0 B12R0.234 C#CCCCCCCNCC(=O)O 269956a_100016091260_100012276617 [0,0,0,0,0,0|1,0,3]=4 1 B12R0.234 C=C(C)CNCCCCCCCC 2230a_100000229939_100000748629 [0,0,0,0,0,0|3,0,1]=4 2 B12R0.234 C=C(C)CNCCCCCCCC 34a_100000229939_100000748629 [0,0,0,0,0,0|3,0,1]=4 3 B12R0.234 C=C(C)COCCCCCCCC 34a_100000210232_100000748629 [0,0,0,0,0,0|3,0,1]=4 4 B12R0.234 C=C(C)COCCCCCCCC 34a_100000210245_100000210759 [0,0,0,0,0,0|3,0,1]=4 5 B12R0.234 C=C(C)COCCCCCCCC 7a_100000210232_100000748629 [0,0,0,0,0,0|3,0,1]=4 6 B12R0.234 C=C(C)CSCCCCCCCC 62a_100000210759_100000211660 [0,0,0,0,0,0|3,0,1]=4 7 B12R0.234 C=C(C)CSCCCCCCCC 62a_100000748629_100000210317 [0,0,0,0,0,0|3,0,1]=4 8 B12R0.234 C=C(F)CNCCCCCCCC 2230a_100000229939_100009893438 [0,0,0,0,0,0|3,0,1]=4 9 B12R0.234 C=C(F)CNCCCCCCCC 34a_100000229939_100009893438 [0,0,0,0,0,0|3,0,1]=4 10 B12R0.234 C=C(F)COCCCCCCCC 34a_100000210232_100009893438 [0,0,0,0,0,0|3,0,1]=4 11 B12R0.234 C=C(F)COCCCCCCCC 34a_200010262243_100000210759 [0,0,0,0,0,0|3,0,1]=4 12 B12R0.234 C=C(F)COCCCCCCCC 7a_100000210232_100000042424 [0,0,0,0,0,0|3,0,1]=4 13 B12R0.234 C=C(F)CSCCCCCCCC 62a_100000042424_100000210317 [0,0,0,0,0,0|3,0,1]=4 14 B12R0.234 C=C(F)CSCCCCCCCC 62a_100000210759_100000042424 [0,0,0,0,0,0|3,0,1]=4 15 B12R0.234 C=CCCCCCCNCC(=O)O 269956a_100016091260_100011215473 [0,0,0,0,0,0|1,0,3]=4 16 B12R0.234 CC(=O)CCCCCCCCCF 1458a_200009909015_200000210301 [0,0,0,0,0,0|2,0,2]=4 17 B12R0.234 CC(=O)CCCCCCCCCO 1458a_100000070787_100009813782 [0,0,0,0,0,0|2,0,2]=4 18 B12R0.234 CC(=O)COCCCCCCCO 34a_100000211253_100000760002 [0,0,0,0,0,0|3,0,1]=4 19 B12R0.234 CC(=O)NCCCCCCCCO 240690a_102515433106_100015343762 [0,0,0,0,0,0|3,0,1]=4 20 B12R0.234 CCCCCC#CCNCC(=O)O 269956a_100016091260_100009816472 [0,0,0,0,0,0|1,0,3]=4 21 B12R0.234 CCCCCCCC=NNC(=O)C 4a_100000189765_100000210592 [0,0,0,0,0,0|3,0,1]=4 22 B12R0.234 CCCCCCCCC=CC(=O)C 1458a_100015345288_200000210301 [0,0,0,0,0,0|1,0,0]=1 23 B12R0.234 CCCCCCCCC=CC(=O)[13CH3] 1458a_100015345288_200025704644 [0,0,0,0,0,0|1,0,0]=1 24 B12R0.234 CCCCCCCCCCC(=O)C 1458a_100000070787_100000210319 [0,0,0,0,0,0|1,0,2]=3 25 B12R0.234 CCCCCCCCCCC(=O)C 1458a_100000210375_200000210301 [0,0,0,0,0,0|1,0,2]=3 26 B12R0.234 CCCCCCCCCCC(=O)[13CH3] 1458a_100000210375_200025704644 [0,0,0,0,0,0|1,0,2]=3 27 B12R0.234 CCCCCCCCCNC(=O)C 11a_100000212291_100015343762 [0,0,0,0,0,0|2,0,1]=3 28 B12R0.234 CCCCCCCCCNC(=O)C 1626a_100000212291_100015343762 [0,0,0,0,0,0|2,0,1]=3 29 B12R0.234 CCCCCCCCCNC(=O)C 240690a_100000212291_100015343762 [0,0,0,0,0,0|2,0,1]=3 30 B12R0.234 CCCCCCCCCNC(=O)C 527a_100000212291_100103153847 [0,0,0,0,0,0|2,0,1]=3 31 B12R0.234 CCCCCCCCNCC(=O)N 2230a_100000229939_100000747473 [0,0,0,0,0,0|2,0,1]=3 32 B12R0.234 CCCCCCCCNCC(=O)N 2230a_100000711301_100000210759 [0,0,0,0,0,0|2,0,1]=3 33 B12R0.234 CCCCCCCCNCC(=O)N 34a_100000229939_100000187820 [0,0,0,0,0,0|2,0,1]=3 34 B12R0.234 CCCCCCCCNCC(=O)O 269956a_100016091260_100000210759 [0,0,0,0,0,0|1,0,1]=2 35 B12R0.234 CCCCCCCCNCC(=O)[O-] 34a_100000229939_100020667443 [0,0,0,0,0,0|1,0,2]=3 36 B12R0.234 CCCCCCCCNCC(C)O 2230a_100000210904_100000210759 [0,0,0,0,0,0|2,0,2]=4 37 B12R0.234 CCCCCCCCNCC(C)O 2230a_100000229939_100011218427 [0,0,0,0,0,0|2,0,2]=4 38 B12R0.234 CCCCCCCCNCC(C)O 34a_100000210904_100000210759 [0,0,0,0,0,0|2,0,2]=4 39 B12R0.234 CCCCCCCCNCC(C)O 34a_100000229939_100011218427 [0,0,0,0,0,0|2,0,2]=4 40 B12R0.234 CCCCCCCCNC[C@@H](C)O 2230a_100000229939_100009817552 [0,0,0,0,0,0|2,0,2]=4 41 B12R0.234 CCCCCCCCNC[C@@H](C)O 34a_100000229939_100009817552 [0,0,0,0,0,0|2,0,2]=4 42 B12R0.234 CCCCCCCCNC[N+](=O)[O-] 34a_100000229939_100000761209 [0,0,0,0,0,0|2,0,2]=4 43 B12R0.234 CCCCCCCCOCC(=O)C 1458a_100000759886_200000210301 [0,0,0,0,0,0|2,0,1]=3 44 B12R0.234 CCCCCCCCOCC(=O)C 34a_100000211253_100000210759 [0,0,0,0,0,0|2,0,1]=3 45 B12R0.234 CCCCCCCCOCC(=O)N 34a_100000210232_100000187820 [0,0,0,0,0,0|2,0,1]=3 46 B12R0.234 CCCCCCCCOCC(=O)N 7a_100000210232_100000187820 [0,0,0,0,0,0|2,0,1]=3 47 B12R0.234 CCCCCCCCOCC(=O)[13CH3] 1458a_100000759886_200025704644 [0,0,0,0,0,0|2,0,1]=3 48 B12R0.234 CCCCCCCCOCC(=O)[O-] 34a_100000210232_100020667443 [0,0,0,0,0,0|1,0,2]=3 49 B12R0.234 CCCCCCCCOCC(C)O 34a_100000210232_100011218427 [0,0,0,0,0,0|2,0,2]=4 50 B12R0.234 CCCCCCCCOCC(C)O 7a_100000210232_100011218427 [0,0,0,0,0,0|2,0,2]=4 51 B12R0.234 CCCCCCCCOC[C@@H](C)O 34a_100000210232_100009817552 [0,0,0,0,0,0|2,0,2]=4 52 B12R0.234 CCCCCCCCOC[C@@H](C)O 7a_100000210232_100009817552 [0,0,0,0,0,0|2,0,2]=4 53 B12R0.234 CCCCCCCCOC[N+](=O)[O-] 34a_100000210232_100000761209 [0,0,0,0,0,0|2,0,2]=4 54 B12R0.234 CCCCCCCCSCC(=O)N 62a_100000210759_100000747473 [0,0,0,0,0,0|2,0,1]=3 55 B12R0.234 CCCCCCCCSCC(=O)N 62a_100000747473_100000210317 [0,0,0,0,0,0|2,0,1]=3 56 B12R0.234 CCCCCCCCSCC(=O)[O-] 62a_100000210759_100020667443 [0,0,0,0,0,0|1,0,2]=3 57 B12R0.234 CCCCCCCCSCC(=O)[O-] 62a_100020667443_100000210317 [0,0,0,0,0,0|1,0,2]=3 58 B12R0.234 CCCCCCCCSCC(C)O 62a_100000210759_100011218427 [0,0,0,0,0,0|2,0,2]=4 59 B12R0.234 CCCCCCCCSCC(C)O 62a_100011218427_100000210317 [0,0,0,0,0,0|2,0,2]=4 60 B12R0.234 CCCCCCCCSC[C@@H](C)O 62a_100000210759_100009817552 [0,0,0,0,0,0|2,0,2]=4 61 B12R0.234 CCCCCCCCSC[C@@H](C)O 62a_100009817552_100000210317 [0,0,0,0,0,0|2,0,2]=4 62 B12R0.234 CCCCCCCCSC[N+](=O)[O-] 62a_100000210759_100000761209 [0,0,0,0,0,0|2,0,2]=4 63 B12R0.234 CCCCCCCNCC=C(C)C 2230a_100000229938_100000761012 [0,0,0,0,0,0|3,0,1]=4 64 B12R0.234 CCCCCCCNCC=C(C)C 34a_100000718196_100000210614 [0,0,0,0,0,0|3,0,1]=4 65 B12R0.234 CCCCCCCNCCC(=O)N 2230a_100000229938_100000744528 [0,0,0,0,0,0|2,0,2]=4 66 B12R0.234 CCCCCCCNOCC(=O)O 269956a_100000106656_100000210614 [0,0,0,0,0,0|2,0,1]=3 67 B12R0.234 CCCCCCCOCC=C(C)C 34a_100000210272_100000761012 [0,0,0,0,0,0|3,0,1]=4 68 B12R0.234 CCCCCCCOCC=C(C)C 34a_100000753907_100000210614 [0,0,0,0,0,0|3,0,1]=4 69 B12R0.234 CCCCCCCOCC=C(C)C 7a_100000210272_100000761012 [0,0,0,0,0,0|3,0,1]=4 70 B12R0.234 CCCCCCCOCCC(=O)C 34a_100000759926_100000210614 [0,0,0,0,0,0|2,0,2]=4 71 B12R0.234 CCCCCCCOCCC(=O)C 7a_100000210272_100000053229 [0,0,0,0,0,0|2,0,2]=4 72 B12R0.234 CCCCCCCOCCC(=O)C 7a_100000759926_100000210614 [0,0,0,0,0,0|2,0,2]=4 73 B12R0.234 CCCCCCCOCCC(=O)N 34a_100000210272_100000731001 [0,0,0,0,0,0|2,0,2]=4 74 B12R0.234 CCCCCCCOCCC(=O)N 34a_100000757172_100000210614 [0,0,0,0,0,0|2,0,2]=4 75 B12R0.234 CCCCCCCOCCC(=O)N 7a_100000210272_100000744528 [0,0,0,0,0,0|2,0,2]=4 76 B12R0.234 CCCCCCCOCCC(=O)N 7a_100000757172_100000210614 [0,0,0,0,0,0|2,0,2]=4 77 B12R0.234 CCCCCCCOCOC(=O)C 34a_100000210272_100009813279 [0,0,0,0,0,0|3,0,1]=4 78 B12R0.234 CCCCCCCSCC=C(C)C 62a_100000210614_100000761012 [0,0,0,0,0,0|3,0,1]=4 79 B12R0.234 CCCCCCCSCC=C(C)C 62a_100000761012_100000210316 [0,0,0,0,0,0|3,0,1]=4 80 B12R0.234 CCCCCCCSCCC(=O)C 62a_100000053229_100000210316 [0,0,0,0,0,0|2,0,2]=4 81 B12R0.234 CCCCCCCSCCC(=O)C 62a_100000210614_100000053229 [0,0,0,0,0,0|2,0,2]=4 82 B12R0.234 CCCCCCCSCCC(=O)N 62a_100000210614_100000744528 [0,0,0,0,0,0|2,0,2]=4 83 B12R0.234 CCCCCCCSCCC(=O)N 62a_100000744528_100000210316 [0,0,0,0,0,0|2,0,2]=4 84 B12R0.234 CCCCCCCSCOC(=O)C 62a_100000076356_100000210316 [0,0,0,0,0,0|3,0,1]=4 85 B12R0.234 CCCCCCCSCOC(=O)C 62a_100000210614_100000076356 [0,0,0,0,0,0|3,0,1]=4 86 B12R0.234 CCCCCCNC/C=C/B(O)O 2230a_100000210581_100016262062 [0,0,0,0,0,0|2,0,1]=3 87 B12R0.234 CCCCCCNCCC=C(C)C 2230a_100000210581_100011217483 [0,0,0,0,0,0|3,0,1]=4 88 B12R0.234 CCCCCCNCCC=C(F)F 2230a_100000210581_200009816681 [0,0,0,0,0,0|3,0,1]=4 89 B12R0.234 CCCCCCNCCCC(=O)N 34a_100000739312_100000210314 [0,0,0,0,0,0|2,0,2]=4 90 B12R0.234 CCCCCCNCCNC(=O)C 2230a_100000209853_100000210314 [0,0,0,0,0,0|3,0,1]=4 91 B12R0.234 CCCCCCNCCNC(=O)C 2230a_100000210581_100000189650 [0,0,0,0,0,0|3,0,1]=4 92 B12R0.234 CCCCCCNCCNC(=O)N 2230a_100000210581_200000034859 [0,0,0,0,0,0|3,0,1]=4 93 B12R0.234 CCCCCCNCCNC(=O)N 34a_100020590234_100000210314 [0,0,0,0,0,0|3,0,1]=4 94 B12R0.234 CCCCCCOC/C=C/B(O)O 34a_100000210259_100016262062 [0,0,0,0,0,0|2,0,1]=3 95 B12R0.234 CCCCCCOC/C=C/B(O)O 7a_100000210259_100016262062 [0,0,0,0,0,0|2,0,1]=3 96 B12R0.234 CCCCCCOCCC=C(C)C 34a_100000210259_100011217483 [0,0,0,0,0,0|3,0,1]=4 97 B12R0.234 CCCCCCOCCC=C(C)C 7a_100000210259_100011217483 [0,0,0,0,0,0|3,0,1]=4 98 B12R0.234 CCCCCCOCCC=C(F)F 34a_100000210259_200009816681 [0,0,0,0,0,0|3,0,1]=4 99 B12R0.234 CCCCCCOCCC=C(F)F 7a_100000210259_200009816681 [0,0,0,0,0,0|3,0,1]=4 100 B12R0.234 CCCCCCOCCCC(=O)C 34a_100000210259_100000685027 [0,0,0,0,0,0|2,0,2]=4 101 B12R0.234 CCCCCCOCCCC(=O)C 34a_100000759063_100000210314 [0,0,0,0,0,0|2,0,2]=4 102 B12R0.234 CCCCCCOCCCC(=O)C 7a_100000210259_100011215641 [0,0,0,0,0,0|2,0,2]=4 103 B12R0.234 CCCCCCOCCCC(=O)C 7a_100000759063_100000210314 [0,0,0,0,0,0|2,0,2]=4 104 B12R0.234 CCCCCCOCCCC(=O)N 34a_100000210259_100102525003 [0,0,0,0,0,0|2,0,2]=4 105 B12R0.234 CCCCCCOCCCC(=O)N 7a_100000210259_100102525003 [0,0,0,0,0,0|2,0,2]=4 106 B12R0.234 CCCCCCOCCNC(=O)C 34a_100000158858_100000210314 [0,0,0,0,0,0|3,0,1]=4 107 B12R0.234 CCCCCCOCCNC(=O)C 7a_100000210259_100000189650 [0,0,0,0,0,0|3,0,1]=4 108 B12R0.234 CCCCCCOCCNC(=O)N 34a_100000181757_100000210314 [0,0,0,0,0,0|3,0,1]=4 109 B12R0.234 CCCCCCOCCNC(=O)N 7a_100000210259_200000034859 [0,0,0,0,0,0|3,0,1]=4 110 B12R0.234 CCCCCCOCCOC(=O)C 34a_100000210259_100009814007 [0,0,0,0,0,0|3,0,1]=4 111 B12R0.234 CCCCCCOCCOC(=O)C 7a_100000210259_100009814007 [0,0,0,0,0,0|3,0,1]=4 112 B12R0.234 CCCCCCOCCOC(=O)N 34a_100000210259_200011214921 [0,0,0,0,0,0|3,0,1]=4 113 B12R0.234 CCCCCCOCCOC(=O)N 7a_100000210259_200011214921 [0,0,0,0,0,0|3,0,1]=4 114 B12R0.234 CCCCCCOCCOC(=O)N 7a_100000766696_100000210314 [0,0,0,0,0,0|3,0,1]=4 115 B12R0.234 CCCCCCSC/C=C/B(O)O 62a_100000210314_100016262062 [0,0,0,0,0,0|2,0,1]=3 116 B12R0.234 CCCCCCSC/C=C/B(O)O 62a_100016262062_100000210757 [0,0,0,0,0,0|2,0,1]=3 117 B12R0.234 CCCCCCSCCC=C(C)C 62a_100000210314_100011217483 [0,0,0,0,0,0|3,0,1]=4 118 B12R0.234 CCCCCCSCCC=C(C)C 62a_100011217483_100000210757 [0,0,0,0,0,0|3,0,1]=4 119 B12R0.234 CCCCCCSCCC=C(F)F 62a_100000210314_200009816681 [0,0,0,0,0,0|3,0,1]=4 120 B12R0.234 CCCCCCSCCC=C(F)F 62a_200009816681_100000210757 [0,0,0,0,0,0|3,0,1]=4 121 B12R0.234 CCCCCCSCCCC(=O)C 62a_100000210314_100011215641 [0,0,0,0,0,0|2,0,2]=4 122 B12R0.234 CCCCCCSCCCC(=O)C 62a_100011215641_100000210757 [0,0,0,0,0,0|2,0,2]=4 123 B12R0.234 CCCCCCSCCCC(=O)N 62a_100000210314_100102525003 [0,0,0,0,0,0|2,0,2]=4 124 B12R0.234 CCCCCCSCCCC(=O)N 62a_100102525003_100000210757 [0,0,0,0,0,0|2,0,2]=4 125 B12R0.234 CCCCCCSCCNC(=O)C 62a_100000189650_100000210757 [0,0,0,0,0,0|3,0,1]=4 126 B12R0.234 CCCCCCSCCNC(=O)C 62a_100000210314_100000189650 [0,0,0,0,0,0|3,0,1]=4 127 B12R0.234 CCCCCCSCCNC(=O)N 62a_100000210314_200000034859 [0,0,0,0,0,0|3,0,1]=4 128 B12R0.234 CCCCCCSCCNC(=O)N 62a_200000034859_100000210757 [0,0,0,0,0,0|3,0,1]=4 129 B12R0.234 CCCCCCSCCOC(=O)C 62a_100000210314_100009814007 [0,0,0,0,0,0|3,0,1]=4 130 B12R0.234 CCCCCCSCCOC(=O)C 62a_100009814007_100000210757 [0,0,0,0,0,0|3,0,1]=4 131 B12R0.234 CCCCCCSCCOC(=O)N 62a_100000210314_200011214921 [0,0,0,0,0,0|3,0,1]=4 132 B12R0.234 CCCCCCSCCOC(=O)N 62a_200011214921_100000210757 [0,0,0,0,0,0|3,0,1]=4 133 B12R0.234 CCCCCNCCCCC(=O)N 34a_100000696515_100000718602 [0,0,0,0,0,0|2,0,2]=4 134 B12R0.234 CCCCCNCCCNC(=O)C 34a_100000736810_100000718602 [0,0,0,0,0,0|3,0,1]=4 135 B12R0.234 CCCCCNCCCSC(=O)C 2230a_100000209983_100000038929 [0,0,0,0,0,0|3,0,1]=4 136 B12R0.234 CCCCCNCCOCC(=O)N 2230a_100000209983_100000076697 [0,0,0,0,0,0|3,0,1]=4 137 B12R0.234 CCCCCNCCOCC(=O)N 34a_100000224656_100000187820 [0,0,0,0,0,0|3,0,1]=4 138 B12R0.234 CCCCCNCCOCC(=O)O 269956a_100000700818_100000210326 [0,0,0,0,0,0|2,0,1]=3 139 B12R0.234 CCCCCNCCOCC(=O)[O-] 34a_100000224656_100020667443 [0,0,0,0,0,0|2,0,2]=4 140 B12R0.234 CCCCCOCCCCC(=O)C 34a_100000210253_100009817362 [0,0,0,0,0,0|2,0,2]=4 141 B12R0.234 CCCCCOCCCCC(=O)C 7a_100000210253_100000735457 [0,0,0,0,0,0|2,0,2]=4 142 B12R0.234 CCCCCOCCCCC(=O)N 34a_100012022536_100000718602 [0,0,0,0,0,0|2,0,2]=4 143 B12R0.234 CCCCCOCCCCC(=O)N 7a_100012022536_100000210326 [0,0,0,0,0,0|2,0,2]=4 144 B12R0.234 CCCCCOCCCNC(=O)C 34a_100000752032_100000718602 [0,0,0,0,0,0|3,0,1]=4 145 B12R0.234 CCCCCOCCCOC(=O)C 34a_100000210253_100000042594 [0,0,0,0,0,0|3,0,1]=4 146 B12R0.234 CCCCCOCCCOC(=O)C 7a_100000210253_100000042594 [0,0,0,0,0,0|3,0,1]=4 147 B12R0.234 CCCCCOCCCSC(=O)C 34a_100000210253_100000038929 [0,0,0,0,0,0|3,0,1]=4 148 B12R0.234 CCCCCOCCCSC(=O)C 7a_100000210253_100000038929 [0,0,0,0,0,0|3,0,1]=4 149 B12R0.234 CCCCCOCCOCC(=O)N 34a_100000210253_100000076697 [0,0,0,0,0,0|3,0,1]=4 150 B12R0.234 CCCCCOCCOCC(=O)N 34a_100011215259_100000187820 [0,0,0,0,0,0|3,0,1]=4 151 B12R0.234 CCCCCOCCOCC(=O)N 7a_100000210253_100000076697 [0,0,0,0,0,0|3,0,1]=4 152 B12R0.234 CCCCCOCCOCC(=O)N 7a_100011215259_100000187820 [0,0,0,0,0,0|3,0,1]=4 153 B12R0.234 CCCCCOCCOCC(=O)[O-] 34a_100011215259_100020667443 [0,0,0,0,0,0|2,0,2]=4 154 B12R0.234 CCCCCSCCCCC(=O)C 62a_100000210326_100000735457 [0,0,0,0,0,0|2,0,2]=4 155 B12R0.234 CCCCCSCCCCC(=O)C 62a_100000735457_100000210326 [0,0,0,0,0,0|2,0,2]=4 156 B12R0.234 CCCCCSCCCOC(=O)C 62a_100000042594_100000210326 [0,0,0,0,0,0|3,0,1]=4 157 B12R0.234 CCCCCSCCCOC(=O)C 62a_100000210326_100000042594 [0,0,0,0,0,0|3,0,1]=4 158 B12R0.234 CCCCCSCCCSC(=O)C 62a_100000038929_100000210326 [0,0,0,0,0,0|3,0,1]=4 159 B12R0.234 CCCCCSCCCSC(=O)C 62a_100000210326_100000038929 [0,0,0,0,0,0|3,0,1]=4 160 B12R0.234 CCCCCSCCOCC(=O)N 62a_100000076697_100000210326 [0,0,0,0,0,0|3,0,1]=4 161 B12R0.234 CCCCCSCCOCC(=O)N 62a_100000210326_100000076697 [0,0,0,0,0,0|3,0,1]=4 162 B12R0.234 CCCCNCCC/C=C/B(O)O 2230a_100000102301_200016261450 [0,0,0,0,0,0|2,0,1]=3 163 B12R0.234 CCCCNCCC/C=C/B(O)O 7a_106832991798_200016261450 [0,0,0,0,0,0|2,0,1]=3 164 B12R0.234 CCCCNCCCCCC(=O)N 2230a_100000102301_100009817443 [0,0,0,0,0,0|2,0,2]=4 165 B12R0.234 CCCCNCCCCCC(=O)N 7a_106832991798_100009817443 [0,0,0,0,0,0|2,0,2]=4 166 B12R0.234 CCCCNCCCCNC(=O)C 2230a_200011368371_100000210211 [0,0,0,0,0,0|3,0,1]=4 167 B12R0.234 CCCCNCCCCNC(=O)C 34a_200011368371_100000210210 [0,0,0,0,0,0|3,0,1]=4 168 B12R0.234 CCCCNCCCCOC(=O)C 7a_106832991798_100000033659 [0,0,0,0,0,0|3,0,1]=4 169 B12R0.234 CCCCNCCCCSC(=O)C 2230a_100000102301_200010402107 [0,0,0,0,0,0|3,0,1]=4 170 B12R0.234 CCCCNCCCCSC(=O)C 7a_106832991798_200010402107 [0,0,0,0,0,0|3,0,1]=4 171 B12R0.234 CCCCOCCC/C=C/B(O)O 34a_100000210227_200016261450 [0,0,0,0,0,0|2,0,1]=3 172 B12R0.234 CCCCOCCC/C=C/B(O)O 7a_100000210227_200016261450 [0,0,0,0,0,0|2,0,1]=3 173 B12R0.234 CCCCOCCCCCC(=O)N 34a_100000123541_100000210210 [0,0,0,0,0,0|2,0,2]=4 174 B12R0.234 CCCCOCCCCCC(=O)N 34a_100000210227_100009817443 [0,0,0,0,0,0|2,0,2]=4 175 B12R0.234 CCCCOCCCCCC(=O)N 7a_100000123541_100000210211 [0,0,0,0,0,0|2,0,2]=4 176 B12R0.234 CCCCOCCCCCC(=O)N 7a_100000210227_100009817443 [0,0,0,0,0,0|2,0,2]=4 177 B12R0.234 CCCCOCCCCCC(=O)[O-] 7a_100102619762_100000210211 [0,0,0,0,0,0|1,0,3]=4 178 B12R0.234 CCCCOCCCCOC(=O)C 34a_100000073216_100000210210 [0,0,0,0,0,0|3,0,1]=4 179 B12R0.234 CCCCOCCCCOC(=O)C 34a_100000210227_100000033659 [0,0,0,0,0,0|3,0,1]=4 180 B12R0.234 CCCCOCCCCOC(=O)C 7a_100000073216_100000210211 [0,0,0,0,0,0|3,0,1]=4 181 B12R0.234 CCCCOCCCCOC(=O)C 7a_100000210227_100000033659 [0,0,0,0,0,0|3,0,1]=4 182 B12R0.234 CCCCOCCCCSC(=O)C 34a_100000210227_200010402107 [0,0,0,0,0,0|3,0,1]=4 183 B12R0.234 CCCCOCCCCSC(=O)C 7a_100000210227_200010402107 [0,0,0,0,0,0|3,0,1]=4 184 B12R0.234 CCCCOCCCNCC(=O)N 2230a_200000211371_100000747473 [0,0,0,0,0,0|3,0,1]=4 185 B12R0.234 CCCCOCCCNCC(=O)N 34a_200000211371_100000187820 [0,0,0,0,0,0|3,0,1]=4 186 B12R0.234 CCCCOCCCNCC(=O)[O-] 34a_200000211371_100020667443 [0,0,0,0,0,0|2,0,2]=4 187 B12R0.234 CCCCOCCCOCC(=O)N 34a_200011215613_100000187820 [0,0,0,0,0,0|3,0,1]=4 188 B12R0.234 CCCCOCCCOCC(=O)N 7a_200011215613_100000187820 [0,0,0,0,0,0|3,0,1]=4 189 B12R0.234 CCCCOCCCOCC(=O)[O-] 34a_200011215613_100020667443 [0,0,0,0,0,0|2,0,2]=4 190 B12R0.234 CCCCOCCNOCC(=O)O 269956a_100000106656_100000743108 [0,0,0,0,0,0|3,0,1]=4 191 B12R0.234 CCCCOCSC/C=C/B(O)O 62a_100011995733_100016262062 [0,0,0,0,0,0|3,0,1]=4 192 B12R0.234 CCCCOCSC/C=C/B(O)O 62a_100016262062_100011995733 [0,0,0,0,0,0|3,0,1]=4 193 B12R0.234 CCCCSCCC/C=C/B(O)O 62a_100000210211_200016261450 [0,0,0,0,0,0|2,0,1]=3 194 B12R0.234 CCCCSCCC/C=C/B(O)O 62a_200016261450_100000210210 [0,0,0,0,0,0|2,0,1]=3 195 B12R0.234 CCCCSCCCCCC(=O)N 62a_100000210211_100009817443 [0,0,0,0,0,0|2,0,2]=4 196 B12R0.234 CCCCSCCCCCC(=O)N 62a_100009817443_100000210210 [0,0,0,0,0,0|2,0,2]=4 197 B12R0.234 CCCCSCCCCOC(=O)C 62a_100000033659_100000210210 [0,0,0,0,0,0|3,0,1]=4 198 B12R0.234 CCCCSCCCCOC(=O)C 62a_100000210211_100000033659 [0,0,0,0,0,0|3,0,1]=4 199 B12R0.234 CCCCSCCCCSC(=O)C 62a_100000210211_200010402107 [0,0,0,0,0,0|3,0,1]=4 200 B12R0.234 CCCCSCCCCSC(=O)C 62a_200010402107_100000210210 [0,0,0,0,0,0|3,0,1]=4 201 B12R0.234 CCCNCCCCCNC(=O)C 2230a_200012022750_100000210303 [0,0,0,0,0,0|3,0,1]=4 202 B12R0.234 CCCNCCCCCNC(=O)C 34a_200012022750_100000210303 [0,0,0,0,0,0|3,0,1]=4 203 B12R0.234 CCCOCCCCCOC(=O)C 34a_100000210258_100000033007 [0,0,0,0,0,0|3,0,1]=4 204 B12R0.234 CCCOCCNC/C=C/B(O)O 2230a_100161115042_100016262062 [0,0,0,0,0,0|3,0,1]=4 205 B12R0.234 CCCOCCNC/C=C/B(O)O 34a_100161115042_100016262062 [0,0,0,0,0,0|3,0,1]=4 206 B12R0.234 CCCOCCOC/C=C/B(O)O 34a_100000752267_100016262062 [0,0,0,0,0,0|3,0,1]=4 207 B12R0.234 CCCOCCOC/C=C/B(O)O 7a_100000752267_100016262062 [0,0,0,0,0,0|3,0,1]=4 208 B12R0.234 CCCOCCSC/C=C/B(O)O 62a_100011215938_100016262062 [0,0,0,0,0,0|3,0,1]=4 209 B12R0.234 CCCOCCSC/C=C/B(O)O 62a_100016262062_100011215938 [0,0,0,0,0,0|3,0,1]=4 210 B12R0.234 CCCSCCCCCOC(=O)C 62a_100000033007_100000210303 [0,0,0,0,0,0|3,0,1]=4 211 B12R0.234 CCCSCCCCCOC(=O)C 62a_100000210303_100000033007 [0,0,0,0,0,0|3,0,1]=4 212 B12R0.234 CCCSCCNC/C=C/B(O)O 2230a_100020603323_100016262062 [0,0,0,0,0,0|3,0,1]=4 213 B12R0.234 CCCSCCOC/C=C/B(O)O 34a_200000230433_100016262062 [0,0,0,0,0,0|3,0,1]=4 214 B12R0.234 CCCSCCOC/C=C/B(O)O 7a_200000230433_100016262062 [0,0,0,0,0,0|3,0,1]=4 215 B12R0.234 CCNCCCCCCNC(=O)C 2230a_200011996284_100000210202 [0,0,0,0,0,0|3,0,1]=4 216 B12R0.234 CCNCCCCCCNC(=O)C 34a_200011996284_100000210202 [0,0,0,0,0,0|3,0,1]=4 217 B12R0.234 CCNCCOCCOCC(=O)O 269956a_100009854275_100000210202 [0,0,0,0,0,0|3,0,1]=4 218 B12R0.234 CCOCCCNC/C=C/B(O)O 2230a_100000210961_100016262062 [0,0,0,0,0,0|3,0,1]=4 219 B12R0.234 CCOCCCNC/C=C/B(O)O 34a_100000210961_100016262062 [0,0,0,0,0,0|3,0,1]=4 220 B12R0.234 CCOCCCOC/C=C/B(O)O 34a_100000757476_100016262062 [0,0,0,0,0,0|3,0,1]=4 221 B12R0.234 CCOCCCOC/C=C/B(O)O 7a_100000757476_100016262062 [0,0,0,0,0,0|3,0,1]=4 222 B12R0.234 CCOCCCSC/C=C/B(O)O 62a_100012232248_100016262062 [0,0,0,0,0,0|3,0,1]=4 223 B12R0.234 CCOCCCSC/C=C/B(O)O 62a_100016262062_100012232248 [0,0,0,0,0,0|3,0,1]=4 224 B12R0.234 CCOCCNCCOCC(=O)O 269956a_100000700818_100000210147 [0,0,0,0,0,0|3,0,1]=4 225 B12R0.234 CCOCCOCCNCC(=O)O 269956a_100016091260_100011211534 [0,0,0,0,0,0|3,0,1]=4 226 B12R0.234 CCOCSCCC/C=C/B(O)O 62a_100000739092_200016261450 [0,0,0,0,0,0|3,0,1]=4 227 B12R0.234 CCOCSCCC/C=C/B(O)O 62a_200016261450_100000739092 [0,0,0,0,0,0|3,0,1]=4 228 B12R0.234 CCSCCCOC/C=C/B(O)O 34a_100011216438_100016262062 [0,0,0,0,0,0|3,0,1]=4 229 B12R0.234 CCSCCCOC/C=C/B(O)O 7a_100011216438_100016262062 [0,0,0,0,0,0|3,0,1]=4 230 B12R0.234 CCSCCNCCOCC(=O)O 269956a_100000700818_100000757381 [0,0,0,0,0,0|3,0,1]=4 231 B12R0.234 COCCCCCCNCC(=O)N 2230a_100000711301_100011998445 [0,0,0,0,0,0|3,0,1]=4 232 B12R0.234 COCCCCCCNCC(=O)O 269956a_100016091260_100011998445 [0,0,0,0,0,0|2,0,1]=3 233 B12R0.234 COCCCCCCOCC(=O)C 34a_100000211253_100011998445 [0,0,0,0,0,0|3,0,1]=4 234 B12R0.234 COCCCCCCOCC(=O)N 34a_200012092642_100000187820 [0,0,0,0,0,0|3,0,1]=4 235 B12R0.234 COCCCCCCOCC(=O)N 7a_200012092642_100000187820 [0,0,0,0,0,0|3,0,1]=4 236 B12R0.234 COCCCCCCOCC(=O)[O-] 34a_200012092642_100020667443 [0,0,0,0,0,0|2,0,2]=4 237 B12R0.234 COCCCCCCSCC(=O)N 62a_100000747473_100011998445 [0,0,0,0,0,0|3,0,1]=4 238 B12R0.234 COCCCCCCSCC(=O)N 62a_100011998445_100000747473 [0,0,0,0,0,0|3,0,1]=4 239 B12R0.234 COCCCCCCSCC(=O)[O-] 62a_100011998445_100020667443 [0,0,0,0,0,0|2,0,2]=4 240 B12R0.234 COCCCCCCSCC(=O)[O-] 62a_100020667443_100011998445 [0,0,0,0,0,0|2,0,2]=4 241 B12R0.234 COCCCCOC/C=C/B(O)O 34a_100000740925_100016262062 [0,0,0,0,0,0|3,0,1]=4 242 B12R0.234 COCCCCSC/C=C/B(O)O 62a_100000730899_100016262062 [0,0,0,0,0,0|3,0,1]=4 243 B12R0.234 COCCCCSC/C=C/B(O)O 62a_100016262062_100000730899 [0,0,0,0,0,0|3,0,1]=4 244 B12R0.234 COCCCNCCOCC(=O)O 269956a_100000700818_100000740836 [0,0,0,0,0,0|3,0,1]=4 245 B12R0.234 COCCNCCC/C=C/B(O)O 2230a_100000209980_200016261450 [0,0,0,0,0,0|3,0,1]=4 246 B12R0.234 COCCOCCC/C=C/B(O)O 34a_100000210237_200016261450 [0,0,0,0,0,0|3,0,1]=4 247 B12R0.234 COCCOCCCNCC(=O)O 269956a_100016091260_100011216529 [0,0,0,0,0,0|3,0,1]=4 248 B12R0.234 COCCSCCC/C=C/B(O)O 62a_100000233755_200016261450 [0,0,0,0,0,0|3,0,1]=4 249 B12R0.234 COCCSCCC/C=C/B(O)O 62a_200016261450_100000233755 [0,0,0,0,0,0|3,0,1]=4 250 B12R0.234 CSCCCCOC/C=C/B(O)O 34a_100011217163_100016262062 [0,0,0,0,0,0|3,0,1]=4 251 B12R0.234 CSCCCCOC/C=C/B(O)O 7a_100011217163_100016262062 [0,0,0,0,0,0|3,0,1]=4 252 B12R0.234 CSCCNCCC/C=C/B(O)O 2230a_100020590264_200016261450 [0,0,0,0,0,0|3,0,1]=4 253 B12R0.234 CSCCOCCC/C=C/B(O)O 34a_100000230434_200016261450 [0,0,0,0,0,0|3,0,1]=4 254 B12R0.234 CSCCOCCC/C=C/B(O)O 7a_100000230434_200016261450 [0,0,0,0,0,0|3,0,1]=4 255 B12R0.234 CSCCSCCC/C=C/B(O)O 62a_100000212216_200016261450 [0,0,0,0,0,0|3,0,1]=4 256 B12R0.234 CSCCSCCC/C=C/B(O)O 62a_200016261450_100000751147 [0,0,0,0,0,0|3,0,1]=4 257 B12R0.234 N#CCCCCCCNCC(=O)O 269956a_100016091260_100009813337 [0,0,0,0,0,0|2,0,2]=4 258 B12R0.234 NC(=O)CNCCCCCCCO 2230a_100000711301_100000760002 [0,0,0,0,0,0|3,0,1]=4 259 B12R0.234 NC(=O)CNCCCCCCCO 2230a_100011996573_100000747473 [0,0,0,0,0,0|3,0,1]=4 260 B12R0.234 NC(=O)CNCCCCCCCO 34a_100011996573_100000187820 [0,0,0,0,0,0|3,0,1]=4 261 B12R0.234 NC(=O)COCCCCCCCBr 34a_100000760002_100000187820 [0,0,0,0,0,0|3,0,1]=4 262 B12R0.234 NC(=O)COCCCCCCCBr 7a_100000760002_100000187820 [0,0,0,0,0,0|3,0,1]=4 263 B12R0.234 NC(=O)CSCCCCCCCO 62a_100000747473_100000760002 [0,0,0,0,0,0|3,0,1]=4 264 B12R0.234 NC(=O)CSCCCCCCCO 62a_100000760002_100000747473 [0,0,0,0,0,0|3,0,1]=4 265 B12R0.234 NCCCCCCCOCC(=O)N 34a_100011996573_100000187820 [0,0,0,0,0,0|3,0,1]=4 266 B12R0.234 NCCCCCCCOCC(=O)[O-] 34a_100011996573_100020667443 [0,0,0,0,0,0|2,0,2]=4 267 B12R0.234 NCCCCCOC/C=C/B(O)O 34a_100000762737_100016262062 [0,0,0,0,0,0|3,0,1]=4 268 B12R0.234 NCCCOCCC/C=C/B(O)O 34a_100000182051_200016261450 [0,0,0,0,0,0|3,0,1]=4 269 B12R0.234 O=C(O)CNCCCCCCCO 269956a_100016091260_100000760002 [0,0,0,0,0,0|2,0,1]=3 270 B12R0.234 O=C(O)COCCNCCCCF 269956a_100000700818_100000729493 [0,0,0,0,0,0|3,0,1]=4 271 B12R0.234 O=C(O)COCCNCCCCO 269956a_100000700818_100000210776 [0,0,0,0,0,0|3,0,1]=4 272 B12R0.234 O=C(O)CONCCCCCCF 269956a_100000106656_100015922095 [0,0,0,0,0,0|3,0,1]=4 273 B12R0.234 O=C(O)CONCCCCCCO 269956a_100000106656_100000766143 [0,0,0,0,0,0|3,0,1]=4 274 B12R0.234 O=C([O-])CNCCCCCCCO 34a_100011996573_100020667443 [0,0,0,0,0,0|2,0,2]=4 275 B12R0.234 O=C([O-])COCCCCCCCBr 34a_100000760002_100020667443 [0,0,0,0,0,0|2,0,2]=4 276 B12R0.234 O=C([O-])CSCCCCCCCO 62a_100000760002_100020667443 [0,0,0,0,0,0|2,0,2]=4 277 B12R0.234 O=C([O-])CSCCCCCCCO 62a_100020667443_100000760002 [0,0,0,0,0,0|2,0,2]=4 278 B12R0.234 OB(O)/C=C/CCCNCCCF 2230a_100015189416_200016261450 [0,0,0,0,0,0|3,0,1]=4 279 B12R0.234 OB(O)/C=C/CCCNCCCF 34a_100015189416_200016261450 [0,0,0,0,0,0|3,0,1]=4 280 B12R0.234 OB(O)/C=C/CCCOCCCBr 34a_100011217188_200016261450 [0,0,0,0,0,0|3,0,1]=4 281 B12R0.234 OB(O)/C=C/CCCOCCCCl 34a_100000230001_200016261450 [0,0,0,0,0,0|3,0,1]=4 282 B12R0.234 OB(O)/C=C/CCCOCCCF 34a_100000759539_200016261450 [0,0,0,0,0,0|3,0,1]=4 283 B12R0.234 OB(O)/C=C/CCCSCCCF 62a_100011934791_200016261450 [0,0,0,0,0,0|3,0,1]=4 284 B12R0.234 OB(O)/C=C/CCCSCCCF 62a_200016261450_100011934791 [0,0,0,0,0,0|3,0,1]=4 285 B12R0.234 OB(O)/C=C/COCCCCCBr 34a_100000746331_100016262062 [0,0,0,0,0,0|3,0,1]=4 286 B12R0.234 OB(O)/C=C/COCCCCCBr 7a_100000746331_100016262062 [0,0,0,0,0,0|3,0,1]=4 287 B12R0.234 OB(O)/C=C/COCCCCCCl 34a_100000746330_100016262062 [0,0,0,0,0,0|3,0,1]=4 288 B12R0.234 OB(O)/C=C/COCCCCCCl 7a_100000746330_100016262062 [0,0,0,0,0,0|3,0,1]=4 289 B12R0.234 OB(O)/C=C/COCCCCCI 34a_200012148887_100016262062 [0,0,0,0,0,0|3,0,1]=4 290 B12R0.234 OB(O)/C=C/COCCCCCI 7a_200012148887_100016262062 [0,0,0,0,0,0|3,0,1]=4 291 B12R0.234 OB(O)/C=C/CSCCCCCF 62a_100000729378_100016262062 [0,0,0,0,0,0|3,0,1]=4 292 B12R0.234 OB(O)/C=C/CSCCCCCF 62a_100016262062_100000729378 [0,0,0,0,0,0|3,0,1]=4 293 B12R0.234 OCCCCCNC/C=C/B(O)O 2230a_100000762737_100016262062 [0,0,0,0,0,0|3,0,1]=4 294 B12R0.234 OCCCCCNC/C=C/B(O)O 34a_100000762737_100016262062 [0,0,0,0,0,0|3,0,1]=4 295 B12R0.234 OCCCCCSC/C=C/B(O)O 62a_100000746330_100016262062 [0,0,0,0,0,0|3,0,1]=4 296 B12R0.234 OCCCCCSC/C=C/B(O)O 62a_100016262062_100000746330 [0,0,0,0,0,0|3,0,1]=4 297 B12R0.234 OCCCSCCC/C=C/B(O)O 62a_100011215043_200016261450 [0,0,0,0,0,0|3,0,1]=4 298 B12R0.234 OCCCSCCC/C=C/B(O)O 62a_200016261450_100011215043 [0,0,0,0,0,0|3,0,1]=4 299 B12R0.234 [13CH3]C(=O)CCCCCCCCCF 1458a_200009909015_200025704644 [0,0,0,0,0,0|2,0,2]=4 300 B11R0.3 C/C=C/C=C/COCCCCC 34a_100016283227_100000718602 [1,0,0,0,0,0|2,0,1]=4 301 B11R0.3 C/C=C/CCOCCCCCC 34a_100016278192_100000210314 [1,0,0,0,0,0|2,0,1]=4 302 B11R0.3 C/C=C/COCCCCCCC 34a_100000210272_100102629194 [1,0,0,0,0,0|2,0,1]=4 303 B11R0.3 C/C=C/COCCCCCCC 34a_100016270725_100000210614 [1,0,0,0,0,0|2,0,1]=4 304 B11R0.3 C/C=C/COCCCCCCC 7a_100000210272_100102629194 [1,0,0,0,0,0|2,0,1]=4 305 B11R0.3 C/C=C/CSCCCCCCC 62a_100000210614_100102629194 [1,0,0,0,0,0|2,0,1]=4 306 B11R0.3 C/C=C/CSCCCCCCC 62a_100102629194_100000210316 [1,0,0,0,0,0|2,0,1]=4 307 B11R0.3 C=CCNCCCCCCCC 2230a_100000229939_100000210623 [1,0,0,0,0,0|2,0,1]=4 308 B11R0.3 C=CCNCCCCCCCC 2230a_100020586998_100000210759 [1,0,0,0,0,0|2,0,1]=4 309 B11R0.3 C=CCNCCCCCCCC 34a_100000229939_100015514636 [1,0,0,0,0,0|2,0,1]=4 310 B11R0.3 C=CCOCCCCCCCC 34a_100000210232_100015514636 [1,0,0,0,0,0|2,0,1]=4 311 B11R0.3 C=CCOCCCCCCCC 34a_200000210373_100000210759 [1,0,0,0,0,0|2,0,1]=4 312 B11R0.3 C=CCOCCCCCCCC 7a_100000210232_100015514636 [1,0,0,0,0,0|2,0,1]=4 313 B11R0.3 C=CCSCCCCCCCC 62a_100000210623_100000210317 [1,0,0,0,0,0|2,0,1]=4 314 B11R0.3 C=CCSCCCCCCCC 62a_100000210759_100000210623 [1,0,0,0,0,0|2,0,1]=4 315 B11R0.3 CC/C=C/CCCOCCCC 34a_100016287902_100000210210 [1,0,0,0,0,0|2,0,1]=4 316 B11R0.3 CC/C=C/CCCOCCCC 7a_100016287902_100000210211 [1,0,0,0,0,0|2,0,1]=4 317 B11R0.3 CC/C=C\CCCCCNCC 269862a_100015525214_100016288537 [1,0,0,0,0,0|2,0,1]=4 318 B11R0.3 CC/C=C\CCCCCOCC 34a_100016268722_100000210202 [1,0,0,0,0,0|2,0,1]=4 319 B11R0.3 CC/C=C\CCCCCOCC 7a_100016268722_100000210202 [1,0,0,0,0,0|2,0,1]=4 320 B11R0.3 CC/C=C\CCCCOCCC 34a_100016287862_100000210303 [1,0,0,0,0,0|2,0,1]=4 321 B11R0.3 CC/C=C\CCCCOCCC 7a_100016287862_100000210303 [1,0,0,0,0,0|2,0,1]=4 322 B11R0.3 CC/C=C\CCNCCCCC 2230a_100000209983_100015370543 [1,0,0,0,0,0|2,0,1]=4 323 B11R0.3 CC/C=C\CCOCCCCC 34a_100000210253_100015370543 [1,0,0,0,0,0|2,0,1]=4 324 B11R0.3 CC/C=C\CCOCCCCC 34a_100016288707_100000718602 [1,0,0,0,0,0|2,0,1]=4 325 B11R0.3 CC/C=C\CCOCCCCC 7a_100000210253_100015370543 [1,0,0,0,0,0|2,0,1]=4 326 B11R0.3 CC/C=C\CCOCCCCC 7a_100016288707_100000210326 [1,0,0,0,0,0|2,0,1]=4 327 B11R0.3 CC/C=C\CCSCCCCC 62a_100000210326_100015370543 [1,0,0,0,0,0|2,0,1]=4 328 B11R0.3 CC/C=C\CCSCCCCC 62a_100015370543_100000210326 [1,0,0,0,0,0|2,0,1]=4 329 B11R0.3 CC/C=C\CNCCCCCC 2230a_100000210581_100103147603 [1,0,0,0,0,0|2,0,1]=4 330 B11R0.3 CC/C=C\COCCCCCC 34a_100000210259_100103147603 [1,0,0,0,0,0|2,0,1]=4 331 B11R0.3 CC/C=C\COCCCCCC 34a_100016268518_100000210314 [1,0,0,0,0,0|2,0,1]=4 332 B11R0.3 CC/C=C\COCCCCCC 7a_100000210259_100103147603 [1,0,0,0,0,0|2,0,1]=4 333 B11R0.3 CC/C=C\CSCCCCCC 62a_100000210314_100103147603 [1,0,0,0,0,0|2,0,1]=4 334 B11R0.3 CC/C=C\CSCCCCCC 62a_100103147603_100000210757 [1,0,0,0,0,0|2,0,1]=4 335 B11R0.3 CC=C=CCCOCCCCC 34a_100011020354_100000718602 [1,0,0,0,0,0|2,0,1]=4 336 B11R0.3 CC=CCCCOCCCCC 34a_100020645299_100000718602 [1,0,0,0,0,0|2,0,1]=4 337 B11R0.3 CC=CCNCCCCCCC 2230a_100000229938_100000070051 [1,0,0,0,0,0|2,0,1]=4 338 B11R0.3 CC=CCOCCCCCCC 34a_100000210272_100000070051 [1,0,0,0,0,0|2,0,1]=4 339 B11R0.3 CC=CCOCCCCCCC 7a_100000210272_100000070051 [1,0,0,0,0,0|2,0,1]=4 340 B11R0.3 CC=CCSCCCCCCC 62a_100000070051_100000210316 [1,0,0,0,0,0|2,0,1]=4 341 B11R0.3 CC=CCSCCCCCCC 62a_100000210614_100000070051 [1,0,0,0,0,0|2,0,1]=4 342 B11R0.3 CCCCCCCCNCC=O 2230a_100000229939_200015260668 [1,0,0,0,0,0|1,0,1]=3 343 B11R0.3 CCCCCCCCNCC=O 34a_100000229939_200009817547 [1,0,0,0,0,0|1,0,1]=3 344 B11R0.3 CCCCCCCCNCCO 2230a_100000229939_100000211926 [1,0,0,0,0,0|1,0,2]=4 345 B11R0.3 CCCCCCCCNCCO 2230a_100016997473_100000210759 [1,0,0,0,0,0|1,0,2]=4 346 B11R0.3 CCCCCCCCNCCO 34a_100000229939_100000211926 [1,0,0,0,0,0|1,0,2]=4 347 B11R0.3 CCCCCCCCNCCO 34a_100016990907_100000210759 [1,0,0,0,0,0|1,0,2]=4 348 B11R0.3 CCCCCCCCOCC=O 34a_100000210232_200009817547 [1,0,0,0,0,0|1,0,1]=3 349 B11R0.3 CCCCCCCCOCC=O 7a_100000210232_200015260668 [1,0,0,0,0,0|1,0,1]=3 350 B11R0.3 CCCCCCCCOCCO 34a_100000210232_100000211926 [1,0,0,0,0,0|1,0,2]=4 351 B11R0.3 CCCCCCCCOCCO 7a_100000210232_100000211926 [1,0,0,0,0,0|1,0,2]=4 352 B11R0.3 CCCCCCCCSCC=O 62a_100000210759_200015260668 [1,0,0,0,0,0|1,0,1]=3 353 B11R0.3 CCCCCCCCSCC=O 62a_200015260668_100000210317 [1,0,0,0,0,0|1,0,1]=3 354 B11R0.3 CCCCCCCCSCCO 62a_100000210759_100000211926 [1,0,0,0,0,0|1,0,2]=4 355 B11R0.3 CCCCCCCCSCCO 62a_100000211926_100000210317 [1,0,0,0,0,0|1,0,2]=4 356 B11R0.3 CCCCCCNCCCC=O 2230a_100000210581_200011292268 [1,0,0,0,0,0|1,0,2]=4 357 B11R0.3 CCCCCCOCCCC=O 7a_100000210259_200011292268 [1,0,0,0,0,0|1,0,2]=4 358 B11R0.3 CCCCCCSCCCC=O 62a_100000210314_200011292268 [1,0,0,0,0,0|1,0,2]=4 359 B11R0.3 CCCCCCSCCCC=O 62a_200011292268_100000210757 [1,0,0,0,0,0|1,0,2]=4 360 B11R0.3 CCCCCNCCCCC=O 2230a_100000209983_100000139335 [1,0,0,0,0,0|1,0,2]=4 361 B11R0.3 CCCCCNCCOCC=O 34a_100000224656_200009817547 [1,0,0,0,0,0|2,0,1]=4 362 B11R0.3 CCCCCOCCCCC=O 7a_100000210253_100000139335 [1,0,0,0,0,0|1,0,2]=4 363 B11R0.3 CCCCCOCCOCC=O 34a_100011215259_200009817547 [1,0,0,0,0,0|2,0,1]=4 364 B11R0.3 CCCCCOCCOCC=O 7a_100011215259_200015260668 [1,0,0,0,0,0|2,0,1]=4 365 B11R0.3 CCCCCSCCCCC=O 62a_100000139335_100000210326 [1,0,0,0,0,0|1,0,2]=4 366 B11R0.3 CCCCCSCCCCC=O 62a_100000210326_100000139335 [1,0,0,0,0,0|1,0,2]=4 367 B11R0.3 CCCCNCCCCCC=O 2230a_100000102301_100000139337 [1,0,0,0,0,0|1,0,2]=4 368 B11R0.3 CCCCNCCCCCC=O 7a_106832991798_100000139337 [1,0,0,0,0,0|1,0,2]=4 369 B11R0.3 CCCCOCCCCCC=O 7a_100000210227_100000139337 [1,0,0,0,0,0|1,0,2]=4 370 B11R0.3 CCCCOCCCNCC=O 2230a_200000211371_200015260668 [1,0,0,0,0,0|2,0,1]=4 371 B11R0.3 CCCCOCCCNCC=O 34a_200000211371_200009817547 [1,0,0,0,0,0|2,0,1]=4 372 B11R0.3 CCCCOCCCOCC=O 34a_200011215613_200009817547 [1,0,0,0,0,0|2,0,1]=4 373 B11R0.3 CCCCOCCCOCC=O 7a_200011215613_200015260668 [1,0,0,0,0,0|2,0,1]=4 374 B11R0.3 CCCCSCCCCCC=O 62a_100000139337_100000210210 [1,0,0,0,0,0|1,0,2]=4 375 B11R0.3 CCCCSCCCCCC=O 62a_100000210211_100000139337 [1,0,0,0,0,0|1,0,2]=4 376 B11R0.3 COCCCCCCOCC=O 34a_200012092642_200009817547 [1,0,0,0,0,0|2,0,1]=4 377 B11R0.3 COCCCCCCOCC=O 7a_200012092642_200015260668 [1,0,0,0,0,0|2,0,1]=4 378 B11R0.3 COCCCCCCSCC=O 62a_100011998445_200015260668 [1,0,0,0,0,0|2,0,1]=4 379 B11R0.3 COCCCCCCSCC=O 62a_200015260668_100011998445 [1,0,0,0,0,0|2,0,1]=4 380 B11R0.3 NCCCCCCCOCC=O 34a_100011996573_200009817547 [1,0,0,0,0,0|2,0,1]=4 381 B11R0.3 O=CCNCCCCCCCO 2230a_100011996573_200015260668 [1,0,0,0,0,0|2,0,1]=4 382 B11R0.3 O=CCNCCCCCCCO 34a_100011996573_200009817547 [1,0,0,0,0,0|2,0,1]=4 383 B11R0.3 O=CCOCCCCCCCBr 34a_100000760002_200009817547 [1,0,0,0,0,0|2,0,1]=4 384 B11R0.3 O=CCOCCCCCCCBr 7a_100000760002_200015260668 [1,0,0,0,0,0|2,0,1]=4 385 B11R0.3 O=CCSCCCCCCCO 62a_100000760002_200015260668 [1,0,0,0,0,0|2,0,1]=4 386 B11R0.3 O=CCSCCCCCCCO 62a_200015260668_100000760002 [1,0,0,0,0,0|2,0,1]=4 387 B11R0.148 CC(=O)CCCCCCCCO 1458a_100000070787_100000033203 [1,0,0,0,0,0|2,0,1]=4 388 B11R0.148 CC(=O)NCCCCCCCO 240690a_100011996573_100015343762 [1,0,0,0,0,0|3,0,0]=4 389 B11R0.148 CC(=O)NCCCCCCN[13CH3] 2230a_200011996284_200025704644 [1,0,0,0,0,0|3,0,0]=4 390 B11R0.148 CC(=O)NCCCCCCN[13CH3] 34a_200011996284_200025704644 [1,0,0,0,0,0|3,0,0]=4 391 B11R0.148 CCCCCC/C=C/CC(=O)C 1458a_100020681715_200000210301 [1,0,0,0,0,0|1,0,2]=4 392 B11R0.148 CCCCCC/C=C/CC(=O)[13CH3] 1458a_100020681715_200025704644 [1,0,0,0,0,0|1,0,2]=4 393 B11R0.148 CCCCCCCC=CC(=O)C 1458a_200015332781_200000210301 [1,0,0,0,0,0|1,0,0]=2 394 B11R0.148 CCCCCCCC=CC(=O)[13CH3] 1458a_200015332781_200025704644 [1,0,0,0,0,0|1,0,0]=2 395 B11R0.148 CCCCCCCCCC(=O)C 1458a_100000070787_100000210670 [1,0,0,0,0,0|1,0,1]=3 396 B11R0.148 CCCCCCCCCC(=O)C 1458a_100000210558_200000210301 [1,0,0,0,0,0|1,0,1]=3 397 B11R0.148 CCCCCCCCCC(=O)[13CH3] 1458a_100000210558_200025704644 [1,0,0,0,0,0|1,0,1]=3 398 B11R0.148 CCCCCCCCNC(=O)C 11a_100000229939_100015343762 [1,0,0,0,0,0|2,0,0]=3 399 B11R0.148 CCCCCCCCNC(=O)C 1626a_100000229939_100015343762 [1,0,0,0,0,0|2,0,0]=3 400 B11R0.148 CCCCCCCCNC(=O)C 240690a_100000229939_100015343762 [1,0,0,0,0,0|2,0,0]=3 401 B11R0.148 CCCCCCCCNC(=O)C 527a_100000229939_100103153847 [1,0,0,0,0,0|2,0,0]=3 402 B11R0.148 CCCCCCCNCC(=O)N 2230a_100000229938_100000747473 [1,0,0,0,0,0|2,0,1]=4 403 B11R0.148 CCCCCCCNCC(=O)N 2230a_100000711301_100000210681 [1,0,0,0,0,0|2,0,1]=4 404 B11R0.148 CCCCCCCNCC(=O)O 269956a_100016091260_100000210614 [1,0,0,0,0,0|1,0,1]=3 405 B11R0.148 CCCCCCCOCC(=O)C 34a_100000211253_100000210614 [1,0,0,0,0,0|2,0,1]=4 406 B11R0.148 CCCCCCCOCC(=O)N 34a_100000210272_100000187820 [1,0,0,0,0,0|2,0,1]=4 407 B11R0.148 CCCCCCCOCC(=O)N 7a_100000210272_100000187820 [1,0,0,0,0,0|2,0,1]=4 408 B11R0.148 CCCCCCCOCC(=O)[O-] 34a_100000210272_100020667443 [1,0,0,0,0,0|1,0,2]=4 409 B11R0.148 CCCCCCCSCC(=O)N 62a_100000210614_100000747473 [1,0,0,0,0,0|2,0,1]=4 410 B11R0.148 CCCCCCCSCC(=O)N 62a_100000747473_100000210316 [1,0,0,0,0,0|2,0,1]=4 411 B11R0.148 CCCCCCCSCC(=O)[O-] 62a_100000210614_100020667443 [1,0,0,0,0,0|1,0,2]=4 412 B11R0.148 CCCCCCCSCC(=O)[O-] 62a_100020667443_100000210316 [1,0,0,0,0,0|1,0,2]=4 413 B11R0.148 CCCCCCNCC=C(C)C 2230a_100000210581_100000761012 [1,0,0,0,0,0|3,0,0]=4 414 B11R0.148 CCCCCCNCC=C(C)C 34a_100000718196_100000210314 [1,0,0,0,0,0|3,0,0]=4 415 B11R0.148 CCCCCCNCCC(=O)N 2230a_100000210581_100000744528 [1,0,0,0,0,0|2,0,1]=4 416 B11R0.148 CCCCCCNOCC(=O)O 269956a_100000106656_100000210757 [1,0,0,0,0,0|2,0,1]=4 417 B11R0.148 CCCCCCOCC=C(C)C 34a_100000210259_100000761012 [1,0,0,0,0,0|3,0,0]=4 418 B11R0.148 CCCCCCOCC=C(C)C 34a_100000753907_100000210314 [1,0,0,0,0,0|3,0,0]=4 419 B11R0.148 CCCCCCOCC=C(C)C 7a_100000210259_100000761012 [1,0,0,0,0,0|3,0,0]=4 420 B11R0.148 CCCCCCOCCC(=O)C 34a_100000759926_100000210314 [1,0,0,0,0,0|2,0,1]=4 421 B11R0.148 CCCCCCOCCC(=O)C 7a_100000210259_100000053229 [1,0,0,0,0,0|2,0,1]=4 422 B11R0.148 CCCCCCOCCC(=O)C 7a_100000759926_100000210314 [1,0,0,0,0,0|2,0,1]=4 423 B11R0.148 CCCCCCOCCC(=O)N 34a_100000210259_100000731001 [1,0,0,0,0,0|2,0,1]=4 424 B11R0.148 CCCCCCOCCC(=O)N 34a_100000757172_100000210314 [1,0,0,0,0,0|2,0,1]=4 425 B11R0.148 CCCCCCOCCC(=O)N 7a_100000210259_100000744528 [1,0,0,0,0,0|2,0,1]=4 426 B11R0.148 CCCCCCOCCC(=O)N 7a_100000757172_100000210314 [1,0,0,0,0,0|2,0,1]=4 427 B11R0.148 CCCCCCOCOC(=O)C 34a_100000210259_100009813279 [1,0,0,0,0,0|3,0,0]=4 428 B11R0.148 CCCCCCSCC=C(C)C 62a_100000210314_100000761012 [1,0,0,0,0,0|3,0,0]=4 429 B11R0.148 CCCCCCSCC=C(C)C 62a_100000761012_100000210757 [1,0,0,0,0,0|3,0,0]=4 430 B11R0.148 CCCCCCSCCC(=O)C 62a_100000053229_100000210757 [1,0,0,0,0,0|2,0,1]=4 431 B11R0.148 CCCCCCSCCC(=O)C 62a_100000210314_100000053229 [1,0,0,0,0,0|2,0,1]=4 432 B11R0.148 CCCCCCSCCC(=O)N 62a_100000210314_100000744528 [1,0,0,0,0,0|2,0,1]=4 433 B11R0.148 CCCCCCSCCC(=O)N 62a_100000744528_100000210757 [1,0,0,0,0,0|2,0,1]=4 434 B11R0.148 CCCCCCSCOC(=O)C 62a_100000076356_100000210757 [1,0,0,0,0,0|3,0,0]=4 435 B11R0.148 CCCCCCSCOC(=O)C 62a_100000210314_100000076356 [1,0,0,0,0,0|3,0,0]=4 436 B11R0.148 CCCCCNC/C=C/B(O)O 2230a_100000209983_100016262062 [1,0,0,0,0,0|2,0,1]=4 437 B11R0.148 CCCCCNCCC=C(C)C 2230a_100000209983_100011217483 [1,0,0,0,0,0|3,0,0]=4 438 B11R0.148 CCCCCNCCC=C(F)F 2230a_100000209983_200009816681 [1,0,0,0,0,0|3,0,0]=4 439 B11R0.148 CCCCCNCCCC(=O)N 34a_100000739312_100000718602 [1,0,0,0,0,0|2,0,1]=4 440 B11R0.148 CCCCCNCCNC(=O)C 2230a_100000209853_100000210326 [1,0,0,0,0,0|3,0,0]=4 441 B11R0.148 CCCCCNCCNC(=O)C 2230a_100000209983_100000189650 [1,0,0,0,0,0|3,0,0]=4 442 B11R0.148 CCCCCNCCNC(=O)N 2230a_100000209983_200000034859 [1,0,0,0,0,0|3,0,0]=4 443 B11R0.148 CCCCCNCCNC(=O)N 34a_100020590234_100000718602 [1,0,0,0,0,0|3,0,0]=4 444 B11R0.148 CCCCCOC/C=C/B(O)O 34a_100000210253_100016262062 [1,0,0,0,0,0|2,0,1]=4 445 B11R0.148 CCCCCOC/C=C/B(O)O 7a_100000210253_100016262062 [1,0,0,0,0,0|2,0,1]=4 446 B11R0.148 CCCCCOCCC=C(C)C 34a_100000210253_100011217483 [1,0,0,0,0,0|3,0,0]=4 447 B11R0.148 CCCCCOCCC=C(C)C 7a_100000210253_100011217483 [1,0,0,0,0,0|3,0,0]=4 448 B11R0.148 CCCCCOCCC=C(F)F 34a_100000210253_200009816681 [1,0,0,0,0,0|3,0,0]=4 449 B11R0.148 CCCCCOCCC=C(F)F 7a_100000210253_200009816681 [1,0,0,0,0,0|3,0,0]=4 450 B11R0.148 CCCCCOCCCC(=O)C 34a_100000210253_100000685027 [1,0,0,0,0,0|2,0,1]=4 451 B11R0.148 CCCCCOCCCC(=O)C 34a_100000759063_100000718602 [1,0,0,0,0,0|2,0,1]=4 452 B11R0.148 CCCCCOCCCC(=O)C 7a_100000210253_100011215641 [1,0,0,0,0,0|2,0,1]=4 453 B11R0.148 CCCCCOCCCC(=O)C 7a_100000759063_100000210326 [1,0,0,0,0,0|2,0,1]=4 454 B11R0.148 CCCCCOCCCC(=O)N 34a_100000210253_100102525003 [1,0,0,0,0,0|2,0,1]=4 455 B11R0.148 CCCCCOCCCC(=O)N 7a_100000210253_100102525003 [1,0,0,0,0,0|2,0,1]=4 456 B11R0.148 CCCCCOCCNC(=O)C 34a_100000158858_100000718602 [1,0,0,0,0,0|3,0,0]=4 457 B11R0.148 CCCCCOCCNC(=O)C 7a_100000210253_100000189650 [1,0,0,0,0,0|3,0,0]=4 458 B11R0.148 CCCCCOCCNC(=O)N 34a_100000181757_100000718602 [1,0,0,0,0,0|3,0,0]=4 459 B11R0.148 CCCCCOCCNC(=O)N 7a_100000210253_200000034859 [1,0,0,0,0,0|3,0,0]=4 460 B11R0.148 CCCCCOCCOC(=O)C 34a_100000210253_100009814007 [1,0,0,0,0,0|3,0,0]=4 461 B11R0.148 CCCCCOCCOC(=O)C 7a_100000210253_100009814007 [1,0,0,0,0,0|3,0,0]=4 462 B11R0.148 CCCCCOCCOC(=O)N 34a_100000210253_200011214921 [1,0,0,0,0,0|3,0,0]=4 463 B11R0.148 CCCCCOCCOC(=O)N 7a_100000210253_200011214921 [1,0,0,0,0,0|3,0,0]=4 464 B11R0.148 CCCCCOCCOC(=O)N 7a_100000766696_100000210326 [1,0,0,0,0,0|3,0,0]=4 465 B11R0.148 CCCCCSC/C=C/B(O)O 62a_100000210326_100016262062 [1,0,0,0,0,0|2,0,1]=4 466 B11R0.148 CCCCCSC/C=C/B(O)O 62a_100016262062_100000210326 [1,0,0,0,0,0|2,0,1]=4 467 B11R0.148 CCCCCSCCC=C(C)C 62a_100000210326_100011217483 [1,0,0,0,0,0|3,0,0]=4 468 B11R0.148 CCCCCSCCC=C(C)C 62a_100011217483_100000210326 [1,0,0,0,0,0|3,0,0]=4 469 B11R0.148 CCCCCSCCC=C(F)F 62a_100000210326_200009816681 [1,0,0,0,0,0|3,0,0]=4 470 B11R0.148 CCCCCSCCC=C(F)F 62a_200009816681_100000210326 [1,0,0,0,0,0|3,0,0]=4 471 B11R0.148 CCCCCSCCCC(=O)C 62a_100000210326_100011215641 [1,0,0,0,0,0|2,0,1]=4 472 B11R0.148 CCCCCSCCCC(=O)C 62a_100011215641_100000210326 [1,0,0,0,0,0|2,0,1]=4 473 B11R0.148 CCCCCSCCCC(=O)N 62a_100000210326_100102525003 [1,0,0,0,0,0|2,0,1]=4 474 B11R0.148 CCCCCSCCCC(=O)N 62a_100102525003_100000210326 [1,0,0,0,0,0|2,0,1]=4 475 B11R0.148 CCCCCSCCNC(=O)C 62a_100000189650_100000210326 [1,0,0,0,0,0|3,0,0]=4 476 B11R0.148 CCCCCSCCNC(=O)C 62a_100000210326_100000189650 [1,0,0,0,0,0|3,0,0]=4 477 B11R0.148 CCCCCSCCNC(=O)N 62a_100000210326_200000034859 [1,0,0,0,0,0|3,0,0]=4 478 B11R0.148 CCCCCSCCNC(=O)N 62a_200000034859_100000210326 [1,0,0,0,0,0|3,0,0]=4 479 B11R0.148 CCCCCSCCOC(=O)C 62a_100000210326_100009814007 [1,0,0,0,0,0|3,0,0]=4 480 B11R0.148 CCCCCSCCOC(=O)C 62a_100009814007_100000210326 [1,0,0,0,0,0|3,0,0]=4 481 B11R0.148 CCCCCSCCOC(=O)N 62a_100000210326_200011214921 [1,0,0,0,0,0|3,0,0]=4 482 B11R0.148 CCCCCSCCOC(=O)N 62a_200011214921_100000210326 [1,0,0,0,0,0|3,0,0]=4 483 B11R0.148 CCCCNCCCCC(=O)C 7a_106832991798_100000735457 [1,0,0,0,0,0|2,0,1]=4 484 B11R0.148 CCCCNCCCCC(=O)N 34a_100000696515_100000210210 [1,0,0,0,0,0|2,0,1]=4 485 B11R0.148 CCCCNCCCNC(=O)C 34a_100000736810_100000210210 [1,0,0,0,0,0|3,0,0]=4 486 B11R0.148 CCCCNCCCOC(=O)C 7a_106832991798_100000042594 [1,0,0,0,0,0|3,0,0]=4 487 B11R0.148 CCCCNCCCSC(=O)C 2230a_100000102301_100000038929 [1,0,0,0,0,0|3,0,0]=4 488 B11R0.148 CCCCNCCCSC(=O)C 7a_106832991798_100000038929 [1,0,0,0,0,0|3,0,0]=4 489 B11R0.148 CCCCNCCOCC(=O)O 269956a_100000700818_100000210211 [1,0,0,0,0,0|2,0,1]=4 490 B11R0.148 CCCCOCCCCC(=O)C 34a_100000210227_100009817362 [1,0,0,0,0,0|2,0,1]=4 491 B11R0.148 CCCCOCCCCC(=O)C 7a_100000210227_100000735457 [1,0,0,0,0,0|2,0,1]=4 492 B11R0.148 CCCCOCCCCC(=O)N 34a_100012022536_100000210210 [1,0,0,0,0,0|2,0,1]=4 493 B11R0.148 CCCCOCCCCC(=O)N 7a_100012022536_100000210211 [1,0,0,0,0,0|2,0,1]=4 494 B11R0.148 CCCCOCCCNC(=O)C 1626a_200000211371_100015343762 [1,0,0,0,0,0|3,0,0]=4 495 B11R0.148 CCCCOCCCNC(=O)C 240690a_200000211371_100015343762 [1,0,0,0,0,0|3,0,0]=4 496 B11R0.148 CCCCOCCCNC(=O)C 34a_100000752032_100000210210 [1,0,0,0,0,0|3,0,0]=4 497 B11R0.148 CCCCOCCCNC(=O)C 527a_200000211371_100103153847 [1,0,0,0,0,0|3,0,0]=4 498 B11R0.148 CCCCOCCCOC(=O)C 34a_100000210227_100000042594 [1,0,0,0,0,0|3,0,0]=4 499 B11R0.148 CCCCOCCCOC(=O)C 7a_100000210227_100000042594 [1,0,0,0,0,0|3,0,0]=4 500 B11R0.148 CCCCOCCCSC(=O)C 34a_100000210227_100000038929 [1,0,0,0,0,0|3,0,0]=4 501 B11R0.148 CCCCOCCCSC(=O)C 7a_100000210227_100000038929 [1,0,0,0,0,0|3,0,0]=4 502 B11R0.148 CCCCOCCNCC(=O)O 269956a_100016091260_100000743108 [1,0,0,0,0,0|2,0,1]=4 503 B11R0.148 CCCCSCCCCC(=O)C 62a_100000210211_100000735457 [1,0,0,0,0,0|2,0,1]=4 504 B11R0.148 CCCCSCCCCC(=O)C 62a_100000735457_100000210210 [1,0,0,0,0,0|2,0,1]=4 505 B11R0.148 CCCCSCCCOC(=O)C 62a_100000042594_100000210210 [1,0,0,0,0,0|3,0,0]=4 506 B11R0.148 CCCCSCCCOC(=O)C 62a_100000210211_100000042594 [1,0,0,0,0,0|3,0,0]=4 507 B11R0.148 CCCCSCCCSC(=O)C 62a_100000038929_100000210210 [1,0,0,0,0,0|3,0,0]=4 508 B11R0.148 CCCCSCCCSC(=O)C 62a_100000210211_100000038929 [1,0,0,0,0,0|3,0,0]=4 509 B11R0.148 CCCNCCCCNC(=O)C 2230a_200011368371_100000210303 [1,0,0,0,0,0|3,0,0]=4 510 B11R0.148 CCCNCCCCNC(=O)C 34a_200011368371_100000210303 [1,0,0,0,0,0|3,0,0]=4 511 B11R0.148 CCCOCCC/C=C/B(O)O 34a_100000210258_200016261450 [1,0,0,0,0,0|2,0,1]=4 512 B11R0.148 CCCOCCCCCC(=O)N 34a_100000123541_100000210303 [1,0,0,0,0,0|2,0,1]=4 513 B11R0.148 CCCOCCCCCC(=O)N 34a_100000210258_100009817443 [1,0,0,0,0,0|2,0,1]=4 514 B11R0.148 CCCOCCCCCC(=O)N 7a_100000123541_100000210303 [1,0,0,0,0,0|2,0,1]=4 515 B11R0.148 CCCOCCCCCC(=O)[O-] 7a_100102619762_100000210303 [1,0,0,0,0,0|1,0,2]=4 516 B11R0.148 CCCOCCCCOC(=O)C 34a_100000073216_100000210303 [1,0,0,0,0,0|3,0,0]=4 517 B11R0.148 CCCOCCCCOC(=O)C 34a_100000210258_100000033659 [1,0,0,0,0,0|3,0,0]=4 518 B11R0.148 CCCOCCCCOC(=O)C 7a_100000073216_100000210303 [1,0,0,0,0,0|3,0,0]=4 519 B11R0.148 CCCOCCCCSC(=O)C 34a_100000210258_200010402107 [1,0,0,0,0,0|3,0,0]=4 520 B11R0.148 CCCSCCC/C=C/B(O)O 62a_100000210303_200016261450 [1,0,0,0,0,0|2,0,1]=4 521 B11R0.148 CCCSCCC/C=C/B(O)O 62a_200016261450_100000210303 [1,0,0,0,0,0|2,0,1]=4 522 B11R0.148 CCCSCCCCCC(=O)N 62a_100000210303_100009817443 [1,0,0,0,0,0|2,0,1]=4 523 B11R0.148 CCCSCCCCCC(=O)N 62a_100009817443_100000210303 [1,0,0,0,0,0|2,0,1]=4 524 B11R0.148 CCCSCCCCOC(=O)C 62a_100000033659_100000210303 [1,0,0,0,0,0|3,0,0]=4 525 B11R0.148 CCCSCCCCOC(=O)C 62a_100000210303_100000033659 [1,0,0,0,0,0|3,0,0]=4 526 B11R0.148 CCCSCCCCSC(=O)C 62a_100000210303_200010402107 [1,0,0,0,0,0|3,0,0]=4 527 B11R0.148 CCCSCCCCSC(=O)C 62a_200010402107_100000210303 [1,0,0,0,0,0|3,0,0]=4 528 B11R0.148 CCNCCCCCNC(=O)C 2230a_200012022750_100000210202 [1,0,0,0,0,0|3,0,0]=4 529 B11R0.148 CCNCCCCCNC(=O)C 34a_200012022750_100000210202 [1,0,0,0,0,0|3,0,0]=4 530 B11R0.148 CCNCCCCCOC(=O)C 2230a_100015525214_100009813381 [1,0,0,0,0,0|3,0,0]=4 531 B11R0.148 CCOCCCCCOC(=O)C 34a_100121572206_100000033007 [1,0,0,0,0,0|3,0,0]=4 532 B11R0.148 CCSCCCCCOC(=O)C 62a_100000033007_100000210202 [1,0,0,0,0,0|3,0,0]=4 533 B11R0.148 CCSCCCCCOC(=O)C 62a_100000210202_100000033007 [1,0,0,0,0,0|3,0,0]=4 534 B11R0.148 CNCCCCCCNC(=O)C 2230a_200011996284_200000210301 [1,0,0,0,0,0|3,0,0]=4 535 B11R0.148 CNCCCCCCNC(=O)C 34a_200011996284_200000210301 [1,0,0,0,0,0|3,0,0]=4 536 B11R0.148 O=C(O)CNCCCCCCF 269956a_100016091260_100015922095 [1,0,0,0,0,0|2,0,1]=4 537 B11R0.148 O=C(O)CNCCCCCCO 269956a_100016091260_100000766143 [1,0,0,0,0,0|2,0,1]=4 538 B13R0.1 CCCCCCC(=O)C/C=C/B(O)O 1458a_100102632555_100016262062 [0,1,0,0,0,0|1,0,2]=4 539 B13R0.1 CCCCCCC(C)NOCC(=O)O 269956a_100000106656_100011215978 [0,1,0,0,0,0|2,0,1]=4 540 B13R0.1 CCCCCCN(C)C/C=C/B(O)O 2230a_106256046315_100016262062 [0,1,0,0,0,0|2,0,1]=4 541 B13R0.1 CCCCCCN(C)C/C=C/B(O)O 269982a_106256046315_100016262062 [0,1,0,0,0,0|2,0,1]=4 542 B13R0.1 CCCCCCN(C)CCCC(=O)O 269956a_100000719178_100000210757 [0,1,0,0,0,0|1,0,2]=4 543 B13R0.54 C#CCCCCCCCNCC(=O)O 269956a_100016091260_100153394163 [0,1,0,0,0,0|1,0,2]=4 544 B13R0.54 C=CCCCCCCCNCC(=O)O 269956a_100016091260_100012355270 [0,1,0,0,0,0|1,0,2]=4 545 B13R0.54 CC(=O)CCCCCCCCCCO 1458a_100000070787_100009813290 [0,1,0,0,0,0|1,0,2]=4 546 B13R0.54 CC(=O)COCCCCCCCCO 34a_100000211253_100000033203 [0,1,0,0,0,0|2,0,1]=4 547 B13R0.54 CC(=O)NCCCCCCCCCO 240690a_100000078944_100015343762 [0,1,0,0,0,0|2,0,1]=4 548 B13R0.54 CCCCC#CCCCNCC(=O)O 269956a_100016091260_200000047210 [0,1,0,0,0,0|1,0,2]=4 549 B13R0.54 CCCCCCCCC=NNC(=O)C 4a_100000189765_100011218696 [0,1,0,0,0,0|2,0,0]=3 550 B13R0.54 CCCCCCCCCC=CC(=O)C 1458a_200015352897_200000210301 [0,1,0,0,0,0|1,0,0]=2 551 B13R0.54 CCCCCCCCCC=CC(=O)[13CH3] 1458a_200015352897_200025704644 [0,1,0,0,0,0|1,0,0]=2 552 B13R0.54 CCCCCCCCCCCC(=O)C 1458a_100000070787_100011215454 [0,1,0,0,0,0|1,0,2]=4 553 B13R0.54 CCCCCCCCCCCC(=O)C 1458a_100000210736_200000210301 [0,1,0,0,0,0|1,0,2]=4 554 B13R0.54 CCCCCCCCCCCC(=O)[13CH3] 1458a_100000210736_200025704644 [0,1,0,0,0,0|1,0,2]=4 555 B13R0.54 CCCCCCCCCCNC(=O)C 11a_100000684558_100015343762 [0,1,0,0,0,0|1,0,2]=4 556 B13R0.54 CCCCCCCCCCNC(=O)C 1626a_100000684558_100015343762 [0,1,0,0,0,0|1,0,2]=4 557 B13R0.54 CCCCCCCCCCNC(=O)C 240690a_100000684558_100015343762 [0,1,0,0,0,0|1,0,2]=4 558 B13R0.54 CCCCCCCCCCNC(=O)C 527a_100000684558_100103153847 [0,1,0,0,0,0|1,0,2]=4 559 B13R0.54 CCCCCCCCCNCC(=O)N 2230a_100000212291_100000747473 [0,1,0,0,0,0|1,0,2]=4 560 B13R0.54 CCCCCCCCCNCC(=O)N 2230a_100000711301_100011214924 [0,1,0,0,0,0|1,0,2]=4 561 B13R0.54 CCCCCCCCCNCC(=O)N 34a_100000212291_100000187820 [0,1,0,0,0,0|1,0,2]=4 562 B13R0.54 CCCCCCCCCNCC(=O)O 269956a_100016091260_100000210670 [0,1,0,0,0,0|0,0,2]=3 563 B13R0.54 CCCCCCCCCNCC(=O)[O-] 34a_100000212291_100020667443 [0,1,0,0,0,0|0,0,3]=4 564 B13R0.54 CCCCCCCCCOCC(=O)C 34a_100000211253_100011214924 [0,1,0,0,0,0|1,0,2]=4 565 B13R0.54 CCCCCCCCCOCC(=O)N 34a_100000210712_100000187820 [0,1,0,0,0,0|1,0,2]=4 566 B13R0.54 CCCCCCCCCOCC(=O)N 7a_100000210712_100000187820 [0,1,0,0,0,0|1,0,2]=4 567 B13R0.54 CCCCCCCCCOCC(=O)[O-] 34a_100000210712_100020667443 [0,1,0,0,0,0|0,0,3]=4 568 B13R0.54 CCCCCCCCCSCC(=O)N 62a_100000747473_100000210670 [0,1,0,0,0,0|1,0,2]=4 569 B13R0.54 CCCCCCCCCSCC(=O)[O-] 62a_100020667443_100000210670 [0,1,0,0,0,0|0,0,3]=4 570 B13R0.54 CCCCCCCCNCC=C(C)C 2230a_100000229939_100000761012 [0,1,0,0,0,0|2,0,1]=4 571 B13R0.54 CCCCCCCCNCC=C(C)C 34a_100000229939_100000761012 [0,1,0,0,0,0|2,0,1]=4 572 B13R0.54 CCCCCCCCNCC=C(C)C 34a_100000718196_100000210759 [0,1,0,0,0,0|2,0,1]=4 573 B13R0.54 CCCCCCCCNCCC(=O)N 2230a_100000229939_100000744528 [0,1,0,0,0,0|1,0,2]=4 574 B13R0.54 CCCCCCCCNCCC(=O)N 34a_100000229939_100000731001 [0,1,0,0,0,0|1,0,2]=4 575 B13R0.54 CCCCCCCCNCOC(=O)C 34a_100000229939_100009813279 [0,1,0,0,0,0|2,0,1]=4 576 B13R0.54 CCCCCCCCNOCC(=O)O 269956a_100000106656_100000210759 [0,1,0,0,0,0|1,0,1]=3 577 B13R0.54 CCCCCCCCOCC=C(C)C 34a_100000210232_100000761012 [0,1,0,0,0,0|2,0,1]=4 578 B13R0.54 CCCCCCCCOCC=C(C)C 34a_100000753907_100000210759 [0,1,0,0,0,0|2,0,1]=4 579 B13R0.54 CCCCCCCCOCC=C(C)C 7a_100000210232_100000761012 [0,1,0,0,0,0|2,0,1]=4 580 B13R0.54 CCCCCCCCOCCC(=O)C 34a_100000759926_100000210759 [0,1,0,0,0,0|1,0,2]=4 581 B13R0.54 CCCCCCCCOCCC(=O)C 7a_100000210232_100000053229 [0,1,0,0,0,0|1,0,2]=4 582 B13R0.54 CCCCCCCCOCCC(=O)C 7a_100000759926_100000210759 [0,1,0,0,0,0|1,0,2]=4 583 B13R0.54 CCCCCCCCOCCC(=O)N 34a_100000210232_100000731001 [0,1,0,0,0,0|1,0,2]=4 584 B13R0.54 CCCCCCCCOCCC(=O)N 34a_100000757172_100000210759 [0,1,0,0,0,0|1,0,2]=4 585 B13R0.54 CCCCCCCCOCCC(=O)N 7a_100000210232_100000744528 [0,1,0,0,0,0|1,0,2]=4 586 B13R0.54 CCCCCCCCOCCC(=O)N 7a_100000757172_100000210759 [0,1,0,0,0,0|1,0,2]=4 587 B13R0.54 CCCCCCCCOCOC(=O)C 34a_100000210232_100009813279 [0,1,0,0,0,0|2,0,1]=4 588 B13R0.54 CCCCCCCCSCC=C(C)C 62a_100000210759_100000761012 [0,1,0,0,0,0|2,0,1]=4 589 B13R0.54 CCCCCCCCSCC=C(C)C 62a_100000761012_100000210317 [0,1,0,0,0,0|2,0,1]=4 590 B13R0.54 CCCCCCCCSCCC(=O)C 62a_100000053229_100000210317 [0,1,0,0,0,0|1,0,2]=4 591 B13R0.54 CCCCCCCCSCCC(=O)C 62a_100000210759_100000053229 [0,1,0,0,0,0|1,0,2]=4 592 B13R0.54 CCCCCCCCSCCC(=O)N 62a_100000210759_100000744528 [0,1,0,0,0,0|1,0,2]=4 593 B13R0.54 CCCCCCCCSCCC(=O)N 62a_100000744528_100000210317 [0,1,0,0,0,0|1,0,2]=4 594 B13R0.54 CCCCCCCCSCOC(=O)C 62a_100000076356_100000210317 [0,1,0,0,0,0|2,0,1]=4 595 B13R0.54 CCCCCCCCSCOC(=O)C 62a_100000210759_100000076356 [0,1,0,0,0,0|2,0,1]=4 596 B13R0.54 CCCCCCCNC/C=C/B(O)O 2230a_100000229938_100016262062 [0,1,0,0,0,0|1,0,1]=3 597 B13R0.54 CCCCCCCNCCC=C(C)C 2230a_100000229938_100011217483 [0,1,0,0,0,0|2,0,1]=4 598 B13R0.54 CCCCCCCNCCC=C(F)F 2230a_100000229938_200009816681 [0,1,0,0,0,0|2,0,1]=4 599 B13R0.54 CCCCCCCNCCCC(=O)N 34a_100000739312_100000210614 [0,1,0,0,0,0|1,0,2]=4 600 B13R0.54 CCCCCCCNCCNC(=O)C 2230a_100000209853_100000210681 [0,1,0,0,0,0|2,0,1]=4 601 B13R0.54 CCCCCCCNCCNC(=O)C 2230a_100000229938_100000189650 [0,1,0,0,0,0|2,0,1]=4 602 B13R0.54 CCCCCCCNCCNC(=O)N 2230a_100000229938_200000034859 [0,1,0,0,0,0|2,0,1]=4 603 B13R0.54 CCCCCCCNCCNC(=O)N 34a_100020590234_100000210614 [0,1,0,0,0,0|2,0,1]=4 604 B13R0.54 CCCCCCCOC/C=C/B(O)O 34a_100000210272_100016262062 [0,1,0,0,0,0|1,0,1]=3 605 B13R0.54 CCCCCCCOC/C=C/B(O)O 7a_100000210272_100016262062 [0,1,0,0,0,0|1,0,1]=3 606 B13R0.54 CCCCCCCOCCC=C(C)C 34a_100000210272_100011217483 [0,1,0,0,0,0|2,0,1]=4 607 B13R0.54 CCCCCCCOCCC=C(C)C 7a_100000210272_100011217483 [0,1,0,0,0,0|2,0,1]=4 608 B13R0.54 CCCCCCCOCCC=C(F)F 34a_100000210272_200009816681 [0,1,0,0,0,0|2,0,1]=4 609 B13R0.54 CCCCCCCOCCC=C(F)F 7a_100000210272_200009816681 [0,1,0,0,0,0|2,0,1]=4 610 B13R0.54 CCCCCCCOCCCC(=O)C 34a_100000210272_100000685027 [0,1,0,0,0,0|1,0,2]=4 611 B13R0.54 CCCCCCCOCCCC(=O)C 34a_100000759063_100000210614 [0,1,0,0,0,0|1,0,2]=4 612 B13R0.54 CCCCCCCOCCCC(=O)C 7a_100000210272_100011215641 [0,1,0,0,0,0|1,0,2]=4 613 B13R0.54 CCCCCCCOCCCC(=O)C 7a_100000759063_100000210614 [0,1,0,0,0,0|1,0,2]=4 614 B13R0.54 CCCCCCCOCCCC(=O)N 34a_100000210272_100102525003 [0,1,0,0,0,0|1,0,2]=4 615 B13R0.54 CCCCCCCOCCCC(=O)N 7a_100000210272_100102525003 [0,1,0,0,0,0|1,0,2]=4 616 B13R0.54 CCCCCCCOCCNC(=O)C 34a_100000158858_100000210614 [0,1,0,0,0,0|2,0,1]=4 617 B13R0.54 CCCCCCCOCCNC(=O)C 7a_100000210272_100000189650 [0,1,0,0,0,0|2,0,1]=4 618 B13R0.54 CCCCCCCOCCNC(=O)N 34a_100000181757_100000210614 [0,1,0,0,0,0|2,0,1]=4 619 B13R0.54 CCCCCCCOCCNC(=O)N 7a_100000210272_200000034859 [0,1,0,0,0,0|2,0,1]=4 620 B13R0.54 CCCCCCCOCCOC(=O)C 34a_100000210272_100009814007 [0,1,0,0,0,0|2,0,1]=4 621 B13R0.54 CCCCCCCOCCOC(=O)C 7a_100000210272_100009814007 [0,1,0,0,0,0|2,0,1]=4 622 B13R0.54 CCCCCCCOCCOC(=O)N 34a_100000210272_200011214921 [0,1,0,0,0,0|2,0,1]=4 623 B13R0.54 CCCCCCCOCCOC(=O)N 7a_100000210272_200011214921 [0,1,0,0,0,0|2,0,1]=4 624 B13R0.54 CCCCCCCOCCOC(=O)N 7a_100000766696_100000210614 [0,1,0,0,0,0|2,0,1]=4 625 B13R0.54 CCCCCCCSC/C=C/B(O)O 62a_100000210614_100016262062 [0,1,0,0,0,0|1,0,1]=3 626 B13R0.54 CCCCCCCSC/C=C/B(O)O 62a_100016262062_100000210316 [0,1,0,0,0,0|1,0,1]=3 627 B13R0.54 CCCCCCCSCCC=C(C)C 62a_100000210614_100011217483 [0,1,0,0,0,0|2,0,1]=4 628 B13R0.54 CCCCCCCSCCC=C(C)C 62a_100011217483_100000210316 [0,1,0,0,0,0|2,0,1]=4 629 B13R0.54 CCCCCCCSCCC=C(F)F 62a_100000210614_200009816681 [0,1,0,0,0,0|2,0,1]=4 630 B13R0.54 CCCCCCCSCCC=C(F)F 62a_200009816681_100000210316 [0,1,0,0,0,0|2,0,1]=4 631 B13R0.54 CCCCCCCSCCCC(=O)C 62a_100000210614_100011215641 [0,1,0,0,0,0|1,0,2]=4 632 B13R0.54 CCCCCCCSCCCC(=O)C 62a_100011215641_100000210316 [0,1,0,0,0,0|1,0,2]=4 633 B13R0.54 CCCCCCCSCCCC(=O)N 62a_100000210614_100102525003 [0,1,0,0,0,0|1,0,2]=4 634 B13R0.54 CCCCCCCSCCCC(=O)N 62a_100102525003_100000210316 [0,1,0,0,0,0|1,0,2]=4 635 B13R0.54 CCCCCCCSCCNC(=O)C 62a_100000189650_100000210316 [0,1,0,0,0,0|2,0,1]=4 636 B13R0.54 CCCCCCCSCCNC(=O)C 62a_100000210614_100000189650 [0,1,0,0,0,0|2,0,1]=4 637 B13R0.54 CCCCCCCSCCNC(=O)N 62a_100000210614_200000034859 [0,1,0,0,0,0|2,0,1]=4 638 B13R0.54 CCCCCCCSCCNC(=O)N 62a_200000034859_100000210316 [0,1,0,0,0,0|2,0,1]=4 639 B13R0.54 CCCCCCCSCCOC(=O)C 62a_100000210614_100009814007 [0,1,0,0,0,0|2,0,1]=4 640 B13R0.54 CCCCCCCSCCOC(=O)C 62a_100009814007_100000210316 [0,1,0,0,0,0|2,0,1]=4 641 B13R0.54 CCCCCCCSCCOC(=O)N 62a_100000210614_200011214921 [0,1,0,0,0,0|2,0,1]=4 642 B13R0.54 CCCCCCCSCCOC(=O)N 62a_200011214921_100000210316 [0,1,0,0,0,0|2,0,1]=4 643 B13R0.54 CCCCCCNCCCCC(=O)N 34a_100000696515_100000210314 [0,1,0,0,0,0|1,0,2]=4 644 B13R0.54 CCCCCCNCCCNC(=O)C 34a_100000736810_100000210314 [0,1,0,0,0,0|2,0,1]=4 645 B13R0.54 CCCCCCNCCCSC(=O)C 2230a_100000210581_100000038929 [0,1,0,0,0,0|2,0,1]=4 646 B13R0.54 CCCCCCNCCOCC(=O)N 2230a_100000210581_100000076697 [0,1,0,0,0,0|2,0,1]=4 647 B13R0.54 CCCCCCNCCOCC(=O)O 269956a_100000700818_100000210757 [0,1,0,0,0,0|1,0,1]=3 648 B13R0.54 CCCCCCOCCCCC(=O)C 34a_100000210259_100009817362 [0,1,0,0,0,0|1,0,2]=4 649 B13R0.54 CCCCCCOCCCCC(=O)C 7a_100000210259_100000735457 [0,1,0,0,0,0|1,0,2]=4 650 B13R0.54 CCCCCCOCCCCC(=O)N 34a_100012022536_100000210314 [0,1,0,0,0,0|1,0,2]=4 651 B13R0.54 CCCCCCOCCCCC(=O)N 7a_100012022536_100000210314 [0,1,0,0,0,0|1,0,2]=4 652 B13R0.54 CCCCCCOCCCNC(=O)C 34a_100000752032_100000210314 [0,1,0,0,0,0|2,0,1]=4 653 B13R0.54 CCCCCCOCCCOC(=O)C 34a_100000210259_100000042594 [0,1,0,0,0,0|2,0,1]=4 654 B13R0.54 CCCCCCOCCCOC(=O)C 7a_100000210259_100000042594 [0,1,0,0,0,0|2,0,1]=4 655 B13R0.54 CCCCCCOCCCSC(=O)C 34a_100000210259_100000038929 [0,1,0,0,0,0|2,0,1]=4 656 B13R0.54 CCCCCCOCCCSC(=O)C 7a_100000210259_100000038929 [0,1,0,0,0,0|2,0,1]=4 657 B13R0.54 CCCCCCOCCOCC(=O)N 34a_100000210259_100000076697 [0,1,0,0,0,0|2,0,1]=4 658 B13R0.54 CCCCCCOCCOCC(=O)N 34a_100000691444_100000187820 [0,1,0,0,0,0|2,0,1]=4 659 B13R0.54 CCCCCCOCCOCC(=O)N 7a_100000210259_100000076697 [0,1,0,0,0,0|2,0,1]=4 660 B13R0.54 CCCCCCOCCOCC(=O)N 7a_100000691444_100000187820 [0,1,0,0,0,0|2,0,1]=4 661 B13R0.54 CCCCCCOCCOCC(=O)[O-] 34a_100000691444_100020667443 [0,1,0,0,0,0|1,0,2]=4 662 B13R0.54 CCCCCCSCCCCC(=O)C 62a_100000210314_100000735457 [0,1,0,0,0,0|1,0,2]=4 663 B13R0.54 CCCCCCSCCCCC(=O)C 62a_100000735457_100000210757 [0,1,0,0,0,0|1,0,2]=4 664 B13R0.54 CCCCCCSCCCOC(=O)C 62a_100000042594_100000210757 [0,1,0,0,0,0|2,0,1]=4 665 B13R0.54 CCCCCCSCCCOC(=O)C 62a_100000210314_100000042594 [0,1,0,0,0,0|2,0,1]=4 666 B13R0.54 CCCCCCSCCCSC(=O)C 62a_100000038929_100000210757 [0,1,0,0,0,0|2,0,1]=4 667 B13R0.54 CCCCCCSCCCSC(=O)C 62a_100000210314_100000038929 [0,1,0,0,0,0|2,0,1]=4 668 B13R0.54 CCCCCCSCCOCC(=O)N 62a_100000076697_100000210757 [0,1,0,0,0,0|2,0,1]=4 669 B13R0.54 CCCCCCSCCOCC(=O)N 62a_100000210314_100000076697 [0,1,0,0,0,0|2,0,1]=4 670 B13R0.54 CCCCCNCCC/C=C/B(O)O 2230a_100000209983_200016261450 [0,1,0,0,0,0|1,0,1]=3 671 B13R0.54 CCCCCNCCCCCC(=O)N 2230a_100000209983_100009817443 [0,1,0,0,0,0|1,0,2]=4 672 B13R0.54 CCCCCNCCCCNC(=O)C 2230a_200011368371_100000210326 [0,1,0,0,0,0|2,0,1]=4 673 B13R0.54 CCCCCNCCCCNC(=O)C 34a_200011368371_100000718602 [0,1,0,0,0,0|2,0,1]=4 674 B13R0.54 CCCCCNCCCCSC(=O)C 2230a_100000209983_200010402107 [0,1,0,0,0,0|2,0,1]=4 675 B13R0.54 CCCCCOCCC/C=C/B(O)O 34a_100000210253_200016261450 [0,1,0,0,0,0|1,0,1]=3 676 B13R0.54 CCCCCOCCC/C=C/B(O)O 7a_100000210253_200016261450 [0,1,0,0,0,0|1,0,1]=3 677 B13R0.54 CCCCCOCCCCCC(=O)N 34a_100000123541_100000718602 [0,1,0,0,0,0|1,0,2]=4 678 B13R0.54 CCCCCOCCCCCC(=O)N 34a_100000210253_100009817443 [0,1,0,0,0,0|1,0,2]=4 679 B13R0.54 CCCCCOCCCCCC(=O)N 7a_100000123541_100000210326 [0,1,0,0,0,0|1,0,2]=4 680 B13R0.54 CCCCCOCCCCCC(=O)N 7a_100000210253_100009817443 [0,1,0,0,0,0|1,0,2]=4 681 B13R0.54 CCCCCOCCCCCC(=O)[O-] 7a_100102619762_100000210326 [0,1,0,0,0,0|0,0,3]=4 682 B13R0.54 CCCCCOCCCCOC(=O)C 34a_100000073216_100000718602 [0,1,0,0,0,0|2,0,1]=4 683 B13R0.54 CCCCCOCCCCOC(=O)C 34a_100000210253_100000033659 [0,1,0,0,0,0|2,0,1]=4 684 B13R0.54 CCCCCOCCCCOC(=O)C 7a_100000073216_100000210326 [0,1,0,0,0,0|2,0,1]=4 685 B13R0.54 CCCCCOCCCCOC(=O)C 7a_100000210253_100000033659 [0,1,0,0,0,0|2,0,1]=4 686 B13R0.54 CCCCCOCCCCSC(=O)C 34a_100000210253_200010402107 [0,1,0,0,0,0|2,0,1]=4 687 B13R0.54 CCCCCOCCCCSC(=O)C 7a_100000210253_200010402107 [0,1,0,0,0,0|2,0,1]=4 688 B13R0.54 CCCCCSCCC/C=C/B(O)O 62a_100000210326_200016261450 [0,1,0,0,0,0|1,0,1]=3 689 B13R0.54 CCCCCSCCC/C=C/B(O)O 62a_200016261450_100000210326 [0,1,0,0,0,0|1,0,1]=3 690 B13R0.54 CCCCCSCCCCCC(=O)N 62a_100000210326_100009817443 [0,1,0,0,0,0|1,0,2]=4 691 B13R0.54 CCCCCSCCCCCC(=O)N 62a_100009817443_100000210326 [0,1,0,0,0,0|1,0,2]=4 692 B13R0.54 CCCCCSCCCCOC(=O)C 62a_100000033659_100000210326 [0,1,0,0,0,0|2,0,1]=4 693 B13R0.54 CCCCCSCCCCOC(=O)C 62a_100000210326_100000033659 [0,1,0,0,0,0|2,0,1]=4 694 B13R0.54 CCCCCSCCCCSC(=O)C 62a_100000210326_200010402107 [0,1,0,0,0,0|2,0,1]=4 695 B13R0.54 CCCCCSCCCCSC(=O)C 62a_200010402107_100000210326 [0,1,0,0,0,0|2,0,1]=4 696 B13R0.54 CCCCNCCCCCNC(=O)C 2230a_200012022750_100000210211 [0,1,0,0,0,0|2,0,1]=4 697 B13R0.54 CCCCNCCCCCNC(=O)C 34a_200012022750_100000210210 [0,1,0,0,0,0|2,0,1]=4 698 B13R0.54 CCCCNCCCCCOC(=O)C 2230a_100000102301_100009813381 [0,1,0,0,0,0|2,0,1]=4 699 B13R0.54 CCCCNCCCCCOC(=O)C 7a_106832991798_100000033007 [0,1,0,0,0,0|2,0,1]=4 700 B13R0.54 CCCCNCCCCOCC(=O)N 34a_200011216965_100000187820 [0,1,0,0,0,0|2,0,1]=4 701 B13R0.54 CCCCNCCCCOCC(=O)[O-] 34a_200011216965_100020667443 [0,1,0,0,0,0|1,0,2]=4 702 B13R0.54 CCCCOCCCCCOC(=O)C 34a_100000210227_100000033007 [0,1,0,0,0,0|2,0,1]=4 703 B13R0.54 CCCCOCCCCCOC(=O)C 7a_100000210227_100000033007 [0,1,0,0,0,0|2,0,1]=4 704 B13R0.54 CCCCOCCCCOCC(=O)N 34a_200000760531_100000187820 [0,1,0,0,0,0|2,0,1]=4 705 B13R0.54 CCCCOCCCCOCC(=O)N 7a_200000760531_100000187820 [0,1,0,0,0,0|2,0,1]=4 706 B13R0.54 CCCCOCCCCOCC(=O)[O-] 34a_200000760531_100020667443 [0,1,0,0,0,0|1,0,2]=4 707 B13R0.54 CCCCOCCOC/C=C/B(O)O 34a_100000210238_100016262062 [0,1,0,0,0,0|2,0,1]=4 708 B13R0.54 CCCCOCCOC/C=C/B(O)O 7a_100000210238_100016262062 [0,1,0,0,0,0|2,0,1]=4 709 B13R0.54 CCCCOCCSC/C=C/B(O)O 62a_100000743108_100016262062 [0,1,0,0,0,0|2,0,1]=4 710 B13R0.54 CCCCOCCSC/C=C/B(O)O 62a_100016262062_100000743108 [0,1,0,0,0,0|2,0,1]=4 711 B13R0.54 CCCCOCNCCOCC(=O)O 269956a_100000700818_100011995733 [0,1,0,0,0,0|2,0,1]=4 712 B13R0.54 CCCCSCCCCCOC(=O)C 62a_100000033007_100000210210 [0,1,0,0,0,0|2,0,1]=4 713 B13R0.54 CCCCSCCCCCOC(=O)C 62a_100000210211_100000033007 [0,1,0,0,0,0|2,0,1]=4 714 B13R0.54 CCCCSCCNC/C=C/B(O)O 2230a_100025743550_100016262062 [0,1,0,0,0,0|2,0,1]=4 715 B13R0.54 CCCCSCCOC/C=C/B(O)O 34a_200000230436_100016262062 [0,1,0,0,0,0|2,0,1]=4 716 B13R0.54 CCCCSCCOC/C=C/B(O)O 7a_200000230436_100016262062 [0,1,0,0,0,0|2,0,1]=4 717 B13R0.54 CCCNCCCCCCNC(=O)C 2230a_200011996284_100000210303 [0,1,0,0,0,0|2,0,1]=4 718 B13R0.54 CCCNCCCCCCNC(=O)C 34a_200011996284_100000210303 [0,1,0,0,0,0|2,0,1]=4 719 B13R0.54 CCCNCCOCCOCC(=O)O 269956a_100009854275_100000210207 [0,1,0,0,0,0|2,0,1]=4 720 B13R0.54 CCCOCCCNC/C=C/B(O)O 2230a_100011217757_100016262062 [0,1,0,0,0,0|2,0,1]=4 721 B13R0.54 CCCOCCCNC/C=C/B(O)O 34a_100011217757_100016262062 [0,1,0,0,0,0|2,0,1]=4 722 B13R0.54 CCCOCCNCCOCC(=O)O 269956a_100000700818_100011215938 [0,1,0,0,0,0|2,0,1]=4 723 B13R0.54 CCOCCCNCCOCC(=O)O 269956a_100000700818_100012232248 [0,1,0,0,0,0|2,0,1]=4 724 B13R0.54 CCOCCNCCC/C=C/B(O)O 2230a_102516460346_200016261450 [0,1,0,0,0,0|2,0,1]=4 725 B13R0.54 CCOCCNCCC/C=C/B(O)O 34a_102516460346_200016261450 [0,1,0,0,0,0|2,0,1]=4 726 B13R0.54 CCOCCOCCC/C=C/B(O)O 34a_100000210136_200016261450 [0,1,0,0,0,0|2,0,1]=4 727 B13R0.54 CCOCCOCCC/C=C/B(O)O 7a_100000210136_200016261450 [0,1,0,0,0,0|2,0,1]=4 728 B13R0.54 CCOCCSCCC/C=C/B(O)O 62a_100000210147_200016261450 [0,1,0,0,0,0|2,0,1]=4 729 B13R0.54 CCOCCSCCC/C=C/B(O)O 62a_200016261450_100011215890 [0,1,0,0,0,0|2,0,1]=4 730 B13R0.54 CCSCCNCCC/C=C/B(O)O 2230a_100000106463_200016261450 [0,1,0,0,0,0|2,0,1]=4 731 B13R0.54 CCSCCOCCC/C=C/B(O)O 34a_100000212035_200016261450 [0,1,0,0,0,0|2,0,1]=4 732 B13R0.54 CCSCCOCCC/C=C/B(O)O 7a_100000212035_200016261450 [0,1,0,0,0,0|2,0,1]=4 733 B13R0.54 CCSCCSCCC/C=C/B(O)O 62a_100000757381_200016261450 [0,1,0,0,0,0|2,0,1]=4 734 B13R0.54 CCSCCSCCC/C=C/B(O)O 62a_200016261450_100000757381 [0,1,0,0,0,0|2,0,1]=4 735 B13R0.54 CNCCCCCOC/C=C/B(O)O 34a_100000722520_100016262062 [0,1,0,0,0,0|2,0,1]=4 736 B13R0.54 CNCCCOCCC/C=C/B(O)O 34a_100000213112_200016261450 [0,1,0,0,0,0|2,0,1]=4 737 B13R0.54 COCCCCCCNOCC(=O)O 269956a_100000106656_100011998445 [0,1,0,0,0,0|2,0,1]=4 738 B13R0.54 COCCCCCNC/C=C/B(O)O 2230a_100000747528_100016262062 [0,1,0,0,0,0|2,0,1]=4 739 B13R0.54 COCCCCCNC/C=C/B(O)O 34a_100000747528_100016262062 [0,1,0,0,0,0|2,0,1]=4 740 B13R0.54 COCCCCNCCOCC(=O)O 269956a_100000700818_100000730899 [0,1,0,0,0,0|2,0,1]=4 741 B13R0.54 COCCCNCCC/C=C/B(O)O 34a_100150723488_200016261450 [0,1,0,0,0,0|2,0,1]=4 742 B13R0.54 COCCCOCCC/C=C/B(O)O 34a_100000740835_200016261450 [0,1,0,0,0,0|2,0,1]=4 743 B13R0.54 COCCCSCCC/C=C/B(O)O 62a_100000709357_200016261450 [0,1,0,0,0,0|2,0,1]=4 744 B13R0.54 COCCCSCCC/C=C/B(O)O 62a_200016261450_100000709357 [0,1,0,0,0,0|2,0,1]=4 745 B13R0.54 CSCCCNCCC/C=C/B(O)O 2230a_100000749238_200016261450 [0,1,0,0,0,0|2,0,1]=4 746 B13R0.54 CSCCCOCCC/C=C/B(O)O 34a_100000690336_200016261450 [0,1,0,0,0,0|2,0,1]=4 747 B13R0.54 CSCCCOCCC/C=C/B(O)O 7a_100000690336_200016261450 [0,1,0,0,0,0|2,0,1]=4 748 B13R0.54 NC(=O)CNCCCCCCCCO 2230a_100000711301_100000033203 [0,1,0,0,0,0|2,0,1]=4 749 B13R0.54 NC(=O)CNCCCCCCCCO 2230a_102515433106_100000747473 [0,1,0,0,0,0|2,0,1]=4 750 B13R0.54 NC(=O)CNCCCCCCCCO 34a_102515433106_100000187820 [0,1,0,0,0,0|2,0,1]=4 751 B13R0.54 NC(=O)COCCCCCCCCBr 34a_100009813846_100000187820 [0,1,0,0,0,0|2,0,1]=4 752 B13R0.54 NC(=O)COCCCCCCCCBr 7a_100009813846_100000187820 [0,1,0,0,0,0|2,0,1]=4 753 B13R0.54 NC(=O)COCCCCCCCCCl 34a_100000033203_100000187820 [0,1,0,0,0,0|2,0,1]=4 754 B13R0.54 NC(=O)COCCCCCCCCCl 7a_100000033203_100000187820 [0,1,0,0,0,0|2,0,1]=4 755 B13R0.54 NC(=O)CSCCCCCCCCO 62a_100000033203_100000747473 [0,1,0,0,0,0|2,0,1]=4 756 B13R0.54 NC(=O)CSCCCCCCCCO 62a_100000747473_100000033203 [0,1,0,0,0,0|2,0,1]=4 757 B13R0.54 NCCCCCCCCOCC(=O)N 34a_102515433106_100000187820 [0,1,0,0,0,0|2,0,1]=4 758 B13R0.54 NCCCCCCCCOCC(=O)[O-] 34a_102515433106_100020667443 [0,1,0,0,0,0|1,0,2]=4 759 B13R0.54 NCCCCCCOC/C=C/B(O)O 34a_100000686447_100016262062 [0,1,0,0,0,0|2,0,1]=4 760 B13R0.54 NCCCCOCCC/C=C/B(O)O 34a_100000750430_200016261450 [0,1,0,0,0,0|2,0,1]=4 761 B13R0.54 O=C(O)CNCCCCCCCCO 269956a_100016091260_100000033203 [0,1,0,0,0,0|1,0,1]=3 762 B13R0.54 O=C(O)COCCNCCCCCF 269956a_100000700818_100000729378 [0,1,0,0,0,0|2,0,1]=4 763 B13R0.54 O=C(O)COCCNCCCCCO 269956a_100000700818_100000746330 [0,1,0,0,0,0|2,0,1]=4 764 B13R0.54 O=C(O)CONCCCCCCCO 269956a_100000106656_100000760002 [0,1,0,0,0,0|2,0,1]=4 765 B13R0.54 O=C([O-])CNCCCCCCCCO 34a_102515433106_100020667443 [0,1,0,0,0,0|1,0,2]=4 766 B13R0.54 O=C([O-])COCCCCCCCCBr 34a_100009813846_100020667443 [0,1,0,0,0,0|1,0,2]=4 767 B13R0.54 O=C([O-])COCCCCCCCCCl 34a_100000033203_100020667443 [0,1,0,0,0,0|1,0,2]=4 768 B13R0.54 O=C([O-])CSCCCCCCCCO 62a_100000033203_100020667443 [0,1,0,0,0,0|1,0,2]=4 769 B13R0.54 O=C([O-])CSCCCCCCCCO 62a_100020667443_100000033203 [0,1,0,0,0,0|1,0,2]=4 770 B13R0.54 OB(O)/C=C/CCCOCCCCBr 34a_100011216708_200016261450 [0,1,0,0,0,0|2,0,1]=4 771 B13R0.54 OB(O)/C=C/CCCOCCCCCl 34a_100000210776_200016261450 [0,1,0,0,0,0|2,0,1]=4 772 B13R0.54 OB(O)/C=C/CCCOCCCCCl 7a_100000210776_200016261450 [0,1,0,0,0,0|2,0,1]=4 773 B13R0.54 OB(O)/C=C/CCCOCCCCF 34a_100011995726_200016261450 [0,1,0,0,0,0|2,0,1]=4 774 B13R0.54 OB(O)/C=C/CCCOCCCCF 7a_100011995726_200016261450 [0,1,0,0,0,0|2,0,1]=4 775 B13R0.54 OB(O)/C=C/CCCOCCCCI 34a_200012148704_200016261450 [0,1,0,0,0,0|2,0,1]=4 776 B13R0.54 OB(O)/C=C/CCCSCCCCF 62a_100000729493_200016261450 [0,1,0,0,0,0|2,0,1]=4 777 B13R0.54 OB(O)/C=C/CCCSCCCCF 62a_200016261450_100000729493 [0,1,0,0,0,0|2,0,1]=4 778 B13R0.54 OB(O)/C=C/COCCCCCCBr 34a_100011215345_100016262062 [0,1,0,0,0,0|2,0,1]=4 779 B13R0.54 OB(O)/C=C/COCCCCCCBr 7a_100011215345_100016262062 [0,1,0,0,0,0|2,0,1]=4 780 B13R0.54 OB(O)/C=C/COCCCCCCCl 34a_100000766143_100016262062 [0,1,0,0,0,0|2,0,1]=4 781 B13R0.54 OB(O)/C=C/COCCCCCCCl 7a_100000766143_100016262062 [0,1,0,0,0,0|2,0,1]=4 782 B13R0.54 OB(O)/C=C/COCCCCCCF 34a_100000732779_100016262062 [0,1,0,0,0,0|2,0,1]=4 783 B13R0.54 OB(O)/C=C/COCCCCCCF 7a_100000732779_100016262062 [0,1,0,0,0,0|2,0,1]=4 784 B13R0.54 OB(O)/C=C/CSCCCCCCF 62a_100015922095_100016262062 [0,1,0,0,0,0|2,0,1]=4 785 B13R0.54 OB(O)/C=C/CSCCCCCCF 62a_100016262062_100015922095 [0,1,0,0,0,0|2,0,1]=4 786 B13R0.54 OCCCCCCNC/C=C/B(O)O 2230a_100000686447_100016262062 [0,1,0,0,0,0|2,0,1]=4 787 B13R0.54 OCCCCCCNC/C=C/B(O)O 34a_100000686447_100016262062 [0,1,0,0,0,0|2,0,1]=4 788 B13R0.54 OCCCCCCSC/C=C/B(O)O 62a_100000766143_100016262062 [0,1,0,0,0,0|2,0,1]=4 789 B13R0.54 OCCCCCCSC/C=C/B(O)O 62a_100016262062_100000766143 [0,1,0,0,0,0|2,0,1]=4 790 B13R0.54 OCCCCNCCC/C=C/B(O)O 2230a_100000750430_200016261450 [0,1,0,0,0,0|2,0,1]=4 791 B13R0.54 OCCCCNCCC/C=C/B(O)O 34a_100000750430_200016261450 [0,1,0,0,0,0|2,0,1]=4 792 B13R0.54 OCCCCSCCC/C=C/B(O)O 62a_100000210776_200016261450 [0,1,0,0,0,0|2,0,1]=4 793 B13R0.54 OCCCCSCCC/C=C/B(O)O 62a_200016261450_100000210776 [0,1,0,0,0,0|2,0,1]=4 794 B13R0.88 CCCC(C)CCOC/C=C/B(O)O 34a_100011217855_100016262062 [0,1,0,0,0,0|2,0,1]=4 795 B13R0.88 CCCC(C)CCOC/C=C/B(O)O 7a_100011217855_100016262062 [0,1,0,0,0,0|2,0,1]=4 796 B13R0.88 CCCC(C)CNCCOCC(=O)O 269956a_100000700818_100011216630 [0,1,0,0,0,0|2,0,1]=4 797 B13R0.88 CCCC(C)NCCC/C=C/B(O)O 2230a_100000741246_200016261450 [0,1,0,0,0,0|2,0,1]=4 798 B13R0.88 CCCC(C)OCCC/C=C/B(O)O 34a_100000764384_200016261450 [0,1,0,0,0,0|2,0,1]=4 799 B13R0.88 CCCC(C)OCCC/C=C/B(O)O 7a_100000764384_200016261450 [0,1,0,0,0,0|2,0,1]=4 800 B13R0.88 CCCC(C)SCCC/C=C/B(O)O 62a_100000766640_200016261450 [0,1,0,0,0,0|2,0,1]=4 801 B13R0.88 CCCC(C)SCCC/C=C/B(O)O 62a_200016261450_100000766640 [0,1,0,0,0,0|2,0,1]=4 802 B13R0.88 CCC[C@H](N)CCOC/C=C/B(O)O 34a_100015193777_100016262062 [0,1,0,0,0,0|2,0,1]=4 803 B13R0.119 CCCCC(C)COC/C=C/B(O)O 34a_100011995851_100016262062 [0,1,0,0,0,0|2,0,1]=4 804 B13R0.119 CCCCC(C)COC/C=C/B(O)O 7a_100011995851_100016262062 [0,1,0,0,0,0|2,0,1]=4 805 B13R0.119 CCCCC(C)NCCOCC(=O)O 269956a_100000700818_200011215066 [0,1,0,0,0,0|2,0,1]=4 806 B13R0.119 CCCCN(C)CCC/C=C/B(O)O 2230a_100000207549_200016261450 [0,1,0,0,0,0|2,0,1]=4 807 B13R0.119 CCCCN(C)CCC/C=C/B(O)O 269982a_100000207549_200016261450 [0,1,0,0,0,0|2,0,1]=4 808 B13R0.119 CCCC[C@H](N)COC/C=C/B(O)O 34a_100011934283_100016262062 [0,1,0,0,0,0|2,0,1]=4 809 B13R0.147 C#CC(=O)CCCCCCCCCC 1458a_100000211873_100000210319 [0,1,0,0,0,0|1,0,2]=4 810 B13R0.147 C#CCCCCNC/C=C/C(=O)OC 2230a_100000706060_100000742655 [0,1,0,0,0,0|1,0,2]=4 811 B13R0.147 C#CCCCCNC/C=C/C(=O)OC 34a_100000706060_100000742655 [0,1,0,0,0,0|1,0,2]=4 812 B13R0.147 C#CCCCCOC/C=C/C(=O)OC 34a_100000766709_100000742655 [0,1,0,0,0,0|1,0,2]=4 813 B13R0.147 C#CCCCCOC/C=C/C(=O)OC 7a_100000766709_100000742655 [0,1,0,0,0,0|1,0,2]=4 814 B13R0.147 C#CCCCCSC/C=C/C(=O)OC 62a_100000742655_100010269958 [0,1,0,0,0,0|1,0,2]=4 815 B13R0.147 C#CCCCCSC/C=C/C(=O)OC 62a_100010269958_100000742655 [0,1,0,0,0,0|1,0,2]=4 816 B13R0.147 C=CC(=O)CCCCCCCCCC 1458a_100000185746_100000210319 [0,1,0,0,0,0|1,0,2]=4 817 B13R0.147 C=CC(=O)NCCCCCCCCC 1626a_100000212291_100000185746 [0,1,0,0,0,0|2,0,1]=4 818 B13R0.147 C=CC(=O)NCCCCCCCCC 240690a_100000212291_200121576911 [0,1,0,0,0,0|2,0,1]=4 819 B13R0.147 C=CCCCCNC/C=C/C(=O)OC 2230a_100000703577_100000742655 [0,1,0,0,0,0|1,0,2]=4 820 B13R0.147 C=CCCCCNC/C=C/C(=O)OC 34a_100000703577_100000742655 [0,1,0,0,0,0|1,0,2]=4 821 B13R0.147 C=CCCCCOC/C=C/C(=O)OC 34a_100000766645_100000742655 [0,1,0,0,0,0|1,0,2]=4 822 B13R0.147 C=CCCCCOC/C=C/C(=O)OC 7a_100000766645_100000742655 [0,1,0,0,0,0|1,0,2]=4 823 B13R0.147 C=CCCCCSC/C=C/C(=O)OC 62a_100000742655_100011215482 [0,1,0,0,0,0|1,0,2]=4 824 B13R0.147 C=CCCCCSC/C=C/C(=O)OC 62a_100011215482_100000742655 [0,1,0,0,0,0|1,0,2]=4 825 B13R0.147 CC/C=C\CCOC/C=C/C(=O)OC 34a_100016288707_100000742655 [0,1,0,0,0,0|1,0,2]=4 826 B13R0.147 CC/C=C\CCOC/C=C/C(=O)OC 7a_100016288707_100000742655 [0,1,0,0,0,0|1,0,2]=4 827 B13R0.147 CC/C=C\CCSC/C=C/C(=O)OC 62a_100000742655_100015370543 [0,1,0,0,0,0|1,0,2]=4 828 B13R0.147 CC/C=C\CCSC/C=C/C(=O)OC 62a_100015370543_100000742655 [0,1,0,0,0,0|1,0,2]=4 829 B13R0.147 CC=CCCCOC/C=C/C(=O)OC 34a_100020645299_100000742655 [0,1,0,0,0,0|1,0,2]=4 830 B13R0.147 CCC#CCCOC/C=C/C(=O)OC 34a_100000036655_100000742655 [0,1,0,0,0,0|1,0,2]=4 831 B13R0.147 CCC#CCCOC/C=C/C(=O)OC 7a_100000036655_100000742655 [0,1,0,0,0,0|1,0,2]=4 832 B13R0.147 CCC/C=C/COC/C=C/C(=O)OC 34a_100016278788_100000742655 [0,1,0,0,0,0|1,0,2]=4 833 B13R0.147 CCC/C=C/COC/C=C/C(=O)OC 7a_100016278788_100000742655 [0,1,0,0,0,0|1,0,2]=4 834 B13R0.147 CCCC#CCOC/C=C/C(=O)OC 34a_100000034806_100000742655 [0,1,0,0,0,0|1,0,2]=4 835 B13R0.147 CCCC#CCOC/C=C/C(=O)OC 7a_100000034806_100000742655 [0,1,0,0,0,0|1,0,2]=4 836 B13R0.147 CCCCCCCCC=CC(=O)CC 1458a_100015345288_100000210202 [0,1,0,0,0,0|1,0,0]=2 837 B13R0.147 CCCCCCCCC=CC(=O)CF 1458a_100015345288_100015361967 [0,1,0,0,0,0|1,0,0]=2 838 B13R0.147 CCCCCCCCC=CC(=O)NC 11a_106832991635_100015345288 [0,1,0,0,0,0|1,0,0]=2 839 B13R0.147 CCCCCCCCC=CC(=O)NC 1626a_100102657272_100015345288 [0,1,0,0,0,0|1,0,0]=2 840 B13R0.147 CCCCCCCCC=CC(=O)NC 240690a_100102657272_100015345288 [0,1,0,0,0,0|1,0,0]=2 841 B13R0.147 CCCCCCCCCCC(=O)CC 1458a_100000210375_100000210202 [0,1,0,0,0,0|1,0,2]=4 842 B13R0.147 CCCCCCCCCCC(=O)CC 1458a_100000210414_100000210319 [0,1,0,0,0,0|1,0,2]=4 843 B13R0.147 CCCCCCCCCCC(=O)CF 1458a_100000210375_100015361967 [0,1,0,0,0,0|1,0,2]=4 844 B13R0.147 CCCCCCCCCCC(=O)CO 1458a_100000210174_100000210319 [0,1,0,0,0,0|0,0,2]=3 845 B13R0.147 CCCCCCCCCCC(=O)NC 11a_106832991635_100000210375 [0,1,0,0,0,0|1,0,2]=4 846 B13R0.147 CCCCCCCCCCC(=O)NC 1626a_100102657272_100000210375 [0,1,0,0,0,0|1,0,2]=4 847 B13R0.147 CCCCCCCCCCC(=O)NC 240690a_100102657272_100000210375 [0,1,0,0,0,0|1,0,2]=4 848 B13R0.147 CCCCCCCCCNC(=O)CC 11a_100000212291_100000210414 [0,1,0,0,0,0|2,0,1]=4 849 B13R0.147 CCCCCCCCCNC(=O)CC 1626a_100000212291_100000210414 [0,1,0,0,0,0|2,0,1]=4 850 B13R0.147 CCCCCCCCCNC(=O)CC 240690a_100000212291_100000210414 [0,1,0,0,0,0|2,0,1]=4 851 B13R0.147 CCCCCCCCCNC(=O)CC 527a_100000212291_100000210414 [0,1,0,0,0,0|2,0,1]=4 852 B13R0.147 CCCCCCCCCNC(=O)CO 240690a_100000212291_100000210174 [0,1,0,0,0,0|1,0,1]=3 853 B13R0.147 CCCCCCCCCNC(=O)CO 527a_100000212291_100000210174 [0,1,0,0,0,0|1,0,1]=3 854 B13R0.147 CCCCCCCCCNC(=O)NC 2708a_100000212291_106832991635 [0,1,0,0,0,0|2,0,1]=4 855 B13R0.147 CCCCCCCCCNC(=O)NC 2708a_100102657272_100000212291 [0,1,0,0,0,0|2,0,1]=4 856 B13R0.147 CCCCCCCCCNC(=O)NC 273464a_100000212291_100102657272 [0,1,0,0,0,0|2,0,1]=4 857 B13R0.147 CCCCCCCCCNC(=O)NC 273464a_100102657272_100000212291 [0,1,0,0,0,0|2,0,1]=4 858 B13R0.147 CCCCCCCCCNC(=O)NC 512a_100000212291_100102657272 [0,1,0,0,0,0|2,0,1]=4 859 B13R0.147 CCCCCCCCCNC(=O)NC 512a_106832991638_100000212291 [0,1,0,0,0,0|2,0,1]=4 860 B13R0.147 CCCCCCCCNCC(=O)NC 2230a_100000229939_100000183359 [0,1,0,0,0,0|2,0,1]=4 861 B13R0.147 CCCCCCCCNCC(=O)NC 2230a_100000693194_100000210759 [0,1,0,0,0,0|2,0,1]=4 862 B13R0.147 CCCCCCCCNCC(=O)NC 34a_100000229939_100000183359 [0,1,0,0,0,0|2,0,1]=4 863 B13R0.147 CCCCCCCCNCC(=O)OC 2230a_100000229939_100000747449 [0,1,0,0,0,0|1,0,1]=3 864 B13R0.147 CCCCCCCCNCC(=O)OC 34a_100000229939_100000747449 [0,1,0,0,0,0|1,0,1]=3 865 B13R0.147 CCCCCCCCOCC(=O)CC 1458a_100000759886_100000210202 [0,1,0,0,0,0|2,0,1]=4 866 B13R0.147 CCCCCCCCOCC(=O)CC 34a_100000725409_100000210759 [0,1,0,0,0,0|2,0,1]=4 867 B13R0.147 CCCCCCCCOCC(=O)CC 7a_100000210232_100000747405 [0,1,0,0,0,0|2,0,1]=4 868 B13R0.147 CCCCCCCCOCC(=O)CF 1458a_100000759886_100015361967 [0,1,0,0,0,0|2,0,1]=4 869 B13R0.147 CCCCCCCCOCC(=O)NC 11a_106832991635_100000759886 [0,1,0,0,0,0|2,0,1]=4 870 B13R0.147 CCCCCCCCOCC(=O)NC 1626a_100102657272_100000759886 [0,1,0,0,0,0|2,0,1]=4 871 B13R0.147 CCCCCCCCOCC(=O)NC 240690a_100102657272_100000759886 [0,1,0,0,0,0|2,0,1]=4 872 B13R0.147 CCCCCCCCOCC(=O)NC 34a_100000210232_100000183359 [0,1,0,0,0,0|2,0,1]=4 873 B13R0.147 CCCCCCCCOCC(=O)NC 34a_100000750040_100000210759 [0,1,0,0,0,0|2,0,1]=4 874 B13R0.147 CCCCCCCCOCC(=O)NC 527a_100102657272_100000759886 [0,1,0,0,0,0|2,0,1]=4 875 B13R0.147 CCCCCCCCOCC(=O)NC 7a_100000210232_100000183359 [0,1,0,0,0,0|2,0,1]=4 876 B13R0.147 CCCCCCCCOCC(=O)OC 34a_100000210232_100000747449 [0,1,0,0,0,0|1,0,1]=3 877 B13R0.147 CCCCCCCCOCC(=O)OC 7a_100000210232_100000747449 [0,1,0,0,0,0|1,0,1]=3 878 B13R0.147 CCCCCCCCSCC(=O)CC 62a_100000210759_100000747405 [0,1,0,0,0,0|2,0,1]=4 879 B13R0.147 CCCCCCCCSCC(=O)CC 62a_100000747405_100000210317 [0,1,0,0,0,0|2,0,1]=4 880 B13R0.147 CCCCCCCCSCC(=O)NC 62a_100000183359_100000210317 [0,1,0,0,0,0|2,0,1]=4 881 B13R0.147 CCCCCCCCSCC(=O)NC 62a_100000210759_100000183359 [0,1,0,0,0,0|2,0,1]=4 882 B13R0.147 CCCCCCCCSCC(=O)OC 62a_100000210759_100000747449 [0,1,0,0,0,0|1,0,1]=3 883 B13R0.147 CCCCCCCCSCC(=O)OC 62a_100000747449_100000210317 [0,1,0,0,0,0|1,0,1]=3 884 B13R0.147 CCCCCCCNCCC(=O)OC 2230a_100000229938_100000204255 [0,1,0,0,0,0|1,0,2]=4 885 B13R0.147 CCCCCCCOCCC(=O)OC 34a_100000210272_100000742370 [0,1,0,0,0,0|1,0,2]=4 886 B13R0.147 CCCCCCCOCCC(=O)OC 7a_100000210272_100000204255 [0,1,0,0,0,0|1,0,2]=4 887 B13R0.147 CCCCCCCSCCC(=O)OC 62a_100000204255_100000210316 [0,1,0,0,0,0|1,0,2]=4 888 B13R0.147 CCCCCCCSCCC(=O)OC 62a_100000210614_100000204255 [0,1,0,0,0,0|1,0,2]=4 889 B13R0.147 CCCCCCCSCOC(=O)OC 62a_100000210614_100000139417 [0,1,0,0,0,0|2,0,1]=4 890 B13R0.147 CCCCCCNC/C=C/C(=O)OC 2230a_100000210581_100000742655 [0,1,0,0,0,0|1,0,0]=2 891 B13R0.147 CCCCCCNCCCC(=O)OC 2230a_100000210581_100011218270 [0,1,0,0,0,0|1,0,2]=4 892 B13R0.147 CCCCCCOC/C=C/C(=O)OC 34a_100000210259_100000742655 [0,1,0,0,0,0|1,0,0]=2 893 B13R0.147 CCCCCCOC/C=C/C(=O)OC 7a_100000210259_100000742655 [0,1,0,0,0,0|1,0,0]=2 894 B13R0.147 CCCCCCOCCCC(=O)OC 34a_100000210259_100000742333 [0,1,0,0,0,0|1,0,2]=4 895 B13R0.147 CCCCCCOCCCC(=O)OC 7a_100000210259_100011218270 [0,1,0,0,0,0|1,0,2]=4 896 B13R0.147 CCCCCCOCCNC(=O)OC 34a_100000757965_100000210314 [0,1,0,0,0,0|2,0,1]=4 897 B13R0.147 CCCCCCOCCOC(=O)OC 34a_100010262106_100000210314 [0,1,0,0,0,0|2,0,1]=4 898 B13R0.147 CCCCCCSC/C=C/C(=O)OC 62a_100000210314_100000742655 [0,1,0,0,0,0|1,0,0]=2 899 B13R0.147 CCCCCCSC/C=C/C(=O)OC 62a_100000742655_100000210757 [0,1,0,0,0,0|1,0,0]=2 900 B13R0.147 CCCCCCSCCCC(=O)OC 62a_100000210314_100011218270 [0,1,0,0,0,0|1,0,2]=4 901 B13R0.147 CCCCCCSCCCC(=O)OC 62a_100011218270_100000210757 [0,1,0,0,0,0|1,0,2]=4 902 B13R0.147 CCCCCNCCCCC(=O)OC 2230a_100000209983_100000204269 [0,1,0,0,0,0|1,0,2]=4 903 B13R0.147 CCCCCNCCOCC(=O)OC 2230a_100000209983_100000090808 [0,1,0,0,0,0|2,0,1]=4 904 B13R0.147 CCCCCNCCOCC(=O)OC 34a_100000224656_100000747449 [0,1,0,0,0,0|2,0,1]=4 905 B13R0.147 CCCCCNN=CC=CC(=O)OC 4a_100000694160_100016254430 [0,1,0,0,0,0|2,0,1]=4 906 B13R0.147 CCCCCOCCCCC(=O)OC 34a_100000059025_100000718602 [0,1,0,0,0,0|1,0,2]=4 907 B13R0.147 CCCCCOCCCCC(=O)OC 34a_100000210253_100000204269 [0,1,0,0,0,0|1,0,2]=4 908 B13R0.147 CCCCCOCCCCC(=O)OC 7a_100000059025_100000210326 [0,1,0,0,0,0|1,0,2]=4 909 B13R0.147 CCCCCOCCCCC(=O)OC 7a_100000210253_100000204269 [0,1,0,0,0,0|1,0,2]=4 910 B13R0.147 CCCCCOCCOCC(=O)OC 34a_100000210253_100000090808 [0,1,0,0,0,0|2,0,1]=4 911 B13R0.147 CCCCCOCCOCC(=O)OC 34a_100011215259_100000747449 [0,1,0,0,0,0|2,0,1]=4 912 B13R0.147 CCCCCOCCOCC(=O)OC 7a_100000210253_100000090808 [0,1,0,0,0,0|2,0,1]=4 913 B13R0.147 CCCCCOCCOCC(=O)OC 7a_100011215259_100000747449 [0,1,0,0,0,0|2,0,1]=4 914 B13R0.147 CCCCCSCCCCC(=O)OC 62a_100000204269_100000210326 [0,1,0,0,0,0|1,0,2]=4 915 B13R0.147 CCCCCSCCCCC(=O)OC 62a_100000210326_100000204269 [0,1,0,0,0,0|1,0,2]=4 916 B13R0.147 CCCCCSCCOCC(=O)OC 62a_100000090808_100000210326 [0,1,0,0,0,0|2,0,1]=4 917 B13R0.147 CCCCCSCCOCC(=O)OC 62a_100000210326_100000090808 [0,1,0,0,0,0|2,0,1]=4 918 B13R0.147 CCCCNCCCCCC(=O)OC 2230a_100000102301_100009816466 [0,1,0,0,0,0|1,0,2]=4 919 B13R0.147 CCCCNCCCCCC(=O)OC 7a_106832991798_100009816466 [0,1,0,0,0,0|1,0,2]=4 920 B13R0.147 CCCCOCCCCCC(=O)OC 34a_100000074720_100000210210 [0,1,0,0,0,0|1,0,2]=4 921 B13R0.147 CCCCOCCCCCC(=O)OC 34a_100000210227_100009816466 [0,1,0,0,0,0|1,0,2]=4 922 B13R0.147 CCCCOCCCCCC(=O)OC 7a_100000074720_100000210211 [0,1,0,0,0,0|1,0,2]=4 923 B13R0.147 CCCCOCCCCCC(=O)OC 7a_100000210227_100009816466 [0,1,0,0,0,0|1,0,2]=4 924 B13R0.147 CCCCOCCCNCC(=O)OC 2230a_200000211371_100000747449 [0,1,0,0,0,0|2,0,1]=4 925 B13R0.147 CCCCOCCCNCC(=O)OC 34a_200000211371_100000747449 [0,1,0,0,0,0|2,0,1]=4 926 B13R0.147 CCCCOCCCOCC(=O)OC 34a_200011215613_100000747449 [0,1,0,0,0,0|2,0,1]=4 927 B13R0.147 CCCCOCCCOCC(=O)OC 7a_200011215613_100000747449 [0,1,0,0,0,0|2,0,1]=4 928 B13R0.147 CCCCOCSC/C=C/C(=O)OC 62a_100000742655_100011995733 [0,1,0,0,0,0|2,0,0]=3 929 B13R0.147 CCCCOCSC/C=C/C(=O)OC 62a_100011995733_100000742655 [0,1,0,0,0,0|2,0,0]=3 930 B13R0.147 CCCCSCCCCCC(=O)OC 62a_100000210211_100009816466 [0,1,0,0,0,0|1,0,2]=4 931 B13R0.147 CCCCSCCCCCC(=O)OC 62a_100009816466_100000210210 [0,1,0,0,0,0|1,0,2]=4 932 B13R0.147 CCCOCCCCCCC(=O)OC 34a_100000210258_100009815986 [0,1,0,0,0,0|1,0,2]=4 933 B13R0.147 CCCOCCCCCCC(=O)OC 34a_100009863599_100000210303 [0,1,0,0,0,0|1,0,2]=4 934 B13R0.147 CCCOCCCCCCC(=O)OC 7a_100009863599_100000210303 [0,1,0,0,0,0|1,0,2]=4 935 B13R0.147 CCCOCCNC/C=C/C(=O)OC 2230a_100161115042_100000742655 [0,1,0,0,0,0|2,0,0]=3 936 B13R0.147 CCCOCCNC/C=C/C(=O)OC 34a_100161115042_100000742655 [0,1,0,0,0,0|2,0,0]=3 937 B13R0.147 CCCOCCOC/C=C/C(=O)OC 34a_100000752267_100000742655 [0,1,0,0,0,0|2,0,0]=3 938 B13R0.147 CCCOCCOC/C=C/C(=O)OC 7a_100000752267_100000742655 [0,1,0,0,0,0|2,0,0]=3 939 B13R0.147 CCCOCCSC/C=C/C(=O)OC 62a_100000742655_100011215938 [0,1,0,0,0,0|2,0,0]=3 940 B13R0.147 CCCOCCSC/C=C/C(=O)OC 62a_100011215938_100000742655 [0,1,0,0,0,0|2,0,0]=3 941 B13R0.147 CCCSCCCCCCC(=O)OC 62a_100000210303_100009815986 [0,1,0,0,0,0|1,0,2]=4 942 B13R0.147 CCCSCCCCCCC(=O)OC 62a_100009815986_100000210303 [0,1,0,0,0,0|1,0,2]=4 943 B13R0.147 CCCSCCNC/C=C/C(=O)OC 2230a_100020603323_100000742655 [0,1,0,0,0,0|2,0,0]=3 944 B13R0.147 CCCSCCOC/C=C/C(=O)OC 34a_200000230433_100000742655 [0,1,0,0,0,0|2,0,0]=3 945 B13R0.147 CCCSCCOC/C=C/C(=O)OC 7a_200000230433_100000742655 [0,1,0,0,0,0|2,0,0]=3 946 B13R0.147 CCNCCCCCCCC(=O)OC 2230a_100015525214_100010004213 [0,1,0,0,0,0|1,0,2]=4 947 B13R0.147 CCOCCCCCCCC(=O)OC 34a_100011022521_100000210202 [0,1,0,0,0,0|1,0,2]=4 948 B13R0.147 CCOCCCCCCCC(=O)OC 34a_100121572206_100010004213 [0,1,0,0,0,0|1,0,2]=4 949 B13R0.147 CCOCCCCCCCC(=O)OC 7a_100011022521_100000210202 [0,1,0,0,0,0|1,0,2]=4 950 B13R0.147 CCOCCCNC/C=C/C(=O)OC 2230a_100000210961_100000742655 [0,1,0,0,0,0|2,0,0]=3 951 B13R0.147 CCOCCCNC/C=C/C(=O)OC 34a_100000210961_100000742655 [0,1,0,0,0,0|2,0,0]=3 952 B13R0.147 CCOCCCOC/C=C/C(=O)OC 34a_100000757476_100000742655 [0,1,0,0,0,0|2,0,0]=3 953 B13R0.147 CCOCCCOC/C=C/C(=O)OC 7a_100000757476_100000742655 [0,1,0,0,0,0|2,0,0]=3 954 B13R0.147 CCOCCCSC/C=C/C(=O)OC 62a_100000742655_100012232248 [0,1,0,0,0,0|2,0,0]=3 955 B13R0.147 CCOCCCSC/C=C/C(=O)OC 62a_100012232248_100000742655 [0,1,0,0,0,0|2,0,0]=3 956 B13R0.147 CCSCCCCCCCC(=O)OC 62a_100000210202_100010004213 [0,1,0,0,0,0|1,0,2]=4 957 B13R0.147 CCSCCCCCCCC(=O)OC 62a_100010004213_100000210202 [0,1,0,0,0,0|1,0,2]=4 958 B13R0.147 CCSCCCOC/C=C/C(=O)OC 34a_100011216438_100000742655 [0,1,0,0,0,0|2,0,0]=3 959 B13R0.147 CCSCCCOC/C=C/C(=O)OC 7a_100011216438_100000742655 [0,1,0,0,0,0|2,0,0]=3 960 B13R0.147 CNC(=O)C=CCCCCCCCO 1626a_100102657272_100016988705 [0,1,0,0,0,0|2,0,0]=3 961 B13R0.147 CNC(=O)C=CCCCCCCCO 240690a_100102657272_100016988705 [0,1,0,0,0,0|2,0,0]=3 962 B13R0.147 CNCCCCCCCCC(=O)OC 2230a_106832991635_100010282707 [0,1,0,0,0,0|1,0,2]=4 963 B13R0.147 CNCCCCCCCCC(=O)OC 34a_100102657272_100010282707 [0,1,0,0,0,0|1,0,2]=4 964 B13R0.147 CNCCCCCCCCC(=O)OC 7a_106832991635_100010282707 [0,1,0,0,0,0|1,0,2]=4 965 B13R0.147 COC(=O)/C=C/CNCCCCCO 2230a_100000762737_100000742655 [0,1,0,0,0,0|2,0,0]=3 966 B13R0.147 COC(=O)/C=C/CNCCCCCO 34a_100000762737_100000742655 [0,1,0,0,0,0|2,0,0]=3 967 B13R0.147 COC(=O)/C=C/CNCCOCCO 2230a_100000211614_100000742655 [0,1,0,0,0,0|3,0,0]=4 968 B13R0.147 COC(=O)/C=C/CNCCOCCO 34a_100000211614_100000742655 [0,1,0,0,0,0|3,0,0]=4 969 B13R0.147 COC(=O)/C=C/CNCCSCCO 2230a_100011219999_100000742655 [0,1,0,0,0,0|3,0,0]=4 970 B13R0.147 COC(=O)/C=C/COCCCCCBr 34a_100000746331_100000742655 [0,1,0,0,0,0|2,0,0]=3 971 B13R0.147 COC(=O)/C=C/COCCCCCBr 7a_100000746331_100000742655 [0,1,0,0,0,0|2,0,0]=3 972 B13R0.147 COC(=O)/C=C/COCCCCCCl 34a_100000746330_100000742655 [0,1,0,0,0,0|2,0,0]=3 973 B13R0.147 COC(=O)/C=C/COCCCCCCl 7a_100000746330_100000742655 [0,1,0,0,0,0|2,0,0]=3 974 B13R0.147 COC(=O)/C=C/COCCCCCI 34a_200012148887_100000742655 [0,1,0,0,0,0|2,0,0]=3 975 B13R0.147 COC(=O)/C=C/COCCCCCI 7a_200012148887_100000742655 [0,1,0,0,0,0|2,0,0]=3 976 B13R0.147 COC(=O)/C=C/COCCCCCN 34a_100000762737_100000742655 [0,1,0,0,0,0|2,0,0]=3 977 B13R0.147 COC(=O)/C=C/COCCCCSC 34a_100011217163_100000742655 [0,1,0,0,0,0|2,0,0]=3 978 B13R0.147 COC(=O)/C=C/COCCCCSC 7a_100011217163_100000742655 [0,1,0,0,0,0|2,0,0]=3 979 B13R0.147 COC(=O)/C=C/COCCOCCBr 34a_100000692535_100000742655 [0,1,0,0,0,0|3,0,0]=4 980 B13R0.147 COC(=O)/C=C/COCCOCCBr 7a_100000692535_100000742655 [0,1,0,0,0,0|3,0,0]=4 981 B13R0.147 COC(=O)/C=C/COCCOCCCl 34a_100011215305_100000742655 [0,1,0,0,0,0|3,0,0]=4 982 B13R0.147 COC(=O)/C=C/COCCOCCCl 7a_100011215305_100000742655 [0,1,0,0,0,0|3,0,0]=4 983 B13R0.147 COC(=O)/C=C/COCCOCCF 34a_200015357709_100000742655 [0,1,0,0,0,0|3,0,0]=4 984 B13R0.147 COC(=O)/C=C/COCCOCCF 7a_200015357709_100000742655 [0,1,0,0,0,0|3,0,0]=4 985 B13R0.147 COC(=O)/C=C/COCCOCCI 34a_100012149058_100000742655 [0,1,0,0,0,0|3,0,0]=4 986 B13R0.147 COC(=O)/C=C/COCCOCCI 7a_100012149058_100000742655 [0,1,0,0,0,0|3,0,0]=4 987 B13R0.147 COC(=O)/C=C/COCCOCCN 34a_100000211614_100000742655 [0,1,0,0,0,0|3,0,0]=4 988 B13R0.147 COC(=O)/C=C/CSCCCCC#N 62a_100000742655_100000211819 [0,1,0,0,0,0|2,0,1]=4 989 B13R0.147 COC(=O)/C=C/CSCCCCC#N 62a_100011219923_100000742655 [0,1,0,0,0,0|2,0,1]=4 990 B13R0.147 COC(=O)/C=C/CSCCCCC=O 62a_100000139335_100000742655 [0,1,0,0,0,0|2,0,1]=4 991 B13R0.147 COC(=O)/C=C/CSCCCCC=O 62a_100000742655_100000139335 [0,1,0,0,0,0|2,0,1]=4 992 B13R0.147 COC(=O)/C=C/CSCCCCCF 62a_100000729378_100000742655 [0,1,0,0,0,0|2,0,0]=3 993 B13R0.147 COC(=O)/C=C/CSCCCCCF 62a_100000742655_100000729378 [0,1,0,0,0,0|2,0,0]=3 994 B13R0.147 COC(=O)/C=C/CSCCCCCO 62a_100000742655_100000746330 [0,1,0,0,0,0|2,0,0]=3 995 B13R0.147 COC(=O)/C=C/CSCCCCCO 62a_100000746330_100000742655 [0,1,0,0,0,0|2,0,0]=3 996 B13R0.147 COC(=O)/C=C/CSCCOCCO 62a_100000742655_100011215305 [0,1,0,0,0,0|3,0,0]=4 997 B13R0.147 COC(=O)/C=C/CSCCOCCO 62a_100011215305_100000742655 [0,1,0,0,0,0|3,0,0]=4 998 B13R0.147 COC(=O)CCCCCCCCO[13CH3] 34a_100000035544_200025704644 [0,1,0,0,0,0|1,0,2]=4 999 B13R0.147 COC(=O)CCCCCCCCO[13CH3] 7a_100000035544_200025704644 [0,1,0,0,0,0|1,0,2]=4 1000 B13R0.147 COC(=O)CCCCCCCCSC 62a_100010282707_200000210301 [0,1,0,0,0,0|1,0,2]=4 1001 B13R0.147 COC(=O)CCCCCCCCSC 62a_200000210301_100010282707 [0,1,0,0,0,0|1,0,2]=4 1002 B13R0.147 COC(=O)CCCCCCCCS[13CH3] 62a_100010282707_200025704644 [0,1,0,0,0,0|1,0,2]=4 1003 B13R0.147 COC(=O)CCCCCCCCS[13CH3] 62a_200025704644_100010282707 [0,1,0,0,0,0|1,0,2]=4 1004 B13R0.147 COC(=O)CNCCCCCCCO 2230a_100011996573_100000747449 [0,1,0,0,0,0|2,0,1]=4 1005 B13R0.147 COC(=O)CNCCCCCCCO 34a_100011996573_100000747449 [0,1,0,0,0,0|2,0,1]=4 1006 B13R0.147 COC(=O)COCCCCCCCBr 34a_100000760002_100000747449 [0,1,0,0,0,0|2,0,1]=4 1007 B13R0.147 COC(=O)COCCCCCCCBr 7a_100000760002_100000747449 [0,1,0,0,0,0|2,0,1]=4 1008 B13R0.147 COC(=O)COCCCCCCCN 34a_100011996573_100000747449 [0,1,0,0,0,0|2,0,1]=4 1009 B13R0.147 COC(=O)CSCCCCCCCO 62a_100000747449_100000760002 [0,1,0,0,0,0|2,0,1]=4 1010 B13R0.147 COC(=O)CSCCCCCCCO 62a_100000760002_100000747449 [0,1,0,0,0,0|2,0,1]=4 1011 B13R0.147 COCCCCCCCCC(=O)OC 34a_100000035544_200000210301 [0,1,0,0,0,0|1,0,2]=4 1012 B13R0.147 COCCCCCCCCC(=O)OC 34a_100138415774_100010282707 [0,1,0,0,0,0|1,0,2]=4 1013 B13R0.147 COCCCCCCCCC(=O)OC 7a_100000035544_200000210301 [0,1,0,0,0,0|1,0,2]=4 1014 B13R0.147 COCCCCCCOCC(=O)OC 34a_200012092642_100000747449 [0,1,0,0,0,0|2,0,1]=4 1015 B13R0.147 COCCCCCCOCC(=O)OC 7a_200012092642_100000747449 [0,1,0,0,0,0|2,0,1]=4 1016 B13R0.147 COCCCCCCSCC(=O)OC 62a_100000747449_100011998445 [0,1,0,0,0,0|2,0,1]=4 1017 B13R0.147 COCCCCCCSCC(=O)OC 62a_100011998445_100000747449 [0,1,0,0,0,0|2,0,1]=4 1018 B13R0.147 COCCCCOC/C=C/C(=O)OC 34a_100000740925_100000742655 [0,1,0,0,0,0|2,0,0]=3 1019 B13R0.147 COCCCCSC/C=C/C(=O)OC 62a_100000730899_100000742655 [0,1,0,0,0,0|2,0,0]=3 1020 B13R0.147 COCCCCSC/C=C/C(=O)OC 62a_100000742655_100000730899 [0,1,0,0,0,0|2,0,0]=3 1021 B13R0.147 COCCOCSC/C=C/C(=O)OC 62a_100000231047_100000742655 [0,1,0,0,0,0|3,0,0]=4 1022 B13R0.147 COCCOCSC/C=C/C(=O)OC 62a_100000742655_100000231047 [0,1,0,0,0,0|3,0,0]=4 1023 B13R0.147 O=C(CO)CCCCCCCCCO 1458a_100000210174_100009813782 [0,1,0,0,0,0|1,0,2]=4 1024 B13R0.147 O=C(CO)NCCCCCCCCO 240690a_102515433106_100000210174 [0,1,0,0,0,0|2,0,1]=4 1025 B13R0.150 C=C(Br)C(=O)NCCCCCCCC 11a_100000229939_100009813364 [0,1,0,0,0,0|3,0,0]=4 1026 B13R0.150 C=C(Br)C(=O)NCCCCCCCC 1626a_100000229939_100009813364 [0,1,0,0,0,0|3,0,0]=4 1027 B13R0.150 C=C(C)C(=O)CCCCCCCCC 1458a_100000185857_100000210670 [0,1,0,0,0,0|2,0,1]=4 1028 B13R0.150 C=C(C)C(=O)NCCCCCCCC 11a_100000229939_100000185857 [0,1,0,0,0,0|3,0,0]=4 1029 B13R0.150 C=C(C)C(=O)NCCCCCCCC 1626a_100000229939_100000185857 [0,1,0,0,0,0|3,0,0]=4 1030 B13R0.150 C=C(Cl)C(=O)NCCCCCCCC 11a_100000229939_100000039160 [0,1,0,0,0,0|3,0,0]=4 1031 B13R0.150 C=C(Cl)C(=O)NCCCCCCCC 1626a_100000229939_100000039160 [0,1,0,0,0,0|3,0,0]=4 1032 B13R0.150 C=C(F)C(=O)NCCCCCCCC 11a_100000229939_100000036797 [0,1,0,0,0,0|3,0,0]=4 1033 B13R0.150 C=C(F)C(=O)NCCCCCCCC 1626a_100000229939_100000036797 [0,1,0,0,0,0|3,0,0]=4 1034 B13R0.150 CCCCCCCCCC(=O)C(O)O 1458a_100000233687_100000210670 [0,1,0,0,0,0|0,0,3]=4 1035 B13R0.150 CCCCCCCCCC(=O)[C@@H](C)O 1458a_100000717761_100000210670 [0,1,0,0,0,0|1,0,2]=4 1036 B13R0.150 CCCCCCCCCC(=O)[C@H](C)O 1458a_217856618621_100000210670 [0,1,0,0,0,0|1,0,2]=4 1037 B13R0.150 CCCCCCCCCN(C)C(=O)C 11a_100000232482_100015343762 [0,1,0,0,0,0|2,0,1]=4 1038 B13R0.150 CCCCCCCCCN(C)C(=O)C 1626a_100000232482_100015343762 [0,1,0,0,0,0|2,0,1]=4 1039 B13R0.150 CCCCCCCCCN(C)C(=O)C 240690a_100000232482_100015343762 [0,1,0,0,0,0|2,0,1]=4 1040 B13R0.150 CCCCCCCCCN(C)C(=O)C 527a_100000232482_100103153847 [0,1,0,0,0,0|2,0,1]=4 1041 B13R0.150 CCCCCCCCNC(=O)C(=O)N 240690a_100000229939_100011215815 [0,1,0,0,0,0|2,0,0]=3 1042 B13R0.150 CCCCCCCCNC(=O)C(O)O 240690a_100000229939_100000233687 [0,1,0,0,0,0|1,0,2]=4 1043 B13R0.150 CCCCCCCCNC(=O)[C@@H](C)O 240690a_100000229939_100000717761 [0,1,0,0,0,0|2,0,1]=4 1044 B13R0.150 CCCCCCCCNC(=O)[C@H](C)O 1626a_100000229939_217856618621 [0,1,0,0,0,0|2,0,1]=4 1045 B13R0.150 CCCCCCCCNC(=O)[C@H](C)O 240690a_100000229939_217856618621 [0,1,0,0,0,0|2,0,1]=4 1046 B13R0.150 CCCCCCCCNC(C)C(=O)C 2230a_100000229939_100009814033 [0,1,0,0,0,0|2,0,1]=4 1047 B13R0.150 CCCCCCCCNC(C)C(=O)N 2230a_100000229939_100000702099 [0,1,0,0,0,0|2,0,1]=4 1048 B13R0.150 CCCCCCCCNC(C)C(=O)N 34a_100000229939_100000702099 [0,1,0,0,0,0|2,0,1]=4 1049 B13R0.150 CCCCCCCCNC(F)C(=O)N 2230a_100000229939_100009813875 [0,1,0,0,0,0|2,0,1]=4 1050 B13R0.150 CCCCCCCCNC(F)C(=O)N 34a_100000229939_100009813875 [0,1,0,0,0,0|2,0,1]=4 1051 B13R0.150 CCCCCCCCNC(F)C(=O)[O-] 34a_100000229939_100020610796 [0,1,0,0,0,0|1,0,2]=4 1052 B13R0.150 CCCCCCCCN[C@@H](C)C(=O)O 269956a_100000743915_100000210759 [0,1,0,0,0,0|1,0,1]=3 1053 B13R0.150 CCCCCCCCN[C@H](C)C(=O)N 2230a_100000119354_100000210759 [0,1,0,0,0,0|2,0,1]=4 1054 B13R0.150 CCCCCCCCN[C@H](C)C(=O)N 34a_100000119354_100000210759 [0,1,0,0,0,0|2,0,1]=4 1055 B13R0.150 CCCCCCCCOC(C)C(=O)C 34a_100000212229_100000210759 [0,1,0,0,0,0|2,0,1]=4 1056 B13R0.150 CCCCCCCCOC(C)C(=O)C 7a_100000210232_100000179758 [0,1,0,0,0,0|2,0,1]=4 1057 B13R0.150 CCCCCCCCOC(C)C(=O)N 34a_100000210232_100000702099 [0,1,0,0,0,0|2,0,1]=4 1058 B13R0.150 CCCCCCCCOC(C)C(=O)N 7a_100000210232_100000702099 [0,1,0,0,0,0|2,0,1]=4 1059 B13R0.150 CCCCCCCCOC(F)C(=O)N 34a_100000210232_100009813875 [0,1,0,0,0,0|2,0,1]=4 1060 B13R0.150 CCCCCCCCOC(F)C(=O)N 7a_100000210232_100009813875 [0,1,0,0,0,0|2,0,1]=4 1061 B13R0.150 CCCCCCCCOC(F)C(=O)[O-] 34a_100000210232_100020610796 [0,1,0,0,0,0|1,0,2]=4 1062 B13R0.150 CCCCCCCCO[C@@H](C)C(=O)[O-] 7a_217856618621_100000210759 [0,1,0,0,0,0|1,0,2]=4 1063 B13R0.150 CCCCCCCCO[C@H](C)C(=O)N 34a_100000731257_100000210759 [0,1,0,0,0,0|2,0,1]=4 1064 B13R0.150 CCCCCCCCO[C@H](C)C(=O)N 7a_100000731257_100000210759 [0,1,0,0,0,0|2,0,1]=4 1065 B13R0.150 CCCCCCCCSC(C)C(=O)C 62a_100000210759_100009814033 [0,1,0,0,0,0|2,0,1]=4 1066 B13R0.150 CCCCCCCCSC(C)C(=O)C 62a_100009814033_100000210317 [0,1,0,0,0,0|2,0,1]=4 1067 B13R0.150 CCCCCCCCSC(C)C(=O)N 62a_100000210759_100000702099 [0,1,0,0,0,0|2,0,1]=4 1068 B13R0.150 CCCCCCCCSC(C)C(=O)N 62a_100000702099_100000210317 [0,1,0,0,0,0|2,0,1]=4 1069 B13R0.150 CCCCCCCCSC(F)C(=O)N 62a_100000210759_100009813875 [0,1,0,0,0,0|2,0,1]=4 1070 B13R0.150 CCCCCCCCSC(F)C(=O)N 62a_100009813875_100000210317 [0,1,0,0,0,0|2,0,1]=4 1071 B13R0.150 CCCCCCCCSC(F)C(=O)[O-] 62a_100000210759_100020610796 [0,1,0,0,0,0|1,0,2]=4 1072 B13R0.150 CCCCCCCCSC(F)C(=O)[O-] 62a_100020610796_100000210317 [0,1,0,0,0,0|1,0,2]=4 1073 B13R0.150 CCCCCCCNCC(C)C(=O)O 269956a_100000749485_100000210614 [0,1,0,0,0,0|1,0,2]=4 1074 B13R0.150 CCCCCCCNCC(F)C(=O)O 269956a_100000084737_100000210614 [0,1,0,0,0,0|1,0,2]=4 1075 B13R0.150 CCCCCCCOCC(=O)C(=O)C 34a_100000210272_100011261029 [0,1,0,0,0,0|2,0,1]=4 1076 B13R0.150 CCCCCCCSCC(=O)C(=O)C 62a_100000210614_100011261029 [0,1,0,0,0,0|2,0,1]=4 1077 B13R0.150 CCCCCCCSCC(=O)C(=O)C 62a_100011261029_100000210316 [0,1,0,0,0,0|2,0,1]=4 1078 B13R0.150 CCCCOCCCNC(=O)C(=O)N 240690a_200000211371_100011215815 [0,1,0,0,0,0|3,0,0]=4 1079 B13R0.150 COCCCCCCN[C@@H](C)C(=O)O 269956a_100000743915_100011998445 [0,1,0,0,0,0|2,0,1]=4 1080 B13R0.150 C[C@H](NCCCCCCCO)C(=O)O 269956a_100000743915_100000760002 [0,1,0,0,0,0|2,0,1]=4 1081 B13R0.150 NC(=O)C(=O)NCCCCCCCO 240690a_100011996573_100011215815 [0,1,0,0,0,0|3,0,0]=4 1082 B13R0.154 CCCCCCCC(C)NCC(=O)N 2230a_100000711301_200011218727 [0,1,0,0,0,0|2,0,1]=4 1083 B13R0.154 CCCCCCCC(C)NCC(=O)O 269956a_100016091260_200011218727 [0,1,0,0,0,0|1,0,1]=3 1084 B13R0.154 CCCCCCCC(C)OCC(=O)C 34a_100000211253_200011218727 [0,1,0,0,0,0|2,0,1]=4 1085 B13R0.154 CCCCCCCC(C)OCC(=O)N 34a_200011215852_100000187820 [0,1,0,0,0,0|2,0,1]=4 1086 B13R0.154 CCCCCCCC(C)OCC(=O)N 7a_200011215852_100000187820 [0,1,0,0,0,0|2,0,1]=4 1087 B13R0.154 CCCCCCCC(C)OCC(=O)[O-] 34a_200011215852_100020667443 [0,1,0,0,0,0|1,0,2]=4 1088 B13R0.154 CCCCCCCC(C)SCC(=O)N 62a_100000747473_200011218727 [0,1,0,0,0,0|2,0,1]=4 1089 B13R0.154 CCCCCCCC(C)SCC(=O)N 62a_200011218727_100000747473 [0,1,0,0,0,0|2,0,1]=4 1090 B13R0.154 CCCCCCCC(C)SCC(=O)[O-] 62a_100020667443_200011218727 [0,1,0,0,0,0|1,0,2]=4 1091 B13R0.154 CCCCCCCC(C)SCC(=O)[O-] 62a_200011218727_100020667443 [0,1,0,0,0,0|1,0,2]=4 1092 B13R0.179 CC(Br)CCOCCC/C=C/B(O)O 34a_100009893172_200016261450 [0,1,0,0,0,0|2,0,1]=4 1093 B13R0.179 CC(C)CCCCCCNCC(=O)N 2230a_100000211014_100000747473 [0,1,0,0,0,0|2,0,1]=4 1094 B13R0.179 CC(C)CCCCCCNCC(=O)N 34a_100000211014_100000187820 [0,1,0,0,0,0|2,0,1]=4 1095 B13R0.179 CC(C)CCCCCCNCC(=O)[O-] 34a_100000211014_100020667443 [0,1,0,0,0,0|1,0,2]=4 1096 B13R0.179 CC(C)CCCCCNOCC(=O)O 269956a_100000106656_100000210682 [0,1,0,0,0,0|2,0,1]=4 1097 B13R0.179 CC(C)CCCCOC/C=C/B(O)O 34a_100011214890_100016262062 [0,1,0,0,0,0|2,0,1]=4 1098 B13R0.179 CC(C)CCCCOC/C=C/B(O)O 7a_100011214890_100016262062 [0,1,0,0,0,0|2,0,1]=4 1099 B13R0.179 CC(C)CCCCSC/C=C/B(O)O 62a_100011216152_100016262062 [0,1,0,0,0,0|2,0,1]=4 1100 B13R0.179 CC(C)CCCCSC/C=C/B(O)O 62a_100016262062_100011216152 [0,1,0,0,0,0|2,0,1]=4 1101 B13R0.179 CC(C)CCCNCCOCC(=O)O 269956a_100000700818_100011214892 [0,1,0,0,0,0|2,0,1]=4 1102 B13R0.179 CC(C)CCOCCC/C=C/B(O)O 34a_100000210254_200016261450 [0,1,0,0,0,0|2,0,1]=4 1103 B13R0.179 CC(C)CCOCCC/C=C/B(O)O 7a_100000210254_200016261450 [0,1,0,0,0,0|2,0,1]=4 1104 B13R0.179 CC(C)CCSCCC/C=C/B(O)O 62a_100000210312_200016261450 [0,1,0,0,0,0|2,0,1]=4 1105 B13R0.179 CC(C)CCSCCC/C=C/B(O)O 62a_200016261450_100000210312 [0,1,0,0,0,0|2,0,1]=4 1106 B13R0.179 CC(O)CCCNCCOCC(=O)O 269956a_100000700818_200000718107 [0,1,0,0,0,0|2,0,1]=4 1107 B13R0.179 CC(O)CCNCCC/C=C/B(O)O 2230a_200000755665_200016261450 [0,1,0,0,0,0|2,0,1]=4 1108 B13R0.179 CC(O)CCSCCC/C=C/B(O)O 62a_100012276601_200016261450 [0,1,0,0,0,0|2,0,1]=4 1109 B13R0.179 CC(O)CCSCCC/C=C/B(O)O 62a_200016261450_100012276601 [0,1,0,0,0,0|2,0,1]=4 1110 B13R0.179 C[C@@H](N)CCOCCC/C=C/B(O)O 34a_100000706166_200016261450 [0,1,0,0,0,0|2,0,1]=4 1111 B13R0.188 CCCCCC(C)NC/C=C/B(O)O 2230a_100000211957_100016262062 [0,1,0,0,0,0|2,0,1]=4 1112 B13R0.188 CCCCCC(C)OC/C=C/B(O)O 34a_100011215632_100016262062 [0,1,0,0,0,0|2,0,1]=4 1113 B13R0.188 CCCCCC(C)OC/C=C/B(O)O 7a_100011215632_100016262062 [0,1,0,0,0,0|2,0,1]=4 1114 B13R0.188 CCCCCC(C)SC/C=C/B(O)O 62a_100016262062_200011218191 [0,1,0,0,0,0|2,0,1]=4 1115 B13R0.188 CCCCCC(C)SC/C=C/B(O)O 62a_200011218191_100016262062 [0,1,0,0,0,0|2,0,1]=4 1116 B13R0.202 CCC(C)CCCCCOCC(=O)N 7a_200000035636_100000187820 [0,1,0,0,0,0|2,0,1]=4 1117 B13R0.202 CCC(C)CCCOC/C=C/B(O)O 7a_100011216074_100016262062 [0,1,0,0,0,0|2,0,1]=4 1118 B13R0.202 CCC(C)CNCCC/C=C/B(O)O 2230a_100020588543_200016261450 [0,1,0,0,0,0|2,0,1]=4 1119 B13R0.202 CCC(C)CSCCC/C=C/B(O)O 62a_100000748023_200016261450 [0,1,0,0,0,0|2,0,1]=4 1120 B13R0.202 CCC(C)CSCCC/C=C/B(O)O 62a_200016261450_100000748023 [0,1,0,0,0,0|2,0,1]=4 1121 B13R0.202 CCC(O)CNCCC/C=C/B(O)O 2230a_100011218483_200016261450 [0,1,0,0,0,0|2,0,1]=4 1122 B13R0.202 CCC(O)CSCCC/C=C/B(O)O 62a_100011218378_200016261450 [0,1,0,0,0,0|2,0,1]=4 1123 B13R0.202 CCC(O)CSCCC/C=C/B(O)O 62a_200016261450_100011218378 [0,1,0,0,0,0|2,0,1]=4 1124 B13R0.202 CC[C@H](C)COCCC/C=C/B(O)O 7a_100009816381_200016261450 [0,1,0,0,0,0|2,0,1]=4 1125 B13R0.202 CC[C@H](C)CSCCC/C=C/B(O)O 62a_100009816398_200016261450 [0,1,0,0,0,0|2,0,1]=4 1126 B13R0.202 CC[C@H](C)CSCCC/C=C/B(O)O 62a_200016261450_100009816398 [0,1,0,0,0,0|2,0,1]=4 1127 B13R0.335 C=C(C)CC(=O)CCCCCCCC 1458a_100000210188_100000748629 [0,1,0,0,0,0|2,0,1]=4 1128 B13R0.335 C=C(F)CC(=O)CCCCCCCC 1458a_100000210188_100009893438 [0,1,0,0,0,0|2,0,1]=4 1129 B13R0.335 CC(=CC(=O)CCCCCCCO)C 1458a_100000211388_100000760002 [0,1,0,0,0,0|3,0,0]=4 1130 B13R0.335 CC(=CC(=O)CCCCCCCO)Cl 1458a_200042562850_100000760002 [0,1,0,0,0,0|3,0,0]=4 1131 B13R0.335 CC(=CC(=O)CCCCCCCO)I 1458a_100025716642_100000760002 [0,1,0,0,0,0|3,0,0]=4 1132 B13R0.335 CCCCCCCCC(=O)C=C(C)C 1458a_100000211388_100000210759 [0,1,0,0,0,0|2,0,0]=3 1133 B13R0.335 CCCCCCCCC(=O)C=C(C)Cl 1458a_200042562850_100000210759 [0,1,0,0,0,0|2,0,0]=3 1134 B13R0.335 CCCCCCCCC(=O)C=C(C)I 1458a_100025716642_100000210759 [0,1,0,0,0,0|2,0,0]=3 1135 B13R0.335 CCCCCCCCC(=O)C=C(Cl)Cl 1458a_100000137448_100000210759 [0,1,0,0,0,0|2,0,0]=3 1136 B13R0.335 CCCCCCCCC(=O)CC(=O)N 1458a_100000210188_100000187820 [0,1,0,0,0,0|1,0,1]=3 1137 B13R0.335 CCCCCCCCC(=O)CC(=O)N 1458a_100134613110_100000210759 [0,1,0,0,0,0|1,0,1]=3 1138 B13R0.335 CCCCCCCCC(=O)CC(=O)[O-] 1458a_100000210188_100020667443 [0,1,0,0,0,0|0,0,2]=3 1139 B13R0.335 CCCCCCCCC(=O)CC(C)O 1458a_100000210188_100011218427 [0,1,0,0,0,0|1,0,2]=4 1140 B13R0.335 CCCCCCCCC(=O)C[C@@H](C)O 1458a_100011933948_100000210759 [0,1,0,0,0,0|1,0,2]=4 1141 B13R0.335 CCCCCCCCC(=O)C[N+](=O)[O-] 1458a_100000210188_100000761209 [0,1,0,0,0,0|1,0,2]=4 1142 B13R0.335 CCCCCCCCN(C)CC(=O)N 2230a_100000207567_100000747473 [0,1,0,0,0,0|2,0,1]=4 1143 B13R0.335 CCCCCCCCN(C)CC(=O)N 2230a_100000739694_100000210759 [0,1,0,0,0,0|2,0,1]=4 1144 B13R0.335 CCCCCCCCN(C)CC(=O)N 269982a_100000207567_100000187820 [0,1,0,0,0,0|2,0,1]=4 1145 B13R0.335 CCCCCCCCN(C)CC(=O)O 269956a_100000746989_100000210759 [0,1,0,0,0,0|1,0,1]=3 1146 B13R0.335 CCCCCCCCN(C)CC(=O)[O-] 269982a_100000207567_100020667443 [0,1,0,0,0,0|1,0,2]=4 1147 B13R0.335 CCCCCCCNC(=O)C=C(C)C 11a_100000229938_100000211388 [0,1,0,0,0,0|3,0,0]=4 1148 B13R0.335 CCCCCCCNC(=O)C=C(C)C 1626a_100000229938_100000211388 [0,1,0,0,0,0|3,0,0]=4 1149 B13R0.335 CCCCCCCNC(=O)C=C(C)C 240690a_100000229938_100000211388 [0,1,0,0,0,0|3,0,0]=4 1150 B13R0.335 CCCCCCCNC(=O)C=C(C)Cl 11a_100000229938_200042562850 [0,1,0,0,0,0|3,0,0]=4 1151 B13R0.335 CCCCCCCNC(=O)C=C(C)Cl 1626a_100000229938_200042562850 [0,1,0,0,0,0|3,0,0]=4 1152 B13R0.335 CCCCCCCNC(=O)C=C(C)Cl 240690a_100000229938_200042562850 [0,1,0,0,0,0|3,0,0]=4 1153 B13R0.335 CCCCCCCNC(=O)C=C(C)I 11a_100000229938_100025716642 [0,1,0,0,0,0|3,0,0]=4 1154 B13R0.335 CCCCCCCNC(=O)C=C(C)I 1626a_100000229938_100025716642 [0,1,0,0,0,0|3,0,0]=4 1155 B13R0.335 CCCCCCCNC(=O)C=C(Cl)Cl 1626a_100000229938_100000137448 [0,1,0,0,0,0|3,0,0]=4 1156 B13R0.335 CCCCCCCNC(=O)C=C(Cl)Cl 240690a_100000229938_100000137448 [0,1,0,0,0,0|3,0,0]=4 1157 B13R0.335 CCCCCCCNC(=O)CC(=O)N 240690a_100000229938_100134613110 [0,1,0,0,0,0|2,0,1]=4 1158 B13R0.335 CCCCCCCNC(=O)CC(=O)N 527a_100000229938_100134613110 [0,1,0,0,0,0|2,0,1]=4 1159 B13R0.335 CCCCCCNCC(=O)NC(=O)N 2230a_100000210581_100000182717 [0,1,0,0,0,0|3,0,0]=4 1160 B13R0.335 CCCCCCNCC(O)CC(=O)O 269956a_100011218706_100000210757 [0,1,0,0,0,0|1,0,2]=4 1161 B13R0.335 CCCCCCOCC(=O)NC(=O)C 7a_100000210259_100000183797 [0,1,0,0,0,0|3,0,0]=4 1162 B13R0.335 CCCCCCOCC(=O)NC(=O)N 7a_100000210259_100000182717 [0,1,0,0,0,0|3,0,0]=4 1163 B13R0.335 CCCCCCSCC(=O)NC(=O)C 62a_100000210314_100000183797 [0,1,0,0,0,0|3,0,0]=4 1164 B13R0.335 CCCCCCSCC(=O)NC(=O)N 62a_100000210314_100000182717 [0,1,0,0,0,0|3,0,0]=4 1165 B13R0.335 CCCCCNCCC(=O)NC(=O)N 2230a_100000209983_100000237605 [0,1,0,0,0,0|3,0,0]=4 1166 B13R0.335 CCCCCOCCC(=O)NC(=O)N 7a_100000210253_100000237605 [0,1,0,0,0,0|3,0,0]=4 1167 B13R0.335 CCCCCSCCC(=O)NC(=O)N 62a_100000210326_100000237605 [0,1,0,0,0,0|3,0,0]=4 1168 B13R0.335 CN(CCCCCCCO)CC(=O)O 269956a_100000746989_100000760002 [0,1,0,0,0,0|2,0,1]=4 1169 B13R0.335 COCCCCCCC(=O)C=C(C)C 1458a_100000211388_100011998445 [0,1,0,0,0,0|3,0,0]=4 1170 B13R0.335 COCCCCCCC(=O)C=C(C)Cl 1458a_200042562850_100011998445 [0,1,0,0,0,0|3,0,0]=4 1171 B13R0.335 COCCCCCCC(=O)C=C(C)I 1458a_100025716642_100011998445 [0,1,0,0,0,0|3,0,0]=4 1172 B13R0.335 COCCCCCCC(=O)C=C(Cl)Cl 1458a_100000137448_100011998445 [0,1,0,0,0,0|3,0,0]=4 1173 B13R0.335 COCCCCCCC(=O)CC(=O)N 1458a_100134613110_100011998445 [0,1,0,0,0,0|2,0,1]=4 1174 B13R0.335 COCCCCCCN(C)CC(=O)O 269956a_100000746989_100011998445 [0,1,0,0,0,0|2,0,1]=4 1175 B13R0.335 NC(=O)CC(=O)CCCCCCCO 1458a_100011219782_100000187820 [0,1,0,0,0,0|2,0,1]=4 1176 B13R0.335 NC(=O)CC(=O)CCCCCCCO 1458a_100134613110_100000760002 [0,1,0,0,0,0|2,0,1]=4 1177 B13R0.335 O=C(C=C(Cl)Cl)CCCCCCCO 1458a_100000137448_100000760002 [0,1,0,0,0,0|3,0,0]=4 1178 B13R0.335 O=C([O-])CC(=O)CCCCCCCO 1458a_100011219782_100020667443 [0,1,0,0,0,0|1,0,2]=4 1179 B13R1.6 CCCCCCc1cccc(c1)O 271570a_203496583355_100009816010 [0,0,0,1,0,0|1,0,2]=4 1180 B13R1.27 CCCCCCOC1COC(=O)O1 34a_100000210259_100000032252 [0,0,0,1,0,0|2,0,1]=4 1181 B13R1.27 CCCCCCSC1COC(=O)O1 62a_100000210314_100000032252 [0,0,0,1,0,0|2,0,1]=4 1182 B13R1.27 CCCCCNCC1CNC(=O)O1 2230a_100000209983_100000181169 [0,0,0,1,0,0|2,0,1]=4 1183 B13R1.27 CCCCCNCc1ccc(o1)Br 207a_100000209983_100000185145 [0,0,0,1,0,0|2,0,1]=4 1184 B13R1.27 CCCCCNCc1ccc(o1)Br 270004a_100000209983_100000185145 [0,0,0,1,0,0|2,0,1]=4 1185 B13R1.27 CCCCCNCc1ccc(o1)Br 34a_100000708654_100000718602 [0,0,0,1,0,0|2,0,1]=4 1186 B13R1.27 CCCCCNCc1ccc(o1)C 207a_100000209983_100000183696 [0,0,0,1,0,0|2,0,1]=4 1187 B13R1.27 CCCCCNCc1ccc(o1)C 270004a_100000209983_100000183696 [0,0,0,1,0,0|2,0,1]=4 1188 B13R1.27 CCCCCNCc1ccc(o1)C 34a_100011194323_100000718602 [0,0,0,1,0,0|2,0,1]=4 1189 B13R1.27 CCCCCNCc1ccc(o1)Cl 207a_100000209983_100000188459 [0,0,0,1,0,0|2,0,1]=4 1190 B13R1.27 CCCCCNCc1ccc(o1)Cl 270004a_100000209983_100000188459 [0,0,0,1,0,0|2,0,1]=4 1191 B13R1.27 CCCCCNCc1ccc(o1)I 207a_100000209983_100000186757 [0,0,0,1,0,0|2,0,1]=4 1192 B13R1.27 CCCCCOCC1CNC(=O)O1 34a_100000210253_100000181169 [0,0,0,1,0,0|2,0,1]=4 1193 B13R1.27 CCCCCOCC1CNC(=O)O1 34a_100011315639_100000718602 [0,0,0,1,0,0|2,0,1]=4 1194 B13R1.27 CCCCCOCC1CNC(=O)O1 7a_100000210253_100000181169 [0,0,0,1,0,0|2,0,1]=4 1195 B13R1.27 CCCCCOCC1COC(=O)O1 34a_100000210253_100000073702 [0,0,0,1,0,0|2,0,1]=4 1196 B13R1.27 CCCCCOCc1ccc(o1)Br 34a_100000246276_100000718602 [0,0,0,1,0,0|2,0,1]=4 1197 B13R1.27 CCCCCOCc1ccc(o1)Br 7a_100000246276_100000210326 [0,0,0,1,0,0|2,0,1]=4 1198 B13R1.27 CCCCCOCc1ccc(o1)C 34a_100011232665_100000718602 [0,0,0,1,0,0|2,0,1]=4 1199 B13R1.27 CCCCCOCc1ccc(o1)C 7a_100011232665_100000210326 [0,0,0,1,0,0|2,0,1]=4 1200 B13R1.27 CCCCCSCC1CNC(=O)O1 62a_100000181169_100000210326 [0,0,0,1,0,0|2,0,1]=4 1201 B13R1.27 CCCCCSCC1CNC(=O)O1 62a_100000210326_100000181169 [0,0,0,1,0,0|2,0,1]=4 1202 B13R1.27 CCCCCSCC1COC(=O)O1 62a_100000073702_100000210326 [0,0,0,1,0,0|2,0,1]=4 1203 B13R1.27 CCCCCSCC1COC(=O)O1 62a_100000210326_100000073702 [0,0,0,1,0,0|2,0,1]=4 1204 B13R1.27 CCCCNCCc1ccc(o1)C 2230a_100000739271_100000210211 [0,0,0,1,0,0|2,0,1]=4 1205 B13R1.27 CCCCNCCc1ccc(o1)C 34a_100000739271_100000210210 [0,0,0,1,0,0|2,0,1]=4 1206 B13R1.27 CCCCOCCc1ccc(o1)C 34a_100012161071_100000210210 [0,0,0,1,0,0|2,0,1]=4 1207 B13R1.27 CCCCOCCc1ccc(o1)C 7a_100012161071_100000210211 [0,0,0,1,0,0|2,0,1]=4 1208 B13R1.90 CCC1CCCCC1OCC(=O)N 34a_100000210738_100000187820 [0,0,0,1,0,0|2,0,1]=4 1209 B13R1.90 CCC1CCCCC1OCC(=O)N 7a_100000210738_100000187820 [0,0,0,1,0,0|2,0,1]=4 1210 B13R1.90 CCC1CCCCC1OCC(=O)[O-] 34a_100000210738_100020667443 [0,0,0,1,0,0|1,0,2]=4 1211 B13R1.90 CCN1CCCCC1CCC(=O)O 269956a_100000694054_100000210202 [0,0,0,1,0,0|1,0,2]=4 1212 B13R1.103 CCC1CCCN1C/C=C/B(O)O 2230a_100000754278_100016262062 [0,0,0,1,0,0|2,0,1]=4 1213 B13R1.103 CCC1CCCN1C/C=C/B(O)O 269982a_100000754278_100016262062 [0,0,0,1,0,0|2,0,1]=4 1214 B13R1.103 CCC1CCCN1C/C=C/B(O)O 34a_100000754278_100016262062 [0,0,0,1,0,0|2,0,1]=4 1215 B13R1.158 CC1CCCCN1C/C=C/B(O)O 2230a_100000211376_100016262062 [0,0,0,1,0,0|2,0,1]=4 1216 B13R1.158 CC1CCCCN1C/C=C/B(O)O 269982a_100000211376_100016262062 [0,0,0,1,0,0|2,0,1]=4 1217 B13R1.158 CC1CCCCN1C/C=C/B(O)O 34a_100000211376_100016262062 [0,0,0,1,0,0|2,0,1]=4 1218 B13R1.158 CN1CCCCC1CNCC(=O)O 269956a_100016091260_100015185383 [0,0,0,1,0,0|2,0,1]=4 1219 B13R1.167 CC1CCCC1OC/C=C/B(O)O 34a_100011216460_100016262062 [0,0,0,1,0,0|2,0,1]=4 1220 B13R1.167 CC1CCCC1OC/C=C/B(O)O 7a_100011216460_100016262062 [0,0,0,1,0,0|2,0,1]=4 1221 B13R1.167 CN1CCCC1CCNCC(=O)O 269956a_100016091260_100000005710 [0,0,0,1,0,0|2,0,1]=4 1222 B13R1.224 CCCN1CCCCCC1C(=O)O 269956a_100000758484_100000210207 [0,0,0,1,0,0|1,0,2]=4 1223 B13R1.297 CC1CCN1CCC/C=C/B(O)O 269982a_100000755817_200016261450 [0,0,0,1,0,0|2,0,1]=4 1224 B13R1.297 CC1CCN1CCC/C=C/B(O)O 34a_100000755817_200016261450 [0,0,0,1,0,0|2,0,1]=4 1225 B13R1.337 CC(=O)CCCCC1CCCCC1 1458a_200011215547_200000210301 [0,0,0,1,0,0|1,0,2]=4 1226 B13R1.337 CC(=O)COCCC1CCCCC1 34a_100000211253_100011209188 [0,0,0,1,0,0|2,0,1]=4 1227 B13R1.337 CC(=O)NCCCC1CCCCC1 11a_100011211642_100015343762 [0,0,0,1,0,0|2,0,1]=4 1228 B13R1.337 CC(=O)NCCCC1CCCCC1 1626a_100011211642_100015343762 [0,0,0,1,0,0|2,0,1]=4 1229 B13R1.337 CC(=O)NCCCC1CCCCC1 240690a_100011211642_100015343762 [0,0,0,1,0,0|2,0,1]=4 1230 B13R1.337 CC(=O)NCCCC1CCCCC1 527a_100011211642_100103153847 [0,0,0,1,0,0|2,0,1]=4 1231 B13R1.337 NC(=O)CNCCC1CCCCC1 2230a_100000711301_100012355289 [0,0,0,1,0,0|2,0,1]=4 1232 B13R1.337 NC(=O)CNCCC1CCCCC1 2230a_100000738074_100000747473 [0,0,0,1,0,0|2,0,1]=4 1233 B13R1.337 NC(=O)CNCCC1CCCCC1 34a_100000738074_100000187820 [0,0,0,1,0,0|2,0,1]=4 1234 B13R1.337 NC(=O)COCCC1CCCCC1 34a_100011217863_100000187820 [0,0,0,1,0,0|2,0,1]=4 1235 B13R1.337 NC(=O)COCCC1CCCCC1 7a_100011217863_100000187820 [0,0,0,1,0,0|2,0,1]=4 1236 B13R1.337 NC(=O)CSCCC1CCCCC1 62a_100000747473_100012355289 [0,0,0,1,0,0|2,0,1]=4 1237 B13R1.337 NC(=O)CSCCC1CCCCC1 62a_100012355289_100000747473 [0,0,0,1,0,0|2,0,1]=4 1238 B13R1.337 O=C(O)CNCCC1CCCCC1 269956a_100016091260_100011273959 [0,0,0,1,0,0|1,0,1]=3 1239 B13R1.337 O=C(O)CNCCC1CCOCC1 269956a_100016091260_100011934994 [0,0,0,1,0,0|2,0,1]=4 1240 B13R1.337 O=C(O)CNCCN1CCCCC1 269956a_100016091260_100000739454 [0,0,0,1,0,0|2,0,1]=4 1241 B13R1.337 O=C(O)CNCOC1CCCCC1 269956a_100016091260_100011935260 [0,0,0,1,0,0|2,0,1]=4 1242 B13R1.337 O=C(O)CONCC1CCCCC1 269956a_100000106656_100000211423 [0,0,0,1,0,0|2,0,1]=4 1243 B13R1.337 O=C([O-])CNCCC1CCCCC1 34a_100000738074_100020667443 [0,0,0,1,0,0|1,0,2]=4 1244 B13R1.337 O=C([O-])COCCC1CCCCC1 34a_100011217863_100020667443 [0,0,0,1,0,0|1,0,2]=4 1245 B13R1.337 O=C([O-])CSCCC1CCCCC1 62a_100012355289_100020667443 [0,0,0,1,0,0|1,0,2]=4 1246 B13R1.337 O=C([O-])CSCCC1CCCCC1 62a_100020667443_100012355289 [0,0,0,1,0,0|1,0,2]=4 1247 B13R1.337 OB(O)/C=C/CNC1CCCCC1 2230a_100000182618_100016262062 [0,0,0,1,0,0|2,0,1]=4 1248 B13R1.337 OB(O)/C=C/CNC1CCCCC1 34a_100000182618_100016262062 [0,0,0,1,0,0|2,0,1]=4 1249 B13R1.337 OB(O)/C=C/COC1CCCCC1 34a_100000210231_100016262062 [0,0,0,1,0,0|2,0,1]=4 1250 B13R1.337 OB(O)/C=C/COC1CCCCC1 7a_100000210231_100016262062 [0,0,0,1,0,0|2,0,1]=4 1251 B13R1.337 OB(O)/C=C/CSC1CCCCC1 62a_100000210327_100016262062 [0,0,0,1,0,0|2,0,1]=4 1252 B13R1.337 OB(O)/C=C/CSC1CCCCC1 62a_100016262062_100000210327 [0,0,0,1,0,0|2,0,1]=4 1253 B13R1.337 [13CH3]C(=O)CCCCC1CCCCC1 1458a_200011215547_200025704644 [0,0,0,1,0,0|1,0,2]=4 1254 B13R1.343 CC(=O)COCCCC1CCCC1 34a_100000211253_100011713738 [0,0,0,1,0,0|2,0,1]=4 1255 B13R1.343 NC(=O)CNCCCC1CCCC1 2230a_100000711301_100011713738 [0,0,0,1,0,0|2,0,1]=4 1256 B13R1.343 NC(=O)CNCCCC1CCCC1 2230a_100000736752_100000747473 [0,0,0,1,0,0|2,0,1]=4 1257 B13R1.343 NC(=O)CNCCCC1CCCC1 34a_100000736752_100000187820 [0,0,0,1,0,0|2,0,1]=4 1258 B13R1.343 NC(=O)COCCCC1CCCC1 34a_100011215328_100000187820 [0,0,0,1,0,0|2,0,1]=4 1259 B13R1.343 NC(=O)COCCCC1CCCC1 7a_100011215328_100000187820 [0,0,0,1,0,0|2,0,1]=4 1260 B13R1.343 NC(=O)CSCCCC1CCCC1 62a_100000747473_100011713738 [0,0,0,1,0,0|2,0,1]=4 1261 B13R1.343 NC(=O)CSCCCC1CCCC1 62a_100011713738_100000747473 [0,0,0,1,0,0|2,0,1]=4 1262 B13R1.343 O=C(O)CNCCCC1CCCC1 269956a_100016091260_100011713738 [0,0,0,1,0,0|1,0,1]=3 1263 B13R1.343 O=C(O)CNCCCN1CCCC1 269956a_100016091260_100011445909 [0,0,0,1,0,0|2,0,1]=4 1264 B13R1.343 O=C(O)COCCNC1CCCC1 269956a_100000700818_100000179811 [0,0,0,1,0,0|2,0,1]=4 1265 B13R1.343 O=C(O)CONCCC1CCCC1 269956a_100000106656_100000760354 [0,0,0,1,0,0|2,0,1]=4 1266 B13R1.343 O=C([O-])CNCCCC1CCCC1 34a_100000736752_100020667443 [0,0,0,1,0,0|1,0,2]=4 1267 B13R1.343 O=C([O-])COCCCC1CCCC1 34a_100011215328_100020667443 [0,0,0,1,0,0|1,0,2]=4 1268 B13R1.343 O=C([O-])CSCCCC1CCCC1 62a_100011713738_100020667443 [0,0,0,1,0,0|1,0,2]=4 1269 B13R1.343 O=C([O-])CSCCCC1CCCC1 62a_100020667443_100011713738 [0,0,0,1,0,0|1,0,2]=4 1270 B13R1.343 OB(O)/C=C/CCCN1CCCC1 2230a_100000188435_200016261450 [0,0,0,1,0,0|2,0,1]=4 1271 B13R1.343 OB(O)/C=C/CCCN1CCCC1 269982a_100000188435_200016261450 [0,0,0,1,0,0|2,0,1]=4 1272 B13R1.343 OB(O)/C=C/CNCC1CCCC1 2230a_100000737975_100016262062 [0,0,0,1,0,0|2,0,1]=4 1273 B13R1.343 OB(O)/C=C/CNCC1CCCC1 34a_100000737975_100016262062 [0,0,0,1,0,0|2,0,1]=4 1274 B13R1.343 OB(O)/C=C/COCC1CCCC1 34a_100000742336_100016262062 [0,0,0,1,0,0|2,0,1]=4 1275 B13R1.343 OB(O)/C=C/COCC1CCCC1 7a_100000742336_100016262062 [0,0,0,1,0,0|2,0,1]=4 1276 B13R1.343 OB(O)/C=C/CSCC1CCCC1 62a_100000740388_100016262062 [0,0,0,1,0,0|2,0,1]=4 1277 B13R1.343 OB(O)/C=C/CSCC1CCCC1 62a_100016262062_100000740388 [0,0,0,1,0,0|2,0,1]=4 1278 B13R1.380 CCCC1CCCCN1CC(=O)N 2230a_100000701414_100000747473 [0,0,0,1,0,0|2,0,1]=4 1279 B13R1.380 CCCC1CCCCN1CC(=O)N 269982a_100000701414_100000187820 [0,0,0,1,0,0|2,0,1]=4 1280 B13R1.380 CCCC1CCCCN1CC(=O)N 34a_100000701414_100000187820 [0,0,0,1,0,0|2,0,1]=4 1281 B13R1.380 CCCC1CCCCN1CC(=O)[O-] 269982a_100000701414_100020667443 [0,0,0,1,0,0|1,0,2]=4 1282 B13R1.380 CCCC1CCCCN1CC(=O)[O-] 34a_100000701414_100020667443 [0,0,0,1,0,0|1,0,2]=4 1283 B13R1.572 CCCCN1CCCC[C@@H]1C(=O)O 269956a_100000763471_100000210211 [0,0,0,1,0,0|1,0,2]=4 1284 B13R1.572 CCCN[C@@H]1CCCC[C@H]1C(=O)O 269956a_100009816435_100000210207 [0,0,0,1,0,0|1,0,2]=4 1285 B13R1.586 O=C(O)COCCNCC1CCC1 269956a_100000700818_100000763275 [0,0,0,1,0,0|2,0,1]=4 1286 B13R1.586 OB(O)/C=C/CCCNC1CCC1 2230a_100000749019_200016261450 [0,0,0,1,0,0|2,0,1]=4 1287 B13R1.586 OB(O)/C=C/CCCNC1CCC1 34a_100000749019_200016261450 [0,0,0,1,0,0|2,0,1]=4 1288 B13R1.586 OB(O)/C=C/CCCOC1CCC1 34a_100000748187_200016261450 [0,0,0,1,0,0|2,0,1]=4 1289 B13R1.586 OB(O)/C=C/CCCSC1CCC1 62a_200016261450_100000749161 [0,0,0,1,0,0|2,0,1]=4 1290 B13R1.614 CN[C@@H]1CCCCCC[C@@H]1C(=O)O 269956a_200049070474_200000210301 [0,0,0,1,0,0|1,0,2]=4 1291 B13R1.614 [13CH3]N[C@@H]1CCCCCC[C@@H]1C(=O)O 269956a_200049070474_200025704644 [0,0,0,1,0,0|1,0,2]=4 1292 B13R1.670 CCCCCN1CC=C[C@H]1C(=O)O 269956a_100000057196_100000210326 [0,0,0,1,0,0|1,0,2]=4 1293 B13R1.670 CCCCCN1CCC[C@H]1C(=O)O 269956a_100000743916_100000210326 [0,0,0,1,0,0|1,0,2]=4 1294 B13R1.670 CCCCCN1CCSC1C(=O)O 269956a_100000035718_100000210326 [0,0,0,1,0,0|2,0,1]=4 1295 B13R1.1022 NC(=O)CNC1CCCCCCC1 2230a_100000211152_100000747473 [0,0,0,1,0,0|2,0,1]=4 1296 B13R1.1022 NC(=O)CNC1CCCCCCC1 34a_100000211152_100000187820 [0,0,0,1,0,0|2,0,1]=4 1297 B13R1.1022 NC(=O)COC1CCCCCCC1 34a_100000210054_100000187820 [0,0,0,1,0,0|2,0,1]=4 1298 B13R1.1022 NC(=O)COC1CCCCCCC1 7a_100000210054_100000187820 [0,0,0,1,0,0|2,0,1]=4 1299 B13R1.1022 O=C([O-])CNC1CCCCCCC1 34a_100000211152_100020667443 [0,0,0,1,0,0|1,0,2]=4 1300 B13R1.1022 O=C([O-])COC1CCCCCCC1 34a_100000210054_100020667443 [0,0,0,1,0,0|1,0,2]=4 1301 B13R1.1052 O=C(O)COCCNCCC1CC1 269956a_100000700818_100000694398 [0,0,0,1,0,0|2,0,1]=4 1302 B13R1.1052 OB(O)/C=C/CCCNCC1CC1 2230a_100000735609_200016261450 [0,0,0,1,0,0|2,0,1]=4 1303 B13R1.1052 OB(O)/C=C/CCCNCC1CC1 34a_100000735609_200016261450 [0,0,0,1,0,0|2,0,1]=4 1304 B13R1.1052 OB(O)/C=C/CCCOCC1CC1 34a_100000211283_200016261450 [0,0,0,1,0,0|2,0,1]=4 1305 B13R1.1052 OB(O)/C=C/CCCSCC1CC1 62a_100000756562_200016261450 [0,0,0,1,0,0|2,0,1]=4 1306 B13R1.1052 OB(O)/C=C/CCCSCC1CC1 62a_200016261450_100000742324 [0,0,0,1,0,0|2,0,1]=4 1307 B13R1.1107 NC(=O)CN1CCCCCCCC1 2230a_100000039187_100000747473 [0,0,0,1,0,0|2,0,1]=4 1308 B13R1.1107 NC(=O)CN1CCCCCCCC1 269982a_100000039187_100000187820 [0,0,0,1,0,0|2,0,1]=4 1309 B13R1.1107 NC(=O)CN1CCCCCCCC1 34a_100000039187_100000187820 [0,0,0,1,0,0|2,0,1]=4 1310 B13R1.1107 O=C([O-])CN1CCCCCCCC1 269982a_100000039187_100020667443 [0,0,0,1,0,0|1,0,2]=4 1311 B13R1.1107 O=C([O-])CN1CCCCCCCC1 34a_100000039187_100020667443 [0,0,0,1,0,0|1,0,2]=4 1312 B13R1.1988 CC(=O)COCC1CCCCCC1 34a_100000211253_200000696569 [0,0,0,1,0,0|2,0,1]=4 1313 B13R1.1988 CC(=O)NCCC1CCCCCC1 11a_100011532351_100015343762 [0,0,0,1,0,0|2,0,1]=4 1314 B13R1.1988 CC(=O)NCCC1CCCCCC1 1626a_100011532351_100015343762 [0,0,0,1,0,0|2,0,1]=4 1315 B13R1.1988 CC(=O)NCCC1CCCCCC1 240690a_100011532351_100015343762 [0,0,0,1,0,0|2,0,1]=4 1316 B13R1.1988 CC(=O)NCCC1CCCCCC1 527a_100011532351_100103153847 [0,0,0,1,0,0|2,0,1]=4 1317 B13R1.1988 NC(=O)CNCC1CCCCCC1 2230a_100000711301_200000696569 [0,0,0,1,0,0|2,0,1]=4 1318 B13R1.1988 NC(=O)CNCC1CCCCCC1 2230a_100015204231_100000747473 [0,0,0,1,0,0|2,0,1]=4 1319 B13R1.1988 NC(=O)CNCC1CCCCCC1 34a_100015204231_100000187820 [0,0,0,1,0,0|2,0,1]=4 1320 B13R1.1988 NC(=O)COCC1CCCCCC1 34a_100000699130_100000187820 [0,0,0,1,0,0|2,0,1]=4 1321 B13R1.1988 NC(=O)COCC1CCCCCC1 7a_100000699130_100000187820 [0,0,0,1,0,0|2,0,1]=4 1322 B13R1.1988 NC(=O)CSCC1CCCCCC1 62a_100000747473_200000696569 [0,0,0,1,0,0|2,0,1]=4 1323 B13R1.1988 NC(=O)CSCC1CCCCCC1 62a_200000696569_100000747473 [0,0,0,1,0,0|2,0,1]=4 1324 B13R1.1988 O=C(O)CNCC1CCCCCC1 269956a_100016091260_200000696569 [0,0,0,1,0,0|1,0,1]=3 1325 B13R1.1988 O=C(O)CONC1CCCCCC1 269956a_100000106656_100011217769 [0,0,0,1,0,0|2,0,1]=4 1326 B13R1.1988 O=C([O-])CNCC1CCCCCC1 34a_100015204231_100020667443 [0,0,0,1,0,0|1,0,2]=4 1327 B13R1.1988 O=C([O-])COCC1CCCCCC1 34a_100000699130_100020667443 [0,0,0,1,0,0|1,0,2]=4 1328 B13R1.1988 O=C([O-])CSCC1CCCCCC1 62a_100020667443_200000696569 [0,0,0,1,0,0|1,0,2]=4 1329 B13R1.1988 O=C([O-])CSCC1CCCCCC1 62a_200000696569_100020667443 [0,0,0,1,0,0|1,0,2]=4 1330 B13R1.1988 OB(O)/C=C/CN1CCCCCC1 2230a_100000185865_100016262062 [0,0,0,1,0,0|2,0,1]=4 1331 B13R1.1988 OB(O)/C=C/CN1CCCCCC1 269982a_100000185865_100016262062 [0,0,0,1,0,0|2,0,1]=4 1332 B13R1.1988 OB(O)/C=C/CN1CCCCCC1 34a_100000185865_100016262062 [0,0,0,1,0,0|2,0,1]=4 1333 B13R1.3435 CCCCCCN1CCC1C(=O)O 269956a_100000021838_100000210757 [0,0,0,1,0,0|1,0,2]=4 1334 B10R0.71 C/C=C/CCOCCCCC 34a_100016278192_100000718602 [2,0,0,0,0,0|1,0,1]=4 1335 B10R0.71 C/C=C/COCCCCCC 34a_100000210259_100102629194 [2,0,0,0,0,0|1,0,1]=4 1336 B10R0.71 C/C=C/COCCCCCC 34a_100016270725_100000210314 [2,0,0,0,0,0|1,0,1]=4 1337 B10R0.71 C/C=C/COCCCCCC 7a_100000210259_100102629194 [2,0,0,0,0,0|1,0,1]=4 1338 B10R0.71 C/C=C/CSCCCCCC 62a_100000210314_100102629194 [2,0,0,0,0,0|1,0,1]=4 1339 B10R0.71 C/C=C/CSCCCCCC 62a_100102629194_100000210757 [2,0,0,0,0,0|1,0,1]=4 1340 B10R0.71 C=CCCCCCCCNC 2230a_106832991635_100012355270 [2,0,0,0,0,0|1,0,1]=4 1341 B10R0.71 C=CCCCCCCCNC 34a_100102657272_100012355270 [2,0,0,0,0,0|1,0,1]=4 1342 B10R0.71 C=CCCCCCCCNC 7a_106832991635_100012355270 [2,0,0,0,0,0|1,0,1]=4 1343 B10R0.71 C=CCCCCCCCOC 34a_100000730831_200000210301 [2,0,0,0,0,0|1,0,1]=4 1344 B10R0.71 C=CCCCCCCCOC 34a_100138415774_100012355270 [2,0,0,0,0,0|1,0,1]=4 1345 B10R0.71 C=CCCCCCCCOC 7a_100000730831_200000210301 [2,0,0,0,0,0|1,0,1]=4 1346 B10R0.71 C=CCCCCCCCO[13CH3] 34a_100000730831_200025704644 [2,0,0,0,0,0|1,0,1]=4 1347 B10R0.71 C=CCCCCCCCO[13CH3] 7a_100000730831_200025704644 [2,0,0,0,0,0|1,0,1]=4 1348 B10R0.71 C=CCCCCCCCSC 62a_100012355270_200000210301 [2,0,0,0,0,0|1,0,1]=4 1349 B10R0.71 C=CCCCCCCCSC 62a_200000210301_100012355270 [2,0,0,0,0,0|1,0,1]=4 1350 B10R0.71 C=CCCCCCCCS[13CH3] 62a_100012355270_200025704644 [2,0,0,0,0,0|1,0,1]=4 1351 B10R0.71 C=CCCCCCCCS[13CH3] 62a_200025704644_100012355270 [2,0,0,0,0,0|1,0,1]=4 1352 B10R0.71 C=CCCCCCCNCC 2230a_100015525214_100011215473 [2,0,0,0,0,0|1,0,1]=4 1353 B10R0.71 C=CCCCCCCOCC 34a_100121572206_100011215473 [2,0,0,0,0,0|1,0,1]=4 1354 B10R0.71 C=CCCCCCCOCC 34a_200011216477_100000210202 [2,0,0,0,0,0|1,0,1]=4 1355 B10R0.71 C=CCCCCCCOCC 7a_200011216477_100000210202 [2,0,0,0,0,0|1,0,1]=4 1356 B10R0.71 C=CCCCCCCSCC 62a_100000210202_100011215473 [2,0,0,0,0,0|1,0,1]=4 1357 B10R0.71 C=CCCCCCCSCC 62a_100011215473_100000210202 [2,0,0,0,0,0|1,0,1]=4 1358 B10R0.71 C=CCCCCCOCCC 34a_100000210258_100000700193 [2,0,0,0,0,0|1,0,1]=4 1359 B10R0.71 C=CCCCCCOCCC 34a_100011216702_100000210303 [2,0,0,0,0,0|1,0,1]=4 1360 B10R0.71 C=CCCCCCOCCC 7a_100011216702_100000210303 [2,0,0,0,0,0|1,0,1]=4 1361 B10R0.71 C=CCCCCCSCCC 62a_100000210303_100000700193 [2,0,0,0,0,0|1,0,1]=4 1362 B10R0.71 C=CCCCCCSCCC 62a_100000700193_100000210303 [2,0,0,0,0,0|1,0,1]=4 1363 B10R0.71 C=CCCCCNCCCC 2230a_100000102301_100011215482 [2,0,0,0,0,0|1,0,1]=4 1364 B10R0.71 C=CCCCCNCCCC 2230a_100000703577_100000210211 [2,0,0,0,0,0|1,0,1]=4 1365 B10R0.71 C=CCCCCNCCCC 34a_100000703577_100000210210 [2,0,0,0,0,0|1,0,1]=4 1366 B10R0.71 C=CCCCCNCCCC 7a_106832991798_100011215482 [2,0,0,0,0,0|1,0,1]=4 1367 B10R0.71 C=CCCCCOCCCC 34a_100000210227_100011215482 [2,0,0,0,0,0|1,0,1]=4 1368 B10R0.71 C=CCCCCOCCCC 34a_100000766645_100000210210 [2,0,0,0,0,0|1,0,1]=4 1369 B10R0.71 C=CCCCCOCCCC 7a_100000210227_100011215482 [2,0,0,0,0,0|1,0,1]=4 1370 B10R0.71 C=CCCCCOCCCC 7a_100000766645_100000210211 [2,0,0,0,0,0|1,0,1]=4 1371 B10R0.71 C=CCCCCSCCCC 62a_100000210211_100011215482 [2,0,0,0,0,0|1,0,1]=4 1372 B10R0.71 C=CCCCCSCCCC 62a_100011215482_100000210210 [2,0,0,0,0,0|1,0,1]=4 1373 B10R0.71 C=CCCCNCCCCC 2230a_100000209983_100011713584 [2,0,0,0,0,0|1,0,1]=4 1374 B10R0.71 C=CCCCNCCCCC 2230a_100000700776_100000210326 [2,0,0,0,0,0|1,0,1]=4 1375 B10R0.71 C=CCCCNCCCCC 34a_100000700776_100000718602 [2,0,0,0,0,0|1,0,1]=4 1376 B10R0.71 C=CCCCOCCCCC 34a_100000210253_100000757094 [2,0,0,0,0,0|1,0,1]=4 1377 B10R0.71 C=CCCCOCCCCC 34a_100000758997_100000718602 [2,0,0,0,0,0|1,0,1]=4 1378 B10R0.71 C=CCCCOCCCCC 7a_100000210253_100000757094 [2,0,0,0,0,0|1,0,1]=4 1379 B10R0.71 C=CCCCOCCCCC 7a_100000758997_100000210326 [2,0,0,0,0,0|1,0,1]=4 1380 B10R0.71 C=CCCCSCCCCC 62a_100000210326_100000757094 [2,0,0,0,0,0|1,0,1]=4 1381 B10R0.71 C=CCCCSCCCCC 62a_100011713584_100000210326 [2,0,0,0,0,0|1,0,1]=4 1382 B10R0.71 C=CCCNCCCCCC 2230a_100000210581_100000754431 [2,0,0,0,0,0|1,0,1]=4 1383 B10R0.71 C=CCCNCCCCCC 2230a_100015191253_100000210314 [2,0,0,0,0,0|1,0,1]=4 1384 B10R0.71 C=CCCOCCCCCC 34a_100000210259_100000754431 [2,0,0,0,0,0|1,0,1]=4 1385 B10R0.71 C=CCCOCCCCCC 34a_100011205117_100000210314 [2,0,0,0,0,0|1,0,1]=4 1386 B10R0.71 C=CCCOCCCCCC 7a_100000210259_100000754431 [2,0,0,0,0,0|1,0,1]=4 1387 B10R0.71 C=CCCSCCCCCC 62a_100000210314_100000754431 [2,0,0,0,0,0|1,0,1]=4 1388 B10R0.71 C=CCCSCCCCCC 62a_100000754431_100000210757 [2,0,0,0,0,0|1,0,1]=4 1389 B10R0.71 C=CCNCCCCCCC 2230a_100000229938_100000210623 [2,0,0,0,0,0|1,0,1]=4 1390 B10R0.71 C=CCNCCCCCCC 2230a_100020586998_100000210681 [2,0,0,0,0,0|1,0,1]=4 1391 B10R0.71 C=CCOCCCCCCC 34a_100000210272_100015514636 [2,0,0,0,0,0|1,0,1]=4 1392 B10R0.71 C=CCOCCCCCCC 34a_200000210373_100000210614 [2,0,0,0,0,0|1,0,1]=4 1393 B10R0.71 C=CCOCCCCCCC 7a_100000210272_100015514636 [2,0,0,0,0,0|1,0,1]=4 1394 B10R0.71 C=CCSCCCCCCC 62a_100000210614_100000210623 [2,0,0,0,0,0|1,0,1]=4 1395 B10R0.71 C=CCSCCCCCCC 62a_100000210623_100000210316 [2,0,0,0,0,0|1,0,1]=4 1396 B10R0.71 C=COCCCCOCCC 34a_100000031558_100000210303 [2,0,0,0,0,0|2,0,0]=4 1397 B10R0.71 C=COCCCCOCCC 7a_100000031558_100000210303 [2,0,0,0,0,0|2,0,0]=4 1398 B10R0.71 C=COCCCNCCCC 2230a_100000210767_100000210211 [2,0,0,0,0,0|2,0,0]=4 1399 B10R0.71 C=COCCCNCCCC 34a_100000210767_100000210210 [2,0,0,0,0,0|2,0,0]=4 1400 B10R0.71 C=COCCNCCCCC 2230a_100000209983_100000039644 [2,0,0,0,0,0|2,0,0]=4 1401 B10R0.71 C=COCCOCCCCC 34a_100000033082_100000718602 [2,0,0,0,0,0|2,0,0]=4 1402 B10R0.71 C=COCCOCCCCC 34a_100000210253_100000039644 [2,0,0,0,0,0|2,0,0]=4 1403 B10R0.71 C=COCCOCCCCC 7a_100000210253_100000039644 [2,0,0,0,0,0|2,0,0]=4 1404 B10R0.71 C=COCCSCCCCC 62a_100000039644_100000210326 [2,0,0,0,0,0|2,0,0]=4 1405 B10R0.71 C=COCCSCCCCC 62a_100000210326_100000039644 [2,0,0,0,0,0|2,0,0]=4 1406 B10R0.71 CC=CCCCOCCCC 34a_100020645299_100000210210 [2,0,0,0,0,0|1,0,1]=4 1407 B10R0.71 CC=CCNCCCCCC 2230a_100000210581_100000070051 [2,0,0,0,0,0|1,0,1]=4 1408 B10R0.71 CC=CCOCCCCCC 34a_100000210259_100000070051 [2,0,0,0,0,0|1,0,1]=4 1409 B10R0.71 CC=CCOCCCCCC 7a_100000210259_100000070051 [2,0,0,0,0,0|1,0,1]=4 1410 B10R0.71 CC=CCSCCCCCC 62a_100000070051_100000210757 [2,0,0,0,0,0|1,0,1]=4 1411 B10R0.71 CC=CCSCCCCCC 62a_100000210314_100000070051 [2,0,0,0,0,0|1,0,1]=4 1412 B10R0.71 CCCCCCCNCC=O 2230a_100000229938_200015260668 [2,0,0,0,0,0|1,0,1]=4 1413 B10R0.71 CCCCCCCOCC=O 34a_100000210272_200009817547 [2,0,0,0,0,0|1,0,1]=4 1414 B10R0.71 CCCCCCCOCC=O 7a_100000210272_200015260668 [2,0,0,0,0,0|1,0,1]=4 1415 B10R0.71 CCCCCCCSCC=O 62a_100000210614_200015260668 [2,0,0,0,0,0|1,0,1]=4 1416 B10R0.71 CCCCCCCSCC=O 62a_200015260668_100000210316 [2,0,0,0,0,0|1,0,1]=4 1417 B10R0.71 CCCCCNCCCC=O 2230a_100000209983_200011292268 [2,0,0,0,0,0|1,0,1]=4 1418 B10R0.71 CCCCCOCCCC=O 7a_100000210253_200011292268 [2,0,0,0,0,0|1,0,1]=4 1419 B10R0.71 CCCCCSCCCC=O 62a_100000210326_200011292268 [2,0,0,0,0,0|1,0,1]=4 1420 B10R0.71 CCCCCSCCCC=O 62a_200011292268_100000210326 [2,0,0,0,0,0|1,0,1]=4 1421 B10R0.71 CCCCNCCCCC=O 2230a_100000102301_100000139335 [2,0,0,0,0,0|1,0,1]=4 1422 B10R0.71 CCCCNCCCCC=O 7a_106832991798_100000139335 [2,0,0,0,0,0|1,0,1]=4 1423 B10R0.71 CCCCOCCCCC=O 7a_100000210227_100000139335 [2,0,0,0,0,0|1,0,1]=4 1424 B10R0.71 CCCCSCCCCC=O 62a_100000139335_100000210210 [2,0,0,0,0,0|1,0,1]=4 1425 B10R0.71 CCCCSCCCCC=O 62a_100000210211_100000139335 [2,0,0,0,0,0|1,0,1]=4 1426 B10R0.71 CCCSCCCCCC=O 62a_100000139337_100000210303 [2,0,0,0,0,0|1,0,1]=4 1427 B10R0.71 CCCSCCCCCC=O 62a_100000210303_100000139337 [2,0,0,0,0,0|1,0,1]=4 1428 B10R0.4 CC(=O)CCCCCCCO 1458a_100000070787_100000760002 [2,0,0,0,0,0|2,0,0]=4 1429 B10R0.4 CC(=O)CCCCCCCO 1458a_100011219782_200000210301 [2,0,0,0,0,0|2,0,0]=4 1430 B10R0.4 CCCCCCC=CC(=O)C 1458a_200015324643_200000210301 [2,0,0,0,0,0|1,0,0]=3 1431 B10R0.4 CCCCCCC=CC(=O)[13CH3] 1458a_200015324643_200025704644 [2,0,0,0,0,0|1,0,0]=3 1432 B10R0.4 CCCCCCCCC(=O)C 1458a_100000070787_100000210759 [2,0,0,0,0,0|1,0,0]=3 1433 B10R0.4 CCCCCCCCC(=O)C 1458a_100000210188_200000210301 [2,0,0,0,0,0|1,0,0]=3 1434 B10R0.4 CCCCCCCCC(=O)[13CH3] 1458a_100000210188_200025704644 [2,0,0,0,0,0|1,0,0]=3 1435 B10R0.4 CCCCCCCNC(=O)C 11a_100000229938_100015343762 [2,0,0,0,0,0|2,0,0]=4 1436 B10R0.4 CCCCCCCNC(=O)C 1626a_100000229938_100015343762 [2,0,0,0,0,0|2,0,0]=4 1437 B10R0.4 CCCCCCCNC(=O)C 240690a_100000229938_100015343762 [2,0,0,0,0,0|2,0,0]=4 1438 B10R0.4 CCCCCCCNC(=O)C 527a_100000229938_100103153847 [2,0,0,0,0,0|2,0,0]=4 1439 B10R0.4 CCCCCCNCC(=O)N 2230a_100000210581_100000747473 [2,0,0,0,0,0|2,0,0]=4 1440 B10R0.4 CCCCCCNCC(=O)N 2230a_100000711301_100000210314 [2,0,0,0,0,0|2,0,0]=4 1441 B10R0.4 CCCCCCNCC(=O)O 269956a_100016091260_100000210757 [2,0,0,0,0,0|1,0,0]=3 1442 B10R0.4 CCCCCCOCC(=O)C 34a_100000211253_100000210314 [2,0,0,0,0,0|2,0,0]=4 1443 B10R0.4 CCCCCCOCC(=O)N 34a_100000210259_100000187820 [2,0,0,0,0,0|2,0,0]=4 1444 B10R0.4 CCCCCCOCC(=O)N 7a_100000210259_100000187820 [2,0,0,0,0,0|2,0,0]=4 1445 B10R0.4 CCCCCCOCC(=O)[O-] 34a_100000210259_100020667443 [2,0,0,0,0,0|1,0,1]=4 1446 B10R0.4 CCCCCCSCC(=O)N 62a_100000210314_100000747473 [2,0,0,0,0,0|2,0,0]=4 1447 B10R0.4 CCCCCCSCC(=O)N 62a_100000747473_100000210757 [2,0,0,0,0,0|2,0,0]=4 1448 B10R0.4 CCCCCCSCC(=O)[O-] 62a_100000210314_100020667443 [2,0,0,0,0,0|1,0,1]=4 1449 B10R0.4 CCCCCCSCC(=O)[O-] 62a_100020667443_100000210757 [2,0,0,0,0,0|1,0,1]=4 1450 B10R0.4 CCCCCNCCC(=O)N 2230a_100000209983_100000744528 [2,0,0,0,0,0|2,0,0]=4 1451 B10R0.4 CCCCCNOCC(=O)O 269956a_100000106656_100000210326 [2,0,0,0,0,0|2,0,0]=4 1452 B10R0.4 CCCCCOCCC(=O)C 34a_100000759926_100000718602 [2,0,0,0,0,0|2,0,0]=4 1453 B10R0.4 CCCCCOCCC(=O)C 7a_100000210253_100000053229 [2,0,0,0,0,0|2,0,0]=4 1454 B10R0.4 CCCCCOCCC(=O)C 7a_100000759926_100000210326 [2,0,0,0,0,0|2,0,0]=4 1455 B10R0.4 CCCCCOCCC(=O)N 34a_100000210253_100000731001 [2,0,0,0,0,0|2,0,0]=4 1456 B10R0.4 CCCCCOCCC(=O)N 34a_100000757172_100000718602 [2,0,0,0,0,0|2,0,0]=4 1457 B10R0.4 CCCCCOCCC(=O)N 7a_100000210253_100000744528 [2,0,0,0,0,0|2,0,0]=4 1458 B10R0.4 CCCCCOCCC(=O)N 7a_100000757172_100000210326 [2,0,0,0,0,0|2,0,0]=4 1459 B10R0.4 CCCCCSCCC(=O)C 62a_100000053229_100000210326 [2,0,0,0,0,0|2,0,0]=4 1460 B10R0.4 CCCCCSCCC(=O)C 62a_100000210326_100000053229 [2,0,0,0,0,0|2,0,0]=4 1461 B10R0.4 CCCCCSCCC(=O)N 62a_100000210326_100000744528 [2,0,0,0,0,0|2,0,0]=4 1462 B10R0.4 CCCCCSCCC(=O)N 62a_100000744528_100000210326 [2,0,0,0,0,0|2,0,0]=4 1463 B10R0.4 CCCCNCCCC(=O)C 7a_106832991798_100011215641 [2,0,0,0,0,0|2,0,0]=4 1464 B10R0.4 CCCCNCCCC(=O)N 34a_100000739312_100000210210 [2,0,0,0,0,0|2,0,0]=4 1465 B10R0.4 CCCCNCCCC(=O)N 7a_106832991798_100102525003 [2,0,0,0,0,0|2,0,0]=4 1466 B10R0.4 CCCCOCCCC(=O)C 34a_100000210227_100000685027 [2,0,0,0,0,0|2,0,0]=4 1467 B10R0.4 CCCCOCCCC(=O)C 34a_100000759063_100000210210 [2,0,0,0,0,0|2,0,0]=4 1468 B10R0.4 CCCCOCCCC(=O)C 7a_100000210227_100011215641 [2,0,0,0,0,0|2,0,0]=4 1469 B10R0.4 CCCCOCCCC(=O)C 7a_100000759063_100000210211 [2,0,0,0,0,0|2,0,0]=4 1470 B10R0.4 CCCCOCCCC(=O)N 34a_100000210227_100102525003 [2,0,0,0,0,0|2,0,0]=4 1471 B10R0.4 CCCCOCCCC(=O)N 7a_100000210227_100102525003 [2,0,0,0,0,0|2,0,0]=4 1472 B10R0.4 CCCCOCNCC(=O)O 269956a_100016091260_100011995733 [2,0,0,0,0,0|2,0,0]=4 1473 B10R0.4 CCCCSCCCC(=O)C 62a_100000210211_100011215641 [2,0,0,0,0,0|2,0,0]=4 1474 B10R0.4 CCCCSCCCC(=O)C 62a_100011215641_100000210210 [2,0,0,0,0,0|2,0,0]=4 1475 B10R0.4 CCCCSCCCC(=O)N 62a_100000210211_100102525003 [2,0,0,0,0,0|2,0,0]=4 1476 B10R0.4 CCCCSCCCC(=O)N 62a_100102525003_100000210210 [2,0,0,0,0,0|2,0,0]=4 1477 B10R0.4 CCCNCCCCC(=O)N 34a_100000696515_100000210303 [2,0,0,0,0,0|2,0,0]=4 1478 B10R0.4 CCCNCCOCC(=O)O 269956a_100000700818_100000210207 [2,0,0,0,0,0|2,0,0]=4 1479 B10R0.4 CCCOCCCCC(=O)C 34a_100000210258_100009817362 [2,0,0,0,0,0|2,0,0]=4 1480 B10R0.4 CCCOCCCCC(=O)N 34a_100012022536_100000210303 [2,0,0,0,0,0|2,0,0]=4 1481 B10R0.4 CCCOCCCCC(=O)N 7a_100012022536_100000210303 [2,0,0,0,0,0|2,0,0]=4 1482 B10R0.4 CCCOCCNCC(=O)O 269956a_100016091260_100011215938 [2,0,0,0,0,0|2,0,0]=4 1483 B10R0.4 CCCSCCCCC(=O)C 62a_100000210303_100000735457 [2,0,0,0,0,0|2,0,0]=4 1484 B10R0.4 CCCSCCCCC(=O)C 62a_100000735457_100000210303 [2,0,0,0,0,0|2,0,0]=4 1485 B10R0.4 CCNCCCCCC(=O)N 2230a_100015525214_100009817443 [2,0,0,0,0,0|2,0,0]=4 1486 B10R0.4 CCOCCCCCC(=O)N 34a_100000123541_100000210202 [2,0,0,0,0,0|2,0,0]=4 1487 B10R0.4 CCOCCCCCC(=O)N 34a_100121572206_100009817443 [2,0,0,0,0,0|2,0,0]=4 1488 B10R0.4 CCOCCCCCC(=O)N 7a_100000123541_100000210202 [2,0,0,0,0,0|2,0,0]=4 1489 B10R0.4 CCOCCCCCC(=O)[O-] 7a_100102619762_100000210202 [2,0,0,0,0,0|1,0,1]=4 1490 B10R0.4 CCOCCCNCC(=O)O 269956a_100016091260_100012232248 [2,0,0,0,0,0|2,0,0]=4 1491 B10R0.4 CCSCCCCCC(=O)N 62a_100000210202_100009817443 [2,0,0,0,0,0|2,0,0]=4 1492 B10R0.4 CCSCCCCCC(=O)N 62a_100009817443_100000210202 [2,0,0,0,0,0|2,0,0]=4 1493 B10R0.4 COCCCCCCC(=O)C 1458a_100000070787_100011998445 [2,0,0,0,0,0|2,0,0]=4 1494 B10R0.4 COCCCCNCC(=O)O 269956a_100016091260_100000730899 [2,0,0,0,0,0|2,0,0]=4 1495 B10R0.4 O=C(O)CNCCCCCF 269956a_100016091260_100000729378 [2,0,0,0,0,0|2,0,0]=4 1496 B10R0.4 O=C(O)CNCCCCCO 269956a_100016091260_100000746330 [2,0,0,0,0,0|2,0,0]=4 1497 B10R0.4 [13CH3]C(=O)CCCCCCCO 1458a_100011219782_200025704644 [2,0,0,0,0,0|2,0,0]=4 1498 B12R0.1 C=CCC(=O)CCCCCCCC 1458a_100000210188_100000210623 [1,1,0,0,0,0|1,0,1]=4 1499 B12R0.1 C=CCC(=O)CCCCCCCC 1458a_100000210193_100000210759 [1,1,0,0,0,0|1,0,1]=4 1500 B12R0.1 CC=CC(=O)CCCCCCCC 1458a_100000210699_100000210759 [1,1,0,0,0,0|1,0,0]=3 1501 B12R0.1 CC=CC(=O)CCCCCCCO 1458a_100000210699_100000760002 [1,1,0,0,0,0|2,0,0]=4 1502 B12R0.1 CC=CC(=O)CCCCCCOC 1458a_100000210699_100011998445 [1,1,0,0,0,0|2,0,0]=4 1503 B12R0.1 CC=CC(=O)NCCCCCCC 11a_100000229938_100000210699 [1,1,0,0,0,0|2,0,0]=4 1504 B12R0.1 CC=CC(=O)NCCCCCCC 1626a_100000229938_100000210699 [1,1,0,0,0,0|2,0,0]=4 1505 B12R0.1 CC=CC(=O)NCCCCCCC 240690a_100000229938_100000210699 [1,1,0,0,0,0|2,0,0]=4 1506 B12R0.1 CCCCCCCCC(=O)C=CBr 1458a_100016273825_100000210759 [1,1,0,0,0,0|1,0,0]=3 1507 B12R0.1 CCCCCCCCC(=O)C=CCl 1458a_200016279998_100000210759 [1,1,0,0,0,0|1,0,0]=3 1508 B12R0.1 CCCCCCCCC(=O)C=CI 1458a_100016256311_100000210759 [1,1,0,0,0,0|1,0,0]=3 1509 B12R0.1 CCCCCCCCC(=O)CCO 1458a_100000210188_100000211926 [1,1,0,0,0,0|0,0,2]=4 1510 B12R0.1 CCCCCCCCC(=O)CCO 1458a_100011216618_100000210759 [1,1,0,0,0,0|0,0,2]=4 1511 B12R0.1 CCCCCCCCN(C)CC=O 2230a_100000207567_200015260668 [1,1,0,0,0,0|1,0,1]=4 1512 B12R0.1 CCCCCCCCN(C)CC=O 269982a_100000207567_200015260668 [1,1,0,0,0,0|1,0,1]=4 1513 B12R0.1 CCCCCCCNC(=O)C=CBr 1626a_100000229938_100016273825 [1,1,0,0,0,0|2,0,0]=4 1514 B12R0.1 CCCCCCCNC(=O)C=CBr 240690a_100000229938_100016273825 [1,1,0,0,0,0|2,0,0]=4 1515 B12R0.1 CCCCCCCNC(=O)C=CCl 11a_100000229938_200016279998 [1,1,0,0,0,0|2,0,0]=4 1516 B12R0.1 CCCCCCCNC(=O)C=CCl 1626a_100000229938_200016279998 [1,1,0,0,0,0|2,0,0]=4 1517 B12R0.1 CCCCCCCNC(=O)C=CCl 240690a_100000229938_200016279998 [1,1,0,0,0,0|2,0,0]=4 1518 B12R0.1 CCCCCCCNC(=O)C=CI 1626a_100000229938_100016256311 [1,1,0,0,0,0|2,0,0]=4 1519 B12R0.1 COCCCCCCC(=O)C=CBr 1458a_100016273825_100011998445 [1,1,0,0,0,0|2,0,0]=4 1520 B12R0.1 COCCCCCCC(=O)C=CCl 1458a_200016279998_100011998445 [1,1,0,0,0,0|2,0,0]=4 1521 B12R0.1 COCCCCCCC(=O)C=CI 1458a_100016256311_100011998445 [1,1,0,0,0,0|2,0,0]=4 1522 B12R0.1 O=C(C=CBr)CCCCCCCO 1458a_100016273825_100000760002 [1,1,0,0,0,0|2,0,0]=4 1523 B12R0.1 O=C(C=CCl)CCCCCCCO 1458a_200016279998_100000760002 [1,1,0,0,0,0|2,0,0]=4 1524 B12R0.1 O=C(C=CI)CCCCCCCO 1458a_100016256311_100000760002 [1,1,0,0,0,0|2,0,0]=4 1525 B12R0.5 C/C=C/C=C/COCCCCCC 34a_100016283227_100000210314 [1,1,0,0,0,0|1,0,1]=4 1526 B12R0.5 C/C=C/CCOCCCCCCC 34a_100016278192_100000210614 [1,1,0,0,0,0|1,0,1]=4 1527 B12R0.5 C/C=C/CNCCCCCCCC 34a_100000229939_100102629194 [1,1,0,0,0,0|1,0,1]=4 1528 B12R0.5 C/C=C/COCCCCCCCC 34a_100000210232_100102629194 [1,1,0,0,0,0|1,0,1]=4 1529 B12R0.5 C/C=C/COCCCCCCCC 34a_100016270725_100000210759 [1,1,0,0,0,0|1,0,1]=4 1530 B12R0.5 C/C=C/COCCCCCCCC 7a_100000210232_100102629194 [1,1,0,0,0,0|1,0,1]=4 1531 B12R0.5 C/C=C/CSCCCCCCCC 62a_100000210759_100102629194 [1,1,0,0,0,0|1,0,1]=4 1532 B12R0.5 C/C=C/CSCCCCCCCC 62a_100102629194_100000210317 [1,1,0,0,0,0|1,0,1]=4 1533 B12R0.5 CC/C=C/CCCOCCCCC 34a_100016287902_100000718602 [1,1,0,0,0,0|1,0,1]=4 1534 B12R0.5 CC/C=C/CCCOCCCCC 7a_100016287902_100000210326 [1,1,0,0,0,0|1,0,1]=4 1535 B12R0.5 CC/C=C\CCCCCCCNC 269862a_106832991636_200025770492 [1,1,0,0,0,0|1,0,1]=4 1536 B12R0.5 CC/C=C\CCCCCNCCC 269862a_100020643023_100016288537 [1,1,0,0,0,0|1,0,1]=4 1537 B12R0.5 CC/C=C\CCCCCOCCC 34a_100016268722_100000210303 [1,1,0,0,0,0|1,0,1]=4 1538 B12R0.5 CC/C=C\CCCCCOCCC 7a_100016268722_100000210303 [1,1,0,0,0,0|1,0,1]=4 1539 B12R0.5 CC/C=C\CCCCOCCCC 34a_100016287862_100000210210 [1,1,0,0,0,0|1,0,1]=4 1540 B12R0.5 CC/C=C\CCCCOCCCC 7a_100016287862_100000210211 [1,1,0,0,0,0|1,0,1]=4 1541 B12R0.5 CC/C=C\CCNCCCCCC 2230a_100000210581_100015370543 [1,1,0,0,0,0|1,0,1]=4 1542 B12R0.5 CC/C=C\CCOCCCCCC 34a_100000210259_100015370543 [1,1,0,0,0,0|1,0,1]=4 1543 B12R0.5 CC/C=C\CCOCCCCCC 34a_100016288707_100000210314 [1,1,0,0,0,0|1,0,1]=4 1544 B12R0.5 CC/C=C\CCOCCCCCC 7a_100000210259_100015370543 [1,1,0,0,0,0|1,0,1]=4 1545 B12R0.5 CC/C=C\CCOCCCCCC 7a_100016288707_100000210314 [1,1,0,0,0,0|1,0,1]=4 1546 B12R0.5 CC/C=C\CCSCCCCCC 62a_100000210314_100015370543 [1,1,0,0,0,0|1,0,1]=4 1547 B12R0.5 CC/C=C\CCSCCCCCC 62a_100015370543_100000210757 [1,1,0,0,0,0|1,0,1]=4 1548 B12R0.5 CC/C=C\CNCCCCCCC 2230a_100000229938_100103147603 [1,1,0,0,0,0|1,0,1]=4 1549 B12R0.5 CC/C=C\COCCCCCCC 34a_100000210272_100103147603 [1,1,0,0,0,0|1,0,1]=4 1550 B12R0.5 CC/C=C\COCCCCCCC 34a_100016268518_100000210614 [1,1,0,0,0,0|1,0,1]=4 1551 B12R0.5 CC/C=C\COCCCCCCC 7a_100000210272_100103147603 [1,1,0,0,0,0|1,0,1]=4 1552 B12R0.5 CC/C=C\CSCCCCCCC 62a_100000210614_100103147603 [1,1,0,0,0,0|1,0,1]=4 1553 B12R0.5 CC/C=C\CSCCCCCCC 62a_100103147603_100000210316 [1,1,0,0,0,0|1,0,1]=4 1554 B12R0.5 CC=C=CCCOCCCCCC 34a_100011020354_100000210314 [1,1,0,0,0,0|1,0,1]=4 1555 B12R0.5 CC=CCCCOCCCCCC 34a_100020645299_100000210314 [1,1,0,0,0,0|1,0,1]=4 1556 B12R0.5 CC=CCNCCCCCCCC 2230a_100000229939_100000070051 [1,1,0,0,0,0|1,0,1]=4 1557 B12R0.5 CC=CCNCCCCCCCC 34a_100000229939_100000070051 [1,1,0,0,0,0|1,0,1]=4 1558 B12R0.5 CC=CCOCCCCCCCC 34a_100000210232_100000070051 [1,1,0,0,0,0|1,0,1]=4 1559 B12R0.5 CC=CCOCCCCCCCC 7a_100000210232_100000070051 [1,1,0,0,0,0|1,0,1]=4 1560 B12R0.5 CC=CCSCCCCCCCC 62a_100000070051_100000210317 [1,1,0,0,0,0|1,0,1]=4 1561 B12R0.5 CC=CCSCCCCCCCC 62a_100000210759_100000070051 [1,1,0,0,0,0|1,0,1]=4 1562 B12R0.5 CCCCCCCC/C=C/COC 34a_200020667288_200000210301 [1,1,0,0,0,0|0,0,1]=3 1563 B12R0.5 CCCCCCCC/C=C/COC 7a_200020667288_200000210301 [1,1,0,0,0,0|0,0,1]=3 1564 B12R0.5 CCCCCCCC/C=C/CO[13CH3] 34a_200020667288_200025704644 [1,1,0,0,0,0|0,0,1]=3 1565 B12R0.5 CCCCCCCC/C=C/CO[13CH3] 7a_200020667288_200025704644 [1,1,0,0,0,0|0,0,1]=3 1566 B12R0.5 CCCCCCCCCNCC=O 2230a_100000212291_200015260668 [1,1,0,0,0,0|0,0,2]=4 1567 B12R0.5 CCCCCCCCCNCC=O 34a_100000212291_200009817547 [1,1,0,0,0,0|0,0,2]=4 1568 B12R0.5 CCCCCCCCCOCC=O 34a_100000210712_200009817547 [1,1,0,0,0,0|0,0,2]=4 1569 B12R0.5 CCCCCCCCCOCC=O 7a_100000210712_200015260668 [1,1,0,0,0,0|0,0,2]=4 1570 B12R0.5 CCCCCCCCCSCC=O 62a_200015260668_100000210670 [1,1,0,0,0,0|0,0,2]=4 1571 B12R0.5 CCCCCCCNCCCC=O 2230a_100000229938_200011292268 [1,1,0,0,0,0|0,0,2]=4 1572 B12R0.5 CCCCCCCOCCCC=O 7a_100000210272_200011292268 [1,1,0,0,0,0|0,0,2]=4 1573 B12R0.5 CCCCCCCSCCCC=O 62a_100000210614_200011292268 [1,1,0,0,0,0|0,0,2]=4 1574 B12R0.5 CCCCCCCSCCCC=O 62a_200011292268_100000210316 [1,1,0,0,0,0|0,0,2]=4 1575 B12R0.5 CCCCCCNCCCCC=O 2230a_100000210581_100000139335 [1,1,0,0,0,0|0,0,2]=4 1576 B12R0.5 CCCCCCOCCCCC=O 7a_100000210259_100000139335 [1,1,0,0,0,0|0,0,2]=4 1577 B12R0.5 CCCCCCOCCOCC=O 34a_100000691444_200009817547 [1,1,0,0,0,0|1,0,1]=4 1578 B12R0.5 CCCCCCOCCOCC=O 7a_100000691444_200015260668 [1,1,0,0,0,0|1,0,1]=4 1579 B12R0.5 CCCCCCSCCCCC=O 62a_100000139335_100000210757 [1,1,0,0,0,0|0,0,2]=4 1580 B12R0.5 CCCCCCSCCCCC=O 62a_100000210314_100000139335 [1,1,0,0,0,0|0,0,2]=4 1581 B12R0.5 CCCCCNCCCCCC=O 2230a_100000209983_100000139337 [1,1,0,0,0,0|0,0,2]=4 1582 B12R0.5 CCCCCOCCCCCC=O 7a_100000210253_100000139337 [1,1,0,0,0,0|0,0,2]=4 1583 B12R0.5 CCCCCSCCCCCC=O 62a_100000139337_100000210326 [1,1,0,0,0,0|0,0,2]=4 1584 B12R0.5 CCCCCSCCCCCC=O 62a_100000210326_100000139337 [1,1,0,0,0,0|0,0,2]=4 1585 B12R0.5 CCCCNCCCCOCC=O 34a_200011216965_200009817547 [1,1,0,0,0,0|1,0,1]=4 1586 B12R0.5 CCCCOCCCCOCC=O 34a_200000760531_200009817547 [1,1,0,0,0,0|1,0,1]=4 1587 B12R0.5 CCCCOCCCCOCC=O 7a_200000760531_200015260668 [1,1,0,0,0,0|1,0,1]=4 1588 B12R0.5 NCCCCCCCCOCC=O 34a_102515433106_200009817547 [1,1,0,0,0,0|1,0,1]=4 1589 B12R0.5 O=CCNCCCCCCCCO 2230a_102515433106_200015260668 [1,1,0,0,0,0|1,0,1]=4 1590 B12R0.5 O=CCNCCCCCCCCO 34a_102515433106_200009817547 [1,1,0,0,0,0|1,0,1]=4 1591 B12R0.5 O=CCOCCCCCCCCBr 34a_100009813846_200009817547 [1,1,0,0,0,0|1,0,1]=4 1592 B12R0.5 O=CCOCCCCCCCCBr 7a_100009813846_200015260668 [1,1,0,0,0,0|1,0,1]=4 1593 B12R0.5 O=CCOCCCCCCCCCl 34a_100000033203_200009817547 [1,1,0,0,0,0|1,0,1]=4 1594 B12R0.5 O=CCOCCCCCCCCCl 7a_100000033203_200015260668 [1,1,0,0,0,0|1,0,1]=4 1595 B12R0.5 O=CCSCCCCCCCCO 62a_100000033203_200015260668 [1,1,0,0,0,0|1,0,1]=4 1596 B12R0.5 O=CCSCCCCCCCCO 62a_200015260668_100000033203 [1,1,0,0,0,0|1,0,1]=4 1597 B12R0.206 C=CC=CC(=O)CCCCCCC 1458a_100016291481_100000210614 [1,1,0,0,0,0|1,0,1]=4 1598 B12R0.206 CCCCCCCC(C)OCC=O 34a_200011215852_200009817547 [1,1,0,0,0,0|1,0,1]=4 1599 B12R0.206 CCCCCCCC(C)OCC=O 7a_200011215852_200015260668 [1,1,0,0,0,0|1,0,1]=4 1600 B12R0.206 CCCCCCCC(C)SCC=O 62a_200011218727_200015260668 [1,1,0,0,0,0|1,0,1]=4 1601 B12R0.206 CCCCCCCC(C)SCC=O 62a_200015260668_200011218727 [1,1,0,0,0,0|1,0,1]=4 1602 B12R0.248 C=CC(=O)CCCCCCCCC 1458a_100000185746_100000210670 [1,1,0,0,0,0|1,0,1]=4 1603 B12R0.248 C=CC(=O)NCCCCCCCC 1626a_100000229939_100000185746 [1,1,0,0,0,0|2,0,0]=4 1604 B12R0.248 C=CC(=O)NCCCCCCCC 240690a_100000229939_200121576911 [1,1,0,0,0,0|2,0,0]=4 1605 B12R0.248 CCC(C)CCCCCOCC=O 7a_200000035636_200015260668 [1,1,0,0,0,0|1,0,1]=4 1606 B12R0.248 CCCCCCCCCC(=O)CO 1458a_100000210174_100000210670 [1,1,0,0,0,0|0,0,2]=4 1607 B12R0.248 CCCCCCCCNC(=O)CO 240690a_100000229939_100000210174 [1,1,0,0,0,0|1,0,1]=4 1608 B12R0.248 CCCCCCCCNC(=O)CO 527a_100000229939_100000210174 [1,1,0,0,0,0|1,0,1]=4 1609 B12R0.4 CCCCCCCC(=O)C=C(C)C 1458a_100000211388_100000210614 [1,1,0,0,0,0|2,0,0]=4 1610 B12R0.4 CCCCCCCC(=O)C=C(C)Cl 1458a_200042562850_100000210614 [1,1,0,0,0,0|2,0,0]=4 1611 B12R0.4 CCCCCCCC(=O)C=C(C)I 1458a_100025716642_100000210614 [1,1,0,0,0,0|2,0,0]=4 1612 B12R0.4 CCCCCCCC(=O)C=C(Cl)Cl 1458a_100000137448_100000210614 [1,1,0,0,0,0|2,0,0]=4 1613 B12R0.4 CCCCCCCC(=O)CC(=O)N 1458a_100000211969_100000187820 [1,1,0,0,0,0|1,0,1]=4 1614 B12R0.4 CCCCCCCC(=O)CC(=O)N 1458a_100134613110_100000210614 [1,1,0,0,0,0|1,0,1]=4 1615 B12R0.4 CCCCCCCC(=O)CC(=O)[O-] 1458a_100000211969_100020667443 [1,1,0,0,0,0|0,0,2]=4 1616 B12R0.4 CCCCCCCC(O)CC(=O)C 1458a_200011667753_200000210301 [1,1,0,0,0,0|1,0,1]=4 1617 B12R0.4 CCCCCCCC(O)CC(=O)[13CH3] 1458a_200011667753_200025704644 [1,1,0,0,0,0|1,0,1]=4 1618 B12R0.4 CCCCCCCN(C)CC(=O)O 269956a_100000746989_100000210614 [1,1,0,0,0,0|1,0,1]=4 1619 B12R0.4 CCCCCNCC(O)CC(=O)O 269956a_100011218706_100000210326 [1,1,0,0,0,0|1,0,1]=4 1620 B12R0.233 CCCCCN(C)CCCC(=O)O 269956a_100000719178_100000210326 [1,1,0,0,0,0|1,0,1]=4 1621 B12R0.251 C=C(C)C(=O)CCCCCCCC 1458a_100000185857_100000210759 [1,1,0,0,0,0|2,0,0]=4 1622 B12R0.251 CCCCCCCCC(=O)C(O)O 1458a_100000233687_100000210759 [1,1,0,0,0,0|0,0,2]=4 1623 B12R0.251 CCCCCCCCC(=O)[C@@H](C)O 1458a_100000717761_100000210759 [1,1,0,0,0,0|1,0,1]=4 1624 B12R0.251 CCCCCCCCC(=O)[C@H](C)O 1458a_217856618621_100000210759 [1,1,0,0,0,0|1,0,1]=4 1625 B12R0.251 CCCCCCCCC(O)C(=O)C 1458a_200011995895_200000210301 [1,1,0,0,0,0|1,0,1]=4 1626 B12R0.251 CCCCCCCCC(O)C(=O)[13CH3] 1458a_200011995895_200025704644 [1,1,0,0,0,0|1,0,1]=4 1627 B12R0.251 CCCCCCCCN(C)C(=O)C 11a_100000207567_100015343762 [1,1,0,0,0,0|2,0,0]=4 1628 B12R0.251 CCCCCCCCN(C)C(=O)C 1626a_100000207567_100015343762 [1,1,0,0,0,0|2,0,0]=4 1629 B12R0.251 CCCCCCCCN(C)C(=O)C 240690a_100000207567_100015343762 [1,1,0,0,0,0|2,0,0]=4 1630 B12R0.251 CCCCCCCCN(C)C(=O)C 527a_100000207567_100103153847 [1,1,0,0,0,0|2,0,0]=4 1631 B12R0.251 CCCCCCCNC(=O)C(=O)N 240690a_100000229938_100011215815 [1,1,0,0,0,0|2,0,0]=4 1632 B12R0.251 CCCCCCCN[C@@H](C)C(=O)O 269956a_100000743915_100000210614 [1,1,0,0,0,0|1,0,1]=4 1633 B12R0.251 CCCCCCNCC(C)C(=O)O 269956a_100000749485_100000210757 [1,1,0,0,0,0|1,0,1]=4 1634 B12R0.251 CCCCCCNCC(F)C(=O)O 269956a_100000084737_100000210757 [1,1,0,0,0,0|1,0,1]=4 1635 B12R0.251 CCCCCCOCC(=O)C(=O)C 34a_100000210259_100011261029 [1,1,0,0,0,0|2,0,0]=4 1636 B12R0.251 CCCCCCSCC(=O)C(=O)C 62a_100000210314_100011261029 [1,1,0,0,0,0|2,0,0]=4 1637 B12R0.251 CCCCCCSCC(=O)C(=O)C 62a_100011261029_100000210757 [1,1,0,0,0,0|2,0,0]=4 1638 B12R0.255 CCCCCCC(C)NCC(=O)O 269956a_100016091260_100011215978 [1,1,0,0,0,0|1,0,1]=4 1639 B12R0.268 CC(=O)NCCCCCCC(C)C 11a_100000211014_100015343762 [1,1,0,0,0,0|2,0,0]=4 1640 B12R0.268 CC(=O)NCCCCCCC(C)C 1626a_100000211014_100015343762 [1,1,0,0,0,0|2,0,0]=4 1641 B12R0.268 CC(=O)NCCCCCCC(C)C 240690a_100000211014_100015343762 [1,1,0,0,0,0|2,0,0]=4 1642 B12R0.268 CC(=O)NCCCCCCC(C)C 527a_100000211014_100103153847 [1,1,0,0,0,0|2,0,0]=4 1643 B12R0.268 CC(C)CCCCCNCC(=O)O 269956a_100016091260_100000210682 [1,1,0,0,0,0|1,0,1]=4 1644 B14R0.2 CCCCCCCC(=O)C/C=C/B(O)O 1458a_100000211969_100016262062 [0,2,0,0,0,0|1,0,1]=4 1645 B14R0.2 CCCCCCCC(C)NOCC(=O)O 269956a_100000106656_200011218727 [0,2,0,0,0,0|1,0,1]=4 1646 B14R0.2 CCCCCCCN(C)C/C=C/B(O)O 2230a_100000228206_100016262062 [0,2,0,0,0,0|1,0,1]=4 1647 B14R0.2 CCCCCCCN(C)C/C=C/B(O)O 269982a_100000228206_100016262062 [0,2,0,0,0,0|1,0,1]=4 1648 B14R0.2 CCCCCCCN(C)CCCC(=O)O 269956a_100000719178_100000210614 [0,2,0,0,0,0|0,0,2]=4 1649 B14R0.12 CCCCCCN(C)C/C=C/C(=O)OC 2230a_106256046315_100000742655 [0,2,0,0,0,0|1,0,0]=3 1650 B14R0.12 CCCCCCN(C)C/C=C/C(=O)OC 269982a_106256046315_100000742655 [0,2,0,0,0,0|1,0,0]=3 1651 B14R0.12 COC(=O)/C=C/CN(C)CCCCCO 2230a_100000722520_100000742655 [0,2,0,0,0,0|2,0,0]=4 1652 B14R0.12 COC(=O)/C=C/CN(C)CCCCCO 269982a_100000722520_100000742655 [0,2,0,0,0,0|2,0,0]=4 1653 B14R0.67 CC(C)CCCC(C)CCNCC(=O)O 269956a_100016091260_100009816328 [0,2,0,0,0,0|1,0,1]=4 1654 B14R0.68 CC(C)CCCCCNC/C=C/B(O)O 2230a_100011290863_100016262062 [0,2,0,0,0,0|1,0,1]=4 1655 B14R0.68 CC(C)CCCCCNC/C=C/B(O)O 34a_100011290863_100016262062 [0,2,0,0,0,0|1,0,1]=4 1656 B14R0.68 CC(C)CCCCCOC/C=C/B(O)O 34a_100011995859_100016262062 [0,2,0,0,0,0|1,0,1]=4 1657 B14R0.68 CC(C)CCCCCOC/C=C/B(O)O 7a_100011995859_100016262062 [0,2,0,0,0,0|1,0,1]=4 1658 B14R0.68 CC(C)CCCCCSC/C=C/B(O)O 62a_100000210682_100016262062 [0,2,0,0,0,0|1,0,1]=4 1659 B14R0.68 CC(C)CCCCCSC/C=C/B(O)O 62a_100016262062_100000210682 [0,2,0,0,0,0|1,0,1]=4 1660 B14R0.68 CC(C)CCCCNCCOCC(=O)O 269956a_100000700818_100011216152 [0,2,0,0,0,0|1,0,1]=4 1661 B14R0.68 CC(C)CCCNCCC/C=C/B(O)O 2230a_200000737386_200016261450 [0,2,0,0,0,0|1,0,1]=4 1662 B14R0.68 CC(C)CCCNCCC/C=C/B(O)O 34a_200000737386_200016261450 [0,2,0,0,0,0|1,0,1]=4 1663 B14R0.68 CC(C)CCCOCCC/C=C/B(O)O 34a_100000210774_200016261450 [0,2,0,0,0,0|1,0,1]=4 1664 B14R0.68 CC(C)CCCOCCC/C=C/B(O)O 7a_100000210774_200016261450 [0,2,0,0,0,0|1,0,1]=4 1665 B14R0.68 CC(C)CCCSCCC/C=C/B(O)O 62a_100011214892_200016261450 [0,2,0,0,0,0|1,0,1]=4 1666 B14R0.68 CC(C)CCCSCCC/C=C/B(O)O 62a_200016261450_100011214892 [0,2,0,0,0,0|1,0,1]=4 1667 B14R0.68 CC(O)CCCSCCC/C=C/B(O)O 62a_200000718107_200016261450 [0,2,0,0,0,0|1,0,1]=4 1668 B14R0.68 CC(O)CCCSCCC/C=C/B(O)O 62a_200016261450_200000718107 [0,2,0,0,0,0|1,0,1]=4 1669 B14R0.153 CCCCC(C)NCCC/C=C/B(O)O 2230a_100000126638_200016261450 [0,2,0,0,0,0|1,0,1]=4 1670 B14R0.153 CCCCC(C)OCCC/C=C/B(O)O 34a_100000687866_200016261450 [0,2,0,0,0,0|1,0,1]=4 1671 B14R0.153 CCCCC(C)OCCC/C=C/B(O)O 7a_100000687866_200016261450 [0,2,0,0,0,0|1,0,1]=4 1672 B14R0.153 CCCCC(C)SCCC/C=C/B(O)O 62a_200011215066_200016261450 [0,2,0,0,0,0|1,0,1]=4 1673 B14R0.153 CCCCC(C)SCCC/C=C/B(O)O 62a_200016261450_200011215066 [0,2,0,0,0,0|1,0,1]=4 1674 B14R0.231 CCCCCC(C)NCCOCC(=O)O 269956a_100000700818_200011218191 [0,2,0,0,0,0|1,0,1]=4 1675 B14R0.231 CCCCCN(C)CCC/C=C/B(O)O 2230a_100000223495_200016261450 [0,2,0,0,0,0|1,0,1]=4 1676 B14R0.231 CCCCCN(C)CCC/C=C/B(O)O 269982a_100000223495_200016261450 [0,2,0,0,0,0|1,0,1]=4 1677 B14R0.305 CCC(C)CCNCCC/C=C/B(O)O 2230a_100020591266_200016261450 [0,2,0,0,0,0|1,0,1]=4 1678 B14R0.305 CCC(C)CCOCCC/C=C/B(O)O 7a_100011215188_200016261450 [0,2,0,0,0,0|1,0,1]=4 1679 B14R0.305 COC(=O)/C=C/CNCCCOC(C)C 2230a_100000737246_100000742655 [0,2,0,0,0,0|2,0,0]=4 1680 B14R0.305 COC(=O)/C=C/CNCCCOC(C)C 34a_100000737246_100000742655 [0,2,0,0,0,0|2,0,0]=4 1681 B14R0.305 COC(=O)/C=C/COCCCCC(C)C 34a_100011214890_100000742655 [0,2,0,0,0,0|1,0,0]=3 1682 B14R0.305 COC(=O)/C=C/COCCCCC(C)C 7a_100011214890_100000742655 [0,2,0,0,0,0|1,0,0]=3 1683 B14R0.305 COC(=O)/C=C/COCCCNC(C)C 34a_100000182298_100000742655 [0,2,0,0,0,0|2,0,0]=4 1684 B14R0.305 COC(=O)/C=C/COCCNCC(C)C 34a_100015185251_100000742655 [0,2,0,0,0,0|2,0,0]=4 1685 B14R0.305 COC(=O)/C=C/COCCOCC(C)C 34a_100000703358_100000742655 [0,2,0,0,0,0|2,0,0]=4 1686 B14R0.305 COC(=O)/C=C/COCCOCC(C)C 7a_100000703358_100000742655 [0,2,0,0,0,0|2,0,0]=4 1687 B14R0.305 COC(=O)/C=C/COCCSCC(C)C 34a_200000230437_100000742655 [0,2,0,0,0,0|2,0,0]=4 1688 B14R0.305 COC(=O)/C=C/COCCSCC(C)C 7a_200000230437_100000742655 [0,2,0,0,0,0|2,0,0]=4 1689 B14R0.305 COC(=O)/C=C/CSCCCCC(=O)C 62a_100000735457_100000742655 [0,2,0,0,0,0|1,0,1]=4 1690 B14R0.305 COC(=O)/C=C/CSCCCCC(=O)C 62a_100000742655_100000735457 [0,2,0,0,0,0|1,0,1]=4 1691 B14R0.305 COC(=O)/C=C/CSCCCCC(C)C 62a_100000742655_100011216152 [0,2,0,0,0,0|1,0,0]=3 1692 B14R0.305 COC(=O)/C=C/CSCCCCC(C)C 62a_100011216152_100000742655 [0,2,0,0,0,0|1,0,0]=3 1693 B14R0.305 COC(=O)/C=C/CSCCCCN(C)C 62a_100000742655_100000690147 [0,2,0,0,0,0|2,0,0]=4 1694 B14R0.305 COC(=O)CNCCCCCCC(C)C 2230a_100000211014_100000747449 [0,2,0,0,0,0|1,0,1]=4 1695 B14R0.305 COC(=O)CNCCCCCCC(C)C 34a_100000211014_100000747449 [0,2,0,0,0,0|1,0,1]=4 1696 B14R0.337 C#CCCCCCOC/C=C/C(=O)OC 34a_100000766912_100000742655 [0,2,0,0,0,0|0,0,2]=4 1697 B14R0.337 C#CCCCCCOC/C=C/C(=O)OC 7a_100000766912_100000742655 [0,2,0,0,0,0|0,0,2]=4 1698 B14R0.337 C#CCCCCCSC/C=C/C(=O)OC 62a_100000742655_100012094781 [0,2,0,0,0,0|0,0,2]=4 1699 B14R0.337 C#CCCCCCSC/C=C/C(=O)OC 62a_100012094781_100000742655 [0,2,0,0,0,0|0,0,2]=4 1700 B14R0.337 C=CCCCCCOC/C=C/C(=O)OC 34a_100011216702_100000742655 [0,2,0,0,0,0|0,0,2]=4 1701 B14R0.337 C=CCCCCCOC/C=C/C(=O)OC 7a_100011216702_100000742655 [0,2,0,0,0,0|0,0,2]=4 1702 B14R0.337 C=CCCCCCSC/C=C/C(=O)OC 62a_100000700193_100000742655 [0,2,0,0,0,0|0,0,2]=4 1703 B14R0.337 C=CCCCCCSC/C=C/C(=O)OC 62a_100000742655_100000700193 [0,2,0,0,0,0|0,0,2]=4 1704 B14R0.337 CC/C=C/CCCOC/C=C/C(=O)OC 34a_100016287902_100000742655 [0,2,0,0,0,0|0,0,2]=4 1705 B14R0.337 CC/C=C/CCCOC/C=C/C(=O)OC 7a_100016287902_100000742655 [0,2,0,0,0,0|0,0,2]=4 1706 B14R0.337 CCCC#CCCOC/C=C/C(=O)OC 34a_100000042726_100000742655 [0,2,0,0,0,0|0,0,2]=4 1707 B14R0.337 CCCC#CCCOC/C=C/C(=O)OC 7a_100000042726_100000742655 [0,2,0,0,0,0|0,0,2]=4 1708 B14R0.337 CCCC/C=C/COC/C=C/C(=O)OC 34a_200016272032_100000742655 [0,2,0,0,0,0|0,0,2]=4 1709 B14R0.337 CCCC/C=C/COC/C=C/C(=O)OC 7a_200016272032_100000742655 [0,2,0,0,0,0|0,0,2]=4 1710 B14R0.337 CCCCC#CCOC/C=C/C(=O)OC 34a_200000034558_100000742655 [0,2,0,0,0,0|0,0,2]=4 1711 B14R0.337 CCCCC#CCOC/C=C/C(=O)OC 7a_200000034558_100000742655 [0,2,0,0,0,0|0,0,2]=4 1712 B14R0.337 CCCCCCCCC=NNC(=O)CC 4a_100000183195_100011218696 [0,2,0,0,0,0|2,0,0]=4 1713 B14R0.337 CCCCCCCCCC=CC(=O)CC 1458a_200015352897_100000210202 [0,2,0,0,0,0|1,0,0]=3 1714 B14R0.337 CCCCCCCCCC=CC(=O)CF 1458a_200015352897_100015361967 [0,2,0,0,0,0|1,0,0]=3 1715 B14R0.337 CCCCCCCCCC=CC(=O)NC 11a_106832991635_200015352897 [0,2,0,0,0,0|1,0,0]=3 1716 B14R0.337 CCCCCCCCCC=CC(=O)NC 1626a_100102657272_200015352897 [0,2,0,0,0,0|1,0,0]=3 1717 B14R0.337 CCCCCCCCCC=CC(=O)NC 240690a_100102657272_200015352897 [0,2,0,0,0,0|1,0,0]=3 1718 B14R0.337 CCCCCCCCCCCC(=O)CO 1458a_100000210174_100011215454 [0,2,0,0,0,0|0,0,2]=4 1719 B14R0.337 CCCCCCCCCCNC(=O)CO 240690a_100000684558_100000210174 [0,2,0,0,0,0|0,0,2]=4 1720 B14R0.337 CCCCCCCCCCNC(=O)CO 527a_100000684558_100000210174 [0,2,0,0,0,0|0,0,2]=4 1721 B14R0.337 CCCCCCCCCNCC(=O)OC 2230a_100000212291_100000747449 [0,2,0,0,0,0|0,0,2]=4 1722 B14R0.337 CCCCCCCCCNCC(=O)OC 34a_100000212291_100000747449 [0,2,0,0,0,0|0,0,2]=4 1723 B14R0.337 CCCCCCCCCOCC(=O)OC 34a_100000210712_100000747449 [0,2,0,0,0,0|0,0,2]=4 1724 B14R0.337 CCCCCCCCCOCC(=O)OC 7a_100000210712_100000747449 [0,2,0,0,0,0|0,0,2]=4 1725 B14R0.337 CCCCCCCCCSCC(=O)OC 62a_100000747449_100000210670 [0,2,0,0,0,0|0,0,2]=4 1726 B14R0.337 CCCCCCCCNCCC(=O)OC 2230a_100000229939_100000204255 [0,2,0,0,0,0|0,0,2]=4 1727 B14R0.337 CCCCCCCCNCCC(=O)OC 34a_100000229939_100000742370 [0,2,0,0,0,0|0,0,2]=4 1728 B14R0.337 CCCCCCCCOCCC(=O)OC 34a_100000210232_100000742370 [0,2,0,0,0,0|0,0,2]=4 1729 B14R0.337 CCCCCCCCOCCC(=O)OC 7a_100000210232_100000204255 [0,2,0,0,0,0|0,0,2]=4 1730 B14R0.337 CCCCCCCCSCCC(=O)OC 62a_100000204255_100000210317 [0,2,0,0,0,0|0,0,2]=4 1731 B14R0.337 CCCCCCCCSCCC(=O)OC 62a_100000210759_100000204255 [0,2,0,0,0,0|0,0,2]=4 1732 B14R0.337 CCCCCCCCSCOC(=O)OC 62a_100000210759_100000139417 [0,2,0,0,0,0|1,0,1]=4 1733 B14R0.337 CCCCCCCNC/C=C/C(=O)OC 2230a_100000229938_100000742655 [0,2,0,0,0,0|0,0,0]=2 1734 B14R0.337 CCCCCCCNCCCC(=O)OC 2230a_100000229938_100011218270 [0,2,0,0,0,0|0,0,2]=4 1735 B14R0.337 CCCCCCCOC/C=C/C(=O)OC 34a_100000210272_100000742655 [0,2,0,0,0,0|0,0,0]=2 1736 B14R0.337 CCCCCCCOC/C=C/C(=O)OC 7a_100000210272_100000742655 [0,2,0,0,0,0|0,0,0]=2 1737 B14R0.337 CCCCCCCOCCCC(=O)OC 34a_100000210272_100000742333 [0,2,0,0,0,0|0,0,2]=4 1738 B14R0.337 CCCCCCCOCCCC(=O)OC 7a_100000210272_100011218270 [0,2,0,0,0,0|0,0,2]=4 1739 B14R0.337 CCCCCCCOCCNC(=O)OC 34a_100000757965_100000210614 [0,2,0,0,0,0|1,0,1]=4 1740 B14R0.337 CCCCCCCOCCOC(=O)OC 34a_100010262106_100000210614 [0,2,0,0,0,0|1,0,1]=4 1741 B14R0.337 CCCCCCCSC/C=C/C(=O)OC 62a_100000210614_100000742655 [0,2,0,0,0,0|0,0,0]=2 1742 B14R0.337 CCCCCCCSC/C=C/C(=O)OC 62a_100000742655_100000210316 [0,2,0,0,0,0|0,0,0]=2 1743 B14R0.337 CCCCCCCSCCCC(=O)OC 62a_100000210614_100011218270 [0,2,0,0,0,0|0,0,2]=4 1744 B14R0.337 CCCCCCCSCCCC(=O)OC 62a_100011218270_100000210316 [0,2,0,0,0,0|0,0,2]=4 1745 B14R0.337 CCCCCCNCCCCC(=O)OC 2230a_100000210581_100000204269 [0,2,0,0,0,0|0,0,2]=4 1746 B14R0.337 CCCCCCNCCOCC(=O)OC 2230a_100000210581_100000090808 [0,2,0,0,0,0|1,0,1]=4 1747 B14R0.337 CCCCCCOCCCCC(=O)OC 34a_100000059025_100000210314 [0,2,0,0,0,0|0,0,2]=4 1748 B14R0.337 CCCCCCOCCCCC(=O)OC 34a_100000210259_100000204269 [0,2,0,0,0,0|0,0,2]=4 1749 B14R0.337 CCCCCCOCCCCC(=O)OC 7a_100000059025_100000210314 [0,2,0,0,0,0|0,0,2]=4 1750 B14R0.337 CCCCCCOCCCCC(=O)OC 7a_100000210259_100000204269 [0,2,0,0,0,0|0,0,2]=4 1751 B14R0.337 CCCCCCOCCOCC(=O)OC 34a_100000210259_100000090808 [0,2,0,0,0,0|1,0,1]=4 1752 B14R0.337 CCCCCCOCCOCC(=O)OC 34a_100000691444_100000747449 [0,2,0,0,0,0|1,0,1]=4 1753 B14R0.337 CCCCCCOCCOCC(=O)OC 7a_100000210259_100000090808 [0,2,0,0,0,0|1,0,1]=4 1754 B14R0.337 CCCCCCOCCOCC(=O)OC 7a_100000691444_100000747449 [0,2,0,0,0,0|1,0,1]=4 1755 B14R0.337 CCCCCCSCCCCC(=O)OC 62a_100000204269_100000210757 [0,2,0,0,0,0|0,0,2]=4 1756 B14R0.337 CCCCCCSCCCCC(=O)OC 62a_100000210314_100000204269 [0,2,0,0,0,0|0,0,2]=4 1757 B14R0.337 CCCCCCSCCOCC(=O)OC 62a_100000090808_100000210757 [0,2,0,0,0,0|1,0,1]=4 1758 B14R0.337 CCCCCCSCCOCC(=O)OC 62a_100000210314_100000090808 [0,2,0,0,0,0|1,0,1]=4 1759 B14R0.337 CCCCCNCCCCCC(=O)OC 2230a_100000209983_100009816466 [0,2,0,0,0,0|0,0,2]=4 1760 B14R0.337 CCCCCOCCCCCC(=O)OC 34a_100000074720_100000718602 [0,2,0,0,0,0|0,0,2]=4 1761 B14R0.337 CCCCCOCCCCCC(=O)OC 34a_100000210253_100009816466 [0,2,0,0,0,0|0,0,2]=4 1762 B14R0.337 CCCCCOCCCCCC(=O)OC 7a_100000074720_100000210326 [0,2,0,0,0,0|0,0,2]=4 1763 B14R0.337 CCCCCOCCCCCC(=O)OC 7a_100000210253_100009816466 [0,2,0,0,0,0|0,0,2]=4 1764 B14R0.337 CCCCCSCCCCCC(=O)OC 62a_100000210326_100009816466 [0,2,0,0,0,0|0,0,2]=4 1765 B14R0.337 CCCCCSCCCCCC(=O)OC 62a_100009816466_100000210326 [0,2,0,0,0,0|0,0,2]=4 1766 B14R0.337 CCCCNCCCCCCC(=O)OC 2230a_100000102301_100009815986 [0,2,0,0,0,0|0,0,2]=4 1767 B14R0.337 CCCCNCCCCCCC(=O)OC 7a_106832991798_100009815986 [0,2,0,0,0,0|0,0,2]=4 1768 B14R0.337 CCCCNCCCCOCC(=O)OC 34a_200011216965_100000747449 [0,2,0,0,0,0|1,0,1]=4 1769 B14R0.337 CCCCOCCCCCCC(=O)OC 34a_100000210227_100009815986 [0,2,0,0,0,0|0,0,2]=4 1770 B14R0.337 CCCCOCCCCCCC(=O)OC 34a_100009863599_100000210210 [0,2,0,0,0,0|0,0,2]=4 1771 B14R0.337 CCCCOCCCCCCC(=O)OC 7a_100000210227_100009815986 [0,2,0,0,0,0|0,0,2]=4 1772 B14R0.337 CCCCOCCCCCCC(=O)OC 7a_100009863599_100000210211 [0,2,0,0,0,0|0,0,2]=4 1773 B14R0.337 CCCCOCCCCOCC(=O)OC 34a_200000760531_100000747449 [0,2,0,0,0,0|1,0,1]=4 1774 B14R0.337 CCCCOCCCCOCC(=O)OC 7a_200000760531_100000747449 [0,2,0,0,0,0|1,0,1]=4 1775 B14R0.337 CCCCOCCOC/C=C/C(=O)OC 34a_100000210238_100000742655 [0,2,0,0,0,0|1,0,0]=3 1776 B14R0.337 CCCCOCCOC/C=C/C(=O)OC 7a_100000210238_100000742655 [0,2,0,0,0,0|1,0,0]=3 1777 B14R0.337 CCCCOCCSC/C=C/C(=O)OC 62a_100000742655_100000743108 [0,2,0,0,0,0|1,0,0]=3 1778 B14R0.337 CCCCOCCSC/C=C/C(=O)OC 62a_100000743108_100000742655 [0,2,0,0,0,0|1,0,0]=3 1779 B14R0.337 CCCCSCCCCCCC(=O)OC 62a_100000210211_100009815986 [0,2,0,0,0,0|0,0,2]=4 1780 B14R0.337 CCCCSCCCCCCC(=O)OC 62a_100009815986_100000210210 [0,2,0,0,0,0|0,0,2]=4 1781 B14R0.337 CCCCSCCNC/C=C/C(=O)OC 2230a_100025743550_100000742655 [0,2,0,0,0,0|1,0,0]=3 1782 B14R0.337 CCCCSCCOC/C=C/C(=O)OC 34a_200000230436_100000742655 [0,2,0,0,0,0|1,0,0]=3 1783 B14R0.337 CCCCSCCOC/C=C/C(=O)OC 7a_200000230436_100000742655 [0,2,0,0,0,0|1,0,0]=3 1784 B14R0.337 CCCOCCCCCCCC(=O)OC 34a_100000210258_100010004213 [0,2,0,0,0,0|0,0,2]=4 1785 B14R0.337 CCCOCCCCCCCC(=O)OC 34a_100011022521_100000210303 [0,2,0,0,0,0|0,0,2]=4 1786 B14R0.337 CCCOCCCCCCCC(=O)OC 7a_100011022521_100000210303 [0,2,0,0,0,0|0,0,2]=4 1787 B14R0.337 CCCOCCCNC/C=C/C(=O)OC 2230a_100011217757_100000742655 [0,2,0,0,0,0|1,0,0]=3 1788 B14R0.337 CCCOCCCNC/C=C/C(=O)OC 34a_100011217757_100000742655 [0,2,0,0,0,0|1,0,0]=3 1789 B14R0.337 CCCSCCCCCCCC(=O)OC 62a_100000210303_100010004213 [0,2,0,0,0,0|0,0,2]=4 1790 B14R0.337 CCCSCCCCCCCC(=O)OC 62a_100010004213_100000210303 [0,2,0,0,0,0|0,0,2]=4 1791 B14R0.337 CCNCCCCCCCCC(=O)OC 2230a_100015525214_100010282707 [0,2,0,0,0,0|0,0,2]=4 1792 B14R0.337 CCOCCCCCCCCC(=O)OC 34a_100000035544_100000210202 [0,2,0,0,0,0|0,0,2]=4 1793 B14R0.337 CCOCCCCCCCCC(=O)OC 34a_100121572206_100010282707 [0,2,0,0,0,0|0,0,2]=4 1794 B14R0.337 CCOCCCCCCCCC(=O)OC 7a_100000035544_100000210202 [0,2,0,0,0,0|0,0,2]=4 1795 B14R0.337 CCSCCCCCCCCC(=O)OC 62a_100000210202_100010282707 [0,2,0,0,0,0|0,0,2]=4 1796 B14R0.337 CCSCCCCCCCCC(=O)OC 62a_100010282707_100000210202 [0,2,0,0,0,0|0,0,2]=4 1797 B14R0.337 CNCCCCCCCCCC(=O)OC 2230a_106832991635_100009813843 [0,2,0,0,0,0|0,0,2]=4 1798 B14R0.337 CNCCCCCCCCCC(=O)OC 34a_100102657272_100009813843 [0,2,0,0,0,0|0,0,2]=4 1799 B14R0.337 CNCCCCCCCCCC(=O)OC 7a_106832991635_100009813843 [0,2,0,0,0,0|0,0,2]=4 1800 B14R0.337 CNCCCCCOC/C=C/C(=O)OC 34a_100000722520_100000742655 [0,2,0,0,0,0|1,0,0]=3 1801 B14R0.337 CNCCOCCOC/C=C/C(=O)OC 34a_100000228057_100000742655 [0,2,0,0,0,0|2,0,0]=4 1802 B14R0.337 COC(=O)/C=C/CNCCCCCCO 2230a_100000686447_100000742655 [0,2,0,0,0,0|1,0,0]=3 1803 B14R0.337 COC(=O)/C=C/CNCCCCCCO 34a_100000686447_100000742655 [0,2,0,0,0,0|1,0,0]=3 1804 B14R0.337 COC(=O)/C=C/COCCCCCCBr 34a_100011215345_100000742655 [0,2,0,0,0,0|1,0,0]=3 1805 B14R0.337 COC(=O)/C=C/COCCCCCCBr 7a_100011215345_100000742655 [0,2,0,0,0,0|1,0,0]=3 1806 B14R0.337 COC(=O)/C=C/COCCCCCCCl 34a_100000766143_100000742655 [0,2,0,0,0,0|1,0,0]=3 1807 B14R0.337 COC(=O)/C=C/COCCCCCCCl 7a_100000766143_100000742655 [0,2,0,0,0,0|1,0,0]=3 1808 B14R0.337 COC(=O)/C=C/COCCCCCCF 34a_100000732779_100000742655 [0,2,0,0,0,0|1,0,0]=3 1809 B14R0.337 COC(=O)/C=C/COCCCCCCF 7a_100000732779_100000742655 [0,2,0,0,0,0|1,0,0]=3 1810 B14R0.337 COC(=O)/C=C/COCCCCCCN 34a_100000686447_100000742655 [0,2,0,0,0,0|1,0,0]=3 1811 B14R0.337 COC(=O)/C=C/CSCCCCCC#N 62a_100000742655_100009813376 [0,2,0,0,0,0|1,0,1]=4 1812 B14R0.337 COC(=O)/C=C/CSCCCCCC#N 62a_100009813376_100000742655 [0,2,0,0,0,0|1,0,1]=4 1813 B14R0.337 COC(=O)/C=C/CSCCCCCC=O 62a_100000139337_100000742655 [0,2,0,0,0,0|1,0,1]=4 1814 B14R0.337 COC(=O)/C=C/CSCCCCCC=O 62a_100000742655_100000139337 [0,2,0,0,0,0|1,0,1]=4 1815 B14R0.337 COC(=O)/C=C/CSCCCCCCF 62a_100000742655_100015922095 [0,2,0,0,0,0|1,0,0]=3 1816 B14R0.337 COC(=O)/C=C/CSCCCCCCF 62a_100015922095_100000742655 [0,2,0,0,0,0|1,0,0]=3 1817 B14R0.337 COC(=O)/C=C/CSCCCCCCO 62a_100000742655_100000766143 [0,2,0,0,0,0|1,0,0]=3 1818 B14R0.337 COC(=O)/C=C/CSCCCCCCO 62a_100000766143_100000742655 [0,2,0,0,0,0|1,0,0]=3 1819 B14R0.337 COC(=O)CCCCCCCCCSC 62a_200000210301_100009813843 [0,2,0,0,0,0|0,0,2]=4 1820 B14R0.337 COC(=O)CCCCCCCCCS[13CH3] 62a_200025704644_100009813843 [0,2,0,0,0,0|0,0,2]=4 1821 B14R0.337 COC(=O)CNCCCCCCCCO 2230a_102515433106_100000747449 [0,2,0,0,0,0|1,0,1]=4 1822 B14R0.337 COC(=O)CNCCCCCCCCO 34a_102515433106_100000747449 [0,2,0,0,0,0|1,0,1]=4 1823 B14R0.337 COC(=O)COCCCCCCCCBr 34a_100009813846_100000747449 [0,2,0,0,0,0|1,0,1]=4 1824 B14R0.337 COC(=O)COCCCCCCCCBr 7a_100009813846_100000747449 [0,2,0,0,0,0|1,0,1]=4 1825 B14R0.337 COC(=O)COCCCCCCCCCl 34a_100000033203_100000747449 [0,2,0,0,0,0|1,0,1]=4 1826 B14R0.337 COC(=O)COCCCCCCCCCl 7a_100000033203_100000747449 [0,2,0,0,0,0|1,0,1]=4 1827 B14R0.337 COC(=O)COCCCCCCCCN 34a_102515433106_100000747449 [0,2,0,0,0,0|1,0,1]=4 1828 B14R0.337 COC(=O)CSCCCCCCCCO 62a_100000033203_100000747449 [0,2,0,0,0,0|1,0,1]=4 1829 B14R0.337 COC(=O)CSCCCCCCCCO 62a_100000747449_100000033203 [0,2,0,0,0,0|1,0,1]=4 1830 B14R0.337 COCCCCCCCCCC(=O)OC 34a_100138415774_100009813843 [0,2,0,0,0,0|0,0,2]=4 1831 B14R0.337 COCCCCCNC/C=C/C(=O)OC 2230a_100000747528_100000742655 [0,2,0,0,0,0|1,0,0]=3 1832 B14R0.337 COCCCCCNC/C=C/C(=O)OC 34a_100000747528_100000742655 [0,2,0,0,0,0|1,0,0]=3 1833 B14R0.337 COCCOCCNC/C=C/C(=O)OC 2230a_100000745349_100000742655 [0,2,0,0,0,0|2,0,0]=4 1834 B14R0.337 COCCOCCNC/C=C/C(=O)OC 34a_100000745349_100000742655 [0,2,0,0,0,0|2,0,0]=4 1835 B14R0.337 COCCOCCOC/C=C/C(=O)OC 34a_100011215163_100000742655 [0,2,0,0,0,0|2,0,0]=4 1836 B14R0.337 COCCOCCOC/C=C/C(=O)OC 7a_100011215163_100000742655 [0,2,0,0,0,0|2,0,0]=4 1837 B14R0.337 COCCOCCSC/C=C/C(=O)OC 62a_100000695917_100000742655 [0,2,0,0,0,0|2,0,0]=4 1838 B14R0.337 COCCOCCSC/C=C/C(=O)OC 62a_100000742655_100000695917 [0,2,0,0,0,0|2,0,0]=4 1839 B14R0.337 O=C(CO)CCCCCCCCCCO 1458a_100000210174_100009813290 [0,2,0,0,0,0|0,0,2]=4 1840 B14R0.337 O=C(CO)NCCCCCCCCCO 240690a_100000078944_100000210174 [0,2,0,0,0,0|1,0,1]=4 1841 B14R0.340 CCCCCCCCC=CC(=O)C(C)C 1458a_100015345288_100000210206 [0,2,0,0,0,0|1,0,0]=3 1842 B14R0.340 CCCCCCCCC=CC(=O)N(C)C 11a_100102631434_100015345288 [0,2,0,0,0,0|1,0,0]=3 1843 B14R0.340 CCCCCCCCC=CC(=O)N(C)C 1626a_100102631434_100015345288 [0,2,0,0,0,0|1,0,0]=3 1844 B14R0.340 CCCCCCCCC=CC(=O)N(C)C 240690a_100102631434_100015345288 [0,2,0,0,0,0|1,0,0]=3 1845 B14R0.340 CCCCCCCCCCC(=O)C(O)O 1458a_100000233687_100000210319 [0,2,0,0,0,0|0,0,2]=4 1846 B14R0.340 CCCCCCCCCCC(=O)[C@@H](C)O 1458a_100000717761_100000210319 [0,2,0,0,0,0|0,0,2]=4 1847 B14R0.340 CCCCCCCCCCC(=O)[C@H](C)O 1458a_217856618621_100000210319 [0,2,0,0,0,0|0,0,2]=4 1848 B14R0.340 CCCCCCCCCNC(=O)C(=O)N 240690a_100000212291_100011215815 [0,2,0,0,0,0|1,0,1]=4 1849 B14R0.340 CCCCCCCCCNC(=O)C(O)O 240690a_100000212291_100000233687 [0,2,0,0,0,0|1,0,1]=4 1850 B14R0.340 CCCCCCCCCNC(=O)[C@@H](C)O 240690a_100000212291_100000717761 [0,2,0,0,0,0|1,0,1]=4 1851 B14R0.340 CCCCCCCCCNC(=O)[C@H](C)O 1626a_100000212291_217856618621 [0,2,0,0,0,0|1,0,1]=4 1852 B14R0.340 CCCCCCCCCNC(=O)[C@H](C)O 240690a_100000212291_217856618621 [0,2,0,0,0,0|1,0,1]=4 1853 B14R0.340 CCCCCCCCCN[C@@H](C)C(=O)O 269956a_100000743915_100000210670 [0,2,0,0,0,0|0,0,2]=4 1854 B14R0.340 CCCCCCCCNCC(=O)C(=O)C 34a_100000229939_100011261029 [0,2,0,0,0,0|1,0,1]=4 1855 B14R0.340 CCCCCCCCNCC(C)C(=O)O 269956a_100000749485_100000210759 [0,2,0,0,0,0|0,0,2]=4 1856 B14R0.340 CCCCCCCCNCC(F)C(=O)O 269956a_100000084737_100000210759 [0,2,0,0,0,0|0,0,2]=4 1857 B14R0.340 CCCCCCCCOCC(=O)C(=O)C 34a_100000210232_100011261029 [0,2,0,0,0,0|1,0,1]=4 1858 B14R0.340 CCCCCCCCSCC(=O)C(=O)C 62a_100000210759_100011261029 [0,2,0,0,0,0|1,0,1]=4 1859 B14R0.340 CCCCCCCCSCC(=O)C(=O)C 62a_100011261029_100000210317 [0,2,0,0,0,0|1,0,1]=4 1860 B14R0.340 CN(C)C(=O)C=CCCCCCCCO 1626a_100102631434_100016988705 [0,2,0,0,0,0|2,0,0]=4 1861 B14R0.340 CN(C)C(=O)C=CCCCCCCCO 240690a_100102631434_100016988705 [0,2,0,0,0,0|2,0,0]=4 1862 B14R0.340 C[C@H](NCCCCCCCCO)C(=O)O 269956a_100000743915_100000033203 [0,2,0,0,0,0|1,0,1]=4 1863 B14R0.340 NC(=O)C(=O)NCCCCCCCCO 240690a_102515433106_100011215815 [0,2,0,0,0,0|2,0,0]=4 1864 B14R0.344 CCCCCCCCC(=NNC(=O)C)C 4a_100000189765_100011216694 [0,2,0,0,0,0|2,0,0]=4 1865 B14R0.344 CCCCCCCCC(=O)CC=C(C)C 1458a_100000210188_100000761012 [0,2,0,0,0,0|2,0,0]=4 1866 B14R0.344 CCCCCCCCC(=O)CC=C(C)C 1458a_100011220947_100000210759 [0,2,0,0,0,0|2,0,0]=4 1867 B14R0.344 CCCCCCCCC(=O)CCC(=O)N 1458a_100011215257_100000210759 [0,2,0,0,0,0|1,0,1]=4 1868 B14R0.344 CCCCCCCCC(=O)CNC(=O)C 1458a_100000194580_100000210759 [0,2,0,0,0,0|1,0,1]=4 1869 B14R0.344 CCCCCCCCC(=O)CNC(=O)N 1458a_100000184981_100000210759 [0,2,0,0,0,0|1,0,1]=4 1870 B14R0.344 CCCCCCCCC(=O)COC(=O)C 1458a_100000183556_100000210759 [0,2,0,0,0,0|1,0,1]=4 1871 B14R0.344 CCCCCCCCC(=O)CSC(=O)C 1458a_100000049016_100000210759 [0,2,0,0,0,0|1,0,1]=4 1872 B14R0.344 CCCCCCCCC(=O)NCC(=O)N 11a_100000711301_100000210188 [0,2,0,0,0,0|1,0,1]=4 1873 B14R0.344 CCCCCCCCC(=O)NCC(=O)N 240690a_100000711301_100000210188 [0,2,0,0,0,0|1,0,1]=4 1874 B14R0.344 CCCCCCCCC(=O)NCC(=O)N 527a_100000711301_100000210188 [0,2,0,0,0,0|1,0,1]=4 1875 B14R0.344 CCCCCCCCC(=O)NNC(=O)C 22a_100000189765_100000210188 [0,2,0,0,0,0|2,0,0]=4 1876 B14R0.344 CCCCCCNCC(=O)NCC(=O)O 269956a_100000183575_100000210757 [0,2,0,0,0,0|1,0,1]=4 1877 B14R0.344 CCCCCNCCC(=O)NCC(=O)O 269956a_100000722369_100000210326 [0,2,0,0,0,0|1,0,1]=4 1878 B14R0.391 CC(=CC(=O)CCCCCCCCO)C 1458a_100000211388_100000033203 [0,2,0,0,0,0|2,0,0]=4 1879 B14R0.391 CC(=CC(=O)CCCCCCCCO)Cl 1458a_200042562850_100000033203 [0,2,0,0,0,0|2,0,0]=4 1880 B14R0.391 CC(=CC(=O)CCCCCCCCO)I 1458a_100025716642_100000033203 [0,2,0,0,0,0|2,0,0]=4 1881 B14R0.391 CCCCCCCC=CC(=O)CC(=O)N 1458a_200015332781_100000187820 [0,2,0,0,0,0|1,0,1]=4 1882 B14R0.391 CCCCCCCC=CC(=O)CC(=O)[O-] 1458a_200015332781_100020667443 [0,2,0,0,0,0|0,0,2]=4 1883 B14R0.391 CCCCCCCCCC(=O)C=C(C)C 1458a_100000211388_100000210670 [0,2,0,0,0,0|2,0,0]=4 1884 B14R0.391 CCCCCCCCCC(=O)C=C(C)Cl 1458a_200042562850_100000210670 [0,2,0,0,0,0|2,0,0]=4 1885 B14R0.391 CCCCCCCCCC(=O)C=C(C)I 1458a_100025716642_100000210670 [0,2,0,0,0,0|2,0,0]=4 1886 B14R0.391 CCCCCCCCCC(=O)C=C(Cl)Cl 1458a_100000137448_100000210670 [0,2,0,0,0,0|2,0,0]=4 1887 B14R0.391 CCCCCCCCCC(=O)CC(=O)N 1458a_100000210558_100000187820 [0,2,0,0,0,0|1,0,1]=4 1888 B14R0.391 CCCCCCCCCC(=O)CC(=O)N 1458a_100134613110_100000210670 [0,2,0,0,0,0|1,0,1]=4 1889 B14R0.391 CCCCCCCCCC(=O)CC(=O)[O-] 1458a_100000210558_100020667443 [0,2,0,0,0,0|0,0,2]=4 1890 B14R0.391 CCCCCCCCCN(C)CC(=O)O 269956a_100000746989_100000210670 [0,2,0,0,0,0|0,0,2]=4 1891 B14R0.391 CCCCCCCCNC(=O)C=C(C)C 11a_100000229939_100000211388 [0,2,0,0,0,0|2,0,0]=4 1892 B14R0.391 CCCCCCCCNC(=O)C=C(C)C 1626a_100000229939_100000211388 [0,2,0,0,0,0|2,0,0]=4 1893 B14R0.391 CCCCCCCCNC(=O)C=C(C)C 240690a_100000229939_100000211388 [0,2,0,0,0,0|2,0,0]=4 1894 B14R0.391 CCCCCCCCNC(=O)C=C(C)Cl 11a_100000229939_200042562850 [0,2,0,0,0,0|2,0,0]=4 1895 B14R0.391 CCCCCCCCNC(=O)C=C(C)Cl 1626a_100000229939_200042562850 [0,2,0,0,0,0|2,0,0]=4 1896 B14R0.391 CCCCCCCCNC(=O)C=C(C)Cl 240690a_100000229939_200042562850 [0,2,0,0,0,0|2,0,0]=4 1897 B14R0.391 CCCCCCCCNC(=O)C=C(C)I 11a_100000229939_100025716642 [0,2,0,0,0,0|2,0,0]=4 1898 B14R0.391 CCCCCCCCNC(=O)C=C(C)I 1626a_100000229939_100025716642 [0,2,0,0,0,0|2,0,0]=4 1899 B14R0.391 CCCCCCCCNC(=O)C=C(Cl)Cl 1626a_100000229939_100000137448 [0,2,0,0,0,0|2,0,0]=4 1900 B14R0.391 CCCCCCCCNC(=O)C=C(Cl)Cl 240690a_100000229939_100000137448 [0,2,0,0,0,0|2,0,0]=4 1901 B14R0.391 CCCCCCCCNC(=O)CC(=O)N 240690a_100000229939_100134613110 [0,2,0,0,0,0|1,0,1]=4 1902 B14R0.391 CCCCCCCCNC(=O)CC(=O)N 527a_100000229939_100134613110 [0,2,0,0,0,0|1,0,1]=4 1903 B14R0.391 CCCCCCCNCC(=O)NC(=O)N 2230a_100000229938_100000182717 [0,2,0,0,0,0|2,0,0]=4 1904 B14R0.391 CCCCCCCNCC(O)CC(=O)O 269956a_100011218706_100000210614 [0,2,0,0,0,0|0,0,2]=4 1905 B14R0.391 CCCCCCCOCC(=O)NC(=O)C 7a_100000210272_100000183797 [0,2,0,0,0,0|2,0,0]=4 1906 B14R0.391 CCCCCCCOCC(=O)NC(=O)N 7a_100000210272_100000182717 [0,2,0,0,0,0|2,0,0]=4 1907 B14R0.391 CCCCCCCSCC(=O)NC(=O)C 62a_100000210614_100000183797 [0,2,0,0,0,0|2,0,0]=4 1908 B14R0.391 CCCCCCCSCC(=O)NC(=O)N 62a_100000210614_100000182717 [0,2,0,0,0,0|2,0,0]=4 1909 B14R0.391 CCCCCCNCCC(=O)NC(=O)N 2230a_100000210581_100000237605 [0,2,0,0,0,0|2,0,0]=4 1910 B14R0.391 CCCCCCOCCC(=O)NC(=O)N 7a_100000210259_100000237605 [0,2,0,0,0,0|2,0,0]=4 1911 B14R0.391 CCCCCCSCCC(=O)NC(=O)N 62a_100000210314_100000237605 [0,2,0,0,0,0|2,0,0]=4 1912 B14R0.391 CN(CCCCCCCCO)CC(=O)O 269956a_100000746989_100000033203 [0,2,0,0,0,0|1,0,1]=4 1913 B14R0.391 NC(=O)CC(=O)CCCCCCCCO 1458a_100134613110_100000033203 [0,2,0,0,0,0|1,0,1]=4 1914 B14R0.391 O=C(C=C(Cl)Cl)CCCCCCCCO 1458a_100000137448_100000033203 [0,2,0,0,0,0|2,0,0]=4 1915 B14R0.394 C=CCCCCCCCCNCC(=O)O 269956a_100016091260_100011933949 [0,2,0,0,0,0|1,0,1]=4 1916 B14R0.394 CCC#CCCCCCCNCC(=O)O 269956a_100016091260_200000036426 [0,2,0,0,0,0|1,0,1]=4 1917 B14R0.394 CCCCCCCC=CC=NNC(=O)C 4a_100000189765_200016991098 [0,2,0,0,0,0|1,0,1]=4 1918 B14R0.394 CCCCCCCCCC=NNC(=O)C 4a_100000189765_100000210895 [0,2,0,0,0,0|1,0,1]=4 1919 B14R0.394 CCCCCCCCCCNCC(=O)O 269956a_100016091260_100000210320 [0,2,0,0,0,0|0,0,2]=4 1920 B14R0.394 CCCCCCCCCNOCC(=O)O 269956a_100000106656_100000210670 [0,2,0,0,0,0|0,0,2]=4 1921 B14R0.394 CCCCCCCCNC/C=C/B(O)O 2230a_100000229939_100016262062 [0,2,0,0,0,0|1,0,1]=4 1922 B14R0.394 CCCCCCCCNC/C=C/B(O)O 34a_100000229939_100016262062 [0,2,0,0,0,0|1,0,1]=4 1923 B14R0.394 CCCCCCCCOC/C=C/B(O)O 34a_100000210232_100016262062 [0,2,0,0,0,0|1,0,1]=4 1924 B14R0.394 CCCCCCCCOC/C=C/B(O)O 7a_100000210232_100016262062 [0,2,0,0,0,0|1,0,1]=4 1925 B14R0.394 CCCCCCCCSC/C=C/B(O)O 62a_100000210759_100016262062 [0,2,0,0,0,0|1,0,1]=4 1926 B14R0.394 CCCCCCCCSC/C=C/B(O)O 62a_100016262062_100000210317 [0,2,0,0,0,0|1,0,1]=4 1927 B14R0.394 CCCCCCCNCCOCC(=O)O 269956a_100000700818_100000210614 [0,2,0,0,0,0|0,0,2]=4 1928 B14R0.394 CCCCCCNCCC/C=C/B(O)O 2230a_100000210581_200016261450 [0,2,0,0,0,0|1,0,1]=4 1929 B14R0.394 CCCCCCOCCC/C=C/B(O)O 34a_100000210259_200016261450 [0,2,0,0,0,0|1,0,1]=4 1930 B14R0.394 CCCCCCOCCC/C=C/B(O)O 7a_100000210259_200016261450 [0,2,0,0,0,0|1,0,1]=4 1931 B14R0.394 CCCCCCSCCC/C=C/B(O)O 62a_100000210314_200016261450 [0,2,0,0,0,0|1,0,1]=4 1932 B14R0.394 CCCCCCSCCC/C=C/B(O)O 62a_200016261450_100000210757 [0,2,0,0,0,0|1,0,1]=4 1933 B14R0.394 CCCCCNCCOC/C=C/B(O)O 34a_100000224656_100016262062 [0,2,0,0,0,0|1,0,1]=4 1934 B14R0.394 CCCCCOCCOC/C=C/B(O)O 34a_100011215259_100016262062 [0,2,0,0,0,0|1,0,1]=4 1935 B14R0.394 CCCCCOCCOC/C=C/B(O)O 7a_100011215259_100016262062 [0,2,0,0,0,0|1,0,1]=4 1936 B14R0.394 CCCCNCCOCCOCC(=O)O 269956a_100009854275_100000210211 [0,2,0,0,0,0|1,0,1]=4 1937 B14R0.394 CCCCOCCCNC/C=C/B(O)O 2230a_200000211371_100016262062 [0,2,0,0,0,0|1,0,1]=4 1938 B14R0.394 CCCCOCCCNC/C=C/B(O)O 34a_200000211371_100016262062 [0,2,0,0,0,0|1,0,1]=4 1939 B14R0.394 CCCCOCCCOC/C=C/B(O)O 34a_200011215613_100016262062 [0,2,0,0,0,0|1,0,1]=4 1940 B14R0.394 CCCCOCCCOC/C=C/B(O)O 7a_200011215613_100016262062 [0,2,0,0,0,0|1,0,1]=4 1941 B14R0.394 CCCCOCCNCCOCC(=O)O 269956a_100000700818_100000743108 [0,2,0,0,0,0|1,0,1]=4 1942 B14R0.394 CCCCOCSCCC/C=C/B(O)O 62a_100011995733_200016261450 [0,2,0,0,0,0|1,0,1]=4 1943 B14R0.394 CCCCOCSCCC/C=C/B(O)O 62a_200016261450_100011995733 [0,2,0,0,0,0|1,0,1]=4 1944 B14R0.394 CCCOCCNCCC/C=C/B(O)O 2230a_100161115042_200016261450 [0,2,0,0,0,0|1,0,1]=4 1945 B14R0.394 CCCOCCNCCC/C=C/B(O)O 34a_100161115042_200016261450 [0,2,0,0,0,0|1,0,1]=4 1946 B14R0.394 CCCOCCOCCC/C=C/B(O)O 34a_100000752267_200016261450 [0,2,0,0,0,0|1,0,1]=4 1947 B14R0.394 CCCOCCOCCC/C=C/B(O)O 7a_100000752267_200016261450 [0,2,0,0,0,0|1,0,1]=4 1948 B14R0.394 CCCOCCSCCC/C=C/B(O)O 62a_100011215938_200016261450 [0,2,0,0,0,0|1,0,1]=4 1949 B14R0.394 CCCOCCSCCC/C=C/B(O)O 62a_200016261450_100011215938 [0,2,0,0,0,0|1,0,1]=4 1950 B14R0.394 CCCSCCNCCC/C=C/B(O)O 2230a_100020603323_200016261450 [0,2,0,0,0,0|1,0,1]=4 1951 B14R0.394 CCCSCCOCCC/C=C/B(O)O 34a_200000230433_200016261450 [0,2,0,0,0,0|1,0,1]=4 1952 B14R0.394 CCCSCCOCCC/C=C/B(O)O 7a_200000230433_200016261450 [0,2,0,0,0,0|1,0,1]=4 1953 B14R0.394 CCOCCCNCCC/C=C/B(O)O 2230a_100000210961_200016261450 [0,2,0,0,0,0|1,0,1]=4 1954 B14R0.394 CCOCCCNCCC/C=C/B(O)O 34a_100000210961_200016261450 [0,2,0,0,0,0|1,0,1]=4 1955 B14R0.394 CCOCCCOCCC/C=C/B(O)O 34a_100000757476_200016261450 [0,2,0,0,0,0|1,0,1]=4 1956 B14R0.394 CCOCCCOCCC/C=C/B(O)O 7a_100000757476_200016261450 [0,2,0,0,0,0|1,0,1]=4 1957 B14R0.394 CCOCCCSCCC/C=C/B(O)O 62a_100012232248_200016261450 [0,2,0,0,0,0|1,0,1]=4 1958 B14R0.394 CCOCCCSCCC/C=C/B(O)O 62a_200016261450_100012232248 [0,2,0,0,0,0|1,0,1]=4 1959 B14R0.394 CCSCCCOCCC/C=C/B(O)O 34a_100011216438_200016261450 [0,2,0,0,0,0|1,0,1]=4 1960 B14R0.394 CCSCCCOCCC/C=C/B(O)O 7a_100011216438_200016261450 [0,2,0,0,0,0|1,0,1]=4 1961 B14R0.394 COCCCCCCOC/C=C/B(O)O 34a_200012092642_100016262062 [0,2,0,0,0,0|1,0,1]=4 1962 B14R0.394 COCCCCCCOC/C=C/B(O)O 7a_200012092642_100016262062 [0,2,0,0,0,0|1,0,1]=4 1963 B14R0.394 COCCCCCCSC/C=C/B(O)O 62a_100011998445_100016262062 [0,2,0,0,0,0|1,0,1]=4 1964 B14R0.394 COCCCCCCSC/C=C/B(O)O 62a_100016262062_100011998445 [0,2,0,0,0,0|1,0,1]=4 1965 B14R0.394 COCCCCOCCC/C=C/B(O)O 34a_100000740925_200016261450 [0,2,0,0,0,0|1,0,1]=4 1966 B14R0.394 COCCCCSCCC/C=C/B(O)O 62a_100000730899_200016261450 [0,2,0,0,0,0|1,0,1]=4 1967 B14R0.394 COCCCCSCCC/C=C/B(O)O 62a_200016261450_100000730899 [0,2,0,0,0,0|1,0,1]=4 1968 B14R0.394 CSCCCCOCCC/C=C/B(O)O 34a_100011217163_200016261450 [0,2,0,0,0,0|1,0,1]=4 1969 B14R0.394 CSCCCCOCCC/C=C/B(O)O 7a_100011217163_200016261450 [0,2,0,0,0,0|1,0,1]=4 1970 B14R0.394 NCCCCCCCOC/C=C/B(O)O 34a_100011996573_100016262062 [0,2,0,0,0,0|1,0,1]=4 1971 B14R0.394 NCCCCCOCCC/C=C/B(O)O 34a_100000762737_200016261450 [0,2,0,0,0,0|1,0,1]=4 1972 B14R0.394 O=C(O)CNCCCCCCCCCO 269956a_100016091260_100009813782 [0,2,0,0,0,0|0,0,2]=4 1973 B14R0.394 O=C(O)COCCNCCCCCCF 269956a_100000700818_100015922095 [0,2,0,0,0,0|1,0,1]=4 1974 B14R0.394 O=C(O)COCCNCCCCCCO 269956a_100000700818_100000766143 [0,2,0,0,0,0|1,0,1]=4 1975 B14R0.394 O=C(O)CONCCCCCCCCO 269956a_100000106656_100000033203 [0,2,0,0,0,0|1,0,1]=4 1976 B14R0.394 OB(O)/C=C/CCCOCCCCCBr 34a_100000746331_200016261450 [0,2,0,0,0,0|1,0,1]=4 1977 B14R0.394 OB(O)/C=C/CCCOCCCCCBr 7a_100000746331_200016261450 [0,2,0,0,0,0|1,0,1]=4 1978 B14R0.394 OB(O)/C=C/CCCOCCCCCCl 34a_100000746330_200016261450 [0,2,0,0,0,0|1,0,1]=4 1979 B14R0.394 OB(O)/C=C/CCCOCCCCCCl 7a_100000746330_200016261450 [0,2,0,0,0,0|1,0,1]=4 1980 B14R0.394 OB(O)/C=C/CCCOCCCCCI 34a_200012148887_200016261450 [0,2,0,0,0,0|1,0,1]=4 1981 B14R0.394 OB(O)/C=C/CCCOCCCCCI 7a_200012148887_200016261450 [0,2,0,0,0,0|1,0,1]=4 1982 B14R0.394 OB(O)/C=C/CCCSCCCCCF 62a_100000729378_200016261450 [0,2,0,0,0,0|1,0,1]=4 1983 B14R0.394 OB(O)/C=C/CCCSCCCCCF 62a_200016261450_100000729378 [0,2,0,0,0,0|1,0,1]=4 1984 B14R0.394 OB(O)/C=C/COCCCCCCCBr 34a_100000760002_100016262062 [0,2,0,0,0,0|1,0,1]=4 1985 B14R0.394 OB(O)/C=C/COCCCCCCCBr 7a_100000760002_100016262062 [0,2,0,0,0,0|1,0,1]=4 1986 B14R0.394 OCCCCCCCNC/C=C/B(O)O 2230a_100011996573_100016262062 [0,2,0,0,0,0|1,0,1]=4 1987 B14R0.394 OCCCCCCCNC/C=C/B(O)O 34a_100011996573_100016262062 [0,2,0,0,0,0|1,0,1]=4 1988 B14R0.394 OCCCCCCCSC/C=C/B(O)O 62a_100000760002_100016262062 [0,2,0,0,0,0|1,0,1]=4 1989 B14R0.394 OCCCCCCCSC/C=C/B(O)O 62a_100016262062_100000760002 [0,2,0,0,0,0|1,0,1]=4 1990 B14R0.394 OCCCCCNCCC/C=C/B(O)O 2230a_100000762737_200016261450 [0,2,0,0,0,0|1,0,1]=4 1991 B14R0.394 OCCCCCNCCC/C=C/B(O)O 34a_100000762737_200016261450 [0,2,0,0,0,0|1,0,1]=4 1992 B14R0.394 OCCCCCSCCC/C=C/B(O)O 62a_100000746330_200016261450 [0,2,0,0,0,0|1,0,1]=4 1993 B14R0.394 OCCCCCSCCC/C=C/B(O)O 62a_200016261450_100000746330 [0,2,0,0,0,0|1,0,1]=4 1994 B14R0.432 CCCC(C)CCCOC/C=C/B(O)O 34a_100011713154_100016262062 [0,2,0,0,0,0|1,0,1]=4 1995 B14R0.432 CCCC(C)CCCOC/C=C/B(O)O 7a_100011713154_100016262062 [0,2,0,0,0,0|1,0,1]=4 1996 B14R0.432 CCCC(C)COCCC/C=C/B(O)O 34a_100000688023_200016261450 [0,2,0,0,0,0|1,0,1]=4 1997 B14R0.432 CCCC(C)COCCC/C=C/B(O)O 7a_100000688023_200016261450 [0,2,0,0,0,0|1,0,1]=4 1998 B14R0.432 CCCC(C)CSCCC/C=C/B(O)O 62a_100011216630_200016261450 [0,2,0,0,0,0|1,0,1]=4 1999 B14R0.432 CCCC(C)CSCCC/C=C/B(O)O 62a_200016261450_100011216630 [0,2,0,0,0,0|1,0,1]=4 2000 B14R0.432 CCC[C@H](N)COCCC/C=C/B(O)O 34a_100000732646_200016261450 [0,2,0,0,0,0|1,0,1]=4 2001 B14R0.2224 CCCCCCC(C)NC/C=C/B(O)O 2230a_100000210919_100016262062 [0,2,0,0,0,0|1,0,1]=4 2002 B14R0.2224 CCCCCCC(C)NC/C=C/B(O)O 34a_100000210919_100016262062 [0,2,0,0,0,0|1,0,1]=4 2003 B14R0.2224 CCCCCCC(C)OC/C=C/B(O)O 34a_100000210265_100016262062 [0,2,0,0,0,0|1,0,1]=4 2004 B14R0.2224 CCCCCCC(C)OC/C=C/B(O)O 7a_100000210265_100016262062 [0,2,0,0,0,0|1,0,1]=4 2005 B14R0.2224 CCCCCCC(C)SC/C=C/B(O)O 62a_100011215978_100016262062 [0,2,0,0,0,0|1,0,1]=4 2006 B14R0.2224 CCCCCCC(C)SC/C=C/B(O)O 62a_100016262062_100011215978 [0,2,0,0,0,0|1,0,1]=4 2007 B14R0.32 CCCC(C)CCOC/C=C/C(=O)OC 34a_100011217855_100000742655 [0,2,0,0,0,0|1,0,0]=3 2008 B14R0.32 CCCC(C)CCOC/C=C/C(=O)OC 7a_100011217855_100000742655 [0,2,0,0,0,0|1,0,0]=3 2009 B14R0.32 CCC[C@H](N)CCOC/C=C/C(=O)OC 34a_100015193777_100000742655 [0,2,0,0,0,0|1,0,0]=3 2010 B14R0.427 CC(C)CCCCCCC(=O)CC(=O)N 1458a_100000040743_100000187820 [0,2,0,0,0,0|1,0,1]=4 2011 B14R0.427 CC(C)CCCCCCC(=O)CC(=O)[O-] 1458a_100000040743_100020667443 [0,2,0,0,0,0|0,0,2]=4 2012 B14R0.152 CCCCC(C)COC/C=C/C(=O)OC 34a_100011995851_100000742655 [0,2,0,0,0,0|1,0,0]=3 2013 B14R0.152 CCCCC(C)COC/C=C/C(=O)OC 7a_100011995851_100000742655 [0,2,0,0,0,0|1,0,0]=3 2014 B14R0.152 CCCC[C@H](N)COC/C=C/C(=O)OC 34a_100011934283_100000742655 [0,2,0,0,0,0|1,0,0]=3 2015 B14R0.152 CCCOC(C)CNC/C=C/C(=O)OC 2230a_100015185124_100000742655 [0,2,0,0,0,0|2,0,0]=4 2016 B14R0.152 CCCOC(C)CNC/C=C/C(=O)OC 34a_100015185124_100000742655 [0,2,0,0,0,0|2,0,0]=4 2017 B14R0.152 CCOCC(O)CNC/C=C/C(=O)OC 2230a_102515437182_100000742655 [0,2,0,0,0,0|2,0,0]=4 2018 B14R0.152 CCOCC(O)CNC/C=C/C(=O)OC 34a_102515437182_100000742655 [0,2,0,0,0,0|2,0,0]=4 2019 B14R0.152 COC(=O)/C=C/CNC[C@H](C)CCCO 2230a_100160569302_100000742655 [0,2,0,0,0,0|2,0,0]=4 2020 B14R0.152 COC(=O)/C=C/CNC[C@H](C)CCCO 34a_100160569302_100000742655 [0,2,0,0,0,0|2,0,0]=4 2021 B14R0.152 COC(=O)/C=C/COC[C@@H](N)CCSC 34a_100011827619_100000742655 [0,2,0,0,0,0|2,0,0]=4 2022 B14R0.82 CCCCCCCCC(=O)C=C(C)CC 1458a_100020758463_100000210759 [0,2,0,0,0,0|2,0,0]=4 2023 B14R0.82 CCCCCCCCC(=O)CC(=O)CC 1458a_100000210188_100000747405 [0,2,0,0,0,0|1,0,1]=4 2024 B14R0.82 CCCCCCCCC(=O)CC(=O)NC 1458a_100000210188_100000183359 [0,2,0,0,0,0|1,0,1]=4 2025 B14R0.82 CCCCCCCCC(=O)CC(=O)OC 1458a_100000210188_100000747449 [0,2,0,0,0,0|0,0,1]=3 2026 B14R0.82 CCCCCCCCC(=O)CC(=O)OC 1458a_100000211351_100000210759 [0,2,0,0,0,0|0,0,1]=3 2027 B14R0.82 CCCCCCCCN(C)CC(=O)OC 2230a_100000198492_100000210759 [0,2,0,0,0,0|1,0,1]=4 2028 B14R0.82 CCCCCCCCN(C)CC(=O)OC 2230a_100000207567_100000747449 [0,2,0,0,0,0|1,0,1]=4 2029 B14R0.82 CCCCCCCCN(C)CC(=O)OC 269982a_100000207567_100000747449 [0,2,0,0,0,0|1,0,1]=4 2030 B14R0.82 CCCCCCCNC(=O)CC(=O)OC 240690a_100000229938_100000211351 [0,2,0,0,0,0|1,0,1]=4 2031 B14R0.82 CCCCCCSCC(=O)CC(=O)OC 62a_100000210314_100000210525 [0,2,0,0,0,0|1,0,1]=4 2032 B14R0.82 CCCCCCSCC(=O)CC(=O)OC 62a_100000210525_100000210757 [0,2,0,0,0,0|1,0,1]=4 2033 B14R0.82 CCCCCCSCC(=O)NC(=O)OC 62a_100000210314_100000010850 [0,2,0,0,0,0|2,0,0]=4 2034 B14R0.82 COC(=O)CC(=O)CCCCCCCO 1458a_100000211351_100000760002 [0,2,0,0,0,0|1,0,1]=4 2035 B14R0.82 COC(=O)CC(=O)CCCCCCCO 1458a_100011219782_100000747449 [0,2,0,0,0,0|1,0,1]=4 2036 B14R0.82 COCCCCCCC(=O)CC(=O)OC 1458a_100000211351_100011998445 [0,2,0,0,0,0|1,0,1]=4 2037 B14R0.140 CCCCCCCC(=O)C=CC(=O)NC 1458a_100016259477_100000210614 [0,2,0,0,0,0|1,0,1]=4 2038 B14R0.140 CCCCCCCC(C)OCC(=O)OC 34a_200011215852_100000747449 [0,2,0,0,0,0|1,0,1]=4 2039 B14R0.140 CCCCCCCC(C)OCC(=O)OC 7a_200011215852_100000747449 [0,2,0,0,0,0|1,0,1]=4 2040 B14R0.140 CCCCCCCC(C)SCC(=O)OC 62a_100000747449_200011218727 [0,2,0,0,0,0|1,0,1]=4 2041 B14R0.140 CCCCCCCC(C)SCC(=O)OC 62a_200011218727_100000747449 [0,2,0,0,0,0|1,0,1]=4 2042 B14R0.140 CCCCCCNC(=O)C=CC(=O)OC 1626a_100000210581_100016283253 [0,2,0,0,0,0|1,0,1]=4 2043 B14R0.181 C=C(COCCCCCCC)C(=O)OC 34a_100000210272_100009813391 [0,2,0,0,0,0|1,0,1]=4 2044 B14R0.181 C=C(CSCCCCCCC)C(=O)OC 62a_100000210614_100009813391 [0,2,0,0,0,0|1,0,1]=4 2045 B14R0.181 C=C(CSCCCCCCC)C(=O)OC 62a_100009813391_100000210316 [0,2,0,0,0,0|1,0,1]=4 2046 B14R0.181 CCCCCCCCCC(=O)C(=O)NC 1458a_100011218921_100000210670 [0,2,0,0,0,0|1,0,1]=4 2047 B14R0.181 CCCCCCCCCN(C)C(=O)CO 240690a_100000232482_100000210174 [0,2,0,0,0,0|1,0,1]=4 2048 B14R0.181 CCCCCCCCCN(C)C(=O)CO 527a_100000232482_100000210174 [0,2,0,0,0,0|1,0,1]=4 2049 B14R0.181 CCCCCCCCNC(=O)C(=O)NC 1626a_100000229939_100011218921 [0,2,0,0,0,0|2,0,0]=4 2050 B14R0.181 CCCCCCCCNC(=O)C(=O)NC 240690a_100000229939_100011218921 [0,2,0,0,0,0|2,0,0]=4 2051 B14R0.181 CCCCCCCCNC(=O)C(=O)NC 527a_100000229939_100011218921 [0,2,0,0,0,0|2,0,0]=4 2052 B14R0.181 CCCCCCCCNC(=O)C(=O)OC 11a_100000229939_100000024059 [0,2,0,0,0,0|1,0,0]=3 2053 B14R0.181 CCCCCCCCNC(=O)C(=O)OC 1626a_100000229939_100000024059 [0,2,0,0,0,0|1,0,0]=3 2054 B14R0.181 CCCCCCCCNC(=O)C(=O)OC 240690a_100000229939_100000024059 [0,2,0,0,0,0|1,0,0]=3 2055 B14R0.181 CCCCCCCCNC(=O)C(=O)OC 527a_100000229939_100000024059 [0,2,0,0,0,0|1,0,0]=3 2056 B14R0.181 CCCCCCCCNC(C)C(=O)OC 2230a_100000229939_100000211248 [0,2,0,0,0,0|1,0,1]=4 2057 B14R0.181 CCCCCCCCNC(C)C(=O)OC 34a_100000229939_100000211248 [0,2,0,0,0,0|1,0,1]=4 2058 B14R0.181 CCCCCCCCOC(C)C(=O)OC 34a_100000210232_100000211248 [0,2,0,0,0,0|1,0,1]=4 2059 B14R0.181 CCCCCCCCOC(C)C(=O)OC 34a_100011215400_100000210759 [0,2,0,0,0,0|1,0,1]=4 2060 B14R0.181 CCCCCCCCOC(C)C(=O)OC 7a_100000210232_100000211248 [0,2,0,0,0,0|1,0,1]=4 2061 B14R0.181 CCCCCCCCSC(C)C(=O)OC 62a_100000210759_100000211248 [0,2,0,0,0,0|1,0,1]=4 2062 B14R0.181 CCCCCCCCSC(C)C(=O)OC 62a_100000211248_100000210317 [0,2,0,0,0,0|1,0,1]=4 2063 B14R0.181 CCCCCCCOCC(=O)C(=O)OC 34a_100000210272_100011610305 [0,2,0,0,0,0|1,0,1]=4 2064 B14R0.181 CCCCCCCSCC(=O)C(=O)OC 62a_100000210614_100011610305 [0,2,0,0,0,0|1,0,1]=4 2065 B14R0.181 CCCCCCCSCC(=O)C(=O)OC 62a_100011610305_100000210316 [0,2,0,0,0,0|1,0,1]=4 2066 B14R0.181 CCCCOCCCNC(=O)C(=O)OC 1626a_200000211371_100000024059 [0,2,0,0,0,0|2,0,0]=4 2067 B14R0.181 CCCCOCCCNC(=O)C(=O)OC 240690a_200000211371_100000024059 [0,2,0,0,0,0|2,0,0]=4 2068 B14R0.181 CCCCOCCCNC(=O)C(=O)OC 527a_200000211371_100000024059 [0,2,0,0,0,0|2,0,0]=4 2069 B14R0.181 COC(=O)C(=O)NCCCCCCCO 240690a_100011996573_100000024059 [0,2,0,0,0,0|2,0,0]=4 2070 B14R0.197 CCC(C)CCCCCOCC(=O)OC 7a_200000035636_100000747449 [0,2,0,0,0,0|1,0,1]=4 2071 B14R0.197 CCC(C)CCCOC/C=C/C(=O)OC 7a_100011216074_100000742655 [0,2,0,0,0,0|1,0,0]=3 2072 B14R0.197 CCN(C)CCCSC/C=C/C(=O)OC 62a_100000742655_100015186262 [0,2,0,0,0,0|2,0,0]=4 2073 B14R0.197 COC(=O)/C=C/COCCC[C@@H](C)CN 34a_100160569302_100000742655 [0,2,0,0,0,0|2,0,0]=4 2074 B14R0.226 CCCCCC(C)NC/C=C/C(=O)OC 2230a_100000211957_100000742655 [0,2,0,0,0,0|1,0,0]=3 2075 B14R0.226 CCCCCC(C)OC/C=C/C(=O)OC 34a_100011215632_100000742655 [0,2,0,0,0,0|1,0,0]=3 2076 B14R0.226 CCCCCC(C)OC/C=C/C(=O)OC 7a_100011215632_100000742655 [0,2,0,0,0,0|1,0,0]=3 2077 B14R0.226 CCCCCC(C)SC/C=C/C(=O)OC 62a_100000742655_200011218191 [0,2,0,0,0,0|1,0,0]=3 2078 B14R0.226 CCCCCC(C)SC/C=C/C(=O)OC 62a_200011218191_100000742655 [0,2,0,0,0,0|1,0,0]=3 2079 B14R0.226 COCCCC(C)OC/C=C/C(=O)OC 34a_200011539412_100000742655 [0,2,0,0,0,0|2,0,0]=4 2080 B14R0.226 COCCCC(C)OC/C=C/C(=O)OC 7a_200011539412_100000742655 [0,2,0,0,0,0|2,0,0]=4 2081 B14R0.393 C#CCC(=O)C=CCCCCCCCC 1458a_100015345288_100000184674 [0,2,0,0,0,0|1,0,0]=3 2082 B14R0.393 C=CCC(=O)C=CCCCCCCCC 1458a_100015345288_100000210623 [0,2,0,0,0,0|1,0,0]=3 2083 B14R0.393 C=COC(=O)CNCCCCCCCC 2230a_100000229939_100000036128 [0,2,0,0,0,0|1,0,1]=4 2084 B14R0.393 C=COC(=O)CNCCCCCCCC 34a_100000229939_100000036128 [0,2,0,0,0,0|1,0,1]=4 2085 B14R0.393 C=COC(=O)COCCCCCCCC 34a_100000210232_100000036128 [0,2,0,0,0,0|1,0,1]=4 2086 B14R0.393 C=COC(=O)CSCCCCCCCC 62a_100000036128_100000210317 [0,2,0,0,0,0|1,0,1]=4 2087 B14R0.393 C=COC(=O)CSCCCCCCCC 62a_100000210759_100000036128 [0,2,0,0,0,0|1,0,1]=4 2088 B14R0.393 CCCCCCCCC=CC(=O)CC#N 1458a_100015345288_100011214920 [0,2,0,0,0,0|1,0,0]=3 2089 B14R0.393 CCCCCCCCC=CC(=O)CCC 1458a_100015345288_100000210303 [0,2,0,0,0,0|1,0,0]=3 2090 B14R0.393 CCCCCCCCC=CC(=O)CCF 1458a_100015345288_100011217306 [0,2,0,0,0,0|1,0,0]=3 2091 B14R0.393 CCCCCCCCC=CC(=O)CCO 1458a_100015345288_100000211926 [0,2,0,0,0,0|0,0,0]=2 2092 B14R0.393 CCCCCCCCC=CC(=O)NCC 11a_100015525214_100015345288 [0,2,0,0,0,0|1,0,0]=3 2093 B14R0.393 CCCCCCCCC=CC(=O)NCC 240690a_100015525214_100015345288 [0,2,0,0,0,0|1,0,0]=3 2094 B14R0.393 CCCCCCCCC=CC(=O)NNC 22a_100016993582_100015345288 [0,2,0,0,0,0|1,0,0]=3 2095 B14R0.393 CCCCCCCCCCC(=O)CCO 1458a_100000210375_100000211926 [0,2,0,0,0,0|0,0,2]=4 2096 B14R0.393 CCCCCCCCCCC(=O)CCO 1458a_100011216618_100000210319 [0,2,0,0,0,0|0,0,2]=4 2097 B14R0.393 CCCCCCCCCCC(=O)COC 1458a_100000210968_100000210319 [0,2,0,0,0,0|0,0,2]=4 2098 B14R0.393 CCCCCCCCCNC(=O)CCO 240690a_100000212291_100011216618 [0,2,0,0,0,0|1,0,1]=4 2099 B14R0.393 CCCCCCCCCNC(=O)COC 11a_100000212291_100000210968 [0,2,0,0,0,0|1,0,1]=4 2100 B14R0.393 CCCCCCCCCNC(=O)COC 1626a_100000212291_100000210968 [0,2,0,0,0,0|1,0,1]=4 2101 B14R0.393 CCCCCCCCCNC(=O)COC 240690a_100000212291_100000210968 [0,2,0,0,0,0|1,0,1]=4 2102 B14R0.393 CCCCCCCCCNC(=O)COC 527a_100000212291_100000210968 [0,2,0,0,0,0|1,0,1]=4 2103 B14R0.393 CCCCCCCCNCC(=O)NCO 2230a_100000229939_100000185155 [0,2,0,0,0,0|1,0,1]=4 2104 B14R0.393 CCCCCCCCNCC(=O)NCO 34a_100000229939_100000185155 [0,2,0,0,0,0|1,0,1]=4 2105 B14R0.393 CCCCCCCCNCC(=O)OCC 2230a_100000229939_100000188475 [0,2,0,0,0,0|1,0,1]=4 2106 B14R0.393 CCCCCCCCNCC(=O)OCC 34a_100000229939_100000188475 [0,2,0,0,0,0|1,0,1]=4 2107 B14R0.393 CCCCCCCCOCC(=O)CCO 1458a_100000759886_100000211926 [0,2,0,0,0,0|1,0,1]=4 2108 B14R0.393 CCCCCCCCOCC(=O)NCO 34a_100000210232_100000185155 [0,2,0,0,0,0|1,0,1]=4 2109 B14R0.393 CCCCCCCCOCC(=O)NCO 7a_100000210232_100000185155 [0,2,0,0,0,0|1,0,1]=4 2110 B14R0.393 CCCCCCCCOCC(=O)OCC 34a_100000210232_100000188475 [0,2,0,0,0,0|1,0,1]=4 2111 B14R0.393 CCCCCCCCOCC(=O)OCC 7a_100000210232_100000188475 [0,2,0,0,0,0|1,0,1]=4 2112 B14R0.393 CCCCCCCCSCC(=O)NCO 62a_100000185155_100000210317 [0,2,0,0,0,0|1,0,1]=4 2113 B14R0.393 CCCCCCCCSCC(=O)NCO 62a_100000210759_100000185155 [0,2,0,0,0,0|1,0,1]=4 2114 B14R0.393 CCCCCCCCSCC(=O)OCC 62a_100000188475_100000210317 [0,2,0,0,0,0|1,0,1]=4 2115 B14R0.393 CCCCCCCCSCC(=O)OCC 62a_100000210759_100000188475 [0,2,0,0,0,0|1,0,1]=4 2116 B14R0.393 CCCCCCNC/C=C/C(=O)OCC 2230a_100000210581_100016267167 [0,2,0,0,0,0|1,0,0]=3 2117 B14R0.393 CCCCCCOC/C=C/C(=O)OCC 34a_100000210259_100016267167 [0,2,0,0,0,0|1,0,0]=3 2118 B14R0.393 CCCCCCOC/C=C/C(=O)OCC 7a_100000210259_100016267167 [0,2,0,0,0,0|1,0,0]=3 2119 B14R0.393 CCCCCCSC/C=C/C(=O)OCC 62a_100000210314_100016267167 [0,2,0,0,0,0|1,0,0]=3 2120 B14R0.393 CCCCCCSC/C=C/C(=O)OCC 62a_100016267167_100000210757 [0,2,0,0,0,0|1,0,0]=3 2121 B14R0.393 CCCCOCSC/C=C/C(=O)OCC 62a_100011995733_100016267167 [0,2,0,0,0,0|2,0,0]=4 2122 B14R0.393 CCCCOCSC/C=C/C(=O)OCC 62a_100016267167_100011995733 [0,2,0,0,0,0|2,0,0]=4 2123 B14R0.393 CCCOCCNC/C=C/C(=O)OCC 2230a_100161115042_100016267167 [0,2,0,0,0,0|2,0,0]=4 2124 B14R0.393 CCCOCCNC/C=C/C(=O)OCC 34a_100161115042_100016267167 [0,2,0,0,0,0|2,0,0]=4 2125 B14R0.393 CCCOCCOC/C=C/C(=O)OCC 34a_100000752267_100016267167 [0,2,0,0,0,0|2,0,0]=4 2126 B14R0.393 CCCOCCOC/C=C/C(=O)OCC 7a_100000752267_100016267167 [0,2,0,0,0,0|2,0,0]=4 2127 B14R0.393 CCCOCCSC/C=C/C(=O)OCC 62a_100011215938_100016267167 [0,2,0,0,0,0|2,0,0]=4 2128 B14R0.393 CCCOCCSC/C=C/C(=O)OCC 62a_100016267167_100011215938 [0,2,0,0,0,0|2,0,0]=4 2129 B14R0.393 CCCSCCNC/C=C/C(=O)OCC 2230a_100020603323_100016267167 [0,2,0,0,0,0|2,0,0]=4 2130 B14R0.393 CCCSCCOC/C=C/C(=O)OCC 34a_200000230433_100016267167 [0,2,0,0,0,0|2,0,0]=4 2131 B14R0.393 CCCSCCOC/C=C/C(=O)OCC 7a_200000230433_100016267167 [0,2,0,0,0,0|2,0,0]=4 2132 B14R0.393 CCNC(=O)C=CCCCCCCCO 240690a_100015525214_100016988705 [0,2,0,0,0,0|2,0,0]=4 2133 B14R0.393 CCOC(=O)/C=C/CNCCCCCO 2230a_100000762737_100016267167 [0,2,0,0,0,0|2,0,0]=4 2134 B14R0.393 CCOC(=O)/C=C/CNCCCCCO 34a_100000762737_100016267167 [0,2,0,0,0,0|2,0,0]=4 2135 B14R0.393 CCOC(=O)/C=C/COCCCCCBr 34a_100000746331_100016267167 [0,2,0,0,0,0|2,0,0]=4 2136 B14R0.393 CCOC(=O)/C=C/COCCCCCBr 7a_100000746331_100016267167 [0,2,0,0,0,0|2,0,0]=4 2137 B14R0.393 CCOC(=O)/C=C/COCCCCCCl 34a_100000746330_100016267167 [0,2,0,0,0,0|2,0,0]=4 2138 B14R0.393 CCOC(=O)/C=C/COCCCCCCl 7a_100000746330_100016267167 [0,2,0,0,0,0|2,0,0]=4 2139 B14R0.393 CCOC(=O)/C=C/COCCCCCI 34a_200012148887_100016267167 [0,2,0,0,0,0|2,0,0]=4 2140 B14R0.393 CCOC(=O)/C=C/COCCCCCI 7a_200012148887_100016267167 [0,2,0,0,0,0|2,0,0]=4 2141 B14R0.393 CCOC(=O)/C=C/COCCCCCN 34a_100000762737_100016267167 [0,2,0,0,0,0|2,0,0]=4 2142 B14R0.393 CCOC(=O)/C=C/COCCCCOC 34a_100000740925_100016267167 [0,2,0,0,0,0|2,0,0]=4 2143 B14R0.393 CCOC(=O)/C=C/COCCCCSC 34a_100011217163_100016267167 [0,2,0,0,0,0|2,0,0]=4 2144 B14R0.393 CCOC(=O)/C=C/COCCCCSC 7a_100011217163_100016267167 [0,2,0,0,0,0|2,0,0]=4 2145 B14R0.393 CCOC(=O)/C=C/COCCCSCC 34a_100011216438_100016267167 [0,2,0,0,0,0|2,0,0]=4 2146 B14R0.393 CCOC(=O)/C=C/COCCCSCC 7a_100011216438_100016267167 [0,2,0,0,0,0|2,0,0]=4 2147 B14R0.393 CCOC(=O)/C=C/CSCCCCCF 62a_100000729378_100016267167 [0,2,0,0,0,0|2,0,0]=4 2148 B14R0.393 CCOC(=O)/C=C/CSCCCCCF 62a_100016267167_100000729378 [0,2,0,0,0,0|2,0,0]=4 2149 B14R0.393 CCOC(=O)/C=C/CSCCCCCO 62a_100000746330_100016267167 [0,2,0,0,0,0|2,0,0]=4 2150 B14R0.393 CCOC(=O)/C=C/CSCCCCCO 62a_100016267167_100000746330 [0,2,0,0,0,0|2,0,0]=4 2151 B14R0.393 CCOC(=O)/C=C/CSCCCCOC 62a_100000730899_100016267167 [0,2,0,0,0,0|2,0,0]=4 2152 B14R0.393 CCOC(=O)/C=C/CSCCCCOC 62a_100016267167_100000730899 [0,2,0,0,0,0|2,0,0]=4 2153 B14R0.393 CCOCCCNC/C=C/C(=O)OCC 2230a_100000210961_100016267167 [0,2,0,0,0,0|2,0,0]=4 2154 B14R0.393 CCOCCCNC/C=C/C(=O)OCC 34a_100000210961_100016267167 [0,2,0,0,0,0|2,0,0]=4 2155 B14R0.393 CCOCCCOC/C=C/C(=O)OCC 34a_100000757476_100016267167 [0,2,0,0,0,0|2,0,0]=4 2156 B14R0.393 CCOCCCOC/C=C/C(=O)OCC 7a_100000757476_100016267167 [0,2,0,0,0,0|2,0,0]=4 2157 B14R0.393 CCOCCCSC/C=C/C(=O)OCC 62a_100012232248_100016267167 [0,2,0,0,0,0|2,0,0]=4 2158 B14R0.393 CCOCCCSC/C=C/C(=O)OCC 62a_100016267167_100012232248 [0,2,0,0,0,0|2,0,0]=4 2159 B14R0.393 CNNC(=O)C=CCCCCCCCO 22a_100016993582_100016988705 [0,2,0,0,0,0|2,0,0]=4 2160 B14R0.92 CCCCCCCC(C)N[C@@H](C)C(=O)O 269956a_100000743915_200011218727 [0,2,0,0,0,0|1,0,1]=4 2161 B14R0.178 CCCCCCCCC(=O)C(C)C(=O)C 1458a_100000210188_100000179758 [0,2,0,0,0,0|1,0,1]=4 2162 B14R0.178 CCCCCCCCC(=O)C(C)C(=O)N 1458a_100000210188_100000702099 [0,2,0,0,0,0|1,0,1]=4 2163 B14R0.178 CCCCCCCCC(=O)C(F)C(=O)N 1458a_100000210188_100009813875 [0,2,0,0,0,0|1,0,1]=4 2164 B14R0.178 CCCCCCCCC(=O)C(F)C(=O)[O-] 1458a_100000210188_100020610796 [0,2,0,0,0,0|0,0,2]=4 2165 B14R0.178 CCCCCCCCN(C)C(=O)C(=O)N 240690a_100000207567_100011215815 [0,2,0,0,0,0|2,0,0]=4 2166 B14R0.178 CCCCCCCCN(C)C(C)C(=O)O 269956a_100000749554_100000210759 [0,2,0,0,0,0|1,0,1]=4 2167 B14R0.488 C=C[C@H](NCCCCCCCC)C(=O)O 269956a_100016992060_100000210759 [0,2,0,0,0,0|1,0,1]=4 2168 B14R0.488 CCCCCCCCNC(CO)C(=O)O 269956a_100000187304_100000210759 [0,2,0,0,0,0|1,0,1]=4 2169 B14R0.488 CCCCCCCCN[C@H](CC)C(=O)O 269956a_100000747097_100000210759 [0,2,0,0,0,0|1,0,1]=4 2170 B14R0.549 CC(C)CCCCCCNC(=O)C(=O)N 240690a_100000211014_100011215815 [0,2,0,0,0,0|2,0,0]=4 2171 B14R0.138 CCCCCCCC(C)C(=O)C=C(C)C 1458a_100000211388_200011218727 [0,2,0,0,0,0|2,0,0]=4 2172 B14R0.138 CCCCCCCC(C)C(=O)C=C(C)Cl 1458a_200042562850_200011218727 [0,2,0,0,0,0|2,0,0]=4 2173 B14R0.138 CCCCCCCC(C)C(=O)C=C(C)I 1458a_100025716642_200011218727 [0,2,0,0,0,0|2,0,0]=4 2174 B14R0.138 CCCCCCCC(C)C(=O)C=C(Cl)Cl 1458a_100000137448_200011218727 [0,2,0,0,0,0|2,0,0]=4 2175 B14R0.138 CCCCCCCC(C)C(=O)CC(=O)N 1458a_100134613110_200011218727 [0,2,0,0,0,0|1,0,1]=4 2176 B14R0.138 CCCCCCCC(C)N(C)CC(=O)O 269956a_100000746989_200011218727 [0,2,0,0,0,0|1,0,1]=4 2177 B14R0.1092 CCCCCCCC(C)(C)NCC(=O)O 269956a_100016091260_200000046972 [0,2,0,0,0,0|1,0,1]=4 2178 B14R0.227 CCCCCC(C)CCC(=O)CC(=O)N 1458a_100000034243_100000187820 [0,2,0,0,0,0|1,0,1]=4 2179 B14R0.227 CCCCCC(C)CCC(=O)CC(=O)[O-] 1458a_100000034243_100020667443 [0,2,0,0,0,0|0,0,2]=4 2180 B14R0.489 CCCCCCCCN(CC)CC(=O)O 269956a_100000746405_100000210759 [0,2,0,0,0,0|1,0,1]=4 2181 B12R1.8 CCCCOCC1CCC=CO1 34a_100011217868_100000210210 [1,0,0,1,0,0|1,0,1]=4 2182 B12R1.8 O=CCNCCC1CCCCC1 2230a_100000738074_200015260668 [1,0,0,1,0,0|1,0,1]=4 2183 B12R1.8 O=CCNCCC1CCCCC1 34a_100000738074_200009817547 [1,0,0,1,0,0|1,0,1]=4 2184 B12R1.8 O=CCOCCC1CCCCC1 34a_100011217863_200009817547 [1,0,0,1,0,0|1,0,1]=4 2185 B12R1.8 O=CCOCCC1CCCCC1 7a_100011217863_200015260668 [1,0,0,1,0,0|1,0,1]=4 2186 B12R1.8 O=CCSCCC1CCCCC1 62a_100012355289_200015260668 [1,0,0,1,0,0|1,0,1]=4 2187 B12R1.8 O=CCSCCC1CCCCC1 62a_200015260668_100012355289 [1,0,0,1,0,0|1,0,1]=4 2188 B12R1.37 CCCCCCSc1ccco1 62a_100000210314_100009814098 [1,0,0,1,0,0|1,0,1]=4 2189 B12R1.37 CCCCCCSc1ccco1 62a_100009814098_100000210757 [1,0,0,1,0,0|1,0,1]=4 2190 B12R1.37 CCCCCNCc1ccco1 207a_100000209983_100000186105 [1,0,0,1,0,0|1,0,1]=4 2191 B12R1.37 CCCCCNCc1ccco1 2230a_100000185738_100000210326 [1,0,0,1,0,0|1,0,1]=4 2192 B12R1.37 CCCCCNCc1ccco1 270004a_100000209983_100000186105 [1,0,0,1,0,0|1,0,1]=4 2193 B12R1.37 CCCCCNCc1ccco1 34a_100000185738_100000718602 [1,0,0,1,0,0|1,0,1]=4 2194 B12R1.37 CCCCCOCc1ccco1 34a_100000210059_100000718602 [1,0,0,1,0,0|1,0,1]=4 2195 B12R1.37 CCCCNCCc1ccco1 2230a_100000694680_100000210211 [1,0,0,1,0,0|1,0,1]=4 2196 B12R1.37 CCCCNCCc1ccco1 34a_100000694680_100000210210 [1,0,0,1,0,0|1,0,1]=4 2197 B12R1.37 O=CCNCCCC1CCCC1 2230a_100000736752_200015260668 [1,0,0,1,0,0|1,0,1]=4 2198 B12R1.37 O=CCNCCCC1CCCC1 34a_100000736752_200009817547 [1,0,0,1,0,0|1,0,1]=4 2199 B12R1.37 O=CCOCCCC1CCCC1 34a_100011215328_200009817547 [1,0,0,1,0,0|1,0,1]=4 2200 B12R1.37 O=CCOCCCC1CCCC1 7a_100011215328_200015260668 [1,0,0,1,0,0|1,0,1]=4 2201 B12R1.37 O=CCSCCCC1CCCC1 62a_100011713738_200015260668 [1,0,0,1,0,0|1,0,1]=4 2202 B12R1.37 O=CCSCCCC1CCCC1 62a_200015260668_100011713738 [1,0,0,1,0,0|1,0,1]=4 2203 B12R1.121 CCC1CCCCC1OCC=O 34a_100000210738_200009817547 [1,0,0,1,0,0|1,0,1]=4 2204 B12R1.121 CCC1CCCCC1OCC=O 7a_100000210738_200015260668 [1,0,0,1,0,0|1,0,1]=4 2205 B12R1.169 CCCC1CCCCN1CC=O 2230a_100000701414_200015260668 [1,0,0,1,0,0|1,0,1]=4 2206 B12R1.169 CCCC1CCCCN1CC=O 269982a_100000701414_200015260668 [1,0,0,1,0,0|1,0,1]=4 2207 B12R1.169 CCCC1CCCCN1CC=O 34a_100000701414_200009817547 [1,0,0,1,0,0|1,0,1]=4 2208 B12R1.173 O=CCN1CCCCCCCC1 2230a_100000039187_200015260668 [1,0,0,1,0,0|1,0,1]=4 2209 B12R1.173 O=CCN1CCCCCCCC1 269982a_100000039187_200015260668 [1,0,0,1,0,0|1,0,1]=4 2210 B12R1.173 O=CCN1CCCCCCCC1 34a_100000039187_200009817547 [1,0,0,1,0,0|1,0,1]=4 2211 B12R1.329 O=CCNC1CCCCCCC1 2230a_100000211152_200015260668 [1,0,0,1,0,0|1,0,1]=4 2212 B12R1.329 O=CCNC1CCCCCCC1 34a_100000211152_200009817547 [1,0,0,1,0,0|1,0,1]=4 2213 B12R1.329 O=CCOC1CCCCCCC1 34a_100000210054_200009817547 [1,0,0,1,0,0|1,0,1]=4 2214 B12R1.329 O=CCOC1CCCCCCC1 7a_100000210054_200015260668 [1,0,0,1,0,0|1,0,1]=4 2215 B12R1.1414 O=CCNCC1CCCCCC1 2230a_100015204231_200015260668 [1,0,0,1,0,0|1,0,1]=4 2216 B12R1.1414 O=CCNCC1CCCCCC1 34a_100015204231_200009817547 [1,0,0,1,0,0|1,0,1]=4 2217 B12R1.1414 O=CCOCC1CCCCCC1 34a_100000699130_200009817547 [1,0,0,1,0,0|1,0,1]=4 2218 B12R1.1414 O=CCOCC1CCCCCC1 7a_100000699130_200015260668 [1,0,0,1,0,0|1,0,1]=4 2219 B12R1.1414 O=CCSCC1CCCCCC1 62a_200000696569_200015260668 [1,0,0,1,0,0|1,0,1]=4 2220 B12R1.1414 O=CCSCC1CCCCCC1 62a_200015260668_200000696569 [1,0,0,1,0,0|1,0,1]=4 2221 B12R1.7 CCCCCCc1ccc(s1)O 271570a_203496583355_100009817186 [1,0,0,1,0,0|0,1,1]=4 2222 B12R1.7 CCCCCOC1COC(=O)O1 34a_100000210253_100000032252 [1,0,0,1,0,0|2,0,0]=4 2223 B12R1.7 CCCCCSC1COC(=O)O1 62a_100000210326_100000032252 [1,0,0,1,0,0|2,0,0]=4 2224 B12R1.7 CCCCNCC1CNC(=O)O1 2230a_100000102301_100000181169 [1,0,0,1,0,0|2,0,0]=4 2225 B12R1.7 CCCCNCC1CNC(=O)O1 7a_106832991798_100000181169 [1,0,0,1,0,0|2,0,0]=4 2226 B12R1.7 CCCCOCC1CNC(=O)O1 34a_100000210227_100000181169 [1,0,0,1,0,0|2,0,0]=4 2227 B12R1.7 CCCCOCC1CNC(=O)O1 34a_100011315639_100000210210 [1,0,0,1,0,0|2,0,0]=4 2228 B12R1.7 CCCCOCC1CNC(=O)O1 7a_100000210227_100000181169 [1,0,0,1,0,0|2,0,0]=4 2229 B12R1.7 CCCCOCC1COC(=O)O1 34a_100000210227_100000073702 [1,0,0,1,0,0|2,0,0]=4 2230 B12R1.7 CCCCSCC1CNC(=O)O1 62a_100000181169_100000210210 [1,0,0,1,0,0|2,0,0]=4 2231 B12R1.7 CCCCSCC1CNC(=O)O1 62a_100000210211_100000181169 [1,0,0,1,0,0|2,0,0]=4 2232 B12R1.7 CCCCSCC1COC(=O)O1 62a_100000073702_100000210210 [1,0,0,1,0,0|2,0,0]=4 2233 B12R1.7 CCCCSCC1COC(=O)O1 62a_100000210211_100000073702 [1,0,0,1,0,0|2,0,0]=4 2234 B12R1.125 CN1CCCCC1CCC(=O)O 269956a_100000694054_200000210301 [1,0,0,1,0,0|1,0,1]=4 2235 B12R1.125 [13CH3]N1CCCCC1CCC(=O)O 269956a_100000694054_200025704644 [1,0,0,1,0,0|1,0,1]=4 2236 B12R1.252 CC(=O)C=CCN1CCCCC1 1458a_100015232380_200000210301 [1,0,0,1,0,0|2,0,0]=4 2237 B12R1.252 CC(=O)CCCC1CCCCC1 1458a_100000070787_100011713725 [1,0,0,1,0,0|1,0,1]=4 2238 B12R1.252 CC(=O)CCCC1CCCCC1 1458a_100000211478_200000210301 [1,0,0,1,0,0|1,0,1]=4 2239 B12R1.252 CC(=O)NCCC1CCCCC1 11a_100000738074_100015343762 [1,0,0,1,0,0|2,0,0]=4 2240 B12R1.252 CC(=O)NCCC1CCCCC1 1626a_100000738074_100015343762 [1,0,0,1,0,0|2,0,0]=4 2241 B12R1.252 CC(=O)NCCC1CCCCC1 240690a_100000738074_100015343762 [1,0,0,1,0,0|2,0,0]=4 2242 B12R1.252 CC(=O)NCCC1CCCCC1 527a_100000738074_100103153847 [1,0,0,1,0,0|2,0,0]=4 2243 B12R1.252 O=C(O)CNCC1CCCCC1 269956a_100016091260_100000211423 [1,0,0,1,0,0|1,0,1]=4 2244 B12R1.252 [13CH3]C(=O)C=CCN1CCCCC1 1458a_100015232380_200025704644 [1,0,0,1,0,0|2,0,0]=4 2245 B12R1.252 [13CH3]C(=O)CCCC1CCCCC1 1458a_100000211478_200025704644 [1,0,0,1,0,0|1,0,1]=4 2246 B12R1.255 CC(=O)NCCCC1CCCC1 11a_100000736752_100015343762 [1,0,0,1,0,0|2,0,0]=4 2247 B12R1.255 CC(=O)NCCCC1CCCC1 1626a_100000736752_100015343762 [1,0,0,1,0,0|2,0,0]=4 2248 B12R1.255 CC(=O)NCCCC1CCCC1 240690a_100000736752_100015343762 [1,0,0,1,0,0|2,0,0]=4 2249 B12R1.255 CC(=O)NCCCC1CCCC1 527a_100000736752_100103153847 [1,0,0,1,0,0|2,0,0]=4 2250 B12R1.255 O=C(O)CNCCC1CCCC1 269956a_100016091260_100000760354 [1,0,0,1,0,0|1,0,1]=4 2251 B12R1.283 CCCC1CCCCN1C(=O)C 11a_100000701414_100015343762 [1,0,0,1,0,0|2,0,0]=4 2252 B12R1.283 CCCC1CCCCN1C(=O)C 1626a_100000701414_100015343762 [1,0,0,1,0,0|2,0,0]=4 2253 B12R1.283 CCCC1CCCCN1C(=O)C 240690a_100000701414_100015343762 [1,0,0,1,0,0|2,0,0]=4 2254 B12R1.283 CCCC1CCCCN1C(=O)C 527a_100000701414_100103153847 [1,0,0,1,0,0|2,0,0]=4 2255 B12R1.283 CCCN1CCCC[C@@H]1C(=O)O 269956a_100000763471_100000210207 [1,0,0,1,0,0|1,0,1]=4 2256 B12R1.283 CCN[C@@H]1CCCC[C@H]1C(=O)O 269956a_100009816435_100000210202 [1,0,0,1,0,0|1,0,1]=4 2257 B12R1.386 CCCCN1CCC[C@H]1C(=O)O 269956a_100000743916_100000210211 [1,0,0,1,0,0|1,0,1]=4 2258 B12R1.405 CCN1CCCCCC1C(=O)O 269956a_100000758484_100000210202 [1,0,0,1,0,0|1,0,1]=4 2259 B12R1.522 CCCCCN1CCC1C(=O)O 269956a_100000021838_100000210326 [1,0,0,1,0,0|1,0,1]=4 2260 B12R1.1335 CC(=O)N1CCCCCCCC1 11a_100000039187_100015343762 [1,0,0,1,0,0|2,0,0]=4 2261 B12R1.1335 CC(=O)N1CCCCCCCC1 1626a_100000039187_100015343762 [1,0,0,1,0,0|2,0,0]=4 2262 B12R1.1335 CC(=O)N1CCCCCCCC1 240690a_100000039187_100015343762 [1,0,0,1,0,0|2,0,0]=4 2263 B12R1.1335 CC(=O)N1CCCCCCCC1 527a_100000039187_100103153847 [1,0,0,1,0,0|2,0,0]=4 2264 B12R1.1343 CC(=O)NCC1CCCCCC1 11a_100015204231_100015343762 [1,0,0,1,0,0|2,0,0]=4 2265 B12R1.1343 CC(=O)NCC1CCCCCC1 1626a_100015204231_100015343762 [1,0,0,1,0,0|2,0,0]=4 2266 B12R1.1343 CC(=O)NCC1CCCCCC1 240690a_100015204231_100015343762 [1,0,0,1,0,0|2,0,0]=4 2267 B12R1.1343 CC(=O)NCC1CCCCCC1 527a_100015204231_100103153847 [1,0,0,1,0,0|2,0,0]=4 2268 B12R1.1343 O=C(O)CNC1CCCCCC1 269956a_100016091260_100011217769 [1,0,0,1,0,0|1,0,1]=4 2269 B12R1.1392 CC(=O)NC1CCCCCCC1 11a_100000211152_100015343762 [1,0,0,1,0,0|2,0,0]=4 2270 B12R1.1392 CC(=O)NC1CCCCCCC1 1626a_100000211152_100015343762 [1,0,0,1,0,0|2,0,0]=4 2271 B12R1.1392 CC(=O)NC1CCCCCCC1 240690a_100000211152_100015343762 [1,0,0,1,0,0|2,0,0]=4 2272 B12R1.1392 CC(=O)NC1CCCCCCC1 527a_100000211152_100103153847 [1,0,0,1,0,0|2,0,0]=4 2273 B14R1.1454 CC(=O)NN=CC1CCCCCCC1 4a_100000189765_100000765718 [0,1,0,1,0,0|2,0,0]=4 2274 B14R1.1454 OB(O)/C=C/CN1CCCCCCC1 2230a_100000211400_100016262062 [0,1,0,1,0,0|1,0,1]=4 2275 B14R1.1454 OB(O)/C=C/CN1CCCCCCC1 269982a_100000211400_100016262062 [0,1,0,1,0,0|1,0,1]=4 2276 B14R1.1454 OB(O)/C=C/CN1CCCCCCC1 34a_100000211400_100016262062 [0,1,0,1,0,0|1,0,1]=4 2277 B14R1.96 CCC1CCCCN1C/C=C/B(O)O 2230a_100000210034_100016262062 [0,1,0,1,0,0|1,0,1]=4 2278 B14R1.96 CCC1CCCCN1C/C=C/B(O)O 269982a_100000210034_100016262062 [0,1,0,1,0,0|1,0,1]=4 2279 B14R1.96 CCC1CCCCN1C/C=C/B(O)O 34a_100000210034_100016262062 [0,1,0,1,0,0|1,0,1]=4 2280 B14R1.122 CCCCCCCCc1nc(no1)C 270196a_100000212224_100000210188 [0,1,0,1,0,0|2,0,0]=4 2281 B14R1.122 CCCCCCCCc1noc(n1)C 270196a_100011215235_100000070787 [0,1,0,1,0,0|2,0,0]=4 2282 B14R1.122 CCCCCCCCc1noc(n1)O 270196a_100011215235_100015183105 [0,1,0,1,0,0|1,0,1]=4 2283 B14R1.122 CCCCCCCOC1COC(=O)O1 34a_100000210272_100000032252 [0,1,0,1,0,0|1,0,1]=4 2284 B14R1.122 CCCCCCCSC1COC(=O)O1 62a_100000210614_100000032252 [0,1,0,1,0,0|1,0,1]=4 2285 B14R1.122 CCCCCCCSc1cc(on1)C 62a_100000210614_100000716708 [0,1,0,1,0,0|2,0,0]=4 2286 B14R1.122 CCCCCCCSc1cc(on1)C 62a_100000716708_100000210316 [0,1,0,1,0,0|2,0,0]=4 2287 B14R1.122 CCCCCCNCC1CNC(=O)O1 2230a_100000210581_100000181169 [0,1,0,1,0,0|1,0,1]=4 2288 B14R1.122 CCCCCCNCc1cc(co1)Br 270004a_100000210581_100000747035 [0,1,0,1,0,0|2,0,0]=4 2289 B14R1.122 CCCCCCNCc1cc(no1)Br 2230a_100015193020_100000210314 [0,1,0,1,0,0|2,0,0]=4 2290 B14R1.122 CCCCCCNCc1cc(no1)Br 270004a_100000210581_100009819588 [0,1,0,1,0,0|2,0,0]=4 2291 B14R1.122 CCCCCCNCc1cc(no1)Br 34a_100015193020_100000210314 [0,1,0,1,0,0|2,0,0]=4 2292 B14R1.122 CCCCCCNCc1cc(no1)C 207a_100000210581_100011794430 [0,1,0,1,0,0|2,0,0]=4 2293 B14R1.122 CCCCCCNCc1cc(no1)C 2230a_100000210581_100000707947 [0,1,0,1,0,0|2,0,0]=4 2294 B14R1.122 CCCCCCNCc1cc(no1)C 2230a_100000745748_100000210314 [0,1,0,1,0,0|2,0,0]=4 2295 B14R1.122 CCCCCCNCc1cc(no1)C 270004a_100000210581_100011794430 [0,1,0,1,0,0|2,0,0]=4 2296 B14R1.122 CCCCCCNCc1cc(no1)C 34a_100000745748_100000210314 [0,1,0,1,0,0|2,0,0]=4 2297 B14R1.122 CCCCCCNCc1cc(on1)C 207a_100000210581_100011217994 [0,1,0,1,0,0|2,0,0]=4 2298 B14R1.122 CCCCCCNCc1cc(on1)C 2230a_100000210581_100000199038 [0,1,0,1,0,0|2,0,0]=4 2299 B14R1.122 CCCCCCNCc1cc(on1)C 2230a_100000745230_100000210314 [0,1,0,1,0,0|2,0,0]=4 2300 B14R1.122 CCCCCCNCc1cc(on1)C 270004a_100000210581_100011217994 [0,1,0,1,0,0|2,0,0]=4 2301 B14R1.122 CCCCCCNCc1cc(on1)C 34a_100000745230_100000210314 [0,1,0,1,0,0|2,0,0]=4 2302 B14R1.122 CCCCCCNCc1ccc(o1)Br 207a_100000210581_100000185145 [0,1,0,1,0,0|1,0,1]=4 2303 B14R1.122 CCCCCCNCc1ccc(o1)Br 270004a_100000210581_100000185145 [0,1,0,1,0,0|1,0,1]=4 2304 B14R1.122 CCCCCCNCc1ccc(o1)Br 34a_100000708654_100000210314 [0,1,0,1,0,0|1,0,1]=4 2305 B14R1.122 CCCCCCNCc1ccc(o1)C 207a_100000210581_100000183696 [0,1,0,1,0,0|1,0,1]=4 2306 B14R1.122 CCCCCCNCc1ccc(o1)C 270004a_100000210581_100000183696 [0,1,0,1,0,0|1,0,1]=4 2307 B14R1.122 CCCCCCNCc1ccc(o1)C 34a_100011194323_100000210314 [0,1,0,1,0,0|1,0,1]=4 2308 B14R1.122 CCCCCCNCc1ccc(o1)Cl 207a_100000210581_100000188459 [0,1,0,1,0,0|1,0,1]=4 2309 B14R1.122 CCCCCCNCc1ccc(o1)Cl 270004a_100000210581_100000188459 [0,1,0,1,0,0|1,0,1]=4 2310 B14R1.122 CCCCCCNCc1ccc(o1)I 207a_100000210581_100000186757 [0,1,0,1,0,0|1,0,1]=4 2311 B14R1.122 CCCCCCNCc1cnc(o1)C 207a_100000210581_100000084308 [0,1,0,1,0,0|2,0,0]=4 2312 B14R1.122 CCCCCCNCc1cnc(o1)C 270004a_100000210581_100000084308 [0,1,0,1,0,0|2,0,0]=4 2313 B14R1.122 CCCCCCNCc1ncc(o1)C 2230a_100138411809_100000210314 [0,1,0,1,0,0|2,0,0]=4 2314 B14R1.122 CCCCCCNCc1ncc(o1)C 34a_100138411809_100000210314 [0,1,0,1,0,0|2,0,0]=4 2315 B14R1.122 CCCCCCOCC1=CC(=O)OC1 34a_100000210259_100000716558 [0,1,0,1,0,0|1,0,0]=3 2316 B14R1.122 CCCCCCOCC1CNC(=O)O1 34a_100000210259_100000181169 [0,1,0,1,0,0|1,0,1]=4 2317 B14R1.122 CCCCCCOCC1CNC(=O)O1 34a_100011315639_100000210314 [0,1,0,1,0,0|1,0,1]=4 2318 B14R1.122 CCCCCCOCC1CNC(=O)O1 7a_100000210259_100000181169 [0,1,0,1,0,0|1,0,1]=4 2319 B14R1.122 CCCCCCOCC1COC(=O)O1 34a_100000210259_100000073702 [0,1,0,1,0,0|1,0,1]=4 2320 B14R1.122 CCCCCCOCc1cc(no1)Br 34a_100009816691_100000210314 [0,1,0,1,0,0|2,0,0]=4 2321 B14R1.122 CCCCCCOCc1cc(no1)Br 7a_100000210259_100000709089 [0,1,0,1,0,0|2,0,0]=4 2322 B14R1.122 CCCCCCOCc1cc(no1)C 34a_100000210259_100000707947 [0,1,0,1,0,0|2,0,0]=4 2323 B14R1.122 CCCCCCOCc1cc(no1)C 34a_100000684692_100000210314 [0,1,0,1,0,0|2,0,0]=4 2324 B14R1.122 CCCCCCOCc1cc(no1)C 7a_100000210259_100000707947 [0,1,0,1,0,0|2,0,0]=4 2325 B14R1.122 CCCCCCOCc1cc(on1)C 34a_100000210259_100000199038 [0,1,0,1,0,0|2,0,0]=4 2326 B14R1.122 CCCCCCOCc1cc(on1)C 34a_100011216401_100000210314 [0,1,0,1,0,0|2,0,0]=4 2327 B14R1.122 CCCCCCOCc1cc(on1)C 7a_100000210259_100000199038 [0,1,0,1,0,0|2,0,0]=4 2328 B14R1.122 CCCCCCOCc1ccc(o1)Br 34a_100000246276_100000210314 [0,1,0,1,0,0|1,0,1]=4 2329 B14R1.122 CCCCCCOCc1ccc(o1)Br 7a_100000246276_100000210314 [0,1,0,1,0,0|1,0,1]=4 2330 B14R1.122 CCCCCCOCc1ccc(o1)C 34a_100011232665_100000210314 [0,1,0,1,0,0|1,0,1]=4 2331 B14R1.122 CCCCCCOCc1ccc(o1)C 7a_100011232665_100000210314 [0,1,0,1,0,0|1,0,1]=4 2332 B14R1.122 CCCCCCSCC1=CC(=O)OC1 62a_100000210314_100000716558 [0,1,0,1,0,0|1,0,0]=3 2333 B14R1.122 CCCCCCSCC1=CC(=O)OC1 62a_100000716558_100000210757 [0,1,0,1,0,0|1,0,0]=3 2334 B14R1.122 CCCCCCSCC1CNC(=O)O1 62a_100000181169_100000210757 [0,1,0,1,0,0|1,0,1]=4 2335 B14R1.122 CCCCCCSCC1CNC(=O)O1 62a_100000210314_100000181169 [0,1,0,1,0,0|1,0,1]=4 2336 B14R1.122 CCCCCCSCC1COC(=O)O1 62a_100000073702_100000210757 [0,1,0,1,0,0|1,0,1]=4 2337 B14R1.122 CCCCCCSCC1COC(=O)O1 62a_100000210314_100000073702 [0,1,0,1,0,0|1,0,1]=4 2338 B14R1.122 CCCCCCSCc1cc(no1)Br 62a_100000210314_100000709089 [0,1,0,1,0,0|2,0,0]=4 2339 B14R1.122 CCCCCCSCc1cc(no1)Br 62a_100000709089_100000210757 [0,1,0,1,0,0|2,0,0]=4 2340 B14R1.122 CCCCCCSCc1cc(no1)C 62a_100000210314_100000707947 [0,1,0,1,0,0|2,0,0]=4 2341 B14R1.122 CCCCCCSCc1cc(no1)C 62a_100000707947_100000210757 [0,1,0,1,0,0|2,0,0]=4 2342 B14R1.122 CCCCCCSCc1cc(on1)C 62a_100000199038_100000210757 [0,1,0,1,0,0|2,0,0]=4 2343 B14R1.122 CCCCCCSCc1cc(on1)C 62a_100000210314_100000199038 [0,1,0,1,0,0|2,0,0]=4 2344 B14R1.122 CCCCCNCCc1ccc(o1)C 2230a_100000739271_100000210326 [0,1,0,1,0,0|1,0,1]=4 2345 B14R1.122 CCCCCNCCc1ccc(o1)C 34a_100000739271_100000718602 [0,1,0,1,0,0|1,0,1]=4 2346 B14R1.122 CCCCCOCCc1cc(no1)Br 34a_100009816916_100000718602 [0,1,0,1,0,0|2,0,0]=4 2347 B14R1.122 CCCCCOCCc1ccc(o1)C 34a_100012161071_100000718602 [0,1,0,1,0,0|1,0,1]=4 2348 B14R1.122 CCCCCOCCc1ccc(o1)C 7a_100012161071_100000210326 [0,1,0,1,0,0|1,0,1]=4 2349 B14R1.122 CCCCOCSCC1=CC(=O)OC1 62a_100000716558_100011995733 [0,1,0,1,0,0|2,0,0]=4 2350 B14R1.122 CCCCOCSCC1=CC(=O)OC1 62a_100011995733_100000716558 [0,1,0,1,0,0|2,0,0]=4 2351 B14R1.122 CCCOCCNCC1=CC(=O)OC1 34a_100161115042_100000716558 [0,1,0,1,0,0|2,0,0]=4 2352 B14R1.122 CCCOCCOCC1=CC(=O)OC1 34a_100000752267_100000716558 [0,1,0,1,0,0|2,0,0]=4 2353 B14R1.122 CCCOCCSCC1=CC(=O)OC1 62a_100000716558_100011215938 [0,1,0,1,0,0|2,0,0]=4 2354 B14R1.122 CCCOCCSCC1=CC(=O)OC1 62a_100011215938_100000716558 [0,1,0,1,0,0|2,0,0]=4 2355 B14R1.122 CCCSCCOCC1=CC(=O)OC1 34a_200000230433_100000716558 [0,1,0,1,0,0|2,0,0]=4 2356 B14R1.122 CCOCCCNCC1=CC(=O)OC1 34a_100000210961_100000716558 [0,1,0,1,0,0|2,0,0]=4 2357 B14R1.122 CCOCCCOCC1=CC(=O)OC1 34a_100000757476_100000716558 [0,1,0,1,0,0|2,0,0]=4 2358 B14R1.122 CCOCCCSCC1=CC(=O)OC1 62a_100000716558_100012232248 [0,1,0,1,0,0|2,0,0]=4 2359 B14R1.122 CCOCCCSCC1=CC(=O)OC1 62a_100012232248_100000716558 [0,1,0,1,0,0|2,0,0]=4 2360 B14R1.122 CCSCCCOCC1=CC(=O)OC1 34a_100011216438_100000716558 [0,1,0,1,0,0|2,0,0]=4 2361 B14R1.122 COCCCCOCC1=CC(=O)OC1 34a_100000740925_100000716558 [0,1,0,1,0,0|2,0,0]=4 2362 B14R1.122 COCCCCSCC1=CC(=O)OC1 62a_100000716558_100000730899 [0,1,0,1,0,0|2,0,0]=4 2363 B14R1.122 COCCCCSCC1=CC(=O)OC1 62a_100000730899_100000716558 [0,1,0,1,0,0|2,0,0]=4 2364 B14R1.122 CSCCCCOCC1=CC(=O)OC1 34a_100011217163_100000716558 [0,1,0,1,0,0|2,0,0]=4 2365 B14R1.122 NCCCCCOCC1=CC(=O)OC1 34a_100000762737_100000716558 [0,1,0,1,0,0|2,0,0]=4 2366 B14R1.122 O=C1C=C(CO1)CNCCCCCO 34a_100000762737_100000716558 [0,1,0,1,0,0|2,0,0]=4 2367 B14R1.122 O=C1C=C(CO1)COCCCCCBr 34a_100000746331_100000716558 [0,1,0,1,0,0|2,0,0]=4 2368 B14R1.122 O=C1C=C(CO1)COCCCCCCl 34a_100000746330_100000716558 [0,1,0,1,0,0|2,0,0]=4 2369 B14R1.122 O=C1C=C(CO1)COCCCCCI 34a_200012148887_100000716558 [0,1,0,1,0,0|2,0,0]=4 2370 B14R1.122 O=C1C=C(CO1)CSCCCCCF 62a_100000716558_100000729378 [0,1,0,1,0,0|2,0,0]=4 2371 B14R1.122 O=C1C=C(CO1)CSCCCCCF 62a_100000729378_100000716558 [0,1,0,1,0,0|2,0,0]=4 2372 B14R1.122 O=C1C=C(CO1)CSCCCCCO 62a_100000716558_100000746330 [0,1,0,1,0,0|2,0,0]=4 2373 B14R1.122 O=C1C=C(CO1)CSCCCCCO 62a_100000746330_100000716558 [0,1,0,1,0,0|2,0,0]=4 2374 B14R1.159 CC1CCCCC1NC/C=C/B(O)O 2230a_100000211402_100016262062 [0,1,0,1,0,0|1,0,1]=4 2375 B14R1.159 CC1CCCCC1NC/C=C/B(O)O 34a_100000211402_100016262062 [0,1,0,1,0,0|1,0,1]=4 2376 B14R1.159 CC1CCCCC1OC/C=C/B(O)O 34a_100000211207_100016262062 [0,1,0,1,0,0|1,0,1]=4 2377 B14R1.159 CC1CCCCC1OC/C=C/B(O)O 7a_100000211207_100016262062 [0,1,0,1,0,0|1,0,1]=4 2378 B14R1.159 CN1CCCCC1CCNCC(=O)O 269956a_100016091260_100000211948 [0,1,0,1,0,0|1,0,1]=4 2379 B14R1.168 C[C@@H]1CCCN1CCC/C=C/B(O)O 2230a_100015189458_200016261450 [0,1,0,1,0,0|1,0,1]=4 2380 B14R1.168 C[C@@H]1CCCN1CCC/C=C/B(O)O 269982a_100015189458_200016261450 [0,1,0,1,0,0|1,0,1]=4 2381 B14R1.168 C[C@@H]1CCCN1CCC/C=C/B(O)O 34a_100015189458_200016261450 [0,1,0,1,0,0|1,0,1]=4 2382 B14R1.168 C[C@H]1CCCN1CCC/C=C/B(O)O 2230a_100020605311_200016261450 [0,1,0,1,0,0|1,0,1]=4 2383 B14R1.168 C[C@H]1CCCN1CCC/C=C/B(O)O 269982a_100020605311_200016261450 [0,1,0,1,0,0|1,0,1]=4 2384 B14R1.233 CCCCCCN1CC=C[C@H]1C(=O)O 269956a_100000057196_100000210757 [0,1,0,1,0,0|1,0,0]=3 2385 B14R1.233 CCCCCCN1CCC[C@H]1C(=O)O 269956a_100000743916_100000210757 [0,1,0,1,0,0|0,0,2]=4 2386 B14R1.233 CCCCCCN1CCSC1C(=O)O 269956a_100000035718_100000210757 [0,1,0,1,0,0|1,0,1]=4 2387 B14R1.233 CCCCOCN1CC=C[C@H]1C(=O)O 269956a_100000057196_100011995733 [0,1,0,1,0,0|2,0,0]=4 2388 B14R1.233 CCCOCCN1CC=C[C@H]1C(=O)O 269956a_100000057196_100011215938 [0,1,0,1,0,0|2,0,0]=4 2389 B14R1.233 CCOCCCN1CC=C[C@H]1C(=O)O 269956a_100000057196_100012232248 [0,1,0,1,0,0|2,0,0]=4 2390 B14R1.233 COCCCCN1CC=C[C@H]1C(=O)O 269956a_100000057196_100000730899 [0,1,0,1,0,0|2,0,0]=4 2391 B14R1.233 O=C(O)[C@@H]1C=CCN1CCCCCF 269956a_100000057196_100000729378 [0,1,0,1,0,0|2,0,0]=4 2392 B14R1.233 O=C(O)[C@@H]1C=CCN1CCCCCO 269956a_100000057196_100000746330 [0,1,0,1,0,0|2,0,0]=4 2393 B14R1.241 CC1CC1COCCC/C=C/B(O)O 34a_100000744939_200016261450 [0,1,0,1,0,0|1,0,1]=4 2394 B14R1.241 CC1CC1COCCC/C=C/B(O)O 7a_100000744939_200016261450 [0,1,0,1,0,0|1,0,1]=4 2395 B14R1.422 CC(=O)NN=CCCC1CCCCC1 4a_100000189765_200000189433 [0,1,0,1,0,0|2,0,0]=4 2396 B14R1.422 O=C(O)CNCCCC1CCCCC1 269956a_100016091260_100011713725 [0,1,0,1,0,0|0,0,2]=4 2397 B14R1.422 O=C(O)CNCCCN1CCCCC1 269956a_100016091260_100000007876 [0,1,0,1,0,0|1,0,1]=4 2398 B14R1.422 O=C(O)CNCCOC1CCCCC1 269956a_100016091260_100011211530 [0,1,0,1,0,0|1,0,1]=4 2399 B14R1.422 O=C(O)COCCNC1CCCCC1 269956a_100000700818_100000210327 [0,1,0,1,0,0|1,0,1]=4 2400 B14R1.422 O=C(O)CONCCC1CCCCC1 269956a_100000106656_100011273959 [0,1,0,1,0,0|1,0,1]=4 2401 B14R1.422 OB(O)/C=C/CNCC1CCCCC1 2230a_100000210473_100016262062 [0,1,0,1,0,0|1,0,1]=4 2402 B14R1.422 OB(O)/C=C/CNCC1CCCCC1 34a_100000210473_100016262062 [0,1,0,1,0,0|1,0,1]=4 2403 B14R1.422 OB(O)/C=C/COCC1CCCCC1 34a_100000212181_100016262062 [0,1,0,1,0,0|1,0,1]=4 2404 B14R1.422 OB(O)/C=C/COCC1CCCCC1 7a_100000212181_100016262062 [0,1,0,1,0,0|1,0,1]=4 2405 B14R1.422 OB(O)/C=C/CSCC1CCCCC1 62a_100000211423_100016262062 [0,1,0,1,0,0|1,0,1]=4 2406 B14R1.422 OB(O)/C=C/CSCC1CCCCC1 62a_100016262062_100000211423 [0,1,0,1,0,0|1,0,1]=4 2407 B14R1.427 O=C(O)COCCNCC1CCCC1 269956a_100000700818_100000740388 [0,1,0,1,0,0|1,0,1]=4 2408 B14R1.427 O=C(O)CONCCCC1CCCC1 269956a_100000106656_100011713738 [0,1,0,1,0,0|1,0,1]=4 2409 B14R1.427 OB(O)/C=C/CCCNC1CCCC1 2230a_100000211070_200016261450 [0,1,0,1,0,0|1,0,1]=4 2410 B14R1.427 OB(O)/C=C/CCCNC1CCCC1 34a_100000211070_200016261450 [0,1,0,1,0,0|1,0,1]=4 2411 B14R1.427 OB(O)/C=C/CCCOC1CCCC1 34a_100000210269_200016261450 [0,1,0,1,0,0|1,0,1]=4 2412 B14R1.427 OB(O)/C=C/CCCOC1CCCC1 7a_100000210269_200016261450 [0,1,0,1,0,0|1,0,1]=4 2413 B14R1.427 OB(O)/C=C/CCCSC1CCCC1 62a_100011217020_200016261450 [0,1,0,1,0,0|1,0,1]=4 2414 B14R1.427 OB(O)/C=C/CCCSC1CCCC1 62a_200016261450_100000179811 [0,1,0,1,0,0|1,0,1]=4 2415 B14R1.427 OB(O)/C=C/CNCCC1CCCC1 2230a_100000739158_100016262062 [0,1,0,1,0,0|1,0,1]=4 2416 B14R1.427 OB(O)/C=C/CNCCC1CCCC1 34a_100000739158_100016262062 [0,1,0,1,0,0|1,0,1]=4 2417 B14R1.427 OB(O)/C=C/COCCC1CCCC1 34a_100000749090_100016262062 [0,1,0,1,0,0|1,0,1]=4 2418 B14R1.427 OB(O)/C=C/COCCC1CCCC1 7a_100000749090_100016262062 [0,1,0,1,0,0|1,0,1]=4 2419 B14R1.427 OB(O)/C=C/CSCCC1CCCC1 62a_100000760354_100016262062 [0,1,0,1,0,0|1,0,1]=4 2420 B14R1.427 OB(O)/C=C/CSCCC1CCCC1 62a_100016262062_100000760354 [0,1,0,1,0,0|1,0,1]=4 2421 B14R1.482 CCCC1CCCCC1=NNC(=O)C 4a_100000189765_100011218038 [0,1,0,1,0,0|2,0,0]=4 2422 B14R1.482 CCCN1CCCCC1CCC(=O)O 269956a_100000694054_100000210207 [0,1,0,1,0,0|0,0,2]=4 2423 B14R1.651 CCCCN1CCCCCC1C(=O)O 269956a_100000758484_100000210211 [0,1,0,1,0,0|0,0,2]=4 2424 B14R1.799 CCCCC1CCCC1=NNC(=O)C 4a_100000189765_100000750825 [0,1,0,1,0,0|2,0,0]=4 2425 B14R1.903 CCCCCN1CCCC[C@@H]1C(=O)O 269956a_100000763471_100000210326 [0,1,0,1,0,0|0,0,2]=4 2426 B14R1.903 CCCCN[C@@H]1CCCC[C@H]1C(=O)O 269956a_100009816435_100000210211 [0,1,0,1,0,0|0,0,2]=4 2427 B14R1.3447 CCCCCCCN1CCC1C(=O)O 269956a_100000021838_100000210614 [0,1,0,1,0,0|0,0,2]=4 2428 B14R1.4521 OB(O)/C=C/CCCNCC1CCC1 2230a_100000738700_200016261450 [0,1,0,1,0,0|1,0,1]=4 2429 B14R1.4521 OB(O)/C=C/CCCNCC1CCC1 34a_100000738700_200016261450 [0,1,0,1,0,0|1,0,1]=4 2430 B14R1.4521 OB(O)/C=C/CCCOCC1CCC1 34a_100000760304_200016261450 [0,1,0,1,0,0|1,0,1]=4 2431 B14R1.4521 OB(O)/C=C/CCCSCC1CCC1 62a_100000763275_200016261450 [0,1,0,1,0,0|1,0,1]=4 2432 B14R1.4521 OB(O)/C=C/CCCSCC1CCC1 62a_200016261450_100000763275 [0,1,0,1,0,0|1,0,1]=4 2433 B14R1.5254 CCN[C@@H]1CCCCCC[C@@H]1C(=O)O 269956a_200049070474_100000210202 [0,1,0,1,0,0|0,0,2]=4 2434 B14R1.6335 CC(=O)NN=C1CCCCCCCC1 4a_100000189765_100000038600 [0,1,0,1,0,0|2,0,0]=4 2435 B14R1.6343 O=C(O)CNCCN1CCCCCC1 269956a_100016091260_100000722644 [0,1,0,1,0,0|1,0,1]=4 2436 B14R1.6343 O=C(O)CONCC1CCCCCC1 269956a_100000106656_200000696569 [0,1,0,1,0,0|1,0,1]=4 2437 B14R1.6343 OB(O)/C=C/CNC1CCCCCC1 2230a_100000210984_100016262062 [0,1,0,1,0,0|1,0,1]=4 2438 B14R1.6343 OB(O)/C=C/CNC1CCCCCC1 34a_100000210984_100016262062 [0,1,0,1,0,0|1,0,1]=4 2439 B14R1.6343 OB(O)/C=C/COC1CCCCCC1 34a_100000210887_100016262062 [0,1,0,1,0,0|1,0,1]=4 2440 B14R1.6343 OB(O)/C=C/COC1CCCCCC1 7a_100000210887_100016262062 [0,1,0,1,0,0|1,0,1]=4 2441 B14R1.6343 OB(O)/C=C/CSC1CCCCCC1 62a_100011217769_100016262062 [0,1,0,1,0,0|1,0,1]=4 2442 B14R1.6343 OB(O)/C=C/CSC1CCCCCC1 62a_100016262062_100011217769 [0,1,0,1,0,0|1,0,1]=4 2443 B14R1.6388 OB(O)/C=C/CCCNCCC1CC1 34a_100000764129_200016261450 [0,1,0,1,0,0|1,0,1]=4 2444 B14R1.6388 OB(O)/C=C/CCCOCCC1CC1 34a_100000754188_200016261450 [0,1,0,1,0,0|1,0,1]=4 2445 B14R1.6388 OB(O)/C=C/CCCOCCC1CC1 7a_100000754188_200016261450 [0,1,0,1,0,0|1,0,1]=4 2446 B14R1.6388 OB(O)/C=C/CCCSCCC1CC1 62a_100000764125_200016261450 [0,1,0,1,0,0|1,0,1]=4 2447 B14R1.6388 OB(O)/C=C/CCCSCCC1CC1 62a_200016261450_100000764125 [0,1,0,1,0,0|1,0,1]=4 2448 B14R1.14 CCCCCCCc1ccc(cc1)O 271570a_203496583355_100009813667 [0,1,0,1,0,0|1,0,1]=4 2449 B14R1.109 CCC1CCCN1C/C=C/C(=O)OC 2230a_100000754278_100000742655 [0,1,0,1,0,0|1,0,0]=3 2450 B14R1.109 CCC1CCCN1C/C=C/C(=O)OC 269982a_100000754278_100000742655 [0,1,0,1,0,0|1,0,0]=3 2451 B14R1.109 CCC1CCCN1C/C=C/C(=O)OC 34a_100000754278_100000742655 [0,1,0,1,0,0|1,0,0]=3 2452 B14R1.109 COC(=O)/C=C/CN1CCC[C@@H]1CO 2230a_100000745186_100000742655 [0,1,0,1,0,0|2,0,0]=4 2453 B14R1.109 COC(=O)/C=C/CN1CCC[C@@H]1CO 269982a_100000745186_100000742655 [0,1,0,1,0,0|2,0,0]=4 2454 B14R1.109 COC(=O)/C=C/CN1CCC[C@@H]1CO 34a_100000745186_100000742655 [0,1,0,1,0,0|2,0,0]=4 2455 B14R1.259 COCC1CCN1C/C=C/C(=O)OC 2230a_100015195929_100000742655 [0,1,0,1,0,0|2,0,0]=4 2456 B14R1.259 COCC1CCN1C/C=C/C(=O)OC 269982a_100015195929_100000742655 [0,1,0,1,0,0|2,0,0]=4 2457 B14R1.259 COCC1CCN1C/C=C/C(=O)OC 34a_100015195929_100000742655 [0,1,0,1,0,0|2,0,0]=4 2458 B14R1.483 CCCC1CCCCN1CC(=O)OC 2230a_100000701414_100000747449 [0,1,0,1,0,0|1,0,1]=4 2459 B14R1.483 CCCC1CCCCN1CC(=O)OC 269982a_100000701414_100000747449 [0,1,0,1,0,0|1,0,1]=4 2460 B14R1.483 CCCC1CCCCN1CC(=O)OC 34a_100000701414_100000747449 [0,1,0,1,0,0|1,0,1]=4 2461 B14R1.716 COC(=O)/C=C/CNC1CCCCC1 2230a_100000182618_100000742655 [0,1,0,1,0,0|1,0,0]=3 2462 B14R1.716 COC(=O)/C=C/CNC1CCCCC1 34a_100000182618_100000742655 [0,1,0,1,0,0|1,0,0]=3 2463 B14R1.716 COC(=O)/C=C/CNC1CCCOC1 2230a_100000719290_100000742655 [0,1,0,1,0,0|2,0,0]=4 2464 B14R1.716 COC(=O)/C=C/CNC1CCCOC1 34a_100000719290_100000742655 [0,1,0,1,0,0|2,0,0]=4 2465 B14R1.716 COC(=O)/C=C/CNC1CCOCC1 2230a_100000741149_100000742655 [0,1,0,1,0,0|2,0,0]=4 2466 B14R1.716 COC(=O)/C=C/CNC1CCOCC1 34a_100000741149_100000742655 [0,1,0,1,0,0|2,0,0]=4 2467 B14R1.716 COC(=O)/C=C/CNC1CCSCC1 2230a_100000748639_100000742655 [0,1,0,1,0,0|2,0,0]=4 2468 B14R1.716 COC(=O)/C=C/CNC1CCSCC1 34a_100000748639_100000742655 [0,1,0,1,0,0|2,0,0]=4 2469 B14R1.716 COC(=O)/C=C/COC1CCCCC1 34a_100000210231_100000742655 [0,1,0,1,0,0|1,0,0]=3 2470 B14R1.716 COC(=O)/C=C/COC1CCCCC1 7a_100000210231_100000742655 [0,1,0,1,0,0|1,0,0]=3 2471 B14R1.716 COC(=O)/C=C/COC1CCCCO1 34a_100000033831_100000742655 [0,1,0,1,0,0|2,0,0]=4 2472 B14R1.716 COC(=O)/C=C/COC1CCCOC1 34a_100000754041_100000742655 [0,1,0,1,0,0|2,0,0]=4 2473 B14R1.716 COC(=O)/C=C/COC1CCCSC1 7a_100015962668_100000742655 [0,1,0,1,0,0|2,0,0]=4 2474 B14R1.716 COC(=O)/C=C/COC1CCOCC1 34a_100000744328_100000742655 [0,1,0,1,0,0|2,0,0]=4 2475 B14R1.716 COC(=O)/C=C/COC1CCSCC1 34a_100000731022_100000742655 [0,1,0,1,0,0|2,0,0]=4 2476 B14R1.716 COC(=O)/C=C/COC1CCSCC1 7a_100000731022_100000742655 [0,1,0,1,0,0|2,0,0]=4 2477 B14R1.716 COC(=O)/C=C/CSC1CCCCC1 62a_100000210327_100000742655 [0,1,0,1,0,0|1,0,0]=3 2478 B14R1.716 COC(=O)/C=C/CSC1CCCCC1 62a_100000742655_100000210327 [0,1,0,1,0,0|1,0,0]=3 2479 B14R1.716 COC(=O)/C=C/CSC1CCCOC1 62a_100000742655_100000693364 [0,1,0,1,0,0|2,0,0]=4 2480 B14R1.716 COC(=O)/C=C/CSC1CCOCC1 62a_100000742655_100011324220 [0,1,0,1,0,0|2,0,0]=4 2481 B14R1.716 COC(=O)/C=C/CSC1CCSCC1 62a_100000742655_100000069128 [0,1,0,1,0,0|2,0,0]=4 2482 B14R1.716 COC(=O)C=NNCC1CCCCC1 4a_100000740227_200011823558 [0,1,0,1,0,0|2,0,0]=4 2483 B14R1.716 COC(=O)CNCCC1CCCCC1 2230a_100000738074_100000747449 [0,1,0,1,0,0|1,0,1]=4 2484 B14R1.716 COC(=O)CNCCC1CCCCC1 34a_100000738074_100000747449 [0,1,0,1,0,0|1,0,1]=4 2485 B14R1.716 COC(=O)COCCC1CCCCC1 34a_100011217863_100000747449 [0,1,0,1,0,0|1,0,1]=4 2486 B14R1.716 COC(=O)COCCC1CCCCC1 7a_100011217863_100000747449 [0,1,0,1,0,0|1,0,1]=4 2487 B14R1.716 COC(=O)CSCCC1CCCCC1 62a_100000747449_100012355289 [0,1,0,1,0,0|1,0,1]=4 2488 B14R1.716 COC(=O)CSCCC1CCCCC1 62a_100012355289_100000747449 [0,1,0,1,0,0|1,0,1]=4 2489 B14R1.716 O=C(CO)NCCCC1CCCCC1 240690a_100011211642_100000210174 [0,1,0,1,0,0|1,0,1]=4 2490 B14R1.716 O=C(CO)NCCCC1CCCCC1 527a_100011211642_100000210174 [0,1,0,1,0,0|1,0,1]=4 2491 B14R1.730 COC(=O)/C=C/CNCC1CCCC1 2230a_100000737975_100000742655 [0,1,0,1,0,0|1,0,0]=3 2492 B14R1.730 COC(=O)/C=C/CNCC1CCCC1 34a_100000737975_100000742655 [0,1,0,1,0,0|1,0,0]=3 2493 B14R1.730 COC(=O)/C=C/CNCC1CCOC1 2230a_100000737293_100000742655 [0,1,0,1,0,0|2,0,0]=4 2494 B14R1.730 COC(=O)/C=C/CNCC1CCOC1 34a_100000737293_100000742655 [0,1,0,1,0,0|2,0,0]=4 2495 B14R1.730 COC(=O)/C=C/CNC[C@@H]1CCCO1 2230a_100020590478_100000742655 [0,1,0,1,0,0|2,0,0]=4 2496 B14R1.730 COC(=O)/C=C/CNC[C@@H]1CCCO1 34a_100020590478_100000742655 [0,1,0,1,0,0|2,0,0]=4 2497 B14R1.730 COC(=O)/C=C/COCC1CCCC1 34a_100000742336_100000742655 [0,1,0,1,0,0|1,0,0]=3 2498 B14R1.730 COC(=O)/C=C/COCC1CCCC1 7a_100000742336_100000742655 [0,1,0,1,0,0|1,0,0]=3 2499 B14R1.730 COC(=O)/C=C/COCC1CCCO1 34a_100000210270_100000742655 [0,1,0,1,0,0|2,0,0]=4 2500 B14R1.730 COC(=O)/C=C/COCC1CCCO1 7a_100000210270_100000742655 [0,1,0,1,0,0|2,0,0]=4 2501 B14R1.730 COC(=O)/C=C/COCC1CCNC1 34a_100000748654_100000742655 [0,1,0,1,0,0|2,0,0]=4 2502 B14R1.730 COC(=O)/C=C/COCC1CCOC1 34a_100000740260_100000742655 [0,1,0,1,0,0|2,0,0]=4 2503 B14R1.730 COC(=O)/C=C/COC[C@H]1CCCN1 34a_100000745186_100000742655 [0,1,0,1,0,0|2,0,0]=4 2504 B14R1.730 COC(=O)/C=C/CSCC1CCCC1 62a_100000740388_100000742655 [0,1,0,1,0,0|1,0,0]=3 2505 B14R1.730 COC(=O)/C=C/CSCC1CCCC1 62a_100000742655_100000740388 [0,1,0,1,0,0|1,0,0]=3 2506 B14R1.730 COC(=O)/C=C/CSCC1CCCO1 62a_100000203698_100000742655 [0,1,0,1,0,0|2,0,0]=4 2507 B14R1.730 COC(=O)/C=C/CSCC1CCCO1 62a_100000742655_100000203698 [0,1,0,1,0,0|2,0,0]=4 2508 B14R1.730 COC(=O)/C=C/CSCC1CCOC1 62a_100000702531_100000742655 [0,1,0,1,0,0|2,0,0]=4 2509 B14R1.730 COC(=O)/C=C/CSCC1CCOC1 62a_100000742655_100000702531 [0,1,0,1,0,0|2,0,0]=4 2510 B14R1.730 COC(=O)CNCCCC1CCCC1 2230a_100000736752_100000747449 [0,1,0,1,0,0|1,0,1]=4 2511 B14R1.730 COC(=O)CNCCCC1CCCC1 34a_100000736752_100000747449 [0,1,0,1,0,0|1,0,1]=4 2512 B14R1.730 COC(=O)COCCCC1CCCC1 34a_100011215328_100000747449 [0,1,0,1,0,0|1,0,1]=4 2513 B14R1.730 COC(=O)COCCCC1CCCC1 7a_100011215328_100000747449 [0,1,0,1,0,0|1,0,1]=4 2514 B14R1.730 COC(=O)CSCCCC1CCCC1 62a_100000747449_100011713738 [0,1,0,1,0,0|1,0,1]=4 2515 B14R1.730 COC(=O)CSCCCC1CCCC1 62a_100011713738_100000747449 [0,1,0,1,0,0|1,0,1]=4 2516 B14R1.819 COC(=O)/C=C/COC1CCCC1C 34a_100011216460_100000742655 [0,1,0,1,0,0|1,0,0]=3 2517 B14R1.819 COC(=O)/C=C/COC1CCCC1C 7a_100011216460_100000742655 [0,1,0,1,0,0|1,0,0]=3 2518 B14R1.819 COC(=O)/C=C/CO[C@@H]1CCC[C@H]1Cl 34a_200016002552_100000742655 [0,1,0,1,0,0|2,0,0]=4 2519 B14R1.819 COC(=O)/C=C/CO[C@H]1CCC[C@@H]1N 34a_100000748460_100000742655 [0,1,0,1,0,0|2,0,0]=4 2520 B14R1.819 COC(=O)/C=C/CO[C@H]1CNC[C@H]1C 34a_200015306588_100000742655 [0,1,0,1,0,0|2,0,0]=4 2521 B14R1.819 COC(=O)/C=C/CS[C@@H]1CCC[C@H]1O 62a_100000742655_200016002552 [0,1,0,1,0,0|2,0,0]=4 2522 B14R1.819 COC(=O)/C=C/CS[C@@H]1CCC[C@H]1O 62a_200016002552_100000742655 [0,1,0,1,0,0|2,0,0]=4 2523 B14R1.823 COC(=O)/C=C/COCCC1COC1 34a_100009855314_100000742655 [0,1,0,1,0,0|2,0,0]=4 2524 B14R1.827 COC(=O)/C=C/COCCNC1CC1 34a_100000738766_100000742655 [0,1,0,1,0,0|2,0,0]=4 2525 B14R1.827 COC(=O)/C=C/CSCCCC1CO1 62a_100000733510_100000742655 [0,1,0,1,0,0|2,0,0]=4 2526 B14R1.827 COC(=O)/C=C/CSCCCC1CO1 62a_100000742655_100000733510 [0,1,0,1,0,0|2,0,0]=4 2527 B14R1.837 COC(=O)/C=C/CN1CCCCC1C 2230a_100000211376_100000742655 [0,1,0,1,0,0|1,0,0]=3 2528 B14R1.837 COC(=O)/C=C/CN1CCCCC1C 269982a_100000211376_100000742655 [0,1,0,1,0,0|1,0,0]=3 2529 B14R1.837 COC(=O)/C=C/CN1CCCCC1C 34a_100000211376_100000742655 [0,1,0,1,0,0|1,0,0]=3 2530 B14R1.837 COC(=O)/C=C/CN1CCOC[C@@H]1C 2230a_100009815349_100000742655 [0,1,0,1,0,0|2,0,0]=4 2531 B14R1.837 COC(=O)/C=C/CN1CCOC[C@@H]1C 269982a_100009815349_100000742655 [0,1,0,1,0,0|2,0,0]=4 2532 B14R1.837 COC(=O)/C=C/CN1CCOC[C@@H]1C 34a_100009815349_100000742655 [0,1,0,1,0,0|2,0,0]=4 2533 B14R1.863 CCC1CCCCC1OCC(=O)OC 34a_100000210738_100000747449 [0,1,0,1,0,0|1,0,1]=4 2534 B14R1.863 CCC1CCCCC1OCC(=O)OC 7a_100000210738_100000747449 [0,1,0,1,0,0|1,0,1]=4 2535 B14R1.1224 COC(=O)CN1CCCCCCCC1 2230a_100000039187_100000747449 [0,1,0,1,0,0|1,0,1]=4 2536 B14R1.1224 COC(=O)CN1CCCCCCCC1 269982a_100000039187_100000747449 [0,1,0,1,0,0|1,0,1]=4 2537 B14R1.1224 COC(=O)CN1CCCCCCCC1 34a_100000039187_100000747449 [0,1,0,1,0,0|1,0,1]=4 2538 B14R1.1586 COC(=O)/C=C/CN1CCCCCC1 2230a_100000185865_100000742655 [0,1,0,1,0,0|1,0,0]=3 2539 B14R1.1586 COC(=O)/C=C/CN1CCCCCC1 269982a_100000185865_100000742655 [0,1,0,1,0,0|1,0,0]=3 2540 B14R1.1586 COC(=O)/C=C/CN1CCCCCC1 34a_100000185865_100000742655 [0,1,0,1,0,0|1,0,0]=3 2541 B14R1.1586 COC(=O)/C=C/CN1CCCOCC1 2230a_100000685342_100000742655 [0,1,0,1,0,0|2,0,0]=4 2542 B14R1.1586 COC(=O)/C=C/CN1CCCOCC1 269982a_100000685342_100000742655 [0,1,0,1,0,0|2,0,0]=4 2543 B14R1.1586 COC(=O)/C=C/CN1CCCOCC1 34a_100000685342_100000742655 [0,1,0,1,0,0|2,0,0]=4 2544 B14R1.1586 COC(=O)CNCC1CCCCCC1 2230a_100015204231_100000747449 [0,1,0,1,0,0|1,0,1]=4 2545 B14R1.1586 COC(=O)CNCC1CCCCCC1 34a_100015204231_100000747449 [0,1,0,1,0,0|1,0,1]=4 2546 B14R1.1586 COC(=O)COCC1CCCCCC1 34a_100000699130_100000747449 [0,1,0,1,0,0|1,0,1]=4 2547 B14R1.1586 COC(=O)COCC1CCCCCC1 7a_100000699130_100000747449 [0,1,0,1,0,0|1,0,1]=4 2548 B14R1.1586 COC(=O)CSCC1CCCCCC1 62a_100000747449_200000696569 [0,1,0,1,0,0|1,0,1]=4 2549 B14R1.1586 COC(=O)CSCC1CCCCCC1 62a_200000696569_100000747449 [0,1,0,1,0,0|1,0,1]=4 2550 B14R1.1586 O=C(CO)NCCC1CCCCCC1 240690a_100011532351_100000210174 [0,1,0,1,0,0|1,0,1]=4 2551 B14R1.1586 O=C(CO)NCCC1CCCCCC1 527a_100011532351_100000210174 [0,1,0,1,0,0|1,0,1]=4 2552 B14R1.3454 CCCCCCSc1ccc(o1)C=O 62a_100000210314_100000186757 [0,1,0,1,0,0|1,0,1]=4 2553 B14R1.3454 CCCCCNCc1ccc(o1)C=O 2230a_100000209983_200000079136 [0,1,0,1,0,0|1,0,1]=4 2554 B14R1.3454 CCCCCOCc1ccc(o1)C=O 34a_100000210253_200000079136 [0,1,0,1,0,0|1,0,1]=4 2555 B14R1.3454 CCCCCOCc1ccc(o1)C=O 7a_100000210253_200000079136 [0,1,0,1,0,0|1,0,1]=4 2556 B14R1.3454 CCCCCSCc1ccc(o1)C=O 62a_100000210326_200000079136 [0,1,0,1,0,0|1,0,1]=4 2557 B14R1.7684 COC(=O)CNC1CCCCCCC1 2230a_100000211152_100000747449 [0,1,0,1,0,0|1,0,1]=4 2558 B14R1.7684 COC(=O)CNC1CCCCCCC1 34a_100000211152_100000747449 [0,1,0,1,0,0|1,0,1]=4 2559 B14R1.7684 COC(=O)COC1CCCCCCC1 34a_100000210054_100000747449 [0,1,0,1,0,0|1,0,1]=4 2560 B14R1.7684 COC(=O)COC1CCCCCCC1 7a_100000210054_100000747449 [0,1,0,1,0,0|1,0,1]=4 2561 B14R1.481 CCCC1CCCCN1C(=O)C(=O)N 240690a_100000701414_100011215815 [0,1,0,1,0,0|2,0,0]=4 2562 B14R1.3127 CC1=CC(OC1=O)NCCCCCO 2230a_100000762737_200009893386 [0,1,0,1,0,0|2,0,0]=4 2563 B14R1.3127 CC1=CC(OC1=O)SCCCCCF 62a_100000729378_200009893386 [0,1,0,1,0,0|2,0,0]=4 2564 B14R1.3127 CC1=CC(OC1=O)SCCCCCF 62a_200009893386_100000729378 [0,1,0,1,0,0|2,0,0]=4 2565 B14R1.3127 CC1=CC(OC1=O)SCCCCCO 62a_100000746330_200009893386 [0,1,0,1,0,0|2,0,0]=4 2566 B14R1.3127 CC1=CC(OC1=O)SCCCCCO 62a_200009893386_100000746330 [0,1,0,1,0,0|2,0,0]=4 2567 B14R1.3127 CCCCCCNC1C=C(C(=O)O1)C 2230a_100000210581_200009893386 [0,1,0,1,0,0|1,0,0]=3 2568 B14R1.3127 CCCCCCSC1C=C(C(=O)O1)C 62a_100000210314_200009893386 [0,1,0,1,0,0|1,0,0]=3 2569 B14R1.3127 CCCCCCSC1C=C(C(=O)O1)C 62a_200009893386_100000210757 [0,1,0,1,0,0|1,0,0]=3 2570 B14R1.3127 CCCCOCSC1C=C(C(=O)O1)C 62a_100011995733_200009893386 [0,1,0,1,0,0|2,0,0]=4 2571 B14R1.3127 CCCCOCSC1C=C(C(=O)O1)C 62a_200009893386_100011995733 [0,1,0,1,0,0|2,0,0]=4 2572 B14R1.3127 CCCOCCNC1C=C(C(=O)O1)C 2230a_100161115042_200009893386 [0,1,0,1,0,0|2,0,0]=4 2573 B14R1.3127 CCCOCCSC1C=C(C(=O)O1)C 62a_100011215938_200009893386 [0,1,0,1,0,0|2,0,0]=4 2574 B14R1.3127 CCCOCCSC1C=C(C(=O)O1)C 62a_200009893386_100011215938 [0,1,0,1,0,0|2,0,0]=4 2575 B14R1.3127 CCCSCCNC1C=C(C(=O)O1)C 2230a_100020603323_200009893386 [0,1,0,1,0,0|2,0,0]=4 2576 B14R1.3127 CCOCCCNC1C=C(C(=O)O1)C 2230a_100000210961_200009893386 [0,1,0,1,0,0|2,0,0]=4 2577 B14R1.3127 CCOCCCSC1C=C(C(=O)O1)C 62a_100012232248_200009893386 [0,1,0,1,0,0|2,0,0]=4 2578 B14R1.3127 CCOCCCSC1C=C(C(=O)O1)C 62a_200009893386_100012232248 [0,1,0,1,0,0|2,0,0]=4 2579 B14R1.3127 COCCCCSC1C=C(C(=O)O1)C 62a_100000730899_200009893386 [0,1,0,1,0,0|2,0,0]=4 2580 B14R1.3127 COCCCCSC1C=C(C(=O)O1)C 62a_200009893386_100000730899 [0,1,0,1,0,0|2,0,0]=4 2581 B14R1.3218 C[C@H](NCCCC1CCCC1)C(=O)O 269956a_100000743915_100011713738 [0,1,0,1,0,0|1,0,1]=4 2582 B14R1.3218 NC(=O)C(=O)NCCCC1CCCC1 240690a_100000736752_100011215815 [0,1,0,1,0,0|2,0,0]=4 2583 B14R1.6449 C[C@H](NCCC1CCCCC1)C(=O)O 269956a_100000743915_100011273959 [0,1,0,1,0,0|1,0,1]=4 2584 B14R1.6449 NC(=O)C(=O)NCCC1CCCCC1 240690a_100000738074_100011215815 [0,1,0,1,0,0|2,0,0]=4 2585 B14R1.10025 NC(=O)C(=O)N1CCCCCCCC1 240690a_100000039187_100011215815 [0,1,0,1,0,0|2,0,0]=4 2586 B14R1.10030 C[C@H](NCC1CCCCCC1)C(=O)O 269956a_100000743915_200000696569 [0,1,0,1,0,0|1,0,1]=4 2587 B14R1.10030 NC(=O)C(=O)NCC1CCCCCC1 240690a_100015204231_100011215815 [0,1,0,1,0,0|2,0,0]=4 2588 B14R1.10072 NC(=O)C(=O)NC1CCCCCCC1 240690a_100000211152_100011215815 [0,1,0,1,0,0|2,0,0]=4 2589 B14R1.818 CC(=CC(=O)CCC1CCCCC1)C 1458a_100000211388_100011273959 [0,1,0,1,0,0|2,0,0]=4 2590 B14R1.818 CC(=CC(=O)CCC1CCCCC1)Cl 1458a_200042562850_100011273959 [0,1,0,1,0,0|2,0,0]=4 2591 B14R1.818 CC(=CC(=O)CCC1CCCCC1)I 1458a_100025716642_100011273959 [0,1,0,1,0,0|2,0,0]=4 2592 B14R1.818 CN(CCC1CCCCC1)CC(=O)O 269956a_100000746989_100011273959 [0,1,0,1,0,0|1,0,1]=4 2593 B14R1.818 NC(=O)CC(=O)CCC1CCCCC1 1458a_100000211375_100000187820 [0,1,0,1,0,0|1,0,1]=4 2594 B14R1.818 NC(=O)CC(=O)CCC1CCCCC1 1458a_100134613110_100011273959 [0,1,0,1,0,0|1,0,1]=4 2595 B14R1.818 O=C(C=C(Cl)Cl)CCC1CCCCC1 1458a_100000137448_100011273959 [0,1,0,1,0,0|2,0,0]=4 2596 B14R1.818 O=C([O-])CC(=O)CCC1CCCCC1 1458a_100000211375_100020667443 [0,1,0,1,0,0|0,0,2]=4 2597 B14R1.6454 CC(=CC(=O)CCCC1CCCC1)C 1458a_100000211388_100011713738 [0,1,0,1,0,0|2,0,0]=4 2598 B14R1.6454 CC(=CC(=O)CCCC1CCCC1)Cl 1458a_200042562850_100011713738 [0,1,0,1,0,0|2,0,0]=4 2599 B14R1.6454 CC(=CC(=O)CCCC1CCCC1)I 1458a_100025716642_100011713738 [0,1,0,1,0,0|2,0,0]=4 2600 B14R1.6454 CN(CCCC1CCCC1)CC(=O)O 269956a_100000746989_100011713738 [0,1,0,1,0,0|1,0,1]=4 2601 B14R1.6454 NC(=O)CC(=O)CCCC1CCCC1 1458a_100134613110_100011713738 [0,1,0,1,0,0|1,0,1]=4 2602 B14R1.6454 O=C(C=C(Cl)Cl)CCCC1CCCC1 1458a_100000137448_100011713738 [0,1,0,1,0,0|2,0,0]=4 2603 B14R1.13081 CC(=CC(=O)CC1CCCCCC1)C 1458a_100000211388_200000696569 [0,1,0,1,0,0|2,0,0]=4 2604 B14R1.13081 CC(=CC(=O)CC1CCCCCC1)Cl 1458a_200042562850_200000696569 [0,1,0,1,0,0|2,0,0]=4 2605 B14R1.13081 CC(=CC(=O)CC1CCCCCC1)I 1458a_100025716642_200000696569 [0,1,0,1,0,0|2,0,0]=4 2606 B14R1.13081 CN(CC(=O)O)CC1CCCCCC1 269956a_100000746989_200000696569 [0,1,0,1,0,0|1,0,1]=4 2607 B14R1.13081 NC(=O)CC(=O)CC1CCCCCC1 1458a_100000685095_100000187820 [0,1,0,1,0,0|1,0,1]=4 2608 B14R1.13081 NC(=O)CC(=O)CC1CCCCCC1 1458a_100134613110_200000696569 [0,1,0,1,0,0|1,0,1]=4 2609 B14R1.13081 O=C(C=C(Cl)Cl)CC1CCCCCC1 1458a_100000137448_200000696569 [0,1,0,1,0,0|2,0,0]=4 2610 B14R1.13081 O=C([O-])CC(=O)CC1CCCCCC1 1458a_100000685095_100020667443 [0,1,0,1,0,0|0,0,2]=4