0 B11R0.148 C#CCCCCCNCC(=O)O 269956a_100016091260_100012094781 [0,0,0,0,0,0|1,0,3]=4 1 B11R0.148 C=C(C)CNCCCCCCC 2230a_100000229938_100000748629 [0,0,0,0,0,0|3,0,1]=4 2 B11R0.148 C=C(C)COCCCCCCC 34a_100000210245_100000210614 [0,0,0,0,0,0|3,0,1]=4 3 B11R0.148 C=C(C)COCCCCCCC 34a_100000210272_100000748629 [0,0,0,0,0,0|3,0,1]=4 4 B11R0.148 C=C(C)COCCCCCCC 7a_100000210272_100000748629 [0,0,0,0,0,0|3,0,1]=4 5 B11R0.148 C=C(C)CSCCCCCCC 62a_100000210614_100000211660 [0,0,0,0,0,0|3,0,1]=4 6 B11R0.148 C=C(C)CSCCCCCCC 62a_100000748629_100000210316 [0,0,0,0,0,0|3,0,1]=4 7 B11R0.148 C=C(F)CNCCCCCCC 2230a_100000229938_100009893438 [0,0,0,0,0,0|3,0,1]=4 8 B11R0.148 C=C(F)COCCCCCCC 34a_100000210272_100009893438 [0,0,0,0,0,0|3,0,1]=4 9 B11R0.148 C=C(F)COCCCCCCC 34a_200010262243_100000210614 [0,0,0,0,0,0|3,0,1]=4 10 B11R0.148 C=C(F)COCCCCCCC 7a_100000210272_100000042424 [0,0,0,0,0,0|3,0,1]=4 11 B11R0.148 C=C(F)CSCCCCCCC 62a_100000042424_100000210316 [0,0,0,0,0,0|3,0,1]=4 12 B11R0.148 C=C(F)CSCCCCCCC 62a_100000210614_100000042424 [0,0,0,0,0,0|3,0,1]=4 13 B11R0.148 C=CCCCCCNCC(=O)O 269956a_100016091260_100000700193 [0,0,0,0,0,0|1,0,3]=4 14 B11R0.148 CC(=O)CCCCCCCCO 1458a_100000070787_100000033203 [0,0,0,0,0,0|2,0,2]=4 15 B11R0.148 CC(=O)COCCCCCCF 34a_100000211253_100015922095 [0,0,0,0,0,0|3,0,1]=4 16 B11R0.148 CC(=O)COCCCCCCO 34a_100000211253_100000766143 [0,0,0,0,0,0|3,0,1]=4 17 B11R0.148 CC(=O)NCCCCCCCO 240690a_100011996573_100015343762 [0,0,0,0,0,0|3,0,1]=4 18 B11R0.148 CC(=O)NCCCCCCN[13CH3] 2230a_200011996284_200025704644 [0,0,0,0,0,0|3,0,1]=4 19 B11R0.148 CC(=O)NCCCCCCN[13CH3] 34a_200011996284_200025704644 [0,0,0,0,0,0|3,0,1]=4 20 B11R0.148 CCCCCC/C=C/CC(=O)C 1458a_100020681715_200000210301 [0,0,0,0,0,0|1,0,2]=3 21 B11R0.148 CCCCCC/C=C/CC(=O)[13CH3] 1458a_100020681715_200025704644 [0,0,0,0,0,0|1,0,2]=3 22 B11R0.148 CCCCCCC=NNC(=O)C 4a_100000189765_100000234349 [0,0,0,0,0,0|3,0,1]=4 23 B11R0.148 CCCCCCCC=CC(=O)C 1458a_200015332781_200000210301 [0,0,0,0,0,0|1,0,0]=1 24 B11R0.148 CCCCCCCC=CC(=O)[13CH3] 1458a_200015332781_200025704644 [0,0,0,0,0,0|1,0,0]=1 25 B11R0.148 CCCCCCCCCC(=O)C 1458a_100000070787_100000210670 [0,0,0,0,0,0|1,0,2]=3 26 B11R0.148 CCCCCCCCCC(=O)C 1458a_100000210558_200000210301 [0,0,0,0,0,0|1,0,2]=3 27 B11R0.148 CCCCCCCCCC(=O)[13CH3] 1458a_100000210558_200025704644 [0,0,0,0,0,0|1,0,2]=3 28 B11R0.148 CCCCCCCCNC(=O)C 11a_100000229939_100015343762 [0,0,0,0,0,0|2,0,1]=3 29 B11R0.148 CCCCCCCCNC(=O)C 1626a_100000229939_100015343762 [0,0,0,0,0,0|2,0,1]=3 30 B11R0.148 CCCCCCCCNC(=O)C 240690a_100000229939_100015343762 [0,0,0,0,0,0|2,0,1]=3 31 B11R0.148 CCCCCCCCNC(=O)C 527a_100000229939_100103153847 [0,0,0,0,0,0|2,0,1]=3 32 B11R0.148 CCCCCCCNCC(=O)N 2230a_100000229938_100000747473 [0,0,0,0,0,0|2,0,1]=3 33 B11R0.148 CCCCCCCNCC(=O)N 2230a_100000711301_100000210681 [0,0,0,0,0,0|2,0,1]=3 34 B11R0.148 CCCCCCCNCC(=O)O 269956a_100016091260_100000210614 [0,0,0,0,0,0|1,0,1]=2 35 B11R0.148 CCCCCCCNCC(C)O 2230a_100000210904_100000210681 [0,0,0,0,0,0|2,0,2]=4 36 B11R0.148 CCCCCCCNCC(C)O 2230a_100000229938_100011218427 [0,0,0,0,0,0|2,0,2]=4 37 B11R0.148 CCCCCCCNCC(C)O 34a_100000210904_100000210614 [0,0,0,0,0,0|2,0,2]=4 38 B11R0.148 CCCCCCCNC[C@@H](C)O 2230a_100000229938_100009817552 [0,0,0,0,0,0|2,0,2]=4 39 B11R0.148 CCCCCCCOCC(=O)C 34a_100000211253_100000210614 [0,0,0,0,0,0|2,0,1]=3 40 B11R0.148 CCCCCCCOCC(=O)N 34a_100000210272_100000187820 [0,0,0,0,0,0|2,0,1]=3 41 B11R0.148 CCCCCCCOCC(=O)N 7a_100000210272_100000187820 [0,0,0,0,0,0|2,0,1]=3 42 B11R0.148 CCCCCCCOCC(=O)[O-] 34a_100000210272_100020667443 [0,0,0,0,0,0|1,0,2]=3 43 B11R0.148 CCCCCCCOCC(C)O 34a_100000210272_100011218427 [0,0,0,0,0,0|2,0,2]=4 44 B11R0.148 CCCCCCCOCC(C)O 7a_100000210272_100011218427 [0,0,0,0,0,0|2,0,2]=4 45 B11R0.148 CCCCCCCOC[C@@H](C)O 34a_100000210272_100009817552 [0,0,0,0,0,0|2,0,2]=4 46 B11R0.148 CCCCCCCOC[C@@H](C)O 7a_100000210272_100009817552 [0,0,0,0,0,0|2,0,2]=4 47 B11R0.148 CCCCCCCOC[N+](=O)[O-] 34a_100000210272_100000761209 [0,0,0,0,0,0|2,0,2]=4 48 B11R0.148 CCCCCCCSCC(=O)N 62a_100000210614_100000747473 [0,0,0,0,0,0|2,0,1]=3 49 B11R0.148 CCCCCCCSCC(=O)N 62a_100000747473_100000210316 [0,0,0,0,0,0|2,0,1]=3 50 B11R0.148 CCCCCCCSCC(=O)[O-] 62a_100000210614_100020667443 [0,0,0,0,0,0|1,0,2]=3 51 B11R0.148 CCCCCCCSCC(=O)[O-] 62a_100020667443_100000210316 [0,0,0,0,0,0|1,0,2]=3 52 B11R0.148 CCCCCCCSCC(C)O 62a_100000210614_100011218427 [0,0,0,0,0,0|2,0,2]=4 53 B11R0.148 CCCCCCCSCC(C)O 62a_100011218427_100000210316 [0,0,0,0,0,0|2,0,2]=4 54 B11R0.148 CCCCCCCSC[C@@H](C)O 62a_100000210614_100009817552 [0,0,0,0,0,0|2,0,2]=4 55 B11R0.148 CCCCCCCSC[C@@H](C)O 62a_100009817552_100000210316 [0,0,0,0,0,0|2,0,2]=4 56 B11R0.148 CCCCCCCSC[N+](=O)[O-] 62a_100000210614_100000761209 [0,0,0,0,0,0|2,0,2]=4 57 B11R0.148 CCCCCCNCC=C(C)C 2230a_100000210581_100000761012 [0,0,0,0,0,0|3,0,1]=4 58 B11R0.148 CCCCCCNCC=C(C)C 34a_100000718196_100000210314 [0,0,0,0,0,0|3,0,1]=4 59 B11R0.148 CCCCCCNCCC(=O)N 2230a_100000210581_100000744528 [0,0,0,0,0,0|2,0,2]=4 60 B11R0.148 CCCCCCNOCC(=O)O 269956a_100000106656_100000210757 [0,0,0,0,0,0|2,0,1]=3 61 B11R0.148 CCCCCCOCC=C(C)C 34a_100000210259_100000761012 [0,0,0,0,0,0|3,0,1]=4 62 B11R0.148 CCCCCCOCC=C(C)C 34a_100000753907_100000210314 [0,0,0,0,0,0|3,0,1]=4 63 B11R0.148 CCCCCCOCC=C(C)C 7a_100000210259_100000761012 [0,0,0,0,0,0|3,0,1]=4 64 B11R0.148 CCCCCCOCCC(=O)C 34a_100000759926_100000210314 [0,0,0,0,0,0|2,0,2]=4 65 B11R0.148 CCCCCCOCCC(=O)C 7a_100000210259_100000053229 [0,0,0,0,0,0|2,0,2]=4 66 B11R0.148 CCCCCCOCCC(=O)C 7a_100000759926_100000210314 [0,0,0,0,0,0|2,0,2]=4 67 B11R0.148 CCCCCCOCCC(=O)N 34a_100000210259_100000731001 [0,0,0,0,0,0|2,0,2]=4 68 B11R0.148 CCCCCCOCCC(=O)N 34a_100000757172_100000210314 [0,0,0,0,0,0|2,0,2]=4 69 B11R0.148 CCCCCCOCCC(=O)N 7a_100000210259_100000744528 [0,0,0,0,0,0|2,0,2]=4 70 B11R0.148 CCCCCCOCCC(=O)N 7a_100000757172_100000210314 [0,0,0,0,0,0|2,0,2]=4 71 B11R0.148 CCCCCCOCOC(=O)C 34a_100000210259_100009813279 [0,0,0,0,0,0|3,0,1]=4 72 B11R0.148 CCCCCCSCC=C(C)C 62a_100000210314_100000761012 [0,0,0,0,0,0|3,0,1]=4 73 B11R0.148 CCCCCCSCC=C(C)C 62a_100000761012_100000210757 [0,0,0,0,0,0|3,0,1]=4 74 B11R0.148 CCCCCCSCCC(=O)C 62a_100000053229_100000210757 [0,0,0,0,0,0|2,0,2]=4 75 B11R0.148 CCCCCCSCCC(=O)C 62a_100000210314_100000053229 [0,0,0,0,0,0|2,0,2]=4 76 B11R0.148 CCCCCCSCCC(=O)N 62a_100000210314_100000744528 [0,0,0,0,0,0|2,0,2]=4 77 B11R0.148 CCCCCCSCCC(=O)N 62a_100000744528_100000210757 [0,0,0,0,0,0|2,0,2]=4 78 B11R0.148 CCCCCCSCOC(=O)C 62a_100000076356_100000210757 [0,0,0,0,0,0|3,0,1]=4 79 B11R0.148 CCCCCCSCOC(=O)C 62a_100000210314_100000076356 [0,0,0,0,0,0|3,0,1]=4 80 B11R0.148 CCCCCNC/C=C/B(O)O 2230a_100000209983_100016262062 [0,0,0,0,0,0|2,0,1]=3 81 B11R0.148 CCCCCNCCC=C(C)C 2230a_100000209983_100011217483 [0,0,0,0,0,0|3,0,1]=4 82 B11R0.148 CCCCCNCCC=C(F)F 2230a_100000209983_200009816681 [0,0,0,0,0,0|3,0,1]=4 83 B11R0.148 CCCCCNCCCC(=O)N 34a_100000739312_100000718602 [0,0,0,0,0,0|2,0,2]=4 84 B11R0.148 CCCCCNCCNC(=O)C 2230a_100000209853_100000210326 [0,0,0,0,0,0|3,0,1]=4 85 B11R0.148 CCCCCNCCNC(=O)C 2230a_100000209983_100000189650 [0,0,0,0,0,0|3,0,1]=4 86 B11R0.148 CCCCCNCCNC(=O)N 2230a_100000209983_200000034859 [0,0,0,0,0,0|3,0,1]=4 87 B11R0.148 CCCCCNCCNC(=O)N 34a_100020590234_100000718602 [0,0,0,0,0,0|3,0,1]=4 88 B11R0.148 CCCCCNN=CC=C(C)C 4a_100000694160_100011215525 [0,0,0,0,0,0|4,0,0]=4 89 B11R0.148 CCCCCOC/C=C/B(O)O 34a_100000210253_100016262062 [0,0,0,0,0,0|2,0,1]=3 90 B11R0.148 CCCCCOC/C=C/B(O)O 7a_100000210253_100016262062 [0,0,0,0,0,0|2,0,1]=3 91 B11R0.148 CCCCCOCCC=C(C)C 34a_100000210253_100011217483 [0,0,0,0,0,0|3,0,1]=4 92 B11R0.148 CCCCCOCCC=C(C)C 7a_100000210253_100011217483 [0,0,0,0,0,0|3,0,1]=4 93 B11R0.148 CCCCCOCCC=C(F)F 34a_100000210253_200009816681 [0,0,0,0,0,0|3,0,1]=4 94 B11R0.148 CCCCCOCCC=C(F)F 7a_100000210253_200009816681 [0,0,0,0,0,0|3,0,1]=4 95 B11R0.148 CCCCCOCCCC(=O)C 34a_100000210253_100000685027 [0,0,0,0,0,0|2,0,2]=4 96 B11R0.148 CCCCCOCCCC(=O)C 34a_100000759063_100000718602 [0,0,0,0,0,0|2,0,2]=4 97 B11R0.148 CCCCCOCCCC(=O)C 7a_100000210253_100011215641 [0,0,0,0,0,0|2,0,2]=4 98 B11R0.148 CCCCCOCCCC(=O)C 7a_100000759063_100000210326 [0,0,0,0,0,0|2,0,2]=4 99 B11R0.148 CCCCCOCCCC(=O)N 34a_100000210253_100102525003 [0,0,0,0,0,0|2,0,2]=4 100 B11R0.148 CCCCCOCCCC(=O)N 7a_100000210253_100102525003 [0,0,0,0,0,0|2,0,2]=4 101 B11R0.148 CCCCCOCCNC(=O)C 34a_100000158858_100000718602 [0,0,0,0,0,0|3,0,1]=4 102 B11R0.148 CCCCCOCCNC(=O)C 7a_100000210253_100000189650 [0,0,0,0,0,0|3,0,1]=4 103 B11R0.148 CCCCCOCCNC(=O)N 34a_100000181757_100000718602 [0,0,0,0,0,0|3,0,1]=4 104 B11R0.148 CCCCCOCCNC(=O)N 7a_100000210253_200000034859 [0,0,0,0,0,0|3,0,1]=4 105 B11R0.148 CCCCCOCCOC(=O)C 34a_100000210253_100009814007 [0,0,0,0,0,0|3,0,1]=4 106 B11R0.148 CCCCCOCCOC(=O)C 7a_100000210253_100009814007 [0,0,0,0,0,0|3,0,1]=4 107 B11R0.148 CCCCCOCCOC(=O)N 34a_100000210253_200011214921 [0,0,0,0,0,0|3,0,1]=4 108 B11R0.148 CCCCCOCCOC(=O)N 7a_100000210253_200011214921 [0,0,0,0,0,0|3,0,1]=4 109 B11R0.148 CCCCCOCCOC(=O)N 7a_100000766696_100000210326 [0,0,0,0,0,0|3,0,1]=4 110 B11R0.148 CCCCCSC/C=C/B(O)O 62a_100000210326_100016262062 [0,0,0,0,0,0|2,0,1]=3 111 B11R0.148 CCCCCSC/C=C/B(O)O 62a_100016262062_100000210326 [0,0,0,0,0,0|2,0,1]=3 112 B11R0.148 CCCCCSCCC=C(C)C 62a_100000210326_100011217483 [0,0,0,0,0,0|3,0,1]=4 113 B11R0.148 CCCCCSCCC=C(C)C 62a_100011217483_100000210326 [0,0,0,0,0,0|3,0,1]=4 114 B11R0.148 CCCCCSCCC=C(F)F 62a_100000210326_200009816681 [0,0,0,0,0,0|3,0,1]=4 115 B11R0.148 CCCCCSCCC=C(F)F 62a_200009816681_100000210326 [0,0,0,0,0,0|3,0,1]=4 116 B11R0.148 CCCCCSCCCC(=O)C 62a_100000210326_100011215641 [0,0,0,0,0,0|2,0,2]=4 117 B11R0.148 CCCCCSCCCC(=O)C 62a_100011215641_100000210326 [0,0,0,0,0,0|2,0,2]=4 118 B11R0.148 CCCCCSCCCC(=O)N 62a_100000210326_100102525003 [0,0,0,0,0,0|2,0,2]=4 119 B11R0.148 CCCCCSCCCC(=O)N 62a_100102525003_100000210326 [0,0,0,0,0,0|2,0,2]=4 120 B11R0.148 CCCCCSCCNC(=O)C 62a_100000189650_100000210326 [0,0,0,0,0,0|3,0,1]=4 121 B11R0.148 CCCCCSCCNC(=O)C 62a_100000210326_100000189650 [0,0,0,0,0,0|3,0,1]=4 122 B11R0.148 CCCCCSCCNC(=O)N 62a_100000210326_200000034859 [0,0,0,0,0,0|3,0,1]=4 123 B11R0.148 CCCCCSCCNC(=O)N 62a_200000034859_100000210326 [0,0,0,0,0,0|3,0,1]=4 124 B11R0.148 CCCCCSCCOC(=O)C 62a_100000210326_100009814007 [0,0,0,0,0,0|3,0,1]=4 125 B11R0.148 CCCCCSCCOC(=O)C 62a_100009814007_100000210326 [0,0,0,0,0,0|3,0,1]=4 126 B11R0.148 CCCCCSCCOC(=O)N 62a_100000210326_200011214921 [0,0,0,0,0,0|3,0,1]=4 127 B11R0.148 CCCCCSCCOC(=O)N 62a_200011214921_100000210326 [0,0,0,0,0,0|3,0,1]=4 128 B11R0.148 CCCCNCCCCC(=O)C 7a_106832991798_100000735457 [0,0,0,0,0,0|2,0,2]=4 129 B11R0.148 CCCCNCCCCC(=O)N 34a_100000696515_100000210210 [0,0,0,0,0,0|2,0,2]=4 130 B11R0.148 CCCCNCCCNC(=O)C 34a_100000736810_100000210210 [0,0,0,0,0,0|3,0,1]=4 131 B11R0.148 CCCCNCCCOC(=O)C 7a_106832991798_100000042594 [0,0,0,0,0,0|3,0,1]=4 132 B11R0.148 CCCCNCCCSC(=O)C 2230a_100000102301_100000038929 [0,0,0,0,0,0|3,0,1]=4 133 B11R0.148 CCCCNCCCSC(=O)C 7a_106832991798_100000038929 [0,0,0,0,0,0|3,0,1]=4 134 B11R0.148 CCCCNCCOCC(=O)N 2230a_100000102301_100000076697 [0,0,0,0,0,0|3,0,1]=4 135 B11R0.148 CCCCNCCOCC(=O)N 7a_106832991798_100000076697 [0,0,0,0,0,0|3,0,1]=4 136 B11R0.148 CCCCNCCOCC(=O)O 269956a_100000700818_100000210211 [0,0,0,0,0,0|2,0,1]=3 137 B11R0.148 CCCCOCCCCC(=O)C 34a_100000210227_100009817362 [0,0,0,0,0,0|2,0,2]=4 138 B11R0.148 CCCCOCCCCC(=O)C 7a_100000210227_100000735457 [0,0,0,0,0,0|2,0,2]=4 139 B11R0.148 CCCCOCCCCC(=O)N 34a_100012022536_100000210210 [0,0,0,0,0,0|2,0,2]=4 140 B11R0.148 CCCCOCCCCC(=O)N 7a_100012022536_100000210211 [0,0,0,0,0,0|2,0,2]=4 141 B11R0.148 CCCCOCCCNC(=O)C 1626a_200000211371_100015343762 [0,0,0,0,0,0|3,0,1]=4 142 B11R0.148 CCCCOCCCNC(=O)C 240690a_200000211371_100015343762 [0,0,0,0,0,0|3,0,1]=4 143 B11R0.148 CCCCOCCCNC(=O)C 34a_100000752032_100000210210 [0,0,0,0,0,0|3,0,1]=4 144 B11R0.148 CCCCOCCCNC(=O)C 527a_200000211371_100103153847 [0,0,0,0,0,0|3,0,1]=4 145 B11R0.148 CCCCOCCCOC(=O)C 34a_100000210227_100000042594 [0,0,0,0,0,0|3,0,1]=4 146 B11R0.148 CCCCOCCCOC(=O)C 7a_100000210227_100000042594 [0,0,0,0,0,0|3,0,1]=4 147 B11R0.148 CCCCOCCCSC(=O)C 34a_100000210227_100000038929 [0,0,0,0,0,0|3,0,1]=4 148 B11R0.148 CCCCOCCCSC(=O)C 7a_100000210227_100000038929 [0,0,0,0,0,0|3,0,1]=4 149 B11R0.148 CCCCOCCNCC(=O)N 2230a_100000711301_100000743108 [0,0,0,0,0,0|3,0,1]=4 150 B11R0.148 CCCCOCCNCC(=O)O 269956a_100016091260_100000743108 [0,0,0,0,0,0|2,0,1]=3 151 B11R0.148 CCCCOCCOCC(=O)C 1458a_100011216887_200000210301 [0,0,0,0,0,0|3,0,1]=4 152 B11R0.148 CCCCOCCOCC(=O)C 34a_100000211253_100000743108 [0,0,0,0,0,0|3,0,1]=4 153 B11R0.148 CCCCOCCOCC(=O)N 34a_100000210227_100000076697 [0,0,0,0,0,0|3,0,1]=4 154 B11R0.148 CCCCOCCOCC(=O)N 34a_100000210238_100000187820 [0,0,0,0,0,0|3,0,1]=4 155 B11R0.148 CCCCOCCOCC(=O)N 7a_100000210227_100000076697 [0,0,0,0,0,0|3,0,1]=4 156 B11R0.148 CCCCOCCOCC(=O)N 7a_100000210238_100000187820 [0,0,0,0,0,0|3,0,1]=4 157 B11R0.148 CCCCOCCOCC(=O)[13CH3] 1458a_100011216887_200025704644 [0,0,0,0,0,0|3,0,1]=4 158 B11R0.148 CCCCOCCOCC(=O)[O-] 34a_100000210238_100020667443 [0,0,0,0,0,0|2,0,2]=4 159 B11R0.148 CCCCOCCSCC(=O)N 62a_100000743108_100000747473 [0,0,0,0,0,0|3,0,1]=4 160 B11R0.148 CCCCOCCSCC(=O)N 62a_100000747473_100000743108 [0,0,0,0,0,0|3,0,1]=4 161 B11R0.148 CCCCOCCSCC(=O)[O-] 62a_100000743108_100020667443 [0,0,0,0,0,0|2,0,2]=4 162 B11R0.148 CCCCOCCSCC(=O)[O-] 62a_100020667443_100000743108 [0,0,0,0,0,0|2,0,2]=4 163 B11R0.148 CCCCOCNOCC(=O)O 269956a_100000106656_100011995733 [0,0,0,0,0,0|3,0,1]=4 164 B11R0.148 CCCCSCCCCC(=O)C 62a_100000210211_100000735457 [0,0,0,0,0,0|2,0,2]=4 165 B11R0.148 CCCCSCCCCC(=O)C 62a_100000735457_100000210210 [0,0,0,0,0,0|2,0,2]=4 166 B11R0.148 CCCCSCCCOC(=O)C 62a_100000042594_100000210210 [0,0,0,0,0,0|3,0,1]=4 167 B11R0.148 CCCCSCCCOC(=O)C 62a_100000210211_100000042594 [0,0,0,0,0,0|3,0,1]=4 168 B11R0.148 CCCCSCCCSC(=O)C 62a_100000038929_100000210210 [0,0,0,0,0,0|3,0,1]=4 169 B11R0.148 CCCCSCCCSC(=O)C 62a_100000210211_100000038929 [0,0,0,0,0,0|3,0,1]=4 170 B11R0.148 CCCCSCCNCC(=O)N 2230a_100025743550_100000747473 [0,0,0,0,0,0|3,0,1]=4 171 B11R0.148 CCCCSCCOCC(=O)N 34a_200000230436_100000187820 [0,0,0,0,0,0|3,0,1]=4 172 B11R0.148 CCCCSCCOCC(=O)N 62a_100000076697_100000210210 [0,0,0,0,0,0|3,0,1]=4 173 B11R0.148 CCCCSCCOCC(=O)N 62a_100000210211_100000076697 [0,0,0,0,0,0|3,0,1]=4 174 B11R0.148 CCCCSCCOCC(=O)N 7a_200000230436_100000187820 [0,0,0,0,0,0|3,0,1]=4 175 B11R0.148 CCCCSCCOCC(=O)[O-] 34a_200000230436_100020667443 [0,0,0,0,0,0|2,0,2]=4 176 B11R0.148 CCCNCCCCNC(=O)C 2230a_200011368371_100000210303 [0,0,0,0,0,0|3,0,1]=4 177 B11R0.148 CCCNCCCCNC(=O)C 34a_200011368371_100000210303 [0,0,0,0,0,0|3,0,1]=4 178 B11R0.148 CCCOCCC/C=C/B(O)O 34a_100000210258_200016261450 [0,0,0,0,0,0|2,0,1]=3 179 B11R0.148 CCCOCCCCCC(=O)N 34a_100000123541_100000210303 [0,0,0,0,0,0|2,0,2]=4 180 B11R0.148 CCCOCCCCCC(=O)N 34a_100000210258_100009817443 [0,0,0,0,0,0|2,0,2]=4 181 B11R0.148 CCCOCCCCCC(=O)N 7a_100000123541_100000210303 [0,0,0,0,0,0|2,0,2]=4 182 B11R0.148 CCCOCCCCCC(=O)[O-] 7a_100102619762_100000210303 [0,0,0,0,0,0|1,0,3]=4 183 B11R0.148 CCCOCCCCOC(=O)C 34a_100000073216_100000210303 [0,0,0,0,0,0|3,0,1]=4 184 B11R0.148 CCCOCCCCOC(=O)C 34a_100000210258_100000033659 [0,0,0,0,0,0|3,0,1]=4 185 B11R0.148 CCCOCCCCOC(=O)C 7a_100000073216_100000210303 [0,0,0,0,0,0|3,0,1]=4 186 B11R0.148 CCCOCCCCSC(=O)C 34a_100000210258_200010402107 [0,0,0,0,0,0|3,0,1]=4 187 B11R0.148 CCCOCCCNCC(=O)N 2230a_100011217757_100000747473 [0,0,0,0,0,0|3,0,1]=4 188 B11R0.148 CCCOCCCNCC(=O)N 34a_100011217757_100000187820 [0,0,0,0,0,0|3,0,1]=4 189 B11R0.148 CCCOCCCNCC(=O)[O-] 34a_100011217757_100020667443 [0,0,0,0,0,0|2,0,2]=4 190 B11R0.148 CCCOCCNOCC(=O)O 269956a_100000106656_100011215938 [0,0,0,0,0,0|3,0,1]=4 191 B11R0.148 CCCSCCC/C=C/B(O)O 62a_100000210303_200016261450 [0,0,0,0,0,0|2,0,1]=3 192 B11R0.148 CCCSCCC/C=C/B(O)O 62a_200016261450_100000210303 [0,0,0,0,0,0|2,0,1]=3 193 B11R0.148 CCCSCCCCCC(=O)N 62a_100000210303_100009817443 [0,0,0,0,0,0|2,0,2]=4 194 B11R0.148 CCCSCCCCCC(=O)N 62a_100009817443_100000210303 [0,0,0,0,0,0|2,0,2]=4 195 B11R0.148 CCCSCCCCOC(=O)C 62a_100000033659_100000210303 [0,0,0,0,0,0|3,0,1]=4 196 B11R0.148 CCCSCCCCOC(=O)C 62a_100000210303_100000033659 [0,0,0,0,0,0|3,0,1]=4 197 B11R0.148 CCCSCCCCSC(=O)C 62a_100000210303_200010402107 [0,0,0,0,0,0|3,0,1]=4 198 B11R0.148 CCCSCCCCSC(=O)C 62a_200010402107_100000210303 [0,0,0,0,0,0|3,0,1]=4 199 B11R0.148 CCNCCCCCNC(=O)C 2230a_200012022750_100000210202 [0,0,0,0,0,0|3,0,1]=4 200 B11R0.148 CCNCCCCCNC(=O)C 34a_200012022750_100000210202 [0,0,0,0,0,0|3,0,1]=4 201 B11R0.148 CCNCCCCCOC(=O)C 2230a_100015525214_100009813381 [0,0,0,0,0,0|3,0,1]=4 202 B11R0.148 CCOCCCCCOC(=O)C 34a_100121572206_100000033007 [0,0,0,0,0,0|3,0,1]=4 203 B11R0.148 CCOCCCNOCC(=O)O 269956a_100000106656_100012232248 [0,0,0,0,0,0|3,0,1]=4 204 B11R0.148 CCOCCNC/C=C/B(O)O 2230a_102516460346_100016262062 [0,0,0,0,0,0|3,0,1]=4 205 B11R0.148 CCOCCNC/C=C/B(O)O 34a_102516460346_100016262062 [0,0,0,0,0,0|3,0,1]=4 206 B11R0.148 CCOCCOC/C=C/B(O)O 34a_100000210136_100016262062 [0,0,0,0,0,0|3,0,1]=4 207 B11R0.148 CCOCCOC/C=C/B(O)O 7a_100000210136_100016262062 [0,0,0,0,0,0|3,0,1]=4 208 B11R0.148 CCOCCSC/C=C/B(O)O 62a_100000210147_100016262062 [0,0,0,0,0,0|3,0,1]=4 209 B11R0.148 CCOCCSC/C=C/B(O)O 62a_100016262062_100011215890 [0,0,0,0,0,0|3,0,1]=4 210 B11R0.148 CCOCNCCOCC(=O)O 269956a_100000700818_100000739092 [0,0,0,0,0,0|3,0,1]=4 211 B11R0.148 CCSCCCCCOC(=O)C 62a_100000033007_100000210202 [0,0,0,0,0,0|3,0,1]=4 212 B11R0.148 CCSCCCCCOC(=O)C 62a_100000210202_100000033007 [0,0,0,0,0,0|3,0,1]=4 213 B11R0.148 CCSCCNC/C=C/B(O)O 2230a_100000106463_100016262062 [0,0,0,0,0,0|3,0,1]=4 214 B11R0.148 CCSCCOC/C=C/B(O)O 34a_100000212035_100016262062 [0,0,0,0,0,0|3,0,1]=4 215 B11R0.148 CCSCCOC/C=C/B(O)O 7a_100000212035_100016262062 [0,0,0,0,0,0|3,0,1]=4 216 B11R0.148 CCSCCSC/C=C/B(O)O 62a_100000757381_100016262062 [0,0,0,0,0,0|3,0,1]=4 217 B11R0.148 CCSCCSC/C=C/B(O)O 62a_100016262062_100000757381 [0,0,0,0,0,0|3,0,1]=4 218 B11R0.148 CNCCCCCCNC(=O)C 2230a_200011996284_200000210301 [0,0,0,0,0,0|3,0,1]=4 219 B11R0.148 CNCCCCCCNC(=O)C 34a_200011996284_200000210301 [0,0,0,0,0,0|3,0,1]=4 220 B11R0.148 CNCCCCCOCC(=O)N 34a_100000722520_100000187820 [0,0,0,0,0,0|3,0,1]=4 221 B11R0.148 CNCCCCCOCC(=O)[O-] 34a_100000722520_100020667443 [0,0,0,0,0,0|2,0,2]=4 222 B11R0.148 CNCCCOC/C=C/B(O)O 34a_100000213112_100016262062 [0,0,0,0,0,0|3,0,1]=4 223 B11R0.148 CNCCOCCOCC(=O)O 269956a_100009854275_200000210301 [0,0,0,0,0,0|3,0,1]=4 224 B11R0.148 COCCCCCNCC(=O)N 2230a_100000747528_100000747473 [0,0,0,0,0,0|3,0,1]=4 225 B11R0.148 COCCCCCNCC(=O)N 34a_100000747528_100000187820 [0,0,0,0,0,0|3,0,1]=4 226 B11R0.148 COCCCCCNCC(=O)[O-] 34a_100000747528_100020667443 [0,0,0,0,0,0|2,0,2]=4 227 B11R0.148 COCCCCNOCC(=O)O 269956a_100000106656_100000730899 [0,0,0,0,0,0|3,0,1]=4 228 B11R0.148 COCCCNC/C=C/B(O)O 34a_100150723488_100016262062 [0,0,0,0,0,0|3,0,1]=4 229 B11R0.148 COCCCOC/C=C/B(O)O 34a_100000740835_100016262062 [0,0,0,0,0,0|3,0,1]=4 230 B11R0.148 COCCCSC/C=C/B(O)O 62a_100000709357_100016262062 [0,0,0,0,0,0|3,0,1]=4 231 B11R0.148 COCCCSC/C=C/B(O)O 62a_100016262062_100000709357 [0,0,0,0,0,0|3,0,1]=4 232 B11R0.148 COCCNCCOCC(=O)O 269956a_100000700818_100000233755 [0,0,0,0,0,0|3,0,1]=4 233 B11R0.148 COCCOCCNCC(=O)O 269956a_100016091260_100000695917 [0,0,0,0,0,0|3,0,1]=4 234 B11R0.148 COCSCCC/C=C/B(O)O 62a_100000766300_200016261450 [0,0,0,0,0,0|3,0,1]=4 235 B11R0.148 COCSCCC/C=C/B(O)O 62a_200016261450_100000766300 [0,0,0,0,0,0|3,0,1]=4 236 B11R0.148 CSCCCNC/C=C/B(O)O 2230a_100000749238_100016262062 [0,0,0,0,0,0|3,0,1]=4 237 B11R0.148 CSCCCOC/C=C/B(O)O 34a_100000690336_100016262062 [0,0,0,0,0,0|3,0,1]=4 238 B11R0.148 CSCCCOC/C=C/B(O)O 7a_100000690336_100016262062 [0,0,0,0,0,0|3,0,1]=4 239 B11R0.148 CSCCNCCOCC(=O)O 269956a_100000700818_100000212216 [0,0,0,0,0,0|3,0,1]=4 240 B11R0.148 CSCSCCC/C=C/B(O)O 62a_100011218213_200016261450 [0,0,0,0,0,0|3,0,1]=4 241 B11R0.148 CSCSCCC/C=C/B(O)O 62a_200016261450_100011218213 [0,0,0,0,0,0|3,0,1]=4 242 B11R0.148 N#CCCCCCNCC(=O)O 269956a_100016091260_100009813376 [0,0,0,0,0,0|2,0,2]=4 243 B11R0.148 NC(=O)CNCCCCCCF 2230a_100000711301_100015922095 [0,0,0,0,0,0|3,0,1]=4 244 B11R0.148 NC(=O)CNCCCCCCO 2230a_100000686447_100000747473 [0,0,0,0,0,0|3,0,1]=4 245 B11R0.148 NC(=O)CNCCCCCCO 2230a_100000711301_100000766143 [0,0,0,0,0,0|3,0,1]=4 246 B11R0.148 NC(=O)CNCCCCCCO 34a_100000686447_100000187820 [0,0,0,0,0,0|3,0,1]=4 247 B11R0.148 NC(=O)COCCCCCCBr 34a_100011215345_100000187820 [0,0,0,0,0,0|3,0,1]=4 248 B11R0.148 NC(=O)COCCCCCCBr 7a_100011215345_100000187820 [0,0,0,0,0,0|3,0,1]=4 249 B11R0.148 NC(=O)COCCCCCCCl 34a_100000766143_100000187820 [0,0,0,0,0,0|3,0,1]=4 250 B11R0.148 NC(=O)COCCCCCCCl 7a_100000766143_100000187820 [0,0,0,0,0,0|3,0,1]=4 251 B11R0.148 NC(=O)COCCCCCCF 34a_100000732779_100000187820 [0,0,0,0,0,0|3,0,1]=4 252 B11R0.148 NC(=O)COCCCCCCF 7a_100000732779_100000187820 [0,0,0,0,0,0|3,0,1]=4 253 B11R0.148 NC(=O)CSCCCCCCF 62a_100000747473_100015922095 [0,0,0,0,0,0|3,0,1]=4 254 B11R0.148 NC(=O)CSCCCCCCF 62a_100015922095_100000747473 [0,0,0,0,0,0|3,0,1]=4 255 B11R0.148 NC(=O)CSCCCCCCO 62a_100000747473_100000766143 [0,0,0,0,0,0|3,0,1]=4 256 B11R0.148 NC(=O)CSCCCCCCO 62a_100000766143_100000747473 [0,0,0,0,0,0|3,0,1]=4 257 B11R0.148 NCCCCCCOCC(=O)N 34a_100000686447_100000187820 [0,0,0,0,0,0|3,0,1]=4 258 B11R0.148 NCCCCCCOCC(=O)[O-] 34a_100000686447_100020667443 [0,0,0,0,0,0|2,0,2]=4 259 B11R0.148 NCCCCOC/C=C/B(O)O 34a_100000750430_100016262062 [0,0,0,0,0,0|3,0,1]=4 260 B11R0.148 NCCOCCC/C=C/B(O)O 34a_100000210304_200016261450 [0,0,0,0,0,0|3,0,1]=4 261 B11R0.148 O=C(O)CNCCCCCCF 269956a_100016091260_100015922095 [0,0,0,0,0,0|2,0,1]=3 262 B11R0.148 O=C(O)CNCCCCCCO 269956a_100016091260_100000766143 [0,0,0,0,0,0|2,0,1]=3 263 B11R0.148 O=C(O)COCCNCCCF 269956a_100000700818_100011934791 [0,0,0,0,0,0|3,0,1]=4 264 B11R0.148 O=C(O)COCCNCCCO 269956a_100000700818_100011215043 [0,0,0,0,0,0|3,0,1]=4 265 B11R0.148 O=C(O)CONCCCCCF 269956a_100000106656_100000729378 [0,0,0,0,0,0|3,0,1]=4 266 B11R0.148 O=C(O)CONCCCCCO 269956a_100000106656_100000746330 [0,0,0,0,0,0|3,0,1]=4 267 B11R0.148 O=C([O-])CNCCCCCCO 34a_100000686447_100020667443 [0,0,0,0,0,0|2,0,2]=4 268 B11R0.148 O=C([O-])COCCCCCCBr 34a_100011215345_100020667443 [0,0,0,0,0,0|2,0,2]=4 269 B11R0.148 O=C([O-])COCCCCCCCl 34a_100000766143_100020667443 [0,0,0,0,0,0|2,0,2]=4 270 B11R0.148 O=C([O-])COCCCCCCF 34a_100000732779_100020667443 [0,0,0,0,0,0|2,0,2]=4 271 B11R0.148 O=C([O-])CSCCCCCCF 62a_100015922095_100020667443 [0,0,0,0,0,0|2,0,2]=4 272 B11R0.148 O=C([O-])CSCCCCCCF 62a_100020667443_100015922095 [0,0,0,0,0,0|2,0,2]=4 273 B11R0.148 O=C([O-])CSCCCCCCO 62a_100000766143_100020667443 [0,0,0,0,0,0|2,0,2]=4 274 B11R0.148 O=C([O-])CSCCCCCCO 62a_100020667443_100000766143 [0,0,0,0,0,0|2,0,2]=4 275 B11R0.148 O=CCCCCCNCC(=O)O 269956a_100016091260_100000139337 [0,0,0,0,0,0|2,0,2]=4 276 B11R0.148 OB(O)/C=C/CCCNCCF 34a_100000724931_200016261450 [0,0,0,0,0,0|3,0,1]=4 277 B11R0.148 OB(O)/C=C/CCCOCCBr 34a_100000211926_200016261450 [0,0,0,0,0,0|3,0,1]=4 278 B11R0.148 OB(O)/C=C/CCCSCCF 62a_100011217306_200016261450 [0,0,0,0,0,0|3,0,1]=4 279 B11R0.148 OB(O)/C=C/CCCSCCF 62a_200016261450_100011217306 [0,0,0,0,0,0|3,0,1]=4 280 B11R0.148 OB(O)/C=C/COCCCCBr 34a_100011216708_100016262062 [0,0,0,0,0,0|3,0,1]=4 281 B11R0.148 OB(O)/C=C/COCCCCCl 34a_100000210776_100016262062 [0,0,0,0,0,0|3,0,1]=4 282 B11R0.148 OB(O)/C=C/COCCCCCl 7a_100000210776_100016262062 [0,0,0,0,0,0|3,0,1]=4 283 B11R0.148 OB(O)/C=C/COCCCCF 34a_100011995726_100016262062 [0,0,0,0,0,0|3,0,1]=4 284 B11R0.148 OB(O)/C=C/COCCCCF 7a_100011995726_100016262062 [0,0,0,0,0,0|3,0,1]=4 285 B11R0.148 OB(O)/C=C/COCCCCI 34a_200012148704_100016262062 [0,0,0,0,0,0|3,0,1]=4 286 B11R0.148 OB(O)/C=C/CSCCCCF 62a_100000729493_100016262062 [0,0,0,0,0,0|3,0,1]=4 287 B11R0.148 OB(O)/C=C/CSCCCCF 62a_100016262062_100000729493 [0,0,0,0,0,0|3,0,1]=4 288 B11R0.148 OCCCCNC/C=C/B(O)O 2230a_100000750430_100016262062 [0,0,0,0,0,0|3,0,1]=4 289 B11R0.148 OCCCCNC/C=C/B(O)O 34a_100000750430_100016262062 [0,0,0,0,0,0|3,0,1]=4 290 B11R0.148 OCCCCSC/C=C/B(O)O 62a_100000210776_100016262062 [0,0,0,0,0,0|3,0,1]=4 291 B11R0.148 OCCCCSC/C=C/B(O)O 62a_100016262062_100000210776 [0,0,0,0,0,0|3,0,1]=4 292 B11R0.148 OCCNCCC/C=C/B(O)O 2230a_100016997473_200016261450 [0,0,0,0,0,0|3,0,1]=4 293 B11R0.148 OCCNCCC/C=C/B(O)O 34a_100016990907_200016261450 [0,0,0,0,0,0|3,0,1]=4 294 B11R0.148 OCCSCCC/C=C/B(O)O 62a_100000211926_200016261450 [0,0,0,0,0,0|3,0,1]=4 295 B11R0.148 OCCSCCC/C=C/B(O)O 62a_200016261450_100000211926 [0,0,0,0,0,0|3,0,1]=4 296 B11R0.148 [13CH3]NCCOCCOCC(=O)O 269956a_100009854275_200025704644 [0,0,0,0,0,0|3,0,1]=4 297 B10R0.4 CC(=O)CCCCCCCO 1458a_100000070787_100000760002 [1,0,0,0,0,0|2,0,1]=4 298 B10R0.4 CC(=O)CCCCCCCO 1458a_100011219782_200000210301 [1,0,0,0,0,0|2,0,1]=4 299 B10R0.4 CC(=O)NCCCCCCO 240690a_100000686447_100015343762 [1,0,0,0,0,0|3,0,0]=4 300 B10R0.4 CC(=O)NCCCCCCO 527a_100000686447_100103153847 [1,0,0,0,0,0|3,0,0]=4 301 B10R0.4 CC(=O)NCCCCCN[13CH3] 2230a_200012022750_200025704644 [1,0,0,0,0,0|3,0,0]=4 302 B10R0.4 CC(=O)NCCCCCN[13CH3] 34a_200012022750_200025704644 [1,0,0,0,0,0|3,0,0]=4 303 B10R0.4 CC(=O)OCCCCCS[13CH3] 62a_100000033007_200025704644 [1,0,0,0,0,0|3,0,0]=4 304 B10R0.4 CC(=O)OCCCCCS[13CH3] 62a_200025704644_100000033007 [1,0,0,0,0,0|3,0,0]=4 305 B10R0.4 CCCCC/C=C/CC(=O)C 1458a_100020675968_200000210301 [1,0,0,0,0,0|1,0,2]=4 306 B10R0.4 CCCCC/C=C/CC(=O)[13CH3] 1458a_100020675968_200025704644 [1,0,0,0,0,0|1,0,2]=4 307 B10R0.4 CCCCCCC=CC(=O)C 1458a_200015324643_200000210301 [1,0,0,0,0,0|1,0,0]=2 308 B10R0.4 CCCCCCC=CC(=O)[13CH3] 1458a_200015324643_200025704644 [1,0,0,0,0,0|1,0,0]=2 309 B10R0.4 CCCCCCCCC(=O)C 1458a_100000070787_100000210759 [1,0,0,0,0,0|1,0,1]=3 310 B10R0.4 CCCCCCCCC(=O)C 1458a_100000210188_200000210301 [1,0,0,0,0,0|1,0,1]=3 311 B10R0.4 CCCCCCCCC(=O)[13CH3] 1458a_100000210188_200025704644 [1,0,0,0,0,0|1,0,1]=3 312 B10R0.4 CCCCCCCNC(=O)C 11a_100000229938_100015343762 [1,0,0,0,0,0|2,0,0]=3 313 B10R0.4 CCCCCCCNC(=O)C 1626a_100000229938_100015343762 [1,0,0,0,0,0|2,0,0]=3 314 B10R0.4 CCCCCCCNC(=O)C 240690a_100000229938_100015343762 [1,0,0,0,0,0|2,0,0]=3 315 B10R0.4 CCCCCCCNC(=O)C 527a_100000229938_100103153847 [1,0,0,0,0,0|2,0,0]=3 316 B10R0.4 CCCCCCNCC(=O)N 2230a_100000210581_100000747473 [1,0,0,0,0,0|2,0,1]=4 317 B10R0.4 CCCCCCNCC(=O)N 2230a_100000711301_100000210314 [1,0,0,0,0,0|2,0,1]=4 318 B10R0.4 CCCCCCNCC(=O)O 269956a_100016091260_100000210757 [1,0,0,0,0,0|1,0,1]=3 319 B10R0.4 CCCCCCOCC(=O)C 34a_100000211253_100000210314 [1,0,0,0,0,0|2,0,1]=4 320 B10R0.4 CCCCCCOCC(=O)N 34a_100000210259_100000187820 [1,0,0,0,0,0|2,0,1]=4 321 B10R0.4 CCCCCCOCC(=O)N 7a_100000210259_100000187820 [1,0,0,0,0,0|2,0,1]=4 322 B10R0.4 CCCCCCOCC(=O)[O-] 34a_100000210259_100020667443 [1,0,0,0,0,0|1,0,2]=4 323 B10R0.4 CCCCCCSCC(=O)N 62a_100000210314_100000747473 [1,0,0,0,0,0|2,0,1]=4 324 B10R0.4 CCCCCCSCC(=O)N 62a_100000747473_100000210757 [1,0,0,0,0,0|2,0,1]=4 325 B10R0.4 CCCCCCSCC(=O)[O-] 62a_100000210314_100020667443 [1,0,0,0,0,0|1,0,2]=4 326 B10R0.4 CCCCCCSCC(=O)[O-] 62a_100020667443_100000210757 [1,0,0,0,0,0|1,0,2]=4 327 B10R0.4 CCCCCNCC=C(C)C 2230a_100000209983_100000761012 [1,0,0,0,0,0|3,0,0]=4 328 B10R0.4 CCCCCNCC=C(C)C 34a_100000718196_100000718602 [1,0,0,0,0,0|3,0,0]=4 329 B10R0.4 CCCCCNCCC(=O)N 2230a_100000209983_100000744528 [1,0,0,0,0,0|2,0,1]=4 330 B10R0.4 CCCCCNOCC(=O)O 269956a_100000106656_100000210326 [1,0,0,0,0,0|2,0,1]=4 331 B10R0.4 CCCCCOCC=C(C)C 34a_100000210253_100000761012 [1,0,0,0,0,0|3,0,0]=4 332 B10R0.4 CCCCCOCC=C(C)C 34a_100000753907_100000718602 [1,0,0,0,0,0|3,0,0]=4 333 B10R0.4 CCCCCOCC=C(C)C 7a_100000210253_100000761012 [1,0,0,0,0,0|3,0,0]=4 334 B10R0.4 CCCCCOCCC(=O)C 34a_100000759926_100000718602 [1,0,0,0,0,0|2,0,1]=4 335 B10R0.4 CCCCCOCCC(=O)C 7a_100000210253_100000053229 [1,0,0,0,0,0|2,0,1]=4 336 B10R0.4 CCCCCOCCC(=O)C 7a_100000759926_100000210326 [1,0,0,0,0,0|2,0,1]=4 337 B10R0.4 CCCCCOCCC(=O)N 34a_100000210253_100000731001 [1,0,0,0,0,0|2,0,1]=4 338 B10R0.4 CCCCCOCCC(=O)N 34a_100000757172_100000718602 [1,0,0,0,0,0|2,0,1]=4 339 B10R0.4 CCCCCOCCC(=O)N 7a_100000210253_100000744528 [1,0,0,0,0,0|2,0,1]=4 340 B10R0.4 CCCCCOCCC(=O)N 7a_100000757172_100000210326 [1,0,0,0,0,0|2,0,1]=4 341 B10R0.4 CCCCCOCOC(=O)C 34a_100000210253_100009813279 [1,0,0,0,0,0|3,0,0]=4 342 B10R0.4 CCCCCSCC=C(C)C 62a_100000210326_100000761012 [1,0,0,0,0,0|3,0,0]=4 343 B10R0.4 CCCCCSCC=C(C)C 62a_100000761012_100000210326 [1,0,0,0,0,0|3,0,0]=4 344 B10R0.4 CCCCCSCCC(=O)C 62a_100000053229_100000210326 [1,0,0,0,0,0|2,0,1]=4 345 B10R0.4 CCCCCSCCC(=O)C 62a_100000210326_100000053229 [1,0,0,0,0,0|2,0,1]=4 346 B10R0.4 CCCCCSCCC(=O)N 62a_100000210326_100000744528 [1,0,0,0,0,0|2,0,1]=4 347 B10R0.4 CCCCCSCCC(=O)N 62a_100000744528_100000210326 [1,0,0,0,0,0|2,0,1]=4 348 B10R0.4 CCCCCSCOC(=O)C 62a_100000076356_100000210326 [1,0,0,0,0,0|3,0,0]=4 349 B10R0.4 CCCCCSCOC(=O)C 62a_100000210326_100000076356 [1,0,0,0,0,0|3,0,0]=4 350 B10R0.4 CCCCNC/C=C/B(O)O 2230a_100000102301_100016262062 [1,0,0,0,0,0|2,0,1]=4 351 B10R0.4 CCCCNC/C=C/B(O)O 7a_106832991798_100016262062 [1,0,0,0,0,0|2,0,1]=4 352 B10R0.4 CCCCNCCC=C(C)C 2230a_100000102301_100011217483 [1,0,0,0,0,0|3,0,0]=4 353 B10R0.4 CCCCNCCC=C(C)C 7a_106832991798_100011217483 [1,0,0,0,0,0|3,0,0]=4 354 B10R0.4 CCCCNCCC=C(F)F 2230a_100000102301_200009816681 [1,0,0,0,0,0|3,0,0]=4 355 B10R0.4 CCCCNCCC=C(F)F 7a_106832991798_200009816681 [1,0,0,0,0,0|3,0,0]=4 356 B10R0.4 CCCCNCCCC(=O)C 7a_106832991798_100011215641 [1,0,0,0,0,0|2,0,1]=4 357 B10R0.4 CCCCNCCCC(=O)N 34a_100000739312_100000210210 [1,0,0,0,0,0|2,0,1]=4 358 B10R0.4 CCCCNCCCC(=O)N 7a_106832991798_100102525003 [1,0,0,0,0,0|2,0,1]=4 359 B10R0.4 CCCCNCCNC(=O)C 2230a_100000102301_100000189650 [1,0,0,0,0,0|3,0,0]=4 360 B10R0.4 CCCCNCCNC(=O)C 2230a_100000209853_100000210211 [1,0,0,0,0,0|3,0,0]=4 361 B10R0.4 CCCCNCCNC(=O)C 7a_106832991798_100000189650 [1,0,0,0,0,0|3,0,0]=4 362 B10R0.4 CCCCNCCNC(=O)N 2230a_100000102301_200000034859 [1,0,0,0,0,0|3,0,0]=4 363 B10R0.4 CCCCNCCNC(=O)N 34a_100020590234_100000210210 [1,0,0,0,0,0|3,0,0]=4 364 B10R0.4 CCCCNCCNC(=O)N 7a_106832991798_200000034859 [1,0,0,0,0,0|3,0,0]=4 365 B10R0.4 CCCCNCCOC(=O)C 7a_106832991798_100009814007 [1,0,0,0,0,0|3,0,0]=4 366 B10R0.4 CCCCNCCOC(=O)N 7a_106832991798_200011214921 [1,0,0,0,0,0|3,0,0]=4 367 B10R0.4 CCCCOC/C=C/B(O)O 34a_100000210227_100016262062 [1,0,0,0,0,0|2,0,1]=4 368 B10R0.4 CCCCOC/C=C/B(O)O 7a_100000210227_100016262062 [1,0,0,0,0,0|2,0,1]=4 369 B10R0.4 CCCCOCCC=C(C)C 34a_100000210227_100011217483 [1,0,0,0,0,0|3,0,0]=4 370 B10R0.4 CCCCOCCC=C(C)C 7a_100000210227_100011217483 [1,0,0,0,0,0|3,0,0]=4 371 B10R0.4 CCCCOCCC=C(F)F 34a_100000210227_200009816681 [1,0,0,0,0,0|3,0,0]=4 372 B10R0.4 CCCCOCCC=C(F)F 7a_100000210227_200009816681 [1,0,0,0,0,0|3,0,0]=4 373 B10R0.4 CCCCOCCCC(=O)C 34a_100000210227_100000685027 [1,0,0,0,0,0|2,0,1]=4 374 B10R0.4 CCCCOCCCC(=O)C 34a_100000759063_100000210210 [1,0,0,0,0,0|2,0,1]=4 375 B10R0.4 CCCCOCCCC(=O)C 7a_100000210227_100011215641 [1,0,0,0,0,0|2,0,1]=4 376 B10R0.4 CCCCOCCCC(=O)C 7a_100000759063_100000210211 [1,0,0,0,0,0|2,0,1]=4 377 B10R0.4 CCCCOCCCC(=O)N 34a_100000210227_100102525003 [1,0,0,0,0,0|2,0,1]=4 378 B10R0.4 CCCCOCCCC(=O)N 7a_100000210227_100102525003 [1,0,0,0,0,0|2,0,1]=4 379 B10R0.4 CCCCOCCNC(=O)C 34a_100000158858_100000210210 [1,0,0,0,0,0|3,0,0]=4 380 B10R0.4 CCCCOCCNC(=O)C 7a_100000210227_100000189650 [1,0,0,0,0,0|3,0,0]=4 381 B10R0.4 CCCCOCCNC(=O)N 34a_100000181757_100000210210 [1,0,0,0,0,0|3,0,0]=4 382 B10R0.4 CCCCOCCNC(=O)N 7a_100000210227_200000034859 [1,0,0,0,0,0|3,0,0]=4 383 B10R0.4 CCCCOCCOC(=O)C 34a_100000210227_100009814007 [1,0,0,0,0,0|3,0,0]=4 384 B10R0.4 CCCCOCCOC(=O)C 7a_100000210227_100009814007 [1,0,0,0,0,0|3,0,0]=4 385 B10R0.4 CCCCOCCOC(=O)N 34a_100000210227_200011214921 [1,0,0,0,0,0|3,0,0]=4 386 B10R0.4 CCCCOCCOC(=O)N 7a_100000210227_200011214921 [1,0,0,0,0,0|3,0,0]=4 387 B10R0.4 CCCCOCCOC(=O)N 7a_100000766696_100000210211 [1,0,0,0,0,0|3,0,0]=4 388 B10R0.4 CCCCOCNCC(=O)O 269956a_100016091260_100011995733 [1,0,0,0,0,0|2,0,1]=4 389 B10R0.4 CCCCSC/C=C/B(O)O 62a_100000210211_100016262062 [1,0,0,0,0,0|2,0,1]=4 390 B10R0.4 CCCCSC/C=C/B(O)O 62a_100016262062_100000210210 [1,0,0,0,0,0|2,0,1]=4 391 B10R0.4 CCCCSCCC=C(C)C 62a_100000210211_100011217483 [1,0,0,0,0,0|3,0,0]=4 392 B10R0.4 CCCCSCCC=C(C)C 62a_100011217483_100000210210 [1,0,0,0,0,0|3,0,0]=4 393 B10R0.4 CCCCSCCC=C(F)F 62a_100000210211_200009816681 [1,0,0,0,0,0|3,0,0]=4 394 B10R0.4 CCCCSCCC=C(F)F 62a_200009816681_100000210210 [1,0,0,0,0,0|3,0,0]=4 395 B10R0.4 CCCCSCCCC(=O)C 62a_100000210211_100011215641 [1,0,0,0,0,0|2,0,1]=4 396 B10R0.4 CCCCSCCCC(=O)C 62a_100011215641_100000210210 [1,0,0,0,0,0|2,0,1]=4 397 B10R0.4 CCCCSCCCC(=O)N 62a_100000210211_100102525003 [1,0,0,0,0,0|2,0,1]=4 398 B10R0.4 CCCCSCCCC(=O)N 62a_100102525003_100000210210 [1,0,0,0,0,0|2,0,1]=4 399 B10R0.4 CCCCSCCNC(=O)C 11a_100025743550_100015343762 [1,0,0,0,0,0|3,0,0]=4 400 B10R0.4 CCCCSCCNC(=O)C 1626a_100025743550_100015343762 [1,0,0,0,0,0|3,0,0]=4 401 B10R0.4 CCCCSCCNC(=O)C 240690a_100025743550_100015343762 [1,0,0,0,0,0|3,0,0]=4 402 B10R0.4 CCCCSCCNC(=O)C 527a_100025743550_100103153847 [1,0,0,0,0,0|3,0,0]=4 403 B10R0.4 CCCCSCCNC(=O)C 62a_100000189650_100000210210 [1,0,0,0,0,0|3,0,0]=4 404 B10R0.4 CCCCSCCNC(=O)C 62a_100000210211_100000189650 [1,0,0,0,0,0|3,0,0]=4 405 B10R0.4 CCCCSCCNC(=O)N 62a_100000210211_200000034859 [1,0,0,0,0,0|3,0,0]=4 406 B10R0.4 CCCCSCCNC(=O)N 62a_200000034859_100000210210 [1,0,0,0,0,0|3,0,0]=4 407 B10R0.4 CCCCSCCOC(=O)C 62a_100000210211_100009814007 [1,0,0,0,0,0|3,0,0]=4 408 B10R0.4 CCCCSCCOC(=O)C 62a_100009814007_100000210210 [1,0,0,0,0,0|3,0,0]=4 409 B10R0.4 CCCCSCCOC(=O)N 62a_100000210211_200011214921 [1,0,0,0,0,0|3,0,0]=4 410 B10R0.4 CCCCSCCOC(=O)N 62a_200011214921_100000210210 [1,0,0,0,0,0|3,0,0]=4 411 B10R0.4 CCCNCCCCC(=O)N 34a_100000696515_100000210303 [1,0,0,0,0,0|2,0,1]=4 412 B10R0.4 CCCNCCCNC(=O)C 34a_100000736810_100000210303 [1,0,0,0,0,0|3,0,0]=4 413 B10R0.4 CCCNCCOCC(=O)O 269956a_100000700818_100000210207 [1,0,0,0,0,0|2,0,1]=4 414 B10R0.4 CCCOCCCCC(=O)C 34a_100000210258_100009817362 [1,0,0,0,0,0|2,0,1]=4 415 B10R0.4 CCCOCCCCC(=O)N 34a_100012022536_100000210303 [1,0,0,0,0,0|2,0,1]=4 416 B10R0.4 CCCOCCCCC(=O)N 7a_100012022536_100000210303 [1,0,0,0,0,0|2,0,1]=4 417 B10R0.4 CCCOCCCNC(=O)C 1626a_100011217757_100015343762 [1,0,0,0,0,0|3,0,0]=4 418 B10R0.4 CCCOCCCNC(=O)C 240690a_100011217757_100015343762 [1,0,0,0,0,0|3,0,0]=4 419 B10R0.4 CCCOCCCNC(=O)C 34a_100000752032_100000210303 [1,0,0,0,0,0|3,0,0]=4 420 B10R0.4 CCCOCCCNC(=O)C 527a_100011217757_100103153847 [1,0,0,0,0,0|3,0,0]=4 421 B10R0.4 CCCOCCCOC(=O)C 34a_100000210258_100000042594 [1,0,0,0,0,0|3,0,0]=4 422 B10R0.4 CCCOCCCSC(=O)C 34a_100000210258_100000038929 [1,0,0,0,0,0|3,0,0]=4 423 B10R0.4 CCCOCCNCC(=O)O 269956a_100016091260_100011215938 [1,0,0,0,0,0|2,0,1]=4 424 B10R0.4 CCCSCCCCC(=O)C 62a_100000210303_100000735457 [1,0,0,0,0,0|2,0,1]=4 425 B10R0.4 CCCSCCCCC(=O)C 62a_100000735457_100000210303 [1,0,0,0,0,0|2,0,1]=4 426 B10R0.4 CCCSCCCOC(=O)C 62a_100000042594_100000210303 [1,0,0,0,0,0|3,0,0]=4 427 B10R0.4 CCCSCCCOC(=O)C 62a_100000210303_100000042594 [1,0,0,0,0,0|3,0,0]=4 428 B10R0.4 CCCSCCCSC(=O)C 62a_100000038929_100000210303 [1,0,0,0,0,0|3,0,0]=4 429 B10R0.4 CCCSCCCSC(=O)C 62a_100000210303_100000038929 [1,0,0,0,0,0|3,0,0]=4 430 B10R0.4 CCNCCC/C=C/B(O)O 2230a_100015525214_200016261450 [1,0,0,0,0,0|2,0,1]=4 431 B10R0.4 CCNCCCCCC(=O)N 2230a_100015525214_100009817443 [1,0,0,0,0,0|2,0,1]=4 432 B10R0.4 CCNCCCCNC(=O)C 2230a_200011368371_100000210202 [1,0,0,0,0,0|3,0,0]=4 433 B10R0.4 CCNCCCCNC(=O)C 34a_200011368371_100000210202 [1,0,0,0,0,0|3,0,0]=4 434 B10R0.4 CCNCCCCSC(=O)C 2230a_100015525214_200010402107 [1,0,0,0,0,0|3,0,0]=4 435 B10R0.4 CCOCCC/C=C/B(O)O 34a_100121572206_200016261450 [1,0,0,0,0,0|2,0,1]=4 436 B10R0.4 CCOCCCCCC(=O)N 34a_100000123541_100000210202 [1,0,0,0,0,0|2,0,1]=4 437 B10R0.4 CCOCCCCCC(=O)N 34a_100121572206_100009817443 [1,0,0,0,0,0|2,0,1]=4 438 B10R0.4 CCOCCCCCC(=O)N 7a_100000123541_100000210202 [1,0,0,0,0,0|2,0,1]=4 439 B10R0.4 CCOCCCCCC(=O)[O-] 7a_100102619762_100000210202 [1,0,0,0,0,0|1,0,2]=4 440 B10R0.4 CCOCCCCOC(=O)C 34a_100000073216_100000210202 [1,0,0,0,0,0|3,0,0]=4 441 B10R0.4 CCOCCCCOC(=O)C 34a_100121572206_100000033659 [1,0,0,0,0,0|3,0,0]=4 442 B10R0.4 CCOCCCCOC(=O)C 7a_100000073216_100000210202 [1,0,0,0,0,0|3,0,0]=4 443 B10R0.4 CCOCCCCSC(=O)C 34a_100121572206_200010402107 [1,0,0,0,0,0|3,0,0]=4 444 B10R0.4 CCOCCCNCC(=O)O 269956a_100016091260_100012232248 [1,0,0,0,0,0|2,0,1]=4 445 B10R0.4 CCSCCC/C=C/B(O)O 62a_100000210202_200016261450 [1,0,0,0,0,0|2,0,1]=4 446 B10R0.4 CCSCCC/C=C/B(O)O 62a_200016261450_100000210202 [1,0,0,0,0,0|2,0,1]=4 447 B10R0.4 CCSCCCCCC(=O)N 62a_100000210202_100009817443 [1,0,0,0,0,0|2,0,1]=4 448 B10R0.4 CCSCCCCCC(=O)N 62a_100009817443_100000210202 [1,0,0,0,0,0|2,0,1]=4 449 B10R0.4 CCSCCCCOC(=O)C 62a_100000033659_100000210202 [1,0,0,0,0,0|3,0,0]=4 450 B10R0.4 CCSCCCCOC(=O)C 62a_100000210202_100000033659 [1,0,0,0,0,0|3,0,0]=4 451 B10R0.4 CCSCCCCSC(=O)C 62a_100000210202_200010402107 [1,0,0,0,0,0|3,0,0]=4 452 B10R0.4 CCSCCCCSC(=O)C 62a_200010402107_100000210202 [1,0,0,0,0,0|3,0,0]=4 453 B10R0.4 CNCCCCCNC(=O)C 2230a_200012022750_200000210301 [1,0,0,0,0,0|3,0,0]=4 454 B10R0.4 CNCCCCCNC(=O)C 34a_200012022750_200000210301 [1,0,0,0,0,0|3,0,0]=4 455 B10R0.4 CNCCCCCOC(=O)C 2230a_106832991635_100009813381 [1,0,0,0,0,0|3,0,0]=4 456 B10R0.4 CNCCCCCOC(=O)C 34a_100102657272_100000033007 [1,0,0,0,0,0|3,0,0]=4 457 B10R0.4 CNCCCCCOC(=O)C 7a_106832991635_100000033007 [1,0,0,0,0,0|3,0,0]=4 458 B10R0.4 COCCCCCCC(=O)C 1458a_100000070787_100011998445 [1,0,0,0,0,0|2,0,1]=4 459 B10R0.4 COCCCCCNC(=O)C 11a_100000747528_100015343762 [1,0,0,0,0,0|3,0,0]=4 460 B10R0.4 COCCCCCNC(=O)C 1626a_100000747528_100015343762 [1,0,0,0,0,0|3,0,0]=4 461 B10R0.4 COCCCCCNC(=O)C 240690a_100000747528_100015343762 [1,0,0,0,0,0|3,0,0]=4 462 B10R0.4 COCCCCCNC(=O)C 527a_100000747528_100103153847 [1,0,0,0,0,0|3,0,0]=4 463 B10R0.4 COCCCCCOC(=O)C 34a_100138415774_100000033007 [1,0,0,0,0,0|3,0,0]=4 464 B10R0.4 COCCCCNCC(=O)O 269956a_100016091260_100000730899 [1,0,0,0,0,0|2,0,1]=4 465 B10R0.4 CSCCCCCOC(=O)C 62a_100000033007_200000210301 [1,0,0,0,0,0|3,0,0]=4 466 B10R0.4 CSCCCCCOC(=O)C 62a_200000210301_100000033007 [1,0,0,0,0,0|3,0,0]=4 467 B10R0.4 O=C(O)CNCCCCCF 269956a_100016091260_100000729378 [1,0,0,0,0,0|2,0,1]=4 468 B10R0.4 O=C(O)CNCCCCCO 269956a_100016091260_100000746330 [1,0,0,0,0,0|2,0,1]=4 469 B10R0.4 [13CH3]C(=O)CCCCCCCO 1458a_100011219782_200025704644 [1,0,0,0,0,0|2,0,1]=4 470 B10R0.71 C/C=C/C=C/COCCCC 34a_100016283227_100000210210 [1,0,0,0,0,0|2,0,1]=4 471 B10R0.71 C/C=C/CCOCCCCC 34a_100016278192_100000718602 [1,0,0,0,0,0|2,0,1]=4 472 B10R0.71 C/C=C/COCCCCCC 34a_100000210259_100102629194 [1,0,0,0,0,0|2,0,1]=4 473 B10R0.71 C/C=C/COCCCCCC 34a_100016270725_100000210314 [1,0,0,0,0,0|2,0,1]=4 474 B10R0.71 C/C=C/COCCCCCC 7a_100000210259_100102629194 [1,0,0,0,0,0|2,0,1]=4 475 B10R0.71 C/C=C/CSCCCCCC 62a_100000210314_100102629194 [1,0,0,0,0,0|2,0,1]=4 476 B10R0.71 C/C=C/CSCCCCCC 62a_100102629194_100000210757 [1,0,0,0,0,0|2,0,1]=4 477 B10R0.71 C=CCNCCCCCCC 2230a_100000229938_100000210623 [1,0,0,0,0,0|2,0,1]=4 478 B10R0.71 C=CCNCCCCCCC 2230a_100020586998_100000210681 [1,0,0,0,0,0|2,0,1]=4 479 B10R0.71 C=CCOCCCCCCC 34a_100000210272_100015514636 [1,0,0,0,0,0|2,0,1]=4 480 B10R0.71 C=CCOCCCCCCC 34a_200000210373_100000210614 [1,0,0,0,0,0|2,0,1]=4 481 B10R0.71 C=CCOCCCCCCC 7a_100000210272_100015514636 [1,0,0,0,0,0|2,0,1]=4 482 B10R0.71 C=CCSCCCCCCC 62a_100000210614_100000210623 [1,0,0,0,0,0|2,0,1]=4 483 B10R0.71 C=CCSCCCCCCC 62a_100000210623_100000210316 [1,0,0,0,0,0|2,0,1]=4 484 B10R0.71 CC/C=C/CCCOCCC 34a_100016287902_100000210303 [1,0,0,0,0,0|2,0,1]=4 485 B10R0.71 CC/C=C/CCCOCCC 7a_100016287902_100000210303 [1,0,0,0,0,0|2,0,1]=4 486 B10R0.71 CC/C=C\CCCCCNC 269862a_106832991636_100016288537 [1,0,0,0,0,0|2,0,1]=4 487 B10R0.71 CC/C=C\CCCCCOC 34a_100016268722_200000210301 [1,0,0,0,0,0|2,0,1]=4 488 B10R0.71 CC/C=C\CCCCCOC 7a_100016268722_200000210301 [1,0,0,0,0,0|2,0,1]=4 489 B10R0.71 CC/C=C\CCCCCO[13CH3] 34a_100016268722_200025704644 [1,0,0,0,0,0|2,0,1]=4 490 B10R0.71 CC/C=C\CCCCCO[13CH3] 7a_100016268722_200025704644 [1,0,0,0,0,0|2,0,1]=4 491 B10R0.71 CC/C=C\CCCCOCC 34a_100016287862_100000210202 [1,0,0,0,0,0|2,0,1]=4 492 B10R0.71 CC/C=C\CCCCOCC 7a_100016287862_100000210202 [1,0,0,0,0,0|2,0,1]=4 493 B10R0.71 CC/C=C\CCNCCCC 2230a_100000102301_100015370543 [1,0,0,0,0,0|2,0,1]=4 494 B10R0.71 CC/C=C\CCNCCCC 7a_106832991798_100015370543 [1,0,0,0,0,0|2,0,1]=4 495 B10R0.71 CC/C=C\CCOCCCC 34a_100000210227_100015370543 [1,0,0,0,0,0|2,0,1]=4 496 B10R0.71 CC/C=C\CCOCCCC 34a_100016288707_100000210210 [1,0,0,0,0,0|2,0,1]=4 497 B10R0.71 CC/C=C\CCOCCCC 7a_100000210227_100015370543 [1,0,0,0,0,0|2,0,1]=4 498 B10R0.71 CC/C=C\CCOCCCC 7a_100016288707_100000210211 [1,0,0,0,0,0|2,0,1]=4 499 B10R0.71 CC/C=C\CCSCCCC 62a_100000210211_100015370543 [1,0,0,0,0,0|2,0,1]=4 500 B10R0.71 CC/C=C\CCSCCCC 62a_100015370543_100000210210 [1,0,0,0,0,0|2,0,1]=4 501 B10R0.71 CC/C=C\CNCCCCC 2230a_100000209983_100103147603 [1,0,0,0,0,0|2,0,1]=4 502 B10R0.71 CC/C=C\COCCCCC 34a_100000210253_100103147603 [1,0,0,0,0,0|2,0,1]=4 503 B10R0.71 CC/C=C\COCCCCC 34a_100016268518_100000718602 [1,0,0,0,0,0|2,0,1]=4 504 B10R0.71 CC/C=C\COCCCCC 7a_100000210253_100103147603 [1,0,0,0,0,0|2,0,1]=4 505 B10R0.71 CC/C=C\CSCCCCC 62a_100000210326_100103147603 [1,0,0,0,0,0|2,0,1]=4 506 B10R0.71 CC/C=C\CSCCCCC 62a_100103147603_100000210326 [1,0,0,0,0,0|2,0,1]=4 507 B10R0.71 CC=C=CCCOCCCC 34a_100011020354_100000210210 [1,0,0,0,0,0|2,0,1]=4 508 B10R0.71 CC=CCCCOCCCC 34a_100020645299_100000210210 [1,0,0,0,0,0|2,0,1]=4 509 B10R0.71 CC=CCNCCCCCC 2230a_100000210581_100000070051 [1,0,0,0,0,0|2,0,1]=4 510 B10R0.71 CC=CCOCCCCCC 34a_100000210259_100000070051 [1,0,0,0,0,0|2,0,1]=4 511 B10R0.71 CC=CCOCCCCCC 7a_100000210259_100000070051 [1,0,0,0,0,0|2,0,1]=4 512 B10R0.71 CC=CCSCCCCCC 62a_100000070051_100000210757 [1,0,0,0,0,0|2,0,1]=4 513 B10R0.71 CC=CCSCCCCCC 62a_100000210314_100000070051 [1,0,0,0,0,0|2,0,1]=4 514 B10R0.71 CCCCCCCNCC=O 2230a_100000229938_200015260668 [1,0,0,0,0,0|1,0,1]=3 515 B10R0.71 CCCCCCCNCCO 2230a_100000229938_100000211926 [1,0,0,0,0,0|1,0,2]=4 516 B10R0.71 CCCCCCCNCCO 2230a_100016997473_100000210681 [1,0,0,0,0,0|1,0,2]=4 517 B10R0.71 CCCCCCCNCCO 34a_100016990907_100000210614 [1,0,0,0,0,0|1,0,2]=4 518 B10R0.71 CCCCCCCOCC=O 34a_100000210272_200009817547 [1,0,0,0,0,0|1,0,1]=3 519 B10R0.71 CCCCCCCOCC=O 7a_100000210272_200015260668 [1,0,0,0,0,0|1,0,1]=3 520 B10R0.71 CCCCCCCOCCO 34a_100000210272_100000211926 [1,0,0,0,0,0|1,0,2]=4 521 B10R0.71 CCCCCCCOCCO 7a_100000210272_100000211926 [1,0,0,0,0,0|1,0,2]=4 522 B10R0.71 CCCCCCCSCC=O 62a_100000210614_200015260668 [1,0,0,0,0,0|1,0,1]=3 523 B10R0.71 CCCCCCCSCC=O 62a_200015260668_100000210316 [1,0,0,0,0,0|1,0,1]=3 524 B10R0.71 CCCCCCCSCCO 62a_100000210614_100000211926 [1,0,0,0,0,0|1,0,2]=4 525 B10R0.71 CCCCCCCSCCO 62a_100000211926_100000210316 [1,0,0,0,0,0|1,0,2]=4 526 B10R0.71 CCCCCNCCCC=O 2230a_100000209983_200011292268 [1,0,0,0,0,0|1,0,2]=4 527 B10R0.71 CCCCCOCCCC=O 7a_100000210253_200011292268 [1,0,0,0,0,0|1,0,2]=4 528 B10R0.71 CCCCCSCCCC=O 62a_100000210326_200011292268 [1,0,0,0,0,0|1,0,2]=4 529 B10R0.71 CCCCCSCCCC=O 62a_200011292268_100000210326 [1,0,0,0,0,0|1,0,2]=4 530 B10R0.71 CCCCNCCCCC=O 2230a_100000102301_100000139335 [1,0,0,0,0,0|1,0,2]=4 531 B10R0.71 CCCCNCCCCC=O 7a_106832991798_100000139335 [1,0,0,0,0,0|1,0,2]=4 532 B10R0.71 CCCCOCCCCC=O 7a_100000210227_100000139335 [1,0,0,0,0,0|1,0,2]=4 533 B10R0.71 CCCCOCCOCC=O 34a_100000210238_200009817547 [1,0,0,0,0,0|2,0,1]=4 534 B10R0.71 CCCCOCCOCC=O 7a_100000210238_200015260668 [1,0,0,0,0,0|2,0,1]=4 535 B10R0.71 CCCCOCCSCC=O 62a_100000743108_200015260668 [1,0,0,0,0,0|2,0,1]=4 536 B10R0.71 CCCCOCCSCC=O 62a_200015260668_100000743108 [1,0,0,0,0,0|2,0,1]=4 537 B10R0.71 CCCCSCCCCC=O 62a_100000139335_100000210210 [1,0,0,0,0,0|1,0,2]=4 538 B10R0.71 CCCCSCCCCC=O 62a_100000210211_100000139335 [1,0,0,0,0,0|1,0,2]=4 539 B10R0.71 CCCCSCCNCC=O 2230a_100025743550_200015260668 [1,0,0,0,0,0|2,0,1]=4 540 B10R0.71 CCCCSCCOCC=O 34a_200000230436_200009817547 [1,0,0,0,0,0|2,0,1]=4 541 B10R0.71 CCCCSCCOCC=O 7a_200000230436_200015260668 [1,0,0,0,0,0|2,0,1]=4 542 B10R0.71 CCCOCCCNCC=O 2230a_100011217757_200015260668 [1,0,0,0,0,0|2,0,1]=4 543 B10R0.71 CCCOCCCNCC=O 34a_100011217757_200009817547 [1,0,0,0,0,0|2,0,1]=4 544 B10R0.71 CCCSCCCCCC=O 62a_100000139337_100000210303 [1,0,0,0,0,0|1,0,2]=4 545 B10R0.71 CCCSCCCCCC=O 62a_100000210303_100000139337 [1,0,0,0,0,0|1,0,2]=4 546 B10R0.71 CNCCCCCOCC=O 34a_100000722520_200009817547 [1,0,0,0,0,0|2,0,1]=4 547 B10R0.71 COCCCCCNCC=O 2230a_100000747528_200015260668 [1,0,0,0,0,0|2,0,1]=4 548 B10R0.71 COCCCCCNCC=O 34a_100000747528_200009817547 [1,0,0,0,0,0|2,0,1]=4 549 B10R0.71 NCCCCCCOCC=O 34a_100000686447_200009817547 [1,0,0,0,0,0|2,0,1]=4 550 B10R0.71 O=CCNCCCCCCO 2230a_100000686447_200015260668 [1,0,0,0,0,0|2,0,1]=4 551 B10R0.71 O=CCNCCCCCCO 34a_100000686447_200009817547 [1,0,0,0,0,0|2,0,1]=4 552 B10R0.71 O=CCOCCCCCCBr 34a_100011215345_200009817547 [1,0,0,0,0,0|2,0,1]=4 553 B10R0.71 O=CCOCCCCCCBr 7a_100011215345_200015260668 [1,0,0,0,0,0|2,0,1]=4 554 B10R0.71 O=CCOCCCCCCCl 34a_100000766143_200009817547 [1,0,0,0,0,0|2,0,1]=4 555 B10R0.71 O=CCOCCCCCCCl 7a_100000766143_200015260668 [1,0,0,0,0,0|2,0,1]=4 556 B10R0.71 O=CCOCCCCCCF 34a_100000732779_200009817547 [1,0,0,0,0,0|2,0,1]=4 557 B10R0.71 O=CCOCCCCCCF 7a_100000732779_200015260668 [1,0,0,0,0,0|2,0,1]=4 558 B10R0.71 O=CCSCCCCCCF 62a_100015922095_200015260668 [1,0,0,0,0,0|2,0,1]=4 559 B10R0.71 O=CCSCCCCCCF 62a_200015260668_100015922095 [1,0,0,0,0,0|2,0,1]=4 560 B10R0.71 O=CCSCCCCCCO 62a_100000766143_200015260668 [1,0,0,0,0,0|2,0,1]=4 561 B10R0.71 O=CCSCCCCCCO 62a_200015260668_100000766143 [1,0,0,0,0,0|2,0,1]=4 562 B12R0.4 C=C(C)CC(=O)CCCCCCC 1458a_100000211969_100000748629 [0,1,0,0,0,0|2,0,1]=4 563 B12R0.4 C=C(F)CC(=O)CCCCCCC 1458a_100000211969_100009893438 [0,1,0,0,0,0|2,0,1]=4 564 B12R0.4 CC(=CC(=O)CCCCCCF)C 1458a_100000211388_100015922095 [0,1,0,0,0,0|3,0,0]=4 565 B12R0.4 CC(=CC(=O)CCCCCCF)Cl 1458a_200042562850_100015922095 [0,1,0,0,0,0|3,0,0]=4 566 B12R0.4 CC(=CC(=O)CCCCCCF)I 1458a_100025716642_100015922095 [0,1,0,0,0,0|3,0,0]=4 567 B12R0.4 CC(=CC(=O)CCCCCCO)C 1458a_100000211388_100000766143 [0,1,0,0,0,0|3,0,0]=4 568 B12R0.4 CC(=CC(=O)CCCCCCO)Cl 1458a_200042562850_100000766143 [0,1,0,0,0,0|3,0,0]=4 569 B12R0.4 CC(=CC(=O)CCCCCCO)I 1458a_100025716642_100000766143 [0,1,0,0,0,0|3,0,0]=4 570 B12R0.4 CCCCCCCC(=O)C=C(C)C 1458a_100000211388_100000210614 [0,1,0,0,0,0|2,0,0]=3 571 B12R0.4 CCCCCCCC(=O)C=C(C)Cl 1458a_200042562850_100000210614 [0,1,0,0,0,0|2,0,0]=3 572 B12R0.4 CCCCCCCC(=O)C=C(C)I 1458a_100025716642_100000210614 [0,1,0,0,0,0|2,0,0]=3 573 B12R0.4 CCCCCCCC(=O)C=C(Cl)Cl 1458a_100000137448_100000210614 [0,1,0,0,0,0|2,0,0]=3 574 B12R0.4 CCCCCCCC(=O)CC(=O)N 1458a_100000211969_100000187820 [0,1,0,0,0,0|1,0,1]=3 575 B12R0.4 CCCCCCCC(=O)CC(=O)N 1458a_100134613110_100000210614 [0,1,0,0,0,0|1,0,1]=3 576 B12R0.4 CCCCCCCC(=O)CC(=O)[O-] 1458a_100000211969_100020667443 [0,1,0,0,0,0|0,0,2]=3 577 B12R0.4 CCCCCCCC(=O)CC(C)O 1458a_100000211969_100011218427 [0,1,0,0,0,0|1,0,2]=4 578 B12R0.4 CCCCCCCC(=O)C[C@@H](C)O 1458a_100011933948_100000210614 [0,1,0,0,0,0|1,0,2]=4 579 B12R0.4 CCCCCCCC(=O)C[N+](=O)[O-] 1458a_100000211969_100000761209 [0,1,0,0,0,0|1,0,2]=4 580 B12R0.4 CCCCCCCC(O)CC(=O)C 1458a_200011667753_200000210301 [0,1,0,0,0,0|1,0,2]=4 581 B12R0.4 CCCCCCCC(O)CC(=O)[13CH3] 1458a_200011667753_200025704644 [0,1,0,0,0,0|1,0,2]=4 582 B12R0.4 CCCCCCCN(C)CC(=O)N 2230a_100000228206_100000747473 [0,1,0,0,0,0|2,0,1]=4 583 B12R0.4 CCCCCCCN(C)CC(=O)N 2230a_100000739694_100000210681 [0,1,0,0,0,0|2,0,1]=4 584 B12R0.4 CCCCCCCN(C)CC(=O)N 269982a_100000228206_100000187820 [0,1,0,0,0,0|2,0,1]=4 585 B12R0.4 CCCCCCCN(C)CC(=O)O 269956a_100000746989_100000210614 [0,1,0,0,0,0|1,0,1]=3 586 B12R0.4 CCCCCCCN(C)CC(=O)[O-] 269982a_100000228206_100020667443 [0,1,0,0,0,0|1,0,2]=4 587 B12R0.4 CCCCCCNC(=O)C=C(C)C 11a_100000210581_100000211388 [0,1,0,0,0,0|3,0,0]=4 588 B12R0.4 CCCCCCNC(=O)C=C(C)C 1626a_100000210581_100000211388 [0,1,0,0,0,0|3,0,0]=4 589 B12R0.4 CCCCCCNC(=O)C=C(C)C 240690a_100000210581_100000211388 [0,1,0,0,0,0|3,0,0]=4 590 B12R0.4 CCCCCCNC(=O)C=C(C)Cl 11a_100000210581_200042562850 [0,1,0,0,0,0|3,0,0]=4 591 B12R0.4 CCCCCCNC(=O)C=C(C)Cl 1626a_100000210581_200042562850 [0,1,0,0,0,0|3,0,0]=4 592 B12R0.4 CCCCCCNC(=O)C=C(C)Cl 240690a_100000210581_200042562850 [0,1,0,0,0,0|3,0,0]=4 593 B12R0.4 CCCCCCNC(=O)C=C(C)I 11a_100000210581_100025716642 [0,1,0,0,0,0|3,0,0]=4 594 B12R0.4 CCCCCCNC(=O)C=C(C)I 1626a_100000210581_100025716642 [0,1,0,0,0,0|3,0,0]=4 595 B12R0.4 CCCCCCNC(=O)C=C(Cl)Cl 1626a_100000210581_100000137448 [0,1,0,0,0,0|3,0,0]=4 596 B12R0.4 CCCCCCNC(=O)C=C(Cl)Cl 240690a_100000210581_100000137448 [0,1,0,0,0,0|3,0,0]=4 597 B12R0.4 CCCCCCNC(=O)CC(=O)C 1458a_100000070787_100000230325 [0,1,0,0,0,0|2,0,1]=4 598 B12R0.4 CCCCCCNC(=O)CC(=O)N 240690a_100000210581_100134613110 [0,1,0,0,0,0|2,0,1]=4 599 B12R0.4 CCCCCCNC(=O)CC(=O)N 527a_100000210581_100134613110 [0,1,0,0,0,0|2,0,1]=4 600 B12R0.4 CCCCCNCC(=O)NC(=O)N 2230a_100000209983_100000182717 [0,1,0,0,0,0|3,0,0]=4 601 B12R0.4 CCCCCNCC(O)CC(=O)O 269956a_100011218706_100000210326 [0,1,0,0,0,0|1,0,2]=4 602 B12R0.4 CCCCCOCC(=O)NC(=O)C 7a_100000210253_100000183797 [0,1,0,0,0,0|3,0,0]=4 603 B12R0.4 CCCCCOCC(=O)NC(=O)N 7a_100000210253_100000182717 [0,1,0,0,0,0|3,0,0]=4 604 B12R0.4 CCCCCSCC(=O)NC(=O)C 62a_100000210326_100000183797 [0,1,0,0,0,0|3,0,0]=4 605 B12R0.4 CCCCCSCC(=O)NC(=O)N 62a_100000210326_100000182717 [0,1,0,0,0,0|3,0,0]=4 606 B12R0.4 CCCCNCCC(=O)NC(=O)N 2230a_100000102301_100000237605 [0,1,0,0,0,0|3,0,0]=4 607 B12R0.4 CCCCNCCC(=O)NC(=O)N 7a_106832991798_100000237605 [0,1,0,0,0,0|3,0,0]=4 608 B12R0.4 CCCCOCCC(=O)C=C(C)C 1458a_100000211388_100000743108 [0,1,0,0,0,0|3,0,0]=4 609 B12R0.4 CCCCOCCC(=O)C=C(C)Cl 1458a_200042562850_100000743108 [0,1,0,0,0,0|3,0,0]=4 610 B12R0.4 CCCCOCCC(=O)C=C(C)I 1458a_100025716642_100000743108 [0,1,0,0,0,0|3,0,0]=4 611 B12R0.4 CCCCOCCC(=O)C=C(Cl)Cl 1458a_100000137448_100000743108 [0,1,0,0,0,0|3,0,0]=4 612 B12R0.4 CCCCOCCC(=O)CC(=O)N 1458a_100134613110_100000743108 [0,1,0,0,0,0|2,0,1]=4 613 B12R0.4 CCCCOCCC(=O)NC(=O)N 7a_100000210227_100000237605 [0,1,0,0,0,0|3,0,0]=4 614 B12R0.4 CCCCOCCN(C)CC(=O)O 269956a_100000746989_100000743108 [0,1,0,0,0,0|2,0,1]=4 615 B12R0.4 CCCCSCCC(=O)NC(=O)N 62a_100000210211_100000237605 [0,1,0,0,0,0|3,0,0]=4 616 B12R0.4 CN(CCCCCCF)CC(=O)O 269956a_100000746989_100015922095 [0,1,0,0,0,0|2,0,1]=4 617 B12R0.4 CN(CCCCCCO)CC(=O)O 269956a_100000746989_100000766143 [0,1,0,0,0,0|2,0,1]=4 618 B12R0.4 COCCCCCC(=O)CC(=O)N 1458a_100011935119_100000187820 [0,1,0,0,0,0|2,0,1]=4 619 B12R0.4 COCCCCCC(=O)CC(=O)[O-] 1458a_100011935119_100020667443 [0,1,0,0,0,0|1,0,2]=4 620 B12R0.4 NC(=O)CC(=O)CCCCCCF 1458a_100134613110_100015922095 [0,1,0,0,0,0|2,0,1]=4 621 B12R0.4 NC(=O)CC(=O)CCCCCCO 1458a_100011996774_100000187820 [0,1,0,0,0,0|2,0,1]=4 622 B12R0.4 NC(=O)CC(=O)CCCCCCO 1458a_100134613110_100000766143 [0,1,0,0,0,0|2,0,1]=4 623 B12R0.4 O=C(C=C(Cl)Cl)CCCCCCF 1458a_100000137448_100015922095 [0,1,0,0,0,0|3,0,0]=4 624 B12R0.4 O=C(C=C(Cl)Cl)CCCCCCO 1458a_100000137448_100000766143 [0,1,0,0,0,0|3,0,0]=4 625 B12R0.4 O=C([O-])CC(=O)CCCCCCO 1458a_100011996774_100020667443 [0,1,0,0,0,0|1,0,2]=4 626 B12R0.95 CCCCC(C)NC/C=C/B(O)O 2230a_100000126638_100016262062 [0,1,0,0,0,0|2,0,1]=4 627 B12R0.95 CCCCC(C)OC/C=C/B(O)O 34a_100000687866_100016262062 [0,1,0,0,0,0|2,0,1]=4 628 B12R0.95 CCCCC(C)OC/C=C/B(O)O 7a_100000687866_100016262062 [0,1,0,0,0,0|2,0,1]=4 629 B12R0.95 CCCCC(C)SC/C=C/B(O)O 62a_100016262062_200011215066 [0,1,0,0,0,0|2,0,1]=4 630 B12R0.95 CCCCC(C)SC/C=C/B(O)O 62a_200011215066_100016262062 [0,1,0,0,0,0|2,0,1]=4 631 B12R0.184 CCC(C)CCNC/C=C/B(O)O 2230a_100020591266_100016262062 [0,1,0,0,0,0|2,0,1]=4 632 B12R0.184 CCC(C)CCOC/C=C/B(O)O 7a_100011215188_100016262062 [0,1,0,0,0,0|2,0,1]=4 633 B12R0.184 CCC(C)CNCCOCC(=O)O 269956a_100000700818_100000748023 [0,1,0,0,0,0|2,0,1]=4 634 B12R0.184 CCC(C)NCCC/C=C/B(O)O 2230a_100000209981_200016261450 [0,1,0,0,0,0|2,0,1]=4 635 B12R0.184 CCC(C)OCCC/C=C/B(O)O 7a_100000210228_200016261450 [0,1,0,0,0,0|2,0,1]=4 636 B12R0.184 CCC(C)SCCC/C=C/B(O)O 62a_100000758301_200016261450 [0,1,0,0,0,0|2,0,1]=4 637 B12R0.184 CCC(C)SCCC/C=C/B(O)O 62a_200016261450_100000758301 [0,1,0,0,0,0|2,0,1]=4 638 B12R0.184 CCC(O)CNCCOCC(=O)O 269956a_100000700818_100011218378 [0,1,0,0,0,0|2,0,1]=4 639 B12R0.184 CC[C@H](C)CNCCOCC(=O)O 269956a_100000700818_100009816398 [0,1,0,0,0,0|2,0,1]=4 640 B12R0.233 CCCCCC(=O)C/C=C/B(O)O 1458a_100000212188_100016262062 [0,1,0,0,0,0|1,0,2]=4 641 B12R0.233 CCCCCC(=O)CNCC(=O)O 269956a_100016091260_200012276598 [0,1,0,0,0,0|1,0,2]=4 642 B12R0.233 CCCCCC(C)NOCC(=O)O 269956a_100000106656_200011218191 [0,1,0,0,0,0|2,0,1]=4 643 B12R0.233 CCCCCN(C)C/C=C/B(O)O 2230a_100000223495_100016262062 [0,1,0,0,0,0|2,0,1]=4 644 B12R0.233 CCCCCN(C)C/C=C/B(O)O 269982a_100000223495_100016262062 [0,1,0,0,0,0|2,0,1]=4 645 B12R0.233 CCCCCN(C)CCCC(=O)O 269956a_100000719178_100000210326 [0,1,0,0,0,0|1,0,2]=4 646 B12R0.234 C#CCCCCCCNCC(=O)O 269956a_100016091260_100012276617 [0,1,0,0,0,0|1,0,2]=4 647 B12R0.234 C=CCCCCCCNCC(=O)O 269956a_100016091260_100011215473 [0,1,0,0,0,0|1,0,2]=4 648 B12R0.234 CC(=O)CCCCCCCCCF 1458a_200009909015_200000210301 [0,1,0,0,0,0|1,0,2]=4 649 B12R0.234 CC(=O)CCCCCCCCCO 1458a_100000070787_100009813782 [0,1,0,0,0,0|1,0,2]=4 650 B12R0.234 CC(=O)COCCCCCCCO 34a_100000211253_100000760002 [0,1,0,0,0,0|2,0,1]=4 651 B12R0.234 CC(=O)NCCCCCCCCO 240690a_102515433106_100015343762 [0,1,0,0,0,0|2,0,1]=4 652 B12R0.234 CCCCCC#CCNCC(=O)O 269956a_100016091260_100009816472 [0,1,0,0,0,0|1,0,2]=4 653 B12R0.234 CCCCCCCC=NNC(=O)C 4a_100000189765_100000210592 [0,1,0,0,0,0|2,0,0]=3 654 B12R0.234 CCCCCCCCC=CC(=O)C 1458a_100015345288_200000210301 [0,1,0,0,0,0|1,0,0]=2 655 B12R0.234 CCCCCCCCC=CC(=O)[13CH3] 1458a_100015345288_200025704644 [0,1,0,0,0,0|1,0,0]=2 656 B12R0.234 CCCCCCCCCCC(=O)C 1458a_100000070787_100000210319 [0,1,0,0,0,0|1,0,2]=4 657 B12R0.234 CCCCCCCCCCC(=O)C 1458a_100000210375_200000210301 [0,1,0,0,0,0|1,0,2]=4 658 B12R0.234 CCCCCCCCCCC(=O)[13CH3] 1458a_100000210375_200025704644 [0,1,0,0,0,0|1,0,2]=4 659 B12R0.234 CCCCCCCCCNC(=O)C 11a_100000212291_100015343762 [0,1,0,0,0,0|1,0,2]=4 660 B12R0.234 CCCCCCCCCNC(=O)C 1626a_100000212291_100015343762 [0,1,0,0,0,0|1,0,2]=4 661 B12R0.234 CCCCCCCCCNC(=O)C 240690a_100000212291_100015343762 [0,1,0,0,0,0|1,0,2]=4 662 B12R0.234 CCCCCCCCCNC(=O)C 527a_100000212291_100103153847 [0,1,0,0,0,0|1,0,2]=4 663 B12R0.234 CCCCCCCCNCC(=O)N 2230a_100000229939_100000747473 [0,1,0,0,0,0|1,0,2]=4 664 B12R0.234 CCCCCCCCNCC(=O)N 2230a_100000711301_100000210759 [0,1,0,0,0,0|1,0,2]=4 665 B12R0.234 CCCCCCCCNCC(=O)N 34a_100000229939_100000187820 [0,1,0,0,0,0|1,0,2]=4 666 B12R0.234 CCCCCCCCNCC(=O)O 269956a_100016091260_100000210759 [0,1,0,0,0,0|0,0,2]=3 667 B12R0.234 CCCCCCCCNCC(=O)[O-] 34a_100000229939_100020667443 [0,1,0,0,0,0|0,0,3]=4 668 B12R0.234 CCCCCCCCOCC(=O)C 1458a_100000759886_200000210301 [0,1,0,0,0,0|1,0,2]=4 669 B12R0.234 CCCCCCCCOCC(=O)C 34a_100000211253_100000210759 [0,1,0,0,0,0|1,0,2]=4 670 B12R0.234 CCCCCCCCOCC(=O)N 34a_100000210232_100000187820 [0,1,0,0,0,0|1,0,2]=4 671 B12R0.234 CCCCCCCCOCC(=O)N 7a_100000210232_100000187820 [0,1,0,0,0,0|1,0,2]=4 672 B12R0.234 CCCCCCCCOCC(=O)[13CH3] 1458a_100000759886_200025704644 [0,1,0,0,0,0|1,0,2]=4 673 B12R0.234 CCCCCCCCOCC(=O)[O-] 34a_100000210232_100020667443 [0,1,0,0,0,0|0,0,3]=4 674 B12R0.234 CCCCCCCCSCC(=O)N 62a_100000210759_100000747473 [0,1,0,0,0,0|1,0,2]=4 675 B12R0.234 CCCCCCCCSCC(=O)N 62a_100000747473_100000210317 [0,1,0,0,0,0|1,0,2]=4 676 B12R0.234 CCCCCCCCSCC(=O)[O-] 62a_100000210759_100020667443 [0,1,0,0,0,0|0,0,3]=4 677 B12R0.234 CCCCCCCCSCC(=O)[O-] 62a_100020667443_100000210317 [0,1,0,0,0,0|0,0,3]=4 678 B12R0.234 CCCCCCCNCC=C(C)C 2230a_100000229938_100000761012 [0,1,0,0,0,0|2,0,1]=4 679 B12R0.234 CCCCCCCNCC=C(C)C 34a_100000718196_100000210614 [0,1,0,0,0,0|2,0,1]=4 680 B12R0.234 CCCCCCCNCCC(=O)N 2230a_100000229938_100000744528 [0,1,0,0,0,0|1,0,2]=4 681 B12R0.234 CCCCCCCNOCC(=O)O 269956a_100000106656_100000210614 [0,1,0,0,0,0|1,0,1]=3 682 B12R0.234 CCCCCCCOCC=C(C)C 34a_100000210272_100000761012 [0,1,0,0,0,0|2,0,1]=4 683 B12R0.234 CCCCCCCOCC=C(C)C 34a_100000753907_100000210614 [0,1,0,0,0,0|2,0,1]=4 684 B12R0.234 CCCCCCCOCC=C(C)C 7a_100000210272_100000761012 [0,1,0,0,0,0|2,0,1]=4 685 B12R0.234 CCCCCCCOCCC(=O)C 34a_100000759926_100000210614 [0,1,0,0,0,0|1,0,2]=4 686 B12R0.234 CCCCCCCOCCC(=O)C 7a_100000210272_100000053229 [0,1,0,0,0,0|1,0,2]=4 687 B12R0.234 CCCCCCCOCCC(=O)C 7a_100000759926_100000210614 [0,1,0,0,0,0|1,0,2]=4 688 B12R0.234 CCCCCCCOCCC(=O)N 34a_100000210272_100000731001 [0,1,0,0,0,0|1,0,2]=4 689 B12R0.234 CCCCCCCOCCC(=O)N 34a_100000757172_100000210614 [0,1,0,0,0,0|1,0,2]=4 690 B12R0.234 CCCCCCCOCCC(=O)N 7a_100000210272_100000744528 [0,1,0,0,0,0|1,0,2]=4 691 B12R0.234 CCCCCCCOCCC(=O)N 7a_100000757172_100000210614 [0,1,0,0,0,0|1,0,2]=4 692 B12R0.234 CCCCCCCOCOC(=O)C 34a_100000210272_100009813279 [0,1,0,0,0,0|2,0,1]=4 693 B12R0.234 CCCCCCCSCC=C(C)C 62a_100000210614_100000761012 [0,1,0,0,0,0|2,0,1]=4 694 B12R0.234 CCCCCCCSCC=C(C)C 62a_100000761012_100000210316 [0,1,0,0,0,0|2,0,1]=4 695 B12R0.234 CCCCCCCSCCC(=O)C 62a_100000053229_100000210316 [0,1,0,0,0,0|1,0,2]=4 696 B12R0.234 CCCCCCCSCCC(=O)C 62a_100000210614_100000053229 [0,1,0,0,0,0|1,0,2]=4 697 B12R0.234 CCCCCCCSCCC(=O)N 62a_100000210614_100000744528 [0,1,0,0,0,0|1,0,2]=4 698 B12R0.234 CCCCCCCSCCC(=O)N 62a_100000744528_100000210316 [0,1,0,0,0,0|1,0,2]=4 699 B12R0.234 CCCCCCCSCOC(=O)C 62a_100000076356_100000210316 [0,1,0,0,0,0|2,0,1]=4 700 B12R0.234 CCCCCCCSCOC(=O)C 62a_100000210614_100000076356 [0,1,0,0,0,0|2,0,1]=4 701 B12R0.234 CCCCCCNC/C=C/B(O)O 2230a_100000210581_100016262062 [0,1,0,0,0,0|1,0,1]=3 702 B12R0.234 CCCCCCNCCC=C(C)C 2230a_100000210581_100011217483 [0,1,0,0,0,0|2,0,1]=4 703 B12R0.234 CCCCCCNCCC=C(F)F 2230a_100000210581_200009816681 [0,1,0,0,0,0|2,0,1]=4 704 B12R0.234 CCCCCCNCCCC(=O)N 34a_100000739312_100000210314 [0,1,0,0,0,0|1,0,2]=4 705 B12R0.234 CCCCCCNCCNC(=O)C 2230a_100000209853_100000210314 [0,1,0,0,0,0|2,0,1]=4 706 B12R0.234 CCCCCCNCCNC(=O)C 2230a_100000210581_100000189650 [0,1,0,0,0,0|2,0,1]=4 707 B12R0.234 CCCCCCNCCNC(=O)N 2230a_100000210581_200000034859 [0,1,0,0,0,0|2,0,1]=4 708 B12R0.234 CCCCCCNCCNC(=O)N 34a_100020590234_100000210314 [0,1,0,0,0,0|2,0,1]=4 709 B12R0.234 CCCCCCOC/C=C/B(O)O 34a_100000210259_100016262062 [0,1,0,0,0,0|1,0,1]=3 710 B12R0.234 CCCCCCOC/C=C/B(O)O 7a_100000210259_100016262062 [0,1,0,0,0,0|1,0,1]=3 711 B12R0.234 CCCCCCOCCC=C(C)C 34a_100000210259_100011217483 [0,1,0,0,0,0|2,0,1]=4 712 B12R0.234 CCCCCCOCCC=C(C)C 7a_100000210259_100011217483 [0,1,0,0,0,0|2,0,1]=4 713 B12R0.234 CCCCCCOCCC=C(F)F 34a_100000210259_200009816681 [0,1,0,0,0,0|2,0,1]=4 714 B12R0.234 CCCCCCOCCC=C(F)F 7a_100000210259_200009816681 [0,1,0,0,0,0|2,0,1]=4 715 B12R0.234 CCCCCCOCCCC(=O)C 34a_100000210259_100000685027 [0,1,0,0,0,0|1,0,2]=4 716 B12R0.234 CCCCCCOCCCC(=O)C 34a_100000759063_100000210314 [0,1,0,0,0,0|1,0,2]=4 717 B12R0.234 CCCCCCOCCCC(=O)C 7a_100000210259_100011215641 [0,1,0,0,0,0|1,0,2]=4 718 B12R0.234 CCCCCCOCCCC(=O)C 7a_100000759063_100000210314 [0,1,0,0,0,0|1,0,2]=4 719 B12R0.234 CCCCCCOCCCC(=O)N 34a_100000210259_100102525003 [0,1,0,0,0,0|1,0,2]=4 720 B12R0.234 CCCCCCOCCCC(=O)N 7a_100000210259_100102525003 [0,1,0,0,0,0|1,0,2]=4 721 B12R0.234 CCCCCCOCCNC(=O)C 34a_100000158858_100000210314 [0,1,0,0,0,0|2,0,1]=4 722 B12R0.234 CCCCCCOCCNC(=O)C 7a_100000210259_100000189650 [0,1,0,0,0,0|2,0,1]=4 723 B12R0.234 CCCCCCOCCNC(=O)N 34a_100000181757_100000210314 [0,1,0,0,0,0|2,0,1]=4 724 B12R0.234 CCCCCCOCCNC(=O)N 7a_100000210259_200000034859 [0,1,0,0,0,0|2,0,1]=4 725 B12R0.234 CCCCCCOCCOC(=O)C 34a_100000210259_100009814007 [0,1,0,0,0,0|2,0,1]=4 726 B12R0.234 CCCCCCOCCOC(=O)C 7a_100000210259_100009814007 [0,1,0,0,0,0|2,0,1]=4 727 B12R0.234 CCCCCCOCCOC(=O)N 34a_100000210259_200011214921 [0,1,0,0,0,0|2,0,1]=4 728 B12R0.234 CCCCCCOCCOC(=O)N 7a_100000210259_200011214921 [0,1,0,0,0,0|2,0,1]=4 729 B12R0.234 CCCCCCOCCOC(=O)N 7a_100000766696_100000210314 [0,1,0,0,0,0|2,0,1]=4 730 B12R0.234 CCCCCCSC/C=C/B(O)O 62a_100000210314_100016262062 [0,1,0,0,0,0|1,0,1]=3 731 B12R0.234 CCCCCCSC/C=C/B(O)O 62a_100016262062_100000210757 [0,1,0,0,0,0|1,0,1]=3 732 B12R0.234 CCCCCCSCCC=C(C)C 62a_100000210314_100011217483 [0,1,0,0,0,0|2,0,1]=4 733 B12R0.234 CCCCCCSCCC=C(C)C 62a_100011217483_100000210757 [0,1,0,0,0,0|2,0,1]=4 734 B12R0.234 CCCCCCSCCC=C(F)F 62a_100000210314_200009816681 [0,1,0,0,0,0|2,0,1]=4 735 B12R0.234 CCCCCCSCCC=C(F)F 62a_200009816681_100000210757 [0,1,0,0,0,0|2,0,1]=4 736 B12R0.234 CCCCCCSCCCC(=O)C 62a_100000210314_100011215641 [0,1,0,0,0,0|1,0,2]=4 737 B12R0.234 CCCCCCSCCCC(=O)C 62a_100011215641_100000210757 [0,1,0,0,0,0|1,0,2]=4 738 B12R0.234 CCCCCCSCCCC(=O)N 62a_100000210314_100102525003 [0,1,0,0,0,0|1,0,2]=4 739 B12R0.234 CCCCCCSCCCC(=O)N 62a_100102525003_100000210757 [0,1,0,0,0,0|1,0,2]=4 740 B12R0.234 CCCCCCSCCNC(=O)C 62a_100000189650_100000210757 [0,1,0,0,0,0|2,0,1]=4 741 B12R0.234 CCCCCCSCCNC(=O)C 62a_100000210314_100000189650 [0,1,0,0,0,0|2,0,1]=4 742 B12R0.234 CCCCCCSCCNC(=O)N 62a_100000210314_200000034859 [0,1,0,0,0,0|2,0,1]=4 743 B12R0.234 CCCCCCSCCNC(=O)N 62a_200000034859_100000210757 [0,1,0,0,0,0|2,0,1]=4 744 B12R0.234 CCCCCCSCCOC(=O)C 62a_100000210314_100009814007 [0,1,0,0,0,0|2,0,1]=4 745 B12R0.234 CCCCCCSCCOC(=O)C 62a_100009814007_100000210757 [0,1,0,0,0,0|2,0,1]=4 746 B12R0.234 CCCCCCSCCOC(=O)N 62a_100000210314_200011214921 [0,1,0,0,0,0|2,0,1]=4 747 B12R0.234 CCCCCCSCCOC(=O)N 62a_200011214921_100000210757 [0,1,0,0,0,0|2,0,1]=4 748 B12R0.234 CCCCCNCCCCC(=O)N 34a_100000696515_100000718602 [0,1,0,0,0,0|1,0,2]=4 749 B12R0.234 CCCCCNCCCNC(=O)C 34a_100000736810_100000718602 [0,1,0,0,0,0|2,0,1]=4 750 B12R0.234 CCCCCNCCCSC(=O)C 2230a_100000209983_100000038929 [0,1,0,0,0,0|2,0,1]=4 751 B12R0.234 CCCCCNCCOCC(=O)N 2230a_100000209983_100000076697 [0,1,0,0,0,0|2,0,1]=4 752 B12R0.234 CCCCCNCCOCC(=O)N 34a_100000224656_100000187820 [0,1,0,0,0,0|2,0,1]=4 753 B12R0.234 CCCCCNCCOCC(=O)O 269956a_100000700818_100000210326 [0,1,0,0,0,0|1,0,1]=3 754 B12R0.234 CCCCCNCCOCC(=O)[O-] 34a_100000224656_100020667443 [0,1,0,0,0,0|1,0,2]=4 755 B12R0.234 CCCCCOCCCCC(=O)C 34a_100000210253_100009817362 [0,1,0,0,0,0|1,0,2]=4 756 B12R0.234 CCCCCOCCCCC(=O)C 7a_100000210253_100000735457 [0,1,0,0,0,0|1,0,2]=4 757 B12R0.234 CCCCCOCCCCC(=O)N 34a_100012022536_100000718602 [0,1,0,0,0,0|1,0,2]=4 758 B12R0.234 CCCCCOCCCCC(=O)N 7a_100012022536_100000210326 [0,1,0,0,0,0|1,0,2]=4 759 B12R0.234 CCCCCOCCCNC(=O)C 34a_100000752032_100000718602 [0,1,0,0,0,0|2,0,1]=4 760 B12R0.234 CCCCCOCCCOC(=O)C 34a_100000210253_100000042594 [0,1,0,0,0,0|2,0,1]=4 761 B12R0.234 CCCCCOCCCOC(=O)C 7a_100000210253_100000042594 [0,1,0,0,0,0|2,0,1]=4 762 B12R0.234 CCCCCOCCCSC(=O)C 34a_100000210253_100000038929 [0,1,0,0,0,0|2,0,1]=4 763 B12R0.234 CCCCCOCCCSC(=O)C 7a_100000210253_100000038929 [0,1,0,0,0,0|2,0,1]=4 764 B12R0.234 CCCCCOCCOCC(=O)N 34a_100000210253_100000076697 [0,1,0,0,0,0|2,0,1]=4 765 B12R0.234 CCCCCOCCOCC(=O)N 34a_100011215259_100000187820 [0,1,0,0,0,0|2,0,1]=4 766 B12R0.234 CCCCCOCCOCC(=O)N 7a_100000210253_100000076697 [0,1,0,0,0,0|2,0,1]=4 767 B12R0.234 CCCCCOCCOCC(=O)N 7a_100011215259_100000187820 [0,1,0,0,0,0|2,0,1]=4 768 B12R0.234 CCCCCOCCOCC(=O)[O-] 34a_100011215259_100020667443 [0,1,0,0,0,0|1,0,2]=4 769 B12R0.234 CCCCCSCCCCC(=O)C 62a_100000210326_100000735457 [0,1,0,0,0,0|1,0,2]=4 770 B12R0.234 CCCCCSCCCCC(=O)C 62a_100000735457_100000210326 [0,1,0,0,0,0|1,0,2]=4 771 B12R0.234 CCCCCSCCCOC(=O)C 62a_100000042594_100000210326 [0,1,0,0,0,0|2,0,1]=4 772 B12R0.234 CCCCCSCCCOC(=O)C 62a_100000210326_100000042594 [0,1,0,0,0,0|2,0,1]=4 773 B12R0.234 CCCCCSCCCSC(=O)C 62a_100000038929_100000210326 [0,1,0,0,0,0|2,0,1]=4 774 B12R0.234 CCCCCSCCCSC(=O)C 62a_100000210326_100000038929 [0,1,0,0,0,0|2,0,1]=4 775 B12R0.234 CCCCCSCCOCC(=O)N 62a_100000076697_100000210326 [0,1,0,0,0,0|2,0,1]=4 776 B12R0.234 CCCCCSCCOCC(=O)N 62a_100000210326_100000076697 [0,1,0,0,0,0|2,0,1]=4 777 B12R0.234 CCCCNCCC/C=C/B(O)O 2230a_100000102301_200016261450 [0,1,0,0,0,0|1,0,1]=3 778 B12R0.234 CCCCNCCC/C=C/B(O)O 7a_106832991798_200016261450 [0,1,0,0,0,0|1,0,1]=3 779 B12R0.234 CCCCNCCCCCC(=O)N 2230a_100000102301_100009817443 [0,1,0,0,0,0|1,0,2]=4 780 B12R0.234 CCCCNCCCCCC(=O)N 7a_106832991798_100009817443 [0,1,0,0,0,0|1,0,2]=4 781 B12R0.234 CCCCNCCCCNC(=O)C 2230a_200011368371_100000210211 [0,1,0,0,0,0|2,0,1]=4 782 B12R0.234 CCCCNCCCCNC(=O)C 34a_200011368371_100000210210 [0,1,0,0,0,0|2,0,1]=4 783 B12R0.234 CCCCNCCCCOC(=O)C 7a_106832991798_100000033659 [0,1,0,0,0,0|2,0,1]=4 784 B12R0.234 CCCCNCCCCSC(=O)C 2230a_100000102301_200010402107 [0,1,0,0,0,0|2,0,1]=4 785 B12R0.234 CCCCNCCCCSC(=O)C 7a_106832991798_200010402107 [0,1,0,0,0,0|2,0,1]=4 786 B12R0.234 CCCCOCCC/C=C/B(O)O 34a_100000210227_200016261450 [0,1,0,0,0,0|1,0,1]=3 787 B12R0.234 CCCCOCCC/C=C/B(O)O 7a_100000210227_200016261450 [0,1,0,0,0,0|1,0,1]=3 788 B12R0.234 CCCCOCCCCCC(=O)N 34a_100000123541_100000210210 [0,1,0,0,0,0|1,0,2]=4 789 B12R0.234 CCCCOCCCCCC(=O)N 34a_100000210227_100009817443 [0,1,0,0,0,0|1,0,2]=4 790 B12R0.234 CCCCOCCCCCC(=O)N 7a_100000123541_100000210211 [0,1,0,0,0,0|1,0,2]=4 791 B12R0.234 CCCCOCCCCCC(=O)N 7a_100000210227_100009817443 [0,1,0,0,0,0|1,0,2]=4 792 B12R0.234 CCCCOCCCCCC(=O)[O-] 7a_100102619762_100000210211 [0,1,0,0,0,0|0,0,3]=4 793 B12R0.234 CCCCOCCCCOC(=O)C 34a_100000073216_100000210210 [0,1,0,0,0,0|2,0,1]=4 794 B12R0.234 CCCCOCCCCOC(=O)C 34a_100000210227_100000033659 [0,1,0,0,0,0|2,0,1]=4 795 B12R0.234 CCCCOCCCCOC(=O)C 7a_100000073216_100000210211 [0,1,0,0,0,0|2,0,1]=4 796 B12R0.234 CCCCOCCCCOC(=O)C 7a_100000210227_100000033659 [0,1,0,0,0,0|2,0,1]=4 797 B12R0.234 CCCCOCCCCSC(=O)C 34a_100000210227_200010402107 [0,1,0,0,0,0|2,0,1]=4 798 B12R0.234 CCCCOCCCCSC(=O)C 7a_100000210227_200010402107 [0,1,0,0,0,0|2,0,1]=4 799 B12R0.234 CCCCOCCCNCC(=O)N 2230a_200000211371_100000747473 [0,1,0,0,0,0|2,0,1]=4 800 B12R0.234 CCCCOCCCNCC(=O)N 34a_200000211371_100000187820 [0,1,0,0,0,0|2,0,1]=4 801 B12R0.234 CCCCOCCCNCC(=O)[O-] 34a_200000211371_100020667443 [0,1,0,0,0,0|1,0,2]=4 802 B12R0.234 CCCCOCCCOCC(=O)N 34a_200011215613_100000187820 [0,1,0,0,0,0|2,0,1]=4 803 B12R0.234 CCCCOCCCOCC(=O)N 7a_200011215613_100000187820 [0,1,0,0,0,0|2,0,1]=4 804 B12R0.234 CCCCOCCCOCC(=O)[O-] 34a_200011215613_100020667443 [0,1,0,0,0,0|1,0,2]=4 805 B12R0.234 CCCCOCCNOCC(=O)O 269956a_100000106656_100000743108 [0,1,0,0,0,0|2,0,1]=4 806 B12R0.234 CCCCOCSC/C=C/B(O)O 62a_100011995733_100016262062 [0,1,0,0,0,0|2,0,1]=4 807 B12R0.234 CCCCOCSC/C=C/B(O)O 62a_100016262062_100011995733 [0,1,0,0,0,0|2,0,1]=4 808 B12R0.234 CCCCSCCC/C=C/B(O)O 62a_100000210211_200016261450 [0,1,0,0,0,0|1,0,1]=3 809 B12R0.234 CCCCSCCC/C=C/B(O)O 62a_200016261450_100000210210 [0,1,0,0,0,0|1,0,1]=3 810 B12R0.234 CCCCSCCCCCC(=O)N 62a_100000210211_100009817443 [0,1,0,0,0,0|1,0,2]=4 811 B12R0.234 CCCCSCCCCCC(=O)N 62a_100009817443_100000210210 [0,1,0,0,0,0|1,0,2]=4 812 B12R0.234 CCCCSCCCCOC(=O)C 62a_100000033659_100000210210 [0,1,0,0,0,0|2,0,1]=4 813 B12R0.234 CCCCSCCCCOC(=O)C 62a_100000210211_100000033659 [0,1,0,0,0,0|2,0,1]=4 814 B12R0.234 CCCCSCCCCSC(=O)C 62a_100000210211_200010402107 [0,1,0,0,0,0|2,0,1]=4 815 B12R0.234 CCCCSCCCCSC(=O)C 62a_200010402107_100000210210 [0,1,0,0,0,0|2,0,1]=4 816 B12R0.234 CCCNCCCCCNC(=O)C 2230a_200012022750_100000210303 [0,1,0,0,0,0|2,0,1]=4 817 B12R0.234 CCCNCCCCCNC(=O)C 34a_200012022750_100000210303 [0,1,0,0,0,0|2,0,1]=4 818 B12R0.234 CCCOCCCCCOC(=O)C 34a_100000210258_100000033007 [0,1,0,0,0,0|2,0,1]=4 819 B12R0.234 CCCOCCNC/C=C/B(O)O 2230a_100161115042_100016262062 [0,1,0,0,0,0|2,0,1]=4 820 B12R0.234 CCCOCCNC/C=C/B(O)O 34a_100161115042_100016262062 [0,1,0,0,0,0|2,0,1]=4 821 B12R0.234 CCCOCCOC/C=C/B(O)O 34a_100000752267_100016262062 [0,1,0,0,0,0|2,0,1]=4 822 B12R0.234 CCCOCCOC/C=C/B(O)O 7a_100000752267_100016262062 [0,1,0,0,0,0|2,0,1]=4 823 B12R0.234 CCCOCCSC/C=C/B(O)O 62a_100011215938_100016262062 [0,1,0,0,0,0|2,0,1]=4 824 B12R0.234 CCCOCCSC/C=C/B(O)O 62a_100016262062_100011215938 [0,1,0,0,0,0|2,0,1]=4 825 B12R0.234 CCCSCCCCCOC(=O)C 62a_100000033007_100000210303 [0,1,0,0,0,0|2,0,1]=4 826 B12R0.234 CCCSCCCCCOC(=O)C 62a_100000210303_100000033007 [0,1,0,0,0,0|2,0,1]=4 827 B12R0.234 CCCSCCNC/C=C/B(O)O 2230a_100020603323_100016262062 [0,1,0,0,0,0|2,0,1]=4 828 B12R0.234 CCCSCCOC/C=C/B(O)O 34a_200000230433_100016262062 [0,1,0,0,0,0|2,0,1]=4 829 B12R0.234 CCCSCCOC/C=C/B(O)O 7a_200000230433_100016262062 [0,1,0,0,0,0|2,0,1]=4 830 B12R0.234 CCNCCCCCCNC(=O)C 2230a_200011996284_100000210202 [0,1,0,0,0,0|2,0,1]=4 831 B12R0.234 CCNCCCCCCNC(=O)C 34a_200011996284_100000210202 [0,1,0,0,0,0|2,0,1]=4 832 B12R0.234 CCNCCOCCOCC(=O)O 269956a_100009854275_100000210202 [0,1,0,0,0,0|2,0,1]=4 833 B12R0.234 CCOCCCNC/C=C/B(O)O 2230a_100000210961_100016262062 [0,1,0,0,0,0|2,0,1]=4 834 B12R0.234 CCOCCCNC/C=C/B(O)O 34a_100000210961_100016262062 [0,1,0,0,0,0|2,0,1]=4 835 B12R0.234 CCOCCCOC/C=C/B(O)O 34a_100000757476_100016262062 [0,1,0,0,0,0|2,0,1]=4 836 B12R0.234 CCOCCCOC/C=C/B(O)O 7a_100000757476_100016262062 [0,1,0,0,0,0|2,0,1]=4 837 B12R0.234 CCOCCCSC/C=C/B(O)O 62a_100012232248_100016262062 [0,1,0,0,0,0|2,0,1]=4 838 B12R0.234 CCOCCCSC/C=C/B(O)O 62a_100016262062_100012232248 [0,1,0,0,0,0|2,0,1]=4 839 B12R0.234 CCOCCNCCOCC(=O)O 269956a_100000700818_100000210147 [0,1,0,0,0,0|2,0,1]=4 840 B12R0.234 CCOCCOCCNCC(=O)O 269956a_100016091260_100011211534 [0,1,0,0,0,0|2,0,1]=4 841 B12R0.234 CCOCSCCC/C=C/B(O)O 62a_100000739092_200016261450 [0,1,0,0,0,0|2,0,1]=4 842 B12R0.234 CCOCSCCC/C=C/B(O)O 62a_200016261450_100000739092 [0,1,0,0,0,0|2,0,1]=4 843 B12R0.234 CCSCCCOC/C=C/B(O)O 34a_100011216438_100016262062 [0,1,0,0,0,0|2,0,1]=4 844 B12R0.234 CCSCCCOC/C=C/B(O)O 7a_100011216438_100016262062 [0,1,0,0,0,0|2,0,1]=4 845 B12R0.234 CCSCCNCCOCC(=O)O 269956a_100000700818_100000757381 [0,1,0,0,0,0|2,0,1]=4 846 B12R0.234 COCCCCCCNCC(=O)N 2230a_100000711301_100011998445 [0,1,0,0,0,0|2,0,1]=4 847 B12R0.234 COCCCCCCNCC(=O)O 269956a_100016091260_100011998445 [0,1,0,0,0,0|1,0,1]=3 848 B12R0.234 COCCCCCCOCC(=O)C 34a_100000211253_100011998445 [0,1,0,0,0,0|2,0,1]=4 849 B12R0.234 COCCCCCCOCC(=O)N 34a_200012092642_100000187820 [0,1,0,0,0,0|2,0,1]=4 850 B12R0.234 COCCCCCCOCC(=O)N 7a_200012092642_100000187820 [0,1,0,0,0,0|2,0,1]=4 851 B12R0.234 COCCCCCCOCC(=O)[O-] 34a_200012092642_100020667443 [0,1,0,0,0,0|1,0,2]=4 852 B12R0.234 COCCCCCCSCC(=O)N 62a_100000747473_100011998445 [0,1,0,0,0,0|2,0,1]=4 853 B12R0.234 COCCCCCCSCC(=O)N 62a_100011998445_100000747473 [0,1,0,0,0,0|2,0,1]=4 854 B12R0.234 COCCCCCCSCC(=O)[O-] 62a_100011998445_100020667443 [0,1,0,0,0,0|1,0,2]=4 855 B12R0.234 COCCCCCCSCC(=O)[O-] 62a_100020667443_100011998445 [0,1,0,0,0,0|1,0,2]=4 856 B12R0.234 COCCCCOC/C=C/B(O)O 34a_100000740925_100016262062 [0,1,0,0,0,0|2,0,1]=4 857 B12R0.234 COCCCCSC/C=C/B(O)O 62a_100000730899_100016262062 [0,1,0,0,0,0|2,0,1]=4 858 B12R0.234 COCCCCSC/C=C/B(O)O 62a_100016262062_100000730899 [0,1,0,0,0,0|2,0,1]=4 859 B12R0.234 COCCCNCCOCC(=O)O 269956a_100000700818_100000740836 [0,1,0,0,0,0|2,0,1]=4 860 B12R0.234 COCCNCCC/C=C/B(O)O 2230a_100000209980_200016261450 [0,1,0,0,0,0|2,0,1]=4 861 B12R0.234 COCCOCCC/C=C/B(O)O 34a_100000210237_200016261450 [0,1,0,0,0,0|2,0,1]=4 862 B12R0.234 COCCOCCCNCC(=O)O 269956a_100016091260_100011216529 [0,1,0,0,0,0|2,0,1]=4 863 B12R0.234 COCCSCCC/C=C/B(O)O 62a_100000233755_200016261450 [0,1,0,0,0,0|2,0,1]=4 864 B12R0.234 COCCSCCC/C=C/B(O)O 62a_200016261450_100000233755 [0,1,0,0,0,0|2,0,1]=4 865 B12R0.234 CSCCCCOC/C=C/B(O)O 34a_100011217163_100016262062 [0,1,0,0,0,0|2,0,1]=4 866 B12R0.234 CSCCCCOC/C=C/B(O)O 7a_100011217163_100016262062 [0,1,0,0,0,0|2,0,1]=4 867 B12R0.234 CSCCNCCC/C=C/B(O)O 2230a_100020590264_200016261450 [0,1,0,0,0,0|2,0,1]=4 868 B12R0.234 CSCCOCCC/C=C/B(O)O 34a_100000230434_200016261450 [0,1,0,0,0,0|2,0,1]=4 869 B12R0.234 CSCCOCCC/C=C/B(O)O 7a_100000230434_200016261450 [0,1,0,0,0,0|2,0,1]=4 870 B12R0.234 CSCCSCCC/C=C/B(O)O 62a_100000212216_200016261450 [0,1,0,0,0,0|2,0,1]=4 871 B12R0.234 CSCCSCCC/C=C/B(O)O 62a_200016261450_100000751147 [0,1,0,0,0,0|2,0,1]=4 872 B12R0.234 N#CCCCCCCNCC(=O)O 269956a_100016091260_100009813337 [0,1,0,0,0,0|1,0,2]=4 873 B12R0.234 NC(=O)CNCCCCCCCO 2230a_100000711301_100000760002 [0,1,0,0,0,0|2,0,1]=4 874 B12R0.234 NC(=O)CNCCCCCCCO 2230a_100011996573_100000747473 [0,1,0,0,0,0|2,0,1]=4 875 B12R0.234 NC(=O)CNCCCCCCCO 34a_100011996573_100000187820 [0,1,0,0,0,0|2,0,1]=4 876 B12R0.234 NC(=O)COCCCCCCCBr 34a_100000760002_100000187820 [0,1,0,0,0,0|2,0,1]=4 877 B12R0.234 NC(=O)COCCCCCCCBr 7a_100000760002_100000187820 [0,1,0,0,0,0|2,0,1]=4 878 B12R0.234 NC(=O)CSCCCCCCCO 62a_100000747473_100000760002 [0,1,0,0,0,0|2,0,1]=4 879 B12R0.234 NC(=O)CSCCCCCCCO 62a_100000760002_100000747473 [0,1,0,0,0,0|2,0,1]=4 880 B12R0.234 NCCCCCCCOCC(=O)N 34a_100011996573_100000187820 [0,1,0,0,0,0|2,0,1]=4 881 B12R0.234 NCCCCCCCOCC(=O)[O-] 34a_100011996573_100020667443 [0,1,0,0,0,0|1,0,2]=4 882 B12R0.234 NCCCCCOC/C=C/B(O)O 34a_100000762737_100016262062 [0,1,0,0,0,0|2,0,1]=4 883 B12R0.234 NCCCOCCC/C=C/B(O)O 34a_100000182051_200016261450 [0,1,0,0,0,0|2,0,1]=4 884 B12R0.234 O=C(O)CNCCCCCCCO 269956a_100016091260_100000760002 [0,1,0,0,0,0|1,0,1]=3 885 B12R0.234 O=C(O)COCCNCCCCF 269956a_100000700818_100000729493 [0,1,0,0,0,0|2,0,1]=4 886 B12R0.234 O=C(O)COCCNCCCCO 269956a_100000700818_100000210776 [0,1,0,0,0,0|2,0,1]=4 887 B12R0.234 O=C(O)CONCCCCCCF 269956a_100000106656_100015922095 [0,1,0,0,0,0|2,0,1]=4 888 B12R0.234 O=C(O)CONCCCCCCO 269956a_100000106656_100000766143 [0,1,0,0,0,0|2,0,1]=4 889 B12R0.234 O=C([O-])CNCCCCCCCO 34a_100011996573_100020667443 [0,1,0,0,0,0|1,0,2]=4 890 B12R0.234 O=C([O-])COCCCCCCCBr 34a_100000760002_100020667443 [0,1,0,0,0,0|1,0,2]=4 891 B12R0.234 O=C([O-])CSCCCCCCCO 62a_100000760002_100020667443 [0,1,0,0,0,0|1,0,2]=4 892 B12R0.234 O=C([O-])CSCCCCCCCO 62a_100020667443_100000760002 [0,1,0,0,0,0|1,0,2]=4 893 B12R0.234 OB(O)/C=C/CCCNCCCF 2230a_100015189416_200016261450 [0,1,0,0,0,0|2,0,1]=4 894 B12R0.234 OB(O)/C=C/CCCNCCCF 34a_100015189416_200016261450 [0,1,0,0,0,0|2,0,1]=4 895 B12R0.234 OB(O)/C=C/CCCOCCCBr 34a_100011217188_200016261450 [0,1,0,0,0,0|2,0,1]=4 896 B12R0.234 OB(O)/C=C/CCCOCCCCl 34a_100000230001_200016261450 [0,1,0,0,0,0|2,0,1]=4 897 B12R0.234 OB(O)/C=C/CCCOCCCF 34a_100000759539_200016261450 [0,1,0,0,0,0|2,0,1]=4 898 B12R0.234 OB(O)/C=C/CCCSCCCF 62a_100011934791_200016261450 [0,1,0,0,0,0|2,0,1]=4 899 B12R0.234 OB(O)/C=C/CCCSCCCF 62a_200016261450_100011934791 [0,1,0,0,0,0|2,0,1]=4 900 B12R0.234 OB(O)/C=C/COCCCCCBr 34a_100000746331_100016262062 [0,1,0,0,0,0|2,0,1]=4 901 B12R0.234 OB(O)/C=C/COCCCCCBr 7a_100000746331_100016262062 [0,1,0,0,0,0|2,0,1]=4 902 B12R0.234 OB(O)/C=C/COCCCCCCl 34a_100000746330_100016262062 [0,1,0,0,0,0|2,0,1]=4 903 B12R0.234 OB(O)/C=C/COCCCCCCl 7a_100000746330_100016262062 [0,1,0,0,0,0|2,0,1]=4 904 B12R0.234 OB(O)/C=C/COCCCCCI 34a_200012148887_100016262062 [0,1,0,0,0,0|2,0,1]=4 905 B12R0.234 OB(O)/C=C/COCCCCCI 7a_200012148887_100016262062 [0,1,0,0,0,0|2,0,1]=4 906 B12R0.234 OB(O)/C=C/CSCCCCCF 62a_100000729378_100016262062 [0,1,0,0,0,0|2,0,1]=4 907 B12R0.234 OB(O)/C=C/CSCCCCCF 62a_100016262062_100000729378 [0,1,0,0,0,0|2,0,1]=4 908 B12R0.234 OCCCCCNC/C=C/B(O)O 2230a_100000762737_100016262062 [0,1,0,0,0,0|2,0,1]=4 909 B12R0.234 OCCCCCNC/C=C/B(O)O 34a_100000762737_100016262062 [0,1,0,0,0,0|2,0,1]=4 910 B12R0.234 OCCCCCSC/C=C/B(O)O 62a_100000746330_100016262062 [0,1,0,0,0,0|2,0,1]=4 911 B12R0.234 OCCCCCSC/C=C/B(O)O 62a_100016262062_100000746330 [0,1,0,0,0,0|2,0,1]=4 912 B12R0.234 OCCCSCCC/C=C/B(O)O 62a_100011215043_200016261450 [0,1,0,0,0,0|2,0,1]=4 913 B12R0.234 OCCCSCCC/C=C/B(O)O 62a_200016261450_100011215043 [0,1,0,0,0,0|2,0,1]=4 914 B12R0.234 [13CH3]C(=O)CCCCCCCCCF 1458a_200009909015_200025704644 [0,1,0,0,0,0|1,0,2]=4 915 B12R0.248 C#CC(=O)CCCCCCCCC 1458a_100000211873_100000210670 [0,1,0,0,0,0|1,0,2]=4 916 B12R0.248 C#CCCCNC/C=C/C(=O)OC 34a_100000718082_100000742655 [0,1,0,0,0,0|1,0,2]=4 917 B12R0.248 C#CCCCOC/C=C/C(=O)OC 34a_100000215630_100000742655 [0,1,0,0,0,0|1,0,2]=4 918 B12R0.248 C#CCCCOC/C=C/C(=O)OC 7a_100000215630_100000742655 [0,1,0,0,0,0|1,0,2]=4 919 B12R0.248 C#CCCCSC/C=C/C(=O)OC 62a_100000742655_100011215417 [0,1,0,0,0,0|1,0,2]=4 920 B12R0.248 C#CCCCSC/C=C/C(=O)OC 62a_100011215417_100000742655 [0,1,0,0,0,0|1,0,2]=4 921 B12R0.248 C/C=C/CCOC/C=C/C(=O)OC 34a_100016278192_100000742655 [0,1,0,0,0,0|1,0,2]=4 922 B12R0.248 C=CC(=O)CCCCCCCCC 1458a_100000185746_100000210670 [0,1,0,0,0,0|1,0,2]=4 923 B12R0.248 C=CC(=O)NCCCCCCCC 1626a_100000229939_100000185746 [0,1,0,0,0,0|2,0,1]=4 924 B12R0.248 C=CC(=O)NCCCCCCCC 240690a_100000229939_200121576911 [0,1,0,0,0,0|2,0,1]=4 925 B12R0.248 C=CCCCNC/C=C/C(=O)OC 2230a_100000700776_100000742655 [0,1,0,0,0,0|1,0,2]=4 926 B12R0.248 C=CCCCNC/C=C/C(=O)OC 34a_100000700776_100000742655 [0,1,0,0,0,0|1,0,2]=4 927 B12R0.248 C=CCCCOC/C=C/C(=O)OC 34a_100000758997_100000742655 [0,1,0,0,0,0|1,0,2]=4 928 B12R0.248 C=CCCCOC/C=C/C(=O)OC 7a_100000758997_100000742655 [0,1,0,0,0,0|1,0,2]=4 929 B12R0.248 C=CCCCSC/C=C/C(=O)OC 62a_100000742655_100000757094 [0,1,0,0,0,0|1,0,2]=4 930 B12R0.248 C=CCCCSC/C=C/C(=O)OC 62a_100011713584_100000742655 [0,1,0,0,0,0|1,0,2]=4 931 B12R0.248 CC#CCCOC/C=C/C(=O)OC 34a_100000750427_100000742655 [0,1,0,0,0,0|1,0,2]=4 932 B12R0.248 CC/C=C\COC/C=C/C(=O)OC 34a_100016268518_100000742655 [0,1,0,0,0,0|1,0,2]=4 933 B12R0.248 CC/C=C\CSC/C=C/C(=O)OC 62a_100000742655_100103147603 [0,1,0,0,0,0|1,0,2]=4 934 B12R0.248 CC/C=C\CSC/C=C/C(=O)OC 62a_100103147603_100000742655 [0,1,0,0,0,0|1,0,2]=4 935 B12R0.248 CCC#CCOC/C=C/C(=O)OC 34a_100000032950_100000742655 [0,1,0,0,0,0|1,0,2]=4 936 B12R0.248 CCC#CCSC/C=C/C(=O)OC 62a_100000742655_100009813939 [0,1,0,0,0,0|1,0,2]=4 937 B12R0.248 CCC#CCSC/C=C/C(=O)OC 62a_100009813939_100000742655 [0,1,0,0,0,0|1,0,2]=4 938 B12R0.248 CCCCCC/C=C/CC(=O)CC 1458a_100020681715_100000210202 [0,1,0,0,0,0|1,0,2]=4 939 B12R0.248 CCCCCC/C=C/CC(=O)CF 1458a_100020681715_100015361967 [0,1,0,0,0,0|1,0,2]=4 940 B12R0.248 CCCCCC/C=C/CC(=O)NC 11a_106832991635_100020681715 [0,1,0,0,0,0|1,0,2]=4 941 B12R0.248 CCCCCC/C=C/CC(=O)NC 1626a_100102657272_100020681715 [0,1,0,0,0,0|1,0,2]=4 942 B12R0.248 CCCCCC/C=C/CC(=O)NC 240690a_100102657272_100020681715 [0,1,0,0,0,0|1,0,2]=4 943 B12R0.248 CCCCCCCC=CC(=O)CC 1458a_200015332781_100000210202 [0,1,0,0,0,0|1,0,0]=2 944 B12R0.248 CCCCCCCC=CC(=O)CF 1458a_200015332781_100015361967 [0,1,0,0,0,0|1,0,0]=2 945 B12R0.248 CCCCCCCC=CC(=O)NC 11a_106832991635_200015332781 [0,1,0,0,0,0|1,0,0]=2 946 B12R0.248 CCCCCCCC=CC(=O)NC 1626a_100102657272_200015332781 [0,1,0,0,0,0|1,0,0]=2 947 B12R0.248 CCCCCCCC=CC(=O)NC 240690a_100102657272_200015332781 [0,1,0,0,0,0|1,0,0]=2 948 B12R0.248 CCCCCCCCCC(=O)CC 1458a_100000210414_100000210670 [0,1,0,0,0,0|1,0,2]=4 949 B12R0.248 CCCCCCCCCC(=O)CC 1458a_100000210558_100000210202 [0,1,0,0,0,0|1,0,2]=4 950 B12R0.248 CCCCCCCCCC(=O)CF 1458a_100000210558_100015361967 [0,1,0,0,0,0|1,0,2]=4 951 B12R0.248 CCCCCCCCCC(=O)CO 1458a_100000210174_100000210670 [0,1,0,0,0,0|0,0,2]=3 952 B12R0.248 CCCCCCCCCC(=O)NC 11a_106832991635_100000210558 [0,1,0,0,0,0|1,0,2]=4 953 B12R0.248 CCCCCCCCCC(=O)NC 1626a_100102657272_100000210558 [0,1,0,0,0,0|1,0,2]=4 954 B12R0.248 CCCCCCCCCC(=O)NC 240690a_100102657272_100000210558 [0,1,0,0,0,0|1,0,2]=4 955 B12R0.248 CCCCCCCCCC(=O)NC 527a_100102657272_100000210558 [0,1,0,0,0,0|1,0,2]=4 956 B12R0.248 CCCCCCCCNC(=O)CC 11a_100000229939_100000210414 [0,1,0,0,0,0|2,0,1]=4 957 B12R0.248 CCCCCCCCNC(=O)CC 1626a_100000229939_100000210414 [0,1,0,0,0,0|2,0,1]=4 958 B12R0.248 CCCCCCCCNC(=O)CC 240690a_100000229939_100000210414 [0,1,0,0,0,0|2,0,1]=4 959 B12R0.248 CCCCCCCCNC(=O)CC 527a_100000229939_100000210414 [0,1,0,0,0,0|2,0,1]=4 960 B12R0.248 CCCCCCCCNC(=O)CO 240690a_100000229939_100000210174 [0,1,0,0,0,0|1,0,1]=3 961 B12R0.248 CCCCCCCCNC(=O)CO 527a_100000229939_100000210174 [0,1,0,0,0,0|1,0,1]=3 962 B12R0.248 CCCCCCCCNC(=O)NC 2708a_100000229939_106832991635 [0,1,0,0,0,0|2,0,1]=4 963 B12R0.248 CCCCCCCCNC(=O)NC 2708a_100102657272_100000229939 [0,1,0,0,0,0|2,0,1]=4 964 B12R0.248 CCCCCCCCNC(=O)NC 273464a_100000229939_100102657272 [0,1,0,0,0,0|2,0,1]=4 965 B12R0.248 CCCCCCCCNC(=O)NC 273464a_100102657272_100000229939 [0,1,0,0,0,0|2,0,1]=4 966 B12R0.248 CCCCCCCCNC(=O)NC 512a_100000229939_100102657272 [0,1,0,0,0,0|2,0,1]=4 967 B12R0.248 CCCCCCCCNC(=O)NC 512a_106832991638_100000229939 [0,1,0,0,0,0|2,0,1]=4 968 B12R0.248 CCCCCCCNCC(=O)NC 2230a_100000229938_100000183359 [0,1,0,0,0,0|2,0,1]=4 969 B12R0.248 CCCCCCCNCC(=O)NC 2230a_100000693194_100000210681 [0,1,0,0,0,0|2,0,1]=4 970 B12R0.248 CCCCCCCNCC(=O)OC 2230a_100000229938_100000747449 [0,1,0,0,0,0|1,0,1]=3 971 B12R0.248 CCCCCCCOCC(=O)CC 34a_100000725409_100000210614 [0,1,0,0,0,0|2,0,1]=4 972 B12R0.248 CCCCCCCOCC(=O)CC 7a_100000210272_100000747405 [0,1,0,0,0,0|2,0,1]=4 973 B12R0.248 CCCCCCCOCC(=O)NC 34a_100000210272_100000183359 [0,1,0,0,0,0|2,0,1]=4 974 B12R0.248 CCCCCCCOCC(=O)NC 34a_100000750040_100000210614 [0,1,0,0,0,0|2,0,1]=4 975 B12R0.248 CCCCCCCOCC(=O)NC 7a_100000210272_100000183359 [0,1,0,0,0,0|2,0,1]=4 976 B12R0.248 CCCCCCCOCC(=O)OC 34a_100000210272_100000747449 [0,1,0,0,0,0|1,0,1]=3 977 B12R0.248 CCCCCCCOCC(=O)OC 7a_100000210272_100000747449 [0,1,0,0,0,0|1,0,1]=3 978 B12R0.248 CCCCCCCSCC(=O)CC 62a_100000210614_100000747405 [0,1,0,0,0,0|2,0,1]=4 979 B12R0.248 CCCCCCCSCC(=O)CC 62a_100000747405_100000210316 [0,1,0,0,0,0|2,0,1]=4 980 B12R0.248 CCCCCCCSCC(=O)NC 62a_100000183359_100000210316 [0,1,0,0,0,0|2,0,1]=4 981 B12R0.248 CCCCCCCSCC(=O)NC 62a_100000210614_100000183359 [0,1,0,0,0,0|2,0,1]=4 982 B12R0.248 CCCCCCCSCC(=O)OC 62a_100000210614_100000747449 [0,1,0,0,0,0|1,0,1]=3 983 B12R0.248 CCCCCCCSCC(=O)OC 62a_100000747449_100000210316 [0,1,0,0,0,0|1,0,1]=3 984 B12R0.248 CCCCCCNCCC(=O)OC 2230a_100000210581_100000204255 [0,1,0,0,0,0|1,0,2]=4 985 B12R0.248 CCCCCCOCCC(=O)OC 34a_100000210259_100000742370 [0,1,0,0,0,0|1,0,2]=4 986 B12R0.248 CCCCCCOCCC(=O)OC 7a_100000210259_100000204255 [0,1,0,0,0,0|1,0,2]=4 987 B12R0.248 CCCCCCSCCC(=O)OC 62a_100000204255_100000210757 [0,1,0,0,0,0|1,0,2]=4 988 B12R0.248 CCCCCCSCCC(=O)OC 62a_100000210314_100000204255 [0,1,0,0,0,0|1,0,2]=4 989 B12R0.248 CCCCCCSCOC(=O)OC 62a_100000210314_100000139417 [0,1,0,0,0,0|2,0,1]=4 990 B12R0.248 CCCCCNC/C=C/C(=O)OC 2230a_100000209983_100000742655 [0,1,0,0,0,0|1,0,0]=2 991 B12R0.248 CCCCCNCCCC(=O)OC 2230a_100000209983_100011218270 [0,1,0,0,0,0|1,0,2]=4 992 B12R0.248 CCCCCNN=CCC(=O)OC 4a_100000694160_200011552997 [0,1,0,0,0,0|2,0,1]=4 993 B12R0.248 CCCCCOC/C=C/C(=O)OC 34a_100000210253_100000742655 [0,1,0,0,0,0|1,0,0]=2 994 B12R0.248 CCCCCOC/C=C/C(=O)OC 7a_100000210253_100000742655 [0,1,0,0,0,0|1,0,0]=2 995 B12R0.248 CCCCCOCCCC(=O)OC 34a_100000210253_100000742333 [0,1,0,0,0,0|1,0,2]=4 996 B12R0.248 CCCCCOCCCC(=O)OC 7a_100000210253_100011218270 [0,1,0,0,0,0|1,0,2]=4 997 B12R0.248 CCCCCOCCNC(=O)OC 34a_100000757965_100000718602 [0,1,0,0,0,0|2,0,1]=4 998 B12R0.248 CCCCCOCCOC(=O)OC 34a_100010262106_100000718602 [0,1,0,0,0,0|2,0,1]=4 999 B12R0.248 CCCCCSC/C=C/C(=O)OC 62a_100000210326_100000742655 [0,1,0,0,0,0|1,0,0]=2 1000 B12R0.248 CCCCCSC/C=C/C(=O)OC 62a_100000742655_100000210326 [0,1,0,0,0,0|1,0,0]=2 1001 B12R0.248 CCCCCSCCCC(=O)OC 62a_100000210326_100011218270 [0,1,0,0,0,0|1,0,2]=4 1002 B12R0.248 CCCCCSCCCC(=O)OC 62a_100011218270_100000210326 [0,1,0,0,0,0|1,0,2]=4 1003 B12R0.248 CCCCNCCCCC(=O)OC 2230a_100000102301_100000204269 [0,1,0,0,0,0|1,0,2]=4 1004 B12R0.248 CCCCNCCCCC(=O)OC 7a_106832991798_100000204269 [0,1,0,0,0,0|1,0,2]=4 1005 B12R0.248 CCCCNCCOCC(=O)OC 2230a_100000102301_100000090808 [0,1,0,0,0,0|2,0,1]=4 1006 B12R0.248 CCCCNCCOCC(=O)OC 7a_106832991798_100000090808 [0,1,0,0,0,0|2,0,1]=4 1007 B12R0.248 CCCCNN=CC=CC(=O)OC 4a_100025702795_100016254430 [0,1,0,0,0,0|2,0,1]=4 1008 B12R0.248 CCCCOCCCCC(=O)OC 34a_100000059025_100000210210 [0,1,0,0,0,0|1,0,2]=4 1009 B12R0.248 CCCCOCCCCC(=O)OC 34a_100000210227_100000204269 [0,1,0,0,0,0|1,0,2]=4 1010 B12R0.248 CCCCOCCCCC(=O)OC 7a_100000059025_100000210211 [0,1,0,0,0,0|1,0,2]=4 1011 B12R0.248 CCCCOCCCCC(=O)OC 7a_100000210227_100000204269 [0,1,0,0,0,0|1,0,2]=4 1012 B12R0.248 CCCCOCCCNC(=O)CO 240690a_200000211371_100000210174 [0,1,0,0,0,0|2,0,1]=4 1013 B12R0.248 CCCCOCCCNC(=O)CO 527a_200000211371_100000210174 [0,1,0,0,0,0|2,0,1]=4 1014 B12R0.248 CCCCOCCOCC(=O)OC 34a_100000210227_100000090808 [0,1,0,0,0,0|2,0,1]=4 1015 B12R0.248 CCCCOCCOCC(=O)OC 34a_100000210238_100000747449 [0,1,0,0,0,0|2,0,1]=4 1016 B12R0.248 CCCCOCCOCC(=O)OC 7a_100000210227_100000090808 [0,1,0,0,0,0|2,0,1]=4 1017 B12R0.248 CCCCOCCOCC(=O)OC 7a_100000210238_100000747449 [0,1,0,0,0,0|2,0,1]=4 1018 B12R0.248 CCCCOCCSCC(=O)OC 62a_100000743108_100000747449 [0,1,0,0,0,0|2,0,1]=4 1019 B12R0.248 CCCCOCCSCC(=O)OC 62a_100000747449_100000743108 [0,1,0,0,0,0|2,0,1]=4 1020 B12R0.248 CCCCSCCCCC(=O)OC 62a_100000204269_100000210210 [0,1,0,0,0,0|1,0,2]=4 1021 B12R0.248 CCCCSCCCCC(=O)OC 62a_100000210211_100000204269 [0,1,0,0,0,0|1,0,2]=4 1022 B12R0.248 CCCCSCCNCC(=O)OC 2230a_100025743550_100000747449 [0,1,0,0,0,0|2,0,1]=4 1023 B12R0.248 CCCCSCCOCC(=O)OC 34a_200000230436_100000747449 [0,1,0,0,0,0|2,0,1]=4 1024 B12R0.248 CCCCSCCOCC(=O)OC 62a_100000090808_100000210210 [0,1,0,0,0,0|2,0,1]=4 1025 B12R0.248 CCCCSCCOCC(=O)OC 62a_100000210211_100000090808 [0,1,0,0,0,0|2,0,1]=4 1026 B12R0.248 CCCCSCCOCC(=O)OC 7a_200000230436_100000747449 [0,1,0,0,0,0|2,0,1]=4 1027 B12R0.248 CCCOCCCCCC(=O)OC 34a_100000074720_100000210303 [0,1,0,0,0,0|1,0,2]=4 1028 B12R0.248 CCCOCCCCCC(=O)OC 34a_100000210258_100009816466 [0,1,0,0,0,0|1,0,2]=4 1029 B12R0.248 CCCOCCCCCC(=O)OC 7a_100000074720_100000210303 [0,1,0,0,0,0|1,0,2]=4 1030 B12R0.248 CCCOCCCNCC(=O)OC 2230a_100011217757_100000747449 [0,1,0,0,0,0|2,0,1]=4 1031 B12R0.248 CCCOCCCNCC(=O)OC 34a_100011217757_100000747449 [0,1,0,0,0,0|2,0,1]=4 1032 B12R0.248 CCCSCCCCCC(=O)OC 62a_100000210303_100009816466 [0,1,0,0,0,0|1,0,2]=4 1033 B12R0.248 CCCSCCCCCC(=O)OC 62a_100009816466_100000210303 [0,1,0,0,0,0|1,0,2]=4 1034 B12R0.248 CCNCCCCCCC(=O)OC 2230a_100015525214_100009815986 [0,1,0,0,0,0|1,0,2]=4 1035 B12R0.248 CCOCCCCCCC(=O)OC 34a_100009863599_100000210202 [0,1,0,0,0,0|1,0,2]=4 1036 B12R0.248 CCOCCCCCCC(=O)OC 34a_100121572206_100009815986 [0,1,0,0,0,0|1,0,2]=4 1037 B12R0.248 CCOCCCCCCC(=O)OC 7a_100009863599_100000210202 [0,1,0,0,0,0|1,0,2]=4 1038 B12R0.248 CCOCCNC/C=C/C(=O)OC 2230a_102516460346_100000742655 [0,1,0,0,0,0|2,0,0]=3 1039 B12R0.248 CCOCCNC/C=C/C(=O)OC 34a_102516460346_100000742655 [0,1,0,0,0,0|2,0,0]=3 1040 B12R0.248 CCOCCOC/C=C/C(=O)OC 34a_100000210136_100000742655 [0,1,0,0,0,0|2,0,0]=3 1041 B12R0.248 CCOCCOC/C=C/C(=O)OC 7a_100000210136_100000742655 [0,1,0,0,0,0|2,0,0]=3 1042 B12R0.248 CCOCCSC/C=C/C(=O)OC 62a_100000210147_100000742655 [0,1,0,0,0,0|2,0,0]=3 1043 B12R0.248 CCOCCSC/C=C/C(=O)OC 62a_100000742655_100011215890 [0,1,0,0,0,0|2,0,0]=3 1044 B12R0.248 CCSCCCCCCC(=O)OC 62a_100000210202_100009815986 [0,1,0,0,0,0|1,0,2]=4 1045 B12R0.248 CCSCCCCCCC(=O)OC 62a_100009815986_100000210202 [0,1,0,0,0,0|1,0,2]=4 1046 B12R0.248 CCSCCNC/C=C/C(=O)OC 2230a_100000106463_100000742655 [0,1,0,0,0,0|2,0,0]=3 1047 B12R0.248 CCSCCOC/C=C/C(=O)OC 34a_100000212035_100000742655 [0,1,0,0,0,0|2,0,0]=3 1048 B12R0.248 CCSCCOC/C=C/C(=O)OC 7a_100000212035_100000742655 [0,1,0,0,0,0|2,0,0]=3 1049 B12R0.248 CCSCCSC/C=C/C(=O)OC 62a_100000742655_100000757381 [0,1,0,0,0,0|2,0,0]=3 1050 B12R0.248 CCSCCSC/C=C/C(=O)OC 62a_100000757381_100000742655 [0,1,0,0,0,0|2,0,0]=3 1051 B12R0.248 CNCCCCCCCC(=O)OC 2230a_106832991635_100010004213 [0,1,0,0,0,0|1,0,2]=4 1052 B12R0.248 CNCCCCCCCC(=O)OC 34a_100102657272_100010004213 [0,1,0,0,0,0|1,0,2]=4 1053 B12R0.248 CNCCCCCCCC(=O)OC 7a_106832991635_100010004213 [0,1,0,0,0,0|1,0,2]=4 1054 B12R0.248 CNCCCCCOCC(=O)OC 34a_100000722520_100000747449 [0,1,0,0,0,0|2,0,1]=4 1055 B12R0.248 CNCCCOC/C=C/C(=O)OC 34a_100000213112_100000742655 [0,1,0,0,0,0|2,0,0]=3 1056 B12R0.248 COC(=O)/C=C/CNCCCCO 2230a_100000750430_100000742655 [0,1,0,0,0,0|2,0,0]=3 1057 B12R0.248 COC(=O)/C=C/CNCCCCO 34a_100000750430_100000742655 [0,1,0,0,0,0|2,0,0]=3 1058 B12R0.248 COC(=O)/C=C/CNCCCSC 2230a_100000749238_100000742655 [0,1,0,0,0,0|2,0,0]=3 1059 B12R0.248 COC(=O)/C=C/COCCCCBr 34a_100011216708_100000742655 [0,1,0,0,0,0|2,0,0]=3 1060 B12R0.248 COC(=O)/C=C/COCCCCCl 34a_100000210776_100000742655 [0,1,0,0,0,0|2,0,0]=3 1061 B12R0.248 COC(=O)/C=C/COCCCCCl 7a_100000210776_100000742655 [0,1,0,0,0,0|2,0,0]=3 1062 B12R0.248 COC(=O)/C=C/COCCCCF 34a_100011995726_100000742655 [0,1,0,0,0,0|2,0,0]=3 1063 B12R0.248 COC(=O)/C=C/COCCCCF 7a_100011995726_100000742655 [0,1,0,0,0,0|2,0,0]=3 1064 B12R0.248 COC(=O)/C=C/COCCCCI 34a_200012148704_100000742655 [0,1,0,0,0,0|2,0,0]=3 1065 B12R0.248 COC(=O)/C=C/COCCCCN 34a_100000750430_100000742655 [0,1,0,0,0,0|2,0,0]=3 1066 B12R0.248 COC(=O)/C=C/COCCCSC 34a_100000690336_100000742655 [0,1,0,0,0,0|2,0,0]=3 1067 B12R0.248 COC(=O)/C=C/COCCCSC 7a_100000690336_100000742655 [0,1,0,0,0,0|2,0,0]=3 1068 B12R0.248 COC(=O)/C=C/CSCCCC#N 62a_100000687738_100000742655 [0,1,0,0,0,0|2,0,1]=4 1069 B12R0.248 COC(=O)/C=C/CSCCCC#N 62a_100000742655_100000687738 [0,1,0,0,0,0|2,0,1]=4 1070 B12R0.248 COC(=O)/C=C/CSCCCC=O 62a_100000742655_200011292268 [0,1,0,0,0,0|2,0,1]=4 1071 B12R0.248 COC(=O)/C=C/CSCCCC=O 62a_200011292268_100000742655 [0,1,0,0,0,0|2,0,1]=4 1072 B12R0.248 COC(=O)/C=C/CSCCCCF 62a_100000729493_100000742655 [0,1,0,0,0,0|2,0,0]=3 1073 B12R0.248 COC(=O)/C=C/CSCCCCF 62a_100000742655_100000729493 [0,1,0,0,0,0|2,0,0]=3 1074 B12R0.248 COC(=O)/C=C/CSCCCCO 62a_100000210776_100000742655 [0,1,0,0,0,0|2,0,0]=3 1075 B12R0.248 COC(=O)/C=C/CSCCCCO 62a_100000742655_100000210776 [0,1,0,0,0,0|2,0,0]=3 1076 B12R0.248 COC(=O)CCCCCCCO[13CH3] 34a_100011022521_200025704644 [0,1,0,0,0,0|1,0,2]=4 1077 B12R0.248 COC(=O)CCCCCCCO[13CH3] 7a_100011022521_200025704644 [0,1,0,0,0,0|1,0,2]=4 1078 B12R0.248 COC(=O)CCCCCCCSC 62a_100010004213_200000210301 [0,1,0,0,0,0|1,0,2]=4 1079 B12R0.248 COC(=O)CCCCCCCSC 62a_200000210301_100010004213 [0,1,0,0,0,0|1,0,2]=4 1080 B12R0.248 COC(=O)CCCCCCCS[13CH3] 62a_100010004213_200025704644 [0,1,0,0,0,0|1,0,2]=4 1081 B12R0.248 COC(=O)CCCCCCCS[13CH3] 62a_200025704644_100010004213 [0,1,0,0,0,0|1,0,2]=4 1082 B12R0.248 COC(=O)CNCCCCCCO 2230a_100000686447_100000747449 [0,1,0,0,0,0|2,0,1]=4 1083 B12R0.248 COC(=O)CNCCCCCCO 34a_100000686447_100000747449 [0,1,0,0,0,0|2,0,1]=4 1084 B12R0.248 COC(=O)COCCCCCCBr 34a_100011215345_100000747449 [0,1,0,0,0,0|2,0,1]=4 1085 B12R0.248 COC(=O)COCCCCCCBr 7a_100011215345_100000747449 [0,1,0,0,0,0|2,0,1]=4 1086 B12R0.248 COC(=O)COCCCCCCCl 34a_100000766143_100000747449 [0,1,0,0,0,0|2,0,1]=4 1087 B12R0.248 COC(=O)COCCCCCCCl 7a_100000766143_100000747449 [0,1,0,0,0,0|2,0,1]=4 1088 B12R0.248 COC(=O)COCCCCCCF 34a_100000732779_100000747449 [0,1,0,0,0,0|2,0,1]=4 1089 B12R0.248 COC(=O)COCCCCCCF 7a_100000732779_100000747449 [0,1,0,0,0,0|2,0,1]=4 1090 B12R0.248 COC(=O)COCCCCCCN 34a_100000686447_100000747449 [0,1,0,0,0,0|2,0,1]=4 1091 B12R0.248 COC(=O)CSCCCCCCF 62a_100000747449_100015922095 [0,1,0,0,0,0|2,0,1]=4 1092 B12R0.248 COC(=O)CSCCCCCCF 62a_100015922095_100000747449 [0,1,0,0,0,0|2,0,1]=4 1093 B12R0.248 COC(=O)CSCCCCCCO 62a_100000747449_100000766143 [0,1,0,0,0,0|2,0,1]=4 1094 B12R0.248 COC(=O)CSCCCCCCO 62a_100000766143_100000747449 [0,1,0,0,0,0|2,0,1]=4 1095 B12R0.248 COCCCCCCCC(=O)OC 34a_100011022521_200000210301 [0,1,0,0,0,0|1,0,2]=4 1096 B12R0.248 COCCCCCCCC(=O)OC 34a_100138415774_100010004213 [0,1,0,0,0,0|1,0,2]=4 1097 B12R0.248 COCCCCCCCC(=O)OC 7a_100011022521_200000210301 [0,1,0,0,0,0|1,0,2]=4 1098 B12R0.248 COCCCCCNCC(=O)OC 2230a_100000747528_100000747449 [0,1,0,0,0,0|2,0,1]=4 1099 B12R0.248 COCCCCCNCC(=O)OC 34a_100000747528_100000747449 [0,1,0,0,0,0|2,0,1]=4 1100 B12R0.248 COCCCNC/C=C/C(=O)OC 34a_100150723488_100000742655 [0,1,0,0,0,0|2,0,0]=3 1101 B12R0.248 COCCCOC/C=C/C(=O)OC 34a_100000740835_100000742655 [0,1,0,0,0,0|2,0,0]=3 1102 B12R0.248 COCCCSC/C=C/C(=O)OC 62a_100000709357_100000742655 [0,1,0,0,0,0|2,0,0]=3 1103 B12R0.248 COCCCSC/C=C/C(=O)OC 62a_100000742655_100000709357 [0,1,0,0,0,0|2,0,0]=3 1104 B12R0.248 O=C(CO)CCCCCCCCO 1458a_100000210174_100000033203 [0,1,0,0,0,0|1,0,2]=4 1105 B12R0.248 O=C(CO)NCCCCCCCO 240690a_100011996573_100000210174 [0,1,0,0,0,0|2,0,1]=4 1106 B12R0.251 C=C(Br)C(=O)NCCCCCCC 11a_100000229938_100009813364 [0,1,0,0,0,0|3,0,0]=4 1107 B12R0.251 C=C(Br)C(=O)NCCCCCCC 1626a_100000229938_100009813364 [0,1,0,0,0,0|3,0,0]=4 1108 B12R0.251 C=C(C)C(=O)CCCCCCCC 1458a_100000185857_100000210759 [0,1,0,0,0,0|2,0,1]=4 1109 B12R0.251 C=C(C)C(=O)NCCCCCCC 11a_100000229938_100000185857 [0,1,0,0,0,0|3,0,0]=4 1110 B12R0.251 C=C(C)C(=O)NCCCCCCC 1626a_100000229938_100000185857 [0,1,0,0,0,0|3,0,0]=4 1111 B12R0.251 C=C(Cl)C(=O)NCCCCCCC 11a_100000229938_100000039160 [0,1,0,0,0,0|3,0,0]=4 1112 B12R0.251 C=C(Cl)C(=O)NCCCCCCC 1626a_100000229938_100000039160 [0,1,0,0,0,0|3,0,0]=4 1113 B12R0.251 C=C(F)C(=O)NCCCCCCC 11a_100000229938_100000036797 [0,1,0,0,0,0|3,0,0]=4 1114 B12R0.251 C=C(F)C(=O)NCCCCCCC 1626a_100000229938_100000036797 [0,1,0,0,0,0|3,0,0]=4 1115 B12R0.251 CCCCCCCCC(=O)C(O)O 1458a_100000233687_100000210759 [0,1,0,0,0,0|0,0,3]=4 1116 B12R0.251 CCCCCCCCC(=O)[C@@H](C)O 1458a_100000717761_100000210759 [0,1,0,0,0,0|1,0,2]=4 1117 B12R0.251 CCCCCCCCC(=O)[C@H](C)O 1458a_217856618621_100000210759 [0,1,0,0,0,0|1,0,2]=4 1118 B12R0.251 CCCCCCCCC(O)C(=O)C 1458a_200011995895_200000210301 [0,1,0,0,0,0|1,0,2]=4 1119 B12R0.251 CCCCCCCCC(O)C(=O)[13CH3] 1458a_200011995895_200025704644 [0,1,0,0,0,0|1,0,2]=4 1120 B12R0.251 CCCCCCCCN(C)C(=O)C 11a_100000207567_100015343762 [0,1,0,0,0,0|2,0,1]=4 1121 B12R0.251 CCCCCCCCN(C)C(=O)C 1626a_100000207567_100015343762 [0,1,0,0,0,0|2,0,1]=4 1122 B12R0.251 CCCCCCCCN(C)C(=O)C 240690a_100000207567_100015343762 [0,1,0,0,0,0|2,0,1]=4 1123 B12R0.251 CCCCCCCCN(C)C(=O)C 527a_100000207567_100103153847 [0,1,0,0,0,0|2,0,1]=4 1124 B12R0.251 CCCCCCCNC(=O)C(=O)N 240690a_100000229938_100011215815 [0,1,0,0,0,0|2,0,0]=3 1125 B12R0.251 CCCCCCCNC(=O)C(O)O 240690a_100000229938_100000233687 [0,1,0,0,0,0|1,0,2]=4 1126 B12R0.251 CCCCCCCNC(=O)[C@@H](C)O 240690a_100000229938_100000717761 [0,1,0,0,0,0|2,0,1]=4 1127 B12R0.251 CCCCCCCNC(=O)[C@H](C)O 1626a_100000229938_217856618621 [0,1,0,0,0,0|2,0,1]=4 1128 B12R0.251 CCCCCCCNC(=O)[C@H](C)O 240690a_100000229938_217856618621 [0,1,0,0,0,0|2,0,1]=4 1129 B12R0.251 CCCCCCCNC(C)C(=O)C 2230a_100000229938_100009814033 [0,1,0,0,0,0|2,0,1]=4 1130 B12R0.251 CCCCCCCNC(C)C(=O)N 2230a_100000229938_100000702099 [0,1,0,0,0,0|2,0,1]=4 1131 B12R0.251 CCCCCCCNC(F)C(=O)N 2230a_100000229938_100009813875 [0,1,0,0,0,0|2,0,1]=4 1132 B12R0.251 CCCCCCCN[C@@H](C)C(=O)O 269956a_100000743915_100000210614 [0,1,0,0,0,0|1,0,1]=3 1133 B12R0.251 CCCCCCCN[C@H](C)C(=O)N 2230a_100000119354_100000210681 [0,1,0,0,0,0|2,0,1]=4 1134 B12R0.251 CCCCCCCN[C@H](C)C(=O)N 34a_100000119354_100000210614 [0,1,0,0,0,0|2,0,1]=4 1135 B12R0.251 CCCCCCCOC(C)C(=O)C 34a_100000212229_100000210614 [0,1,0,0,0,0|2,0,1]=4 1136 B12R0.251 CCCCCCCOC(C)C(=O)C 7a_100000210272_100000179758 [0,1,0,0,0,0|2,0,1]=4 1137 B12R0.251 CCCCCCCOC(C)C(=O)N 34a_100000210272_100000702099 [0,1,0,0,0,0|2,0,1]=4 1138 B12R0.251 CCCCCCCOC(C)C(=O)N 7a_100000210272_100000702099 [0,1,0,0,0,0|2,0,1]=4 1139 B12R0.251 CCCCCCCOC(F)C(=O)N 34a_100000210272_100009813875 [0,1,0,0,0,0|2,0,1]=4 1140 B12R0.251 CCCCCCCOC(F)C(=O)N 7a_100000210272_100009813875 [0,1,0,0,0,0|2,0,1]=4 1141 B12R0.251 CCCCCCCOC(F)C(=O)[O-] 34a_100000210272_100020610796 [0,1,0,0,0,0|1,0,2]=4 1142 B12R0.251 CCCCCCCO[C@@H](C)C(=O)[O-] 7a_217856618621_100000210614 [0,1,0,0,0,0|1,0,2]=4 1143 B12R0.251 CCCCCCCO[C@H](C)C(=O)N 34a_100000731257_100000210614 [0,1,0,0,0,0|2,0,1]=4 1144 B12R0.251 CCCCCCCO[C@H](C)C(=O)N 7a_100000731257_100000210614 [0,1,0,0,0,0|2,0,1]=4 1145 B12R0.251 CCCCCCCSC(C)C(=O)C 62a_100000210614_100009814033 [0,1,0,0,0,0|2,0,1]=4 1146 B12R0.251 CCCCCCCSC(C)C(=O)C 62a_100009814033_100000210316 [0,1,0,0,0,0|2,0,1]=4 1147 B12R0.251 CCCCCCCSC(C)C(=O)N 62a_100000210614_100000702099 [0,1,0,0,0,0|2,0,1]=4 1148 B12R0.251 CCCCCCCSC(C)C(=O)N 62a_100000702099_100000210316 [0,1,0,0,0,0|2,0,1]=4 1149 B12R0.251 CCCCCCCSC(F)C(=O)N 62a_100000210614_100009813875 [0,1,0,0,0,0|2,0,1]=4 1150 B12R0.251 CCCCCCCSC(F)C(=O)N 62a_100009813875_100000210316 [0,1,0,0,0,0|2,0,1]=4 1151 B12R0.251 CCCCCCCSC(F)C(=O)[O-] 62a_100000210614_100020610796 [0,1,0,0,0,0|1,0,2]=4 1152 B12R0.251 CCCCCCCSC(F)C(=O)[O-] 62a_100020610796_100000210316 [0,1,0,0,0,0|1,0,2]=4 1153 B12R0.251 CCCCCCNCC(C)C(=O)O 269956a_100000749485_100000210757 [0,1,0,0,0,0|1,0,2]=4 1154 B12R0.251 CCCCCCNCC(F)C(=O)O 269956a_100000084737_100000210757 [0,1,0,0,0,0|1,0,2]=4 1155 B12R0.251 CCCCCCOCC(=O)C(=O)C 34a_100000210259_100011261029 [0,1,0,0,0,0|2,0,1]=4 1156 B12R0.251 CCCCCCSCC(=O)C(=O)C 62a_100000210314_100011261029 [0,1,0,0,0,0|2,0,1]=4 1157 B12R0.251 CCCCCCSCC(=O)C(=O)C 62a_100011261029_100000210757 [0,1,0,0,0,0|2,0,1]=4 1158 B12R0.251 CCCCOCCN[C@@H](C)C(=O)O 269956a_100000743915_100000743108 [0,1,0,0,0,0|2,0,1]=4 1159 B12R0.251 CCCCSCCNC(=O)C(=O)N 240690a_100025743550_100011215815 [0,1,0,0,0,0|3,0,0]=4 1160 B12R0.251 CCCOCCCNC(=O)C(=O)N 240690a_100011217757_100011215815 [0,1,0,0,0,0|3,0,0]=4 1161 B12R0.251 COCCCCCNC(=O)C(=O)N 240690a_100000747528_100011215815 [0,1,0,0,0,0|3,0,0]=4 1162 B12R0.251 C[C@H](NCCCCCCF)C(=O)O 269956a_100000743915_100015922095 [0,1,0,0,0,0|2,0,1]=4 1163 B12R0.251 C[C@H](NCCCCCCO)C(=O)O 269956a_100000743915_100000766143 [0,1,0,0,0,0|2,0,1]=4 1164 B12R0.251 NC(=O)C(=O)NCCCCCCO 240690a_100000686447_100011215815 [0,1,0,0,0,0|3,0,0]=4 1165 B12R0.255 CCCCCCC(C)NCC(=O)N 2230a_100000210919_100000747473 [0,1,0,0,0,0|2,0,1]=4 1166 B12R0.255 CCCCCCC(C)NCC(=O)N 2230a_100000711301_100011215978 [0,1,0,0,0,0|2,0,1]=4 1167 B12R0.255 CCCCCCC(C)NCC(=O)N 34a_100000210919_100000187820 [0,1,0,0,0,0|2,0,1]=4 1168 B12R0.255 CCCCCCC(C)NCC(=O)O 269956a_100016091260_100011215978 [0,1,0,0,0,0|1,0,1]=3 1169 B12R0.255 CCCCCCC(C)NCC(=O)[O-] 34a_100000210919_100020667443 [0,1,0,0,0,0|1,0,2]=4 1170 B12R0.255 CCCCCCC(C)OCC(=O)C 34a_100000211253_100011215978 [0,1,0,0,0,0|2,0,1]=4 1171 B12R0.255 CCCCCCC(C)OCC(=O)N 34a_100000210265_100000187820 [0,1,0,0,0,0|2,0,1]=4 1172 B12R0.255 CCCCCCC(C)OCC(=O)N 7a_100000210265_100000187820 [0,1,0,0,0,0|2,0,1]=4 1173 B12R0.255 CCCCCCC(C)OCC(=O)[O-] 34a_100000210265_100020667443 [0,1,0,0,0,0|1,0,2]=4 1174 B12R0.255 CCCCCCC(C)SCC(=O)N 62a_100000747473_100011215978 [0,1,0,0,0,0|2,0,1]=4 1175 B12R0.255 CCCCCCC(C)SCC(=O)N 62a_100011215978_100000747473 [0,1,0,0,0,0|2,0,1]=4 1176 B12R0.255 CCCCCCC(C)SCC(=O)[O-] 62a_100011215978_100020667443 [0,1,0,0,0,0|1,0,2]=4 1177 B12R0.255 CCCCCCC(C)SCC(=O)[O-] 62a_100020667443_100011215978 [0,1,0,0,0,0|1,0,2]=4 1178 B12R0.268 CC(=O)COCCCCCC(C)C 34a_100000211253_100000210682 [0,1,0,0,0,0|2,0,1]=4 1179 B12R0.268 CC(=O)NCCCCCCC(C)C 11a_100000211014_100015343762 [0,1,0,0,0,0|2,0,1]=4 1180 B12R0.268 CC(=O)NCCCCCCC(C)C 1626a_100000211014_100015343762 [0,1,0,0,0,0|2,0,1]=4 1181 B12R0.268 CC(=O)NCCCCCCC(C)C 240690a_100000211014_100015343762 [0,1,0,0,0,0|2,0,1]=4 1182 B12R0.268 CC(=O)NCCCCCCC(C)C 527a_100000211014_100103153847 [0,1,0,0,0,0|2,0,1]=4 1183 B12R0.268 CC(Br)COCCC/C=C/B(O)O 34a_100012180447_200016261450 [0,1,0,0,0,0|2,0,1]=4 1184 B12R0.268 CC(C)CCCCCNCC(=O)N 2230a_100000711301_100000210682 [0,1,0,0,0,0|2,0,1]=4 1185 B12R0.268 CC(C)CCCCCNCC(=O)N 2230a_100011290863_100000747473 [0,1,0,0,0,0|2,0,1]=4 1186 B12R0.268 CC(C)CCCCCNCC(=O)N 34a_100011290863_100000187820 [0,1,0,0,0,0|2,0,1]=4 1187 B12R0.268 CC(C)CCCCCNCC(=O)O 269956a_100016091260_100000210682 [0,1,0,0,0,0|1,0,1]=3 1188 B12R0.268 CC(C)CCCCCNCC(=O)[O-] 34a_100011290863_100020667443 [0,1,0,0,0,0|1,0,2]=4 1189 B12R0.268 CC(C)CCCCCOCC(=O)N 34a_100011995859_100000187820 [0,1,0,0,0,0|2,0,1]=4 1190 B12R0.268 CC(C)CCCCCOCC(=O)N 7a_100011995859_100000187820 [0,1,0,0,0,0|2,0,1]=4 1191 B12R0.268 CC(C)CCCCCOCC(=O)[O-] 34a_100011995859_100020667443 [0,1,0,0,0,0|1,0,2]=4 1192 B12R0.268 CC(C)CCCCCSCC(=O)N 62a_100000210682_100000747473 [0,1,0,0,0,0|2,0,1]=4 1193 B12R0.268 CC(C)CCCCCSCC(=O)N 62a_100000747473_100000210682 [0,1,0,0,0,0|2,0,1]=4 1194 B12R0.268 CC(C)CCCCCSCC(=O)[O-] 62a_100000210682_100020667443 [0,1,0,0,0,0|1,0,2]=4 1195 B12R0.268 CC(C)CCCCCSCC(=O)[O-] 62a_100020667443_100000210682 [0,1,0,0,0,0|1,0,2]=4 1196 B12R0.268 CC(C)CCCCNOCC(=O)O 269956a_100000106656_100011216152 [0,1,0,0,0,0|2,0,1]=4 1197 B12R0.268 CC(C)CCCNC/C=C/B(O)O 2230a_200000737386_100016262062 [0,1,0,0,0,0|2,0,1]=4 1198 B12R0.268 CC(C)CCCNC/C=C/B(O)O 34a_200000737386_100016262062 [0,1,0,0,0,0|2,0,1]=4 1199 B12R0.268 CC(C)CCCOC/C=C/B(O)O 34a_100000210774_100016262062 [0,1,0,0,0,0|2,0,1]=4 1200 B12R0.268 CC(C)CCCOC/C=C/B(O)O 7a_100000210774_100016262062 [0,1,0,0,0,0|2,0,1]=4 1201 B12R0.268 CC(C)CCCSC/C=C/B(O)O 62a_100011214892_100016262062 [0,1,0,0,0,0|2,0,1]=4 1202 B12R0.268 CC(C)CCCSC/C=C/B(O)O 62a_100016262062_100011214892 [0,1,0,0,0,0|2,0,1]=4 1203 B12R0.268 CC(C)CCNCCOCC(=O)O 269956a_100000700818_100000210312 [0,1,0,0,0,0|2,0,1]=4 1204 B12R0.268 CC(C)CNCCC/C=C/B(O)O 2230a_100000210953_200016261450 [0,1,0,0,0,0|2,0,1]=4 1205 B12R0.268 CC(C)CNCCC/C=C/B(O)O 34a_100000210953_200016261450 [0,1,0,0,0,0|2,0,1]=4 1206 B12R0.268 CC(C)COCCC/C=C/B(O)O 34a_100000210257_200016261450 [0,1,0,0,0,0|2,0,1]=4 1207 B12R0.268 CC(C)CSCCC/C=C/B(O)O 62a_100000210624_200016261450 [0,1,0,0,0,0|2,0,1]=4 1208 B12R0.268 CC(C)CSCCC/C=C/B(O)O 62a_200016261450_100000210760 [0,1,0,0,0,0|2,0,1]=4 1209 B12R0.268 CC(F)COCCC/C=C/B(O)O 34a_100015925927_200016261450 [0,1,0,0,0,0|2,0,1]=4 1210 B12R0.268 CC(O)CCCSC/C=C/B(O)O 62a_100016262062_200000718107 [0,1,0,0,0,0|2,0,1]=4 1211 B12R0.268 CC(O)CCCSC/C=C/B(O)O 62a_200000718107_100016262062 [0,1,0,0,0,0|2,0,1]=4 1212 B12R0.268 CC(O)CCNCCOCC(=O)O 269956a_100000700818_100012276601 [0,1,0,0,0,0|2,0,1]=4 1213 B12R0.268 CC(O)CNCCC/C=C/B(O)O 2230a_100000210904_200016261450 [0,1,0,0,0,0|2,0,1]=4 1214 B12R0.268 CC(O)CNCCC/C=C/B(O)O 34a_100000210904_200016261450 [0,1,0,0,0,0|2,0,1]=4 1215 B12R0.268 CC(O)CSCCC/C=C/B(O)O 62a_100011218427_200016261450 [0,1,0,0,0,0|2,0,1]=4 1216 B12R0.268 CC(O)CSCCC/C=C/B(O)O 62a_200016261450_100011218427 [0,1,0,0,0,0|2,0,1]=4 1217 B12R0.268 C[C@@H](Cl)COCCC/C=C/B(O)O 34a_100016084084_200016261450 [0,1,0,0,0,0|2,0,1]=4 1218 B12R0.268 C[C@@H](N)COCCC/C=C/B(O)O 34a_100000737577_200016261450 [0,1,0,0,0,0|2,0,1]=4 1219 B12R0.268 C[C@@H](O)CSCCC/C=C/B(O)O 62a_100009817552_200016261450 [0,1,0,0,0,0|2,0,1]=4 1220 B12R0.268 C[C@@H](O)CSCCC/C=C/B(O)O 62a_200016261450_100009817552 [0,1,0,0,0,0|2,0,1]=4 1221 B12R0.277 CCCC(C)CCCOCC(=O)N 34a_100011713154_100000187820 [0,1,0,0,0,0|2,0,1]=4 1222 B12R0.277 CCCC(C)CCCOCC(=O)N 7a_100011713154_100000187820 [0,1,0,0,0,0|2,0,1]=4 1223 B12R0.277 CCCC(C)CCCOCC(=O)[O-] 34a_100011713154_100020667443 [0,1,0,0,0,0|1,0,2]=4 1224 B12R0.277 CCCC(C)COC/C=C/B(O)O 34a_100000688023_100016262062 [0,1,0,0,0,0|2,0,1]=4 1225 B12R0.277 CCCC(C)COC/C=C/B(O)O 7a_100000688023_100016262062 [0,1,0,0,0,0|2,0,1]=4 1226 B12R0.277 CCCC(C)CSC/C=C/B(O)O 62a_100011216630_100016262062 [0,1,0,0,0,0|2,0,1]=4 1227 B12R0.277 CCCC(C)CSC/C=C/B(O)O 62a_100016262062_100011216630 [0,1,0,0,0,0|2,0,1]=4 1228 B12R0.277 CCCC(C)NCCOCC(=O)O 269956a_100000700818_100000766640 [0,1,0,0,0,0|2,0,1]=4 1229 B12R0.277 CCCN(C)CCC/C=C/B(O)O 2230a_100000747261_200016261450 [0,1,0,0,0,0|2,0,1]=4 1230 B12R0.277 CCCN(C)CCC/C=C/B(O)O 269982a_100000747261_200016261450 [0,1,0,0,0,0|2,0,1]=4 1231 B12R0.277 CCC[C@H](N)COC/C=C/B(O)O 34a_100000732646_100016262062 [0,1,0,0,0,0|2,0,1]=4 1232 B12R1.7 CCCCCCc1ccc(s1)O 271570a_203496583355_100009817186 [0,0,0,1,0,0|0,1,1]=3 1233 B12R1.7 CCCCCOC1COC(=O)O1 34a_100000210253_100000032252 [0,0,0,1,0,0|2,0,1]=4 1234 B12R1.7 CCCCCSC1COC(=O)O1 62a_100000210326_100000032252 [0,0,0,1,0,0|2,0,1]=4 1235 B12R1.7 CCCCNCC1CNC(=O)O1 2230a_100000102301_100000181169 [0,0,0,1,0,0|2,0,1]=4 1236 B12R1.7 CCCCNCC1CNC(=O)O1 7a_106832991798_100000181169 [0,0,0,1,0,0|2,0,1]=4 1237 B12R1.7 CCCCNCc1ccc(o1)Br 207a_100000102301_100000185145 [0,0,0,1,0,0|2,0,1]=4 1238 B12R1.7 CCCCNCc1ccc(o1)Br 270004a_100000102301_100000185145 [0,0,0,1,0,0|2,0,1]=4 1239 B12R1.7 CCCCNCc1ccc(o1)Br 34a_100000708654_100000210210 [0,0,0,1,0,0|2,0,1]=4 1240 B12R1.7 CCCCNCc1ccc(o1)C 207a_100000102301_100000183696 [0,0,0,1,0,0|2,0,1]=4 1241 B12R1.7 CCCCNCc1ccc(o1)C 270004a_100000102301_100000183696 [0,0,0,1,0,0|2,0,1]=4 1242 B12R1.7 CCCCNCc1ccc(o1)C 34a_100011194323_100000210210 [0,0,0,1,0,0|2,0,1]=4 1243 B12R1.7 CCCCNCc1ccc(o1)Cl 207a_100000102301_100000188459 [0,0,0,1,0,0|2,0,1]=4 1244 B12R1.7 CCCCNCc1ccc(o1)Cl 270004a_100000102301_100000188459 [0,0,0,1,0,0|2,0,1]=4 1245 B12R1.7 CCCCNCc1ccc(o1)I 207a_100000102301_100000186757 [0,0,0,1,0,0|2,0,1]=4 1246 B12R1.7 CCCCOCC1CNC(=O)O1 34a_100000210227_100000181169 [0,0,0,1,0,0|2,0,1]=4 1247 B12R1.7 CCCCOCC1CNC(=O)O1 34a_100011315639_100000210210 [0,0,0,1,0,0|2,0,1]=4 1248 B12R1.7 CCCCOCC1CNC(=O)O1 7a_100000210227_100000181169 [0,0,0,1,0,0|2,0,1]=4 1249 B12R1.7 CCCCOCC1COC(=O)O1 34a_100000210227_100000073702 [0,0,0,1,0,0|2,0,1]=4 1250 B12R1.7 CCCCOCc1ccc(o1)Br 34a_100000246276_100000210210 [0,0,0,1,0,0|2,0,1]=4 1251 B12R1.7 CCCCOCc1ccc(o1)Br 7a_100000246276_100000210211 [0,0,0,1,0,0|2,0,1]=4 1252 B12R1.7 CCCCOCc1ccc(o1)C 34a_100011232665_100000210210 [0,0,0,1,0,0|2,0,1]=4 1253 B12R1.7 CCCCOCc1ccc(o1)C 7a_100011232665_100000210211 [0,0,0,1,0,0|2,0,1]=4 1254 B12R1.7 CCCCSCC1CNC(=O)O1 62a_100000181169_100000210210 [0,0,0,1,0,0|2,0,1]=4 1255 B12R1.7 CCCCSCC1CNC(=O)O1 62a_100000210211_100000181169 [0,0,0,1,0,0|2,0,1]=4 1256 B12R1.7 CCCCSCC1COC(=O)O1 62a_100000073702_100000210210 [0,0,0,1,0,0|2,0,1]=4 1257 B12R1.7 CCCCSCC1COC(=O)O1 62a_100000210211_100000073702 [0,0,0,1,0,0|2,0,1]=4 1258 B12R1.7 CCCNCCc1ccc(o1)C 2230a_100000739271_100000210303 [0,0,0,1,0,0|2,0,1]=4 1259 B12R1.7 CCCNCCc1ccc(o1)C 34a_100000739271_100000210303 [0,0,0,1,0,0|2,0,1]=4 1260 B12R1.7 CCCOCCc1ccc(o1)C 34a_100012161071_100000210303 [0,0,0,1,0,0|2,0,1]=4 1261 B12R1.7 CCCOCCc1ccc(o1)C 7a_100012161071_100000210303 [0,0,0,1,0,0|2,0,1]=4 1262 B12R1.75 CCC1CCCCN1CC(=O)N 2230a_100000210034_100000747473 [0,0,0,1,0,0|2,0,1]=4 1263 B12R1.75 CCC1CCCCN1CC(=O)N 269982a_100000210034_100000187820 [0,0,0,1,0,0|2,0,1]=4 1264 B12R1.75 CCC1CCCCN1CC(=O)N 34a_100000210034_100000187820 [0,0,0,1,0,0|2,0,1]=4 1265 B12R1.75 CCC1CCCCN1CC(=O)[O-] 269982a_100000210034_100020667443 [0,0,0,1,0,0|1,0,2]=4 1266 B12R1.75 CCC1CCCCN1CC(=O)[O-] 34a_100000210034_100020667443 [0,0,0,1,0,0|1,0,2]=4 1267 B12R1.125 CC(=O)COC1CCCCC1C 1458a_100011223357_200000210301 [0,0,0,1,0,0|2,0,1]=4 1268 B12R1.125 CC1CCCCC1NCC(=O)N 2230a_100000211402_100000747473 [0,0,0,1,0,0|2,0,1]=4 1269 B12R1.125 CC1CCCCC1NCC(=O)N 34a_100000211402_100000187820 [0,0,0,1,0,0|2,0,1]=4 1270 B12R1.125 CC1CCCCC1NCC(=O)[O-] 34a_100000211402_100020667443 [0,0,0,1,0,0|1,0,2]=4 1271 B12R1.125 CC1CCCCC1OCC(=O)N 34a_100000211207_100000187820 [0,0,0,1,0,0|2,0,1]=4 1272 B12R1.125 CC1CCCCC1OCC(=O)N 7a_100000211207_100000187820 [0,0,0,1,0,0|2,0,1]=4 1273 B12R1.125 CC1CCCCC1OCC(=O)[13CH3] 1458a_100011223357_200025704644 [0,0,0,1,0,0|2,0,1]=4 1274 B12R1.125 CC1CCCCC1OCC(=O)[O-] 34a_100000211207_100020667443 [0,0,0,1,0,0|1,0,2]=4 1275 B12R1.125 CN1CCCCC1CCC(=O)O 269956a_100000694054_200000210301 [0,0,0,1,0,0|1,0,2]=4 1276 B12R1.125 O=C(O)CNC1CCCCC1F 269956a_100016091260_100015423560 [0,0,0,1,0,0|2,0,1]=4 1277 B12R1.125 O=C(O)CNC1CCCCC1O 269956a_100016091260_100000038908 [0,0,0,1,0,0|2,0,1]=4 1278 B12R1.125 [13CH3]N1CCCCC1CCC(=O)O 269956a_100000694054_200025704644 [0,0,0,1,0,0|1,0,2]=4 1279 B12R1.130 C[C@@H]1CCCN1C/C=C/B(O)O 2230a_100015189458_100016262062 [0,0,0,1,0,0|2,0,1]=4 1280 B12R1.130 C[C@@H]1CCCN1C/C=C/B(O)O 269982a_100015189458_100016262062 [0,0,0,1,0,0|2,0,1]=4 1281 B12R1.130 C[C@@H]1CCCN1C/C=C/B(O)O 34a_100015189458_100016262062 [0,0,0,1,0,0|2,0,1]=4 1282 B12R1.130 C[C@H]1CCCN1C/C=C/B(O)O 2230a_100020605311_100016262062 [0,0,0,1,0,0|2,0,1]=4 1283 B12R1.130 C[C@H]1CCCN1C/C=C/B(O)O 269982a_100020605311_100016262062 [0,0,0,1,0,0|2,0,1]=4 1284 B12R1.143 CC1CC1COC/C=C/B(O)O 34a_100000744939_100016262062 [0,0,0,1,0,0|2,0,1]=4 1285 B12R1.143 CC1CC1COC/C=C/B(O)O 7a_100000744939_100016262062 [0,0,0,1,0,0|2,0,1]=4 1286 B12R1.252 CC(=O)C=CCN1CCCCC1 1458a_100015232380_200000210301 [0,0,0,1,0,0|2,0,0]=3 1287 B12R1.252 CC(=O)C=CCN1CCOCC1 1458a_100134615786_200000210301 [0,0,0,1,0,0|3,0,0]=4 1288 B12R1.252 CC(=O)CCCC1CCCCC1 1458a_100000070787_100011713725 [0,0,0,1,0,0|1,0,2]=4 1289 B12R1.252 CC(=O)CCCC1CCCCC1 1458a_100000211478_200000210301 [0,0,0,1,0,0|1,0,2]=4 1290 B12R1.252 CC(=O)COCC1CCCCC1 34a_100000211253_100000211423 [0,0,0,1,0,0|2,0,1]=4 1291 B12R1.252 CC(=O)NCCC1CCCCC1 11a_100000738074_100015343762 [0,0,0,1,0,0|2,0,1]=4 1292 B12R1.252 CC(=O)NCCC1CCCCC1 1626a_100000738074_100015343762 [0,0,0,1,0,0|2,0,1]=4 1293 B12R1.252 CC(=O)NCCC1CCCCC1 240690a_100000738074_100015343762 [0,0,0,1,0,0|2,0,1]=4 1294 B12R1.252 CC(=O)NCCC1CCCCC1 527a_100000738074_100103153847 [0,0,0,1,0,0|2,0,1]=4 1295 B12R1.252 CC(=O)NNCC1CCCCC1 22a_100000740227_100000070787 [0,0,0,1,0,0|3,0,0]=4 1296 B12R1.252 NC(=O)CNCC1CCCCC1 2230a_100000210473_100000747473 [0,0,0,1,0,0|2,0,1]=4 1297 B12R1.252 NC(=O)CNCC1CCCCC1 2230a_100000711301_100000211423 [0,0,0,1,0,0|2,0,1]=4 1298 B12R1.252 NC(=O)CNCC1CCCCC1 34a_100000210473_100000187820 [0,0,0,1,0,0|2,0,1]=4 1299 B12R1.252 NC(=O)COCC1CCCCC1 34a_100000212181_100000187820 [0,0,0,1,0,0|2,0,1]=4 1300 B12R1.252 NC(=O)COCC1CCCCC1 7a_100000212181_100000187820 [0,0,0,1,0,0|2,0,1]=4 1301 B12R1.252 NC(=O)CSCC1CCCCC1 62a_100000211423_100000747473 [0,0,0,1,0,0|2,0,1]=4 1302 B12R1.252 NC(=O)CSCC1CCCCC1 62a_100000747473_100000211423 [0,0,0,1,0,0|2,0,1]=4 1303 B12R1.252 O=C(O)CNCC1CCCCC1 269956a_100016091260_100000211423 [0,0,0,1,0,0|1,0,1]=3 1304 B12R1.252 O=C(O)CNCC1CCCCO1 269956a_100016091260_100000211543 [0,0,0,1,0,0|2,0,1]=4 1305 B12R1.252 O=C(O)CNCC1CCCOC1 269956a_100016091260_100000741521 [0,0,0,1,0,0|2,0,1]=4 1306 B12R1.252 O=C(O)CNCC1CCOCC1 269956a_100016091260_100000754603 [0,0,0,1,0,0|2,0,1]=4 1307 B12R1.252 O=C(O)CONC1CCCCC1 269956a_100000106656_100000210327 [0,0,0,1,0,0|2,0,1]=4 1308 B12R1.252 O=C([O-])CNCC1CCCCC1 34a_100000210473_100020667443 [0,0,0,1,0,0|1,0,2]=4 1309 B12R1.252 O=C([O-])COCC1CCCCC1 34a_100000212181_100020667443 [0,0,0,1,0,0|1,0,2]=4 1310 B12R1.252 O=C([O-])CSCC1CCCCC1 62a_100000211423_100020667443 [0,0,0,1,0,0|1,0,2]=4 1311 B12R1.252 O=C([O-])CSCC1CCCCC1 62a_100020667443_100000211423 [0,0,0,1,0,0|1,0,2]=4 1312 B12R1.252 [13CH3]C(=O)C=CCN1CCCCC1 1458a_100015232380_200025704644 [0,0,0,1,0,0|2,0,0]=3 1313 B12R1.252 [13CH3]C(=O)C=CCN1CCOCC1 1458a_100134615786_200025704644 [0,0,0,1,0,0|3,0,0]=4 1314 B12R1.252 [13CH3]C(=O)CCCC1CCCCC1 1458a_100000211478_200025704644 [0,0,0,1,0,0|1,0,2]=4 1315 B12R1.255 CC(=O)COCCC1CCCC1 34a_100000211253_100000760354 [0,0,0,1,0,0|2,0,1]=4 1316 B12R1.255 CC(=O)NCCCC1CCCC1 11a_100000736752_100015343762 [0,0,0,1,0,0|2,0,1]=4 1317 B12R1.255 CC(=O)NCCCC1CCCC1 1626a_100000736752_100015343762 [0,0,0,1,0,0|2,0,1]=4 1318 B12R1.255 CC(=O)NCCCC1CCCC1 240690a_100000736752_100015343762 [0,0,0,1,0,0|2,0,1]=4 1319 B12R1.255 CC(=O)NCCCC1CCCC1 527a_100000736752_100103153847 [0,0,0,1,0,0|2,0,1]=4 1320 B12R1.255 NC(=O)CNCCC1CCCC1 2230a_100000711301_100000760354 [0,0,0,1,0,0|2,0,1]=4 1321 B12R1.255 NC(=O)CNCCC1CCCC1 2230a_100000739158_100000747473 [0,0,0,1,0,0|2,0,1]=4 1322 B12R1.255 NC(=O)CNCCC1CCCC1 34a_100000739158_100000187820 [0,0,0,1,0,0|2,0,1]=4 1323 B12R1.255 NC(=O)COCCC1CCCC1 34a_100000749090_100000187820 [0,0,0,1,0,0|2,0,1]=4 1324 B12R1.255 NC(=O)COCCC1CCCC1 7a_100000749090_100000187820 [0,0,0,1,0,0|2,0,1]=4 1325 B12R1.255 NC(=O)CSCCC1CCCC1 62a_100000747473_100000760354 [0,0,0,1,0,0|2,0,1]=4 1326 B12R1.255 NC(=O)CSCCC1CCCC1 62a_100000760354_100000747473 [0,0,0,1,0,0|2,0,1]=4 1327 B12R1.255 O=C(O)CNCCC1CCCC1 269956a_100016091260_100000760354 [0,0,0,1,0,0|1,0,1]=3 1328 B12R1.255 O=C(O)CNCCN1CCCC1 269956a_100016091260_100000004467 [0,0,0,1,0,0|2,0,1]=4 1329 B12R1.255 O=C(O)CONCC1CCCC1 269956a_100000106656_100000740388 [0,0,0,1,0,0|2,0,1]=4 1330 B12R1.255 O=C([O-])CNCCC1CCCC1 34a_100000739158_100020667443 [0,0,0,1,0,0|1,0,2]=4 1331 B12R1.255 O=C([O-])COCCC1CCCC1 34a_100000749090_100020667443 [0,0,0,1,0,0|1,0,2]=4 1332 B12R1.255 O=C([O-])CSCCC1CCCC1 62a_100000760354_100020667443 [0,0,0,1,0,0|1,0,2]=4 1333 B12R1.255 O=C([O-])CSCCC1CCCC1 62a_100020667443_100000760354 [0,0,0,1,0,0|1,0,2]=4 1334 B12R1.255 OB(O)/C=C/CNC1CCCC1 2230a_100000211070_100016262062 [0,0,0,1,0,0|2,0,1]=4 1335 B12R1.255 OB(O)/C=C/CNC1CCCC1 34a_100000211070_100016262062 [0,0,0,1,0,0|2,0,1]=4 1336 B12R1.255 OB(O)/C=C/COC1CCCC1 34a_100000210269_100016262062 [0,0,0,1,0,0|2,0,1]=4 1337 B12R1.255 OB(O)/C=C/COC1CCCC1 7a_100000210269_100016262062 [0,0,0,1,0,0|2,0,1]=4 1338 B12R1.255 OB(O)/C=C/CSC1CCCC1 62a_100011217020_100016262062 [0,0,0,1,0,0|2,0,1]=4 1339 B12R1.255 OB(O)/C=C/CSC1CCCC1 62a_100016262062_100000179811 [0,0,0,1,0,0|2,0,1]=4 1340 B12R1.257 O=C(O)COCCNC1CCC1 269956a_100000700818_100000749161 [0,0,0,1,0,0|2,0,1]=4 1341 B12R1.257 OB(O)/C=C/CCCN1CCC1 269982a_100000754969_200016261450 [0,0,0,1,0,0|2,0,1]=4 1342 B12R1.257 OB(O)/C=C/CNCC1CCC1 2230a_100000738700_100016262062 [0,0,0,1,0,0|2,0,1]=4 1343 B12R1.257 OB(O)/C=C/CNCC1CCC1 34a_100000738700_100016262062 [0,0,0,1,0,0|2,0,1]=4 1344 B12R1.257 OB(O)/C=C/COCC1CCC1 34a_100000760304_100016262062 [0,0,0,1,0,0|2,0,1]=4 1345 B12R1.257 OB(O)/C=C/CSCC1CCC1 62a_100000763275_100016262062 [0,0,0,1,0,0|2,0,1]=4 1346 B12R1.257 OB(O)/C=C/CSCC1CCC1 62a_100016262062_100000763275 [0,0,0,1,0,0|2,0,1]=4 1347 B12R1.283 CCCC1CCCCN1C(=O)C 11a_100000701414_100015343762 [0,0,0,1,0,0|2,0,1]=4 1348 B12R1.283 CCCC1CCCCN1C(=O)C 1626a_100000701414_100015343762 [0,0,0,1,0,0|2,0,1]=4 1349 B12R1.283 CCCC1CCCCN1C(=O)C 240690a_100000701414_100015343762 [0,0,0,1,0,0|2,0,1]=4 1350 B12R1.283 CCCC1CCCCN1C(=O)C 527a_100000701414_100103153847 [0,0,0,1,0,0|2,0,1]=4 1351 B12R1.283 CCCN1CCCC[C@@H]1C(=O)O 269956a_100000763471_100000210207 [0,0,0,1,0,0|1,0,2]=4 1352 B12R1.283 CCN[C@@H]1CCCC[C@H]1C(=O)O 269956a_100009816435_100000210202 [0,0,0,1,0,0|1,0,2]=4 1353 B12R1.386 CCCCN1CC=C[C@H]1C(=O)O 269956a_100000057196_100000210211 [0,0,0,1,0,0|1,0,2]=4 1354 B12R1.386 CCCCN1CCC[C@H]1C(=O)O 269956a_100000743916_100000210211 [0,0,0,1,0,0|1,0,2]=4 1355 B12R1.386 CCCCN1CCSC1C(=O)O 269956a_100000035718_100000210211 [0,0,0,1,0,0|2,0,1]=4 1356 B12R1.390 O=C(O)COCCNCC1CC1 269956a_100000700818_100000742324 [0,0,0,1,0,0|2,0,1]=4 1357 B12R1.390 OB(O)/C=C/CCCNC1CC1 34a_100000212008_200016261450 [0,0,0,1,0,0|2,0,1]=4 1358 B12R1.390 OB(O)/C=C/CCCSC1CC1 62a_200016261450_100000211595 [0,0,0,1,0,0|2,0,1]=4 1359 B12R1.390 OB(O)/C=C/CNCCC1CC1 34a_100000764129_100016262062 [0,0,0,1,0,0|2,0,1]=4 1360 B12R1.390 OB(O)/C=C/COCCC1CC1 34a_100000754188_100016262062 [0,0,0,1,0,0|2,0,1]=4 1361 B12R1.390 OB(O)/C=C/COCCC1CC1 7a_100000754188_100016262062 [0,0,0,1,0,0|2,0,1]=4 1362 B12R1.390 OB(O)/C=C/CSCCC1CC1 62a_100000764125_100016262062 [0,0,0,1,0,0|2,0,1]=4 1363 B12R1.390 OB(O)/C=C/CSCCC1CC1 62a_100016262062_100000764125 [0,0,0,1,0,0|2,0,1]=4 1364 B12R1.405 CCN1CCCCCC1C(=O)O 269956a_100000758484_100000210202 [0,0,0,1,0,0|1,0,2]=4 1365 B12R1.522 CCCCCN1CCC1C(=O)O 269956a_100000021838_100000210326 [0,0,0,1,0,0|1,0,2]=4 1366 B12R1.1335 CC(=O)N1CCCCCCCC1 11a_100000039187_100015343762 [0,0,0,1,0,0|2,0,1]=4 1367 B12R1.1335 CC(=O)N1CCCCCCCC1 1626a_100000039187_100015343762 [0,0,0,1,0,0|2,0,1]=4 1368 B12R1.1335 CC(=O)N1CCCCCCCC1 240690a_100000039187_100015343762 [0,0,0,1,0,0|2,0,1]=4 1369 B12R1.1335 CC(=O)N1CCCCCCCC1 527a_100000039187_100103153847 [0,0,0,1,0,0|2,0,1]=4 1370 B12R1.1343 CC(=O)COC1CCCCCC1 34a_100000211253_100011217769 [0,0,0,1,0,0|2,0,1]=4 1371 B12R1.1343 CC(=O)NCC1CCCCCC1 11a_100015204231_100015343762 [0,0,0,1,0,0|2,0,1]=4 1372 B12R1.1343 CC(=O)NCC1CCCCCC1 1626a_100015204231_100015343762 [0,0,0,1,0,0|2,0,1]=4 1373 B12R1.1343 CC(=O)NCC1CCCCCC1 240690a_100015204231_100015343762 [0,0,0,1,0,0|2,0,1]=4 1374 B12R1.1343 CC(=O)NCC1CCCCCC1 527a_100015204231_100103153847 [0,0,0,1,0,0|2,0,1]=4 1375 B12R1.1343 NC(=O)CNC1CCCCCC1 2230a_100000210984_100000747473 [0,0,0,1,0,0|2,0,1]=4 1376 B12R1.1343 NC(=O)CNC1CCCCCC1 34a_100000210984_100000187820 [0,0,0,1,0,0|2,0,1]=4 1377 B12R1.1343 NC(=O)COC1CCCCCC1 34a_100000210887_100000187820 [0,0,0,1,0,0|2,0,1]=4 1378 B12R1.1343 NC(=O)COC1CCCCCC1 7a_100000210887_100000187820 [0,0,0,1,0,0|2,0,1]=4 1379 B12R1.1343 NC(=O)CSC1CCCCCC1 62a_100000747473_100011217769 [0,0,0,1,0,0|2,0,1]=4 1380 B12R1.1343 NC(=O)CSC1CCCCCC1 62a_100011217769_100000747473 [0,0,0,1,0,0|2,0,1]=4 1381 B12R1.1343 O=C(O)CNC1CCCCCC1 269956a_100016091260_100011217769 [0,0,0,1,0,0|1,0,1]=3 1382 B12R1.1343 O=C([O-])CNC1CCCCCC1 34a_100000210984_100020667443 [0,0,0,1,0,0|1,0,2]=4 1383 B12R1.1343 O=C([O-])COC1CCCCCC1 34a_100000210887_100020667443 [0,0,0,1,0,0|1,0,2]=4 1384 B12R1.1343 O=C([O-])CSC1CCCCCC1 62a_100011217769_100020667443 [0,0,0,1,0,0|1,0,2]=4 1385 B12R1.1343 O=C([O-])CSC1CCCCCC1 62a_100020667443_100011217769 [0,0,0,1,0,0|1,0,2]=4 1386 B12R1.1392 CC(=O)NC1CCCCCCC1 11a_100000211152_100015343762 [0,0,0,1,0,0|2,0,1]=4 1387 B12R1.1392 CC(=O)NC1CCCCCCC1 1626a_100000211152_100015343762 [0,0,0,1,0,0|2,0,1]=4 1388 B12R1.1392 CC(=O)NC1CCCCCCC1 240690a_100000211152_100015343762 [0,0,0,1,0,0|2,0,1]=4 1389 B12R1.1392 CC(=O)NC1CCCCCCC1 527a_100000211152_100103153847 [0,0,0,1,0,0|2,0,1]=4 1390 B12R1.1392 NC(=O)CN1CCCCCCC1 2230a_100000211400_100000747473 [0,0,0,1,0,0|2,0,1]=4 1391 B12R1.1392 NC(=O)CN1CCCCCCC1 269982a_100000211400_100000187820 [0,0,0,1,0,0|2,0,1]=4 1392 B12R1.1392 NC(=O)CN1CCCCCCC1 34a_100000211400_100000187820 [0,0,0,1,0,0|2,0,1]=4 1393 B12R1.1392 O=C([O-])CN1CCCCCCC1 269982a_100000211400_100020667443 [0,0,0,1,0,0|1,0,2]=4 1394 B12R1.1392 O=C([O-])CN1CCCCCCC1 34a_100000211400_100020667443 [0,0,0,1,0,0|1,0,2]=4 1395 B9R0.2 CC(=O)CCCCCCF 1458a_100000070787_100015922095 [2,0,0,0,0,0|2,0,0]=4 1396 B9R0.2 CC(=O)CCCCCCO 1458a_100000070787_100000766143 [2,0,0,0,0,0|2,0,0]=4 1397 B9R0.2 CC(=O)CCCCCCO 1458a_100011996774_200000210301 [2,0,0,0,0,0|2,0,0]=4 1398 B9R0.2 CCCCCC=CC(=O)C 1458a_100016263427_200000210301 [2,0,0,0,0,0|1,0,0]=3 1399 B9R0.2 CCCCCC=CC(=O)[13CH3] 1458a_100016263427_200025704644 [2,0,0,0,0,0|1,0,0]=3 1400 B9R0.2 CCCCCCCC(=O)C 1458a_100000070787_100000210614 [2,0,0,0,0,0|1,0,0]=3 1401 B9R0.2 CCCCCCCC(=O)C 1458a_100000211969_200000210301 [2,0,0,0,0,0|1,0,0]=3 1402 B9R0.2 CCCCCCCC(=O)[13CH3] 1458a_100000211969_200025704644 [2,0,0,0,0,0|1,0,0]=3 1403 B9R0.2 CCCCCCNC(=O)C 11a_100000210581_100015343762 [2,0,0,0,0,0|2,0,0]=4 1404 B9R0.2 CCCCCCNC(=O)C 1626a_100000210581_100015343762 [2,0,0,0,0,0|2,0,0]=4 1405 B9R0.2 CCCCCCNC(=O)C 240690a_100000210581_100015343762 [2,0,0,0,0,0|2,0,0]=4 1406 B9R0.2 CCCCCCNC(=O)C 527a_100000210581_100103153847 [2,0,0,0,0,0|2,0,0]=4 1407 B9R0.2 CCCCCNCC(=O)N 2230a_100000209983_100000747473 [2,0,0,0,0,0|2,0,0]=4 1408 B9R0.2 CCCCCNCC(=O)N 2230a_100000711301_100000210326 [2,0,0,0,0,0|2,0,0]=4 1409 B9R0.2 CCCCCNCC(=O)O 269956a_100016091260_100000210326 [2,0,0,0,0,0|1,0,0]=3 1410 B9R0.2 CCCCCOCC(=O)C 34a_100000211253_100000718602 [2,0,0,0,0,0|2,0,0]=4 1411 B9R0.2 CCCCCOCC(=O)N 34a_100000210253_100000187820 [2,0,0,0,0,0|2,0,0]=4 1412 B9R0.2 CCCCCOCC(=O)N 7a_100000210253_100000187820 [2,0,0,0,0,0|2,0,0]=4 1413 B9R0.2 CCCCCOCC(=O)[O-] 34a_100000210253_100020667443 [2,0,0,0,0,0|1,0,1]=4 1414 B9R0.2 CCCCCSCC(=O)N 62a_100000210326_100000747473 [2,0,0,0,0,0|2,0,0]=4 1415 B9R0.2 CCCCCSCC(=O)N 62a_100000747473_100000210326 [2,0,0,0,0,0|2,0,0]=4 1416 B9R0.2 CCCCCSCC(=O)[O-] 62a_100000210326_100020667443 [2,0,0,0,0,0|1,0,1]=4 1417 B9R0.2 CCCCCSCC(=O)[O-] 62a_100020667443_100000210326 [2,0,0,0,0,0|1,0,1]=4 1418 B9R0.2 CCCCNCCC(=O)C 7a_106832991798_100000053229 [2,0,0,0,0,0|2,0,0]=4 1419 B9R0.2 CCCCNCCC(=O)N 2230a_100000102301_100000744528 [2,0,0,0,0,0|2,0,0]=4 1420 B9R0.2 CCCCNCCC(=O)N 7a_106832991798_100000744528 [2,0,0,0,0,0|2,0,0]=4 1421 B9R0.2 CCCCNOCC(=O)O 269956a_100000106656_100000210211 [2,0,0,0,0,0|2,0,0]=4 1422 B9R0.2 CCCCOCCC(=O)C 1458a_100000070787_100000743108 [2,0,0,0,0,0|2,0,0]=4 1423 B9R0.2 CCCCOCCC(=O)C 34a_100000759926_100000210210 [2,0,0,0,0,0|2,0,0]=4 1424 B9R0.2 CCCCOCCC(=O)C 7a_100000210227_100000053229 [2,0,0,0,0,0|2,0,0]=4 1425 B9R0.2 CCCCOCCC(=O)C 7a_100000759926_100000210211 [2,0,0,0,0,0|2,0,0]=4 1426 B9R0.2 CCCCOCCC(=O)N 34a_100000210227_100000731001 [2,0,0,0,0,0|2,0,0]=4 1427 B9R0.2 CCCCOCCC(=O)N 34a_100000757172_100000210210 [2,0,0,0,0,0|2,0,0]=4 1428 B9R0.2 CCCCOCCC(=O)N 7a_100000210227_100000744528 [2,0,0,0,0,0|2,0,0]=4 1429 B9R0.2 CCCCOCCC(=O)N 7a_100000757172_100000210211 [2,0,0,0,0,0|2,0,0]=4 1430 B9R0.2 CCCCSCCC(=O)C 62a_100000053229_100000210210 [2,0,0,0,0,0|2,0,0]=4 1431 B9R0.2 CCCCSCCC(=O)C 62a_100000210211_100000053229 [2,0,0,0,0,0|2,0,0]=4 1432 B9R0.2 CCCCSCCC(=O)N 62a_100000210211_100000744528 [2,0,0,0,0,0|2,0,0]=4 1433 B9R0.2 CCCCSCCC(=O)N 62a_100000744528_100000210210 [2,0,0,0,0,0|2,0,0]=4 1434 B9R0.2 CCCNCCCC(=O)N 34a_100000739312_100000210303 [2,0,0,0,0,0|2,0,0]=4 1435 B9R0.2 CCCOCCCC(=O)C 34a_100000210258_100000685027 [2,0,0,0,0,0|2,0,0]=4 1436 B9R0.2 CCCOCCCC(=O)C 34a_100000759063_100000210303 [2,0,0,0,0,0|2,0,0]=4 1437 B9R0.2 CCCOCCCC(=O)C 7a_100000759063_100000210303 [2,0,0,0,0,0|2,0,0]=4 1438 B9R0.2 CCCOCCCC(=O)N 34a_100000210258_100102525003 [2,0,0,0,0,0|2,0,0]=4 1439 B9R0.2 CCCSCCCC(=O)C 62a_100000210303_100011215641 [2,0,0,0,0,0|2,0,0]=4 1440 B9R0.2 CCCSCCCC(=O)C 62a_100011215641_100000210303 [2,0,0,0,0,0|2,0,0]=4 1441 B9R0.2 CCCSCCCC(=O)N 62a_100000210303_100102525003 [2,0,0,0,0,0|2,0,0]=4 1442 B9R0.2 CCCSCCCC(=O)N 62a_100102525003_100000210303 [2,0,0,0,0,0|2,0,0]=4 1443 B9R0.2 CCNCCCCC(=O)N 34a_100000696515_100000210202 [2,0,0,0,0,0|2,0,0]=4 1444 B9R0.2 CCNCCOCC(=O)O 269956a_100000700818_100000210202 [2,0,0,0,0,0|2,0,0]=4 1445 B9R0.2 CCOCCCCC(=O)C 34a_100121572206_100009817362 [2,0,0,0,0,0|2,0,0]=4 1446 B9R0.2 CCOCCCCC(=O)N 34a_100012022536_100000210202 [2,0,0,0,0,0|2,0,0]=4 1447 B9R0.2 CCOCCCCC(=O)N 7a_100012022536_100000210202 [2,0,0,0,0,0|2,0,0]=4 1448 B9R0.2 CCOCCNCC(=O)O 269956a_100016091260_100000210147 [2,0,0,0,0,0|2,0,0]=4 1449 B9R0.2 CCSCCCCC(=O)C 62a_100000210202_100000735457 [2,0,0,0,0,0|2,0,0]=4 1450 B9R0.2 CCSCCCCC(=O)C 62a_100000735457_100000210202 [2,0,0,0,0,0|2,0,0]=4 1451 B9R0.2 CCSCCNCC(=O)O 269956a_100016091260_100000757381 [2,0,0,0,0,0|2,0,0]=4 1452 B9R0.2 CNCCCCCC(=O)N 2230a_106832991635_100009817443 [2,0,0,0,0,0|2,0,0]=4 1453 B9R0.2 CNCCCCCC(=O)N 34a_100102657272_100009817443 [2,0,0,0,0,0|2,0,0]=4 1454 B9R0.2 CNCCCCCC(=O)N 7a_106832991635_100009817443 [2,0,0,0,0,0|2,0,0]=4 1455 B9R0.2 COCCCCCC(=O)C 1458a_100011935119_200000210301 [2,0,0,0,0,0|2,0,0]=4 1456 B9R0.2 COCCCCCC(=O)N 34a_100000123541_200000210301 [2,0,0,0,0,0|2,0,0]=4 1457 B9R0.2 COCCCCCC(=O)N 34a_100138415774_100009817443 [2,0,0,0,0,0|2,0,0]=4 1458 B9R0.2 COCCCCCC(=O)N 7a_100000123541_200000210301 [2,0,0,0,0,0|2,0,0]=4 1459 B9R0.2 COCCCCCC(=O)[13CH3] 1458a_100011935119_200025704644 [2,0,0,0,0,0|2,0,0]=4 1460 B9R0.2 COCCCCCC(=O)[O-] 7a_100102619762_200000210301 [2,0,0,0,0,0|1,0,1]=4 1461 B9R0.2 COCCCNCC(=O)O 269956a_100016091260_100000740836 [2,0,0,0,0,0|2,0,0]=4 1462 B9R0.2 CSCCCCCC(=O)N 62a_100009817443_200000210301 [2,0,0,0,0,0|2,0,0]=4 1463 B9R0.2 CSCCCCCC(=O)N 62a_200000210301_100009817443 [2,0,0,0,0,0|2,0,0]=4 1464 B9R0.2 O=C(O)CNCCCCF 269956a_100016091260_100000729493 [2,0,0,0,0,0|2,0,0]=4 1465 B9R0.2 O=C(O)CNCCCCO 269956a_100016091260_100000210776 [2,0,0,0,0,0|2,0,0]=4 1466 B9R0.2 [13CH3]C(=O)CCCCCCO 1458a_100011996774_200025704644 [2,0,0,0,0,0|2,0,0]=4 1467 B9R0.2 [13CH3]OCCCCCC(=O)N 34a_100000123541_200025704644 [2,0,0,0,0,0|2,0,0]=4 1468 B9R0.2 [13CH3]OCCCCCC(=O)N 7a_100000123541_200025704644 [2,0,0,0,0,0|2,0,0]=4 1469 B9R0.2 [13CH3]OCCCCCC(=O)[O-] 7a_100102619762_200025704644 [2,0,0,0,0,0|1,0,1]=4 1470 B9R0.2 [13CH3]SCCCCCC(=O)N 62a_100009817443_200025704644 [2,0,0,0,0,0|2,0,0]=4 1471 B9R0.2 [13CH3]SCCCCCC(=O)N 62a_200025704644_100009817443 [2,0,0,0,0,0|2,0,0]=4 1472 B9R0.45 C/C=C/CCOCCCC 34a_100016278192_100000210210 [2,0,0,0,0,0|1,0,1]=4 1473 B9R0.45 C/C=C/COCCCCC 34a_100000210253_100102629194 [2,0,0,0,0,0|1,0,1]=4 1474 B9R0.45 C/C=C/COCCCCC 34a_100016270725_100000718602 [2,0,0,0,0,0|1,0,1]=4 1475 B9R0.45 C/C=C/COCCCCC 7a_100000210253_100102629194 [2,0,0,0,0,0|1,0,1]=4 1476 B9R0.45 C/C=C/CSCCCCC 62a_100000210326_100102629194 [2,0,0,0,0,0|1,0,1]=4 1477 B9R0.45 C/C=C/CSCCCCC 62a_100102629194_100000210326 [2,0,0,0,0,0|1,0,1]=4 1478 B9R0.45 C=CCCCCCCNC 2230a_106832991635_100011215473 [2,0,0,0,0,0|1,0,1]=4 1479 B9R0.45 C=CCCCCCCNC 34a_100102657272_100011215473 [2,0,0,0,0,0|1,0,1]=4 1480 B9R0.45 C=CCCCCCCNC 7a_106832991635_100011215473 [2,0,0,0,0,0|1,0,1]=4 1481 B9R0.45 C=CCCCCCCOC 34a_100138415774_100011215473 [2,0,0,0,0,0|1,0,1]=4 1482 B9R0.45 C=CCCCCCCOC 34a_200011216477_200000210301 [2,0,0,0,0,0|1,0,1]=4 1483 B9R0.45 C=CCCCCCCOC 7a_200011216477_200000210301 [2,0,0,0,0,0|1,0,1]=4 1484 B9R0.45 C=CCCCCCCO[13CH3] 34a_200011216477_200025704644 [2,0,0,0,0,0|1,0,1]=4 1485 B9R0.45 C=CCCCCCCO[13CH3] 7a_200011216477_200025704644 [2,0,0,0,0,0|1,0,1]=4 1486 B9R0.45 C=CCCCCCCSC 62a_100011215473_200000210301 [2,0,0,0,0,0|1,0,1]=4 1487 B9R0.45 C=CCCCCCCSC 62a_200000210301_100011215473 [2,0,0,0,0,0|1,0,1]=4 1488 B9R0.45 C=CCCCCCCS[13CH3] 62a_100011215473_200025704644 [2,0,0,0,0,0|1,0,1]=4 1489 B9R0.45 C=CCCCCCCS[13CH3] 62a_200025704644_100011215473 [2,0,0,0,0,0|1,0,1]=4 1490 B9R0.45 C=CCCCCCNCC 2230a_100015525214_100000700193 [2,0,0,0,0,0|1,0,1]=4 1491 B9R0.45 C=CCCCCCOCC 34a_100011216702_100000210202 [2,0,0,0,0,0|1,0,1]=4 1492 B9R0.45 C=CCCCCCOCC 34a_100121572206_100000700193 [2,0,0,0,0,0|1,0,1]=4 1493 B9R0.45 C=CCCCCCOCC 7a_100011216702_100000210202 [2,0,0,0,0,0|1,0,1]=4 1494 B9R0.45 C=CCCCCCSCC 62a_100000210202_100000700193 [2,0,0,0,0,0|1,0,1]=4 1495 B9R0.45 C=CCCCCCSCC 62a_100000700193_100000210202 [2,0,0,0,0,0|1,0,1]=4 1496 B9R0.45 C=CCCCCNCCC 2230a_100000703577_100000210303 [2,0,0,0,0,0|1,0,1]=4 1497 B9R0.45 C=CCCCCNCCC 34a_100000703577_100000210303 [2,0,0,0,0,0|1,0,1]=4 1498 B9R0.45 C=CCCCCOCCC 34a_100000210258_100011215482 [2,0,0,0,0,0|1,0,1]=4 1499 B9R0.45 C=CCCCCOCCC 34a_100000766645_100000210303 [2,0,0,0,0,0|1,0,1]=4 1500 B9R0.45 C=CCCCCOCCC 7a_100000766645_100000210303 [2,0,0,0,0,0|1,0,1]=4 1501 B9R0.45 C=CCCCCSCCC 62a_100000210303_100011215482 [2,0,0,0,0,0|1,0,1]=4 1502 B9R0.45 C=CCCCCSCCC 62a_100011215482_100000210303 [2,0,0,0,0,0|1,0,1]=4 1503 B9R0.45 C=CCCCNCCCC 2230a_100000102301_100011713584 [2,0,0,0,0,0|1,0,1]=4 1504 B9R0.45 C=CCCCNCCCC 2230a_100000700776_100000210211 [2,0,0,0,0,0|1,0,1]=4 1505 B9R0.45 C=CCCCNCCCC 34a_100000700776_100000210210 [2,0,0,0,0,0|1,0,1]=4 1506 B9R0.45 C=CCCCNCCCC 7a_106832991798_100000757094 [2,0,0,0,0,0|1,0,1]=4 1507 B9R0.45 C=CCCCOCCCC 34a_100000210227_100000757094 [2,0,0,0,0,0|1,0,1]=4 1508 B9R0.45 C=CCCCOCCCC 34a_100000758997_100000210210 [2,0,0,0,0,0|1,0,1]=4 1509 B9R0.45 C=CCCCOCCCC 7a_100000210227_100000757094 [2,0,0,0,0,0|1,0,1]=4 1510 B9R0.45 C=CCCCOCCCC 7a_100000758997_100000210211 [2,0,0,0,0,0|1,0,1]=4 1511 B9R0.45 C=CCCCSCCCC 62a_100000210211_100000757094 [2,0,0,0,0,0|1,0,1]=4 1512 B9R0.45 C=CCCCSCCCC 62a_100011713584_100000210210 [2,0,0,0,0,0|1,0,1]=4 1513 B9R0.45 C=CCCNCCCCC 2230a_100000209983_100000754431 [2,0,0,0,0,0|1,0,1]=4 1514 B9R0.45 C=CCCNCCCCC 2230a_100015191253_100000210326 [2,0,0,0,0,0|1,0,1]=4 1515 B9R0.45 C=CCCOCCCCC 34a_100000210253_100000754431 [2,0,0,0,0,0|1,0,1]=4 1516 B9R0.45 C=CCCOCCCCC 34a_100011205117_100000718602 [2,0,0,0,0,0|1,0,1]=4 1517 B9R0.45 C=CCCOCCCCC 7a_100000210253_100000754431 [2,0,0,0,0,0|1,0,1]=4 1518 B9R0.45 C=CCCSCCCCC 62a_100000210326_100000754431 [2,0,0,0,0,0|1,0,1]=4 1519 B9R0.45 C=CCCSCCCCC 62a_100000754431_100000210326 [2,0,0,0,0,0|1,0,1]=4 1520 B9R0.45 C=CCNCCCCCC 2230a_100000210581_100000210623 [2,0,0,0,0,0|1,0,1]=4 1521 B9R0.45 C=CCNCCCCCC 2230a_100020586998_100000210314 [2,0,0,0,0,0|1,0,1]=4 1522 B9R0.45 C=CCOCCCCCC 34a_100000210259_100015514636 [2,0,0,0,0,0|1,0,1]=4 1523 B9R0.45 C=CCOCCCCCC 34a_200000210373_100000210314 [2,0,0,0,0,0|1,0,1]=4 1524 B9R0.45 C=CCOCCCCCC 7a_100000210259_100015514636 [2,0,0,0,0,0|1,0,1]=4 1525 B9R0.45 C=CCSCCCCCC 62a_100000210314_100000210623 [2,0,0,0,0,0|1,0,1]=4 1526 B9R0.45 C=CCSCCCCCC 62a_100000210623_100000210757 [2,0,0,0,0,0|1,0,1]=4 1527 B9R0.45 C=COCCCCOCC 34a_100000031558_100000210202 [2,0,0,0,0,0|2,0,0]=4 1528 B9R0.45 C=COCCCCOCC 7a_100000031558_100000210202 [2,0,0,0,0,0|2,0,0]=4 1529 B9R0.45 C=COCCCNCCC 2230a_100000210767_100000210303 [2,0,0,0,0,0|2,0,0]=4 1530 B9R0.45 C=COCCCNCCC 34a_100000210767_100000210303 [2,0,0,0,0,0|2,0,0]=4 1531 B9R0.45 C=COCCNCCCC 2230a_100000102301_100000039644 [2,0,0,0,0,0|2,0,0]=4 1532 B9R0.45 C=COCCNCCCC 7a_106832991798_100000039644 [2,0,0,0,0,0|2,0,0]=4 1533 B9R0.45 C=COCCOCCCC 34a_100000033082_100000210210 [2,0,0,0,0,0|2,0,0]=4 1534 B9R0.45 C=COCCOCCCC 34a_100000210227_100000039644 [2,0,0,0,0,0|2,0,0]=4 1535 B9R0.45 C=COCCOCCCC 7a_100000210227_100000039644 [2,0,0,0,0,0|2,0,0]=4 1536 B9R0.45 C=COCCSCCCC 62a_100000039644_100000210210 [2,0,0,0,0,0|2,0,0]=4 1537 B9R0.45 C=COCCSCCCC 62a_100000210211_100000039644 [2,0,0,0,0,0|2,0,0]=4 1538 B9R0.45 CC=CCCCOCCC 34a_100020645299_100000210303 [2,0,0,0,0,0|1,0,1]=4 1539 B9R0.45 CC=CCNCCCCC 2230a_100000209983_100000070051 [2,0,0,0,0,0|1,0,1]=4 1540 B9R0.45 CC=CCOCCCCC 34a_100000210253_100000070051 [2,0,0,0,0,0|1,0,1]=4 1541 B9R0.45 CC=CCOCCCCC 7a_100000210253_100000070051 [2,0,0,0,0,0|1,0,1]=4 1542 B9R0.45 CC=CCSCCCCC 62a_100000070051_100000210326 [2,0,0,0,0,0|1,0,1]=4 1543 B9R0.45 CC=CCSCCCCC 62a_100000210326_100000070051 [2,0,0,0,0,0|1,0,1]=4 1544 B9R0.45 CCCCCCNCC=O 2230a_100000210581_200015260668 [2,0,0,0,0,0|1,0,1]=4 1545 B9R0.45 CCCCCCOCC=O 34a_100000210259_200009817547 [2,0,0,0,0,0|1,0,1]=4 1546 B9R0.45 CCCCCCOCC=O 7a_100000210259_200015260668 [2,0,0,0,0,0|1,0,1]=4 1547 B9R0.45 CCCCCCSCC=O 62a_100000210314_200015260668 [2,0,0,0,0,0|1,0,1]=4 1548 B9R0.45 CCCCCCSCC=O 62a_200015260668_100000210757 [2,0,0,0,0,0|1,0,1]=4 1549 B9R0.45 CCCCNCCCC=O 2230a_100000102301_200011292268 [2,0,0,0,0,0|1,0,1]=4 1550 B9R0.45 CCCCNCCCC=O 7a_106832991798_200011292268 [2,0,0,0,0,0|1,0,1]=4 1551 B9R0.45 CCCCOCCCC=O 7a_100000210227_200011292268 [2,0,0,0,0,0|1,0,1]=4 1552 B9R0.45 CCCCSCCCC=O 62a_100000210211_200011292268 [2,0,0,0,0,0|1,0,1]=4 1553 B9R0.45 CCCCSCCCC=O 62a_200011292268_100000210210 [2,0,0,0,0,0|1,0,1]=4 1554 B9R0.45 CCCSCCCCC=O 62a_100000139335_100000210303 [2,0,0,0,0,0|1,0,1]=4 1555 B9R0.45 CCCSCCCCC=O 62a_100000210303_100000139335 [2,0,0,0,0,0|1,0,1]=4 1556 B9R0.45 CCNCCCCCC=O 2230a_100015525214_100000139337 [2,0,0,0,0,0|1,0,1]=4 1557 B9R0.45 CCSCCCCCC=O 62a_100000139337_100000210202 [2,0,0,0,0,0|1,0,1]=4 1558 B9R0.45 CCSCCCCCC=O 62a_100000210202_100000139337 [2,0,0,0,0,0|1,0,1]=4 1559 B11R0.2 CCCCCCC(=O)C=C(C)C 1458a_100000211388_100000210757 [1,1,0,0,0,0|2,0,0]=4 1560 B11R0.2 CCCCCCC(=O)C=C(C)Cl 1458a_200042562850_100000210757 [1,1,0,0,0,0|2,0,0]=4 1561 B11R0.2 CCCCCCC(=O)C=C(C)I 1458a_100025716642_100000210757 [1,1,0,0,0,0|2,0,0]=4 1562 B11R0.2 CCCCCCC(=O)C=C(Cl)Cl 1458a_100000137448_100000210757 [1,1,0,0,0,0|2,0,0]=4 1563 B11R0.2 CCCCCCC(=O)CC(=O)N 1458a_100102632555_100000187820 [1,1,0,0,0,0|1,0,1]=4 1564 B11R0.2 CCCCCCC(=O)CC(=O)N 1458a_100134613110_100000210757 [1,1,0,0,0,0|1,0,1]=4 1565 B11R0.2 CCCCCCC(=O)CC(=O)[O-] 1458a_100102632555_100020667443 [1,1,0,0,0,0|0,0,2]=4 1566 B11R0.2 CCCCCCC(C)NC(=O)C 11a_100000210919_100015343762 [1,1,0,0,0,0|2,0,0]=4 1567 B11R0.2 CCCCCCC(C)NC(=O)C 1626a_100000210919_100015343762 [1,1,0,0,0,0|2,0,0]=4 1568 B11R0.2 CCCCCCC(C)NC(=O)C 240690a_100000210919_100015343762 [1,1,0,0,0,0|2,0,0]=4 1569 B11R0.2 CCCCCCC(C)NC(=O)C 527a_100000210919_100103153847 [1,1,0,0,0,0|2,0,0]=4 1570 B11R0.2 CCCCCCN(C)CC(=O)O 269956a_100000746989_100000210757 [1,1,0,0,0,0|1,0,1]=4 1571 B11R0.2 CCCCNCC(O)CC(=O)O 269956a_100011218706_100000210211 [1,1,0,0,0,0|1,0,1]=4 1572 B11R0.30 CC(=O)CCCCCCC(C)C 1458a_100000040743_200000210301 [1,1,0,0,0,0|1,0,1]=4 1573 B11R0.30 CC(=O)NCCCCCC(C)C 1626a_100011290863_100015343762 [1,1,0,0,0,0|2,0,0]=4 1574 B11R0.30 CC(=O)NCCCCCC(C)C 240690a_100011290863_100015343762 [1,1,0,0,0,0|2,0,0]=4 1575 B11R0.30 CC(=O)NCCCCCC(C)C 527a_100011290863_100103153847 [1,1,0,0,0,0|2,0,0]=4 1576 B11R0.30 CC(C)CCCCCCC(=O)[13CH3] 1458a_100000040743_200025704644 [1,1,0,0,0,0|1,0,1]=4 1577 B11R0.30 CC(C)CCCCNCC(=O)O 269956a_100016091260_100011216152 [1,1,0,0,0,0|1,0,1]=4 1578 B11R0.40 C#CC(=O)CCCCCCCC 1458a_100000211873_100000210759 [1,1,0,0,0,0|1,0,1]=4 1579 B11R0.40 C=CC(=O)CCCCCCCC 1458a_100000185746_100000210759 [1,1,0,0,0,0|1,0,1]=4 1580 B11R0.40 C=CC(=O)NCCCCCCC 1626a_100000229938_100000185746 [1,1,0,0,0,0|2,0,0]=4 1581 B11R0.40 C=CC(=O)NCCCCCCC 240690a_100000229938_200121576911 [1,1,0,0,0,0|2,0,0]=4 1582 B11R0.40 CCCCCCC=CC(=O)CC 1458a_200015324643_100000210202 [1,1,0,0,0,0|1,0,0]=3 1583 B11R0.40 CCCCCCC=CC(=O)CF 1458a_200015324643_100015361967 [1,1,0,0,0,0|1,0,0]=3 1584 B11R0.40 CCCCCCC=CC(=O)NC 11a_106832991635_200015324643 [1,1,0,0,0,0|1,0,0]=3 1585 B11R0.40 CCCCCCC=CC(=O)NC 1626a_100102657272_200015324643 [1,1,0,0,0,0|1,0,0]=3 1586 B11R0.40 CCCCCCC=CC(=O)NC 240690a_100102657272_200015324643 [1,1,0,0,0,0|1,0,0]=3 1587 B11R0.40 CCCCCCCCC(=O)CC 1458a_100000210188_100000210202 [1,1,0,0,0,0|1,0,1]=4 1588 B11R0.40 CCCCCCCCC(=O)CC 1458a_100000210414_100000210759 [1,1,0,0,0,0|1,0,1]=4 1589 B11R0.40 CCCCCCCCC(=O)CF 1458a_100000210188_100015361967 [1,1,0,0,0,0|1,0,1]=4 1590 B11R0.40 CCCCCCCCC(=O)CO 1458a_100000210174_100000210759 [1,1,0,0,0,0|0,0,1]=3 1591 B11R0.40 CCCCCCCCC(=O)NC 11a_106832991635_100000210188 [1,1,0,0,0,0|1,0,1]=4 1592 B11R0.40 CCCCCCCCC(=O)NC 1626a_100102657272_100000210188 [1,1,0,0,0,0|1,0,1]=4 1593 B11R0.40 CCCCCCCCC(=O)NC 240690a_100102657272_100000210188 [1,1,0,0,0,0|1,0,1]=4 1594 B11R0.40 CCCCCCCCC(=O)NC 527a_100102657272_100000210188 [1,1,0,0,0,0|1,0,1]=4 1595 B11R0.40 CCCCCCCNC(=O)CC 11a_100000229938_100000210414 [1,1,0,0,0,0|2,0,0]=4 1596 B11R0.40 CCCCCCCNC(=O)CC 1626a_100000229938_100000210414 [1,1,0,0,0,0|2,0,0]=4 1597 B11R0.40 CCCCCCCNC(=O)CC 240690a_100000229938_100000210414 [1,1,0,0,0,0|2,0,0]=4 1598 B11R0.40 CCCCCCCNC(=O)CC 527a_100000229938_100000210414 [1,1,0,0,0,0|2,0,0]=4 1599 B11R0.40 CCCCCCCNC(=O)CO 240690a_100000229938_100000210174 [1,1,0,0,0,0|1,0,0]=3 1600 B11R0.40 CCCCCCCNC(=O)CO 527a_100000229938_100000210174 [1,1,0,0,0,0|1,0,0]=3 1601 B11R0.40 CCCCCCCNC(=O)NC 2708a_100000229938_106832991635 [1,1,0,0,0,0|2,0,0]=4 1602 B11R0.40 CCCCCCCNC(=O)NC 2708a_100102657272_100000229938 [1,1,0,0,0,0|2,0,0]=4 1603 B11R0.40 CCCCCCCNC(=O)NC 273464a_100000229938_100102657272 [1,1,0,0,0,0|2,0,0]=4 1604 B11R0.40 CCCCCCCNC(=O)NC 273464a_100102657272_100000229938 [1,1,0,0,0,0|2,0,0]=4 1605 B11R0.40 CCCCCCCNC(=O)NC 512a_100000229938_100102657272 [1,1,0,0,0,0|2,0,0]=4 1606 B11R0.40 CCCCCCCNC(=O)NC 512a_106832991638_100000229938 [1,1,0,0,0,0|2,0,0]=4 1607 B11R0.40 CCCCCCNCC(=O)OC 2230a_100000210581_100000747449 [1,1,0,0,0,0|1,0,1]=4 1608 B11R0.40 CCCCCCOCC(=O)OC 34a_100000210259_100000747449 [1,1,0,0,0,0|1,0,1]=4 1609 B11R0.40 CCCCCCOCC(=O)OC 7a_100000210259_100000747449 [1,1,0,0,0,0|1,0,1]=4 1610 B11R0.40 CCCCCCSCC(=O)OC 62a_100000210314_100000747449 [1,1,0,0,0,0|1,0,1]=4 1611 B11R0.40 CCCCCCSCC(=O)OC 62a_100000747449_100000210757 [1,1,0,0,0,0|1,0,1]=4 1612 B11R0.40 CCCCCNCCC(=O)OC 2230a_100000209983_100000204255 [1,1,0,0,0,0|1,0,1]=4 1613 B11R0.40 CCCCCNN=CC(=O)OC 4a_100000694160_200011823558 [1,1,0,0,0,0|2,0,0]=4 1614 B11R0.40 CCCCCOCCC(=O)OC 34a_100000210253_100000742370 [1,1,0,0,0,0|1,0,1]=4 1615 B11R0.40 CCCCCOCCC(=O)OC 7a_100000210253_100000204255 [1,1,0,0,0,0|1,0,1]=4 1616 B11R0.40 CCCCCSCCC(=O)OC 62a_100000204255_100000210326 [1,1,0,0,0,0|1,0,1]=4 1617 B11R0.40 CCCCCSCCC(=O)OC 62a_100000210326_100000204255 [1,1,0,0,0,0|1,0,1]=4 1618 B11R0.40 CCCCCSCOC(=O)OC 62a_100000210326_100000139417 [1,1,0,0,0,0|2,0,0]=4 1619 B11R0.40 CCCCNC/C=C/C(=O)OC 2230a_100000102301_100000742655 [1,1,0,0,0,0|1,0,0]=3 1620 B11R0.40 CCCCNC/C=C/C(=O)OC 7a_106832991798_100000742655 [1,1,0,0,0,0|1,0,0]=3 1621 B11R0.40 CCCCNCCCC(=O)OC 2230a_100000102301_100011218270 [1,1,0,0,0,0|1,0,1]=4 1622 B11R0.40 CCCCNCCCC(=O)OC 7a_106832991798_100011218270 [1,1,0,0,0,0|1,0,1]=4 1623 B11R0.40 CCCCOC/C=C/C(=O)OC 34a_100000210227_100000742655 [1,1,0,0,0,0|1,0,0]=3 1624 B11R0.40 CCCCOC/C=C/C(=O)OC 7a_100000210227_100000742655 [1,1,0,0,0,0|1,0,0]=3 1625 B11R0.40 CCCCOCCCC(=O)OC 34a_100000210227_100000742333 [1,1,0,0,0,0|1,0,1]=4 1626 B11R0.40 CCCCOCCCC(=O)OC 7a_100000210227_100011218270 [1,1,0,0,0,0|1,0,1]=4 1627 B11R0.40 CCCCOCCNC(=O)OC 34a_100000757965_100000210210 [1,1,0,0,0,0|2,0,0]=4 1628 B11R0.40 CCCCOCCOC(=O)OC 34a_100010262106_100000210210 [1,1,0,0,0,0|2,0,0]=4 1629 B11R0.40 CCCCSC/C=C/C(=O)OC 62a_100000210211_100000742655 [1,1,0,0,0,0|1,0,0]=3 1630 B11R0.40 CCCCSC/C=C/C(=O)OC 62a_100000742655_100000210210 [1,1,0,0,0,0|1,0,0]=3 1631 B11R0.40 CCCCSCCCC(=O)OC 62a_100000210211_100011218270 [1,1,0,0,0,0|1,0,1]=4 1632 B11R0.40 CCCCSCCCC(=O)OC 62a_100011218270_100000210210 [1,1,0,0,0,0|1,0,1]=4 1633 B11R0.40 CCCCSCCNC(=O)CO 240690a_100025743550_100000210174 [1,1,0,0,0,0|2,0,0]=4 1634 B11R0.40 CCCCSCCNC(=O)CO 527a_100025743550_100000210174 [1,1,0,0,0,0|2,0,0]=4 1635 B11R0.40 CCCOCCCCC(=O)OC 34a_100000059025_100000210303 [1,1,0,0,0,0|1,0,1]=4 1636 B11R0.40 CCCOCCCCC(=O)OC 34a_100000210258_100000204269 [1,1,0,0,0,0|1,0,1]=4 1637 B11R0.40 CCCOCCCCC(=O)OC 7a_100000059025_100000210303 [1,1,0,0,0,0|1,0,1]=4 1638 B11R0.40 CCCOCCCNC(=O)CO 240690a_100011217757_100000210174 [1,1,0,0,0,0|2,0,0]=4 1639 B11R0.40 CCCOCCCNC(=O)CO 527a_100011217757_100000210174 [1,1,0,0,0,0|2,0,0]=4 1640 B11R0.40 CCCSCCCCC(=O)OC 62a_100000204269_100000210303 [1,1,0,0,0,0|1,0,1]=4 1641 B11R0.40 CCCSCCCCC(=O)OC 62a_100000210303_100000204269 [1,1,0,0,0,0|1,0,1]=4 1642 B11R0.40 CCNCCCCCC(=O)OC 2230a_100015525214_100009816466 [1,1,0,0,0,0|1,0,1]=4 1643 B11R0.40 CCOCCCCCC(=O)OC 34a_100000074720_100000210202 [1,1,0,0,0,0|1,0,1]=4 1644 B11R0.40 CCOCCCCCC(=O)OC 34a_100121572206_100009816466 [1,1,0,0,0,0|1,0,1]=4 1645 B11R0.40 CCOCCCCCC(=O)OC 7a_100000074720_100000210202 [1,1,0,0,0,0|1,0,1]=4 1646 B11R0.40 CCOCSC/C=C/C(=O)OC 62a_100000739092_100000742655 [1,1,0,0,0,0|2,0,0]=4 1647 B11R0.40 CCOCSC/C=C/C(=O)OC 62a_100000742655_100000739092 [1,1,0,0,0,0|2,0,0]=4 1648 B11R0.40 CCSCCCCCC(=O)OC 62a_100000210202_100009816466 [1,1,0,0,0,0|1,0,1]=4 1649 B11R0.40 CCSCCCCCC(=O)OC 62a_100009816466_100000210202 [1,1,0,0,0,0|1,0,1]=4 1650 B11R0.40 CNCCCCCCC(=O)OC 2230a_106832991635_100009815986 [1,1,0,0,0,0|1,0,1]=4 1651 B11R0.40 CNCCCCCCC(=O)OC 34a_100102657272_100009815986 [1,1,0,0,0,0|1,0,1]=4 1652 B11R0.40 CNCCCCCCC(=O)OC 7a_106832991635_100009815986 [1,1,0,0,0,0|1,0,1]=4 1653 B11R0.40 COC(=O)/C=C/CNCCCF 2230a_100015189416_100000742655 [1,1,0,0,0,0|2,0,0]=4 1654 B11R0.40 COC(=O)/C=C/CNCCCF 34a_100015189416_100000742655 [1,1,0,0,0,0|2,0,0]=4 1655 B11R0.40 COC(=O)/C=C/CNCCSC 2230a_100020590264_100000742655 [1,1,0,0,0,0|2,0,0]=4 1656 B11R0.40 COC(=O)/C=C/COCCCBr 34a_100011217188_100000742655 [1,1,0,0,0,0|2,0,0]=4 1657 B11R0.40 COC(=O)/C=C/COCCCCl 34a_100000230001_100000742655 [1,1,0,0,0,0|2,0,0]=4 1658 B11R0.40 COC(=O)/C=C/COCCCF 34a_100000759539_100000742655 [1,1,0,0,0,0|2,0,0]=4 1659 B11R0.40 COC(=O)/C=C/COCCCN 34a_100000182051_100000742655 [1,1,0,0,0,0|2,0,0]=4 1660 B11R0.40 COC(=O)/C=C/COCCSC 34a_100000230434_100000742655 [1,1,0,0,0,0|2,0,0]=4 1661 B11R0.40 COC(=O)/C=C/COCCSC 7a_100000230434_100000742655 [1,1,0,0,0,0|2,0,0]=4 1662 B11R0.40 COC(=O)/C=C/CSCCCF 62a_100000742655_100011934791 [1,1,0,0,0,0|2,0,0]=4 1663 B11R0.40 COC(=O)/C=C/CSCCCF 62a_100011934791_100000742655 [1,1,0,0,0,0|2,0,0]=4 1664 B11R0.40 COC(=O)/C=C/CSCCCO 62a_100000742655_100011215043 [1,1,0,0,0,0|2,0,0]=4 1665 B11R0.40 COC(=O)/C=C/CSCCCO 62a_100011215043_100000742655 [1,1,0,0,0,0|2,0,0]=4 1666 B11R0.40 COC(=O)/C=C/CSCCSC 62a_100000212216_100000742655 [1,1,0,0,0,0|2,0,0]=4 1667 B11R0.40 COC(=O)/C=C/CSCCSC 62a_100000742655_100000751147 [1,1,0,0,0,0|2,0,0]=4 1668 B11R0.40 COC(=O)CCCCCCO[13CH3] 34a_100009863599_200025704644 [1,1,0,0,0,0|1,0,1]=4 1669 B11R0.40 COC(=O)CCCCCCO[13CH3] 7a_100009863599_200025704644 [1,1,0,0,0,0|1,0,1]=4 1670 B11R0.40 COC(=O)CCCCCCSC 62a_100009815986_200000210301 [1,1,0,0,0,0|1,0,1]=4 1671 B11R0.40 COC(=O)CCCCCCSC 62a_200000210301_100009815986 [1,1,0,0,0,0|1,0,1]=4 1672 B11R0.40 COC(=O)CCCCCCS[13CH3] 62a_100009815986_200025704644 [1,1,0,0,0,0|1,0,1]=4 1673 B11R0.40 COC(=O)CCCCCCS[13CH3] 62a_200025704644_100009815986 [1,1,0,0,0,0|1,0,1]=4 1674 B11R0.40 COCCCCCCC(=O)CO 1458a_100000210174_100011998445 [1,1,0,0,0,0|1,0,1]=4 1675 B11R0.40 COCCCCCCC(=O)OC 34a_100009863599_200000210301 [1,1,0,0,0,0|1,0,1]=4 1676 B11R0.40 COCCCCCCC(=O)OC 34a_100138415774_100009815986 [1,1,0,0,0,0|1,0,1]=4 1677 B11R0.40 COCCCCCCC(=O)OC 7a_100009863599_200000210301 [1,1,0,0,0,0|1,0,1]=4 1678 B11R0.40 COCCCCCNC(=O)CO 240690a_100000747528_100000210174 [1,1,0,0,0,0|2,0,0]=4 1679 B11R0.40 COCCCCCNC(=O)CO 527a_100000747528_100000210174 [1,1,0,0,0,0|2,0,0]=4 1680 B11R0.40 COCCNC/C=C/C(=O)OC 2230a_100000209980_100000742655 [1,1,0,0,0,0|2,0,0]=4 1681 B11R0.40 COCCOC/C=C/C(=O)OC 34a_100000210237_100000742655 [1,1,0,0,0,0|2,0,0]=4 1682 B11R0.40 COCCSC/C=C/C(=O)OC 62a_100000233755_100000742655 [1,1,0,0,0,0|2,0,0]=4 1683 B11R0.40 COCCSC/C=C/C(=O)OC 62a_100000742655_100000233755 [1,1,0,0,0,0|2,0,0]=4 1684 B11R0.40 O=C(CO)CCCCCCCO 1458a_100000210174_100000760002 [1,1,0,0,0,0|1,0,1]=4 1685 B11R0.40 O=C(CO)NCCCCCCO 240690a_100000686447_100000210174 [1,1,0,0,0,0|2,0,0]=4 1686 B11R0.40 O=C(CO)NCCCCCCO 527a_100000686447_100000210174 [1,1,0,0,0,0|2,0,0]=4 1687 B11R0.42 C=C(C)C(=O)CCCCCCC 1458a_100000185857_100000210614 [1,1,0,0,0,0|2,0,0]=4 1688 B11R0.42 CCCCCCCC(=O)C(O)O 1458a_100000233687_100000210614 [1,1,0,0,0,0|0,0,2]=4 1689 B11R0.42 CCCCCCCC(=O)[C@@H](C)O 1458a_100000717761_100000210614 [1,1,0,0,0,0|1,0,1]=4 1690 B11R0.42 CCCCCCCC(=O)[C@H](C)O 1458a_217856618621_100000210614 [1,1,0,0,0,0|1,0,1]=4 1691 B11R0.42 CCCCCCCC(C)C(=O)C 1458a_100000070787_200011218727 [1,1,0,0,0,0|1,0,1]=4 1692 B11R0.42 CCCCCCCN(C)C(=O)C 11a_100000228206_100015343762 [1,1,0,0,0,0|2,0,0]=4 1693 B11R0.42 CCCCCCCN(C)C(=O)C 1626a_100000228206_100015343762 [1,1,0,0,0,0|2,0,0]=4 1694 B11R0.42 CCCCCCCN(C)C(=O)C 240690a_100000228206_100015343762 [1,1,0,0,0,0|2,0,0]=4 1695 B11R0.42 CCCCCCCN(C)C(=O)C 527a_100000228206_100103153847 [1,1,0,0,0,0|2,0,0]=4 1696 B11R0.42 CCCCCCNC(=O)C(=O)N 240690a_100000210581_100011215815 [1,1,0,0,0,0|2,0,0]=4 1697 B11R0.42 CCCCCCN[C@@H](C)C(=O)O 269956a_100000743915_100000210757 [1,1,0,0,0,0|1,0,1]=4 1698 B11R0.42 CCCCCNCC(C)C(=O)O 269956a_100000749485_100000210326 [1,1,0,0,0,0|1,0,1]=4 1699 B11R0.42 CCCCCNCC(F)C(=O)O 269956a_100000084737_100000210326 [1,1,0,0,0,0|1,0,1]=4 1700 B11R0.42 CCCCCOCC(=O)C(=O)C 34a_100000210253_100011261029 [1,1,0,0,0,0|2,0,0]=4 1701 B11R0.42 CCCCCSCC(=O)C(=O)C 62a_100000210326_100011261029 [1,1,0,0,0,0|2,0,0]=4 1702 B11R0.42 CCCCCSCC(=O)C(=O)C 62a_100011261029_100000210326 [1,1,0,0,0,0|2,0,0]=4 1703 B11R0.46 CCCCCC(C)CCC(=O)C 1458a_100000034243_200000210301 [1,1,0,0,0,0|1,0,1]=4 1704 B11R0.46 CCCCCC(C)CCC(=O)[13CH3] 1458a_100000034243_200025704644 [1,1,0,0,0,0|1,0,1]=4 1705 B11R0.46 CCCCCC(C)NCC(=O)O 269956a_100016091260_200011218191 [1,1,0,0,0,0|1,0,1]=4 1706 B11R0.147 CCCCN(C)CCCC(=O)O 269956a_100000719178_100000210211 [1,1,0,0,0,0|1,0,1]=4 1707 B11R0.3 C/C=C/C=C/COCCCCC 34a_100016283227_100000718602 [1,1,0,0,0,0|1,0,1]=4 1708 B11R0.3 C/C=C/CCOCCCCCC 34a_100016278192_100000210314 [1,1,0,0,0,0|1,0,1]=4 1709 B11R0.3 C/C=C/COCCCCCCC 34a_100000210272_100102629194 [1,1,0,0,0,0|1,0,1]=4 1710 B11R0.3 C/C=C/COCCCCCCC 34a_100016270725_100000210614 [1,1,0,0,0,0|1,0,1]=4 1711 B11R0.3 C/C=C/COCCCCCCC 7a_100000210272_100102629194 [1,1,0,0,0,0|1,0,1]=4 1712 B11R0.3 C/C=C/CSCCCCCCC 62a_100000210614_100102629194 [1,1,0,0,0,0|1,0,1]=4 1713 B11R0.3 C/C=C/CSCCCCCCC 62a_100102629194_100000210316 [1,1,0,0,0,0|1,0,1]=4 1714 B11R0.3 CC/C=C/CCCOCCCC 34a_100016287902_100000210210 [1,1,0,0,0,0|1,0,1]=4 1715 B11R0.3 CC/C=C/CCCOCCCC 7a_100016287902_100000210211 [1,1,0,0,0,0|1,0,1]=4 1716 B11R0.3 CC/C=C\CCCCCNCC 269862a_100015525214_100016288537 [1,1,0,0,0,0|1,0,1]=4 1717 B11R0.3 CC/C=C\CCCCCOCC 34a_100016268722_100000210202 [1,1,0,0,0,0|1,0,1]=4 1718 B11R0.3 CC/C=C\CCCCCOCC 7a_100016268722_100000210202 [1,1,0,0,0,0|1,0,1]=4 1719 B11R0.3 CC/C=C\CCCCOCCC 34a_100016287862_100000210303 [1,1,0,0,0,0|1,0,1]=4 1720 B11R0.3 CC/C=C\CCCCOCCC 7a_100016287862_100000210303 [1,1,0,0,0,0|1,0,1]=4 1721 B11R0.3 CC/C=C\CCNCCCCC 2230a_100000209983_100015370543 [1,1,0,0,0,0|1,0,1]=4 1722 B11R0.3 CC/C=C\CCOCCCCC 34a_100000210253_100015370543 [1,1,0,0,0,0|1,0,1]=4 1723 B11R0.3 CC/C=C\CCOCCCCC 34a_100016288707_100000718602 [1,1,0,0,0,0|1,0,1]=4 1724 B11R0.3 CC/C=C\CCOCCCCC 7a_100000210253_100015370543 [1,1,0,0,0,0|1,0,1]=4 1725 B11R0.3 CC/C=C\CCOCCCCC 7a_100016288707_100000210326 [1,1,0,0,0,0|1,0,1]=4 1726 B11R0.3 CC/C=C\CCSCCCCC 62a_100000210326_100015370543 [1,1,0,0,0,0|1,0,1]=4 1727 B11R0.3 CC/C=C\CCSCCCCC 62a_100015370543_100000210326 [1,1,0,0,0,0|1,0,1]=4 1728 B11R0.3 CC/C=C\CNCCCCCC 2230a_100000210581_100103147603 [1,1,0,0,0,0|1,0,1]=4 1729 B11R0.3 CC/C=C\COCCCCCC 34a_100000210259_100103147603 [1,1,0,0,0,0|1,0,1]=4 1730 B11R0.3 CC/C=C\COCCCCCC 34a_100016268518_100000210314 [1,1,0,0,0,0|1,0,1]=4 1731 B11R0.3 CC/C=C\COCCCCCC 7a_100000210259_100103147603 [1,1,0,0,0,0|1,0,1]=4 1732 B11R0.3 CC/C=C\CSCCCCCC 62a_100000210314_100103147603 [1,1,0,0,0,0|1,0,1]=4 1733 B11R0.3 CC/C=C\CSCCCCCC 62a_100103147603_100000210757 [1,1,0,0,0,0|1,0,1]=4 1734 B11R0.3 CC=C=CCCOCCCCC 34a_100011020354_100000718602 [1,1,0,0,0,0|1,0,1]=4 1735 B11R0.3 CC=CCCCOCCCCC 34a_100020645299_100000718602 [1,1,0,0,0,0|1,0,1]=4 1736 B11R0.3 CC=CCNCCCCCCC 2230a_100000229938_100000070051 [1,1,0,0,0,0|1,0,1]=4 1737 B11R0.3 CC=CCOCCCCCCC 34a_100000210272_100000070051 [1,1,0,0,0,0|1,0,1]=4 1738 B11R0.3 CC=CCOCCCCCCC 7a_100000210272_100000070051 [1,1,0,0,0,0|1,0,1]=4 1739 B11R0.3 CC=CCSCCCCCCC 62a_100000070051_100000210316 [1,1,0,0,0,0|1,0,1]=4 1740 B11R0.3 CC=CCSCCCCCCC 62a_100000210614_100000070051 [1,1,0,0,0,0|1,0,1]=4 1741 B11R0.3 CCCCCCCCNCC=O 2230a_100000229939_200015260668 [1,1,0,0,0,0|0,0,2]=4 1742 B11R0.3 CCCCCCCCNCC=O 34a_100000229939_200009817547 [1,1,0,0,0,0|0,0,2]=4 1743 B11R0.3 CCCCCCCCOCC=O 34a_100000210232_200009817547 [1,1,0,0,0,0|0,0,2]=4 1744 B11R0.3 CCCCCCCCOCC=O 7a_100000210232_200015260668 [1,1,0,0,0,0|0,0,2]=4 1745 B11R0.3 CCCCCCCCSCC=O 62a_100000210759_200015260668 [1,1,0,0,0,0|0,0,2]=4 1746 B11R0.3 CCCCCCCCSCC=O 62a_200015260668_100000210317 [1,1,0,0,0,0|0,0,2]=4 1747 B11R0.3 CCCCCCNCCCC=O 2230a_100000210581_200011292268 [1,1,0,0,0,0|0,0,2]=4 1748 B11R0.3 CCCCCCOCCCC=O 7a_100000210259_200011292268 [1,1,0,0,0,0|0,0,2]=4 1749 B11R0.3 CCCCCCSCCCC=O 62a_100000210314_200011292268 [1,1,0,0,0,0|0,0,2]=4 1750 B11R0.3 CCCCCCSCCCC=O 62a_200011292268_100000210757 [1,1,0,0,0,0|0,0,2]=4 1751 B11R0.3 CCCCCNCCCCC=O 2230a_100000209983_100000139335 [1,1,0,0,0,0|0,0,2]=4 1752 B11R0.3 CCCCCNCCOCC=O 34a_100000224656_200009817547 [1,1,0,0,0,0|1,0,1]=4 1753 B11R0.3 CCCCCOCCCCC=O 7a_100000210253_100000139335 [1,1,0,0,0,0|0,0,2]=4 1754 B11R0.3 CCCCCOCCOCC=O 34a_100011215259_200009817547 [1,1,0,0,0,0|1,0,1]=4 1755 B11R0.3 CCCCCOCCOCC=O 7a_100011215259_200015260668 [1,1,0,0,0,0|1,0,1]=4 1756 B11R0.3 CCCCCSCCCCC=O 62a_100000139335_100000210326 [1,1,0,0,0,0|0,0,2]=4 1757 B11R0.3 CCCCCSCCCCC=O 62a_100000210326_100000139335 [1,1,0,0,0,0|0,0,2]=4 1758 B11R0.3 CCCCNCCCCCC=O 2230a_100000102301_100000139337 [1,1,0,0,0,0|0,0,2]=4 1759 B11R0.3 CCCCNCCCCCC=O 7a_106832991798_100000139337 [1,1,0,0,0,0|0,0,2]=4 1760 B11R0.3 CCCCOCCCCCC=O 7a_100000210227_100000139337 [1,1,0,0,0,0|0,0,2]=4 1761 B11R0.3 CCCCOCCCNCC=O 2230a_200000211371_200015260668 [1,1,0,0,0,0|1,0,1]=4 1762 B11R0.3 CCCCOCCCNCC=O 34a_200000211371_200009817547 [1,1,0,0,0,0|1,0,1]=4 1763 B11R0.3 CCCCOCCCOCC=O 34a_200011215613_200009817547 [1,1,0,0,0,0|1,0,1]=4 1764 B11R0.3 CCCCOCCCOCC=O 7a_200011215613_200015260668 [1,1,0,0,0,0|1,0,1]=4 1765 B11R0.3 CCCCSCCCCCC=O 62a_100000139337_100000210210 [1,1,0,0,0,0|0,0,2]=4 1766 B11R0.3 CCCCSCCCCCC=O 62a_100000210211_100000139337 [1,1,0,0,0,0|0,0,2]=4 1767 B11R0.3 COCCCCCCOCC=O 34a_200012092642_200009817547 [1,1,0,0,0,0|1,0,1]=4 1768 B11R0.3 COCCCCCCOCC=O 7a_200012092642_200015260668 [1,1,0,0,0,0|1,0,1]=4 1769 B11R0.3 COCCCCCCSCC=O 62a_100011998445_200015260668 [1,1,0,0,0,0|1,0,1]=4 1770 B11R0.3 COCCCCCCSCC=O 62a_200015260668_100011998445 [1,1,0,0,0,0|1,0,1]=4 1771 B11R0.3 NCCCCCCCOCC=O 34a_100011996573_200009817547 [1,1,0,0,0,0|1,0,1]=4 1772 B11R0.3 O=CCNCCCCCCCO 2230a_100011996573_200015260668 [1,1,0,0,0,0|1,0,1]=4 1773 B11R0.3 O=CCNCCCCCCCO 34a_100011996573_200009817547 [1,1,0,0,0,0|1,0,1]=4 1774 B11R0.3 O=CCOCCCCCCCBr 34a_100000760002_200009817547 [1,1,0,0,0,0|1,0,1]=4 1775 B11R0.3 O=CCOCCCCCCCBr 7a_100000760002_200015260668 [1,1,0,0,0,0|1,0,1]=4 1776 B11R0.3 O=CCSCCCCCCCO 62a_100000760002_200015260668 [1,1,0,0,0,0|1,0,1]=4 1777 B11R0.3 O=CCSCCCCCCCO 62a_200015260668_100000760002 [1,1,0,0,0,0|1,0,1]=4 1778 B11R0.4 C=CCC(=O)CCCCCCC 1458a_100000210193_100000210614 [1,1,0,0,0,0|1,0,1]=4 1779 B11R0.4 C=CCC(=O)CCCCCCC 1458a_100000211969_100000210623 [1,1,0,0,0,0|1,0,1]=4 1780 B11R0.4 CC=CC(=O)CCCCCCC 1458a_100000210699_100000210614 [1,1,0,0,0,0|1,0,0]=3 1781 B11R0.4 CC=CC(=O)CCCCCCF 1458a_100000210699_100015922095 [1,1,0,0,0,0|2,0,0]=4 1782 B11R0.4 CC=CC(=O)CCCCCCO 1458a_100000210699_100000766143 [1,1,0,0,0,0|2,0,0]=4 1783 B11R0.4 CC=CC(=O)CCOCCCC 1458a_100000210699_100000743108 [1,1,0,0,0,0|2,0,0]=4 1784 B11R0.4 CC=CC(=O)NCCCCCC 11a_100000210581_100000210699 [1,1,0,0,0,0|2,0,0]=4 1785 B11R0.4 CC=CC(=O)NCCCCCC 1626a_100000210581_100000210699 [1,1,0,0,0,0|2,0,0]=4 1786 B11R0.4 CC=CC(=O)NCCCCCC 240690a_100000210581_100000210699 [1,1,0,0,0,0|2,0,0]=4 1787 B11R0.4 CCCC(C)CCCOCC=O 34a_100011713154_200009817547 [1,1,0,0,0,0|1,0,1]=4 1788 B11R0.4 CCCC(C)CCCOCC=O 7a_100011713154_200015260668 [1,1,0,0,0,0|1,0,1]=4 1789 B11R0.4 CCCCCCCC(=O)C=CBr 1458a_100016273825_100000210614 [1,1,0,0,0,0|1,0,0]=3 1790 B11R0.4 CCCCCCCC(=O)C=CCl 1458a_200016279998_100000210614 [1,1,0,0,0,0|1,0,0]=3 1791 B11R0.4 CCCCCCCC(=O)C=CI 1458a_100016256311_100000210614 [1,1,0,0,0,0|1,0,0]=3 1792 B11R0.4 CCCCCCCC(=O)CCO 1458a_100000211969_100000211926 [1,1,0,0,0,0|0,0,2]=4 1793 B11R0.4 CCCCCCCC(=O)CCO 1458a_100011216618_100000210614 [1,1,0,0,0,0|0,0,2]=4 1794 B11R0.4 CCCCCCCN(C)CC=O 2230a_100000228206_200015260668 [1,1,0,0,0,0|1,0,1]=4 1795 B11R0.4 CCCCCCCN(C)CC=O 269982a_100000228206_200015260668 [1,1,0,0,0,0|1,0,1]=4 1796 B11R0.4 CCCCCCNC(=O)C=CBr 1626a_100000210581_100016273825 [1,1,0,0,0,0|2,0,0]=4 1797 B11R0.4 CCCCCCNC(=O)C=CBr 240690a_100000210581_100016273825 [1,1,0,0,0,0|2,0,0]=4 1798 B11R0.4 CCCCCCNC(=O)C=CCl 11a_100000210581_200016279998 [1,1,0,0,0,0|2,0,0]=4 1799 B11R0.4 CCCCCCNC(=O)C=CCl 1626a_100000210581_200016279998 [1,1,0,0,0,0|2,0,0]=4 1800 B11R0.4 CCCCCCNC(=O)C=CCl 240690a_100000210581_200016279998 [1,1,0,0,0,0|2,0,0]=4 1801 B11R0.4 CCCCCCNC(=O)C=CI 1626a_100000210581_100016256311 [1,1,0,0,0,0|2,0,0]=4 1802 B11R0.4 CCCCOCCC(=O)C=CBr 1458a_100016273825_100000743108 [1,1,0,0,0,0|2,0,0]=4 1803 B11R0.4 CCCCOCCC(=O)C=CCl 1458a_200016279998_100000743108 [1,1,0,0,0,0|2,0,0]=4 1804 B11R0.4 CCCCOCCC(=O)C=CI 1458a_100016256311_100000743108 [1,1,0,0,0,0|2,0,0]=4 1805 B11R0.4 O=C(C=CBr)CCCCCCF 1458a_100016273825_100015922095 [1,1,0,0,0,0|2,0,0]=4 1806 B11R0.4 O=C(C=CBr)CCCCCCO 1458a_100016273825_100000766143 [1,1,0,0,0,0|2,0,0]=4 1807 B11R0.4 O=C(C=CCl)CCCCCCF 1458a_200016279998_100015922095 [1,1,0,0,0,0|2,0,0]=4 1808 B11R0.4 O=C(C=CCl)CCCCCCO 1458a_200016279998_100000766143 [1,1,0,0,0,0|2,0,0]=4 1809 B11R0.4 O=C(C=CI)CCCCCCF 1458a_100016256311_100015922095 [1,1,0,0,0,0|2,0,0]=4 1810 B11R0.4 O=C(C=CI)CCCCCCO 1458a_100016256311_100000766143 [1,1,0,0,0,0|2,0,0]=4 1811 B11R0.81 C=CC=CC(=O)CCCCCC 1458a_100016291481_100000210757 [1,1,0,0,0,0|1,0,1]=4 1812 B11R0.81 CCCCCCC(C)NCC=O 2230a_100000210919_200015260668 [1,1,0,0,0,0|1,0,1]=4 1813 B11R0.81 CCCCCCC(C)NCC=O 34a_100000210919_200009817547 [1,1,0,0,0,0|1,0,1]=4 1814 B11R0.81 CCCCCCC(C)OCC=O 34a_100000210265_200009817547 [1,1,0,0,0,0|1,0,1]=4 1815 B11R0.81 CCCCCCC(C)OCC=O 7a_100000210265_200015260668 [1,1,0,0,0,0|1,0,1]=4 1816 B11R0.81 CCCCCCC(C)SCC=O 62a_100011215978_200015260668 [1,1,0,0,0,0|1,0,1]=4 1817 B11R0.81 CCCCCCC(C)SCC=O 62a_200015260668_100011215978 [1,1,0,0,0,0|1,0,1]=4 1818 B13R0.62 CCCCCCCN(CC)CC(=O)O 269956a_100000746405_100000210614 [0,2,0,0,0,0|1,0,1]=4 1819 B13R0.115 CCCCC(C)CCC(=O)CC(=O)N 1458a_100000033779_100000187820 [0,2,0,0,0,0|1,0,1]=4 1820 B13R0.115 CCCCC(C)CCC(=O)CC(=O)[O-] 1458a_100000033779_100020667443 [0,2,0,0,0,0|0,0,2]=4 1821 B13R0.178 CC(=CC(=O)CCCCCC(C)C)C 1458a_100000211388_100000210682 [0,2,0,0,0,0|2,0,0]=4 1822 B13R0.178 CC(=CC(=O)CCCCCC(C)C)Cl 1458a_200042562850_100000210682 [0,2,0,0,0,0|2,0,0]=4 1823 B13R0.178 CC(=CC(=O)CCCCCC(C)C)I 1458a_100025716642_100000210682 [0,2,0,0,0,0|2,0,0]=4 1824 B13R0.178 CC(C)CCCCCC(=O)C=C(Cl)Cl 1458a_100000137448_100000210682 [0,2,0,0,0,0|2,0,0]=4 1825 B13R0.178 CC(C)CCCCCC(=O)CC(=O)N 1458a_100000766313_100000187820 [0,2,0,0,0,0|1,0,1]=4 1826 B13R0.178 CC(C)CCCCCC(=O)CC(=O)N 1458a_100134613110_100000210682 [0,2,0,0,0,0|1,0,1]=4 1827 B13R0.178 CC(C)CCCCCC(=O)CC(=O)[O-] 1458a_100000766313_100020667443 [0,2,0,0,0,0|0,0,2]=4 1828 B13R0.178 CC(C)CCCCCN(C)CC(=O)O 269956a_100000746989_100000210682 [0,2,0,0,0,0|1,0,1]=4 1829 B13R0.274 CCCCCCCC(=O)C=C(C)CC 1458a_100020758463_100000210614 [0,2,0,0,0,0|2,0,0]=4 1830 B13R0.274 CCCCCCCC(=O)CC(=O)CC 1458a_100000211969_100000747405 [0,2,0,0,0,0|1,0,1]=4 1831 B13R0.274 CCCCCCCC(=O)CC(=O)NC 1458a_100000211969_100000183359 [0,2,0,0,0,0|1,0,1]=4 1832 B13R0.274 CCCCCCCC(=O)CC(=O)OC 1458a_100000211351_100000210614 [0,2,0,0,0,0|0,0,1]=3 1833 B13R0.274 CCCCCCCC(=O)CC(=O)OC 1458a_100000211969_100000747449 [0,2,0,0,0,0|0,0,1]=3 1834 B13R0.274 CCCCCCCN(C)CC(=O)OC 2230a_100000198492_100000210681 [0,2,0,0,0,0|1,0,1]=4 1835 B13R0.274 CCCCCCCN(C)CC(=O)OC 2230a_100000228206_100000747449 [0,2,0,0,0,0|1,0,1]=4 1836 B13R0.274 CCCCCCCN(C)CC(=O)OC 269982a_100000228206_100000747449 [0,2,0,0,0,0|1,0,1]=4 1837 B13R0.274 CCCCCCNC(=O)CC(=O)CO 1458a_100000210174_100000230325 [0,2,0,0,0,0|1,0,1]=4 1838 B13R0.274 CCCCCCNC(=O)CC(=O)OC 240690a_100000210581_100000211351 [0,2,0,0,0,0|1,0,1]=4 1839 B13R0.274 CCCCCSCC(=O)CC(=O)OC 62a_100000210326_100000210525 [0,2,0,0,0,0|1,0,1]=4 1840 B13R0.274 CCCCCSCC(=O)CC(=O)OC 62a_100000210525_100000210326 [0,2,0,0,0,0|1,0,1]=4 1841 B13R0.274 CCCCCSCC(=O)NC(=O)OC 62a_100000210326_100000010850 [0,2,0,0,0,0|2,0,0]=4 1842 B13R0.274 CCCCOCCC(=O)CC(=O)OC 1458a_100000211351_100000743108 [0,2,0,0,0,0|1,0,1]=4 1843 B13R0.274 COC(=O)CC(=O)CCCCCCF 1458a_100000211351_100015922095 [0,2,0,0,0,0|1,0,1]=4 1844 B13R0.274 COC(=O)CC(=O)CCCCCCO 1458a_100000211351_100000766143 [0,2,0,0,0,0|1,0,1]=4 1845 B13R0.274 COC(=O)CC(=O)CCCCCCO 1458a_100011996774_100000747449 [0,2,0,0,0,0|1,0,1]=4 1846 B13R0.274 COCCCCCC(=O)CC(=O)OC 1458a_100011935119_100000747449 [0,2,0,0,0,0|1,0,1]=4 1847 B13R0.335 CC(=CC(=O)CCCCCCCO)C 1458a_100000211388_100000760002 [0,2,0,0,0,0|2,0,0]=4 1848 B13R0.335 CC(=CC(=O)CCCCCCCO)Cl 1458a_200042562850_100000760002 [0,2,0,0,0,0|2,0,0]=4 1849 B13R0.335 CC(=CC(=O)CCCCCCCO)I 1458a_100025716642_100000760002 [0,2,0,0,0,0|2,0,0]=4 1850 B13R0.335 CCCCCCC=CC(=O)CC(=O)N 1458a_200015324643_100000187820 [0,2,0,0,0,0|1,0,1]=4 1851 B13R0.335 CCCCCCC=CC(=O)CC(=O)[O-] 1458a_200015324643_100020667443 [0,2,0,0,0,0|0,0,2]=4 1852 B13R0.335 CCCCCCCCC(=O)C=C(C)C 1458a_100000211388_100000210759 [0,2,0,0,0,0|2,0,0]=4 1853 B13R0.335 CCCCCCCCC(=O)C=C(C)Cl 1458a_200042562850_100000210759 [0,2,0,0,0,0|2,0,0]=4 1854 B13R0.335 CCCCCCCCC(=O)C=C(C)I 1458a_100025716642_100000210759 [0,2,0,0,0,0|2,0,0]=4 1855 B13R0.335 CCCCCCCCC(=O)C=C(Cl)Cl 1458a_100000137448_100000210759 [0,2,0,0,0,0|2,0,0]=4 1856 B13R0.335 CCCCCCCCC(=O)CC(=O)N 1458a_100000210188_100000187820 [0,2,0,0,0,0|1,0,1]=4 1857 B13R0.335 CCCCCCCCC(=O)CC(=O)N 1458a_100134613110_100000210759 [0,2,0,0,0,0|1,0,1]=4 1858 B13R0.335 CCCCCCCCC(=O)CC(=O)[O-] 1458a_100000210188_100020667443 [0,2,0,0,0,0|0,0,2]=4 1859 B13R0.335 CCCCCCCCN(C)CC(=O)O 269956a_100000746989_100000210759 [0,2,0,0,0,0|0,0,2]=4 1860 B13R0.335 CCCCCCCNC(=O)C=C(C)C 11a_100000229938_100000211388 [0,2,0,0,0,0|2,0,0]=4 1861 B13R0.335 CCCCCCCNC(=O)C=C(C)C 1626a_100000229938_100000211388 [0,2,0,0,0,0|2,0,0]=4 1862 B13R0.335 CCCCCCCNC(=O)C=C(C)C 240690a_100000229938_100000211388 [0,2,0,0,0,0|2,0,0]=4 1863 B13R0.335 CCCCCCCNC(=O)C=C(C)Cl 11a_100000229938_200042562850 [0,2,0,0,0,0|2,0,0]=4 1864 B13R0.335 CCCCCCCNC(=O)C=C(C)Cl 1626a_100000229938_200042562850 [0,2,0,0,0,0|2,0,0]=4 1865 B13R0.335 CCCCCCCNC(=O)C=C(C)Cl 240690a_100000229938_200042562850 [0,2,0,0,0,0|2,0,0]=4 1866 B13R0.335 CCCCCCCNC(=O)C=C(C)I 11a_100000229938_100025716642 [0,2,0,0,0,0|2,0,0]=4 1867 B13R0.335 CCCCCCCNC(=O)C=C(C)I 1626a_100000229938_100025716642 [0,2,0,0,0,0|2,0,0]=4 1868 B13R0.335 CCCCCCCNC(=O)C=C(Cl)Cl 1626a_100000229938_100000137448 [0,2,0,0,0,0|2,0,0]=4 1869 B13R0.335 CCCCCCCNC(=O)C=C(Cl)Cl 240690a_100000229938_100000137448 [0,2,0,0,0,0|2,0,0]=4 1870 B13R0.335 CCCCCCCNC(=O)CC(=O)N 240690a_100000229938_100134613110 [0,2,0,0,0,0|1,0,1]=4 1871 B13R0.335 CCCCCCCNC(=O)CC(=O)N 527a_100000229938_100134613110 [0,2,0,0,0,0|1,0,1]=4 1872 B13R0.335 CCCCCCNCC(=O)NC(=O)N 2230a_100000210581_100000182717 [0,2,0,0,0,0|2,0,0]=4 1873 B13R0.335 CCCCCCNCC(O)CC(=O)O 269956a_100011218706_100000210757 [0,2,0,0,0,0|0,0,2]=4 1874 B13R0.335 CCCCCCOCC(=O)NC(=O)C 7a_100000210259_100000183797 [0,2,0,0,0,0|2,0,0]=4 1875 B13R0.335 CCCCCCOCC(=O)NC(=O)N 7a_100000210259_100000182717 [0,2,0,0,0,0|2,0,0]=4 1876 B13R0.335 CCCCCCSCC(=O)NC(=O)C 62a_100000210314_100000183797 [0,2,0,0,0,0|2,0,0]=4 1877 B13R0.335 CCCCCCSCC(=O)NC(=O)N 62a_100000210314_100000182717 [0,2,0,0,0,0|2,0,0]=4 1878 B13R0.335 CCCCCNCCC(=O)NC(=O)N 2230a_100000209983_100000237605 [0,2,0,0,0,0|2,0,0]=4 1879 B13R0.335 CCCCCOCCC(=O)NC(=O)N 7a_100000210253_100000237605 [0,2,0,0,0,0|2,0,0]=4 1880 B13R0.335 CCCCCSCCC(=O)NC(=O)N 62a_100000210326_100000237605 [0,2,0,0,0,0|2,0,0]=4 1881 B13R0.335 CN(CCCCCCCO)CC(=O)O 269956a_100000746989_100000760002 [0,2,0,0,0,0|1,0,1]=4 1882 B13R0.335 COCCCCCCC(=O)C=C(C)C 1458a_100000211388_100011998445 [0,2,0,0,0,0|2,0,0]=4 1883 B13R0.335 COCCCCCCC(=O)C=C(C)Cl 1458a_200042562850_100011998445 [0,2,0,0,0,0|2,0,0]=4 1884 B13R0.335 COCCCCCCC(=O)C=C(C)I 1458a_100025716642_100011998445 [0,2,0,0,0,0|2,0,0]=4 1885 B13R0.335 COCCCCCCC(=O)C=C(Cl)Cl 1458a_100000137448_100011998445 [0,2,0,0,0,0|2,0,0]=4 1886 B13R0.335 COCCCCCCC(=O)CC(=O)N 1458a_100134613110_100011998445 [0,2,0,0,0,0|1,0,1]=4 1887 B13R0.335 COCCCCCCN(C)CC(=O)O 269956a_100000746989_100011998445 [0,2,0,0,0,0|1,0,1]=4 1888 B13R0.335 NC(=O)CC(=O)CCCCCCCO 1458a_100011219782_100000187820 [0,2,0,0,0,0|1,0,1]=4 1889 B13R0.335 NC(=O)CC(=O)CCCCCCCO 1458a_100134613110_100000760002 [0,2,0,0,0,0|1,0,1]=4 1890 B13R0.335 O=C(C=C(Cl)Cl)CCCCCCCO 1458a_100000137448_100000760002 [0,2,0,0,0,0|2,0,0]=4 1891 B13R0.335 O=C([O-])CC(=O)CCCCCCCO 1458a_100011219782_100020667443 [0,2,0,0,0,0|0,0,2]=4 1892 B13R0.337 CCCCCCCC(=O)C(C)C(=O)C 1458a_100000211969_100000179758 [0,2,0,0,0,0|1,0,1]=4 1893 B13R0.337 CCCCCCCC(=O)C(C)C(=O)N 1458a_100000211969_100000702099 [0,2,0,0,0,0|1,0,1]=4 1894 B13R0.337 CCCCCCCC(=O)C(F)C(=O)N 1458a_100000211969_100009813875 [0,2,0,0,0,0|1,0,1]=4 1895 B13R0.337 CCCCCCCC(=O)C(F)C(=O)[O-] 1458a_100000211969_100020610796 [0,2,0,0,0,0|0,0,2]=4 1896 B13R0.337 CCCCCCCN(C)C(=O)C(=O)N 240690a_100000228206_100011215815 [0,2,0,0,0,0|2,0,0]=4 1897 B13R0.337 CCCCCCCN(C)C(C)C(=O)O 269956a_100000749554_100000210614 [0,2,0,0,0,0|1,0,1]=4 1898 B13R0.438 CCCCCCC(C)C(=O)C=C(C)C 1458a_100000211388_100011215978 [0,2,0,0,0,0|2,0,0]=4 1899 B13R0.438 CCCCCCC(C)C(=O)C=C(C)Cl 1458a_200042562850_100011215978 [0,2,0,0,0,0|2,0,0]=4 1900 B13R0.438 CCCCCCC(C)C(=O)C=C(C)I 1458a_100025716642_100011215978 [0,2,0,0,0,0|2,0,0]=4 1901 B13R0.438 CCCCCCC(C)C(=O)C=C(Cl)Cl 1458a_100000137448_100011215978 [0,2,0,0,0,0|2,0,0]=4 1902 B13R0.438 CCCCCCC(C)C(=O)CC(=O)N 1458a_100134613110_100011215978 [0,2,0,0,0,0|1,0,1]=4 1903 B13R0.438 CCCCCCC(C)N(C)CC(=O)O 269956a_100000746989_100011215978 [0,2,0,0,0,0|1,0,1]=4 1904 B13R0.438 CCCCCCC(O)C(=O)CC(=O)N 1458a_100011215828_100000187820 [0,2,0,0,0,0|1,0,1]=4 1905 B13R0.438 CCCCCCC(O)C(=O)CC(=O)[O-] 1458a_100011215828_100020667443 [0,2,0,0,0,0|0,0,2]=4 1906 B13R0.113 CCCCC(C)NC/C=C/C(=O)OC 2230a_100000126638_100000742655 [0,2,0,0,0,0|1,0,0]=3 1907 B13R0.113 CCCCC(C)OC/C=C/C(=O)OC 34a_100000687866_100000742655 [0,2,0,0,0,0|1,0,0]=3 1908 B13R0.113 CCCCC(C)OC/C=C/C(=O)OC 7a_100000687866_100000742655 [0,2,0,0,0,0|1,0,0]=3 1909 B13R0.113 CCCCC(C)SC/C=C/C(=O)OC 62a_100000742655_200011215066 [0,2,0,0,0,0|1,0,0]=3 1910 B13R0.113 CCCCC(C)SC/C=C/C(=O)OC 62a_200011215066_100000742655 [0,2,0,0,0,0|1,0,0]=3 1911 B13R0.113 CCOCC(C)OC/C=C/C(=O)OC 34a_100000718985_100000742655 [0,2,0,0,0,0|2,0,0]=4 1912 B13R0.113 CCOCC(C)OC/C=C/C(=O)OC 7a_100000718985_100000742655 [0,2,0,0,0,0|2,0,0]=4 1913 B13R0.113 COC(=O)/C=C/COC(C)CCCCl 34a_200000718107_100000742655 [0,2,0,0,0,0|2,0,0]=4 1914 B13R0.113 COC(=O)/C=C/COC(C)CCCCl 7a_200000718107_100000742655 [0,2,0,0,0,0|2,0,0]=4 1915 B13R0.188 CCCCCC(C)NC/C=C/B(O)O 2230a_100000211957_100016262062 [0,2,0,0,0,0|1,0,1]=4 1916 B13R0.188 CCCCCC(C)OC/C=C/B(O)O 34a_100011215632_100016262062 [0,2,0,0,0,0|1,0,1]=4 1917 B13R0.188 CCCCCC(C)OC/C=C/B(O)O 7a_100011215632_100016262062 [0,2,0,0,0,0|1,0,1]=4 1918 B13R0.188 CCCCCC(C)SC/C=C/B(O)O 62a_100016262062_200011218191 [0,2,0,0,0,0|1,0,1]=4 1919 B13R0.188 CCCCCC(C)SC/C=C/B(O)O 62a_200011218191_100016262062 [0,2,0,0,0,0|1,0,1]=4 1920 B13R0.442 CC(C)(O)CCCCCNCC(=O)O 269956a_100016091260_100010402123 [0,2,0,0,0,0|1,0,1]=4 1921 B13R0.88 CCCC(C)CCOC/C=C/B(O)O 34a_100011217855_100016262062 [0,2,0,0,0,0|1,0,1]=4 1922 B13R0.88 CCCC(C)CCOC/C=C/B(O)O 7a_100011217855_100016262062 [0,2,0,0,0,0|1,0,1]=4 1923 B13R0.88 CCCC(C)CNCCOCC(=O)O 269956a_100000700818_100011216630 [0,2,0,0,0,0|1,0,1]=4 1924 B13R0.88 CCCC(C)NCCC/C=C/B(O)O 2230a_100000741246_200016261450 [0,2,0,0,0,0|1,0,1]=4 1925 B13R0.88 CCCC(C)OCCC/C=C/B(O)O 34a_100000764384_200016261450 [0,2,0,0,0,0|1,0,1]=4 1926 B13R0.88 CCCC(C)OCCC/C=C/B(O)O 7a_100000764384_200016261450 [0,2,0,0,0,0|1,0,1]=4 1927 B13R0.88 CCCC(C)SCCC/C=C/B(O)O 62a_100000766640_200016261450 [0,2,0,0,0,0|1,0,1]=4 1928 B13R0.88 CCCC(C)SCCC/C=C/B(O)O 62a_200016261450_100000766640 [0,2,0,0,0,0|1,0,1]=4 1929 B13R0.88 CCC[C@H](N)CCOC/C=C/B(O)O 34a_100015193777_100016262062 [0,2,0,0,0,0|1,0,1]=4 1930 B13R0.180 CC(C)CCCCCNC(=O)C(=O)N 240690a_100011290863_100011215815 [0,2,0,0,0,0|2,0,0]=4 1931 B13R0.180 CC(C)CCCCCN[C@@H](C)C(=O)O 269956a_100000743915_100000210682 [0,2,0,0,0,0|1,0,1]=4 1932 B13R0.201 CCC(C)CCNC/C=C/C(=O)OC 2230a_100020591266_100000742655 [0,2,0,0,0,0|1,0,0]=3 1933 B13R0.201 CCC(C)CCOC/C=C/C(=O)OC 7a_100011215188_100000742655 [0,2,0,0,0,0|1,0,0]=3 1934 B13R0.201 COC(=O)/C=C/CNCCC(C)CO 2230a_106354213184_100000742655 [0,2,0,0,0,0|2,0,0]=4 1935 B13R0.201 COC(=O)/C=C/CNCCC(C)CO 34a_106354213184_100000742655 [0,2,0,0,0,0|2,0,0]=4 1936 B13R0.201 COC(=O)/C=C/COCCC(C)OC 7a_100000764861_100000742655 [0,2,0,0,0,0|2,0,0]=4 1937 B13R0.1 CCCCCCC(=O)C/C=C/B(O)O 1458a_100102632555_100016262062 [0,2,0,0,0,0|1,0,1]=4 1938 B13R0.1 CCCCCCC(C)NOCC(=O)O 269956a_100000106656_100011215978 [0,2,0,0,0,0|1,0,1]=4 1939 B13R0.1 CCCCCCN(C)C/C=C/B(O)O 2230a_106256046315_100016262062 [0,2,0,0,0,0|1,0,1]=4 1940 B13R0.1 CCCCCCN(C)C/C=C/B(O)O 269982a_106256046315_100016262062 [0,2,0,0,0,0|1,0,1]=4 1941 B13R0.1 CCCCCCN(C)CCCC(=O)O 269956a_100000719178_100000210757 [0,2,0,0,0,0|0,0,2]=4 1942 B13R0.194 CCCCCN(C)C/C=C/C(=O)OC 2230a_100000223495_100000742655 [0,2,0,0,0,0|1,0,0]=3 1943 B13R0.194 CCCCCN(C)C/C=C/C(=O)OC 269982a_100000223495_100000742655 [0,2,0,0,0,0|1,0,0]=3 1944 B13R0.194 COC(=O)/C=C/CN(C)CCCCO 2230a_100000717598_100000742655 [0,2,0,0,0,0|2,0,0]=4 1945 B13R0.194 COC(=O)/C=C/CN(C)CCCCO 269982a_100000717598_100000742655 [0,2,0,0,0,0|2,0,0]=4 1946 B13R0.194 COCCCN(C)C/C=C/C(=O)OC 2230a_100000224831_100000742655 [0,2,0,0,0,0|2,0,0]=4 1947 B13R0.194 COCCCN(C)C/C=C/C(=O)OC 269982a_100000224831_100000742655 [0,2,0,0,0,0|2,0,0]=4 1948 B13R0.54 C#CCCCCCCCNCC(=O)O 269956a_100016091260_100153394163 [0,2,0,0,0,0|1,0,1]=4 1949 B13R0.54 C=CCCCCCCCNCC(=O)O 269956a_100016091260_100012355270 [0,2,0,0,0,0|1,0,1]=4 1950 B13R0.54 CCCCC#CCCCNCC(=O)O 269956a_100016091260_200000047210 [0,2,0,0,0,0|1,0,1]=4 1951 B13R0.54 CCCCCCC=CC=NNC(=O)C 4a_100000189765_100016264548 [0,2,0,0,0,0|1,0,1]=4 1952 B13R0.54 CCCCCCCCC=NNC(=O)C 4a_100000189765_100011218696 [0,2,0,0,0,0|1,0,1]=4 1953 B13R0.54 CCCCCCCCCC=CC(=O)C 1458a_200015352897_200000210301 [0,2,0,0,0,0|1,0,0]=3 1954 B13R0.54 CCCCCCCCCC=CC(=O)[13CH3] 1458a_200015352897_200025704644 [0,2,0,0,0,0|1,0,0]=3 1955 B13R0.54 CCCCCCCCCNCC(=O)O 269956a_100016091260_100000210670 [0,2,0,0,0,0|0,0,2]=4 1956 B13R0.54 CCCCCCCCNOCC(=O)O 269956a_100000106656_100000210759 [0,2,0,0,0,0|0,0,2]=4 1957 B13R0.54 CCCCCCCNC/C=C/B(O)O 2230a_100000229938_100016262062 [0,2,0,0,0,0|1,0,1]=4 1958 B13R0.54 CCCCCCCOC/C=C/B(O)O 34a_100000210272_100016262062 [0,2,0,0,0,0|1,0,1]=4 1959 B13R0.54 CCCCCCCOC/C=C/B(O)O 7a_100000210272_100016262062 [0,2,0,0,0,0|1,0,1]=4 1960 B13R0.54 CCCCCCCSC/C=C/B(O)O 62a_100000210614_100016262062 [0,2,0,0,0,0|1,0,1]=4 1961 B13R0.54 CCCCCCCSC/C=C/B(O)O 62a_100016262062_100000210316 [0,2,0,0,0,0|1,0,1]=4 1962 B13R0.54 CCCCCCNCCOCC(=O)O 269956a_100000700818_100000210757 [0,2,0,0,0,0|0,0,2]=4 1963 B13R0.54 CCCCCNCCC/C=C/B(O)O 2230a_100000209983_200016261450 [0,2,0,0,0,0|1,0,1]=4 1964 B13R0.54 CCCCCOCCC/C=C/B(O)O 34a_100000210253_200016261450 [0,2,0,0,0,0|1,0,1]=4 1965 B13R0.54 CCCCCOCCC/C=C/B(O)O 7a_100000210253_200016261450 [0,2,0,0,0,0|1,0,1]=4 1966 B13R0.54 CCCCCSCCC/C=C/B(O)O 62a_100000210326_200016261450 [0,2,0,0,0,0|1,0,1]=4 1967 B13R0.54 CCCCCSCCC/C=C/B(O)O 62a_200016261450_100000210326 [0,2,0,0,0,0|1,0,1]=4 1968 B13R0.54 CCCCOCCOC/C=C/B(O)O 34a_100000210238_100016262062 [0,2,0,0,0,0|1,0,1]=4 1969 B13R0.54 CCCCOCCOC/C=C/B(O)O 7a_100000210238_100016262062 [0,2,0,0,0,0|1,0,1]=4 1970 B13R0.54 CCCCOCCSC/C=C/B(O)O 62a_100000743108_100016262062 [0,2,0,0,0,0|1,0,1]=4 1971 B13R0.54 CCCCOCCSC/C=C/B(O)O 62a_100016262062_100000743108 [0,2,0,0,0,0|1,0,1]=4 1972 B13R0.54 CCCCOCNCCOCC(=O)O 269956a_100000700818_100011995733 [0,2,0,0,0,0|1,0,1]=4 1973 B13R0.54 CCCCSCCNC/C=C/B(O)O 2230a_100025743550_100016262062 [0,2,0,0,0,0|1,0,1]=4 1974 B13R0.54 CCCCSCCOC/C=C/B(O)O 34a_200000230436_100016262062 [0,2,0,0,0,0|1,0,1]=4 1975 B13R0.54 CCCCSCCOC/C=C/B(O)O 7a_200000230436_100016262062 [0,2,0,0,0,0|1,0,1]=4 1976 B13R0.54 CCCNCCOCCOCC(=O)O 269956a_100009854275_100000210207 [0,2,0,0,0,0|1,0,1]=4 1977 B13R0.54 CCCOCCCNC/C=C/B(O)O 2230a_100011217757_100016262062 [0,2,0,0,0,0|1,0,1]=4 1978 B13R0.54 CCCOCCCNC/C=C/B(O)O 34a_100011217757_100016262062 [0,2,0,0,0,0|1,0,1]=4 1979 B13R0.54 CCCOCCNCCOCC(=O)O 269956a_100000700818_100011215938 [0,2,0,0,0,0|1,0,1]=4 1980 B13R0.54 CCOCCCNCCOCC(=O)O 269956a_100000700818_100012232248 [0,2,0,0,0,0|1,0,1]=4 1981 B13R0.54 CCOCCNCCC/C=C/B(O)O 2230a_102516460346_200016261450 [0,2,0,0,0,0|1,0,1]=4 1982 B13R0.54 CCOCCNCCC/C=C/B(O)O 34a_102516460346_200016261450 [0,2,0,0,0,0|1,0,1]=4 1983 B13R0.54 CCOCCOCCC/C=C/B(O)O 34a_100000210136_200016261450 [0,2,0,0,0,0|1,0,1]=4 1984 B13R0.54 CCOCCOCCC/C=C/B(O)O 7a_100000210136_200016261450 [0,2,0,0,0,0|1,0,1]=4 1985 B13R0.54 CCOCCSCCC/C=C/B(O)O 62a_100000210147_200016261450 [0,2,0,0,0,0|1,0,1]=4 1986 B13R0.54 CCOCCSCCC/C=C/B(O)O 62a_200016261450_100011215890 [0,2,0,0,0,0|1,0,1]=4 1987 B13R0.54 CCSCCNCCC/C=C/B(O)O 2230a_100000106463_200016261450 [0,2,0,0,0,0|1,0,1]=4 1988 B13R0.54 CCSCCOCCC/C=C/B(O)O 34a_100000212035_200016261450 [0,2,0,0,0,0|1,0,1]=4 1989 B13R0.54 CCSCCOCCC/C=C/B(O)O 7a_100000212035_200016261450 [0,2,0,0,0,0|1,0,1]=4 1990 B13R0.54 CCSCCSCCC/C=C/B(O)O 62a_100000757381_200016261450 [0,2,0,0,0,0|1,0,1]=4 1991 B13R0.54 CCSCCSCCC/C=C/B(O)O 62a_200016261450_100000757381 [0,2,0,0,0,0|1,0,1]=4 1992 B13R0.54 CNCCCCCOC/C=C/B(O)O 34a_100000722520_100016262062 [0,2,0,0,0,0|1,0,1]=4 1993 B13R0.54 CNCCCOCCC/C=C/B(O)O 34a_100000213112_200016261450 [0,2,0,0,0,0|1,0,1]=4 1994 B13R0.54 COCCCCCCNOCC(=O)O 269956a_100000106656_100011998445 [0,2,0,0,0,0|1,0,1]=4 1995 B13R0.54 COCCCCCNC/C=C/B(O)O 2230a_100000747528_100016262062 [0,2,0,0,0,0|1,0,1]=4 1996 B13R0.54 COCCCCCNC/C=C/B(O)O 34a_100000747528_100016262062 [0,2,0,0,0,0|1,0,1]=4 1997 B13R0.54 COCCCCNCCOCC(=O)O 269956a_100000700818_100000730899 [0,2,0,0,0,0|1,0,1]=4 1998 B13R0.54 COCCCNCCC/C=C/B(O)O 34a_100150723488_200016261450 [0,2,0,0,0,0|1,0,1]=4 1999 B13R0.54 COCCCOCCC/C=C/B(O)O 34a_100000740835_200016261450 [0,2,0,0,0,0|1,0,1]=4 2000 B13R0.54 COCCCSCCC/C=C/B(O)O 62a_100000709357_200016261450 [0,2,0,0,0,0|1,0,1]=4 2001 B13R0.54 COCCCSCCC/C=C/B(O)O 62a_200016261450_100000709357 [0,2,0,0,0,0|1,0,1]=4 2002 B13R0.54 CSCCCNCCC/C=C/B(O)O 2230a_100000749238_200016261450 [0,2,0,0,0,0|1,0,1]=4 2003 B13R0.54 CSCCCOCCC/C=C/B(O)O 34a_100000690336_200016261450 [0,2,0,0,0,0|1,0,1]=4 2004 B13R0.54 CSCCCOCCC/C=C/B(O)O 7a_100000690336_200016261450 [0,2,0,0,0,0|1,0,1]=4 2005 B13R0.54 NCCCCCCOC/C=C/B(O)O 34a_100000686447_100016262062 [0,2,0,0,0,0|1,0,1]=4 2006 B13R0.54 NCCCCOCCC/C=C/B(O)O 34a_100000750430_200016261450 [0,2,0,0,0,0|1,0,1]=4 2007 B13R0.54 O=C(O)CNCCCCCCCCO 269956a_100016091260_100000033203 [0,2,0,0,0,0|0,0,2]=4 2008 B13R0.54 O=C(O)COCCNCCCCCF 269956a_100000700818_100000729378 [0,2,0,0,0,0|1,0,1]=4 2009 B13R0.54 O=C(O)COCCNCCCCCO 269956a_100000700818_100000746330 [0,2,0,0,0,0|1,0,1]=4 2010 B13R0.54 O=C(O)CONCCCCCCCO 269956a_100000106656_100000760002 [0,2,0,0,0,0|1,0,1]=4 2011 B13R0.54 OB(O)/C=C/CCCOCCCCBr 34a_100011216708_200016261450 [0,2,0,0,0,0|1,0,1]=4 2012 B13R0.54 OB(O)/C=C/CCCOCCCCCl 34a_100000210776_200016261450 [0,2,0,0,0,0|1,0,1]=4 2013 B13R0.54 OB(O)/C=C/CCCOCCCCCl 7a_100000210776_200016261450 [0,2,0,0,0,0|1,0,1]=4 2014 B13R0.54 OB(O)/C=C/CCCOCCCCF 34a_100011995726_200016261450 [0,2,0,0,0,0|1,0,1]=4 2015 B13R0.54 OB(O)/C=C/CCCOCCCCF 7a_100011995726_200016261450 [0,2,0,0,0,0|1,0,1]=4 2016 B13R0.54 OB(O)/C=C/CCCOCCCCI 34a_200012148704_200016261450 [0,2,0,0,0,0|1,0,1]=4 2017 B13R0.54 OB(O)/C=C/CCCSCCCCF 62a_100000729493_200016261450 [0,2,0,0,0,0|1,0,1]=4 2018 B13R0.54 OB(O)/C=C/CCCSCCCCF 62a_200016261450_100000729493 [0,2,0,0,0,0|1,0,1]=4 2019 B13R0.54 OB(O)/C=C/COCCCCCCBr 34a_100011215345_100016262062 [0,2,0,0,0,0|1,0,1]=4 2020 B13R0.54 OB(O)/C=C/COCCCCCCBr 7a_100011215345_100016262062 [0,2,0,0,0,0|1,0,1]=4 2021 B13R0.54 OB(O)/C=C/COCCCCCCCl 34a_100000766143_100016262062 [0,2,0,0,0,0|1,0,1]=4 2022 B13R0.54 OB(O)/C=C/COCCCCCCCl 7a_100000766143_100016262062 [0,2,0,0,0,0|1,0,1]=4 2023 B13R0.54 OB(O)/C=C/COCCCCCCF 34a_100000732779_100016262062 [0,2,0,0,0,0|1,0,1]=4 2024 B13R0.54 OB(O)/C=C/COCCCCCCF 7a_100000732779_100016262062 [0,2,0,0,0,0|1,0,1]=4 2025 B13R0.54 OB(O)/C=C/CSCCCCCCF 62a_100015922095_100016262062 [0,2,0,0,0,0|1,0,1]=4 2026 B13R0.54 OB(O)/C=C/CSCCCCCCF 62a_100016262062_100015922095 [0,2,0,0,0,0|1,0,1]=4 2027 B13R0.54 OCCCCCCNC/C=C/B(O)O 2230a_100000686447_100016262062 [0,2,0,0,0,0|1,0,1]=4 2028 B13R0.54 OCCCCCCNC/C=C/B(O)O 34a_100000686447_100016262062 [0,2,0,0,0,0|1,0,1]=4 2029 B13R0.54 OCCCCCCSC/C=C/B(O)O 62a_100000766143_100016262062 [0,2,0,0,0,0|1,0,1]=4 2030 B13R0.54 OCCCCCCSC/C=C/B(O)O 62a_100016262062_100000766143 [0,2,0,0,0,0|1,0,1]=4 2031 B13R0.54 OCCCCNCCC/C=C/B(O)O 2230a_100000750430_200016261450 [0,2,0,0,0,0|1,0,1]=4 2032 B13R0.54 OCCCCNCCC/C=C/B(O)O 34a_100000750430_200016261450 [0,2,0,0,0,0|1,0,1]=4 2033 B13R0.54 OCCCCSCCC/C=C/B(O)O 62a_100000210776_200016261450 [0,2,0,0,0,0|1,0,1]=4 2034 B13R0.54 OCCCCSCCC/C=C/B(O)O 62a_200016261450_100000210776 [0,2,0,0,0,0|1,0,1]=4 2035 B13R0.119 CCCCC(C)COC/C=C/B(O)O 34a_100011995851_100016262062 [0,2,0,0,0,0|1,0,1]=4 2036 B13R0.119 CCCCC(C)COC/C=C/B(O)O 7a_100011995851_100016262062 [0,2,0,0,0,0|1,0,1]=4 2037 B13R0.119 CCCCC(C)NCCOCC(=O)O 269956a_100000700818_200011215066 [0,2,0,0,0,0|1,0,1]=4 2038 B13R0.119 CCCCN(C)CCC/C=C/B(O)O 2230a_100000207549_200016261450 [0,2,0,0,0,0|1,0,1]=4 2039 B13R0.119 CCCCN(C)CCC/C=C/B(O)O 269982a_100000207549_200016261450 [0,2,0,0,0,0|1,0,1]=4 2040 B13R0.119 CCCC[C@H](N)COC/C=C/B(O)O 34a_100011934283_100016262062 [0,2,0,0,0,0|1,0,1]=4 2041 B13R0.147 C#CCCCCNC/C=C/C(=O)OC 2230a_100000706060_100000742655 [0,2,0,0,0,0|0,0,2]=4 2042 B13R0.147 C#CCCCCNC/C=C/C(=O)OC 34a_100000706060_100000742655 [0,2,0,0,0,0|0,0,2]=4 2043 B13R0.147 C#CCCCCOC/C=C/C(=O)OC 34a_100000766709_100000742655 [0,2,0,0,0,0|0,0,2]=4 2044 B13R0.147 C#CCCCCOC/C=C/C(=O)OC 7a_100000766709_100000742655 [0,2,0,0,0,0|0,0,2]=4 2045 B13R0.147 C#CCCCCSC/C=C/C(=O)OC 62a_100000742655_100010269958 [0,2,0,0,0,0|0,0,2]=4 2046 B13R0.147 C#CCCCCSC/C=C/C(=O)OC 62a_100010269958_100000742655 [0,2,0,0,0,0|0,0,2]=4 2047 B13R0.147 C=CCCCCNC/C=C/C(=O)OC 2230a_100000703577_100000742655 [0,2,0,0,0,0|0,0,2]=4 2048 B13R0.147 C=CCCCCNC/C=C/C(=O)OC 34a_100000703577_100000742655 [0,2,0,0,0,0|0,0,2]=4 2049 B13R0.147 C=CCCCCOC/C=C/C(=O)OC 34a_100000766645_100000742655 [0,2,0,0,0,0|0,0,2]=4 2050 B13R0.147 C=CCCCCOC/C=C/C(=O)OC 7a_100000766645_100000742655 [0,2,0,0,0,0|0,0,2]=4 2051 B13R0.147 C=CCCCCSC/C=C/C(=O)OC 62a_100000742655_100011215482 [0,2,0,0,0,0|0,0,2]=4 2052 B13R0.147 C=CCCCCSC/C=C/C(=O)OC 62a_100011215482_100000742655 [0,2,0,0,0,0|0,0,2]=4 2053 B13R0.147 CC/C=C\CCOC/C=C/C(=O)OC 34a_100016288707_100000742655 [0,2,0,0,0,0|0,0,2]=4 2054 B13R0.147 CC/C=C\CCOC/C=C/C(=O)OC 7a_100016288707_100000742655 [0,2,0,0,0,0|0,0,2]=4 2055 B13R0.147 CC/C=C\CCSC/C=C/C(=O)OC 62a_100000742655_100015370543 [0,2,0,0,0,0|0,0,2]=4 2056 B13R0.147 CC/C=C\CCSC/C=C/C(=O)OC 62a_100015370543_100000742655 [0,2,0,0,0,0|0,0,2]=4 2057 B13R0.147 CC=CCCCOC/C=C/C(=O)OC 34a_100020645299_100000742655 [0,2,0,0,0,0|0,0,2]=4 2058 B13R0.147 CCC#CCCOC/C=C/C(=O)OC 34a_100000036655_100000742655 [0,2,0,0,0,0|0,0,2]=4 2059 B13R0.147 CCC#CCCOC/C=C/C(=O)OC 7a_100000036655_100000742655 [0,2,0,0,0,0|0,0,2]=4 2060 B13R0.147 CCC/C=C/COC/C=C/C(=O)OC 34a_100016278788_100000742655 [0,2,0,0,0,0|0,0,2]=4 2061 B13R0.147 CCC/C=C/COC/C=C/C(=O)OC 7a_100016278788_100000742655 [0,2,0,0,0,0|0,0,2]=4 2062 B13R0.147 CCCC#CCOC/C=C/C(=O)OC 34a_100000034806_100000742655 [0,2,0,0,0,0|0,0,2]=4 2063 B13R0.147 CCCC#CCOC/C=C/C(=O)OC 7a_100000034806_100000742655 [0,2,0,0,0,0|0,0,2]=4 2064 B13R0.147 CCCCCCCC=NNC(=O)CC 4a_100000183195_100000210592 [0,2,0,0,0,0|2,0,0]=4 2065 B13R0.147 CCCCCCCCC=CC(=O)CC 1458a_100015345288_100000210202 [0,2,0,0,0,0|1,0,0]=3 2066 B13R0.147 CCCCCCCCC=CC(=O)CF 1458a_100015345288_100015361967 [0,2,0,0,0,0|1,0,0]=3 2067 B13R0.147 CCCCCCCCC=CC(=O)NC 11a_106832991635_100015345288 [0,2,0,0,0,0|1,0,0]=3 2068 B13R0.147 CCCCCCCCC=CC(=O)NC 1626a_100102657272_100015345288 [0,2,0,0,0,0|1,0,0]=3 2069 B13R0.147 CCCCCCCCC=CC(=O)NC 240690a_100102657272_100015345288 [0,2,0,0,0,0|1,0,0]=3 2070 B13R0.147 CCCCCCCCCCC(=O)CO 1458a_100000210174_100000210319 [0,2,0,0,0,0|0,0,2]=4 2071 B13R0.147 CCCCCCCCCNC(=O)CO 240690a_100000212291_100000210174 [0,2,0,0,0,0|0,0,2]=4 2072 B13R0.147 CCCCCCCCCNC(=O)CO 527a_100000212291_100000210174 [0,2,0,0,0,0|0,0,2]=4 2073 B13R0.147 CCCCCCCCNCC(=O)OC 2230a_100000229939_100000747449 [0,2,0,0,0,0|0,0,2]=4 2074 B13R0.147 CCCCCCCCNCC(=O)OC 34a_100000229939_100000747449 [0,2,0,0,0,0|0,0,2]=4 2075 B13R0.147 CCCCCCCCOCC(=O)OC 34a_100000210232_100000747449 [0,2,0,0,0,0|0,0,2]=4 2076 B13R0.147 CCCCCCCCOCC(=O)OC 7a_100000210232_100000747449 [0,2,0,0,0,0|0,0,2]=4 2077 B13R0.147 CCCCCCCCSCC(=O)OC 62a_100000210759_100000747449 [0,2,0,0,0,0|0,0,2]=4 2078 B13R0.147 CCCCCCCCSCC(=O)OC 62a_100000747449_100000210317 [0,2,0,0,0,0|0,0,2]=4 2079 B13R0.147 CCCCCCCNCCC(=O)OC 2230a_100000229938_100000204255 [0,2,0,0,0,0|0,0,2]=4 2080 B13R0.147 CCCCCCCOCCC(=O)OC 34a_100000210272_100000742370 [0,2,0,0,0,0|0,0,2]=4 2081 B13R0.147 CCCCCCCOCCC(=O)OC 7a_100000210272_100000204255 [0,2,0,0,0,0|0,0,2]=4 2082 B13R0.147 CCCCCCCSCCC(=O)OC 62a_100000204255_100000210316 [0,2,0,0,0,0|0,0,2]=4 2083 B13R0.147 CCCCCCCSCCC(=O)OC 62a_100000210614_100000204255 [0,2,0,0,0,0|0,0,2]=4 2084 B13R0.147 CCCCCCCSCOC(=O)OC 62a_100000210614_100000139417 [0,2,0,0,0,0|1,0,1]=4 2085 B13R0.147 CCCCCCNC/C=C/C(=O)OC 2230a_100000210581_100000742655 [0,2,0,0,0,0|0,0,0]=2 2086 B13R0.147 CCCCCCNCCCC(=O)OC 2230a_100000210581_100011218270 [0,2,0,0,0,0|0,0,2]=4 2087 B13R0.147 CCCCCCOC/C=C/C(=O)OC 34a_100000210259_100000742655 [0,2,0,0,0,0|0,0,0]=2 2088 B13R0.147 CCCCCCOC/C=C/C(=O)OC 7a_100000210259_100000742655 [0,2,0,0,0,0|0,0,0]=2 2089 B13R0.147 CCCCCCOCCCC(=O)OC 34a_100000210259_100000742333 [0,2,0,0,0,0|0,0,2]=4 2090 B13R0.147 CCCCCCOCCCC(=O)OC 7a_100000210259_100011218270 [0,2,0,0,0,0|0,0,2]=4 2091 B13R0.147 CCCCCCOCCNC(=O)OC 34a_100000757965_100000210314 [0,2,0,0,0,0|1,0,1]=4 2092 B13R0.147 CCCCCCOCCOC(=O)OC 34a_100010262106_100000210314 [0,2,0,0,0,0|1,0,1]=4 2093 B13R0.147 CCCCCCSC/C=C/C(=O)OC 62a_100000210314_100000742655 [0,2,0,0,0,0|0,0,0]=2 2094 B13R0.147 CCCCCCSC/C=C/C(=O)OC 62a_100000742655_100000210757 [0,2,0,0,0,0|0,0,0]=2 2095 B13R0.147 CCCCCCSCCCC(=O)OC 62a_100000210314_100011218270 [0,2,0,0,0,0|0,0,2]=4 2096 B13R0.147 CCCCCCSCCCC(=O)OC 62a_100011218270_100000210757 [0,2,0,0,0,0|0,0,2]=4 2097 B13R0.147 CCCCCNCCCCC(=O)OC 2230a_100000209983_100000204269 [0,2,0,0,0,0|0,0,2]=4 2098 B13R0.147 CCCCCNCCOCC(=O)OC 2230a_100000209983_100000090808 [0,2,0,0,0,0|1,0,1]=4 2099 B13R0.147 CCCCCNCCOCC(=O)OC 34a_100000224656_100000747449 [0,2,0,0,0,0|1,0,1]=4 2100 B13R0.147 CCCCCNN=CC=CC(=O)OC 4a_100000694160_100016254430 [0,2,0,0,0,0|1,0,1]=4 2101 B13R0.147 CCCCCOCCCCC(=O)OC 34a_100000059025_100000718602 [0,2,0,0,0,0|0,0,2]=4 2102 B13R0.147 CCCCCOCCCCC(=O)OC 34a_100000210253_100000204269 [0,2,0,0,0,0|0,0,2]=4 2103 B13R0.147 CCCCCOCCCCC(=O)OC 7a_100000059025_100000210326 [0,2,0,0,0,0|0,0,2]=4 2104 B13R0.147 CCCCCOCCCCC(=O)OC 7a_100000210253_100000204269 [0,2,0,0,0,0|0,0,2]=4 2105 B13R0.147 CCCCCOCCOCC(=O)OC 34a_100000210253_100000090808 [0,2,0,0,0,0|1,0,1]=4 2106 B13R0.147 CCCCCOCCOCC(=O)OC 34a_100011215259_100000747449 [0,2,0,0,0,0|1,0,1]=4 2107 B13R0.147 CCCCCOCCOCC(=O)OC 7a_100000210253_100000090808 [0,2,0,0,0,0|1,0,1]=4 2108 B13R0.147 CCCCCOCCOCC(=O)OC 7a_100011215259_100000747449 [0,2,0,0,0,0|1,0,1]=4 2109 B13R0.147 CCCCCSCCCCC(=O)OC 62a_100000204269_100000210326 [0,2,0,0,0,0|0,0,2]=4 2110 B13R0.147 CCCCCSCCCCC(=O)OC 62a_100000210326_100000204269 [0,2,0,0,0,0|0,0,2]=4 2111 B13R0.147 CCCCCSCCOCC(=O)OC 62a_100000090808_100000210326 [0,2,0,0,0,0|1,0,1]=4 2112 B13R0.147 CCCCCSCCOCC(=O)OC 62a_100000210326_100000090808 [0,2,0,0,0,0|1,0,1]=4 2113 B13R0.147 CCCCNCCCCCC(=O)OC 2230a_100000102301_100009816466 [0,2,0,0,0,0|0,0,2]=4 2114 B13R0.147 CCCCNCCCCCC(=O)OC 7a_106832991798_100009816466 [0,2,0,0,0,0|0,0,2]=4 2115 B13R0.147 CCCCOCCCCCC(=O)OC 34a_100000074720_100000210210 [0,2,0,0,0,0|0,0,2]=4 2116 B13R0.147 CCCCOCCCCCC(=O)OC 34a_100000210227_100009816466 [0,2,0,0,0,0|0,0,2]=4 2117 B13R0.147 CCCCOCCCCCC(=O)OC 7a_100000074720_100000210211 [0,2,0,0,0,0|0,0,2]=4 2118 B13R0.147 CCCCOCCCCCC(=O)OC 7a_100000210227_100009816466 [0,2,0,0,0,0|0,0,2]=4 2119 B13R0.147 CCCCOCCCNCC(=O)OC 2230a_200000211371_100000747449 [0,2,0,0,0,0|1,0,1]=4 2120 B13R0.147 CCCCOCCCNCC(=O)OC 34a_200000211371_100000747449 [0,2,0,0,0,0|1,0,1]=4 2121 B13R0.147 CCCCOCCCOCC(=O)OC 34a_200011215613_100000747449 [0,2,0,0,0,0|1,0,1]=4 2122 B13R0.147 CCCCOCCCOCC(=O)OC 7a_200011215613_100000747449 [0,2,0,0,0,0|1,0,1]=4 2123 B13R0.147 CCCCOCSC/C=C/C(=O)OC 62a_100000742655_100011995733 [0,2,0,0,0,0|1,0,0]=3 2124 B13R0.147 CCCCOCSC/C=C/C(=O)OC 62a_100011995733_100000742655 [0,2,0,0,0,0|1,0,0]=3 2125 B13R0.147 CCCCSCCCCCC(=O)OC 62a_100000210211_100009816466 [0,2,0,0,0,0|0,0,2]=4 2126 B13R0.147 CCCCSCCCCCC(=O)OC 62a_100009816466_100000210210 [0,2,0,0,0,0|0,0,2]=4 2127 B13R0.147 CCCOCCCCCCC(=O)OC 34a_100000210258_100009815986 [0,2,0,0,0,0|0,0,2]=4 2128 B13R0.147 CCCOCCCCCCC(=O)OC 34a_100009863599_100000210303 [0,2,0,0,0,0|0,0,2]=4 2129 B13R0.147 CCCOCCCCCCC(=O)OC 7a_100009863599_100000210303 [0,2,0,0,0,0|0,0,2]=4 2130 B13R0.147 CCCOCCNC/C=C/C(=O)OC 2230a_100161115042_100000742655 [0,2,0,0,0,0|1,0,0]=3 2131 B13R0.147 CCCOCCNC/C=C/C(=O)OC 34a_100161115042_100000742655 [0,2,0,0,0,0|1,0,0]=3 2132 B13R0.147 CCCOCCOC/C=C/C(=O)OC 34a_100000752267_100000742655 [0,2,0,0,0,0|1,0,0]=3 2133 B13R0.147 CCCOCCOC/C=C/C(=O)OC 7a_100000752267_100000742655 [0,2,0,0,0,0|1,0,0]=3 2134 B13R0.147 CCCOCCSC/C=C/C(=O)OC 62a_100000742655_100011215938 [0,2,0,0,0,0|1,0,0]=3 2135 B13R0.147 CCCOCCSC/C=C/C(=O)OC 62a_100011215938_100000742655 [0,2,0,0,0,0|1,0,0]=3 2136 B13R0.147 CCCSCCCCCCC(=O)OC 62a_100000210303_100009815986 [0,2,0,0,0,0|0,0,2]=4 2137 B13R0.147 CCCSCCCCCCC(=O)OC 62a_100009815986_100000210303 [0,2,0,0,0,0|0,0,2]=4 2138 B13R0.147 CCCSCCNC/C=C/C(=O)OC 2230a_100020603323_100000742655 [0,2,0,0,0,0|1,0,0]=3 2139 B13R0.147 CCCSCCOC/C=C/C(=O)OC 34a_200000230433_100000742655 [0,2,0,0,0,0|1,0,0]=3 2140 B13R0.147 CCCSCCOC/C=C/C(=O)OC 7a_200000230433_100000742655 [0,2,0,0,0,0|1,0,0]=3 2141 B13R0.147 CCNCCCCCCCC(=O)OC 2230a_100015525214_100010004213 [0,2,0,0,0,0|0,0,2]=4 2142 B13R0.147 CCOCCCCCCCC(=O)OC 34a_100011022521_100000210202 [0,2,0,0,0,0|0,0,2]=4 2143 B13R0.147 CCOCCCCCCCC(=O)OC 34a_100121572206_100010004213 [0,2,0,0,0,0|0,0,2]=4 2144 B13R0.147 CCOCCCCCCCC(=O)OC 7a_100011022521_100000210202 [0,2,0,0,0,0|0,0,2]=4 2145 B13R0.147 CCOCCCNC/C=C/C(=O)OC 2230a_100000210961_100000742655 [0,2,0,0,0,0|1,0,0]=3 2146 B13R0.147 CCOCCCNC/C=C/C(=O)OC 34a_100000210961_100000742655 [0,2,0,0,0,0|1,0,0]=3 2147 B13R0.147 CCOCCCOC/C=C/C(=O)OC 34a_100000757476_100000742655 [0,2,0,0,0,0|1,0,0]=3 2148 B13R0.147 CCOCCCOC/C=C/C(=O)OC 7a_100000757476_100000742655 [0,2,0,0,0,0|1,0,0]=3 2149 B13R0.147 CCOCCCSC/C=C/C(=O)OC 62a_100000742655_100012232248 [0,2,0,0,0,0|1,0,0]=3 2150 B13R0.147 CCOCCCSC/C=C/C(=O)OC 62a_100012232248_100000742655 [0,2,0,0,0,0|1,0,0]=3 2151 B13R0.147 CCSCCCCCCCC(=O)OC 62a_100000210202_100010004213 [0,2,0,0,0,0|0,0,2]=4 2152 B13R0.147 CCSCCCCCCCC(=O)OC 62a_100010004213_100000210202 [0,2,0,0,0,0|0,0,2]=4 2153 B13R0.147 CCSCCCOC/C=C/C(=O)OC 34a_100011216438_100000742655 [0,2,0,0,0,0|1,0,0]=3 2154 B13R0.147 CCSCCCOC/C=C/C(=O)OC 7a_100011216438_100000742655 [0,2,0,0,0,0|1,0,0]=3 2155 B13R0.147 CNC(=O)C=CCCCCCCCO 1626a_100102657272_100016988705 [0,2,0,0,0,0|1,0,0]=3 2156 B13R0.147 CNC(=O)C=CCCCCCCCO 240690a_100102657272_100016988705 [0,2,0,0,0,0|1,0,0]=3 2157 B13R0.147 CNCCCCCCCCC(=O)OC 2230a_106832991635_100010282707 [0,2,0,0,0,0|0,0,2]=4 2158 B13R0.147 CNCCCCCCCCC(=O)OC 34a_100102657272_100010282707 [0,2,0,0,0,0|0,0,2]=4 2159 B13R0.147 CNCCCCCCCCC(=O)OC 7a_106832991635_100010282707 [0,2,0,0,0,0|0,0,2]=4 2160 B13R0.147 COC(=O)/C=C/CNCCCCCO 2230a_100000762737_100000742655 [0,2,0,0,0,0|1,0,0]=3 2161 B13R0.147 COC(=O)/C=C/CNCCCCCO 34a_100000762737_100000742655 [0,2,0,0,0,0|1,0,0]=3 2162 B13R0.147 COC(=O)/C=C/CNCCOCCO 2230a_100000211614_100000742655 [0,2,0,0,0,0|2,0,0]=4 2163 B13R0.147 COC(=O)/C=C/CNCCOCCO 34a_100000211614_100000742655 [0,2,0,0,0,0|2,0,0]=4 2164 B13R0.147 COC(=O)/C=C/CNCCSCCO 2230a_100011219999_100000742655 [0,2,0,0,0,0|2,0,0]=4 2165 B13R0.147 COC(=O)/C=C/COCCCCCBr 34a_100000746331_100000742655 [0,2,0,0,0,0|1,0,0]=3 2166 B13R0.147 COC(=O)/C=C/COCCCCCBr 7a_100000746331_100000742655 [0,2,0,0,0,0|1,0,0]=3 2167 B13R0.147 COC(=O)/C=C/COCCCCCCl 34a_100000746330_100000742655 [0,2,0,0,0,0|1,0,0]=3 2168 B13R0.147 COC(=O)/C=C/COCCCCCCl 7a_100000746330_100000742655 [0,2,0,0,0,0|1,0,0]=3 2169 B13R0.147 COC(=O)/C=C/COCCCCCI 34a_200012148887_100000742655 [0,2,0,0,0,0|1,0,0]=3 2170 B13R0.147 COC(=O)/C=C/COCCCCCI 7a_200012148887_100000742655 [0,2,0,0,0,0|1,0,0]=3 2171 B13R0.147 COC(=O)/C=C/COCCCCCN 34a_100000762737_100000742655 [0,2,0,0,0,0|1,0,0]=3 2172 B13R0.147 COC(=O)/C=C/COCCCCSC 34a_100011217163_100000742655 [0,2,0,0,0,0|1,0,0]=3 2173 B13R0.147 COC(=O)/C=C/COCCCCSC 7a_100011217163_100000742655 [0,2,0,0,0,0|1,0,0]=3 2174 B13R0.147 COC(=O)/C=C/COCCOCCBr 34a_100000692535_100000742655 [0,2,0,0,0,0|2,0,0]=4 2175 B13R0.147 COC(=O)/C=C/COCCOCCBr 7a_100000692535_100000742655 [0,2,0,0,0,0|2,0,0]=4 2176 B13R0.147 COC(=O)/C=C/COCCOCCCl 34a_100011215305_100000742655 [0,2,0,0,0,0|2,0,0]=4 2177 B13R0.147 COC(=O)/C=C/COCCOCCCl 7a_100011215305_100000742655 [0,2,0,0,0,0|2,0,0]=4 2178 B13R0.147 COC(=O)/C=C/COCCOCCF 34a_200015357709_100000742655 [0,2,0,0,0,0|2,0,0]=4 2179 B13R0.147 COC(=O)/C=C/COCCOCCF 7a_200015357709_100000742655 [0,2,0,0,0,0|2,0,0]=4 2180 B13R0.147 COC(=O)/C=C/COCCOCCI 34a_100012149058_100000742655 [0,2,0,0,0,0|2,0,0]=4 2181 B13R0.147 COC(=O)/C=C/COCCOCCI 7a_100012149058_100000742655 [0,2,0,0,0,0|2,0,0]=4 2182 B13R0.147 COC(=O)/C=C/COCCOCCN 34a_100000211614_100000742655 [0,2,0,0,0,0|2,0,0]=4 2183 B13R0.147 COC(=O)/C=C/CSCCCCC#N 62a_100000742655_100000211819 [0,2,0,0,0,0|1,0,1]=4 2184 B13R0.147 COC(=O)/C=C/CSCCCCC#N 62a_100011219923_100000742655 [0,2,0,0,0,0|1,0,1]=4 2185 B13R0.147 COC(=O)/C=C/CSCCCCC=O 62a_100000139335_100000742655 [0,2,0,0,0,0|1,0,1]=4 2186 B13R0.147 COC(=O)/C=C/CSCCCCC=O 62a_100000742655_100000139335 [0,2,0,0,0,0|1,0,1]=4 2187 B13R0.147 COC(=O)/C=C/CSCCCCCF 62a_100000729378_100000742655 [0,2,0,0,0,0|1,0,0]=3 2188 B13R0.147 COC(=O)/C=C/CSCCCCCF 62a_100000742655_100000729378 [0,2,0,0,0,0|1,0,0]=3 2189 B13R0.147 COC(=O)/C=C/CSCCCCCO 62a_100000742655_100000746330 [0,2,0,0,0,0|1,0,0]=3 2190 B13R0.147 COC(=O)/C=C/CSCCCCCO 62a_100000746330_100000742655 [0,2,0,0,0,0|1,0,0]=3 2191 B13R0.147 COC(=O)/C=C/CSCCOCCO 62a_100000742655_100011215305 [0,2,0,0,0,0|2,0,0]=4 2192 B13R0.147 COC(=O)/C=C/CSCCOCCO 62a_100011215305_100000742655 [0,2,0,0,0,0|2,0,0]=4 2193 B13R0.147 COC(=O)CCCCCCCCO[13CH3] 34a_100000035544_200025704644 [0,2,0,0,0,0|0,0,2]=4 2194 B13R0.147 COC(=O)CCCCCCCCO[13CH3] 7a_100000035544_200025704644 [0,2,0,0,0,0|0,0,2]=4 2195 B13R0.147 COC(=O)CCCCCCCCSC 62a_100010282707_200000210301 [0,2,0,0,0,0|0,0,2]=4 2196 B13R0.147 COC(=O)CCCCCCCCSC 62a_200000210301_100010282707 [0,2,0,0,0,0|0,0,2]=4 2197 B13R0.147 COC(=O)CCCCCCCCS[13CH3] 62a_100010282707_200025704644 [0,2,0,0,0,0|0,0,2]=4 2198 B13R0.147 COC(=O)CCCCCCCCS[13CH3] 62a_200025704644_100010282707 [0,2,0,0,0,0|0,0,2]=4 2199 B13R0.147 COC(=O)CNCCCCCCCO 2230a_100011996573_100000747449 [0,2,0,0,0,0|1,0,1]=4 2200 B13R0.147 COC(=O)CNCCCCCCCO 34a_100011996573_100000747449 [0,2,0,0,0,0|1,0,1]=4 2201 B13R0.147 COC(=O)COCCCCCCCBr 34a_100000760002_100000747449 [0,2,0,0,0,0|1,0,1]=4 2202 B13R0.147 COC(=O)COCCCCCCCBr 7a_100000760002_100000747449 [0,2,0,0,0,0|1,0,1]=4 2203 B13R0.147 COC(=O)COCCCCCCCN 34a_100011996573_100000747449 [0,2,0,0,0,0|1,0,1]=4 2204 B13R0.147 COC(=O)CSCCCCCCCO 62a_100000747449_100000760002 [0,2,0,0,0,0|1,0,1]=4 2205 B13R0.147 COC(=O)CSCCCCCCCO 62a_100000760002_100000747449 [0,2,0,0,0,0|1,0,1]=4 2206 B13R0.147 COCCCCCCCCC(=O)OC 34a_100000035544_200000210301 [0,2,0,0,0,0|0,0,2]=4 2207 B13R0.147 COCCCCCCCCC(=O)OC 34a_100138415774_100010282707 [0,2,0,0,0,0|0,0,2]=4 2208 B13R0.147 COCCCCCCCCC(=O)OC 7a_100000035544_200000210301 [0,2,0,0,0,0|0,0,2]=4 2209 B13R0.147 COCCCCCCOCC(=O)OC 34a_200012092642_100000747449 [0,2,0,0,0,0|1,0,1]=4 2210 B13R0.147 COCCCCCCOCC(=O)OC 7a_200012092642_100000747449 [0,2,0,0,0,0|1,0,1]=4 2211 B13R0.147 COCCCCCCSCC(=O)OC 62a_100000747449_100011998445 [0,2,0,0,0,0|1,0,1]=4 2212 B13R0.147 COCCCCCCSCC(=O)OC 62a_100011998445_100000747449 [0,2,0,0,0,0|1,0,1]=4 2213 B13R0.147 COCCCCOC/C=C/C(=O)OC 34a_100000740925_100000742655 [0,2,0,0,0,0|1,0,0]=3 2214 B13R0.147 COCCCCSC/C=C/C(=O)OC 62a_100000730899_100000742655 [0,2,0,0,0,0|1,0,0]=3 2215 B13R0.147 COCCCCSC/C=C/C(=O)OC 62a_100000742655_100000730899 [0,2,0,0,0,0|1,0,0]=3 2216 B13R0.147 COCCOCSC/C=C/C(=O)OC 62a_100000231047_100000742655 [0,2,0,0,0,0|2,0,0]=4 2217 B13R0.147 COCCOCSC/C=C/C(=O)OC 62a_100000742655_100000231047 [0,2,0,0,0,0|2,0,0]=4 2218 B13R0.147 O=C(CO)CCCCCCCCCO 1458a_100000210174_100009813782 [0,2,0,0,0,0|0,0,2]=4 2219 B13R0.147 O=C(CO)NCCCCCCCCO 240690a_102515433106_100000210174 [0,2,0,0,0,0|1,0,1]=4 2220 B13R0.150 CCCCCCCC=CC(=O)C(C)C 1458a_200015332781_100000210206 [0,2,0,0,0,0|1,0,0]=3 2221 B13R0.150 CCCCCCCC=CC(=O)N(C)C 11a_100102631434_200015332781 [0,2,0,0,0,0|1,0,0]=3 2222 B13R0.150 CCCCCCCC=CC(=O)N(C)C 1626a_100102631434_200015332781 [0,2,0,0,0,0|1,0,0]=3 2223 B13R0.150 CCCCCCCC=CC(=O)N(C)C 240690a_100102631434_200015332781 [0,2,0,0,0,0|1,0,0]=3 2224 B13R0.150 CCCCCCCCCC(=O)C(O)O 1458a_100000233687_100000210670 [0,2,0,0,0,0|0,0,2]=4 2225 B13R0.150 CCCCCCCCCC(=O)[C@@H](C)O 1458a_100000717761_100000210670 [0,2,0,0,0,0|0,0,2]=4 2226 B13R0.150 CCCCCCCCCC(=O)[C@H](C)O 1458a_217856618621_100000210670 [0,2,0,0,0,0|0,0,2]=4 2227 B13R0.150 CCCCCCCCNC(=O)C(=O)N 240690a_100000229939_100011215815 [0,2,0,0,0,0|1,0,1]=4 2228 B13R0.150 CCCCCCCCNC(=O)C(O)O 240690a_100000229939_100000233687 [0,2,0,0,0,0|1,0,1]=4 2229 B13R0.150 CCCCCCCCNC(=O)[C@@H](C)O 240690a_100000229939_100000717761 [0,2,0,0,0,0|1,0,1]=4 2230 B13R0.150 CCCCCCCCNC(=O)[C@H](C)O 1626a_100000229939_217856618621 [0,2,0,0,0,0|1,0,1]=4 2231 B13R0.150 CCCCCCCCNC(=O)[C@H](C)O 240690a_100000229939_217856618621 [0,2,0,0,0,0|1,0,1]=4 2232 B13R0.150 CCCCCCCCN[C@@H](C)C(=O)O 269956a_100000743915_100000210759 [0,2,0,0,0,0|0,0,2]=4 2233 B13R0.150 CCCCCCCNCC(C)C(=O)O 269956a_100000749485_100000210614 [0,2,0,0,0,0|0,0,2]=4 2234 B13R0.150 CCCCCCCNCC(F)C(=O)O 269956a_100000084737_100000210614 [0,2,0,0,0,0|0,0,2]=4 2235 B13R0.150 CCCCCCCOCC(=O)C(=O)C 34a_100000210272_100011261029 [0,2,0,0,0,0|1,0,1]=4 2236 B13R0.150 CCCCCCCSCC(=O)C(=O)C 62a_100000210614_100011261029 [0,2,0,0,0,0|1,0,1]=4 2237 B13R0.150 CCCCCCCSCC(=O)C(=O)C 62a_100011261029_100000210316 [0,2,0,0,0,0|1,0,1]=4 2238 B13R0.150 CCCCOCCCNC(=O)C(=O)N 240690a_200000211371_100011215815 [0,2,0,0,0,0|2,0,0]=4 2239 B13R0.150 COCCCCCCN[C@@H](C)C(=O)O 269956a_100000743915_100011998445 [0,2,0,0,0,0|1,0,1]=4 2240 B13R0.150 C[C@H](NCCCCCCCO)C(=O)O 269956a_100000743915_100000760002 [0,2,0,0,0,0|1,0,1]=4 2241 B13R0.150 NC(=O)C(=O)NCCCCCCCO 240690a_100011996573_100011215815 [0,2,0,0,0,0|2,0,0]=4 2242 B13R0.154 CCCCCCCC(=NNC(=O)C)C 4a_100000189765_100000210596 [0,2,0,0,0,0|2,0,0]=4 2243 B13R0.154 CCCCCCCC(=O)CC=C(C)C 1458a_100000211969_100000761012 [0,2,0,0,0,0|2,0,0]=4 2244 B13R0.154 CCCCCCCC(=O)CC=C(C)C 1458a_100011220947_100000210614 [0,2,0,0,0,0|2,0,0]=4 2245 B13R0.154 CCCCCCCC(=O)CCC(=O)N 1458a_100011215257_100000210614 [0,2,0,0,0,0|1,0,1]=4 2246 B13R0.154 CCCCCCCC(=O)CNC(=O)C 1458a_100000194580_100000210614 [0,2,0,0,0,0|1,0,1]=4 2247 B13R0.154 CCCCCCCC(=O)CNC(=O)N 1458a_100000184981_100000210614 [0,2,0,0,0,0|1,0,1]=4 2248 B13R0.154 CCCCCCCC(=O)COC(=O)C 1458a_100000183556_100000210614 [0,2,0,0,0,0|1,0,1]=4 2249 B13R0.154 CCCCCCCC(=O)CSC(=O)C 1458a_100000049016_100000210614 [0,2,0,0,0,0|1,0,1]=4 2250 B13R0.154 CCCCCCCC(=O)NCC(=O)C 1458a_100000691742_200000210301 [0,2,0,0,0,0|1,0,1]=4 2251 B13R0.154 CCCCCCCC(=O)NCC(=O)N 11a_100000711301_100000211969 [0,2,0,0,0,0|1,0,1]=4 2252 B13R0.154 CCCCCCCC(=O)NCC(=O)N 240690a_100000711301_100000211969 [0,2,0,0,0,0|1,0,1]=4 2253 B13R0.154 CCCCCCCC(=O)NCC(=O)N 527a_100000711301_100000211969 [0,2,0,0,0,0|1,0,1]=4 2254 B13R0.154 CCCCCCCC(=O)NCC(=O)[13CH3] 1458a_100000691742_200025704644 [0,2,0,0,0,0|1,0,1]=4 2255 B13R0.154 CCCCCCCC(=O)NNC(=O)C 22a_100000181853_100000070787 [0,2,0,0,0,0|2,0,0]=4 2256 B13R0.154 CCCCCCCC(=O)NNC(=O)C 22a_100000189765_100000211969 [0,2,0,0,0,0|2,0,0]=4 2257 B13R0.154 CCCCCCCC(=O)OCC(=O)C 1458a_100000070787_100009852258 [0,2,0,0,0,0|1,0,1]=4 2258 B13R0.154 CCCCCCCC(C)NCC(=O)O 269956a_100016091260_200011218727 [0,2,0,0,0,0|0,0,2]=4 2259 B13R0.154 CCCCCNCC(=O)NCC(=O)O 269956a_100000183575_100000210326 [0,2,0,0,0,0|1,0,1]=4 2260 B13R0.154 CCCCNCCC(=O)NCC(=O)O 269956a_100000722369_100000210211 [0,2,0,0,0,0|1,0,1]=4 2261 B13R0.179 CC(Br)CCOCCC/C=C/B(O)O 34a_100009893172_200016261450 [0,2,0,0,0,0|1,0,1]=4 2262 B13R0.179 CC(C)CCCCCNOCC(=O)O 269956a_100000106656_100000210682 [0,2,0,0,0,0|1,0,1]=4 2263 B13R0.179 CC(C)CCCCOC/C=C/B(O)O 34a_100011214890_100016262062 [0,2,0,0,0,0|1,0,1]=4 2264 B13R0.179 CC(C)CCCCOC/C=C/B(O)O 7a_100011214890_100016262062 [0,2,0,0,0,0|1,0,1]=4 2265 B13R0.179 CC(C)CCCCSC/C=C/B(O)O 62a_100011216152_100016262062 [0,2,0,0,0,0|1,0,1]=4 2266 B13R0.179 CC(C)CCCCSC/C=C/B(O)O 62a_100016262062_100011216152 [0,2,0,0,0,0|1,0,1]=4 2267 B13R0.179 CC(C)CCCNCCOCC(=O)O 269956a_100000700818_100011214892 [0,2,0,0,0,0|1,0,1]=4 2268 B13R0.179 CC(C)CCOCCC/C=C/B(O)O 34a_100000210254_200016261450 [0,2,0,0,0,0|1,0,1]=4 2269 B13R0.179 CC(C)CCOCCC/C=C/B(O)O 7a_100000210254_200016261450 [0,2,0,0,0,0|1,0,1]=4 2270 B13R0.179 CC(C)CCSCCC/C=C/B(O)O 62a_100000210312_200016261450 [0,2,0,0,0,0|1,0,1]=4 2271 B13R0.179 CC(C)CCSCCC/C=C/B(O)O 62a_200016261450_100000210312 [0,2,0,0,0,0|1,0,1]=4 2272 B13R0.179 CC(O)CCCNCCOCC(=O)O 269956a_100000700818_200000718107 [0,2,0,0,0,0|1,0,1]=4 2273 B13R0.179 CC(O)CCNCCC/C=C/B(O)O 2230a_200000755665_200016261450 [0,2,0,0,0,0|1,0,1]=4 2274 B13R0.179 CC(O)CCSCCC/C=C/B(O)O 62a_100012276601_200016261450 [0,2,0,0,0,0|1,0,1]=4 2275 B13R0.179 CC(O)CCSCCC/C=C/B(O)O 62a_200016261450_100012276601 [0,2,0,0,0,0|1,0,1]=4 2276 B13R0.179 C[C@@H](N)CCOCCC/C=C/B(O)O 34a_100000706166_200016261450 [0,2,0,0,0,0|1,0,1]=4 2277 B13R0.202 CC(C)CCCCCCNC(=O)CO 240690a_100000211014_100000210174 [0,2,0,0,0,0|1,0,1]=4 2278 B13R0.202 CC(C)CCCCCCNC(=O)CO 527a_100000211014_100000210174 [0,2,0,0,0,0|1,0,1]=4 2279 B13R0.202 CCC(C)CCCOC/C=C/B(O)O 7a_100011216074_100016262062 [0,2,0,0,0,0|1,0,1]=4 2280 B13R0.202 CCC(C)CNCCC/C=C/B(O)O 2230a_100020588543_200016261450 [0,2,0,0,0,0|1,0,1]=4 2281 B13R0.202 CCC(C)CSCCC/C=C/B(O)O 62a_100000748023_200016261450 [0,2,0,0,0,0|1,0,1]=4 2282 B13R0.202 CCC(C)CSCCC/C=C/B(O)O 62a_200016261450_100000748023 [0,2,0,0,0,0|1,0,1]=4 2283 B13R0.202 CCC(O)CNCCC/C=C/B(O)O 2230a_100011218483_200016261450 [0,2,0,0,0,0|1,0,1]=4 2284 B13R0.202 CCC(O)CSCCC/C=C/B(O)O 62a_100011218378_200016261450 [0,2,0,0,0,0|1,0,1]=4 2285 B13R0.202 CCC(O)CSCCC/C=C/B(O)O 62a_200016261450_100011218378 [0,2,0,0,0,0|1,0,1]=4 2286 B13R0.202 CC[C@H](C)COCCC/C=C/B(O)O 7a_100009816381_200016261450 [0,2,0,0,0,0|1,0,1]=4 2287 B13R0.202 CC[C@H](C)CSCCC/C=C/B(O)O 62a_100009816398_200016261450 [0,2,0,0,0,0|1,0,1]=4 2288 B13R0.202 CC[C@H](C)CSCCC/C=C/B(O)O 62a_200016261450_100009816398 [0,2,0,0,0,0|1,0,1]=4 2289 B13R0.202 COC(=O)/C=C/CNCCCC(C)C 2230a_200000737386_100000742655 [0,2,0,0,0,0|1,0,0]=3 2290 B13R0.202 COC(=O)/C=C/CNCCCC(C)C 34a_200000737386_100000742655 [0,2,0,0,0,0|1,0,0]=3 2291 B13R0.202 COC(=O)/C=C/CNCCCS(=O)C 2230a_200000753449_100000742655 [0,2,0,0,0,0|2,0,0]=4 2292 B13R0.202 COC(=O)/C=C/CNCCOC(C)C 2230a_100000701111_100000742655 [0,2,0,0,0,0|2,0,0]=4 2293 B13R0.202 COC(=O)/C=C/CNCCOC(C)C 34a_100000701111_100000742655 [0,2,0,0,0,0|2,0,0]=4 2294 B13R0.202 COC(=O)/C=C/CNCCSC(C)C 2230a_100000731138_100000742655 [0,2,0,0,0,0|2,0,0]=4 2295 B13R0.202 COC(=O)/C=C/CNCCSC(C)C 34a_100000731138_100000742655 [0,2,0,0,0,0|2,0,0]=4 2296 B13R0.202 COC(=O)/C=C/COCCCC(=O)C 34a_100000759063_100000742655 [0,2,0,0,0,0|1,0,1]=4 2297 B13R0.202 COC(=O)/C=C/COCCCC(=O)C 7a_100000759063_100000742655 [0,2,0,0,0,0|1,0,1]=4 2298 B13R0.202 COC(=O)/C=C/COCCCC(C)C 34a_100000210774_100000742655 [0,2,0,0,0,0|1,0,0]=3 2299 B13R0.202 COC(=O)/C=C/COCCCC(C)C 7a_100000210774_100000742655 [0,2,0,0,0,0|1,0,0]=3 2300 B13R0.202 COC(=O)/C=C/COCCNC(C)C 34a_100000224655_100000742655 [0,2,0,0,0,0|2,0,0]=4 2301 B13R0.202 COC(=O)/C=C/COCCOC(C)C 34a_100000211219_100000742655 [0,2,0,0,0,0|2,0,0]=4 2302 B13R0.202 COC(=O)/C=C/COCCOC(C)C 7a_100000211219_100000742655 [0,2,0,0,0,0|2,0,0]=4 2303 B13R0.202 COC(=O)/C=C/COCCSC(C)C 34a_200011212901_100000742655 [0,2,0,0,0,0|2,0,0]=4 2304 B13R0.202 COC(=O)/C=C/COCCSC(C)C 7a_200011212901_100000742655 [0,2,0,0,0,0|2,0,0]=4 2305 B13R0.202 COC(=O)/C=C/CSCCCC(=O)C 62a_100000742655_100011215641 [0,2,0,0,0,0|1,0,1]=4 2306 B13R0.202 COC(=O)/C=C/CSCCCC(=O)C 62a_100011215641_100000742655 [0,2,0,0,0,0|1,0,1]=4 2307 B13R0.202 COC(=O)/C=C/CSCCCC(C)C 62a_100000742655_100011214892 [0,2,0,0,0,0|1,0,0]=3 2308 B13R0.202 COC(=O)/C=C/CSCCCC(C)C 62a_100011214892_100000742655 [0,2,0,0,0,0|1,0,0]=3 2309 B13R0.202 COC(=O)/C=C/CSCCCC(C)O 62a_100000742655_200000718107 [0,2,0,0,0,0|1,0,0]=3 2310 B13R0.202 COC(=O)/C=C/CSCCCC(C)O 62a_200000718107_100000742655 [0,2,0,0,0,0|1,0,0]=3 2311 B13R0.202 COC(=O)/C=C/CSCCCN(C)C 62a_100000742655_100000757444 [0,2,0,0,0,0|2,0,0]=4 2312 B13R0.202 COC(=O)/C=C/CSCCOC(C)C 62a_100000211751_100000742655 [0,2,0,0,0,0|2,0,0]=4 2313 B13R0.202 COC(=O)/C=C/CSCCOC(C)C 62a_100000742655_100000211751 [0,2,0,0,0,0|2,0,0]=4 2314 B13R0.202 COC(=O)/C=C/CSCCSC(C)C 62a_100000730970_100000742655 [0,2,0,0,0,0|2,0,0]=4 2315 B13R0.202 COC(=O)/C=C/CSCCSC(C)C 62a_100000742655_100000730970 [0,2,0,0,0,0|2,0,0]=4 2316 B13R0.202 COC(=O)CNCCCCCC(C)C 2230a_100011290863_100000747449 [0,2,0,0,0,0|1,0,1]=4 2317 B13R0.202 COC(=O)CNCCCCCC(C)C 34a_100011290863_100000747449 [0,2,0,0,0,0|1,0,1]=4 2318 B13R0.202 COC(=O)COCCCCCC(C)C 34a_100011995859_100000747449 [0,2,0,0,0,0|1,0,1]=4 2319 B13R0.202 COC(=O)COCCCCCC(C)C 7a_100011995859_100000747449 [0,2,0,0,0,0|1,0,1]=4 2320 B13R0.202 COC(=O)CSCCCCCC(C)C 62a_100000210682_100000747449 [0,2,0,0,0,0|1,0,1]=4 2321 B13R0.202 COC(=O)CSCCCCCC(C)C 62a_100000747449_100000210682 [0,2,0,0,0,0|1,0,1]=4 2322 B13R0.2 C#CCC(=O)C=CCCCCCCC 1458a_200015332781_100000184674 [0,2,0,0,0,0|1,0,0]=3 2323 B13R0.2 C=CCC(=O)C=CCCCCCCC 1458a_200015332781_100000210623 [0,2,0,0,0,0|1,0,0]=3 2324 B13R0.2 C=COC(=O)CNCCCCCCC 2230a_100000229938_100000036128 [0,2,0,0,0,0|1,0,1]=4 2325 B13R0.2 C=COC(=O)COCCCCCCC 34a_100000210272_100000036128 [0,2,0,0,0,0|1,0,1]=4 2326 B13R0.2 C=COC(=O)CSCCCCCCC 62a_100000036128_100000210316 [0,2,0,0,0,0|1,0,1]=4 2327 B13R0.2 C=COC(=O)CSCCCCCCC 62a_100000210614_100000036128 [0,2,0,0,0,0|1,0,1]=4 2328 B13R0.2 CCCCCC/C=C/CC(=O)CCO 1458a_100020681715_100000211926 [0,2,0,0,0,0|0,0,2]=4 2329 B13R0.2 CCCCCCCC=CC(=O)CC#N 1458a_200015332781_100011214920 [0,2,0,0,0,0|1,0,0]=3 2330 B13R0.2 CCCCCCCC=CC(=O)CCC 1458a_200015332781_100000210303 [0,2,0,0,0,0|1,0,0]=3 2331 B13R0.2 CCCCCCCC=CC(=O)CCF 1458a_200015332781_100011217306 [0,2,0,0,0,0|1,0,0]=3 2332 B13R0.2 CCCCCCCC=CC(=O)CCO 1458a_200015332781_100000211926 [0,2,0,0,0,0|0,0,0]=2 2333 B13R0.2 CCCCCCCC=CC(=O)NCC 11a_100015525214_200015332781 [0,2,0,0,0,0|1,0,0]=3 2334 B13R0.2 CCCCCCCC=CC(=O)NCC 240690a_100015525214_200015332781 [0,2,0,0,0,0|1,0,0]=3 2335 B13R0.2 CCCCCCCC=CC(=O)NNC 22a_100016993582_200015332781 [0,2,0,0,0,0|1,0,0]=3 2336 B13R0.2 CCCCCCCCCC(=O)CCO 1458a_100000210558_100000211926 [0,2,0,0,0,0|0,0,2]=4 2337 B13R0.2 CCCCCCCCCC(=O)CCO 1458a_100011216618_100000210670 [0,2,0,0,0,0|0,0,2]=4 2338 B13R0.2 CCCCCCCCCC(=O)COC 1458a_100000210968_100000210670 [0,2,0,0,0,0|0,0,2]=4 2339 B13R0.2 CCCCCCCCNC(=O)CCO 240690a_100000229939_100011216618 [0,2,0,0,0,0|1,0,1]=4 2340 B13R0.2 CCCCCCCCNC(=O)COC 11a_100000229939_100000210968 [0,2,0,0,0,0|1,0,1]=4 2341 B13R0.2 CCCCCCCCNC(=O)COC 1626a_100000229939_100000210968 [0,2,0,0,0,0|1,0,1]=4 2342 B13R0.2 CCCCCCCCNC(=O)COC 240690a_100000229939_100000210968 [0,2,0,0,0,0|1,0,1]=4 2343 B13R0.2 CCCCCCCCNC(=O)COC 527a_100000229939_100000210968 [0,2,0,0,0,0|1,0,1]=4 2344 B13R0.2 CCCCCCCNCC(=O)NCO 2230a_100000229938_100000185155 [0,2,0,0,0,0|1,0,1]=4 2345 B13R0.2 CCCCCCCNCC(=O)OCC 2230a_100000229938_100000188475 [0,2,0,0,0,0|1,0,1]=4 2346 B13R0.2 CCCCCCCOCC(=O)NCO 34a_100000210272_100000185155 [0,2,0,0,0,0|1,0,1]=4 2347 B13R0.2 CCCCCCCOCC(=O)NCO 7a_100000210272_100000185155 [0,2,0,0,0,0|1,0,1]=4 2348 B13R0.2 CCCCCCCOCC(=O)OCC 34a_100000210272_100000188475 [0,2,0,0,0,0|1,0,1]=4 2349 B13R0.2 CCCCCCCOCC(=O)OCC 7a_100000210272_100000188475 [0,2,0,0,0,0|1,0,1]=4 2350 B13R0.2 CCCCCCCSCC(=O)NCO 62a_100000185155_100000210316 [0,2,0,0,0,0|1,0,1]=4 2351 B13R0.2 CCCCCCCSCC(=O)NCO 62a_100000210614_100000185155 [0,2,0,0,0,0|1,0,1]=4 2352 B13R0.2 CCCCCCCSCC(=O)OCC 62a_100000188475_100000210316 [0,2,0,0,0,0|1,0,1]=4 2353 B13R0.2 CCCCCCCSCC(=O)OCC 62a_100000210614_100000188475 [0,2,0,0,0,0|1,0,1]=4 2354 B13R0.2 CCCCCNC/C=C/C(=O)OCC 2230a_100000209983_100016267167 [0,2,0,0,0,0|1,0,0]=3 2355 B13R0.2 CCCCCOC/C=C/C(=O)OCC 34a_100000210253_100016267167 [0,2,0,0,0,0|1,0,0]=3 2356 B13R0.2 CCCCCOC/C=C/C(=O)OCC 7a_100000210253_100016267167 [0,2,0,0,0,0|1,0,0]=3 2357 B13R0.2 CCCCCSC/C=C/C(=O)OCC 62a_100000210326_100016267167 [0,2,0,0,0,0|1,0,0]=3 2358 B13R0.2 CCCCCSC/C=C/C(=O)OCC 62a_100016267167_100000210326 [0,2,0,0,0,0|1,0,0]=3 2359 B13R0.2 CCOC(=O)/C=C/CNCCCCO 2230a_100000750430_100016267167 [0,2,0,0,0,0|2,0,0]=4 2360 B13R0.2 CCOC(=O)/C=C/CNCCCCO 34a_100000750430_100016267167 [0,2,0,0,0,0|2,0,0]=4 2361 B13R0.2 CCOC(=O)/C=C/CNCCCOC 34a_100150723488_100016267167 [0,2,0,0,0,0|2,0,0]=4 2362 B13R0.2 CCOC(=O)/C=C/CNCCCSC 2230a_100000749238_100016267167 [0,2,0,0,0,0|2,0,0]=4 2363 B13R0.2 CCOC(=O)/C=C/CNCCSCC 2230a_100000106463_100016267167 [0,2,0,0,0,0|2,0,0]=4 2364 B13R0.2 CCOC(=O)/C=C/COCCCCBr 34a_100011216708_100016267167 [0,2,0,0,0,0|2,0,0]=4 2365 B13R0.2 CCOC(=O)/C=C/COCCCCCl 34a_100000210776_100016267167 [0,2,0,0,0,0|2,0,0]=4 2366 B13R0.2 CCOC(=O)/C=C/COCCCCCl 7a_100000210776_100016267167 [0,2,0,0,0,0|2,0,0]=4 2367 B13R0.2 CCOC(=O)/C=C/COCCCCF 34a_100011995726_100016267167 [0,2,0,0,0,0|2,0,0]=4 2368 B13R0.2 CCOC(=O)/C=C/COCCCCF 7a_100011995726_100016267167 [0,2,0,0,0,0|2,0,0]=4 2369 B13R0.2 CCOC(=O)/C=C/COCCCCI 34a_200012148704_100016267167 [0,2,0,0,0,0|2,0,0]=4 2370 B13R0.2 CCOC(=O)/C=C/COCCCCN 34a_100000750430_100016267167 [0,2,0,0,0,0|2,0,0]=4 2371 B13R0.2 CCOC(=O)/C=C/COCCCNC 34a_100000213112_100016267167 [0,2,0,0,0,0|2,0,0]=4 2372 B13R0.2 CCOC(=O)/C=C/COCCCOC 34a_100000740835_100016267167 [0,2,0,0,0,0|2,0,0]=4 2373 B13R0.2 CCOC(=O)/C=C/COCCCSC 34a_100000690336_100016267167 [0,2,0,0,0,0|2,0,0]=4 2374 B13R0.2 CCOC(=O)/C=C/COCCCSC 7a_100000690336_100016267167 [0,2,0,0,0,0|2,0,0]=4 2375 B13R0.2 CCOC(=O)/C=C/COCCSCC 34a_100000212035_100016267167 [0,2,0,0,0,0|2,0,0]=4 2376 B13R0.2 CCOC(=O)/C=C/COCCSCC 7a_100000212035_100016267167 [0,2,0,0,0,0|2,0,0]=4 2377 B13R0.2 CCOC(=O)/C=C/CSCCCCF 62a_100000729493_100016267167 [0,2,0,0,0,0|2,0,0]=4 2378 B13R0.2 CCOC(=O)/C=C/CSCCCCF 62a_100016267167_100000729493 [0,2,0,0,0,0|2,0,0]=4 2379 B13R0.2 CCOC(=O)/C=C/CSCCCCO 62a_100000210776_100016267167 [0,2,0,0,0,0|2,0,0]=4 2380 B13R0.2 CCOC(=O)/C=C/CSCCCCO 62a_100016267167_100000210776 [0,2,0,0,0,0|2,0,0]=4 2381 B13R0.2 CCOC(=O)/C=C/CSCCCOC 62a_100000709357_100016267167 [0,2,0,0,0,0|2,0,0]=4 2382 B13R0.2 CCOC(=O)/C=C/CSCCCOC 62a_100016267167_100000709357 [0,2,0,0,0,0|2,0,0]=4 2383 B13R0.2 CCOC(=O)/C=C/CSCCSCC 62a_100000757381_100016267167 [0,2,0,0,0,0|2,0,0]=4 2384 B13R0.2 CCOC(=O)/C=C/CSCCSCC 62a_100016267167_100000757381 [0,2,0,0,0,0|2,0,0]=4 2385 B13R0.2 CCOCCNC/C=C/C(=O)OCC 2230a_102516460346_100016267167 [0,2,0,0,0,0|2,0,0]=4 2386 B13R0.2 CCOCCNC/C=C/C(=O)OCC 34a_102516460346_100016267167 [0,2,0,0,0,0|2,0,0]=4 2387 B13R0.2 CCOCCOC/C=C/C(=O)OCC 34a_100000210136_100016267167 [0,2,0,0,0,0|2,0,0]=4 2388 B13R0.2 CCOCCOC/C=C/C(=O)OCC 7a_100000210136_100016267167 [0,2,0,0,0,0|2,0,0]=4 2389 B13R0.2 CCOCCSC/C=C/C(=O)OCC 62a_100000210147_100016267167 [0,2,0,0,0,0|2,0,0]=4 2390 B13R0.2 CCOCCSC/C=C/C(=O)OCC 62a_100016267167_100011215890 [0,2,0,0,0,0|2,0,0]=4 2391 B13R0.87 CCCC(=O)CSC/C=C/C(=O)OC 62a_100000742655_100000747444 [0,2,0,0,0,0|1,0,1]=4 2392 B13R0.87 CCCC(=O)CSC/C=C/C(=O)OC 62a_100000747444_100000742655 [0,2,0,0,0,0|1,0,1]=4 2393 B13R0.87 CCCC(C)CCCOCC(=O)OC 34a_100011713154_100000747449 [0,2,0,0,0,0|1,0,1]=4 2394 B13R0.87 CCCC(C)CCCOCC(=O)OC 7a_100011713154_100000747449 [0,2,0,0,0,0|1,0,1]=4 2395 B13R0.87 CCCC(C)COC/C=C/C(=O)OC 34a_100000688023_100000742655 [0,2,0,0,0,0|1,0,0]=3 2396 B13R0.87 CCCC(C)COC/C=C/C(=O)OC 7a_100000688023_100000742655 [0,2,0,0,0,0|1,0,0]=3 2397 B13R0.87 CCCC(C)CSC/C=C/C(=O)OC 62a_100000742655_100011216630 [0,2,0,0,0,0|1,0,0]=3 2398 B13R0.87 CCCC(C)CSC/C=C/C(=O)OC 62a_100011216630_100000742655 [0,2,0,0,0,0|1,0,0]=3 2399 B13R0.87 CCC[C@H](N)COC/C=C/C(=O)OC 34a_100000732646_100000742655 [0,2,0,0,0,0|1,0,0]=3 2400 B13R0.87 COC(=O)/C=C/COCC(C)CCN 34a_106354213184_100000742655 [0,2,0,0,0,0|2,0,0]=4 2401 B13R0.87 COCC(N)COC/C=C/C(=O)OC 34a_100000724102_100000742655 [0,2,0,0,0,0|2,0,0]=4 2402 B13R0.87 COCC(O)CNC/C=C/C(=O)OC 2230a_100000756049_100000742655 [0,2,0,0,0,0|2,0,0]=4 2403 B13R0.87 COCC(O)CNC/C=C/C(=O)OC 34a_100000756049_100000742655 [0,2,0,0,0,0|2,0,0]=4 2404 B13R0.87 COCC(O)CSC/C=C/C(=O)OC 62a_100000742655_100011215053 [0,2,0,0,0,0|2,0,0]=4 2405 B13R0.87 COCC(O)CSC/C=C/C(=O)OC 62a_100011215053_100000742655 [0,2,0,0,0,0|2,0,0]=4 2406 B13R0.340 C=C(COCCCCCC)C(=O)OC 34a_100000210259_100009813391 [0,2,0,0,0,0|1,0,1]=4 2407 B13R0.340 C=C(CSCCCCCC)C(=O)OC 62a_100000210314_100009813391 [0,2,0,0,0,0|1,0,1]=4 2408 B13R0.340 C=C(CSCCCCCC)C(=O)OC 62a_100009813391_100000210757 [0,2,0,0,0,0|1,0,1]=4 2409 B13R0.340 CCCCCCCCC(=O)C(=O)NC 1458a_100011218921_100000210759 [0,2,0,0,0,0|1,0,1]=4 2410 B13R0.340 CCCCCCCCN(C)C(=O)CO 240690a_100000207567_100000210174 [0,2,0,0,0,0|1,0,1]=4 2411 B13R0.340 CCCCCCCCN(C)C(=O)CO 527a_100000207567_100000210174 [0,2,0,0,0,0|1,0,1]=4 2412 B13R0.340 CCCCCCCNC(=O)C(=O)NC 1626a_100000229938_100011218921 [0,2,0,0,0,0|2,0,0]=4 2413 B13R0.340 CCCCCCCNC(=O)C(=O)NC 240690a_100000229938_100011218921 [0,2,0,0,0,0|2,0,0]=4 2414 B13R0.340 CCCCCCCNC(=O)C(=O)NC 527a_100000229938_100011218921 [0,2,0,0,0,0|2,0,0]=4 2415 B13R0.340 CCCCCCCNC(=O)C(=O)OC 11a_100000229938_100000024059 [0,2,0,0,0,0|1,0,0]=3 2416 B13R0.340 CCCCCCCNC(=O)C(=O)OC 1626a_100000229938_100000024059 [0,2,0,0,0,0|1,0,0]=3 2417 B13R0.340 CCCCCCCNC(=O)C(=O)OC 240690a_100000229938_100000024059 [0,2,0,0,0,0|1,0,0]=3 2418 B13R0.340 CCCCCCCNC(=O)C(=O)OC 527a_100000229938_100000024059 [0,2,0,0,0,0|1,0,0]=3 2419 B13R0.340 CCCCCCCNC(C)C(=O)OC 2230a_100000229938_100000211248 [0,2,0,0,0,0|1,0,1]=4 2420 B13R0.340 CCCCCCCOC(C)C(=O)OC 34a_100000210272_100000211248 [0,2,0,0,0,0|1,0,1]=4 2421 B13R0.340 CCCCCCCOC(C)C(=O)OC 34a_100011215400_100000210614 [0,2,0,0,0,0|1,0,1]=4 2422 B13R0.340 CCCCCCCOC(C)C(=O)OC 7a_100000210272_100000211248 [0,2,0,0,0,0|1,0,1]=4 2423 B13R0.340 CCCCCCCSC(C)C(=O)OC 62a_100000210614_100000211248 [0,2,0,0,0,0|1,0,1]=4 2424 B13R0.340 CCCCCCCSC(C)C(=O)OC 62a_100000211248_100000210316 [0,2,0,0,0,0|1,0,1]=4 2425 B13R0.340 CCCCCCOCC(=O)C(=O)OC 34a_100000210259_100011610305 [0,2,0,0,0,0|1,0,1]=4 2426 B13R0.340 CCCCCCSCC(=O)C(=O)OC 62a_100000210314_100011610305 [0,2,0,0,0,0|1,0,1]=4 2427 B13R0.340 CCCCCCSCC(=O)C(=O)OC 62a_100011610305_100000210757 [0,2,0,0,0,0|1,0,1]=4 2428 B13R0.340 CCCCSCCNC(=O)C(=O)OC 11a_100025743550_100000024059 [0,2,0,0,0,0|2,0,0]=4 2429 B13R0.340 CCCCSCCNC(=O)C(=O)OC 1626a_100025743550_100000024059 [0,2,0,0,0,0|2,0,0]=4 2430 B13R0.340 CCCCSCCNC(=O)C(=O)OC 240690a_100025743550_100000024059 [0,2,0,0,0,0|2,0,0]=4 2431 B13R0.340 CCCCSCCNC(=O)C(=O)OC 527a_100025743550_100000024059 [0,2,0,0,0,0|2,0,0]=4 2432 B13R0.340 CCCOCCCNC(=O)C(=O)OC 1626a_100011217757_100000024059 [0,2,0,0,0,0|2,0,0]=4 2433 B13R0.340 CCCOCCCNC(=O)C(=O)OC 240690a_100011217757_100000024059 [0,2,0,0,0,0|2,0,0]=4 2434 B13R0.340 CCCOCCCNC(=O)C(=O)OC 527a_100011217757_100000024059 [0,2,0,0,0,0|2,0,0]=4 2435 B13R0.340 COC(=O)C(=O)NCCCCCCO 240690a_100000686447_100000024059 [0,2,0,0,0,0|2,0,0]=4 2436 B13R0.340 COC(=O)C(=O)NCCCCCCO 527a_100000686447_100000024059 [0,2,0,0,0,0|2,0,0]=4 2437 B13R0.340 COCCCCCNC(=O)C(=O)OC 11a_100000747528_100000024059 [0,2,0,0,0,0|2,0,0]=4 2438 B13R0.340 COCCCCCNC(=O)C(=O)OC 1626a_100000747528_100000024059 [0,2,0,0,0,0|2,0,0]=4 2439 B13R0.340 COCCCCCNC(=O)C(=O)OC 240690a_100000747528_100000024059 [0,2,0,0,0,0|2,0,0]=4 2440 B13R0.340 COCCCCCNC(=O)C(=O)OC 527a_100000747528_100000024059 [0,2,0,0,0,0|2,0,0]=4 2441 B13R0.1170 CCCCCCC(=O)C=CC(=O)NC 1458a_100016259477_100000210757 [0,2,0,0,0,0|1,0,1]=4 2442 B13R0.1170 CCCCCCC(C)NCC(=O)OC 2230a_100000210919_100000747449 [0,2,0,0,0,0|1,0,1]=4 2443 B13R0.1170 CCCCCCC(C)NCC(=O)OC 34a_100000210919_100000747449 [0,2,0,0,0,0|1,0,1]=4 2444 B13R0.1170 CCCCCCC(C)OCC(=O)OC 34a_100000210265_100000747449 [0,2,0,0,0,0|1,0,1]=4 2445 B13R0.1170 CCCCCCC(C)OCC(=O)OC 7a_100000210265_100000747449 [0,2,0,0,0,0|1,0,1]=4 2446 B13R0.1170 CCCCCCC(C)SCC(=O)OC 62a_100000747449_100011215978 [0,2,0,0,0,0|1,0,1]=4 2447 B13R0.1170 CCCCCCC(C)SCC(=O)OC 62a_100011215978_100000747449 [0,2,0,0,0,0|1,0,1]=4 2448 B13R0.1170 CCCCCNC(=O)C=CC(=O)OC 1626a_100000209983_100016283253 [0,2,0,0,0,0|1,0,1]=4 2449 B13R0.61 C=C[C@H](NCCCCCCC)C(=O)O 269956a_100016992060_100000210614 [0,2,0,0,0,0|1,0,1]=4 2450 B13R0.61 CCCCCCCNC(CO)C(=O)O 269956a_100000187304_100000210614 [0,2,0,0,0,0|1,0,1]=4 2451 B13R0.61 CCCCCCCN[C@H](CC)C(=O)O 269956a_100000747097_100000210614 [0,2,0,0,0,0|1,0,1]=4 2452 B13R0.284 CCCCCCC(C)NC(=O)C(=O)N 240690a_100000210919_100011215815 [0,2,0,0,0,0|2,0,0]=4 2453 B13R0.284 CCCCCCC(C)N[C@@H](C)C(=O)O 269956a_100000743915_100011215978 [0,2,0,0,0,0|1,0,1]=4 2454 B11R1.27 CCCCOC1COC(=O)O1 34a_100000210227_100000032252 [1,0,0,1,0,0|2,0,0]=4 2455 B11R1.27 CCCCSC1COC(=O)O1 62a_100000210211_100000032252 [1,0,0,1,0,0|2,0,0]=4 2456 B11R1.27 CCCOCC1CNC(=O)O1 34a_100000210258_100000181169 [1,0,0,1,0,0|2,0,0]=4 2457 B11R1.27 CCCOCC1CNC(=O)O1 34a_100011315639_100000210303 [1,0,0,1,0,0|2,0,0]=4 2458 B11R1.27 CCCOCC1COC(=O)O1 34a_100000210258_100000073702 [1,0,0,1,0,0|2,0,0]=4 2459 B11R1.27 CCCSCC1CNC(=O)O1 62a_100000181169_100000210303 [1,0,0,1,0,0|2,0,0]=4 2460 B11R1.27 CCCSCC1CNC(=O)O1 62a_100000210303_100000181169 [1,0,0,1,0,0|2,0,0]=4 2461 B11R1.27 CCCSCC1COC(=O)O1 62a_100000073702_100000210303 [1,0,0,1,0,0|2,0,0]=4 2462 B11R1.27 CCCSCC1COC(=O)O1 62a_100000210303_100000073702 [1,0,0,1,0,0|2,0,0]=4 2463 B11R1.53 CCC1CCCCN1C(=O)C 11a_100000210034_100015343762 [1,0,0,1,0,0|2,0,0]=4 2464 B11R1.53 CCC1CCCCN1C(=O)C 1626a_100000210034_100015343762 [1,0,0,1,0,0|2,0,0]=4 2465 B11R1.53 CCC1CCCCN1C(=O)C 240690a_100000210034_100015343762 [1,0,0,1,0,0|2,0,0]=4 2466 B11R1.53 CCC1CCCCN1C(=O)C 527a_100000210034_100103153847 [1,0,0,1,0,0|2,0,0]=4 2467 B11R1.53 CCN1CCCC[C@@H]1C(=O)O 269956a_100000763471_100000210202 [1,0,0,1,0,0|1,0,1]=4 2468 B11R1.53 CN[C@@H]1CCCC[C@H]1C(=O)O 269956a_100009816435_200000210301 [1,0,0,1,0,0|1,0,1]=4 2469 B11R1.53 [13CH3]N[C@@H]1CCCC[C@H]1C(=O)O 269956a_100009816435_200025704644 [1,0,0,1,0,0|1,0,1]=4 2470 B11R1.86 CC(=O)NC1CCCCC1C 11a_100000211402_100015343762 [1,0,0,1,0,0|2,0,0]=4 2471 B11R1.86 CC(=O)NC1CCCCC1C 1626a_100000211402_100015343762 [1,0,0,1,0,0|2,0,0]=4 2472 B11R1.86 CC(=O)NC1CCCCC1C 240690a_100000211402_100015343762 [1,0,0,1,0,0|2,0,0]=4 2473 B11R1.86 CC(=O)NC1CCCCC1C 527a_100000211402_100103153847 [1,0,0,1,0,0|2,0,0]=4 2474 B11R1.91 CC(=O)C=CC1CCCCC1 1458a_100102566626_200000210301 [1,0,0,1,0,0|1,0,0]=3 2475 B11R1.91 CC(=O)CCC1CCCCC1 1458a_100000070787_100011273959 [1,0,0,1,0,0|1,0,1]=4 2476 B11R1.91 CC(=O)CCC1CCCCC1 1458a_100000211375_200000210301 [1,0,0,1,0,0|1,0,1]=4 2477 B11R1.91 CC(=O)NCC1CCCCC1 11a_100000210473_100015343762 [1,0,0,1,0,0|2,0,0]=4 2478 B11R1.91 CC(=O)NCC1CCCCC1 1626a_100000210473_100015343762 [1,0,0,1,0,0|2,0,0]=4 2479 B11R1.91 CC(=O)NCC1CCCCC1 240690a_100000210473_100015343762 [1,0,0,1,0,0|2,0,0]=4 2480 B11R1.91 CC(=O)NCC1CCCCC1 527a_100000210473_100103153847 [1,0,0,1,0,0|2,0,0]=4 2481 B11R1.91 O=C(O)CNC1CCCCC1 269956a_100016091260_100000210327 [1,0,0,1,0,0|1,0,1]=4 2482 B11R1.91 [13CH3]C(=O)C=CC1CCCCC1 1458a_100102566626_200025704644 [1,0,0,1,0,0|1,0,0]=3 2483 B11R1.91 [13CH3]C(=O)CCC1CCCCC1 1458a_100000211375_200025704644 [1,0,0,1,0,0|1,0,1]=4 2484 B11R1.143 CN1CCCCCC1C(=O)O 269956a_100000758484_200000210301 [1,0,0,1,0,0|1,0,1]=4 2485 B11R1.143 [13CH3]N1CCCCCC1C(=O)O 269956a_100000758484_200025704644 [1,0,0,1,0,0|1,0,1]=4 2486 B11R1.172 CC(=O)CCCC1CCCC1 1458a_100000070787_100011713738 [1,0,0,1,0,0|1,0,1]=4 2487 B11R1.172 CC(=O)NCCC1CCCC1 11a_100000739158_100015343762 [1,0,0,1,0,0|2,0,0]=4 2488 B11R1.172 CC(=O)NCCC1CCCC1 1626a_100000739158_100015343762 [1,0,0,1,0,0|2,0,0]=4 2489 B11R1.172 CC(=O)NCCC1CCCC1 240690a_100000739158_100015343762 [1,0,0,1,0,0|2,0,0]=4 2490 B11R1.172 CC(=O)NCCC1CCCC1 527a_100000739158_100103153847 [1,0,0,1,0,0|2,0,0]=4 2491 B11R1.172 O=C(O)CNCC1CCCC1 269956a_100016091260_100000740388 [1,0,0,1,0,0|1,0,1]=4 2492 B11R1.193 CCCN1CCC[C@H]1C(=O)O 269956a_100000743916_100000210207 [1,0,0,1,0,0|1,0,1]=4 2493 B11R1.204 CCCCN1CCC1C(=O)O 269956a_100000021838_100000210211 [1,0,0,1,0,0|1,0,1]=4 2494 B11R1.706 CC(=O)N1CCCCCCC1 11a_100000211400_100015343762 [1,0,0,1,0,0|2,0,0]=4 2495 B11R1.706 CC(=O)N1CCCCCCC1 1626a_100000211400_100015343762 [1,0,0,1,0,0|2,0,0]=4 2496 B11R1.706 CC(=O)N1CCCCCCC1 240690a_100000211400_100015343762 [1,0,0,1,0,0|2,0,0]=4 2497 B11R1.706 CC(=O)N1CCCCCCC1 527a_100000211400_100103153847 [1,0,0,1,0,0|2,0,0]=4 2498 B11R1.742 CC(=O)C=C1CCCCCC1 1458a_100011240665_200000210301 [1,0,0,1,0,0|1,0,0]=3 2499 B11R1.742 CC(=O)CC1CCCCCC1 1458a_100000070787_200000696569 [1,0,0,1,0,0|1,0,1]=4 2500 B11R1.742 CC(=O)CC1CCCCCC1 1458a_100000685095_200000210301 [1,0,0,1,0,0|1,0,1]=4 2501 B11R1.742 CC(=O)NC1CCCCCC1 11a_100000210984_100015343762 [1,0,0,1,0,0|2,0,0]=4 2502 B11R1.742 CC(=O)NC1CCCCCC1 1626a_100000210984_100015343762 [1,0,0,1,0,0|2,0,0]=4 2503 B11R1.742 CC(=O)NC1CCCCCC1 240690a_100000210984_100015343762 [1,0,0,1,0,0|2,0,0]=4 2504 B11R1.742 CC(=O)NC1CCCCCC1 527a_100000210984_100103153847 [1,0,0,1,0,0|2,0,0]=4 2505 B11R1.742 [13CH3]C(=O)C=C1CCCCCC1 1458a_100011240665_200025704644 [1,0,0,1,0,0|1,0,0]=3 2506 B11R1.742 [13CH3]C(=O)CC1CCCCCC1 1458a_100000685095_200025704644 [1,0,0,1,0,0|1,0,1]=4 2507 B11R1.4 CCCCCSc1ccco1 62a_100000210326_100009814098 [1,0,0,1,0,0|1,0,1]=4 2508 B11R1.4 CCCCCSc1ccco1 62a_100009814098_100000210326 [1,0,0,1,0,0|1,0,1]=4 2509 B11R1.4 CCCCNCc1ccco1 207a_100000102301_100000186105 [1,0,0,1,0,0|1,0,1]=4 2510 B11R1.4 CCCCNCc1ccco1 2230a_100000185738_100000210211 [1,0,0,1,0,0|1,0,1]=4 2511 B11R1.4 CCCCNCc1ccco1 270004a_100000102301_100000186105 [1,0,0,1,0,0|1,0,1]=4 2512 B11R1.4 CCCCNCc1ccco1 34a_100000185738_100000210210 [1,0,0,1,0,0|1,0,1]=4 2513 B11R1.4 CCCCOCc1ccco1 34a_100000210059_100000210210 [1,0,0,1,0,0|1,0,1]=4 2514 B11R1.4 CCCNCCc1ccco1 2230a_100000694680_100000210303 [1,0,0,1,0,0|1,0,1]=4 2515 B11R1.4 CCCNCCc1ccco1 34a_100000694680_100000210303 [1,0,0,1,0,0|1,0,1]=4 2516 B11R1.4 O=CCNCCC1CCCC1 2230a_100000739158_200015260668 [1,0,0,1,0,0|1,0,1]=4 2517 B11R1.4 O=CCNCCC1CCCC1 34a_100000739158_200009817547 [1,0,0,1,0,0|1,0,1]=4 2518 B11R1.4 O=CCOCCC1CCCC1 34a_100000749090_200009817547 [1,0,0,1,0,0|1,0,1]=4 2519 B11R1.4 O=CCOCCC1CCCC1 7a_100000749090_200015260668 [1,0,0,1,0,0|1,0,1]=4 2520 B11R1.4 O=CCSCCC1CCCC1 62a_100000760354_200015260668 [1,0,0,1,0,0|1,0,1]=4 2521 B11R1.4 O=CCSCCC1CCCC1 62a_200015260668_100000760354 [1,0,0,1,0,0|1,0,1]=4 2522 B11R1.17 CC1CCCCC1NCC=O 2230a_100000211402_200015260668 [1,0,0,1,0,0|1,0,1]=4 2523 B11R1.17 CC1CCCCC1NCC=O 34a_100000211402_200009817547 [1,0,0,1,0,0|1,0,1]=4 2524 B11R1.17 CC1CCCCC1OCC=O 34a_100000211207_200009817547 [1,0,0,1,0,0|1,0,1]=4 2525 B11R1.17 CC1CCCCC1OCC=O 7a_100000211207_200015260668 [1,0,0,1,0,0|1,0,1]=4 2526 B11R1.28 CCCOCC1CCC=CO1 34a_100011217868_100000210303 [1,0,0,1,0,0|1,0,1]=4 2527 B11R1.28 O=CCNCC1CCCCC1 2230a_100000210473_200015260668 [1,0,0,1,0,0|1,0,1]=4 2528 B11R1.28 O=CCNCC1CCCCC1 34a_100000210473_200009817547 [1,0,0,1,0,0|1,0,1]=4 2529 B11R1.28 O=CCOCC1CCCCC1 34a_100000212181_200009817547 [1,0,0,1,0,0|1,0,1]=4 2530 B11R1.28 O=CCOCC1CCCCC1 7a_100000212181_200015260668 [1,0,0,1,0,0|1,0,1]=4 2531 B11R1.28 O=CCSCC1CCCCC1 62a_100000211423_200015260668 [1,0,0,1,0,0|1,0,1]=4 2532 B11R1.28 O=CCSCC1CCCCC1 62a_200015260668_100000211423 [1,0,0,1,0,0|1,0,1]=4 2533 B11R1.41 CCC1CCCCN1CC=O 2230a_100000210034_200015260668 [1,0,0,1,0,0|1,0,1]=4 2534 B11R1.41 CCC1CCCCN1CC=O 269982a_100000210034_200015260668 [1,0,0,1,0,0|1,0,1]=4 2535 B11R1.41 CCC1CCCCN1CC=O 34a_100000210034_200009817547 [1,0,0,1,0,0|1,0,1]=4 2536 B11R1.117 O=CCN1CCCCCCC1 2230a_100000211400_200015260668 [1,0,0,1,0,0|1,0,1]=4 2537 B11R1.117 O=CCN1CCCCCCC1 269982a_100000211400_200015260668 [1,0,0,1,0,0|1,0,1]=4 2538 B11R1.117 O=CCN1CCCCCCC1 34a_100000211400_200009817547 [1,0,0,1,0,0|1,0,1]=4 2539 B11R1.203 O=CCNC1CCCCCC1 2230a_100000210984_200015260668 [1,0,0,1,0,0|1,0,1]=4 2540 B11R1.203 O=CCNC1CCCCCC1 34a_100000210984_200009817547 [1,0,0,1,0,0|1,0,1]=4 2541 B11R1.203 O=CCOC1CCCCCC1 34a_100000210887_200009817547 [1,0,0,1,0,0|1,0,1]=4 2542 B11R1.203 O=CCOC1CCCCCC1 7a_100000210887_200015260668 [1,0,0,1,0,0|1,0,1]=4 2543 B11R1.203 O=CCSC1CCCCCC1 62a_100011217769_200015260668 [1,0,0,1,0,0|1,0,1]=4 2544 B11R1.203 O=CCSC1CCCCCC1 62a_200015260668_100011217769 [1,0,0,1,0,0|1,0,1]=4 2545 B13R1.27 CCCCCCCc1nc(no1)C 270196a_100000212224_100000211969 [0,1,0,1,0,0|2,0,0]=4 2546 B13R1.27 CCCCCCCc1noc(n1)C 270196a_200011216759_100000070787 [0,1,0,1,0,0|2,0,0]=4 2547 B13R1.27 CCCCCCCc1noc(n1)O 270196a_200011216759_100015183105 [0,1,0,1,0,0|1,0,1]=4 2548 B13R1.27 CCCCCCOC1COC(=O)O1 34a_100000210259_100000032252 [0,1,0,1,0,0|1,0,1]=4 2549 B13R1.27 CCCCCCSC1COC(=O)O1 62a_100000210314_100000032252 [0,1,0,1,0,0|1,0,1]=4 2550 B13R1.27 CCCCCCSc1cc(on1)C 62a_100000210314_100000716708 [0,1,0,1,0,0|2,0,0]=4 2551 B13R1.27 CCCCCCSc1cc(on1)C 62a_100000716708_100000210757 [0,1,0,1,0,0|2,0,0]=4 2552 B13R1.27 CCCCCNCC1CNC(=O)O1 2230a_100000209983_100000181169 [0,1,0,1,0,0|1,0,1]=4 2553 B13R1.27 CCCCCNCc1cc(co1)Br 270004a_100000209983_100000747035 [0,1,0,1,0,0|2,0,0]=4 2554 B13R1.27 CCCCCNCc1cc(no1)Br 2230a_100015193020_100000210326 [0,1,0,1,0,0|2,0,0]=4 2555 B13R1.27 CCCCCNCc1cc(no1)Br 270004a_100000209983_100009819588 [0,1,0,1,0,0|2,0,0]=4 2556 B13R1.27 CCCCCNCc1cc(no1)Br 34a_100015193020_100000718602 [0,1,0,1,0,0|2,0,0]=4 2557 B13R1.27 CCCCCNCc1cc(no1)C 207a_100000209983_100011794430 [0,1,0,1,0,0|2,0,0]=4 2558 B13R1.27 CCCCCNCc1cc(no1)C 2230a_100000209983_100000707947 [0,1,0,1,0,0|2,0,0]=4 2559 B13R1.27 CCCCCNCc1cc(no1)C 2230a_100000745748_100000210326 [0,1,0,1,0,0|2,0,0]=4 2560 B13R1.27 CCCCCNCc1cc(no1)C 270004a_100000209983_100011794430 [0,1,0,1,0,0|2,0,0]=4 2561 B13R1.27 CCCCCNCc1cc(no1)C 34a_100000745748_100000718602 [0,1,0,1,0,0|2,0,0]=4 2562 B13R1.27 CCCCCNCc1cc(on1)C 207a_100000209983_100011217994 [0,1,0,1,0,0|2,0,0]=4 2563 B13R1.27 CCCCCNCc1cc(on1)C 2230a_100000209983_100000199038 [0,1,0,1,0,0|2,0,0]=4 2564 B13R1.27 CCCCCNCc1cc(on1)C 2230a_100000745230_100000210326 [0,1,0,1,0,0|2,0,0]=4 2565 B13R1.27 CCCCCNCc1cc(on1)C 270004a_100000209983_100011217994 [0,1,0,1,0,0|2,0,0]=4 2566 B13R1.27 CCCCCNCc1cc(on1)C 34a_100000745230_100000718602 [0,1,0,1,0,0|2,0,0]=4 2567 B13R1.27 CCCCCNCc1ccc(o1)Br 207a_100000209983_100000185145 [0,1,0,1,0,0|1,0,1]=4 2568 B13R1.27 CCCCCNCc1ccc(o1)Br 270004a_100000209983_100000185145 [0,1,0,1,0,0|1,0,1]=4 2569 B13R1.27 CCCCCNCc1ccc(o1)Br 34a_100000708654_100000718602 [0,1,0,1,0,0|1,0,1]=4 2570 B13R1.27 CCCCCNCc1ccc(o1)C 207a_100000209983_100000183696 [0,1,0,1,0,0|1,0,1]=4 2571 B13R1.27 CCCCCNCc1ccc(o1)C 270004a_100000209983_100000183696 [0,1,0,1,0,0|1,0,1]=4 2572 B13R1.27 CCCCCNCc1ccc(o1)C 34a_100011194323_100000718602 [0,1,0,1,0,0|1,0,1]=4 2573 B13R1.27 CCCCCNCc1ccc(o1)Cl 207a_100000209983_100000188459 [0,1,0,1,0,0|1,0,1]=4 2574 B13R1.27 CCCCCNCc1ccc(o1)Cl 270004a_100000209983_100000188459 [0,1,0,1,0,0|1,0,1]=4 2575 B13R1.27 CCCCCNCc1ccc(o1)I 207a_100000209983_100000186757 [0,1,0,1,0,0|1,0,1]=4 2576 B13R1.27 CCCCCNCc1cnc(o1)C 207a_100000209983_100000084308 [0,1,0,1,0,0|2,0,0]=4 2577 B13R1.27 CCCCCNCc1cnc(o1)C 270004a_100000209983_100000084308 [0,1,0,1,0,0|2,0,0]=4 2578 B13R1.27 CCCCCNCc1ncc(o1)C 2230a_100138411809_100000210326 [0,1,0,1,0,0|2,0,0]=4 2579 B13R1.27 CCCCCNCc1ncc(o1)C 34a_100138411809_100000718602 [0,1,0,1,0,0|2,0,0]=4 2580 B13R1.27 CCCCCOCC1=CC(=O)OC1 34a_100000210253_100000716558 [0,1,0,1,0,0|1,0,0]=3 2581 B13R1.27 CCCCCOCC1CNC(=O)O1 34a_100000210253_100000181169 [0,1,0,1,0,0|1,0,1]=4 2582 B13R1.27 CCCCCOCC1CNC(=O)O1 34a_100011315639_100000718602 [0,1,0,1,0,0|1,0,1]=4 2583 B13R1.27 CCCCCOCC1CNC(=O)O1 7a_100000210253_100000181169 [0,1,0,1,0,0|1,0,1]=4 2584 B13R1.27 CCCCCOCC1COC(=O)O1 34a_100000210253_100000073702 [0,1,0,1,0,0|1,0,1]=4 2585 B13R1.27 CCCCCOCc1cc(no1)Br 34a_100009816691_100000718602 [0,1,0,1,0,0|2,0,0]=4 2586 B13R1.27 CCCCCOCc1cc(no1)Br 7a_100000210253_100000709089 [0,1,0,1,0,0|2,0,0]=4 2587 B13R1.27 CCCCCOCc1cc(no1)C 34a_100000210253_100000707947 [0,1,0,1,0,0|2,0,0]=4 2588 B13R1.27 CCCCCOCc1cc(no1)C 34a_100000684692_100000718602 [0,1,0,1,0,0|2,0,0]=4 2589 B13R1.27 CCCCCOCc1cc(no1)C 7a_100000210253_100000707947 [0,1,0,1,0,0|2,0,0]=4 2590 B13R1.27 CCCCCOCc1cc(on1)C 34a_100000210253_100000199038 [0,1,0,1,0,0|2,0,0]=4 2591 B13R1.27 CCCCCOCc1cc(on1)C 34a_100011216401_100000718602 [0,1,0,1,0,0|2,0,0]=4 2592 B13R1.27 CCCCCOCc1cc(on1)C 7a_100000210253_100000199038 [0,1,0,1,0,0|2,0,0]=4 2593 B13R1.27 CCCCCOCc1ccc(o1)Br 34a_100000246276_100000718602 [0,1,0,1,0,0|1,0,1]=4 2594 B13R1.27 CCCCCOCc1ccc(o1)Br 7a_100000246276_100000210326 [0,1,0,1,0,0|1,0,1]=4 2595 B13R1.27 CCCCCOCc1ccc(o1)C 34a_100011232665_100000718602 [0,1,0,1,0,0|1,0,1]=4 2596 B13R1.27 CCCCCOCc1ccc(o1)C 7a_100011232665_100000210326 [0,1,0,1,0,0|1,0,1]=4 2597 B13R1.27 CCCCCSCC1=CC(=O)OC1 62a_100000210326_100000716558 [0,1,0,1,0,0|1,0,0]=3 2598 B13R1.27 CCCCCSCC1=CC(=O)OC1 62a_100000716558_100000210326 [0,1,0,1,0,0|1,0,0]=3 2599 B13R1.27 CCCCCSCC1CNC(=O)O1 62a_100000181169_100000210326 [0,1,0,1,0,0|1,0,1]=4 2600 B13R1.27 CCCCCSCC1CNC(=O)O1 62a_100000210326_100000181169 [0,1,0,1,0,0|1,0,1]=4 2601 B13R1.27 CCCCCSCC1COC(=O)O1 62a_100000073702_100000210326 [0,1,0,1,0,0|1,0,1]=4 2602 B13R1.27 CCCCCSCC1COC(=O)O1 62a_100000210326_100000073702 [0,1,0,1,0,0|1,0,1]=4 2603 B13R1.27 CCCCCSCc1cc(no1)Br 62a_100000210326_100000709089 [0,1,0,1,0,0|2,0,0]=4 2604 B13R1.27 CCCCCSCc1cc(no1)Br 62a_100000709089_100000210326 [0,1,0,1,0,0|2,0,0]=4 2605 B13R1.27 CCCCCSCc1cc(no1)C 62a_100000210326_100000707947 [0,1,0,1,0,0|2,0,0]=4 2606 B13R1.27 CCCCCSCc1cc(no1)C 62a_100000707947_100000210326 [0,1,0,1,0,0|2,0,0]=4 2607 B13R1.27 CCCCCSCc1cc(on1)C 62a_100000199038_100000210326 [0,1,0,1,0,0|2,0,0]=4 2608 B13R1.27 CCCCCSCc1cc(on1)C 62a_100000210326_100000199038 [0,1,0,1,0,0|2,0,0]=4 2609 B13R1.27 CCCCNCCc1ccc(o1)C 2230a_100000739271_100000210211 [0,1,0,1,0,0|1,0,1]=4 2610 B13R1.27 CCCCNCCc1ccc(o1)C 34a_100000739271_100000210210 [0,1,0,1,0,0|1,0,1]=4 2611 B13R1.27 CCCCOCCc1cc(no1)Br 34a_100009816916_100000210210 [0,1,0,1,0,0|2,0,0]=4 2612 B13R1.27 CCCCOCCc1ccc(o1)C 34a_100012161071_100000210210 [0,1,0,1,0,0|1,0,1]=4 2613 B13R1.27 CCCCOCCc1ccc(o1)C 7a_100012161071_100000210211 [0,1,0,1,0,0|1,0,1]=4 2614 B13R1.27 CCOCCNCC1=CC(=O)OC1 34a_102516460346_100000716558 [0,1,0,1,0,0|2,0,0]=4 2615 B13R1.27 CCOCCOCC1=CC(=O)OC1 34a_100000210136_100000716558 [0,1,0,1,0,0|2,0,0]=4 2616 B13R1.27 CCOCCSCC1=CC(=O)OC1 62a_100000210147_100000716558 [0,1,0,1,0,0|2,0,0]=4 2617 B13R1.27 CCOCCSCC1=CC(=O)OC1 62a_100000716558_100011215890 [0,1,0,1,0,0|2,0,0]=4 2618 B13R1.27 CCSCCOCC1=CC(=O)OC1 34a_100000212035_100000716558 [0,1,0,1,0,0|2,0,0]=4 2619 B13R1.27 CCSCCSCC1=CC(=O)OC1 62a_100000716558_100000757381 [0,1,0,1,0,0|2,0,0]=4 2620 B13R1.27 CCSCCSCC1=CC(=O)OC1 62a_100000757381_100000716558 [0,1,0,1,0,0|2,0,0]=4 2621 B13R1.27 CNCCCOCC1=CC(=O)OC1 34a_100000213112_100000716558 [0,1,0,1,0,0|2,0,0]=4 2622 B13R1.27 COCCCNCC1=CC(=O)OC1 34a_100150723488_100000716558 [0,1,0,1,0,0|2,0,0]=4 2623 B13R1.27 COCCCOCC1=CC(=O)OC1 34a_100000740835_100000716558 [0,1,0,1,0,0|2,0,0]=4 2624 B13R1.27 COCCCSCC1=CC(=O)OC1 62a_100000709357_100000716558 [0,1,0,1,0,0|2,0,0]=4 2625 B13R1.27 COCCCSCC1=CC(=O)OC1 62a_100000716558_100000709357 [0,1,0,1,0,0|2,0,0]=4 2626 B13R1.27 CSCCCOCC1=CC(=O)OC1 34a_100000690336_100000716558 [0,1,0,1,0,0|2,0,0]=4 2627 B13R1.27 NCCCCOCC1=CC(=O)OC1 34a_100000750430_100000716558 [0,1,0,1,0,0|2,0,0]=4 2628 B13R1.27 O=C1C=C(CO1)CNCCCCO 34a_100000750430_100000716558 [0,1,0,1,0,0|2,0,0]=4 2629 B13R1.27 O=C1C=C(CO1)COCCCCBr 34a_100011216708_100000716558 [0,1,0,1,0,0|2,0,0]=4 2630 B13R1.27 O=C1C=C(CO1)COCCCCCl 34a_100000210776_100000716558 [0,1,0,1,0,0|2,0,0]=4 2631 B13R1.27 O=C1C=C(CO1)COCCCCF 34a_100011995726_100000716558 [0,1,0,1,0,0|2,0,0]=4 2632 B13R1.27 O=C1C=C(CO1)COCCCCI 34a_200012148704_100000716558 [0,1,0,1,0,0|2,0,0]=4 2633 B13R1.27 O=C1C=C(CO1)CSCCCCF 62a_100000716558_100000729493 [0,1,0,1,0,0|2,0,0]=4 2634 B13R1.27 O=C1C=C(CO1)CSCCCCF 62a_100000729493_100000716558 [0,1,0,1,0,0|2,0,0]=4 2635 B13R1.27 O=C1C=C(CO1)CSCCCCO 62a_100000210776_100000716558 [0,1,0,1,0,0|2,0,0]=4 2636 B13R1.27 O=C1C=C(CO1)CSCCCCO 62a_100000716558_100000210776 [0,1,0,1,0,0|2,0,0]=4 2637 B13R1.201 CC1CCCCC1C(=O)CC(=O)N 1458a_100011215568_100000187820 [0,1,0,1,0,0|1,0,1]=4 2638 B13R1.201 CC1CCCCC1C(=O)CC(=O)[O-] 1458a_100011215568_100020667443 [0,1,0,1,0,0|0,0,2]=4 2639 B13R1.348 CC(=CC(=O)CC1CCCCC1)C 1458a_100000211388_100000211423 [0,1,0,1,0,0|2,0,0]=4 2640 B13R1.348 CC(=CC(=O)CC1CCCCC1)Cl 1458a_200042562850_100000211423 [0,1,0,1,0,0|2,0,0]=4 2641 B13R1.348 CC(=CC(=O)CC1CCCCC1)I 1458a_100025716642_100000211423 [0,1,0,1,0,0|2,0,0]=4 2642 B13R1.348 CN(CC(=O)O)CC1CCCCC1 269956a_100000746989_100000211423 [0,1,0,1,0,0|1,0,1]=4 2643 B13R1.348 NC(=O)CC(=O)CC1CCCCC1 1458a_100000211666_100000187820 [0,1,0,1,0,0|1,0,1]=4 2644 B13R1.348 NC(=O)CC(=O)CC1CCCCC1 1458a_100134613110_100000211423 [0,1,0,1,0,0|1,0,1]=4 2645 B13R1.348 O=C(C=C(Cl)Cl)CC1CCCCC1 1458a_100000137448_100000211423 [0,1,0,1,0,0|2,0,0]=4 2646 B13R1.348 O=C([O-])CC(=O)CC1CCCCC1 1458a_100000211666_100020667443 [0,1,0,1,0,0|0,0,2]=4 2647 B13R1.593 CC(=CC(=O)CCC1CCCC1)C 1458a_100000211388_100000760354 [0,1,0,1,0,0|2,0,0]=4 2648 B13R1.593 CC(=CC(=O)CCC1CCCC1)Cl 1458a_200042562850_100000760354 [0,1,0,1,0,0|2,0,0]=4 2649 B13R1.593 CC(=CC(=O)CCC1CCCC1)I 1458a_100025716642_100000760354 [0,1,0,1,0,0|2,0,0]=4 2650 B13R1.593 CN(CCC1CCCC1)CC(=O)O 269956a_100000746989_100000760354 [0,1,0,1,0,0|1,0,1]=4 2651 B13R1.593 NC(=O)CC(=O)CCC1CCCC1 1458a_100000211120_100000187820 [0,1,0,1,0,0|1,0,1]=4 2652 B13R1.593 NC(=O)CC(=O)CCC1CCCC1 1458a_100134613110_100000760354 [0,1,0,1,0,0|1,0,1]=4 2653 B13R1.593 O=C(C=C(Cl)Cl)CCC1CCCC1 1458a_100000137448_100000760354 [0,1,0,1,0,0|2,0,0]=4 2654 B13R1.593 O=C([O-])CC(=O)CCC1CCCC1 1458a_100000211120_100020667443 [0,1,0,1,0,0|0,0,2]=4 2655 B13R1.7456 CC(=CC(=O)C1CCCCCC1)C 1458a_100000211388_100011217769 [0,1,0,1,0,0|2,0,0]=4 2656 B13R1.7456 CC(=CC(=O)C1CCCCCC1)Cl 1458a_200042562850_100011217769 [0,1,0,1,0,0|2,0,0]=4 2657 B13R1.7456 CC(=CC(=O)C1CCCCCC1)I 1458a_100025716642_100011217769 [0,1,0,1,0,0|2,0,0]=4 2658 B13R1.7456 CN(CC(=O)O)C1CCCCCC1 269956a_100000746989_100011217769 [0,1,0,1,0,0|1,0,1]=4 2659 B13R1.7456 CN(CC(=O)O)C1CCCCCC1 269956a_200011259081_200000210301 [0,1,0,1,0,0|1,0,1]=4 2660 B13R1.7456 NC(=O)CC(=O)C1CCCCCC1 1458a_100000749507_100000187820 [0,1,0,1,0,0|1,0,1]=4 2661 B13R1.7456 NC(=O)CC(=O)C1CCCCCC1 1458a_100134613110_100011217769 [0,1,0,1,0,0|1,0,1]=4 2662 B13R1.7456 O=C(C=C(Cl)Cl)C1CCCCCC1 1458a_100000137448_100011217769 [0,1,0,1,0,0|2,0,0]=4 2663 B13R1.7456 O=C([O-])CC(=O)C1CCCCCC1 1458a_100000749507_100020667443 [0,1,0,1,0,0|0,0,2]=4 2664 B13R1.7456 [13CH3]N(CC(=O)O)C1CCCCCC1 269956a_200011259081_200025704644 [0,1,0,1,0,0|1,0,1]=4 2665 B13R1.158 CC1CCCCN1C/C=C/B(O)O 2230a_100000211376_100016262062 [0,1,0,1,0,0|1,0,1]=4 2666 B13R1.158 CC1CCCCN1C/C=C/B(O)O 269982a_100000211376_100016262062 [0,1,0,1,0,0|1,0,1]=4 2667 B13R1.158 CC1CCCCN1C/C=C/B(O)O 34a_100000211376_100016262062 [0,1,0,1,0,0|1,0,1]=4 2668 B13R1.158 CN1CCCCC1CNCC(=O)O 269956a_100016091260_100015185383 [0,1,0,1,0,0|1,0,1]=4 2669 B13R1.337 CC(=O)NN=CCC1CCCCC1 4a_100000189765_100011713444 [0,1,0,1,0,0|2,0,0]=4 2670 B13R1.337 O=C(O)CNCCC1CCCCC1 269956a_100016091260_100011273959 [0,1,0,1,0,0|0,0,2]=4 2671 B13R1.337 O=C(O)CNCCC1CCOCC1 269956a_100016091260_100011934994 [0,1,0,1,0,0|1,0,1]=4 2672 B13R1.337 O=C(O)CNCCN1CCCCC1 269956a_100016091260_100000739454 [0,1,0,1,0,0|1,0,1]=4 2673 B13R1.337 O=C(O)CNCOC1CCCCC1 269956a_100016091260_100011935260 [0,1,0,1,0,0|1,0,1]=4 2674 B13R1.337 O=C(O)CONCC1CCCCC1 269956a_100000106656_100000211423 [0,1,0,1,0,0|1,0,1]=4 2675 B13R1.337 OB(O)/C=C/CNC1CCCCC1 2230a_100000182618_100016262062 [0,1,0,1,0,0|1,0,1]=4 2676 B13R1.337 OB(O)/C=C/CNC1CCCCC1 34a_100000182618_100016262062 [0,1,0,1,0,0|1,0,1]=4 2677 B13R1.337 OB(O)/C=C/COC1CCCCC1 34a_100000210231_100016262062 [0,1,0,1,0,0|1,0,1]=4 2678 B13R1.337 OB(O)/C=C/COC1CCCCC1 7a_100000210231_100016262062 [0,1,0,1,0,0|1,0,1]=4 2679 B13R1.337 OB(O)/C=C/CSC1CCCCC1 62a_100000210327_100016262062 [0,1,0,1,0,0|1,0,1]=4 2680 B13R1.337 OB(O)/C=C/CSC1CCCCC1 62a_100016262062_100000210327 [0,1,0,1,0,0|1,0,1]=4 2681 B13R1.297 CC1CCN1CCC/C=C/B(O)O 269982a_100000755817_200016261450 [0,1,0,1,0,0|1,0,1]=4 2682 B13R1.297 CC1CCN1CCC/C=C/B(O)O 34a_100000755817_200016261450 [0,1,0,1,0,0|1,0,1]=4 2683 B13R1.538 COC(=O)/C=C/COCC1CC1C 34a_100000744939_100000742655 [0,1,0,1,0,0|1,0,0]=3 2684 B13R1.538 COC(=O)/C=C/COCC1CC1C 7a_100000744939_100000742655 [0,1,0,1,0,0|1,0,0]=3 2685 B13R1.586 O=C(O)COCCNCC1CCC1 269956a_100000700818_100000763275 [0,1,0,1,0,0|1,0,1]=4 2686 B13R1.586 OB(O)/C=C/CCCNC1CCC1 2230a_100000749019_200016261450 [0,1,0,1,0,0|1,0,1]=4 2687 B13R1.586 OB(O)/C=C/CCCNC1CCC1 34a_100000749019_200016261450 [0,1,0,1,0,0|1,0,1]=4 2688 B13R1.586 OB(O)/C=C/CCCOC1CCC1 34a_100000748187_200016261450 [0,1,0,1,0,0|1,0,1]=4 2689 B13R1.586 OB(O)/C=C/CCCSC1CCC1 62a_200016261450_100000749161 [0,1,0,1,0,0|1,0,1]=4 2690 B13R1.594 COC(=O)/C=C/CNCCC1CC1 34a_100000764129_100000742655 [0,1,0,1,0,0|1,0,0]=3 2691 B13R1.594 COC(=O)/C=C/COCCC1CC1 34a_100000754188_100000742655 [0,1,0,1,0,0|1,0,0]=3 2692 B13R1.594 COC(=O)/C=C/COCCC1CC1 7a_100000754188_100000742655 [0,1,0,1,0,0|1,0,0]=3 2693 B13R1.594 COC(=O)/C=C/COCC[C@@H]1CO1 34a_100009820653_100000742655 [0,1,0,1,0,0|2,0,0]=4 2694 B13R1.594 COC(=O)/C=C/CSCCC1CC1 62a_100000742655_100000764125 [0,1,0,1,0,0|1,0,0]=3 2695 B13R1.594 COC(=O)/C=C/CSCCC1CC1 62a_100000764125_100000742655 [0,1,0,1,0,0|1,0,0]=3 2696 B13R1.594 COC(=O)/C=C/CSCCC1CO1 62a_100000732470_100000742655 [0,1,0,1,0,0|2,0,0]=4 2697 B13R1.594 COC(=O)/C=C/CSCCC1CO1 62a_100000742655_100000732470 [0,1,0,1,0,0|2,0,0]=4 2698 B13R1.1988 CC(=O)NN=CC1CCCCCC1 4a_100000189765_200000763224 [0,1,0,1,0,0|2,0,0]=4 2699 B13R1.1988 O=C(O)CNCC1CCCCCC1 269956a_100016091260_200000696569 [0,1,0,1,0,0|0,0,2]=4 2700 B13R1.1988 O=C(O)CONC1CCCCCC1 269956a_100000106656_100011217769 [0,1,0,1,0,0|1,0,1]=4 2701 B13R1.1988 OB(O)/C=C/CN1CCCCCC1 2230a_100000185865_100016262062 [0,1,0,1,0,0|1,0,1]=4 2702 B13R1.1988 OB(O)/C=C/CN1CCCCCC1 269982a_100000185865_100016262062 [0,1,0,1,0,0|1,0,1]=4 2703 B13R1.1988 OB(O)/C=C/CN1CCCCCC1 34a_100000185865_100016262062 [0,1,0,1,0,0|1,0,1]=4 2704 B13R1.6 CCCCCCc1cccc(c1)O 271570a_203496583355_100009816010 [0,1,0,1,0,0|1,0,1]=4 2705 B13R1.90 CCC1CCCCC1=NNC(=O)C 4a_100000189765_100000757040 [0,1,0,1,0,0|2,0,0]=4 2706 B13R1.90 CCN1CCCCC1CCC(=O)O 269956a_100000694054_100000210202 [0,1,0,1,0,0|0,0,2]=4 2707 B13R1.103 CCC1CCCN1C/C=C/B(O)O 2230a_100000754278_100016262062 [0,1,0,1,0,0|1,0,1]=4 2708 B13R1.103 CCC1CCCN1C/C=C/B(O)O 269982a_100000754278_100016262062 [0,1,0,1,0,0|1,0,1]=4 2709 B13R1.103 CCC1CCCN1C/C=C/B(O)O 34a_100000754278_100016262062 [0,1,0,1,0,0|1,0,1]=4 2710 B13R1.167 CC1CCCC1OC/C=C/B(O)O 34a_100011216460_100016262062 [0,1,0,1,0,0|1,0,1]=4 2711 B13R1.167 CC1CCCC1OC/C=C/B(O)O 7a_100011216460_100016262062 [0,1,0,1,0,0|1,0,1]=4 2712 B13R1.167 CN1CCCC1CCNCC(=O)O 269956a_100016091260_100000005710 [0,1,0,1,0,0|1,0,1]=4 2713 B13R1.224 CCCN1CCCCCC1C(=O)O 269956a_100000758484_100000210207 [0,1,0,1,0,0|0,0,2]=4 2714 B13R1.343 CC(=O)NN=CCCC1CCCC1 4a_100000189765_100011713431 [0,1,0,1,0,0|2,0,0]=4 2715 B13R1.343 O=C(O)CNCCCC1CCCC1 269956a_100016091260_100011713738 [0,1,0,1,0,0|0,0,2]=4 2716 B13R1.343 O=C(O)CNCCCN1CCCC1 269956a_100016091260_100011445909 [0,1,0,1,0,0|1,0,1]=4 2717 B13R1.343 O=C(O)COCCNC1CCCC1 269956a_100000700818_100000179811 [0,1,0,1,0,0|1,0,1]=4 2718 B13R1.343 O=C(O)CONCCC1CCCC1 269956a_100000106656_100000760354 [0,1,0,1,0,0|1,0,1]=4 2719 B13R1.343 OB(O)/C=C/CCCN1CCCC1 2230a_100000188435_200016261450 [0,1,0,1,0,0|1,0,1]=4 2720 B13R1.343 OB(O)/C=C/CCCN1CCCC1 269982a_100000188435_200016261450 [0,1,0,1,0,0|1,0,1]=4 2721 B13R1.343 OB(O)/C=C/CNCC1CCCC1 2230a_100000737975_100016262062 [0,1,0,1,0,0|1,0,1]=4 2722 B13R1.343 OB(O)/C=C/CNCC1CCCC1 34a_100000737975_100016262062 [0,1,0,1,0,0|1,0,1]=4 2723 B13R1.343 OB(O)/C=C/COCC1CCCC1 34a_100000742336_100016262062 [0,1,0,1,0,0|1,0,1]=4 2724 B13R1.343 OB(O)/C=C/COCC1CCCC1 7a_100000742336_100016262062 [0,1,0,1,0,0|1,0,1]=4 2725 B13R1.343 OB(O)/C=C/CSCC1CCCC1 62a_100000740388_100016262062 [0,1,0,1,0,0|1,0,1]=4 2726 B13R1.343 OB(O)/C=C/CSCC1CCCC1 62a_100016262062_100000740388 [0,1,0,1,0,0|1,0,1]=4 2727 B13R1.392 CCCC1CCCC1=NNC(=O)C 4a_100000189765_100000723119 [0,1,0,1,0,0|2,0,0]=4 2728 B13R1.572 CCCCN1CCCC[C@@H]1C(=O)O 269956a_100000763471_100000210211 [0,1,0,1,0,0|0,0,2]=4 2729 B13R1.572 CCCN[C@@H]1CCCC[C@H]1C(=O)O 269956a_100009816435_100000210207 [0,1,0,1,0,0|0,0,2]=4 2730 B13R1.614 CN[C@@H]1CCCCCC[C@@H]1C(=O)O 269956a_200049070474_200000210301 [0,1,0,1,0,0|0,0,2]=4 2731 B13R1.614 [13CH3]N[C@@H]1CCCCCC[C@@H]1C(=O)O 269956a_200049070474_200025704644 [0,1,0,1,0,0|0,0,2]=4 2732 B13R1.670 CCCCCN1CC=C[C@H]1C(=O)O 269956a_100000057196_100000210326 [0,1,0,1,0,0|1,0,0]=3 2733 B13R1.670 CCCCCN1CCC[C@H]1C(=O)O 269956a_100000743916_100000210326 [0,1,0,1,0,0|0,0,2]=4 2734 B13R1.670 CCCCCN1CCSC1C(=O)O 269956a_100000035718_100000210326 [0,1,0,1,0,0|1,0,1]=4 2735 B13R1.670 CCOCCN1CC=C[C@H]1C(=O)O 269956a_100000057196_100000210147 [0,1,0,1,0,0|2,0,0]=4 2736 B13R1.670 CCSCCN1CC=C[C@H]1C(=O)O 269956a_100000057196_100000757381 [0,1,0,1,0,0|2,0,0]=4 2737 B13R1.670 COCCCN1CC=C[C@H]1C(=O)O 269956a_100000057196_100000740836 [0,1,0,1,0,0|2,0,0]=4 2738 B13R1.670 O=C(O)[C@@H]1C=CCN1CCCCF 269956a_100000057196_100000729493 [0,1,0,1,0,0|2,0,0]=4 2739 B13R1.670 O=C(O)[C@@H]1C=CCN1CCCCO 269956a_100000057196_100000210776 [0,1,0,1,0,0|2,0,0]=4 2740 B13R1.1022 CC(=O)NN=C1CCCCCCC1 4a_100000189765_100000210524 [0,1,0,1,0,0|2,0,0]=4 2741 B13R1.1052 O=C(O)COCCNCCC1CC1 269956a_100000700818_100000694398 [0,1,0,1,0,0|1,0,1]=4 2742 B13R1.1052 OB(O)/C=C/CCCNCC1CC1 2230a_100000735609_200016261450 [0,1,0,1,0,0|1,0,1]=4 2743 B13R1.1052 OB(O)/C=C/CCCNCC1CC1 34a_100000735609_200016261450 [0,1,0,1,0,0|1,0,1]=4 2744 B13R1.1052 OB(O)/C=C/CCCOCC1CC1 34a_100000211283_200016261450 [0,1,0,1,0,0|1,0,1]=4 2745 B13R1.1052 OB(O)/C=C/CCCSCC1CC1 62a_100000756562_200016261450 [0,1,0,1,0,0|1,0,1]=4 2746 B13R1.1052 OB(O)/C=C/CCCSCC1CC1 62a_200016261450_100000742324 [0,1,0,1,0,0|1,0,1]=4 2747 B13R1.3435 CCCCCCN1CCC1C(=O)O 269956a_100000021838_100000210757 [0,1,0,1,0,0|0,0,2]=4 2748 B13R1.9 CCCCCCc1ccc(cc1)O 271570a_203496583355_100009814338 [0,1,0,1,0,0|1,0,1]=4 2749 B13R1.91 CCC1CCCCN1CC(=O)OC 2230a_100000210034_100000747449 [0,1,0,1,0,0|1,0,1]=4 2750 B13R1.91 CCC1CCCCN1CC(=O)OC 269982a_100000210034_100000747449 [0,1,0,1,0,0|1,0,1]=4 2751 B13R1.91 CCC1CCCCN1CC(=O)OC 34a_100000210034_100000747449 [0,1,0,1,0,0|1,0,1]=4 2752 B13R1.189 CCCCCSc1ccc(o1)C=O 62a_100000210326_100000186757 [0,1,0,1,0,0|1,0,1]=4 2753 B13R1.189 CCCCNCc1ccc(o1)C=O 2230a_100000102301_200000079136 [0,1,0,1,0,0|1,0,1]=4 2754 B13R1.189 CCCCNCc1ccc(o1)C=O 7a_106832991798_200000079136 [0,1,0,1,0,0|1,0,1]=4 2755 B13R1.189 CCCCOCc1ccc(o1)C=O 34a_100000210227_200000079136 [0,1,0,1,0,0|1,0,1]=4 2756 B13R1.189 CCCCOCc1ccc(o1)C=O 7a_100000210227_200000079136 [0,1,0,1,0,0|1,0,1]=4 2757 B13R1.189 CCCCSCc1ccc(o1)C=O 62a_100000210211_200000079136 [0,1,0,1,0,0|1,0,1]=4 2758 B13R1.382 CCCC1CCCCN1C(=O)CO 240690a_100000701414_100000210174 [0,1,0,1,0,0|1,0,1]=4 2759 B13R1.382 CCCC1CCCCN1C(=O)CO 527a_100000701414_100000210174 [0,1,0,1,0,0|1,0,1]=4 2760 B13R1.528 COC(=O)CNC1CCCCC1C 2230a_100000211402_100000747449 [0,1,0,1,0,0|1,0,1]=4 2761 B13R1.528 COC(=O)CNC1CCCCC1C 34a_100000211402_100000747449 [0,1,0,1,0,0|1,0,1]=4 2762 B13R1.528 COC(=O)COC1CCCCC1C 34a_100000211207_100000747449 [0,1,0,1,0,0|1,0,1]=4 2763 B13R1.528 COC(=O)COC1CCCCC1C 7a_100000211207_100000747449 [0,1,0,1,0,0|1,0,1]=4 2764 B13R1.536 COC(=O)/C=C/CNC1CCCC1 2230a_100000211070_100000742655 [0,1,0,1,0,0|1,0,0]=3 2765 B13R1.536 COC(=O)/C=C/CNC1CCCC1 34a_100000211070_100000742655 [0,1,0,1,0,0|1,0,0]=3 2766 B13R1.536 COC(=O)/C=C/CN[C@@H]1CCOC1 2230a_200015188469_100000742655 [0,1,0,1,0,0|2,0,0]=4 2767 B13R1.536 COC(=O)/C=C/CN[C@H]1CCOC1 2230a_100015188467_100000742655 [0,1,0,1,0,0|2,0,0]=4 2768 B13R1.536 COC(=O)/C=C/CN[C@H]1CCOC1 34a_100015188467_100000742655 [0,1,0,1,0,0|2,0,0]=4 2769 B13R1.536 COC(=O)/C=C/COC1CCCC1 34a_100000210269_100000742655 [0,1,0,1,0,0|1,0,0]=3 2770 B13R1.536 COC(=O)/C=C/COC1CCCC1 7a_100000210269_100000742655 [0,1,0,1,0,0|1,0,0]=3 2771 B13R1.536 COC(=O)/C=C/COC1CCCO1 34a_100000085407_100000742655 [0,1,0,1,0,0|2,0,0]=4 2772 B13R1.536 COC(=O)/C=C/COC1CCSC1 7a_100011232664_100000742655 [0,1,0,1,0,0|2,0,0]=4 2773 B13R1.536 COC(=O)/C=C/CO[C@H]1CCOC1 34a_100000717292_100000742655 [0,1,0,1,0,0|2,0,0]=4 2774 B13R1.536 COC(=O)/C=C/CSC1CCCC1 62a_100000742655_100000179811 [0,1,0,1,0,0|1,0,0]=3 2775 B13R1.536 COC(=O)/C=C/CSC1CCCC1 62a_100011217020_100000742655 [0,1,0,1,0,0|1,0,0]=3 2776 B13R1.536 COC(=O)/C=C/CSC1CCOC1 62a_100000742655_100000690089 [0,1,0,1,0,0|2,0,0]=4 2777 B13R1.536 COC(=O)CNCCC1CCCC1 2230a_100000739158_100000747449 [0,1,0,1,0,0|1,0,1]=4 2778 B13R1.536 COC(=O)CNCCC1CCCC1 34a_100000739158_100000747449 [0,1,0,1,0,0|1,0,1]=4 2779 B13R1.536 COC(=O)COCCC1CCCC1 34a_100000749090_100000747449 [0,1,0,1,0,0|1,0,1]=4 2780 B13R1.536 COC(=O)COCCC1CCCC1 7a_100000749090_100000747449 [0,1,0,1,0,0|1,0,1]=4 2781 B13R1.536 COC(=O)CSCCC1CCCC1 62a_100000747449_100000760354 [0,1,0,1,0,0|1,0,1]=4 2782 B13R1.536 COC(=O)CSCCC1CCCC1 62a_100000760354_100000747449 [0,1,0,1,0,0|1,0,1]=4 2783 B13R1.536 O=C(CO)NCCCC1CCCC1 240690a_100000736752_100000210174 [0,1,0,1,0,0|1,0,1]=4 2784 B13R1.536 O=C(CO)NCCCC1CCCC1 527a_100000736752_100000210174 [0,1,0,1,0,0|1,0,1]=4 2785 B13R1.539 COC(=O)/C=C/CNCC1CCC1 2230a_100000738700_100000742655 [0,1,0,1,0,0|1,0,0]=3 2786 B13R1.539 COC(=O)/C=C/CNCC1CCC1 34a_100000738700_100000742655 [0,1,0,1,0,0|1,0,0]=3 2787 B13R1.539 COC(=O)/C=C/CNCC1COC1 2230a_100015281925_100000742655 [0,1,0,1,0,0|2,0,0]=4 2788 B13R1.539 COC(=O)/C=C/CNCC1COC1 34a_100015281925_100000742655 [0,1,0,1,0,0|2,0,0]=4 2789 B13R1.539 COC(=O)/C=C/CNC[C@@H]1CCO1 2230a_100020831831_100000742655 [0,1,0,1,0,0|2,0,0]=4 2790 B13R1.539 COC(=O)/C=C/CNC[C@@H]1CCO1 34a_100020831831_100000742655 [0,1,0,1,0,0|2,0,0]=4 2791 B13R1.539 COC(=O)/C=C/COCC1CCC1 34a_100000760304_100000742655 [0,1,0,1,0,0|1,0,0]=3 2792 B13R1.539 COC(=O)/C=C/COCC1CCO1 34a_100000039022_100000742655 [0,1,0,1,0,0|2,0,0]=4 2793 B13R1.539 COC(=O)/C=C/COCC1CNC1 34a_100016987283_100000742655 [0,1,0,1,0,0|2,0,0]=4 2794 B13R1.539 COC(=O)/C=C/COCC1COC1 34a_100000060846_100000742655 [0,1,0,1,0,0|2,0,0]=4 2795 B13R1.539 COC(=O)/C=C/CSCC1CCC1 62a_100000742655_100000763275 [0,1,0,1,0,0|1,0,0]=3 2796 B13R1.539 COC(=O)/C=C/CSCC1CCC1 62a_100000763275_100000742655 [0,1,0,1,0,0|1,0,0]=3 2797 B13R1.539 COC(=O)/C=C/CSCC1CCO1 62a_100000103362_100000742655 [0,1,0,1,0,0|2,0,0]=4 2798 B13R1.539 COC(=O)/C=C/CSCC1CCO1 62a_100000742655_100000103362 [0,1,0,1,0,0|2,0,0]=4 2799 B13R1.539 COC(=O)/C=C/CSCC1COC1 62a_100000742655_100010264016 [0,1,0,1,0,0|2,0,0]=4 2800 B13R1.539 COC(=O)/C=C/CSCC1COC1 62a_100010264016_100000742655 [0,1,0,1,0,0|2,0,0]=4 2801 B13R1.599 COC(=O)/C=C/CN1CCC[C@@H]1C 2230a_100020605311_100000742655 [0,1,0,1,0,0|1,0,0]=3 2802 B13R1.599 COC(=O)/C=C/CN1CCC[C@@H]1C 269982a_100020605311_100000742655 [0,1,0,1,0,0|1,0,0]=3 2803 B13R1.599 COC(=O)/C=C/CN1CCC[C@H]1C 2230a_100015189458_100000742655 [0,1,0,1,0,0|1,0,0]=3 2804 B13R1.599 COC(=O)/C=C/CN1CCC[C@H]1C 269982a_100015189458_100000742655 [0,1,0,1,0,0|1,0,0]=3 2805 B13R1.599 COC(=O)/C=C/CN1CCC[C@H]1C 34a_100015189458_100000742655 [0,1,0,1,0,0|1,0,0]=3 2806 B13R1.599 COC(=O)/C=C/CN1CCSC1C 2230a_200011216479_100000742655 [0,1,0,1,0,0|2,0,0]=4 2807 B13R1.599 COC(=O)/C=C/CN1CCSC1C 269982a_200011216479_100000742655 [0,1,0,1,0,0|2,0,0]=4 2808 B13R1.599 COC(=O)/C=C/CN1CCSC1C 34a_200011216479_100000742655 [0,1,0,1,0,0|2,0,0]=4 2809 B13R1.718 CCC(=O)C=CCN1CCCCC1 1458a_100015232380_100000210202 [0,1,0,1,0,0|2,0,0]=4 2810 B13R1.718 CNC(=O)C=CCN1CCCCC1 11a_106832991635_100015232380 [0,1,0,1,0,0|2,0,0]=4 2811 B13R1.718 CNC(=O)C=CCN1CCCCC1 240690a_100102657272_100015232380 [0,1,0,1,0,0|2,0,0]=4 2812 B13R1.718 COC(=O)/C=C/CN1CCCOC1 2230a_100000131196_100000742655 [0,1,0,1,0,0|2,0,0]=4 2813 B13R1.718 COC(=O)/C=C/CN1CCCOC1 269982a_100000131196_100000742655 [0,1,0,1,0,0|2,0,0]=4 2814 B13R1.718 COC(=O)/C=C/CN1CCCOC1 34a_100000131196_100000742655 [0,1,0,1,0,0|2,0,0]=4 2815 B13R1.718 COC(=O)/C=C/CN1CCOCC1 2230a_100015191051_100000742655 [0,1,0,1,0,0|2,0,0]=4 2816 B13R1.718 COC(=O)/C=C/CN1CCOCC1 269982a_100015191051_100000742655 [0,1,0,1,0,0|2,0,0]=4 2817 B13R1.718 COC(=O)/C=C/CN1CCOCC1 34a_100015191051_100000742655 [0,1,0,1,0,0|2,0,0]=4 2818 B13R1.718 COC(=O)/C=C/CN1CCSCC1 2230a_100000737611_100000742655 [0,1,0,1,0,0|2,0,0]=4 2819 B13R1.718 COC(=O)/C=C/CN1CCSCC1 269982a_100000737611_100000742655 [0,1,0,1,0,0|2,0,0]=4 2820 B13R1.718 COC(=O)C=NNC1CCCCC1 4a_100000709804_200011823558 [0,1,0,1,0,0|2,0,0]=4 2821 B13R1.718 COC(=O)CNCC1CCCCC1 2230a_100000210473_100000747449 [0,1,0,1,0,0|1,0,1]=4 2822 B13R1.718 COC(=O)CNCC1CCCCC1 34a_100000210473_100000747449 [0,1,0,1,0,0|1,0,1]=4 2823 B13R1.718 COC(=O)COCC1CCCCC1 34a_100000212181_100000747449 [0,1,0,1,0,0|1,0,1]=4 2824 B13R1.718 COC(=O)COCC1CCCCC1 7a_100000212181_100000747449 [0,1,0,1,0,0|1,0,1]=4 2825 B13R1.718 COC(=O)CSCC1CCCCC1 62a_100000211423_100000747449 [0,1,0,1,0,0|1,0,1]=4 2826 B13R1.718 COC(=O)CSCC1CCCCC1 62a_100000747449_100000211423 [0,1,0,1,0,0|1,0,1]=4 2827 B13R1.718 O=C(C=CCN1CCCCC1)CF 1458a_100015232380_100015361967 [0,1,0,1,0,0|2,0,0]=4 2828 B13R1.718 O=C(CO)CCCC1CCCCC1 1458a_100000210174_100011713725 [0,1,0,1,0,0|0,0,2]=4 2829 B13R1.718 O=C(CO)NCCC1CCCCC1 240690a_100000738074_100000210174 [0,1,0,1,0,0|1,0,1]=4 2830 B13R1.718 O=C(CO)NCCC1CCCCC1 527a_100000738074_100000210174 [0,1,0,1,0,0|1,0,1]=4 2831 B13R1.718 O=C(CO)NNCC1CCCCC1 22a_100000740227_100000210174 [0,1,0,1,0,0|2,0,0]=4 2832 B13R1.1689 O=C(CO)N1CCCCCCCC1 240690a_100000039187_100000210174 [0,1,0,1,0,0|1,0,1]=4 2833 B13R1.1689 O=C(CO)N1CCCCCCCC1 527a_100000039187_100000210174 [0,1,0,1,0,0|1,0,1]=4 2834 B13R1.1711 COC(=O)CNC1CCCCCC1 2230a_100000210984_100000747449 [0,1,0,1,0,0|1,0,1]=4 2835 B13R1.1711 COC(=O)CNC1CCCCCC1 34a_100000210984_100000747449 [0,1,0,1,0,0|1,0,1]=4 2836 B13R1.1711 COC(=O)COC1CCCCCC1 34a_100000210887_100000747449 [0,1,0,1,0,0|1,0,1]=4 2837 B13R1.1711 COC(=O)COC1CCCCCC1 7a_100000210887_100000747449 [0,1,0,1,0,0|1,0,1]=4 2838 B13R1.1711 COC(=O)CSC1CCCCCC1 62a_100000747449_100011217769 [0,1,0,1,0,0|1,0,1]=4 2839 B13R1.1711 COC(=O)CSC1CCCCCC1 62a_100011217769_100000747449 [0,1,0,1,0,0|1,0,1]=4 2840 B13R1.1711 O=C(CO)NCC1CCCCCC1 240690a_100015204231_100000210174 [0,1,0,1,0,0|1,0,1]=4 2841 B13R1.1711 O=C(CO)NCC1CCCCCC1 527a_100015204231_100000210174 [0,1,0,1,0,0|1,0,1]=4 2842 B13R1.1870 COC(=O)CN1CCCCCCC1 2230a_100000211400_100000747449 [0,1,0,1,0,0|1,0,1]=4 2843 B13R1.1870 COC(=O)CN1CCCCCCC1 269982a_100000211400_100000747449 [0,1,0,1,0,0|1,0,1]=4 2844 B13R1.1870 COC(=O)CN1CCCCCCC1 34a_100000211400_100000747449 [0,1,0,1,0,0|1,0,1]=4 2845 B13R1.1870 O=C(CO)NC1CCCCCCC1 240690a_100000211152_100000210174 [0,1,0,1,0,0|1,0,1]=4 2846 B13R1.1870 O=C(CO)NC1CCCCCCC1 527a_100000211152_100000210174 [0,1,0,1,0,0|1,0,1]=4 2847 B13R1.89 CCC1CCCCN1C(=O)C(=O)N 240690a_100000210034_100011215815 [0,1,0,1,0,0|2,0,0]=4 2848 B13R1.191 CC1=CC(OC1=O)NCCCCO 2230a_100000750430_200009893386 [0,1,0,1,0,0|2,0,0]=4 2849 B13R1.191 CC1=CC(OC1=O)SCCCCF 62a_100000729493_200009893386 [0,1,0,1,0,0|2,0,0]=4 2850 B13R1.191 CC1=CC(OC1=O)SCCCCF 62a_200009893386_100000729493 [0,1,0,1,0,0|2,0,0]=4 2851 B13R1.191 CC1=CC(OC1=O)SCCCCO 62a_100000210776_200009893386 [0,1,0,1,0,0|2,0,0]=4 2852 B13R1.191 CC1=CC(OC1=O)SCCCCO 62a_200009893386_100000210776 [0,1,0,1,0,0|2,0,0]=4 2853 B13R1.191 CCCCCNC1C=C(C(=O)O1)C 2230a_100000209983_200009893386 [0,1,0,1,0,0|1,0,0]=3 2854 B13R1.191 CCCCCSC1C=C(C(=O)O1)C 62a_100000210326_200009893386 [0,1,0,1,0,0|1,0,0]=3 2855 B13R1.191 CCCCCSC1C=C(C(=O)O1)C 62a_200009893386_100000210326 [0,1,0,1,0,0|1,0,0]=3 2856 B13R1.191 CCOCCNC1C=C(C(=O)O1)C 2230a_102516460346_200009893386 [0,1,0,1,0,0|2,0,0]=4 2857 B13R1.191 CCOCCSC1C=C(C(=O)O1)C 62a_100000210147_200009893386 [0,1,0,1,0,0|2,0,0]=4 2858 B13R1.191 CCOCCSC1C=C(C(=O)O1)C 62a_200009893386_100011215890 [0,1,0,1,0,0|2,0,0]=4 2859 B13R1.191 CCSCCNC1C=C(C(=O)O1)C 2230a_100000106463_200009893386 [0,1,0,1,0,0|2,0,0]=4 2860 B13R1.191 CCSCCSC1C=C(C(=O)O1)C 62a_100000757381_200009893386 [0,1,0,1,0,0|2,0,0]=4 2861 B13R1.191 CCSCCSC1C=C(C(=O)O1)C 62a_200009893386_100000757381 [0,1,0,1,0,0|2,0,0]=4 2862 B13R1.191 COCCCSC1C=C(C(=O)O1)C 62a_100000709357_200009893386 [0,1,0,1,0,0|2,0,0]=4 2863 B13R1.191 COCCCSC1C=C(C(=O)O1)C 62a_200009893386_100000709357 [0,1,0,1,0,0|2,0,0]=4 2864 B13R1.191 CSCCCNC1C=C(C(=O)O1)C 2230a_100000749238_200009893386 [0,1,0,1,0,0|2,0,0]=4 2865 B13R1.202 CC1CCCCC1NC(=O)C(=O)N 240690a_100000211402_100011215815 [0,1,0,1,0,0|2,0,0]=4 2866 B13R1.351 C[C@H](NCC1CCCCC1)C(=O)O 269956a_100000743915_100000211423 [0,1,0,1,0,0|1,0,1]=4 2867 B13R1.351 NC(=O)C(=O)NCC1CCCCC1 240690a_100000210473_100011215815 [0,1,0,1,0,0|2,0,0]=4 2868 B13R1.1110 C[C@H](NCCC1CCCC1)C(=O)O 269956a_100000743915_100000760354 [0,1,0,1,0,0|1,0,1]=4 2869 B13R1.1110 NC(=O)C(=O)NCCC1CCCC1 240690a_100000739158_100011215815 [0,1,0,1,0,0|2,0,0]=4 2870 B13R1.6161 NC(=O)C(=O)N1CCCCCCC1 240690a_100000211400_100011215815 [0,1,0,1,0,0|2,0,0]=4 2871 B13R1.6192 CC(=O)C(=O)NC1CCCCCC1 1458a_100011297277_200000210301 [0,1,0,1,0,0|2,0,0]=4 2872 B13R1.6192 C[C@H](NC1CCCCCC1)C(=O)O 269956a_100000743915_100011217769 [0,1,0,1,0,0|1,0,1]=4 2873 B13R1.6192 NC(=O)C(=O)NC1CCCCCC1 240690a_100000210984_100011215815 [0,1,0,1,0,0|2,0,0]=4 2874 B13R1.6192 [13CH3]C(=O)C(=O)NC1CCCCCC1 1458a_100011297277_200025704644 [0,1,0,1,0,0|2,0,0]=4 2875 B13R2.1264 O=C(O)CNC1C2CCC1CC2 269956a_100016091260_100009813300 [0,0,0,2,0,0|1,0,1]=4 2876 B13R2.5551 O=C(O)CNC1CC2CCC1C2 269956a_100016091260_100000727232 [0,0,0,2,0,0|1,0,1]=4