0 B15R0.164 C=C(C)COC/C=C/CCCCCCCC 34a_200020667288_100000748629 [0,0,0,0,0,0|3,0,0]=3 1 B15R0.164 C=C(C)COC/C=C/CCCCCCCC 7a_200020667288_100000748629 [0,0,0,0,0,0|3,0,0]=3 2 B15R0.164 C=C(F)COC/C=C/CCCCCCCC 34a_200020667288_100009893438 [0,0,0,0,0,0|3,0,0]=3 3 B15R0.164 C=C(F)COC/C=C/CCCCCCCC 7a_200020667288_100000042424 [0,0,0,0,0,0|3,0,0]=3 4 B15R0.164 CC(=O)CCCCCCCCCCCCO 1458a_100000070787_100009813331 [0,0,0,0,0,0|2,0,2]=4 5 B15R0.164 CC(=O)CCCCNCCCCCCCO 34a_100011996573_100009817362 [0,0,0,0,0,0|3,0,1]=4 6 B15R0.164 CC(=O)CCCCOCCCCCCCBr 34a_100000760002_100009817362 [0,0,0,0,0,0|3,0,1]=4 7 B15R0.164 CC(=O)CCCCOCCCCCCCBr 7a_100000760002_100000735457 [0,0,0,0,0,0|3,0,1]=4 8 B15R0.164 CC(=O)CCCCOCCCCCCCN 34a_100011996573_100009817362 [0,0,0,0,0,0|3,0,1]=4 9 B15R0.164 CC(=O)CCCCSCCCCCCCO 62a_100000735457_100000760002 [0,0,0,0,0,0|3,0,1]=4 10 B15R0.164 CC(=O)CCCCSCCCCCCCO 62a_100000760002_100000735457 [0,0,0,0,0,0|3,0,1]=4 11 B15R0.164 CC(=O)CCCNCCCCCCCCO 34a_102515433106_100000685027 [0,0,0,0,0,0|3,0,1]=4 12 B15R0.164 CC(=O)CCCOCCCCCCCCBr 34a_100009813846_100000685027 [0,0,0,0,0,0|3,0,1]=4 13 B15R0.164 CC(=O)CCCOCCCCCCCCBr 7a_100009813846_100011215641 [0,0,0,0,0,0|3,0,1]=4 14 B15R0.164 CC(=O)CCCOCCCCCCCCCl 34a_100000033203_100000685027 [0,0,0,0,0,0|3,0,1]=4 15 B15R0.164 CC(=O)CCCOCCCCCCCCCl 7a_100000033203_100011215641 [0,0,0,0,0,0|3,0,1]=4 16 B15R0.164 CC(=O)CCCOCCCCCCCCN 34a_102515433106_100000685027 [0,0,0,0,0,0|3,0,1]=4 17 B15R0.164 CC(=O)CCCOCCCCCCCCO 34a_100000759063_100000033203 [0,0,0,0,0,0|3,0,1]=4 18 B15R0.164 CC(=O)CCCOCCCCCCCCO 7a_100000759063_100000033203 [0,0,0,0,0,0|3,0,1]=4 19 B15R0.164 CC(=O)CCCSCCCCCCCCO 62a_100000033203_100011215641 [0,0,0,0,0,0|3,0,1]=4 20 B15R0.164 CC(=O)CCCSCCCCCCCCO 62a_100011215641_100000033203 [0,0,0,0,0,0|3,0,1]=4 21 B15R0.164 CCCCCC/C=C/C=C/COCC(=O)N 34a_200028454808_100000187820 [0,0,0,0,0,0|2,0,2]=4 22 B15R0.164 CCCCCC/C=C/C=C/COCC(=O)N 7a_200028454808_100000187820 [0,0,0,0,0,0|2,0,2]=4 23 B15R0.164 CCCCCC/C=C/C=C/COCC(=O)[O-] 34a_200028454808_100020667443 [0,0,0,0,0,0|1,0,3]=4 24 B15R0.164 CCCCCCCC/C=C/COCC(=O)N 34a_200020667288_100000187820 [0,0,0,0,0,0|2,0,0]=2 25 B15R0.164 CCCCCCCC/C=C/COCC(=O)N 7a_200020667288_100000187820 [0,0,0,0,0,0|2,0,0]=2 26 B15R0.164 CCCCCCCC/C=C/COCC(=O)[O-] 34a_200020667288_100020667443 [0,0,0,0,0,0|1,0,1]=2 27 B15R0.164 CCCCCCCC/C=C/COCC(C)C 34a_200020667288_100000210624 [0,0,0,0,0,0|3,0,1]=4 28 B15R0.164 CCCCCCCC/C=C/COCC(C)C 7a_200020667288_100000210760 [0,0,0,0,0,0|3,0,1]=4 29 B15R0.164 CCCCCCCC/C=C/COCC(C)O 34a_200020667288_100011218427 [0,0,0,0,0,0|2,0,1]=3 30 B15R0.164 CCCCCCCC/C=C/COCC(C)O 7a_200020667288_100011218427 [0,0,0,0,0,0|2,0,1]=3 31 B15R0.164 CCCCCCCC/C=C/COCC(F)F 34a_200020667288_100011934356 [0,0,0,0,0,0|3,0,1]=4 32 B15R0.164 CCCCCCCC/C=C/COCC(F)F 7a_200020667288_100011934356 [0,0,0,0,0,0|3,0,1]=4 33 B15R0.164 CCCCCCCC/C=C/COC[C@@H](C)O 34a_200020667288_100009817552 [0,0,0,0,0,0|2,0,1]=3 34 B15R0.164 CCCCCCCC/C=C/COC[C@@H](C)O 7a_200020667288_100009817552 [0,0,0,0,0,0|2,0,1]=3 35 B15R0.164 CCCCCCCC/C=C/COC[N+](=O)[O-] 34a_200020667288_100000761209 [0,0,0,0,0,0|2,0,1]=3 36 B15R0.164 CCCCCCCCC=CC=NNC(=O)C 4a_100000189765_200015245481 [0,0,0,0,0,0|3,0,1]=4 37 B15R0.164 CCCCCCCCCCCCNC(=O)C 11a_100000210451_100015343762 [0,0,0,0,0,0|2,0,2]=4 38 B15R0.164 CCCCCCCCCCCCNC(=O)C 1626a_100000210451_100015343762 [0,0,0,0,0,0|2,0,2]=4 39 B15R0.164 CCCCCCCCCCCCNC(=O)C 240690a_100000210451_100015343762 [0,0,0,0,0,0|2,0,2]=4 40 B15R0.164 CCCCCCCCCCCCNC(=O)C 527a_100000210451_100103153847 [0,0,0,0,0,0|2,0,2]=4 41 B15R0.164 CCCCCCCCCCCNCC(=O)N 2230a_100000711301_100011215454 [0,0,0,0,0,0|2,0,2]=4 42 B15R0.164 CCCCCCCCCCCNCC(=O)N 2230a_200011215754_100000747473 [0,0,0,0,0,0|2,0,2]=4 43 B15R0.164 CCCCCCCCCCCNCC(=O)N 34a_200011215754_100000187820 [0,0,0,0,0,0|2,0,2]=4 44 B15R0.164 CCCCCCCCCCCNCC(=O)O 269956a_100016091260_100011215454 [0,0,0,0,0,0|1,0,2]=3 45 B15R0.164 CCCCCCCCCCCNCC(=O)[O-] 34a_200011215754_100020667443 [0,0,0,0,0,0|1,0,3]=4 46 B15R0.164 CCCCCCCCCCCOCC(=O)C 34a_100000211253_100011215454 [0,0,0,0,0,0|2,0,2]=4 47 B15R0.164 CCCCCCCCCCCOCC(=O)N 34a_100000210809_100000187820 [0,0,0,0,0,0|2,0,2]=4 48 B15R0.164 CCCCCCCCCCCOCC(=O)N 7a_100000210809_100000187820 [0,0,0,0,0,0|2,0,2]=4 49 B15R0.164 CCCCCCCCCCCOCC(=O)[O-] 34a_100000210809_100020667443 [0,0,0,0,0,0|1,0,3]=4 50 B15R0.164 CCCCCCCCCCCSCC(=O)N 62a_100000747473_100011215454 [0,0,0,0,0,0|2,0,2]=4 51 B15R0.164 CCCCCCCCCCCSCC(=O)[O-] 62a_100020667443_100011215454 [0,0,0,0,0,0|1,0,3]=4 52 B15R0.164 CCCCCCCCCCNCCC(=O)N 2230a_100000684558_100000744528 [0,0,0,0,0,0|2,0,2]=4 53 B15R0.164 CCCCCCCCCCNCCC(=O)N 34a_100000684558_100000731001 [0,0,0,0,0,0|2,0,2]=4 54 B15R0.164 CCCCCCCCCCNOCC(=O)O 269956a_100000106656_100000210320 [0,0,0,0,0,0|2,0,2]=4 55 B15R0.164 CCCCCCCCCCOCCC(=O)C 34a_100000759926_100000210320 [0,0,0,0,0,0|2,0,2]=4 56 B15R0.164 CCCCCCCCCCOCCC(=O)C 7a_100000210711_100000053229 [0,0,0,0,0,0|2,0,2]=4 57 B15R0.164 CCCCCCCCCCOCCC(=O)C 7a_100000759926_100000210320 [0,0,0,0,0,0|2,0,2]=4 58 B15R0.164 CCCCCCCCCCOCCC(=O)N 34a_100000210711_100000731001 [0,0,0,0,0,0|2,0,2]=4 59 B15R0.164 CCCCCCCCCCOCCC(=O)N 34a_100000757172_100000210320 [0,0,0,0,0,0|2,0,2]=4 60 B15R0.164 CCCCCCCCCCOCCC(=O)N 7a_100000210711_100000744528 [0,0,0,0,0,0|2,0,2]=4 61 B15R0.164 CCCCCCCCCCOCCC(=O)N 7a_100000757172_100000210320 [0,0,0,0,0,0|2,0,2]=4 62 B15R0.164 CCCCCCCCCCSCCC(=O)C 62a_100000053229_100000210320 [0,0,0,0,0,0|2,0,2]=4 63 B15R0.164 CCCCCCCCCCSCCC(=O)N 62a_100000744528_100000210320 [0,0,0,0,0,0|2,0,2]=4 64 B15R0.164 CCCCCCCCCNCCCC(=O)C 34a_100000212291_100000685027 [0,0,0,0,0,0|2,0,1]=3 65 B15R0.164 CCCCCCCCCNCCCC(=O)N 34a_100000212291_100102525003 [0,0,0,0,0,0|2,0,1]=3 66 B15R0.164 CCCCCCCCCNCCCC(=O)N 34a_100000739312_100011214924 [0,0,0,0,0,0|2,0,1]=3 67 B15R0.164 CCCCCCCCCNCCCC(C)O 2230a_100000212291_200000718107 [0,0,0,0,0,0|2,0,2]=4 68 B15R0.164 CCCCCCCCCNCCCC(C)O 34a_100000212291_200000718107 [0,0,0,0,0,0|2,0,2]=4 69 B15R0.164 CCCCCCCCCNCCCS(=O)C 2230a_200000753449_100011214924 [0,0,0,0,0,0|3,0,1]=4 70 B15R0.164 CCCCCCCCCNCCNC(=O)C 2230a_100000209853_100011214924 [0,0,0,0,0,0|3,0,1]=4 71 B15R0.164 CCCCCCCCCNCCNC(=O)C 2230a_100000212291_100000189650 [0,0,0,0,0,0|3,0,1]=4 72 B15R0.164 CCCCCCCCCNCCNC(=O)N 2230a_100000212291_200000034859 [0,0,0,0,0,0|3,0,1]=4 73 B15R0.164 CCCCCCCCCNCCNC(=O)N 34a_100020590234_100011214924 [0,0,0,0,0,0|3,0,1]=4 74 B15R0.164 CCCCCCCCCNCCOC(=O)C 34a_100000212291_100009814007 [0,0,0,0,0,0|3,0,1]=4 75 B15R0.164 CCCCCCCCCNCCOC(=O)N 34a_100000212291_200011214921 [0,0,0,0,0,0|3,0,1]=4 76 B15R0.164 CCCCCCCCCOCCCC(=O)C 34a_100000210712_100000685027 [0,0,0,0,0,0|2,0,1]=3 77 B15R0.164 CCCCCCCCCOCCCC(=O)C 34a_100000759063_100011214924 [0,0,0,0,0,0|2,0,1]=3 78 B15R0.164 CCCCCCCCCOCCCC(=O)C 7a_100000210712_100011215641 [0,0,0,0,0,0|2,0,1]=3 79 B15R0.164 CCCCCCCCCOCCCC(=O)C 7a_100000759063_100000210328 [0,0,0,0,0,0|2,0,1]=3 80 B15R0.164 CCCCCCCCCOCCCC(=O)N 34a_100000210712_100102525003 [0,0,0,0,0,0|2,0,1]=3 81 B15R0.164 CCCCCCCCCOCCCC(=O)N 7a_100000210712_100102525003 [0,0,0,0,0,0|2,0,1]=3 82 B15R0.164 CCCCCCCCCOCCCC(C)O 34a_100000210712_200000718107 [0,0,0,0,0,0|2,0,2]=4 83 B15R0.164 CCCCCCCCCOCCCC(C)O 7a_100000210712_200000718107 [0,0,0,0,0,0|2,0,2]=4 84 B15R0.164 CCCCCCCCCOCCC[N+](=O)[O-] 34a_200000037920_100011214924 [0,0,0,0,0,0|2,0,2]=4 85 B15R0.164 CCCCCCCCCOCCNC(=O)C 34a_100000158858_100011214924 [0,0,0,0,0,0|3,0,1]=4 86 B15R0.164 CCCCCCCCCOCCNC(=O)C 7a_100000210712_100000189650 [0,0,0,0,0,0|3,0,1]=4 87 B15R0.164 CCCCCCCCCOCCNC(=O)N 34a_100000181757_100011214924 [0,0,0,0,0,0|3,0,1]=4 88 B15R0.164 CCCCCCCCCOCCNC(=O)N 7a_100000210712_200000034859 [0,0,0,0,0,0|3,0,1]=4 89 B15R0.164 CCCCCCCCCOCCOC(=O)C 34a_100000210712_100009814007 [0,0,0,0,0,0|3,0,1]=4 90 B15R0.164 CCCCCCCCCOCCOC(=O)C 7a_100000210712_100009814007 [0,0,0,0,0,0|3,0,1]=4 91 B15R0.164 CCCCCCCCCOCCOC(=O)N 34a_100000210712_200011214921 [0,0,0,0,0,0|3,0,1]=4 92 B15R0.164 CCCCCCCCCOCCOC(=O)N 7a_100000210712_200011214921 [0,0,0,0,0,0|3,0,1]=4 93 B15R0.164 CCCCCCCCCOCCOC(=O)N 7a_100000766696_100000210328 [0,0,0,0,0,0|3,0,1]=4 94 B15R0.164 CCCCCCCCCSCCCC(=O)C 62a_100011215641_100000210670 [0,0,0,0,0,0|2,0,1]=3 95 B15R0.164 CCCCCCCCCSCCCC(=O)N 62a_100102525003_100000210670 [0,0,0,0,0,0|2,0,1]=3 96 B15R0.164 CCCCCCCCCSCCCC(C)O 62a_200000718107_100000210670 [0,0,0,0,0,0|2,0,2]=4 97 B15R0.164 CCCCCCCCCSCCNC(=O)C 62a_100000189650_100000210670 [0,0,0,0,0,0|3,0,1]=4 98 B15R0.164 CCCCCCCCCSCCNC(=O)N 62a_200000034859_100000210670 [0,0,0,0,0,0|3,0,1]=4 99 B15R0.164 CCCCCCCCCSCCOC(=O)C 62a_100009814007_100000210670 [0,0,0,0,0,0|3,0,1]=4 100 B15R0.164 CCCCCCCCCSCCOC(=O)N 62a_200011214921_100000210670 [0,0,0,0,0,0|3,0,1]=4 101 B15R0.164 CCCCCCCCNCCCCB(O)O 2230a_100000229939_200009817182 [0,0,0,0,0,0|2,0,2]=4 102 B15R0.164 CCCCCCCCNCCCCB(O)O 34a_100000229939_200009817182 [0,0,0,0,0,0|2,0,2]=4 103 B15R0.164 CCCCCCCCNCCCCC(=O)C 34a_100000229939_100009817362 [0,0,0,0,0,0|2,0,1]=3 104 B15R0.164 CCCCCCCCNCCCCC(=O)N 34a_100000696515_100000210759 [0,0,0,0,0,0|2,0,1]=3 105 B15R0.164 CCCCCCCCNCCCNC(=O)C 34a_100000736810_100000210759 [0,0,0,0,0,0|3,0,1]=4 106 B15R0.164 CCCCCCCCNCCCOC(=O)C 34a_100000229939_100000042594 [0,0,0,0,0,0|3,0,1]=4 107 B15R0.164 CCCCCCCCNCCCSC(=O)C 2230a_100000229939_100000038929 [0,0,0,0,0,0|3,0,1]=4 108 B15R0.164 CCCCCCCCNCCCSC(=O)C 34a_100000229939_100000038929 [0,0,0,0,0,0|3,0,1]=4 109 B15R0.164 CCCCCCCCNCCOCC(=O)N 2230a_100000229939_100000076697 [0,0,0,0,0,0|3,0,1]=4 110 B15R0.164 CCCCCCCCNCCOCC(=O)N 34a_100000229939_100000076697 [0,0,0,0,0,0|3,0,1]=4 111 B15R0.164 CCCCCCCCNCCOCC(=O)O 269956a_100000700818_100000210759 [0,0,0,0,0,0|2,0,1]=3 112 B15R0.164 CCCCCCCCOCCCCB(O)O 34a_100000210232_200009817182 [0,0,0,0,0,0|2,0,2]=4 113 B15R0.164 CCCCCCCCOCCCCB(O)O 7a_100000210232_200009817182 [0,0,0,0,0,0|2,0,2]=4 114 B15R0.164 CCCCCCCCOCCCCC(=O)C 34a_100000210232_100009817362 [0,0,0,0,0,0|2,0,1]=3 115 B15R0.164 CCCCCCCCOCCCCC(=O)C 7a_100000210232_100000735457 [0,0,0,0,0,0|2,0,1]=3 116 B15R0.164 CCCCCCCCOCCCCC(=O)N 34a_100012022536_100000210759 [0,0,0,0,0,0|2,0,1]=3 117 B15R0.164 CCCCCCCCOCCCCC(=O)N 7a_100012022536_100000210759 [0,0,0,0,0,0|2,0,1]=3 118 B15R0.164 CCCCCCCCOCCCC[N+](=O)[O-] 34a_200015379883_100000210759 [0,0,0,0,0,0|2,0,2]=4 119 B15R0.164 CCCCCCCCOCCCC[N+](=O)[O-] 7a_200015379883_100000210759 [0,0,0,0,0,0|2,0,2]=4 120 B15R0.164 CCCCCCCCOCCCNC(=O)C 34a_100000752032_100000210759 [0,0,0,0,0,0|3,0,1]=4 121 B15R0.164 CCCCCCCCOCCCOC(=O)C 34a_100000210232_100000042594 [0,0,0,0,0,0|3,0,1]=4 122 B15R0.164 CCCCCCCCOCCCOC(=O)C 7a_100000210232_100000042594 [0,0,0,0,0,0|3,0,1]=4 123 B15R0.164 CCCCCCCCOCCCSC(=O)C 34a_100000210232_100000038929 [0,0,0,0,0,0|3,0,1]=4 124 B15R0.164 CCCCCCCCOCCCSC(=O)C 7a_100000210232_100000038929 [0,0,0,0,0,0|3,0,1]=4 125 B15R0.164 CCCCCCCCOCCOCC(=O)N 34a_100000210232_100000076697 [0,0,0,0,0,0|3,0,1]=4 126 B15R0.164 CCCCCCCCOCCOCC(=O)N 7a_100000210232_100000076697 [0,0,0,0,0,0|3,0,1]=4 127 B15R0.164 CCCCCCCCSCCCCB(O)O 62a_100000210759_200009817182 [0,0,0,0,0,0|2,0,2]=4 128 B15R0.164 CCCCCCCCSCCCCB(O)O 62a_200009817182_100000210317 [0,0,0,0,0,0|2,0,2]=4 129 B15R0.164 CCCCCCCCSCCCCC(=O)C 62a_100000210759_100000735457 [0,0,0,0,0,0|2,0,1]=3 130 B15R0.164 CCCCCCCCSCCCCC(=O)C 62a_100000735457_100000210317 [0,0,0,0,0,0|2,0,1]=3 131 B15R0.164 CCCCCCCCSCCCOC(=O)C 62a_100000042594_100000210317 [0,0,0,0,0,0|3,0,1]=4 132 B15R0.164 CCCCCCCCSCCCOC(=O)C 62a_100000210759_100000042594 [0,0,0,0,0,0|3,0,1]=4 133 B15R0.164 CCCCCCCCSCCCSC(=O)C 62a_100000038929_100000210317 [0,0,0,0,0,0|3,0,1]=4 134 B15R0.164 CCCCCCCCSCCCSC(=O)C 62a_100000210759_100000038929 [0,0,0,0,0,0|3,0,1]=4 135 B15R0.164 CCCCCCCCSCCOCC(=O)N 62a_100000076697_100000210317 [0,0,0,0,0,0|3,0,1]=4 136 B15R0.164 CCCCCCCCSCCOCC(=O)N 62a_100000210759_100000076697 [0,0,0,0,0,0|3,0,1]=4 137 B15R0.164 CCCCCCCNCCCCCC(=O)N 2230a_100000229938_100009817443 [0,0,0,0,0,0|2,0,2]=4 138 B15R0.164 CCCCCCCOCCCCCC(=O)N 34a_100000123541_100000210614 [0,0,0,0,0,0|2,0,2]=4 139 B15R0.164 CCCCCCCOCCCCCC(=O)N 34a_100000210272_100009817443 [0,0,0,0,0,0|2,0,2]=4 140 B15R0.164 CCCCCCCOCCCCCC(=O)N 7a_100000123541_100000210614 [0,0,0,0,0,0|2,0,2]=4 141 B15R0.164 CCCCCCCOCCCCCC(=O)N 7a_100000210272_100009817443 [0,0,0,0,0,0|2,0,2]=4 142 B15R0.164 CCCCCCCOCCCCCC(=O)[O-] 7a_100102619762_100000210614 [0,0,0,0,0,0|1,0,3]=4 143 B15R0.164 CCCCCCCSCCCCCC(=O)N 62a_100000210614_100009817443 [0,0,0,0,0,0|2,0,2]=4 144 B15R0.164 CCCCCCCSCCCCCC(=O)N 62a_100009817443_100000210316 [0,0,0,0,0,0|2,0,2]=4 145 B15R0.164 CCCCCCOCCOCCCC(=O)C 34a_100000691444_100000685027 [0,0,0,0,0,0|3,0,1]=4 146 B15R0.164 CCCCCCOCCOCCCC(=O)C 7a_100000691444_100011215641 [0,0,0,0,0,0|3,0,1]=4 147 B15R0.164 CCCCCCOCCOCCCC(=O)N 34a_100000691444_100102525003 [0,0,0,0,0,0|3,0,1]=4 148 B15R0.164 CCCCCCOCCOCCCC(=O)N 7a_100000691444_100102525003 [0,0,0,0,0,0|3,0,1]=4 149 B15R0.164 CCCCCNCCOCCCCC(=O)C 34a_100000224656_100009817362 [0,0,0,0,0,0|3,0,1]=4 150 B15R0.164 CCCCCNCCOCCOCC(=O)O 269956a_100009854275_100000210326 [0,0,0,0,0,0|3,0,1]=4 151 B15R0.164 CCCCCOCCOCCCCC(=O)C 34a_100011215259_100009817362 [0,0,0,0,0,0|3,0,1]=4 152 B15R0.164 CCCCCOCCOCCCCC(=O)C 7a_100011215259_100000735457 [0,0,0,0,0,0|3,0,1]=4 153 B15R0.164 CCCCNCCCCOCCCC(=O)C 34a_200011216965_100000685027 [0,0,0,0,0,0|3,0,1]=4 154 B15R0.164 CCCCNCCCCOCCCC(=O)N 34a_200011216965_100102525003 [0,0,0,0,0,0|3,0,1]=4 155 B15R0.164 CCCCOCCCCOCCCC(=O)C 34a_200000760531_100000685027 [0,0,0,0,0,0|3,0,1]=4 156 B15R0.164 CCCCOCCCCOCCCC(=O)C 7a_200000760531_100011215641 [0,0,0,0,0,0|3,0,1]=4 157 B15R0.164 CCCCOCCCCOCCCC(=O)N 34a_200000760531_100102525003 [0,0,0,0,0,0|3,0,1]=4 158 B15R0.164 CCCCOCCCCOCCCC(=O)N 7a_200000760531_100102525003 [0,0,0,0,0,0|3,0,1]=4 159 B15R0.164 CCCCOCCCNCCCCC(=O)C 34a_200000211371_100009817362 [0,0,0,0,0,0|3,0,1]=4 160 B15R0.164 CCCCOCCCOCCCCC(=O)C 34a_200011215613_100009817362 [0,0,0,0,0,0|3,0,1]=4 161 B15R0.164 CCCCOCCCOCCCCC(=O)C 7a_200011215613_100000735457 [0,0,0,0,0,0|3,0,1]=4 162 B15R0.164 CCNCCCCCCCCCCC(=O)N 2230a_100015525214_200010167045 [0,0,0,0,0,0|2,0,2]=4 163 B15R0.164 CCOCCCCCCCCCCC(=O)N 34a_100121572206_200010167045 [0,0,0,0,0,0|2,0,2]=4 164 B15R0.164 CCSCCCCCCCCCCC(=O)N 62a_100000210202_200010167045 [0,0,0,0,0,0|2,0,2]=4 165 B15R0.164 CCSCCCCCCCCCCC(=O)N 62a_200010167045_100000210202 [0,0,0,0,0,0|2,0,2]=4 166 B15R0.164 COCCCCCCNCCCCC(=O)N 34a_100000696515_100011998445 [0,0,0,0,0,0|3,0,1]=4 167 B15R0.164 COCCCCCCNCCOCC(=O)O 269956a_100000700818_100011998445 [0,0,0,0,0,0|3,0,1]=4 168 B15R0.164 COCCCCCCOCCCCC(=O)C 34a_200012092642_100009817362 [0,0,0,0,0,0|3,0,1]=4 169 B15R0.164 COCCCCCCOCCCCC(=O)C 7a_200012092642_100000735457 [0,0,0,0,0,0|3,0,1]=4 170 B15R0.164 COCCCCCCOCCCCC(=O)N 34a_100012022536_100011998445 [0,0,0,0,0,0|3,0,1]=4 171 B15R0.164 COCCCCCCOCCCCC(=O)N 7a_100012022536_100011998445 [0,0,0,0,0,0|3,0,1]=4 172 B15R0.164 COCCCCCCSCCCCC(=O)C 62a_100000735457_100011998445 [0,0,0,0,0,0|3,0,1]=4 173 B15R0.164 COCCCCCCSCCCCC(=O)C 62a_100011998445_100000735457 [0,0,0,0,0,0|3,0,1]=4 174 B15R0.164 NC(=O)CCCCNCCCCCCCO 34a_100000696515_100000760002 [0,0,0,0,0,0|3,0,1]=4 175 B15R0.164 NC(=O)CCCCOCCCCCCCO 34a_100012022536_100000760002 [0,0,0,0,0,0|3,0,1]=4 176 B15R0.164 NC(=O)CCCCOCCCCCCCO 7a_100012022536_100000760002 [0,0,0,0,0,0|3,0,1]=4 177 B15R0.164 NC(=O)CCCNCCCCCCCCO 34a_100000739312_100000033203 [0,0,0,0,0,0|3,0,1]=4 178 B15R0.164 NC(=O)CCCNCCCCCCCCO 34a_102515433106_100102525003 [0,0,0,0,0,0|3,0,1]=4 179 B15R0.164 NC(=O)CCCOCCCCCCCCBr 34a_100009813846_100102525003 [0,0,0,0,0,0|3,0,1]=4 180 B15R0.164 NC(=O)CCCOCCCCCCCCBr 7a_100009813846_100102525003 [0,0,0,0,0,0|3,0,1]=4 181 B15R0.164 NC(=O)CCCOCCCCCCCCCl 34a_100000033203_100102525003 [0,0,0,0,0,0|3,0,1]=4 182 B15R0.164 NC(=O)CCCOCCCCCCCCCl 7a_100000033203_100102525003 [0,0,0,0,0,0|3,0,1]=4 183 B15R0.164 NC(=O)CCCSCCCCCCCCO 62a_100000033203_100102525003 [0,0,0,0,0,0|3,0,1]=4 184 B15R0.164 NC(=O)CCCSCCCCCCCCO 62a_100102525003_100000033203 [0,0,0,0,0,0|3,0,1]=4 185 B15R0.164 NCCCCCCCCOCCCC(=O)N 34a_102515433106_100102525003 [0,0,0,0,0,0|3,0,1]=4 186 B15R0.164 O=C(O)CNCCCCCCCCCCO 269956a_100016091260_100009813290 [0,0,0,0,0,0|2,0,2]=4 187 B15R0.164 O=C(O)COCCNCCCCCCCO 269956a_100000700818_100000760002 [0,0,0,0,0,0|3,0,1]=4 188 B14R0.392 C#CCOC/C=C/CCCCCCCC 34a_200020667288_100000184674 [1,0,0,0,0,0|2,0,1]=4 189 B14R0.392 C#CCOC/C=C/CCCCCCCC 7a_200020667288_100000038162 [1,0,0,0,0,0|2,0,1]=4 190 B14R0.392 C=CCCC/C=C/COCCCCCC 34a_200016268473_100000210314 [1,0,0,0,0,0|2,0,0]=3 191 B14R0.392 C=CCCC/C=C/COCCCCCC 7a_200016268473_100000210314 [1,0,0,0,0,0|2,0,0]=3 192 B14R0.392 C=CCCC/C=C/COCCCCCF 34a_200016268473_100000729378 [1,0,0,0,0,0|3,0,0]=4 193 B14R0.392 C=CCCC/C=C/COCCCCCF 7a_200016268473_100000729378 [1,0,0,0,0,0|3,0,0]=4 194 B14R0.392 C=CCCC/C=C/COCCCCCO 34a_200016268473_100000746330 [1,0,0,0,0,0|3,0,0]=4 195 B14R0.392 C=CCCC/C=C/COCCCCCO 7a_200016268473_100000746330 [1,0,0,0,0,0|3,0,0]=4 196 B14R0.392 C=CCCC/C=C/COCCCCOC 34a_200016268473_100000755781 [1,0,0,0,0,0|3,0,0]=4 197 B14R0.392 C=CCCC/C=C/COCCCCOC 7a_200016268473_100000730899 [1,0,0,0,0,0|3,0,0]=4 198 B14R0.392 C=CCCC/C=C/COCCCOCC 34a_200016268473_100012232248 [1,0,0,0,0,0|3,0,0]=4 199 B14R0.392 C=CCCC/C=C/COCCCOCC 7a_200016268473_100012232248 [1,0,0,0,0,0|3,0,0]=4 200 B14R0.392 C=CCCC/C=C/COCCOCCC 34a_200016268473_100011215938 [1,0,0,0,0,0|3,0,0]=4 201 B14R0.392 C=CCCC/C=C/COCCOCCC 7a_200016268473_100011215938 [1,0,0,0,0,0|3,0,0]=4 202 B14R0.392 C=CCCC/C=C/COCOCCCC 34a_200016268473_100011995733 [1,0,0,0,0,0|3,0,0]=4 203 B14R0.392 C=CCCCCNCCCCCCCC 2230a_100000229939_100011215482 [1,0,0,0,0,0|2,0,1]=4 204 B14R0.392 C=CCCCCNCCCCCCCC 2230a_100000703577_100000210759 [1,0,0,0,0,0|2,0,1]=4 205 B14R0.392 C=CCCCCNCCCCCCCC 34a_100000229939_100011215482 [1,0,0,0,0,0|2,0,1]=4 206 B14R0.392 C=CCCCCNCCCCCCCC 34a_100000703577_100000210759 [1,0,0,0,0,0|2,0,1]=4 207 B14R0.392 C=CCCCCOCCCCCCCC 34a_100000210232_100011215482 [1,0,0,0,0,0|2,0,1]=4 208 B14R0.392 C=CCCCCOCCCCCCCC 34a_100000766645_100000210759 [1,0,0,0,0,0|2,0,1]=4 209 B14R0.392 C=CCCCCOCCCCCCCC 7a_100000210232_100011215482 [1,0,0,0,0,0|2,0,1]=4 210 B14R0.392 C=CCCCCOCCCCCCCC 7a_100000766645_100000210759 [1,0,0,0,0,0|2,0,1]=4 211 B14R0.392 C=CCCCNCCCCCCCCC 2230a_100000212291_100011713584 [1,0,0,0,0,0|2,0,1]=4 212 B14R0.392 C=CCCCNCCCCCCCCC 2230a_100000700776_100011214924 [1,0,0,0,0,0|2,0,1]=4 213 B14R0.392 C=CCCCNCCCCCCCCC 34a_100000212291_100000757094 [1,0,0,0,0,0|2,0,1]=4 214 B14R0.392 C=CCCCNCCCCCCCCC 34a_100000700776_100011214924 [1,0,0,0,0,0|2,0,1]=4 215 B14R0.392 C=CCCCOCCCCCCCCC 34a_100000210712_100000757094 [1,0,0,0,0,0|2,0,1]=4 216 B14R0.392 C=CCCCOCCCCCCCCC 34a_100000758997_100011214924 [1,0,0,0,0,0|2,0,1]=4 217 B14R0.392 C=CCCCOCCCCCCCCC 7a_100000210712_100000757094 [1,0,0,0,0,0|2,0,1]=4 218 B14R0.392 C=CCCCOCCCCCCCCC 7a_100000758997_100000210328 [1,0,0,0,0,0|2,0,1]=4 219 B14R0.392 C=CCOC/C=C/CCCCCCCC 34a_200020667288_100015514636 [1,0,0,0,0,0|2,0,0]=3 220 B14R0.392 C=CCOC/C=C/CCCCCCCC 7a_200020667288_100015514636 [1,0,0,0,0,0|2,0,0]=3 221 B14R0.392 CCCCC/C=C/COCCCCCC 34a_100016258190_100000210314 [1,0,0,0,0,0|2,0,1]=4 222 B14R0.392 CCCCC/C=C/COCCCCCC 7a_100016258190_100000210314 [1,0,0,0,0,0|2,0,1]=4 223 B14R0.392 CCCCC/C=C\CCCOCCCC 34a_100020655193_100000210210 [1,0,0,0,0,0|2,0,1]=4 224 B14R0.392 CCCCC/C=C\CCCOCCCC 7a_100020655193_100000210211 [1,0,0,0,0,0|2,0,1]=4 225 B14R0.392 CCCCC/C=C\CCOCCCCC 34a_100016277358_100000718602 [1,0,0,0,0,0|2,0,1]=4 226 B14R0.392 CCCCC/C=C\CCOCCCCC 7a_100016277358_100000210326 [1,0,0,0,0,0|2,0,1]=4 227 B14R0.392 CCCCCC/C=C/C=C/COCC=O 34a_200028454808_200009817547 [1,0,0,0,0,0|1,0,2]=4 228 B14R0.392 CCCCCC/C=C/C=C/COCC=O 7a_200028454808_200015260668 [1,0,0,0,0,0|1,0,2]=4 229 B14R0.392 CCCCCCCC/C=C/COCC#N 7a_200020667288_100011215382 [1,0,0,0,0,0|2,0,1]=4 230 B14R0.392 CCCCCCCC/C=C/COCC=O 34a_200020667288_200009817547 [1,0,0,0,0,0|1,0,0]=2 231 B14R0.392 CCCCCCCC/C=C/COCC=O 7a_200020667288_200015260668 [1,0,0,0,0,0|1,0,0]=2 232 B14R0.392 CCCCCCCC/C=C/COCCC 34a_200020667288_100000210303 [1,0,0,0,0,0|2,0,1]=4 233 B14R0.392 CCCCCCCC/C=C/COCCC 7a_200020667288_100000210303 [1,0,0,0,0,0|2,0,1]=4 234 B14R0.392 CCCCCCCC/C=C/COCCF 34a_200020667288_100011217306 [1,0,0,0,0,0|2,0,1]=4 235 B14R0.392 CCCCCCCC/C=C/COCCF 7a_200020667288_100011217306 [1,0,0,0,0,0|2,0,1]=4 236 B14R0.392 CCCCCCCC/C=C/COCCO 34a_200020667288_100000211926 [1,0,0,0,0,0|1,0,1]=3 237 B14R0.392 CCCCCCCC/C=C/COCCO 7a_200020667288_100000211926 [1,0,0,0,0,0|1,0,1]=3 238 B14R0.392 CCCCCCCC/C=C/COCSC 34a_200020667288_100011218213 [1,0,0,0,0,0|3,0,0]=4 239 B14R0.392 CCCCCCCCCCCNCC=O 2230a_200011215754_200015260668 [1,0,0,0,0,0|1,0,2]=4 240 B14R0.392 CCCCCCCCCCCNCC=O 34a_200011215754_200009817547 [1,0,0,0,0,0|1,0,2]=4 241 B14R0.392 CCCCCCCCCCCOCC=O 34a_100000210809_200009817547 [1,0,0,0,0,0|1,0,2]=4 242 B14R0.392 CCCCCCCCCCCOCC=O 7a_100000210809_200015260668 [1,0,0,0,0,0|1,0,2]=4 243 B14R0.392 CCCCCCCCCCCSCC=O 62a_200015260668_100011215454 [1,0,0,0,0,0|1,0,2]=4 244 B14R0.392 CCCCCCCCCNCCCC=O 2230a_100000212291_200011292268 [1,0,0,0,0,0|1,0,1]=3 245 B14R0.392 CCCCCCCCCNCCCCO 2230a_100000212291_100000210776 [1,0,0,0,0,0|1,0,2]=4 246 B14R0.392 CCCCCCCCCNCCCCO 2230a_100000750430_100011214924 [1,0,0,0,0,0|1,0,2]=4 247 B14R0.392 CCCCCCCCCNCCCCO 34a_100000212291_100011216708 [1,0,0,0,0,0|1,0,2]=4 248 B14R0.392 CCCCCCCCCNCCCCO 34a_100000750430_100011214924 [1,0,0,0,0,0|1,0,2]=4 249 B14R0.392 CCCCCCCCCOCCCC=O 7a_100000210712_200011292268 [1,0,0,0,0,0|1,0,1]=3 250 B14R0.392 CCCCCCCCCOCCCCO 34a_100000210712_100011216708 [1,0,0,0,0,0|1,0,2]=4 251 B14R0.392 CCCCCCCCCOCCCCO 7a_100000210712_100000210776 [1,0,0,0,0,0|1,0,2]=4 252 B14R0.392 CCCCCCCCCSCCCC=O 62a_200011292268_100000210670 [1,0,0,0,0,0|1,0,1]=3 253 B14R0.392 CCCCCCCCCSCCCCO 62a_100000210776_100000210670 [1,0,0,0,0,0|1,0,2]=4 254 B14R0.392 CCCCCCCCNCCCCC=O 2230a_100000229939_100000139335 [1,0,0,0,0,0|1,0,1]=3 255 B14R0.392 CCCCCCCCNCCCCCO 2230a_100000229939_100000746330 [1,0,0,0,0,0|1,0,2]=4 256 B14R0.392 CCCCCCCCNCCCCCO 2230a_100000762737_100000210759 [1,0,0,0,0,0|1,0,2]=4 257 B14R0.392 CCCCCCCCNCCCCCO 34a_100000229939_100000746330 [1,0,0,0,0,0|1,0,2]=4 258 B14R0.392 CCCCCCCCNCCCCCO 34a_100000762737_100000210759 [1,0,0,0,0,0|1,0,2]=4 259 B14R0.392 CCCCCCCCOCCCCC=O 7a_100000210232_100000139335 [1,0,0,0,0,0|1,0,1]=3 260 B14R0.392 CCCCCCCCOCCCCCO 34a_100000210232_100000746330 [1,0,0,0,0,0|1,0,2]=4 261 B14R0.392 CCCCCCCCOCCCCCO 7a_100000210232_100000746330 [1,0,0,0,0,0|1,0,2]=4 262 B14R0.392 CCCCCCCCSCCCCC=O 62a_100000139335_100000210317 [1,0,0,0,0,0|1,0,1]=3 263 B14R0.392 CCCCCCCCSCCCCC=O 62a_100000210759_100000139335 [1,0,0,0,0,0|1,0,1]=3 264 B14R0.392 CCCCCCCCSCCCCCO 62a_100000210759_100000746330 [1,0,0,0,0,0|1,0,2]=4 265 B14R0.392 CCCCCCCCSCCCCCO 62a_100000746330_100000210317 [1,0,0,0,0,0|1,0,2]=4 266 B14R0.392 CCCCCCCNCCCCCC=O 2230a_100000229938_100000139337 [1,0,0,0,0,0|1,0,2]=4 267 B14R0.392 CCCCCCCOCCCCCC=O 7a_100000210272_100000139337 [1,0,0,0,0,0|1,0,2]=4 268 B14R0.392 CCCCCCCSCCCCCC=O 62a_100000139337_100000210316 [1,0,0,0,0,0|1,0,2]=4 269 B14R0.392 CCCCCCCSCCCCCC=O 62a_100000210614_100000139337 [1,0,0,0,0,0|1,0,2]=4 270 B14R0.392 CCCCCCOCCOCCCC=O 7a_100000691444_200011292268 [1,0,0,0,0,0|2,0,1]=4 271 B14R0.392 CCCCCOCCOCCCCC=O 7a_100011215259_100000139335 [1,0,0,0,0,0|2,0,1]=4 272 B14R0.392 CCCCOCCCCOCCCC=O 7a_200000760531_200011292268 [1,0,0,0,0,0|2,0,1]=4 273 B14R0.392 CCCCOCCCNCCCCC=O 2230a_200000211371_100000139335 [1,0,0,0,0,0|2,0,1]=4 274 B14R0.392 CCCCOCCCOCCCCC=O 7a_200011215613_100000139335 [1,0,0,0,0,0|2,0,1]=4 275 B14R0.392 COCCCCCCOCCCCC=O 7a_200012092642_100000139335 [1,0,0,0,0,0|2,0,1]=4 276 B14R0.392 COCCCCCCSCCCCC=O 62a_100000139335_100011998445 [1,0,0,0,0,0|2,0,1]=4 277 B14R0.392 COCCCCCCSCCCCC=O 62a_100011998445_100000139335 [1,0,0,0,0,0|2,0,1]=4 278 B14R0.392 O=CCCCCNCCCCCCCO 2230a_100011996573_100000139335 [1,0,0,0,0,0|2,0,1]=4 279 B14R0.392 O=CCCCCOCCCCCCCBr 7a_100000760002_100000139335 [1,0,0,0,0,0|2,0,1]=4 280 B14R0.392 O=CCCCCSCCCCCCCO 62a_100000139335_100000760002 [1,0,0,0,0,0|2,0,1]=4 281 B14R0.392 O=CCCCCSCCCCCCCO 62a_100000760002_100000139335 [1,0,0,0,0,0|2,0,1]=4 282 B14R0.392 O=CCCCNCCCCCCCCO 2230a_102515433106_200011292268 [1,0,0,0,0,0|2,0,1]=4 283 B14R0.392 O=CCCCOCCCCCCCCBr 7a_100009813846_200011292268 [1,0,0,0,0,0|2,0,1]=4 284 B14R0.392 O=CCCCOCCCCCCCCCl 7a_100000033203_200011292268 [1,0,0,0,0,0|2,0,1]=4 285 B14R0.392 O=CCCCSCCCCCCCCO 62a_100000033203_200011292268 [1,0,0,0,0,0|2,0,1]=4 286 B14R0.392 O=CCCCSCCCCCCCCO 62a_200011292268_100000033203 [1,0,0,0,0,0|2,0,1]=4 287 B14R0.394 CC(=O)CCCCCCCCCCCO 1458a_100000070787_100009812471 [1,0,0,0,0,0|2,0,1]=4 288 B14R0.394 CC(=O)CCCNCCCCCCCO 34a_100011996573_100000685027 [1,0,0,0,0,0|3,0,0]=4 289 B14R0.394 CC(=O)CCCOCCCCCCCBr 34a_100000760002_100000685027 [1,0,0,0,0,0|3,0,0]=4 290 B14R0.394 CC(=O)CCCOCCCCCCCBr 7a_100000760002_100011215641 [1,0,0,0,0,0|3,0,0]=4 291 B14R0.394 CC(=O)CCCOCCCCCCCN 34a_100011996573_100000685027 [1,0,0,0,0,0|3,0,0]=4 292 B14R0.394 CC(=O)CCCOCCCCCCCO 34a_100000759063_100000760002 [1,0,0,0,0,0|3,0,0]=4 293 B14R0.394 CC(=O)CCCOCCCCCCCO 7a_100000759063_100000760002 [1,0,0,0,0,0|3,0,0]=4 294 B14R0.394 CC(=O)CCCSCCCCCCCO 62a_100000760002_100011215641 [1,0,0,0,0,0|3,0,0]=4 295 B14R0.394 CC(=O)CCCSCCCCCCCO 62a_100011215641_100000760002 [1,0,0,0,0,0|3,0,0]=4 296 B14R0.394 CCCCCCCCCCCCC(=O)C 1458a_100000070787_100000759014 [1,0,0,0,0,0|1,0,1]=3 297 B14R0.394 CCCCCCCCCCCCC(=O)C 1458a_100011215791_200000210301 [1,0,0,0,0,0|1,0,1]=3 298 B14R0.394 CCCCCCCCCCCCC(=O)[13CH3] 1458a_100011215791_200025704644 [1,0,0,0,0,0|1,0,1]=3 299 B14R0.394 CCCCCCCCCCCNC(=O)C 11a_200011215754_100015343762 [1,0,0,0,0,0|2,0,1]=4 300 B14R0.394 CCCCCCCCCCCNC(=O)C 1626a_200011215754_100015343762 [1,0,0,0,0,0|2,0,1]=4 301 B14R0.394 CCCCCCCCCCCNC(=O)C 240690a_200011215754_100015343762 [1,0,0,0,0,0|2,0,1]=4 302 B14R0.394 CCCCCCCCCCCNC(=O)C 527a_200011215754_100103153847 [1,0,0,0,0,0|2,0,1]=4 303 B14R0.394 CCCCCCCCCCNCC(=O)N 2230a_100000684558_100000747473 [1,0,0,0,0,0|2,0,1]=4 304 B14R0.394 CCCCCCCCCCNCC(=O)N 2230a_100000711301_100000210320 [1,0,0,0,0,0|2,0,1]=4 305 B14R0.394 CCCCCCCCCCNCC(=O)N 34a_100000684558_100000187820 [1,0,0,0,0,0|2,0,1]=4 306 B14R0.394 CCCCCCCCCCNCC(=O)O 269956a_100016091260_100000210320 [1,0,0,0,0,0|1,0,1]=3 307 B14R0.394 CCCCCCCCCCNCC(=O)[O-] 34a_100000684558_100020667443 [1,0,0,0,0,0|1,0,2]=4 308 B14R0.394 CCCCCCCCCCOCC(=O)C 34a_100000211253_100000210320 [1,0,0,0,0,0|2,0,1]=4 309 B14R0.394 CCCCCCCCCCOCC(=O)N 34a_100000210711_100000187820 [1,0,0,0,0,0|2,0,1]=4 310 B14R0.394 CCCCCCCCCCOCC(=O)N 7a_100000210711_100000187820 [1,0,0,0,0,0|2,0,1]=4 311 B14R0.394 CCCCCCCCCCOCC(=O)[O-] 34a_100000210711_100020667443 [1,0,0,0,0,0|1,0,2]=4 312 B14R0.394 CCCCCCCCCCSCC(=O)N 62a_100000747473_100000210320 [1,0,0,0,0,0|2,0,1]=4 313 B14R0.394 CCCCCCCCCCSCC(=O)[O-] 62a_100020667443_100000210320 [1,0,0,0,0,0|1,0,2]=4 314 B14R0.394 CCCCCCCCCNCCC(=O)N 2230a_100000212291_100000744528 [1,0,0,0,0,0|2,0,1]=4 315 B14R0.394 CCCCCCCCCNCCC(=O)N 34a_100000212291_100000731001 [1,0,0,0,0,0|2,0,1]=4 316 B14R0.394 CCCCCCCCCNOCC(=O)O 269956a_100000106656_100000210670 [1,0,0,0,0,0|2,0,1]=4 317 B14R0.394 CCCCCCCCCOCCC(=O)C 34a_100000759926_100011214924 [1,0,0,0,0,0|2,0,1]=4 318 B14R0.394 CCCCCCCCCOCCC(=O)C 7a_100000210712_100000053229 [1,0,0,0,0,0|2,0,1]=4 319 B14R0.394 CCCCCCCCCOCCC(=O)C 7a_100000759926_100000210328 [1,0,0,0,0,0|2,0,1]=4 320 B14R0.394 CCCCCCCCCOCCC(=O)N 34a_100000210712_100000731001 [1,0,0,0,0,0|2,0,1]=4 321 B14R0.394 CCCCCCCCCOCCC(=O)N 34a_100000757172_100011214924 [1,0,0,0,0,0|2,0,1]=4 322 B14R0.394 CCCCCCCCCOCCC(=O)N 7a_100000210712_100000744528 [1,0,0,0,0,0|2,0,1]=4 323 B14R0.394 CCCCCCCCCOCCC(=O)N 7a_100000757172_100000210328 [1,0,0,0,0,0|2,0,1]=4 324 B14R0.394 CCCCCCCCCSCCC(=O)C 62a_100000053229_100000210670 [1,0,0,0,0,0|2,0,1]=4 325 B14R0.394 CCCCCCCCCSCCC(=O)N 62a_100000744528_100000210670 [1,0,0,0,0,0|2,0,1]=4 326 B14R0.394 CCCCCCCCNCCCC(=O)C 34a_100000229939_100000685027 [1,0,0,0,0,0|2,0,0]=3 327 B14R0.394 CCCCCCCCNCCCC(=O)N 34a_100000229939_100102525003 [1,0,0,0,0,0|2,0,0]=3 328 B14R0.394 CCCCCCCCNCCCC(=O)N 34a_100000739312_100000210759 [1,0,0,0,0,0|2,0,0]=3 329 B14R0.394 CCCCCCCCNCCCC(C)O 2230a_100000229939_200000718107 [1,0,0,0,0,0|2,0,1]=4 330 B14R0.394 CCCCCCCCNCCCC(C)O 34a_100000229939_200000718107 [1,0,0,0,0,0|2,0,1]=4 331 B14R0.394 CCCCCCCCNCCCS(=O)C 2230a_200000753449_100000210759 [1,0,0,0,0,0|3,0,0]=4 332 B14R0.394 CCCCCCCCNCCNC(=O)C 2230a_100000209853_100000210759 [1,0,0,0,0,0|3,0,0]=4 333 B14R0.394 CCCCCCCCNCCNC(=O)C 2230a_100000229939_100000189650 [1,0,0,0,0,0|3,0,0]=4 334 B14R0.394 CCCCCCCCNCCNC(=O)N 2230a_100000229939_200000034859 [1,0,0,0,0,0|3,0,0]=4 335 B14R0.394 CCCCCCCCNCCNC(=O)N 34a_100020590234_100000210759 [1,0,0,0,0,0|3,0,0]=4 336 B14R0.394 CCCCCCCCNCCOC(=O)C 34a_100000229939_100009814007 [1,0,0,0,0,0|3,0,0]=4 337 B14R0.394 CCCCCCCCNCCOC(=O)N 34a_100000229939_200011214921 [1,0,0,0,0,0|3,0,0]=4 338 B14R0.394 CCCCCCCCOCCCC(=O)C 34a_100000210232_100000685027 [1,0,0,0,0,0|2,0,0]=3 339 B14R0.394 CCCCCCCCOCCCC(=O)C 34a_100000759063_100000210759 [1,0,0,0,0,0|2,0,0]=3 340 B14R0.394 CCCCCCCCOCCCC(=O)C 7a_100000210232_100011215641 [1,0,0,0,0,0|2,0,0]=3 341 B14R0.394 CCCCCCCCOCCCC(=O)C 7a_100000759063_100000210759 [1,0,0,0,0,0|2,0,0]=3 342 B14R0.394 CCCCCCCCOCCCC(=O)N 34a_100000210232_100102525003 [1,0,0,0,0,0|2,0,0]=3 343 B14R0.394 CCCCCCCCOCCCC(=O)N 7a_100000210232_100102525003 [1,0,0,0,0,0|2,0,0]=3 344 B14R0.394 CCCCCCCCOCCCC(C)O 34a_100000210232_200000718107 [1,0,0,0,0,0|2,0,1]=4 345 B14R0.394 CCCCCCCCOCCCC(C)O 7a_100000210232_200000718107 [1,0,0,0,0,0|2,0,1]=4 346 B14R0.394 CCCCCCCCOCCC[N+](=O)[O-] 34a_200000037920_100000210759 [1,0,0,0,0,0|2,0,1]=4 347 B14R0.394 CCCCCCCCOCCNC(=O)C 34a_100000158858_100000210759 [1,0,0,0,0,0|3,0,0]=4 348 B14R0.394 CCCCCCCCOCCNC(=O)C 7a_100000210232_100000189650 [1,0,0,0,0,0|3,0,0]=4 349 B14R0.394 CCCCCCCCOCCNC(=O)N 34a_100000181757_100000210759 [1,0,0,0,0,0|3,0,0]=4 350 B14R0.394 CCCCCCCCOCCNC(=O)N 7a_100000210232_200000034859 [1,0,0,0,0,0|3,0,0]=4 351 B14R0.394 CCCCCCCCOCCOC(=O)C 34a_100000210232_100009814007 [1,0,0,0,0,0|3,0,0]=4 352 B14R0.394 CCCCCCCCOCCOC(=O)C 7a_100000210232_100009814007 [1,0,0,0,0,0|3,0,0]=4 353 B14R0.394 CCCCCCCCOCCOC(=O)N 34a_100000210232_200011214921 [1,0,0,0,0,0|3,0,0]=4 354 B14R0.394 CCCCCCCCOCCOC(=O)N 7a_100000210232_200011214921 [1,0,0,0,0,0|3,0,0]=4 355 B14R0.394 CCCCCCCCOCCOC(=O)N 7a_100000766696_100000210759 [1,0,0,0,0,0|3,0,0]=4 356 B14R0.394 CCCCCCCCSCCCC(=O)C 62a_100000210759_100011215641 [1,0,0,0,0,0|2,0,0]=3 357 B14R0.394 CCCCCCCCSCCCC(=O)C 62a_100011215641_100000210317 [1,0,0,0,0,0|2,0,0]=3 358 B14R0.394 CCCCCCCCSCCCC(=O)N 62a_100000210759_100102525003 [1,0,0,0,0,0|2,0,0]=3 359 B14R0.394 CCCCCCCCSCCCC(=O)N 62a_100102525003_100000210317 [1,0,0,0,0,0|2,0,0]=3 360 B14R0.394 CCCCCCCCSCCCC(C)O 62a_100000210759_200000718107 [1,0,0,0,0,0|2,0,1]=4 361 B14R0.394 CCCCCCCCSCCCC(C)O 62a_200000718107_100000210317 [1,0,0,0,0,0|2,0,1]=4 362 B14R0.394 CCCCCCCCSCCNC(=O)C 62a_100000189650_100000210317 [1,0,0,0,0,0|3,0,0]=4 363 B14R0.394 CCCCCCCCSCCNC(=O)C 62a_100000210759_100000189650 [1,0,0,0,0,0|3,0,0]=4 364 B14R0.394 CCCCCCCCSCCNC(=O)N 62a_100000210759_200000034859 [1,0,0,0,0,0|3,0,0]=4 365 B14R0.394 CCCCCCCCSCCNC(=O)N 62a_200000034859_100000210317 [1,0,0,0,0,0|3,0,0]=4 366 B14R0.394 CCCCCCCCSCCOC(=O)C 62a_100000210759_100009814007 [1,0,0,0,0,0|3,0,0]=4 367 B14R0.394 CCCCCCCCSCCOC(=O)C 62a_100009814007_100000210317 [1,0,0,0,0,0|3,0,0]=4 368 B14R0.394 CCCCCCCCSCCOC(=O)N 62a_100000210759_200011214921 [1,0,0,0,0,0|3,0,0]=4 369 B14R0.394 CCCCCCCCSCCOC(=O)N 62a_200011214921_100000210317 [1,0,0,0,0,0|3,0,0]=4 370 B14R0.394 CCCCCCCNCCCCC(=O)N 34a_100000696515_100000210614 [1,0,0,0,0,0|2,0,1]=4 371 B14R0.394 CCCCCCCNCCOCC(=O)O 269956a_100000700818_100000210614 [1,0,0,0,0,0|2,0,1]=4 372 B14R0.394 CCCCCCCOCCCCC(=O)C 34a_100000210272_100009817362 [1,0,0,0,0,0|2,0,1]=4 373 B14R0.394 CCCCCCCOCCCCC(=O)C 7a_100000210272_100000735457 [1,0,0,0,0,0|2,0,1]=4 374 B14R0.394 CCCCCCCOCCCCC(=O)N 34a_100012022536_100000210614 [1,0,0,0,0,0|2,0,1]=4 375 B14R0.394 CCCCCCCOCCCCC(=O)N 7a_100012022536_100000210614 [1,0,0,0,0,0|2,0,1]=4 376 B14R0.394 CCCCCCCSCCCCC(=O)C 62a_100000210614_100000735457 [1,0,0,0,0,0|2,0,1]=4 377 B14R0.394 CCCCCCCSCCCCC(=O)C 62a_100000735457_100000210316 [1,0,0,0,0,0|2,0,1]=4 378 B14R0.394 CCCCCCNCCCCCC(=O)N 2230a_100000210581_100009817443 [1,0,0,0,0,0|2,0,1]=4 379 B14R0.394 CCCCCCOCCCCCC(=O)N 34a_100000123541_100000210314 [1,0,0,0,0,0|2,0,1]=4 380 B14R0.394 CCCCCCOCCCCCC(=O)N 34a_100000210259_100009817443 [1,0,0,0,0,0|2,0,1]=4 381 B14R0.394 CCCCCCOCCCCCC(=O)N 7a_100000123541_100000210314 [1,0,0,0,0,0|2,0,1]=4 382 B14R0.394 CCCCCCOCCCCCC(=O)N 7a_100000210259_100009817443 [1,0,0,0,0,0|2,0,1]=4 383 B14R0.394 CCCCCCOCCCCCC(=O)[O-] 7a_100102619762_100000210314 [1,0,0,0,0,0|1,0,2]=4 384 B14R0.394 CCCCCCSCCCCCC(=O)N 62a_100000210314_100009817443 [1,0,0,0,0,0|2,0,1]=4 385 B14R0.394 CCCCCCSCCCCCC(=O)N 62a_100009817443_100000210757 [1,0,0,0,0,0|2,0,1]=4 386 B14R0.394 CCCCCNCCOCCCC(=O)C 34a_100000224656_100000685027 [1,0,0,0,0,0|3,0,0]=4 387 B14R0.394 CCCCCNCCOCCCC(=O)N 34a_100000224656_100102525003 [1,0,0,0,0,0|3,0,0]=4 388 B14R0.394 CCCCCOCCOCCCC(=O)C 34a_100011215259_100000685027 [1,0,0,0,0,0|3,0,0]=4 389 B14R0.394 CCCCCOCCOCCCC(=O)C 7a_100011215259_100011215641 [1,0,0,0,0,0|3,0,0]=4 390 B14R0.394 CCCCCOCCOCCCC(=O)N 34a_100011215259_100102525003 [1,0,0,0,0,0|3,0,0]=4 391 B14R0.394 CCCCCOCCOCCCC(=O)N 7a_100011215259_100102525003 [1,0,0,0,0,0|3,0,0]=4 392 B14R0.394 CCCCOCCCNCCCC(=O)C 34a_200000211371_100000685027 [1,0,0,0,0,0|3,0,0]=4 393 B14R0.394 CCCCOCCCNCCCC(=O)N 34a_200000211371_100102525003 [1,0,0,0,0,0|3,0,0]=4 394 B14R0.394 CCCCOCCCOCCCC(=O)C 34a_200011215613_100000685027 [1,0,0,0,0,0|3,0,0]=4 395 B14R0.394 CCCCOCCCOCCCC(=O)C 7a_200011215613_100011215641 [1,0,0,0,0,0|3,0,0]=4 396 B14R0.394 CCCCOCCCOCCCC(=O)N 34a_200011215613_100102525003 [1,0,0,0,0,0|3,0,0]=4 397 B14R0.394 CCCCOCCCOCCCC(=O)N 7a_200011215613_100102525003 [1,0,0,0,0,0|3,0,0]=4 398 B14R0.394 CNCCCCCCCCCCC(=O)N 2230a_106832991635_200010167045 [1,0,0,0,0,0|2,0,1]=4 399 B14R0.394 CNCCCCCCCCCCC(=O)N 34a_100102657272_200010167045 [1,0,0,0,0,0|2,0,1]=4 400 B14R0.394 CNCCCCCCCCCCC(=O)N 7a_106832991635_200010167045 [1,0,0,0,0,0|2,0,1]=4 401 B14R0.394 COCCCCCCCCCCC(=O)N 34a_100138415774_200010167045 [1,0,0,0,0,0|2,0,1]=4 402 B14R0.394 COCCCCCCNCCCC(=O)N 34a_100000739312_100011998445 [1,0,0,0,0,0|3,0,0]=4 403 B14R0.394 COCCCCCCOCCCC(=O)C 34a_100000759063_100011998445 [1,0,0,0,0,0|3,0,0]=4 404 B14R0.394 COCCCCCCOCCCC(=O)C 34a_200012092642_100000685027 [1,0,0,0,0,0|3,0,0]=4 405 B14R0.394 COCCCCCCOCCCC(=O)C 7a_100000759063_100011998445 [1,0,0,0,0,0|3,0,0]=4 406 B14R0.394 COCCCCCCOCCCC(=O)C 7a_200012092642_100011215641 [1,0,0,0,0,0|3,0,0]=4 407 B14R0.394 COCCCCCCOCCCC(=O)N 34a_200012092642_100102525003 [1,0,0,0,0,0|3,0,0]=4 408 B14R0.394 COCCCCCCOCCCC(=O)N 7a_200012092642_100102525003 [1,0,0,0,0,0|3,0,0]=4 409 B14R0.394 COCCCCCCSCCCC(=O)C 62a_100011215641_100011998445 [1,0,0,0,0,0|3,0,0]=4 410 B14R0.394 COCCCCCCSCCCC(=O)C 62a_100011998445_100011215641 [1,0,0,0,0,0|3,0,0]=4 411 B14R0.394 COCCCCCCSCCCC(=O)N 62a_100011998445_100102525003 [1,0,0,0,0,0|3,0,0]=4 412 B14R0.394 COCCCCCCSCCCC(=O)N 62a_100102525003_100011998445 [1,0,0,0,0,0|3,0,0]=4 413 B14R0.394 CSCCCCCCCCCCC(=O)N 62a_200000210301_200010167045 [1,0,0,0,0,0|2,0,1]=4 414 B14R0.394 CSCCCCCCCCCCC(=O)N 62a_200010167045_200000210301 [1,0,0,0,0,0|2,0,1]=4 415 B14R0.394 NC(=O)CCCNCCCCCCCO 34a_100000739312_100000760002 [1,0,0,0,0,0|3,0,0]=4 416 B14R0.394 NC(=O)CCCNCCCCCCCO 34a_100011996573_100102525003 [1,0,0,0,0,0|3,0,0]=4 417 B14R0.394 NC(=O)CCCOCCCCCCCBr 34a_100000760002_100102525003 [1,0,0,0,0,0|3,0,0]=4 418 B14R0.394 NC(=O)CCCOCCCCCCCBr 7a_100000760002_100102525003 [1,0,0,0,0,0|3,0,0]=4 419 B14R0.394 NC(=O)CCCSCCCCCCCO 62a_100000760002_100102525003 [1,0,0,0,0,0|3,0,0]=4 420 B14R0.394 NC(=O)CCCSCCCCCCCO 62a_100102525003_100000760002 [1,0,0,0,0,0|3,0,0]=4 421 B14R0.394 NCCCCCCCOCCCC(=O)N 34a_100011996573_100102525003 [1,0,0,0,0,0|3,0,0]=4 422 B14R0.394 O=C(O)CNCCCCCCCCCO 269956a_100016091260_100009813782 [1,0,0,0,0,0|2,0,1]=4 423 B14R0.394 [13CH3]SCCCCCCCCCCC(=O)N 62a_200010167045_200025704644 [1,0,0,0,0,0|2,0,1]=4 424 B14R0.394 [13CH3]SCCCCCCCCCCC(=O)N 62a_200025704644_200010167045 [1,0,0,0,0,0|2,0,1]=4 425 B16R0.114 CCCCCCCC(C)NCCCCC(=O)N 270004a_100000696515_100000210596 [0,1,0,0,0,0|2,0,1]=4 426 B16R0.114 CCCCCCCC(C)NCCCCC(=O)N 34a_100000696515_200011218727 [0,1,0,0,0,0|2,0,1]=4 427 B16R0.114 CCCCCCCC(C)NCCOCC(=O)O 269956a_100000700818_200011218727 [0,1,0,0,0,0|2,0,1]=4 428 B16R0.114 CCCCCCCC(C)OCCCCC(=O)C 34a_200011215852_100009817362 [0,1,0,0,0,0|2,0,1]=4 429 B16R0.114 CCCCCCCC(C)OCCCCC(=O)C 7a_200011215852_100000735457 [0,1,0,0,0,0|2,0,1]=4 430 B16R0.114 CCCCCCCC(C)OCCCCC(=O)N 34a_100012022536_200011218727 [0,1,0,0,0,0|2,0,1]=4 431 B16R0.114 CCCCCCCC(C)OCCCCC(=O)N 7a_100012022536_200011218727 [0,1,0,0,0,0|2,0,1]=4 432 B16R0.131 CCCCC(C)CCCCOCCCC(=O)C 34a_200011021034_100000685027 [0,1,0,0,0,0|2,0,1]=4 433 B16R0.131 CCCCC(C)CCCCOCCCC(=O)C 7a_200011021034_100011215641 [0,1,0,0,0,0|2,0,1]=4 434 B16R0.131 CCCCC(C)CCCCOCCCC(=O)N 34a_200011021034_100102525003 [0,1,0,0,0,0|2,0,1]=4 435 B16R0.131 CCCCC(C)CCCCOCCCC(=O)N 7a_200011021034_100102525003 [0,1,0,0,0,0|2,0,1]=4 436 B16R0.165 CCC(C)CCCCCOCCCCC(=O)C 7a_200000035636_100000735457 [0,1,0,0,0,0|2,0,1]=4 437 B16R0.177 CCCCCCC(C)CCOCCCC(=O)C 34a_200011024964_100000685027 [0,1,0,0,0,0|2,0,1]=4 438 B16R0.177 CCCCCCC(C)CCOCCCC(=O)C 7a_200011024964_100011215641 [0,1,0,0,0,0|2,0,1]=4 439 B16R0.177 CCCCCCC(C)CCOCCCC(=O)N 34a_200011024964_100102525003 [0,1,0,0,0,0|2,0,1]=4 440 B16R0.177 CCCCCCC(C)CCOCCCC(=O)N 7a_200011024964_100102525003 [0,1,0,0,0,0|2,0,1]=4 441 B16R0.221 C#CC(=O)CCCCCCCCCCCCC 1458a_100000211873_100000210684 [0,1,0,0,0,0|1,0,2]=4 442 B16R0.221 C=C(C#N)COC/C=C/CCCCCCCC 34a_200020667288_100000694840 [0,1,0,0,0,0|3,0,0]=4 443 B16R0.221 C=CC(O)COC/C=C/CCCCCCCC 34a_200020667288_100000730141 [0,1,0,0,0,0|2,0,1]=4 444 B16R0.221 C=CC(O)COC/C=C/CCCCCCCC 7a_200020667288_100000730141 [0,1,0,0,0,0|2,0,1]=4 445 B16R0.221 CCCCCC/C=C/C=C/COCC(=O)OC 34a_200028454808_100000747449 [0,1,0,0,0,0|1,0,2]=4 446 B16R0.221 CCCCCC/C=C/C=C/COCC(=O)OC 7a_200028454808_100000747449 [0,1,0,0,0,0|1,0,2]=4 447 B16R0.221 CCCCCCCC/C=C/COCC(=O)CC 7a_200020667288_100000747405 [0,1,0,0,0,0|2,0,0]=3 448 B16R0.221 CCCCCCCC/C=C/COCC(=O)NC 34a_200020667288_100000183359 [0,1,0,0,0,0|2,0,0]=3 449 B16R0.221 CCCCCCCC/C=C/COCC(=O)NC 7a_200020667288_100000183359 [0,1,0,0,0,0|2,0,0]=3 450 B16R0.221 CCCCCCCC/C=C/COCC(=O)OC 34a_200020667288_100000747449 [0,1,0,0,0,0|1,0,0]=2 451 B16R0.221 CCCCCCCC/C=C/COCC(=O)OC 7a_200020667288_100000747449 [0,1,0,0,0,0|1,0,0]=2 452 B16R0.221 CCCCCCCC/C=C/COCC(O)CC 34a_200020667288_100011218378 [0,1,0,0,0,0|2,0,1]=4 453 B16R0.221 CCCCCCCC/C=C/COCC(O)CC 7a_200020667288_100011218378 [0,1,0,0,0,0|2,0,1]=4 454 B16R0.221 CCCCCCCC/C=C/COCC(O)CO 34a_200020667288_100011219619 [0,1,0,0,0,0|1,0,2]=4 455 B16R0.221 CCCCCCCC/C=C/COCC(O)CO 7a_200020667288_100011219619 [0,1,0,0,0,0|1,0,2]=4 456 B16R0.221 CCCCCCCC/C=C/COC[C@@H](C)CO 34a_200020667288_100000059175 [0,1,0,0,0,0|2,0,1]=4 457 B16R0.221 CCCCCCCC/C=C/COC[C@@H](C)CO 7a_200020667288_100000059175 [0,1,0,0,0,0|2,0,1]=4 458 B16R0.221 CCCCCCCC/C=C/COC[C@@H](O)CF 34a_200020667288_100015614560 [0,1,0,0,0,0|2,0,1]=4 459 B16R0.221 CCCCCCCC/C=C/COC[C@@H](O)CF 7a_200020667288_100015614560 [0,1,0,0,0,0|2,0,1]=4 460 B16R0.221 CCCCCCCC/C=C/COC[C@@H](O)CO 34a_200020667288_100009815848 [0,1,0,0,0,0|1,0,2]=4 461 B16R0.221 CCCCCCCC/C=C/COC[C@@H](O)CO 7a_200020667288_100009815848 [0,1,0,0,0,0|1,0,2]=4 462 B16R0.221 CCCCCCCCCCCCCC(=O)CO 1458a_100000210174_100000210684 [0,1,0,0,0,0|0,0,2]=3 463 B16R0.221 CCCCCCCCCCCCCC(=O)NC 11a_106832991635_100000756256 [0,1,0,0,0,0|1,0,2]=4 464 B16R0.221 CCCCCCCCCCCCCC(=O)NC 1626a_100102657272_100000756256 [0,1,0,0,0,0|1,0,2]=4 465 B16R0.221 CCCCCCCCCCCCCC(=O)NC 240690a_100102657272_100000756256 [0,1,0,0,0,0|1,0,2]=4 466 B16R0.221 CCCCCCCCCCCCNC(=O)CO 240690a_100000210451_100000210174 [0,1,0,0,0,0|1,0,2]=4 467 B16R0.221 CCCCCCCCCCCCNC(=O)CO 527a_100000210451_100000210174 [0,1,0,0,0,0|1,0,2]=4 468 B16R0.221 CCCCCCCCCCCNCC(=O)OC 2230a_200011215754_100000747449 [0,1,0,0,0,0|1,0,2]=4 469 B16R0.221 CCCCCCCCCCCNCC(=O)OC 34a_200011215754_100000747449 [0,1,0,0,0,0|1,0,2]=4 470 B16R0.221 CCCCCCCCCCCOCC(=O)OC 34a_100000210809_100000747449 [0,1,0,0,0,0|1,0,2]=4 471 B16R0.221 CCCCCCCCCCCOCC(=O)OC 7a_100000210809_100000747449 [0,1,0,0,0,0|1,0,2]=4 472 B16R0.221 CCCCCCCCCCCSCC(=O)OC 62a_100000747449_100011215454 [0,1,0,0,0,0|1,0,2]=4 473 B16R0.221 CCCCCCCCCCNCCC(=O)OC 2230a_100000684558_100000204255 [0,1,0,0,0,0|1,0,2]=4 474 B16R0.221 CCCCCCCCCCNCCC(=O)OC 34a_100000684558_100000742370 [0,1,0,0,0,0|1,0,2]=4 475 B16R0.221 CCCCCCCCCCOCCC(=O)OC 34a_100000210711_100000742370 [0,1,0,0,0,0|1,0,2]=4 476 B16R0.221 CCCCCCCCCCOCCC(=O)OC 7a_100000210711_100000204255 [0,1,0,0,0,0|1,0,2]=4 477 B16R0.221 CCCCCCCCCCSCCC(=O)OC 62a_100000204255_100000210320 [0,1,0,0,0,0|1,0,2]=4 478 B16R0.221 CCCCCCCCCNCCCC(=O)NC 2230a_100000212291_100000741757 [0,1,0,0,0,0|2,0,1]=4 479 B16R0.221 CCCCCCCCCNCCCC(=O)NC 2230a_100000740002_100011214924 [0,1,0,0,0,0|2,0,1]=4 480 B16R0.221 CCCCCCCCCNCCCC(=O)NC 34a_100000212291_100000741757 [0,1,0,0,0,0|2,0,1]=4 481 B16R0.221 CCCCCCCCCNCCCC(=O)NC 34a_100000740002_100011214924 [0,1,0,0,0,0|2,0,1]=4 482 B16R0.221 CCCCCCCCCNCCCC(=O)OC 2230a_100000212291_100011218270 [0,1,0,0,0,0|1,0,1]=3 483 B16R0.221 CCCCCCCCCNCCCC(=O)OC 34a_100000212291_100000742333 [0,1,0,0,0,0|1,0,1]=3 484 B16R0.221 CCCCCCCCCOCCCC(=O)NC 34a_100000210712_100000741757 [0,1,0,0,0,0|2,0,1]=4 485 B16R0.221 CCCCCCCCCOCCCC(=O)NC 7a_100000210712_100000741757 [0,1,0,0,0,0|2,0,1]=4 486 B16R0.221 CCCCCCCCCOCCCC(=O)NN 34a_100000211488_100011214924 [0,1,0,0,0,0|2,0,1]=4 487 B16R0.221 CCCCCCCCCOCCCC(=O)OC 34a_100000210712_100000742333 [0,1,0,0,0,0|1,0,1]=3 488 B16R0.221 CCCCCCCCCOCCCC(=O)OC 7a_100000210712_100011218270 [0,1,0,0,0,0|1,0,1]=3 489 B16R0.221 CCCCCCCCCOCCNC(=O)OC 34a_100000757965_100011214924 [0,1,0,0,0,0|2,0,1]=4 490 B16R0.221 CCCCCCCCCOCCOC(=O)OC 34a_100010262106_100011214924 [0,1,0,0,0,0|2,0,1]=4 491 B16R0.221 CCCCCCCCCSCCCC(=O)NC 62a_100000741757_100000210670 [0,1,0,0,0,0|2,0,1]=4 492 B16R0.221 CCCCCCCCCSCCCC(=O)OC 62a_100011218270_100000210670 [0,1,0,0,0,0|1,0,1]=3 493 B16R0.221 CCCCCCCCNCCCCC(=O)OC 2230a_100000229939_100000204269 [0,1,0,0,0,0|1,0,1]=3 494 B16R0.221 CCCCCCCCNCCCCC(=O)OC 34a_100000229939_100000204269 [0,1,0,0,0,0|1,0,1]=3 495 B16R0.221 CCCCCCCCNCCOCC(=O)OC 2230a_100000229939_100000090808 [0,1,0,0,0,0|2,0,1]=4 496 B16R0.221 CCCCCCCCNCCOCC(=O)OC 34a_100000229939_100000090808 [0,1,0,0,0,0|2,0,1]=4 497 B16R0.221 CCCCCCCCOCCCCC(=O)OC 34a_100000059025_100000210759 [0,1,0,0,0,0|1,0,1]=3 498 B16R0.221 CCCCCCCCOCCCCC(=O)OC 34a_100000210232_100000204269 [0,1,0,0,0,0|1,0,1]=3 499 B16R0.221 CCCCCCCCOCCCCC(=O)OC 7a_100000059025_100000210759 [0,1,0,0,0,0|1,0,1]=3 500 B16R0.221 CCCCCCCCOCCCCC(=O)OC 7a_100000210232_100000204269 [0,1,0,0,0,0|1,0,1]=3 501 B16R0.221 CCCCCCCCOCCOCC(=O)OC 34a_100000210232_100000090808 [0,1,0,0,0,0|2,0,1]=4 502 B16R0.221 CCCCCCCCOCCOCC(=O)OC 7a_100000210232_100000090808 [0,1,0,0,0,0|2,0,1]=4 503 B16R0.221 CCCCCCCCSCCCCC(=O)OC 62a_100000204269_100000210317 [0,1,0,0,0,0|1,0,1]=3 504 B16R0.221 CCCCCCCCSCCCCC(=O)OC 62a_100000210759_100000204269 [0,1,0,0,0,0|1,0,1]=3 505 B16R0.221 CCCCCCCCSCCOCC(=O)OC 62a_100000090808_100000210317 [0,1,0,0,0,0|2,0,1]=4 506 B16R0.221 CCCCCCCCSCCOCC(=O)OC 62a_100000210759_100000090808 [0,1,0,0,0,0|2,0,1]=4 507 B16R0.221 CCCCCCCNCCCCCC(=O)OC 2230a_100000229938_100009816466 [0,1,0,0,0,0|1,0,2]=4 508 B16R0.221 CCCCCCCOCCCCCC(=O)OC 34a_100000074720_100000210614 [0,1,0,0,0,0|1,0,2]=4 509 B16R0.221 CCCCCCCOCCCCCC(=O)OC 34a_100000210272_100009816466 [0,1,0,0,0,0|1,0,2]=4 510 B16R0.221 CCCCCCCOCCCCCC(=O)OC 7a_100000074720_100000210614 [0,1,0,0,0,0|1,0,2]=4 511 B16R0.221 CCCCCCCOCCCCCC(=O)OC 7a_100000210272_100009816466 [0,1,0,0,0,0|1,0,2]=4 512 B16R0.221 CCCCCCCSCCCCCC(=O)OC 62a_100000210614_100009816466 [0,1,0,0,0,0|1,0,2]=4 513 B16R0.221 CCCCCCCSCCCCCC(=O)OC 62a_100009816466_100000210316 [0,1,0,0,0,0|1,0,2]=4 514 B16R0.221 CCCCCCNCCCCCCC(=O)OC 2230a_100000210581_100009815986 [0,1,0,0,0,0|1,0,2]=4 515 B16R0.221 CCCCCCOCCCCCCC(=O)OC 34a_100000210259_100009815986 [0,1,0,0,0,0|1,0,2]=4 516 B16R0.221 CCCCCCOCCCCCCC(=O)OC 34a_100009863599_100000210314 [0,1,0,0,0,0|1,0,2]=4 517 B16R0.221 CCCCCCOCCCCCCC(=O)OC 7a_100000210259_100009815986 [0,1,0,0,0,0|1,0,2]=4 518 B16R0.221 CCCCCCOCCCCCCC(=O)OC 7a_100009863599_100000210314 [0,1,0,0,0,0|1,0,2]=4 519 B16R0.221 CCCCCCOCCOCCCC(=O)OC 34a_100000691444_100000742333 [0,1,0,0,0,0|2,0,1]=4 520 B16R0.221 CCCCCCOCCOCCCC(=O)OC 7a_100000691444_100011218270 [0,1,0,0,0,0|2,0,1]=4 521 B16R0.221 CCCCCCSCCCCCCC(=O)OC 62a_100000210314_100009815986 [0,1,0,0,0,0|1,0,2]=4 522 B16R0.221 CCCCCCSCCCCCCC(=O)OC 62a_100009815986_100000210757 [0,1,0,0,0,0|1,0,2]=4 523 B16R0.221 CCCCCNCCCCCCCC(=O)OC 2230a_100000209983_100010004213 [0,1,0,0,0,0|1,0,2]=4 524 B16R0.221 CCCCCNCCOCCCCC(=O)OC 34a_100000224656_100000204269 [0,1,0,0,0,0|2,0,1]=4 525 B16R0.221 CCCCCOCCCCCCCC(=O)OC 34a_100000210253_100010004213 [0,1,0,0,0,0|1,0,2]=4 526 B16R0.221 CCCCCOCCCCCCCC(=O)OC 34a_100011022521_100000718602 [0,1,0,0,0,0|1,0,2]=4 527 B16R0.221 CCCCCOCCCCCCCC(=O)OC 7a_100000210253_100010004213 [0,1,0,0,0,0|1,0,2]=4 528 B16R0.221 CCCCCOCCCCCCCC(=O)OC 7a_100011022521_100000210326 [0,1,0,0,0,0|1,0,2]=4 529 B16R0.221 CCCCCOCCOCCCCC(=O)OC 34a_100011215259_100000204269 [0,1,0,0,0,0|2,0,1]=4 530 B16R0.221 CCCCCOCCOCCCCC(=O)OC 7a_100011215259_100000204269 [0,1,0,0,0,0|2,0,1]=4 531 B16R0.221 CCCCCSCCCCCCCC(=O)OC 62a_100000210326_100010004213 [0,1,0,0,0,0|1,0,2]=4 532 B16R0.221 CCCCCSCCCCCCCC(=O)OC 62a_100010004213_100000210326 [0,1,0,0,0,0|1,0,2]=4 533 B16R0.221 CCCCNCCCCCCCCC(=O)OC 2230a_100000102301_100010282707 [0,1,0,0,0,0|1,0,2]=4 534 B16R0.221 CCCCNCCCCCCCCC(=O)OC 7a_106832991798_100010282707 [0,1,0,0,0,0|1,0,2]=4 535 B16R0.221 CCCCNCCCCOCCCC(=O)OC 34a_200011216965_100000742333 [0,1,0,0,0,0|2,0,1]=4 536 B16R0.221 CCCCOCCCCCCCCC(=O)OC 34a_100000035544_100000210210 [0,1,0,0,0,0|1,0,2]=4 537 B16R0.221 CCCCOCCCCCCCCC(=O)OC 34a_100000210227_100010282707 [0,1,0,0,0,0|1,0,2]=4 538 B16R0.221 CCCCOCCCCCCCCC(=O)OC 7a_100000035544_100000210211 [0,1,0,0,0,0|1,0,2]=4 539 B16R0.221 CCCCOCCCCCCCCC(=O)OC 7a_100000210227_100010282707 [0,1,0,0,0,0|1,0,2]=4 540 B16R0.221 CCCCOCCCCOCCCC(=O)OC 34a_200000760531_100000742333 [0,1,0,0,0,0|2,0,1]=4 541 B16R0.221 CCCCOCCCCOCCCC(=O)OC 7a_200000760531_100011218270 [0,1,0,0,0,0|2,0,1]=4 542 B16R0.221 CCCCOCCCNCCCCC(=O)OC 2230a_200000211371_100000204269 [0,1,0,0,0,0|2,0,1]=4 543 B16R0.221 CCCCOCCCNCCCCC(=O)OC 34a_200000211371_100000204269 [0,1,0,0,0,0|2,0,1]=4 544 B16R0.221 CCCCOCCCOCCCCC(=O)OC 34a_200011215613_100000204269 [0,1,0,0,0,0|2,0,1]=4 545 B16R0.221 CCCCOCCCOCCCCC(=O)OC 7a_200011215613_100000204269 [0,1,0,0,0,0|2,0,1]=4 546 B16R0.221 CCCCSCCCCCCCCC(=O)OC 62a_100000210211_100010282707 [0,1,0,0,0,0|1,0,2]=4 547 B16R0.221 CCCCSCCCCCCCCC(=O)OC 62a_100010282707_100000210210 [0,1,0,0,0,0|1,0,2]=4 548 B16R0.221 CCCOCCCCCCCCCC(=O)OC 34a_100000210258_100009813843 [0,1,0,0,0,0|1,0,2]=4 549 B16R0.221 CCCSCCCCCCCCCC(=O)OC 62a_100000210303_100009813843 [0,1,0,0,0,0|1,0,2]=4 550 B16R0.221 CCNCCCCCCCCCCC(=O)OC 2230a_100015525214_100009812566 [0,1,0,0,0,0|1,0,2]=4 551 B16R0.221 CCOCCCCCCCCCCC(=O)OC 34a_100011003013_100000210202 [0,1,0,0,0,0|1,0,2]=4 552 B16R0.221 CCOCCCCCCCCCCC(=O)OC 34a_100121572206_100009812566 [0,1,0,0,0,0|1,0,2]=4 553 B16R0.221 CCOCCCCCCCCCCC(=O)OC 7a_100011003013_100000210202 [0,1,0,0,0,0|1,0,2]=4 554 B16R0.221 CCSCCCCCCCCCCC(=O)OC 62a_100000210202_100009812566 [0,1,0,0,0,0|1,0,2]=4 555 B16R0.221 CNCCCCCCCCCCCC(=O)OC 2230a_106832991635_100010983606 [0,1,0,0,0,0|1,0,2]=4 556 B16R0.221 CNCCCCCCCCCCCC(=O)OC 34a_100102657272_100010983606 [0,1,0,0,0,0|1,0,2]=4 557 B16R0.221 CNCCCCCCCCCCCC(=O)OC 7a_106832991635_100010983606 [0,1,0,0,0,0|1,0,2]=4 558 B16R0.221 COC(=O)CCCCCCCCCCCSC 62a_200000210301_100010983606 [0,1,0,0,0,0|1,0,2]=4 559 B16R0.221 COC(=O)CCCCCCCCCCCS[13CH3] 62a_200025704644_100010983606 [0,1,0,0,0,0|1,0,2]=4 560 B16R0.221 COC(=O)CCCCNCCCCCCCO 2230a_100011996573_100000204269 [0,1,0,0,0,0|2,0,1]=4 561 B16R0.221 COC(=O)CCCCNCCCCCCCO 34a_100011996573_100000204269 [0,1,0,0,0,0|2,0,1]=4 562 B16R0.221 COC(=O)CCCCOCCCCCCCBr 34a_100000760002_100000204269 [0,1,0,0,0,0|2,0,1]=4 563 B16R0.221 COC(=O)CCCCOCCCCCCCBr 7a_100000760002_100000204269 [0,1,0,0,0,0|2,0,1]=4 564 B16R0.221 COC(=O)CCCCOCCCCCCCN 34a_100011996573_100000204269 [0,1,0,0,0,0|2,0,1]=4 565 B16R0.221 COC(=O)CCCCOCCCCCCCO 34a_100000059025_100000760002 [0,1,0,0,0,0|2,0,1]=4 566 B16R0.221 COC(=O)CCCCOCCCCCCCO 7a_100000059025_100000760002 [0,1,0,0,0,0|2,0,1]=4 567 B16R0.221 COC(=O)CCCCSCCCCCCCO 62a_100000204269_100000760002 [0,1,0,0,0,0|2,0,1]=4 568 B16R0.221 COC(=O)CCCCSCCCCCCCO 62a_100000760002_100000204269 [0,1,0,0,0,0|2,0,1]=4 569 B16R0.221 COC(=O)CCCNCCCCCCCCO 2230a_102515433106_100011218270 [0,1,0,0,0,0|2,0,1]=4 570 B16R0.221 COC(=O)CCCNCCCCCCCCO 34a_102515433106_100000742333 [0,1,0,0,0,0|2,0,1]=4 571 B16R0.221 COC(=O)CCCOCCCCCCCCBr 34a_100009813846_100000742333 [0,1,0,0,0,0|2,0,1]=4 572 B16R0.221 COC(=O)CCCOCCCCCCCCBr 7a_100009813846_100011218270 [0,1,0,0,0,0|2,0,1]=4 573 B16R0.221 COC(=O)CCCOCCCCCCCCCl 34a_100000033203_100000742333 [0,1,0,0,0,0|2,0,1]=4 574 B16R0.221 COC(=O)CCCOCCCCCCCCCl 7a_100000033203_100011218270 [0,1,0,0,0,0|2,0,1]=4 575 B16R0.221 COC(=O)CCCOCCCCCCCCN 34a_102515433106_100000742333 [0,1,0,0,0,0|2,0,1]=4 576 B16R0.221 COC(=O)CCCSCCCCCCCCO 62a_100000033203_100011218270 [0,1,0,0,0,0|2,0,1]=4 577 B16R0.221 COC(=O)CCCSCCCCCCCCO 62a_100011218270_100000033203 [0,1,0,0,0,0|2,0,1]=4 578 B16R0.221 COCCCCCCCCCCCC(=O)OC 34a_100138415774_100010983606 [0,1,0,0,0,0|1,0,2]=4 579 B16R0.221 COCCCCCCOCCCCC(=O)OC 34a_100000059025_100011998445 [0,1,0,0,0,0|2,0,1]=4 580 B16R0.221 COCCCCCCOCCCCC(=O)OC 34a_200012092642_100000204269 [0,1,0,0,0,0|2,0,1]=4 581 B16R0.221 COCCCCCCOCCCCC(=O)OC 7a_100000059025_100011998445 [0,1,0,0,0,0|2,0,1]=4 582 B16R0.221 COCCCCCCOCCCCC(=O)OC 7a_200012092642_100000204269 [0,1,0,0,0,0|2,0,1]=4 583 B16R0.221 COCCCCCCSCCCCC(=O)OC 62a_100000204269_100011998445 [0,1,0,0,0,0|2,0,1]=4 584 B16R0.221 COCCCCCCSCCCCC(=O)OC 62a_100011998445_100000204269 [0,1,0,0,0,0|2,0,1]=4 585 B16R0.221 O=C(CO)CCCCCCCCCCCCO 1458a_100000210174_100009813331 [0,1,0,0,0,0|1,0,2]=4 586 B16R0.224 CCCCCCCC/C=C/COC(C)C(=O)C 7a_200020667288_100000179758 [0,1,0,0,0,0|2,0,0]=3 587 B16R0.224 CCCCCCCC/C=C/COC(C)C(=O)N 34a_200020667288_100000702099 [0,1,0,0,0,0|2,0,0]=3 588 B16R0.224 CCCCCCCC/C=C/COC(C)C(=O)N 7a_200020667288_100000702099 [0,1,0,0,0,0|2,0,0]=3 589 B16R0.224 CCCCCCCC/C=C/COC(F)C(=O)N 34a_200020667288_100009813875 [0,1,0,0,0,0|2,0,0]=3 590 B16R0.224 CCCCCCCC/C=C/COC(F)C(=O)N 7a_200020667288_100009813875 [0,1,0,0,0,0|2,0,0]=3 591 B16R0.224 CCCCCCCC/C=C/COC(F)C(=O)[O-] 34a_200020667288_100020610796 [0,1,0,0,0,0|1,0,1]=3 592 B16R0.224 CCCCCCCCCCCN[C@@H](C)C(=O)O 269956a_100000743915_100011215454 [0,1,0,0,0,0|1,0,2]=4 593 B16R0.224 CCCCCCCCCCNCC(C)C(=O)O 269956a_100000749485_100000210320 [0,1,0,0,0,0|1,0,2]=4 594 B16R0.224 CCCCCCCCCCNCC(F)C(=O)O 269956a_100000084737_100000210320 [0,1,0,0,0,0|1,0,2]=4 595 B16R0.274 CC(=O)CCCCCCCCCCCCCO 1458a_100000070787_100009812470 [0,1,0,0,0,0|1,0,2]=4 596 B16R0.274 CC(=O)CCCCNCCCCCCCCO 34a_102515433106_100009817362 [0,1,0,0,0,0|2,0,1]=4 597 B16R0.274 CC(=O)CCCCOCCCCCCCCBr 34a_100009813846_100009817362 [0,1,0,0,0,0|2,0,1]=4 598 B16R0.274 CC(=O)CCCCOCCCCCCCCBr 7a_100009813846_100000735457 [0,1,0,0,0,0|2,0,1]=4 599 B16R0.274 CC(=O)CCCCOCCCCCCCCCl 34a_100000033203_100009817362 [0,1,0,0,0,0|2,0,1]=4 600 B16R0.274 CC(=O)CCCCOCCCCCCCCCl 7a_100000033203_100000735457 [0,1,0,0,0,0|2,0,1]=4 601 B16R0.274 CC(=O)CCCCOCCCCCCCCN 34a_102515433106_100009817362 [0,1,0,0,0,0|2,0,1]=4 602 B16R0.274 CC(=O)CCCCSCCCCCCCCO 62a_100000033203_100000735457 [0,1,0,0,0,0|2,0,1]=4 603 B16R0.274 CC(=O)CCCCSCCCCCCCCO 62a_100000735457_100000033203 [0,1,0,0,0,0|2,0,1]=4 604 B16R0.274 CC(=O)CCCNCCCCCCCCCO 34a_100000078944_100000685027 [0,1,0,0,0,0|2,0,1]=4 605 B16R0.274 CC(=O)CCCOCCCCCCCCCBr 34a_100009813782_100000685027 [0,1,0,0,0,0|2,0,1]=4 606 B16R0.274 CC(=O)CCCOCCCCCCCCCBr 7a_100009813782_100011215641 [0,1,0,0,0,0|2,0,1]=4 607 B16R0.274 CC(=O)CCCOCCCCCCCCCCl 34a_100009868337_100000685027 [0,1,0,0,0,0|2,0,1]=4 608 B16R0.274 CC(=O)CCCOCCCCCCCCCCl 7a_100009868337_100011215641 [0,1,0,0,0,0|2,0,1]=4 609 B16R0.274 CC(=O)CCCOCCCCCCCCCN 34a_100000078944_100000685027 [0,1,0,0,0,0|2,0,1]=4 610 B16R0.274 CC(=O)CCCOCCCCCCCCCO 34a_100000759063_100009813782 [0,1,0,0,0,0|2,0,1]=4 611 B16R0.274 CC(=O)CCCOCCCCCCCCCO 7a_100000759063_100009813782 [0,1,0,0,0,0|2,0,1]=4 612 B16R0.274 CC(=O)CCCSCCCCCCCCCO 62a_100009813782_100011215641 [0,1,0,0,0,0|2,0,1]=4 613 B16R0.274 CC(=O)CCCSCCCCCCCCCO 62a_100011215641_100009813782 [0,1,0,0,0,0|2,0,1]=4 614 B16R0.274 CCCCCC/C=C/C=C/COCCC(=O)C 7a_200028454808_100000053229 [0,1,0,0,0,0|1,0,2]=4 615 B16R0.274 CCCCCC/C=C/C=C/COCCC(=O)N 34a_200028454808_100000731001 [0,1,0,0,0,0|1,0,2]=4 616 B16R0.274 CCCCCC/C=C/C=C/COCCC(=O)N 7a_200028454808_100000744528 [0,1,0,0,0,0|1,0,2]=4 617 B16R0.274 CCCCCCC/C=C/C=C/COCC(=O)N 34a_200025756345_100000187820 [0,1,0,0,0,0|1,0,2]=4 618 B16R0.274 CCCCCCC/C=C/C=C/COCC(=O)N 7a_200025756345_100000187820 [0,1,0,0,0,0|1,0,2]=4 619 B16R0.274 CCCCCCC/C=C/C=C/COCC(=O)[O-] 34a_200025756345_100020667443 [0,1,0,0,0,0|0,0,3]=4 620 B16R0.274 CCCCCCCC/C=C/COCCC(=O)C 7a_200020667288_100000053229 [0,1,0,0,0,0|1,0,0]=2 621 B16R0.274 CCCCCCCC/C=C/COCCC(=O)N 34a_200020667288_100000731001 [0,1,0,0,0,0|1,0,0]=2 622 B16R0.274 CCCCCCCC/C=C/COCCC(=O)N 7a_200020667288_100000744528 [0,1,0,0,0,0|1,0,0]=2 623 B16R0.274 CCCCCCCC/C=C/COCCC(C)O 34a_200020667288_100012276601 [0,1,0,0,0,0|1,0,1]=3 624 B16R0.274 CCCCCCCC/C=C/COCCC(C)O 7a_200020667288_100012276601 [0,1,0,0,0,0|1,0,1]=3 625 B16R0.274 CCCCCCCC/C=C/COCCN(C)C 7a_200020667288_100000755713 [0,1,0,0,0,0|3,0,0]=4 626 B16R0.274 CCCCCCCC/C=C/COCOC(=O)C 34a_200020667288_100009813279 [0,1,0,0,0,0|2,0,0]=3 627 B16R0.274 CCCCCCCCC/C=C/COCC(=O)N 34a_100015232335_100000187820 [0,1,0,0,0,0|2,0,0]=3 628 B16R0.274 CCCCCCCCC/C=C/COCC(=O)N 7a_100015232335_100000187820 [0,1,0,0,0,0|2,0,0]=3 629 B16R0.274 CCCCCCCCC/C=C/COCC(=O)[O-] 34a_100015232335_100020667443 [0,1,0,0,0,0|1,0,1]=3 630 B16R0.274 CCCCCCCCC/C=C/COCC(C)O 34a_100015232335_100011218427 [0,1,0,0,0,0|2,0,1]=4 631 B16R0.274 CCCCCCCCC/C=C/COCC(C)O 7a_100015232335_100011218427 [0,1,0,0,0,0|2,0,1]=4 632 B16R0.274 CCCCCCCCC/C=C/COC[C@@H](C)O 34a_100015232335_100009817552 [0,1,0,0,0,0|2,0,1]=4 633 B16R0.274 CCCCCCCCC/C=C/COC[C@@H](C)O 7a_100015232335_100009817552 [0,1,0,0,0,0|2,0,1]=4 634 B16R0.274 CCCCCCCCC/C=C/COC[N+](=O)[O-] 34a_100015232335_100000761209 [0,1,0,0,0,0|2,0,1]=4 635 B16R0.274 CCCCCCCCCCCCCNC(=O)C 11a_100011215765_100015343762 [0,1,0,0,0,0|1,0,2]=4 636 B16R0.274 CCCCCCCCCCCCCNC(=O)C 1626a_100011215765_100015343762 [0,1,0,0,0,0|1,0,2]=4 637 B16R0.274 CCCCCCCCCCCCCNC(=O)C 240690a_100011215765_100015343762 [0,1,0,0,0,0|1,0,2]=4 638 B16R0.274 CCCCCCCCCCCCCNC(=O)C 527a_100011215765_100103153847 [0,1,0,0,0,0|1,0,2]=4 639 B16R0.274 CCCCCCCCCCCCNCC(=O)N 2230a_100000210451_100000747473 [0,1,0,0,0,0|1,0,2]=4 640 B16R0.274 CCCCCCCCCCCCNCC(=O)N 2230a_100000711301_100011215052 [0,1,0,0,0,0|1,0,2]=4 641 B16R0.274 CCCCCCCCCCCCNCC(=O)N 34a_100000210451_100000187820 [0,1,0,0,0,0|1,0,2]=4 642 B16R0.274 CCCCCCCCCCCCNCC(=O)O 269956a_100016091260_100000759014 [0,1,0,0,0,0|0,0,2]=3 643 B16R0.274 CCCCCCCCCCCCNCC(=O)[O-] 34a_100000210451_100020667443 [0,1,0,0,0,0|0,0,3]=4 644 B16R0.274 CCCCCCCCCCCCOCC(=O)C 34a_100000211253_100000759014 [0,1,0,0,0,0|1,0,2]=4 645 B16R0.274 CCCCCCCCCCCCOCC(=O)N 34a_100000210810_100000187820 [0,1,0,0,0,0|1,0,2]=4 646 B16R0.274 CCCCCCCCCCCCOCC(=O)N 7a_100000210810_100000187820 [0,1,0,0,0,0|1,0,2]=4 647 B16R0.274 CCCCCCCCCCCCOCC(=O)[O-] 34a_100000210810_100020667443 [0,1,0,0,0,0|0,0,3]=4 648 B16R0.274 CCCCCCCCCCCCSCC(=O)N 62a_100000747473_100000759014 [0,1,0,0,0,0|1,0,2]=4 649 B16R0.274 CCCCCCCCCCCCSCC(=O)[O-] 62a_100020667443_100000759014 [0,1,0,0,0,0|0,0,3]=4 650 B16R0.274 CCCCCCCCCCCNCCC(=O)N 2230a_200011215754_100000744528 [0,1,0,0,0,0|1,0,2]=4 651 B16R0.274 CCCCCCCCCCCNCCC(=O)N 34a_200011215754_100000731001 [0,1,0,0,0,0|1,0,2]=4 652 B16R0.274 CCCCCCCCCCCNOCC(=O)O 269956a_100000106656_100011215454 [0,1,0,0,0,0|1,0,2]=4 653 B16R0.274 CCCCCCCCCCCOCCC(=O)C 34a_100000759926_100011215454 [0,1,0,0,0,0|1,0,2]=4 654 B16R0.274 CCCCCCCCCCCOCCC(=O)C 7a_100000210809_100000053229 [0,1,0,0,0,0|1,0,2]=4 655 B16R0.274 CCCCCCCCCCCOCCC(=O)C 7a_100000759926_100011215454 [0,1,0,0,0,0|1,0,2]=4 656 B16R0.274 CCCCCCCCCCCOCCC(=O)N 34a_100000210809_100000731001 [0,1,0,0,0,0|1,0,2]=4 657 B16R0.274 CCCCCCCCCCCOCCC(=O)N 34a_100000757172_100011215454 [0,1,0,0,0,0|1,0,2]=4 658 B16R0.274 CCCCCCCCCCCOCCC(=O)N 7a_100000210809_100000744528 [0,1,0,0,0,0|1,0,2]=4 659 B16R0.274 CCCCCCCCCCCOCCC(=O)N 7a_100000757172_100011215454 [0,1,0,0,0,0|1,0,2]=4 660 B16R0.274 CCCCCCCCCCCSCCC(=O)N 62a_100000744528_100011215454 [0,1,0,0,0,0|1,0,2]=4 661 B16R0.274 CCCCCCCCCCNCCCC(=O)C 34a_100000684558_100000685027 [0,1,0,0,0,0|1,0,2]=4 662 B16R0.274 CCCCCCCCCCNCCCC(=O)N 34a_100000684558_100102525003 [0,1,0,0,0,0|1,0,2]=4 663 B16R0.274 CCCCCCCCCCNCCCC(=O)N 34a_100000739312_100000210320 [0,1,0,0,0,0|1,0,2]=4 664 B16R0.274 CCCCCCCCCCOCCCC(=O)C 34a_100000210711_100000685027 [0,1,0,0,0,0|1,0,2]=4 665 B16R0.274 CCCCCCCCCCOCCCC(=O)C 34a_100000759063_100000210320 [0,1,0,0,0,0|1,0,2]=4 666 B16R0.274 CCCCCCCCCCOCCCC(=O)C 7a_100000210711_100011215641 [0,1,0,0,0,0|1,0,2]=4 667 B16R0.274 CCCCCCCCCCOCCCC(=O)C 7a_100000759063_100000210320 [0,1,0,0,0,0|1,0,2]=4 668 B16R0.274 CCCCCCCCCCOCCCC(=O)N 34a_100000210711_100102525003 [0,1,0,0,0,0|1,0,2]=4 669 B16R0.274 CCCCCCCCCCOCCCC(=O)N 7a_100000210711_100102525003 [0,1,0,0,0,0|1,0,2]=4 670 B16R0.274 CCCCCCCCCCSCCCC(=O)N 62a_100102525003_100000210320 [0,1,0,0,0,0|1,0,2]=4 671 B16R0.274 CCCCCCCCCNCCCCC(=O)C 34a_100000212291_100009817362 [0,1,0,0,0,0|1,0,2]=4 672 B16R0.274 CCCCCCCCCNCCCCC(=O)N 34a_100000696515_100011214924 [0,1,0,0,0,0|1,0,2]=4 673 B16R0.274 CCCCCCCCCNCCCNC(=O)C 34a_100000736810_100011214924 [0,1,0,0,0,0|2,0,1]=4 674 B16R0.274 CCCCCCCCCNCCCOC(=O)C 34a_100000212291_100000042594 [0,1,0,0,0,0|2,0,1]=4 675 B16R0.274 CCCCCCCCCNCCCSC(=O)C 2230a_100000212291_100000038929 [0,1,0,0,0,0|2,0,1]=4 676 B16R0.274 CCCCCCCCCNCCCSC(=O)C 34a_100000212291_100000038929 [0,1,0,0,0,0|2,0,1]=4 677 B16R0.274 CCCCCCCCCNCCOCC(=O)N 2230a_100000212291_100000076697 [0,1,0,0,0,0|2,0,1]=4 678 B16R0.274 CCCCCCCCCNCCOCC(=O)N 34a_100000212291_100000076697 [0,1,0,0,0,0|2,0,1]=4 679 B16R0.274 CCCCCCCCCNCCOCC(=O)O 269956a_100000700818_100000210670 [0,1,0,0,0,0|1,0,1]=3 680 B16R0.274 CCCCCCCCCOCCCCC(=O)C 34a_100000210712_100009817362 [0,1,0,0,0,0|1,0,2]=4 681 B16R0.274 CCCCCCCCCOCCCCC(=O)C 7a_100000210712_100000735457 [0,1,0,0,0,0|1,0,2]=4 682 B16R0.274 CCCCCCCCCOCCCCC(=O)N 34a_100012022536_100011214924 [0,1,0,0,0,0|1,0,2]=4 683 B16R0.274 CCCCCCCCCOCCCCC(=O)N 7a_100012022536_100000210328 [0,1,0,0,0,0|1,0,2]=4 684 B16R0.274 CCCCCCCCCOCCCNC(=O)C 34a_100000752032_100011214924 [0,1,0,0,0,0|2,0,1]=4 685 B16R0.274 CCCCCCCCCOCCCOC(=O)C 34a_100000210712_100000042594 [0,1,0,0,0,0|2,0,1]=4 686 B16R0.274 CCCCCCCCCOCCCOC(=O)C 7a_100000210712_100000042594 [0,1,0,0,0,0|2,0,1]=4 687 B16R0.274 CCCCCCCCCOCCCSC(=O)C 34a_100000210712_100000038929 [0,1,0,0,0,0|2,0,1]=4 688 B16R0.274 CCCCCCCCCOCCCSC(=O)C 7a_100000210712_100000038929 [0,1,0,0,0,0|2,0,1]=4 689 B16R0.274 CCCCCCCCCOCCOCC(=O)N 34a_100000210712_100000076697 [0,1,0,0,0,0|2,0,1]=4 690 B16R0.274 CCCCCCCCCOCCOCC(=O)N 7a_100000210712_100000076697 [0,1,0,0,0,0|2,0,1]=4 691 B16R0.274 CCCCCCCCCSCCCOC(=O)C 62a_100000042594_100000210670 [0,1,0,0,0,0|2,0,1]=4 692 B16R0.274 CCCCCCCCCSCCOCC(=O)N 62a_100000076697_100000210670 [0,1,0,0,0,0|2,0,1]=4 693 B16R0.274 CCCCCCCCNCCCCCC(=O)N 2230a_100000229939_100009817443 [0,1,0,0,0,0|1,0,2]=4 694 B16R0.274 CCCCCCCCNCCCCCC(=O)N 34a_100000229939_100009817443 [0,1,0,0,0,0|1,0,2]=4 695 B16R0.274 CCCCCCCCNCCCCNC(=O)C 2230a_200011368371_100000210759 [0,1,0,0,0,0|2,0,1]=4 696 B16R0.274 CCCCCCCCNCCCCNC(=O)C 34a_200011368371_100000210759 [0,1,0,0,0,0|2,0,1]=4 697 B16R0.274 CCCCCCCCNCCCCOC(=O)C 34a_100000229939_100000033659 [0,1,0,0,0,0|2,0,1]=4 698 B16R0.274 CCCCCCCCNCCCCSC(=O)C 2230a_100000229939_200010402107 [0,1,0,0,0,0|2,0,1]=4 699 B16R0.274 CCCCCCCCNCCCCSC(=O)C 34a_100000229939_200010402107 [0,1,0,0,0,0|2,0,1]=4 700 B16R0.274 CCCCCCCCOCCCCCC(=O)N 34a_100000123541_100000210759 [0,1,0,0,0,0|1,0,2]=4 701 B16R0.274 CCCCCCCCOCCCCCC(=O)N 34a_100000210232_100009817443 [0,1,0,0,0,0|1,0,2]=4 702 B16R0.274 CCCCCCCCOCCCCCC(=O)N 7a_100000123541_100000210759 [0,1,0,0,0,0|1,0,2]=4 703 B16R0.274 CCCCCCCCOCCCCCC(=O)N 7a_100000210232_100009817443 [0,1,0,0,0,0|1,0,2]=4 704 B16R0.274 CCCCCCCCOCCCCCC(=O)[O-] 7a_100102619762_100000210759 [0,1,0,0,0,0|0,0,3]=4 705 B16R0.274 CCCCCCCCOCCCCOC(=O)C 34a_100000073216_100000210759 [0,1,0,0,0,0|2,0,1]=4 706 B16R0.274 CCCCCCCCOCCCCOC(=O)C 34a_100000210232_100000033659 [0,1,0,0,0,0|2,0,1]=4 707 B16R0.274 CCCCCCCCOCCCCOC(=O)C 7a_100000073216_100000210759 [0,1,0,0,0,0|2,0,1]=4 708 B16R0.274 CCCCCCCCOCCCCOC(=O)C 7a_100000210232_100000033659 [0,1,0,0,0,0|2,0,1]=4 709 B16R0.274 CCCCCCCCOCCCCSC(=O)C 34a_100000210232_200010402107 [0,1,0,0,0,0|2,0,1]=4 710 B16R0.274 CCCCCCCCOCCCCSC(=O)C 7a_100000210232_200010402107 [0,1,0,0,0,0|2,0,1]=4 711 B16R0.274 CCCCCCCCSCCCCCC(=O)N 62a_100000210759_100009817443 [0,1,0,0,0,0|1,0,2]=4 712 B16R0.274 CCCCCCCCSCCCCCC(=O)N 62a_100009817443_100000210317 [0,1,0,0,0,0|1,0,2]=4 713 B16R0.274 CCCCCCCCSCCCCOC(=O)C 62a_100000033659_100000210317 [0,1,0,0,0,0|2,0,1]=4 714 B16R0.274 CCCCCCCCSCCCCOC(=O)C 62a_100000210759_100000033659 [0,1,0,0,0,0|2,0,1]=4 715 B16R0.274 CCCCCCNCCOCCOCC(=O)O 269956a_100009854275_100000210757 [0,1,0,0,0,0|2,0,1]=4 716 B16R0.274 CCCCCCOCCOCCCCC(=O)C 34a_100000691444_100009817362 [0,1,0,0,0,0|2,0,1]=4 717 B16R0.274 CCCCCCOCCOCCCCC(=O)C 7a_100000691444_100000735457 [0,1,0,0,0,0|2,0,1]=4 718 B16R0.274 CCCCNCCCCOCCCCC(=O)C 34a_200011216965_100009817362 [0,1,0,0,0,0|2,0,1]=4 719 B16R0.274 CCCCOCCCCOCCCCC(=O)C 34a_200000760531_100009817362 [0,1,0,0,0,0|2,0,1]=4 720 B16R0.274 CCCCOCCCCOCCCCC(=O)C 7a_200000760531_100000735457 [0,1,0,0,0,0|2,0,1]=4 721 B16R0.274 CCCOCCCCCCCCCCC(=O)N 34a_100000210258_200010167045 [0,1,0,0,0,0|1,0,2]=4 722 B16R0.274 CCCSCCCCCCCCCCC(=O)N 62a_100000210303_200010167045 [0,1,0,0,0,0|1,0,2]=4 723 B16R0.274 CCCSCCCCCCCCCCC(=O)N 62a_200010167045_100000210303 [0,1,0,0,0,0|1,0,2]=4 724 B16R0.274 NC(=O)CCCCNCCCCCCCCO 34a_100000696515_100000033203 [0,1,0,0,0,0|2,0,1]=4 725 B16R0.274 NC(=O)CCCCOCCCCCCCCO 34a_100012022536_100000033203 [0,1,0,0,0,0|2,0,1]=4 726 B16R0.274 NC(=O)CCCCOCCCCCCCCO 7a_100012022536_100000033203 [0,1,0,0,0,0|2,0,1]=4 727 B16R0.274 NC(=O)CCCNCCCCCCCCCO 34a_100000078944_100102525003 [0,1,0,0,0,0|2,0,1]=4 728 B16R0.274 NC(=O)CCCNCCCCCCCCCO 34a_100000739312_100009813782 [0,1,0,0,0,0|2,0,1]=4 729 B16R0.274 NC(=O)CCCOCCCCCCCCCBr 34a_100009813782_100102525003 [0,1,0,0,0,0|2,0,1]=4 730 B16R0.274 NC(=O)CCCOCCCCCCCCCBr 7a_100009813782_100102525003 [0,1,0,0,0,0|2,0,1]=4 731 B16R0.274 NC(=O)CCCOCCCCCCCCCCl 34a_100009868337_100102525003 [0,1,0,0,0,0|2,0,1]=4 732 B16R0.274 NC(=O)CCCOCCCCCCCCCCl 7a_100009868337_100102525003 [0,1,0,0,0,0|2,0,1]=4 733 B16R0.274 NC(=O)CCCSCCCCCCCCCO 62a_100009813782_100102525003 [0,1,0,0,0,0|2,0,1]=4 734 B16R0.274 NC(=O)CCCSCCCCCCCCCO 62a_100102525003_100009813782 [0,1,0,0,0,0|2,0,1]=4 735 B16R0.274 NCCCCCCCCCOCCCC(=O)N 34a_100000078944_100102525003 [0,1,0,0,0,0|2,0,1]=4 736 B16R0.274 O=C(O)CNCCCCCCCCCCCO 269956a_100016091260_100009812471 [0,1,0,0,0,0|1,0,2]=4 737 B16R0.274 O=C(O)COCCNCCCCCCCCO 269956a_100000700818_100000033203 [0,1,0,0,0,0|2,0,1]=4 738 B16R0.297 CCCCCCCC=CC(=O)CCCC(=O)C 1458a_200015332781_100011215641 [0,1,0,0,0,0|1,0,1]=3 739 B16R0.297 CCCCCCCC=CC(=O)CCCC(=O)N 1458a_200015332781_100102525003 [0,1,0,0,0,0|1,0,1]=3 740 B16R0.297 CCCCCCCC=CC(=O)CCCC(C)O 1458a_200015332781_200000718107 [0,1,0,0,0,0|1,0,2]=4 741 B16R0.297 CCCCCCCC=CC(=O)CCNC(=O)C 1458a_200015332781_100000189650 [0,1,0,0,0,0|2,0,1]=4 742 B16R0.297 CCCCCCCC=CC(=O)CCNC(=O)N 1458a_200015332781_200000034859 [0,1,0,0,0,0|2,0,1]=4 743 B16R0.297 CCCCCCCC=CC(=O)CCOC(=O)C 1458a_200015332781_100009814007 [0,1,0,0,0,0|2,0,1]=4 744 B16R0.297 CCCCCCCC=CC(=O)CCOC(=O)N 1458a_200015332781_200011214921 [0,1,0,0,0,0|2,0,1]=4 745 B16R0.297 CCCCCCCC=CC(=O)NCCC(=O)N 11a_100000740010_200015332781 [0,1,0,0,0,0|2,0,1]=4 746 B16R0.297 CCCCCCCC=CC(=O)NCCC(=O)N 240690a_100000740010_200015332781 [0,1,0,0,0,0|2,0,1]=4 747 B16R0.297 CCCCCCCCCC(=O)CCCC(=O)C 1458a_100000210558_100011215641 [0,1,0,0,0,0|1,0,1]=3 748 B16R0.297 CCCCCCCCCC(=O)CCCC(=O)N 1458a_100000210558_100102525003 [0,1,0,0,0,0|1,0,1]=3 749 B16R0.297 CCCCCCCCCC(=O)CCCC(C)O 1458a_100000210558_200000718107 [0,1,0,0,0,0|1,0,2]=4 750 B16R0.297 CCCCCCCCCC(=O)CCC[N+](=O)[O-] 1458a_100016109205_100000210670 [0,1,0,0,0,0|1,0,2]=4 751 B16R0.297 CCCCCCCCCC(=O)CCNC(=O)C 1458a_100000183196_100000210670 [0,1,0,0,0,0|2,0,1]=4 752 B16R0.297 CCCCCCCCCC(=O)CCNC(=O)C 1458a_100000210558_100000189650 [0,1,0,0,0,0|2,0,1]=4 753 B16R0.297 CCCCCCCCCC(=O)CCNC(=O)N 1458a_100000181464_100000210670 [0,1,0,0,0,0|2,0,1]=4 754 B16R0.297 CCCCCCCCCC(=O)CCNC(=O)N 1458a_100000210558_200000034859 [0,1,0,0,0,0|2,0,1]=4 755 B16R0.297 CCCCCCCCCC(=O)CCOC(=O)C 1458a_100000210558_100009814007 [0,1,0,0,0,0|2,0,1]=4 756 B16R0.297 CCCCCCCCCC(=O)CCOC(=O)N 1458a_100000210558_200011214921 [0,1,0,0,0,0|2,0,1]=4 757 B16R0.297 CCCCCCCCCC(=O)CCSC(=O)C 1458a_100000048949_100000210670 [0,1,0,0,0,0|2,0,1]=4 758 B16R0.297 CCCCCCCCCC(=O)COCC(=O)N 1458a_100011219004_100000210670 [0,1,0,0,0,0|2,0,1]=4 759 B16R0.297 CCCCCCCCCC(=O)NCCC(=O)N 11a_100000740010_100000210558 [0,1,0,0,0,0|2,0,1]=4 760 B16R0.297 CCCCCCCCCC(=O)NCCC(=O)N 240690a_100000740010_100000210558 [0,1,0,0,0,0|2,0,1]=4 761 B16R0.297 CCCCCCCCCC(=O)NCCC(=O)N 527a_100000740010_100000210558 [0,1,0,0,0,0|2,0,1]=4 762 B16R0.297 CCCCCCCCCN(C)CCCC(=O)C 269982a_100000232482_100011215641 [0,1,0,0,0,0|2,0,1]=4 763 B16R0.297 CCCCCCCCCN(C)CCCC(=O)N 269982a_100000232482_100102525003 [0,1,0,0,0,0|2,0,1]=4 764 B16R0.297 CCCCCCCCCN(C)CCCC(=O)O 269956a_100000719178_100000210670 [0,1,0,0,0,0|1,0,1]=3 765 B16R0.297 CCCCCCCCNC(=O)CCCC(C)O 1626a_100000229939_100000761597 [0,1,0,0,0,0|2,0,1]=4 766 B16R0.297 CCCCCCCCNC(=O)CCCC(C)O 527a_100000229939_100000761597 [0,1,0,0,0,0|2,0,1]=4 767 B16R0.297 CCCCCCCCNC(=O)CCC[N+](=O)[O-] 11a_100000229939_100016109205 [0,1,0,0,0,0|2,0,1]=4 768 B16R0.297 CCCCCCCCNC(=O)CCC[N+](=O)[O-] 1626a_100000229939_100016109205 [0,1,0,0,0,0|2,0,1]=4 769 B16R0.297 CCCCCCCCNC(=O)CCC[N+](=O)[O-] 240690a_100000229939_100016109205 [0,1,0,0,0,0|2,0,1]=4 770 B16R0.297 CCCCCCCCNC(=O)CCC[N+](=O)[O-] 527a_100000229939_100016109205 [0,1,0,0,0,0|2,0,1]=4 771 B16R0.297 CCCCCCCCNC(=O)CCNC(=O)C 11a_100000229939_100000183196 [0,1,0,0,0,0|3,0,0]=4 772 B16R0.297 CCCCCCCCNC(=O)CCNC(=O)C 1626a_100000229939_100000183196 [0,1,0,0,0,0|3,0,0]=4 773 B16R0.297 CCCCCCCCNC(=O)CCNC(=O)C 240690a_100000229939_100000183196 [0,1,0,0,0,0|3,0,0]=4 774 B16R0.297 CCCCCCCCNC(=O)CCNC(=O)C 527a_100000229939_100000183196 [0,1,0,0,0,0|3,0,0]=4 775 B16R0.297 CCCCCCCCNC(=O)CCNC(=O)N 240690a_100000229939_100000181464 [0,1,0,0,0,0|3,0,0]=4 776 B16R0.297 CCCCCCCCNC(=O)CCNC(=O)N 527a_100000229939_100000181464 [0,1,0,0,0,0|3,0,0]=4 777 B16R0.297 CCCCCCCCNC(=O)CCSC(=O)C 1626a_100000229939_100000048949 [0,1,0,0,0,0|3,0,0]=4 778 B16R0.297 CCCCCCCCNC(=O)CCSC(=O)C 240690a_100000229939_100000048949 [0,1,0,0,0,0|3,0,0]=4 779 B16R0.297 CCCCCCCCNC(=O)COCC(=O)N 1626a_100000229939_100011219004 [0,1,0,0,0,0|3,0,0]=4 780 B16R0.297 CCCCCCCCNC(=O)COCC(=O)N 240690a_100000229939_100011219004 [0,1,0,0,0,0|3,0,0]=4 781 B16R0.297 CCCCCCCCNC(=O)COCC(=O)N 527a_100000229939_100011219004 [0,1,0,0,0,0|3,0,0]=4 782 B16R0.297 CCCCCCCCNC(=O)CSCC(=O)N 11a_100000229939_100000150265 [0,1,0,0,0,0|3,0,0]=4 783 B16R0.297 CCCCCCCCNC(=O)CSCC(=O)N 240690a_100000229939_100000150265 [0,1,0,0,0,0|3,0,0]=4 784 B16R0.297 CCCCCCCCNC(=O)CSCC(=O)N 527a_100000229939_100000150265 [0,1,0,0,0,0|3,0,0]=4 785 B16R0.297 CCCCCCCCNC(=O)NCCC(=O)N 2708a_100000229939_100000740010 [0,1,0,0,0,0|3,0,0]=4 786 B16R0.297 CCCCCCCCNC(=O)NCCC(=O)N 273464a_100000229939_100000740010 [0,1,0,0,0,0|3,0,0]=4 787 B16R0.297 CCCCCCCCNC(=O)NCCC(=O)N 273464a_100000740010_100000229939 [0,1,0,0,0,0|3,0,0]=4 788 B16R0.297 CCCCCCCCNC(=O)NCCC(=O)N 512a_100000229939_100000740010 [0,1,0,0,0,0|3,0,0]=4 789 B16R0.297 CCCCCCCCOC(C)CCCC(=O)[O-] 7a_100000761597_100000210759 [0,1,0,0,0,0|1,0,2]=4 790 B16R0.297 CN(CCCCCCCCO)CCCC(=O)O 269956a_100000719178_100000033203 [0,1,0,0,0,0|2,0,1]=4 791 B16R0.302 CCCCCCCCCCCN(C)CC(=O)O 269956a_100000746989_100011215454 [0,1,0,0,0,0|1,0,2]=4 792 B16R0.302 CCCCCCCCCNCC(O)CC(=O)O 269956a_100011218706_100000210670 [0,1,0,0,0,0|1,0,1]=3 793 B16R0.302 O=C(O)CC(O)CNCCCCCCCCO 269956a_100011218706_100000033203 [0,1,0,0,0,0|2,0,1]=4 794 B16R0.1188 CCCCCCCC/C=C/COCC(C)(C)O 34a_200020667288_100000764493 [0,1,0,0,0,0|2,0,1]=4 795 B16R0.1188 CCCCCCCC/C=C/COCC(C)(C)O 7a_200020667288_100000764493 [0,1,0,0,0,0|2,0,1]=4 796 B16R0.1188 CCCCCCCC/C=C/COCS(=O)(=O)[O-] 34a_200020667288_100009817235 [0,1,0,0,0,0|2,0,1]=4 797 B16R0.1820 CC(=O)CCCCC(=O)CCCCCCCO 1458a_100011219782_100000735457 [0,1,0,0,0,0|2,0,1]=4 798 B16R0.1820 CCCCCCCCC(=O)CCCCB(O)O 1458a_100000210188_200009817182 [0,1,0,0,0,0|1,0,2]=4 799 B16R0.1820 CCCCCCCCC(=O)CCCCC(=O)C 1458a_100000210188_100000735457 [0,1,0,0,0,0|1,0,1]=3 800 B16R0.1820 CCCCCCCCC(=O)CCCNC(=O)C 1458a_100000194741_100000210759 [0,1,0,0,0,0|2,0,1]=4 801 B16R0.1820 CCCCCCCCC(=O)CCCOC(=O)C 1458a_100000210188_100000042594 [0,1,0,0,0,0|2,0,1]=4 802 B16R0.1820 CCCCCCCCC(=O)CCCSC(=O)C 1458a_100000210188_100000038929 [0,1,0,0,0,0|2,0,1]=4 803 B16R0.1820 CCCCCCCCC(=O)CCOCC(=O)N 1458a_100000210188_100000076697 [0,1,0,0,0,0|2,0,1]=4 804 B16R0.1820 CCCCCCCCC(=O)CCSCC(=O)N 1458a_100000148550_100000210759 [0,1,0,0,0,0|2,0,1]=4 805 B16R0.1820 CCCCCCCCC(=O)NCCCC(=O)N 240690a_100000739312_100000210188 [0,1,0,0,0,0|2,0,0]=3 806 B16R0.1820 CCCCCCCCC(=O)NCCCC(=O)N 527a_100000739312_100000210188 [0,1,0,0,0,0|2,0,0]=3 807 B16R0.1820 CCCCCCCCC(=O)NCCCS(=O)C 11a_200000753449_100000210188 [0,1,0,0,0,0|3,0,0]=4 808 B16R0.1820 CCCCCCCCC(=O)NCCCS(=O)C 240690a_200000753449_100000210188 [0,1,0,0,0,0|3,0,0]=4 809 B16R0.1820 CCCCCCCCC(=O)NCCCS(=O)C 527a_200000753449_100000210188 [0,1,0,0,0,0|3,0,0]=4 810 B16R0.1820 CCCCCCCCC(=O)NCCNC(=O)C 240690a_100000209853_100000210188 [0,1,0,0,0,0|3,0,0]=4 811 B16R0.1820 CCCCCCCCC(=O)NCCNC(=O)C 527a_100000209853_100000210188 [0,1,0,0,0,0|3,0,0]=4 812 B16R0.1820 CCCCCCCCC(=O)NCCNC(=O)N 240690a_100020590234_100000210188 [0,1,0,0,0,0|3,0,0]=4 813 B16R0.1820 CCCCCCCCC(=O)NCCNC(=O)N 527a_100020590234_100000210188 [0,1,0,0,0,0|3,0,0]=4 814 B16R0.1820 CCCCCCCCC(=O)NCCOC(=O)C 11a_100000724843_100000210188 [0,1,0,0,0,0|3,0,0]=4 815 B16R0.1820 CCCCCCCCC(=O)NCCOC(=O)C 240690a_100000724843_100000210188 [0,1,0,0,0,0|3,0,0]=4 816 B16R0.1820 CCCCCCCCC(=O)NCCOC(=O)C 527a_100000724843_100000210188 [0,1,0,0,0,0|3,0,0]=4 817 B16R0.1820 CCCCCCCCC(=O)NCCSC(=O)C 11a_100020647217_100000210188 [0,1,0,0,0,0|3,0,0]=4 818 B16R0.1820 CCCCCCCCC(=O)NCCSC(=O)C 240690a_100020647217_100000210188 [0,1,0,0,0,0|3,0,0]=4 819 B16R0.1820 CCCCCCCCC(=O)NCCSC(=O)C 527a_100020647217_100000210188 [0,1,0,0,0,0|3,0,0]=4 820 B16R0.1820 CCCCCCCCC(C)OCCCC(=O)C 34a_100000210740_100000685027 [0,1,0,0,0,0|2,0,1]=4 821 B16R0.1820 CCCCCCCCC(C)OCCCC(=O)C 7a_100000210740_100011215641 [0,1,0,0,0,0|2,0,1]=4 822 B16R0.1820 CCCCCCCCC(C)OCCCC(=O)N 34a_100000210740_100102525003 [0,1,0,0,0,0|2,0,1]=4 823 B16R0.1820 CCCCCCCCC(C)OCCCC(=O)N 7a_100000210740_100102525003 [0,1,0,0,0,0|2,0,1]=4 824 B16R0.1820 CCCCCCCCN(C)CCCCC(=O)C 269982a_100000207567_100000735457 [0,1,0,0,0,0|2,0,1]=4 825 B16R0.1820 CCCCCCCNC(=O)NCCCC(=O)N 273464a_100000229938_100000739312 [0,1,0,0,0,0|3,0,0]=4 826 B16R0.1820 CCCCCCCNC(=O)NCCCC(=O)N 273464a_100000739312_100000229938 [0,1,0,0,0,0|3,0,0]=4 827 B16R0.1820 CCCCCCCNC(=O)NCCCC(=O)N 512a_100000229938_100000739312 [0,1,0,0,0,0|3,0,0]=4 828 B16R0.1820 CCCCCCCNC(=O)NCCCC(=O)N 512a_100000739312_100000229938 [0,1,0,0,0,0|3,0,0]=4 829 B16R0.1820 NC(=O)CCCNC(=O)CCCCCCCO 240690a_100000739312_100011219782 [0,1,0,0,0,0|3,0,0]=4 830 B16R0.3183 CCCCCCCCC=CC(=O)CCC(C)O 1458a_100015345288_100012276601 [0,1,0,0,0,0|1,0,2]=4 831 B16R0.3183 CCCCCCCCC=CC(=O)NCC(=O)N 11a_100000711301_100015345288 [0,1,0,0,0,0|2,0,1]=4 832 B16R0.3183 CCCCCCCCC=CC(=O)NCC(=O)N 240690a_100000711301_100015345288 [0,1,0,0,0,0|2,0,1]=4 833 B16R0.3288 CC(=O)CCCCNCCCCCCC(C)C 34a_100000211014_100009817362 [0,1,0,0,0,0|2,0,1]=4 834 B16R0.3288 CC(=O)CCCOCCCCCCCC(C)C 34a_200000210741_100000685027 [0,1,0,0,0,0|2,0,1]=4 835 B16R0.3288 CC(=O)CCCOCCCCCCCC(C)C 7a_200000210741_100011215641 [0,1,0,0,0,0|2,0,1]=4 836 B16R0.3288 CC(C)CCCCCCCOCCCC(=O)N 34a_200000210741_100102525003 [0,1,0,0,0,0|2,0,1]=4 837 B16R0.3288 CC(C)CCCCCCCOCCCC(=O)N 7a_200000210741_100102525003 [0,1,0,0,0,0|2,0,1]=4 838 B16R1.27 CCCCCCCCOC1CCCC(=O)C1 34a_100012613340_100000210759 [0,0,0,1,0,0|2,0,1]=4 839 B16R1.57 CCC1CCCCC1NCCCCC(=O)N 269862a_100000696515_100000757040 [0,0,0,1,0,0|2,0,1]=4 840 B16R1.57 CCC1CCCCC1NCCCCC(=O)N 270004a_100000696515_100000757040 [0,0,0,1,0,0|2,0,1]=4 841 B16R1.57 CCC1CCCCC1OCCCCC(=O)C 34a_100000210738_100009817362 [0,0,0,1,0,0|2,0,1]=4 842 B16R1.57 CCC1CCCCC1OCCCCC(=O)C 7a_100000210738_100000735457 [0,0,0,1,0,0|2,0,1]=4 843 B16R1.250 CCCCCCCCCNCC1CC(=O)C1 2230a_100000212291_100009874392 [0,0,0,1,0,0|2,0,1]=4 844 B16R1.250 CCCCCCCCCOCC1CC(=O)C1 34a_100000101936_100011214924 [0,0,0,1,0,0|2,0,1]=4 845 B16R1.250 CCCCCCCCCOCC1CC(=O)C1 7a_100000210712_100009874392 [0,0,0,1,0,0|2,0,1]=4 846 B16R1.250 CCCCCCCCCSCC1CC(=O)C1 62a_100009874392_100000210670 [0,0,0,1,0,0|2,0,1]=4 847 B16R1.596 CC(=O)CCCCNCCC1CCCCC1 34a_100000738074_100009817362 [0,0,0,1,0,0|2,0,1]=4 848 B16R1.596 CC(=O)CCCCOCCC1CCCCC1 34a_100011217863_100009817362 [0,0,0,1,0,0|2,0,1]=4 849 B16R1.596 CC(=O)CCCCOCCC1CCCCC1 7a_100011217863_100000735457 [0,0,0,1,0,0|2,0,1]=4 850 B16R1.596 CC(=O)CCCCSCCC1CCCCC1 62a_100000735457_100012355289 [0,0,0,1,0,0|2,0,1]=4 851 B16R1.596 CC(=O)CCCCSCCC1CCCCC1 62a_100012355289_100000735457 [0,0,0,1,0,0|2,0,1]=4 852 B16R1.596 CC(=O)CCCNCCCC1CCCCC1 34a_100011211642_100000685027 [0,0,0,1,0,0|2,0,1]=4 853 B16R1.596 CC(=O)CCCOCCCC1CCCCC1 34a_100000198086_100000685027 [0,0,0,1,0,0|2,0,1]=4 854 B16R1.596 CC(=O)CCCOCCCC1CCCCC1 34a_100000759063_100011713725 [0,0,0,1,0,0|2,0,1]=4 855 B16R1.596 CC(=O)CCCOCCCC1CCCCC1 7a_100000198086_100011215641 [0,0,0,1,0,0|2,0,1]=4 856 B16R1.596 CC(=O)CCCOCCCC1CCCCC1 7a_100000759063_100011713725 [0,0,0,1,0,0|2,0,1]=4 857 B16R1.596 CC(=O)CCCSCCCC1CCCCC1 62a_100011215641_100011713725 [0,0,0,1,0,0|2,0,1]=4 858 B16R1.596 CC(=O)CCCSCCCC1CCCCC1 62a_100011713725_100011215641 [0,0,0,1,0,0|2,0,1]=4 859 B16R1.596 NC(=O)CCCCNCCC1CCCCC1 270004a_100000696515_100011713444 [0,0,0,1,0,0|2,0,1]=4 860 B16R1.596 NC(=O)CCCCNCCC1CCCCC1 34a_100000696515_100011209188 [0,0,0,1,0,0|2,0,1]=4 861 B16R1.596 NC(=O)CCCCOCCC1CCCCC1 34a_100012022536_100011209188 [0,0,0,1,0,0|2,0,1]=4 862 B16R1.596 NC(=O)CCCCOCCC1CCCCC1 7a_100012022536_100011273959 [0,0,0,1,0,0|2,0,1]=4 863 B16R1.596 NC(=O)CCCNCCCC1CCCCC1 34a_100000739312_100011713725 [0,0,0,1,0,0|2,0,1]=4 864 B16R1.596 NC(=O)CCCNCCCC1CCCCC1 34a_100011211642_100102525003 [0,0,0,1,0,0|2,0,1]=4 865 B16R1.596 NC(=O)CCCOCCCC1CCCCC1 34a_100000198086_100102525003 [0,0,0,1,0,0|2,0,1]=4 866 B16R1.596 NC(=O)CCCOCCCC1CCCCC1 7a_100000198086_100102525003 [0,0,0,1,0,0|2,0,1]=4 867 B16R1.596 NC(=O)CCCSCCCC1CCCCC1 62a_100011713725_100102525003 [0,0,0,1,0,0|2,0,1]=4 868 B16R1.596 NC(=O)CCCSCCCC1CCCCC1 62a_100102525003_100011713725 [0,0,0,1,0,0|2,0,1]=4 869 B16R1.596 O=C(O)COCCNCCC1CCCCC1 269956a_100000700818_100011273959 [0,0,0,1,0,0|2,0,1]=4 870 B16R1.642 CCCCCCCCCNC1COC(=O)O1 34a_100000212291_100000032252 [0,0,0,1,0,0|2,0,1]=4 871 B16R1.642 CCCCCCCCCOC1CCC(=O)C1 34a_100012614533_100011214924 [0,0,0,1,0,0|2,0,1]=4 872 B16R1.642 CCCCCCCCCOC1COC(=O)O1 34a_100000210712_100000032252 [0,0,0,1,0,0|2,0,1]=4 873 B16R1.642 CCCCCCCCNCC1CNC(=O)O1 2230a_100000229939_100000181169 [0,0,0,1,0,0|2,0,1]=4 874 B16R1.642 CCCCCCCCNCC1CNC(=O)O1 34a_100000229939_100000181169 [0,0,0,1,0,0|2,0,1]=4 875 B16R1.642 CCCCCCCCNCC1COC(=O)O1 34a_100000229939_100000073702 [0,0,0,1,0,0|2,0,1]=4 876 B16R1.642 CCCCCCCCNC[C@@H]1CCC(=O)N1 2230a_100000229939_100015189358 [0,0,0,1,0,0|2,0,1]=4 877 B16R1.642 CCCCCCCCNC[C@H]1CCC(=O)N1 2230a_100015423886_100000210759 [0,0,0,1,0,0|2,0,1]=4 878 B16R1.642 CCCCCCCCNC[C@H]1CCC(=O)N1 34a_100015423886_100000210759 [0,0,0,1,0,0|2,0,1]=4 879 B16R1.642 CCCCCCCCOCC1CCC(=O)N1 34a_100000737831_100000210759 [0,0,0,1,0,0|2,0,1]=4 880 B16R1.642 CCCCCCCCOCC1CNC(=O)O1 34a_100000210232_100000181169 [0,0,0,1,0,0|2,0,1]=4 881 B16R1.642 CCCCCCCCOCC1CNC(=O)O1 34a_100011315639_100000210759 [0,0,0,1,0,0|2,0,1]=4 882 B16R1.642 CCCCCCCCOCC1CNC(=O)O1 7a_100000210232_100000181169 [0,0,0,1,0,0|2,0,1]=4 883 B16R1.642 CCCCCCCCOCC1COC(=O)O1 34a_100000210232_100000073702 [0,0,0,1,0,0|2,0,1]=4 884 B16R1.642 CCCCCCCCOC[C@@H]1CCC(=O)N1 7a_100000210232_100015189358 [0,0,0,1,0,0|2,0,1]=4 885 B16R1.642 CCCCCCCCSCC1CNC(=O)O1 62a_100000181169_100000210317 [0,0,0,1,0,0|2,0,1]=4 886 B16R1.642 CCCCCCCCSCC1CNC(=O)O1 62a_100000210759_100000181169 [0,0,0,1,0,0|2,0,1]=4 887 B16R1.642 CCCCCCCCSCC1COC(=O)O1 62a_100000073702_100000210317 [0,0,0,1,0,0|2,0,1]=4 888 B16R1.642 CCCCCCCCSCC1COC(=O)O1 62a_100000210759_100000073702 [0,0,0,1,0,0|2,0,1]=4 889 B16R1.642 CCCCCCCCSC[C@@H]1CCC(=O)N1 62a_100000210759_100015189358 [0,0,0,1,0,0|2,0,1]=4 890 B16R1.642 CCCCCCCCSC[C@@H]1CCC(=O)N1 62a_100015189358_100000210317 [0,0,0,1,0,0|2,0,1]=4 891 B16R1.695 CCCC1CCCCC1NCCCC(=O)N 269862a_100000739312_100011218038 [0,0,0,1,0,0|2,0,1]=4 892 B16R1.695 CCCC1CCCCC1OCCCC(=O)C 34a_100011217265_100000685027 [0,0,0,1,0,0|2,0,1]=4 893 B16R1.695 CCCC1CCCCC1OCCCC(=O)C 7a_100011217265_100011215641 [0,0,0,1,0,0|2,0,1]=4 894 B16R1.695 CCCC1CCCCC1OCCCC(=O)N 34a_100011217265_100102525003 [0,0,0,1,0,0|2,0,1]=4 895 B16R1.695 CCCC1CCCCC1OCCCC(=O)N 7a_100011217265_100102525003 [0,0,0,1,0,0|2,0,1]=4 896 B16R1.695 CCCC1CCCCN1CCCCC(=O)C 269982a_100000701414_100000735457 [0,0,0,1,0,0|2,0,1]=4 897 B16R1.695 CCCC1CCCCN1CCCCC(=O)C 34a_100000701414_100009817362 [0,0,0,1,0,0|2,0,1]=4 898 B16R1.708 CCCC1CCCC1NCCCCC(=O)N 269862a_100000696515_100000723119 [0,0,0,1,0,0|2,0,1]=4 899 B16R1.708 CCCC1CCCC1NCCCCC(=O)N 270004a_100000696515_100000723119 [0,0,0,1,0,0|2,0,1]=4 900 B16R1.1270 CCCCC1CCCC1NCCCC(=O)N 269862a_100000739312_100000750825 [0,0,0,1,0,0|2,0,1]=4 901 B16R1.1275 CC(=O)CCCCNCCCC1CCCC1 34a_100000736752_100009817362 [0,0,0,1,0,0|2,0,1]=4 902 B16R1.1275 CC(=O)CCCCOCCCC1CCCC1 34a_100011215328_100009817362 [0,0,0,1,0,0|2,0,1]=4 903 B16R1.1275 CC(=O)CCCCOCCCC1CCCC1 7a_100011215328_100000735457 [0,0,0,1,0,0|2,0,1]=4 904 B16R1.1275 CC(=O)CCCCSCCCC1CCCC1 62a_100000735457_100011713738 [0,0,0,1,0,0|2,0,1]=4 905 B16R1.1275 CC(=O)CCCCSCCCC1CCCC1 62a_100011713738_100000735457 [0,0,0,1,0,0|2,0,1]=4 906 B16R1.1275 NC(=O)CCCCNCCCC1CCCC1 34a_100000696515_100011713738 [0,0,0,1,0,0|2,0,1]=4 907 B16R1.1275 NC(=O)CCCCOCCCC1CCCC1 34a_100012022536_100011713738 [0,0,0,1,0,0|2,0,1]=4 908 B16R1.1275 NC(=O)CCCCOCCCC1CCCC1 7a_100012022536_100011713738 [0,0,0,1,0,0|2,0,1]=4 909 B16R1.1275 O=C(O)COCCNCCCC1CCCC1 269956a_100000700818_100011713738 [0,0,0,1,0,0|2,0,1]=4 910 B16R1.1424 CCCCCN1CCCCC1CCC(=O)O 269956a_100000694054_100000210326 [0,0,0,1,0,0|1,0,2]=4 911 B16R1.3900 CCCCCCCN1CCCC[C@@H]1C(=O)O 269956a_100000763471_100000210614 [0,0,0,1,0,0|1,0,2]=4 912 B16R1.3900 CCCCCCCN1CSCCC1C(=O)O 269956a_100015185162_100000210614 [0,0,0,1,0,0|2,0,1]=4 913 B16R1.3900 CCCCCCN[C@@H]1CCCC[C@H]1C(=O)O 269956a_100009816435_100000210757 [0,0,0,1,0,0|1,0,2]=4 914 B16R1.5450 CCCCN[C@@H]1CCCCCC[C@@H]1C(=O)O 269956a_200049070474_100000210211 [0,0,0,1,0,0|1,0,2]=4 915 B16R1.6690 CCCCCCCCN1CCC[C@H]1C(=O)N 2230a_100000003125_100000210759 [0,0,0,1,0,0|2,0,1]=4 916 B16R1.6690 CCCCCCCCN1CCC[C@H]1C(=O)O 269956a_100000743916_100000210759 [0,0,0,1,0,0|1,0,1]=3 917 B16R1.6690 CCCCCCCCN1CCSC1C(=O)O 269956a_100000035718_100000210759 [0,0,0,1,0,0|2,0,1]=4 918 B16R1.6690 CCCCCCCCN1CSC[C@H]1C(=O)O 269956a_100000743924_100000210759 [0,0,0,1,0,0|2,0,1]=4 919 B16R1.6690 COCCCCCCN1CCC[C@H]1C(=O)O 269956a_100000743916_100011998445 [0,0,0,1,0,0|2,0,1]=4 920 B16R1.6690 O=C(O)[C@@H]1CCCN1CCCCCCCO 269956a_100000743916_100000760002 [0,0,0,1,0,0|2,0,1]=4 921 B16R1.7037 CCCCCCN1CCCCCC1C(=O)O 269956a_100000758484_100000210757 [0,0,0,1,0,0|1,0,2]=4 922 B16R1.12272 CC(=O)CCCCN1CCCCCCCC1 269982a_100000039187_100000735457 [0,0,0,1,0,0|2,0,1]=4 923 B16R1.12272 CC(=O)CCCCN1CCCCCCCC1 34a_100000039187_100009817362 [0,0,0,1,0,0|2,0,1]=4 924 B16R1.12354 CC(=O)CCCCNC1CCCCCCC1 34a_100000211152_100009817362 [0,0,0,1,0,0|2,0,1]=4 925 B16R1.12354 CC(=O)CCCCOC1CCCCCCC1 34a_100000210054_100009817362 [0,0,0,1,0,0|2,0,1]=4 926 B16R1.12354 CC(=O)CCCCOC1CCCCCCC1 7a_100000210054_100000735457 [0,0,0,1,0,0|2,0,1]=4 927 B16R1.12354 CC(=O)CCCOCC1CCCCCCC1 34a_100011216312_100000685027 [0,0,0,1,0,0|2,0,1]=4 928 B16R1.12354 CC(=O)CCCOCC1CCCCCCC1 7a_100011216312_100011215641 [0,0,0,1,0,0|2,0,1]=4 929 B16R1.12354 NC(=O)CCCCNC1CCCCCCC1 270004a_100000696515_100000210524 [0,0,0,1,0,0|2,0,1]=4 930 B16R1.12354 NC(=O)CCCOCC1CCCCCCC1 34a_100011216312_100102525003 [0,0,0,1,0,0|2,0,1]=4 931 B16R1.12354 NC(=O)CCCOCC1CCCCCCC1 7a_100011216312_100102525003 [0,0,0,1,0,0|2,0,1]=4 932 B16R1.17455 CCCCCCCC/C=C/COCC1CO1 34a_200020667288_102125554688 [0,0,0,1,0,0|2,0,1]=4 933 B16R1.17455 CCCCCCCC/C=C/COCC1CO1 7a_200020667288_102125554688 [0,0,0,1,0,0|2,0,1]=4 934 B16R1.17455 CCCCCCCC/C=C/COC[C@@H]1CO1 7a_200020667288_100000745022 [0,0,0,1,0,0|2,0,1]=4 935 B16R1.17540 CCCCCCCCCN1CCC1C(=O)O 269956a_100000021838_100000210670 [0,0,0,1,0,0|1,0,1]=3 936 B16R1.17540 O=C(O)C1CCN1CCCCCCCCO 269956a_100000021838_100000033203 [0,0,0,1,0,0|2,0,1]=4 937 B16R1.18095 CC(=O)CCCCNCC1CCCCCC1 34a_100015204231_100009817362 [0,0,0,1,0,0|2,0,1]=4 938 B16R1.18095 CC(=O)CCCCOCC1CCCCCC1 34a_100000699130_100009817362 [0,0,0,1,0,0|2,0,1]=4 939 B16R1.18095 CC(=O)CCCCOCC1CCCCCC1 7a_100000699130_100000735457 [0,0,0,1,0,0|2,0,1]=4 940 B16R1.18095 CC(=O)CCCCSCC1CCCCCC1 62a_100000735457_200000696569 [0,0,0,1,0,0|2,0,1]=4 941 B16R1.18095 CC(=O)CCCCSCC1CCCCCC1 62a_200000696569_100000735457 [0,0,0,1,0,0|2,0,1]=4 942 B16R1.18095 CC(=O)CCCNCCC1CCCCCC1 34a_100011532351_100000685027 [0,0,0,1,0,0|2,0,1]=4 943 B16R1.18095 NC(=O)CCCCNCC1CCCCCC1 269862a_100000696515_200000763224 [0,0,0,1,0,0|2,0,1]=4 944 B16R1.18095 NC(=O)CCCCNCC1CCCCCC1 34a_100000696515_200000696569 [0,0,0,1,0,0|2,0,1]=4 945 B16R1.18095 NC(=O)CCCCOCC1CCCCCC1 34a_100012022536_200000696569 [0,0,0,1,0,0|2,0,1]=4 946 B16R1.18095 NC(=O)CCCCOCC1CCCCCC1 7a_100012022536_200000696569 [0,0,0,1,0,0|2,0,1]=4 947 B16R1.18095 NC(=O)CCCNCCC1CCCCCC1 34a_100011532351_100102525003 [0,0,0,1,0,0|2,0,1]=4 948 B16R1.18095 O=C(O)COCCNCC1CCCCCC1 269956a_100000700818_200000696569 [0,0,0,1,0,0|2,0,1]=4 949 B13R0.336 C=CCCC/C=C/COCCCCC 34a_200016268473_100000718602 [2,0,0,0,0,0|2,0,0]=4 950 B13R0.336 C=CCCC/C=C/COCCCCC 7a_200016268473_100000210326 [2,0,0,0,0,0|2,0,0]=4 951 B13R0.336 C=CCCCNCCCCCCCC 2230a_100000229939_100011713584 [2,0,0,0,0,0|2,0,0]=4 952 B13R0.336 C=CCCCNCCCCCCCC 2230a_100000700776_100000210759 [2,0,0,0,0,0|2,0,0]=4 953 B13R0.336 C=CCCCNCCCCCCCC 34a_100000229939_100000757094 [2,0,0,0,0,0|2,0,0]=4 954 B13R0.336 C=CCCCNCCCCCCCC 34a_100000700776_100000210759 [2,0,0,0,0,0|2,0,0]=4 955 B13R0.336 C=CCCCOCCCCCCCC 34a_100000210232_100000757094 [2,0,0,0,0,0|2,0,0]=4 956 B13R0.336 C=CCCCOCCCCCCCC 34a_100000758997_100000210759 [2,0,0,0,0,0|2,0,0]=4 957 B13R0.336 C=CCCCOCCCCCCCC 7a_100000210232_100000757094 [2,0,0,0,0,0|2,0,0]=4 958 B13R0.336 C=CCCCOCCCCCCCC 7a_100000758997_100000210759 [2,0,0,0,0,0|2,0,0]=4 959 B13R0.336 CCCC/C=C/CCCCOCCC 34a_200020645093_100000210303 [2,0,0,0,0,0|1,0,1]=4 960 B13R0.336 CCCC/C=C/CCCCOCCC 7a_200020645093_100000210303 [2,0,0,0,0,0|1,0,1]=4 961 B13R0.336 CCCC/C=C/COCCCCCC 34a_200016272032_100000210314 [2,0,0,0,0,0|1,0,1]=4 962 B13R0.336 CCCC/C=C/COCCCCCC 7a_200016272032_100000210314 [2,0,0,0,0,0|1,0,1]=4 963 B13R0.336 CCCC/C=C\CCOCCCCC 34a_200016286491_100000718602 [2,0,0,0,0,0|1,0,1]=4 964 B13R0.336 CCCC/C=C\CCOCCCCC 7a_200016286491_100000210326 [2,0,0,0,0,0|1,0,1]=4 965 B13R0.336 CCCCCCCC/C=C/COCC 34a_200020667288_100000210202 [2,0,0,0,0,0|1,0,1]=4 966 B13R0.336 CCCCCCCC/C=C/COCC 7a_200020667288_100000210202 [2,0,0,0,0,0|1,0,1]=4 967 B13R0.336 CCCCCCCC/C=C/COCF 34a_200020667288_100015361967 [2,0,0,0,0,0|2,0,0]=4 968 B13R0.336 CCCCCCCC/C=C/COCF 7a_200020667288_100015361967 [2,0,0,0,0,0|2,0,0]=4 969 B13R0.336 CCCCCCCCC=NNCCO 4a_100000210001_100011218696 [2,0,0,0,0,0|2,0,0]=4 970 B13R0.336 CCCCCCCCCCNCC=O 2230a_100000684558_200015260668 [2,0,0,0,0,0|1,0,1]=4 971 B13R0.336 CCCCCCCCCCNCC=O 34a_100000684558_200009817547 [2,0,0,0,0,0|1,0,1]=4 972 B13R0.336 CCCCCCCCCCOCC=O 34a_100000210711_200009817547 [2,0,0,0,0,0|1,0,1]=4 973 B13R0.336 CCCCCCCCCCOCC=O 7a_100000210711_200015260668 [2,0,0,0,0,0|1,0,1]=4 974 B13R0.336 CCCCCCCCCCSCC=O 62a_200015260668_100000210320 [2,0,0,0,0,0|1,0,1]=4 975 B13R0.336 CCCCCCCCCNCCCO 2230a_100000212291_100000230001 [2,0,0,0,0,0|1,0,1]=4 976 B13R0.336 CCCCCCCCCNCCCO 34a_100000212291_100000230001 [2,0,0,0,0,0|1,0,1]=4 977 B13R0.336 CCCCCCCCCOCCCO 34a_100000210712_100000230001 [2,0,0,0,0,0|1,0,1]=4 978 B13R0.336 CCCCCCCCCOCCCO 7a_100000210712_100011215043 [2,0,0,0,0,0|1,0,1]=4 979 B13R0.336 CCCCCCCCCSCCCO 62a_100011215043_100000210670 [2,0,0,0,0,0|1,0,1]=4 980 B13R0.336 CCCCCCCCNCCCC=O 2230a_100000229939_200011292268 [2,0,0,0,0,0|1,0,0]=3 981 B13R0.336 CCCCCCCCNCCCCO 2230a_100000229939_100000210776 [2,0,0,0,0,0|1,0,1]=4 982 B13R0.336 CCCCCCCCNCCCCO 2230a_100000750430_100000210759 [2,0,0,0,0,0|1,0,1]=4 983 B13R0.336 CCCCCCCCNCCCCO 34a_100000229939_100011216708 [2,0,0,0,0,0|1,0,1]=4 984 B13R0.336 CCCCCCCCNCCCCO 34a_100000750430_100000210759 [2,0,0,0,0,0|1,0,1]=4 985 B13R0.336 CCCCCCCCOCCCC=O 7a_100000210232_200011292268 [2,0,0,0,0,0|1,0,0]=3 986 B13R0.336 CCCCCCCCOCCCCO 34a_100000210232_100011216708 [2,0,0,0,0,0|1,0,1]=4 987 B13R0.336 CCCCCCCCOCCCCO 7a_100000210232_100000210776 [2,0,0,0,0,0|1,0,1]=4 988 B13R0.336 CCCCCCCCSCCCC=O 62a_100000210759_200011292268 [2,0,0,0,0,0|1,0,0]=3 989 B13R0.336 CCCCCCCCSCCCC=O 62a_200011292268_100000210317 [2,0,0,0,0,0|1,0,0]=3 990 B13R0.336 CCCCCCCCSCCCCO 62a_100000210759_100000210776 [2,0,0,0,0,0|1,0,1]=4 991 B13R0.336 CCCCCCCCSCCCCO 62a_100000210776_100000210317 [2,0,0,0,0,0|1,0,1]=4 992 B13R0.336 CCCCCCCNCCCCC=O 2230a_100000229938_100000139335 [2,0,0,0,0,0|1,0,1]=4 993 B13R0.336 CCCCCCCOCCCCC=O 7a_100000210272_100000139335 [2,0,0,0,0,0|1,0,1]=4 994 B13R0.336 CCCCCCCSCCCCC=O 62a_100000139335_100000210316 [2,0,0,0,0,0|1,0,1]=4 995 B13R0.336 CCCCCCCSCCCCC=O 62a_100000210614_100000139335 [2,0,0,0,0,0|1,0,1]=4 996 B13R0.336 CCCCCCNCCCCCC=O 2230a_100000210581_100000139337 [2,0,0,0,0,0|1,0,1]=4 997 B13R0.336 CCCCCCOCCCCCC=O 7a_100000210259_100000139337 [2,0,0,0,0,0|1,0,1]=4 998 B13R0.336 CCCCCCSCCCCCC=O 62a_100000139337_100000210757 [2,0,0,0,0,0|1,0,1]=4 999 B13R0.336 CCCCCCSCCCCCC=O 62a_100000210314_100000139337 [2,0,0,0,0,0|1,0,1]=4 1000 B13R0.336 CCCCCOCCOCCCC=O 7a_100011215259_200011292268 [2,0,0,0,0,0|2,0,0]=4 1001 B13R0.336 CCCCOCCCNCCCC=O 2230a_200000211371_200011292268 [2,0,0,0,0,0|2,0,0]=4 1002 B13R0.336 CCCCOCCCOCCCC=O 7a_200011215613_200011292268 [2,0,0,0,0,0|2,0,0]=4 1003 B13R0.336 COCCCCCCOCCCC=O 7a_200012092642_200011292268 [2,0,0,0,0,0|2,0,0]=4 1004 B13R0.336 COCCCCCCSCCCC=O 62a_100011998445_200011292268 [2,0,0,0,0,0|2,0,0]=4 1005 B13R0.336 COCCCCCCSCCCC=O 62a_200011292268_100011998445 [2,0,0,0,0,0|2,0,0]=4 1006 B13R0.336 O=CCCCNCCCCCCCO 2230a_100011996573_200011292268 [2,0,0,0,0,0|2,0,0]=4 1007 B13R0.336 O=CCCCOCCCCCCCBr 7a_100000760002_200011292268 [2,0,0,0,0,0|2,0,0]=4 1008 B13R0.336 O=CCCCSCCCCCCCO 62a_100000760002_200011292268 [2,0,0,0,0,0|2,0,0]=4 1009 B13R0.336 O=CCCCSCCCCCCCO 62a_200011292268_100000760002 [2,0,0,0,0,0|2,0,0]=4 1010 B13R0.54 CC(=O)CCCCCCCCCCO 1458a_100000070787_100009813290 [2,0,0,0,0,0|2,0,0]=4 1011 B13R0.54 CCCCCC/C=C/COCC(=O)N 34a_200016276170_100000187820 [2,0,0,0,0,0|2,0,0]=4 1012 B13R0.54 CCCCCC/C=C/COCC(=O)N 7a_200016276170_100000187820 [2,0,0,0,0,0|2,0,0]=4 1013 B13R0.54 CCCCCC/C=C/COCC(=O)[O-] 34a_200016276170_100020667443 [2,0,0,0,0,0|1,0,1]=4 1014 B13R0.54 CCCCCCCCCCCC(=O)C 1458a_100000070787_100011215454 [2,0,0,0,0,0|1,0,0]=3 1015 B13R0.54 CCCCCCCCCCCC(=O)C 1458a_100000210736_200000210301 [2,0,0,0,0,0|1,0,0]=3 1016 B13R0.54 CCCCCCCCCCCC(=O)[13CH3] 1458a_100000210736_200025704644 [2,0,0,0,0,0|1,0,0]=3 1017 B13R0.54 CCCCCCCCCCNC(=O)C 11a_100000684558_100015343762 [2,0,0,0,0,0|2,0,0]=4 1018 B13R0.54 CCCCCCCCCCNC(=O)C 1626a_100000684558_100015343762 [2,0,0,0,0,0|2,0,0]=4 1019 B13R0.54 CCCCCCCCCCNC(=O)C 240690a_100000684558_100015343762 [2,0,0,0,0,0|2,0,0]=4 1020 B13R0.54 CCCCCCCCCCNC(=O)C 527a_100000684558_100103153847 [2,0,0,0,0,0|2,0,0]=4 1021 B13R0.54 CCCCCCCCCNCC(=O)N 2230a_100000212291_100000747473 [2,0,0,0,0,0|2,0,0]=4 1022 B13R0.54 CCCCCCCCCNCC(=O)N 2230a_100000711301_100011214924 [2,0,0,0,0,0|2,0,0]=4 1023 B13R0.54 CCCCCCCCCNCC(=O)N 34a_100000212291_100000187820 [2,0,0,0,0,0|2,0,0]=4 1024 B13R0.54 CCCCCCCCCNCC(=O)O 269956a_100016091260_100000210670 [2,0,0,0,0,0|1,0,0]=3 1025 B13R0.54 CCCCCCCCCNCC(=O)[O-] 34a_100000212291_100020667443 [2,0,0,0,0,0|1,0,1]=4 1026 B13R0.54 CCCCCCCCCOCC(=O)C 34a_100000211253_100011214924 [2,0,0,0,0,0|2,0,0]=4 1027 B13R0.54 CCCCCCCCCOCC(=O)N 34a_100000210712_100000187820 [2,0,0,0,0,0|2,0,0]=4 1028 B13R0.54 CCCCCCCCCOCC(=O)N 7a_100000210712_100000187820 [2,0,0,0,0,0|2,0,0]=4 1029 B13R0.54 CCCCCCCCCOCC(=O)[O-] 34a_100000210712_100020667443 [2,0,0,0,0,0|1,0,1]=4 1030 B13R0.54 CCCCCCCCCSCC(=O)N 62a_100000747473_100000210670 [2,0,0,0,0,0|2,0,0]=4 1031 B13R0.54 CCCCCCCCCSCC(=O)[O-] 62a_100020667443_100000210670 [2,0,0,0,0,0|1,0,1]=4 1032 B13R0.54 CCCCCCCCNCCC(=O)N 2230a_100000229939_100000744528 [2,0,0,0,0,0|2,0,0]=4 1033 B13R0.54 CCCCCCCCNCCC(=O)N 34a_100000229939_100000731001 [2,0,0,0,0,0|2,0,0]=4 1034 B13R0.54 CCCCCCCCNOCC(=O)O 269956a_100000106656_100000210759 [2,0,0,0,0,0|2,0,0]=4 1035 B13R0.54 CCCCCCCCOCCC(=O)C 34a_100000759926_100000210759 [2,0,0,0,0,0|2,0,0]=4 1036 B13R0.54 CCCCCCCCOCCC(=O)C 7a_100000210232_100000053229 [2,0,0,0,0,0|2,0,0]=4 1037 B13R0.54 CCCCCCCCOCCC(=O)C 7a_100000759926_100000210759 [2,0,0,0,0,0|2,0,0]=4 1038 B13R0.54 CCCCCCCCOCCC(=O)N 34a_100000210232_100000731001 [2,0,0,0,0,0|2,0,0]=4 1039 B13R0.54 CCCCCCCCOCCC(=O)N 34a_100000757172_100000210759 [2,0,0,0,0,0|2,0,0]=4 1040 B13R0.54 CCCCCCCCOCCC(=O)N 7a_100000210232_100000744528 [2,0,0,0,0,0|2,0,0]=4 1041 B13R0.54 CCCCCCCCOCCC(=O)N 7a_100000757172_100000210759 [2,0,0,0,0,0|2,0,0]=4 1042 B13R0.54 CCCCCCCCSCCC(=O)C 62a_100000053229_100000210317 [2,0,0,0,0,0|2,0,0]=4 1043 B13R0.54 CCCCCCCCSCCC(=O)C 62a_100000210759_100000053229 [2,0,0,0,0,0|2,0,0]=4 1044 B13R0.54 CCCCCCCCSCCC(=O)N 62a_100000210759_100000744528 [2,0,0,0,0,0|2,0,0]=4 1045 B13R0.54 CCCCCCCCSCCC(=O)N 62a_100000744528_100000210317 [2,0,0,0,0,0|2,0,0]=4 1046 B13R0.54 CCCCCCCNCCCC(=O)N 34a_100000739312_100000210614 [2,0,0,0,0,0|2,0,0]=4 1047 B13R0.54 CCCCCCCOCCCC(=O)C 34a_100000210272_100000685027 [2,0,0,0,0,0|2,0,0]=4 1048 B13R0.54 CCCCCCCOCCCC(=O)C 34a_100000759063_100000210614 [2,0,0,0,0,0|2,0,0]=4 1049 B13R0.54 CCCCCCCOCCCC(=O)C 7a_100000210272_100011215641 [2,0,0,0,0,0|2,0,0]=4 1050 B13R0.54 CCCCCCCOCCCC(=O)C 7a_100000759063_100000210614 [2,0,0,0,0,0|2,0,0]=4 1051 B13R0.54 CCCCCCCOCCCC(=O)N 34a_100000210272_100102525003 [2,0,0,0,0,0|2,0,0]=4 1052 B13R0.54 CCCCCCCOCCCC(=O)N 7a_100000210272_100102525003 [2,0,0,0,0,0|2,0,0]=4 1053 B13R0.54 CCCCCCCSCCCC(=O)C 62a_100000210614_100011215641 [2,0,0,0,0,0|2,0,0]=4 1054 B13R0.54 CCCCCCCSCCCC(=O)C 62a_100011215641_100000210316 [2,0,0,0,0,0|2,0,0]=4 1055 B13R0.54 CCCCCCCSCCCC(=O)N 62a_100000210614_100102525003 [2,0,0,0,0,0|2,0,0]=4 1056 B13R0.54 CCCCCCCSCCCC(=O)N 62a_100102525003_100000210316 [2,0,0,0,0,0|2,0,0]=4 1057 B13R0.54 CCCCCCNCCCCC(=O)N 34a_100000696515_100000210314 [2,0,0,0,0,0|2,0,0]=4 1058 B13R0.54 CCCCCCNCCOCC(=O)O 269956a_100000700818_100000210757 [2,0,0,0,0,0|2,0,0]=4 1059 B13R0.54 CCCCCCOCCCCC(=O)C 34a_100000210259_100009817362 [2,0,0,0,0,0|2,0,0]=4 1060 B13R0.54 CCCCCCOCCCCC(=O)C 7a_100000210259_100000735457 [2,0,0,0,0,0|2,0,0]=4 1061 B13R0.54 CCCCCCOCCCCC(=O)N 34a_100012022536_100000210314 [2,0,0,0,0,0|2,0,0]=4 1062 B13R0.54 CCCCCCOCCCCC(=O)N 7a_100012022536_100000210314 [2,0,0,0,0,0|2,0,0]=4 1063 B13R0.54 CCCCCCSCCCCC(=O)C 62a_100000210314_100000735457 [2,0,0,0,0,0|2,0,0]=4 1064 B13R0.54 CCCCCCSCCCCC(=O)C 62a_100000735457_100000210757 [2,0,0,0,0,0|2,0,0]=4 1065 B13R0.54 CCCCCNCCCCCC(=O)N 2230a_100000209983_100009817443 [2,0,0,0,0,0|2,0,0]=4 1066 B13R0.54 CCCCCOCCCCCC(=O)N 34a_100000123541_100000718602 [2,0,0,0,0,0|2,0,0]=4 1067 B13R0.54 CCCCCOCCCCCC(=O)N 34a_100000210253_100009817443 [2,0,0,0,0,0|2,0,0]=4 1068 B13R0.54 CCCCCOCCCCCC(=O)N 7a_100000123541_100000210326 [2,0,0,0,0,0|2,0,0]=4 1069 B13R0.54 CCCCCOCCCCCC(=O)N 7a_100000210253_100009817443 [2,0,0,0,0,0|2,0,0]=4 1070 B13R0.54 CCCCCOCCCCCC(=O)[O-] 7a_100102619762_100000210326 [2,0,0,0,0,0|1,0,1]=4 1071 B13R0.54 CCCCCSCCCCCC(=O)N 62a_100000210326_100009817443 [2,0,0,0,0,0|2,0,0]=4 1072 B13R0.54 CCCCCSCCCCCC(=O)N 62a_100009817443_100000210326 [2,0,0,0,0,0|2,0,0]=4 1073 B13R0.54 O=C(O)CNCCCCCCCCO 269956a_100016091260_100000033203 [2,0,0,0,0,0|2,0,0]=4 1074 B15R0.70 C#CCCOC/C=C/CCCCCCCC 34a_200020667288_100000688953 [1,1,0,0,0,0|1,0,1]=4 1075 B15R0.70 C#CCCOC/C=C/CCCCCCCC 7a_200020667288_100000688953 [1,1,0,0,0,0|1,0,1]=4 1076 B15R0.70 C/C=C/COC/C=C/CCCCCCCC 34a_200020667288_100102629194 [1,1,0,0,0,0|1,0,1]=4 1077 B15R0.70 C/C=C/COC/C=C/CCCCCCCC 7a_200020667288_100102629194 [1,1,0,0,0,0|1,0,1]=4 1078 B15R0.70 C=CCCC/C=C/COCCCCCCC 34a_200016268473_100000210614 [1,1,0,0,0,0|1,0,0]=3 1079 B15R0.70 C=CCCC/C=C/COCCCCCCC 7a_200016268473_100000210614 [1,1,0,0,0,0|1,0,0]=3 1080 B15R0.70 C=CCCC/C=C/COCCCCCCF 34a_200016268473_100015922095 [1,1,0,0,0,0|2,0,0]=4 1081 B15R0.70 C=CCCC/C=C/COCCCCCCF 7a_200016268473_100015922095 [1,1,0,0,0,0|2,0,0]=4 1082 B15R0.70 C=CCCC/C=C/COCCCCCCO 34a_200016268473_100000766143 [1,1,0,0,0,0|2,0,0]=4 1083 B15R0.70 C=CCCC/C=C/COCCCCCCO 7a_200016268473_100000766143 [1,1,0,0,0,0|2,0,0]=4 1084 B15R0.70 C=CCCC/C=C/COCCOCCCC 34a_200016268473_100000743108 [1,1,0,0,0,0|2,0,0]=4 1085 B15R0.70 C=CCCC/C=C/COCCOCCCC 7a_200016268473_100000743108 [1,1,0,0,0,0|2,0,0]=4 1086 B15R0.70 C=CCCOC/C=C/CCCCCCCC 34a_200020667288_100000754431 [1,1,0,0,0,0|1,0,0]=3 1087 B15R0.70 C=CCCOC/C=C/CCCCCCCC 7a_200020667288_100000754431 [1,1,0,0,0,0|1,0,0]=3 1088 B15R0.70 C=CCOC/C=C/CCCCCCCCC 34a_100015232335_100015514636 [1,1,0,0,0,0|2,0,0]=4 1089 B15R0.70 C=CCOC/C=C/CCCCCCCCC 7a_100015232335_100015514636 [1,1,0,0,0,0|2,0,0]=4 1090 B15R0.70 CC=CCOC/C=C/CCCCCCCC 34a_200020667288_100000070051 [1,1,0,0,0,0|1,0,1]=4 1091 B15R0.70 CC=CCOC/C=C/CCCCCCCC 7a_200020667288_100000070051 [1,1,0,0,0,0|1,0,1]=4 1092 B15R0.70 CCCCCCC/C=C/C=C/COCC=O 34a_200025756345_200009817547 [1,1,0,0,0,0|0,0,2]=4 1093 B15R0.70 CCCCCCC/C=C/C=C/COCC=O 7a_200025756345_200015260668 [1,1,0,0,0,0|0,0,2]=4 1094 B15R0.70 CCCCCCCC/C=C/COCCC#N 7a_200020667288_100000184422 [1,1,0,0,0,0|1,0,1]=4 1095 B15R0.70 CCCCCCCC/C=C/COCCCF 34a_200020667288_100011934791 [1,1,0,0,0,0|1,0,1]=4 1096 B15R0.70 CCCCCCCC/C=C/COCCCF 7a_200020667288_100011934791 [1,1,0,0,0,0|1,0,1]=4 1097 B15R0.70 CCCCCCCC/C=C/COCCCO 34a_200020667288_100000230001 [1,1,0,0,0,0|0,0,1]=3 1098 B15R0.70 CCCCCCCC/C=C/COCCCO 7a_200020667288_100011215043 [1,1,0,0,0,0|0,0,1]=3 1099 B15R0.70 CCCCCCCC/C=C/COCCOC 34a_200020667288_100011201679 [1,1,0,0,0,0|1,0,1]=4 1100 B15R0.70 CCCCCCCC/C=C/COCCOC 7a_200020667288_100000233755 [1,1,0,0,0,0|1,0,1]=4 1101 B15R0.70 CCCCCCCC/C=C/COCCSC 34a_200020667288_100000212216 [1,1,0,0,0,0|2,0,0]=4 1102 B15R0.70 CCCCCCCC/C=C/COCCSC 7a_200020667288_100000212216 [1,1,0,0,0,0|2,0,0]=4 1103 B15R0.70 CCCCCCCCC/C=C/COCC=O 34a_100015232335_200009817547 [1,1,0,0,0,0|1,0,0]=3 1104 B15R0.70 CCCCCCCCC/C=C/COCC=O 7a_100015232335_200015260668 [1,1,0,0,0,0|1,0,0]=3 1105 B15R0.70 CCCCCCCCC/C=C/COCCO 34a_100015232335_100000211926 [1,1,0,0,0,0|1,0,1]=4 1106 B15R0.70 CCCCCCCCC/C=C/COCCO 7a_100015232335_100000211926 [1,1,0,0,0,0|1,0,1]=4 1107 B15R0.70 CCCCCCCCCCCCNCC=O 2230a_100000210451_200015260668 [1,1,0,0,0,0|0,0,2]=4 1108 B15R0.70 CCCCCCCCCCCCNCC=O 34a_100000210451_200009817547 [1,1,0,0,0,0|0,0,2]=4 1109 B15R0.70 CCCCCCCCCCCCOCC=O 34a_100000210810_200009817547 [1,1,0,0,0,0|0,0,2]=4 1110 B15R0.70 CCCCCCCCCCCCOCC=O 7a_100000210810_200015260668 [1,1,0,0,0,0|0,0,2]=4 1111 B15R0.70 CCCCCCCCCCCCSCC=O 62a_200015260668_100000759014 [1,1,0,0,0,0|0,0,2]=4 1112 B15R0.70 CCCCCCCCCCNCCCC=O 2230a_100000684558_200011292268 [1,1,0,0,0,0|0,0,2]=4 1113 B15R0.70 CCCCCCCCCCOCCCC=O 7a_100000210711_200011292268 [1,1,0,0,0,0|0,0,2]=4 1114 B15R0.70 CCCCCCCCCCSCCCC=O 62a_200011292268_100000210320 [1,1,0,0,0,0|0,0,2]=4 1115 B15R0.70 CCCCCCCCCNCCCCC=O 2230a_100000212291_100000139335 [1,1,0,0,0,0|0,0,2]=4 1116 B15R0.70 CCCCCCCCCOCCCCC=O 7a_100000210712_100000139335 [1,1,0,0,0,0|0,0,2]=4 1117 B15R0.70 CCCCCCCCCSCCCCC=O 62a_100000139335_100000210670 [1,1,0,0,0,0|0,0,2]=4 1118 B15R0.70 CCCCCCCCNCCCCCC=O 2230a_100000229939_100000139337 [1,1,0,0,0,0|0,0,2]=4 1119 B15R0.70 CCCCCCCCOCCCCCC=O 7a_100000210232_100000139337 [1,1,0,0,0,0|0,0,2]=4 1120 B15R0.70 CCCCCCCCSCCCCCC=O 62a_100000139337_100000210317 [1,1,0,0,0,0|0,0,2]=4 1121 B15R0.70 CCCCCCCCSCCCCCC=O 62a_100000210759_100000139337 [1,1,0,0,0,0|0,0,2]=4 1122 B15R0.70 CCCCCCOCCOCCCCC=O 7a_100000691444_100000139335 [1,1,0,0,0,0|1,0,1]=4 1123 B15R0.70 CCCCOCCCCOCCCCC=O 7a_200000760531_100000139335 [1,1,0,0,0,0|1,0,1]=4 1124 B15R0.70 O=CCCCCNCCCCCCCCO 2230a_102515433106_100000139335 [1,1,0,0,0,0|1,0,1]=4 1125 B15R0.70 O=CCCCCOCCCCCCCCBr 7a_100009813846_100000139335 [1,1,0,0,0,0|1,0,1]=4 1126 B15R0.70 O=CCCCCOCCCCCCCCCl 7a_100000033203_100000139335 [1,1,0,0,0,0|1,0,1]=4 1127 B15R0.70 O=CCCCCSCCCCCCCCO 62a_100000033203_100000139335 [1,1,0,0,0,0|1,0,1]=4 1128 B15R0.70 O=CCCCCSCCCCCCCCO 62a_100000139335_100000033203 [1,1,0,0,0,0|1,0,1]=4 1129 B15R0.70 O=CCCCNCCCCCCCCCO 2230a_100000078944_200011292268 [1,1,0,0,0,0|1,0,1]=4 1130 B15R0.70 O=CCCCOCCCCCCCCCBr 7a_100009813782_200011292268 [1,1,0,0,0,0|1,0,1]=4 1131 B15R0.70 O=CCCCOCCCCCCCCCCl 7a_100009868337_200011292268 [1,1,0,0,0,0|1,0,1]=4 1132 B15R0.70 O=CCCCSCCCCCCCCCO 62a_100009813782_200011292268 [1,1,0,0,0,0|1,0,1]=4 1133 B15R0.70 O=CCCCSCCCCCCCCCO 62a_200011292268_100009813782 [1,1,0,0,0,0|1,0,1]=4 1134 B15R0.81 CCC(C)CCCCCOCCCCC=O 7a_200000035636_100000139335 [1,1,0,0,0,0|1,0,1]=4 1135 B15R0.81 CCCCCCCC/C=C/COC(C)CO 34a_200020667288_100012180447 [1,1,0,0,0,0|1,0,1]=4 1136 B15R0.81 CCCCCCCC/C=C/COC(C)CO 7a_200020667288_100012180447 [1,1,0,0,0,0|1,0,1]=4 1137 B15R0.133 CCCCCCCC(C)OCCCCC=O 7a_200011215852_100000139335 [1,1,0,0,0,0|1,0,1]=4 1138 B15R0.133 CCCCCCCC(C)SCCCCC=O 62a_100000139335_200011218727 [1,1,0,0,0,0|1,0,1]=4 1139 B15R0.133 CCCCCCCC(C)SCCCCC=O 62a_200011218727_100000139335 [1,1,0,0,0,0|1,0,1]=4 1140 B15R0.149 C=CCCCNC(=O)CCCCCCCC 11a_100000700776_100000210188 [1,1,0,0,0,0|2,0,0]=4 1141 B15R0.149 C=CCCCNC(=O)CCCCCCCC 1626a_100000700776_100000210188 [1,1,0,0,0,0|2,0,0]=4 1142 B15R0.149 C=CCCCNC(=O)CCCCCCCC 240690a_100000700776_100000210188 [1,1,0,0,0,0|2,0,0]=4 1143 B15R0.149 C=CCCCNC(=O)CCCCCCCC 527a_100000700776_100000210188 [1,1,0,0,0,0|2,0,0]=4 1144 B15R0.149 CCCCCCC(C)CCOCCCC=O 7a_200011024964_200011292268 [1,1,0,0,0,0|1,0,1]=4 1145 B15R0.149 CCCCCCCCC(=O)CCCCCO 1458a_100000210188_100000746330 [1,1,0,0,0,0|0,0,2]=4 1146 B15R0.149 CCCCCCCCC(=O)CCCCCO 1458a_100102619762_100000210759 [1,1,0,0,0,0|0,0,2]=4 1147 B15R0.149 CCCCCCCCC(=O)NCCCCO 240690a_100000750430_100000210188 [1,1,0,0,0,0|1,0,1]=4 1148 B15R0.149 CCCCCCCCC(=O)NCCCCO 527a_100000750430_100000210188 [1,1,0,0,0,0|1,0,1]=4 1149 B15R0.149 CCCCCCCCC(C)OCCCC=O 7a_100000210740_200011292268 [1,1,0,0,0,0|1,0,1]=4 1150 B15R0.149 CCCCCCCCN(C)CCCCC=O 2230a_100000207567_100000139335 [1,1,0,0,0,0|1,0,1]=4 1151 B15R0.149 CCCCCCCCN(C)CCCCC=O 269982a_100000207567_100000139335 [1,1,0,0,0,0|1,0,1]=4 1152 B15R0.322 C=CCCC/C=C/COC(C)CCCCC 34a_200016268473_200011218191 [1,1,0,0,0,0|2,0,0]=4 1153 B15R0.322 C=CCCC/C=C/COC(C)CCCCC 7a_200016268473_200011218191 [1,1,0,0,0,0|2,0,0]=4 1154 B15R0.322 C=CCCCC(=O)C=CCCCCCCC 1458a_200015332781_100000757094 [1,1,0,0,0,0|1,0,1]=4 1155 B15R0.322 C=CCCCC(=O)NCCCCCCCC 11a_100000229939_100000766728 [1,1,0,0,0,0|2,0,0]=4 1156 B15R0.322 C=CCCCC(=O)NCCCCCCCC 1626a_100000229939_100000766728 [1,1,0,0,0,0|2,0,0]=4 1157 B15R0.322 C=CCCCC(=O)NCCCCCCCC 240690a_100000229939_100000766728 [1,1,0,0,0,0|2,0,0]=4 1158 B15R0.322 C=CCCCC(=O)NCCCCCCCC 527a_100000229939_100000766728 [1,1,0,0,0,0|2,0,0]=4 1159 B15R0.322 CCCCCCCC=CC(=O)CCCCO 1458a_200015332781_100000210776 [1,1,0,0,0,0|0,0,2]=4 1160 B15R0.322 CCCCCCCCCC(=O)CCCCO 1458a_100000210558_100000210776 [1,1,0,0,0,0|0,0,2]=4 1161 B15R0.322 CCCCCCCCCC(=O)CCCCO 1458a_100000695505_100000210670 [1,1,0,0,0,0|0,0,2]=4 1162 B15R0.322 CCCCCCCCCN(C)CCCC=O 2230a_100000232482_200011292268 [1,1,0,0,0,0|1,0,1]=4 1163 B15R0.322 CCCCCCCCCN(C)CCCC=O 269982a_100000232482_200011292268 [1,1,0,0,0,0|1,0,1]=4 1164 B15R0.322 CCCCCCCCNC(=O)CCCCO 1626a_100000229939_100000695505 [1,1,0,0,0,0|1,0,1]=4 1165 B15R0.2002 C=CCCC(=O)C=CCCCCCCCC 1458a_100015345288_100000754431 [1,1,0,0,0,0|1,0,1]=4 1166 B15R0.2002 CCCCC(C)CCCCOCCCC=O 7a_200011021034_200011292268 [1,1,0,0,0,0|1,0,1]=4 1167 B15R0.2002 CCCCCCCCC=CC(=O)CCCO 1458a_100015345288_100011215043 [1,1,0,0,0,0|0,0,2]=4 1168 B15R0.69 CCCCCCCCC=CC(=O)CC(=O)N 1458a_100015345288_100000187820 [1,1,0,0,0,0|1,0,1]=4 1169 B15R0.69 CCCCCCCCC=CC(=O)CC(=O)[O-] 1458a_100015345288_100020667443 [1,1,0,0,0,0|0,0,2]=4 1170 B15R0.69 CCCCCCCCCCN(C)CC(=O)O 269956a_100000746989_100000210320 [1,1,0,0,0,0|1,0,1]=4 1171 B15R0.69 CCCCCCCCNCC(O)CC(=O)O 269956a_100011218706_100000210759 [1,1,0,0,0,0|1,0,0]=3 1172 B15R0.69 COCCCCCCNCC(O)CC(=O)O 269956a_100011218706_100011998445 [1,1,0,0,0,0|2,0,0]=4 1173 B15R0.69 O=C(O)CC(O)CNCCCCCCCO 269956a_100011218706_100000760002 [1,1,0,0,0,0|2,0,0]=4 1174 B15R0.84 CCCCCCCCCCN[C@@H](C)C(=O)O 269956a_100000743915_100000210320 [1,1,0,0,0,0|1,0,1]=4 1175 B15R0.84 CCCCCCCCCNCC(C)C(=O)O 269956a_100000749485_100000210670 [1,1,0,0,0,0|1,0,1]=4 1176 B15R0.84 CCCCCCCCCNCC(F)C(=O)O 269956a_100000084737_100000210670 [1,1,0,0,0,0|1,0,1]=4 1177 B15R0.88 CCCCCCCCCC(=O)CCC(=O)N 1458a_100011215257_100000210670 [1,1,0,0,0,0|1,0,1]=4 1178 B15R0.88 CCCCCCCCNC(=O)CCC(=O)N 240690a_100000229939_100011215257 [1,1,0,0,0,0|2,0,0]=4 1179 B15R0.88 CCCCCCCCNC(=O)CCC(=O)N 527a_100000229939_100011215257 [1,1,0,0,0,0|2,0,0]=4 1180 B15R0.129 CCCCCCCC(=O)CCCCC(=O)C 1458a_100000211969_100000735457 [1,1,0,0,0,0|1,0,1]=4 1181 B15R0.129 CCCCCCCC(=O)NCCCC(=O)N 240690a_100000739312_100000211969 [1,1,0,0,0,0|2,0,0]=4 1182 B15R0.129 CCCCCCCC(=O)NCCCC(=O)N 527a_100000739312_100000211969 [1,1,0,0,0,0|2,0,0]=4 1183 B15R0.129 CCCCCCCC(=O)OCNCC(=O)O 269956a_100016091260_100009852258 [1,1,0,0,0,0|2,0,0]=4 1184 B15R0.129 CCCCCCCC(C)NCCCC(=O)N 34a_100000739312_200011218727 [1,1,0,0,0,0|2,0,0]=4 1185 B15R0.129 CCCCCCCC(C)OCCCC(=O)C 34a_100000759063_200011218727 [1,1,0,0,0,0|2,0,0]=4 1186 B15R0.129 CCCCCCCC(C)OCCCC(=O)C 34a_200011215852_100000685027 [1,1,0,0,0,0|2,0,0]=4 1187 B15R0.129 CCCCCCCC(C)OCCCC(=O)C 7a_100000759063_200011218727 [1,1,0,0,0,0|2,0,0]=4 1188 B15R0.129 CCCCCCCC(C)OCCCC(=O)C 7a_200011215852_100011215641 [1,1,0,0,0,0|2,0,0]=4 1189 B15R0.129 CCCCCCCC(C)OCCCC(=O)N 34a_200011215852_100102525003 [1,1,0,0,0,0|2,0,0]=4 1190 B15R0.129 CCCCCCCC(C)OCCCC(=O)N 7a_200011215852_100102525003 [1,1,0,0,0,0|2,0,0]=4 1191 B15R0.129 CCCCCCCC(C)SCCCC(=O)C 62a_100011215641_200011218727 [1,1,0,0,0,0|2,0,0]=4 1192 B15R0.129 CCCCCCCC(C)SCCCC(=O)C 62a_200011218727_100011215641 [1,1,0,0,0,0|2,0,0]=4 1193 B15R0.129 CCCCCCCC(C)SCCCC(=O)N 62a_100102525003_200011218727 [1,1,0,0,0,0|2,0,0]=4 1194 B15R0.129 CCCCCCCC(C)SCCCC(=O)N 62a_200011218727_100102525003 [1,1,0,0,0,0|2,0,0]=4 1195 B15R0.222 CC(=O)CCCNCCCCCCC(C)C 34a_100000211014_100000685027 [1,1,0,0,0,0|2,0,0]=4 1196 B15R0.222 CC(C)CCCCCCNCCCC(=O)N 34a_100000211014_100102525003 [1,1,0,0,0,0|2,0,0]=4 1197 B15R0.247 CCC(C)CCCCCOCCCC(=O)C 7a_200000035636_100011215641 [1,1,0,0,0,0|2,0,0]=4 1198 B15R0.247 CCC(C)CCCCCOCCCC(=O)N 7a_200000035636_100102525003 [1,1,0,0,0,0|2,0,0]=4 1199 B15R0.367 CC(=O)CCCC(=O)CCCCCCCO 1458a_100011219782_100011215641 [1,1,0,0,0,0|2,0,0]=4 1200 B15R0.367 CCCCCCC=CC(=O)CCCC(=O)C 1458a_200015324643_100011215641 [1,1,0,0,0,0|1,0,1]=4 1201 B15R0.367 CCCCCCC=CC(=O)CCCC(=O)N 1458a_200015324643_100102525003 [1,1,0,0,0,0|1,0,1]=4 1202 B15R0.367 CCCCCCCCC(=O)CCCC(=O)C 1458a_100000210188_100011215641 [1,1,0,0,0,0|1,0,0]=3 1203 B15R0.367 CCCCCCCCC(=O)CCCC(=O)N 1458a_100000210188_100102525003 [1,1,0,0,0,0|1,0,0]=3 1204 B15R0.367 CCCCCCCCC(=O)CCCC(C)O 1458a_100000210188_200000718107 [1,1,0,0,0,0|1,0,1]=4 1205 B15R0.367 CCCCCCCCC(=O)CCC[N+](=O)[O-] 1458a_100016109205_100000210759 [1,1,0,0,0,0|1,0,1]=4 1206 B15R0.367 CCCCCCCCC(=O)CCNC(=O)C 1458a_100000183196_100000210759 [1,1,0,0,0,0|2,0,0]=4 1207 B15R0.367 CCCCCCCCC(=O)CCNC(=O)C 1458a_100000210188_100000189650 [1,1,0,0,0,0|2,0,0]=4 1208 B15R0.367 CCCCCCCCC(=O)CCNC(=O)N 1458a_100000181464_100000210759 [1,1,0,0,0,0|2,0,0]=4 1209 B15R0.367 CCCCCCCCC(=O)CCNC(=O)N 1458a_100000210188_200000034859 [1,1,0,0,0,0|2,0,0]=4 1210 B15R0.367 CCCCCCCCC(=O)CCOC(=O)C 1458a_100000210188_100009814007 [1,1,0,0,0,0|2,0,0]=4 1211 B15R0.367 CCCCCCCCC(=O)CCOC(=O)N 1458a_100000210188_200011214921 [1,1,0,0,0,0|2,0,0]=4 1212 B15R0.367 CCCCCCCCC(=O)CCSC(=O)C 1458a_100000048949_100000210759 [1,1,0,0,0,0|2,0,0]=4 1213 B15R0.367 CCCCCCCCC(=O)COCC(=O)N 1458a_100011219004_100000210759 [1,1,0,0,0,0|2,0,0]=4 1214 B15R0.367 CCCCCCCCC(=O)NCCC(=O)N 11a_100000740010_100000210188 [1,1,0,0,0,0|2,0,0]=4 1215 B15R0.367 CCCCCCCCC(=O)NCCC(=O)N 240690a_100000740010_100000210188 [1,1,0,0,0,0|2,0,0]=4 1216 B15R0.367 CCCCCCCCC(=O)NCCC(=O)N 527a_100000740010_100000210188 [1,1,0,0,0,0|2,0,0]=4 1217 B15R0.367 CCCCCCCCN(C)CCCC(=O)C 269982a_100000207567_100011215641 [1,1,0,0,0,0|2,0,0]=4 1218 B15R0.367 CCCCCCCCN(C)CCCC(=O)N 269982a_100000207567_100102525003 [1,1,0,0,0,0|2,0,0]=4 1219 B15R0.367 CCCCCCCCN(C)CCCC(=O)O 269956a_100000719178_100000210759 [1,1,0,0,0,0|1,0,0]=3 1220 B15R0.367 CN(CCCCCCCO)CCCC(=O)O 269956a_100000719178_100000760002 [1,1,0,0,0,0|2,0,0]=4 1221 B15R0.367 COCCCCCCN(C)CCCC(=O)O 269956a_100000719178_100011998445 [1,1,0,0,0,0|2,0,0]=4 1222 B15R0.367 NC(=O)CCCC(=O)CCCCCCCO 1458a_100011219782_100102525003 [1,1,0,0,0,0|2,0,0]=4 1223 B17R0.77 CCCCCCCC(C)OCCCCC(=O)OC 34a_100000059025_200011218727 [0,2,0,0,0,0|1,0,1]=4 1224 B17R0.77 CCCCCCCC(C)OCCCCC(=O)OC 34a_200011215852_100000204269 [0,2,0,0,0,0|1,0,1]=4 1225 B17R0.77 CCCCCCCC(C)OCCCCC(=O)OC 7a_100000059025_200011218727 [0,2,0,0,0,0|1,0,1]=4 1226 B17R0.77 CCCCCCCC(C)OCCCCC(=O)OC 7a_200011215852_100000204269 [0,2,0,0,0,0|1,0,1]=4 1227 B17R0.77 CCCCCCCC(C)SCCCCC(=O)OC 62a_100000204269_200011218727 [0,2,0,0,0,0|1,0,1]=4 1228 B17R0.77 CCCCCCCC(C)SCCCCC(=O)OC 62a_200011218727_100000204269 [0,2,0,0,0,0|1,0,1]=4 1229 B17R0.101 CCCCCCCCC(=O)CCCCCC(=O)N 1458a_100000210188_100009817443 [0,2,0,0,0,0|1,0,1]=4 1230 B17R0.101 CCCCCCCCC(=O)CCCCOC(=O)C 1458a_100000210188_100000033659 [0,2,0,0,0,0|1,0,1]=4 1231 B17R0.101 CCCCCCCCC(=O)CCCCSC(=O)C 1458a_100000210188_200010402107 [0,2,0,0,0,0|1,0,1]=4 1232 B17R0.101 CCCCCCCCC(=O)NCCCCC(=O)N 11a_100000696515_100000210188 [0,2,0,0,0,0|1,0,1]=4 1233 B17R0.101 CCCCCCCCC(=O)NCCCCC(=O)N 1626a_100000696515_100000210188 [0,2,0,0,0,0|1,0,1]=4 1234 B17R0.101 CCCCCCCCC(=O)NCCCCC(=O)N 240690a_100000696515_100000210188 [0,2,0,0,0,0|1,0,1]=4 1235 B17R0.101 CCCCCCCCC(=O)NCCCCC(=O)N 527a_100000696515_100000210188 [0,2,0,0,0,0|1,0,1]=4 1236 B17R0.101 CCCCCCCCC(=O)NCCCNC(=O)C 11a_100000736810_100000210188 [0,2,0,0,0,0|2,0,0]=4 1237 B17R0.101 CCCCCCCCC(=O)NCCCNC(=O)C 240690a_100000736810_100000210188 [0,2,0,0,0,0|2,0,0]=4 1238 B17R0.101 CCCCCCCCC(=O)NCCCNC(=O)C 527a_100000736810_100000210188 [0,2,0,0,0,0|2,0,0]=4 1239 B17R0.232 CCCCCCCC(O)CC(=O)CCCC(=O)C 1458a_200011667753_100011215641 [0,2,0,0,0,0|1,0,1]=4 1240 B17R0.232 CCCCCCCC(O)CC(=O)CCCC(=O)N 1458a_200011667753_100102525003 [0,2,0,0,0,0|1,0,1]=4 1241 B17R0.5801 CCCCC(C)CCCCOCCCC(=O)OC 34a_200011021034_100000742333 [0,2,0,0,0,0|1,0,1]=4 1242 B17R0.5801 CCCCC(C)CCCCOCCCC(=O)OC 7a_200011021034_100011218270 [0,2,0,0,0,0|1,0,1]=4 1243 B17R0.11645 CCC(C)CCCCCOCCCCC(=O)OC 7a_200000035636_100000204269 [0,2,0,0,0,0|1,0,1]=4 1244 B17R0.133 CCCCCCC(C)CCOCCCC(=O)OC 34a_200011024964_100000742333 [0,2,0,0,0,0|1,0,1]=4 1245 B17R0.133 CCCCCCC(C)CCOCCCC(=O)OC 7a_200011024964_100011218270 [0,2,0,0,0,0|1,0,1]=4 1246 B17R0.9420 CC(=O)CCCCC(=O)CCCCCCC(C)C 1458a_100000040743_100000735457 [0,2,0,0,0,0|1,0,1]=4 1247 B17R0.9420 CC(C)CCCCCCC(=O)NCCCC(=O)N 240690a_100000739312_100000040743 [0,2,0,0,0,0|2,0,0]=4 1248 B17R0.9420 CC(C)CCCCCCC(=O)NCCCC(=O)N 527a_100000739312_100000040743 [0,2,0,0,0,0|2,0,0]=4 1249 B17R0.97 CCCCCCCCC(=O)CCCCC(=O)OC 1458a_100000210188_100000204269 [0,2,0,0,0,0|0,0,1]=3 1250 B17R0.97 CCCCCCCCC(=O)CCCCC(=O)OC 1458a_100000695723_100000210759 [0,2,0,0,0,0|0,0,1]=3 1251 B17R0.97 CCCCCCCCC(=O)CCCNC(=O)OC 1458a_100000753017_100000210759 [0,2,0,0,0,0|1,0,1]=4 1252 B17R0.97 CCCCCCCCC(=O)CCOCC(=O)OC 1458a_100000210188_100000090808 [0,2,0,0,0,0|1,0,1]=4 1253 B17R0.97 CCCCCCCCC(=O)NCCCC(=O)NC 11a_100000740002_100000210188 [0,2,0,0,0,0|2,0,0]=4 1254 B17R0.97 CCCCCCCCC(=O)NCCCC(=O)NC 240690a_100000740002_100000210188 [0,2,0,0,0,0|2,0,0]=4 1255 B17R0.97 CCCCCCCCC(=O)NCCCC(=O)NC 527a_100000740002_100000210188 [0,2,0,0,0,0|2,0,0]=4 1256 B17R0.97 CCCCCCCCC(=O)NCCCC(=O)OC 188690a_100000184769_100000210188 [0,2,0,0,0,0|1,0,0]=3 1257 B17R0.97 CCCCCCCCC(C)OCCCC(=O)OC 34a_100000210740_100000742333 [0,2,0,0,0,0|1,0,1]=4 1258 B17R0.97 CCCCCCCCC(C)OCCCC(=O)OC 7a_100000210740_100011218270 [0,2,0,0,0,0|1,0,1]=4 1259 B17R0.97 CCCCCCCCN(C)CCCCC(=O)OC 2230a_100000207567_100000204269 [0,2,0,0,0,0|1,0,1]=4 1260 B17R0.97 CCCCCCCCN(C)CCCCC(=O)OC 269982a_100000207567_100000204269 [0,2,0,0,0,0|1,0,1]=4 1261 B17R0.97 CCCCCCCNC(=O)CCCCC(=O)OC 11a_100000229938_100000695723 [0,2,0,0,0,0|1,0,1]=4 1262 B17R0.97 CCCCCCCNC(=O)CCCCC(=O)OC 1626a_100000229938_100000695723 [0,2,0,0,0,0|1,0,1]=4 1263 B17R0.97 CCCCCCCNC(=O)CCCCC(=O)OC 240690a_100000229938_100000695723 [0,2,0,0,0,0|1,0,1]=4 1264 B17R0.97 CCCCCCCNC(=O)CCCCC(=O)OC 527a_100000229938_100000695723 [0,2,0,0,0,0|1,0,1]=4 1265 B17R0.97 CCCCCCNCC(=O)NCCCC(=O)OC 2230a_100000210581_100000230218 [0,2,0,0,0,0|2,0,0]=4 1266 B17R0.97 CCCCCCOCC(=O)NCCCC(=O)OC 34a_100000210259_100000230218 [0,2,0,0,0,0|2,0,0]=4 1267 B17R0.97 CCCCCCOCC(=O)NCCCC(=O)OC 7a_100000210259_100000230218 [0,2,0,0,0,0|2,0,0]=4 1268 B17R0.97 CCCCCCSCC(=O)NCCCC(=O)OC 62a_100000210314_100000230218 [0,2,0,0,0,0|2,0,0]=4 1269 B17R0.97 CCCCCCSCC(=O)NCCCC(=O)OC 62a_100000230218_100000210757 [0,2,0,0,0,0|2,0,0]=4 1270 B17R0.97 COC(=O)CCCCC(=O)CCCCCCCO 1458a_100000695723_100000760002 [0,2,0,0,0,0|1,0,1]=4 1271 B17R0.97 COC(=O)CCCCC(=O)CCCCCCCO 1458a_100011219782_100000204269 [0,2,0,0,0,0|1,0,1]=4 1272 B17R0.97 COC(=O)CCCNC(=O)CCCCCCCO 188690a_100000184769_100011219782 [0,2,0,0,0,0|2,0,0]=4 1273 B17R0.97 COCCCCCCC(=O)CCCCC(=O)OC 1458a_100000695723_100011998445 [0,2,0,0,0,0|1,0,1]=4 1274 B17R0.195 CCCCCC/C=C/C=C/COCCC(=O)OC 34a_200028454808_100000742370 [0,2,0,0,0,0|0,0,2]=4 1275 B17R0.195 CCCCCC/C=C/C=C/COCCC(=O)OC 7a_200028454808_100000204255 [0,2,0,0,0,0|0,0,2]=4 1276 B17R0.195 CCCCCCC/C=C/C=C/COCC(=O)OC 34a_200025756345_100000747449 [0,2,0,0,0,0|0,0,2]=4 1277 B17R0.195 CCCCCCC/C=C/C=C/COCC(=O)OC 7a_200025756345_100000747449 [0,2,0,0,0,0|0,0,2]=4 1278 B17R0.195 CCCCCCCC/C=C/COCCC(=O)NC 34a_200020667288_100012179268 [0,2,0,0,0,0|1,0,0]=3 1279 B17R0.195 CCCCCCCC/C=C/COCCC(=O)NC 7a_200020667288_100000737683 [0,2,0,0,0,0|1,0,0]=3 1280 B17R0.195 CCCCCCCC/C=C/COCCC(=O)OC 34a_200020667288_100000742370 [0,2,0,0,0,0|0,0,0]=2 1281 B17R0.195 CCCCCCCC/C=C/COCCC(=O)OC 7a_200020667288_100000204255 [0,2,0,0,0,0|0,0,0]=2 1282 B17R0.195 CCCCCCCCC/C=C/COCC(=O)CC 7a_100015232335_100000747405 [0,2,0,0,0,0|2,0,0]=4 1283 B17R0.195 CCCCCCCCC/C=C/COCC(=O)NC 34a_100015232335_100000183359 [0,2,0,0,0,0|2,0,0]=4 1284 B17R0.195 CCCCCCCCC/C=C/COCC(=O)NC 7a_100015232335_100000183359 [0,2,0,0,0,0|2,0,0]=4 1285 B17R0.195 CCCCCCCCC/C=C/COCC(=O)OC 34a_100015232335_100000747449 [0,2,0,0,0,0|1,0,0]=3 1286 B17R0.195 CCCCCCCCC/C=C/COCC(=O)OC 7a_100015232335_100000747449 [0,2,0,0,0,0|1,0,0]=3 1287 B17R0.195 CCCCCCCCCCCCCCC(=O)CO 1458a_100000210174_100011215471 [0,2,0,0,0,0|0,0,2]=4 1288 B17R0.195 CCCCCCCCCCCCCNC(=O)CO 240690a_100011215765_100000210174 [0,2,0,0,0,0|0,0,2]=4 1289 B17R0.195 CCCCCCCCCCCCCNC(=O)CO 527a_100011215765_100000210174 [0,2,0,0,0,0|0,0,2]=4 1290 B17R0.195 CCCCCCCCCCCCNCC(=O)OC 2230a_100000210451_100000747449 [0,2,0,0,0,0|0,0,2]=4 1291 B17R0.195 CCCCCCCCCCCCNCC(=O)OC 34a_100000210451_100000747449 [0,2,0,0,0,0|0,0,2]=4 1292 B17R0.195 CCCCCCCCCCCCOCC(=O)OC 34a_100000210810_100000747449 [0,2,0,0,0,0|0,0,2]=4 1293 B17R0.195 CCCCCCCCCCCCOCC(=O)OC 7a_100000210810_100000747449 [0,2,0,0,0,0|0,0,2]=4 1294 B17R0.195 CCCCCCCCCCCCSCC(=O)OC 62a_100000747449_100000759014 [0,2,0,0,0,0|0,0,2]=4 1295 B17R0.195 CCCCCCCCCCCNCCC(=O)OC 2230a_200011215754_100000204255 [0,2,0,0,0,0|0,0,2]=4 1296 B17R0.195 CCCCCCCCCCCNCCC(=O)OC 34a_200011215754_100000742370 [0,2,0,0,0,0|0,0,2]=4 1297 B17R0.195 CCCCCCCCCCCOCCC(=O)OC 34a_100000210809_100000742370 [0,2,0,0,0,0|0,0,2]=4 1298 B17R0.195 CCCCCCCCCCCOCCC(=O)OC 7a_100000210809_100000204255 [0,2,0,0,0,0|0,0,2]=4 1299 B17R0.195 CCCCCCCCCCCSCCC(=O)OC 62a_100000204255_100011215454 [0,2,0,0,0,0|0,0,2]=4 1300 B17R0.195 CCCCCCCCCCNCCCC(=O)OC 2230a_100000684558_100011218270 [0,2,0,0,0,0|0,0,2]=4 1301 B17R0.195 CCCCCCCCCCNCCCC(=O)OC 34a_100000684558_100000742333 [0,2,0,0,0,0|0,0,2]=4 1302 B17R0.195 CCCCCCCCCCOCCCC(=O)OC 34a_100000210711_100000742333 [0,2,0,0,0,0|0,0,2]=4 1303 B17R0.195 CCCCCCCCCCOCCCC(=O)OC 7a_100000210711_100011218270 [0,2,0,0,0,0|0,0,2]=4 1304 B17R0.195 CCCCCCCCCCSCCCC(=O)OC 62a_100011218270_100000210320 [0,2,0,0,0,0|0,0,2]=4 1305 B17R0.195 CCCCCCCCCNCCCCC(=O)OC 2230a_100000212291_100000204269 [0,2,0,0,0,0|0,0,2]=4 1306 B17R0.195 CCCCCCCCCNCCCCC(=O)OC 34a_100000212291_100000204269 [0,2,0,0,0,0|0,0,2]=4 1307 B17R0.195 CCCCCCCCCNCCOCC(=O)OC 2230a_100000212291_100000090808 [0,2,0,0,0,0|1,0,1]=4 1308 B17R0.195 CCCCCCCCCNCCOCC(=O)OC 34a_100000212291_100000090808 [0,2,0,0,0,0|1,0,1]=4 1309 B17R0.195 CCCCCCCCCOCCCCC(=O)OC 34a_100000059025_100011214924 [0,2,0,0,0,0|0,0,2]=4 1310 B17R0.195 CCCCCCCCCOCCCCC(=O)OC 34a_100000210712_100000204269 [0,2,0,0,0,0|0,0,2]=4 1311 B17R0.195 CCCCCCCCCOCCCCC(=O)OC 7a_100000059025_100000210328 [0,2,0,0,0,0|0,0,2]=4 1312 B17R0.195 CCCCCCCCCOCCCCC(=O)OC 7a_100000210712_100000204269 [0,2,0,0,0,0|0,0,2]=4 1313 B17R0.195 CCCCCCCCCOCCOCC(=O)OC 34a_100000210712_100000090808 [0,2,0,0,0,0|1,0,1]=4 1314 B17R0.195 CCCCCCCCCOCCOCC(=O)OC 7a_100000210712_100000090808 [0,2,0,0,0,0|1,0,1]=4 1315 B17R0.195 CCCCCCCCCSCCCCC(=O)OC 62a_100000204269_100000210670 [0,2,0,0,0,0|0,0,2]=4 1316 B17R0.195 CCCCCCCCCSCCOCC(=O)OC 62a_100000090808_100000210670 [0,2,0,0,0,0|1,0,1]=4 1317 B17R0.195 CCCCCCCCNCCCCCC(=O)OC 2230a_100000229939_100009816466 [0,2,0,0,0,0|0,0,2]=4 1318 B17R0.195 CCCCCCCCNCCCCCC(=O)OC 34a_100000229939_100009816466 [0,2,0,0,0,0|0,0,2]=4 1319 B17R0.195 CCCCCCCCOCCCCCC(=O)OC 34a_100000074720_100000210759 [0,2,0,0,0,0|0,0,2]=4 1320 B17R0.195 CCCCCCCCOCCCCCC(=O)OC 34a_100000210232_100009816466 [0,2,0,0,0,0|0,0,2]=4 1321 B17R0.195 CCCCCCCCOCCCCCC(=O)OC 7a_100000074720_100000210759 [0,2,0,0,0,0|0,0,2]=4 1322 B17R0.195 CCCCCCCCOCCCCCC(=O)OC 7a_100000210232_100009816466 [0,2,0,0,0,0|0,0,2]=4 1323 B17R0.195 CCCCCCCCSCCCCCC(=O)OC 62a_100000210759_100009816466 [0,2,0,0,0,0|0,0,2]=4 1324 B17R0.195 CCCCCCCCSCCCCCC(=O)OC 62a_100009816466_100000210317 [0,2,0,0,0,0|0,0,2]=4 1325 B17R0.195 CCCCCCCNCCCCCCC(=O)OC 2230a_100000229938_100009815986 [0,2,0,0,0,0|0,0,2]=4 1326 B17R0.195 CCCCCCCOCCCCCCC(=O)OC 34a_100000210272_100009815986 [0,2,0,0,0,0|0,0,2]=4 1327 B17R0.195 CCCCCCCOCCCCCCC(=O)OC 34a_100009863599_100000210614 [0,2,0,0,0,0|0,0,2]=4 1328 B17R0.195 CCCCCCCOCCCCCCC(=O)OC 7a_100000210272_100009815986 [0,2,0,0,0,0|0,0,2]=4 1329 B17R0.195 CCCCCCCOCCCCCCC(=O)OC 7a_100009863599_100000210614 [0,2,0,0,0,0|0,0,2]=4 1330 B17R0.195 CCCCCCCSCCCCCCC(=O)OC 62a_100000210614_100009815986 [0,2,0,0,0,0|0,0,2]=4 1331 B17R0.195 CCCCCCCSCCCCCCC(=O)OC 62a_100009815986_100000210316 [0,2,0,0,0,0|0,0,2]=4 1332 B17R0.195 CCCCCCNCCCCCCCC(=O)OC 2230a_100000210581_100010004213 [0,2,0,0,0,0|0,0,2]=4 1333 B17R0.195 CCCCCCOCCCCCCCC(=O)OC 34a_100000210259_100010004213 [0,2,0,0,0,0|0,0,2]=4 1334 B17R0.195 CCCCCCOCCCCCCCC(=O)OC 34a_100011022521_100000210314 [0,2,0,0,0,0|0,0,2]=4 1335 B17R0.195 CCCCCCOCCCCCCCC(=O)OC 7a_100000210259_100010004213 [0,2,0,0,0,0|0,0,2]=4 1336 B17R0.195 CCCCCCOCCCCCCCC(=O)OC 7a_100011022521_100000210314 [0,2,0,0,0,0|0,0,2]=4 1337 B17R0.195 CCCCCCOCCOCCCCC(=O)OC 34a_100000691444_100000204269 [0,2,0,0,0,0|1,0,1]=4 1338 B17R0.195 CCCCCCOCCOCCCCC(=O)OC 7a_100000691444_100000204269 [0,2,0,0,0,0|1,0,1]=4 1339 B17R0.195 CCCCCCSCCCCCCCC(=O)OC 62a_100000210314_100010004213 [0,2,0,0,0,0|0,0,2]=4 1340 B17R0.195 CCCCCCSCCCCCCCC(=O)OC 62a_100010004213_100000210757 [0,2,0,0,0,0|0,0,2]=4 1341 B17R0.195 CCCCCNCCCCCCCCC(=O)OC 2230a_100000209983_100010282707 [0,2,0,0,0,0|0,0,2]=4 1342 B17R0.195 CCCCCOCCCCCCCCC(=O)OC 34a_100000035544_100000718602 [0,2,0,0,0,0|0,0,2]=4 1343 B17R0.195 CCCCCOCCCCCCCCC(=O)OC 34a_100000210253_100010282707 [0,2,0,0,0,0|0,0,2]=4 1344 B17R0.195 CCCCCOCCCCCCCCC(=O)OC 7a_100000035544_100000210326 [0,2,0,0,0,0|0,0,2]=4 1345 B17R0.195 CCCCCOCCCCCCCCC(=O)OC 7a_100000210253_100010282707 [0,2,0,0,0,0|0,0,2]=4 1346 B17R0.195 CCCCCSCCCCCCCCC(=O)OC 62a_100000210326_100010282707 [0,2,0,0,0,0|0,0,2]=4 1347 B17R0.195 CCCCCSCCCCCCCCC(=O)OC 62a_100010282707_100000210326 [0,2,0,0,0,0|0,0,2]=4 1348 B17R0.195 CCCCNCCCCCCCCCC(=O)OC 2230a_100000102301_100009813843 [0,2,0,0,0,0|0,0,2]=4 1349 B17R0.195 CCCCNCCCCCCCCCC(=O)OC 7a_106832991798_100009813843 [0,2,0,0,0,0|0,0,2]=4 1350 B17R0.195 CCCCNCCCCOCCCCC(=O)OC 34a_200011216965_100000204269 [0,2,0,0,0,0|1,0,1]=4 1351 B17R0.195 CCCCOCCCCCCCCCC(=O)OC 34a_100000210227_100009813843 [0,2,0,0,0,0|0,0,2]=4 1352 B17R0.195 CCCCOCCCCCCCCCC(=O)OC 7a_100000210227_100009813843 [0,2,0,0,0,0|0,0,2]=4 1353 B17R0.195 CCCCOCCCCOCCCCC(=O)OC 34a_200000760531_100000204269 [0,2,0,0,0,0|1,0,1]=4 1354 B17R0.195 CCCCOCCCCOCCCCC(=O)OC 7a_200000760531_100000204269 [0,2,0,0,0,0|1,0,1]=4 1355 B17R0.195 CCCCSCCCCCCCCCC(=O)OC 62a_100000210211_100009813843 [0,2,0,0,0,0|0,0,2]=4 1356 B17R0.195 CCCOCCCCCCCCCCC(=O)OC 34a_100000210258_100009812566 [0,2,0,0,0,0|0,0,2]=4 1357 B17R0.195 CCCOCCCCCCCCCCC(=O)OC 34a_100011003013_100000210303 [0,2,0,0,0,0|0,0,2]=4 1358 B17R0.195 CCCOCCCCCCCCCCC(=O)OC 7a_100011003013_100000210303 [0,2,0,0,0,0|0,0,2]=4 1359 B17R0.195 CCCSCCCCCCCCCCC(=O)OC 62a_100000210303_100009812566 [0,2,0,0,0,0|0,0,2]=4 1360 B17R0.195 CCNCCCCCCCCCCCC(=O)OC 2230a_100015525214_100010983606 [0,2,0,0,0,0|0,0,2]=4 1361 B17R0.195 CCOCCCCCCCCCCCC(=O)OC 34a_100121572206_100010983606 [0,2,0,0,0,0|0,0,2]=4 1362 B17R0.195 CCSCCCCCCCCCCCC(=O)OC 62a_100000210202_100010983606 [0,2,0,0,0,0|0,0,2]=4 1363 B17R0.195 CNCCCCCCCCCCCCC(=O)OC 2230a_106832991635_209314222159 [0,2,0,0,0,0|0,0,2]=4 1364 B17R0.195 CNCCCCCCCCCCCCC(=O)OC 34a_100102657272_209314222159 [0,2,0,0,0,0|0,0,2]=4 1365 B17R0.195 CNCCCCCCCCCCCCC(=O)OC 7a_106832991635_209314222159 [0,2,0,0,0,0|0,0,2]=4 1366 B17R0.195 COC(=O)CCCCCCCCCCCCSC 62a_200000210301_209314222159 [0,2,0,0,0,0|0,0,2]=4 1367 B17R0.195 COC(=O)CCCCCCCCCCCCS[13CH3] 62a_200025704644_209314222159 [0,2,0,0,0,0|0,0,2]=4 1368 B17R0.195 COC(=O)CCCCNCCCCCCCCO 2230a_102515433106_100000204269 [0,2,0,0,0,0|1,0,1]=4 1369 B17R0.195 COC(=O)CCCCNCCCCCCCCO 34a_102515433106_100000204269 [0,2,0,0,0,0|1,0,1]=4 1370 B17R0.195 COC(=O)CCCCOCCCCCCCCBr 34a_100009813846_100000204269 [0,2,0,0,0,0|1,0,1]=4 1371 B17R0.195 COC(=O)CCCCOCCCCCCCCBr 7a_100009813846_100000204269 [0,2,0,0,0,0|1,0,1]=4 1372 B17R0.195 COC(=O)CCCCOCCCCCCCCCl 34a_100000033203_100000204269 [0,2,0,0,0,0|1,0,1]=4 1373 B17R0.195 COC(=O)CCCCOCCCCCCCCCl 7a_100000033203_100000204269 [0,2,0,0,0,0|1,0,1]=4 1374 B17R0.195 COC(=O)CCCCOCCCCCCCCN 34a_102515433106_100000204269 [0,2,0,0,0,0|1,0,1]=4 1375 B17R0.195 COC(=O)CCCCOCCCCCCCCO 34a_100000059025_100000033203 [0,2,0,0,0,0|1,0,1]=4 1376 B17R0.195 COC(=O)CCCCOCCCCCCCCO 7a_100000059025_100000033203 [0,2,0,0,0,0|1,0,1]=4 1377 B17R0.195 COC(=O)CCCCSCCCCCCCCO 62a_100000033203_100000204269 [0,2,0,0,0,0|1,0,1]=4 1378 B17R0.195 COC(=O)CCCCSCCCCCCCCO 62a_100000204269_100000033203 [0,2,0,0,0,0|1,0,1]=4 1379 B17R0.195 COC(=O)CCCNCCCCCCCCCO 2230a_100000078944_100011218270 [0,2,0,0,0,0|1,0,1]=4 1380 B17R0.195 COC(=O)CCCNCCCCCCCCCO 34a_100000078944_100000742333 [0,2,0,0,0,0|1,0,1]=4 1381 B17R0.195 COC(=O)CCCOCCCCCCCCCBr 34a_100009813782_100000742333 [0,2,0,0,0,0|1,0,1]=4 1382 B17R0.195 COC(=O)CCCOCCCCCCCCCBr 7a_100009813782_100011218270 [0,2,0,0,0,0|1,0,1]=4 1383 B17R0.195 COC(=O)CCCOCCCCCCCCCCl 34a_100009868337_100000742333 [0,2,0,0,0,0|1,0,1]=4 1384 B17R0.195 COC(=O)CCCOCCCCCCCCCCl 7a_100009868337_100011218270 [0,2,0,0,0,0|1,0,1]=4 1385 B17R0.195 COC(=O)CCCOCCCCCCCCCN 34a_100000078944_100000742333 [0,2,0,0,0,0|1,0,1]=4 1386 B17R0.195 COC(=O)CCCSCCCCCCCCCO 62a_100009813782_100011218270 [0,2,0,0,0,0|1,0,1]=4 1387 B17R0.195 COC(=O)CCCSCCCCCCCCCO 62a_100011218270_100009813782 [0,2,0,0,0,0|1,0,1]=4 1388 B17R0.195 COCCCCCCCCCCCCC(=O)OC 34a_100138415774_209314222159 [0,2,0,0,0,0|0,0,2]=4 1389 B17R0.195 O=C(CO)CCCCCCCCCCCCCO 1458a_100000210174_100009812470 [0,2,0,0,0,0|0,0,2]=4 1390 B17R0.250 C=COC(=O)COC/C=C/CCCCCCCC 34a_200020667288_100000036128 [0,2,0,0,0,0|1,0,0]=3 1391 B17R0.250 CCCCCCCC/C=C/COCC(=O)CCC 7a_200020667288_100000747444 [0,2,0,0,0,0|2,0,0]=4 1392 B17R0.250 CCCCCCCC/C=C/COCC(=O)NCC 34a_200020667288_100000183381 [0,2,0,0,0,0|2,0,0]=4 1393 B17R0.250 CCCCCCCC/C=C/COCC(=O)NCC 7a_200020667288_100000183381 [0,2,0,0,0,0|2,0,0]=4 1394 B17R0.250 CCCCCCCC/C=C/COCC(=O)NCO 34a_200020667288_100000185155 [0,2,0,0,0,0|1,0,0]=3 1395 B17R0.250 CCCCCCCC/C=C/COCC(=O)NCO 7a_200020667288_100000185155 [0,2,0,0,0,0|1,0,0]=3 1396 B17R0.250 CCCCCCCC/C=C/COCC(=O)OCC 34a_200020667288_100000188475 [0,2,0,0,0,0|1,0,0]=3 1397 B17R0.250 CCCCCCCC/C=C/COCC(=O)OCC 7a_200020667288_100000188475 [0,2,0,0,0,0|1,0,0]=3 1398 B17R0.250 CCCCCCCCCCCCCC(=O)CCO 1458a_100000756256_100000211926 [0,2,0,0,0,0|0,0,2]=4 1399 B17R0.250 CCCCCCCCCCCCCC(=O)CCO 1458a_100011216618_100000210684 [0,2,0,0,0,0|0,0,2]=4 1400 B17R0.250 CCCCCCCCCCCCCC(=O)COC 1458a_100000210968_100000210684 [0,2,0,0,0,0|0,0,2]=4 1401 B17R0.250 CCCCCCCCCNCCCC(=O)OCC 2230a_100000212291_100009991533 [0,2,0,0,0,0|1,0,1]=4 1402 B17R0.250 CCCCCCCCCNCCCC(=O)OCC 34a_100000212291_100009991533 [0,2,0,0,0,0|1,0,1]=4 1403 B17R0.250 CCCCCCCCCOCCCC(=O)OCC 34a_100000210712_100009991533 [0,2,0,0,0,0|1,0,1]=4 1404 B17R0.250 CCCCCCCCCOCCCC(=O)OCC 7a_100000210712_100011215271 [0,2,0,0,0,0|1,0,1]=4 1405 B17R0.250 CCCCCCCCCOCCCC(=O)OCC 7a_100012001163_100000210328 [0,2,0,0,0,0|1,0,1]=4 1406 B17R0.250 CCCCCCCCCSCCCC(=O)OCC 62a_100009991533_100000210670 [0,2,0,0,0,0|1,0,1]=4 1407 B17R0.250 CCCCCCCCNCCCCC(=O)OCC 2230a_100000229939_100000750268 [0,2,0,0,0,0|1,0,1]=4 1408 B17R0.250 CCCCCCCCNCCCCC(=O)OCC 34a_100000229939_100000750268 [0,2,0,0,0,0|1,0,1]=4 1409 B17R0.250 CCCCCCCCOCCCCC(=O)OCC 34a_100000210232_100000750268 [0,2,0,0,0,0|1,0,1]=4 1410 B17R0.250 CCCCCCCCOCCCCC(=O)OCC 7a_100000210232_100000750268 [0,2,0,0,0,0|1,0,1]=4 1411 B17R0.250 CCCCCCCCSCCCCC(=O)OCC 62a_100000210759_100000750268 [0,2,0,0,0,0|1,0,1]=4 1412 B17R0.250 CCCCCCCCSCCCCC(=O)OCC 62a_100000750268_100000210317 [0,2,0,0,0,0|1,0,1]=4 1413 B17R0.3112 CCCCCCCC/C=C/COC(C)C(=O)CC 7a_200020667288_100000742827 [0,2,0,0,0,0|2,0,0]=4 1414 B17R0.3112 CCCCCCCC/C=C/COC(C)C(=O)NC 34a_200020667288_100000731044 [0,2,0,0,0,0|2,0,0]=4 1415 B17R0.3112 CCCCCCCC/C=C/COC(C)C(=O)NC 7a_200020667288_100000209862 [0,2,0,0,0,0|2,0,0]=4 1416 B17R0.3112 CCCCCCCC/C=C/COC(C)C(=O)OC 34a_200020667288_100000211248 [0,2,0,0,0,0|1,0,0]=3 1417 B17R0.3112 CCCCCCCC/C=C/COC(C)C(=O)OC 7a_200020667288_100000211248 [0,2,0,0,0,0|1,0,0]=3 1418 B17R0.3112 CCCCCCCC/C=C/COC(F)C(=O)NC 34a_200020667288_100009813575 [0,2,0,0,0,0|2,0,0]=4 1419 B17R0.3112 CCCCCCCC/C=C/COC(F)C(=O)NC 7a_200020667288_100009813575 [0,2,0,0,0,0|2,0,0]=4 1420 B17R0.3112 CCCCCCCCCCCCC(C)C(=O)CO 1458a_100000210174_200011217028 [0,2,0,0,0,0|0,0,2]=4 1421 B17R0.3112 CCCCCCCCCNCCC(C)C(=O)OC 2230a_100000212291_100000034942 [0,2,0,0,0,0|1,0,1]=4 1422 B17R0.3112 CCCCCCCCCNCCC(C)C(=O)OC 34a_100000212291_100000034942 [0,2,0,0,0,0|1,0,1]=4 1423 B17R0.3112 CCCCCCCCCOCCC(C)C(=O)OC 34a_100000210712_100000034942 [0,2,0,0,0,0|1,0,1]=4 1424 B17R0.3112 CCCCCCCCCOCCC(C)C(=O)OC 7a_100000210712_100000034942 [0,2,0,0,0,0|1,0,1]=4 1425 B17R0.3112 CCCCCCCCCSCCC(C)C(=O)OC 62a_100000034942_100000210670 [0,2,0,0,0,0|1,0,1]=4 1426 B17R0.8798 CCCCCCCC=CC(=O)CCCC(=O)NC 1458a_200015332781_100000741757 [0,2,0,0,0,0|1,0,1]=4 1427 B17R0.8798 CCCCCCCC=CC(=O)CCCC(=O)OC 1458a_200015332781_100011218270 [0,2,0,0,0,0|0,0,1]=3 1428 B17R0.8798 CCCCCCCC=CC(=O)NCCC(=O)OC 188690a_100000683876_200015332781 [0,2,0,0,0,0|1,0,1]=4 1429 B17R0.8798 CCCCCCCCCC(=O)CCCC(=O)NC 1458a_100000210558_100000741757 [0,2,0,0,0,0|1,0,1]=4 1430 B17R0.8798 CCCCCCCCCC(=O)CCCC(=O)OC 1458a_100000210558_100011218270 [0,2,0,0,0,0|0,0,1]=3 1431 B17R0.8798 CCCCCCCCCC(=O)CCCC(=O)OC 1458a_100000239890_100000210670 [0,2,0,0,0,0|0,0,1]=3 1432 B17R0.8798 CCCCCCCCCC(=O)CSCC(=O)OC 1458a_100000191316_100000210670 [0,2,0,0,0,0|1,0,1]=4 1433 B17R0.8798 CCCCCCCCCC(=O)NCCC(=O)OC 188690a_100000683876_100000210558 [0,2,0,0,0,0|1,0,1]=4 1434 B17R0.8798 CCCCCCCCCN(C)CCCC(=O)OC 2230a_100000232482_100011218270 [0,2,0,0,0,0|1,0,1]=4 1435 B17R0.8798 CCCCCCCCCN(C)CCCC(=O)OC 269982a_100000232482_100011218270 [0,2,0,0,0,0|1,0,1]=4 1436 B17R0.8798 CCCCCCCCCN(C)CCCC(=O)OC 269982a_100000739225_100000210670 [0,2,0,0,0,0|1,0,1]=4 1437 B17R0.8798 CCCCCCCCNC(=O)CCCC(=O)OC 11a_100000229939_100000239890 [0,2,0,0,0,0|1,0,0]=3 1438 B17R0.8798 CCCCCCCCNC(=O)CCCC(=O)OC 1626a_100000229939_100000239890 [0,2,0,0,0,0|1,0,0]=3 1439 B17R0.8798 CCCCCCCCNC(=O)CCCC(=O)OC 240690a_100000229939_100000239890 [0,2,0,0,0,0|1,0,0]=3 1440 B17R0.8798 CCCCCCCCNC(=O)CCCC(=O)OC 527a_100000229939_100000239890 [0,2,0,0,0,0|1,0,0]=3 1441 B17R0.8798 CCCCCCCCNC(=O)CSCC(=O)OC 11a_100000229939_100000191316 [0,2,0,0,0,0|2,0,0]=4 1442 B17R0.8798 CCCCCCCCNC(=O)CSCC(=O)OC 1626a_100000229939_100000191316 [0,2,0,0,0,0|2,0,0]=4 1443 B17R0.8798 CCCCCCCCNC(=O)CSCC(=O)OC 240690a_100000229939_100000191316 [0,2,0,0,0,0|2,0,0]=4 1444 B17R0.8798 CCCCOCCCNC(=O)CCCC(=O)OC 1626a_200000211371_100000239890 [0,2,0,0,0,0|2,0,0]=4 1445 B17R0.8798 CCCCOCCCNC(=O)CCCC(=O)OC 240690a_200000211371_100000239890 [0,2,0,0,0,0|2,0,0]=4 1446 B17R0.8798 CCCCOCCCNC(=O)CCCC(=O)OC 527a_200000211371_100000239890 [0,2,0,0,0,0|2,0,0]=4 1447 B17R0.8798 COC(=O)CCCC(=O)CCCCCCCCO 1458a_100000239890_100000033203 [0,2,0,0,0,0|1,0,1]=4 1448 B17R0.8798 COC(=O)CCCC(=O)NCCCCCCCO 240690a_100011996573_100000239890 [0,2,0,0,0,0|2,0,0]=4 1449 B17R0.12415 CCCCCCCCC=CC(=O)NCC(=O)OC 188690a_100000185156_100015345288 [0,2,0,0,0,0|1,0,1]=4 1450 B17R0.13601 CCCCCCCCCNC[C@H](O)CC(=O)OC 34a_100000212291_100000754131 [0,2,0,0,0,0|1,0,1]=4 1451 B17R0.13601 CCCCCCCCCOC[C@H](O)CC(=O)OC 34a_100000210712_100000754131 [0,2,0,0,0,0|1,0,1]=4 1452 B17R0.13601 CCCCCCCCCOC[C@H](O)CC(=O)OC 7a_100000210712_100000754131 [0,2,0,0,0,0|1,0,1]=4 1453 B17R0.13601 CCCCCCCCCSC[C@H](O)CC(=O)OC 62a_100000754131_100000210670 [0,2,0,0,0,0|1,0,1]=4 1454 B17R0.14245 CCCCCCCC/C=C/COCC(=O)C(=O)C 34a_200020667288_100011261029 [0,2,0,0,0,0|1,0,1]=4 1455 B17R0.14245 CCCCCCCC/C=C/COCC(=O)C(C)C 34a_200020667288_100000753385 [0,2,0,0,0,0|2,0,0]=4 1456 B17R0.14245 CCCCCCCC/C=C/COCC(=O)C(C)C 7a_200020667288_100000753385 [0,2,0,0,0,0|2,0,0]=4 1457 B17R0.14245 CCCCCCCC/C=C/COCC(=O)N(C)C 34a_200020667288_100000692301 [0,2,0,0,0,0|2,0,0]=4 1458 B17R0.14245 CCCCCCCC/C=C/COCC(=O)N(C)C 7a_200020667288_100000692301 [0,2,0,0,0,0|2,0,0]=4 1459 B17R0.14245 CCCCCCCCC/C=C/COC(C)C(=O)C 7a_100015232335_100000179758 [0,2,0,0,0,0|2,0,0]=4 1460 B17R0.14245 CCCCCCCCC/C=C/COC(C)C(=O)N 34a_100015232335_100000702099 [0,2,0,0,0,0|2,0,0]=4 1461 B17R0.14245 CCCCCCCCC/C=C/COC(C)C(=O)N 7a_100015232335_100000702099 [0,2,0,0,0,0|2,0,0]=4 1462 B17R0.14245 CCCCCCCCC/C=C/COC(F)C(=O)N 34a_100015232335_100009813875 [0,2,0,0,0,0|2,0,0]=4 1463 B17R0.14245 CCCCCCCCC/C=C/COC(F)C(=O)N 7a_100015232335_100009813875 [0,2,0,0,0,0|2,0,0]=4 1464 B17R0.14245 CCCCCCCCC/C=C/COC(F)C(=O)[O-] 34a_100015232335_100020610796 [0,2,0,0,0,0|1,0,1]=4 1465 B17R0.14245 CCCCCCCCCCCCCC(=O)C(O)O 1458a_100000233687_100000210684 [0,2,0,0,0,0|0,0,2]=4 1466 B17R0.14245 CCCCCCCCCCCCCC(=O)[C@@H](C)O 1458a_100000717761_100000210684 [0,2,0,0,0,0|0,0,2]=4 1467 B17R0.14245 CCCCCCCCCCCCCC(=O)[C@H](C)O 1458a_217856618621_100000210684 [0,2,0,0,0,0|0,0,2]=4 1468 B17R0.14245 CCCCCCCCCCCCN[C@@H](C)C(=O)O 269956a_100000743915_100000759014 [0,2,0,0,0,0|0,0,2]=4 1469 B17R0.14245 CCCCCCCCCCCNCC(C)C(=O)O 269956a_100000749485_100011215454 [0,2,0,0,0,0|0,0,2]=4 1470 B17R0.14245 CCCCCCCCCCCNCC(F)C(=O)O 269956a_100000084737_100011215454 [0,2,0,0,0,0|0,0,2]=4 1471 B17R0.14363 COC(=O)CCCCNCCCCCCC(C)C 2230a_100000211014_100000204269 [0,2,0,0,0,0|1,0,1]=4 1472 B17R0.14363 COC(=O)CCCCNCCCCCCC(C)C 34a_100000211014_100000204269 [0,2,0,0,0,0|1,0,1]=4 1473 B17R0.14363 COC(=O)CCCOCCCCCCCC(C)C 34a_200000210741_100000742333 [0,2,0,0,0,0|1,0,1]=4 1474 B17R0.14363 COC(=O)CCCOCCCCCCCC(C)C 7a_200000210741_100011218270 [0,2,0,0,0,0|1,0,1]=4 1475 B17R0.188 CCCCCCCC/C=C/COC(CC)C(=O)N 34a_200020667288_100000750255 [0,2,0,0,0,0|2,0,0]=4 1476 B17R0.188 CCCCCCCC/C=C/COC(CC)C(=O)N 7a_200020667288_100000750255 [0,2,0,0,0,0|2,0,0]=4 1477 B17R0.3218 CCCCCCCC/C=C/COC(C)(C)C(=O)C 7a_200020667288_100000075568 [0,2,0,0,0,0|2,0,0]=4 1478 B17R0.3218 CCCCCCCC/C=C/COC(C)(C)C(=O)N 34a_200020667288_100000702505 [0,2,0,0,0,0|2,0,0]=4 1479 B17R0.3218 CCCCCCCC/C=C/COC(C)(C)C(=O)N 7a_200020667288_100000702505 [0,2,0,0,0,0|2,0,0]=4 1480 B17R0.3218 CCCCCCCC/C=C/COC(F)(F)C(=O)N 7a_200020667288_100009811971 [0,2,0,0,0,0|2,0,0]=4 1481 B17R0.3218 CCCCCCCC/C=C/COC(F)(F)C(=O)[O-] 34a_200020667288_100020612412 [0,2,0,0,0,0|1,0,1]=4 1482 B17R0.38 CC(=O)CCCC(=O)CCCCCCCCCF 1458a_200009909015_100011215641 [0,2,0,0,0,0|1,0,1]=4 1483 B17R0.38 CCCCCCCCC=CC(=O)CCCC(=O)C 1458a_100015345288_100011215641 [0,2,0,0,0,0|1,0,0]=3 1484 B17R0.38 CCCCCCCCC=CC(=O)CCCC(=O)N 1458a_100015345288_100102525003 [0,2,0,0,0,0|1,0,0]=3 1485 B17R0.38 CCCCCCCCC=CC(=O)CCCC(C)O 1458a_100015345288_200000718107 [0,2,0,0,0,0|1,0,1]=4 1486 B17R0.38 CCCCCCCCC=CC(=O)CCNC(=O)C 1458a_100015345288_100000189650 [0,2,0,0,0,0|1,0,1]=4 1487 B17R0.38 CCCCCCCCC=CC(=O)CCNC(=O)N 1458a_100015345288_200000034859 [0,2,0,0,0,0|1,0,1]=4 1488 B17R0.38 CCCCCCCCC=CC(=O)CCOC(=O)C 1458a_100015345288_100009814007 [0,2,0,0,0,0|1,0,1]=4 1489 B17R0.38 CCCCCCCCC=CC(=O)CCOC(=O)N 1458a_100015345288_200011214921 [0,2,0,0,0,0|1,0,1]=4 1490 B17R0.38 CCCCCCCCC=CC(=O)NCCC(=O)N 11a_100000740010_100015345288 [0,2,0,0,0,0|1,0,1]=4 1491 B17R0.38 CCCCCCCCC=CC(=O)NCCC(=O)N 240690a_100000740010_100015345288 [0,2,0,0,0,0|1,0,1]=4 1492 B17R0.38 CCCCCCCCCCC(=O)CCCC(=O)C 1458a_100000210375_100011215641 [0,2,0,0,0,0|1,0,1]=4 1493 B17R0.38 CCCCCCCCCCC(=O)CCCC(=O)N 1458a_100000210375_100102525003 [0,2,0,0,0,0|1,0,1]=4 1494 B17R0.38 CCCCCCCCCCN(C)CCCC(=O)O 269956a_100000719178_100000210320 [0,2,0,0,0,0|0,0,2]=4 1495 B17R0.38 CCCCCCCCOCC(=O)CCCC(=O)C 1458a_100000759886_100011215641 [0,2,0,0,0,0|1,0,1]=4 1496 B17R0.38 CCCCCCCCOCC(=O)CCCC(=O)N 1458a_100000759886_100102525003 [0,2,0,0,0,0|1,0,1]=4 1497 B17R0.38 CN(CCCCCCCCCO)CCCC(=O)O 269956a_100000719178_100009813782 [0,2,0,0,0,0|1,0,1]=4 1498 B17R0.38 NC(=O)CCCC(=O)CCCCCCCCCF 1458a_200009909015_100102525003 [0,2,0,0,0,0|1,0,1]=4 1499 B17R0.43 CCCCCCC/C=C/C=C/COCCC(=O)C 7a_200025756345_100000053229 [0,2,0,0,0,0|1,0,1]=4 1500 B17R0.43 CCCCCCC/C=C/C=C/COCCC(=O)N 34a_200025756345_100000731001 [0,2,0,0,0,0|1,0,1]=4 1501 B17R0.43 CCCCCCC/C=C/C=C/COCCC(=O)N 7a_200025756345_100000744528 [0,2,0,0,0,0|1,0,1]=4 1502 B17R0.43 CCCCCCCC/C=C/COCCCC(=O)C 34a_200020667288_100000685027 [0,2,0,0,0,0|1,0,0]=3 1503 B17R0.43 CCCCCCCC/C=C/COCCCC(=O)C 7a_200020667288_100011215641 [0,2,0,0,0,0|1,0,0]=3 1504 B17R0.43 CCCCCCCC/C=C/COCCCC(=O)N 34a_200020667288_100102525003 [0,2,0,0,0,0|1,0,0]=3 1505 B17R0.43 CCCCCCCC/C=C/COCCCC(=O)N 7a_200020667288_100102525003 [0,2,0,0,0,0|1,0,0]=3 1506 B17R0.43 CCCCCCCC/C=C/COCCCC(C)O 34a_200020667288_200000718107 [0,2,0,0,0,0|1,0,1]=4 1507 B17R0.43 CCCCCCCC/C=C/COCCCC(C)O 7a_200020667288_200000718107 [0,2,0,0,0,0|1,0,1]=4 1508 B17R0.43 CCCCCCCC/C=C/COCCNC(=O)C 7a_200020667288_100000189650 [0,2,0,0,0,0|1,0,0]=3 1509 B17R0.43 CCCCCCCC/C=C/COCCNC(=O)N 7a_200020667288_200000034859 [0,2,0,0,0,0|1,0,0]=3 1510 B17R0.43 CCCCCCCC/C=C/COCCOC(=O)C 34a_200020667288_100009814007 [0,2,0,0,0,0|1,0,0]=3 1511 B17R0.43 CCCCCCCC/C=C/COCCOC(=O)C 7a_200020667288_100009814007 [0,2,0,0,0,0|1,0,0]=3 1512 B17R0.43 CCCCCCCC/C=C/COCCOC(=O)N 34a_200020667288_200011214921 [0,2,0,0,0,0|1,0,0]=3 1513 B17R0.43 CCCCCCCC/C=C/COCCOC(=O)N 7a_200020667288_200011214921 [0,2,0,0,0,0|1,0,0]=3 1514 B17R0.43 CCCCCCCCC/C=C/COCCC(=O)C 7a_100015232335_100000053229 [0,2,0,0,0,0|1,0,0]=3 1515 B17R0.43 CCCCCCCCC/C=C/COCCC(=O)N 34a_100015232335_100000731001 [0,2,0,0,0,0|1,0,0]=3 1516 B17R0.43 CCCCCCCCC/C=C/COCCC(=O)N 7a_100015232335_100000744528 [0,2,0,0,0,0|1,0,0]=3 1517 B17R0.43 CCCCCCCCC/C=C/COCCC(C)O 34a_100015232335_100012276601 [0,2,0,0,0,0|1,0,1]=4 1518 B17R0.43 CCCCCCCCC/C=C/COCCC(C)O 7a_100015232335_100012276601 [0,2,0,0,0,0|1,0,1]=4 1519 B17R0.43 CCCCCCCCC/C=C/COCOC(=O)C 34a_100015232335_100009813279 [0,2,0,0,0,0|2,0,0]=4 1520 B17R0.43 CCCCCCCCCC/C=C/COCC(=O)N 34a_200025761149_100000187820 [0,2,0,0,0,0|2,0,0]=4 1521 B17R0.43 CCCCCCCCCC/C=C/COCC(=O)N 7a_200025761149_100000187820 [0,2,0,0,0,0|2,0,0]=4 1522 B17R0.43 CCCCCCCCCC/C=C/COCC(=O)[O-] 34a_200025761149_100020667443 [0,2,0,0,0,0|1,0,1]=4 1523 B17R0.43 CCCCCCCCCCCCCNCC(=O)O 269956a_100016091260_100000210684 [0,2,0,0,0,0|0,0,2]=4 1524 B17R0.43 CCCCCCCCCCCCNOCC(=O)O 269956a_100000106656_100000759014 [0,2,0,0,0,0|0,0,2]=4 1525 B17R0.43 CCCCCCCCCCNCCOCC(=O)O 269956a_100000700818_100000210320 [0,2,0,0,0,0|0,0,2]=4 1526 B17R0.43 CCCCCCCNCCOCCOCC(=O)O 269956a_100009854275_100000210614 [0,2,0,0,0,0|1,0,1]=4 1527 B17R0.43 O=C(O)CNCCCCCCCCCCCCO 269956a_100016091260_100009813331 [0,2,0,0,0,0|0,0,2]=4 1528 B17R0.43 O=C(O)COCCNCCCCCCCCCO 269956a_100000700818_100009813782 [0,2,0,0,0,0|1,0,1]=4 1529 B17R0.116 CCCCCCCCCCCCN(C)CC(=O)O 269956a_100000746989_100000759014 [0,2,0,0,0,0|0,0,2]=4 1530 B17R0.116 CCCCCCCCCCNCC(O)CC(=O)O 269956a_100011218706_100000210320 [0,2,0,0,0,0|0,0,2]=4 1531 B17R0.116 O=C(O)CC(O)CNCCCCCCCCCO 269956a_100011218706_100009813782 [0,2,0,0,0,0|1,0,1]=4 1532 B17R0.197 CCCCCCCC/C=C/COCCC(C)(C)O 34a_200020667288_100000702414 [0,2,0,0,0,0|1,0,1]=4 1533 B17R0.197 CCCCCCCC/C=C/COCCC(C)(C)O 7a_200020667288_100000702414 [0,2,0,0,0,0|1,0,1]=4 1534 B17R0.197 CCCCCCCC/C=C/COCCS(=O)(=O)C 34a_200020667288_100000731031 [0,2,0,0,0,0|1,0,1]=4 1535 B17R0.197 CCCCCCCC/C=C/COCCS(=O)(=O)C 7a_200020667288_100000230027 [0,2,0,0,0,0|1,0,1]=4 1536 B17R0.197 CCCCCCCC/C=C/COCCS(=O)(=O)[O-] 34a_200020667288_100000762736 [0,2,0,0,0,0|1,0,1]=4 1537 B17R0.8801 CCCCCCCC=CC(=O)CCCCC(=O)C 1458a_200015332781_100000735457 [0,2,0,0,0,0|1,0,1]=4 1538 B17R0.8801 CCCCCCCC=CC(=O)CCCOC(=O)C 1458a_200015332781_100000042594 [0,2,0,0,0,0|1,0,1]=4 1539 B17R0.8801 CCCCCCCC=CC(=O)CCCSC(=O)C 1458a_200015332781_100000038929 [0,2,0,0,0,0|1,0,1]=4 1540 B17R0.8801 CCCCCCCC=CC(=O)CCOCC(=O)N 1458a_200015332781_100000076697 [0,2,0,0,0,0|1,0,1]=4 1541 B17R0.8801 CCCCCCCC=CC(=O)NCCCC(=O)N 240690a_100000739312_200015332781 [0,2,0,0,0,0|1,0,1]=4 1542 B17R0.8801 CCCCCCCCCC(=O)CCCCC(=O)C 1458a_100000210558_100000735457 [0,2,0,0,0,0|1,0,1]=4 1543 B17R0.8801 CCCCCCCCCC(=O)CCCNC(=O)C 1458a_100000194741_100000210670 [0,2,0,0,0,0|1,0,1]=4 1544 B17R0.8801 CCCCCCCCCC(=O)CCCOC(=O)C 1458a_100000210558_100000042594 [0,2,0,0,0,0|1,0,1]=4 1545 B17R0.8801 CCCCCCCCCC(=O)CCCSC(=O)C 1458a_100000210558_100000038929 [0,2,0,0,0,0|1,0,1]=4 1546 B17R0.8801 CCCCCCCCCC(=O)CCOCC(=O)N 1458a_100000210558_100000076697 [0,2,0,0,0,0|1,0,1]=4 1547 B17R0.8801 CCCCCCCCCC(=O)CCSCC(=O)N 1458a_100000148550_100000210670 [0,2,0,0,0,0|1,0,1]=4 1548 B17R0.8801 CCCCCCCCCC(=O)NCCCC(=O)N 240690a_100000739312_100000210558 [0,2,0,0,0,0|1,0,1]=4 1549 B17R0.8801 CCCCCCCCCC(=O)NCCCC(=O)N 527a_100000739312_100000210558 [0,2,0,0,0,0|1,0,1]=4 1550 B17R0.8801 CCCCCCCCCC(=O)OCNCC(=O)O 269956a_100016091260_200010990708 [0,2,0,0,0,0|1,0,1]=4 1551 B17R0.8801 CCCCCCCCNC(=O)CCCNC(=O)C 11a_100000229939_100000194741 [0,2,0,0,0,0|2,0,0]=4 1552 B17R0.8801 CCCCCCCCNC(=O)CCCNC(=O)C 1626a_100000229939_100000194741 [0,2,0,0,0,0|2,0,0]=4 1553 B17R0.8801 CCCCCCCCNC(=O)CCCNC(=O)C 240690a_100000229939_100000194741 [0,2,0,0,0,0|2,0,0]=4 1554 B17R0.8801 CCCCCCCCNC(=O)CCCNC(=O)C 527a_100000229939_100000194741 [0,2,0,0,0,0|2,0,0]=4 1555 B17R0.8801 CCCCCCCCNC(=O)CCSCC(=O)N 11a_100000229939_100000148550 [0,2,0,0,0,0|2,0,0]=4 1556 B17R0.8801 CCCCCCCCNC(=O)CCSCC(=O)N 240690a_100000229939_100000148550 [0,2,0,0,0,0|2,0,0]=4 1557 B17R0.8801 CCCCCCCCNC(=O)CCSCC(=O)N 527a_100000229939_100000148550 [0,2,0,0,0,0|2,0,0]=4 1558 B17R0.8801 CCCCCCCCNC(=O)NCCCC(=O)N 273464a_100000229939_100000739312 [0,2,0,0,0,0|2,0,0]=4 1559 B17R0.8801 CCCCCCCCNC(=O)NCCCC(=O)N 273464a_100000739312_100000229939 [0,2,0,0,0,0|2,0,0]=4 1560 B17R0.8801 CCCCCCCCNC(=O)NCCCC(=O)N 512a_100000229939_100000739312 [0,2,0,0,0,0|2,0,0]=4 1561 B17R0.8801 CCCCCCCCNC(=O)NCCCC(=O)N 512a_100000739312_100000229939 [0,2,0,0,0,0|2,0,0]=4 1562 B17R0.8801 NC(=O)CCCNC(=O)CCCCCCCCO 240690a_100000739312_100000015970 [0,2,0,0,0,0|2,0,0]=4 1563 B17R0.3117 CCCCCCCCC(O)C(=O)CCCC(=O)C 1458a_200011995895_100011215641 [0,2,0,0,0,0|1,0,1]=4 1564 B17R0.3117 CCCCCCCCC(O)C(=O)CCCC(=O)N 1458a_200011995895_100102525003 [0,2,0,0,0,0|1,0,1]=4 1565 B17R0.9661 CCCCCC(C)CCC(=O)CCCCC(=O)C 1458a_100000034243_100000735457 [0,2,0,0,0,0|1,0,1]=4 1566 B17R0.9661 CCCCCC(C)CCC(=O)NCCCC(=O)N 240690a_100000739312_100000034243 [0,2,0,0,0,0|2,0,0]=4 1567 B17R0.9661 CCCCCC(C)CCC(=O)NCCCC(=O)N 527a_100000739312_100000034243 [0,2,0,0,0,0|2,0,0]=4 1568 B15R1.35 C=CCCC/C=C/COC1CCCCC1 34a_200016268473_100000210327 [1,0,0,1,0,0|2,0,0]=4 1569 B15R1.35 C=CCCC/C=C/COC1CCCCC1 7a_200016268473_100000210327 [1,0,0,1,0,0|2,0,0]=4 1570 B15R1.35 O=CCCCCNCCC1CCCCC1 2230a_100000738074_100000139335 [1,0,0,1,0,0|1,0,1]=4 1571 B15R1.35 O=CCCCCOCCC1CCCCC1 7a_100011217863_100000139335 [1,0,0,1,0,0|1,0,1]=4 1572 B15R1.35 O=CCCCCSCCC1CCCCC1 62a_100000139335_100012355289 [1,0,0,1,0,0|1,0,1]=4 1573 B15R1.35 O=CCCCCSCCC1CCCCC1 62a_100012355289_100000139335 [1,0,0,1,0,0|1,0,1]=4 1574 B15R1.35 O=CCCCNCCCC1CCCCC1 2230a_100011211642_200011292268 [1,0,0,1,0,0|1,0,1]=4 1575 B15R1.35 O=CCCCOCCCC1CCCCC1 7a_100000198086_200011292268 [1,0,0,1,0,0|1,0,1]=4 1576 B15R1.35 O=CCCCSCCCC1CCCCC1 62a_100011713725_200011292268 [1,0,0,1,0,0|1,0,1]=4 1577 B15R1.35 O=CCCCSCCCC1CCCCC1 62a_200011292268_100011713725 [1,0,0,1,0,0|1,0,1]=4 1578 B15R1.242 CCCC1CCCCC1OCCCC=O 7a_100011217265_200011292268 [1,0,0,1,0,0|1,0,1]=4 1579 B15R1.242 CCCC1CCCCN1CCCCC=O 2230a_100000701414_100000139335 [1,0,0,1,0,0|1,0,1]=4 1580 B15R1.242 CCCC1CCCCN1CCCCC=O 269982a_100000701414_100000139335 [1,0,0,1,0,0|1,0,1]=4 1581 B15R1.528 C=CCCC/C=C/COCC1CCCC1 34a_200016268473_100000740388 [1,0,0,1,0,0|2,0,0]=4 1582 B15R1.528 C=CCCC/C=C/COCC1CCCC1 7a_200016268473_100000740388 [1,0,0,1,0,0|2,0,0]=4 1583 B15R1.528 O=CCCCCNCCCC1CCCC1 2230a_100000736752_100000139335 [1,0,0,1,0,0|1,0,1]=4 1584 B15R1.528 O=CCCCCOCCCC1CCCC1 7a_100011215328_100000139335 [1,0,0,1,0,0|1,0,1]=4 1585 B15R1.528 O=CCCCCSCCCC1CCCC1 62a_100000139335_100011713738 [1,0,0,1,0,0|1,0,1]=4 1586 B15R1.528 O=CCCCCSCCCC1CCCC1 62a_100011713738_100000139335 [1,0,0,1,0,0|1,0,1]=4 1587 B15R1.1045 CCC1CCCCC1OCCCCC=O 7a_100000210738_100000139335 [1,0,0,1,0,0|1,0,1]=4 1588 B15R1.1951 O=CCCCCNC1CCCCCCC1 2230a_100000211152_100000139335 [1,0,0,1,0,0|1,0,1]=4 1589 B15R1.1951 O=CCCCCOC1CCCCCCC1 7a_100000210054_100000139335 [1,0,0,1,0,0|1,0,1]=4 1590 B15R1.1951 O=CCCCOCC1CCCCCCC1 7a_100011216312_200011292268 [1,0,0,1,0,0|1,0,1]=4 1591 B15R1.3515 CCCCCCCCNC1CCCC1=O 2230a_100000229939_100000211823 [1,0,0,1,0,0|1,0,1]=4 1592 B15R1.3515 CCCCCCCCNC1CCCC1=O 34a_100000229939_100000709159 [1,0,0,1,0,0|1,0,1]=4 1593 B15R1.3515 CCCCCCCCOC1CCCC1=O 34a_100000210232_100000709159 [1,0,0,1,0,0|1,0,1]=4 1594 B15R1.3515 CCCCCCCCOC1CCCC1=O 34a_200000719330_100000210759 [1,0,0,1,0,0|1,0,1]=4 1595 B15R1.3515 CCCCCCCCOC1CCCC1=O 7a_100000210232_100000211823 [1,0,0,1,0,0|1,0,1]=4 1596 B15R1.3515 CCCCCCCCSC1CCCC1=O 62a_100000210759_100000211823 [1,0,0,1,0,0|1,0,1]=4 1597 B15R1.3515 CCCCCCCCSC1CCCC1=O 62a_100000211823_100000210317 [1,0,0,1,0,0|1,0,1]=4 1598 B15R1.3523 CCCCCCCCCNC1CCC1=O 34a_100000212291_100009892977 [1,0,0,1,0,0|1,0,1]=4 1599 B15R1.3523 CCCCCCCCCOC1CCC1=O 34a_100000210712_100009892977 [1,0,0,1,0,0|1,0,1]=4 1600 B15R1.3523 CCCCCCCCCOC1CCC1=O 7a_100000210712_100009892977 [1,0,0,1,0,0|1,0,1]=4 1601 B15R1.3523 CCCCCCCCCSC1CCC1=O 62a_100009892977_100000210670 [1,0,0,1,0,0|1,0,1]=4 1602 B15R1.6328 O=CCCCCNCC1CCCCCC1 2230a_100015204231_100000139335 [1,0,0,1,0,0|1,0,1]=4 1603 B15R1.6328 O=CCCCCOCC1CCCCCC1 7a_100000699130_100000139335 [1,0,0,1,0,0|1,0,1]=4 1604 B15R1.6328 O=CCCCCSCC1CCCCCC1 62a_100000139335_200000696569 [1,0,0,1,0,0|1,0,1]=4 1605 B15R1.6328 O=CCCCCSCC1CCCCCC1 62a_200000696569_100000139335 [1,0,0,1,0,0|1,0,1]=4 1606 B15R1.6328 O=CCCCNCCC1CCCCCC1 2230a_100011532351_200011292268 [1,0,0,1,0,0|1,0,1]=4 1607 B15R1.11854 O=CCCCCN1CCCCCCCC1 2230a_100000039187_100000139335 [1,0,0,1,0,0|1,0,1]=4 1608 B15R1.11854 O=CCCCCN1CCCCCCCC1 269982a_100000039187_100000139335 [1,0,0,1,0,0|1,0,1]=4 1609 B15R1.34 CCCCCCCCNC1COC(=O)O1 34a_100000229939_100000032252 [1,0,0,1,0,0|2,0,0]=4 1610 B15R1.34 CCCCCCCCOC1CCC(=O)C1 34a_100012614533_100000210759 [1,0,0,1,0,0|2,0,0]=4 1611 B15R1.34 CCCCCCCCOC1COC(=O)O1 34a_100000210232_100000032252 [1,0,0,1,0,0|2,0,0]=4 1612 B15R1.34 CCCCCCCCSC1COC(=O)O1 62a_100000210759_100000032252 [1,0,0,1,0,0|2,0,0]=4 1613 B15R1.84 CCC1CCCCC1NCCCC(=O)N 269862a_100000739312_100000757040 [1,0,0,1,0,0|2,0,0]=4 1614 B15R1.84 CCC1CCCCC1OCCCC(=O)C 34a_100000210738_100000685027 [1,0,0,1,0,0|2,0,0]=4 1615 B15R1.84 CCC1CCCCC1OCCCC(=O)C 7a_100000210738_100011215641 [1,0,0,1,0,0|2,0,0]=4 1616 B15R1.84 CCC1CCCCC1OCCCC(=O)N 34a_100000210738_100102525003 [1,0,0,1,0,0|2,0,0]=4 1617 B15R1.84 CCC1CCCCC1OCCCC(=O)N 7a_100000210738_100102525003 [1,0,0,1,0,0|2,0,0]=4 1618 B15R1.241 CCCCCCN1CCCC[C@@H]1C(=O)O 269956a_100000763471_100000210757 [1,0,0,1,0,0|1,0,1]=4 1619 B15R1.241 CCCCCCN1CSCCC1C(=O)O 269956a_100015185162_100000210757 [1,0,0,1,0,0|2,0,0]=4 1620 B15R1.241 CCCCCN[C@@H]1CC=CC[C@H]1C(=O)N 34a_100032748912_100000718602 [1,0,0,1,0,0|2,0,0]=4 1621 B15R1.241 CCCCCN[C@@H]1CCCC[C@H]1C(=O)O 269956a_100009816435_100000210326 [1,0,0,1,0,0|1,0,1]=4 1622 B15R1.489 CC(=O)CCCNCCCC1CCCC1 34a_100000736752_100000685027 [1,0,0,1,0,0|2,0,0]=4 1623 B15R1.489 CC(=O)CCCOCCCC1CCCC1 34a_100000759063_100011713738 [1,0,0,1,0,0|2,0,0]=4 1624 B15R1.489 CC(=O)CCCOCCCC1CCCC1 34a_100011215328_100000685027 [1,0,0,1,0,0|2,0,0]=4 1625 B15R1.489 CC(=O)CCCOCCCC1CCCC1 7a_100000759063_100011713738 [1,0,0,1,0,0|2,0,0]=4 1626 B15R1.489 CC(=O)CCCOCCCC1CCCC1 7a_100011215328_100011215641 [1,0,0,1,0,0|2,0,0]=4 1627 B15R1.489 CC(=O)CCCSCCCC1CCCC1 62a_100011215641_100011713738 [1,0,0,1,0,0|2,0,0]=4 1628 B15R1.489 CC(=O)CCCSCCCC1CCCC1 62a_100011713738_100011215641 [1,0,0,1,0,0|2,0,0]=4 1629 B15R1.489 NC(=O)CCCNCCCC1CCCC1 34a_100000736752_100102525003 [1,0,0,1,0,0|2,0,0]=4 1630 B15R1.489 NC(=O)CCCNCCCC1CCCC1 34a_100000739312_100011713738 [1,0,0,1,0,0|2,0,0]=4 1631 B15R1.489 NC(=O)CCCOCCCC1CCCC1 34a_100011215328_100102525003 [1,0,0,1,0,0|2,0,0]=4 1632 B15R1.489 NC(=O)CCCOCCCC1CCCC1 7a_100011215328_100102525003 [1,0,0,1,0,0|2,0,0]=4 1633 B15R1.489 NC(=O)CCCSCCCC1CCCC1 62a_100011713738_100102525003 [1,0,0,1,0,0|2,0,0]=4 1634 B15R1.489 NC(=O)CCCSCCCC1CCCC1 62a_100102525003_100011713738 [1,0,0,1,0,0|2,0,0]=4 1635 B15R1.504 CC(=O)CCCNCCC1CCCCC1 34a_100000738074_100000685027 [1,0,0,1,0,0|2,0,0]=4 1636 B15R1.504 CC(=O)CCCOCCC1CCCCC1 34a_100000759063_100011209188 [1,0,0,1,0,0|2,0,0]=4 1637 B15R1.504 CC(=O)CCCOCCC1CCCCC1 34a_100011217863_100000685027 [1,0,0,1,0,0|2,0,0]=4 1638 B15R1.504 CC(=O)CCCOCCC1CCCCC1 7a_100000759063_100011273959 [1,0,0,1,0,0|2,0,0]=4 1639 B15R1.504 CC(=O)CCCOCCC1CCCCC1 7a_100011217863_100011215641 [1,0,0,1,0,0|2,0,0]=4 1640 B15R1.504 CC(=O)CCCSCCC1CCCCC1 62a_100011215641_100012355289 [1,0,0,1,0,0|2,0,0]=4 1641 B15R1.504 CC(=O)CCCSCCC1CCCCC1 62a_100012355289_100011215641 [1,0,0,1,0,0|2,0,0]=4 1642 B15R1.504 NC(=O)CCCNCCC1CCCCC1 34a_100000738074_100102525003 [1,0,0,1,0,0|2,0,0]=4 1643 B15R1.504 NC(=O)CCCNCCC1CCCCC1 34a_100000739312_100011209188 [1,0,0,1,0,0|2,0,0]=4 1644 B15R1.504 NC(=O)CCCOCCC1CCCCC1 34a_100011217863_100102525003 [1,0,0,1,0,0|2,0,0]=4 1645 B15R1.504 NC(=O)CCCOCCC1CCCCC1 7a_100011217863_100102525003 [1,0,0,1,0,0|2,0,0]=4 1646 B15R1.504 NC(=O)CCCSCCC1CCCCC1 62a_100012355289_100102525003 [1,0,0,1,0,0|2,0,0]=4 1647 B15R1.504 NC(=O)CCCSCCC1CCCCC1 62a_100102525003_100012355289 [1,0,0,1,0,0|2,0,0]=4 1648 B15R1.589 CCCC1CCCCN1CCCC(=O)C 269982a_100000701414_100011215641 [1,0,0,1,0,0|2,0,0]=4 1649 B15R1.589 CCCC1CCCCN1CCCC(=O)C 34a_100000701414_100000685027 [1,0,0,1,0,0|2,0,0]=4 1650 B15R1.589 CCCC1CCCCN1CCCC(=O)N 269982a_100000701414_100102525003 [1,0,0,1,0,0|2,0,0]=4 1651 B15R1.589 CCCC1CCCCN1CCCC(=O)N 34a_100000701414_100102525003 [1,0,0,1,0,0|2,0,0]=4 1652 B15R1.604 CCCC1CCCC1NCCCC(=O)N 269862a_100000739312_100000723119 [1,0,0,1,0,0|2,0,0]=4 1653 B15R1.1051 CCCCN1CCCCC1CCC(=O)O 269956a_100000694054_100000210211 [1,0,0,1,0,0|1,0,1]=4 1654 B15R1.1168 CCCCCCCCNCC1CC(=O)C1 2230a_100000229939_100009874392 [1,0,0,1,0,0|2,0,0]=4 1655 B15R1.1168 CCCCCCCCOCC1CC(=O)C1 34a_100000101936_100000210759 [1,0,0,1,0,0|2,0,0]=4 1656 B15R1.1168 CCCCCCCCOCC1CC(=O)C1 7a_100000210232_100009874392 [1,0,0,1,0,0|2,0,0]=4 1657 B15R1.1168 CCCCCCCCSCC1CC(=O)C1 62a_100000210759_100009874392 [1,0,0,1,0,0|2,0,0]=4 1658 B15R1.1168 CCCCCCCCSCC1CC(=O)C1 62a_100009874392_100000210317 [1,0,0,1,0,0|2,0,0]=4 1659 B15R1.3525 CCCCCCCN1CCC[C@H]1C(=O)O 269956a_100000743916_100000210614 [1,0,0,1,0,0|1,0,1]=4 1660 B15R1.3745 CCCCCN1CCCCCC1C(=O)O 269956a_100000758484_100000210326 [1,0,0,1,0,0|1,0,1]=4 1661 B15R1.8920 CC(=O)CCCNC1CCCCCCC1 34a_100000211152_100000685027 [1,0,0,1,0,0|2,0,0]=4 1662 B15R1.8920 CC(=O)CCCOC1CCCCCCC1 34a_100000210054_100000685027 [1,0,0,1,0,0|2,0,0]=4 1663 B15R1.8920 CC(=O)CCCOC1CCCCCCC1 7a_100000210054_100011215641 [1,0,0,1,0,0|2,0,0]=4 1664 B15R1.8920 NC(=O)CCCNC1CCCCCCC1 34a_100000211152_100102525003 [1,0,0,1,0,0|2,0,0]=4 1665 B15R1.8920 NC(=O)CCCOC1CCCCCCC1 34a_100000210054_100102525003 [1,0,0,1,0,0|2,0,0]=4 1666 B15R1.8920 NC(=O)CCCOC1CCCCCCC1 7a_100000210054_100102525003 [1,0,0,1,0,0|2,0,0]=4 1667 B15R1.8958 CC(=O)CCCNCC1CCCCCC1 34a_100015204231_100000685027 [1,0,0,1,0,0|2,0,0]=4 1668 B15R1.8958 CC(=O)CCCOCC1CCCCCC1 34a_100000699130_100000685027 [1,0,0,1,0,0|2,0,0]=4 1669 B15R1.8958 CC(=O)CCCOCC1CCCCCC1 34a_100000759063_200000696569 [1,0,0,1,0,0|2,0,0]=4 1670 B15R1.8958 CC(=O)CCCOCC1CCCCCC1 7a_100000699130_100011215641 [1,0,0,1,0,0|2,0,0]=4 1671 B15R1.8958 CC(=O)CCCOCC1CCCCCC1 7a_100000759063_200000696569 [1,0,0,1,0,0|2,0,0]=4 1672 B15R1.8958 CC(=O)CCCSCC1CCCCCC1 62a_100011215641_200000696569 [1,0,0,1,0,0|2,0,0]=4 1673 B15R1.8958 CC(=O)CCCSCC1CCCCCC1 62a_200000696569_100011215641 [1,0,0,1,0,0|2,0,0]=4 1674 B15R1.8958 NC(=O)CCCNCC1CCCCCC1 269862a_100000739312_200000763224 [1,0,0,1,0,0|2,0,0]=4 1675 B15R1.8958 NC(=O)CCCNCC1CCCCCC1 34a_100000739312_200000696569 [1,0,0,1,0,0|2,0,0]=4 1676 B15R1.8958 NC(=O)CCCNCC1CCCCCC1 34a_100015204231_100102525003 [1,0,0,1,0,0|2,0,0]=4 1677 B15R1.8958 NC(=O)CCCOCC1CCCCCC1 34a_100000699130_100102525003 [1,0,0,1,0,0|2,0,0]=4 1678 B15R1.8958 NC(=O)CCCOCC1CCCCCC1 7a_100000699130_100102525003 [1,0,0,1,0,0|2,0,0]=4 1679 B15R1.8958 NC(=O)CCCSCC1CCCCCC1 62a_100102525003_200000696569 [1,0,0,1,0,0|2,0,0]=4 1680 B15R1.8958 NC(=O)CCCSCC1CCCCCC1 62a_200000696569_100102525003 [1,0,0,1,0,0|2,0,0]=4 1681 B15R1.9274 CCCCCCCCN1CCC1C(=O)O 269956a_100000021838_100000210759 [1,0,0,1,0,0|1,0,0]=3 1682 B15R1.9274 COCCCCCCN1CCC1C(=O)O 269956a_100000021838_100011998445 [1,0,0,1,0,0|2,0,0]=4 1683 B15R1.9274 O=C(O)C1CCN1CCCCCCCO 269956a_100000021838_100000760002 [1,0,0,1,0,0|2,0,0]=4 1684 B15R1.10901 CCCN[C@@H]1CCCCCC[C@@H]1C(=O)O 269956a_200049070474_100000210207 [1,0,0,1,0,0|1,0,1]=4 1685 B15R1.12194 CC(=O)CCCN1CCCCCCCC1 269982a_100000039187_100011215641 [1,0,0,1,0,0|2,0,0]=4 1686 B15R1.12194 CC(=O)CCCN1CCCCCCCC1 34a_100000039187_100000685027 [1,0,0,1,0,0|2,0,0]=4 1687 B15R1.12194 NC(=O)CCCN1CCCCCCCC1 269982a_100000039187_100102525003 [1,0,0,1,0,0|2,0,0]=4 1688 B15R1.12194 NC(=O)CCCN1CCCCCCCC1 34a_100000039187_100102525003 [1,0,0,1,0,0|2,0,0]=4 1689 B17R1.9270 CCCCCCCC(C)N1CCC[C@H]1C(=O)O 269956a_100000743916_200011218727 [0,1,0,1,0,0|1,0,1]=4 1690 B17R1.1311 O=C(O)COCCNCCCC1CCCCC1 269956a_100000700818_100011713725 [0,1,0,1,0,0|1,0,1]=4 1691 B17R1.347 CCCC1CCCCC1OCCCC(=O)OC 34a_100011217265_100000742333 [0,1,0,1,0,0|1,0,1]=4 1692 B17R1.347 CCCC1CCCCC1OCCCC(=O)OC 7a_100011217265_100011218270 [0,1,0,1,0,0|1,0,1]=4 1693 B17R1.347 CCCC1CCCCN1CCCCC(=O)OC 2230a_100000701414_100000204269 [0,1,0,1,0,0|1,0,1]=4 1694 B17R1.347 CCCC1CCCCN1CCCCC(=O)OC 269982a_100000701414_100000204269 [0,1,0,1,0,0|1,0,1]=4 1695 B17R1.347 CCCC1CCCCN1CCCCC(=O)OC 34a_100000701414_100000204269 [0,1,0,1,0,0|1,0,1]=4 1696 B17R1.1158 COC(=O)CCCC=NNCC1CCCCC1 4a_100000740227_100000094087 [0,1,0,1,0,0|2,0,0]=4 1697 B17R1.1158 COC(=O)CCCCNCCC1CCCCC1 2230a_100000738074_100000204269 [0,1,0,1,0,0|1,0,1]=4 1698 B17R1.1158 COC(=O)CCCCNCCC1CCCCC1 34a_100000738074_100000204269 [0,1,0,1,0,0|1,0,1]=4 1699 B17R1.1158 COC(=O)CCCCOCCC1CCCCC1 34a_100000059025_100011209188 [0,1,0,1,0,0|1,0,1]=4 1700 B17R1.1158 COC(=O)CCCCOCCC1CCCCC1 34a_100011217863_100000204269 [0,1,0,1,0,0|1,0,1]=4 1701 B17R1.1158 COC(=O)CCCCOCCC1CCCCC1 7a_100000059025_100011273959 [0,1,0,1,0,0|1,0,1]=4 1702 B17R1.1158 COC(=O)CCCCOCCC1CCCCC1 7a_100011217863_100000204269 [0,1,0,1,0,0|1,0,1]=4 1703 B17R1.1158 COC(=O)CCCCSCCC1CCCCC1 62a_100000204269_100012355289 [0,1,0,1,0,0|1,0,1]=4 1704 B17R1.1158 COC(=O)CCCCSCCC1CCCCC1 62a_100012355289_100000204269 [0,1,0,1,0,0|1,0,1]=4 1705 B17R1.1158 COC(=O)CCCNCCCC1CCCCC1 2230a_100011211642_100011218270 [0,1,0,1,0,0|1,0,1]=4 1706 B17R1.1158 COC(=O)CCCNCCCC1CCCCC1 34a_100011211642_100000742333 [0,1,0,1,0,0|1,0,1]=4 1707 B17R1.1158 COC(=O)CCCOCCCC1CCCCC1 34a_100000198086_100000742333 [0,1,0,1,0,0|1,0,1]=4 1708 B17R1.1158 COC(=O)CCCOCCCC1CCCCC1 7a_100000198086_100011218270 [0,1,0,1,0,0|1,0,1]=4 1709 B17R1.1158 COC(=O)CCCSCCCC1CCCCC1 62a_100011218270_100011713725 [0,1,0,1,0,0|1,0,1]=4 1710 B17R1.1158 COC(=O)CCCSCCCC1CCCCC1 62a_100011713725_100011218270 [0,1,0,1,0,0|1,0,1]=4 1711 B17R1.1241 CCCCCCCCCNCC1CNC(=O)O1 2230a_100000212291_100000181169 [0,1,0,1,0,0|1,0,1]=4 1712 B17R1.1241 CCCCCCCCCNCC1CNC(=O)O1 34a_100000212291_100000181169 [0,1,0,1,0,0|1,0,1]=4 1713 B17R1.1241 CCCCCCCCCNCC1COC(=O)O1 34a_100000212291_100000073702 [0,1,0,1,0,0|1,0,1]=4 1714 B17R1.1241 CCCCCCCCCOCC1CNC(=O)O1 34a_100000210712_100000181169 [0,1,0,1,0,0|1,0,1]=4 1715 B17R1.1241 CCCCCCCCCOCC1CNC(=O)O1 34a_100011315639_100011214924 [0,1,0,1,0,0|1,0,1]=4 1716 B17R1.1241 CCCCCCCCCOCC1CNC(=O)O1 7a_100000210712_100000181169 [0,1,0,1,0,0|1,0,1]=4 1717 B17R1.1241 CCCCCCCCCOCC1COC(=O)O1 34a_100000210712_100000073702 [0,1,0,1,0,0|1,0,1]=4 1718 B17R1.1241 CCCCCCCCCSCC1CNC(=O)O1 62a_100000181169_100000210670 [0,1,0,1,0,0|1,0,1]=4 1719 B17R1.1241 CCCCCCCCCSCC1COC(=O)O1 62a_100000073702_100000210670 [0,1,0,1,0,0|1,0,1]=4 1720 B17R1.1377 COC(=O)CCCCNCCCC1CCCC1 2230a_100000736752_100000204269 [0,1,0,1,0,0|1,0,1]=4 1721 B17R1.1377 COC(=O)CCCCNCCCC1CCCC1 34a_100000736752_100000204269 [0,1,0,1,0,0|1,0,1]=4 1722 B17R1.1377 COC(=O)CCCCOCCCC1CCCC1 34a_100000059025_100011713738 [0,1,0,1,0,0|1,0,1]=4 1723 B17R1.1377 COC(=O)CCCCOCCCC1CCCC1 34a_100011215328_100000204269 [0,1,0,1,0,0|1,0,1]=4 1724 B17R1.1377 COC(=O)CCCCOCCCC1CCCC1 7a_100000059025_100011713738 [0,1,0,1,0,0|1,0,1]=4 1725 B17R1.1377 COC(=O)CCCCOCCCC1CCCC1 7a_100011215328_100000204269 [0,1,0,1,0,0|1,0,1]=4 1726 B17R1.1377 COC(=O)CCCCSCCCC1CCCC1 62a_100000204269_100011713738 [0,1,0,1,0,0|1,0,1]=4 1727 B17R1.1377 COC(=O)CCCCSCCCC1CCCC1 62a_100011713738_100000204269 [0,1,0,1,0,0|1,0,1]=4 1728 B17R1.1420 CCC1CCCCC1OCCCCC(=O)OC 34a_100000210738_100000204269 [0,1,0,1,0,0|1,0,1]=4 1729 B17R1.1420 CCC1CCCCC1OCCCCC(=O)OC 7a_100000210738_100000204269 [0,1,0,1,0,0|1,0,1]=4 1730 B17R1.5249 CCCCCCCC/C=C/COC1CCC1=O 34a_200020667288_100009892977 [0,1,0,1,0,0|2,0,0]=4 1731 B17R1.5249 CCCCCCCC/C=C/COC1CCC1=O 7a_200020667288_100009892977 [0,1,0,1,0,0|2,0,0]=4 1732 B17R1.7908 CCCCCCCCN1CCC[C@H]1C(=O)OC 2230a_100000752040_100000210759 [0,1,0,1,0,0|1,0,1]=4 1733 B17R1.7908 CCCCCCCCN1CCC[C@H]1C(=O)OC 269982a_100000752040_100000210759 [0,1,0,1,0,0|1,0,1]=4 1734 B17R1.24253 COC(=O)CCCCNC1CCCCCCC1 2230a_100000211152_100000204269 [0,1,0,1,0,0|1,0,1]=4 1735 B17R1.24253 COC(=O)CCCCNC1CCCCCCC1 34a_100000211152_100000204269 [0,1,0,1,0,0|1,0,1]=4 1736 B17R1.24253 COC(=O)CCCCOC1CCCCCCC1 34a_100000210054_100000204269 [0,1,0,1,0,0|1,0,1]=4 1737 B17R1.24253 COC(=O)CCCCOC1CCCCCCC1 7a_100000210054_100000204269 [0,1,0,1,0,0|1,0,1]=4 1738 B17R1.24253 COC(=O)CCCOCC1CCCCCCC1 34a_100011216312_100000742333 [0,1,0,1,0,0|1,0,1]=4 1739 B17R1.24253 COC(=O)CCCOCC1CCCCCCC1 7a_100011216312_100011218270 [0,1,0,1,0,0|1,0,1]=4 1740 B17R1.25273 CCCCCCCCCN1CC[C@H]1C(=O)OC 2230a_102516456887_100011214924 [0,1,0,1,0,0|1,0,1]=4 1741 B17R1.25273 CCCCCCCCCN1CC[C@H]1C(=O)OC 269982a_102516456887_100000210670 [0,1,0,1,0,0|1,0,1]=4 1742 B17R1.26472 COC(=O)CCCCN1CCCCCCCC1 2230a_100000039187_100000204269 [0,1,0,1,0,0|1,0,1]=4 1743 B17R1.26472 COC(=O)CCCCN1CCCCCCCC1 269982a_100000039187_100000204269 [0,1,0,1,0,0|1,0,1]=4 1744 B17R1.26472 COC(=O)CCCCN1CCCCCCCC1 34a_100000039187_100000204269 [0,1,0,1,0,0|1,0,1]=4 1745 B17R1.26506 COC(=O)CCCCNCC1CCCCCC1 2230a_100015204231_100000204269 [0,1,0,1,0,0|1,0,1]=4 1746 B17R1.26506 COC(=O)CCCCNCC1CCCCCC1 34a_100015204231_100000204269 [0,1,0,1,0,0|1,0,1]=4 1747 B17R1.26506 COC(=O)CCCCOCC1CCCCCC1 34a_100000059025_200000696569 [0,1,0,1,0,0|1,0,1]=4 1748 B17R1.26506 COC(=O)CCCCOCC1CCCCCC1 34a_100000699130_100000204269 [0,1,0,1,0,0|1,0,1]=4 1749 B17R1.26506 COC(=O)CCCCOCC1CCCCCC1 7a_100000059025_200000696569 [0,1,0,1,0,0|1,0,1]=4 1750 B17R1.26506 COC(=O)CCCCOCC1CCCCCC1 7a_100000699130_100000204269 [0,1,0,1,0,0|1,0,1]=4 1751 B17R1.26506 COC(=O)CCCCSCC1CCCCCC1 62a_100000204269_200000696569 [0,1,0,1,0,0|1,0,1]=4 1752 B17R1.26506 COC(=O)CCCCSCC1CCCCCC1 62a_200000696569_100000204269 [0,1,0,1,0,0|1,0,1]=4 1753 B17R1.26506 COC(=O)CCCNCCC1CCCCCC1 2230a_100011532351_100011218270 [0,1,0,1,0,0|1,0,1]=4 1754 B17R1.26506 COC(=O)CCCNCCC1CCCCCC1 34a_100011532351_100000742333 [0,1,0,1,0,0|1,0,1]=4 1755 B17R1.25283 CCCCCCCCN[C@H]1CC[C@H](C1)C(=O)O 269956a_100015195206_100000210759 [0,1,0,1,0,0|1,0,1]=4 1756 B17R1.29207 CCCCCCCCCN[C@H]1C[C@H](C1)C(=O)O 269956a_100000738708_100000210670 [0,1,0,1,0,0|1,0,1]=4 1757 B17R1.60419 CCCCCCCCN1CCC[C@@]1(C)C(=O)O 269956a_100009816582_100000210759 [0,1,0,1,0,0|1,0,1]=4 1758 B17R1.321 CCCCCCN1CCCCC1CCC(=O)O 269956a_100000694054_100000210757 [0,1,0,1,0,0|0,0,2]=4 1759 B17R1.5251 CCCCCCCCCN1CCC[C@H]1C(=O)O 269956a_100000743916_100000210670 [0,1,0,1,0,0|0,0,2]=4 1760 B17R1.5251 CCCCCCCCCN1CCSC1C(=O)O 269956a_100000035718_100000210670 [0,1,0,1,0,0|1,0,1]=4 1761 B17R1.5251 CCCCCCCCCN1CSC[C@H]1C(=O)O 269956a_100000743924_100000210670 [0,1,0,1,0,0|1,0,1]=4 1762 B17R1.5251 O=C(O)[C@@H]1CCCN1CCCCCCCCO 269956a_100000743916_100000033203 [0,1,0,1,0,0|1,0,1]=4 1763 B17R1.5777 CCCCCCCN1CCCCCC1C(=O)O 269956a_100000758484_100000210614 [0,1,0,1,0,0|0,0,2]=4 1764 B17R1.7901 CCCCCCCCN1CCCC[C@@H]1C(=O)O 269956a_100000763471_100000210759 [0,1,0,1,0,0|0,0,2]=4 1765 B17R1.7901 CCCCCCCCN1CCOC[C@@H]1C(=O)O 269956a_100016993156_100000210759 [0,1,0,1,0,0|1,0,1]=4 1766 B17R1.7901 CCCCCCCCN1CCSCC1C(=O)O 269956a_100011346106_100000210759 [0,1,0,1,0,0|1,0,1]=4 1767 B17R1.7901 CCCCCCCCN1CSCCC1C(=O)O 269956a_100015185162_100000210759 [0,1,0,1,0,0|1,0,1]=4 1768 B17R1.7901 CCCCCCCN[C@@H]1CCCC[C@H]1C(=O)O 269956a_100009816435_100000210614 [0,1,0,1,0,0|0,0,2]=4 1769 B17R1.17889 CCCCCN[C@@H]1CCCCCC[C@@H]1C(=O)O 269956a_200049070474_100000210326 [0,1,0,1,0,0|0,0,2]=4 1770 B17R1.29093 CCCCCCCC/C=C/COCCC1CO1 34a_200020667288_100000732470 [0,1,0,1,0,0|1,0,1]=4 1771 B17R1.29093 CCCCCCCC/C=C/COCCC1CO1 7a_200020667288_100000732470 [0,1,0,1,0,0|1,0,1]=4 1772 B17R1.29200 CCCCCCCCCCN1CCC1C(=O)O 269956a_100000021838_100000210320 [0,1,0,1,0,0|0,0,2]=4 1773 B17R1.29200 O=C(O)C1CCN1CCCCCCCCCO 269956a_100000021838_100009813782 [0,1,0,1,0,0|1,0,1]=4 1774 B17R1.753 CCCCCCCCCC(=O)C1CCC(=O)N1 1458a_100000210400_100000210670 [0,1,0,1,0,0|1,0,1]=4 1775 B17R1.753 CCCCCCCCCC(=O)[C@@H]1CCC(=O)O1 1458a_100009814974_100000210670 [0,1,0,1,0,0|0,0,1]=3 1776 B17R1.753 CCCCCCCCNC(=O)C1CCC(=O)N1 240690a_100000229939_100000210400 [0,1,0,1,0,0|2,0,0]=4 1777 B17R1.753 CCCCCCCCNC(=O)[C@@H]1CCC(=O)O1 11a_100000229939_100009814974 [0,1,0,1,0,0|1,0,0]=3 1778 B17R1.753 CCCCCCCCNC(=O)[C@@H]1CCC(=O)O1 1626a_100000229939_100009814974 [0,1,0,1,0,0|1,0,0]=3 1779 B17R1.753 CCCCCCCCNC(=O)[C@@H]1CCC(=O)O1 240690a_100000229939_100009814974 [0,1,0,1,0,0|1,0,0]=3 1780 B17R1.753 CCCCCCCCNC(=O)[C@@H]1CCC(=O)O1 527a_100000229939_100009814974 [0,1,0,1,0,0|1,0,0]=3 1781 B17R1.753 CCCCOCCCNC(=O)[C@@H]1CCC(=O)O1 1626a_200000211371_100009814974 [0,1,0,1,0,0|2,0,0]=4 1782 B17R1.753 CCCCOCCCNC(=O)[C@@H]1CCC(=O)O1 240690a_200000211371_100009814974 [0,1,0,1,0,0|2,0,0]=4 1783 B17R1.753 CCCCOCCCNC(=O)[C@@H]1CCC(=O)O1 527a_200000211371_100009814974 [0,1,0,1,0,0|2,0,0]=4 1784 B17R1.753 O=C1CC[C@H](O1)C(=O)CCCCCCCCO 1458a_100009814974_100000033203 [0,1,0,1,0,0|1,0,1]=4 1785 B17R1.753 O=C1CC[C@H](O1)C(=O)NCCCCCCCO 240690a_100011996573_100009814974 [0,1,0,1,0,0|2,0,0]=4 1786 B17R1.16611 CC(=O)CCCC(=O)CCCC1CCCCC1 1458a_100000211478_100011215641 [0,1,0,1,0,0|1,0,1]=4 1787 B17R1.16611 CN(CCCC(=O)O)CCCC1CCCCC1 269956a_100000719178_100011713725 [0,1,0,1,0,0|1,0,1]=4 1788 B17R1.16611 NC(=O)CCCC(=O)CCCC1CCCCC1 1458a_100000211478_100102525003 [0,1,0,1,0,0|1,0,1]=4 1789 B17R1.18504 CCCCCCCC=CC(=O)CC1CC(=O)C1 1458a_200015332781_100009874392 [0,1,0,1,0,0|1,0,1]=4 1790 B17R1.18504 CCCCCCCCCC(=O)CC1CC(=O)C1 1458a_100000210558_100009874392 [0,1,0,1,0,0|1,0,1]=4 1791 B17R1.25278 CCCCCCCCCN1CC(C1)CC(=O)O 269956a_100016993960_100000210670 [0,1,0,1,0,0|1,0,1]=4 1792 B17R1.103115 O=C(O)CNCC(=O)NC1CCCCCCC1 269956a_100016091260_100000183010 [0,1,0,1,0,0|2,0,0]=4 1793 B17R1.8307 O=C(O)CC(O)CNCCCC1CCCCC1 269956a_100011218706_100011713725 [0,1,0,1,0,0|1,0,1]=4 1794 B17R1.17307 CCCCCCCCN1CCC(C1)CC(=O)O 269956a_100000719201_100000210759 [0,1,0,1,0,0|1,0,1]=4 1795 B17R1.40 CCCCCCCCC(=O)[C@H]1CCCC(=O)N1 1458a_100000705292_100000210759 [0,1,0,1,0,0|1,0,1]=4 1796 B17R1.1291 CCCCCCCCC(=O)CC1CCC(=O)N1 1458a_100000026770_100000210759 [0,1,0,1,0,0|1,0,1]=4 1797 B17R1.1291 CCCCCCCCC(=O)CC1CNC(=O)O1 1458a_100000210188_100000181169 [0,1,0,1,0,0|1,0,1]=4 1798 B17R1.1291 CCCCCCCCC(=O)CC1COC(=O)O1 1458a_100000210188_100000073702 [0,1,0,1,0,0|1,0,1]=4 1799 B17R1.1291 CCCCCCCCC(=O)C[C@@H]1CCC(=O)N1 1458a_100000210188_100015189358 [0,1,0,1,0,0|1,0,1]=4 1800 B17R1.1324 CC(=O)CCCCC(=O)CCC1CCCCC1 1458a_100000211375_100000735457 [0,1,0,1,0,0|1,0,1]=4 1801 B17R1.1324 NC(=O)CCCNC(=O)CCC1CCCCC1 240690a_100000739312_100000211375 [0,1,0,1,0,0|2,0,0]=4 1802 B17R1.1324 NC(=O)CCCNC(=O)CCC1CCCCC1 527a_100000739312_100000211375 [0,1,0,1,0,0|2,0,0]=4 1803 B17R1.103001 CC(=O)CCCCC(=O)CC1CCCCCC1 1458a_100000685095_100000735457 [0,1,0,1,0,0|1,0,1]=4 1804 B17R1.103001 NC(=O)CCCNC(=O)CC1CCCCCC1 240690a_100000739312_100000685095 [0,1,0,1,0,0|2,0,0]=4 1805 B17R1.103001 NC(=O)CCCNC(=O)CC1CCCCCC1 527a_100000739312_100000685095 [0,1,0,1,0,0|2,0,0]=4 1806 B17R1.7896 CCCCCCCCN1C[C@H](C[C@H]1C(=O)O)F 269956a_100016993324_100000210759 [0,1,0,1,0,0|1,0,1]=4 1807 B17R1.7896 CCCCCCCCN1C[C@H](C[C@H]1C(=O)O)O 269956a_100000750407_100000210759 [0,1,0,1,0,0|1,0,1]=4 1808 B17R2.5663 O=C(O)C1CCN1CCCC2CCCCC2 269956a_100000021838_100011713725 [0,0,0,2,0,0|1,0,1]=4 1809 B17R2.5674 O=C(O)[C@@H]1CCCN1CCC2CCCCC2 269956a_100000743916_100011273959 [0,0,0,2,0,0|1,0,1]=4 1810 B17R2.5702 O=C(O)[C@@H]1CCCN1CCCC2CCCC2 269956a_100000743916_100011713738 [0,0,0,2,0,0|1,0,1]=4 1811 B17R2.45388 O=C(O)[C@@H]1CCCN1CC2CCCCCC2 269956a_100000743916_200000696569 [0,0,0,2,0,0|1,0,1]=4