100000139337 [0,2,0,0,0,0|1,0,1]=4 9877 B15R0.164 NC(=O)CCCCCOCCCCCCBr 34a_100011215345_100009817443 [0,2,0,0,0,0|1,0,0]=3 9878 B15R0.164 NC(=O)CCCCCOCCCCCCBr 7a_100011215345_100009817443 [0,2,0,0,0,0|1,0,0]=3 9879 B15R0.164 NC(=O)CCCCCOCCCCCCCl 34a_100000766143_100009817443 [0,2,0,0,0,0|1,0,0]=3 9880 B15R0.164 NC(=O)CCCCCOCCCCCCCl 7a_100000766143_100009817443 [0,2,0,0,0,0|1,0,0]=3 9881 B15R0.164 NC(=O)CCCCCOCCCCCCF 34a_100000123541_100015922095 [0,2,0,0,0,0|1,0,0]=3 9882 B15R0.164 NC(=O)CCCCCOCCCCCCF 34a_100000732779_100009817443 [0,2,0,0,0,0|1,0,0]=3 9883 B15R0.164 NC(=O)CCCCCOCCCCCCF 7a_100000123541_100015922095 [0,2,0,0,0,0|1,0,0]=3 9884 B15R0.164 NC(=O)CCCCCOCCCCCCF 7a_100000732779_100009817443 [0,2,0,0,0,0|1,0,0]=3 9885 B15R0.164 NC(=O)CCCCCOCCCCCCO 34a_100000123541_100000766143 [0,2,0,0,0,0|1,0,0]=3 9886 B15R0.164 NC(=O)CCCCCOCCCCCCO 7a_100000123541_100000766143 [0,2,0,0,0,0|1,0,0]=3 9887 B15R0.164 NC(=O)CCCCCSCCCCCC=O 62a_100000139337_100009817443 [0,2,0,0,0,0|1,0,1]=4 9888 B15R0.164 NC(=O)CCCCCSCCCCCC=O 62a_100009817443_100000139337 [0,2,0,0,0,0|1,0,1]=4 9889 B15R0.164 NC(=O)CCCCCSCCCCCCF 62a_100009817443_100015922095 [0,2,0,0,0,0|1,0,0]=3 9890 B15R0.164 NC(=O)CCCCCSCCCCCCF 62a_100015922095_100009817443 [0,2,0,0,0,0|1,0,0]=3 9891 B15R0.164 NC(=O)CCCCCSCCCCCCO 62a_100000766143_100009817443 [0,2,0,0,0,0|1,0,0]=3 9892 B15R0.164 NC(=O)CCCCCSCCCCCCO 62a_100009817443_100000766143 [0,2,0,0,0,0|1,0,0]=3 9893 B15R0.164 NC(=O)CCCCNCCCCCCCO 34a_100000696515_100000760002 [0,2,0,0,0,0|1,0,0]=3 9894 B15R0.164 NC(=O)CCCCOCCCCCCCO 34a_100012022536_100000760002 [0,2,0,0,0,0|1,0,0]=3 9895 B15R0.164 NC(=O)CCCCOCCCCCCCO 7a_100012022536_100000760002 [0,2,0,0,0,0|1,0,0]=3 9896 B15R0.164 NC(=O)CCCNCCCCCCCCO 34a_100000739312_100000033203 [0,2,0,0,0,0|1,0,0]=3 9897 B15R0.164 NC(=O)CCCNCCCCCCCCO 34a_102515433106_100102525003 [0,2,0,0,0,0|1,0,0]=3 9898 B15R0.164 NC(=O)CCCOCCCCCCCCBr 34a_100009813846_100102525003 [0,2,0,0,0,0|1,0,0]=3 9899 B15R0.164 NC(=O)CCCOCCCCCCCCBr 7a_100009813846_100102525003 [0,2,0,0,0,0|1,0,0]=3 9900 B15R0.164 NC(=O)CCCOCCCCCCCCCl 34a_100000033203_100102525003 [0,2,0,0,0,0|1,0,0]=3 9901 B15R0.164 NC(=O)CCCOCCCCCCCCCl 7a_100000033203_100102525003 [0,2,0,0,0,0|1,0,0]=3 9902 B15R0.164 NC(=O)CCCSCCCCCCCCO 62a_100000033203_100102525003 [0,2,0,0,0,0|1,0,0]=3 9903 B15R0.164 NC(=O)CCCSCCCCCCCCO 62a_100102525003_100000033203 [0,2,0,0,0,0|1,0,0]=3 9904 B15R0.164 NC(=O)CCNCCCCCCCCCO 2230a_100000078944_100000744528 [0,2,0,0,0,0|1,0,0]=3 9905 B15R0.164 NC(=O)CCNCCCCCCCCCO 34a_100000078944_100000731001 [0,2,0,0,0,0|1,0,0]=3 9906 B15R0.164 NC(=O)CCOCCCCCCCCCBr 34a_100009813782_100000731001 [0,2,0,0,0,0|1,0,0]=3 9907 B15R0.164 NC(=O)CCOCCCCCCCCCBr 7a_100009813782_100000744528 [0,2,0,0,0,0|1,0,0]=3 9908 B15R0.164 NC(=O)CCOCCCCCCCCCCl 34a_100009868337_100000731001 [0,2,0,0,0,0|1,0,0]=3 9909 B15R0.164 NC(=O)CCOCCCCCCCCCCl 7a_100009868337_100000744528 [0,2,0,0,0,0|1,0,0]=3 9910 B15R0.164 NC(=O)CCOCCCCCCCCCO 34a_100000757172_100009813782 [0,2,0,0,0,0|1,0,0]=3 9911 B15R0.164 NC(=O)CCOCCCCCCCCCO 7a_100000757172_100009813782 [0,2,0,0,0,0|1,0,0]=3 9912 B15R0.164 NC(=O)CCSCCCCCCCCCO 62a_100000744528_100009813782 [0,2,0,0,0,0|1,0,0]=3 9913 B15R0.164 NC(=O)CCSCCCCCCCCCO 62a_100009813782_100000744528 [0,2,0,0,0,0|1,0,0]=3 9914 B15R0.164 NC(=O)CNCCCCCCCCCCO 2230a_100000066964_100000747473 [0,2,0,0,0,0|1,0,0]=3 9915 B15R0.164 NC(=O)CNCCCCCCCCCCO 2230a_100000711301_100009813290 [0,2,0,0,0,0|1,0,0]=3 9916 B15R0.164 NC(=O)CNCCCCCCCCCCO 34a_100000066964_100000187820 [0,2,0,0,0,0|1,0,0]=3 9917 B15R0.164 NC(=O)COCCCCCCCCCCBr 34a_100009813290_100000187820 [0,2,0,0,0,0|1,0,0]=3 9918 B15R0.164 NC(=O)COCCCCCCCCCCBr 7a_100009813290_100000187820 [0,2,0,0,0,0|1,0,0]=3 9919 B15R0.164 NC(=O)COCCCCCCCCCCCl 34a_200000033068_100000187820 [0,2,0,0,0,0|1,0,0]=3 9920 B15R0.164 NC(=O)COCCCCCCCCCCCl 7a_200000033068_100000187820 [0,2,0,0,0,0|1,0,0]=3 9921 B15R0.164 NC(=O)COCCNCCCCCCCO 2230a_100011996573_100000076697 [0,2,0,0,0,0|2,0,0]=4 9922 B15R0.164 NC(=O)COCCNCCCCCCCO 34a_100011996573_100000076697 [0,2,0,0,0,0|2,0,0]=4 9923 B15R0.164 NC(=O)COCCOCCCCCCCBr 34a_100000760002_100000076697 [0,2,0,0,0,0|2,0,0]=4 9924 B15R0.164 NC(=O)COCCOCCCCCCCBr 7a_100000760002_100000076697 [0,2,0,0,0,0|2,0,0]=4 9925 B15R0.164 NC(=O)COCCSCCCCCCCO 62a_100000076697_100000760002 [0,2,0,0,0,0|2,0,0]=4 9926 B15R0.164 NC(=O)COCCSCCCCCCCO 62a_100000760002_100000076697 [0,2,0,0,0,0|2,0,0]=4 9927 B15R0.164 NC(=O)CSCCCCCCCCCCO 62a_100000747473_200000033068 [0,2,0,0,0,0|1,0,0]=3 9928 B15R0.164 NC(=O)CSCCCCCCCCCCO 62a_100009813290_100000747473 [0,2,0,0,0,0|1,0,0]=3 9929 B15R0.164 NC(=O)NCCNCCCCCCCCO 2230a_102515433106_200000034859 [0,2,0,0,0,0|2,0,0]=4 9930 B15R0.164 NC(=O)NCCNCCCCCCCCO 34a_100020590234_100000033203 [0,2,0,0,0,0|2,0,0]=4 9931 B15R0.164 NC(=O)NCCOCCCCCCCCBr 7a_100009813846_200000034859 [0,2,0,0,0,0|2,0,0]=4 9932 B15R0.164 NC(=O)NCCOCCCCCCCCCl 7a_100000033203_200000034859 [0,2,0,0,0,0|2,0,0]=4 9933 B15R0.164 NC(=O)NCCOCCCCCCCCO 34a_100000181757_100000033203 [0,2,0,0,0,0|2,0,0]=4 9934 B15R0.164 NC(=O)NCCSCCCCCCCCO 62a_100000033203_200000034859 [0,2,0,0,0,0|2,0,0]=4 9935 B15R0.164 NC(=O)NCCSCCCCCCCCO 62a_200000034859_100000033203 [0,2,0,0,0,0|2,0,0]=4 9936 B15R0.164 NC(=O)OCCNCCCCCCCCO 34a_102515433106_200011214921 [0,2,0,0,0,0|2,0,0]=4 9937 B15R0.164 NC(=O)OCCOCCCCCCCCBr 34a_100009813846_200011214921 [0,2,0,0,0,0|2,0,0]=4 9938 B15R0.164 NC(=O)OCCOCCCCCCCCBr 7a_100009813846_200011214921 [0,2,0,0,0,0|2,0,0]=4 9939 B15R0.164 NC(=O)OCCOCCCCCCCCCl 34a_100000033203_200011214921 [0,2,0,0,0,0|2,0,0]=4 9940 B15R0.164 NC(=O)OCCOCCCCCCCCCl 7a_100000033203_200011214921 [0,2,0,0,0,0|2,0,0]=4 9941 B15R0.164 NC(=O)OCCOCCCCCCCCO 7a_100000766696_100000033203 [0,2,0,0,0,0|2,0,0]=4 9942 B15R0.164 NC(=O)OCCSCCCCCCCCO 62a_100000033203_200011214921 [0,2,0,0,0,0|2,0,0]=4 9943 B15R0.164 NC(=O)OCCSCCCCCCCCO 62a_200011214921_100000033203 [0,2,0,0,0,0|2,0,0]=4 9944 B15R0.164 NCCCCCCCCCCOCC(=O)N 34a_100000066964_100000187820 [0,2,0,0,0,0|1,0,0]=3 9945 B15R0.164 NCCCCCCCCCCOCC(=O)[O-] 34a_100000066964_100020667443 [0,2,0,0,0,0|1,0,0]=3 9946 B15R0.164 NCCCCCCCCCCOC[N+](=O)[O-] 34a_100000066964_100000761209 [0,2,0,0,0,0|2,0,0]=4 9947 B15R0.164 NCCCCCCCCCOCCC(=O)N 34a_100000078944_100000731001 [0,2,0,0,0,0|1,0,0]=3 9948 B15R0.164 NCCCCCCCCOCCCC(=O)N 34a_102515433106_100102525003 [0,2,0,0,0,0|1,0,0]=3 9949 B15R0.164 NCCCCCCCCOCCOC(=O)N 34a_102515433106_200011214921 [0,2,0,0,0,0|2,0,0]=4 9950 B15R0.164 NCCCCCCCOCCOCC(=O)N 34a_100011996573_100000076697 [0,2,0,0,0,0|2,0,0]=4 9951 B15R0.164 NCCCCCCOCCCCCC(=O)N 34a_100000686447_100009817443 [0,2,0,0,0,0|1,0,0]=3 9952 B15R0.164 NCCNCCCCCOCCCC(=O)N 34a_103619048469_100102525003 [0,2,0,0,0,0|2,0,0]=4 9953 B15R0.164 O=C(O)CNCCCCCCCCCCO 269956a_100016091260_100009813290 [0,2,0,0,0,0|1,0,0]=3 9954 B15R0.164 O=C(O)COCCNCCCCCCCO 269956a_100000700818_100000760002 [0,2,0,0,0,0|2,0,0]=4 9955 B15R0.164 O=C(O)CONCCCCCCCCCO 269956a_100000106656_100009813782 [0,2,0,0,0,0|2,0,0]=4 9956 B15R0.164 O=C([O-])CCCCCOCCCCCCF 7a_100102619762_100015922095 [0,2,0,0,0,0|1,0,0]=3 9957 B15R0.164 O=C([O-])CCCCCOCCCCCCO 7a_100102619762_100000766143 [0,2,0,0,0,0|1,0,0]=3 9958 B15R0.164 O=C([O-])CNCCCCCCCCCCO 34a_100000066964_100020667443 [0,2,0,0,0,0|1,0,0]=3 9959 B15R0.164 O=C([O-])COCCCCCCCCCCBr 34a_100009813290_100020667443 [0,2,0,0,0,0|1,0,0]=3 9960 B15R0.164 O=C([O-])COCCCCCCCCCCCl 34a_200000033068_100020667443 [0,2,0,0,0,0|1,0,0]=3 9961 B15R0.164 O=C([O-])CSCCCCCCCCCCO 62a_100009813290_100020667443 [0,2,0,0,0,0|1,0,0]=3 9962 B15R0.164 O=C([O-])CSCCCCCCCCCCO 62a_100020667443_200000033068 [0,2,0,0,0,0|1,0,0]=3 9963 B15R0.164 O=CCCCCCOCCCCCC(=O)[O-] 7a_100102619762_100000139337 [0,2,0,0,0,0|1,0,1]=4 9964 B15R0.164 O=[N+]([O-])CCCCOCCCCCCCO 34a_200015379883_100000760002 [0,2,0,0,0,0|2,0,0]=4 9965 B15R0.164 O=[N+]([O-])CCCCOCCCCCCCO 7a_200015379883_100000760002 [0,2,0,0,0,0|2,0,0]=4 9966 B15R0.164 O=[N+]([O-])CCCOCCCCCCCCO 34a_200000037920_100000033203 [0,2,0,0,0,0|2,0,0]=4 9967 B15R0.164 O=[N+]([O-])CNCCCCCCCCCCO 34a_100000066964_100000761209 [0,2,0,0,0,0|2,0,0]=4 9968 B15R0.164 O=[N+]([O-])COCCCCCCCCCCBr 34a_100009813290_100000761209 [0,2,0,0,0,0|2,0,0]=4 9969 B15R0.164 O=[N+]([O-])COCCCCCCCCCCCl 34a_200000033068_100000761209 [0,2,0,0,0,0|2,0,0]=4 9970 B15R0.164 O=[N+]([O-])CSCCCCCCCCCCO 62a_100009813290_100000761209 [0,2,0,0,0,0|2,0,0]=4 9971 B15R0.210 C=C(C)CCOCCCCC(C)CCCC 34a_200011021034_100000730704 [0,2,0,0,0,0|2,0,0]=4 9972 B15R0.210 C=C(C)CCOCCCCC(C)CCCC 7a_200011021034_100000730704 [0,2,0,0,0,0|2,0,0]=4 9973 B15R0.210 CCCCC(C)CCCCOCCC(=O)C 7a_200011021034_100000053229 [0,2,0,0,0,0|1,0,0]=3 9974 B15R0.210 CCCCC(C)CCCCOCCC(=O)N 34a_200011021034_100000731001 [0,2,0,0,0,0|1,0,0]=3 9975 B15R0.210 CCCCC(C)CCCCOCCC(=O)N 7a_200011021034_100000744528 [0,2,0,0,0,0|1,0,0]=3 9976 B15R0.210 CCCCC(C)CCCCOCOC(=O)C 34a_200011021034_100009813279 [0,2,0,0,0,0|2,0,0]=4 9977 B15R0.210 CCCCC(C)COCCCCCC(=O)N 34a_100011995851_100009817443 [0,2,0,0,0,0|1,0,0]=3 9978 B15R0.210 CCCCC(C)COCCCCCC(=O)N 7a_100011995851_100009817443 [0,2,0,0,0,0|1,0,0]=3 9979 B15R0.210 CCCCC(C)COCCCCOC(=O)C 34a_100011995851_100000033659 [0,2,0,0,0,0|2,0,0]=4 9980 B15R0.210 CCCCC(C)COCCCCOC(=O)C 7a_100011995851_100000033659 [0,2,0,0,0,0|2,0,0]=4 9981 B15R0.210 CCCCC(C)COCCCCSC(=O)C 34a_100011995851_200010402107 [0,2,0,0,0,0|2,0,0]=4 9982 B15R0.210 CCCCC(C)COCCCCSC(=O)C 7a_100011995851_200010402107 [0,2,0,0,0,0|2,0,0]=4 9983 B15R0.210 CCCCC(C)NCCCCCNC(=O)C 2230a_200012022750_200011215066 [0,2,0,0,0,0|2,0,0]=4 9984 B15R0.210 CCCCC(C)NCCCCCNC(=O)C 270004a_200012022750_100000210087 [0,2,0,0,0,0|2,0,0]=4 9985 B15R0.210 CCCCC(C)NCCCCCNC(=O)C 34a_200012022750_200011215066 [0,2,0,0,0,0|2,0,0]=4 9986 B15R0.210 CCCCC(C)NCCCCCOC(=O)C 2230a_100000126638_100009813381 [0,2,0,0,0,0|2,0,0]=4 9987 B15R0.210 CCCCC(C)OCCCCCOC(=O)C 34a_100000687866_100000033007 [0,2,0,0,0,0|2,0,0]=4 9988 B15R0.210 CCCCC(C)OCCCCCOC(=O)C 7a_100000687866_100000033007 [0,2,0,0,0,0|2,0,0]=4 9989 B15R0.210 CCCCC(C)SCCCCCOC(=O)C 62a_100000033007_200011215066 [0,2,0,0,0,0|2,0,0]=4 9990 B15R0.210 CCCCC(C)SCCCCCOC(=O)C 62a_200011215066_100000033007 [0,2,0,0,0,0|2,0,0]=4 9991 B15R0.210 CCCC[C@H](N)COCCCCCC(=O)N 34a_100011934283_100009817443 [0,2,0,0,0,0|1,0,0]=3 9992 B15R0.210 CCCC[C@H](N)COCCCCOC(=O)C 34a_100011934283_100000033659 [0,2,0,0,0,0|2,0,0]=4 9993 B15R0.210 CCCC[C@H](N)COCCCCSC(=O)C 34a_100011934283_200010402107 [0,2,0,0,0,0|2,0,0]=4 9994 B15R0.210 CCCOC(C)CNCCCCCC(=O)N 2230a_100015185124_100009817443 [0,2,0,0,0,0|2,0,0]=4 9995 B15R0.210 CCCOC(C)CNCCCCCC(=O)N 34a_100015185124_100009817443 [0,2,0,0,0,0|2,0,0]=4 9996 B15R0.210 CCOCC(O)CNCCCCCC(=O)N 2230a_102515437182_100009817443 [0,2,0,0,0,0|2,0,0]=4 9997 B15R0.210 CCOCC(O)CNCCCCCC(=O)N 34a_102515437182_100009817443 [0,2,0,0,0,0|2,0,0]=4 9998 B15R0.210 CSCC[C@H](N)COCCCCCC(=O)N 34a_100011827619_100009817443 [0,2,0,0,0,0|2,0,0]=4 9999 B15R0.210 C[C@H](CCCO)CNCCCCCC(=O)N 2230a_100160569302_100009817443 [0,2,0,0,0,0|2,0,0]=4 10000 B15R0.210 C[C@H](CCCO)CNCCCCCC(=O)N 34a_100160569302_100009817443 [0,2,0,0,0,0|2,0,0]=4 10001 B15R0.222 C=C(C)CCOCCCCCCCC(C)C 34a_200000210741_100000730704 [0,2,0,0,0,0|2,0,0]=4 10002 B15R0.222 C=C(C)CCOCCCCCCCC(C)C 7a_200000210741_100000730704 [0,2,0,0,0,0|2,0,0]=4 10003 B15R0.222 CC(=O)CCCCCCCCCCC(=O)N 1458a_100000070787_200010167045 [0,2,0,0,0,0|1,0,0]=3 10004 B15R0.222 CC(=O)CCCCNCCCCCC(C)C 34a_100011290863_100009817362 [0,2,0,0,0,0|1,0,0]=3 10005 B15R0.222 CC(=O)CCCCNCCCOCC(C)C 34a_100000205972_100009817362 [0,2,0,0,0,0|2,0,0]=4 10006 B15R0.222 CC(=O)CCCCOCCCCCC(=O)N 34a_100000123541_100009817362 [0,2,0,0,0,0|1,0,1]=4 10007 B15R0.222 CC(=O)CCCCOCCCCCC(=O)N 7a_100000123541_100000735457 [0,2,0,0,0,0|1,0,1]=4 10008 B15R0.222 CC(=O)CCCCOCCCCCC(=O)[O-] 7a_100102619762_100000735457 [0,2,0,0,0,0|1,0,1]=4 10009 B15R0.222 CC(=O)CCCCOCCCCCC(C)C 34a_100011995859_100009817362 [0,2,0,0,0,0|1,0,0]=3 10010 B15R0.222 CC(=O)CCCCOCCCCCC(C)C 7a_100011995859_100000735457 [0,2,0,0,0,0|1,0,0]=3 10011 B15R0.222 CC(=O)CCCCOCCCCNC(C)C 34a_100011521146_100009817362 [0,2,0,0,0,0|2,0,0]=4 10012 B15R0.222 CC(=O)CCCCSCCCCCC(=O)N 62a_100000735457_100009817443 [0,2,0,0,0,0|1,0,1]=4 10013 B15R0.222 CC(=O)CCCCSCCCCCC(=O)N 62a_100009817443_100000735457 [0,2,0,0,0,0|1,0,1]=4 10014 B15R0.222 CC(=O)CCCCSCCCCCC(C)C 62a_100000210682_100000735457 [0,2,0,0,0,0|1,0,0]=3 10015 B15R0.222 CC(=O)CCCCSCCCCCC(C)C 62a_100000735457_100000210682 [0,2,0,0,0,0|1,0,0]=3 10016 B15R0.222 CC(=O)CCCNCCCCCCC(C)C 34a_100000211014_100000685027 [0,2,0,0,0,0|1,0,0]=3 10017 B15R0.222 CC(=O)CCCOCCCCCNC(C)C 34a_100011629493_100000685027 [0,2,0,0,0,0|2,0,0]=4 10018 B15R0.222 CC(=O)CCOCCCCCCCC(C)C 7a_200000210741_100000053229 [0,2,0,0,0,0|1,0,0]=3 10019 B15R0.222 CC(=O)NCCCCCCNCCC(C)C 2230a_200011996284_100000210312 [0,2,0,0,0,0|2,0,0]=4 10020 B15R0.222 CC(=O)NCCCCCCNCCC(C)C 269862a_200011996284_100000185833 [0,2,0,0,0,0|2,0,0]=4 10021 B15R0.222 CC(=O)NCCCCCCNCCC(C)C 34a_200011996284_100000210312 [0,2,0,0,0,0|2,0,0]=4 10022 B15R0.222 CC(=O)NCCCCCCNCCC(C)O 2230a_200011996284_100012276601 [0,2,0,0,0,0|2,0,0]=4 10023 B15R0.222 CC(=O)NCCCCCCNCCC(C)O 34a_200011996284_100012276601 [0,2,0,0,0,0|2,0,0]=4 10024 B15R0.222 CC(=O)NCCCCCNCCCC(C)C 2230a_200012022750_100011214892 [0,2,0,0,0,0|2,0,0]=4 10025 B15R0.222 CC(=O)NCCCCCNCCCC(C)C 34a_200012022750_100011214892 [0,2,0,0,0,0|2,0,0]=4 10026 B15R0.222 CC(=O)NCCCCCNCCCC(C)O 2230a_200012022750_200000718107 [0,2,0,0,0,0|2,0,0]=4 10027 B15R0.222 CC(=O)NCCCCCNCCCC(C)O 34a_200012022750_200000718107 [0,2,0,0,0,0|2,0,0]=4 10028 B15R0.222 CC(=O)NCCCCNCCCCC(C)C 2230a_200011368371_100011216152 [0,2,0,0,0,0|2,0,0]=4 10029 B15R0.222 CC(=O)NCCCCNCCCCC(C)C 34a_200011368371_100011216152 [0,2,0,0,0,0|2,0,0]=4 10030 B15R0.222 CC(=O)NCCCNCCCCCC(C)C 34a_100000736810_100000210682 [0,2,0,0,0,0|2,0,0]=4 10031 B15R0.222 CC(=O)NCCCOCCCCCC(C)C 34a_100000752032_100000210682 [0,2,0,0,0,0|2,0,0]=4 10032 B15R0.222 CC(=O)NCCNCCCCCCC(C)C 2230a_100000211014_100000189650 [0,2,0,0,0,0|2,0,0]=4 10033 B15R0.222 CC(=O)OCCCCCNCCCC(C)C 2230a_200000737386_100009813381 [0,2,0,0,0,0|2,0,0]=4 10034 B15R0.222 CC(=O)OCCCCCNCCCC(C)C 34a_200000737386_100000033007 [0,2,0,0,0,0|2,0,0]=4 10035 B15R0.222 CC(=O)OCCCCCOCCCC(C)C 34a_100000210774_100000033007 [0,2,0,0,0,0|2,0,0]=4 10036 B15R0.222 CC(=O)OCCCCCOCCCC(C)C 7a_100000210774_100000033007 [0,2,0,0,0,0|2,0,0]=4 10037 B15R0.222 CC(=O)OCCCCCSCCCC(C)C 62a_100000033007_100011214892 [0,2,0,0,0,0|2,0,0]=4 10038 B15R0.222 CC(=O)OCCCCCSCCCC(C)C 62a_100011214892_100000033007 [0,2,0,0,0,0|2,0,0]=4 10039 B15R0.222 CC(=O)OCCCCCSCCCC(C)O 62a_100000033007_200000718107 [0,2,0,0,0,0|2,0,0]=4 10040 B15R0.222 CC(=O)OCCCCCSCCCC(C)O 62a_200000718107_100000033007 [0,2,0,0,0,0|2,0,0]=4 10041 B15R0.222 CC(=O)OCCCCOCCCCC(C)C 34a_100000073216_100011216152 [0,2,0,0,0,0|2,0,0]=4 10042 B15R0.222 CC(=O)OCCCCOCCCCC(C)C 34a_100011214890_100000033659 [0,2,0,0,0,0|2,0,0]=4 10043 B15R0.222 CC(=O)OCCCCOCCCCC(C)C 7a_100000073216_100011216152 [0,2,0,0,0,0|2,0,0]=4 10044 B15R0.222 CC(=O)OCCCCOCCCCC(C)C 7a_100011214890_100000033659 [0,2,0,0,0,0|2,0,0]=4 10045 B15R0.222 CC(=O)OCCCCSCCCCC(C)C 62a_100000033659_100011216152 [0,2,0,0,0,0|2,0,0]=4 10046 B15R0.222 CC(=O)OCCCCSCCCCC(C)C 62a_100011216152_100000033659 [0,2,0,0,0,0|2,0,0]=4 10047 B15R0.222 CC(=O)OCCCNCCCCCC(C)C 34a_100011290863_100000042594 [0,2,0,0,0,0|2,0,0]=4 10048 B15R0.222 CC(=O)OCCCOCCCCCC(C)C 34a_100011995859_100000042594 [0,2,0,0,0,0|2,0,0]=4 10049 B15R0.222 CC(=O)OCCCOCCCCCC(C)C 7a_100011995859_100000042594 [0,2,0,0,0,0|2,0,0]=4 10050 B15R0.222 CC(=O)OCCCSCCCCCC(C)C 62a_100000042594_100000210682 [0,2,0,0,0,0|2,0,0]=4 10051 B15R0.222 CC(=O)OCCCSCCCCCC(C)C 62a_100000210682_100000042594 [0,2,0,0,0,0|2,0,0]=4 10052 B15R0.222 CC(=O)OCCNCCCCCCC(C)C 34a_100000211014_100009814007 [0,2,0,0,0,0|2,0,0]=4 10053 B15R0.222 CC(=O)OCOCCCCCCCC(C)C 34a_200000210741_100009813279 [0,2,0,0,0,0|2,0,0]=4 10054 B15R0.222 CC(=O)SCCCCCCNCCC(C)C 269862a_100000704104_100000185833 [0,2,0,0,0,0|2,0,0]=4 10055 B15R0.222 CC(=O)SCCCCOCCCCC(C)C 34a_100011214890_200010402107 [0,2,0,0,0,0|2,0,0]=4 10056 B15R0.222 CC(=O)SCCCCOCCCCC(C)C 7a_100011214890_200010402107 [0,2,0,0,0,0|2,0,0]=4 10057 B15R0.222 CC(=O)SCCCCSCCCCC(C)C 62a_100011216152_200010402107 [0,2,0,0,0,0|2,0,0]=4 10058 B15R0.222 CC(=O)SCCCCSCCCCC(C)C 62a_200010402107_100011216152 [0,2,0,0,0,0|2,0,0]=4 10059 B15R0.222 CC(=O)SCCCNCCCCCC(C)C 2230a_100011290863_100000038929 [0,2,0,0,0,0|2,0,0]=4 10060 B15R0.222 CC(=O)SCCCNCCCCCC(C)C 34a_100011290863_100000038929 [0,2,0,0,0,0|2,0,0]=4 10061 B15R0.222 CC(=O)SCCCOCCCCCC(C)C 34a_100011995859_100000038929 [0,2,0,0,0,0|2,0,0]=4 10062 B15R0.222 CC(=O)SCCCOCCCCCC(C)C 7a_100011995859_100000038929 [0,2,0,0,0,0|2,0,0]=4 10063 B15R0.222 CC(=O)SCCCSCCCCCC(C)C 62a_100000038929_100000210682 [0,2,0,0,0,0|2,0,0]=4 10064 B15R0.222 CC(=O)SCCCSCCCCCC(C)C 62a_100000210682_100000038929 [0,2,0,0,0,0|2,0,0]=4 10065 B15R0.222 CC(C)CCCCCCCOCCC(=O)N 34a_200000210741_100000731001 [0,2,0,0,0,0|1,0,0]=3 10066 B15R0.222 CC(C)CCCCCCCOCCC(=O)N 7a_200000210741_100000744528 [0,2,0,0,0,0|1,0,0]=3 10067 B15R0.222 CC(C)CCCCCCNCCCC(=O)N 34a_100000211014_100102525003 [0,2,0,0,0,0|1,0,0]=3 10068 B15R0.222 CC(C)CCCCCCNCCNC(=O)N 2230a_100000211014_200000034859 [0,2,0,0,0,0|2,0,0]=4 10069 B15R0.222 CC(C)CCCCCCNCCOC(=O)N 34a_100000211014_200011214921 [0,2,0,0,0,0|2,0,0]=4 10070 B15R0.222 CC(C)CCCCCNCCCCC(=O)N 34a_100000696515_100000210682 [0,2,0,0,0,0|1,0,0]=3 10071 B15R0.222 CC(C)CCCCCNCCOCC(=O)N 2230a_100011290863_100000076697 [0,2,0,0,0,0|2,0,0]=4 10072 B15R0.222 CC(C)CCCCCNCCOCC(=O)N 34a_100011290863_100000076697 [0,2,0,0,0,0|2,0,0]=4 10073 B15R0.222 CC(C)CCCCCNCCOCC(=O)O 269956a_100000700818_100000210682 [0,2,0,0,0,0|2,0,0]=4 10074 B15R0.222 CC(C)CCCCCOCCCCC(=O)N 34a_100012022536_100000210682 [0,2,0,0,0,0|1,0,0]=3 10075 B15R0.222 CC(C)CCCCCOCCCCC(=O)N 7a_100012022536_100000210682 [0,2,0,0,0,0|1,0,0]=3 10076 B15R0.222 CC(C)CCCCCOCCCC[N+](=O)[O-] 34a_200015379883_100000210682 [0,2,0,0,0,0|2,0,0]=4 10077 B15R0.222 CC(C)CCCCCOCCCC[N+](=O)[O-] 7a_200015379883_100000210682 [0,2,0,0,0,0|2,0,0]=4 10078 B15R0.222 CC(C)CCCCCOCCOCC(=O)N 34a_100011995859_100000076697 [0,2,0,0,0,0|2,0,0]=4 10079 B15R0.222 CC(C)CCCCCOCCOCC(=O)N 7a_100011995859_100000076697 [0,2,0,0,0,0|2,0,0]=4 10080 B15R0.222 CC(C)CCCCCSCCOCC(=O)N 62a_100000076697_100000210682 [0,2,0,0,0,0|2,0,0]=4 10081 B15R0.222 CC(C)CCCCCSCCOCC(=O)N 62a_100000210682_100000076697 [0,2,0,0,0,0|2,0,0]=4 10082 B15R0.222 CC(C)CCCCOCCCCCC(=O)N 34a_100000123541_100011216152 [0,2,0,0,0,0|1,0,0]=3 10083 B15R0.222 CC(C)CCCCOCCCCCC(=O)N 34a_100011214890_100009817443 [0,2,0,0,0,0|1,0,0]=3 10084 B15R0.222 CC(C)CCCCOCCCCCC(=O)N 7a_100000123541_100011216152 [0,2,0,0,0,0|1,0,0]=3 10085 B15R0.222 CC(C)CCCCOCCCCCC(=O)N 7a_100011214890_100009817443 [0,2,0,0,0,0|1,0,0]=3 10086 B15R0.222 CC(C)CCCCOCCCCCC(=O)[O-] 7a_100102619762_100011216152 [0,2,0,0,0,0|1,0,0]=3 10087 B15R0.222 CC(C)CCCCSCCCCCC(=O)N 62a_100009817443_100011216152 [0,2,0,0,0,0|1,0,0]=3 10088 B15R0.222 CC(C)CCCCSCCCCCC(=O)N 62a_100011216152_100009817443 [0,2,0,0,0,0|1,0,0]=3 10089 B15R0.222 CC(C)CNCCOCCCCCC(=O)N 34a_100015185251_100009817443 [0,2,0,0,0,0|2,0,0]=4 10090 B15R0.222 CC(C)COCCOCCCCCC(=O)N 34a_100000703358_100009817443 [0,2,0,0,0,0|2,0,0]=4 10091 B15R0.222 CC(C)COCCOCCCCCC(=O)N 7a_100000703358_100009817443 [0,2,0,0,0,0|2,0,0]=4 10092 B15R0.222 CC(C)CSCCOCCCCCC(=O)N 34a_200000230437_100009817443 [0,2,0,0,0,0|2,0,0]=4 10093 B15R0.222 CC(C)CSCCOCCCCCC(=O)N 7a_200000230437_100009817443 [0,2,0,0,0,0|2,0,0]=4 10094 B15R0.222 CC(C)NCCCCCOCCCC(=O)N 34a_100011629493_100102525003 [0,2,0,0,0,0|2,0,0]=4 10095 B15R0.222 CC(C)NCCCOCCCCCC(=O)N 34a_100000182298_100009817443 [0,2,0,0,0,0|2,0,0]=4 10096 B15R0.222 CC(C)OCCCNCCCCCC(=O)N 2230a_100000737246_100009817443 [0,2,0,0,0,0|2,0,0]=4 10097 B15R0.222 CC(C)OCCCNCCCCCC(=O)N 34a_100000737246_100009817443 [0,2,0,0,0,0|2,0,0]=4 10098 B15R0.222 CN(C)CCCCCCCCCCC(=O)N 2230a_100102631434_200010167045 [0,2,0,0,0,0|1,0,0]=3 10099 B15R0.222 CN(C)CCCCCCCCCCC(=O)N 269982a_100102631434_200010167045 [0,2,0,0,0,0|1,0,0]=3 10100 B15R0.222 CN(C)CCCCSCCCCCC(=O)N 62a_100009817443_100000690147 [0,2,0,0,0,0|2,0,0]=4 10101 B15R0.3212 CCCC(CCOCCCCC(=O)C)SC 34a_100000032865_100009817362 [0,2,0,0,0,0|2,0,0]=4 10102 B15R0.3212 CCCC(CCOCCCCC(=O)C)SC 7a_100000032865_100000735457 [0,2,0,0,0,0|2,0,0]=4 10103 B15R0.4332 CCCC(C)(C)COCCCCCC(=O)N 7a_100011995695_100009817443 [0,2,0,0,0,0|2,0,0]=4 10104 B15R0.1776 CCCCCCC(C)(C)OCCCC(=O)C 7a_200011995690_100011215641 [0,2,0,0,0,0|2,0,0]=4 10105 B15R0.1776 CCCCCCC(C)(C)OCCCC(=O)N 7a_200011995690_100102525003 [0,2,0,0,0,0|2,0,0]=4 10106 B15R0.4108 C=CC(CCCCCC)OCCCC(=O)C 34a_200011215977_100000685027 [0,2,0,0,0,0|2,0,0]=4 10107 B15R0.4108 C=CC(CCCCCC)OCCCC(=O)C 7a_200011215977_100011215641 [0,2,0,0,0,0|2,0,0]=4 10108 B15R0.4108 C=CC(CCCCCC)OCCCC(=O)N 34a_200011215977_100102525003 [0,2,0,0,0,0|2,0,0]=4 10109 B15R0.4108 C=CC(CCCCCC)OCCCC(=O)N 7a_200011215977_100102525003 [0,2,0,0,0,0|2,0,0]=4 10110 B15R0.4108 CCCCCCC(CC)OCCCC(=O)C 34a_100011215785_100000685027 [0,2,0,0,0,0|2,0,0]=4 10111 B15R0.4108 CCCCCCC(CC)OCCCC(=O)C 7a_100011215785_100011215641 [0,2,0,0,0,0|2,0,0]=4 10112 B15R0.4108 CCCCCCC(CC)OCCCC(=O)N 34a_100011215785_100102525003 [0,2,0,0,0,0|2,0,0]=4 10113 B15R0.4108 CCCCCCC(CC)OCCCC(=O)N 7a_100011215785_100102525003 [0,2,0,0,0,0|2,0,0]=4 10114 B13R1.28 C=CCCCCNC1CCCCC1 2230a_100000182618_100011215482 [1,0,0,1,0,0|2,0,0]=4 10115 B13R1.28 C=CCCCCNC1CCCCC1 270004a_100000703577_100000210434 [1,0,0,1,0,0|2,0,0]=4 10116 B13R1.28 C=CCCCCNC1CCCCC1 34a_100000182618_100011215482 [1,0,0,1,0,0|2,0,0]=4 10117 B13R1.28 C=CCCCCNC1CCCCC1 34a_100000703577_100000210327 [1,0,0,1,0,0|2,0,0]=4 10118 B13R1.28 C=CCCCCOC1CCCCC1 34a_100000210231_100011215482 [1,0,0,1,0,0|2,0,0]=4 10119 B13R1.28 C=CCCCCOC1CCCCC1 34a_100000766645_100000210327 [1,0,0,1,0,0|2,0,0]=4 10120 B13R1.28 C=CCCCCOC1CCCCC1 7a_100000210231_100011215482 [1,0,0,1,0,0|2,0,0]=4 10121 B13R1.28 C=CCCCCOC1CCCCC1 7a_100000766645_100000210327 [1,0,0,1,0,0|2,0,0]=4 10122 B13R1.28 C=CCCCCSC1CCCCC1 62a_100000210327_100011215482 [1,0,0,1,0,0|2,0,0]=4 10123 B13R1.28 C=CCCCCSC1CCCCC1 62a_100011215482_100000210327 [1,0,0,1,0,0|2,0,0]=4 10124 B13R1.28 C=CCCCNCC1CCCCC1 2230a_100000210473_100011713584 [1,0,0,1,0,0|2,0,0]=4 10125 B13R1.28 C=CCCCNCC1CCCCC1 2230a_100000700776_100000211423 [1,0,0,1,0,0|2,0,0]=4 10126 B13R1.28 C=CCCCNCC1CCCCC1 269862a_100000700776_100000211278 [1,0,0,1,0,0|2,0,0]=4 10127 B13R1.28 C=CCCCNCC1CCCCC1 34a_100000210473_100000757094 [1,0,0,1,0,0|2,0,0]=4 10128 B13R1.28 C=CCCCNCC1CCCCC1 34a_100000700776_100000211423 [1,0,0,1,0,0|2,0,0]=4 10129 B13R1.28 C=CCCCOCC1CCCCC1 34a_100000212181_100000757094 [1,0,0,1,0,0|2,0,0]=4 10130 B13R1.28 C=CCCCOCC1CCCCC1 34a_100000758997_100000211423 [1,0,0,1,0,0|2,0,0]=4 10131 B13R1.28 C=CCCCOCC1CCCCC1 7a_100000212181_100000757094 [1,0,0,1,0,0|2,0,0]=4 10132 B13R1.28 C=CCCCOCC1CCCCC1 7a_100000758997_100000211423 [1,0,0,1,0,0|2,0,0]=4 10133 B13R1.28 C=CCCCSCC1CCCCC1 62a_100000211423_100000757094 [1,0,0,1,0,0|2,0,0]=4 10134 B13R1.28 C=CCCCSCC1CCCCC1 62a_100011713584_100000211423 [1,0,0,1,0,0|2,0,0]=4 10135 B13R1.28 C=CCCNCCC1CCCCC1 2230a_100000738074_100000754431 [1,0,0,1,0,0|2,0,0]=4 10136 B13R1.28 C=CCCNCCC1CCCCC1 2230a_100015191253_100012355289 [1,0,0,1,0,0|2,0,0]=4 10137 B13R1.28 C=CCCNCCC1CCCCC1 270004a_100015191253_100011713444 [1,0,0,1,0,0|2,0,0]=4 10138 B13R1.28 C=CCCNCCC1CCCCC1 34a_100000738074_100000754431 [1,0,0,1,0,0|2,0,0]=4 10139 B13R1.28 C=CCCOCCC1CCCCC1 34a_100011205117_100011209188 [1,0,0,1,0,0|2,0,0]=4 10140 B13R1.28 C=CCCOCCC1CCCCC1 34a_100011217863_100000754431 [1,0,0,1,0,0|2,0,0]=4 10141 B13R1.28 C=CCCOCCC1CCCCC1 7a_100011217863_100000754431 [1,0,0,1,0,0|2,0,0]=4 10142 B13R1.28 C=CCCSCCC1CCCCC1 62a_100000754431_100012355289 [1,0,0,1,0,0|2,0,0]=4 10143 B13R1.28 C=CCCSCCC1CCCCC1 62a_100012355289_100000754431 [1,0,0,1,0,0|2,0,0]=4 10144 B13R1.28 C=CCNCCCC1CCCCC1 2230a_100011211642_100000210623 [1,0,0,1,0,0|2,0,0]=4 10145 B13R1.28 C=CCNCCCC1CCCCC1 2230a_100020586998_100011713725 [1,0,0,1,0,0|2,0,0]=4 10146 B13R1.28 C=CCNCCCC1CCCCC1 34a_100011211642_100015514636 [1,0,0,1,0,0|2,0,0]=4 10147 B13R1.28 C=CCOCCCC1CCCCC1 34a_100000198086_100015514636 [1,0,0,1,0,0|2,0,0]=4 10148 B13R1.28 C=CCOCCCC1CCCCC1 34a_200000210373_100011713725 [1,0,0,1,0,0|2,0,0]=4 10149 B13R1.28 C=CCOCCCC1CCCCC1 7a_100000198086_100015514636 [1,0,0,1,0,0|2,0,0]=4 10150 B13R1.28 C=CCSCCCC1CCCCC1 62a_100000210623_100011713725 [1,0,0,1,0,0|2,0,0]=4 10151 B13R1.28 C=CCSCCCC1CCCCC1 62a_100011713725_100000210623 [1,0,0,1,0,0|2,0,0]=4 10152 B13R1.28 CCCCCCNC1C=CCCC1 2230a_100000210581_100000751183 [1,0,0,1,0,0|2,0,0]=4 10153 B13R1.28 CCCCCCOC1C=CCCC1 34a_100011215024_100000210314 [1,0,0,1,0,0|2,0,0]=4 10154 B13R1.28 CCCCCCOC1C=CCCC1 7a_100000210259_100000751183 [1,0,0,1,0,0|2,0,0]=4 10155 B13R1.28 CCCCCCSC1C=CCCC1 62a_100000210314_100000751183 [1,0,0,1,0,0|2,0,0]=4 10156 B13R1.28 CCCCCCSC1C=CCCC1 62a_100000751183_100000210757 [1,0,0,1,0,0|2,0,0]=4 10157 B13R1.28 ClCCCCCOC1CCCCC1 34a_100000746330_100000210327 [1,0,0,1,0,0|1,0,1]=4 10158 B13R1.28 ClCCCCCOC1CCCCC1 7a_100000746330_100000210327 [1,0,0,1,0,0|1,0,1]=4 10159 B13R1.28 ClCCCCOCC1CCCCC1 34a_100000210776_100000211423 [1,0,0,1,0,0|1,0,1]=4 10160 B13R1.28 ClCCCCOCC1CCCCC1 7a_100000210776_100000211423 [1,0,0,1,0,0|1,0,1]=4 10161 B13R1.28 ClCCCOCCC1CCCCC1 34a_100000230001_100011209188 [1,0,0,1,0,0|1,0,1]=4 10162 B13R1.28 O=CCCCCCN1CCCOC1 2230a_100000131196_100000139337 [1,0,0,1,0,0|2,0,0]=4 10163 B13R1.28 O=CCCCCCN1CCCOC1 269982a_100000131196_100000139337 [1,0,0,1,0,0|2,0,0]=4 10164 B13R1.28 O=CCCCCCN1CCOCC1 2230a_100015191051_100000139337 [1,0,0,1,0,0|2,0,0]=4 10165 B13R1.28 O=CCCCCCN1CCOCC1 269982a_100015191051_100000139337 [1,0,0,1,0,0|2,0,0]=4 10166 B13R1.28 O=CCCCCCN1CCSCC1 2230a_100000737611_100000139337 [1,0,0,1,0,0|2,0,0]=4 10167 B13R1.28 O=CCCCCCN1CCSCC1 269982a_100000737611_100000139337 [1,0,0,1,0,0|2,0,0]=4 10168 B13R1.28 O=CCCCCNC1CCCCC1 2230a_100000182618_100000139335 [1,0,0,1,0,0|1,0,0]=3 10169 B13R1.28 O=CCCCCNC1CCCOC1 2230a_100000719290_100000139335 [1,0,0,1,0,0|2,0,0]=4 10170 B13R1.28 O=CCCCCNC1CCOCC1 2230a_100000741149_100000139335 [1,0,0,1,0,0|2,0,0]=4 10171 B13R1.28 O=CCCCCNC1CCSCC1 2230a_100000748639_100000139335 [1,0,0,1,0,0|2,0,0]=4 10172 B13R1.28 O=CCCCCOC1CCCCC1 7a_100000210231_100000139335 [1,0,0,1,0,0|1,0,0]=3 10173 B13R1.28 O=CCCCCOC1CCCSC1 7a_100015962668_100000139335 [1,0,0,1,0,0|2,0,0]=4 10174 B13R1.28 O=CCCCCOC1CCSCC1 7a_100000731022_100000139335 [1,0,0,1,0,0|2,0,0]=4 10175 B13R1.28 O=CCCCCSC1CCCCC1 62a_100000139335_100000210327 [1,0,0,1,0,0|1,0,0]=3 10176 B13R1.28 O=CCCCCSC1CCCCC1 62a_100000210327_100000139335 [1,0,0,1,0,0|1,0,0]=3 10177 B13R1.28 O=CCCCCSC1CCCOC1 62a_100000139335_100000693364 [1,0,0,1,0,0|2,0,0]=4 10178 B13R1.28 O=CCCCCSC1CCOCC1 62a_100000139335_100011324220 [1,0,0,1,0,0|2,0,0]=4 10179 B13R1.28 O=CCCCCSC1CCSCC1 62a_100000139335_100000069128 [1,0,0,1,0,0|2,0,0]=4 10180 B13R1.28 O=CCCCNCC1CCCCC1 2230a_100000210473_200011292268 [1,0,0,1,0,0|1,0,0]=3 10181 B13R1.28 O=CCCCNCC1CCCCO1 2230a_100000174945_200011292268 [1,0,0,1,0,0|2,0,0]=4 10182 B13R1.28 O=CCCCNCC1CCCOC1 2230a_100000720124_200011292268 [1,0,0,1,0,0|2,0,0]=4 10183 B13R1.28 O=CCCCNCC1CCOCC1 2230a_100000746373_200011292268 [1,0,0,1,0,0|2,0,0]=4 10184 B13R1.28 O=CCCCNCC1CCSCC1 2230a_100015188806_200011292268 [1,0,0,1,0,0|2,0,0]=4 10185 B13R1.28 O=CCCCOCC1CCCCC1 7a_100000212181_200011292268 [1,0,0,1,0,0|1,0,0]=3 10186 B13R1.28 O=CCCCOCC1CCCCO1 7a_100000211370_200011292268 [1,0,0,1,0,0|2,0,0]=4 10187 B13R1.28 O=CCCCOCC1CCSCC1 7a_100000070558_200011292268 [1,0,0,1,0,0|2,0,0]=4 10188 B13R1.28 O=CCCCSCC1CCCCC1 62a_100000211423_200011292268 [1,0,0,1,0,0|1,0,0]=3 10189 B13R1.28 O=CCCCSCC1CCCCC1 62a_200011292268_100000211423 [1,0,0,1,0,0|1,0,0]=3 10190 B13R1.28 O=CCCCSCC1CCCCO1 62a_100000211543_200011292268 [1,0,0,1,0,0|2,0,0]=4 10191 B13R1.28 O=CCCCSCC1CCCCO1 62a_200011292268_100000211543 [1,0,0,1,0,0|2,0,0]=4 10192 B13R1.28 O=CCCCSCC1CCCOC1 62a_100000741521_200011292268 [1,0,0,1,0,0|2,0,0]=4 10193 B13R1.28 O=CCCCSCC1CCCOC1 62a_200011292268_100000741521 [1,0,0,1,0,0|2,0,0]=4 10194 B13R1.28 O=CCCCSCC1CCOCC1 62a_100000754603_200011292268 [1,0,0,1,0,0|2,0,0]=4 10195 B13R1.28 O=CCCCSCC1CCOCC1 62a_200011292268_100000749018 [1,0,0,1,0,0|2,0,0]=4 10196 B13R1.28 O=CCNCCCC1CCCCC1 2230a_100011211642_200015260668 [1,0,0,1,0,0|1,0,0]=3 10197 B13R1.28 O=CCNCCCC1CCCCC1 34a_100011211642_200009817547 [1,0,0,1,0,0|1,0,0]=3 10198 B13R1.28 O=CCNCCOC1CCCCC1 34a_100015206981_200009817547 [1,0,0,1,0,0|2,0,0]=4 10199 B13R1.28 O=CCOCCCC1CCCCC1 34a_100000198086_200009817547 [1,0,0,1,0,0|1,0,0]=3 10200 B13R1.28 O=CCOCCCC1CCCCC1 7a_100000198086_200015260668 [1,0,0,1,0,0|1,0,0]=3 10201 B13R1.28 O=CCOCCCC1CCCCN1 34a_100011934581_200009817547 [1,0,0,1,0,0|2,0,0]=4 10202 B13R1.28 O=CCOCCCC1CCCNC1 34a_100150707839_200009817547 [1,0,0,1,0,0|2,0,0]=4 10203 B13R1.28 O=CCOCCCC1CCNCC1 34a_100016988962_200009817547 [1,0,0,1,0,0|2,0,0]=4 10204 B13R1.28 O=CCOCCCN1CCCCC1 34a_100000212458_200009817547 [1,0,0,1,0,0|2,0,0]=4 10205 B13R1.28 O=CCOCCNC1CCCCC1 34a_100000200466_200009817547 [1,0,0,1,0,0|2,0,0]=4 10206 B13R1.28 O=CCOCCOC1CCCCC1 34a_100011249652_200009817547 [1,0,0,1,0,0|2,0,0]=4 10207 B13R1.28 O=CCOCCOC1CCCCC1 7a_100011249652_200015260668 [1,0,0,1,0,0|2,0,0]=4 10208 B13R1.28 O=CCSCCCC1CCCCC1 62a_100011713725_200015260668 [1,0,0,1,0,0|1,0,0]=3 10209 B13R1.28 O=CCSCCCC1CCCCC1 62a_200015260668_100011713725 [1,0,0,1,0,0|1,0,0]=3 10210 B13R1.28 O=CCSCCCN1CCCCC1 62a_100132302099_200015260668 [1,0,0,1,0,0|2,0,0]=4 10211 B13R1.28 O=CCSCCCN1CCCCC1 62a_200015260668_100000007876 [1,0,0,1,0,0|2,0,0]=4 10212 B13R1.28 O=CCSCCOC1CCCCC1 62a_100011211530_200015260668 [1,0,0,1,0,0|2,0,0]=4 10213 B13R1.28 O=CCSCCOC1CCCCC1 62a_200015260668_100011211530 [1,0,0,1,0,0|2,0,0]=4 10214 B13R1.34 CCCCNC1CCCCCC1=O 7a_106832991798_100000243696 [1,0,0,1,0,0|1,0,0]=3 10215 B13R1.34 CCCCNC1CCCCNC1=O 2230a_100000102301_100000735217 [1,0,0,1,0,0|2,0,0]=4 10216 B13R1.34 CCCCNC1CCCCNC1=O 2230a_100000698827_100000210211 [1,0,0,1,0,0|2,0,0]=4 10217 B13R1.34 CCCCNC1CCCCNC1=O 34a_100000698827_100000210210 [1,0,0,1,0,0|2,0,0]=4 10218 B13R1.34 CCCCNC1CCCCNC1=O 7a_106832991798_100000735217 [1,0,0,1,0,0|2,0,0]=4 10219 B13R1.34 CCCCOC1CCCCCC1=O 7a_100000210227_100000243696 [1,0,0,1,0,0|1,0,0]=3 10220 B13R1.34 CCCCOC1CCCCNC1=O 7a_100000210227_100000735217 [1,0,0,1,0,0|2,0,0]=4 10221 B13R1.34 CCCCSC1CCCCCC1=O 62a_100000210211_100000243696 [1,0,0,1,0,0|1,0,0]=3 10222 B13R1.34 CCCCSC1CCCCCC1=O 62a_100000243696_100000210210 [1,0,0,1,0,0|1,0,0]=3 10223 B13R1.34 CCCCSC1CCCCNC1=O 62a_100000210211_100000735217 [1,0,0,1,0,0|2,0,0]=4 10224 B13R1.34 CCCCSC1CCCCNC1=O 62a_100000735217_100000210210 [1,0,0,1,0,0|2,0,0]=4 10225 B13R1.34 CCOCSC1CCCCCC1=O 62a_100000243696_100000739092 [1,0,0,1,0,0|2,0,0]=4 10226 B13R1.34 CCOCSC1CCCCCC1=O 62a_100000739092_100000243696 [1,0,0,1,0,0|2,0,0]=4 10227 B13R1.34 CNCCCN1CCCCCC1=O 2230a_100000195386_200000210301 [1,0,0,1,0,0|2,0,0]=4 10228 B13R1.34 CNCCCN1CCCCCC1=O 34a_100000195386_200000210301 [1,0,0,1,0,0|2,0,0]=4 10229 B13R1.34 COCCSC1CCCCCC1=O 62a_100000233755_100000243696 [1,0,0,1,0,0|2,0,0]=4 10230 B13R1.34 COCCSC1CCCCCC1=O 62a_100000243696_100000233755 [1,0,0,1,0,0|2,0,0]=4 10231 B13R1.34 CSCCOC1CCCCCC1=O 7a_100000230434_100000243696 [1,0,0,1,0,0|2,0,0]=4 10232 B13R1.34 CSCCSC1CCCCCC1=O 62a_100000212216_100000243696 [1,0,0,1,0,0|2,0,0]=4 10233 B13R1.34 CSCCSC1CCCCCC1=O 62a_100000243696_100000751147 [1,0,0,1,0,0|2,0,0]=4 10234 B13R1.34 O=C1CCCCCC1SCCCF 62a_100000243696_100011934791 [1,0,0,1,0,0|2,0,0]=4 10235 B13R1.34 O=C1CCCCCC1SCCCF 62a_100011934791_100000243696 [1,0,0,1,0,0|2,0,0]=4 10236 B13R1.34 O=C1CCCCCC1SCCCO 62a_100000243696_100011215043 [1,0,0,1,0,0|2,0,0]=4 10237 B13R1.34 O=C1CCCCCC1SCCCO 62a_100011215043_100000243696 [1,0,0,1,0,0|2,0,0]=4 10238 B13R1.34 [13CH3]NCCCN1CCCCCC1=O 2230a_100000195386_200025704644 [1,0,0,1,0,0|2,0,0]=4 10239 B13R1.34 [13CH3]NCCCN1CCCCCC1=O 34a_100000195386_200025704644 [1,0,0,1,0,0|2,0,0]=4 10240 B13R1.84 C=CCCCN1CCCCC1CC 2230a_100000210034_100011713584 [1,0,0,1,0,0|2,0,0]=4 10241 B13R1.84 C=CCCCN1CCCCC1CC 269982a_100000210034_100000757094 [1,0,0,1,0,0|2,0,0]=4 10242 B13R1.84 C=CCCCN1CCCCC1CC 34a_100000210034_100000757094 [1,0,0,1,0,0|2,0,0]=4 10243 B13R1.84 C=CCCNC1CCCCC1CC 269862a_100015191253_100000757040 [1,0,0,1,0,0|2,0,0]=4 10244 B13R1.84 C=CCCNC1CCCCC1CC 270004a_100015191253_100000757040 [1,0,0,1,0,0|2,0,0]=4 10245 B13R1.84 C=CCCOC1CCCCC1CC 34a_100000210738_100000754431 [1,0,0,1,0,0|2,0,0]=4 10246 B13R1.84 C=CCCOC1CCCCC1CC 7a_100000210738_100000754431 [1,0,0,1,0,0|2,0,0]=4 10247 B13R1.84 CCC1CCCCN1CCCC=O 2230a_100000210034_200011292268 [1,0,0,1,0,0|1,0,0]=3 10248 B13R1.84 CCC1CCCCN1CCCC=O 269982a_100000210034_200011292268 [1,0,0,1,0,0|1,0,0]=3 10249 B13R1.84 CCN1CCCCC1CNCC=O 2230a_100000754393_200015260668 [1,0,0,1,0,0|2,0,0]=4 10250 B13R1.84 CCN1CCCCC1CNCC=O 34a_100000754393_200009817547 [1,0,0,1,0,0|2,0,0]=4 10251 B13R1.84 CCN1CCCCC1COCC=O 34a_100000225091_200009817547 [1,0,0,1,0,0|2,0,0]=4 10252 B13R1.84 CCN1CCCCC1COCC=O 7a_100000225091_200015260668 [1,0,0,1,0,0|2,0,0]=4 10253 B13R1.84 CC[C@H]1COCCN1CCCC=O 2230a_100016988097_200011292268 [1,0,0,1,0,0|2,0,0]=4 10254 B13R1.84 CC[C@H]1COCCN1CCCC=O 269982a_100016988097_200011292268 [1,0,0,1,0,0|2,0,0]=4 10255 B13R1.84 O=CCCCN1CCCCC1CO 2230a_100000210821_200011292268 [1,0,0,1,0,0|2,0,0]=4 10256 B13R1.84 O=CCCCN1CCCCC1CO 269982a_100000210821_200011292268 [1,0,0,1,0,0|2,0,0]=4 10257 B13R1.119 C=CCCCCCCN1CCCC1 2230a_100000188435_100011215473 [1,0,0,1,0,0|2,0,0]=4 10258 B13R1.119 C=CCCCCCCN1CCCC1 269982a_100000188435_100011215473 [1,0,0,1,0,0|2,0,0]=4 10259 B13R1.119 C=CCCCCCNC1CCCC1 2230a_100000211070_100000700193 [1,0,0,1,0,0|2,0,0]=4 10260 B13R1.119 C=CCCCCCNC1CCCC1 34a_100000211070_100000700193 [1,0,0,1,0,0|2,0,0]=4 10261 B13R1.119 C=CCCCCCOC1CCCC1 34a_100000210269_100000700193 [1,0,0,1,0,0|2,0,0]=4 10262 B13R1.119 C=CCCCCCOC1CCCC1 34a_100011216702_100000179811 [1,0,0,1,0,0|2,0,0]=4 10263 B13R1.119 C=CCCCCCOC1CCCC1 7a_100000210269_100000700193 [1,0,0,1,0,0|2,0,0]=4 10264 B13R1.119 C=CCCCCCOC1CCCC1 7a_100011216702_100000179811 [1,0,0,1,0,0|2,0,0]=4 10265 B13R1.119 C=CCCCCCSC1CCCC1 62a_100000700193_100000179811 [1,0,0,1,0,0|2,0,0]=4 10266 B13R1.119 C=CCCCCCSC1CCCC1 62a_100011217020_100000700193 [1,0,0,1,0,0|2,0,0]=4 10267 B13R1.119 C=CCCCCNCC1CCCC1 2230a_100000703577_100000740388 [1,0,0,1,0,0|2,0,0]=4 10268 B13R1.119 C=CCCCCNCC1CCCC1 2230a_100000737975_100011215482 [1,0,0,1,0,0|2,0,0]=4 10269 B13R1.119 C=CCCCCNCC1CCCC1 269862a_100000703577_100000746403 [1,0,0,1,0,0|2,0,0]=4 10270 B13R1.119 C=CCCCCNCC1CCCC1 34a_100000703577_100000740388 [1,0,0,1,0,0|2,0,0]=4 10271 B13R1.119 C=CCCCCNCC1CCCC1 34a_100000737975_100011215482 [1,0,0,1,0,0|2,0,0]=4 10272 B13R1.119 C=CCCCCOCC1CCCC1 34a_100000742336_100011215482 [1,0,0,1,0,0|2,0,0]=4 10273 B13R1.119 C=CCCCCOCC1CCCC1 34a_100000766645_100000740388 [1,0,0,1,0,0|2,0,0]=4 10274 B13R1.119 C=CCCCCOCC1CCCC1 7a_100000742336_100011215482 [1,0,0,1,0,0|2,0,0]=4 10275 B13R1.119 C=CCCCCOCC1CCCC1 7a_100000766645_100000740388 [1,0,0,1,0,0|2,0,0]=4 10276 B13R1.119 C=CCCCCSCC1CCCC1 62a_100000740388_100011215482 [1,0,0,1,0,0|2,0,0]=4 10277 B13R1.119 C=CCCCCSCC1CCCC1 62a_100011215482_100000740388 [1,0,0,1,0,0|2,0,0]=4 10278 B13R1.119 C=CCCCNCCC1CCCC1 2230a_100000700776_100000760354 [1,0,0,1,0,0|2,0,0]=4 10279 B13R1.119 C=CCCCNCCC1CCCC1 2230a_100000739158_100011713584 [1,0,0,1,0,0|2,0,0]=4 10280 B13R1.119 C=CCCCNCCC1CCCC1 34a_100000700776_100000760354 [1,0,0,1,0,0|2,0,0]=4 10281 B13R1.119 C=CCCCNCCC1CCCC1 34a_100000739158_100000757094 [1,0,0,1,0,0|2,0,0]=4 10282 B13R1.119 C=CCCCOCCC1CCCC1 34a_100000749090_100000757094 [1,0,0,1,0,0|2,0,0]=4 10283 B13R1.119 C=CCCCOCCC1CCCC1 34a_100000758997_100000760354 [1,0,0,1,0,0|2,0,0]=4 10284 B13R1.119 C=CCCCOCCC1CCCC1 7a_100000749090_100000757094 [1,0,0,1,0,0|2,0,0]=4 10285 B13R1.119 C=CCCCOCCC1CCCC1 7a_100000758997_100000760354 [1,0,0,1,0,0|2,0,0]=4 10286 B13R1.119 C=CCCCSCCC1CCCC1 62a_100000760354_100000757094 [1,0,0,1,0,0|2,0,0]=4 10287 B13R1.119 C=CCCCSCCC1CCCC1 62a_100011713584_100000760354 [1,0,0,1,0,0|2,0,0]=4 10288 B13R1.119 C=CCCNCCCC1CCCC1 2230a_100000736752_100000754431 [1,0,0,1,0,0|2,0,0]=4 10289 B13R1.119 C=CCCNCCCC1CCCC1 2230a_100015191253_100011713738 [1,0,0,1,0,0|2,0,0]=4 10290 B13R1.119 C=CCCNCCCC1CCCC1 34a_100000736752_100000754431 [1,0,0,1,0,0|2,0,0]=4 10291 B13R1.119 C=CCCOCCCC1CCCC1 34a_100011205117_100011713738 [1,0,0,1,0,0|2,0,0]=4 10292 B13R1.119 C=CCCOCCCC1CCCC1 34a_100011215328_100000754431 [1,0,0,1,0,0|2,0,0]=4 10293 B13R1.119 C=CCCOCCCC1CCCC1 7a_100011215328_100000754431 [1,0,0,1,0,0|2,0,0]=4 10294 B13R1.119 C=CCCSCCCC1CCCC1 62a_100000754431_100011713738 [1,0,0,1,0,0|2,0,0]=4 10295 B13R1.119 C=CCCSCCCC1CCCC1 62a_100011713738_100000754431 [1,0,0,1,0,0|2,0,0]=4 10296 B13R1.119 ClCCCCCCOC1CCCC1 34a_100000766143_100000179811 [1,0,0,1,0,0|1,0,1]=4 10297 B13R1.119 ClCCCCCCOC1CCCC1 7a_100000766143_100000179811 [1,0,0,1,0,0|1,0,1]=4 10298 B13R1.119 ClCCCCCOCC1CCCC1 34a_100000746330_100000740388 [1,0,0,1,0,0|1,0,1]=4 10299 B13R1.119 ClCCCCCOCC1CCCC1 7a_100000746330_100000740388 [1,0,0,1,0,0|1,0,1]=4 10300 B13R1.119 ClCCCCOCCC1CCCC1 34a_100000210776_100000760354 [1,0,0,1,0,0|1,0,1]=4 10301 B13R1.119 ClCCCCOCCC1CCCC1 7a_100000210776_100000760354 [1,0,0,1,0,0|1,0,1]=4 10302 B13R1.119 ClCCCOCCCC1CCCC1 34a_100000230001_100011713738 [1,0,0,1,0,0|1,0,1]=4 10303 B13R1.119 O=CCCCCCNC1CCCC1 2230a_100000211070_100000139337 [1,0,0,1,0,0|1,0,0]=3 10304 B13R1.119 O=CCCCCCN[C@@H]1CCOC1 2230a_200015188469_100000139337 [1,0,0,1,0,0|2,0,0]=4 10305 B13R1.119 O=CCCCCCN[C@H]1CCOC1 2230a_100015188467_100000139337 [1,0,0,1,0,0|2,0,0]=4 10306 B13R1.119 O=CCCCCCOC1CCCC1 7a_100000210269_100000139337 [1,0,0,1,0,0|1,0,0]=3 10307 B13R1.119 O=CCCCCCOC1CCSC1 7a_100011232664_100000139337 [1,0,0,1,0,0|2,0,0]=4 10308 B13R1.119 O=CCCCCCSC1CCCC1 62a_100000139337_100000179811 [1,0,0,1,0,0|1,0,0]=3 10309 B13R1.119 O=CCCCCCSC1CCCC1 62a_100011217020_100000139337 [1,0,0,1,0,0|1,0,0]=3 10310 B13R1.119 O=CCCCCCSC1CCOC1 62a_100000139337_100000690089 [1,0,0,1,0,0|2,0,0]=4 10311 B13R1.119 O=CCCCCNCC1CCCC1 2230a_100000737975_100000139335 [1,0,0,1,0,0|1,0,0]=3 10312 B13R1.119 O=CCCCCNCC1CCOC1 2230a_100000737293_100000139335 [1,0,0,1,0,0|2,0,0]=4 10313 B13R1.119 O=CCCCCNC[C@@H]1CCCO1 2230a_100020590478_100000139335 [1,0,0,1,0,0|2,0,0]=4 10314 B13R1.119 O=CCCCCOCC1CCCC1 7a_100000742336_100000139335 [1,0,0,1,0,0|1,0,0]=3 10315 B13R1.119 O=CCCCCOCC1CCCO1 7a_100000210270_100000139335 [1,0,0,1,0,0|2,0,0]=4 10316 B13R1.119 O=CCCCCSCC1CCCC1 62a_100000139335_100000740388 [1,0,0,1,0,0|1,0,0]=3 10317 B13R1.119 O=CCCCCSCC1CCCC1 62a_100000740388_100000139335 [1,0,0,1,0,0|1,0,0]=3 10318 B13R1.119 O=CCCCCSCC1CCCO1 62a_100000139335_100000203698 [1,0,0,1,0,0|2,0,0]=4 10319 B13R1.119 O=CCCCCSCC1CCCO1 62a_100000203698_100000139335 [1,0,0,1,0,0|2,0,0]=4 10320 B13R1.119 O=CCCCCSCC1CCOC1 62a_100000139335_100000702531 [1,0,0,1,0,0|2,0,0]=4 10321 B13R1.119 O=CCCCCSCC1CCOC1 62a_100000702531_100000139335 [1,0,0,1,0,0|2,0,0]=4 10322 B13R1.119 O=CCCCNCCC1CCCC1 2230a_100000739158_200011292268 [1,0,0,1,0,0|1,0,0]=3 10323 B13R1.119 O=CCCCOCCC1CCCC1 7a_100000749090_200011292268 [1,0,0,1,0,0|1,0,0]=3 10324 B13R1.119 O=CCCCSCCC1CCCC1 62a_100000760354_200011292268 [1,0,0,1,0,0|1,0,0]=3 10325 B13R1.119 O=CCCCSCCC1CCCC1 62a_200011292268_100000760354 [1,0,0,1,0,0|1,0,0]=3 10326 B13R1.119 O=CCCCSCCN1CCCC1 62a_100000700749_200011292268 [1,0,0,1,0,0|2,0,0]=4 10327 B13R1.119 O=CCCCSCCN1CCCC1 62a_200011292268_100000004467 [1,0,0,1,0,0|2,0,0]=4 10328 B13R1.119 O=CCNCCCOC1CCCC1 34a_100000747560_200009817547 [1,0,0,1,0,0|2,0,0]=4 10329 B13R1.137 C=CCCCCN1CCCC1CC 2230a_100000754278_100011215482 [1,0,0,1,0,0|2,0,0]=4 10330 B13R1.137 C=CCCCCN1CCCC1CC 269982a_100000754278_100011215482 [1,0,0,1,0,0|2,0,0]=4 10331 B13R1.137 C=CCCCCN1CCCC1CC 34a_100000754278_100011215482 [1,0,0,1,0,0|2,0,0]=4 10332 B13R1.137 C=CCCCNC1CCCC1CC 269862a_100000700776_100000749056 [1,0,0,1,0,0|2,0,0]=4 10333 B13R1.137 C=CCCCNC1CCCC1CC 270004a_100000700776_100000749056 [1,0,0,1,0,0|2,0,0]=4 10334 B13R1.137 CCC1CCCN1CCCCC=O 2230a_100000754278_100000139335 [1,0,0,1,0,0|1,0,0]=3 10335 B13R1.137 CCC1CCCN1CCCCC=O 269982a_100000754278_100000139335 [1,0,0,1,0,0|1,0,0]=3 10336 B13R1.137 CCCCCCC1CCCC1NC 269862a_106832991636_100000189428 [1,0,0,1,0,0|2,0,0]=4 10337 B13R1.137 CCCCCCC1CCCC1NC 270004a_106832991635_100000189428 [1,0,0,1,0,0|2,0,0]=4 10338 B13R1.137 O=CCCCCN1CCC[C@@H]1CO 2230a_100000745186_100000139335 [1,0,0,1,0,0|2,0,0]=4 10339 B13R1.137 O=CCCCCN1CCC[C@@H]1CO 269982a_100000745186_100000139335 [1,0,0,1,0,0|2,0,0]=4 10340 B13R1.192 COCC1CCN1CCCCC=O 2230a_100015195929_100000139335 [1,0,0,1,0,0|2,0,0]=4 10341 B13R1.192 COCC1CCN1CCCCC=O 269982a_100015195929_100000139335 [1,0,0,1,0,0|2,0,0]=4 10342 B13R1.485 C=CCC1CCCCC1NCCC 269862a_100020643023_100011214939 [1,0,0,1,0,0|2,0,0]=4 10343 B13R1.485 C=CCC1CCCCC1NCCC 270004a_100020643023_100011214939 [1,0,0,1,0,0|2,0,0]=4 10344 B13R1.485 C=CCCN1CCCCC1CCC 2230a_100000701414_100000754431 [1,0,0,1,0,0|2,0,0]=4 10345 B13R1.485 C=CCCN1CCCCC1CCC 269982a_100000701414_100000754431 [1,0,0,1,0,0|2,0,0]=4 10346 B13R1.485 C=CCCN1CCCCC1CCC 34a_100000701414_100000754431 [1,0,0,1,0,0|2,0,0]=4 10347 B13R1.485 C=CCNC1CCCCC1CCC 270004a_100020586998_100011218038 [1,0,0,1,0,0|2,0,0]=4 10348 B13R1.485 C=CCOC1CCCCC1CCC 34a_100011217265_100015514636 [1,0,0,1,0,0|2,0,0]=4 10349 B13R1.485 C=CCOC1CCCCC1CCC 7a_100011217265_100015514636 [1,0,0,1,0,0|2,0,0]=4 10350 B13R1.485 CCCC1CCCCC1OCC=O 34a_100011217265_200009817547 [1,0,0,1,0,0|1,0,0]=3 10351 B13R1.485 CCCC1CCCCC1OCC=O 7a_100011217265_200015260668 [1,0,0,1,0,0|1,0,0]=3 10352 B13R1.485 COCCC1CCCCN1CC=O 2230a_100015186528_200015260668 [1,0,0,1,0,0|2,0,0]=4 10353 B13R1.485 COCCC1CCCCN1CC=O 269982a_100015186528_200015260668 [1,0,0,1,0,0|2,0,0]=4 10354 B13R1.485 COCCC1CCCCN1CC=O 34a_100015186528_200009817547 [1,0,0,1,0,0|2,0,0]=4 10355 B13R1.485 O=CCN1CCCCC1CCCO 2230a_100011934581_200015260668 [1,0,0,1,0,0|2,0,0]=4 10356 B13R1.485 O=CCN1CCCCC1CCCO 269982a_100011934581_200015260668 [1,0,0,1,0,0|2,0,0]=4 10357 B13R1.485 O=CCN1CCCCC1CCCO 34a_100011934581_200009817547 [1,0,0,1,0,0|2,0,0]=4 10358 B13R1.489 C=CCCN1CCCCCCCC1 2230a_100000039187_100000754431 [1,0,0,1,0,0|2,0,0]=4 10359 B13R1.489 C=CCCN1CCCCCCCC1 269982a_100000039187_100000754431 [1,0,0,1,0,0|2,0,0]=4 10360 B13R1.489 C=CCCN1CCCCCCCC1 34a_100000039187_100000754431 [1,0,0,1,0,0|2,0,0]=4 10361 B13R1.489 C=CCNC1CCCCCCCC1 270004a_100020586998_100000038600 [1,0,0,1,0,0|2,0,0]=4 10362 B13R1.555 C=CCCCCN1CCCCC1C 2230a_100000211376_100011215482 [1,0,0,1,0,0|2,0,0]=4 10363 B13R1.555 C=CCCCCN1CCCCC1C 269982a_100000211376_100011215482 [1,0,0,1,0,0|2,0,0]=4 10364 B13R1.555 C=CCCCCN1CCCCC1C 34a_100000211376_100011215482 [1,0,0,1,0,0|2,0,0]=4 10365 B13R1.555 C=CCCCNC1CCCCC1C 2230a_100000211402_100011713584 [1,0,0,1,0,0|2,0,0]=4 10366 B13R1.555 C=CCCCNC1CCCCC1C 269862a_100000700776_100000210921 [1,0,0,1,0,0|2,0,0]=4 10367 B13R1.555 C=CCCCNC1CCCCC1C 270004a_100000700776_100000210921 [1,0,0,1,0,0|2,0,0]=4 10368 B13R1.555 C=CCCCNC1CCCCC1C 34a_100000211402_100000757094 [1,0,0,1,0,0|2,0,0]=4 10369 B13R1.555 C=CCCCOC1CCCCC1C 34a_100000211207_100000757094 [1,0,0,1,0,0|2,0,0]=4 10370 B13R1.555 C=CCCCOC1CCCCC1C 7a_100000211207_100000757094 [1,0,0,1,0,0|2,0,0]=4 10371 B13R1.555 CC1CCCCC1NCCCC=O 2230a_100000211402_200011292268 [1,0,0,1,0,0|1,0,0]=3 10372 B13R1.555 CC1CCCCC1OCCCC=O 7a_100000211207_200011292268 [1,0,0,1,0,0|1,0,0]=3 10373 B13R1.555 CC1CCCCN1CCCCC=O 2230a_100000211376_100000139335 [1,0,0,1,0,0|1,0,0]=3 10374 B13R1.555 CC1CCCCN1CCCCC=O 269982a_100000211376_100000139335 [1,0,0,1,0,0|1,0,0]=3 10375 B13R1.555 CC1CCCCN1CCNCC=O 2230a_100000739827_200015260668 [1,0,0,1,0,0|2,0,0]=4 10376 B13R1.555 CC1CCCCN1CCNCC=O 34a_100000739827_200009817547 [1,0,0,1,0,0|2,0,0]=4 10377 B13R1.555 CC1CCCCN1CCOCC=O 34a_100011305533_200009817547 [1,0,0,1,0,0|2,0,0]=4 10378 B13R1.555 CCCCCNC1CCCNC1=O 2230a_100000209983_100000687798 [1,0,0,1,0,0|2,0,0]=4 10379 B13R1.555 CCCCCNC1CCCNC1=O 2230a_100000747585_100000210326 [1,0,0,1,0,0|2,0,0]=4 10380 B13R1.555 CCCCCNC1CCCNC1=O 34a_100000747585_100000718602 [1,0,0,1,0,0|2,0,0]=4 10381 B13R1.555 CCCCCOC1CCCCC1=O 34a_100000210253_100000754470 [1,0,0,1,0,0|1,0,0]=3 10382 B13R1.555 CCCCCOC1CCCCC1=O 34a_100011214950_100000718602 [1,0,0,1,0,0|1,0,0]=3 10383 B13R1.555 CCCCCOC1CCCCC1=O 7a_100000210253_100000204591 [1,0,0,1,0,0|1,0,0]=3 10384 B13R1.555 CCCCCOC1CCCCC1Cl 34a_100000038908_100000718602 [1,0,0,1,0,0|1,0,1]=4 10385 B13R1.555 CCCCCOC1CCCCC1Cl 7a_100000038908_100000210326 [1,0,0,1,0,0|1,0,1]=4 10386 B13R1.555 CCCCCOC1CCCNC1=O 34a_100000073722_100000718602 [1,0,0,1,0,0|2,0,0]=4 10387 B13R1.555 CCCCCOC1CCCNC1=O 34a_100000210253_100000687798 [1,0,0,1,0,0|2,0,0]=4 10388 B13R1.555 CCCCCOC1CCCNC1=O 7a_100000210253_100000687798 [1,0,0,1,0,0|2,0,0]=4 10389 B13R1.555 CCCCCOC1COCCC1=O 34a_100000210253_100012180262 [1,0,0,1,0,0|2,0,0]=4 10390 B13R1.555 CCCCCOC1COCCC1=O 7a_100000210253_100012180262 [1,0,0,1,0,0|2,0,0]=4 10391 B13R1.555 CCCCCSC1CCCCC1=O 62a_100000204591_100000210326 [1,0,0,1,0,0|1,0,0]=3 10392 B13R1.555 CCCCCSC1CCCCC1=O 62a_100000210326_100000204591 [1,0,0,1,0,0|1,0,0]=3 10393 B13R1.555 CCCCCSC1CCCNC1=O 62a_100000210326_100000687798 [1,0,0,1,0,0|2,0,0]=4 10394 B13R1.555 CCCCCSC1CCCNC1=O 62a_100000687798_100000210326 [1,0,0,1,0,0|2,0,0]=4 10395 B13R1.555 CCCCCSC1COCCC1=O 62a_100000210326_100012180262 [1,0,0,1,0,0|2,0,0]=4 10396 B13R1.555 CCCCCSC1COCCC1=O 62a_100012180262_100000210326 [1,0,0,1,0,0|2,0,0]=4 10397 B13R1.555 CCCCOCC1CCCCC1=O 34a_100009861125_100000210210 [1,0,0,1,0,0|1,0,0]=3 10398 B13R1.555 CCCCOCC1CCCCC1=O 7a_100009861125_100000210211 [1,0,0,1,0,0|1,0,0]=3 10399 B13R1.555 CCCNCCN1CCCCC1=O 2230a_100160573077_100000210303 [1,0,0,1,0,0|2,0,0]=4 10400 B13R1.555 CCCNCCN1CCCCC1=O 34a_100160573077_100000210303 [1,0,0,1,0,0|2,0,0]=4 10401 B13R1.555 CCOCCNC1CCCCC1=O 34a_102516460346_100000754470 [1,0,0,1,0,0|2,0,0]=4 10402 B13R1.555 CCOCCOC1CCCCC1=O 34a_100000210136_100000754470 [1,0,0,1,0,0|2,0,0]=4 10403 B13R1.555 CCOCCOC1CCCCC1=O 34a_100011214950_100000210147 [1,0,0,1,0,0|2,0,0]=4 10404 B13R1.555 CCOCCOC1CCCCC1=O 7a_100000210136_100000204591 [1,0,0,1,0,0|2,0,0]=4 10405 B13R1.555 CCOCCSC1CCCCC1=O 62a_100000204591_100011215890 [1,0,0,1,0,0|2,0,0]=4 10406 B13R1.555 CCOCCSC1CCCCC1=O 62a_100000210147_100000204591 [1,0,0,1,0,0|2,0,0]=4 10407 B13R1.555 CCSCCOC1CCCCC1=O 34a_100000212035_100000754470 [1,0,0,1,0,0|2,0,0]=4 10408 B13R1.555 CCSCCOC1CCCCC1=O 34a_100011214950_100000757381 [1,0,0,1,0,0|2,0,0]=4 10409 B13R1.555 CCSCCOC1CCCCC1=O 7a_100000212035_100000204591 [1,0,0,1,0,0|2,0,0]=4 10410 B13R1.555 CCSCCSC1CCCCC1=O 62a_100000204591_100000757381 [1,0,0,1,0,0|2,0,0]=4 10411 B13R1.555 CCSCCSC1CCCCC1=O 62a_100000757381_100000204591 [1,0,0,1,0,0|2,0,0]=4 10412 B13R1.555 CN1CCCCC1CCSCC=O 62a_100000211948_200015260668 [1,0,0,1,0,0|2,0,0]=4 10413 B13R1.555 CN1CCCCC1CCSCC=O 62a_200015260668_100000211948 [1,0,0,1,0,0|2,0,0]=4 10414 B13R1.555 CNCCCOC1CCCCC1=O 34a_100000213112_100000754470 [1,0,0,1,0,0|2,0,0]=4 10415 B13R1.555 COCCCNC1CCCCC1=O 34a_100150723488_100000754470 [1,0,0,1,0,0|2,0,0]=4 10416 B13R1.555 COCCCOC1CCCCC1=O 34a_100000740835_100000754470 [1,0,0,1,0,0|2,0,0]=4 10417 B13R1.555 COCCCOC1CCCCC1=O 34a_100011214950_100000740836 [1,0,0,1,0,0|2,0,0]=4 10418 B13R1.555 COCCCSC1CCCCC1=O 62a_100000204591_100000709357 [1,0,0,1,0,0|2,0,0]=4 10419 B13R1.555 COCCCSC1CCCCC1=O 62a_100000709357_100000204591 [1,0,0,1,0,0|2,0,0]=4 10420 B13R1.555 COCCOCC1CCCCC1=O 34a_100009861125_100011201679 [1,0,0,1,0,0|2,0,0]=4 10421 B13R1.555 COCCOCC1CCCCC1=O 7a_100009861125_100000233755 [1,0,0,1,0,0|2,0,0]=4 10422 B13R1.555 CSCCCOC1CCCCC1=O 34a_100000690336_100000754470 [1,0,0,1,0,0|2,0,0]=4 10423 B13R1.555 CSCCCOC1CCCCC1=O 7a_100000690336_100000204591 [1,0,0,1,0,0|2,0,0]=4 10424 B13R1.555 CSCCOCC1CCCCC1=O 34a_100009861125_100000212216 [1,0,0,1,0,0|2,0,0]=4 10425 B13R1.555 CSCCOCC1CCCCC1=O 7a_100009861125_100000212216 [1,0,0,1,0,0|2,0,0]=4 10426 B13R1.555 C[C@H]1COCCN1CCCCC=O 2230a_100009815349_100000139335 [1,0,0,1,0,0|2,0,0]=4 10427 B13R1.555 C[C@H]1COCCN1CCCCC=O 269982a_100009815349_100000139335 [1,0,0,1,0,0|2,0,0]=4 10428 B13R1.555 NCCCCOC1CCCCC1=O 34a_100000750430_100000754470 [1,0,0,1,0,0|2,0,0]=4 10429 B13R1.555 O=C1CCCCC1COCCCF 34a_100009861125_100011934791 [1,0,0,1,0,0|2,0,0]=4 10430 B13R1.555 O=C1CCCCC1COCCCF 7a_100009861125_100011934791 [1,0,0,1,0,0|2,0,0]=4 10431 B13R1.555 O=C1CCCCC1COCCCO 34a_100009861125_100000230001 [1,0,0,1,0,0|2,0,0]=4 10432 B13R1.555 O=C1CCCCC1COCCCO 7a_100009861125_100011215043 [1,0,0,1,0,0|2,0,0]=4 10433 B13R1.555 O=C1CCCCC1NCCCCO 34a_100000750430_100000754470 [1,0,0,1,0,0|2,0,0]=4 10434 B13R1.555 O=C1CCCCC1OCCCCBr 34a_100011216708_100000754470 [1,0,0,1,0,0|2,0,0]=4 10435 B13R1.555 O=C1CCCCC1OCCCCCl 34a_100000210776_100000754470 [1,0,0,1,0,0|2,0,0]=4 10436 B13R1.555 O=C1CCCCC1OCCCCCl 7a_100000210776_100000204591 [1,0,0,1,0,0|2,0,0]=4 10437 B13R1.555 O=C1CCCCC1OCCCCF 34a_100011214950_100000729493 [1,0,0,1,0,0|2,0,0]=4 10438 B13R1.555 O=C1CCCCC1OCCCCF 34a_100011995726_100000754470 [1,0,0,1,0,0|2,0,0]=4 10439 B13R1.555 O=C1CCCCC1OCCCCF 7a_100011995726_100000204591 [1,0,0,1,0,0|2,0,0]=4 10440 B13R1.555 O=C1CCCCC1OCCCCI 34a_200012148704_100000754470 [1,0,0,1,0,0|2,0,0]=4 10441 B13R1.555 O=C1CCCCC1OCCCCO 34a_100011214950_100011216708 [1,0,0,1,0,0|2,0,0]=4 10442 B13R1.555 O=C1CCCCC1SCCCCF 62a_100000204591_100000729493 [1,0,0,1,0,0|2,0,0]=4 10443 B13R1.555 O=C1CCCCC1SCCCCF 62a_100000729493_100000204591 [1,0,0,1,0,0|2,0,0]=4 10444 B13R1.555 O=C1CCCCC1SCCCCO 62a_100000204591_100000210776 [1,0,0,1,0,0|2,0,0]=4 10445 B13R1.555 O=C1CCCCC1SCCCCO 62a_100000210776_100000204591 [1,0,0,1,0,0|2,0,0]=4 10446 B13R1.555 O=CCCCN[C@@H]1CCCC[C@H]1F 2230a_100015195156_200011292268 [1,0,0,1,0,0|2,0,0]=4 10447 B13R1.555 O=CCCCOC1CCCCC1Cl 7a_100000038908_200011292268 [1,0,0,1,0,0|2,0,0]=4 10448 B13R1.555 O=CCCCO[C@@H]1CCCC[C@H]1F 7a_100009816020_200011292268 [1,0,0,1,0,0|2,0,0]=4 10449 B13R1.555 O=CCCCSC1CCCCC1F 62a_100015423560_200011292268 [1,0,0,1,0,0|2,0,0]=4 10450 B13R1.555 O=CCCCSC1CCCCC1F 62a_200011292268_100015423560 [1,0,0,1,0,0|2,0,0]=4 10451 B13R1.555 O=CCCCSC1CCCCC1O 62a_100000038908_200011292268 [1,0,0,1,0,0|2,0,0]=4 10452 B13R1.555 O=CCCCSC1CCCCC1O 62a_200011292268_100000038908 [1,0,0,1,0,0|2,0,0]=4 10453 B13R1.559 C=CCCCCCOCC1CC1C 34a_100000744939_100000700193 [1,0,0,1,0,0|2,0,0]=4 10454 B13R1.559 C=CCCCCCOCC1CC1C 7a_100000744939_100000700193 [1,0,0,1,0,0|2,0,0]=4 10455 B13R1.559 CC1CC1COCCCCCC=O 7a_100000744939_100000139337 [1,0,0,1,0,0|1,0,0]=3 10456 B13R1.560 C=CCCCCCCCN1CCC1 269982a_100000754969_100012355270 [1,0,0,1,0,0|2,0,0]=4 10457 B13R1.560 C=CCCCCCCNC1CCC1 2230a_100000749019_100011215473 [1,0,0,1,0,0|2,0,0]=4 10458 B13R1.560 C=CCCCCCCNC1CCC1 34a_100000749019_100011215473 [1,0,0,1,0,0|2,0,0]=4 10459 B13R1.560 C=CCCCCCCOC1CCC1 34a_100000748187_100011215473 [1,0,0,1,0,0|2,0,0]=4 10460 B13R1.560 C=CCCCCCCOC1CCC1 34a_200011216477_100000749161 [1,0,0,1,0,0|2,0,0]=4 10461 B13R1.560 C=CCCCCCCSC1CCC1 62a_100011215473_100000749161 [1,0,0,1,0,0|2,0,0]=4 10462 B13R1.560 C=CCCCCCNCC1CCC1 2230a_100000738700_100000700193 [1,0,0,1,0,0|2,0,0]=4 10463 B13R1.560 C=CCCCCCNCC1CCC1 34a_100000738700_100000700193 [1,0,0,1,0,0|2,0,0]=4 10464 B13R1.560 C=CCCCCCOCC1CCC1 34a_100000760304_100000700193 [1,0,0,1,0,0|2,0,0]=4 10465 B13R1.560 C=CCCCCCOCC1CCC1 34a_100011216702_100000763275 [1,0,0,1,0,0|2,0,0]=4 10466 B13R1.560 C=CCCCCCOCC1CCC1 7a_100011216702_100000763275 [1,0,0,1,0,0|2,0,0]=4 10467 B13R1.560 C=CCCCCCSCC1CCC1 62a_100000700193_100000763275 [1,0,0,1,0,0|2,0,0]=4 10468 B13R1.560 C=CCCCCCSCC1CCC1 62a_100000763275_100000700193 [1,0,0,1,0,0|2,0,0]=4 10469 B13R1.560 ClCCCCCCOCC1CCC1 34a_100000766143_100000763275 [1,0,0,1,0,0|1,0,1]=4 10470 B13R1.560 ClCCCCCCOCC1CCC1 7a_100000766143_100000763275 [1,0,0,1,0,0|1,0,1]=4 10471 B13R1.560 O=CCCCCCNCC1CCC1 2230a_100000738700_100000139337 [1,0,0,1,0,0|1,0,0]=3 10472 B13R1.560 O=CCCCCCNCC1COC1 2230a_100015281925_100000139337 [1,0,0,1,0,0|2,0,0]=4 10473 B13R1.560 O=CCCCCCNC[C@@H]1CCO1 2230a_100020831831_100000139337 [1,0,0,1,0,0|2,0,0]=4 10474 B13R1.560 O=CCCCCCSCC1CCC1 62a_100000139337_100000763275 [1,0,0,1,0,0|1,0,0]=3 10475 B13R1.560 O=CCCCCCSCC1CCC1 62a_100000763275_100000139337 [1,0,0,1,0,0|1,0,0]=3 10476 B13R1.560 O=CCCCCCSCC1CCO1 62a_100000103362_100000139337 [1,0,0,1,0,0|2,0,0]=4 10477 B13R1.560 O=CCCCCCSCC1CCO1 62a_100000139337_100000103362 [1,0,0,1,0,0|2,0,0]=4 10478 B13R1.560 O=CCCCCCSCC1COC1 62a_100000139337_100010264016 [1,0,0,1,0,0|2,0,0]=4 10479 B13R1.560 O=CCCCCCSCC1COC1 62a_100010264016_100000139337 [1,0,0,1,0,0|2,0,0]=4 10480 B13R1.579 C=CCNC1CCCC1CCCC 270004a_100020586998_100000750825 [1,0,0,1,0,0|2,0,0]=4 10481 B13R1.654 C=CCCCCCN1CCC[C@@H]1C 2230a_100020605311_100000700193 [1,0,0,1,0,0|2,0,0]=4 10482 B13R1.654 C=CCCCCCN1CCC[C@@H]1C 269982a_100020605311_100000700193 [1,0,0,1,0,0|2,0,0]=4 10483 B13R1.654 C=CCCCCCN1CCC[C@H]1C 2230a_100015189458_100000700193 [1,0,0,1,0,0|2,0,0]=4 10484 B13R1.654 C=CCCCCCN1CCC[C@H]1C 269982a_100015189458_100000700193 [1,0,0,1,0,0|2,0,0]=4 10485 B13R1.654 C=CCCCCCN1CCC[C@H]1C 34a_100015189458_100000700193 [1,0,0,1,0,0|2,0,0]=4 10486 B13R1.654 C=CCCCCNC1CCCC1C 269862a_100000703577_100000752053 [1,0,0,1,0,0|2,0,0]=4 10487 B13R1.654 C=CCCCCOC1CCCC1C 34a_100011216460_100011215482 [1,0,0,1,0,0|2,0,0]=4 10488 B13R1.654 C=CCCCCOC1CCCC1C 7a_100011216460_100011215482 [1,0,0,1,0,0|2,0,0]=4 10489 B13R1.654 CC1CCCC1OCCCCC=O 7a_100011216460_100000139335 [1,0,0,1,0,0|1,0,0]=3 10490 B13R1.654 CC1SCCN1CCCCCC=O 2230a_200011216479_100000139337 [1,0,0,1,0,0|2,0,0]=4 10491 B13R1.654 CC1SCCN1CCCCCC=O 269982a_200011216479_100000139337 [1,0,0,1,0,0|2,0,0]=4 10492 B13R1.654 CCCCCCNC1CCCC1=O 2230a_100000210581_100000211823 [1,0,0,1,0,0|1,0,0]=3 10493 B13R1.654 CCCCCCNC1CCNC1=O 2230a_100016995588_100000210314 [1,0,0,1,0,0|2,0,0]=4 10494 B13R1.654 CCCCCCNC1CCNC1=O 34a_100016995588_100000210314 [1,0,0,1,0,0|2,0,0]=4 10495 B13R1.654 CCCCCCNC1CCOC1=O 2230a_100000210581_100000211211 [1,0,0,1,0,0|2,0,0]=4 10496 B13R1.654 CCCCCCOC1CCCC1=O 34a_100000210259_100000709159 [1,0,0,1,0,0|1,0,0]=3 10497 B13R1.654 CCCCCCOC1CCCC1=O 34a_200000719330_100000210314 [1,0,0,1,0,0|1,0,0]=3 10498 B13R1.654 CCCCCCOC1CCCC1=O 7a_100000210259_100000211823 [1,0,0,1,0,0|1,0,0]=3 10499 B13R1.654 CCCCCCOC1CCOC1=O 34a_100000210259_100000211211 [1,0,0,1,0,0|2,0,0]=4 10500 B13R1.654 CCCCCCOC1CCOC1=O 7a_100000210259_100000211211 [1,0,0,1,0,0|2,0,0]=4 10501 B13R1.654 CCCCCCO[C@@H]1CCC[C@H]1Cl 34a_200016002552_100000210314 [1,0,0,1,0,0|1,0,1]=4 10502 B13R1.654 CCCCCCO[C@H]1CCNC1=O 34a_100000688343_100000210314 [1,0,0,1,0,0|2,0,0]=4 10503 B13R1.654 CCCCCCSC1CCCC1=O 62a_100000210314_100000211823 [1,0,0,1,0,0|1,0,0]=3 10504 B13R1.654 CCCCCCSC1CCCC1=O 62a_100000211823_100000210757 [1,0,0,1,0,0|1,0,0]=3 10505 B13R1.654 CCCCCCSC1CCOC1=O 62a_100000210314_100000211211 [1,0,0,1,0,0|2,0,0]=4 10506 B13R1.654 CCCCCCSC1CCOC1=O 62a_100000211211_100000210757 [1,0,0,1,0,0|2,0,0]=4 10507 B13R1.654 CCCCCOCC1CCNC1=O 34a_100000133458_100000718602 [1,0,0,1,0,0|2,0,0]=4 10508 B13R1.654 CCCCCSCN1CCCC1=O 62a_100000026320_100000210326 [1,0,0,1,0,0|2,0,0]=4 10509 B13R1.654 CCCCCSCN1CCCC1=O 62a_100000210326_100000026320 [1,0,0,1,0,0|2,0,0]=4 10510 B13R1.654 CCCCNCCN1CCCC1=O 2230a_100000102301_100000739059 [1,0,0,1,0,0|2,0,0]=4 10511 B13R1.654 CCCCNCCN1CCCC1=O 2230a_100011200922_100000210211 [1,0,0,1,0,0|2,0,0]=4 10512 B13R1.654 CCCCNCCN1CCCC1=O 7a_106832991798_100000739059 [1,0,0,1,0,0|2,0,0]=4 10513 B13R1.654 CCCCOCCN1CCCC1=O 34a_100000210227_100000739059 [1,0,0,1,0,0|2,0,0]=4 10514 B13R1.654 CCCCOCCN1CCCC1=O 34a_100000211209_100000210210 [1,0,0,1,0,0|2,0,0]=4 10515 B13R1.654 CCCCOCCN1CCCC1=O 7a_100000210227_100000739059 [1,0,0,1,0,0|2,0,0]=4 10516 B13R1.654 CCCCOCCN1CCCC1=O 7a_100000211209_100000210211 [1,0,0,1,0,0|2,0,0]=4 10517 B13R1.654 CCCCOCOC1CCCC1=O 34a_200000719330_100011995733 [1,0,0,1,0,0|2,0,0]=4 10518 B13R1.654 CCCCOCSC1CCCC1=O 62a_100000211823_100011995733 [1,0,0,1,0,0|2,0,0]=4 10519 B13R1.654 CCCCOCSC1CCCC1=O 62a_100011995733_100000211823 [1,0,0,1,0,0|2,0,0]=4 10520 B13R1.654 CCCCSCCN1CCCC1=O 62a_100000210211_100000739059 [1,0,0,1,0,0|2,0,0]=4 10521 B13R1.654 CCCCSCCN1CCCC1=O 62a_100000739059_100000210210 [1,0,0,1,0,0|2,0,0]=4 10522 B13R1.654 CCCNCCCN1CCCC1=O 2230a_100000210347_100000210303 [1,0,0,1,0,0|2,0,0]=4 10523 B13R1.654 CCCNCCCN1CCCC1=O 34a_100000210347_100000210303 [1,0,0,1,0,0|2,0,0]=4 10524 B13R1.654 CCCOCCCN1CCCC1=O 34a_100011216539_100000210303 [1,0,0,1,0,0|2,0,0]=4 10525 B13R1.654 CCCOCCCN1CCCC1=O 7a_100011216539_100000210303 [1,0,0,1,0,0|2,0,0]=4 10526 B13R1.654 CCCOCCNC1CCCC1=O 2230a_100161115042_100000211823 [1,0,0,1,0,0|2,0,0]=4 10527 B13R1.654 CCCOCCNC1CCCC1=O 34a_100161115042_100000709159 [1,0,0,1,0,0|2,0,0]=4 10528 B13R1.654 CCCOCCOC1CCCC1=O 34a_100000752267_100000709159 [1,0,0,1,0,0|2,0,0]=4 10529 B13R1.654 CCCOCCOC1CCCC1=O 34a_200000719330_100011215938 [1,0,0,1,0,0|2,0,0]=4 10530 B13R1.654 CCCOCCOC1CCCC1=O 7a_100000752267_100000211823 [1,0,0,1,0,0|2,0,0]=4 10531 B13R1.654 CCCOCCSC1CCCC1=O 62a_100000211823_100011215938 [1,0,0,1,0,0|2,0,0]=4 10532 B13R1.654 CCCOCCSC1CCCC1=O 62a_100011215938_100000211823 [1,0,0,1,0,0|2,0,0]=4 10533 B13R1.654 CCCSCCNC1CCCC1=O 2230a_100020603323_100000211823 [1,0,0,1,0,0|2,0,0]=4 10534 B13R1.654 CCCSCCOC1CCCC1=O 34a_200000230433_100000709159 [1,0,0,1,0,0|2,0,0]=4 10535 B13R1.654 CCCSCCOC1CCCC1=O 7a_200000230433_100000211823 [1,0,0,1,0,0|2,0,0]=4 10536 B13R1.654 CCOCCCNC1CCCC1=O 2230a_100000210961_100000211823 [1,0,0,1,0,0|2,0,0]=4 10537 B13R1.654 CCOCCCNC1CCCC1=O 34a_100000210961_100000709159 [1,0,0,1,0,0|2,0,0]=4 10538 B13R1.654 CCOCCCOC1CCCC1=O 34a_100000757476_100000709159 [1,0,0,1,0,0|2,0,0]=4 10539 B13R1.654 CCOCCCOC1CCCC1=O 34a_200000719330_100012232248 [1,0,0,1,0,0|2,0,0]=4 10540 B13R1.654 CCOCCCOC1CCCC1=O 7a_100000757476_100000211823 [1,0,0,1,0,0|2,0,0]=4 10541 B13R1.654 CCOCCCSC1CCCC1=O 62a_100000211823_100012232248 [1,0,0,1,0,0|2,0,0]=4 10542 B13R1.654 CCOCCCSC1CCCC1=O 62a_100012232248_100000211823 [1,0,0,1,0,0|2,0,0]=4 10543 B13R1.654 CCSCCCOC1CCCC1=O 34a_100011216438_100000709159 [1,0,0,1,0,0|2,0,0]=4 10544 B13R1.654 CCSCCCOC1CCCC1=O 7a_100011216438_100000211823 [1,0,0,1,0,0|2,0,0]=4 10545 B13R1.654 COCCCCOC1CCCC1=O 34a_100000740925_100000709159 [1,0,0,1,0,0|2,0,0]=4 10546 B13R1.654 COCCCCOC1CCCC1=O 34a_200000719330_100000755781 [1,0,0,1,0,0|2,0,0]=4 10547 B13R1.654 COCCCCSC1CCCC1=O 62a_100000211823_100000730899 [1,0,0,1,0,0|2,0,0]=4 10548 B13R1.654 COCCCCSC1CCCC1=O 62a_100000730899_100000211823 [1,0,0,1,0,0|2,0,0]=4 10549 B13R1.654 CSCCCCOC1CCCC1=O 34a_100011217163_100000709159 [1,0,0,1,0,0|2,0,0]=4 10550 B13R1.654 CSCCCCOC1CCCC1=O 7a_100011217163_100000211823 [1,0,0,1,0,0|2,0,0]=4 10551 B13R1.654 C[C@@H]1CCCN1CCCCCC=O 2230a_100015189458_100000139337 [1,0,0,1,0,0|1,0,0]=3 10552 B13R1.654 C[C@@H]1CCCN1CCCCCC=O 269982a_100015189458_100000139337 [1,0,0,1,0,0|1,0,0]=3 10553 B13R1.654 C[C@H]1CCCN1CCCCCC=O 2230a_100020605311_100000139337 [1,0,0,1,0,0|1,0,0]=3 10554 B13R1.654 C[C@H]1CCCN1CCCCCC=O 269982a_100020605311_100000139337 [1,0,0,1,0,0|1,0,0]=3 10555 B13R1.654 NCCCCCOC1CCCC1=O 34a_100000762737_100000709159 [1,0,0,1,0,0|2,0,0]=4 10556 B13R1.654 O=C1CCCC1NCCCCCO 2230a_100000762737_100000211823 [1,0,0,1,0,0|2,0,0]=4 10557 B13R1.654 O=C1CCCC1NCCCCCO 34a_100000762737_100000709159 [1,0,0,1,0,0|2,0,0]=4 10558 B13R1.654 O=C1CCCC1OCCCCCBr 34a_100000746331_100000709159 [1,0,0,1,0,0|2,0,0]=4 10559 B13R1.654 O=C1CCCC1OCCCCCBr 7a_100000746331_100000211823 [1,0,0,1,0,0|2,0,0]=4 10560 B13R1.654 O=C1CCCC1OCCCCCCl 34a_100000746330_100000709159 [1,0,0,1,0,0|2,0,0]=4 10561 B13R1.654 O=C1CCCC1OCCCCCCl 7a_100000746330_100000211823 [1,0,0,1,0,0|2,0,0]=4 10562 B13R1.654 O=C1CCCC1OCCCCCF 34a_200000719330_100000729378 [1,0,0,1,0,0|2,0,0]=4 10563 B13R1.654 O=C1CCCC1OCCCCCI 34a_200012148887_100000709159 [1,0,0,1,0,0|2,0,0]=4 10564 B13R1.654 O=C1CCCC1OCCCCCI 7a_200012148887_100000211823 [1,0,0,1,0,0|2,0,0]=4 10565 B13R1.654 O=C1CCCC1OCCCCCO 34a_200000719330_100000746330 [1,0,0,1,0,0|2,0,0]=4 10566 B13R1.654 O=C1CCCC1SCCCCCF 62a_100000211823_100000729378 [1,0,0,1,0,0|2,0,0]=4 10567 B13R1.654 O=C1CCCC1SCCCCCF 62a_100000729378_100000211823 [1,0,0,1,0,0|2,0,0]=4 10568 B13R1.654 O=C1CCCC1SCCCCCO 62a_100000211823_100000746330 [1,0,0,1,0,0|2,0,0]=4 10569 B13R1.654 O=C1CCCC1SCCCCCO 62a_100000746330_100000211823 [1,0,0,1,0,0|2,0,0]=4 10570 B13R1.654 O=CCCCCS[C@@H]1CCC[C@H]1O 62a_100000139335_200016002552 [1,0,0,1,0,0|2,0,0]=4 10571 B13R1.654 O=CCCCCS[C@@H]1CCC[C@H]1O 62a_200016002552_100000139335 [1,0,0,1,0,0|2,0,0]=4 10572 B13R1.659 C=CCCCCCCCNC1CC1 34a_100000212008_100012355270 [1,0,0,1,0,0|2,0,0]=4 10573 B13R1.659 C=CCCCCCCCOC1CC1 34a_100000730831_100000211595 [1,0,0,1,0,0|2,0,0]=4 10574 B13R1.659 C=CCCCCCCCSC1CC1 62a_100012355270_100000211595 [1,0,0,1,0,0|2,0,0]=4 10575 B13R1.659 C=CCCCCCCNCC1CC1 2230a_100000735609_100011215473 [1,0,0,1,0,0|2,0,0]=4 10576 B13R1.659 C=CCCCCCCNCC1CC1 34a_100000735609_100011215473 [1,0,0,1,0,0|2,0,0]=4 10577 B13R1.659 C=CCCCCCCOCC1CC1 34a_100000211283_100011215473 [1,0,0,1,0,0|2,0,0]=4 10578 B13R1.659 C=CCCCCCCOCC1CC1 34a_200011216477_100000742324 [1,0,0,1,0,0|2,0,0]=4 10579 B13R1.659 C=CCCCCCCOCC1CC1 7a_200011216477_100000742324 [1,0,0,1,0,0|2,0,0]=4 10580 B13R1.659 C=CCCCCCCSCC1CC1 62a_100000756562_100011215473 [1,0,0,1,0,0|2,0,0]=4 10581 B13R1.659 C=CCCCCCCSCC1CC1 62a_100011215473_100000742324 [1,0,0,1,0,0|2,0,0]=4 10582 B13R1.659 C=CCCCCCNCCC1CC1 34a_100000764129_100000700193 [1,0,0,1,0,0|2,0,0]=4 10583 B13R1.659 C=CCCCCCOCCC1CC1 34a_100000754188_100000700193 [1,0,0,1,0,0|2,0,0]=4 10584 B13R1.659 C=CCCCCCOCCC1CC1 34a_100011216702_100000694398 [1,0,0,1,0,0|2,0,0]=4 10585 B13R1.659 C=CCCCCCOCCC1CC1 7a_100000754188_100000700193 [1,0,0,1,0,0|2,0,0]=4 10586 B13R1.659 C=CCCCCCOCCC1CC1 7a_100011216702_100000764125 [1,0,0,1,0,0|2,0,0]=4 10587 B13R1.659 C=CCCCCCSCCC1CC1 62a_100000700193_100000764125 [1,0,0,1,0,0|2,0,0]=4 10588 B13R1.659 C=CCCCCCSCCC1CC1 62a_100000764125_100000700193 [1,0,0,1,0,0|2,0,0]=4 10589 B13R1.659 ClCCCCCCCCOC1CC1 34a_100000033203_100000211595 [1,0,0,1,0,0|1,0,1]=4 10590 B13R1.659 ClCCCCCCOCCC1CC1 34a_100000766143_100000694398 [1,0,0,1,0,0|1,0,1]=4 10591 B13R1.659 ClCCCCCCOCCC1CC1 7a_100000766143_100000764125 [1,0,0,1,0,0|1,0,1]=4 10592 B13R1.659 O=CCCCCCOCCC1CC1 7a_100000754188_100000139337 [1,0,0,1,0,0|1,0,0]=3 10593 B13R1.659 O=CCCCCCSCCC1CC1 62a_100000139337_100000764125 [1,0,0,1,0,0|1,0,0]=3 10594 B13R1.659 O=CCCCCCSCCC1CC1 62a_100000764125_100000139337 [1,0,0,1,0,0|1,0,0]=3 10595 B13R1.659 O=CCCCCCSCCC1CO1 62a_100000139337_100000732470 [1,0,0,1,0,0|2,0,0]=4 10596 B13R1.659 O=CCCCCCSCCC1CO1 62a_100000732470_100000139337 [1,0,0,1,0,0|2,0,0]=4 10597 B13R1.659 O=CCCCCSCCCC1CO1 62a_100000139335_100000733510 [1,0,0,1,0,0|2,0,0]=4 10598 B13R1.659 O=CCCCCSCCCC1CO1 62a_100000733510_100000139335 [1,0,0,1,0,0|2,0,0]=4 10599 B13R1.667 C=CCCCCCCN1CCC1C 269982a_100000755817_100011215473 [1,0,0,1,0,0|2,0,0]=4 10600 B13R1.667 C=CCCCCCCN1CCC1C 34a_100000755817_100011215473 [1,0,0,1,0,0|2,0,0]=4 10601 B13R1.667 CCCCCCCOC1CCC1=O 34a_100000210272_100009892977 [1,0,0,1,0,0|1,0,0]=3 10602 B13R1.667 CCCCCCCOC1CCC1=O 7a_100000210272_100009892977 [1,0,0,1,0,0|1,0,0]=3 10603 B13R1.667 CCCCCCCSC1CCC1=O 62a_100000210614_100009892977 [1,0,0,1,0,0|1,0,0]=3 10604 B13R1.667 CCCCCCCSC1CCC1=O 62a_100009892977_100000210316 [1,0,0,1,0,0|1,0,0]=3 10605 B13R1.667 CCCCCNCCC1CCC1=O 2230a_100000209983_200016118888 [1,0,0,1,0,0|1,0,0]=3 10606 B13R1.667 CCCCCOCCC1CCC1=O 7a_100000210253_200016118888 [1,0,0,1,0,0|1,0,0]=3 10607 B13R1.667 CCCCCSCCC1CCC1=O 62a_100000210326_200016118888 [1,0,0,1,0,0|1,0,0]=3 10608 B13R1.667 CCCCCSCCC1CCC1=O 62a_200016118888_100000210326 [1,0,0,1,0,0|1,0,0]=3 10609 B13R1.667 CCCCOCCOC1CCC1=O 34a_100000210238_100009892977 [1,0,0,1,0,0|2,0,0]=4 10610 B13R1.667 CCCCOCCOC1CCC1=O 7a_100000210238_100009892977 [1,0,0,1,0,0|2,0,0]=4 10611 B13R1.667 CCCCOCCSC1CCC1=O 62a_100000743108_100009892977 [1,0,0,1,0,0|2,0,0]=4 10612 B13R1.667 CCCCOCCSC1CCC1=O 62a_100009892977_100000743108 [1,0,0,1,0,0|2,0,0]=4 10613 B13R1.667 CCCCSCCOC1CCC1=O 34a_200000230436_100009892977 [1,0,0,1,0,0|2,0,0]=4 10614 B13R1.667 CCCCSCCOC1CCC1=O 7a_200000230436_100009892977 [1,0,0,1,0,0|2,0,0]=4 10615 B13R1.667 CCCOCCCNC1CCC1=O 34a_100011217757_100009892977 [1,0,0,1,0,0|2,0,0]=4 10616 B13R1.667 CCOCCNCCC1CCC1=O 2230a_102516460346_200016118888 [1,0,0,1,0,0|2,0,0]=4 10617 B13R1.667 CCOCCOCCC1CCC1=O 7a_100000210136_200016118888 [1,0,0,1,0,0|2,0,0]=4 10618 B13R1.667 CCOCCSCCC1CCC1=O 62a_100000210147_200016118888 [1,0,0,1,0,0|2,0,0]=4 10619 B13R1.667 CCOCCSCCC1CCC1=O 62a_200016118888_100011215890 [1,0,0,1,0,0|2,0,0]=4 10620 B13R1.667 CCSCCNCCC1CCC1=O 2230a_100000106463_200016118888 [1,0,0,1,0,0|2,0,0]=4 10621 B13R1.667 CCSCCOCCC1CCC1=O 7a_100000212035_200016118888 [1,0,0,1,0,0|2,0,0]=4 10622 B13R1.667 CCSCCSCCC1CCC1=O 62a_100000757381_200016118888 [1,0,0,1,0,0|2,0,0]=4 10623 B13R1.667 CCSCCSCCC1CCC1=O 62a_200016118888_100000757381 [1,0,0,1,0,0|2,0,0]=4 10624 B13R1.667 CNCCCCCOC1CCC1=O 34a_100000722520_100009892977 [1,0,0,1,0,0|2,0,0]=4 10625 B13R1.667 COCCCCCNC1CCC1=O 34a_100000747528_100009892977 [1,0,0,1,0,0|2,0,0]=4 10626 B13R1.667 COCCCSCCC1CCC1=O 62a_100000709357_200016118888 [1,0,0,1,0,0|2,0,0]=4 10627 B13R1.667 COCCCSCCC1CCC1=O 62a_200016118888_100000709357 [1,0,0,1,0,0|2,0,0]=4 10628 B13R1.667 CSCCCNCCC1CCC1=O 2230a_100000749238_200016118888 [1,0,0,1,0,0|2,0,0]=4 10629 B13R1.667 CSCCCOCCC1CCC1=O 7a_100000690336_200016118888 [1,0,0,1,0,0|2,0,0]=4 10630 B13R1.667 NCCCCCCOC1CCC1=O 34a_100000686447_100009892977 [1,0,0,1,0,0|2,0,0]=4 10631 B13R1.667 O=C1CCC1CCNCCCCO 2230a_100000750430_200016118888 [1,0,0,1,0,0|2,0,0]=4 10632 B13R1.667 O=C1CCC1CCOCCCCCl 7a_100000210776_200016118888 [1,0,0,1,0,0|2,0,0]=4 10633 B13R1.667 O=C1CCC1CCOCCCCF 7a_100011995726_200016118888 [1,0,0,1,0,0|2,0,0]=4 10634 B13R1.667 O=C1CCC1CCSCCCCF 62a_100000729493_200016118888 [1,0,0,1,0,0|2,0,0]=4 10635 B13R1.667 O=C1CCC1CCSCCCCF 62a_200016118888_100000729493 [1,0,0,1,0,0|2,0,0]=4 10636 B13R1.667 O=C1CCC1CCSCCCCO 62a_100000210776_200016118888 [1,0,0,1,0,0|2,0,0]=4 10637 B13R1.667 O=C1CCC1CCSCCCCO 62a_200016118888_100000210776 [1,0,0,1,0,0|2,0,0]=4 10638 B13R1.667 O=C1CCC1NCCCCCCO 34a_100000686447_100009892977 [1,0,0,1,0,0|2,0,0]=4 10639 B13R1.667 O=C1CCC1OCCCCCCBr 34a_100011215345_100009892977 [1,0,0,1,0,0|2,0,0]=4 10640 B13R1.667 O=C1CCC1OCCCCCCBr 7a_100011215345_100009892977 [1,0,0,1,0,0|2,0,0]=4 10641 B13R1.667 O=C1CCC1OCCCCCCCl 34a_100000766143_100009892977 [1,0,0,1,0,0|2,0,0]=4 10642 B13R1.667 O=C1CCC1OCCCCCCCl 7a_100000766143_100009892977 [1,0,0,1,0,0|2,0,0]=4 10643 B13R1.667 O=C1CCC1OCCCCCCF 34a_100000732779_100009892977 [1,0,0,1,0,0|2,0,0]=4 10644 B13R1.667 O=C1CCC1OCCCCCCF 7a_100000732779_100009892977 [1,0,0,1,0,0|2,0,0]=4 10645 B13R1.667 O=C1CCC1SCCCCCCF 62a_100009892977_100015922095 [1,0,0,1,0,0|2,0,0]=4 10646 B13R1.667 O=C1CCC1SCCCCCCF 62a_100015922095_100009892977 [1,0,0,1,0,0|2,0,0]=4 10647 B13R1.667 O=C1CCC1SCCCCCCO 62a_100000766143_100009892977 [1,0,0,1,0,0|2,0,0]=4 10648 B13R1.667 O=C1CCC1SCCCCCCO 62a_100009892977_100000766143 [1,0,0,1,0,0|2,0,0]=4 10649 B13R1.671 C=CCCNC1CCCC1CCC 269862a_100015191253_100000723119 [1,0,0,1,0,0|2,0,0]=4 10650 B13R1.671 C=CCCNC1CCCC1CCC 270004a_100015191253_100000723119 [1,0,0,1,0,0|2,0,0]=4 10651 B13R1.671 CCCN1CCCC1COCC=O 34a_200000694710_200009817547 [1,0,0,1,0,0|2,0,0]=4 10652 B13R1.671 CCCN1CCCC1COCC=O 7a_200000694710_200015260668 [1,0,0,1,0,0|2,0,0]=4 10653 B13R1.671 COC[C@@H]1CCCN1CCCC=O 2230a_100020646714_200011292268 [1,0,0,1,0,0|2,0,0]=4 10654 B13R1.671 COC[C@@H]1CCCN1CCCC=O 269982a_100020646714_200011292268 [1,0,0,1,0,0|2,0,0]=4 10655 B13R1.1150 C=CCCCN1CCCCCCC1 2230a_100000211400_100011713584 [1,0,0,1,0,0|2,0,0]=4 10656 B13R1.1150 C=CCCCN1CCCCCCC1 269982a_100000211400_100000757094 [1,0,0,1,0,0|2,0,0]=4 10657 B13R1.1150 C=CCCCN1CCCCCCC1 34a_100000211400_100000757094 [1,0,0,1,0,0|2,0,0]=4 10658 B13R1.1150 C=CCCNC1CCCCCCC1 2230a_100000211152_100000754431 [1,0,0,1,0,0|2,0,0]=4 10659 B13R1.1150 C=CCCNC1CCCCCCC1 270004a_100015191253_100000210524 [1,0,0,1,0,0|2,0,0]=4 10660 B13R1.1150 C=CCCNC1CCCCCCC1 34a_100000211152_100000754431 [1,0,0,1,0,0|2,0,0]=4 10661 B13R1.1150 C=CCCOC1CCCCCCC1 34a_100000210054_100000754431 [1,0,0,1,0,0|2,0,0]=4 10662 B13R1.1150 C=CCCOC1CCCCCCC1 7a_100000210054_100000754431 [1,0,0,1,0,0|2,0,0]=4 10663 B13R1.1150 C=CCOCC1CCCCCCC1 34a_100011216312_100015514636 [1,0,0,1,0,0|2,0,0]=4 10664 B13R1.1150 C=CCOCC1CCCCCCC1 7a_100011216312_100015514636 [1,0,0,1,0,0|2,0,0]=4 10665 B13R1.1150 CCCCOC1C=CCCCCC1 34a_100000688657_100000210210 [1,0,0,1,0,0|2,0,0]=4 10666 B13R1.1150 O=CCCCN1CCCCCCC1 2230a_100000211400_200011292268 [1,0,0,1,0,0|1,0,0]=3 10667 B13R1.1150 O=CCCCN1CCCCCCC1 269982a_100000211400_200011292268 [1,0,0,1,0,0|1,0,0]=3 10668 B13R1.1150 O=CCOCC1CCCCCCC1 34a_100011216312_200009817547 [1,0,0,1,0,0|1,0,0]=3 10669 B13R1.1150 O=CCOCC1CCCCCCC1 7a_100011216312_200015260668 [1,0,0,1,0,0|1,0,0]=3 10670 B13R1.1887 C=CCCCCN1CCCCCC1 2230a_100000185865_100011215482 [1,0,0,1,0,0|2,0,0]=4 10671 B13R1.1887 C=CCCCCN1CCCCCC1 269982a_100000185865_100011215482 [1,0,0,1,0,0|2,0,0]=4 10672 B13R1.1887 C=CCCCCN1CCCCCC1 34a_100000185865_100011215482 [1,0,0,1,0,0|2,0,0]=4 10673 B13R1.1887 C=CCCCNC1CCCCCC1 2230a_100000210984_100011713584 [1,0,0,1,0,0|2,0,0]=4 10674 B13R1.1887 C=CCCCNC1CCCCCC1 270004a_100000700776_100000210131 [1,0,0,1,0,0|2,0,0]=4 10675 B13R1.1887 C=CCCCNC1CCCCCC1 34a_100000210984_100000757094 [1,0,0,1,0,0|2,0,0]=4 10676 B13R1.1887 C=CCCCNC1CCCCCC1 34a_100000700776_100011217769 [1,0,0,1,0,0|2,0,0]=4 10677 B13R1.1887 C=CCCCOC1CCCCCC1 34a_100000210887_100000757094 [1,0,0,1,0,0|2,0,0]=4 10678 B13R1.1887 C=CCCCOC1CCCCCC1 34a_100000758997_100011217769 [1,0,0,1,0,0|2,0,0]=4 10679 B13R1.1887 C=CCCCOC1CCCCCC1 7a_100000210887_100000757094 [1,0,0,1,0,0|2,0,0]=4 10680 B13R1.1887 C=CCCCSC1CCCCCC1 62a_100011217769_100000757094 [1,0,0,1,0,0|2,0,0]=4 10681 B13R1.1887 C=CCCCSC1CCCCCC1 62a_100011713584_100011217769 [1,0,0,1,0,0|2,0,0]=4 10682 B13R1.1887 C=CCCNCC1CCCCCC1 2230a_100015191253_200000696569 [1,0,0,1,0,0|2,0,0]=4 10683 B13R1.1887 C=CCCNCC1CCCCCC1 2230a_100015204231_100000754431 [1,0,0,1,0,0|2,0,0]=4 10684 B13R1.1887 C=CCCNCC1CCCCCC1 269862a_100015191253_200000763224 [1,0,0,1,0,0|2,0,0]=4 10685 B13R1.1887 C=CCCNCC1CCCCCC1 34a_100015204231_100000754431 [1,0,0,1,0,0|2,0,0]=4 10686 B13R1.1887 C=CCCOCC1CCCCCC1 34a_100000699130_100000754431 [1,0,0,1,0,0|2,0,0]=4 10687 B13R1.1887 C=CCCOCC1CCCCCC1 34a_100011205117_200000696569 [1,0,0,1,0,0|2,0,0]=4 10688 B13R1.1887 C=CCCOCC1CCCCCC1 7a_100000699130_100000754431 [1,0,0,1,0,0|2,0,0]=4 10689 B13R1.1887 C=CCCSCC1CCCCCC1 62a_100000754431_200000696569 [1,0,0,1,0,0|2,0,0]=4 10690 B13R1.1887 C=CCCSCC1CCCCCC1 62a_200000696569_100000754431 [1,0,0,1,0,0|2,0,0]=4 10691 B13R1.1887 C=CCNCCC1CCCCCC1 2230a_100011532351_100000210623 [1,0,0,1,0,0|2,0,0]=4 10692 B13R1.1887 C=CCNCCC1CCCCCC1 34a_100011532351_100015514636 [1,0,0,1,0,0|2,0,0]=4 10693 B13R1.1887 ClCCCCOC1CCCCCC1 34a_100000210776_100011217769 [1,0,0,1,0,0|1,0,1]=4 10694 B13R1.1887 ClCCCOCC1CCCCCC1 34a_100000230001_200000696569 [1,0,0,1,0,0|1,0,1]=4 10695 B13R1.1887 O=CCCCCN1CCCCCC1 2230a_100000185865_100000139335 [1,0,0,1,0,0|1,0,0]=3 10696 B13R1.1887 O=CCCCCN1CCCCCC1 269982a_100000185865_100000139335 [1,0,0,1,0,0|1,0,0]=3 10697 B13R1.1887 O=CCCCCN1CCCOCC1 2230a_100000685342_100000139335 [1,0,0,1,0,0|2,0,0]=4 10698 B13R1.1887 O=CCCCCN1CCCOCC1 269982a_100000685342_100000139335 [1,0,0,1,0,0|2,0,0]=4 10699 B13R1.1887 O=CCCCNC1CCCCCC1 2230a_100000210984_200011292268 [1,0,0,1,0,0|1,0,0]=3 10700 B13R1.1887 O=CCCCOC1CCCCCC1 7a_100000210887_200011292268 [1,0,0,1,0,0|1,0,0]=3 10701 B13R1.1887 O=CCCCSC1CCCCCC1 62a_100011217769_200011292268 [1,0,0,1,0,0|1,0,0]=3 10702 B13R1.1887 O=CCCCSC1CCCCCC1 62a_200011292268_100011217769 [1,0,0,1,0,0|1,0,0]=3 10703 B13R1.1887 O=CCNCCC1CCCCCC1 2230a_100011532351_200015260668 [1,0,0,1,0,0|1,0,0]=3 10704 B13R1.1887 O=CCNCCC1CCCCCC1 34a_100011532351_200009817547 [1,0,0,1,0,0|1,0,0]=3 10705 B13R1.1887 O=CCOCCN1CCCCCC1 34a_100000238007_200009817547 [1,0,0,1,0,0|2,0,0]=4 10706 B13R1.1887 O=CCSCCN1CCCCCC1 62a_100000722644_200015260668 [1,0,0,1,0,0|2,0,0]=4 10707 B13R1.1887 O=CCSCCN1CCCCCC1 62a_200015260668_100000722644 [1,0,0,1,0,0|2,0,0]=4 10708 B13R1.6 CCCCCOC1CCCC(=O)C1 34a_100012613340_100000718602 [1,0,0,1,0,0|2,0,0]=4 10709 B13R1.6 CCCCOCC1CCCC(=O)N1 34a_200000102386_100000210210 [1,0,0,1,0,0|2,0,0]=4 10710 B13R1.27 CCCCCCOC1CCC(=O)C1 34a_100012614533_100000210314 [1,0,0,1,0,0|2,0,0]=4 10711 B13R1.27 CCCCCNC[C@@H]1CCC(=O)N1 2230a_100000209983_100015189358 [1,0,0,1,0,0|2,0,0]=4 10712 B13R1.27 CCCCCNC[C@H]1CCC(=O)N1 2230a_100015423886_100000210326 [1,0,0,1,0,0|2,0,0]=4 10713 B13R1.27 CCCCCNC[C@H]1CCC(=O)N1 34a_100015423886_100000718602 [1,0,0,1,0,0|2,0,0]=4 10714 B13R1.27 CCCCCOCC1CCC(=O)N1 34a_100000737831_100000718602 [1,0,0,1,0,0|2,0,0]=4 10715 B13R1.27 CCCCCOC[C@@H]1CCC(=O)N1 7a_100000210253_100015189358 [1,0,0,1,0,0|2,0,0]=4 10716 B13R1.27 CCCCCSC[C@@H]1CCC(=O)N1 62a_100000210326_100015189358 [1,0,0,1,0,0|2,0,0]=4 10717 B13R1.27 CCCCCSC[C@@H]1CCC(=O)N1 62a_100015189358_100000210326 [1,0,0,1,0,0|2,0,0]=4 10718 B13R1.90 CCC1CCCCC1OCC(=O)N 34a_100000210738_100000187820 [1,0,0,1,0,0|2,0,0]=4 10719 B13R1.90 CCC1CCCCC1OCC(=O)N 7a_100000210738_100000187820 [1,0,0,1,0,0|2,0,0]=4 10720 B13R1.90 CCC1CCCCC1OCC(=O)[O-] 34a_100000210738_100020667443 [1,0,0,1,0,0|2,0,0]=4 10721 B13R1.90 CCC1CCCCN1CCC(=O)C 269982a_100000210034_100000053229 [1,0,0,1,0,0|2,0,0]=4 10722 B13R1.90 CCC1CCCCN1CCC(=O)N 2230a_100000210034_100000744528 [1,0,0,1,0,0|2,0,0]=4 10723 B13R1.90 CCC1CCCCN1CCC(=O)N 269982a_100000210034_100000744528 [1,0,0,1,0,0|2,0,0]=4 10724 B13R1.90 CCC1CCCCN1CCC(=O)N 34a_100000210034_100000731001 [1,0,0,1,0,0|2,0,0]=4 10725 B13R1.90 CCN1CCCCC1CCC(=O)O 269956a_100000694054_100000210202 [1,0,0,1,0,0|2,0,0]=4 10726 B13R1.103 CCC1CCCC1NCCC(=O)N 269862a_100000740010_100000749056 [1,0,0,1,0,0|2,0,0]=4 10727 B13R1.103 CCC1CCCN1CCCC(=O)C 269982a_100000754278_100011215641 [1,0,0,1,0,0|2,0,0]=4 10728 B13R1.103 CCC1CCCN1CCCC(=O)C 34a_100000754278_100000685027 [1,0,0,1,0,0|2,0,0]=4 10729 B13R1.103 CCC1CCCN1CCCC(=O)N 269982a_100000754278_100102525003 [1,0,0,1,0,0|2,0,0]=4 10730 B13R1.103 CCC1CCCN1CCCC(=O)N 34a_100000754278_100102525003 [1,0,0,1,0,0|2,0,0]=4 10731 B13R1.158 CC(=O)CCCN1CCCCC1C 269982a_100000211376_100011215641 [1,0,0,1,0,0|2,0,0]=4 10732 B13R1.158 CC(=O)CCCN1CCCCC1C 34a_100000211376_100000685027 [1,0,0,1,0,0|2,0,0]=4 10733 B13R1.158 CC(=O)CCOC1CCCCC1C 7a_100000211207_100000053229 [1,0,0,1,0,0|2,0,0]=4 10734 B13R1.158 CC1CCCCC1NCCC(=O)N 2230a_100000211402_100000744528 [1,0,0,1,0,0|2,0,0]=4 10735 B13R1.158 CC1CCCCC1NCCC(=O)N 269862a_100000740010_100000210921 [1,0,0,1,0,0|2,0,0]=4 10736 B13R1.158 CC1CCCCC1NCCC(=O)N 34a_100000211402_100000731001 [1,0,0,1,0,0|2,0,0]=4 10737 B13R1.158 CC1CCCCC1OCCC(=O)N 34a_100000211207_100000731001 [1,0,0,1,0,0|2,0,0]=4 10738 B13R1.158 CC1CCCCC1OCCC(=O)N 7a_100000211207_100000744528 [1,0,0,1,0,0|2,0,0]=4 10739 B13R1.158 CC1CCCCN1CCCC(=O)N 269982a_100000211376_100102525003 [1,0,0,1,0,0|2,0,0]=4 10740 B13R1.158 CC1CCCCN1CCCC(=O)N 34a_100000211376_100102525003 [1,0,0,1,0,0|2,0,0]=4 10741 B13R1.167 CC(=O)CCCCN1CCC[C@@H]1C 269982a_100020605311_100000735457 [1,0,0,1,0,0|2,0,0]=4 10742 B13R1.167 CC(=O)CCCCN1CCC[C@H]1C 269982a_100015189458_100000735457 [1,0,0,1,0,0|2,0,0]=4 10743 B13R1.167 CC(=O)CCCCN1CCC[C@H]1C 34a_100015189458_100009817362 [1,0,0,1,0,0|2,0,0]=4 10744 B13R1.167 CC(=O)CCCOC1CCCC1C 34a_100011216460_100000685027 [1,0,0,1,0,0|2,0,0]=4 10745 B13R1.167 CC(=O)CCCOC1CCCC1C 7a_100011216460_100011215641 [1,0,0,1,0,0|2,0,0]=4 10746 B13R1.167 CC1CCCC1NCCCC(=O)N 269862a_100000739312_100000752053 [1,0,0,1,0,0|2,0,0]=4 10747 B13R1.167 CC1CCCC1OCCCC(=O)N 34a_100011216460_100102525003 [1,0,0,1,0,0|2,0,0]=4 10748 B13R1.167 CC1CCCC1OCCCC(=O)N 7a_100011216460_100102525003 [1,0,0,1,0,0|2,0,0]=4 10749 B13R1.198 CC(=O)CCCCOCC1CC1C 34a_100000744939_100009817362 [1,0,0,1,0,0|2,0,0]=4 10750 B13R1.198 CC(=O)CCCCOCC1CC1C 7a_100000744939_100000735457 [1,0,0,1,0,0|2,0,0]=4 10751 B13R1.224 CCCN1CCCCCC1C(=O)O 269956a_100000758484_100000210207 [1,0,0,1,0,0|2,0,0]=4 10752 B13R1.297 CC1CCN1CCCCCC(=O)N 269982a_100000755817_100009817443 [1,0,0,1,0,0|2,0,0]=4 10753 B13R1.297 CC1CCN1CCCCCC(=O)N 34a_100000755817_100009817443 [1,0,0,1,0,0|2,0,0]=4 10754 B13R1.337 CC(=O)CCCCC1CCCCC1 1458a_200011215547_200000210301 [1,0,0,1,0,0|1,0,0]=3 10755 B13R1.337 CC(=O)CCCCN1CCCCC1 1458a_100000754417_200000210301 [1,0,0,1,0,0|2,0,0]=4 10756 B13R1.337 CC(=O)CCCNC1CCCCC1 34a_100000182618_100000685027 [1,0,0,1,0,0|2,0,0]=4 10757 B13R1.337 CC(=O)CCCOC1CCCCC1 34a_100000210231_100000685027 [1,0,0,1,0,0|2,0,0]=4 10758 B13R1.337 CC(=O)CCCOC1CCCCC1 34a_100000759063_100000210327 [1,0,0,1,0,0|2,0,0]=4 10759 B13R1.337 CC(=O)CCCOC1CCCCC1 7a_100000210231_100011215641 [1,0,0,1,0,0|2,0,0]=4 10760 B13R1.337 CC(=O)CCCOC1CCCCC1 7a_100000759063_100000210327 [1,0,0,1,0,0|2,0,0]=4 10761 B13R1.337 CC(=O)CCCSC1CCCCC1 62a_100000210327_100011215641 [1,0,0,1,0,0|2,0,0]=4 10762 B13R1.337 CC(=O)CCCSC1CCCCC1 62a_100011215641_100000210327 [1,0,0,1,0,0|2,0,0]=4 10763 B13R1.337 CC(=O)CCOCC1CCCCC1 34a_100000759926_100000211423 [1,0,0,1,0,0|2,0,0]=4 10764 B13R1.337 CC(=O)CCOCC1CCCCC1 7a_100000212181_100000053229 [1,0,0,1,0,0|2,0,0]=4 10765 B13R1.337 CC(=O)CCOCC1CCCCC1 7a_100000759926_100000211423 [1,0,0,1,0,0|2,0,0]=4 10766 B13R1.337 CC(=O)CCSCC1CCCCC1 62a_100000053229_100000211423 [1,0,0,1,0,0|2,0,0]=4 10767 B13R1.337 CC(=O)CCSCC1CCCCC1 62a_100000211423_100000053229 [1,0,0,1,0,0|2,0,0]=4 10768 B13R1.337 CC(=O)COCCC1CCCCC1 34a_100000211253_100011209188 [1,0,0,1,0,0|2,0,0]=4 10769 B13R1.337 CC(=O)NCCCC1CCCCC1 11a_100011211642_100015343762 [1,0,0,1,0,0|2,0,0]=4 10770 B13R1.337 CC(=O)NCCCC1CCCCC1 1626a_100011211642_100015343762 [1,0,0,1,0,0|2,0,0]=4 10771 B13R1.337 CC(=O)NCCCC1CCCCC1 240690a_100011211642_100015343762 [1,0,0,1,0,0|2,0,0]=4 10772 B13R1.337 CC(=O)NCCCC1CCCCC1 527a_100011211642_100103153847 [1,0,0,1,0,0|2,0,0]=4 10773 B13R1.337 NC(=O)CCCNC1CCCCC1 34a_100000182618_100102525003 [1,0,0,1,0,0|2,0,0]=4 10774 B13R1.337 NC(=O)CCCNC1CCCCC1 34a_100000739312_100000210327 [1,0,0,1,0,0|2,0,0]=4 10775 B13R1.337 NC(=O)CCCOC1CCCCC1 34a_100000210231_100102525003 [1,0,0,1,0,0|2,0,0]=4 10776 B13R1.337 NC(=O)CCCOC1CCCCC1 7a_100000210231_100102525003 [1,0,0,1,0,0|2,0,0]=4 10777 B13R1.337 NC(=O)CCCSC1CCCCC1 62a_100000210327_100102525003 [1,0,0,1,0,0|2,0,0]=4 10778 B13R1.337 NC(=O)CCCSC1CCCCC1 62a_100102525003_100000210327 [1,0,0,1,0,0|2,0,0]=4 10779 B13R1.337 NC(=O)CCNCC1CCCCC1 2230a_100000210473_100000744528 [1,0,0,1,0,0|2,0,0]=4 10780 B13R1.337 NC(=O)CCNCC1CCCCC1 269862a_100000740010_100000211278 [1,0,0,1,0,0|2,0,0]=4 10781 B13R1.337 NC(=O)CCNCC1CCCCC1 34a_100000210473_100000731001 [1,0,0,1,0,0|2,0,0]=4 10782 B13R1.337 NC(=O)CCOCC1CCCCC1 34a_100000212181_100000731001 [1,0,0,1,0,0|2,0,0]=4 10783 B13R1.337 NC(=O)CCOCC1CCCCC1 34a_100000757172_100000211423 [1,0,0,1,0,0|2,0,0]=4 10784 B13R1.337 NC(=O)CCOCC1CCCCC1 7a_100000212181_100000744528 [1,0,0,1,0,0|2,0,0]=4 10785 B13R1.337 NC(=O)CCOCC1CCCCC1 7a_100000757172_100000211423 [1,0,0,1,0,0|2,0,0]=4 10786 B13R1.337 NC(=O)CCSCC1CCCCC1 62a_100000211423_100000744528 [1,0,0,1,0,0|2,0,0]=4 10787 B13R1.337 NC(=O)CCSCC1CCCCC1 62a_100000744528_100000211423 [1,0,0,1,0,0|2,0,0]=4 10788 B13R1.337 NC(=O)CNCCC1CCCCC1 2230a_100000711301_100012355289 [1,0,0,1,0,0|2,0,0]=4 10789 B13R1.337 NC(=O)CNCCC1CCCCC1 2230a_100000738074_100000747473 [1,0,0,1,0,0|2,0,0]=4 10790 B13R1.337 NC(=O)CNCCC1CCCCC1 34a_100000738074_100000187820 [1,0,0,1,0,0|2,0,0]=4 10791 B13R1.337 NC(=O)COCCC1CCCCC1 34a_100011217863_100000187820 [1,0,0,1,0,0|2,0,0]=4 10792 B13R1.337 NC(=O)COCCC1CCCCC1 7a_100011217863_100000187820 [1,0,0,1,0,0|2,0,0]=4 10793 B13R1.337 NC(=O)CSCCC1CCCCC1 62a_100000747473_100012355289 [1,0,0,1,0,0|2,0,0]=4 10794 B13R1.337 NC(=O)CSCCC1CCCCC1 62a_100012355289_100000747473 [1,0,0,1,0,0|2,0,0]=4 10795 B13R1.337 O=C(O)CNCCC1CCCCC1 269956a_100016091260_100011273959 [1,0,0,1,0,0|2,0,0]=4 10796 B13R1.337 O=C([O-])CNCCC1CCCCC1 34a_100000738074_100020667443 [1,0,0,1,0,0|2,0,0]=4 10797 B13R1.337 O=C([O-])COCCC1CCCCC1 34a_100011217863_100020667443 [1,0,0,1,0,0|2,0,0]=4 10798 B13R1.337 O=C([O-])CSCCC1CCCCC1 62a_100012355289_100020667443 [1,0,0,1,0,0|2,0,0]=4 10799 B13R1.337 O=C([O-])CSCCC1CCCCC1 62a_100020667443_100012355289 [1,0,0,1,0,0|2,0,0]=4 10800 B13R1.337 [13CH3]C(=O)CCCCC1CCCCC1 1458a_200011215547_200025704644 [1,0,0,1,0,0|1,0,0]=3 10801 B13R1.337 [13CH3]C(=O)CCCCN1CCCCC1 1458a_100000754417_200025704644 [1,0,0,1,0,0|2,0,0]=4 10802 B13R1.343 CC(=O)CCCCNC1CCCC1 34a_100000211070_100009817362 [1,0,0,1,0,0|2,0,0]=4 10803 B13R1.343 CC(=O)CCCCOC1CCCC1 34a_100000210269_100009817362 [1,0,0,1,0,0|2,0,0]=4 10804 B13R1.343 CC(=O)CCCCOC1CCCC1 7a_100000210269_100000735457 [1,0,0,1,0,0|2,0,0]=4 10805 B13R1.343 CC(=O)CCCCSC1CCCC1 62a_100000735457_100000179811 [1,0,0,1,0,0|2,0,0]=4 10806 B13R1.343 CC(=O)CCCCSC1CCCC1 62a_100011217020_100000735457 [1,0,0,1,0,0|2,0,0]=4 10807 B13R1.343 CC(=O)CCCNCC1CCCC1 34a_100000737975_100000685027 [1,0,0,1,0,0|2,0,0]=4 10808 B13R1.343 CC(=O)CCCOCC1CCCC1 34a_100000742336_100000685027 [1,0,0,1,0,0|2,0,0]=4 10809 B13R1.343 CC(=O)CCCOCC1CCCC1 34a_100000759063_100000740388 [1,0,0,1,0,0|2,0,0]=4 10810 B13R1.343 CC(=O)CCCOCC1CCCC1 7a_100000742336_100011215641 [1,0,0,1,0,0|2,0,0]=4 10811 B13R1.343 CC(=O)CCCOCC1CCCC1 7a_100000759063_100000740388 [1,0,0,1,0,0|2,0,0]=4 10812 B13R1.343 CC(=O)CCCSCC1CCCC1 62a_100000740388_100011215641 [1,0,0,1,0,0|2,0,0]=4 10813 B13R1.343 CC(=O)CCCSCC1CCCC1 62a_100011215641_100000740388 [1,0,0,1,0,0|2,0,0]=4 10814 B13R1.343 CC(=O)CCOCCC1CCCC1 34a_100000759926_100000760354 [1,0,0,1,0,0|2,0,0]=4 10815 B13R1.343 CC(=O)CCOCCC1CCCC1 7a_100000749090_100000053229 [1,0,0,1,0,0|2,0,0]=4 10816 B13R1.343 CC(=O)CCOCCC1CCCC1 7a_100000759926_100000760354 [1,0,0,1,0,0|2,0,0]=4 10817 B13R1.343 CC(=O)CCSCCC1CCCC1 62a_100000053229_100000760354 [1,0,0,1,0,0|2,0,0]=4 10818 B13R1.343 CC(=O)CCSCCC1CCCC1 62a_100000760354_100000053229 [1,0,0,1,0,0|2,0,0]=4 10819 B13R1.343 CC(=O)COCCCC1CCCC1 34a_100000211253_100011713738 [1,0,0,1,0,0|2,0,0]=4 10820 B13R1.343 NC(=O)CCCCCN1CCCC1 2230a_100000188435_100009817443 [1,0,0,1,0,0|2,0,0]=4 10821 B13R1.343 NC(=O)CCCCCN1CCCC1 269982a_100000188435_100009817443 [1,0,0,1,0,0|2,0,0]=4 10822 B13R1.343 NC(=O)CCCCNC1CCCC1 270004a_100000696515_100000210133 [1,0,0,1,0,0|2,0,0]=4 10823 B13R1.343 NC(=O)CCCCNC1CCCC1 34a_100000696515_100000179811 [1,0,0,1,0,0|2,0,0]=4 10824 B13R1.343 NC(=O)CCCCOC1CCCC1 34a_100012022536_100000179811 [1,0,0,1,0,0|2,0,0]=4 10825 B13R1.343 NC(=O)CCCCOC1CCCC1 7a_100012022536_100000179811 [1,0,0,1,0,0|2,0,0]=4 10826 B13R1.343 NC(=O)CCCNCC1CCCC1 269862a_100000739312_100000746403 [1,0,0,1,0,0|2,0,0]=4 10827 B13R1.343 NC(=O)CCCNCC1CCCC1 34a_100000737975_100102525003 [1,0,0,1,0,0|2,0,0]=4 10828 B13R1.343 NC(=O)CCCNCC1CCCC1 34a_100000739312_100000740388 [1,0,0,1,0,0|2,0,0]=4 10829 B13R1.343 NC(=O)CCCOCC1CCCC1 34a_100000742336_100102525003 [1,0,0,1,0,0|2,0,0]=4 10830 B13R1.343 NC(=O)CCCOCC1CCCC1 7a_100000742336_100102525003 [1,0,0,1,0,0|2,0,0]=4 10831 B13R1.343 NC(=O)CCCSCC1CCCC1 62a_100000740388_100102525003 [1,0,0,1,0,0|2,0,0]=4 10832 B13R1.343 NC(=O)CCCSCC1CCCC1 62a_100102525003_100000740388 [1,0,0,1,0,0|2,0,0]=4 10833 B13R1.343 NC(=O)CCNCCC1CCCC1 2230a_100000739158_100000744528 [1,0,0,1,0,0|2,0,0]=4 10834 B13R1.343 NC(=O)CCNCCC1CCCC1 34a_100000739158_100000731001 [1,0,0,1,0,0|2,0,0]=4 10835 B13R1.343 NC(=O)CCOCCC1CCCC1 34a_100000749090_100000731001 [1,0,0,1,0,0|2,0,0]=4 10836 B13R1.343 NC(=O)CCOCCC1CCCC1 34a_100000757172_100000760354 [1,0,0,1,0,0|2,0,0]=4 10837 B13R1.343 NC(=O)CCOCCC1CCCC1 7a_100000749090_100000744528 [1,0,0,1,0,0|2,0,0]=4 10838 B13R1.343 NC(=O)CCOCCC1CCCC1 7a_100000757172_100000760354 [1,0,0,1,0,0|2,0,0]=4 10839 B13R1.343 NC(=O)CCSCCC1CCCC1 62a_100000744528_100000760354 [1,0,0,1,0,0|2,0,0]=4 10840 B13R1.343 NC(=O)CCSCCC1CCCC1 62a_100000760354_100000744528 [1,0,0,1,0,0|2,0,0]=4 10841 B13R1.343 NC(=O)CNCCCC1CCCC1 2230a_100000711301_100011713738 [1,0,0,1,0,0|2,0,0]=4 10842 B13R1.343 NC(=O)CNCCCC1CCCC1 2230a_100000736752_100000747473 [1,0,0,1,0,0|2,0,0]=4 10843 B13R1.343 NC(=O)CNCCCC1CCCC1 34a_100000736752_100000187820 [1,0,0,1,0,0|2,0,0]=4 10844 B13R1.343 NC(=O)COCCCC1CCCC1 34a_100011215328_100000187820 [1,0,0,1,0,0|2,0,0]=4 10845 B13R1.343 NC(=O)COCCCC1CCCC1 7a_100011215328_100000187820 [1,0,0,1,0,0|2,0,0]=4 10846 B13R1.343 NC(=O)CSCCCC1CCCC1 62a_100000747473_100011713738 [1,0,0,1,0,0|2,0,0]=4 10847 B13R1.343 NC(=O)CSCCCC1CCCC1 62a_100011713738_100000747473 [1,0,0,1,0,0|2,0,0]=4 10848 B13R1.343 O=C(O)CNCCCC1CCCC1 269956a_100016091260_100011713738 [1,0,0,1,0,0|2,0,0]=4 10849 B13R1.343 O=C([O-])CNCCCC1CCCC1 34a_100000736752_100020667443 [1,0,0,1,0,0|2,0,0]=4 10850 B13R1.343 O=C([O-])COCCCC1CCCC1 34a_100011215328_100020667443 [1,0,0,1,0,0|2,0,0]=4 10851 B13R1.343 O=C([O-])CSCCCC1CCCC1 62a_100011713738_100020667443 [1,0,0,1,0,0|2,0,0]=4 10852 B13R1.343 O=C([O-])CSCCCC1CCCC1 62a_100020667443_100011713738 [1,0,0,1,0,0|2,0,0]=4 10853 B13R1.362 CCCCCCCSC1CC(=O)C1 62a_100009894365_100000210316 [1,0,0,1,0,0|2,0,0]=4 10854 B13R1.362 CCCCCCNCC1CC(=O)C1 2230a_100000210581_100009874392 [1,0,0,1,0,0|2,0,0]=4 10855 B13R1.362 CCCCCCOCC1CC(=O)C1 34a_100000101936_100000210314 [1,0,0,1,0,0|2,0,0]=4 10856 B13R1.362 CCCCCCOCC1CC(=O)C1 7a_100000210259_100009874392 [1,0,0,1,0,0|2,0,0]=4 10857 B13R1.362 CCCCCCSCC1CC(=O)C1 62a_100000210314_100009874392 [1,0,0,1,0,0|2,0,0]=4 10858 B13R1.362 CCCCCCSCC1CC(=O)C1 62a_100009874392_100000210757 [1,0,0,1,0,0|2,0,0]=4 10859 B13R1.380 CCCC1CCCCN1CC(=O)N 2230a_100000701414_100000747473 [1,0,0,1,0,0|2,0,0]=4 10860 B13R1.380 CCCC1CCCCN1CC(=O)N 269982a_100000701414_100000187820 [1,0,0,1,0,0|2,0,0]=4 10861 B13R1.380 CCCC1CCCCN1CC(=O)N 34a_100000701414_100000187820 [1,0,0,1,0,0|2,0,0]=4 10862 B13R1.380 CCCC1CCCCN1CC(=O)[O-] 269982a_100000701414_100020667443 [1,0,0,1,0,0|2,0,0]=4 10863 B13R1.380 CCCC1CCCCN1CC(=O)[O-] 34a_100000701414_100020667443 [1,0,0,1,0,0|2,0,0]=4 10864 B13R1.380 CCCN1CCCCC1CC(=O)N 2230a_100015184752_100000210303 [1,0,0,1,0,0|2,0,0]=4 10865 B13R1.380 CCCN1CCCCC1CC(=O)N 269982a_100015184752_100000210303 [1,0,0,1,0,0|2,0,0]=4 10866 B13R1.380 CCCN1CCCCC1CC(=O)N 34a_100015184752_100000210303 [1,0,0,1,0,0|2,0,0]=4 10867 B13R1.572 CCCCN1CCCCC1C(=O)N 2230a_100000181395_100000210211 [1,0,0,1,0,0|2,0,0]=4 10868 B13R1.572 CCCCN1CCCCC1C(=O)N 269982a_100000181395_100000210211 [1,0,0,1,0,0|2,0,0]=4 10869 B13R1.572 CCCCN1CCCCC1C(=O)N 34a_100000181395_100000210210 [1,0,0,1,0,0|2,0,0]=4 10870 B13R1.572 CCCCN1CCCC[C@@H]1C(=O)O 269956a_100000763471_100000210211 [1,0,0,1,0,0|2,0,0]=4 10871 B13R1.572 CCCN[C@@H]1CCCC[C@H]1C(=O)O 269956a_100009816435_100000210207 [1,0,0,1,0,0|2,0,0]=4 10872 B13R1.586 CC(=O)CCCCNCC1CCC1 34a_100000738700_100009817362 [1,0,0,1,0,0|2,0,0]=4 10873 B13R1.586 CC(=O)CCCCOCC1CCC1 34a_100000760304_100009817362 [1,0,0,1,0,0|2,0,0]=4 10874 B13R1.586 CC(=O)CCCCSCC1CCC1 62a_100000735457_100000763275 [1,0,0,1,0,0|2,0,0]=4 10875 B13R1.586 CC(=O)CCCCSCC1CCC1 62a_100000763275_100000735457 [1,0,0,1,0,0|2,0,0]=4 10876 B13R1.586 NC(=O)CCCCCNC1CCC1 2230a_100000749019_100009817443 [1,0,0,1,0,0|2,0,0]=4 10877 B13R1.586 NC(=O)CCCCCNC1CCC1 34a_100000749019_100009817443 [1,0,0,1,0,0|2,0,0]=4 10878 B13R1.586 NC(=O)CCCCCOC1CCC1 34a_100000123541_100000749161 [1,0,0,1,0,0|2,0,0]=4 10879 B13R1.586 NC(=O)CCCCCOC1CCC1 34a_100000748187_100009817443 [1,0,0,1,0,0|2,0,0]=4 10880 B13R1.586 NC(=O)CCCCCSC1CCC1 62a_100009817443_100000749161 [1,0,0,1,0,0|2,0,0]=4 10881 B13R1.586 NC(=O)CCCCNCC1CCC1 269862a_100000696515_100000753134 [1,0,0,1,0,0|2,0,0]=4 10882 B13R1.586 NC(=O)CCCCNCC1CCC1 34a_100000696515_100000763275 [1,0,0,1,0,0|2,0,0]=4 10883 B13R1.586 NC(=O)CCCCOCC1CCC1 34a_100012022536_100000763275 [1,0,0,1,0,0|2,0,0]=4 10884 B13R1.586 NC(=O)CCCCOCC1CCC1 7a_100012022536_100000763275 [1,0,0,1,0,0|2,0,0]=4 10885 B13R1.614 CN[C@@H]1CCCCCC[C@@H]1C(=O)O 269956a_200049070474_200000210301 [1,0,0,1,0,0|2,0,0]=4 10886 B13R1.614 [13CH3]N[C@@H]1CCCCCC[C@@H]1C(=O)O 269956a_200049070474_200025704644 [1,0,0,1,0,0|2,0,0]=4 10887 B13R1.670 CCCCCN1CCC[C@H]1C(=O)N 2230a_100000003125_100000210326 [1,0,0,1,0,0|2,0,0]=4 10888 B13R1.670 CCCCCN1CCC[C@H]1C(=O)O 269956a_100000743916_100000210326 [1,0,0,1,0,0|2,0,0]=4 10889 B13R1.1022 CC(=O)CCN1CCCCCCC1 1458a_200015187237_200000210301 [1,0,0,1,0,0|2,0,0]=4 10890 B13R1.1022 CC(=O)CCN1CCCCCCC1 269982a_100000211400_100000053229 [1,0,0,1,0,0|2,0,0]=4 10891 B13R1.1022 NC(=O)CCN1CCCCCCC1 2230a_100000211400_100000744528 [1,0,0,1,0,0|2,0,0]=4 10892 B13R1.1022 NC(=O)CCN1CCCCCCC1 269982a_100000211400_100000744528 [1,0,0,1,0,0|2,0,0]=4 10893 B13R1.1022 NC(=O)CCN1CCCCCCC1 34a_100000211400_100000731001 [1,0,0,1,0,0|2,0,0]=4 10894 B13R1.1022 NC(=O)CNC1CCCCCCC1 2230a_100000211152_100000747473 [1,0,0,1,0,0|2,0,0]=4 10895 B13R1.1022 NC(=O)CNC1CCCCCCC1 34a_100000211152_100000187820 [1,0,0,1,0,0|2,0,0]=4 10896 B13R1.1022 NC(=O)COC1CCCCCCC1 34a_100000210054_100000187820 [1,0,0,1,0,0|2,0,0]=4 10897 B13R1.1022 NC(=O)COC1CCCCCCC1 7a_100000210054_100000187820 [1,0,0,1,0,0|2,0,0]=4 10898 B13R1.1022 O=C([O-])CNC1CCCCCCC1 34a_100000211152_100020667443 [1,0,0,1,0,0|2,0,0]=4 10899 B13R1.1022 O=C([O-])COC1CCCCCCC1 34a_100000210054_100020667443 [1,0,0,1,0,0|2,0,0]=4 10900 B13R1.1022 [13CH3]C(=O)CCN1CCCCCCC1 1458a_200015187237_200025704644 [1,0,0,1,0,0|2,0,0]=4 10901 B13R1.1052 CC(=O)CCCCNCCC1CC1 34a_100000764129_100009817362 [1,0,0,1,0,0|2,0,0]=4 10902 B13R1.1052 CC(=O)CCCCOCCC1CC1 34a_100000754188_100009817362 [1,0,0,1,0,0|2,0,0]=4 10903 B13R1.1052 CC(=O)CCCCOCCC1CC1 7a_100000754188_100000735457 [1,0,0,1,0,0|2,0,0]=4 10904 B13R1.1052 CC(=O)CCCCSCCC1CC1 62a_100000735457_100000764125 [1,0,0,1,0,0|2,0,0]=4 10905 B13R1.1052 CC(=O)CCCCSCCC1CC1 62a_100000764125_100000735457 [1,0,0,1,0,0|2,0,0]=4 10906 B13R1.1052 NC(=O)CCCCCNCC1CC1 2230a_100000735609_100009817443 [1,0,0,1,0,0|2,0,0]=4 10907 B13R1.1052 NC(=O)CCCCCNCC1CC1 34a_100000735609_100009817443 [1,0,0,1,0,0|2,0,0]=4 10908 B13R1.1052 NC(=O)CCCCCOCC1CC1 34a_100000123541_100000742324 [1,0,0,1,0,0|2,0,0]=4 10909 B13R1.1052 NC(=O)CCCCCOCC1CC1 34a_100000211283_100009817443 [1,0,0,1,0,0|2,0,0]=4 10910 B13R1.1052 NC(=O)CCCCCOCC1CC1 7a_100000123541_100000742324 [1,0,0,1,0,0|2,0,0]=4 10911 B13R1.1052 NC(=O)CCCCCSCC1CC1 62a_100000756562_100009817443 [1,0,0,1,0,0|2,0,0]=4 10912 B13R1.1052 NC(=O)CCCCCSCC1CC1 62a_100009817443_100000742324 [1,0,0,1,0,0|2,0,0]=4 10913 B13R1.1052 NC(=O)CCCCNCCC1CC1 34a_100000696515_100000694398 [1,0,0,1,0,0|2,0,0]=4 10914 B13R1.1052 NC(=O)CCCCOCCC1CC1 34a_100012022536_100000694398 [1,0,0,1,0,0|2,0,0]=4 10915 B13R1.1052 NC(=O)CCCCOCCC1CC1 7a_100012022536_100000764125 [1,0,0,1,0,0|2,0,0]=4 10916 B13R1.1052 O=C([O-])CCCCCOCC1CC1 7a_100102619762_100000742324 [1,0,0,1,0,0|2,0,0]=4 10917 B13R1.1107 NC(=O)CN1CCCCCCCC1 2230a_100000039187_100000747473 [1,0,0,1,0,0|2,0,0]=4 10918 B13R1.1107 NC(=O)CN1CCCCCCCC1 269982a_100000039187_100000187820 [1,0,0,1,0,0|2,0,0]=4 10919 B13R1.1107 NC(=O)CN1CCCCCCCC1 34a_100000039187_100000187820 [1,0,0,1,0,0|2,0,0]=4 10920 B13R1.1107 O=C([O-])CN1CCCCCCCC1 269982a_100000039187_100020667443 [1,0,0,1,0,0|2,0,0]=4 10921 B13R1.1107 O=C([O-])CN1CCCCCCCC1 34a_100000039187_100020667443 [1,0,0,1,0,0|2,0,0]=4 10922 B13R1.1988 CC(=O)CCCN1CCCCCC1 269982a_100000185865_100011215641 [1,0,0,1,0,0|2,0,0]=4 10923 B13R1.1988 CC(=O)CCCN1CCCCCC1 34a_100000185865_100000685027 [1,0,0,1,0,0|2,0,0]=4 10924 B13R1.1988 CC(=O)CCOC1CCCCCC1 34a_100000759926_100011217769 [1,0,0,1,0,0|2,0,0]=4 10925 B13R1.1988 CC(=O)CCOC1CCCCCC1 7a_100000210887_100000053229 [1,0,0,1,0,0|2,0,0]=4 10926 B13R1.1988 CC(=O)CCSC1CCCCCC1 62a_100000053229_100011217769 [1,0,0,1,0,0|2,0,0]=4 10927 B13R1.1988 CC(=O)CCSC1CCCCCC1 62a_100011217769_100000053229 [1,0,0,1,0,0|2,0,0]=4 10928 B13R1.1988 CC(=O)COCC1CCCCCC1 34a_100000211253_200000696569 [1,0,0,1,0,0|2,0,0]=4 10929 B13R1.1988 CC(=O)NCCC1CCCCCC1 11a_100011532351_100015343762 [1,0,0,1,0,0|2,0,0]=4 10930 B13R1.1988 CC(=O)NCCC1CCCCCC1 1626a_100011532351_100015343762 [1,0,0,1,0,0|2,0,0]=4 10931 B13R1.1988 CC(=O)NCCC1CCCCCC1 240690a_100011532351_100015343762 [1,0,0,1,0,0|2,0,0]=4 10932 B13R1.1988 CC(=O)NCCC1CCCCCC1 527a_100011532351_100103153847 [1,0,0,1,0,0|2,0,0]=4 10933 B13R1.1988 NC(=O)CCCN1CCCCCC1 269982a_100000185865_100102525003 [1,0,0,1,0,0|2,0,0]=4 10934 B13R1.1988 NC(=O)CCCN1CCCCCC1 34a_100000185865_100102525003 [1,0,0,1,0,0|2,0,0]=4 10935 B13R1.1988 NC(=O)CCNC1CCCCCC1 2230a_100000210984_100000744528 [1,0,0,1,0,0|2,0,0]=4 10936 B13R1.1988 NC(=O)CCNC1CCCCCC1 34a_100000210984_100000731001 [1,0,0,1,0,0|2,0,0]=4 10937 B13R1.1988 NC(=O)CCOC1CCCCCC1 34a_100000210887_100000731001 [1,0,0,1,0,0|2,0,0]=4 10938 B13R1.1988 NC(=O)CCOC1CCCCCC1 34a_100000757172_100011217769 [1,0,0,1,0,0|2,0,0]=4 10939 B13R1.1988 NC(=O)CCOC1CCCCCC1 7a_100000210887_100000744528 [1,0,0,1,0,0|2,0,0]=4 10940 B13R1.1988 NC(=O)CCSC1CCCCCC1 62a_100000744528_100011217769 [1,0,0,1,0,0|2,0,0]=4 10941 B13R1.1988 NC(=O)CCSC1CCCCCC1 62a_100011217769_100000744528 [1,0,0,1,0,0|2,0,0]=4 10942 B13R1.1988 NC(=O)CNCC1CCCCCC1 2230a_100000711301_200000696569 [1,0,0,1,0,0|2,0,0]=4 10943 B13R1.1988 NC(=O)CNCC1CCCCCC1 2230a_100015204231_100000747473 [1,0,0,1,0,0|2,0,0]=4 10944 B13R1.1988 NC(=O)CNCC1CCCCCC1 34a_100015204231_100000187820 [1,0,0,1,0,0|2,0,0]=4 10945 B13R1.1988 NC(=O)COCC1CCCCCC1 34a_100000699130_100000187820 [1,0,0,1,0,0|2,0,0]=4 10946 B13R1.1988 NC(=O)COCC1CCCCCC1 7a_100000699130_100000187820 [1,0,0,1,0,0|2,0,0]=4 10947 B13R1.1988 NC(=O)CSCC1CCCCCC1 62a_100000747473_200000696569 [1,0,0,1,0,0|2,0,0]=4 10948 B13R1.1988 NC(=O)CSCC1CCCCCC1 62a_200000696569_100000747473 [1,0,0,1,0,0|2,0,0]=4 10949 B13R1.1988 O=C(O)CNCC1CCCCCC1 269956a_100016091260_200000696569 [1,0,0,1,0,0|2,0,0]=4 10950 B13R1.1988 O=C([O-])CNCC1CCCCCC1 34a_100015204231_100020667443 [1,0,0,1,0,0|2,0,0]=4 10951 B13R1.1988 O=C([O-])COCC1CCCCCC1 34a_100000699130_100020667443 [1,0,0,1,0,0|2,0,0]=4 10952 B13R1.1988 O=C([O-])CSCC1CCCCCC1 62a_100020667443_200000696569 [1,0,0,1,0,0|2,0,0]=4 10953 B13R1.1988 O=C([O-])CSCC1CCCCCC1 62a_200000696569_100020667443 [1,0,0,1,0,0|2,0,0]=4 10954 B13R1.3435 CCCCCCN1CCC1C(=O)O 269956a_100000021838_100000210757 [1,0,0,1,0,0|2,0,0]=4 10955 B15R1.137 CCCCCCCC(=O)C1CCC(=O)N1 1458a_100000210400_100000210614 [0,1,0,1,0,0|1,0,1]=4 10956 B15R1.137 CCCCCCCC(=O)[C@@H]1CCC(=O)O1 1458a_100009814974_100000210614 [0,1,0,1,0,0|1,0,1]=4 10957 B15R1.503 CC(=O)CCCC(=O)CCC1CCCC1 1458a_100000211120_100011215641 [0,1,0,1,0,0|1,0,1]=4 10958 B15R1.503 CC(CCCC(=O)[O-])OCC1CCCC1 7a_100000761597_100000740388 [0,1,0,1,0,0|2,0,0]=4 10959 B15R1.503 CN(CCCC(=O)O)CCC1CCCC1 269956a_100000719178_100000760354 [0,1,0,1,0,0|2,0,0]=4 10960 B15R1.503 NC(=O)CCCC(=O)CCC1CCCC1 1458a_100000211120_100102525003 [0,1,0,1,0,0|1,0,1]=4 10961 B15R1.1081 CC(=O)CCCC(=O)CC1CCCCC1 1458a_100000211666_100011215641 [0,1,0,1,0,0|1,0,1]=4 10962 B15R1.1081 CC(=O)CCCN(C)CC1CCCCC1 269982a_100000736448_100011215641 [0,1,0,1,0,0|2,0,0]=4 10963 B15R1.1081 CC(=O)CCCN(C)CC1CCCCC1 34a_100000736448_100000685027 [0,1,0,1,0,0|2,0,0]=4 10964 B15R1.1081 CC(CCCC(=O)[O-])OC1CCCCC1 7a_100000761597_100000210327 [0,1,0,1,0,0|2,0,0]=4 10965 B15R1.1081 CN(CCCC(=O)N)CC1CCCCC1 269982a_100000736448_100102525003 [0,1,0,1,0,0|2,0,0]=4 10966 B15R1.1081 CN(CCCC(=O)N)CC1CCCCC1 34a_100000736448_100102525003 [0,1,0,1,0,0|2,0,0]=4 10967 B15R1.1081 CN(CCCC(=O)O)CC1CCCCC1 269956a_100000719178_100000211423 [0,1,0,1,0,0|2,0,0]=4 10968 B15R1.1081 NC(=O)CCCC(=O)CC1CCCCC1 1458a_100000211666_100102525003 [0,1,0,1,0,0|1,0,1]=4 10969 B15R1.1081 NC(=O)COC[C@@H](N)CC1CCCCC1 34a_100015184289_100000187820 [0,1,0,1,0,0|2,0,0]=4 10970 B15R1.1081 N[C@H](COCC(=O)[O-])CC1CCCCC1 34a_100015184289_100020667443 [0,1,0,1,0,0|2,0,0]=4 10971 B15R1.1159 CCCCCN1CC(CCC1C(=O)O)O 269956a_100000089875_100000210326 [0,1,0,1,0,0|2,0,0]=4 10972 B15R1.1955 CCCCCCCN1CC(C1)CC(=O)O 269956a_100016993960_100000210614 [0,1,0,1,0,0|2,0,0]=4 10973 B15R1.4160 CCCCCCCN1CCC(C1)C(=O)N 2230a_100000752358_100000210681 [0,1,0,1,0,0|2,0,0]=4 10974 B15R1.4160 CCCCCCCN1CCC(C1)C(=O)N 269982a_100000752358_100000210681 [0,1,0,1,0,0|2,0,0]=4 10975 B15R1.4160 CCCCCCCN1CCC(C1)C(=O)N 34a_100000752358_100000210614 [0,1,0,1,0,0|2,0,0]=4 10976 B15R1.4160 CCCCCCN[C@H]1CC[C@H](C1)C(=O)O 269956a_100015195206_100000210757 [0,1,0,1,0,0|2,0,0]=4 10977 B15R1.5908 CCCCCCCC(=O)CC1CC(=O)C1 1458a_100000211969_100009874392 [0,1,0,1,0,0|1,0,1]=4 10978 B15R1.5908 CCCCCCCC(C)SC1CC(=O)C1 62a_100009894365_200011218727 [0,1,0,1,0,0|2,0,0]=4 10979 B15R1.5908 CCCCCCCN(C)CC1CC(=O)C1 2230a_100000228206_100009874392 [0,1,0,1,0,0|2,0,0]=4 10980 B15R1.5908 CCCCCCCN(C)CC1CC(=O)C1 269982a_100000228206_100009874392 [0,1,0,1,0,0|2,0,0]=4 10981 B15R1.8019 CC(=O)CCCC(=O)C1CCCCC1C 1458a_100011215568_100011215641 [0,1,0,1,0,0|1,0,1]=4 10982 B15R1.8019 CC1CCCCC1C(=O)CCCC(=O)N 1458a_100011215568_100102525003 [0,1,0,1,0,0|1,0,1]=4 10983 B15R1.12194 CC(=O)CCCN1CCCCCCCC1 269982a_100000039187_100011215641 [0,1,0,1,0,0|1,0,0]=3 10984 B15R1.12194 CC(=O)CCCN1CCCCCCCC1 34a_100000039187_100000685027 [0,1,0,1,0,0|1,0,0]=3 10985 B15R1.12194 CC(=O)NCCN1CCCCCCCC1 2230a_100000039187_100000189650 [0,1,0,1,0,0|2,0,0]=4 10986 B15R1.12194 CC(=O)NCCN1CCCCCCCC1 269982a_100000039187_100000189650 [0,1,0,1,0,0|2,0,0]=4 10987 B15R1.12194 CC(=O)OCCN1CCCCCCCC1 269982a_100000039187_100009814007 [0,1,0,1,0,0|2,0,0]=4 10988 B15R1.12194 CC(=O)OCCN1CCCCCCCC1 34a_100000039187_100009814007 [0,1,0,1,0,0|2,0,0]=4 10989 B15R1.12194 NC(=O)CCCN1CCCCCCCC1 269982a_100000039187_100102525003 [0,1,0,1,0,0|1,0,0]=3 10990 B15R1.12194 NC(=O)CCCN1CCCCCCCC1 34a_100000039187_100102525003 [0,1,0,1,0,0|1,0,0]=3 10991 B15R1.12194 NC(=O)NCCN1CCCCCCCC1 2230a_100000039187_200000034859 [0,1,0,1,0,0|2,0,0]=4 10992 B15R1.12194 NC(=O)NCCN1CCCCCCCC1 269982a_100000039187_200000034859 [0,1,0,1,0,0|2,0,0]=4 10993 B15R1.12194 NC(=O)OCCN1CCCCCCCC1 269982a_100000039187_200011214921 [0,1,0,1,0,0|2,0,0]=4 10994 B15R1.12194 NC(=O)OCCN1CCCCCCCC1 34a_100000039187_200011214921 [0,1,0,1,0,0|2,0,0]=4 10995 B15R1.31246 CC(=O)CCCC(=O)C1CCCCCC1 1458a_100000749507_100011215641 [0,1,0,1,0,0|1,0,1]=4 10996 B15R1.31246 CC(=O)CCCN(C)C1CCCCCC1 269982a_100015185097_100011215641 [0,1,0,1,0,0|2,0,0]=4 10997 B15R1.31246 CC(=O)CCCN(C)C1CCCCCC1 34a_100015185097_100000685027 [0,1,0,1,0,0|2,0,0]=4 10998 B15R1.31246 CN(CCCC(=O)N)C1CCCCCC1 269982a_100015185097_100102525003 [0,1,0,1,0,0|2,0,0]=4 10999 B15R1.31246 CN(CCCC(=O)N)C1CCCCCC1 34a_100015185097_100102525003 [0,1,0,1,0,0|2,0,0]=4 11000 B15R1.31246 CN(CCCC(=O)O)C1CCCCCC1 269956a_100000719178_100011217769 [0,1,0,1,0,0|2,0,0]=4 11001 B15R1.31246 NC(=O)CCCC(=O)C1CCCCCC1 1458a_100000749507_100102525003 [0,1,0,1,0,0|1,0,1]=4 11002 B15R1.110 CC(C)CCCCCOC1CCC(=O)C1 34a_100012614533_100000210682 [0,1,0,1,0,0|2,0,0]=4 11003 B15R1.110 CC(C)CCCCNC[C@H]1CCC(=O)N1 2230a_100015423886_100011216152 [0,1,0,1,0,0|2,0,0]=4 11004 B15R1.110 CC(C)CCCCNC[C@H]1CCC(=O)N1 34a_100015423886_100011216152 [0,1,0,1,0,0|2,0,0]=4 11005 B15R1.110 CC(C)CCCCOCC1CCC(=O)N1 34a_100000737831_100011216152 [0,1,0,1,0,0|2,0,0]=4 11006 B15R1.110 CC(C)CCCCOC[C@@H]1CCC(=O)N1 7a_100011214890_100015189358 [0,1,0,1,0,0|2,0,0]=4 11007 B15R1.110 CC(C)CCCCSC[C@@H]1CCC(=O)N1 62a_100011216152_100015189358 [0,1,0,1,0,0|2,0,0]=4 11008 B15R1.110 CC(C)CCCCSC[C@@H]1CCC(=O)N1 62a_100015189358_100011216152 [0,1,0,1,0,0|2,0,0]=4 11009 B15R1.110 CC1CCC(C1)OCCCCCC(=O)N 34a_100000698185_100009817443 [0,1,0,1,0,0|2,0,0]=4 11010 B15R1.110 NC(=O)CCCCCN[C@H]1CC[C@H](C1)O 2230a_100015195300_100009817443 [0,1,0,1,0,0|2,0,0]=4 11011 B15R1.119 CC(=O)CCCCNC1CCCC(C1)C 34a_100011194320_100009817362 [0,1,0,1,0,0|2,0,0]=4 11012 B15R1.119 CC(=O)CCCCOC1CCCC(C1)C 34a_100000211399_100009817362 [0,1,0,1,0,0|2,0,0]=4 11013 B15R1.119 CC(C)CCCCOC1CCCC(=O)C1 34a_100012613340_100011216152 [0,1,0,1,0,0|2,0,0]=4 11014 B15R1.119 CC(C)CCCOCC1CCCC(=O)N1 34a_200000102386_100011214892 [0,1,0,1,0,0|2,0,0]=4 11015 B15R1.119 CC(O)CCCOCC1CCCC(=O)N1 34a_200000102386_200000718107 [0,1,0,1,0,0|2,0,0]=4 11016 B15R1.119 CC1CCCC(C1)NCCCCC(=O)N 270004a_100000696515_100000183594 [0,1,0,1,0,0|2,0,0]=4 11017 B15R1.119 C[C@H]1CCCN(C1)CCCCCC(=O)N 2230a_100000717927_100009817443 [0,1,0,1,0,0|2,0,0]=4 11018 B15R1.119 C[C@H]1CCCN(C1)CCCCCC(=O)N 269982a_100000717927_100009817443 [0,1,0,1,0,0|2,0,0]=4 11019 B15R1.119 C[C@H]1CCCN(C1)CCCCCC(=O)N 34a_100000717927_100009817443 [0,1,0,1,0,0|2,0,0]=4 11020 B15R1.119 NC(=O)CCCCCN1CCCC(C1)F 2230a_100000697950_100009817443 [0,1,0,1,0,0|2,0,0]=4 11021 B15R1.119 NC(=O)CCCCCN1CCCC(C1)F 269982a_100000697950_100009817443 [0,1,0,1,0,0|2,0,0]=4 11022 B15R1.119 NC(=O)CCCCCN1CCCC(C1)F 34a_100000697950_100009817443 [0,1,0,1,0,0|2,0,0]=4 11023 B15R1.119 NC(=O)CCCCCN1CCCC(C1)O 2230a_100000211013_100009817443 [0,1,0,1,0,0|2,0,0]=4 11024 B15R1.119 NC(=O)CCCCCN1CCCC(C1)O 269982a_100000211013_100009817443 [0,1,0,1,0,0|2,0,0]=4 11025 B15R1.119 NC(=O)CCCCNC1CCCC(C1)O 270004a_100000696515_100012613340 [0,1,0,1,0,0|2,0,0]=4 11026 B15R1.361 CC(=O)OCCCCCOCC1CC1C 34a_100000744939_100000033007 [0,1,0,1,0,0|2,0,0]=4 11027 B15R1.361 CC(=O)OCCCCCOCC1CC1C 7a_100000744939_100000033007 [0,1,0,1,0,0|2,0,0]=4 11028 B15R1.5914 CC(C)CCN1CCCCC1CC(=O)N 2230a_100015184752_100000210312 [0,1,0,1,0,0|2,0,0]=4 11029 B15R1.5914 CC(C)CCN1CCCCC1CC(=O)N 269982a_100015184752_100000210312 [0,1,0,1,0,0|2,0,0]=4 11030 B15R1.5914 CC(C)CCN1CCCCC1CC(=O)N 34a_100015184752_100000210312 [0,1,0,1,0,0|2,0,0]=4 11031 B15R1.5914 CC(C)CN1CCCCC1CCC(=O)O 269956a_100000694054_100000210760 [0,1,0,1,0,0|2,0,0]=4 11032 B15R1.5914 CC(O)CCN1CCCCC1CC(=O)N 2230a_100015184752_100012276601 [0,1,0,1,0,0|2,0,0]=4 11033 B15R1.5914 CC(O)CCN1CCCCC1CC(=O)N 269982a_100015184752_100012276601 [0,1,0,1,0,0|2,0,0]=4 11034 B15R1.5914 CC(O)CCN1CCCCC1CC(=O)N 34a_100015184752_100012276601 [0,1,0,1,0,0|2,0,0]=4 11035 B15R1.5914 CC(O)CN1CCCCC1CCC(=O)O 269956a_100000694054_100011218427 [0,1,0,1,0,0|2,0,0]=4 11036 B15R1.5914 C[C@@H](O)CN1CCCCC1CCC(=O)O 269956a_100000694054_100009817552 [0,1,0,1,0,0|2,0,0]=4 11037 B15R1.6603 CC(=O)CCCCN1CCCCC(C1)O 269982a_100025706797_100000735457 [0,1,0,1,0,0|2,0,0]=4 11038 B15R1.6753 CC(C)CCCCCNCC1CC(=O)C1 2230a_100011290863_100009874392 [0,1,0,1,0,0|2,0,0]=4 11039 B15R1.6753 CC(C)CCCCCOCC1CC(=O)C1 34a_100000101936_100000210682 [0,1,0,1,0,0|2,0,0]=4 11040 B15R1.6753 CC(C)CCCCCOCC1CC(=O)C1 7a_100011995859_100009874392 [0,1,0,1,0,0|2,0,0]=4 11041 B15R1.6753 CC(C)CCCCCSCC1CC(=O)C1 62a_100000210682_100009874392 [0,1,0,1,0,0|2,0,0]=4 11042 B15R1.6753 CC(C)CCCCCSCC1CC(=O)C1 62a_100009874392_100000210682 [0,1,0,1,0,0|2,0,0]=4 11043 B15R1.6753 NC(=O)CCCCCNCC1CC(C1)O 2230a_100016992100_100009817443 [0,1,0,1,0,0|2,0,0]=4 11044 B15R1.6753 NC(=O)CCCCCOCC1CC(C1)Cl 34a_100009874164_100009817443 [0,1,0,1,0,0|2,0,0]=4 11045 B15R1.8882 CC(=O)CCCN1CCCCC1C(C)C 269982a_100000757267_100011215641 [0,1,0,1,0,0|2,0,0]=4 11046 B15R1.8882 CC(=O)CCCN1CCCCC1C(C)C 34a_100000757267_100000685027 [0,1,0,1,0,0|2,0,0]=4 11047 B15R1.8882 CC(=O)CCOC1CCCCC1C(C)C 7a_100011709184_100000053229 [0,1,0,1,0,0|2,0,0]=4 11048 B15R1.8882 CC(C)C1CCCCC1OCCC(=O)N 34a_100011709184_100000731001 [0,1,0,1,0,0|2,0,0]=4 11049 B15R1.8882 CC(C)C1CCCCC1OCCC(=O)N 7a_100011709184_100000744528 [0,1,0,1,0,0|2,0,0]=4 11050 B15R1.8882 CC(C)C1CCCCN1CCCC(=O)N 269982a_100000757267_100102525003 [0,1,0,1,0,0|2,0,0]=4 11051 B15R1.8882 CC(C)C1CCCCN1CCCC(=O)N 34a_100000757267_100102525003 [0,1,0,1,0,0|2,0,0]=4 11052 B15R1.8882 CC(C)CCCN1CCCCC1C(=O)N 2230a_100000181395_100011214892 [0,1,0,1,0,0|2,0,0]=4 11053 B15R1.8882 CC(C)CCCN1CCCCC1C(=O)N 269982a_100000181395_100011214892 [0,1,0,1,0,0|2,0,0]=4 11054 B15R1.8882 CC(C)CCCN1CCCCC1C(=O)N 34a_100000181395_100011214892 [0,1,0,1,0,0|2,0,0]=4 11055 B15R1.8882 CC(C)CCCN1CCCC[C@@H]1C(=O)O 269956a_100000763471_100011214892 [0,1,0,1,0,0|2,0,0]=4 11056 B15R1.8882 CC(C)CCN[C@@H]1CCCC[C@H]1C(=O)O 269956a_100009816435_100000210312 [0,1,0,1,0,0|2,0,0]=4 11057 B15R1.8882 CC(O)CCCN1CCCCC1C(=O)N 2230a_100000181395_200000718107 [0,1,0,1,0,0|2,0,0]=4 11058 B15R1.8882 CC(O)CCCN1CCCCC1C(=O)N 269982a_100000181395_200000718107 [0,1,0,1,0,0|2,0,0]=4 11059 B15R1.8882 CC(O)CCCN1CCCCC1C(=O)N 34a_100000181395_200000718107 [0,1,0,1,0,0|2,0,0]=4 11060 B15R1.8882 CC(O)CCCN1CCCC[C@@H]1C(=O)O 269956a_100000763471_200000718107 [0,1,0,1,0,0|2,0,0]=4 11061 B15R1.8882 CC(O)CCN[C@@H]1CCCC[C@H]1C(=O)O 269956a_100009816435_100012276601 [0,1,0,1,0,0|2,0,0]=4 11062 B15R1.8884 CC(=O)CCCN1CCCC1CC(C)C 269982a_100000748429_100011215641 [0,1,0,1,0,0|2,0,0]=4 11063 B15R1.8884 CC(=O)CCCN1CCCC1CC(C)C 34a_100000748429_100000685027 [0,1,0,1,0,0|2,0,0]=4 11064 B15R1.8884 CC(C)CC1CCCN1CCCC(=O)N 269982a_100000748429_100102525003 [0,1,0,1,0,0|2,0,0]=4 11065 B15R1.8884 CC(C)CC1CCCN1CCCC(=O)N 34a_100000748429_100102525003 [0,1,0,1,0,0|2,0,0]=4 11066 B15R1.8894 CC(C)CC1CCCCCN1CC(=O)N 2230a_100000759364_100000747473 [0,1,0,1,0,0|2,0,0]=4 11067 B15R1.8894 CC(C)CC1CCCCCN1CC(=O)N 269982a_100000759364_100000187820 [0,1,0,1,0,0|2,0,0]=4 11068 B15R1.8894 CC(C)CC1CCCCCN1CC(=O)N 34a_100000759364_100000187820 [0,1,0,1,0,0|2,0,0]=4 11069 B15R1.8894 CC(C)CC1CCCCCN1CC(=O)[O-] 269982a_100000759364_100020667443 [0,1,0,1,0,0|2,0,0]=4 11070 B15R1.8894 CC(C)CC1CCCCCN1CC(=O)[O-] 34a_100000759364_100020667443 [0,1,0,1,0,0|2,0,0]=4 11071 B15R1.8900 CC(=O)NCCCCCCNCC1CC1 2230a_200011996284_100000742324 [0,1,0,1,0,0|2,0,0]=4 11072 B15R1.8900 CC(=O)NCCCCCCNCC1CC1 269862a_200011996284_100000741477 [0,1,0,1,0,0|2,0,0]=4 11073 B15R1.8900 CC(=O)NCCCCCCNCC1CC1 34a_200011996284_100000742324 [0,1,0,1,0,0|2,0,0]=4 11074 B15R1.8900 CC(=O)NCCCCCNCCC1CC1 2230a_200012022750_100000694398 [0,1,0,1,0,0|2,0,0]=4 11075 B15R1.8900 CC(=O)NCCCCCNCCC1CC1 34a_200012022750_100000694398 [0,1,0,1,0,0|2,0,0]=4 11076 B15R1.8900 CC(=O)OCCCCCNCCC1CC1 34a_100000764129_100000033007 [0,1,0,1,0,0|2,0,0]=4 11077 B15R1.8900 CC(=O)OCCCCCOCCC1CC1 34a_100000754188_100000033007 [0,1,0,1,0,0|2,0,0]=4 11078 B15R1.8900 CC(=O)OCCCCCOCCC1CC1 7a_100000754188_100000033007 [0,1,0,1,0,0|2,0,0]=4 11079 B15R1.8900 CC(=O)OCCCCCSCCC1CC1 62a_100000033007_100000764125 [0,1,0,1,0,0|2,0,0]=4 11080 B15R1.8900 CC(=O)OCCCCCSCCC1CC1 62a_100000764125_100000033007 [0,1,0,1,0,0|2,0,0]=4 11081 B15R1.8900 CC(=O)SCCCCCCNCC1CC1 269862a_100000704104_100000741477 [0,1,0,1,0,0|2,0,0]=4 11082 B15R1.8900 NC(=O)CCCCCOCCCC1CO1 34a_100000123541_100000733510 [0,1,0,1,0,0|2,0,0]=4 11083 B15R1.8900 NC(=O)CCCCCOCCCC1CO1 7a_100000123541_100000733510 [0,1,0,1,0,0|2,0,0]=4 11084 B15R1.8900 NC(=O)CCCCCOCCNC1CC1 34a_100000738766_100009817443 [0,1,0,1,0,0|2,0,0]=4 11085 B15R1.8900 NC(=O)CCCCCSCCCC1CO1 62a_100000733510_100009817443 [0,1,0,1,0,0|2,0,0]=4 11086 B15R1.8900 NC(=O)CCCCCSCCCC1CO1 62a_100009817443_100000733510 [0,1,0,1,0,0|2,0,0]=4 11087 B15R1.8900 O=C([O-])CCCCCOCCCC1CO1 7a_100102619762_100000733510 [0,1,0,1,0,0|2,0,0]=4 11088 B15R1.8943 CC1(CCCCC1NCCCC(=O)N)C 269862a_100000739312_100000031690 [0,1,0,1,0,0|2,0,0]=4 11089 B15R1.8944 CC(=O)CCCCN1CCCC1C(C)C 269982a_100000762757_100000735457 [0,1,0,1,0,0|2,0,0]=4 11090 B15R1.8944 CC(=O)CCCCN1CCCC1C(C)C 34a_100000762757_100009817362 [0,1,0,1,0,0|2,0,0]=4 11091 B15R1.8944 CC(C)CCCCN1CCC[C@H]1C(=O)N 2230a_100000003125_100011216152 [0,1,0,1,0,0|2,0,0]=4 11092 B15R1.8944 CC(C)CCCCN1CCC[C@H]1C(=O)O 269956a_100000743916_100011216152 [0,1,0,1,0,0|2,0,0]=4 11093 B15R1.8959 CC(C)CCCCCN1CCC1C(=O)O 269956a_100000021838_100000210682 [0,1,0,1,0,0|2,0,0]=4 11094 B15R1.8972 CC(=O)CCCCN[C@@H]1CCC[C@@]1(C)O 34a_100015977457_100009817362 [0,1,0,1,0,0|2,0,0]=4 11095 B15R1.8972 CC(=O)CCCCOC1CCCC1(C)C 34a_100000726220_100009817362 [0,1,0,1,0,0|2,0,0]=4 11096 B15R1.8972 CC(=O)CCCCOC1CCCC1(C)C 7a_100000726220_100000735457 [0,1,0,1,0,0|2,0,0]=4 11097 B15R1.8972 CC1(CCCC1NCCCCC(=O)N)C 269862a_100000696515_100000065263 [0,1,0,1,0,0|2,0,0]=4 11098 B15R1.8972 CC1(CCCN1CCCCCC(=O)N)C 2230a_100000761399_100009817443 [0,1,0,1,0,0|2,0,0]=4 11099 B15R1.8972 CC1(CCCN1CCCCCC(=O)N)C 269982a_100000761399_100009817443 [0,1,0,1,0,0|2,0,0]=4 11100 B15R1.8972 CC1(CCCN1CCCCCC(=O)N)C 34a_100000761399_100009817443 [0,1,0,1,0,0|2,0,0]=4 11101 B15R1.12182 CC(=O)CCN1CCCCCC1C(C)C 269982a_100000697956_100000053229 [0,1,0,1,0,0|2,0,0]=4 11102 B15R1.12182 CC(C)C1CCCCCN1CCC(=O)N 2230a_100000697956_100000744528 [0,1,0,1,0,0|2,0,0]=4 11103 B15R1.12182 CC(C)C1CCCCCN1CCC(=O)N 269982a_100000697956_100000744528 [0,1,0,1,0,0|2,0,0]=4 11104 B15R1.12182 CC(C)C1CCCCCN1CCC(=O)N 34a_100000697956_100000731001 [0,1,0,1,0,0|2,0,0]=4 11105 B15R1.12182 CC(C)CCN1CCCCCC1C(=O)O 269956a_100000758484_100000210312 [0,1,0,1,0,0|2,0,0]=4 11106 B15R1.12182 CC(O)CCN1CCCCCC1C(=O)O 269956a_100000758484_100012276601 [0,1,0,1,0,0|2,0,0]=4 11107 B15R1.12256 CC(C)N[C@@H]1CCCCCC[C@@H]1C(=O)O 269956a_200049070474_100000210206 [0,1,0,1,0,0|2,0,0]=4 11108 B15R1.31278 CC1(CC1COCCCCCC(=O)N)C 34a_100000728257_100009817443 [0,1,0,1,0,0|2,0,0]=4 11109 B15R1.31278 CC1(CC1COCCCCCC(=O)N)C 7a_100000728257_100009817443 [0,1,0,1,0,0|2,0,0]=4 11110 B15R1.127 CCCCC(C)OCC1CCCC(=O)N1 34a_200000102386_200011215066 [0,1,0,1,0,0|2,0,0]=4 11111 B15R1.131 CC(=O)CCCCNC1CCCCC1C 34a_100000211402_100009817362 [0,1,0,1,0,0|1,0,0]=3 11112 B15R1.131 CC(=O)CCCCN[C@@H]1CCCC[C@H]1F 34a_100015195156_100009817362 [0,1,0,1,0,0|2,0,0]=4 11113 B15R1.131 CC(=O)CCCCOC1CCCCC1C 34a_100000211207_100009817362 [0,1,0,1,0,0|1,0,0]=3 11114 B15R1.131 CC(=O)CCCCOC1CCCCC1C 7a_100000211207_100000735457 [0,1,0,1,0,0|1,0,0]=3 11115 B15R1.131 CC(=O)CCCCOC1CCCCC1Cl 34a_100000038908_100009817362 [0,1,0,1,0,0|2,0,0]=4 11116 B15R1.131 CC(=O)CCCCOC1CCCCC1Cl 7a_100000038908_100000735457 [0,1,0,1,0,0|2,0,0]=4 11117 B15R1.131 CC(=O)CCCCOC1CCNCC1C 34a_100011998114_100009817362 [0,1,0,1,0,0|2,0,0]=4 11118 B15R1.131 CC(=O)CCCCOC1CNCCC1C 34a_100000696640_100009817362 [0,1,0,1,0,0|2,0,0]=4 11119 B15R1.131 CC(=O)CCCCO[C@@H]1CCCC[C@H]1F 34a_100009816020_100009817362 [0,1,0,1,0,0|2,0,0]=4 11120 B15R1.131 CC(=O)CCCCO[C@@H]1CCCC[C@H]1F 7a_100009816020_100000735457 [0,1,0,1,0,0|2,0,0]=4 11121 B15R1.131 CC(=O)CCCCO[C@H]1CCCC[C@H]1N 34a_100015191688_100009817362 [0,1,0,1,0,0|2,0,0]=4 11122 B15R1.131 CC(=O)CCCCSC1CCCCC1F 62a_100000735457_100015423560 [0,1,0,1,0,0|2,0,0]=4 11123 B15R1.131 CC(=O)CCCCSC1CCCCC1F 62a_100015423560_100000735457 [0,1,0,1,0,0|2,0,0]=4 11124 B15R1.131 CC(=O)CCCCSC1CCCCC1O 62a_100000038908_100000735457 [0,1,0,1,0,0|2,0,0]=4 11125 B15R1.131 CC(=O)CCCCSC1CCCCC1O 62a_100000735457_100000038908 [0,1,0,1,0,0|2,0,0]=4 11126 B15R1.131 CC(=O)CCCNCC1CCCCC1O 34a_100011216029_100000685027 [0,1,0,1,0,0|2,0,0]=4 11127 B15R1.131 CC(=O)CCCNCC1CCCCN1C 34a_100011228421_100000685027 [0,1,0,1,0,0|2,0,0]=4 11128 B15R1.131 CC(=O)CCCOCC1CCCCN1C 34a_100000225079_100000685027 [0,1,0,1,0,0|2,0,0]=4 11129 B15R1.131 CC(=O)CCCOCC1CCCCN1C 34a_100000759063_100015186950 [0,1,0,1,0,0|2,0,0]=4 11130 B15R1.131 CC(=O)CCCOCC1CCCCN1C 7a_100000759063_100015185383 [0,1,0,1,0,0|2,0,0]=4 11131 B15R1.131 CC(=O)CCCSCC1CCCCN1C 62a_100011215641_100015185383 [0,1,0,1,0,0|2,0,0]=4 11132 B15R1.131 CC(=O)CCCSCC1CCCCN1C 62a_100015185383_100011215641 [0,1,0,1,0,0|2,0,0]=4 11133 B15R1.131 CC(=O)CCOCCC1CCCCN1C 34a_100000759926_100000211948 [0,1,0,1,0,0|2,0,0]=4 11134 B15R1.131 CC(=O)CCOCCC1CCCCN1C 7a_100000759926_100000211948 [0,1,0,1,0,0|2,0,0]=4 11135 B15R1.131 CC(=O)CCSCCC1CCCCN1C 62a_100000053229_100000211948 [0,1,0,1,0,0|2,0,0]=4 11136 B15R1.131 CC(=O)CCSCCC1CCCCN1C 62a_100000211948_100000053229 [0,1,0,1,0,0|2,0,0]=4 11137 B15R1.131 CC(=O)NCCCNC1CCCCC1C 269862a_100000736810_100000210921 [0,1,0,1,0,0|2,0,0]=4 11138 B15R1.131 CC(=O)NCCCNC1CCCCC1C 270004a_100000736810_100000210921 [0,1,0,1,0,0|2,0,0]=4 11139 B15R1.131 CC(=O)OCCCCN1CCCCC1C 269982a_100000211376_100000033659 [0,1,0,1,0,0|2,0,0]=4 11140 B15R1.131 CC(=O)OCCCCN1CCCCC1C 34a_100000211376_100000033659 [0,1,0,1,0,0|2,0,0]=4 11141 B15R1.131 CC(=O)OCCCNC1CCCCC1C 34a_100000211402_100000042594 [0,1,0,1,0,0|2,0,0]=4 11142 B15R1.131 CC(=O)OCCCOC1CCCCC1C 34a_100000211207_100000042594 [0,1,0,1,0,0|2,0,0]=4 11143 B15R1.131 CC(=O)OCCCOC1CCCCC1C 7a_100000211207_100000042594 [0,1,0,1,0,0|2,0,0]=4 11144 B15R1.131 CC(=O)SCCCCN1CCCCC1C 2230a_100000211376_200010402107 [0,1,0,1,0,0|2,0,0]=4 11145 B15R1.131 CC(=O)SCCCCN1CCCCC1C 269982a_100000211376_200010402107 [0,1,0,1,0,0|2,0,0]=4 11146 B15R1.131 CC(=O)SCCCCN1CCCCC1C 34a_100000211376_200010402107 [0,1,0,1,0,0|2,0,0]=4 11147 B15R1.131 CC(=O)SCCCNC1CCCCC1C 2230a_100000211402_100000038929 [0,1,0,1,0,0|2,0,0]=4 11148 B15R1.131 CC(=O)SCCCNC1CCCCC1C 34a_100000211402_100000038929 [0,1,0,1,0,0|2,0,0]=4 11149 B15R1.131 CC(=O)SCCCOC1CCCCC1C 34a_100000211207_100000038929 [0,1,0,1,0,0|2,0,0]=4 11150 B15R1.131 CC(=O)SCCCOC1CCCCC1C 7a_100000211207_100000038929 [0,1,0,1,0,0|2,0,0]=4 11151 B15R1.131 CC1CCCCC1NCCCCC(=O)N 269862a_100000696515_100000210921 [0,1,0,1,0,0|1,0,0]=3 11152 B15R1.131 CC1CCCCC1NCCCCC(=O)N 270004a_100000696515_100000210921 [0,1,0,1,0,0|1,0,0]=3 11153 B15R1.131 CC1CCCCC1NCCOCC(=O)N 2230a_100000211402_100000076697 [0,1,0,1,0,0|2,0,0]=4 11154 B15R1.131 CC1CCCCC1NCCOCC(=O)N 34a_100000211402_100000076697 [0,1,0,1,0,0|2,0,0]=4 11155 B15R1.131 CC1CCCCC1OCCOCC(=O)N 34a_100000211207_100000076697 [0,1,0,1,0,0|2,0,0]=4 11156 B15R1.131 CC1CCCCC1OCCOCC(=O)N 7a_100000211207_100000076697 [0,1,0,1,0,0|2,0,0]=4 11157 B15R1.131 CC1CCCCN1CCCCCC(=O)N 2230a_100000211376_100009817443 [0,1,0,1,0,0|1,0,0]=3 11158 B15R1.131 CC1CCCCN1CCCCCC(=O)N 269982a_100000211376_100009817443 [0,1,0,1,0,0|1,0,0]=3 11159 B15R1.131 CC1CCCCN1CCCCCC(=O)N 34a_100000211376_100009817443 [0,1,0,1,0,0|1,0,0]=3 11160 B15R1.131 CC1CCCCN1CCCNCC(=O)N 34a_100000212276_100000187820 [0,1,0,1,0,0|2,0,0]=4 11161 B15R1.131 CC1CCCCN1CCCNCC(=O)[O-] 34a_100000212276_100020667443 [0,1,0,1,0,0|2,0,0]=4 11162 B15R1.131 CC1CCCCN1CCCOCC(=O)N 34a_100000213889_100000187820 [0,1,0,1,0,0|2,0,0]=4 11163 B15R1.131 CC1CCCCN1CCCOCC(=O)N 7a_100000213889_100000187820 [0,1,0,1,0,0|2,0,0]=4 11164 B15R1.131 CC1CCCCN1CCCOCC(=O)[O-] 34a_100000213889_100020667443 [0,1,0,1,0,0|2,0,0]=4 11165 B15R1.131 CC1CCCCN1CCNCCC(=O)N 2230a_100000739827_100000744528 [0,1,0,1,0,0|2,0,0]=4 11166 B15R1.131 CC1CCCCN1CCNCCC(=O)N 34a_100000739827_100000731001 [0,1,0,1,0,0|2,0,0]=4 11167 B15R1.131 CC1CCCCN1CCOCCC(=O)N 34a_100011305533_100000731001 [0,1,0,1,0,0|2,0,0]=4 11168 B15R1.131 CC1CNCCC1NCCCCC(=O)N 270004a_100000696515_100000703950 [0,1,0,1,0,0|2,0,0]=4 11169 B15R1.131 CC1COCCC1NCCCCC(=O)N 270004a_100000696515_100000755695 [0,1,0,1,0,0|2,0,0]=4 11170 B15R1.131 CN1CCCCC1CCOCCC(=O)N 34a_100000757172_100000211948 [0,1,0,1,0,0|2,0,0]=4 11171 B15R1.131 CN1CCCCC1CCOCCC(=O)N 7a_100000757172_100000211948 [0,1,0,1,0,0|2,0,0]=4 11172 B15R1.131 CN1CCCCC1CCSCCC(=O)N 62a_100000211948_100000744528 [0,1,0,1,0,0|2,0,0]=4 11173 B15R1.131 CN1CCCCC1CCSCCC(=O)N 62a_100000744528_100000211948 [0,1,0,1,0,0|2,0,0]=4 11174 B15R1.131 CN1CCCCC1CNCCCC(=O)N 34a_100000739312_100015186950 [0,1,0,1,0,0|2,0,0]=4 11175 B15R1.131 CN1CCCCC1CNCCCC(=O)N 34a_100011228421_100102525003 [0,1,0,1,0,0|2,0,0]=4 11176 B15R1.131 CN1CCCCC1COCCCC(=O)N 34a_100000225079_100102525003 [0,1,0,1,0,0|2,0,0]=4 11177 B15R1.131 CN1CCCCC1CSCCCC(=O)N 62a_100015185383_100102525003 [0,1,0,1,0,0|2,0,0]=4 11178 B15R1.131 CN1CCCCC1CSCCCC(=O)N 62a_100102525003_100015185383 [0,1,0,1,0,0|2,0,0]=4 11179 B15R1.131 C[C@H]1COCCN1CCCCCC(=O)N 2230a_100009815349_100009817443 [0,1,0,1,0,0|2,0,0]=4 11180 B15R1.131 C[C@H]1COCCN1CCCCCC(=O)N 269982a_100009815349_100009817443 [0,1,0,1,0,0|2,0,0]=4 11181 B15R1.131 C[C@H]1COCCN1CCCCCC(=O)N 34a_100009815349_100009817443 [0,1,0,1,0,0|2,0,0]=4 11182 B15R1.131 NC(=O)CCCCNC1CCCCC1F 34a_100000696515_100015423560 [0,1,0,1,0,0|2,0,0]=4 11183 B15R1.131 NC(=O)CCCCNC1CCCCC1O 34a_100000696515_100000038908 [0,1,0,1,0,0|2,0,0]=4 11184 B15R1.131 NC(=O)CCCCOC1CCCCC1F 34a_100012022536_100015423560 [0,1,0,1,0,0|2,0,0]=4 11185 B15R1.131 NC(=O)CCCCOC1CCCCC1O 34a_100012022536_100000038908 [0,1,0,1,0,0|2,0,0]=4 11186 B15R1.131 NC(=O)CCCNCC1CCCCC1O 34a_100011216029_100102525003 [0,1,0,1,0,0|2,0,0]=4 11187 B15R1.156 CCCCC(C)COC[C@@H]1CCC(=O)N1 7a_100011995851_100015189358 [0,1,0,1,0,0|2,0,0]=4 11188 B15R1.504 C=C(Br)CCOCCCC1CCCCC1 34a_100009813270_100011713725 [0,1,0,1,0,0|1,1,0]=4 11189 B15R1.504 C=C(C)CCNCCCC1CCCCC1 2230a_100011211642_100000730704 [0,1,0,1,0,0|2,0,0]=4 11190 B15R1.504 C=C(C)CCNCCCC1CCCCC1 34a_100011211642_100000730704 [0,1,0,1,0,0|2,0,0]=4 11191 B15R1.504 C=C(C)CCOCCCC1CCCCC1 34a_100000198086_100000730704 [0,1,0,1,0,0|2,0,0]=4 11192 B15R1.504 C=C(C)CCOCCCC1CCCCC1 34a_100000764851_100011713725 [0,1,0,1,0,0|2,0,0]=4 11193 B15R1.504 C=C(C)CCOCCCC1CCCCC1 7a_100000198086_100000730704 [0,1,0,1,0,0|2,0,0]=4 11194 B15R1.504 C=C(C)COCCCCC1CCCCC1 34a_100011215267_100000748629 [0,1,0,1,0,0|2,0,0]=4 11195 B15R1.504 C=C(C)COCCCCC1CCCCC1 7a_100011215267_100000748629 [0,1,0,1,0,0|2,0,0]=4 11196 B15R1.504 C=C(F)COCCCCC1CCCCC1 34a_100011215267_100009893438 [0,1,0,1,0,0|1,1,0]=4 11197 B15R1.504 C=C(F)COCCCCC1CCCCC1 7a_100011215267_100000042424 [0,1,0,1,0,0|1,1,0]=4 11198 B15R1.504 CC(=O)CCCCNCC1CCCCC1 34a_100000210473_100009817362 [0,1,0,1,0,0|1,0,0]=3 11199 B15R1.504 CC(=O)CCCCNCC1CCCCO1 34a_100000174945_100009817362 [0,1,0,1,0,0|2,0,0]=4 11200 B15R1.504 CC(=O)CCCCNCC1CCCOC1 34a_100000720124_100009817362 [0,1,0,1,0,0|2,0,0]=4 11201 B15R1.504 CC(=O)CCCCNCC1CCOCC1 34a_100000746373_100009817362 [0,1,0,1,0,0|2,0,0]=4 11202 B15R1.504 CC(=O)CCCCNCC1CCSCC1 34a_100015188806_100009817362 [0,1,0,1,0,0|2,0,0]=4 11203 B15R1.504 CC(=O)CCCCOCC1CCCCC1 34a_100000212181_100009817362 [0,1,0,1,0,0|1,0,0]=3 11204 B15R1.504 CC(=O)CCCCOCC1CCCCC1 7a_100000212181_100000735457 [0,1,0,1,0,0|1,0,0]=3 11205 B15R1.504 CC(=O)CCCCOCC1CCCCN1 34a_100000210821_100009817362 [0,1,0,1,0,0|2,0,0]=4 11206 B15R1.504 CC(=O)CCCCOCC1CCCCO1 34a_100000211370_100009817362 [0,1,0,1,0,0|2,0,0]=4 11207 B15R1.504 CC(=O)CCCCOCC1CCCCO1 7a_100000211370_100000735457 [0,1,0,1,0,0|2,0,0]=4 11208 B15R1.504 CC(=O)CCCCOCC1CCCNC1 34a_100000211344_100009817362 [0,1,0,1,0,0|2,0,0]=4 11209 B15R1.504 CC(=O)CCCCOCC1CCCOC1 34a_100000741520_100009817362 [0,1,0,1,0,0|2,0,0]=4 11210 B15R1.504 CC(=O)CCCCOCC1CCNCC1 34a_100000738675_100009817362 [0,1,0,1,0,0|2,0,0]=4 11211 B15R1.504 CC(=O)CCCCOCC1CCOCC1 34a_100000749013_100009817362 [0,1,0,1,0,0|2,0,0]=4 11212 B15R1.504 CC(=O)CCCCOCC1CCSCC1 34a_100000070558_100009817362 [0,1,0,1,0,0|2,0,0]=4 11213 B15R1.504 CC(=O)CCCCOCC1CCSCC1 7a_100000070558_100000735457 [0,1,0,1,0,0|2,0,0]=4 11214 B15R1.504 CC(=O)CCCCSCC1CCCCC1 62a_100000211423_100000735457 [0,1,0,1,0,0|1,0,0]=3 11215 B15R1.504 CC(=O)CCCCSCC1CCCCC1 62a_100000735457_100000211423 [0,1,0,1,0,0|1,0,0]=3 11216 B15R1.504 CC(=O)CCCCSCC1CCCCO1 62a_100000211543_100000735457 [0,1,0,1,0,0|2,0,0]=4 11217 B15R1.504 CC(=O)CCCCSCC1CCCCO1 62a_100000735457_100000211543 [0,1,0,1,0,0|2,0,0]=4 11218 B15R1.504 CC(=O)CCCCSCC1CCCOC1 62a_100000735457_100000741521 [0,1,0,1,0,0|2,0,0]=4 11219 B15R1.504 CC(=O)CCCCSCC1CCCOC1 62a_100000741521_100000735457 [0,1,0,1,0,0|2,0,0]=4 11220 B15R1.504 CC(=O)CCCCSCC1CCOCC1 62a_100000735457_100000749018 [0,1,0,1,0,0|2,0,0]=4 11221 B15R1.504 CC(=O)CCCCSCC1CCOCC1 62a_100000754603_100000735457 [0,1,0,1,0,0|2,0,0]=4 11222 B15R1.504 CC(=O)CCCNCCC1CCCCC1 34a_100000738074_100000685027 [0,1,0,1,0,0|1,0,0]=3 11223 B15R1.504 CC(=O)CCCNCCC1CCCCO1 34a_100015183643_100000685027 [0,1,0,1,0,0|2,0,0]=4 11224 B15R1.504 CC(=O)CCCNCCC1CCOCC1 34a_100000755988_100000685027 [0,1,0,1,0,0|2,0,0]=4 11225 B15R1.504 CC(=O)CCCOCCC1CCCCC1 34a_100000759063_100011209188 [0,1,0,1,0,0|1,0,0]=3 11226 B15R1.504 CC(=O)CCCOCCC1CCCCC1 34a_100011217863_100000685027 [0,1,0,1,0,0|1,0,0]=3 11227 B15R1.504 CC(=O)CCCOCCC1CCCCC1 7a_100000759063_100011273959 [0,1,0,1,0,0|1,0,0]=3 11228 B15R1.504 CC(=O)CCCOCCC1CCCCC1 7a_100011217863_100011215641 [0,1,0,1,0,0|1,0,0]=3 11229 B15R1.504 CC(=O)CCCOCCC1CCCCN1 34a_100000211664_100000685027 [0,1,0,1,0,0|2,0,0]=4 11230 B15R1.504 CC(=O)CCCOCCC1CCCNC1 34a_100000752241_100000685027 [0,1,0,1,0,0|2,0,0]=4 11231 B15R1.504 CC(=O)CCCOCCC1CCNCC1 34a_100015190746_100000685027 [0,1,0,1,0,0|2,0,0]=4 11232 B15R1.504 CC(=O)CCCOCCC1CCOCC1 34a_100000759063_100011934994 [0,1,0,1,0,0|2,0,0]=4 11233 B15R1.504 CC(=O)CCCOCCC1CCOCC1 34a_100011933979_100000685027 [0,1,0,1,0,0|2,0,0]=4 11234 B15R1.504 CC(=O)CCCOCCC1CCOCC1 7a_100000759063_100011934994 [0,1,0,1,0,0|2,0,0]=4 11235 B15R1.504 CC(=O)CCCOCCC1CCOCC1 7a_100011933979_100011215641 [0,1,0,1,0,0|2,0,0]=4 11236 B15R1.504 CC(=O)CCCOCCN1CCCCC1 34a_100000759063_100000739454 [0,1,0,1,0,0|2,0,0]=4 11237 B15R1.504 CC(=O)CCCOCCN1CCCCC1 7a_100000759063_100000739454 [0,1,0,1,0,0|2,0,0]=4 11238 B15R1.504 CC(=O)CCCOCOC1CCCCC1 34a_100000759063_100011935260 [0,1,0,1,0,0|2,0,0]=4 11239 B15R1.504 CC(=O)CCCOCOC1CCCCC1 7a_100000759063_100011935260 [0,1,0,1,0,0|2,0,0]=4 11240 B15R1.504 CC(=O)CCCSCCC1CCCCC1 62a_100011215641_100012355289 [0,1,0,1,0,0|1,0,0]=3 11241 B15R1.504 CC(=O)CCCSCCC1CCCCC1 62a_100012355289_100011215641 [0,1,0,1,0,0|1,0,0]=3 11242 B15R1.504 CC(=O)CCCSCCC1CCOCC1 62a_100011215641_100011934994 [0,1,0,1,0,0|2,0,0]=4 11243 B15R1.504 CC(=O)CCCSCCC1CCOCC1 62a_100011934994_100011215641 [0,1,0,1,0,0|2,0,0]=4 11244 B15R1.504 CC(=O)CCCSCCN1CCCCC1 62a_100000739454_100011215641 [0,1,0,1,0,0|2,0,0]=4 11245 B15R1.504 CC(=O)CCCSCCN1CCCCC1 62a_100011215641_100000739454 [0,1,0,1,0,0|2,0,0]=4 11246 B15R1.504 CC(=O)CCCSCOC1CCCCC1 62a_100011215641_100011935260 [0,1,0,1,0,0|2,0,0]=4 11247 B15R1.504 CC(=O)CCCSCOC1CCCCC1 62a_100011935260_100011215641 [0,1,0,1,0,0|2,0,0]=4 11248 B15R1.504 CC(=O)CCOCCCC1CCCCC1 34a_100000759926_100011713725 [0,1,0,1,0,0|1,0,0]=3 11249 B15R1.504 CC(=O)CCOCCCC1CCCCC1 7a_100000198086_100000053229 [0,1,0,1,0,0|1,0,0]=3 11250 B15R1.504 CC(=O)CCOCCCC1CCCCC1 7a_100000759926_100011713725 [0,1,0,1,0,0|1,0,0]=3 11251 B15R1.504 CC(=O)CCOCCCN1CCCCC1 34a_100000759926_100000690320 [0,1,0,1,0,0|2,0,0]=4 11252 B15R1.504 CC(=O)CCOCCCN1CCCCC1 7a_100000759926_100000007876 [0,1,0,1,0,0|2,0,0]=4 11253 B15R1.504 CC(=O)CCOCCOC1CCCCC1 34a_100000759926_100011211530 [0,1,0,1,0,0|2,0,0]=4 11254 B15R1.504 CC(=O)CCOCCOC1CCCCC1 7a_100000759926_100011211530 [0,1,0,1,0,0|2,0,0]=4 11255 B15R1.504 CC(=O)CCOCCOC1CCCCC1 7a_100011249652_100000053229 [0,1,0,1,0,0|2,0,0]=4 11256 B15R1.504 CC(=O)CCSCCCC1CCCCC1 62a_100000053229_100011713725 [0,1,0,1,0,0|1,0,0]=3 11257 B15R1.504 CC(=O)CCSCCCC1CCCCC1 62a_100011713725_100000053229 [0,1,0,1,0,0|1,0,0]=3 11258 B15R1.504 CC(=O)CCSCCCN1CCCCC1 62a_100000053229_100000007876 [0,1,0,1,0,0|2,0,0]=4 11259 B15R1.504 CC(=O)CCSCCCN1CCCCC1 62a_100132302099_100000053229 [0,1,0,1,0,0|2,0,0]=4 11260 B15R1.504 CC(=O)CCSCCOC1CCCCC1 62a_100000053229_100011211530 [0,1,0,1,0,0|2,0,0]=4 11261 B15R1.504 CC(=O)CCSCCOC1CCCCC1 62a_100011211530_100000053229 [0,1,0,1,0,0|2,0,0]=4 11262 B15R1.504 CC(=O)NCCCCCN1CCCCC1 240690a_100000754421_100015343762 [0,1,0,1,0,0|2,0,0]=4 11263 B15R1.504 CC(=O)NCCCCCN1CCCCC1 527a_100000754421_100103153847 [0,1,0,1,0,0|2,0,0]=4 11264 B15R1.504 CC(=O)NCCCCNC1CCCCC1 270004a_200011368371_100000210434 [0,1,0,1,0,0|2,0,0]=4 11265 B15R1.504 CC(=O)NCCCCNC1CCCCC1 34a_200011368371_100000210327 [0,1,0,1,0,0|2,0,0]=4 11266 B15R1.504 CC(=O)NCCCNCC1CCCCC1 269862a_100000736810_100000211278 [0,1,0,1,0,0|2,0,0]=4 11267 B15R1.504 CC(=O)NCCCNCC1CCCCC1 34a_100000736810_100000211423 [0,1,0,1,0,0|2,0,0]=4 11268 B15R1.504 CC(=O)NCCCOCC1CCCCC1 34a_100000752032_100000211423 [0,1,0,1,0,0|2,0,0]=4 11269 B15R1.504 CC(=O)NCCNCCC1CCCCC1 2230a_100000209853_100012355289 [0,1,0,1,0,0|2,0,0]=4 11270 B15R1.504 CC(=O)NCCNCCC1CCCCC1 2230a_100000738074_100000189650 [0,1,0,1,0,0|2,0,0]=4 11271 B15R1.504 CC(=O)NCCOCCC1CCCCC1 34a_100000158858_100011209188 [0,1,0,1,0,0|2,0,0]=4 11272 B15R1.504 CC(=O)NCCOCCC1CCCCC1 7a_100011217863_100000189650 [0,1,0,1,0,0|2,0,0]=4 11273 B15R1.504 CC(=O)NCCSCCC1CCCCC1 62a_100000189650_100012355289 [0,1,0,1,0,0|2,0,0]=4 11274 B15R1.504 CC(=O)NCCSCCC1CCCCC1 62a_100012355289_100000189650 [0,1,0,1,0,0|2,0,0]=4 11275 B15R1.504 CC(=O)OCCCCNC1CCCCC1 34a_100000182618_100000033659 [0,1,0,1,0,0|2,0,0]=4 11276 B15R1.504 CC(=O)OCCCCOC1CCCCC1 34a_100000073216_100000210327 [0,1,0,1,0,0|2,0,0]=4 11277 B15R1.504 CC(=O)OCCCCOC1CCCCC1 34a_100000210231_100000033659 [0,1,0,1,0,0|2,0,0]=4 11278 B15R1.504 CC(=O)OCCCCOC1CCCCC1 7a_100000073216_100000210327 [0,1,0,1,0,0|2,0,0]=4 11279 B15R1.504 CC(=O)OCCCCOC1CCCCC1 7a_100000210231_100000033659 [0,1,0,1,0,0|2,0,0]=4 11280 B15R1.504 CC(=O)OCCCCSC1CCCCC1 62a_100000033659_100000210327 [0,1,0,1,0,0|2,0,0]=4 11281 B15R1.504 CC(=O)OCCCCSC1CCCCC1 62a_100000210327_100000033659 [0,1,0,1,0,0|2,0,0]=4 11282 B15R1.504 CC(=O)OCCCNCC1CCCCC1 34a_100000210473_100000042594 [0,1,0,1,0,0|2,0,0]=4 11283 B15R1.504 CC(=O)OCCCOCC1CCCCC1 34a_100000212181_100000042594 [0,1,0,1,0,0|2,0,0]=4 11284 B15R1.504 CC(=O)OCCCOCC1CCCCC1 7a_100000212181_100000042594 [0,1,0,1,0,0|2,0,0]=4 11285 B15R1.504 CC(=O)OCCCSCC1CCCCC1 62a_100000042594_100000211423 [0,1,0,1,0,0|2,0,0]=4 11286 B15R1.504 CC(=O)OCCCSCC1CCCCC1 62a_100000211423_100000042594 [0,1,0,1,0,0|2,0,0]=4 11287 B15R1.504 CC(=O)OCCNCCC1CCCCC1 34a_100000738074_100009814007 [0,1,0,1,0,0|2,0,0]=4 11288 B15R1.504 CC(=O)OCCOCCC1CCCCC1 34a_100011217863_100009814007 [0,1,0,1,0,0|2,0,0]=4 11289 B15R1.504 CC(=O)OCCOCCC1CCCCC1 7a_100011217863_100009814007 [0,1,0,1,0,0|2,0,0]=4 11290 B15R1.504 CC(=O)OCCSCCC1CCCCC1 62a_100009814007_100012355289 [0,1,0,1,0,0|2,0,0]=4 11291 B15R1.504 CC(=O)OCCSCCC1CCCCC1 62a_100012355289_100009814007 [0,1,0,1,0,0|2,0,0]=4 11292 B15R1.504 CC(=O)OCNCCCC1CCCCC1 34a_100011211642_100009813279 [0,1,0,1,0,0|2,0,0]=4 11293 B15R1.504 CC(=O)OCOCCCC1CCCCC1 34a_100000198086_100009813279 [0,1,0,1,0,0|2,0,0]=4 11294 B15R1.504 CC(=O)OCSCCCC1CCCCC1 62a_100000076356_100011713725 [0,1,0,1,0,0|2,0,0]=4 11295 B15R1.504 CC(=O)OCSCCCC1CCCCC1 62a_100011713725_100000076356 [0,1,0,1,0,0|2,0,0]=4 11296 B15R1.504 CC(=O)SCCCCNC1CCCCC1 2230a_100000182618_200010402107 [0,1,0,1,0,0|2,0,0]=4 11297 B15R1.504 CC(=O)SCCCCNC1CCCCC1 34a_100000182618_200010402107 [0,1,0,1,0,0|2,0,0]=4 11298 B15R1.504 CC(=O)SCCCCOC1CCCCC1 34a_100000210231_200010402107 [0,1,0,1,0,0|2,0,0]=4 11299 B15R1.504 CC(=O)SCCCCOC1CCCCC1 7a_100000210231_200010402107 [0,1,0,1,0,0|2,0,0]=4 11300 B15R1.504 CC(=O)SCCCCSC1CCCCC1 62a_100000210327_200010402107 [0,1,0,1,0,0|2,0,0]=4 11301 B15R1.504 CC(=O)SCCCCSC1CCCCC1 62a_200010402107_100000210327 [0,1,0,1,0,0|2,0,0]=4 11302 B15R1.504 CC(=O)SCCCNCC1CCCCC1 2230a_100000210473_100000038929 [0,1,0,1,0,0|2,0,0]=4 11303 B15R1.504 CC(=O)SCCCNCC1CCCCC1 34a_100000210473_100000038929 [0,1,0,1,0,0|2,0,0]=4 11304 B15R1.504 CC(=O)SCCCOCC1CCCCC1 34a_100000212181_100000038929 [0,1,0,1,0,0|2,0,0]=4 11305 B15R1.504 CC(=O)SCCCOCC1CCCCC1 7a_100000212181_100000038929 [0,1,0,1,0,0|2,0,0]=4 11306 B15R1.504 CC(=O)SCCCSCC1CCCCC1 62a_100000038929_100000211423 [0,1,0,1,0,0|2,0,0]=4 11307 B15R1.504 CC(=O)SCCCSCC1CCCCC1 62a_100000211423_100000038929 [0,1,0,1,0,0|2,0,0]=4 11308 B15R1.504 CS(=O)CCCNCCC1CCCCC1 2230a_200000753449_100012355289 [0,1,0,1,0,0|2,0,0]=4 11309 B15R1.504 CS(=O)CCCNCCC1CCCCC1 270004a_200000753449_100011713444 [0,1,0,1,0,0|2,0,0]=4 11310 B15R1.504 NC(=O)CCCCCNC1CCCCC1 2230a_100000182618_100009817443 [0,1,0,1,0,0|1,0,0]=3 11311 B15R1.504 NC(=O)CCCCCNC1CCCCC1 34a_100000182618_100009817443 [0,1,0,1,0,0|1,0,0]=3 11312 B15R1.504 NC(=O)CCCCCNC1CCCOC1 2230a_100000719290_100009817443 [0,1,0,1,0,0|2,0,0]=4 11313 B15R1.504 NC(=O)CCCCCNC1CCCOC1 34a_100000719290_100009817443 [0,1,0,1,0,0|2,0,0]=4 11314 B15R1.504 NC(=O)CCCCCNC1CCOCC1 2230a_100000741149_100009817443 [0,1,0,1,0,0|2,0,0]=4 11315 B15R1.504 NC(=O)CCCCCNC1CCOCC1 34a_100000741149_100009817443 [0,1,0,1,0,0|2,0,0]=4 11316 B15R1.504 NC(=O)CCCCCNC1CCSCC1 2230a_100000748639_100009817443 [0,1,0,1,0,0|2,0,0]=4 11317 B15R1.504 NC(=O)CCCCCNC1CCSCC1 34a_100000748639_100009817443 [0,1,0,1,0,0|2,0,0]=4 11318 B15R1.504 NC(=O)CCCCCOC1CCCCC1 34a_100000123541_100000210327 [0,1,0,1,0,0|1,0,0]=3 11319 B15R1.504 NC(=O)CCCCCOC1CCCCC1 34a_100000210231_100009817443 [0,1,0,1,0,0|1,0,0]=3 11320 B15R1.504 NC(=O)CCCCCOC1CCCCC1 7a_100000123541_100000210327 [0,1,0,1,0,0|1,0,0]=3 11321 B15R1.504 NC(=O)CCCCCOC1CCCCC1 7a_100000210231_100009817443 [0,1,0,1,0,0|1,0,0]=3 11322 B15R1.504 NC(=O)CCCCCOC1CCCCO1 34a_100000033831_100009817443 [0,1,0,1,0,0|2,0,0]=4 11323 B15R1.504 NC(=O)CCCCCOC1CCCOC1 34a_100000123541_100000693364 [0,1,0,1,0,0|2,0,0]=4 11324 B15R1.504 NC(=O)CCCCCOC1CCCOC1 34a_100000754041_100009817443 [0,1,0,1,0,0|2,0,0]=4 11325 B15R1.504 NC(=O)CCCCCOC1CCCOC1 7a_100000123541_100000693364 [0,1,0,1,0,0|2,0,0]=4 11326 B15R1.504 NC(=O)CCCCCOC1CCCSC1 7a_100015962668_100009817443 [0,1,0,1,0,0|2,0,0]=4 11327 B15R1.504 NC(=O)CCCCCOC1CCOCC1 34a_100000744328_100009817443 [0,1,0,1,0,0|2,0,0]=4 11328 B15R1.504 NC(=O)CCCCCOC1CCOCC1 7a_100000123541_100000686592 [0,1,0,1,0,0|2,0,0]=4 11329 B15R1.504 NC(=O)CCCCCOC1CCSCC1 34a_100000123541_100000069128 [0,1,0,1,0,0|2,0,0]=4 11330 B15R1.504 NC(=O)CCCCCOC1CCSCC1 34a_100000731022_100009817443 [0,1,0,1,0,0|2,0,0]=4 11331 B15R1.504 NC(=O)CCCCCOC1CCSCC1 7a_100000123541_100011500858 [0,1,0,1,0,0|2,0,0]=4 11332 B15R1.504 NC(=O)CCCCCOC1CCSCC1 7a_100000731022_100009817443 [0,1,0,1,0,0|2,0,0]=4 11333 B15R1.504 NC(=O)CCCCCSC1CCCCC1 62a_100000210327_100009817443 [0,1,0,1,0,0|1,0,0]=3 11334 B15R1.504 NC(=O)CCCCCSC1CCCCC1 62a_100009817443_100000210327 [0,1,0,1,0,0|1,0,0]=3 11335 B15R1.504 NC(=O)CCCCCSC1CCCOC1 62a_100009817443_100000693364 [0,1,0,1,0,0|2,0,0]=4 11336 B15R1.504 NC(=O)CCCCCSC1CCOCC1 62a_100009817443_100011324220 [0,1,0,1,0,0|2,0,0]=4 11337 B15R1.504 NC(=O)CCCCCSC1CCSCC1 62a_100009817443_100000069128 [0,1,0,1,0,0|2,0,0]=4 11338 B15R1.504 NC(=O)CCCCNCC1CCCCC1 269862a_100000696515_100000211278 [0,1,0,1,0,0|1,0,0]=3 11339 B15R1.504 NC(=O)CCCCNCC1CCCCC1 34a_100000696515_100000211423 [0,1,0,1,0,0|1,0,0]=3 11340 B15R1.504 NC(=O)CCCCNCC1CCCCO1 34a_100000696515_100000211543 [0,1,0,1,0,0|2,0,0]=4 11341 B15R1.504 NC(=O)CCCCNCC1CCCOC1 34a_100000696515_100000741521 [0,1,0,1,0,0|2,0,0]=4 11342 B15R1.504 NC(=O)CCCCNCC1CCOCC1 269862a_100000696515_100000749017 [0,1,0,1,0,0|2,0,0]=4 11343 B15R1.504 NC(=O)CCCCNCC1CCOCC1 34a_100000696515_100000754603 [0,1,0,1,0,0|2,0,0]=4 11344 B15R1.504 NC(=O)CCCCNCC1CCSCC1 269862a_100000696515_100000067145 [0,1,0,1,0,0|2,0,0]=4 11345 B15R1.504 NC(=O)CCCCNCC1CCSCC1 270004a_100000696515_100000067145 [0,1,0,1,0,0|2,0,0]=4 11346 B15R1.504 NC(=O)CCCCOCC1CCCCC1 34a_100012022536_100000211423 [0,1,0,1,0,0|1,0,0]=3 11347 B15R1.504 NC(=O)CCCCOCC1CCCCC1 7a_100012022536_100000211423 [0,1,0,1,0,0|1,0,0]=3 11348 B15R1.504 NC(=O)CCCCOCC1CCCCO1 34a_100012022536_100000211543 [0,1,0,1,0,0|2,0,0]=4 11349 B15R1.504 NC(=O)CCCCOCC1CCCCO1 7a_100012022536_100000211543 [0,1,0,1,0,0|2,0,0]=4 11350 B15R1.504 NC(=O)CCCCOCC1CCCOC1 34a_100012022536_100000741521 [0,1,0,1,0,0|2,0,0]=4 11351 B15R1.504 NC(=O)CCCCOCC1CCCOC1 7a_100012022536_100000741521 [0,1,0,1,0,0|2,0,0]=4 11352 B15R1.504 NC(=O)CCCCOCC1CCOCC1 34a_100012022536_100000754603 [0,1,0,1,0,0|2,0,0]=4 11353 B15R1.504 NC(=O)CCCCOCC1CCOCC1 7a_100012022536_100000754603 [0,1,0,1,0,0|2,0,0]=4 11354 B15R1.504 NC(=O)CCCNCCC1CCCCC1 34a_100000738074_100102525003 [0,1,0,1,0,0|1,0,0]=3 11355 B15R1.504 NC(=O)CCCNCCC1CCCCC1 34a_100000739312_100011209188 [0,1,0,1,0,0|1,0,0]=3 11356 B15R1.504 NC(=O)CCCNCCC1CCCCO1 34a_100015183643_100102525003 [0,1,0,1,0,0|2,0,0]=4 11357 B15R1.504 NC(=O)CCCNCCC1CCOCC1 34a_100000739312_100011934994 [0,1,0,1,0,0|2,0,0]=4 11358 B15R1.504 NC(=O)CCCNCCC1CCOCC1 34a_100000755988_100102525003 [0,1,0,1,0,0|2,0,0]=4 11359 B15R1.504 NC(=O)CCCNCCN1CCCCC1 34a_100000739312_100000739454 [0,1,0,1,0,0|2,0,0]=4 11360 B15R1.504 NC(=O)CCCNCOC1CCCCC1 34a_100000739312_100011935260 [0,1,0,1,0,0|2,0,0]=4 11361 B15R1.504 NC(=O)CCCOCCC1CCCCC1 34a_100011217863_100102525003 [0,1,0,1,0,0|1,0,0]=3 11362 B15R1.504 NC(=O)CCCOCCC1CCCCC1 7a_100011217863_100102525003 [0,1,0,1,0,0|1,0,0]=3 11363 B15R1.504 NC(=O)CCCOCCC1CCCCN1 34a_100000211664_100102525003 [0,1,0,1,0,0|2,0,0]=4 11364 B15R1.504 NC(=O)CCCOCCC1CCCNC1 34a_100000752241_100102525003 [0,1,0,1,0,0|2,0,0]=4 11365 B15R1.504 NC(=O)CCCOCCC1CCNCC1 34a_100015190746_100102525003 [0,1,0,1,0,0|2,0,0]=4 11366 B15R1.504 NC(=O)CCCOCCC1CCOCC1 34a_100011933979_100102525003 [0,1,0,1,0,0|2,0,0]=4 11367 B15R1.504 NC(=O)CCCOCCC1CCOCC1 7a_100011933979_100102525003 [0,1,0,1,0,0|2,0,0]=4 11368 B15R1.504 NC(=O)CCCSCCC1CCCCC1 62a_100012355289_100102525003 [0,1,0,1,0,0|1,0,0]=3 11369 B15R1.504 NC(=O)CCCSCCC1CCCCC1 62a_100102525003_100012355289 [0,1,0,1,0,0|1,0,0]=3 11370 B15R1.504 NC(=O)CCCSCCC1CCOCC1 62a_100011934994_100102525003 [0,1,0,1,0,0|2,0,0]=4 11371 B15R1.504 NC(=O)CCCSCCC1CCOCC1 62a_100102525003_100011934994 [0,1,0,1,0,0|2,0,0]=4 11372 B15R1.504 NC(=O)CCCSCCN1CCCCC1 62a_100000739454_100102525003 [0,1,0,1,0,0|2,0,0]=4 11373 B15R1.504 NC(=O)CCCSCCN1CCCCC1 62a_100102525003_100000739454 [0,1,0,1,0,0|2,0,0]=4 11374 B15R1.504 NC(=O)CCCSCOC1CCCCC1 62a_100011935260_100102525003 [0,1,0,1,0,0|2,0,0]=4 11375 B15R1.504 NC(=O)CCCSCOC1CCCCC1 62a_100102525003_100011935260 [0,1,0,1,0,0|2,0,0]=4 11376 B15R1.504 NC(=O)CCNCCCC1CCCCC1 2230a_100011211642_100000744528 [0,1,0,1,0,0|1,0,0]=3 11377 B15R1.504 NC(=O)CCNCCCC1CCCCC1 34a_100011211642_100000731001 [0,1,0,1,0,0|1,0,0]=3 11378 B15R1.504 NC(=O)CCNCCOC1CCCCC1 34a_100015206981_100000731001 [0,1,0,1,0,0|2,0,0]=4 11379 B15R1.504 NC(=O)CCOCCCC1CCCCC1 34a_100000198086_100000731001 [0,1,0,1,0,0|1,0,0]=3 11380 B15R1.504 NC(=O)CCOCCCC1CCCCC1 34a_100000757172_100011713725 [0,1,0,1,0,0|1,0,0]=3 11381 B15R1.504 NC(=O)CCOCCCC1CCCCC1 7a_100000198086_100000744528 [0,1,0,1,0,0|1,0,0]=3 11382 B15R1.504 NC(=O)CCOCCCC1CCCCC1 7a_100000757172_100011713725 [0,1,0,1,0,0|1,0,0]=3 11383 B15R1.504 NC(=O)CCOCCCC1CCCCN1 34a_100011934581_100000731001 [0,1,0,1,0,0|2,0,0]=4 11384 B15R1.504 NC(=O)CCOCCCC1CCCNC1 34a_100150707839_100000731001 [0,1,0,1,0,0|2,0,0]=4 11385 B15R1.504 NC(=O)CCOCCCC1CCNCC1 34a_100016988962_100000731001 [0,1,0,1,0,0|2,0,0]=4 11386 B15R1.504 NC(=O)CCOCCCN1CCCCC1 34a_100000212458_100000731001 [0,1,0,1,0,0|2,0,0]=4 11387 B15R1.504 NC(=O)CCOCCCN1CCCCC1 34a_100000757172_100000690320 [0,1,0,1,0,0|2,0,0]=4 11388 B15R1.504 NC(=O)CCOCCCN1CCCCC1 7a_100000757172_100000007876 [0,1,0,1,0,0|2,0,0]=4 11389 B15R1.504 NC(=O)CCOCCNC1CCCCC1 34a_100000200466_100000731001 [0,1,0,1,0,0|2,0,0]=4 11390 B15R1.504 NC(=O)CCOCCOC1CCCCC1 34a_100000757172_100011211530 [0,1,0,1,0,0|2,0,0]=4 11391 B15R1.504 NC(=O)CCOCCOC1CCCCC1 34a_100011249652_100000731001 [0,1,0,1,0,0|2,0,0]=4 11392 B15R1.504 NC(=O)CCOCCOC1CCCCC1 7a_100000757172_100011211530 [0,1,0,1,0,0|2,0,0]=4 11393 B15R1.504 NC(=O)CCOCCOC1CCCCC1 7a_100011249652_100000744528 [0,1,0,1,0,0|2,0,0]=4 11394 B15R1.504 NC(=O)CCSCCCC1CCCCC1 62a_100000744528_100011713725 [0,1,0,1,0,0|1,0,0]=3 11395 B15R1.504 NC(=O)CCSCCCC1CCCCC1 62a_100011713725_100000744528 [0,1,0,1,0,0|1,0,0]=3 11396 B15R1.504 NC(=O)CCSCCCN1CCCCC1 62a_100000744528_100000007876 [0,1,0,1,0,0|2,0,0]=4 11397 B15R1.504 NC(=O)CCSCCCN1CCCCC1 62a_100132302099_100000744528 [0,1,0,1,0,0|2,0,0]=4 11398 B15R1.504 NC(=O)CCSCCOC1CCCCC1 62a_100000744528_100011211530 [0,1,0,1,0,0|2,0,0]=4 11399 B15R1.504 NC(=O)CCSCCOC1CCCCC1 62a_100011211530_100000744528 [0,1,0,1,0,0|2,0,0]=4 11400 B15R1.504 NC(=O)CNCCCOC1CCCCC1 34a_100000205933_100000187820 [0,1,0,1,0,0|2,0,0]=4 11401 B15R1.504 NC(=O)COCCCCC1CCCCC1 34a_100011215267_100000187820 [0,1,0,1,0,0|1,0,0]=3 11402 B15R1.504 NC(=O)COCCCCC1CCCCC1 7a_100011215267_100000187820 [0,1,0,1,0,0|1,0,0]=3 11403 B15R1.504 NC(=O)COCCCCC1CCNCC1 34a_100016989291_100000187820 [0,1,0,1,0,0|2,0,0]=4 11404 B15R1.504 NC(=O)COCCNCC1CCCCC1 2230a_100000210473_100000076697 [0,1,0,1,0,0|2,0,0]=4 11405 B15R1.504 NC(=O)COCCNCC1CCCCC1 34a_100000210473_100000076697 [0,1,0,1,0,0|2,0,0]=4 11406 B15R1.504 NC(=O)COCCOCC1CCCCC1 34a_100000212181_100000076697 [0,1,0,1,0,0|2,0,0]=4 11407 B15R1.504 NC(=O)COCCOCC1CCCCC1 7a_100000212181_100000076697 [0,1,0,1,0,0|2,0,0]=4 11408 B15R1.504 NC(=O)COCCSCC1CCCCC1 62a_100000076697_100000211423 [0,1,0,1,0,0|2,0,0]=4 11409 B15R1.504 NC(=O)COCCSCC1CCCCC1 62a_100000211423_100000076697 [0,1,0,1,0,0|2,0,0]=4 11410 B15R1.504 NC(=O)NCCNCCC1CCCCC1 2230a_100000738074_200000034859 [0,1,0,1,0,0|2,0,0]=4 11411 B15R1.504 NC(=O)NCCNCCC1CCCCC1 34a_100020590234_100011209188 [0,1,0,1,0,0|2,0,0]=4 11412 B15R1.504 NC(=O)NCCOCCC1CCCCC1 34a_100000181757_100011209188 [0,1,0,1,0,0|2,0,0]=4 11413 B15R1.504 NC(=O)NCCOCCC1CCCCC1 7a_100011217863_200000034859 [0,1,0,1,0,0|2,0,0]=4 11414 B15R1.504 NC(=O)NCCSCCC1CCCCC1 62a_100012355289_200000034859 [0,1,0,1,0,0|2,0,0]=4 11415 B15R1.504 NC(=O)NCCSCCC1CCCCC1 62a_200000034859_100012355289 [0,1,0,1,0,0|2,0,0]=4 11416 B15R1.504 NC(=O)OCCNCCC1CCCCC1 34a_100000738074_200011214921 [0,1,0,1,0,0|2,0,0]=4 11417 B15R1.504 NC(=O)OCCOCCC1CCCCC1 34a_100011217863_200011214921 [0,1,0,1,0,0|2,0,0]=4 11418 B15R1.504 NC(=O)OCCOCCC1CCCCC1 7a_100000766696_100011273959 [0,1,0,1,0,0|2,0,0]=4 11419 B15R1.504 NC(=O)OCCOCCC1CCCCC1 7a_100011217863_200011214921 [0,1,0,1,0,0|2,0,0]=4 11420 B15R1.504 NC(=O)OCCSCCC1CCCCC1 62a_100012355289_200011214921 [0,1,0,1,0,0|2,0,0]=4 11421 B15R1.504 NC(=O)OCCSCCC1CCCCC1 62a_200011214921_100012355289 [0,1,0,1,0,0|2,0,0]=4 11422 B15R1.504 O=C(O)COCCNCC1CCCCC1 269956a_100000700818_100000211423 [0,1,0,1,0,0|2,0,0]=4 11423 B15R1.504 O=C(O)CONCCCC1CCCCC1 269956a_100000106656_100011713725 [0,1,0,1,0,0|2,0,0]=4 11424 B15R1.504 O=C([O-])CCCCCOC1CCCCC1 7a_100102619762_100000210327 [0,1,0,1,0,0|1,0,0]=3 11425 B15R1.504 O=C([O-])CCCCCOC1CCCOC1 7a_100102619762_100000693364 [0,1,0,1,0,0|2,0,0]=4 11426 B15R1.504 O=C([O-])CCCCCOC1CCOCC1 7a_100102619762_100000686592 [0,1,0,1,0,0|2,0,0]=4 11427 B15R1.504 O=C([O-])CCCCCOC1CCSCC1 7a_100102619762_100011500858 [0,1,0,1,0,0|2,0,0]=4 11428 B15R1.504 O=C([O-])CNCCCOC1CCCCC1 34a_100000205933_100020667443 [0,1,0,1,0,0|2,0,0]=4 11429 B15R1.504 O=C([O-])COCCCCC1CCCCC1 34a_100011215267_100020667443 [0,1,0,1,0,0|1,0,0]=3 11430 B15R1.504 O=C([O-])COCCCCC1CCNCC1 34a_100016989291_100020667443 [0,1,0,1,0,0|2,0,0]=4 11431 B15R1.504 O=[N+]([O-])CCCCOCC1CCCCC1 34a_200015379883_100000211423 [0,1,0,1,0,0|2,0,0]=4 11432 B15R1.504 O=[N+]([O-])CCCCOCC1CCCCC1 7a_200015379883_100000211423 [0,1,0,1,0,0|2,0,0]=4 11433 B15R1.504 O=[N+]([O-])CCCOCCC1CCCCC1 34a_200000037920_100011209188 [0,1,0,1,0,0|2,0,0]=4 11434 B15R1.504 O=[N+]([O-])COCCCCC1CCCCC1 34a_100011215267_100000761209 [0,1,0,1,0,0|2,0,0]=4 11435 B15R1.1036 CCCCN1CCCC(C1)CCC(=O)N 2230a_100011533967_100000210211 [0,1,0,1,0,0|2,0,0]=4 11436 B15R1.1036 CCCCN1CCCC(C1)CCC(=O)N 269982a_100011533967_100000210211 [0,1,0,1,0,0|2,0,0]=4 11437 B15R1.1036 CCCCN1CCCC(C1)CCC(=O)N 34a_100011533967_100000210210 [0,1,0,1,0,0|2,0,0]=4 11438 B15R1.1239 CCCCC(=O)[C@@H]1CCCC[C@H]1C(=O)N 1458a_200009911122_100000210211 [0,1,0,1,0,0|1,0,1]=4 11439 B15R1.1239 CCCCC(C)N1CCCCC1C(=O)N 2230a_100000181395_200011215066 [0,1,0,1,0,0|2,0,0]=4 11440 B15R1.1239 CCCCC(C)N1CCCCC1C(=O)N 269982a_100000181395_200011215066 [0,1,0,1,0,0|2,0,0]=4 11441 B15R1.1239 CCCCC(C)N1CCCCC1C(=O)N 270004a_100000181395_100000210087 [0,1,0,1,0,0|2,0,0]=4 11442 B15R1.1239 CCCCC(C)N1CCCCC1C(=O)N 34a_100000181395_200011215066 [0,1,0,1,0,0|2,0,0]=4 11443 B15R1.1239 CCCCC(C)N1CCCC[C@@H]1C(=O)O 269956a_100000763471_200011215066 [0,1,0,1,0,0|2,0,0]=4 11444 B15R1.8448 CC(=O)CCCOC1CC(CCC1C)C 34a_100011217446_100000685027 [0,1,0,1,0,0|2,0,0]=4 11445 B15R1.8448 CC(=O)CCCOC1CC(CCC1C)C 7a_100011217446_100011215641 [0,1,0,1,0,0|2,0,0]=4 11446 B15R1.8448 CC1CCC(C(C1)NCCCC(=O)N)C 269862a_100000739312_100000034887 [0,1,0,1,0,0|2,0,0]=4 11447 B15R1.8448 CC1CCC(C(C1)OCCCC(=O)N)C 34a_100011217446_100102525003 [0,1,0,1,0,0|2,0,0]=4 11448 B15R1.8448 CC1CCC(C(C1)OCCCC(=O)N)C 7a_100011217446_100102525003 [0,1,0,1,0,0|2,0,0]=4 11449 B15R1.9080 CC(NCCCCCC(=O)N)C1CCC1 2230a_100016994624_100009817443 [0,1,0,1,0,0|2,0,0]=4 11450 B15R1.9080 CC(NCCCCCC(=O)N)C1CCC1 34a_100016994624_100009817443 [0,1,0,1,0,0|2,0,0]=4 11451 B15R1.9080 CC(OCCCCCC(=O)N)C1CCC1 34a_100000766398_100009817443 [0,1,0,1,0,0|2,0,0]=4 11452 B15R1.9080 CC(OCCCCCC(=O)N)C1CCC1 7a_100000766398_100009817443 [0,1,0,1,0,0|2,0,0]=4 11453 B15R1.15131 CC1CCC(N1CCCCCC(=O)N)C 2230a_100000687148_100009817443 [0,1,0,1,0,0|2,0,0]=4 11454 B15R1.15131 CC1CCC(N1CCCCCC(=O)N)C 269982a_100000687148_100009817443 [0,1,0,1,0,0|2,0,0]=4 11455 B15R1.15131 CC1CCC(N1CCCCCC(=O)N)C 34a_100000687148_100009817443 [0,1,0,1,0,0|2,0,0]=4 11456 B15R1.31152 CC(=O)CCCCOCC1(CCCC1)N 34a_100000749328_100009817362 [0,1,0,1,0,0|2,0,0]=4 11457 B15R1.31152 CC(=O)CCCNCCC1(CCCC1)O 34a_100000719956_100000685027 [0,1,0,1,0,0|2,0,0]=4 11458 B15R1.31152 CC1(CCCC1)OCCCCCC(=O)N 34a_100000751722_100009817443 [0,1,0,1,0,0|2,0,0]=4 11459 B15R1.31152 CC1(CCCC1)OCCCCCC(=O)N 7a_100000751722_100009817443 [0,1,0,1,0,0|2,0,0]=4 11460 B15R1.31152 NC(=O)CCCNCCC1(CCCC1)O 34a_100000719956_100102525003 [0,1,0,1,0,0|2,0,0]=4 11461 B15R1.42 CCC1CCC(C1)NCCCCC(=O)N 270004a_100000696515_100011218773 [0,1,0,1,0,0|2,0,0]=4 11462 B15R1.77 CCCCCC(C)NC[C@@H]1CCC(=O)N1 2230a_100000211957_100015189358 [0,1,0,1,0,0|2,0,0]=4 11463 B15R1.77 CCCCCC(C)NC[C@H]1CCC(=O)N1 2230a_100015423886_200011218191 [0,1,0,1,0,0|2,0,0]=4 11464 B15R1.77 CCCCCC(C)NC[C@H]1CCC(=O)N1 270004a_100015423886_100000211708 [0,1,0,1,0,0|2,0,0]=4 11465 B15R1.77 CCCCCC(C)NC[C@H]1CCC(=O)N1 34a_100015423886_200011218191 [0,1,0,1,0,0|2,0,0]=4 11466 B15R1.77 CCCCCC(C)OCC1CCC(=O)N1 34a_100000737831_200011218191 [0,1,0,1,0,0|2,0,0]=4 11467 B15R1.77 CCCCCC(C)OC[C@@H]1CCC(=O)N1 7a_100011215632_100015189358 [0,1,0,1,0,0|2,0,0]=4 11468 B15R1.77 CCCCCC(C)SC[C@@H]1CCC(=O)N1 62a_100015189358_200011218191 [0,1,0,1,0,0|2,0,0]=4 11469 B15R1.77 CCCCCC(C)SC[C@@H]1CCC(=O)N1 62a_200011218191_100015189358 [0,1,0,1,0,0|2,0,0]=4 11470 B15R1.129 CCCCCC(C)OC1CCCC(=O)C1 34a_100012613340_200011218191 [0,1,0,1,0,0|2,0,0]=4 11471 B15R1.506 CC(=O)CCCCNC(C)C1CCCC1 34a_100015185923_100009817362 [0,1,0,1,0,0|2,0,0]=4 11472 B15R1.506 CC(=O)CCCCOC(C)C1CCCC1 34a_100011216366_100009817362 [0,1,0,1,0,0|2,0,0]=4 11473 B15R1.506 CC(=O)CCCCOC(C)C1CCCC1 7a_100011216366_100000735457 [0,1,0,1,0,0|2,0,0]=4 11474 B15R1.506 CC(NCCCCC(=O)N)C1CCCC1 269862a_100000696515_100000749594 [0,1,0,1,0,0|2,0,0]=4 11475 B15R1.506 CC(NCCCCC(=O)N)C1CCCC1 270004a_100000696515_100000749594 [0,1,0,1,0,0|2,0,0]=4 11476 B15R1.506 CN(CCCCCC(=O)N)C1CCCC1 2230a_100000207505_100009817443 [0,1,0,1,0,0|2,0,0]=4 11477 B15R1.506 CN(CCCCCC(=O)N)C1CCCC1 269982a_100000207505_100009817443 [0,1,0,1,0,0|2,0,0]=4 11478 B15R1.506 CN(CCCCCC(=O)N)C1CCCC1 34a_100000207505_100009817443 [0,1,0,1,0,0|2,0,0]=4 11479 B15R1.506 NC(=O)CCCCCC(=O)C1CCCC1 1458a_100000210718_100009817443 [0,1,0,1,0,0|1,0,1]=4 11480 B15R1.1180 CCCCCN1CCCC(C1)CC(=O)O 269956a_100015207179_100000210326 [0,1,0,1,0,0|2,0,0]=4 11481 B15R1.1405 CCCCCC(C)N1CCC[C@H]1C(=O)N 2230a_100000003125_200011218191 [0,1,0,1,0,0|2,0,0]=4 11482 B15R1.1405 CCCCCC(C)N1CCC[C@H]1C(=O)N 270004a_100000003125_100000211708 [0,1,0,1,0,0|2,0,0]=4 11483 B15R1.1405 CCCCCC(C)N1CCC[C@H]1C(=O)O 269956a_100000743916_200011218191 [0,1,0,1,0,0|2,0,0]=4 11484 B15R1.8290 CC(=O)CCCCN1C(CCCC1C)C 269982a_100000210447_100000735457 [0,1,0,1,0,0|2,0,0]=4 11485 B15R1.8290 CC(=O)CCCCN1C(CCCC1C)C 34a_100000210447_100009817362 [0,1,0,1,0,0|2,0,0]=4 11486 B15R1.8290 CC(=O)CCCOC1C(CCCC1C)C 34a_100011218088_100000685027 [0,1,0,1,0,0|2,0,0]=4 11487 B15R1.8290 CC(=O)CCCOC1C(CCCC1C)C 7a_100011218088_100011215641 [0,1,0,1,0,0|2,0,0]=4 11488 B15R1.8290 CC1CCCC(C1NCCCC(=O)N)C 269862a_100000739312_100000211995 [0,1,0,1,0,0|2,0,0]=4 11489 B15R1.8290 CC1CCCC(C1OCCCC(=O)N)C 34a_100011218088_100102525003 [0,1,0,1,0,0|2,0,0]=4 11490 B15R1.8290 CC1CCCC(C1OCCCC(=O)N)C 7a_100011218088_100102525003 [0,1,0,1,0,0|2,0,0]=4 11491 B15R1.8958 C=C(C)CCNCCC1CCCCCC1 2230a_100011532351_100000730704 [0,1,0,1,0,0|2,0,0]=4 11492 B15R1.8958 C=C(C)CCNCCC1CCCCCC1 34a_100011532351_100000730704 [0,1,0,1,0,0|2,0,0]=4 11493 B15R1.8958 CC(=O)CCCCNC1CCCCCC1 34a_100000210984_100009817362 [0,1,0,1,0,0|1,0,0]=3 11494 B15R1.8958 CC(=O)CCCCOC1CCCCCC1 34a_100000210887_100009817362 [0,1,0,1,0,0|1,0,0]=3 11495 B15R1.8958 CC(=O)CCCCOC1CCCCCC1 7a_100000210887_100000735457 [0,1,0,1,0,0|1,0,0]=3 11496 B15R1.8958 CC(=O)CCCCSC1CCCCCC1 62a_100000735457_100011217769 [0,1,0,1,0,0|1,0,0]=3 11497 B15R1.8958 CC(=O)CCCCSC1CCCCCC1 62a_100011217769_100000735457 [0,1,0,1,0,0|1,0,0]=3 11498 B15R1.8958 CC(=O)CCCNCC1CCCCCC1 34a_100015204231_100000685027 [0,1,0,1,0,0|1,0,0]=3 11499 B15R1.8958 CC(=O)CCCOCC1CCCCCC1 34a_100000699130_100000685027 [0,1,0,1,0,0|1,0,0]=3 11500 B15R1.8958 CC(=O)CCCOCC1CCCCCC1 34a_100000759063_200000696569 [0,1,0,1,0,0|1,0,0]=3 11501 B15R1.8958 CC(=O)CCCOCC1CCCCCC1 7a_100000699130_100011215641 [0,1,0,1,0,0|1,0,0]=3 11502 B15R1.8958 CC(=O)CCCOCC1CCCCCC1 7a_100000759063_200000696569 [0,1,0,1,0,0|1,0,0]=3 11503 B15R1.8958 CC(=O)CCCSCC1CCCCCC1 62a_100011215641_200000696569 [0,1,0,1,0,0|1,0,0]=3 11504 B15R1.8958 CC(=O)CCCSCC1CCCCCC1 62a_200000696569_100011215641 [0,1,0,1,0,0|1,0,0]=3 11505 B15R1.8958 CC(=O)CCOCCN1CCCCCC1 7a_100000759926_100000722644 [0,1,0,1,0,0|2,0,0]=4 11506 B15R1.8958 CC(=O)CCSCCN1CCCCCC1 62a_100000053229_100000722644 [0,1,0,1,0,0|2,0,0]=4 11507 B15R1.8958 CC(=O)CCSCCN1CCCCCC1 62a_100000722644_100000053229 [0,1,0,1,0,0|2,0,0]=4 11508 B15R1.8958 CC(=O)NCCCCN1CCCCCC1 1626a_100011207362_100015343762 [0,1,0,1,0,0|2,0,0]=4 11509 B15R1.8958 CC(=O)NCCCCN1CCCCCC1 240690a_100011207362_100015343762 [0,1,0,1,0,0|2,0,0]=4 11510 B15R1.8958 CC(=O)NCCCCN1CCCCCC1 527a_100011207362_100103153847 [0,1,0,1,0,0|2,0,0]=4 11511 B15R1.8958 CC(=O)NCCCNC1CCCCCC1 270004a_100000736810_100000210131 [0,1,0,1,0,0|2,0,0]=4 11512 B15R1.8958 CC(=O)NCCCNC1CCCCCC1 34a_100000736810_100011217769 [0,1,0,1,0,0|2,0,0]=4 11513 B15R1.8958 CC(=O)NCCCOC1CCCCCC1 34a_100000752032_100011217769 [0,1,0,1,0,0|2,0,0]=4 11514 B15R1.8958 CC(=O)NCCNCC1CCCCCC1 2230a_100000209853_200000696569 [0,1,0,1,0,0|2,0,0]=4 11515 B15R1.8958 CC(=O)NCCNCC1CCCCCC1 2230a_100015204231_100000189650 [0,1,0,1,0,0|2,0,0]=4 11516 B15R1.8958 CC(=O)NCCNCC1CCCCCC1 269862a_100000209853_200000763224 [0,1,0,1,0,0|2,0,0]=4 11517 B15R1.8958 CC(=O)NCCOCC1CCCCCC1 34a_100000158858_200000696569 [0,1,0,1,0,0|2,0,0]=4 11518 B15R1.8958 CC(=O)NCCOCC1CCCCCC1 7a_100000699130_100000189650 [0,1,0,1,0,0|2,0,0]=4 11519 B15R1.8958 CC(=O)NCCSCC1CCCCCC1 62a_100000189650_200000696569 [0,1,0,1,0,0|2,0,0]=4 11520 B15R1.8958 CC(=O)NCCSCC1CCCCCC1 62a_200000696569_100000189650 [0,1,0,1,0,0|2,0,0]=4 11521 B15R1.8958 CC(=O)OCCCCN1CCCCCC1 269982a_100000185865_100000033659 [0,1,0,1,0,0|2,0,0]=4 11522 B15R1.8958 CC(=O)OCCCCN1CCCCCC1 34a_100000185865_100000033659 [0,1,0,1,0,0|2,0,0]=4 11523 B15R1.8958 CC(=O)OCCCNC1CCCCCC1 34a_100000210984_100000042594 [0,1,0,1,0,0|2,0,0]=4 11524 B15R1.8958 CC(=O)OCCCOC1CCCCCC1 34a_100000210887_100000042594 [0,1,0,1,0,0|2,0,0]=4 11525 B15R1.8958 CC(=O)OCCCOC1CCCCCC1 7a_100000210887_100000042594 [0,1,0,1,0,0|2,0,0]=4 11526 B15R1.8958 CC(=O)OCCCSC1CCCCCC1 62a_100000042594_100011217769 [0,1,0,1,0,0|2,0,0]=4 11527 B15R1.8958 CC(=O)OCCCSC1CCCCCC1 62a_100011217769_100000042594 [0,1,0,1,0,0|2,0,0]=4 11528 B15R1.8958 CC(=O)OCCNCC1CCCCCC1 34a_100015204231_100009814007 [0,1,0,1,0,0|2,0,0]=4 11529 B15R1.8958 CC(=O)OCCOCC1CCCCCC1 34a_100000699130_100009814007 [0,1,0,1,0,0|2,0,0]=4 11530 B15R1.8958 CC(=O)OCCOCC1CCCCCC1 7a_100000699130_100009814007 [0,1,0,1,0,0|2,0,0]=4 11531 B15R1.8958 CC(=O)OCCSCC1CCCCCC1 62a_100009814007_200000696569 [0,1,0,1,0,0|2,0,0]=4 11532 B15R1.8958 CC(=O)OCCSCC1CCCCCC1 62a_200000696569_100009814007 [0,1,0,1,0,0|2,0,0]=4 11533 B15R1.8958 CC(=O)OCNCCC1CCCCCC1 34a_100011532351_100009813279 [0,1,0,1,0,0|2,0,0]=4 11534 B15R1.8958 CC(=O)SCCCCN1CCCCCC1 2230a_100000185865_200010402107 [0,1,0,1,0,0|2,0,0]=4 11535 B15R1.8958 CC(=O)SCCCCN1CCCCCC1 269982a_100000185865_200010402107 [0,1,0,1,0,0|2,0,0]=4 11536 B15R1.8958 CC(=O)SCCCCN1CCCCCC1 34a_100000185865_200010402107 [0,1,0,1,0,0|2,0,0]=4 11537 B15R1.8958 CC(=O)SCCCNC1CCCCCC1 2230a_100000210984_100000038929 [0,1,0,1,0,0|2,0,0]=4 11538 B15R1.8958 CC(=O)SCCCNC1CCCCCC1 34a_100000210984_100000038929 [0,1,0,1,0,0|2,0,0]=4 11539 B15R1.8958 CC(=O)SCCCOC1CCCCCC1 34a_100000210887_100000038929 [0,1,0,1,0,0|2,0,0]=4 11540 B15R1.8958 CC(=O)SCCCOC1CCCCCC1 7a_100000210887_100000038929 [0,1,0,1,0,0|2,0,0]=4 11541 B15R1.8958 CC(=O)SCCCSC1CCCCCC1 62a_100000038929_100011217769 [0,1,0,1,0,0|2,0,0]=4 11542 B15R1.8958 CC(=O)SCCCSC1CCCCCC1 62a_100011217769_100000038929 [0,1,0,1,0,0|2,0,0]=4 11543 B15R1.8958 CC(=O)SCCNCC1CCCCCC1 269862a_100020647217_200000763224 [0,1,0,1,0,0|2,0,0]=4 11544 B15R1.8958 CS(=O)CCCNCC1CCCCCC1 2230a_200000753449_200000696569 [0,1,0,1,0,0|2,0,0]=4 11545 B15R1.8958 NC(=O)CCCCCN1CCCCCC1 2230a_100000185865_100009817443 [0,1,0,1,0,0|1,0,0]=3 11546 B15R1.8958 NC(=O)CCCCCN1CCCCCC1 269982a_100000185865_100009817443 [0,1,0,1,0,0|1,0,0]=3 11547 B15R1.8958 NC(=O)CCCCCN1CCCCCC1 34a_100000185865_100009817443 [0,1,0,1,0,0|1,0,0]=3 11548 B15R1.8958 NC(=O)CCCCCN1CCCOCC1 2230a_100000685342_100009817443 [0,1,0,1,0,0|2,0,0]=4 11549 B15R1.8958 NC(=O)CCCCCN1CCCOCC1 269982a_100000685342_100009817443 [0,1,0,1,0,0|2,0,0]=4 11550 B15R1.8958 NC(=O)CCCCCN1CCCOCC1 34a_100000685342_100009817443 [0,1,0,1,0,0|2,0,0]=4 11551 B15R1.8958 NC(=O)CCCCNC1CCCCCC1 270004a_100000696515_100000210131 [0,1,0,1,0,0|1,0,0]=3 11552 B15R1.8958 NC(=O)CCCCNC1CCCCCC1 34a_100000696515_100011217769 [0,1,0,1,0,0|1,0,0]=3 11553 B15R1.8958 NC(=O)CCCCNC1CCCNCC1 270004a_100000696515_100015187895 [0,1,0,1,0,0|2,0,0]=4 11554 B15R1.8958 NC(=O)CCCCOC1CCCCCC1 34a_100012022536_100011217769 [0,1,0,1,0,0|1,0,0]=3 11555 B15R1.8958 NC(=O)CCCNCC1CCCCCC1 269862a_100000739312_200000763224 [0,1,0,1,0,0|1,0,0]=3 11556 B15R1.8958 NC(=O)CCCNCC1CCCCCC1 34a_100000739312_200000696569 [0,1,0,1,0,0|1,0,0]=3 11557 B15R1.8958 NC(=O)CCCNCC1CCCCCC1 34a_100015204231_100102525003 [0,1,0,1,0,0|1,0,0]=3 11558 B15R1.8958 NC(=O)CCCOCC1CCCCCC1 34a_100000699130_100102525003 [0,1,0,1,0,0|1,0,0]=3 11559 B15R1.8958 NC(=O)CCCOCC1CCCCCC1 7a_100000699130_100102525003 [0,1,0,1,0,0|1,0,0]=3 11560 B15R1.8958 NC(=O)CCCSCC1CCCCCC1 62a_100102525003_200000696569 [0,1,0,1,0,0|1,0,0]=3 11561 B15R1.8958 NC(=O)CCCSCC1CCCCCC1 62a_200000696569_100102525003 [0,1,0,1,0,0|1,0,0]=3 11562 B15R1.8958 NC(=O)CCNCCC1CCCCCC1 2230a_100011532351_100000744528 [0,1,0,1,0,0|1,0,0]=3 11563 B15R1.8958 NC(=O)CCNCCC1CCCCCC1 34a_100011532351_100000731001 [0,1,0,1,0,0|1,0,0]=3 11564 B15R1.8958 NC(=O)CCOCCN1CCCCCC1 34a_100000238007_100000731001 [0,1,0,1,0,0|2,0,0]=4 11565 B15R1.8958 NC(=O)CCOCCN1CCCCCC1 7a_100000757172_100000722644 [0,1,0,1,0,0|2,0,0]=4 11566 B15R1.8958 NC(=O)CCSCCN1CCCCCC1 62a_100000722644_100000744528 [0,1,0,1,0,0|2,0,0]=4 11567 B15R1.8958 NC(=O)CCSCCN1CCCCCC1 62a_100000744528_100000722644 [0,1,0,1,0,0|2,0,0]=4 11568 B15R1.8958 NC(=O)COCCCN1CCCCCC1 34a_100102886287_100000187820 [0,1,0,1,0,0|2,0,0]=4 11569 B15R1.8958 NC(=O)COCCCN1CCCCCC1 7a_100102886287_100000187820 [0,1,0,1,0,0|2,0,0]=4 11570 B15R1.8958 NC(=O)COCCNC1CCCCCC1 2230a_100000210984_100000076697 [0,1,0,1,0,0|2,0,0]=4 11571 B15R1.8958 NC(=O)COCCNC1CCCCCC1 34a_100000210984_100000076697 [0,1,0,1,0,0|2,0,0]=4 11572 B15R1.8958 NC(=O)COCCOC1CCCCCC1 34a_100000210887_100000076697 [0,1,0,1,0,0|2,0,0]=4 11573 B15R1.8958 NC(=O)COCCOC1CCCCCC1 7a_100000210887_100000076697 [0,1,0,1,0,0|2,0,0]=4 11574 B15R1.8958 NC(=O)COCCSC1CCCCCC1 62a_100000076697_100011217769 [0,1,0,1,0,0|2,0,0]=4 11575 B15R1.8958 NC(=O)COCCSC1CCCCCC1 62a_100011217769_100000076697 [0,1,0,1,0,0|2,0,0]=4 11576 B15R1.8958 NC(=O)NCCNCC1CCCCCC1 2230a_100015204231_200000034859 [0,1,0,1,0,0|2,0,0]=4 11577 B15R1.8958 NC(=O)NCCNCC1CCCCCC1 269862a_100020590234_200000763224 [0,1,0,1,0,0|2,0,0]=4 11578 B15R1.8958 NC(=O)NCCNCC1CCCCCC1 34a_100020590234_200000696569 [0,1,0,1,0,0|2,0,0]=4 11579 B15R1.8958 NC(=O)NCCOCC1CCCCCC1 34a_100000181757_200000696569 [0,1,0,1,0,0|2,0,0]=4 11580 B15R1.8958 NC(=O)NCCOCC1CCCCCC1 7a_100000699130_200000034859 [0,1,0,1,0,0|2,0,0]=4 11581 B15R1.8958 NC(=O)NCCSCC1CCCCCC1 62a_200000034859_200000696569 [0,1,0,1,0,0|2,0,0]=4 11582 B15R1.8958 NC(=O)NCCSCC1CCCCCC1 62a_200000696569_200000034859 [0,1,0,1,0,0|2,0,0]=4 11583 B15R1.8958 NC(=O)OCCNCC1CCCCCC1 34a_100015204231_200011214921 [0,1,0,1,0,0|2,0,0]=4 11584 B15R1.8958 NC(=O)OCCOCC1CCCCCC1 34a_100000699130_200011214921 [0,1,0,1,0,0|2,0,0]=4 11585 B15R1.8958 NC(=O)OCCOCC1CCCCCC1 7a_100000699130_200011214921 [0,1,0,1,0,0|2,0,0]=4 11586 B15R1.8958 NC(=O)OCCOCC1CCCCCC1 7a_100000766696_200000696569 [0,1,0,1,0,0|2,0,0]=4 11587 B15R1.8958 NC(=O)OCCSCC1CCCCCC1 62a_200000696569_200011214921 [0,1,0,1,0,0|2,0,0]=4 11588 B15R1.8958 NC(=O)OCCSCC1CCCCCC1 62a_200011214921_200000696569 [0,1,0,1,0,0|2,0,0]=4 11589 B15R1.8958 O=C(O)COCCNC1CCCCCC1 269956a_100000700818_100011217769 [0,1,0,1,0,0|2,0,0]=4 11590 B15R1.8958 O=C([O-])COCCCN1CCCCCC1 34a_100102886287_100020667443 [0,1,0,1,0,0|2,0,0]=4 11591 B15R1.8958 O=[N+]([O-])CCCCOC1CCCCCC1 34a_200015379883_100011217769 [0,1,0,1,0,0|2,0,0]=4 11592 B15R1.8958 O=[N+]([O-])CCCOCC1CCCCCC1 34a_200000037920_200000696569 [0,1,0,1,0,0|2,0,0]=4 11593 B15R1.9022 CN(CCCCCC(=O)N)CC1CCC1 2230a_200000750244_100009817443 [0,1,0,1,0,0|2,0,0]=4 11594 B15R1.9022 CN(CCCCCC(=O)N)CC1CCC1 269982a_200000750244_100009817443 [0,1,0,1,0,0|2,0,0]=4 11595 B15R1.9022 CN(CCCCCC(=O)N)CC1CCC1 34a_200000750244_100009817443 [0,1,0,1,0,0|2,0,0]=4 11596 B15R1.9022 NC(=O)CCCCCC(=O)CC1CCC1 1458a_100000763092_100009817443 [0,1,0,1,0,0|1,0,1]=4 11597 B15R1.9023 NC(=O)CCCCCC(=O)CCC1CC1 1458a_100000756386_100009817443 [0,1,0,1,0,0|1,0,1]=4 11598 B15R1.13123 CCC1CC1C(=O)CCCCCC(=O)N 1458a_200011661523_100009817443 [0,1,0,1,0,0|1,0,1]=4 11599 B15R1.31280 CC(=O)CCCCNC1(CCCCC1)C 34a_100000741114_100009817362 [0,1,0,1,0,0|2,0,0]=4 11600 B15R1.31280 CC(=O)CCCCOC1(CCCCC1)C 34a_100011215885_100009817362 [0,1,0,1,0,0|2,0,0]=4 11601 B15R1.31280 CC(=O)CCCCOC1(CCCCC1)C 7a_100011215885_100000735457 [0,1,0,1,0,0|2,0,0]=4 11602 B15R1.31280 CC(=O)CCCNCC1(CCCCC1)C 34a_100000706052_100000685027 [0,1,0,1,0,0|2,0,0]=4 11603 B15R1.31280 CC(=O)CCCNCC1(CCCCC1)O 34a_100000748649_100000685027 [0,1,0,1,0,0|2,0,0]=4 11604 B15R1.31280 CC(=O)CCCOCC1(CCCCC1)C 34a_100000688186_100000685027 [0,1,0,1,0,0|2,0,0]=4 11605 B15R1.31280 CC(=O)CCCOCC1(CCCCC1)C 7a_100000688186_100011215641 [0,1,0,1,0,0|2,0,0]=4 11606 B15R1.31280 CC(=O)CCCOCC1(CCCCC1)F 34a_100000090305_100000685027 [0,1,0,1,0,0|2,0,0]=4 11607 B15R1.31280 CC(=O)CCCOCC1(CCCCC1)F 7a_100000090305_100011215641 [0,1,0,1,0,0|2,0,0]=4 11608 B15R1.31280 CC(=O)CCCOCC1(CCCCC1)N 34a_100000740034_100000685027 [0,1,0,1,0,0|2,0,0]=4 11609 B15R1.31280 CC1(CCCCC1)CNCCCC(=O)N 269862a_100000739312_100011935227 [0,1,0,1,0,0|2,0,0]=4 11610 B15R1.31280 CC1(CCCCC1)CNCCCC(=O)N 34a_100000706052_100102525003 [0,1,0,1,0,0|2,0,0]=4 11611 B15R1.31280 CC1(CCCCC1)COCCCC(=O)N 34a_100000688186_100102525003 [0,1,0,1,0,0|2,0,0]=4 11612 B15R1.31280 CC1(CCCCC1)COCCCC(=O)N 7a_100000688186_100102525003 [0,1,0,1,0,0|2,0,0]=4 11613 B15R1.31280 NC(=O)CCCNCC1(CCCCC1)O 34a_100000748649_100102525003 [0,1,0,1,0,0|2,0,0]=4 11614 B15R1.31280 NC(=O)CCCOCC1(CCCCC1)F 34a_100000090305_100102525003 [0,1,0,1,0,0|2,0,0]=4 11615 B15R1.31280 NC(=O)CCCOCC1(CCCCC1)F 7a_100000090305_100102525003 [0,1,0,1,0,0|2,0,0]=4 11616 B15R1.31280 NC(=O)CCCOCC1(CCCCC1)N 34a_100000740034_100102525003 [0,1,0,1,0,0|2,0,0]=4 11617 B15R1.31280 NC(=O)CCNCCC1(CCCCC1)O 2230a_100102740465_100000744528 [0,1,0,1,0,0|2,0,0]=4 11618 B15R1.31280 NC(=O)CCNCCC1(CCCCC1)O 34a_100102740465_100000731001 [0,1,0,1,0,0|2,0,0]=4 11619 B15R1.64 CCC1CCCC(C1)OCCCC(=O)C 7a_100011985506_100011215641 [0,1,0,1,0,0|2,0,0]=4 11620 B15R1.64 CCC1CCCC(C1)OCCCC(=O)N 7a_100011985506_100102525003 [0,1,0,1,0,0|2,0,0]=4 11621 B15R1.123 CC(=O)CCCNC1CCCC(C1C)C 34a_100000211273_100000685027 [0,1,0,1,0,0|2,0,0]=4 11622 B15R1.123 CC(=O)CCCOC1CCCC(C1C)C 34a_100011217532_100000685027 [0,1,0,1,0,0|2,0,0]=4 11623 B15R1.123 CC(=O)CCCOC1CCCC(C1C)C 7a_100011217532_100011215641 [0,1,0,1,0,0|2,0,0]=4 11624 B15R1.123 CC1CCCC(C1C)NCCCC(=O)N 34a_100000211273_100102525003 [0,1,0,1,0,0|2,0,0]=4 11625 B15R1.123 CC1CCCC(C1C)OCCCC(=O)N 34a_100011217532_100102525003 [0,1,0,1,0,0|2,0,0]=4 11626 B15R1.123 CC1CCCC(C1C)OCCCC(=O)N 7a_100011217532_100102525003 [0,1,0,1,0,0|2,0,0]=4 11627 B15R1.871 CC(=O)CCCCN[C@H]1CC[C@@H](CC1)C 34a_100020625639_100009817362 [0,1,0,1,0,0|2,0,0]=4 11628 B15R1.871 CC(=O)CCCCOC1CCC(CC1)C 34a_100000210714_100009817362 [0,1,0,1,0,0|2,0,0]=4 11629 B15R1.871 CC(=O)CCCCOC1CCC(CC1)C 7a_100000210714_100000735457 [0,1,0,1,0,0|2,0,0]=4 11630 B15R1.871 CC(=O)CCCCO[C@H]1CC[C@H](CC1)N 34a_100020628982_100009817362 [0,1,0,1,0,0|2,0,0]=4 11631 B15R1.871 CC(=O)CCCCSC1CCC(CC1)C 62a_100000735457_200011216234 [0,1,0,1,0,0|2,0,0]=4 11632 B15R1.871 CC(=O)CCCNCC1CCC(CC1)C 34a_103436935547_100000685027 [0,1,0,1,0,0|2,0,0]=4 11633 B15R1.871 CC(=O)CCCOCC1CCC(CC1)C 34a_100000701341_100000685027 [0,1,0,1,0,0|2,0,0]=4 11634 B15R1.871 CC(=O)CCCOC[C@H]1CC[C@@H](CC1)N 34a_100009821084_100000685027 [0,1,0,1,0,0|2,0,0]=4 11635 B15R1.871 CC1CCC(CC1)CNCCCC(=O)N 34a_103436935547_100102525003 [0,1,0,1,0,0|2,0,0]=4 11636 B15R1.871 CC1CCC(CC1)COCCCC(=O)N 34a_100000701341_100102525003 [0,1,0,1,0,0|2,0,0]=4 11637 B15R1.871 CC1CCC(CC1)NCCCCC(=O)N 270004a_100000696515_100000185489 [0,1,0,1,0,0|2,0,0]=4 11638 B15R1.871 CC1CCC(CC1)NCCCCC(=O)N 34a_100000696515_200011216234 [0,1,0,1,0,0|2,0,0]=4 11639 B15R1.871 CC1CCC(CC1)OCCCCC(=O)N 34a_100012022536_200011216234 [0,1,0,1,0,0|2,0,0]=4 11640 B15R1.871 CC1CCN(CC1)CCCCCC(=O)N 2230a_100000188429_100009817443 [0,1,0,1,0,0|2,0,0]=4 11641 B15R1.871 CC1CCN(CC1)CCCCCC(=O)N 269982a_100000188429_100009817443 [0,1,0,1,0,0|2,0,0]=4 11642 B15R1.871 CC1CCN(CC1)CCCCCC(=O)N 34a_100000188429_100009817443 [0,1,0,1,0,0|2,0,0]=4 11643 B15R1.871 NC(=O)CCCCCN1CCC(CC1)F 2230a_100015193889_100009817443 [0,1,0,1,0,0|2,0,0]=4 11644 B15R1.871 NC(=O)CCCCCN1CCC(CC1)F 269982a_100015193889_100009817443 [0,1,0,1,0,0|2,0,0]=4 11645 B15R1.871 NC(=O)CCCCCN1CCC(CC1)F 34a_100015193889_100009817443 [0,1,0,1,0,0|2,0,0]=4 11646 B15R1.871 NC(=O)CCCCCN1CCC(CC1)O 2230a_100025773856_100009817443 [0,1,0,1,0,0|2,0,0]=4 11647 B15R1.871 NC(=O)CCCCCN1CCC(CC1)O 269982a_100025773856_100009817443 [0,1,0,1,0,0|2,0,0]=4 11648 B15R1.871 NC(=O)CCCCNC1CCC(CC1)O 270004a_100000696515_100000764474 [0,1,0,1,0,0|2,0,0]=4 11649 B15R1.871 NC(=O)CCCOC[C@H]1CC[C@@H](CC1)N 34a_100009821084_100102525003 [0,1,0,1,0,0|2,0,0]=4 11650 B15R1.871 NC(=O)CCNCCC1CCC(CC1)O 34a_200011935226_100000731001 [0,1,0,1,0,0|2,0,0]=4 11651 B15R1.871 NC(=O)CCOCCC1CCC(CC1)N 34a_100000070672_100000731001 [0,1,0,1,0,0|2,0,0]=4 11652 B15R1.961 CCC(C)CCCOC[C@@H]1CCC(=O)N1 7a_100011216074_100015189358 [0,1,0,1,0,0|2,0,0]=4 11653 B15R1.985 CCC(C)N1CCCCC1CCC(=O)O 269956a_100000694054_100000758301 [0,1,0,1,0,0|2,0,0]=4 11654 B15R1.1101 COC(=O)CCCCCOCC1CC1C 34a_100000744939_100009816466 [0,1,0,1,0,0|2,0,0]=4 11655 B15R1.1101 COC(=O)CCCCCOCC1CC1C 7a_100000744939_100009816466 [0,1,0,1,0,0|2,0,0]=4 11656 B15R1.1108 CCC(C)CN[C@@H]1CCCC[C@H]1C(=O)O 269956a_100009816435_100000748023 [0,1,0,1,0,0|2,0,0]=4 11657 B15R1.1108 CCC(O)CN[C@@H]1CCCC[C@H]1C(=O)O 269956a_100009816435_100011218378 [0,1,0,1,0,0|2,0,0]=4 11658 B15R1.1108 CC[C@H](C)CN[C@@H]1CCCC[C@H]1C(=O)O 269956a_100009816435_100009816398 [0,1,0,1,0,0|2,0,0]=4 11659 B15R1.3845 CCC(C)CN1CCCCC1CC(=O)N 2230a_100015184752_100000748023 [0,1,0,1,0,0|2,0,0]=4 11660 B15R1.3845 CCC(C)CN1CCCCC1CC(=O)N 269982a_100015184752_100000748023 [0,1,0,1,0,0|2,0,0]=4 11661 B15R1.3845 CCC(C)CN1CCCCC1CC(=O)N 270004a_100015184752_100000243153 [0,1,0,1,0,0|2,0,0]=4 11662 B15R1.3845 CCC(C)CN1CCCCC1CC(=O)N 34a_100015184752_100000748023 [0,1,0,1,0,0|2,0,0]=4 11663 B15R1.3845 CCC(O)CN1CCCCC1CC(=O)N 2230a_100015184752_100011218378 [0,1,0,1,0,0|2,0,0]=4 11664 B15R1.3845 CCC(O)CN1CCCCC1CC(=O)N 269982a_100015184752_100011218378 [0,1,0,1,0,0|2,0,0]=4 11665 B15R1.3845 CCC(O)CN1CCCCC1CC(=O)N 34a_100015184752_100011218378 [0,1,0,1,0,0|2,0,0]=4 11666 B15R1.3845 CC[C@H](C)CN1CCCCC1CC(=O)N 2230a_100015184752_100009816398 [0,1,0,1,0,0|2,0,0]=4 11667 B15R1.3845 CC[C@H](C)CN1CCCCC1CC(=O)N 269982a_100015184752_100009816398 [0,1,0,1,0,0|2,0,0]=4 11668 B15R1.3845 CC[C@H](C)CN1CCCCC1CC(=O)N 34a_100015184752_100009816398 [0,1,0,1,0,0|2,0,0]=4 11669 B15R1.6612 CC(=O)CCCCN1CCCC(CC1)C 269982a_100025706717_100000735457 [0,1,0,1,0,0|2,0,0]=4 11670 B15R1.6612 CC(=O)CCCCN1CCCC(CC1)C 34a_100025706717_100009817362 [0,1,0,1,0,0|2,0,0]=4 11671 B15R1.6612 CC(=O)CCCCN1CCCC(CC1)O 269982a_100015186869_100000735457 [0,1,0,1,0,0|2,0,0]=4 11672 B15R1.8881 CC(=O)NCCCCCCNC1CCC1 270004a_200011996284_100000241760 [0,1,0,1,0,0|2,0,0]=4 11673 B15R1.8881 CC(=O)NCCCCCCNC1CCC1 34a_200011996284_100000749161 [0,1,0,1,0,0|2,0,0]=4 11674 B15R1.8881 CC(=O)NCCCCCNCC1CCC1 2230a_200012022750_100000763275 [0,1,0,1,0,0|2,0,0]=4 11675 B15R1.8881 CC(=O)NCCCCCNCC1CCC1 269862a_200012022750_100000753134 [0,1,0,1,0,0|2,0,0]=4 11676 B15R1.8881 CC(=O)NCCCCCNCC1CCC1 34a_200012022750_100000763275 [0,1,0,1,0,0|2,0,0]=4 11677 B15R1.8881 CC(=O)OCCCCCNCC1CCC1 2230a_100000738700_100009813381 [0,1,0,1,0,0|2,0,0]=4 11678 B15R1.8881 CC(=O)OCCCCCNCC1CCC1 34a_100000738700_100000033007 [0,1,0,1,0,0|2,0,0]=4 11679 B15R1.8881 CC(=O)OCCCCCOCC1CCC1 34a_100000760304_100000033007 [0,1,0,1,0,0|2,0,0]=4 11680 B15R1.8881 CC(=O)OCCCCCSCC1CCC1 62a_100000033007_100000763275 [0,1,0,1,0,0|2,0,0]=4 11681 B15R1.8881 CC(=O)OCCCCCSCC1CCC1 62a_100000763275_100000033007 [0,1,0,1,0,0|2,0,0]=4 11682 B15R1.8881 CC(=O)SCCCCCCNC1CCC1 270004a_100000704104_100000241760 [0,1,0,1,0,0|2,0,0]=4 11683 B15R1.8881 NC(=O)CCCCCOCCC1COC1 34a_100009855314_100009817443 [0,1,0,1,0,0|2,0,0]=4 11684 B15R1.11398 CCC(C)CN1CCCCCC1C(=O)O 269956a_100000758484_100000748023 [0,1,0,1,0,0|2,0,0]=4 11685 B15R1.11398 CCC(O)CN1CCCCCC1C(=O)O 269956a_100000758484_100011218378 [0,1,0,1,0,0|2,0,0]=4 11686 B15R1.11398 CC[C@H](C)CN1CCCCCC1C(=O)O 269956a_100000758484_100009816398 [0,1,0,1,0,0|2,0,0]=4 11687 B15R1.11631 COC(=O)CCCCCCCNC1CC1 34a_100000212008_100010004213 [0,1,0,1,0,0|2,0,0]=4 11688 B15R1.11631 COC(=O)CCCCCCCOC1CC1 34a_100011022521_100000211595 [0,1,0,1,0,0|2,0,0]=4 11689 B15R1.11631 COC(=O)CCCCCCCSC1CC1 62a_100010004213_100000211595 [0,1,0,1,0,0|2,0,0]=4 11690 B15R1.11631 COC(=O)CCCCCCNCC1CC1 2230a_100000735609_100009815986 [0,1,0,1,0,0|2,0,0]=4 11691 B15R1.11631 COC(=O)CCCCCCNCC1CC1 34a_100000735609_100009815986 [0,1,0,1,0,0|2,0,0]=4 11692 B15R1.11631 COC(=O)CCCCCCOCC1CC1 34a_100000211283_100009815986 [0,1,0,1,0,0|2,0,0]=4 11693 B15R1.11631 COC(=O)CCCCCCOCC1CC1 34a_100009863599_100000742324 [0,1,0,1,0,0|2,0,0]=4 11694 B15R1.11631 COC(=O)CCCCCCOCC1CC1 7a_100009863599_100000742324 [0,1,0,1,0,0|2,0,0]=4 11695 B15R1.11631 COC(=O)CCCCCCSCC1CC1 62a_100000756562_100009815986 [0,1,0,1,0,0|2,0,0]=4 11696 B15R1.11631 COC(=O)CCCCCCSCC1CC1 62a_100009815986_100000742324 [0,1,0,1,0,0|2,0,0]=4 11697 B15R1.11631 COC(=O)CCCCCNCCC1CC1 34a_100000764129_100009816466 [0,1,0,1,0,0|2,0,0]=4 11698 B15R1.11631 COC(=O)CCCCCOCCC1CC1 34a_100000074720_100000694398 [0,1,0,1,0,0|2,0,0]=4 11699 B15R1.11631 COC(=O)CCCCCOCCC1CC1 34a_100000754188_100009816466 [0,1,0,1,0,0|2,0,0]=4 11700 B15R1.11631 COC(=O)CCCCCOCCC1CC1 7a_100000074720_100000764125 [0,1,0,1,0,0|2,0,0]=4 11701 B15R1.11631 COC(=O)CCCCCOCCC1CC1 7a_100000754188_100009816466 [0,1,0,1,0,0|2,0,0]=4 11702 B15R1.11631 COC(=O)CCCCCSCCC1CC1 62a_100000764125_100009816466 [0,1,0,1,0,0|2,0,0]=4 11703 B15R1.11631 COC(=O)CCCCCSCCC1CC1 62a_100009816466_100000764125 [0,1,0,1,0,0|2,0,0]=4 11704 B15R1.12 CCCCCCCNC1CCC(=O)NC1 2230a_100000748762_100000210681 [0,1,0,1,0,0|2,0,0]=4 11705 B15R1.12 CCCCCCCNC1CCC(=O)NC1 34a_100000748762_100000210614 [0,1,0,1,0,0|2,0,0]=4 11706 B15R1.12 CCCCCCCOC1CCC(=O)CC1 34a_100000764474_100000210614 [0,1,0,1,0,0|2,0,0]=4 11707 B15R1.12 CCCCCCCOC1CCC(=O)CC1 7a_100000764474_100000210614 [0,1,0,1,0,0|2,0,0]=4 11708 B15R1.12 CCCCCCCOC1CCC(=O)NC1 34a_100000079199_100000210614 [0,1,0,1,0,0|2,0,0]=4 11709 B15R1.12 CCCCCCOCC1CCC(=O)CC1 34a_100000062911_100000210314 [0,1,0,1,0,0|2,0,0]=4 11710 B15R1.22 CCCCCNCC1CCCC(=O)N1C 2230a_200010383782_100000210326 [0,1,0,1,0,0|2,0,0]=4 11711 B15R1.22 CCCCCNCC1CCCC(=O)N1C 34a_200010383782_100000718602 [0,1,0,1,0,0|2,0,0]=4 11712 B15R1.34 CCCCCCCCCN1CNC(=O)C1 2230a_200000708111_100011214924 [0,1,0,1,0,0|2,0,0]=4 11713 B15R1.34 CCCCCCCCNC1CNC(=O)C1 2230a_100000697751_100000210759 [0,1,0,1,0,0|2,0,0]=4 11714 B15R1.34 CCCCCCCCNC1COC(=O)O1 34a_100000229939_100000032252 [0,1,0,1,0,0|2,0,0]=4 11715 B15R1.34 CCCCCCCCOC1CCC(=O)C1 34a_100012614533_100000210759 [0,1,0,1,0,0|1,0,0]=3 11716 B15R1.34 CCCCCCCCOC1CNC(=O)C1 34a_100000690082_100000210759 [0,1,0,1,0,0|2,0,0]=4 11717 B15R1.34 CCCCCCCCOC1COC(=O)O1 34a_100000210232_100000032252 [0,1,0,1,0,0|2,0,0]=4 11718 B15R1.34 CCCCCCCCSC1COC(=O)O1 62a_100000210759_100000032252 [0,1,0,1,0,0|2,0,0]=4 11719 B15R1.34 CCCCCCCNCC1CNC(=O)C1 2230a_100016993742_100000210681 [0,1,0,1,0,0|2,0,0]=4 11720 B15R1.34 CCCCCCCNCC1CNC(=O)C1 34a_100016993742_100000210614 [0,1,0,1,0,0|2,0,0]=4 11721 B15R1.34 CCCCCCCNCC1CNC(=O)O1 2230a_100000229938_100000181169 [0,1,0,1,0,0|2,0,0]=4 11722 B15R1.34 CCCCCCCNC[C@@H]1CCC(=O)N1 2230a_100000229938_100015189358 [0,1,0,1,0,0|1,0,0]=3 11723 B15R1.34 CCCCCCCNC[C@H]1CCC(=O)N1 2230a_100015423886_100000210681 [0,1,0,1,0,0|1,0,0]=3 11724 B15R1.34 CCCCCCCNC[C@H]1CCC(=O)N1 34a_100015423886_100000210614 [0,1,0,1,0,0|1,0,0]=3 11725 B15R1.34 CCCCCCCNC[C@H]1COC(=O)N1 2230a_100000229938_100015307671 [0,1,0,1,0,0|2,0,0]=4 11726 B15R1.34 CCCCCCCOCC1CCC(=O)N1 34a_100000737831_100000210614 [0,1,0,1,0,0|1,0,0]=3 11727 B15R1.34 CCCCCCCOCC1CNC(=O)C1 34a_100016041077_100000210614 [0,1,0,1,0,0|2,0,0]=4 11728 B15R1.34 CCCCCCCOCC1CNC(=O)O1 34a_100000210272_100000181169 [0,1,0,1,0,0|2,0,0]=4 11729 B15R1.34 CCCCCCCOCC1CNC(=O)O1 34a_100011315639_100000210614 [0,1,0,1,0,0|2,0,0]=4 11730 B15R1.34 CCCCCCCOCC1CNC(=O)O1 7a_100000210272_100000181169 [0,1,0,1,0,0|2,0,0]=4 11731 B15R1.34 CCCCCCCOCC1COC(=O)O1 34a_100000210272_100000073702 [0,1,0,1,0,0|2,0,0]=4 11732 B15R1.34 CCCCCCCOC[C@@H]1CCC(=O)N1 7a_100000210272_100015189358 [0,1,0,1,0,0|1,0,0]=3 11733 B15R1.34 CCCCCCCOC[C@H]1COC(=O)N1 34a_100000210272_100015307671 [0,1,0,1,0,0|2,0,0]=4 11734 B15R1.34 CCCCCCCOC[C@H]1COC(=O)N1 7a_100000210272_100015307671 [0,1,0,1,0,0|2,0,0]=4 11735 B15R1.34 CCCCCCCSCC1CNC(=O)O1 62a_100000181169_100000210316 [0,1,0,1,0,0|2,0,0]=4 11736 B15R1.34 CCCCCCCSCC1CNC(=O)O1 62a_100000210614_100000181169 [0,1,0,1,0,0|2,0,0]=4 11737 B15R1.34 CCCCCCCSCC1COC(=O)O1 62a_100000073702_100000210316 [0,1,0,1,0,0|2,0,0]=4 11738 B15R1.34 CCCCCCCSCC1COC(=O)O1 62a_100000210614_100000073702 [0,1,0,1,0,0|2,0,0]=4 11739 B15R1.34 CCCCCCCSC[C@@H]1CCC(=O)N1 62a_100000210614_100015189358 [0,1,0,1,0,0|1,0,0]=3 11740 B15R1.34 CCCCCCCSC[C@@H]1CCC(=O)N1 62a_100015189358_100000210316 [0,1,0,1,0,0|1,0,0]=3 11741 B15R1.34 CCCCCCCSC[C@H]1COC(=O)N1 62a_100000210614_100015307671 [0,1,0,1,0,0|2,0,0]=4 11742 B15R1.34 CCCCCCCSC[C@H]1COC(=O)N1 62a_100015307671_100000210316 [0,1,0,1,0,0|2,0,0]=4 11743 B15R1.34 CCCCOCCNC[C@H]1CCC(=O)N1 2230a_100015423886_100000743108 [0,1,0,1,0,0|2,0,0]=4 11744 B15R1.34 CCCCOCCNC[C@H]1CCC(=O)N1 34a_100015423886_100000743108 [0,1,0,1,0,0|2,0,0]=4 11745 B15R1.34 CCCCOCCOCC1CCC(=O)N1 34a_100000737831_100000743108 [0,1,0,1,0,0|2,0,0]=4 11746 B15R1.34 CCCCOCCOC[C@@H]1CCC(=O)N1 7a_100000210238_100015189358 [0,1,0,1,0,0|2,0,0]=4 11747 B15R1.34 CCCCOCCSC[C@@H]1CCC(=O)N1 62a_100000743108_100015189358 [0,1,0,1,0,0|2,0,0]=4 11748 B15R1.34 CCCCOCCSC[C@@H]1CCC(=O)N1 62a_100015189358_100000743108 [0,1,0,1,0,0|2,0,0]=4 11749 B15R1.34 CCCCSCCNC[C@@H]1CCC(=O)N1 2230a_100025743550_100015189358 [0,1,0,1,0,0|2,0,0]=4 11750 B15R1.34 CCCCSCCOC[C@@H]1CCC(=O)N1 7a_200000230436_100015189358 [0,1,0,1,0,0|2,0,0]=4 11751 B15R1.34 CCCOCCCNC[C@@H]1CCC(=O)N1 2230a_100011217757_100015189358 [0,1,0,1,0,0|2,0,0]=4 11752 B15R1.34 COCCCCCCOC1CCC(=O)C1 34a_100012614533_100011998445 [0,1,0,1,0,0|2,0,0]=4 11753 B15R1.34 COCCCCCNC[C@@H]1CCC(=O)N1 2230a_100000747528_100015189358 [0,1,0,1,0,0|2,0,0]=4 11754 B15R1.34 O=C1CCC(C1)OCCCCCCCO 34a_100012614533_100000760002 [0,1,0,1,0,0|2,0,0]=4 11755 B15R1.34 O=C1CCC(N1)COCCCCCCF 34a_100000737831_100015922095 [0,1,0,1,0,0|2,0,0]=4 11756 B15R1.34 O=C1CCC(N1)COCCCCCCO 34a_100000737831_100000766143 [0,1,0,1,0,0|2,0,0]=4 11757 B15R1.34 O=C1CC[C@@H](N1)CNCCCCCCF 2230a_100015423886_100015922095 [0,1,0,1,0,0|2,0,0]=4 11758 B15R1.34 O=C1CC[C@@H](N1)CNCCCCCCF 34a_100015423886_100015922095 [0,1,0,1,0,0|2,0,0]=4 11759 B15R1.34 O=C1CC[C@@H](N1)CNCCCCCCO 2230a_100015423886_100000766143 [0,1,0,1,0,0|2,0,0]=4 11760 B15R1.34 O=C1CC[C@@H](N1)CNCCCCCCO 34a_100015423886_100000766143 [0,1,0,1,0,0|2,0,0]=4 11761 B15R1.34 O=C1CC[C@H](N1)CNCCCCCCO 2230a_100000686447_100015189358 [0,1,0,1,0,0|2,0,0]=4 11762 B15R1.34 O=C1CC[C@H](N1)COCCCCCCBr 7a_100011215345_100015189358 [0,1,0,1,0,0|2,0,0]=4 11763 B15R1.34 O=C1CC[C@H](N1)COCCCCCCCl 7a_100000766143_100015189358 [0,1,0,1,0,0|2,0,0]=4 11764 B15R1.34 O=C1CC[C@H](N1)COCCCCCCF 7a_100000732779_100015189358 [0,1,0,1,0,0|2,0,0]=4 11765 B15R1.34 O=C1CC[C@H](N1)CSCCCCCCF 62a_100015189358_100015922095 [0,1,0,1,0,0|2,0,0]=4 11766 B15R1.34 O=C1CC[C@H](N1)CSCCCCCCF 62a_100015922095_100015189358 [0,1,0,1,0,0|2,0,0]=4 11767 B15R1.34 O=C1CC[C@H](N1)CSCCCCCCO 62a_100000766143_100015189358 [0,1,0,1,0,0|2,0,0]=4 11768 B15R1.34 O=C1CC[C@H](N1)CSCCCCCCO 62a_100015189358_100000766143 [0,1,0,1,0,0|2,0,0]=4 11769 B15R1.85 CCC1CCCCC1NCCC(=O)NC 269862a_100000738227_100000757040 [0,1,0,1,0,0|2,0,0]=4 11770 B15R1.85 CCC1CCCCC1NCCC(=O)NC 270004a_100000738227_100000757040 [0,1,0,1,0,0|2,0,0]=4 11771 B15R1.85 CCC1CCCCC1OCCC(=O)NC 34a_100000210738_100012179268 [0,1,0,1,0,0|2,0,0]=4 11772 B15R1.85 CCC1CCCCC1OCCC(=O)NC 7a_100000210738_100000737683 [0,1,0,1,0,0|2,0,0]=4 11773 B15R1.85 CCC1CCCCC1OCCC(=O)OC 34a_100000210738_100000742370 [0,1,0,1,0,0|2,0,0]=4 11774 B15R1.85 CCC1CCCCC1OCCC(=O)OC 7a_100000210738_100000204255 [0,1,0,1,0,0|2,0,0]=4 11775 B15R1.85 CCC1CCCCN1CCCC(=O)NC 2230a_100000210034_100000741757 [0,1,0,1,0,0|2,0,0]=4 11776 B15R1.85 CCC1CCCCN1CCCC(=O)NC 269982a_100000210034_100000741757 [0,1,0,1,0,0|2,0,0]=4 11777 B15R1.85 CCC1CCCCN1CCCC(=O)NC 34a_100000210034_100000741757 [0,1,0,1,0,0|2,0,0]=4 11778 B15R1.85 CCC1CCCCN1CCCC(=O)OC 2230a_100000210034_100011218270 [0,1,0,1,0,0|2,0,0]=4 11779 B15R1.85 CCC1CCCCN1CCCC(=O)OC 269982a_100000210034_100011218270 [0,1,0,1,0,0|2,0,0]=4 11780 B15R1.85 CCC1CCCCN1CCCC(=O)OC 34a_100000210034_100000742333 [0,1,0,1,0,0|2,0,0]=4 11781 B15R1.251 CCCCCCN1CCC[C@H]1C(=O)NC 2230a_100015185040_100000210314 [0,1,0,1,0,0|2,0,0]=4 11782 B15R1.251 CCCCCCN1CCC[C@H]1C(=O)NC 269982a_100015185040_100000210757 [0,1,0,1,0,0|2,0,0]=4 11783 B15R1.251 CCCCCCN1CCC[C@H]1C(=O)NC 34a_100015185040_100000210314 [0,1,0,1,0,0|2,0,0]=4 11784 B15R1.251 CCCCCCN1CCC[C@H]1C(=O)OC 2230a_100000752040_100000210314 [0,1,0,1,0,0|2,0,0]=4 11785 B15R1.251 CCCCCCN1CCC[C@H]1C(=O)OC 269982a_100000752040_100000210757 [0,1,0,1,0,0|2,0,0]=4 11786 B15R1.251 CCCCCOC1CCCC1C(=O)OC 34a_200000081814_100000718602 [0,1,0,1,0,0|2,0,0]=4 11787 B15R1.251 CCCCCOC1CCCC1C(=O)OC 7a_200000081814_100000210326 [0,1,0,1,0,0|2,0,0]=4 11788 B15R1.273 CCCC1CCCCC1NCC(=O)NC 269862a_100000693194_100011218038 [0,1,0,1,0,0|2,0,0]=4 11789 B15R1.273 CCCC1CCCCC1NCC(=O)NC 270004a_100000693194_100011218038 [0,1,0,1,0,0|2,0,0]=4 11790 B15R1.273 CCCC1CCCCC1OCC(=O)CC 7a_100011217265_100000747405 [0,1,0,1,0,0|2,0,0]=4 11791 B15R1.273 CCCC1CCCCC1OCC(=O)NC 34a_100011217265_100000183359 [0,1,0,1,0,0|2,0,0]=4 11792 B15R1.273 CCCC1CCCCC1OCC(=O)NC 7a_100011217265_100000183359 [0,1,0,1,0,0|2,0,0]=4 11793 B15R1.273 CCCC1CCCCC1OCC(=O)OC 34a_100011217265_100000747449 [0,1,0,1,0,0|2,0,0]=4 11794 B15R1.273 CCCC1CCCCC1OCC(=O)OC 7a_100011217265_100000747449 [0,1,0,1,0,0|2,0,0]=4 11795 B15R1.273 CCCC1CCCCN1CCC(=O)NC 2230a_100000701414_100000737683 [0,1,0,1,0,0|2,0,0]=4 11796 B15R1.273 CCCC1CCCCN1CCC(=O)NC 269982a_100000701414_100000737683 [0,1,0,1,0,0|2,0,0]=4 11797 B15R1.273 CCCC1CCCCN1CCC(=O)NC 34a_100000701414_100012179268 [0,1,0,1,0,0|2,0,0]=4 11798 B15R1.273 CCCC1CCCCN1CCC(=O)OC 2230a_100000701414_100000204255 [0,1,0,1,0,0|2,0,0]=4 11799 B15R1.273 CCCC1CCCCN1CCC(=O)OC 269982a_100000701414_100000204255 [0,1,0,1,0,0|2,0,0]=4 11800 B15R1.273 CCCC1CCCCN1CCC(=O)OC 34a_100000701414_100000742370 [0,1,0,1,0,0|2,0,0]=4 11801 B15R1.605 CCCC1CCCC1NCCC(=O)NC 269862a_100000738227_100000723119 [0,1,0,1,0,0|2,0,0]=4 11802 B15R1.605 CCCC1CCCC1NCCC(=O)NC 270004a_100000738227_100000723119 [0,1,0,1,0,0|2,0,0]=4 11803 B15R1.853 CCCCC1CCCC1NCC(=O)NC 269862a_100000693194_100000750825 [0,1,0,1,0,0|2,0,0]=4 11804 B15R1.853 CCCCC1CCCC1NCC(=O)NC 270004a_100000693194_100000750825 [0,1,0,1,0,0|2,0,0]=4 11805 B15R1.962 CCC(=O)CCCCCN1CCCCC1 1458a_100012051570_100000210202 [0,1,0,1,0,0|2,0,0]=4 11806 B15R1.962 CCC(=O)COCCCC1CCCCC1 34a_100000725409_100011713725 [0,1,0,1,0,0|2,0,0]=4 11807 B15R1.962 CCC(=O)COCCCC1CCCCC1 7a_100000198086_100000747405 [0,1,0,1,0,0|2,0,0]=4 11808 B15R1.962 CCC(=O)CSCCCC1CCCCC1 62a_100000747405_100011713725 [0,1,0,1,0,0|2,0,0]=4 11809 B15R1.962 CCC(=O)CSCCCC1CCCCC1 62a_100011713725_100000747405 [0,1,0,1,0,0|2,0,0]=4 11810 B15R1.962 CNC(=O)CCCCCN1CCCCC1 11a_106832991635_100012051570 [0,1,0,1,0,0|2,0,0]=4 11811 B15R1.962 CNC(=O)CCCCCN1CCCCC1 240690a_100102657272_100012051570 [0,1,0,1,0,0|2,0,0]=4 11812 B15R1.962 CNC(=O)CCCNCC1CCCCC1 2230a_100000210473_100000741757 [0,1,0,1,0,0|2,0,0]=4 11813 B15R1.962 CNC(=O)CCCNCC1CCCCC1 2230a_100000740002_100000211423 [0,1,0,1,0,0|2,0,0]=4 11814 B15R1.962 CNC(=O)CCCNCC1CCCCC1 269862a_100000740002_100000211278 [0,1,0,1,0,0|2,0,0]=4 11815 B15R1.962 CNC(=O)CCCNCC1CCCCC1 34a_100000210473_100000741757 [0,1,0,1,0,0|2,0,0]=4 11816 B15R1.962 CNC(=O)CCCNCC1CCCCC1 34a_100000740002_100000211423 [0,1,0,1,0,0|2,0,0]=4 11817 B15R1.962 CNC(=O)CCCOCC1CCCCC1 34a_100000212181_100000741757 [0,1,0,1,0,0|2,0,0]=4 11818 B15R1.962 CNC(=O)CCCOCC1CCCCC1 7a_100000212181_100000741757 [0,1,0,1,0,0|2,0,0]=4 11819 B15R1.962 CNC(=O)CCCSCC1CCCCC1 62a_100000211423_100000741757 [0,1,0,1,0,0|2,0,0]=4 11820 B15R1.962 CNC(=O)CCCSCC1CCCCC1 62a_100000741757_100000211423 [0,1,0,1,0,0|2,0,0]=4 11821 B15R1.962 CNC(=O)CCNCCC1CCCCC1 2230a_100000738074_100000737683 [0,1,0,1,0,0|2,0,0]=4 11822 B15R1.962 CNC(=O)CCNCCC1CCCCC1 2230a_100000738227_100012355289 [0,1,0,1,0,0|2,0,0]=4 11823 B15R1.962 CNC(=O)CCNCCC1CCCCC1 270004a_100000738227_100011713444 [0,1,0,1,0,0|2,0,0]=4 11824 B15R1.962 CNC(=O)CCNCCC1CCCCC1 34a_100000738074_100012179268 [0,1,0,1,0,0|2,0,0]=4 11825 B15R1.962 CNC(=O)CCNCCC1CCCCC1 34a_100000738227_100011209188 [0,1,0,1,0,0|2,0,0]=4 11826 B15R1.962 CNC(=O)CCOCCC1CCCCC1 34a_100000754576_100011209188 [0,1,0,1,0,0|2,0,0]=4 11827 B15R1.962 CNC(=O)CCOCCC1CCCCC1 34a_100011217863_100012179268 [0,1,0,1,0,0|2,0,0]=4 11828 B15R1.962 CNC(=O)CCOCCC1CCCCC1 7a_100011217863_100000737683 [0,1,0,1,0,0|2,0,0]=4 11829 B15R1.962 CNC(=O)CCSCCC1CCCCC1 62a_100000737683_100012355289 [0,1,0,1,0,0|2,0,0]=4 11830 B15R1.962 CNC(=O)CCSCCC1CCCCC1 62a_100012355289_100000737683 [0,1,0,1,0,0|2,0,0]=4 11831 B15R1.962 CNC(=O)CNCCCC1CCCCC1 2230a_100000693194_100011713725 [0,1,0,1,0,0|2,0,0]=4 11832 B15R1.962 CNC(=O)CNCCCC1CCCCC1 2230a_100011211642_100000183359 [0,1,0,1,0,0|2,0,0]=4 11833 B15R1.962 CNC(=O)CNCCCC1CCCCC1 34a_100011211642_100000183359 [0,1,0,1,0,0|2,0,0]=4 11834 B15R1.962 CNC(=O)COCCCC1CCCCC1 34a_100000198086_100000183359 [0,1,0,1,0,0|2,0,0]=4 11835 B15R1.962 CNC(=O)COCCCC1CCCCC1 34a_100000750040_100011713725 [0,1,0,1,0,0|2,0,0]=4 11836 B15R1.962 CNC(=O)COCCCC1CCCCC1 7a_100000198086_100000183359 [0,1,0,1,0,0|2,0,0]=4 11837 B15R1.962 CNC(=O)CSCCCC1CCCCC1 62a_100000183359_100011713725 [0,1,0,1,0,0|2,0,0]=4 11838 B15R1.962 CNC(=O)CSCCCC1CCCCC1 62a_100011713725_100000183359 [0,1,0,1,0,0|2,0,0]=4 11839 B15R1.962 COC(=O)CCCCNC1CCCCC1 2230a_100000182618_100000204269 [0,1,0,1,0,0|2,0,0]=4 11840 B15R1.962 COC(=O)CCCCNC1CCCCC1 34a_100000182618_100000204269 [0,1,0,1,0,0|2,0,0]=4 11841 B15R1.962 COC(=O)CCCCOC1CCCCC1 34a_100000059025_100000210327 [0,1,0,1,0,0|2,0,0]=4 11842 B15R1.962 COC(=O)CCCCOC1CCCCC1 34a_100000210231_100000204269 [0,1,0,1,0,0|2,0,0]=4 11843 B15R1.962 COC(=O)CCCCOC1CCCCC1 7a_100000059025_100000210327 [0,1,0,1,0,0|2,0,0]=4 11844 B15R1.962 COC(=O)CCCCOC1CCCCC1 7a_100000210231_100000204269 [0,1,0,1,0,0|2,0,0]=4 11845 B15R1.962 COC(=O)CCCCSC1CCCCC1 62a_100000204269_100000210327 [0,1,0,1,0,0|2,0,0]=4 11846 B15R1.962 COC(=O)CCCCSC1CCCCC1 62a_100000210327_100000204269 [0,1,0,1,0,0|2,0,0]=4 11847 B15R1.962 COC(=O)CCCNCC1CCCCC1 2230a_100000210473_100011218270 [0,1,0,1,0,0|2,0,0]=4 11848 B15R1.962 COC(=O)CCCNCC1CCCCC1 34a_100000210473_100000742333 [0,1,0,1,0,0|2,0,0]=4 11849 B15R1.962 COC(=O)CCCOCC1CCCCC1 34a_100000212181_100000742333 [0,1,0,1,0,0|2,0,0]=4 11850 B15R1.962 COC(=O)CCCOCC1CCCCC1 7a_100000212181_100011218270 [0,1,0,1,0,0|2,0,0]=4 11851 B15R1.962 COC(=O)CCCSCC1CCCCC1 62a_100000211423_100011218270 [0,1,0,1,0,0|2,0,0]=4 11852 B15R1.962 COC(=O)CCCSCC1CCCCC1 62a_100011218270_100000211423 [0,1,0,1,0,0|2,0,0]=4 11853 B15R1.962 COC(=O)CCNCCC1CCCCC1 2230a_100000738074_100000204255 [0,1,0,1,0,0|2,0,0]=4 11854 B15R1.962 COC(=O)CCNCCC1CCCCC1 34a_100000738074_100000742370 [0,1,0,1,0,0|2,0,0]=4 11855 B15R1.962 COC(=O)CCOCCC1CCCCC1 34a_100011217863_100000742370 [0,1,0,1,0,0|2,0,0]=4 11856 B15R1.962 COC(=O)CCOCCC1CCCCC1 7a_100011217863_100000204255 [0,1,0,1,0,0|2,0,0]=4 11857 B15R1.962 COC(=O)CCSCCC1CCCCC1 62a_100000204255_100012355289 [0,1,0,1,0,0|2,0,0]=4 11858 B15R1.962 COC(=O)CCSCCC1CCCCC1 62a_100012355289_100000204255 [0,1,0,1,0,0|2,0,0]=4 11859 B15R1.962 COC(=O)CNCCCC1CCCCC1 2230a_100011211642_100000747449 [0,1,0,1,0,0|2,0,0]=4 11860 B15R1.962 COC(=O)CNCCCC1CCCCC1 34a_100011211642_100000747449 [0,1,0,1,0,0|2,0,0]=4 11861 B15R1.962 COC(=O)COCCCC1CCCCC1 34a_100000198086_100000747449 [0,1,0,1,0,0|2,0,0]=4 11862 B15R1.962 COC(=O)COCCCC1CCCCC1 7a_100000198086_100000747449 [0,1,0,1,0,0|2,0,0]=4 11863 B15R1.962 COC(=O)CSCCCC1CCCCC1 62a_100000747449_100011713725 [0,1,0,1,0,0|2,0,0]=4 11864 B15R1.962 COC(=O)CSCCCC1CCCCC1 62a_100011713725_100000747449 [0,1,0,1,0,0|2,0,0]=4 11865 B15R1.962 NNC(=O)CCCOCC1CCCCC1 34a_100000211488_100000211423 [0,1,0,1,0,0|2,0,0]=4 11866 B15R1.962 O=C(CF)CCCCCN1CCCCC1 1458a_100012051570_100015361967 [0,1,0,1,0,0|1,1,0]=4 11867 B15R1.975 CNC(=O)CCCNCCC1CCCC1 2230a_100000739158_100000741757 [0,1,0,1,0,0|2,0,0]=4 11868 B15R1.975 CNC(=O)CCCNCCC1CCCC1 2230a_100000740002_100000760354 [0,1,0,1,0,0|2,0,0]=4 11869 B15R1.975 CNC(=O)CCCNCCC1CCCC1 34a_100000739158_100000741757 [0,1,0,1,0,0|2,0,0]=4 11870 B15R1.975 CNC(=O)CCCNCCC1CCCC1 34a_100000740002_100000760354 [0,1,0,1,0,0|2,0,0]=4 11871 B15R1.975 CNC(=O)CCCOCCC1CCCC1 34a_100000749090_100000741757 [0,1,0,1,0,0|2,0,0]=4 11872 B15R1.975 CNC(=O)CCCOCCC1CCCC1 7a_100000749090_100000741757 [0,1,0,1,0,0|2,0,0]=4 11873 B15R1.975 CNC(=O)CCCSCCC1CCCC1 62a_100000741757_100000760354 [0,1,0,1,0,0|2,0,0]=4 11874 B15R1.975 CNC(=O)CCCSCCC1CCCC1 62a_100000760354_100000741757 [0,1,0,1,0,0|2,0,0]=4 11875 B15R1.975 CNC(=O)CCNCCCC1CCCC1 2230a_100000736752_100000737683 [0,1,0,1,0,0|2,0,0]=4 11876 B15R1.975 CNC(=O)CCNCCCC1CCCC1 2230a_100000738227_100011713738 [0,1,0,1,0,0|2,0,0]=4 11877 B15R1.975 CNC(=O)CCNCCCC1CCCC1 34a_100000736752_100012179268 [0,1,0,1,0,0|2,0,0]=4 11878 B15R1.975 CNC(=O)CCNCCCC1CCCC1 34a_100000738227_100011713738 [0,1,0,1,0,0|2,0,0]=4 11879 B15R1.975 CNC(=O)CCOCCCC1CCCC1 34a_100000754576_100011713738 [0,1,0,1,0,0|2,0,0]=4 11880 B15R1.975 CNC(=O)CCOCCCC1CCCC1 34a_100011215328_100012179268 [0,1,0,1,0,0|2,0,0]=4 11881 B15R1.975 CNC(=O)CCOCCCC1CCCC1 7a_100011215328_100000737683 [0,1,0,1,0,0|2,0,0]=4 11882 B15R1.975 CNC(=O)CCSCCCC1CCCC1 62a_100000737683_100011713738 [0,1,0,1,0,0|2,0,0]=4 11883 B15R1.975 CNC(=O)CCSCCCC1CCCC1 62a_100011713738_100000737683 [0,1,0,1,0,0|2,0,0]=4 11884 B15R1.975 COC(=O)CCCCCCN1CCCC1 2230a_100000188435_100009815986 [0,1,0,1,0,0|2,0,0]=4 11885 B15R1.975 COC(=O)CCCCCCN1CCCC1 269982a_100000188435_100009815986 [0,1,0,1,0,0|2,0,0]=4 11886 B15R1.975 COC(=O)CCCCCNC1CCCC1 2230a_100000211070_100009816466 [0,1,0,1,0,0|2,0,0]=4 11887 B15R1.975 COC(=O)CCCCCNC1CCCC1 34a_100000211070_100009816466 [0,1,0,1,0,0|2,0,0]=4 11888 B15R1.975 COC(=O)CCCCCOC1CCCC1 34a_100000074720_100000179811 [0,1,0,1,0,0|2,0,0]=4 11889 B15R1.975 COC(=O)CCCCCOC1CCCC1 34a_100000210269_100009816466 [0,1,0,1,0,0|2,0,0]=4 11890 B15R1.975 COC(=O)CCCCCOC1CCCC1 7a_100000074720_100000179811 [0,1,0,1,0,0|2,0,0]=4 11891 B15R1.975 COC(=O)CCCCCOC1CCCC1 7a_100000210269_100009816466 [0,1,0,1,0,0|2,0,0]=4 11892 B15R1.975 COC(=O)CCCCCSC1CCCC1 62a_100009816466_100000179811 [0,1,0,1,0,0|2,0,0]=4 11893 B15R1.975 COC(=O)CCCCCSC1CCCC1 62a_100011217020_100009816466 [0,1,0,1,0,0|2,0,0]=4 11894 B15R1.975 COC(=O)CCCCNCC1CCCC1 2230a_100000737975_100000204269 [0,1,0,1,0,0|2,0,0]=4 11895 B15R1.975 COC(=O)CCCCNCC1CCCC1 34a_100000737975_100000204269 [0,1,0,1,0,0|2,0,0]=4 11896 B15R1.975 COC(=O)CCCCOCC1CCCC1 34a_100000059025_100000740388 [0,1,0,1,0,0|2,0,0]=4 11897 B15R1.975 COC(=O)CCCCOCC1CCCC1 34a_100000742336_100000204269 [0,1,0,1,0,0|2,0,0]=4 11898 B15R1.975 COC(=O)CCCCOCC1CCCC1 7a_100000059025_100000740388 [0,1,0,1,0,0|2,0,0]=4 11899 B15R1.975 COC(=O)CCCCOCC1CCCC1 7a_100000742336_100000204269 [0,1,0,1,0,0|2,0,0]=4 11900 B15R1.975 COC(=O)CCCCSCC1CCCC1 62a_100000204269_100000740388 [0,1,0,1,0,0|2,0,0]=4 11901 B15R1.975 COC(=O)CCCCSCC1CCCC1 62a_100000740388_100000204269 [0,1,0,1,0,0|2,0,0]=4 11902 B15R1.975 COC(=O)CCCNCCC1CCCC1 2230a_100000739158_100011218270 [0,1,0,1,0,0|2,0,0]=4 11903 B15R1.975 COC(=O)CCCNCCC1CCCC1 34a_100000739158_100000742333 [0,1,0,1,0,0|2,0,0]=4 11904 B15R1.975 COC(=O)CCCOCCC1CCCC1 34a_100000749090_100000742333 [0,1,0,1,0,0|2,0,0]=4 11905 B15R1.975 COC(=O)CCCOCCC1CCCC1 7a_100000749090_100011218270 [0,1,0,1,0,0|2,0,0]=4 11906 B15R1.975 COC(=O)CCCSCCC1CCCC1 62a_100000760354_100011218270 [0,1,0,1,0,0|2,0,0]=4 11907 B15R1.975 COC(=O)CCCSCCC1CCCC1 62a_100011218270_100000760354 [0,1,0,1,0,0|2,0,0]=4 11908 B15R1.975 COC(=O)CCNCCCC1CCCC1 2230a_100000736752_100000204255 [0,1,0,1,0,0|2,0,0]=4 11909 B15R1.975 COC(=O)CCNCCCC1CCCC1 34a_100000736752_100000742370 [0,1,0,1,0,0|2,0,0]=4 11910 B15R1.975 COC(=O)CCOCCCC1CCCC1 34a_100011215328_100000742370 [0,1,0,1,0,0|2,0,0]=4 11911 B15R1.975 COC(=O)CCOCCCC1CCCC1 7a_100011215328_100000204255 [0,1,0,1,0,0|2,0,0]=4 11912 B15R1.975 COC(=O)CCSCCCC1CCCC1 62a_100000204255_100011713738 [0,1,0,1,0,0|2,0,0]=4 11913 B15R1.975 COC(=O)CCSCCCC1CCCC1 62a_100011713738_100000204255 [0,1,0,1,0,0|2,0,0]=4 11914 B15R1.975 NNC(=O)CCCOCCC1CCCC1 34a_100000211488_100000760354 [0,1,0,1,0,0|2,0,0]=4 11915 B15R1.1091 CNC(=O)CCCNC1CCCCC1C 2230a_100000211402_100000741757 [0,1,0,1,0,0|2,0,0]=4 11916 B15R1.1091 CNC(=O)CCCNC1CCCCC1C 269862a_100000740002_100000210921 [0,1,0,1,0,0|2,0,0]=4 11917 B15R1.1091 CNC(=O)CCCNC1CCCCC1C 270004a_100000740002_100000210921 [0,1,0,1,0,0|2,0,0]=4 11918 B15R1.1091 CNC(=O)CCCNC1CCCCC1C 34a_100000211402_100000741757 [0,1,0,1,0,0|2,0,0]=4 11919 B15R1.1091 CNC(=O)CCCOC1CCCCC1C 34a_100000211207_100000741757 [0,1,0,1,0,0|2,0,0]=4 11920 B15R1.1091 CNC(=O)CCCOC1CCCCC1C 7a_100000211207_100000741757 [0,1,0,1,0,0|2,0,0]=4 11921 B15R1.1091 COC(=O)CCCCN1CCCCC1C 2230a_100000211376_100000204269 [0,1,0,1,0,0|2,0,0]=4 11922 B15R1.1091 COC(=O)CCCCN1CCCCC1C 269982a_100000211376_100000204269 [0,1,0,1,0,0|2,0,0]=4 11923 B15R1.1091 COC(=O)CCCCN1CCCCC1C 34a_100000211376_100000204269 [0,1,0,1,0,0|2,0,0]=4 11924 B15R1.1091 COC(=O)CCCNC1CCCCC1C 2230a_100000211402_100011218270 [0,1,0,1,0,0|2,0,0]=4 11925 B15R1.1091 COC(=O)CCCNC1CCCCC1C 34a_100000211402_100000742333 [0,1,0,1,0,0|2,0,0]=4 11926 B15R1.1091 COC(=O)CCCOC1CCCCC1C 34a_100000211207_100000742333 [0,1,0,1,0,0|2,0,0]=4 11927 B15R1.1091 COC(=O)CCCOC1CCCCC1C 7a_100000211207_100011218270 [0,1,0,1,0,0|2,0,0]=4 11928 B15R1.1102 COC(=O)CCCCCCCN1CCC1 269982a_100000754969_100010004213 [0,1,0,1,0,0|2,0,0]=4 11929 B15R1.1102 COC(=O)CCCCCCNC1CCC1 2230a_100000749019_100009815986 [0,1,0,1,0,0|2,0,0]=4 11930 B15R1.1102 COC(=O)CCCCCCNC1CCC1 34a_100000749019_100009815986 [0,1,0,1,0,0|2,0,0]=4 11931 B15R1.1102 COC(=O)CCCCCCOC1CCC1 34a_100000748187_100009815986 [0,1,0,1,0,0|2,0,0]=4 11932 B15R1.1102 COC(=O)CCCCCCOC1CCC1 34a_100009863599_100000749161 [0,1,0,1,0,0|2,0,0]=4 11933 B15R1.1102 COC(=O)CCCCCCSC1CCC1 62a_100009815986_100000749161 [0,1,0,1,0,0|2,0,0]=4 11934 B15R1.1102 COC(=O)CCCCCNCC1CCC1 2230a_100000738700_100009816466 [0,1,0,1,0,0|2,0,0]=4 11935 B15R1.1102 COC(=O)CCCCCNCC1CCC1 34a_100000738700_100009816466 [0,1,0,1,0,0|2,0,0]=4 11936 B15R1.1102 COC(=O)CCCCCOCC1CCC1 34a_100000074720_100000763275 [0,1,0,1,0,0|2,0,0]=4 11937 B15R1.1102 COC(=O)CCCCCOCC1CCC1 34a_100000760304_100009816466 [0,1,0,1,0,0|2,0,0]=4 11938 B15R1.1102 COC(=O)CCCCCOCC1CCC1 7a_100000074720_100000763275 [0,1,0,1,0,0|2,0,0]=4 11939 B15R1.1102 COC(=O)CCCCCSCC1CCC1 62a_100000763275_100009816466 [0,1,0,1,0,0|2,0,0]=4 11940 B15R1.1102 COC(=O)CCCCCSCC1CCC1 62a_100009816466_100000763275 [0,1,0,1,0,0|2,0,0]=4 11941 B15R1.1191 CCCCCN1CCCCC1C(=O)NC 2230a_100011209383_100000210326 [0,1,0,1,0,0|2,0,0]=4 11942 B15R1.1191 CCCCCN1CCCCC1C(=O)NC 269982a_100011209383_100000210215 [0,1,0,1,0,0|2,0,0]=4 11943 B15R1.1191 CCCCCN1CCCCC1C(=O)NC 34a_100011209383_100000718602 [0,1,0,1,0,0|2,0,0]=4 11944 B15R1.1191 CCCCCN1CCCCC1C(=O)OC 2230a_100000734855_100000210326 [0,1,0,1,0,0|2,0,0]=4 11945 B15R1.1191 CCCCCN1CCCCC1C(=O)OC 269982a_100000734855_100000210215 [0,1,0,1,0,0|2,0,0]=4 11946 B15R1.1191 CCCCCN1CCCCC1C(=O)OC 34a_100000734855_100000718602 [0,1,0,1,0,0|2,0,0]=4 11947 B15R1.1191 CCCCO[C@H]1CCCC[C@H]1C(=O)OC 34a_100015709673_100000210210 [0,1,0,1,0,0|2,0,0]=4 11948 B15R1.1191 CCCCO[C@H]1CCCC[C@H]1C(=O)OC 7a_100015709673_100000210211 [0,1,0,1,0,0|2,0,0]=4 11949 B15R1.1203 CCCCCN1CCC[C@@H]1CC(=O)OC 2230a_100025726698_100000210326 [0,1,0,1,0,0|2,0,0]=4 11950 B15R1.1203 CCCCCN1CCC[C@@H]1CC(=O)OC 269982a_100025726698_100000210215 [0,1,0,1,0,0|2,0,0]=4 11951 B15R1.1203 CCCCCN1CCC[C@@H]1CC(=O)OC 34a_100025726698_100000718602 [0,1,0,1,0,0|2,0,0]=4 11952 B15R1.3174 COC(=O)CCCCCN1CCC[C@@H]1C 2230a_100020605311_100009816466 [0,1,0,1,0,0|2,0,0]=4 11953 B15R1.3174 COC(=O)CCCCCN1CCC[C@@H]1C 269982a_100020605311_100009816466 [0,1,0,1,0,0|2,0,0]=4 11954 B15R1.3174 COC(=O)CCCCCN1CCC[C@H]1C 2230a_100015189458_100009816466 [0,1,0,1,0,0|2,0,0]=4 11955 B15R1.3174 COC(=O)CCCCCN1CCC[C@H]1C 269982a_100015189458_100009816466 [0,1,0,1,0,0|2,0,0]=4 11956 B15R1.3174 COC(=O)CCCCCN1CCC[C@H]1C 34a_100015189458_100009816466 [0,1,0,1,0,0|2,0,0]=4 11957 B15R1.3174 COC(=O)CCCCOC1CCCC1C 34a_100011216460_100000204269 [0,1,0,1,0,0|2,0,0]=4 11958 B15R1.3174 COC(=O)CCCCOC1CCCC1C 7a_100011216460_100000204269 [0,1,0,1,0,0|2,0,0]=4 11959 B15R1.3179 COC(=O)CCCCCCN1CCC1C 269982a_100000755817_100009815986 [0,1,0,1,0,0|2,0,0]=4 11960 B15R1.3179 COC(=O)CCCCCCN1CCC1C 34a_100000755817_100009815986 [0,1,0,1,0,0|2,0,0]=4 11961 B15R1.3523 CCCCCCCCCNC1CCC1=O 34a_100000212291_100009892977 [0,1,0,1,0,0|2,0,0]=4 11962 B15R1.3523 CCCCCCCCCOC1CCC1=O 34a_100000210712_100009892977 [0,1,0,1,0,0|2,0,0]=4 11963 B15R1.3523 CCCCCCCCCOC1CCC1=O 7a_100000210712_100009892977 [0,1,0,1,0,0|2,0,0]=4 11964 B15R1.3523 CCCCCCCCCSC1CCC1=O 62a_100009892977_100000210670 [0,1,0,1,0,0|2,0,0]=4 11965 B15R1.3523 CCCCCCCNCCC1CCC1=O 2230a_100000229938_200016118888 [0,1,0,1,0,0|2,0,0]=4 11966 B15R1.3523 CCCCCCCOCCC1CCC1=O 7a_100000210272_200016118888 [0,1,0,1,0,0|2,0,0]=4 11967 B15R1.3523 CCCCCCCSCCC1CCC1=O 62a_100000210614_200016118888 [0,1,0,1,0,0|2,0,0]=4 11968 B15R1.3523 CCCCCCCSCCC1CCC1=O 62a_200016118888_100000210316 [0,1,0,1,0,0|2,0,0]=4 11969 B15R1.3529 CCC1CCCC1NCCCC(=O)NC 269862a_100000740002_100000749056 [0,1,0,1,0,0|2,0,0]=4 11970 B15R1.3529 CCC1CCCC1NCCCC(=O)NC 270004a_100000740002_100000749056 [0,1,0,1,0,0|2,0,0]=4 11971 B15R1.3529 CCC1CCCN1CCCCC(=O)OC 2230a_100000754278_100000204269 [0,1,0,1,0,0|2,0,0]=4 11972 B15R1.3529 CCC1CCCN1CCCCC(=O)OC 269982a_100000754278_100000204269 [0,1,0,1,0,0|2,0,0]=4 11973 B15R1.3529 CCC1CCCN1CCCCC(=O)OC 34a_100000754278_100000204269 [0,1,0,1,0,0|2,0,0]=4 11974 B15R1.4155 CCCCCCCN1CC[C@H]1C(=O)OC 2230a_102516456887_100000210681 [0,1,0,1,0,0|2,0,0]=4 11975 B15R1.4155 CCCCCCCN1CC[C@H]1C(=O)OC 269982a_102516456887_100000210681 [0,1,0,1,0,0|2,0,0]=4 11976 B15R1.6326 CCCCCCCCN1CC1C(=O)OC 2230a_200009830135_100000210759 [0,1,0,1,0,0|2,0,0]=4 11977 B15R1.11427 CNC(=O)CCN1CCCCCCCC1 2230a_100000039187_100000737683 [0,1,0,1,0,0|2,0,0]=4 11978 B15R1.11427 CNC(=O)CCN1CCCCCCCC1 269982a_100000039187_100000737683 [0,1,0,1,0,0|2,0,0]=4 11979 B15R1.11427 CNC(=O)CCN1CCCCCCCC1 34a_100000039187_100012179268 [0,1,0,1,0,0|2,0,0]=4 11980 B15R1.11427 CNC(=O)CNC1CCCCCCCC1 270004a_100000693194_100000038600 [0,1,0,1,0,0|2,0,0]=4 11981 B15R1.11427 COC(=O)CCN1CCCCCCCC1 2230a_100000039187_100000204255 [0,1,0,1,0,0|2,0,0]=4 11982 B15R1.11427 COC(=O)CCN1CCCCCCCC1 269982a_100000039187_100000204255 [0,1,0,1,0,0|2,0,0]=4 11983 B15R1.11427 COC(=O)CCN1CCCCCCCC1 34a_100000039187_100000742370 [0,1,0,1,0,0|2,0,0]=4 11984 B15R1.12309 CNC(=O)CCCNC1CCCCCC1 2230a_100000210984_100000741757 [0,1,0,1,0,0|2,0,0]=4 11985 B15R1.12309 CNC(=O)CCCNC1CCCCCC1 270004a_100000740002_100000210131 [0,1,0,1,0,0|2,0,0]=4 11986 B15R1.12309 CNC(=O)CCCNC1CCCCCC1 34a_100000210984_100000741757 [0,1,0,1,0,0|2,0,0]=4 11987 B15R1.12309 CNC(=O)CCCNC1CCCCCC1 34a_100000740002_100011217769 [0,1,0,1,0,0|2,0,0]=4 11988 B15R1.12309 CNC(=O)CCCOC1CCCCCC1 34a_100000210887_100000741757 [0,1,0,1,0,0|2,0,0]=4 11989 B15R1.12309 CNC(=O)CCCOC1CCCCCC1 7a_100000210887_100000741757 [0,1,0,1,0,0|2,0,0]=4 11990 B15R1.12309 CNC(=O)CCCSC1CCCCCC1 62a_100000741757_100011217769 [0,1,0,1,0,0|2,0,0]=4 11991 B15R1.12309 CNC(=O)CCCSC1CCCCCC1 62a_100011217769_100000741757 [0,1,0,1,0,0|2,0,0]=4 11992 B15R1.12309 CNC(=O)CCNCC1CCCCCC1 2230a_100000738227_200000696569 [0,1,0,1,0,0|2,0,0]=4 11993 B15R1.12309 CNC(=O)CCNCC1CCCCCC1 2230a_100015204231_100000737683 [0,1,0,1,0,0|2,0,0]=4 11994 B15R1.12309 CNC(=O)CCNCC1CCCCCC1 269862a_100000738227_200000763224 [0,1,0,1,0,0|2,0,0]=4 11995 B15R1.12309 CNC(=O)CCNCC1CCCCCC1 34a_100000738227_200000696569 [0,1,0,1,0,0|2,0,0]=4 11996 B15R1.12309 CNC(=O)CCNCC1CCCCCC1 34a_100015204231_100012179268 [0,1,0,1,0,0|2,0,0]=4 11997 B15R1.12309 CNC(=O)CCOCC1CCCCCC1 34a_100000699130_100012179268 [0,1,0,1,0,0|2,0,0]=4 11998 B15R1.12309 CNC(=O)CCOCC1CCCCCC1 34a_100000754576_200000696569 [0,1,0,1,0,0|2,0,0]=4 11999 B15R1.12309 CNC(=O)CCOCC1CCCCCC1 7a_100000699130_100000737683 [0,1,0,1,0,0|2,0,0]=4 12000 B15R1.12309 CNC(=O)CCSCC1CCCCCC1 62a_100000737683_200000696569 [0,1,0,1,0,0|2,0,0]=4 12001 B15R1.12309 CNC(=O)CCSCC1CCCCCC1 62a_200000696569_100000737683 [0,1,0,1,0,0|2,0,0]=4 12002 B15R1.12309 CNC(=O)CNCCC1CCCCCC1 2230a_100011532351_100000183359 [0,1,0,1,0,0|2,0,0]=4 12003 B15R1.12309 CNC(=O)CNCCC1CCCCCC1 34a_100011532351_100000183359 [0,1,0,1,0,0|2,0,0]=4 12004 B15R1.12309 COC(=O)CCCCN1CCCCCC1 2230a_100000185865_100000204269 [0,1,0,1,0,0|2,0,0]=4 12005 B15R1.12309 COC(=O)CCCCN1CCCCCC1 269982a_100000185865_100000204269 [0,1,0,1,0,0|2,0,0]=4 12006 B15R1.12309 COC(=O)CCCCN1CCCCCC1 34a_100000185865_100000204269 [0,1,0,1,0,0|2,0,0]=4 12007 B15R1.12309 COC(=O)CCCNC1CCCCCC1 2230a_100000210984_100011218270 [0,1,0,1,0,0|2,0,0]=4 12008 B15R1.12309 COC(=O)CCCNC1CCCCCC1 34a_100000210984_100000742333 [0,1,0,1,0,0|2,0,0]=4 12009 B15R1.12309 COC(=O)CCCOC1CCCCCC1 34a_100000210887_100000742333 [0,1,0,1,0,0|2,0,0]=4 12010 B15R1.12309 COC(=O)CCCOC1CCCCCC1 7a_100000210887_100011218270 [0,1,0,1,0,0|2,0,0]=4 12011 B15R1.12309 COC(=O)CCCSC1CCCCCC1 62a_100011217769_100011218270 [0,1,0,1,0,0|2,0,0]=4 12012 B15R1.12309 COC(=O)CCCSC1CCCCCC1 62a_100011218270_100011217769 [0,1,0,1,0,0|2,0,0]=4 12013 B15R1.12309 COC(=O)CCNCC1CCCCCC1 2230a_100015204231_100000204255 [0,1,0,1,0,0|2,0,0]=4 12014 B15R1.12309 COC(=O)CCNCC1CCCCCC1 34a_100015204231_100000742370 [0,1,0,1,0,0|2,0,0]=4 12015 B15R1.12309 COC(=O)CCOCC1CCCCCC1 34a_100000699130_100000742370 [0,1,0,1,0,0|2,0,0]=4 12016 B15R1.12309 COC(=O)CCOCC1CCCCCC1 7a_100000699130_100000204255 [0,1,0,1,0,0|2,0,0]=4 12017 B15R1.12309 COC(=O)CCSCC1CCCCCC1 62a_100000204255_200000696569 [0,1,0,1,0,0|2,0,0]=4 12018 B15R1.12309 COC(=O)CCSCC1CCCCCC1 62a_200000696569_100000204255 [0,1,0,1,0,0|2,0,0]=4 12019 B15R1.12309 COC(=O)CNCCC1CCCCCC1 2230a_100011532351_100000747449 [0,1,0,1,0,0|2,0,0]=4 12020 B15R1.12309 COC(=O)CNCCC1CCCCCC1 34a_100011532351_100000747449 [0,1,0,1,0,0|2,0,0]=4 12021 B15R1.12309 NNC(=O)CCCOC1CCCCCC1 34a_100000211488_100011217769 [0,1,0,1,0,0|2,0,0]=4 12022 B15R1.12436 C=CC(=O)NCCC1CCCCCCC1 1626a_100011532352_100000185746 [0,1,0,1,0,0|2,0,0]=4 12023 B15R1.12436 C=CC(=O)NCCC1CCCCCCC1 240690a_100011532352_200121576911 [0,1,0,1,0,0|2,0,0]=4 12024 B15R1.12436 CCC(=O)COCC1CCCCCCC1 7a_100011216312_100000747405 [0,1,0,1,0,0|2,0,0]=4 12025 B15R1.12436 CCC(=O)NCCC1CCCCCCC1 11a_100011532352_100000210414 [0,1,0,1,0,0|2,0,0]=4 12026 B15R1.12436 CCC(=O)NCCC1CCCCCCC1 1626a_100011532352_100000210414 [0,1,0,1,0,0|2,0,0]=4 12027 B15R1.12436 CCC(=O)NCCC1CCCCCCC1 240690a_100011532352_100000210414 [0,1,0,1,0,0|2,0,0]=4 12028 B15R1.12436 CCC(=O)NCCC1CCCCCCC1 527a_100011532352_100000210414 [0,1,0,1,0,0|2,0,0]=4 12029 B15R1.12436 CNC(=O)CCCN1CCCCCCC1 2230a_100000211400_100000741757 [0,1,0,1,0,0|2,0,0]=4 12030 B15R1.12436 CNC(=O)CCCN1CCCCCCC1 269982a_100000211400_100000741757 [0,1,0,1,0,0|2,0,0]=4 12031 B15R1.12436 CNC(=O)CCCN1CCCCCCC1 34a_100000211400_100000741757 [0,1,0,1,0,0|2,0,0]=4 12032 B15R1.12436 CNC(=O)CCNC1CCCCCCC1 2230a_100000211152_100000737683 [0,1,0,1,0,0|2,0,0]=4 12033 B15R1.12436 CNC(=O)CCNC1CCCCCCC1 270004a_100000738227_100000210524 [0,1,0,1,0,0|2,0,0]=4 12034 B15R1.12436 CNC(=O)CCNC1CCCCCCC1 34a_100000211152_100012179268 [0,1,0,1,0,0|2,0,0]=4 12035 B15R1.12436 CNC(=O)CCOC1CCCCCCC1 34a_100000210054_100012179268 [0,1,0,1,0,0|2,0,0]=4 12036 B15R1.12436 CNC(=O)CCOC1CCCCCCC1 7a_100000210054_100000737683 [0,1,0,1,0,0|2,0,0]=4 12037 B15R1.12436 CNC(=O)COCC1CCCCCCC1 34a_100011216312_100000183359 [0,1,0,1,0,0|2,0,0]=4 12038 B15R1.12436 CNC(=O)COCC1CCCCCCC1 7a_100011216312_100000183359 [0,1,0,1,0,0|2,0,0]=4 12039 B15R1.12436 CNC(=O)NCCC1CCCCCCC1 2708a_100011532352_106832991635 [0,1,0,1,0,0|2,0,0]=4 12040 B15R1.12436 CNC(=O)NCCC1CCCCCCC1 2708a_100102657272_100011532352 [0,1,0,1,0,0|2,0,0]=4 12041 B15R1.12436 CNC(=O)NCCC1CCCCCCC1 273464a_100011532352_100102657272 [0,1,0,1,0,0|2,0,0]=4 12042 B15R1.12436 CNC(=O)NCCC1CCCCCCC1 273464a_100102657272_100011532352 [0,1,0,1,0,0|2,0,0]=4 12043 B15R1.12436 CNC(=O)NCCC1CCCCCCC1 512a_106832991638_100011532352 [0,1,0,1,0,0|2,0,0]=4 12044 B15R1.12436 COC(=O)CCCN1CCCCCCC1 2230a_100000211400_100011218270 [0,1,0,1,0,0|2,0,0]=4 12045 B15R1.12436 COC(=O)CCCN1CCCCCCC1 269982a_100000211400_100011218270 [0,1,0,1,0,0|2,0,0]=4 12046 B15R1.12436 COC(=O)CCCN1CCCCCCC1 34a_100000211400_100000742333 [0,1,0,1,0,0|2,0,0]=4 12047 B15R1.12436 COC(=O)CCNC1CCCCCCC1 2230a_100000211152_100000204255 [0,1,0,1,0,0|2,0,0]=4 12048 B15R1.12436 COC(=O)CCNC1CCCCCCC1 34a_100000211152_100000742370 [0,1,0,1,0,0|2,0,0]=4 12049 B15R1.12436 COC(=O)CCOC1CCCCCCC1 34a_100000210054_100000742370 [0,1,0,1,0,0|2,0,0]=4 12050 B15R1.12436 COC(=O)CCOC1CCCCCCC1 7a_100000210054_100000204255 [0,1,0,1,0,0|2,0,0]=4 12051 B15R1.12436 COC(=O)COCC1CCCCCCC1 34a_100011216312_100000747449 [0,1,0,1,0,0|2,0,0]=4 12052 B15R1.12436 COC(=O)COCC1CCCCCCC1 7a_100011216312_100000747449 [0,1,0,1,0,0|2,0,0]=4 12053 B15R1.12436 O=C(CO)NCCC1CCCCCCC1 240690a_100011532352_100000210174 [0,1,0,1,0,0|2,0,0]=4 12054 B15R1.12436 O=C(CO)NCCC1CCCCCCC1 527a_100011532352_100000210174 [0,1,0,1,0,0|2,0,0]=4 12055 B15R1.237 CCCCCCN1CCCC(C1)C(=O)N 2230a_100000195536_100000210314 [0,1,0,1,0,0|2,0,0]=4 12056 B15R1.237 CCCCCCN1CCCC(C1)C(=O)N 269982a_100000195536_100000210757 [0,1,0,1,0,0|2,0,0]=4 12057 B15R1.237 CCCCCCN1CCCC(C1)C(=O)N 34a_100000195536_100000210314 [0,1,0,1,0,0|2,0,0]=4 12058 B15R1.237 CCCCCNC1CCCC(C1)C(=O)N 2230a_100000749473_100000210326 [0,1,0,1,0,0|2,0,0]=4 12059 B15R1.237 CCCCCNC1CCCC(C1)C(=O)N 34a_100000749473_100000718602 [0,1,0,1,0,0|2,0,0]=4 12060 B15R1.237 CCCCCNC1CCCC(C1)C(=O)O 269956a_100011216634_100000210326 [0,1,0,1,0,0|2,0,0]=4 12061 B15R1.272 CCCC1CCCCC1N[C@H](C)C(=O)N 270004a_100000119354_100011218038 [0,1,0,1,0,0|2,0,0]=4 12062 B15R1.272 CCCC1CCCCC1OC(C)C(=O)C 7a_100011217265_100000179758 [0,1,0,1,0,0|2,0,0]=4 12063 B15R1.272 CCCC1CCCCC1OC(C)C(=O)N 34a_100011217265_100000702099 [0,1,0,1,0,0|2,0,0]=4 12064 B15R1.272 CCCC1CCCCC1OC(C)C(=O)N 7a_100011217265_100000702099 [0,1,0,1,0,0|2,0,0]=4 12065 B15R1.272 CCCC1CCCCC1OC(F)C(=O)N 34a_100011217265_100009813875 [0,1,0,1,0,0|2,0,0]=4 12066 B15R1.272 CCCC1CCCCC1OC(F)C(=O)N 7a_100011217265_100009813875 [0,1,0,1,0,0|2,0,0]=4 12067 B15R1.272 CCCC1CCCCC1OC(F)C(=O)[O-] 34a_100011217265_100020610796 [0,1,0,1,0,0|2,0,0]=4 12068 B15R1.2098 CCCCCN1CCCCC1(C)C(=O)O 269956a_100000698061_100000210326 [0,1,0,1,0,0|2,0,0]=4 12069 B15R1.3664 CC(=O)C(C)COCCC1CCCCC1 34a_100000032740_100011209188 [0,1,0,1,0,0|2,0,0]=4 12070 B15R1.3664 CC(=O)C(C)COCCC1CCCCC1 7a_100000032740_100011273959 [0,1,0,1,0,0|2,0,0]=4 12071 B15R1.3664 CC(=O)C(C)NCCCC1CCCCC1 2230a_100011211642_100009814033 [0,1,0,1,0,0|2,0,0]=4 12072 B15R1.3664 CC(=O)C(C)OCCCC1CCCCC1 34a_100000212229_100011713725 [0,1,0,1,0,0|2,0,0]=4 12073 B15R1.3664 CC(=O)C(C)OCCCC1CCCCC1 7a_100000198086_100000179758 [0,1,0,1,0,0|2,0,0]=4 12074 B15R1.3664 CC(=O)C(C)SCCCC1CCCCC1 62a_100009814033_100011713725 [0,1,0,1,0,0|2,0,0]=4 12075 B15R1.3664 CC(=O)C(C)SCCCC1CCCCC1 62a_100011713725_100009814033 [0,1,0,1,0,0|2,0,0]=4 12076 B15R1.3664 CC(CNCCC1CCCCC1)C(=O)O 269956a_100000749485_100011273959 [0,1,0,1,0,0|2,0,0]=4 12077 B15R1.3664 CC(NCCCC1CCCCC1)C(=O)N 2230a_100011211642_100000702099 [0,1,0,1,0,0|2,0,0]=4 12078 B15R1.3664 CC(NCCCC1CCCCC1)C(=O)N 34a_100011211642_100000702099 [0,1,0,1,0,0|2,0,0]=4 12079 B15R1.3664 CC(OCCCC1CCCCC1)C(=O)N 34a_100000198086_100000702099 [0,1,0,1,0,0|2,0,0]=4 12080 B15R1.3664 CC(OCCCC1CCCCC1)C(=O)N 7a_100000198086_100000702099 [0,1,0,1,0,0|2,0,0]=4 12081 B15R1.3664 CC(SCCCC1CCCCC1)C(=O)N 62a_100000702099_100011713725 [0,1,0,1,0,0|2,0,0]=4 12082 B15R1.3664 CC(SCCCC1CCCCC1)C(=O)N 62a_100011713725_100000702099 [0,1,0,1,0,0|2,0,0]=4 12083 B15R1.3664 C[C@@H](NCCCC1CCCCC1)C(=O)N 2230a_100000119354_100011713725 [0,1,0,1,0,0|2,0,0]=4 12084 B15R1.3664 C[C@@H](NCCCC1CCCCC1)C(=O)N 34a_100000119354_100011713725 [0,1,0,1,0,0|2,0,0]=4 12085 B15R1.3664 C[C@@H](OCCCC1CCCCC1)C(=O)N 34a_100000731257_100011713725 [0,1,0,1,0,0|2,0,0]=4 12086 B15R1.3664 C[C@@H](OCCCC1CCCCC1)C(=O)N 7a_100000731257_100011713725 [0,1,0,1,0,0|2,0,0]=4 12087 B15R1.3664 C[C@H](NCCCC1CCCCC1)C(=O)O 269956a_100000743915_100011713725 [0,1,0,1,0,0|2,0,0]=4 12088 B15R1.3664 C[C@H](OCCCC1CCCCC1)C(=O)[O-] 7a_217856618621_100011713725 [0,1,0,1,0,0|2,0,0]=4 12089 B15R1.3664 NC(=O)C(F)NCCCC1CCCCC1 2230a_100011211642_100009813875 [0,1,0,1,0,0|2,0,0]=4 12090 B15R1.3664 NC(=O)C(F)NCCCC1CCCCC1 34a_100011211642_100009813875 [0,1,0,1,0,0|2,0,0]=4 12091 B15R1.3664 NC(=O)C(F)OCCCC1CCCCC1 34a_100000198086_100009813875 [0,1,0,1,0,0|2,0,0]=4 12092 B15R1.3664 NC(=O)C(F)OCCCC1CCCCC1 7a_100000198086_100009813875 [0,1,0,1,0,0|2,0,0]=4 12093 B15R1.3664 NC(=O)C(F)SCCCC1CCCCC1 62a_100009813875_100011713725 [0,1,0,1,0,0|2,0,0]=4 12094 B15R1.3664 NC(=O)C(F)SCCCC1CCCCC1 62a_100011713725_100009813875 [0,1,0,1,0,0|2,0,0]=4 12095 B15R1.3664 NC(=O)[C@@H](N)COCCC1CCCCC1 34a_100000729942_100011209188 [0,1,0,1,0,0|2,0,0]=4 12096 B15R1.3664 O=C(O)C(F)CNCCC1CCCCC1 269956a_100000084737_100011273959 [0,1,0,1,0,0|2,0,0]=4 12097 B15R1.3664 O=C([O-])C(F)NCCCC1CCCCC1 34a_100011211642_100020610796 [0,1,0,1,0,0|2,0,0]=4 12098 B15R1.3664 O=C([O-])C(F)OCCCC1CCCCC1 34a_100000198086_100020610796 [0,1,0,1,0,0|2,0,0]=4 12099 B15R1.3664 O=C([O-])C(F)SCCCC1CCCCC1 62a_100011713725_100020610796 [0,1,0,1,0,0|2,0,0]=4 12100 B15R1.3664 O=C([O-])C(F)SCCCC1CCCCC1 62a_100020610796_100011713725 [0,1,0,1,0,0|2,0,0]=4 12101 B15R1.3670 CC(=O)C(C)COCCCC1CCCC1 34a_100000032740_100011713738 [0,1,0,1,0,0|2,0,0]=4 12102 B15R1.3670 CC(=O)C(C)COCCCC1CCCC1 7a_100000032740_100011713738 [0,1,0,1,0,0|2,0,0]=4 12103 B15R1.3670 CC(CNCCCC1CCCC1)C(=O)O 269956a_100000749485_100011713738 [0,1,0,1,0,0|2,0,0]=4 12104 B15R1.3670 NC(=O)[C@@H](N)COCCCC1CCCC1 34a_100000729942_100011713738 [0,1,0,1,0,0|2,0,0]=4 12105 B15R1.3670 O=C(O)C(F)CNCCCC1CCCC1 269956a_100000084737_100011713738 [0,1,0,1,0,0|2,0,0]=4 12106 B15R1.4018 CCCCC1CCCC1N[C@H](C)C(=O)N 270004a_100000119354_100000750825 [0,1,0,1,0,0|2,0,0]=4 12107 B15R1.6330 CCCCCCCCN1CC(C1)C(=O)N 34a_100025753142_100000210759 [0,1,0,1,0,0|2,0,0]=4 12108 B15R1.6330 CCCCCCCN[C@H]1C[C@H](C1)C(=O)O 269956a_100000738708_100000210614 [0,1,0,1,0,0|2,0,0]=4 12109 B15R1.6435 CCCCCCN1CCC[C@@]1(C)C(=O)O 269956a_100009816582_100000210757 [0,1,0,1,0,0|2,0,0]=4 12110 B15R1.15940 CC(=O)C(C)COCC1CCCCCC1 34a_100000032740_200000696569 [0,1,0,1,0,0|2,0,0]=4 12111 B15R1.15940 CC(=O)C(C)COCC1CCCCCC1 7a_100000032740_200000696569 [0,1,0,1,0,0|2,0,0]=4 12112 B15R1.15940 CC(=O)C(C)NCCC1CCCCCC1 2230a_100011532351_100009814033 [0,1,0,1,0,0|2,0,0]=4 12113 B15R1.15940 CC(CNCC1CCCCCC1)C(=O)O 269956a_100000749485_200000696569 [0,1,0,1,0,0|2,0,0]=4 12114 B15R1.15940 CC(NCCC1CCCCCC1)C(=O)N 2230a_100011532351_100000702099 [0,1,0,1,0,0|2,0,0]=4 12115 B15R1.15940 CC(NCCC1CCCCCC1)C(=O)N 34a_100011532351_100000702099 [0,1,0,1,0,0|2,0,0]=4 12116 B15R1.15940 NC(=O)C(F)NCCC1CCCCCC1 2230a_100011532351_100009813875 [0,1,0,1,0,0|2,0,0]=4 12117 B15R1.15940 NC(=O)C(F)NCCC1CCCCCC1 34a_100011532351_100009813875 [0,1,0,1,0,0|2,0,0]=4 12118 B15R1.15940 NC(=O)[C@@H](N)COCC1CCCCCC1 34a_100000729942_200000696569 [0,1,0,1,0,0|2,0,0]=4 12119 B15R1.15940 O=C(O)C(F)CNCC1CCCCCC1 269956a_100000084737_200000696569 [0,1,0,1,0,0|2,0,0]=4 12120 B15R1.15940 O=C([O-])C(F)NCCC1CCCCCC1 34a_100011532351_100020610796 [0,1,0,1,0,0|2,0,0]=4 12121 B15R1.15979 CC(=O)C(C)OCC1CCCCCCC1 7a_100011216312_100000179758 [0,1,0,1,0,0|2,0,0]=4 12122 B15R1.15979 CC(OCC1CCCCCCC1)C(=O)N 34a_100011216312_100000702099 [0,1,0,1,0,0|2,0,0]=4 12123 B15R1.15979 CC(OCC1CCCCCCC1)C(=O)N 7a_100011216312_100000702099 [0,1,0,1,0,0|2,0,0]=4 12124 B15R1.15979 NC(=O)C(F)OCC1CCCCCCC1 34a_100011216312_100009813875 [0,1,0,1,0,0|2,0,0]=4 12125 B15R1.15979 NC(=O)C(F)OCC1CCCCCCC1 7a_100011216312_100009813875 [0,1,0,1,0,0|2,0,0]=4 12126 B15R1.15979 O=C([O-])C(F)OCC1CCCCCCC1 34a_100011216312_100020610796 [0,1,0,1,0,0|2,0,0]=4 12127 B15R1.16044 C[C@@H](NC1CCCCCCCC1)C(=O)N 270004a_100000119354_100000038600 [0,1,0,1,0,0|2,0,0]=4 12128 B15R1.86 CCC1CCCCC1N(C)CCC(=O)N 270004a_100000730477_100000757040 [0,1,0,1,0,0|2,0,0]=4 12129 B15R1.233 CCCCCCN1C[C@@H](C[C@H]1C(=O)N)O 2230a_100020587027_100000210314 [0,1,0,1,0,0|2,0,0]=4 12130 B15R1.233 CCCCCCN1C[C@@H](C[C@H]1C(=O)N)O 269982a_100020587027_100000210757 [0,1,0,1,0,0|2,0,0]=4 12131 B15R1.233 CCCCCCN1C[C@H](C[C@H]1C(=O)N)F 2230a_100020614896_100000210314 [0,1,0,1,0,0|2,0,0]=4 12132 B15R1.233 CCCCCCN1C[C@H](C[C@H]1C(=O)N)F 269982a_100020614896_100000210757 [0,1,0,1,0,0|2,0,0]=4 12133 B15R1.233 CCCCCCN1C[C@H](C[C@H]1C(=O)N)F 34a_100020614896_100000210314 [0,1,0,1,0,0|2,0,0]=4 12134 B15R1.233 CCCCCCN1C[C@H](C[C@H]1C(=O)O)F 269956a_100016993324_100000210757 [0,1,0,1,0,0|2,0,0]=4 12135 B15R1.233 CCCCCCN1C[C@H](C[C@H]1C(=O)O)O 269956a_100000750407_100000210757 [0,1,0,1,0,0|2,0,0]=4 12136 B15R1.559 CCCCCN1CC[C@H](C[C@@H]1C(=O)O)C 269956a_100009817619_100000210326 [0,1,0,1,0,0|2,0,0]=4 12137 B15R1.606 CCCC1CCCC1N(C)CCC(=O)N 270004a_100000730477_100000723119 [0,1,0,1,0,0|2,0,0]=4 12138 B15R1.4696 CCCCCCCCC(=O)[C@@H]1CC(=O)N1 1458a_100016090685_100000210759 [0,1,0,1,0,0|1,0,1]=4 12139 B15R1.4696 CCCCCCCCN(C)C1CC(=O)C1 269982a_100000207567_100009894365 [0,1,0,1,0,0|2,0,0]=4 12140 B15R1.5919 CN(CCC(=O)N)CCC1CCCCC1 2230a_100000730477_100012355289 [0,1,0,1,0,0|2,0,0]=4 12141 B15R1.5919 CN(CCC(=O)N)CCC1CCCCC1 270004a_100000730477_100011713444 [0,1,0,1,0,0|2,0,0]=4 12142 B15R1.5919 NC(=O)CCC(=O)CCC1CCCCC1 1458a_100011215257_100011273959 [0,1,0,1,0,0|1,0,1]=4 12143 B15R1.12292 CC(=O)CCN(C)CCCC1CCCC1 269982a_100015186261_100000053229 [0,1,0,1,0,0|2,0,0]=4 12144 B15R1.12292 CN(CCCC1CCCC1)CCC(=O)N 2230a_100000730477_100011713738 [0,1,0,1,0,0|2,0,0]=4 12145 B15R1.12292 CN(CCCC1CCCC1)CCC(=O)N 2230a_100015186261_100000744528 [0,1,0,1,0,0|2,0,0]=4 12146 B15R1.12292 CN(CCCC1CCCC1)CCC(=O)N 269982a_100015186261_100000744528 [0,1,0,1,0,0|2,0,0]=4 12147 B15R1.12292 CN(CCCC1CCCC1)CCC(=O)N 34a_100015186261_100000731001 [0,1,0,1,0,0|2,0,0]=4 12148 B15R1.12292 NC(=O)CCC(=O)CCCC1CCCC1 1458a_100011215257_100011713738 [0,1,0,1,0,0|1,0,1]=4 12149 B15R1.16735 CN(CCC(=O)N)C1CCCCCCC1 270004a_100000730477_100000210524 [0,1,0,1,0,0|2,0,0]=4 12150 B15R1.16777 CN(CCC(=O)N)CC1CCCCCC1 2230a_100000730477_200000696569 [0,1,0,1,0,0|2,0,0]=4 12151 B15R1.16777 NC(=O)CCC(=O)CC1CCCCCC1 1458a_100011215257_200000696569 [0,1,0,1,0,0|1,0,1]=4 12152 B15R1.224 CCCCCCN1CCC(C1)CC(=O)O 269956a_100000719201_100000210757 [0,1,0,1,0,0|2,0,0]=4 12153 B15R1.271 CCCC1CCCCC1N(C)CC(=O)N 270004a_100000739694_100011218038 [0,1,0,1,0,0|2,0,0]=4 12154 B15R1.829 CCCCC1CCCC1N(C)CC(=O)N 270004a_100000739694_100000750825 [0,1,0,1,0,0|2,0,0]=4 12155 B15R1.5503 O=C(O)CC(O)CNCCC1CCCC1 269956a_100011218706_100000760354 [0,1,0,1,0,0|2,0,0]=4 12156 B15R1.9084 CN(CCCC1CCCCC1)CC(=O)N 2230a_100000739694_100011713725 [0,1,0,1,0,0|2,0,0]=4 12157 B15R1.9084 CN(CCCC1CCCCC1)CC(=O)O 269956a_100000746989_100011713725 [0,1,0,1,0,0|2,0,0]=4 12158 B15R1.9084 NC(=O)CC(=O)CCCC1CCCCC1 1458a_100000211478_100000187820 [0,1,0,1,0,0|1,0,1]=4 12159 B15R1.9084 NC(=O)CC(=O)CCCC1CCCCC1 1458a_100134613110_100011713725 [0,1,0,1,0,0|1,0,1]=4 12160 B15R1.9084 O=C(O)CC(O)CNCC1CCCCC1 269956a_100011218706_100000211423 [0,1,0,1,0,0|2,0,0]=4 12161 B15R1.9084 O=C([O-])CC(=O)CCCC1CCCCC1 1458a_100000211478_100020667443 [0,1,0,1,0,0|1,0,1]=4 12162 B15R1.22526 CN(CC(=O)N)C1CCCCCCCC1 270004a_100000739694_100000038600 [0,1,0,1,0,0|2,0,0]=4 12163 B15R1.22532 O=C(O)CC(O)CNC1CCCCCC1 269956a_100011218706_100011217769 [0,1,0,1,0,0|2,0,0]=4 12164 B15R1.84 CC(=O)CCCCN1CCCCC1CO 269982a_100000210821_100000735457 [0,1,0,1,0,0|2,0,0]=4 12165 B15R1.84 CC(=O)CCCCN1CCCCC1CO 34a_100000210821_100009817362 [0,1,0,1,0,0|2,0,0]=4 12166 B15R1.84 CC(=O)CCCOC1CCCCC1CN 34a_100011216029_100000685027 [0,1,0,1,0,0|2,0,0]=4 12167 B15R1.84 CCC1CCCCC1NCCCC(=O)N 269862a_100000739312_100000757040 [0,1,0,1,0,0|1,0,0]=3 12168 B15R1.84 CCC1CCCCC1NCCCS(=O)C 270004a_200000753449_100000757040 [0,1,0,1,0,0|2,0,0]=4 12169 B15R1.84 CCC1CCCCC1NCCNC(=O)C 269862a_100000209853_100000757040 [0,1,0,1,0,0|2,0,0]=4 12170 B15R1.84 CCC1CCCCC1NCCNC(=O)N 269862a_100020590234_100000757040 [0,1,0,1,0,0|2,0,0]=4 12171 B15R1.84 CCC1CCCCC1NCCSC(=O)C 269862a_100020647217_100000757040 [0,1,0,1,0,0|2,0,0]=4 12172 B15R1.84 CCC1CCCCC1OCCCC(=O)C 34a_100000210738_100000685027 [0,1,0,1,0,0|1,0,0]=3 12173 B15R1.84 CCC1CCCCC1OCCCC(=O)C 7a_100000210738_100011215641 [0,1,0,1,0,0|1,0,0]=3 12174 B15R1.84 CCC1CCCCC1OCCCC(=O)N 34a_100000210738_100102525003 [0,1,0,1,0,0|1,0,0]=3 12175 B15R1.84 CCC1CCCCC1OCCCC(=O)N 7a_100000210738_100102525003 [0,1,0,1,0,0|1,0,0]=3 12176 B15R1.84 CCC1CCCCC1OCCNC(=O)C 7a_100000210738_100000189650 [0,1,0,1,0,0|2,0,0]=4 12177 B15R1.84 CCC1CCCCC1OCCNC(=O)N 7a_100000210738_200000034859 [0,1,0,1,0,0|2,0,0]=4 12178 B15R1.84 CCC1CCCCC1OCCOC(=O)C 34a_100000210738_100009814007 [0,1,0,1,0,0|2,0,0]=4 12179 B15R1.84 CCC1CCCCC1OCCOC(=O)C 7a_100000210738_100009814007 [0,1,0,1,0,0|2,0,0]=4 12180 B15R1.84 CCC1CCCCC1OCCOC(=O)N 34a_100000210738_200011214921 [0,1,0,1,0,0|2,0,0]=4 12181 B15R1.84 CCC1CCCCC1OCCOC(=O)N 7a_100000210738_200011214921 [0,1,0,1,0,0|2,0,0]=4 12182 B15R1.84 CCC1CCCCN1CCCCC(=O)C 269982a_100000210034_100000735457 [0,1,0,1,0,0|1,0,0]=3 12183 B15R1.84 CCC1CCCCN1CCCCC(=O)C 34a_100000210034_100009817362 [0,1,0,1,0,0|1,0,0]=3 12184 B15R1.84 CCC1CCCCN1CCCNC(=O)C 11a_100011191702_100015343762 [0,1,0,1,0,0|2,0,0]=4 12185 B15R1.84 CCC1CCCCN1CCCNC(=O)C 1626a_100011191702_100015343762 [0,1,0,1,0,0|2,0,0]=4 12186 B15R1.84 CCC1CCCCN1CCCNC(=O)C 240690a_100011191702_100015343762 [0,1,0,1,0,0|2,0,0]=4 12187 B15R1.84 CCC1CCCCN1CCCNC(=O)C 527a_100011191702_100103153847 [0,1,0,1,0,0|2,0,0]=4 12188 B15R1.84 CCC1CCCCN1CCCOC(=O)C 269982a_100000210034_100000042594 [0,1,0,1,0,0|2,0,0]=4 12189 B15R1.84 CCC1CCCCN1CCCOC(=O)C 34a_100000210034_100000042594 [0,1,0,1,0,0|2,0,0]=4 12190 B15R1.84 CCC1CCCCN1CCCSC(=O)C 2230a_100000210034_100000038929 [0,1,0,1,0,0|2,0,0]=4 12191 B15R1.84 CCC1CCCCN1CCCSC(=O)C 269982a_100000210034_100000038929 [0,1,0,1,0,0|2,0,0]=4 12192 B15R1.84 CCC1CCCCN1CCCSC(=O)C 34a_100000210034_100000038929 [0,1,0,1,0,0|2,0,0]=4 12193 B15R1.84 CCC1CCCCN1CCNCC(=O)N 2230a_100000755458_100000747473 [0,1,0,1,0,0|2,0,0]=4 12194 B15R1.84 CCC1CCCCN1CCNCC(=O)N 34a_100000755458_100000187820 [0,1,0,1,0,0|2,0,0]=4 12195 B15R1.84 CCC1CCCCN1CCNCC(=O)[O-] 34a_100000755458_100020667443 [0,1,0,1,0,0|2,0,0]=4 12196 B15R1.84 CCC1CCCCN1CCOCC(=O)N 2230a_100000210034_100000076697 [0,1,0,1,0,0|2,0,0]=4 12197 B15R1.84 CCC1CCCCN1CCOCC(=O)N 269982a_100000210034_100000076697 [0,1,0,1,0,0|2,0,0]=4 12198 B15R1.84 CCC1CCCCN1CCOCC(=O)N 34a_100000210034_100000076697 [0,1,0,1,0,0|2,0,0]=4 12199 B15R1.84 CCN1CCCCC1CNCCC(=O)N 2230a_100000754393_100000744528 [0,1,0,1,0,0|2,0,0]=4 12200 B15R1.84 CCN1CCCCC1CNCCC(=O)N 34a_100000754393_100000731001 [0,1,0,1,0,0|2,0,0]=4 12201 B15R1.84 CCN1CCCCC1COCCC(=O)C 7a_100000225091_100000053229 [0,1,0,1,0,0|2,0,0]=4 12202 B15R1.84 CCN1CCCCC1COCCC(=O)N 34a_100000225091_100000731001 [0,1,0,1,0,0|2,0,0]=4 12203 B15R1.84 CCN1CCCCC1COCCC(=O)N 7a_100000225091_100000744528 [0,1,0,1,0,0|2,0,0]=4 12204 B15R1.84 CC[C@H]1COCCN1CCCCC(=O)C 269982a_100016988097_100000735457 [0,1,0,1,0,0|2,0,0]=4 12205 B15R1.84 CC[C@H]1COCCN1CCCCC(=O)C 34a_100016988097_100009817362 [0,1,0,1,0,0|2,0,0]=4 12206 B15R1.84 CN[C@@H]1CCCC[C@H]1OCCCC(=O)C 34a_100000708425_100000685027 [0,1,0,1,0,0|2,0,0]=4 12207 B15R1.84 CN[C@@H]1CCCC[C@H]1OCCCC(=O)N 34a_100000708425_100102525003 [0,1,0,1,0,0|2,0,0]=4 12208 B15R1.84 COC1CCCCC1NCCCC(=O)C 34a_100011208099_100000685027 [0,1,0,1,0,0|2,0,0]=4 12209 B15R1.84 COC1CCCCC1NCCCC(=O)N 34a_100011208099_100102525003 [0,1,0,1,0,0|2,0,0]=4 12210 B15R1.84 CO[C@H]1CCCC[C@@H]1OCCCC(=O)C 34a_200009815850_100000685027 [0,1,0,1,0,0|2,0,0]=4 12211 B15R1.84 CO[C@H]1CCCC[C@@H]1OCCCC(=O)C 7a_200009815850_100011215641 [0,1,0,1,0,0|2,0,0]=4 12212 B15R1.84 CO[C@H]1CCCC[C@@H]1OCCCC(=O)N 34a_200009815850_100102525003 [0,1,0,1,0,0|2,0,0]=4 12213 B15R1.84 CO[C@H]1CCCC[C@@H]1OCCCC(=O)N 7a_200009815850_100102525003 [0,1,0,1,0,0|2,0,0]=4 12214 B15R1.84 NCC1CCCCC1OCCCC(=O)N 34a_100011216029_100102525003 [0,1,0,1,0,0|2,0,0]=4 12215 B15R1.95 CCC1CCCC1NCCCCC(=O)N 269862a_100000696515_100000749056 [0,1,0,1,0,0|1,0,0]=3 12216 B15R1.95 CCC1CCCC1NCCCCC(=O)N 270004a_100000696515_100000749056 [0,1,0,1,0,0|1,0,0]=3 12217 B15R1.95 CCC1CCCC1NCCCNC(=O)C 269862a_100000736810_100000749056 [0,1,0,1,0,0|2,0,0]=4 12218 B15R1.95 CCC1CCCC1NCCCNC(=O)C 270004a_100000736810_100000749056 [0,1,0,1,0,0|2,0,0]=4 12219 B15R1.95 CCC1CCCN1CCCCCC(=O)N 2230a_100000754278_100009817443 [0,1,0,1,0,0|1,0,0]=3 12220 B15R1.95 CCC1CCCN1CCCCCC(=O)N 269982a_100000754278_100009817443 [0,1,0,1,0,0|1,0,0]=3 12221 B15R1.95 CCC1CCCN1CCCCCC(=O)N 34a_100000754278_100009817443 [0,1,0,1,0,0|1,0,0]=3 12222 B15R1.95 CCC1CCCN1CCCCOC(=O)C 269982a_100000754278_100000033659 [0,1,0,1,0,0|2,0,0]=4 12223 B15R1.95 CCC1CCCN1CCCCOC(=O)C 34a_100000754278_100000033659 [0,1,0,1,0,0|2,0,0]=4 12224 B15R1.95 CCC1CCCN1CCCCSC(=O)C 2230a_100000754278_200010402107 [0,1,0,1,0,0|2,0,0]=4 12225 B15R1.95 CCC1CCCN1CCCCSC(=O)C 269982a_100000754278_200010402107 [0,1,0,1,0,0|2,0,0]=4 12226 B15R1.95 CCC1CCCN1CCCCSC(=O)C 34a_100000754278_200010402107 [0,1,0,1,0,0|2,0,0]=4 12227 B15R1.95 CCN1CCC[C@@H]1COCCCC(=O)C 34a_100011739246_100000685027 [0,1,0,1,0,0|2,0,0]=4 12228 B15R1.95 CCN1CCC[C@@H]1COCCCC(=O)C 7a_100011739246_100011215641 [0,1,0,1,0,0|2,0,0]=4 12229 B15R1.95 CCN1CCC[C@@H]1COCCCC(=O)N 34a_100011739246_100102525003 [0,1,0,1,0,0|2,0,0]=4 12230 B15R1.95 CCN1CCC[C@@H]1COCCCC(=O)N 7a_100011739246_100102525003 [0,1,0,1,0,0|2,0,0]=4 12231 B15R1.95 NC(=O)CCCCCN1CCC[C@@H]1CO 2230a_100000745186_100009817443 [0,1,0,1,0,0|2,0,0]=4 12232 B15R1.95 NC(=O)CCCCCN1CCC[C@@H]1CO 269982a_100000745186_100009817443 [0,1,0,1,0,0|2,0,0]=4 12233 B15R1.95 NC(=O)CCCCCN1CCC[C@@H]1CO 34a_100000745186_100009817443 [0,1,0,1,0,0|2,0,0]=4 12234 B15R1.106 CCCCCCCCN1CCNC(=O)C1 2230a_100000184651_100000210759 [0,1,0,1,0,0|2,0,0]=4 12235 B15R1.106 CCCCCCCCN1CCOC(=O)C1 2230a_100000131268_100000210759 [0,1,0,1,0,0|2,0,0]=4 12236 B15R1.106 CCCCCCCNC1CCNC(=O)C1 2230a_100016994916_100000210681 [0,1,0,1,0,0|2,0,0]=4 12237 B15R1.106 CCCCCCCNC1CCNC(=O)C1 34a_100016994916_100000210614 [0,1,0,1,0,0|2,0,0]=4 12238 B15R1.106 CCCCCCCOC1C=C(CCC1)C 34a_100011218613_100000210614 [0,1,0,1,0,0|2,0,0]=4 12239 B15R1.106 CCCCCCCOC1CCCC(=O)C1 34a_100012613340_100000210614 [0,1,0,1,0,0|1,0,0]=3 12240 B15R1.106 CCCCCCCO[C@@H]1CCNC(=O)C1 34a_100015189427_100000210614 [0,1,0,1,0,0|2,0,0]=4 12241 B15R1.106 CCCCCCOCC1CCCC(=O)N1 34a_200000102386_100000210314 [0,1,0,1,0,0|1,0,0]=3 12242 B15R1.106 CCCCCCOCC1CCNC(=O)C1 34a_100009886756_100000210314 [0,1,0,1,0,0|2,0,0]=4 12243 B15R1.106 CCCCCCOCC1COCC(=O)N1 34a_200000101122_100000210314 [0,1,0,1,0,0|2,0,0]=4 12244 B15R1.106 CCCCOCCOC1CCCC(=O)C1 34a_100012613340_100000743108 [0,1,0,1,0,0|2,0,0]=4 12245 B15R1.106 CCCCOCOCC1CCCC(=O)N1 34a_200000102386_100011995733 [0,1,0,1,0,0|2,0,0]=4 12246 B15R1.106 CCCOCCOCC1CCCC(=O)N1 34a_200000102386_100011215938 [0,1,0,1,0,0|2,0,0]=4 12247 B15R1.106 CCOCCCOCC1CCCC(=O)N1 34a_200000102386_100012232248 [0,1,0,1,0,0|2,0,0]=4 12248 B15R1.106 COCCCCOCC1CCCC(=O)N1 34a_200000102386_100000755781 [0,1,0,1,0,0|2,0,0]=4 12249 B15R1.106 O=C1CCCC(C1)OCCCCCCF 34a_100012613340_100015922095 [0,1,0,1,0,0|2,0,0]=4 12250 B15R1.106 O=C1CCCC(C1)OCCCCCCO 34a_100012613340_100000766143 [0,1,0,1,0,0|2,0,0]=4 12251 B15R1.106 O=C1CCCC(N1)COCCCCCF 34a_200000102386_100000729378 [0,1,0,1,0,0|2,0,0]=4 12252 B15R1.106 O=C1CCCC(N1)COCCCCCO 34a_200000102386_100000746330 [0,1,0,1,0,0|2,0,0]=4 12253 B15R1.241 CCCCCCN1CCCCC1C(=O)N 2230a_100000181395_100000210314 [0,1,0,1,0,0|1,0,0]=3 12254 B15R1.241 CCCCCCN1CCCCC1C(=O)N 269982a_100000181395_100000210757 [0,1,0,1,0,0|1,0,0]=3 12255 B15R1.241 CCCCCCN1CCCCC1C(=O)N 34a_100000181395_100000210314 [0,1,0,1,0,0|1,0,0]=3 12256 B15R1.241 CCCCCCN1CCCC[C@@H]1C(=O)O 269956a_100000763471_100000210757 [0,1,0,1,0,0|1,0,0]=3 12257 B15R1.241 CCCCCCN1CCOC[C@@H]1C(=O)O 269956a_100016993156_100000210757 [0,1,0,1,0,0|2,0,0]=4 12258 B15R1.241 CCCCCCN1CCSCC1C(=O)O 269956a_100011346106_100000210757 [0,1,0,1,0,0|2,0,0]=4 12259 B15R1.241 CCCCCCN1CSCCC1C(=O)O 269956a_100015185162_100000210757 [0,1,0,1,0,0|2,0,0]=4 12260 B15R1.241 CCCCCN[C@@H]1CCCC[C@H]1C(=O)O 269956a_100009816435_100000210326 [0,1,0,1,0,0|1,0,0]=3 12261 B15R1.241 CCCCOCN1CCCCC1C(=O)N 2230a_100000181395_100011995733 [0,1,0,1,0,0|2,0,0]=4 12262 B15R1.241 CCCCOCN1CCCCC1C(=O)N 269982a_100000181395_100011995733 [0,1,0,1,0,0|2,0,0]=4 12263 B15R1.241 CCCCOCN1CCCCC1C(=O)N 34a_100000181395_100011995733 [0,1,0,1,0,0|2,0,0]=4 12264 B15R1.241 CCCCOCN1CCCC[C@@H]1C(=O)O 269956a_100000763471_100011995733 [0,1,0,1,0,0|2,0,0]=4 12265 B15R1.241 CCCOCCN1CCCCC1C(=O)N 2230a_100000181395_100011215938 [0,1,0,1,0,0|2,0,0]=4 12266 B15R1.241 CCCOCCN1CCCCC1C(=O)N 269982a_100000181395_100011215938 [0,1,0,1,0,0|2,0,0]=4 12267 B15R1.241 CCCOCCN1CCCCC1C(=O)N 34a_100000181395_100011215938 [0,1,0,1,0,0|2,0,0]=4 12268 B15R1.241 CCCOCCN1CCCC[C@@H]1C(=O)O 269956a_100000763471_100011215938 [0,1,0,1,0,0|2,0,0]=4 12269 B15R1.241 CCOCCCN1CCCCC1C(=O)N 2230a_100000181395_100012232248 [0,1,0,1,0,0|2,0,0]=4 12270 B15R1.241 CCOCCCN1CCCCC1C(=O)N 269982a_100000181395_100012232248 [0,1,0,1,0,0|2,0,0]=4 12271 B15R1.241 CCOCCCN1CCCCC1C(=O)N 34a_100000181395_100012232248 [0,1,0,1,0,0|2,0,0]=4 12272 B15R1.241 CCOCCCN1CCCC[C@@H]1C(=O)O 269956a_100000763471_100012232248 [0,1,0,1,0,0|2,0,0]=4 12273 B15R1.241 CCOCCN[C@@H]1CCCC[C@H]1C(=O)O 269956a_100009816435_100000210147 [0,1,0,1,0,0|2,0,0]=4 12274 B15R1.241 CCSCCN[C@@H]1CCCC[C@H]1C(=O)O 269956a_100009816435_100000757381 [0,1,0,1,0,0|2,0,0]=4 12275 B15R1.241 COCCCCN1CCCCC1C(=O)N 2230a_100000181395_100000730899 [0,1,0,1,0,0|2,0,0]=4 12276 B15R1.241 COCCCCN1CCCCC1C(=O)N 269982a_100000181395_100000730899 [0,1,0,1,0,0|2,0,0]=4 12277 B15R1.241 COCCCCN1CCCCC1C(=O)N 34a_100000181395_100000755781 [0,1,0,1,0,0|2,0,0]=4 12278 B15R1.241 COCCCCN1CCCC[C@@H]1C(=O)O 269956a_100000763471_100000730899 [0,1,0,1,0,0|2,0,0]=4 12279 B15R1.241 COCCCN[C@@H]1CCCC[C@H]1C(=O)O 269956a_100009816435_100000740836 [0,1,0,1,0,0|2,0,0]=4 12280 B15R1.241 NC(=O)C1CCCCN1CCCCCF 2230a_100000181395_100000729378 [0,1,0,1,0,0|2,0,0]=4 12281 B15R1.241 NC(=O)C1CCCCN1CCCCCF 269982a_100000181395_100000729378 [0,1,0,1,0,0|2,0,0]=4 12282 B15R1.241 NC(=O)C1CCCCN1CCCCCF 34a_100000181395_100000729378 [0,1,0,1,0,0|2,0,0]=4 12283 B15R1.241 NC(=O)C1CCCCN1CCCCCO 2230a_100000181395_100000746330 [0,1,0,1,0,0|2,0,0]=4 12284 B15R1.241 NC(=O)C1CCCCN1CCCCCO 269982a_100000181395_100000746330 [0,1,0,1,0,0|2,0,0]=4 12285 B15R1.241 NC(=O)C1CCCCN1CCCCCO 34a_100000181395_100000746330 [0,1,0,1,0,0|2,0,0]=4 12286 B15R1.241 O=C(O)[C@@H]1CCCC[C@H]1NCCCCF 269956a_100009816435_100000729493 [0,1,0,1,0,0|2,0,0]=4 12287 B15R1.241 O=C(O)[C@@H]1CCCC[C@H]1NCCCCO 269956a_100009816435_100000210776 [0,1,0,1,0,0|2,0,0]=4 12288 B15R1.241 O=C(O)[C@H]1CCCCN1CCCCCF 269956a_100000763471_100000729378 [0,1,0,1,0,0|2,0,0]=4 12289 B15R1.241 O=C(O)[C@H]1CCCCN1CCCCCO 269956a_100000763471_100000746330 [0,1,0,1,0,0|2,0,0]=4 12290 B15R1.255 CC(=O)CCCCOCC1CCCN1C 34a_100000743107_100009817362 [0,1,0,1,0,0|2,0,0]=4 12291 B15R1.255 CC(=O)CCCOCCC1CCCN1C 34a_100000759063_100000005710 [0,1,0,1,0,0|2,0,0]=4 12292 B15R1.255 CC(=O)CCCOCCC1CCCN1C 34a_100011215177_100000685027 [0,1,0,1,0,0|2,0,0]=4 12293 B15R1.255 CC(=O)CCCOCCC1CCCN1C 7a_100000759063_100000005710 [0,1,0,1,0,0|2,0,0]=4 12294 B15R1.255 CC(=O)CCCOCCC1CCCN1C 7a_100011215177_100011215641 [0,1,0,1,0,0|2,0,0]=4 12295 B15R1.255 CC(=O)CCCSCCC1CCCN1C 62a_100000005710_100011215641 [0,1,0,1,0,0|2,0,0]=4 12296 B15R1.255 CC(=O)CCCSCCC1CCCN1C 62a_100011215641_100000005710 [0,1,0,1,0,0|2,0,0]=4 12297 B15R1.255 CC(=O)NCCCCNC1CCCC1C 269862a_200011368371_100000752053 [0,1,0,1,0,0|2,0,0]=4 12298 B15R1.255 CC(=O)OCCCCCN1CCC[C@@H]1C 2230a_100020605311_100009813381 [0,1,0,1,0,0|2,0,0]=4 12299 B15R1.255 CC(=O)OCCCCCN1CCC[C@@H]1C 269982a_100020605311_100000033007 [0,1,0,1,0,0|2,0,0]=4 12300 B15R1.255 CC(=O)OCCCCCN1CCC[C@H]1C 2230a_100015189458_100009813381 [0,1,0,1,0,0|2,0,0]=4 12301 B15R1.255 CC(=O)OCCCCCN1CCC[C@H]1C 269982a_100015189458_100000033007 [0,1,0,1,0,0|2,0,0]=4 12302 B15R1.255 CC(=O)OCCCCCN1CCC[C@H]1C 34a_100015189458_100000033007 [0,1,0,1,0,0|2,0,0]=4 12303 B15R1.255 CC(=O)OCCCCOC1CCCC1C 34a_100011216460_100000033659 [0,1,0,1,0,0|2,0,0]=4 12304 B15R1.255 CC(=O)OCCCCOC1CCCC1C 7a_100011216460_100000033659 [0,1,0,1,0,0|2,0,0]=4 12305 B15R1.255 CC(=O)SCCCCOC1CCCC1C 34a_100011216460_200010402107 [0,1,0,1,0,0|2,0,0]=4 12306 B15R1.255 CC(=O)SCCCCOC1CCCC1C 7a_100011216460_200010402107 [0,1,0,1,0,0|2,0,0]=4 12307 B15R1.255 CC1CCCC1OCCCCCC(=O)N 34a_100011216460_100009817443 [0,1,0,1,0,0|1,0,0]=3 12308 B15R1.255 CC1CCCC1OCCCCCC(=O)N 7a_100011216460_100009817443 [0,1,0,1,0,0|1,0,0]=3 12309 B15R1.255 CN1CCCC1CCNCCCC(=O)N 34a_100000739312_100000005710 [0,1,0,1,0,0|2,0,0]=4 12310 B15R1.255 CN1CCCC1CCOCCCC(=O)N 34a_100011215177_100102525003 [0,1,0,1,0,0|2,0,0]=4 12311 B15R1.255 CN1CCCC1CCOCCCC(=O)N 7a_100011215177_100102525003 [0,1,0,1,0,0|2,0,0]=4 12312 B15R1.255 CN1CCCC1CCSCCCC(=O)N 62a_100000005710_100102525003 [0,1,0,1,0,0|2,0,0]=4 12313 B15R1.255 CN1CCCC1CCSCCCC(=O)N 62a_100102525003_100000005710 [0,1,0,1,0,0|2,0,0]=4 12314 B15R1.255 C[C@@H]1CNC[C@@H]1OCCCCCC(=O)N 34a_200015306588_100009817443 [0,1,0,1,0,0|2,0,0]=4 12315 B15R1.255 NC(=O)CCCCCO[C@@H]1CCC[C@H]1Cl 34a_200016002552_100009817443 [0,1,0,1,0,0|2,0,0]=4 12316 B15R1.255 NC(=O)CCCCCO[C@H]1CCC[C@@H]1N 34a_100000748460_100009817443 [0,1,0,1,0,0|2,0,0]=4 12317 B15R1.255 NC(=O)CCCCCS[C@@H]1CCC[C@H]1O 62a_100009817443_200016002552 [0,1,0,1,0,0|2,0,0]=4 12318 B15R1.255 NC(=O)CCCCCS[C@@H]1CCC[C@H]1O 62a_200016002552_100009817443 [0,1,0,1,0,0|2,0,0]=4 12319 B15R1.270 COCC1CCN1CCCCCC(=O)N 2230a_100015195929_100009817443 [0,1,0,1,0,0|2,0,0]=4 12320 B15R1.270 COCC1CCN1CCCCCC(=O)N 269982a_100015195929_100009817443 [0,1,0,1,0,0|2,0,0]=4 12321 B15R1.270 COCC1CCN1CCCCCC(=O)N 34a_100015195929_100009817443 [0,1,0,1,0,0|2,0,0]=4 12322 B15R1.489 CC(=O)CCCCNCCC1CCCC1 34a_100000739158_100009817362 [0,1,0,1,0,0|1,0,0]=3 12323 B15R1.489 CC(=O)CCCCOCCC1CCCC1 34a_100000749090_100009817362 [0,1,0,1,0,0|1,0,0]=3 12324 B15R1.489 CC(=O)CCCCOCCC1CCCC1 7a_100000749090_100000735457 [0,1,0,1,0,0|1,0,0]=3 12325 B15R1.489 CC(=O)CCCCOCCC1CCNC1 34a_100016987287_100009817362 [0,1,0,1,0,0|2,0,0]=4 12326 B15R1.489 CC(=O)CCCCOCCC1CCOC1 34a_100011879284_100009817362 [0,1,0,1,0,0|2,0,0]=4 12327 B15R1.489 CC(=O)CCCCSCCC1CCCC1 62a_100000735457_100000760354 [0,1,0,1,0,0|1,0,0]=3 12328 B15R1.489 CC(=O)CCCCSCCC1CCCC1 62a_100000760354_100000735457 [0,1,0,1,0,0|1,0,0]=3 12329 B15R1.489 CC(=O)CCCCSCCN1CCCC1 62a_100000700749_100000735457 [0,1,0,1,0,0|2,0,0]=4 12330 B15R1.489 CC(=O)CCCCSCCN1CCCC1 62a_100000735457_100000004467 [0,1,0,1,0,0|2,0,0]=4 12331 B15R1.489 CC(=O)CCCNCCCC1CCCC1 34a_100000736752_100000685027 [0,1,0,1,0,0|1,0,0]=3 12332 B15R1.489 CC(=O)CCCNCCOC1CCCC1 34a_100000741755_100000685027 [0,1,0,1,0,0|2,0,0]=4 12333 B15R1.489 CC(=O)CCCOCCCC1CCCC1 34a_100000759063_100011713738 [0,1,0,1,0,0|1,0,0]=3 12334 B15R1.489 CC(=O)CCCOCCCC1CCCC1 34a_100011215328_100000685027 [0,1,0,1,0,0|1,0,0]=3 12335 B15R1.489 CC(=O)CCCOCCCC1CCCC1 7a_100000759063_100011713738 [0,1,0,1,0,0|1,0,0]=3 12336 B15R1.489 CC(=O)CCCOCCCC1CCCC1 7a_100011215328_100011215641 [0,1,0,1,0,0|1,0,0]=3 12337 B15R1.489 CC(=O)CCCOCCCN1CCCC1 34a_100000759063_100016991639 [0,1,0,1,0,0|2,0,0]=4 12338 B15R1.489 CC(=O)CCCOCCCN1CCCC1 7a_100000759063_100011445909 [0,1,0,1,0,0|2,0,0]=4 12339 B15R1.489 CC(=O)CCCOCCNC1CCCC1 34a_200000200444_100000685027 [0,1,0,1,0,0|2,0,0]=4 12340 B15R1.489 CC(=O)CCCOCCOC1CCCC1 34a_100000738311_100000685027 [0,1,0,1,0,0|2,0,0]=4 12341 B15R1.489 CC(=O)CCCOCCOC1CCCC1 7a_100000738311_100011215641 [0,1,0,1,0,0|2,0,0]=4 12342 B15R1.489 CC(=O)CCCSCCCC1CCCC1 62a_100011215641_100011713738 [0,1,0,1,0,0|1,0,0]=3 12343 B15R1.489 CC(=O)CCCSCCCC1CCCC1 62a_100011713738_100011215641 [0,1,0,1,0,0|1,0,0]=3 12344 B15R1.489 CC(=O)CCCSCCCN1CCCC1 62a_100011215641_100011445909 [0,1,0,1,0,0|2,0,0]=4 12345 B15R1.489 CC(=O)CCCSCCCN1CCCC1 62a_100016991639_100011215641 [0,1,0,1,0,0|2,0,0]=4 12346 B15R1.489 CC(=O)NCCCCCNC1CCCC1 2230a_200012022750_100000179811 [0,1,0,1,0,0|2,0,0]=4 12347 B15R1.489 CC(=O)NCCCCCNC1CCCC1 270004a_200012022750_100000210133 [0,1,0,1,0,0|2,0,0]=4 12348 B15R1.489 CC(=O)NCCCCCNC1CCCC1 34a_200012022750_100000179811 [0,1,0,1,0,0|2,0,0]=4 12349 B15R1.489 CC(=O)NCCCCNCC1CCCC1 2230a_200011368371_100000740388 [0,1,0,1,0,0|2,0,0]=4 12350 B15R1.489 CC(=O)NCCCCNCC1CCCC1 269862a_200011368371_100000746403 [0,1,0,1,0,0|2,0,0]=4 12351 B15R1.489 CC(=O)NCCCCNCC1CCCC1 34a_200011368371_100000740388 [0,1,0,1,0,0|2,0,0]=4 12352 B15R1.489 CC(=O)NCCCNCCC1CCCC1 34a_100000736810_100000760354 [0,1,0,1,0,0|2,0,0]=4 12353 B15R1.489 CC(=O)NCCCOCCC1CCCC1 34a_100000752032_100000760354 [0,1,0,1,0,0|2,0,0]=4 12354 B15R1.489 CC(=O)NCCNCCCC1CCCC1 2230a_100000209853_100011713738 [0,1,0,1,0,0|2,0,0]=4 12355 B15R1.489 CC(=O)NCCNCCCC1CCCC1 2230a_100000736752_100000189650 [0,1,0,1,0,0|2,0,0]=4 12356 B15R1.489 CC(=O)NCCOCCCC1CCCC1 34a_100000158858_100011713738 [0,1,0,1,0,0|2,0,0]=4 12357 B15R1.489 CC(=O)NCCOCCCC1CCCC1 7a_100011215328_100000189650 [0,1,0,1,0,0|2,0,0]=4 12358 B15R1.489 CC(=O)NCCSCCCC1CCCC1 62a_100000189650_100011713738 [0,1,0,1,0,0|2,0,0]=4 12359 B15R1.489 CC(=O)NCCSCCCC1CCCC1 62a_100011713738_100000189650 [0,1,0,1,0,0|2,0,0]=4 12360 B15R1.489 CC(=O)OCCCCCNC1CCCC1 2230a_100000211070_100009813381 [0,1,0,1,0,0|2,0,0]=4 12361 B15R1.489 CC(=O)OCCCCCNC1CCCC1 34a_100000211070_100000033007 [0,1,0,1,0,0|2,0,0]=4 12362 B15R1.489 CC(=O)OCCCCCOC1CCCC1 34a_100000210269_100000033007 [0,1,0,1,0,0|2,0,0]=4 12363 B15R1.489 CC(=O)OCCCCCOC1CCCC1 7a_100000210269_100000033007 [0,1,0,1,0,0|2,0,0]=4 12364 B15R1.489 CC(=O)OCCCCCSC1CCCC1 62a_100000033007_100000179811 [0,1,0,1,0,0|2,0,0]=4 12365 B15R1.489 CC(=O)OCCCCCSC1CCCC1 62a_100011217020_100000033007 [0,1,0,1,0,0|2,0,0]=4 12366 B15R1.489 CC(=O)OCCCCNCC1CCCC1 34a_100000737975_100000033659 [0,1,0,1,0,0|2,0,0]=4 12367 B15R1.489 CC(=O)OCCCCOCC1CCCC1 34a_100000073216_100000740388 [0,1,0,1,0,0|2,0,0]=4 12368 B15R1.489 CC(=O)OCCCCOCC1CCCC1 34a_100000742336_100000033659 [0,1,0,1,0,0|2,0,0]=4 12369 B15R1.489 CC(=O)OCCCCOCC1CCCC1 7a_100000073216_100000740388 [0,1,0,1,0,0|2,0,0]=4 12370 B15R1.489 CC(=O)OCCCCOCC1CCCC1 7a_100000742336_100000033659 [0,1,0,1,0,0|2,0,0]=4 12371 B15R1.489 CC(=O)OCCCCSCC1CCCC1 62a_100000033659_100000740388 [0,1,0,1,0,0|2,0,0]=4 12372 B15R1.489 CC(=O)OCCCCSCC1CCCC1 62a_100000740388_100000033659 [0,1,0,1,0,0|2,0,0]=4 12373 B15R1.489 CC(=O)OCCCNCCC1CCCC1 34a_100000739158_100000042594 [0,1,0,1,0,0|2,0,0]=4 12374 B15R1.489 CC(=O)OCCCOCCC1CCCC1 34a_100000749090_100000042594 [0,1,0,1,0,0|2,0,0]=4 12375 B15R1.489 CC(=O)OCCCOCCC1CCCC1 7a_100000749090_100000042594 [0,1,0,1,0,0|2,0,0]=4 12376 B15R1.489 CC(=O)OCCCSCCC1CCCC1 62a_100000042594_100000760354 [0,1,0,1,0,0|2,0,0]=4 12377 B15R1.489 CC(=O)OCCCSCCC1CCCC1 62a_100000760354_100000042594 [0,1,0,1,0,0|2,0,0]=4 12378 B15R1.489 CC(=O)OCCNCCCC1CCCC1 34a_100000736752_100009814007 [0,1,0,1,0,0|2,0,0]=4 12379 B15R1.489 CC(=O)OCCOCCCC1CCCC1 34a_100011215328_100009814007 [0,1,0,1,0,0|2,0,0]=4 12380 B15R1.489 CC(=O)OCCOCCCC1CCCC1 7a_100011215328_100009814007 [0,1,0,1,0,0|2,0,0]=4 12381 B15R1.489 CC(=O)OCCSCCCC1CCCC1 62a_100009814007_100011713738 [0,1,0,1,0,0|2,0,0]=4 12382 B15R1.489 CC(=O)OCCSCCCC1CCCC1 62a_100011713738_100009814007 [0,1,0,1,0,0|2,0,0]=4 12383 B15R1.489 CC(=O)SCCCCNCC1CCCC1 2230a_100000737975_200010402107 [0,1,0,1,0,0|2,0,0]=4 12384 B15R1.489 CC(=O)SCCCCNCC1CCCC1 34a_100000737975_200010402107 [0,1,0,1,0,0|2,0,0]=4 12385 B15R1.489 CC(=O)SCCCCOCC1CCCC1 34a_100000742336_200010402107 [0,1,0,1,0,0|2,0,0]=4 12386 B15R1.489 CC(=O)SCCCCOCC1CCCC1 7a_100000742336_200010402107 [0,1,0,1,0,0|2,0,0]=4 12387 B15R1.489 CC(=O)SCCCCSCC1CCCC1 62a_100000740388_200010402107 [0,1,0,1,0,0|2,0,0]=4 12388 B15R1.489 CC(=O)SCCCCSCC1CCCC1 62a_200010402107_100000740388 [0,1,0,1,0,0|2,0,0]=4 12389 B15R1.489 CC(=O)SCCCNCCC1CCCC1 2230a_100000739158_100000038929 [0,1,0,1,0,0|2,0,0]=4 12390 B15R1.489 CC(=O)SCCCNCCC1CCCC1 34a_100000739158_100000038929 [0,1,0,1,0,0|2,0,0]=4 12391 B15R1.489 CC(=O)SCCCOCCC1CCCC1 34a_100000749090_100000038929 [0,1,0,1,0,0|2,0,0]=4 12392 B15R1.489 CC(=O)SCCCOCCC1CCCC1 7a_100000749090_100000038929 [0,1,0,1,0,0|2,0,0]=4 12393 B15R1.489 CC(=O)SCCCSCCC1CCCC1 62a_100000038929_100000760354 [0,1,0,1,0,0|2,0,0]=4 12394 B15R1.489 CC(=O)SCCCSCCC1CCCC1 62a_100000760354_100000038929 [0,1,0,1,0,0|2,0,0]=4 12395 B15R1.489 CS(=O)CCCNCCCC1CCCC1 2230a_200000753449_100011713738 [0,1,0,1,0,0|2,0,0]=4 12396 B15R1.489 NC(=O)CCCCCNCC1CCCC1 2230a_100000737975_100009817443 [0,1,0,1,0,0|1,0,0]=3 12397 B15R1.489 NC(=O)CCCCCNCC1CCCC1 34a_100000737975_100009817443 [0,1,0,1,0,0|1,0,0]=3 12398 B15R1.489 NC(=O)CCCCCNCC1CCOC1 2230a_100000737293_100009817443 [0,1,0,1,0,0|2,0,0]=4 12399 B15R1.489 NC(=O)CCCCCNCC1CCOC1 34a_100000737293_100009817443 [0,1,0,1,0,0|2,0,0]=4 12400 B15R1.489 NC(=O)CCCCCNC[C@@H]1CCCO1 2230a_100020590478_100009817443 [0,1,0,1,0,0|2,0,0]=4 12401 B15R1.489 NC(=O)CCCCCNC[C@@H]1CCCO1 34a_100020590478_100009817443 [0,1,0,1,0,0|2,0,0]=4 12402 B15R1.489 NC(=O)CCCCCOCC1CCCC1 34a_100000123541_100000740388 [0,1,0,1,0,0|1,0,0]=3 12403 B15R1.489 NC(=O)CCCCCOCC1CCCC1 34a_100000742336_100009817443 [0,1,0,1,0,0|1,0,0]=3 12404 B15R1.489 NC(=O)CCCCCOCC1CCCC1 7a_100000123541_100000740388 [0,1,0,1,0,0|1,0,0]=3 12405 B15R1.489 NC(=O)CCCCCOCC1CCCC1 7a_100000742336_100009817443 [0,1,0,1,0,0|1,0,0]=3 12406 B15R1.489 NC(=O)CCCCCOCC1CCCO1 34a_100000210270_100009817443 [0,1,0,1,0,0|2,0,0]=4 12407 B15R1.489 NC(=O)CCCCCOCC1CCCO1 7a_100000123541_100000203698 [0,1,0,1,0,0|2,0,0]=4 12408 B15R1.489 NC(=O)CCCCCOCC1CCCO1 7a_100000210270_100009817443 [0,1,0,1,0,0|2,0,0]=4 12409 B15R1.489 NC(=O)CCCCCOCC1CCNC1 34a_100000748654_100009817443 [0,1,0,1,0,0|2,0,0]=4 12410 B15R1.489 NC(=O)CCCCCOCC1CCOC1 34a_100000123541_100011261433 [0,1,0,1,0,0|2,0,0]=4 12411 B15R1.489 NC(=O)CCCCCOCC1CCOC1 34a_100000740260_100009817443 [0,1,0,1,0,0|2,0,0]=4 12412 B15R1.489 NC(=O)CCCCCOCC1CCOC1 7a_100000123541_100000702531 [0,1,0,1,0,0|2,0,0]=4 12413 B15R1.489 NC(=O)CCCCCOC[C@H]1CCCN1 34a_100000745186_100009817443 [0,1,0,1,0,0|2,0,0]=4 12414 B15R1.489 NC(=O)CCCCCSCC1CCCC1 62a_100000740388_100009817443 [0,1,0,1,0,0|1,0,0]=3 12415 B15R1.489 NC(=O)CCCCCSCC1CCCC1 62a_100009817443_100000740388 [0,1,0,1,0,0|1,0,0]=3 12416 B15R1.489 NC(=O)CCCCCSCC1CCCO1 62a_100000203698_100009817443 [0,1,0,1,0,0|2,0,0]=4 12417 B15R1.489 NC(=O)CCCCCSCC1CCCO1 62a_100009817443_100000203698 [0,1,0,1,0,0|2,0,0]=4 12418 B15R1.489 NC(=O)CCCCCSCC1CCOC1 62a_100000702531_100009817443 [0,1,0,1,0,0|2,0,0]=4 12419 B15R1.489 NC(=O)CCCCCSCC1CCOC1 62a_100009817443_100000702531 [0,1,0,1,0,0|2,0,0]=4 12420 B15R1.489 NC(=O)CCCCNCCC1CCCC1 34a_100000696515_100000760354 [0,1,0,1,0,0|1,0,0]=3 12421 B15R1.489 NC(=O)CCCCOCCC1CCCC1 34a_100012022536_100000760354 [0,1,0,1,0,0|1,0,0]=3 12422 B15R1.489 NC(=O)CCCCOCCC1CCCC1 7a_100012022536_100000760354 [0,1,0,1,0,0|1,0,0]=3 12423 B15R1.489 NC(=O)CCCCOCCN1CCCC1 7a_100012022536_100000004467 [0,1,0,1,0,0|2,0,0]=4 12424 B15R1.489 NC(=O)CCCNCCCC1CCCC1 34a_100000736752_100102525003 [0,1,0,1,0,0|1,0,0]=3 12425 B15R1.489 NC(=O)CCCNCCCC1CCCC1 34a_100000739312_100011713738 [0,1,0,1,0,0|1,0,0]=3 12426 B15R1.489 NC(=O)CCCNCCCN1CCCC1 34a_100000739312_100016991639 [0,1,0,1,0,0|2,0,0]=4 12427 B15R1.489 NC(=O)CCCNCCOC1CCCC1 34a_100000741755_100102525003 [0,1,0,1,0,0|2,0,0]=4 12428 B15R1.489 NC(=O)CCCOCCCC1CCCC1 34a_100011215328_100102525003 [0,1,0,1,0,0|1,0,0]=3 12429 B15R1.489 NC(=O)CCCOCCCC1CCCC1 7a_100011215328_100102525003 [0,1,0,1,0,0|1,0,0]=3 12430 B15R1.489 NC(=O)CCCOCCNC1CCCC1 34a_200000200444_100102525003 [0,1,0,1,0,0|2,0,0]=4 12431 B15R1.489 NC(=O)CCCOCCOC1CCCC1 34a_100000738311_100102525003 [0,1,0,1,0,0|2,0,0]=4 12432 B15R1.489 NC(=O)CCCOCCOC1CCCC1 7a_100000738311_100102525003 [0,1,0,1,0,0|2,0,0]=4 12433 B15R1.489 NC(=O)CCCSCCCC1CCCC1 62a_100011713738_100102525003 [0,1,0,1,0,0|1,0,0]=3 12434 B15R1.489 NC(=O)CCCSCCCC1CCCC1 62a_100102525003_100011713738 [0,1,0,1,0,0|1,0,0]=3 12435 B15R1.489 NC(=O)CCCSCCCN1CCCC1 62a_100016991639_100102525003 [0,1,0,1,0,0|2,0,0]=4 12436 B15R1.489 NC(=O)CCCSCCCN1CCCC1 62a_100102525003_100011445909 [0,1,0,1,0,0|2,0,0]=4 12437 B15R1.489 NC(=O)CCNCCCOC1CCCC1 34a_100000747560_100000731001 [0,1,0,1,0,0|2,0,0]=4 12438 B15R1.489 NC(=O)COCCNCCC1CCCC1 2230a_100000739158_100000076697 [0,1,0,1,0,0|2,0,0]=4 12439 B15R1.489 NC(=O)COCCNCCC1CCCC1 34a_100000739158_100000076697 [0,1,0,1,0,0|2,0,0]=4 12440 B15R1.489 NC(=O)COCCOCCC1CCCC1 34a_100000749090_100000076697 [0,1,0,1,0,0|2,0,0]=4 12441 B15R1.489 NC(=O)COCCOCCC1CCCC1 7a_100000749090_100000076697 [0,1,0,1,0,0|2,0,0]=4 12442 B15R1.489 NC(=O)COCCSCCC1CCCC1 62a_100000076697_100000760354 [0,1,0,1,0,0|2,0,0]=4 12443 B15R1.489 NC(=O)COCCSCCC1CCCC1 62a_100000760354_100000076697 [0,1,0,1,0,0|2,0,0]=4 12444 B15R1.489 NC(=O)NCCNCCCC1CCCC1 2230a_100000736752_200000034859 [0,1,0,1,0,0|2,0,0]=4 12445 B15R1.489 NC(=O)NCCNCCCC1CCCC1 34a_100020590234_100011713738 [0,1,0,1,0,0|2,0,0]=4 12446 B15R1.489 NC(=O)NCCOCCCC1CCCC1 34a_100000181757_100011713738 [0,1,0,1,0,0|2,0,0]=4 12447 B15R1.489 NC(=O)NCCOCCCC1CCCC1 7a_100011215328_200000034859 [0,1,0,1,0,0|2,0,0]=4 12448 B15R1.489 NC(=O)NCCSCCCC1CCCC1 62a_100011713738_200000034859 [0,1,0,1,0,0|2,0,0]=4 12449 B15R1.489 NC(=O)NCCSCCCC1CCCC1 62a_200000034859_100011713738 [0,1,0,1,0,0|2,0,0]=4 12450 B15R1.489 NC(=O)OCCNCCCC1CCCC1 34a_100000736752_200011214921 [0,1,0,1,0,0|2,0,0]=4 12451 B15R1.489 NC(=O)OCCOCCCC1CCCC1 34a_100011215328_200011214921 [0,1,0,1,0,0|2,0,0]=4 12452 B15R1.489 NC(=O)OCCOCCCC1CCCC1 7a_100000766696_100011713738 [0,1,0,1,0,0|2,0,0]=4 12453 B15R1.489 NC(=O)OCCOCCCC1CCCC1 7a_100011215328_200011214921 [0,1,0,1,0,0|2,0,0]=4 12454 B15R1.489 NC(=O)OCCSCCCC1CCCC1 62a_100011713738_200011214921 [0,1,0,1,0,0|2,0,0]=4 12455 B15R1.489 NC(=O)OCCSCCCC1CCCC1 62a_200011214921_100011713738 [0,1,0,1,0,0|2,0,0]=4 12456 B15R1.489 O=C(O)COCCNCCC1CCCC1 269956a_100000700818_100000760354 [0,1,0,1,0,0|2,0,0]=4 12457 B15R1.489 O=C([O-])CCCCCOCC1CCCC1 7a_100102619762_100000740388 [0,1,0,1,0,0|1,0,0]=3 12458 B15R1.489 O=C([O-])CCCCCOCC1CCCO1 7a_100102619762_100000203698 [0,1,0,1,0,0|2,0,0]=4 12459 B15R1.489 O=C([O-])CCCCCOCC1CCOC1 7a_100102619762_100000702531 [0,1,0,1,0,0|2,0,0]=4 12460 B15R1.489 O=[N+]([O-])CCCCOCCC1CCCC1 34a_200015379883_100000760354 [0,1,0,1,0,0|2,0,0]=4 12461 B15R1.489 O=[N+]([O-])CCCCOCCC1CCCC1 7a_200015379883_100000760354 [0,1,0,1,0,0|2,0,0]=4 12462 B15R1.489 O=[N+]([O-])CCCOCCCC1CCCC1 34a_200000037920_100011713738 [0,1,0,1,0,0|2,0,0]=4 12463 B15R1.589 C=C(C)CCOC1CCCCC1CCC 34a_100011217265_100000730704 [0,1,0,1,0,0|2,0,0]=4 12464 B15R1.589 C=C(C)CCOC1CCCCC1CCC 7a_100011217265_100000730704 [0,1,0,1,0,0|2,0,0]=4 12465 B15R1.589 CC(=O)CCCN1CCCCC1CCO 269982a_100000211664_100011215641 [0,1,0,1,0,0|2,0,0]=4 12466 B15R1.589 CC(=O)CCCN1CCCCC1CCO 34a_100000211664_100000685027 [0,1,0,1,0,0|2,0,0]=4 12467 B15R1.589 CCCC1CCCCC1NCCC(=O)N 269862a_100000740010_100011218038 [0,1,0,1,0,0|1,0,0]=3 12468 B15R1.589 CCCC1CCCCC1OCCC(=O)C 7a_100011217265_100000053229 [0,1,0,1,0,0|1,0,0]=3 12469 B15R1.589 CCCC1CCCCC1OCCC(=O)N 34a_100011217265_100000731001 [0,1,0,1,0,0|1,0,0]=3 12470 B15R1.589 CCCC1CCCCC1OCCC(=O)N 7a_100011217265_100000744528 [0,1,0,1,0,0|1,0,0]=3 12471 B15R1.589 CCCC1CCCCC1OCOC(=O)C 34a_100011217265_100009813279 [0,1,0,1,0,0|2,0,0]=4 12472 B15R1.589 CCCC1CCCCN1CCCC(=O)C 269982a_100000701414_100011215641 [0,1,0,1,0,0|1,0,0]=3 12473 B15R1.589 CCCC1CCCCN1CCCC(=O)C 34a_100000701414_100000685027 [0,1,0,1,0,0|1,0,0]=3 12474 B15R1.589 CCCC1CCCCN1CCCC(=O)N 269982a_100000701414_100102525003 [0,1,0,1,0,0|1,0,0]=3 12475 B15R1.589 CCCC1CCCCN1CCCC(=O)N 34a_100000701414_100102525003 [0,1,0,1,0,0|1,0,0]=3 12476 B15R1.589 CCCC1CCCCN1CCNC(=O)C 2230a_100000701414_100000189650 [0,1,0,1,0,0|2,0,0]=4 12477 B15R1.589 CCCC1CCCCN1CCNC(=O)C 269982a_100000701414_100000189650 [0,1,0,1,0,0|2,0,0]=4 12478 B15R1.589 CCCC1CCCCN1CCNC(=O)N 2230a_100000701414_200000034859 [0,1,0,1,0,0|2,0,0]=4 12479 B15R1.589 CCCC1CCCCN1CCNC(=O)N 269982a_100000701414_200000034859 [0,1,0,1,0,0|2,0,0]=4 12480 B15R1.589 CCCC1CCCCN1CCOC(=O)C 269982a_100000701414_100009814007 [0,1,0,1,0,0|2,0,0]=4 12481 B15R1.589 CCCC1CCCCN1CCOC(=O)C 34a_100000701414_100009814007 [0,1,0,1,0,0|2,0,0]=4 12482 B15R1.589 CCCC1CCCCN1CCOC(=O)N 269982a_100000701414_200011214921 [0,1,0,1,0,0|2,0,0]=4 12483 B15R1.589 CCCC1CCCCN1CCOC(=O)N 34a_100000701414_200011214921 [0,1,0,1,0,0|2,0,0]=4 12484 B15R1.589 CCCC1COCCN1CCCC(=O)C 269982a_102495339903_100011215641 [0,1,0,1,0,0|2,0,0]=4 12485 B15R1.589 CCCC1COCCN1CCCC(=O)C 34a_102495339903_100000685027 [0,1,0,1,0,0|2,0,0]=4 12486 B15R1.589 CCCC1COCCN1CCCC(=O)N 269982a_102495339903_100102525003 [0,1,0,1,0,0|2,0,0]=4 12487 B15R1.589 CCCC1COCCN1CCCC(=O)N 34a_102495339903_100102525003 [0,1,0,1,0,0|2,0,0]=4 12488 B15R1.589 CCCN1CCCCC1CCNC(=O)C 2230a_200011221479_100000210303 [0,1,0,1,0,0|2,0,0]=4 12489 B15R1.589 CCCN1CCCCC1CCNC(=O)C 269982a_200011221479_100000210303 [0,1,0,1,0,0|2,0,0]=4 12490 B15R1.589 CCCN1CCCCC1CCNC(=O)C 34a_200011221479_100000210303 [0,1,0,1,0,0|2,0,0]=4 12491 B15R1.589 COCC1CCCCN1CCCC(=O)C 269982a_100015184032_100011215641 [0,1,0,1,0,0|2,0,0]=4 12492 B15R1.589 COCC1CCCCN1CCCC(=O)C 34a_100015184032_100000685027 [0,1,0,1,0,0|2,0,0]=4 12493 B15R1.589 COCC1CCCCN1CCCC(=O)N 269982a_100015184032_100102525003 [0,1,0,1,0,0|2,0,0]=4 12494 B15R1.589 COCC1CCCCN1CCCC(=O)N 34a_100015184032_100102525003 [0,1,0,1,0,0|2,0,0]=4 12495 B15R1.589 NC(=O)CCCN1CCCCC1CCO 269982a_100000211664_100102525003 [0,1,0,1,0,0|2,0,0]=4 12496 B15R1.589 NC(=O)CCCN1CCCCC1CCO 34a_100000211664_100102525003 [0,1,0,1,0,0|2,0,0]=4 12497 B15R1.604 CCCC1CCCC1NCCCC(=O)N 269862a_100000739312_100000723119 [0,1,0,1,0,0|1,0,0]=3 12498 B15R1.604 CCCC1CCCC1NCCCS(=O)C 270004a_200000753449_100000723119 [0,1,0,1,0,0|2,0,0]=4 12499 B15R1.604 CCCC1CCCC1NCCNC(=O)C 269862a_100000209853_100000723119 [0,1,0,1,0,0|2,0,0]=4 12500 B15R1.604 CCCC1CCCC1NCCNC(=O)N 269862a_100020590234_100000723119 [0,1,0,1,0,0|2,0,0]=4 12501 B15R1.604 CCCC1CCCC1NCCSC(=O)C 269862a_100020647217_100000723119 [0,1,0,1,0,0|2,0,0]=4 12502 B15R1.604 CCCN1CCCC1COCCC(=O)C 7a_200000694710_100000053229 [0,1,0,1,0,0|2,0,0]=4 12503 B15R1.604 CCCN1CCCC1COCCC(=O)N 34a_200000694710_100000731001 [0,1,0,1,0,0|2,0,0]=4 12504 B15R1.604 CCCN1CCCC1COCCC(=O)N 7a_200000694710_100000744528 [0,1,0,1,0,0|2,0,0]=4 12505 B15R1.604 COC[C@@H]1CCCN1CCCCC(=O)C 269982a_100020646714_100000735457 [0,1,0,1,0,0|2,0,0]=4 12506 B15R1.604 COC[C@@H]1CCCN1CCCCC(=O)C 34a_100020646714_100009817362 [0,1,0,1,0,0|2,0,0]=4 12507 B15R1.1051 CC(=O)CCN1CCCCC1CCCO 269982a_100011934581_100000053229 [0,1,0,1,0,0|2,0,0]=4 12508 B15R1.1051 CCCCN1CCCCC1CCC(=O)O 269956a_100000694054_100000210211 [0,1,0,1,0,0|1,0,0]=3 12509 B15R1.1051 CCOCN1CCCCC1CCC(=O)O 269956a_100000694054_100000739092 [0,1,0,1,0,0|2,0,0]=4 12510 B15R1.1051 COCCC1CCCCN1CCC(=O)C 269982a_100015186528_100000053229 [0,1,0,1,0,0|2,0,0]=4 12511 B15R1.1051 COCCC1CCCCN1CCC(=O)N 2230a_100015186528_100000744528 [0,1,0,1,0,0|2,0,0]=4 12512 B15R1.1051 COCCC1CCCCN1CCC(=O)N 269982a_100015186528_100000744528 [0,1,0,1,0,0|2,0,0]=4 12513 B15R1.1051 COCCC1CCCCN1CCC(=O)N 34a_100015186528_100000731001 [0,1,0,1,0,0|2,0,0]=4 12514 B15R1.1051 COCCN1CCCCC1CCC(=O)O 269956a_100000694054_100000233755 [0,1,0,1,0,0|2,0,0]=4 12515 B15R1.1051 CSCCN1CCCCC1CCC(=O)O 269956a_100000694054_100000212216 [0,1,0,1,0,0|2,0,0]=4 12516 B15R1.1051 NC(=O)CCN1CCCCC1CCCO 2230a_100011934581_100000744528 [0,1,0,1,0,0|2,0,0]=4 12517 B15R1.1051 NC(=O)CCN1CCCCC1CCCO 269982a_100011934581_100000744528 [0,1,0,1,0,0|2,0,0]=4 12518 B15R1.1051 NC(=O)CCN1CCCCC1CCCO 34a_100011934581_100000731001 [0,1,0,1,0,0|2,0,0]=4 12519 B15R1.1051 O=C(O)CCC1CCCCN1CCCF 269956a_100000694054_100011934791 [0,1,0,1,0,0|2,0,0]=4 12520 B15R1.1051 O=C(O)CCC1CCCCN1CCCO 269956a_100000694054_100011215043 [0,1,0,1,0,0|2,0,0]=4 12521 B15R1.1068 CCCCC1CCCC1NCCC(=O)N 269862a_100000740010_100000750825 [0,1,0,1,0,0|1,0,0]=3 12522 B15R1.1168 C=C1CC(C1)CNCCCCCCCC 2230a_100102567296_100000210759 [0,1,0,1,0,0|2,0,0]=4 12523 B15R1.1168 C=C1CC(C1)CNCCCCCCCC 34a_100102567296_100000210759 [0,1,0,1,0,0|2,0,0]=4 12524 B15R1.1168 C=C1CC(C1)COCCCCCCCC 34a_100011011225_100000210759 [0,1,0,1,0,0|2,0,0]=4 12525 B15R1.1168 C=C1CC(C1)NCCCCCCCCC 2230a_100132301982_100011214924 [0,1,0,1,0,0|2,0,0]=4 12526 B15R1.1168 CCCCCCCCCSC1CC(=O)C1 62a_100009894365_100000210670 [0,1,0,1,0,0|1,0,0]=3 12527 B15R1.1168 CCCCCCCCNCC1CC(=O)C1 2230a_100000229939_100009874392 [0,1,0,1,0,0|1,0,0]=3 12528 B15R1.1168 CCCCCCCCOCC1CC(=O)C1 34a_100000101936_100000210759 [0,1,0,1,0,0|1,0,0]=3 12529 B15R1.1168 CCCCCCCCOCC1CC(=O)C1 7a_100000210232_100009874392 [0,1,0,1,0,0|1,0,0]=3 12530 B15R1.1168 CCCCCCCCOCC1CC(C1)Cl 34a_100009874164_100000210759 [0,1,0,1,0,0|1,0,1]=4 12531 B15R1.1168 CCCCCCCCSCC1CC(=O)C1 62a_100000210759_100009874392 [0,1,0,1,0,0|1,0,0]=3 12532 B15R1.1168 CCCCCCCCSCC1CC(=O)C1 62a_100009874392_100000210317 [0,1,0,1,0,0|1,0,0]=3 12533 B15R1.1168 CCCCCOCCOCC1CC(=O)C1 7a_100011215259_100009874392 [0,1,0,1,0,0|2,0,0]=4 12534 B15R1.1168 CCCCOCCCNCC1CC(=O)C1 2230a_200000211371_100009874392 [0,1,0,1,0,0|2,0,0]=4 12535 B15R1.1168 CCCCOCCCOCC1CC(=O)C1 7a_200011215613_100009874392 [0,1,0,1,0,0|2,0,0]=4 12536 B15R1.1168 COCCCCCCOCC1CC(=O)C1 34a_100000101936_100011998445 [0,1,0,1,0,0|2,0,0]=4 12537 B15R1.1168 COCCCCCCOCC1CC(=O)C1 7a_200012092642_100009874392 [0,1,0,1,0,0|2,0,0]=4 12538 B15R1.1168 COCCCCCCSCC1CC(=O)C1 62a_100009874392_100011998445 [0,1,0,1,0,0|2,0,0]=4 12539 B15R1.1168 COCCCCCCSCC1CC(=O)C1 62a_100011998445_100009874392 [0,1,0,1,0,0|2,0,0]=4 12540 B15R1.1168 O=C1CC(C1)CNCCCCCCCO 2230a_100011996573_100009874392 [0,1,0,1,0,0|2,0,0]=4 12541 B15R1.1168 O=C1CC(C1)COCCCCCCCBr 7a_100000760002_100009874392 [0,1,0,1,0,0|2,0,0]=4 12542 B15R1.1168 O=C1CC(C1)COCCCCCCCO 34a_100000101936_100000760002 [0,1,0,1,0,0|2,0,0]=4 12543 B15R1.1168 O=C1CC(C1)CSCCCCCCCO 62a_100000760002_100009874392 [0,1,0,1,0,0|2,0,0]=4 12544 B15R1.1168 O=C1CC(C1)CSCCCCCCCO 62a_100009874392_100000760002 [0,1,0,1,0,0|2,0,0]=4 12545 B15R1.1168 O=C1CC(C1)SCCCCCCCCO 62a_100009894365_100000033203 [0,1,0,1,0,0|2,0,0]=4 12546 B15R1.1188 CCCCCN1CCCCC1CC(=O)N 2230a_100015184752_100000210326 [0,1,0,1,0,0|1,0,0]=3 12547 B15R1.1188 CCCCCN1CCCCC1CC(=O)N 269982a_100015184752_100000210215 [0,1,0,1,0,0|1,0,0]=3 12548 B15R1.1188 CCCCCN1CCCCC1CC(=O)N 34a_100015184752_100000718602 [0,1,0,1,0,0|1,0,0]=3 12549 B15R1.1188 CCOCCN1CCCCC1CC(=O)N 2230a_100015184752_100011215890 [0,1,0,1,0,0|2,0,0]=4 12550 B15R1.1188 CCOCCN1CCCCC1CC(=O)N 269982a_100015184752_100011215890 [0,1,0,1,0,0|2,0,0]=4 12551 B15R1.1188 CCOCCN1CCCCC1CC(=O)N 34a_100015184752_100000210147 [0,1,0,1,0,0|2,0,0]=4 12552 B15R1.1188 CCSCCN1CCCCC1CC(=O)N 2230a_100015184752_100000757381 [0,1,0,1,0,0|2,0,0]=4 12553 B15R1.1188 CCSCCN1CCCCC1CC(=O)N 269982a_100015184752_100000757381 [0,1,0,1,0,0|2,0,0]=4 12554 B15R1.1188 CCSCCN1CCCCC1CC(=O)N 34a_100015184752_100000757381 [0,1,0,1,0,0|2,0,0]=4 12555 B15R1.1188 COCCCC1CCCCN1CC(=O)N 2230a_100011804088_100000747473 [0,1,0,1,0,0|2,0,0]=4 12556 B15R1.1188 COCCCC1CCCCN1CC(=O)N 269982a_100011804088_100000187820 [0,1,0,1,0,0|2,0,0]=4 12557 B15R1.1188 COCCCC1CCCCN1CC(=O)N 34a_100011804088_100000187820 [0,1,0,1,0,0|2,0,0]=4 12558 B15R1.1188 COCCCC1CCCCN1CC(=O)[O-] 269982a_100011804088_100020667443 [0,1,0,1,0,0|2,0,0]=4 12559 B15R1.1188 COCCCC1CCCCN1CC(=O)[O-] 34a_100011804088_100020667443 [0,1,0,1,0,0|2,0,0]=4 12560 B15R1.1188 COCCCN1CCCCC1CC(=O)N 2230a_100015184752_100000740836 [0,1,0,1,0,0|2,0,0]=4 12561 B15R1.1188 COCCCN1CCCCC1CC(=O)N 269982a_100015184752_100000740836 [0,1,0,1,0,0|2,0,0]=4 12562 B15R1.1188 COCCCN1CCCCC1CC(=O)N 34a_100015184752_100000740836 [0,1,0,1,0,0|2,0,0]=4 12563 B15R1.1188 NC(=O)CC1CCCCN1CCCCF 2230a_100015184752_100000729493 [0,1,0,1,0,0|2,0,0]=4 12564 B15R1.1188 NC(=O)CC1CCCCN1CCCCF 269982a_100015184752_100000729493 [0,1,0,1,0,0|2,0,0]=4 12565 B15R1.1188 NC(=O)CC1CCCCN1CCCCF 34a_100015184752_100000729493 [0,1,0,1,0,0|2,0,0]=4 12566 B15R1.1188 NC(=O)CC1CCCCN1CCCCO 2230a_100015184752_100000210776 [0,1,0,1,0,0|2,0,0]=4 12567 B15R1.1188 NC(=O)CC1CCCCN1CCCCO 269982a_100015184752_100000210776 [0,1,0,1,0,0|2,0,0]=4 12568 B15R1.1188 NC(=O)CC1CCCCN1CCCCO 34a_100015184752_100011216708 [0,1,0,1,0,0|2,0,0]=4 12569 B15R1.1949 CCCCCCCN1CCCNC(=O)C1 2230a_100015190381_100000210681 [0,1,0,1,0,0|2,0,0]=4 12570 B15R1.3525 CCCCCCCN1CCC[C@H]1C(=O)N 2230a_100000003125_100000210681 [0,1,0,1,0,0|1,0,0]=3 12571 B15R1.3525 CCCCCCCN1CCC[C@H]1C(=O)O 269956a_100000743916_100000210614 [0,1,0,1,0,0|1,0,0]=3 12572 B15R1.3525 CCCCCCCN1CCSC1C(=O)O 269956a_100000035718_100000210614 [0,1,0,1,0,0|2,0,0]=4 12573 B15R1.3525 CCCCCCCN1CSC[C@H]1C(=O)O 269956a_100000743924_100000210614 [0,1,0,1,0,0|2,0,0]=4 12574 B15R1.3525 CCCCCOC[C@@H]1CCCN1C(=O)N 34a_100012022907_100000718602 [0,1,0,1,0,0|2,0,0]=4 12575 B15R1.3525 CCCCCOC[C@@H]1CCCN1C(=O)N 7a_100012022907_100000210326 [0,1,0,1,0,0|2,0,0]=4 12576 B15R1.3525 CCCCCOC[C@H]1CCCN1C(=O)C 34a_100012242843_100000718602 [0,1,0,1,0,0|2,0,0]=4 12577 B15R1.3525 CCCCCOC[C@H]1CCCN1C(=O)C 7a_100012242843_100000210326 [0,1,0,1,0,0|2,0,0]=4 12578 B15R1.3525 CCCCOCCN1CCC[C@H]1C(=O)N 2230a_100000003125_100000743108 [0,1,0,1,0,0|2,0,0]=4 12579 B15R1.3525 CCCCOCCN1CCC[C@H]1C(=O)O 269956a_100000743916_100000743108 [0,1,0,1,0,0|2,0,0]=4 12580 B15R1.3525 NC(=O)[C@@H]1CCCN1CCCCCCF 2230a_100000003125_100015922095 [0,1,0,1,0,0|2,0,0]=4 12581 B15R1.3525 NC(=O)[C@@H]1CCCN1CCCCCCO 2230a_100000003125_100000766143 [0,1,0,1,0,0|2,0,0]=4 12582 B15R1.3525 O=C(O)[C@@H]1CCCN1CCCCCCF 269956a_100000743916_100015922095 [0,1,0,1,0,0|2,0,0]=4 12583 B15R1.3525 O=C(O)[C@@H]1CCCN1CCCCCCO 269956a_100000743916_100000766143 [0,1,0,1,0,0|2,0,0]=4 12584 B15R1.3745 CCCCCN1CCCCCC1C(=O)O 269956a_100000758484_100000210326 [0,1,0,1,0,0|1,0,0]=3 12585 B15R1.3745 CCOCCN1CCCCCC1C(=O)O 269956a_100000758484_100000210147 [0,1,0,1,0,0|2,0,0]=4 12586 B15R1.3745 CCSCCN1CCCCCC1C(=O)O 269956a_100000758484_100000757381 [0,1,0,1,0,0|2,0,0]=4 12587 B15R1.3745 COCCCN1CCCCCC1C(=O)O 269956a_100000758484_100000740836 [0,1,0,1,0,0|2,0,0]=4 12588 B15R1.3745 O=C(O)C1CCCCCN1CCCCF 269956a_100000758484_100000729493 [0,1,0,1,0,0|2,0,0]=4 12589 B15R1.3745 O=C(O)C1CCCCCN1CCCCO 269956a_100000758484_100000210776 [0,1,0,1,0,0|2,0,0]=4 12590 B15R1.8920 C=C(C)CCOCC1CCCCCCC1 34a_100011216312_100000730704 [0,1,0,1,0,0|2,0,0]=4 12591 B15R1.8920 C=C(C)CCOCC1CCCCCCC1 7a_100011216312_100000730704 [0,1,0,1,0,0|2,0,0]=4 12592 B15R1.8920 C=C(C)CNCCC1CCCCCCC1 2230a_100011532352_100000748629 [0,1,0,1,0,0|2,0,0]=4 12593 B15R1.8920 C=C(C)CNCCC1CCCCCCC1 34a_100011532352_100000748629 [0,1,0,1,0,0|2,0,0]=4 12594 B15R1.8920 C=C(F)CNCCC1CCCCCCC1 2230a_100011532352_100009893438 [0,1,0,1,0,0|1,1,0]=4 12595 B15R1.8920 C=C(F)CNCCC1CCCCCCC1 34a_100011532352_100009893438 [0,1,0,1,0,0|1,1,0]=4 12596 B15R1.8920 CC(=O)CCCCN1CCCCCCC1 269982a_100000211400_100000735457 [0,1,0,1,0,0|1,0,0]=3 12597 B15R1.8920 CC(=O)CCCCN1CCCCCCC1 34a_100000211400_100009817362 [0,1,0,1,0,0|1,0,0]=3 12598 B15R1.8920 CC(=O)CCCNC1CCCCCCC1 34a_100000211152_100000685027 [0,1,0,1,0,0|1,0,0]=3 12599 B15R1.8920 CC(=O)CCCOC1CCCCCCC1 34a_100000210054_100000685027 [0,1,0,1,0,0|1,0,0]=3 12600 B15R1.8920 CC(=O)CCCOC1CCCCCCC1 7a_100000210054_100011215641 [0,1,0,1,0,0|1,0,0]=3 12601 B15R1.8920 CC(=O)CCOCC1CCCCCCC1 7a_100011216312_100000053229 [0,1,0,1,0,0|1,0,0]=3 12602 B15R1.8920 CC(=O)NCCNC1CCCCCCC1 2230a_100000211152_100000189650 [0,1,0,1,0,0|2,0,0]=4 12603 B15R1.8920 CC(=O)NCCOC1CCCCCCC1 7a_100000210054_100000189650 [0,1,0,1,0,0|2,0,0]=4 12604 B15R1.8920 CC(=O)OCCCN1CCCCCCC1 269982a_100000211400_100000042594 [0,1,0,1,0,0|2,0,0]=4 12605 B15R1.8920 CC(=O)OCCCN1CCCCCCC1 34a_100000211400_100000042594 [0,1,0,1,0,0|2,0,0]=4 12606 B15R1.8920 CC(=O)OCCNC1CCCCCCC1 34a_100000211152_100009814007 [0,1,0,1,0,0|2,0,0]=4 12607 B15R1.8920 CC(=O)OCCOC1CCCCCCC1 34a_100000210054_100009814007 [0,1,0,1,0,0|2,0,0]=4 12608 B15R1.8920 CC(=O)OCCOC1CCCCCCC1 7a_100000210054_100009814007 [0,1,0,1,0,0|2,0,0]=4 12609 B15R1.8920 CC(=O)OCOCC1CCCCCCC1 34a_100011216312_100009813279 [0,1,0,1,0,0|2,0,0]=4 12610 B15R1.8920 CC(=O)SCCCN1CCCCCCC1 2230a_100000211400_100000038929 [0,1,0,1,0,0|2,0,0]=4 12611 B15R1.8920 CC(=O)SCCCN1CCCCCCC1 269982a_100000211400_100000038929 [0,1,0,1,0,0|2,0,0]=4 12612 B15R1.8920 CC(=O)SCCCN1CCCCCCC1 34a_100000211400_100000038929 [0,1,0,1,0,0|2,0,0]=4 12613 B15R1.8920 CS(=O)CCCNC1CCCCCCC1 270004a_200000753449_100000210524 [0,1,0,1,0,0|2,0,0]=4 12614 B15R1.8920 NC(=O)CCCNC1CCCCCCC1 34a_100000211152_100102525003 [0,1,0,1,0,0|1,0,0]=3 12615 B15R1.8920 NC(=O)CCCOC1CCCCCCC1 34a_100000210054_100102525003 [0,1,0,1,0,0|1,0,0]=3 12616 B15R1.8920 NC(=O)CCCOC1CCCCCCC1 7a_100000210054_100102525003 [0,1,0,1,0,0|1,0,0]=3 12617 B15R1.8920 NC(=O)CCOCC1CCCCCCC1 34a_100011216312_100000731001 [0,1,0,1,0,0|1,0,0]=3 12618 B15R1.8920 NC(=O)CCOCC1CCCCCCC1 7a_100011216312_100000744528 [0,1,0,1,0,0|1,0,0]=3 12619 B15R1.8920 NC(=O)CNCCC1CCCCCCC1 2230a_100011532352_100000747473 [0,1,0,1,0,0|1,0,0]=3 12620 B15R1.8920 NC(=O)CNCCC1CCCCCCC1 34a_100011532352_100000187820 [0,1,0,1,0,0|1,0,0]=3 12621 B15R1.8920 NC(=O)COCCN1CCCCCCC1 2230a_100000211400_100000076697 [0,1,0,1,0,0|2,0,0]=4 12622 B15R1.8920 NC(=O)COCCN1CCCCCCC1 269982a_100000211400_100000076697 [0,1,0,1,0,0|2,0,0]=4 12623 B15R1.8920 NC(=O)COCCN1CCCCCCC1 34a_100000211400_100000076697 [0,1,0,1,0,0|2,0,0]=4 12624 B15R1.8920 NC(=O)NCCNC1CCCCCCC1 2230a_100000211152_200000034859 [0,1,0,1,0,0|2,0,0]=4 12625 B15R1.8920 NC(=O)NCCOC1CCCCCCC1 7a_100000210054_200000034859 [0,1,0,1,0,0|2,0,0]=4 12626 B15R1.8920 NC(=O)OCCNC1CCCCCCC1 34a_100000211152_200011214921 [0,1,0,1,0,0|2,0,0]=4 12627 B15R1.8920 NC(=O)OCCOC1CCCCCCC1 34a_100000210054_200011214921 [0,1,0,1,0,0|2,0,0]=4 12628 B15R1.8920 NC(=O)OCCOC1CCCCCCC1 7a_100000210054_200011214921 [0,1,0,1,0,0|2,0,0]=4 12629 B15R1.8920 O=C([O-])CNCCC1CCCCCCC1 34a_100011532352_100020667443 [0,1,0,1,0,0|1,0,0]=3 12630 B15R1.8920 O=[N+]([O-])CNCCC1CCCCCCC1 34a_100011532352_100000761209 [0,1,0,1,0,0|2,0,0]=4 12631 B15R1.9274 CCCCCCCCN1CCC1C(=O)O 269956a_100000021838_100000210759 [0,1,0,1,0,0|1,0,0]=3 12632 B15R1.9274 COCCCCCCN1CCC1C(=O)O 269956a_100000021838_100011998445 [0,1,0,1,0,0|2,0,0]=4 12633 B15R1.9274 O=C(O)C1CCN1CCCCCCCO 269956a_100000021838_100000760002 [0,1,0,1,0,0|2,0,0]=4 12634 B15R1.10901 CCCN[C@@H]1CCCCCC[C@@H]1C(=O)O 269956a_200049070474_100000210207 [0,1,0,1,0,0|1,0,0]=3 12635 B15R1.10901 COCN[C@@H]1CCCCCC[C@@H]1C(=O)O 269956a_200049070474_100000766300 [0,1,0,1,0,0|2,0,0]=4 12636 B15R1.10901 CSCN[C@@H]1CCCCCC[C@@H]1C(=O)O 269956a_200049070474_100011218213 [0,1,0,1,0,0|2,0,0]=4 12637 B15R1.10901 O=C(O)[C@H]1CCCCCC[C@H]1NCCF 269956a_200049070474_100011217306 [0,1,0,1,0,0|2,0,0]=4 12638 B15R1.10901 O=C(O)[C@H]1CCCCCC[C@H]1NCCO 269956a_200049070474_100000211926 [0,1,0,1,0,0|2,0,0]=4 12639 B15R1.633 CCCC(C)COCC1CCCC(=O)N1 34a_200000102386_100011216630 [0,1,0,1,0,0|2,0,0]=4 12640 B15R1.777 CCCC(C)CCOC[C@@H]1CCC(=O)N1 7a_100011217855_100015189358 [0,1,0,1,0,0|2,0,0]=4 12641 B15R1.784 CCCC(C)CCCOCC1CC(=O)C1 7a_100011713154_100009874392 [0,1,0,1,0,0|2,0,0]=4 12642 B15R1.810 CCCC(C)N1CCCCC1CC(=O)N 2230a_100015184752_100000766640 [0,1,0,1,0,0|2,0,0]=4 12643 B15R1.810 CCCC(C)N1CCCCC1CC(=O)N 269982a_100015184752_100000766640 [0,1,0,1,0,0|2,0,0]=4 12644 B15R1.810 CCCC(C)N1CCCCC1CC(=O)N 270004a_100015184752_100000211909 [0,1,0,1,0,0|2,0,0]=4 12645 B15R1.810 CCCC(C)N1CCCCC1CC(=O)N 34a_100015184752_100000766640 [0,1,0,1,0,0|2,0,0]=4 12646 B15R1.1274 CCCC(C)CN1CCCCC1C(=O)N 2230a_100000181395_100011216630 [0,1,0,1,0,0|2,0,0]=4 12647 B15R1.1274 CCCC(C)CN1CCCCC1C(=O)N 269982a_100000181395_100011216630 [0,1,0,1,0,0|2,0,0]=4 12648 B15R1.1274 CCCC(C)CN1CCCCC1C(=O)N 270004a_100000181395_100000243154 [0,1,0,1,0,0|2,0,0]=4 12649 B15R1.1274 CCCC(C)CN1CCCCC1C(=O)N 34a_100000181395_100011216630 [0,1,0,1,0,0|2,0,0]=4 12650 B15R1.1274 CCCC(C)CN1CCCC[C@@H]1C(=O)O 269956a_100000763471_100011216630 [0,1,0,1,0,0|2,0,0]=4 12651 B15R1.1274 CCCC(C)N[C@@H]1CCCC[C@H]1C(=O)O 269956a_100009816435_100000766640 [0,1,0,1,0,0|2,0,0]=4 12652 B15R1.5821 CC(=O)CCCOC1CCC(CC1C)C 34a_100011539931_100000685027 [0,1,0,1,0,0|2,0,0]=4 12653 B15R1.5821 CC(=O)CCCOC1CCC(CC1C)C 7a_100011539931_100011215641 [0,1,0,1,0,0|2,0,0]=4 12654 B15R1.5821 CC1CCC(C(C1)C)OCCCC(=O)N 34a_100011539931_100102525003 [0,1,0,1,0,0|2,0,0]=4 12655 B15R1.5821 CC1CCC(C(C1)C)OCCCC(=O)N 7a_100011539931_100102525003 [0,1,0,1,0,0|2,0,0]=4 12656 B15R1.10579 CCCC(C)N1CCCCCC1C(=O)O 269956a_100000758484_100000766640 [0,1,0,1,0,0|2,0,0]=4 12657 B15R1.12289 NC(=O)CCCCCNCC(O)C1CC1 2230a_100000751198_100009817443 [0,1,0,1,0,0|2,0,0]=4 12658 B15R1.12289 NC(=O)CCCCCNCC(O)C1CC1 34a_100000751198_100009817443 [0,1,0,1,0,0|2,0,0]=4 12659 B15R1.12289 NC(=O)CCCCCOC[C@H](N)C1CC1 34a_100020623730_100009817443 [0,1,0,1,0,0|2,0,0]=4 12660 B15R1.31279 CC1(CCC1)CNCCCCCC(=O)N 2230a_100000706607_100009817443 [0,1,0,1,0,0|2,0,0]=4 12661 B15R1.31279 CC1(CCC1)COCCCCCC(=O)N 34a_100000123541_100000726658 [0,1,0,1,0,0|2,0,0]=4 12662 B15R1.31279 CC1(CCC1)COCCCCCC(=O)N 7a_100000123541_100000726658 [0,1,0,1,0,0|2,0,0]=4 12663 B15R1.31279 CC1(CCC1)COCCCCCC(=O)[O-] 7a_100102619762_100000726658 [0,1,0,1,0,0|2,0,0]=4 12664 B15R1.31279 CC1(CCC1)CSCCCCCC(=O)N 62a_100000726658_100009817443 [0,1,0,1,0,0|2,0,0]=4 12665 B15R1.31279 CC1(CCC1)CSCCCCCC(=O)N 62a_100009817443_100000726658 [0,1,0,1,0,0|2,0,0]=4 12666 B15R1.31279 NC(=O)CCCCCNCC1(CCC1)O 2230a_100000752638_100009817443 [0,1,0,1,0,0|2,0,0]=4 12667 B15R1.31 CCCCCCC(=O)[C@H]1CCCC(=O)N1 1458a_100000705292_100000210757 [0,1,0,1,0,0|1,0,1]=4 12668 B15R1.82 CCCCCCC(=O)CC1CCC(=O)N1 1458a_100000026770_100000210757 [0,1,0,1,0,0|1,0,1]=4 12669 B15R1.82 CCCCCCC(=O)C[C@@H]1CCC(=O)N1 1458a_100102632555_100015189358 [0,1,0,1,0,0|1,0,1]=4 12670 B15R1.82 CCCCCCC(C)OC1CCC(=O)C1 34a_100012614533_100011215978 [0,1,0,1,0,0|2,0,0]=4 12671 B15R1.82 CCCCCCN(C)C[C@@H]1CCC(=O)N1 2230a_106256046315_100015189358 [0,1,0,1,0,0|2,0,0]=4 12672 B15R1.82 CCCCCCN(C)C[C@@H]1CCC(=O)N1 269982a_106256046315_100015189358 [0,1,0,1,0,0|2,0,0]=4 12673 B15R1.497 CC(=O)CCCCC(=O)C1CCCCC1 1458a_100000210647_100000735457 [0,1,0,1,0,0|1,0,1]=4 12674 B15R1.497 CC(=O)CCCCN(C)C1CCCCC1 269982a_100000207522_100000735457 [0,1,0,1,0,0|2,0,0]=4 12675 B15R1.497 CC(=O)CCCCN(C)C1CCCCC1 34a_100000207522_100009817362 [0,1,0,1,0,0|2,0,0]=4 12676 B15R1.497 CC(=O)CCCN[C@H](C)C1CCCCC1 34a_100025707633_100000685027 [0,1,0,1,0,0|2,0,0]=4 12677 B15R1.497 CC(=O)CCCOC(C)C1CCCCC1 34a_100011216961_100000685027 [0,1,0,1,0,0|2,0,0]=4 12678 B15R1.497 CC(=O)CCCOC(C)C1CCCCC1 7a_100011216961_100011215641 [0,1,0,1,0,0|2,0,0]=4 12679 B15R1.497 CC(NCCCC(=O)N)C1CCCCC1 269862a_100000739312_100000210989 [0,1,0,1,0,0|2,0,0]=4 12680 B15R1.497 CC(OCCCC(=O)N)C1CCCCC1 34a_100011216961_100102525003 [0,1,0,1,0,0|2,0,0]=4 12681 B15R1.497 CC(OCCCC(=O)N)C1CCCCC1 7a_100011216961_100102525003 [0,1,0,1,0,0|2,0,0]=4 12682 B15R1.497 C[C@@H](NCCCC(=O)N)C1CCCCC1 34a_100025707633_100102525003 [0,1,0,1,0,0|2,0,0]=4 12683 B15R1.497 NC(=O)CCOC[C@H](N)C1CCCCC1 34a_100009817630_100000731001 [0,1,0,1,0,0|2,0,0]=4 12684 B15R1.497 NC(=O)COCCC(N)C1CCCCC1 34a_200020622111_100000187820 [0,1,0,1,0,0|2,0,0]=4 12685 B15R1.497 NC(CCOCC(=O)[O-])C1CCCCC1 34a_200020622111_100020667443 [0,1,0,1,0,0|2,0,0]=4 12686 B15R1.507 CC(=O)CCCCC(=O)CC1CCCC1 1458a_100000210891_100000735457 [0,1,0,1,0,0|1,0,1]=4 12687 B15R1.3990 CCCCCN1C(CCCC1C(=O)O)C 269956a_100000704260_100000210326 [0,1,0,1,0,0|2,0,0]=4 12688 B15R1.4539 CCCCCCC(C)NCC1CC(=O)C1 2230a_100000210919_100009874392 [0,1,0,1,0,0|2,0,0]=4 12689 B15R1.4539 CCCCCCC(C)OCC1CC(=O)C1 34a_100000101936_100011215978 [0,1,0,1,0,0|2,0,0]=4 12690 B15R1.4539 CCCCCCC(C)OCC1CC(=O)C1 7a_100000210265_100009874392 [0,1,0,1,0,0|2,0,0]=4 12691 B15R1.4539 CCCCCCC(C)SCC1CC(=O)C1 62a_100009874392_100011215978 [0,1,0,1,0,0|2,0,0]=4 12692 B15R1.4539 CCCCCCC(C)SCC1CC(=O)C1 62a_100011215978_100009874392 [0,1,0,1,0,0|2,0,0]=4 12693 B15R1.5858 CC(=O)CCCCC(=O)C1CCCC1C 1458a_100000690547_100000735457 [0,1,0,1,0,0|1,0,1]=4 12694 B15R1.17020 CCCCCCC(C)N1CCC1C(=O)O 269956a_100000021838_100011215978 [0,1,0,1,0,0|2,0,0]=4 12695 B15R1.31162 CC(=O)CCCNC1(CCCCCC1)C 34a_100000704638_100000685027 [0,1,0,1,0,0|2,0,0]=4 12696 B15R1.31162 CC(=O)CCCOC1(CCCCCC1)C 34a_100000708895_100000685027 [0,1,0,1,0,0|2,0,0]=4 12697 B15R1.31162 CC(=O)CCCOC1(CCCCCC1)C 7a_100000708895_100011215641 [0,1,0,1,0,0|2,0,0]=4 12698 B15R1.31162 CC1(CCCCCC1)NCCCC(=O)N 34a_100000704638_100102525003 [0,1,0,1,0,0|2,0,0]=4 12699 B15R1.31162 CC1(CCCCCC1)OCCCC(=O)N 34a_100000708895_100102525003 [0,1,0,1,0,0|2,0,0]=4 12700 B15R1.31162 CC1(CCCCCC1)OCCCC(=O)N 7a_100000708895_100102525003 [0,1,0,1,0,0|2,0,0]=4 12701 B15R2.31 O=C1CCCC(C1)OC2CCCCC2 34a_100012613340_100000210327 [0,0,0,2,0,0|2,0,0]=4 12702 B15R2.1117 O=C1CCCC(C1)OCC2CCCC2 34a_100012613340_100000740388 [0,0,0,2,0,0|2,0,0]=4 12703 B15R2.1117 O=C1CCCC(N1)COC2CCCC2 34a_200000102386_100000179811 [0,0,0,2,0,0|2,0,0]=4 12704 B15R2.7133 O=C1CCCC(N1)COCCC2CC2 34a_200000102386_100000694398 [0,0,0,2,0,0|2,0,0]=4 12705 B15R2.7146 O=C1CCCC(N1)COCC2CCC2 34a_200000102386_100000763275 [0,0,0,2,0,0|2,0,0]=4 12706 B15R2.627 CN1C(CCC2C1CCCC2)C(=O)O 269956a_100000765686_200000210301 [0,0,0,2,0,0|2,0,0]=4 12707 B15R2.627 [13CH3]N1C(CCC2C1CCCC2)C(=O)O 269956a_100000765686_200025704644 [0,0,0,2,0,0|2,0,0]=4 12708 B15R2.1668 NC(=O)CN1CCC2CCCCC2C1 2230a_100000211783_100000747473 [0,0,0,2,0,0|2,0,0]=4 12709 B15R2.1668 NC(=O)CN1CCC2CCCCC2C1 269982a_100000211783_100000187820 [0,0,0,2,0,0|2,0,0]=4 12710 B15R2.1668 NC(=O)CN1CCC2CCCCC2C1 34a_100000211783_100000187820 [0,0,0,2,0,0|2,0,0]=4 12711 B15R2.1668 O=C([O-])CN1CCC2CCCCC2C1 269982a_100000211783_100020667443 [0,0,0,2,0,0|2,0,0]=4 12712 B15R2.1668 O=C([O-])CN1CCC2CCCCC2C1 34a_100000211783_100020667443 [0,0,0,2,0,0|2,0,0]=4 12713 B15R2.1921 CCC1CCCCN1CC2CC(=O)C2 2230a_100000210034_100009874392 [0,0,0,2,0,0|2,0,0]=4 12714 B15R2.1921 CCC1CCCCN1CC2CC(=O)C2 269982a_100000210034_100009874392 [0,0,0,2,0,0|2,0,0]=4 12715 B15R2.16256 CC(=O)CCCN1CC2CCC1CC2 269982a_100000750499_100011215641 [0,0,0,2,0,0|2,0,0]=4 12716 B15R2.16256 CC(=O)CCCN1CC2CCC1CC2 34a_100000750499_100000685027 [0,0,0,2,0,0|2,0,0]=4 12717 B15R2.16256 NC(=O)CCCN1CC2CCC1CC2 269982a_100000750499_100102525003 [0,0,0,2,0,0|2,0,0]=4 12718 B15R2.16256 NC(=O)CCCN1CC2CCC1CC2 34a_100000750499_100102525003 [0,0,0,2,0,0|2,0,0]=4 12719 B15R2.119 CCC1CCCN1C[C@@H]2CCC(=O)N2 2230a_100000754278_100015189358 [0,0,0,2,0,0|2,0,0]=4 12720 B15R2.119 CCC1CCCN1C[C@@H]2CCC(=O)N2 269982a_100000754278_100015189358 [0,0,0,2,0,0|2,0,0]=4 12721 B15R2.7688 NC(=O)COC1CCC2CCCC2C1 34a_100000073670_100000187820 [0,0,0,2,0,0|2,0,0]=4 12722 B15R2.7688 NC(=O)COC1CCC2CCCC2C1 7a_100000073670_100000187820 [0,0,0,2,0,0|2,0,0]=4 12723 B15R2.7688 O=C([O-])COC1CCC2CCCC2C1 34a_100000073670_100020667443 [0,0,0,2,0,0|2,0,0]=4 12724 B15R2.16181 CC(=O)CCCCN1C2CCC1CC2 269982a_100000735658_100000735457 [0,0,0,2,0,0|2,0,0]=4 12725 B15R2.16181 CC(=O)CCCCN1C2CCC1CC2 34a_100000735658_100009817362 [0,0,0,2,0,0|2,0,0]=4 12726 B15R2.16181 CC(=O)CCCOC1C2CCC1CC2 34a_100000759063_100009813300 [0,0,0,2,0,0|2,0,0]=4 12727 B15R2.16181 CC(=O)CCCSC1C2CCC1CC2 62a_100009813300_100011215641 [0,0,0,2,0,0|2,0,0]=4 12728 B15R2.16181 CC(=O)CCCSC1C2CCC1CC2 62a_100011215641_100009813300 [0,0,0,2,0,0|2,0,0]=4 12729 B15R2.16181 NC(=O)CCCNC1C2CCC1CC2 34a_100000739312_100009813300 [0,0,0,2,0,0|2,0,0]=4 12730 B15R2.16181 NC(=O)CCCSC1C2CCC1CC2 62a_100009813300_100102525003 [0,0,0,2,0,0|2,0,0]=4 12731 B15R2.16181 NC(=O)CCCSC1C2CCC1CC2 62a_100102525003_100009813300 [0,0,0,2,0,0|2,0,0]=4 12732 B15R2.16214 CC(=O)CCCCN1CCCC12CC2 269982a_100020620911_100000735457 [0,0,0,2,0,0|2,0,0]=4 12733 B15R2.16214 CC(=O)CCCCN1CCCC12CC2 34a_100020620911_100009817362 [0,0,0,2,0,0|2,0,0]=4 12734 B15R2.16214 NC(=O)CCCNC1CCCC12CC2 269862a_100000739312_100009881796 [0,0,0,2,0,0|2,0,0]=4 12735 B15R2.19801 CC(=O)CCCCN1CC2CCC1C2 269982a_100000743476_100000735457 [0,0,0,2,0,0|2,0,0]=4 12736 B15R2.19801 CC(=O)CCCCN1CC2CCC1C2 34a_100000743476_100009817362 [0,0,0,2,0,0|2,0,0]=4 12737 B15R2.19801 CC(=O)CCCNC1CC2CCC1C2 34a_100000758229_100000685027 [0,0,0,2,0,0|2,0,0]=4 12738 B15R2.19801 CC(=O)CCCOC1CC2CCC1C2 34a_100000211339_100000685027 [0,0,0,2,0,0|2,0,0]=4 12739 B15R2.19801 CC(=O)CCCOC1CC2CCC1C2 34a_100000759063_100000727232 [0,0,0,2,0,0|2,0,0]=4 12740 B15R2.19801 CC(=O)CCCSC1CC2CCC1C2 62a_100000727232_100011215641 [0,0,0,2,0,0|2,0,0]=4 12741 B15R2.19801 CC(=O)CCCSC1CC2CCC1C2 62a_100011215641_100000727232 [0,0,0,2,0,0|2,0,0]=4 12742 B15R2.19801 NC(=O)CCCNC1CC2CCC1C2 269862a_100000739312_100000223372 [0,0,0,2,0,0|2,0,0]=4 12743 B15R2.19801 NC(=O)CCCNC1CC2CCC1C2 34a_100000739312_100000727232 [0,0,0,2,0,0|2,0,0]=4 12744 B15R2.19801 NC(=O)CCCNC1CC2CCC1C2 34a_100000758229_100102525003 [0,0,0,2,0,0|2,0,0]=4 12745 B15R2.19801 NC(=O)CCCOC1CC2CCC1C2 34a_100000211339_100102525003 [0,0,0,2,0,0|2,0,0]=4 12746 B15R2.19801 NC(=O)CCCSC1CC2CCC1C2 62a_100000727232_100102525003 [0,0,0,2,0,0|2,0,0]=4 12747 B15R2.19801 NC(=O)CCCSC1CC2CCC1C2 62a_100102525003_100000727232 [0,0,0,2,0,0|2,0,0]=4 12748 B15R2.19801 NC(=O)CCNCC1CC2CCC1C2 269862a_100000740010_100000697602 [0,0,0,2,0,0|2,0,0]=4 12749 B15R2.19801 NC(=O)CCOCC1CC2CCC1C2 34a_100000229996_100000731001 [0,0,0,2,0,0|2,0,0]=4 12750 B15R2.283 O=C1CCC(C1)OCC2CCCCC2 34a_100012614533_100000211423 [0,0,0,2,0,0|2,0,0]=4 12751 B15R2.283 O=C1CCC(N1)COC2CCCCC2 34a_100000737831_100000210327 [0,0,0,2,0,0|2,0,0]=4 12752 B15R2.283 O=C1CC[C@@H](N1)CNC2CCCCC2 270004a_100015423886_100000210434 [0,0,0,2,0,0|2,0,0]=4 12753 B15R2.283 O=C1CC[C@@H](N1)CNC2CCCCC2 34a_100015423886_100000210327 [0,0,0,2,0,0|2,0,0]=4 12754 B15R2.283 O=C1CC[C@H](N1)CNC2CCCCC2 2230a_100000182618_100015189358 [0,0,0,2,0,0|2,0,0]=4 12755 B15R2.283 O=C1CC[C@H](N1)COC2CCCCC2 7a_100000210231_100015189358 [0,0,0,2,0,0|2,0,0]=4 12756 B15R2.283 O=C1CC[C@H](N1)CSC2CCCCC2 62a_100000210327_100015189358 [0,0,0,2,0,0|2,0,0]=4 12757 B15R2.283 O=C1CC[C@H](N1)CSC2CCCCC2 62a_100015189358_100000210327 [0,0,0,2,0,0|2,0,0]=4 12758 B15R2.286 O=C1CCC(C1)OCCC2CCCC2 34a_100012614533_100000760354 [0,0,0,2,0,0|2,0,0]=4 12759 B15R2.286 O=C1CCC(N1)COCC2CCCC2 34a_100000737831_100000740388 [0,0,0,2,0,0|2,0,0]=4 12760 B15R2.286 O=C1CC[C@@H](N1)CNCC2CCCC2 2230a_100015423886_100000740388 [0,0,0,2,0,0|2,0,0]=4 12761 B15R2.286 O=C1CC[C@@H](N1)CNCC2CCCC2 269862a_100015423886_100000746403 [0,0,0,2,0,0|2,0,0]=4 12762 B15R2.286 O=C1CC[C@@H](N1)CNCC2CCCC2 34a_100015423886_100000740388 [0,0,0,2,0,0|2,0,0]=4 12763 B15R2.286 O=C1CC[C@H](N1)CNCC2CCCC2 2230a_100000737975_100015189358 [0,0,0,2,0,0|2,0,0]=4 12764 B15R2.286 O=C1CC[C@H](N1)COCC2CCCC2 7a_100000742336_100015189358 [0,0,0,2,0,0|2,0,0]=4 12765 B15R2.286 O=C1CC[C@H](N1)CSCC2CCCC2 62a_100000740388_100015189358 [0,0,0,2,0,0|2,0,0]=4 12766 B15R2.286 O=C1CC[C@H](N1)CSCC2CCCC2 62a_100015189358_100000740388 [0,0,0,2,0,0|2,0,0]=4 12767 B15R2.287 CC1CCCC1NC[C@H]2CCC(=O)N2 269862a_100015423886_100000752053 [0,0,0,2,0,0|2,0,0]=4 12768 B15R2.287 CC1CCCC1OC[C@@H]2CCC(=O)N2 7a_100011216460_100015189358 [0,0,0,2,0,0|2,0,0]=4 12769 B15R2.305 CC1CCCCN1C[C@@H]2CCC(=O)N2 2230a_100000211376_100015189358 [0,0,0,2,0,0|2,0,0]=4 12770 B15R2.305 CC1CCCCN1C[C@@H]2CCC(=O)N2 269982a_100000211376_100015189358 [0,0,0,2,0,0|2,0,0]=4 12771 B15R2.6962 O=C1CCC(C1)OC2CCCCCC2 34a_100012614533_100011217769 [0,0,0,2,0,0|2,0,0]=4 12772 B15R2.6962 O=C1CC[C@H](N1)CN2CCCCCC2 2230a_100000185865_100015189358 [0,0,0,2,0,0|2,0,0]=4 12773 B15R2.6962 O=C1CC[C@H](N1)CN2CCCCCC2 269982a_100000185865_100015189358 [0,0,0,2,0,0|2,0,0]=4 12774 B15R2.1660 CC(=O)CCN1C[C@H]2CCCC[C@H]2C1 269982a_100015204113_100000053229 [0,0,0,2,0,0|2,0,0]=4 12775 B15R2.1660 NC(=O)CCN1C[C@H]2CCCC[C@H]2C1 2230a_100015204113_100000744528 [0,0,0,2,0,0|2,0,0]=4 12776 B15R2.1660 NC(=O)CCN1C[C@H]2CCCC[C@H]2C1 269982a_100015204113_100000744528 [0,0,0,2,0,0|2,0,0]=4 12777 B15R2.1660 NC(=O)CCN1C[C@H]2CCCC[C@H]2C1 34a_100015204113_100000731001 [0,0,0,2,0,0|2,0,0]=4 12778 B15R2.8833 CC1CCCCC1NCC2CC(=O)C2 2230a_100000211402_100009874392 [0,0,0,2,0,0|2,0,0]=4 12779 B15R2.8833 CC1CCCCC1OCC2CC(=O)C2 7a_100000211207_100009874392 [0,0,0,2,0,0|2,0,0]=4 12780 B15R2.68399 NC(=O)CCCNC1CCCC2C1C2 269862a_100000739312_100000697651 [0,0,0,2,0,0|2,0,0]=4 12781 B15R2.1238 CC(=O)CCCN1C[C@H]2CCC[C@H]2C1 269982a_100102946302_100011215641 [0,0,0,2,0,0|2,0,0]=4 12782 B15R2.1238 CC(=O)CCCN1C[C@H]2CCC[C@H]2C1 34a_100102946302_100000685027 [0,0,0,2,0,0|2,0,0]=4 12783 B15R2.1238 NC(=O)CCCN1C[C@H]2CCC[C@H]2C1 269982a_100102946302_100102525003 [0,0,0,2,0,0|2,0,0]=4 12784 B15R2.1238 NC(=O)CCCN1C[C@H]2CCC[C@H]2C1 34a_100102946302_100102525003 [0,0,0,2,0,0|2,0,0]=4 12785 B15R2.68602 CC(=O)CCCCOC1CCC2C1C2 34a_200012295571_100009817362 [0,0,0,2,0,0|2,0,0]=4 12786 B15R2.68602 NC(=O)CCCCNC1CCC2C1C2 269862a_100000696515_100000692480 [0,0,0,2,0,0|2,0,0]=4 12787 B15R2.68602 NC(=O)CCCCNC1CCC2C1C2 270004a_100000696515_100000692480 [0,0,0,2,0,0|2,0,0]=4 12788 B15R2.63 CC(=O)N1CCCC1C2CCCCC2 11a_100011206067_100015343762 [0,0,0,2,0,0|2,0,0]=4 12789 B15R2.63 CC(=O)N1CCCC1C2CCCCC2 1626a_100011206067_100015343762 [0,0,0,2,0,0|2,0,0]=4 12790 B15R2.63 CC(=O)N1CCCC1C2CCCCC2 240690a_100011206067_100015343762 [0,0,0,2,0,0|2,0,0]=4 12791 B15R2.63 CC(=O)N1CCCC1C2CCCCC2 527a_100011206067_100103153847 [0,0,0,2,0,0|2,0,0]=4 12792 B15R2.63 NC(=O)[C@@H]1CCCN1C2CCCCC2 270004a_100000003125_100000210434 [0,0,0,2,0,0|2,0,0]=4 12793 B15R2.63 O=C(O)[C@@H]1CCCN1C2CCCCC2 269956a_100000743916_100000210327 [0,0,0,2,0,0|2,0,0]=4 12794 B15R2.1243 NC(=O)[C@@H]1CCCN1CC2CCCC2 2230a_100000003125_100000740388 [0,0,0,2,0,0|2,0,0]=4 12795 B15R2.1243 O=C(O)[C@@H]1CCCN1CC2CCCC2 269956a_100000743916_100000740388 [0,0,0,2,0,0|2,0,0]=4 12796 B15R2.16228 NC(=O)CCCCCN1CC2CC2C1 2230a_100000741873_100009817443 [0,0,0,2,0,0|2,0,0]=4 12797 B15R2.16228 NC(=O)CCCCCN1CC2CC2C1 269982a_100000741873_100009817443 [0,0,0,2,0,0|2,0,0]=4 12798 B15R2.16228 NC(=O)CCCCCN1CC2CC2C1 34a_100000741873_100009817443 [0,0,0,2,0,0|2,0,0]=4 12799 B15R2.16228 NC(=O)CCCCNC1CC2CC2C1 270004a_100000696515_100010340937 [0,0,0,2,0,0|2,0,0]=4 12800 B15R2.617 O=C1CC(C1)CNCC2CCCCC2 2230a_100000210473_100009874392 [0,0,0,2,0,0|2,0,0]=4 12801 B15R2.617 O=C1CC(C1)COCC2CCCCC2 34a_100000101936_100000211423 [0,0,0,2,0,0|2,0,0]=4 12802 B15R2.617 O=C1CC(C1)COCC2CCCCC2 7a_100000212181_100009874392 [0,0,0,2,0,0|2,0,0]=4 12803 B15R2.617 O=C1CC(C1)CSCC2CCCCC2 62a_100000211423_100009874392 [0,0,0,2,0,0|2,0,0]=4 12804 B15R2.617 O=C1CC(C1)CSCC2CCCCC2 62a_100009874392_100000211423 [0,0,0,2,0,0|2,0,0]=4 12805 B15R2.617 O=C1CC(C1)SCCC2CCCCC2 62a_100009894365_100012355289 [0,0,0,2,0,0|2,0,0]=4 12806 B15R2.1241 O=C(O)C1CCN1CC2CCCCC2 269956a_100000021838_100000211423 [0,0,0,2,0,0|2,0,0]=4 12807 B15R2.1661 NC(=O)CNCC1CC12CCCCC2 2230a_100015185624_100000747473 [0,0,0,2,0,0|2,0,0]=4 12808 B15R2.1661 NC(=O)CNCC1CC12CCCCC2 34a_100015185624_100000187820 [0,0,0,2,0,0|2,0,0]=4 12809 B15R2.1661 O=C([O-])CNCC1CC12CCCCC2 34a_100015185624_100020667443 [0,0,0,2,0,0|2,0,0]=4 12810 B15R2.68122 NC(=O)CN1CCCC2C1CCCC2 2230a_100000211887_100000747473 [0,0,0,2,0,0|2,0,0]=4 12811 B15R2.68122 NC(=O)CN1CCCC2C1CCCC2 269982a_100000211887_100000187820 [0,0,0,2,0,0|2,0,0]=4 12812 B15R2.68122 NC(=O)CN1CCCC2C1CCCC2 34a_100000211887_100000187820 [0,0,0,2,0,0|2,0,0]=4 12813 B15R2.68122 O=C([O-])CN1CCCC2C1CCCC2 269982a_100000211887_100020667443 [0,0,0,2,0,0|2,0,0]=4 12814 B15R2.68122 O=C([O-])CN1CCCC2C1CCCC2 34a_100000211887_100020667443 [0,0,0,2,0,0|2,0,0]=4 12815 B15R2.1087 O=C1CC(C1)CNCCC2CCCC2 2230a_100000739158_100009874392 [0,0,0,2,0,0|2,0,0]=4 12816 B15R2.1087 O=C1CC(C1)COCCC2CCCC2 34a_100000101936_100000760354 [0,0,0,2,0,0|2,0,0]=4 12817 B15R2.1087 O=C1CC(C1)COCCC2CCCC2 7a_100000749090_100009874392 [0,0,0,2,0,0|2,0,0]=4 12818 B15R2.1087 O=C1CC(C1)CSCCC2CCCC2 62a_100000760354_100009874392 [0,0,0,2,0,0|2,0,0]=4 12819 B15R2.1087 O=C1CC(C1)CSCCC2CCCC2 62a_100009874392_100000760354 [0,0,0,2,0,0|2,0,0]=4 12820 B15R2.1087 O=C1CC(C1)SCCCC2CCCC2 62a_100009894365_100011713738 [0,0,0,2,0,0|2,0,0]=4 12821 B15R2.1221 NC(=O)C1CCCCN1C2CCCC2 2230a_100000181395_100000179811 [0,0,0,2,0,0|2,0,0]=4 12822 B15R2.1221 NC(=O)C1CCCCN1C2CCCC2 269982a_100000181395_100000179811 [0,0,0,2,0,0|2,0,0]=4 12823 B15R2.1221 NC(=O)C1CCCCN1C2CCCC2 270004a_100000181395_100000210133 [0,0,0,2,0,0|2,0,0]=4 12824 B15R2.1221 NC(=O)C1CCCCN1C2CCCC2 34a_100000181395_100000179811 [0,0,0,2,0,0|2,0,0]=4 12825 B15R2.1221 O=C(O)[C@H]1CCCCN1C2CCCC2 269956a_100000763471_100000179811 [0,0,0,2,0,0|2,0,0]=4 12826 B15R2.1236 O=C(O)C1CCN1CCC2CCCC2 269956a_100000021838_100000760354 [0,0,0,2,0,0|2,0,0]=4 12827 B15R2.1253 NC(=O)CN1CCCC1C2CCCC2 2230a_100000743374_100000747473 [0,0,0,2,0,0|2,0,0]=4 12828 B15R2.1253 NC(=O)CN1CCCC1C2CCCC2 269982a_100000743374_100000187820 [0,0,0,2,0,0|2,0,0]=4 12829 B15R2.1253 NC(=O)CN1CCCC1C2CCCC2 34a_100000743374_100000187820 [0,0,0,2,0,0|2,0,0]=4 12830 B15R2.1253 O=C([O-])CN1CCCC1C2CCCC2 269982a_100000743374_100020667443 [0,0,0,2,0,0|2,0,0]=4 12831 B15R2.1253 O=C([O-])CN1CCCC1C2CCCC2 34a_100000743374_100020667443 [0,0,0,2,0,0|2,0,0]=4 12832 B15R2.726 CCCC1CCCCN1C2CC(=O)C2 269982a_100000701414_100009894365 [0,0,0,2,0,0|2,0,0]=4 12833 B15R2.4190 CCN1[C@@H](C[C@H]2[C@@H]1CCCC2)C(=O)O 269956a_100000703543_100000210202 [0,0,0,2,0,0|2,0,0]=4 12834 B15R2.16162 O=C(O)CCC1CCCCN1C2CC2 269956a_100000694054_100000211595 [0,0,0,2,0,0|2,0,0]=4 12835 B15R2.19758 CC(=O)CCCN1CCCC1C2CC2 269982a_200000757794_100011215641 [0,0,0,2,0,0|2,0,0]=4 12836 B15R2.19758 CC(=O)CCCN1CCCC1C2CC2 34a_200000757794_100000685027 [0,0,0,2,0,0|2,0,0]=4 12837 B15R2.19758 NC(=O)CCCN1CCCC1C2CC2 269982a_200000757794_100102525003 [0,0,0,2,0,0|2,0,0]=4 12838 B15R2.19758 NC(=O)CCCN1CCCC1C2CC2 34a_200000757794_100102525003 [0,0,0,2,0,0|2,0,0]=4 12839 B15R2.82866 NC(=O)CNCC12CCCC1CCC2 2230a_100159271432_100000747473 [0,0,0,2,0,0|2,0,0]=4 12840 B15R2.82866 NC(=O)CNCC12CCCC1CCC2 34a_100159271432_100000187820 [0,0,0,2,0,0|2,0,0]=4 12841 B15R2.82866 O=C([O-])CNCC12CCCC1CCC2 34a_100159271432_100020667443 [0,0,0,2,0,0|2,0,0]=4 12842 B15R2.16245 O=C(O)C1CCCCCN1CC2CC2 269956a_100000758484_100000742324 [0,0,0,2,0,0|2,0,0]=4 12843 B15R2.69067 O=C(O)C1CCCCCN1C2CCC2 269956a_100000758484_100000749161 [0,0,0,2,0,0|2,0,0]=4 12844 B15R2.15210 O=C1CC(C1)CNC2CCCCCC2 2230a_100000210984_100009874392 [0,0,0,2,0,0|2,0,0]=4 12845 B15R2.15210 O=C1CC(C1)COC2CCCCCC2 34a_100000101936_100011217769 [0,0,0,2,0,0|2,0,0]=4 12846 B15R2.15210 O=C1CC(C1)COC2CCCCCC2 7a_100000210887_100009874392 [0,0,0,2,0,0|2,0,0]=4 12847 B15R2.15210 O=C1CC(C1)CSC2CCCCCC2 62a_100009874392_100011217769 [0,0,0,2,0,0|2,0,0]=4 12848 B15R2.15210 O=C1CC(C1)CSC2CCCCCC2 62a_100011217769_100009874392 [0,0,0,2,0,0|2,0,0]=4 12849 B15R2.15210 O=C1CC(C1)SCC2CCCCCC2 62a_100009894365_200000696569 [0,0,0,2,0,0|2,0,0]=4 12850 B15R2.15242 O=C1CC(C1)N2CCCCCCCC2 269982a_100000039187_100009894365 [0,0,0,2,0,0|2,0,0]=4 12851 B15R2.15298 O=C1CC(C1)CN2CCCCCCC2 2230a_100000211400_100009874392 [0,0,0,2,0,0|2,0,0]=4 12852 B15R2.15298 O=C1CC(C1)CN2CCCCCCC2 269982a_100000211400_100009874392 [0,0,0,2,0,0|2,0,0]=4 12853 B15R2.1162 CC(=O)N1C(CCC2C1CCCC2)C 11a_100132302184_100015343762 [0,0,0,2,0,0|2,0,0]=4 12854 B15R2.1162 CC(=O)N1C(CCC2C1CCCC2)C 240690a_100132302184_100015343762 [0,0,0,2,0,0|2,0,0]=4 12855 B15R2.1162 CC(=O)N1C(CCC2C1CCCC2)C 527a_100132302184_100103153847 [0,0,0,2,0,0|2,0,0]=4 12856 B15R2.19809 NC(=O)CC1CCCCN1CC2CC2 2230a_100015184752_100000742324 [0,0,0,2,0,0|2,0,0]=4 12857 B15R2.19809 NC(=O)CC1CCCCN1CC2CC2 269982a_100015184752_100000756562 [0,0,0,2,0,0|2,0,0]=4 12858 B15R2.19809 NC(=O)CC1CCCCN1CC2CC2 34a_100015184752_100000742324 [0,0,0,2,0,0|2,0,0]=4 12859 B15R2.19826 NC(=O)CC1CCCCN1C2CCC2 269982a_100015184752_100000749161 [0,0,0,2,0,0|2,0,0]=4 12860 B15R2.19826 NC(=O)CC1CCCCN1C2CCC2 270004a_100015184752_100000241760 [0,0,0,2,0,0|2,0,0]=4 12861 B15R2.19826 NC(=O)CC1CCCCN1C2CCC2 34a_100015184752_100000749161 [0,0,0,2,0,0|2,0,0]=4 12862 B15R2.714 CCCN1[C@@H](C[C@H]2[C@@H]1CCC2)C(=O)O 269956a_100015758391_100000210207 [0,0,0,2,0,0|2,0,0]=4 12863 B15R2.16319 NC(=O)C1CCCCN1CCC2CC2 2230a_100000181395_100000694398 [0,0,0,2,0,0|2,0,0]=4 12864 B15R2.16319 NC(=O)C1CCCCN1CCC2CC2 269982a_100000181395_100000694398 [0,0,0,2,0,0|2,0,0]=4 12865 B15R2.16319 NC(=O)C1CCCCN1CCC2CC2 34a_100000181395_100000694398 [0,0,0,2,0,0|2,0,0]=4 12866 B15R2.16319 O=C(O)[C@@H]1CCCC[C@H]1NCC2CC2 269956a_100009816435_100000742324 [0,0,0,2,0,0|2,0,0]=4 12867 B15R2.16319 O=C(O)[C@H]1CCCCN1CCC2CC2 269956a_100000763471_100000694398 [0,0,0,2,0,0|2,0,0]=4 12868 B15R2.16320 NC(=O)C1CCCCN1CC2CCC2 2230a_100000181395_100000763275 [0,0,0,2,0,0|2,0,0]=4 12869 B15R2.16320 NC(=O)C1CCCCN1CC2CCC2 269982a_100000181395_100000763275 [0,0,0,2,0,0|2,0,0]=4 12870 B15R2.16320 NC(=O)C1CCCCN1CC2CCC2 34a_100000181395_100000763275 [0,0,0,2,0,0|2,0,0]=4 12871 B15R2.16320 O=C(O)[C@@H]1CCCC[C@H]1NC2CCC2 269956a_100009816435_100000749161 [0,0,0,2,0,0|2,0,0]=4 12872 B15R2.16320 O=C(O)[C@H]1CCCCN1CC2CCC2 269956a_100000763471_100000763275 [0,0,0,2,0,0|2,0,0]=4 12873 B15R2.69054 O=C(O)C1CCN1C2CCCCCC2 269956a_100000021838_100011217769 [0,0,0,2,0,0|2,0,0]=4