0 B9R0.2 C#CCNCCOC(=O)C 34a_100000212058_100009814007 [0,0,0,0,0,0|1,0,3]=4 1 B9R0.2 C#CCOCCOC(=O)C 34a_100000210247_100009814007 [0,0,0,0,0,0|1,0,3]=4 2 B9R0.2 C#CCSCCOC(=O)C 62a_100000038162_100009814007 [0,0,0,0,0,0|1,0,3]=4 3 B9R0.2 C/C=C/C=C/COC(C)C 34a_100016283227_100000210206 [0,0,0,0,0,0|1,0,3]=4 4 B9R0.2 C/C=C/COCCC(=O)C 34a_100000759926_100102629194 [0,0,0,0,0,0|2,0,2]=4 5 B9R0.2 C/C=C/COCCC(=O)C 7a_100000759926_100102629194 [0,0,0,0,0,0|2,0,2]=4 6 B9R0.2 C/C=C/COCOC(=O)C 34a_100016270725_100009813279 [0,0,0,0,0,0|1,0,2]=3 7 B9R0.2 C/C=C/CSCCC(=O)C 62a_100000053229_100102629194 [0,0,0,0,0,0|2,0,2]=4 8 B9R0.2 C/C=C/CSCCC(=O)C 62a_100102629194_100000053229 [0,0,0,0,0,0|2,0,2]=4 9 B9R0.2 C/C=C/CSCOC(=O)C 62a_100000076356_100102629194 [0,0,0,0,0,0|1,0,2]=3 10 B9R0.2 C/C=C/CSCOC(=O)C 62a_100102629194_100000076356 [0,0,0,0,0,0|1,0,2]=3 11 B9R0.2 C=C(C)COC/C=C\CC 34a_100000210245_100103147603 [0,0,0,0,0,0|3,0,0]=3 12 B9R0.2 C=C(C)COC/C=C\CC 34a_100016268518_100000748629 [0,0,0,0,0,0|3,0,0]=3 13 B9R0.2 C=C(C)CSC/C=C\CC 62a_100000748629_100103147603 [0,0,0,0,0,0|3,0,0]=3 14 B9R0.2 C=C(C)CSC/C=C\CC 62a_100103147603_100000211660 [0,0,0,0,0,0|3,0,0]=3 15 B9R0.2 C=C(F)COC/C=C\CC 34a_100016268518_100009893438 [0,0,0,0,0,0|3,0,1]=4 16 B9R0.2 C=C(F)COC/C=C\CC 34a_200010262243_100103147603 [0,0,0,0,0,0|3,0,1]=4 17 B9R0.2 C=C(F)CSC/C=C\CC 62a_100000042424_100103147603 [0,0,0,0,0,0|3,0,1]=4 18 B9R0.2 C=C(F)CSC/C=C\CC 62a_100103147603_100000042424 [0,0,0,0,0,0|3,0,1]=4 19 B9R0.2 C=CCOCCOC(=O)C 34a_200000210373_100009814007 [0,0,0,0,0,0|1,0,3]=4 20 B9R0.2 C=CCSCCOC(=O)C 62a_100000210623_100009814007 [0,0,0,0,0,0|1,0,3]=4 21 B9R0.2 C=CCSCCOC(=O)C 62a_100009814007_100000210623 [0,0,0,0,0,0|1,0,3]=4 22 B9R0.2 CC#CCNCOC(=O)C 34a_100000685387_100009813279 [0,0,0,0,0,0|1,0,3]=4 23 B9R0.2 CC#CCOCOC(=O)C 34a_100000761923_100009813279 [0,0,0,0,0,0|1,0,3]=4 24 B9R0.2 CC#CCSCOC(=O)C 62a_100000076356_100000748600 [0,0,0,0,0,0|1,0,3]=4 25 B9R0.2 CC#CCSCOC(=O)C 62a_100000748600_100000076356 [0,0,0,0,0,0|1,0,3]=4 26 B9R0.2 CC(=O)CCCCCCF 1458a_100000070787_100015922095 [0,0,0,0,0,0|2,0,2]=4 27 B9R0.2 CC(=O)CCCCCCO 1458a_100000070787_100000766143 [0,0,0,0,0,0|2,0,2]=4 28 B9R0.2 CC(=O)CCCCCCO 1458a_100011996774_200000210301 [0,0,0,0,0,0|2,0,2]=4 29 B9R0.2 CC(=O)CCCCSCF 62a_100000735457_100015361967 [0,0,0,0,0,0|3,0,1]=4 30 B9R0.2 CC(=O)CCCCSCF 62a_100015361967_100000735457 [0,0,0,0,0,0|3,0,1]=4 31 B9R0.2 CC(=O)CCCNCCF 34a_100000724931_100000685027 [0,0,0,0,0,0|3,0,1]=4 32 B9R0.2 CC(=O)CCCNCCO 34a_100016990907_100000685027 [0,0,0,0,0,0|3,0,1]=4 33 B9R0.2 CC(=O)CCCOCCBr 34a_100000211926_100000685027 [0,0,0,0,0,0|3,0,1]=4 34 B9R0.2 CC(=O)CCCOCCF 34a_100000759063_100011217306 [0,0,0,0,0,0|3,0,1]=4 35 B9R0.2 CC(=O)CCCOCCF 7a_100000759063_100011217306 [0,0,0,0,0,0|3,0,1]=4 36 B9R0.2 CC(=O)CCCOCCN 34a_100000210304_100000685027 [0,0,0,0,0,0|3,0,1]=4 37 B9R0.2 CC(=O)CCCOCCO 34a_100000759063_100000211926 [0,0,0,0,0,0|3,0,1]=4 38 B9R0.2 CC(=O)CCCOCCO 7a_100000759063_100000211926 [0,0,0,0,0,0|3,0,1]=4 39 B9R0.2 CC(=O)CCCSCCF 62a_100011215641_100011217306 [0,0,0,0,0,0|3,0,1]=4 40 B9R0.2 CC(=O)CCCSCCF 62a_100011217306_100011215641 [0,0,0,0,0,0|3,0,1]=4 41 B9R0.2 CC(=O)CCCSCCO 62a_100000211926_100011215641 [0,0,0,0,0,0|3,0,1]=4 42 B9R0.2 CC(=O)CCCSCCO 62a_100011215641_100000211926 [0,0,0,0,0,0|3,0,1]=4 43 B9R0.2 CC(=O)NCCCCCO 240690a_100000762737_100015343762 [0,0,0,0,0,0|2,0,2]=4 44 B9R0.2 CC(=O)NCCCCN[13CH3] 2230a_200011368371_200025704644 [0,0,0,0,0,0|2,0,2]=4 45 B9R0.2 CC(=O)NCCCCN[13CH3] 34a_200011368371_200025704644 [0,0,0,0,0,0|2,0,2]=4 46 B9R0.2 CC(=O)NCCCNCF 34a_100000736810_100015361967 [0,0,0,0,0,0|3,0,1]=4 47 B9R0.2 CC(=O)NCCCOCF 34a_100000752032_100015361967 [0,0,0,0,0,0|3,0,1]=4 48 B9R0.2 CC(=O)NCCNCCF 2230a_100000209853_100011217306 [0,0,0,0,0,0|3,0,1]=4 49 B9R0.2 CC(=O)NCCNCCO 2230a_100000209853_100000211926 [0,0,0,0,0,0|3,0,1]=4 50 B9R0.2 CC(=O)NCCNCCO 2230a_100016997473_100000189650 [0,0,0,0,0,0|3,0,1]=4 51 B9R0.2 CC(=O)NCCOCCF 34a_100000158858_100011217306 [0,0,0,0,0,0|3,0,1]=4 52 B9R0.2 CC(=O)NCCOCCO 240690a_100000211614_100015343762 [0,0,0,0,0,0|3,0,1]=4 53 B9R0.2 CC(=O)NCCOCCO 34a_100000158858_100000211926 [0,0,0,0,0,0|3,0,1]=4 54 B9R0.2 CC(=O)NCCSCCF 62a_100000189650_100011217306 [0,0,0,0,0,0|3,0,1]=4 55 B9R0.2 CC(=O)NCCSCCF 62a_100011217306_100000189650 [0,0,0,0,0,0|3,0,1]=4 56 B9R0.2 CC(=O)NCCSCCO 240690a_100011219999_100015343762 [0,0,0,0,0,0|3,0,1]=4 57 B9R0.2 CC(=O)NCCSCCO 527a_100011219999_100103153847 [0,0,0,0,0,0|3,0,1]=4 58 B9R0.2 CC(=O)NCCSCCO 62a_100000189650_100000211926 [0,0,0,0,0,0|3,0,1]=4 59 B9R0.2 CC(=O)NCCSCCO 62a_100000211926_100000189650 [0,0,0,0,0,0|3,0,1]=4 60 B9R0.2 CC(=O)OCCCCO[13CH3] 34a_100000073216_200025704644 [0,0,0,0,0,0|1,0,2]=3 61 B9R0.2 CC(=O)OCCCCO[13CH3] 7a_100000073216_200025704644 [0,0,0,0,0,0|1,0,2]=3 62 B9R0.2 CC(=O)OCCCCS[13CH3] 62a_100000033659_200025704644 [0,0,0,0,0,0|1,0,2]=3 63 B9R0.2 CC(=O)OCCCCS[13CH3] 62a_200025704644_100000033659 [0,0,0,0,0,0|1,0,2]=3 64 B9R0.2 CC(=O)OCCCSCF 62a_100000042594_100015361967 [0,0,0,0,0,0|2,0,1]=3 65 B9R0.2 CC(=O)OCCCSCF 62a_100015361967_100000042594 [0,0,0,0,0,0|2,0,1]=3 66 B9R0.2 CC(=O)OCCNCCF 34a_100000724931_100009814007 [0,0,0,0,0,0|2,0,1]=3 67 B9R0.2 CC(=O)OCCNCCO 34a_100016990907_100009814007 [0,0,0,0,0,0|2,0,1]=3 68 B9R0.2 CC(=O)OCCOCCBr 34a_100000211926_100009814007 [0,0,0,0,0,0|2,0,1]=3 69 B9R0.2 CC(=O)OCCOCCN 34a_100000210304_100009814007 [0,0,0,0,0,0|2,0,1]=3 70 B9R0.2 CC(=O)OCCOCS[13CH3] 62a_100000076355_200025704644 [0,0,0,0,0,0|2,0,1]=3 71 B9R0.2 CC(=O)OCCOCS[13CH3] 62a_200025704644_100000076355 [0,0,0,0,0,0|2,0,1]=3 72 B9R0.2 CC(=O)OCCSCC#N 62a_100009814007_100011215382 [0,0,0,0,0,0|2,0,2]=4 73 B9R0.2 CC(=O)OCCSCC#N 62a_100011215382_100009814007 [0,0,0,0,0,0|2,0,2]=4 74 B9R0.2 CC(=O)OCCSCC=O 62a_100009814007_200015260668 [0,0,0,0,0,0|2,0,2]=4 75 B9R0.2 CC(=O)OCCSCC=O 62a_200015260668_100009814007 [0,0,0,0,0,0|2,0,2]=4 76 B9R0.2 CC(=O)OCCSCCF 62a_100009814007_100011217306 [0,0,0,0,0,0|2,0,1]=3 77 B9R0.2 CC(=O)OCCSCCF 62a_100011217306_100009814007 [0,0,0,0,0,0|2,0,1]=3 78 B9R0.2 CC(=O)OCCSCCO 62a_100000211926_100009814007 [0,0,0,0,0,0|2,0,1]=3 79 B9R0.2 CC(=O)OCCSCCO 62a_100009814007_100000211926 [0,0,0,0,0,0|2,0,1]=3 80 B9R0.2 CC(=O)OCNCCCF 34a_100015189416_100009813279 [0,0,0,0,0,0|2,0,2]=4 81 B9R0.2 CC(=O)OCOCCCBr 34a_100011217188_100009813279 [0,0,0,0,0,0|2,0,2]=4 82 B9R0.2 CC(=O)OCOCCCCl 34a_100000230001_100009813279 [0,0,0,0,0,0|2,0,2]=4 83 B9R0.2 CC(=O)OCOCCCF 34a_100000759539_100009813279 [0,0,0,0,0,0|2,0,2]=4 84 B9R0.2 CC(=O)OCOCCCN 34a_100000182051_100009813279 [0,0,0,0,0,0|2,0,2]=4 85 B9R0.2 CC(=O)OCSCCCF 62a_100000076356_100011934791 [0,0,0,0,0,0|2,0,2]=4 86 B9R0.2 CC(=O)OCSCCCF 62a_100011934791_100000076356 [0,0,0,0,0,0|2,0,2]=4 87 B9R0.2 CC(=O)OCSCCCO 62a_100000076356_100011215043 [0,0,0,0,0,0|2,0,2]=4 88 B9R0.2 CC(=O)OCSCCCO 62a_100011215043_100000076356 [0,0,0,0,0,0|2,0,2]=4 89 B9R0.2 CC(=O)SCCCCS[13CH3] 62a_200010402107_200025704644 [0,0,0,0,0,0|1,1,2]=4 90 B9R0.2 CC(=O)SCCCCS[13CH3] 62a_200025704644_200010402107 [0,0,0,0,0,0|1,1,2]=4 91 B9R0.2 CC(=O)SCCCSCF 62a_100000038929_100015361967 [0,0,0,0,0,0|2,1,1]=4 92 B9R0.2 CC(=O)SCCCSCF 62a_100015361967_100000038929 [0,0,0,0,0,0|2,1,1]=4 93 B9R0.2 CC(=S)OCCCSCF 62a_100015361967_200135323944 [0,0,0,0,0,0|2,1,1]=4 94 B9R0.2 CC(=S)OCCCSCF 62a_200135323944_100015361967 [0,0,0,0,0,0|2,1,1]=4 95 B9R0.2 CC/C=C\CCNC(C)C 2230a_100138425928_100015370543 [0,0,0,0,0,0|2,0,1]=3 96 B9R0.2 CC/C=C\CCNC(C)C 34a_100138425928_100015370543 [0,0,0,0,0,0|2,0,1]=3 97 B9R0.2 CC/C=C\CCOC(C)C 34a_100000212225_100015370543 [0,0,0,0,0,0|1,0,1]=2 98 B9R0.2 CC/C=C\CCOC(C)C 34a_100016288707_100000210206 [0,0,0,0,0,0|1,0,1]=2 99 B9R0.2 CC/C=C\CCOC(C)C 7a_100016288707_100000210206 [0,0,0,0,0,0|1,0,1]=2 100 B9R0.2 CC/C=C\CCSC(C)C 62a_100000210206_100015370543 [0,0,0,0,0,0|1,1,1]=3 101 B9R0.2 CC/C=C\CCSC(C)C 62a_100015370543_100000210206 [0,0,0,0,0,0|1,1,1]=3 102 B9R0.2 CC/C=C\CNCC(=O)N 2230a_100000711301_100103147603 [0,0,0,0,0,0|3,0,0]=3 103 B9R0.2 CC/C=C\CNCC(=O)O 269956a_100016091260_100103147603 [0,0,0,0,0,0|3,0,0]=3 104 B9R0.2 CC/C=C\CNCC(C)C 2230a_100000210953_100103147603 [0,0,0,0,0,0|3,0,1]=4 105 B9R0.2 CC/C=C\CNCC(C)C 34a_100000210953_100103147603 [0,0,0,0,0,0|3,0,1]=4 106 B9R0.2 CC/C=C\CNCC(C)O 2230a_100000210904_100103147603 [0,0,0,0,0,0|2,0,2]=4 107 B9R0.2 CC/C=C\CNCC(C)O 34a_100000210904_100103147603 [0,0,0,0,0,0|2,0,2]=4 108 B9R0.2 CC/C=C\COCC(=O)C 34a_100000211253_100103147603 [0,0,0,0,0,0|2,0,0]=2 109 B9R0.2 CC/C=C\COCC(=O)N 34a_100016268518_100000187820 [0,0,0,0,0,0|3,0,0]=3 110 B9R0.2 CC/C=C\COCC(=O)[O-] 34a_100016268518_100020667443 [0,0,0,0,0,0|3,0,0]=3 111 B9R0.2 CC/C=C\COCC(C)Br 34a_100012180447_100103147603 [0,0,0,0,0,0|3,0,1]=4 112 B9R0.2 CC/C=C\COCC(C)C 34a_100000210257_100103147603 [0,0,0,0,0,0|3,0,1]=4 113 B9R0.2 CC/C=C\COCC(C)C 34a_100016268518_100000210624 [0,0,0,0,0,0|3,0,1]=4 114 B9R0.2 CC/C=C\COCC(C)F 34a_100015925927_100103147603 [0,0,0,0,0,0|3,0,1]=4 115 B9R0.2 CC/C=C\COCC(C)O 34a_100016268518_100011218427 [0,0,0,0,0,0|2,0,2]=4 116 B9R0.2 CC/C=C\COC[C@@H](C)Cl 34a_100016084084_100103147603 [0,0,0,0,0,0|3,0,1]=4 117 B9R0.2 CC/C=C\COC[C@@H](C)N 34a_100000737577_100103147603 [0,0,0,0,0,0|3,0,1]=4 118 B9R0.2 CC/C=C\COC[C@@H](C)O 34a_100016268518_100009817552 [0,0,0,0,0,0|2,0,2]=4 119 B9R0.2 CC/C=C\COC[N+](=O)[O-] 34a_100016268518_100000761209 [0,0,0,0,0,0|4,0,0]=4 120 B9R0.2 CC/C=C\CSCC(=O)N 62a_100000747473_100103147603 [0,0,0,0,0,0|3,0,0]=3 121 B9R0.2 CC/C=C\CSCC(=O)N 62a_100103147603_100000747473 [0,0,0,0,0,0|3,0,0]=3 122 B9R0.2 CC/C=C\CSCC(=O)[O-] 62a_100020667443_100103147603 [0,0,0,0,0,0|3,0,0]=3 123 B9R0.2 CC/C=C\CSCC(=O)[O-] 62a_100103147603_100020667443 [0,0,0,0,0,0|3,0,0]=3 124 B9R0.2 CC/C=C\CSCC(C)C 62a_100000210624_100103147603 [0,0,0,0,0,0|3,0,1]=4 125 B9R0.2 CC/C=C\CSCC(C)C 62a_100103147603_100000210760 [0,0,0,0,0,0|3,0,1]=4 126 B9R0.2 CC/C=C\CSCC(C)O 62a_100011218427_100103147603 [0,0,0,0,0,0|2,0,2]=4 127 B9R0.2 CC/C=C\CSCC(C)O 62a_100103147603_100011218427 [0,0,0,0,0,0|2,0,2]=4 128 B9R0.2 CC/C=C\CSC[C@@H](C)O 62a_100009817552_100103147603 [0,0,0,0,0,0|2,0,2]=4 129 B9R0.2 CC/C=C\CSC[C@@H](C)O 62a_100103147603_100009817552 [0,0,0,0,0,0|2,0,2]=4 130 B9R0.2 CC/C=C\CSC[N+](=O)[O-] 62a_100103147603_100000761209 [0,0,0,0,0,0|4,0,0]=4 131 B9R0.2 CC=C=CCCOC(C)C 34a_100011020354_100000210206 [0,0,0,0,0,0|1,0,3]=4 132 B9R0.2 CC=CCCCOC(C)C 34a_100020645299_100000210206 [0,0,0,0,0,0|1,0,3]=4 133 B9R0.2 CC=CCOCCC(=O)C 34a_100000759926_100000070051 [0,0,0,0,0,0|2,0,2]=4 134 B9R0.2 CC=CCOCCC(=O)C 7a_100000759926_100000070051 [0,0,0,0,0,0|2,0,2]=4 135 B9R0.2 CC=CCSCCC(=O)C 62a_100000053229_100000070051 [0,0,0,0,0,0|2,0,2]=4 136 B9R0.2 CC=CCSCCC(=O)C 62a_100000070051_100000053229 [0,0,0,0,0,0|2,0,2]=4 137 B9R0.2 CC=CCSCOC(=O)C 62a_100000070051_100000076356 [0,0,0,0,0,0|1,0,2]=3 138 B9R0.2 CC=CCSCOC(=O)C 62a_100000076356_100000070051 [0,0,0,0,0,0|1,0,2]=3 139 B9R0.2 CCC#CCCOC(C)C 34a_100000036655_100000210206 [0,0,0,0,0,0|1,0,3]=4 140 B9R0.2 CCC#CCCOC(C)C 7a_100000036655_100000210206 [0,0,0,0,0,0|1,0,3]=4 141 B9R0.2 CCC#CCOCC(=O)C 34a_100000211253_100009813939 [0,0,0,0,0,0|2,0,2]=4 142 B9R0.2 CCC/C=C/C=CC(=O)C 1458a_200016258893_200000210301 [0,0,0,0,0,0|1,0,3]=4 143 B9R0.2 CCC/C=C/C=CC(=O)[13CH3] 1458a_200016258893_200025704644 [0,0,0,0,0,0|1,0,3]=4 144 B9R0.2 CCC/C=C/COC(C)C 34a_100016278788_100000210206 [0,0,0,0,0,0|1,0,3]=4 145 B9R0.2 CCC/C=C/COC(C)C 7a_100016278788_100000210206 [0,0,0,0,0,0|1,0,3]=4 146 B9R0.2 CCC=CC=NNC(=O)C 4a_100000189765_100011216943 [0,0,0,0,0,0|2,0,1]=3 147 B9R0.2 CCCCCC#CC(=O)C 1458a_100011215388_200000210301 [0,0,0,0,0,0|1,0,3]=4 148 B9R0.2 CCCCCC#CC(=O)[13CH3] 1458a_100011215388_200025704644 [0,0,0,0,0,0|1,0,3]=4 149 B9R0.2 CCCCCC=CC(=O)C 1458a_100016263427_200000210301 [0,0,0,0,0,0|1,0,3]=4 150 B9R0.2 CCCCCC=CC(=O)[13CH3] 1458a_100016263427_200025704644 [0,0,0,0,0,0|1,0,3]=4 151 B9R0.2 CCCCCCCC(=O)C 1458a_100000070787_100000210614 [0,0,0,0,0,0|1,0,2]=3 152 B9R0.2 CCCCCCCC(=O)C 1458a_100000211969_200000210301 [0,0,0,0,0,0|1,0,2]=3 153 B9R0.2 CCCCCCCC(=O)[13CH3] 1458a_100000211969_200025704644 [0,0,0,0,0,0|1,0,2]=3 154 B9R0.2 CCCCCCNC(=O)C 11a_100000210581_100015343762 [0,0,0,0,0,0|1,0,2]=3 155 B9R0.2 CCCCCCNC(=O)C 1626a_100000210581_100015343762 [0,0,0,0,0,0|1,0,2]=3 156 B9R0.2 CCCCCCNC(=O)C 240690a_100000210581_100015343762 [0,0,0,0,0,0|1,0,2]=3 157 B9R0.2 CCCCCCNC(=O)C 527a_100000210581_100103153847 [0,0,0,0,0,0|1,0,2]=3 158 B9R0.2 CCCCCCOC(C)C 34a_100000210259_100000210206 [0,0,0,0,0,0|1,0,3]=4 159 B9R0.2 CCCCCCOC(C)C 34a_100000212225_100000210314 [0,0,0,0,0,0|1,0,3]=4 160 B9R0.2 CCCCCCOC(C)C 7a_100000210259_100000210206 [0,0,0,0,0,0|1,0,3]=4 161 B9R0.2 CCCCCNNC(=O)C 22a_100000694160_100000070787 [0,0,0,0,0,0|2,0,2]=4 162 B9R0.2 CCCCCOCC(=O)C 34a_100000211253_100000718602 [0,0,0,0,0,0|2,0,2]=4 163 B9R0.2 CCCCNCCC(=O)C 7a_106832991798_100000053229 [0,0,0,0,0,0|2,0,2]=4 164 B9R0.2 CCCCOCCC(=O)C 1458a_100000070787_100000743108 [0,0,0,0,0,0|2,0,2]=4 165 B9R0.2 CCCCOCCC(=O)C 34a_100000759926_100000210210 [0,0,0,0,0,0|2,0,2]=4 166 B9R0.2 CCCCOCCC(=O)C 7a_100000210227_100000053229 [0,0,0,0,0,0|2,0,2]=4 167 B9R0.2 CCCCOCCC(=O)C 7a_100000759926_100000210211 [0,0,0,0,0,0|2,0,2]=4 168 B9R0.2 CCCCOCOC(=O)C 34a_100000210227_100009813279 [0,0,0,0,0,0|1,0,2]=3 169 B9R0.2 CCCCSCCC(=O)C 62a_100000053229_100000210210 [0,0,0,0,0,0|2,0,2]=4 170 B9R0.2 CCCCSCCC(=O)C 62a_100000210211_100000053229 [0,0,0,0,0,0|2,0,2]=4 171 B9R0.2 CCCCSCOC(=O)C 62a_100000076356_100000210210 [0,0,0,0,0,0|1,0,2]=3 172 B9R0.2 CCCCSCOC(=O)C 62a_100000210211_100000076356 [0,0,0,0,0,0|1,0,2]=3 173 B9R0.2 CCCNCCCC(=O)N 34a_100000739312_100000210303 [0,0,0,0,0,0|3,0,1]=4 174 B9R0.2 CCCNCCCS(=O)C 2230a_200000753449_100000210303 [0,0,0,0,0,0|3,0,1]=4 175 B9R0.2 CCCNCCNC(=O)C 2230a_100000209853_100000210303 [0,0,0,0,0,0|2,0,1]=3 176 B9R0.2 CCCNCCNC(=O)N 34a_100020590234_100000210303 [0,0,0,0,0,0|3,0,1]=4 177 B9R0.2 CCCNCCOC(C)C 2230a_100000701111_100000210303 [0,0,0,0,0,0|2,0,2]=4 178 B9R0.2 CCCNCCOC(C)C 34a_100000701111_100000210303 [0,0,0,0,0,0|2,0,2]=4 179 B9R0.2 CCCOCCC=C(C)C 34a_100000210258_100011217483 [0,0,0,0,0,0|3,0,1]=4 180 B9R0.2 CCCOCCCC(=O)C 34a_100000210258_100000685027 [0,0,0,0,0,0|2,0,1]=3 181 B9R0.2 CCCOCCCC(=O)C 34a_100000759063_100000210303 [0,0,0,0,0,0|2,0,1]=3 182 B9R0.2 CCCOCCCC(=O)C 7a_100000759063_100000210303 [0,0,0,0,0,0|2,0,1]=3 183 B9R0.2 CCCOCCCC(=O)N 34a_100000210258_100102525003 [0,0,0,0,0,0|3,0,1]=4 184 B9R0.2 CCCOCCNC(=O)C 1626a_100161115042_100015343762 [0,0,0,0,0,0|2,0,1]=3 185 B9R0.2 CCCOCCNC(=O)C 240690a_100161115042_100015343762 [0,0,0,0,0,0|2,0,1]=3 186 B9R0.2 CCCOCCNC(=O)C 34a_100000158858_100000210303 [0,0,0,0,0,0|2,0,1]=3 187 B9R0.2 CCCOCCNC(=O)C 527a_100161115042_100103153847 [0,0,0,0,0,0|2,0,1]=3 188 B9R0.2 CCCOCCNC(=O)N 34a_100000181757_100000210303 [0,0,0,0,0,0|3,0,1]=4 189 B9R0.2 CCCOCCOC(=O)C 34a_100000210258_100009814007 [0,0,0,0,0,0|1,0,1]=2 190 B9R0.2 CCCOCCOC(=O)N 34a_100000210258_200011214921 [0,0,0,0,0,0|2,0,1]=3 191 B9R0.2 CCCOCCOC(=O)N 7a_100000766696_100000210303 [0,0,0,0,0,0|2,0,1]=3 192 B9R0.2 CCCOCCOC(C)C 34a_100000210258_100000211751 [0,0,0,0,0,0|2,0,2]=4 193 B9R0.2 CCCOCCOC(C)C 34a_100000211219_100000210303 [0,0,0,0,0,0|2,0,2]=4 194 B9R0.2 CCCOCCOC(C)C 34a_100000212225_100011215938 [0,0,0,0,0,0|2,0,2]=4 195 B9R0.2 CCCOCCOC(C)C 34a_100000752267_100000210206 [0,0,0,0,0,0|2,0,2]=4 196 B9R0.2 CCCOCCOC(C)C 7a_100000211219_100000210303 [0,0,0,0,0,0|2,0,2]=4 197 B9R0.2 CCCOCCOC(C)C 7a_100000752267_100000210206 [0,0,0,0,0,0|2,0,2]=4 198 B9R0.2 CCCSCCC=C(C)C 62a_100000210303_100011217483 [0,0,0,0,0,0|3,0,1]=4 199 B9R0.2 CCCSCCC=C(C)C 62a_100011217483_100000210303 [0,0,0,0,0,0|3,0,1]=4 200 B9R0.2 CCCSCCCC(=O)C 62a_100000210303_100011215641 [0,0,0,0,0,0|2,0,1]=3 201 B9R0.2 CCCSCCCC(=O)C 62a_100011215641_100000210303 [0,0,0,0,0,0|2,0,1]=3 202 B9R0.2 CCCSCCCC(=O)N 62a_100000210303_100102525003 [0,0,0,0,0,0|3,0,1]=4 203 B9R0.2 CCCSCCCC(=O)N 62a_100102525003_100000210303 [0,0,0,0,0,0|3,0,1]=4 204 B9R0.2 CCCSCCNC(=O)C 11a_100020603323_100015343762 [0,0,0,0,0,0|2,0,1]=3 205 B9R0.2 CCCSCCNC(=O)C 240690a_100020603323_100015343762 [0,0,0,0,0,0|2,0,1]=3 206 B9R0.2 CCCSCCNC(=O)C 527a_100020603323_100103153847 [0,0,0,0,0,0|2,0,1]=3 207 B9R0.2 CCCSCCNC(=O)C 62a_100000189650_100000210303 [0,0,0,0,0,0|2,0,1]=3 208 B9R0.2 CCCSCCNC(=O)C 62a_100000210303_100000189650 [0,0,0,0,0,0|2,0,1]=3 209 B9R0.2 CCCSCCNC(=O)N 62a_100000210303_200000034859 [0,0,0,0,0,0|3,0,1]=4 210 B9R0.2 CCCSCCNC(=O)N 62a_200000034859_100000210303 [0,0,0,0,0,0|3,0,1]=4 211 B9R0.2 CCCSCCOC(=O)C 62a_100000210303_100009814007 [0,0,0,0,0,0|1,0,1]=2 212 B9R0.2 CCCSCCOC(=O)C 62a_100009814007_100000210303 [0,0,0,0,0,0|1,0,1]=2 213 B9R0.2 CCCSCCOC(=O)N 62a_100000210303_200011214921 [0,0,0,0,0,0|2,0,1]=3 214 B9R0.2 CCCSCCOC(=O)N 62a_200011214921_100000210303 [0,0,0,0,0,0|2,0,1]=3 215 B9R0.2 CCCSCCOC(C)C 34a_200000230433_100000210206 [0,0,0,0,0,0|2,0,2]=4 216 B9R0.2 CCCSCCOC(C)C 62a_100000210303_100000211751 [0,0,0,0,0,0|2,0,2]=4 217 B9R0.2 CCCSCCOC(C)C 62a_100000211751_100000210303 [0,0,0,0,0,0|2,0,2]=4 218 B9R0.2 CCCSCCOC(C)C 7a_200000230433_100000210206 [0,0,0,0,0,0|2,0,2]=4 219 B9R0.2 CCNCCCCC(=O)N 34a_100000696515_100000210202 [0,0,0,0,0,0|3,0,1]=4 220 B9R0.2 CCNCCCNC(=O)C 34a_100000736810_100000210202 [0,0,0,0,0,0|2,0,1]=3 221 B9R0.2 CCNCCCOC(=S)C 2230a_100015525214_200135323944 [0,0,0,0,0,0|1,1,1]=3 222 B9R0.2 CCNCCCOC(C)C 2230a_100000737246_100000210202 [0,0,0,0,0,0|2,0,2]=4 223 B9R0.2 CCNCCCOC(C)C 34a_100000737246_100000210202 [0,0,0,0,0,0|2,0,2]=4 224 B9R0.2 CCNCCCSC(=O)C 2230a_100015525214_100000038929 [0,0,0,0,0,0|1,1,1]=3 225 B9R0.2 CCOCCCCC(=O)C 34a_100121572206_100009817362 [0,0,0,0,0,0|2,0,1]=3 226 B9R0.2 CCOCCCCC(=O)N 34a_100012022536_100000210202 [0,0,0,0,0,0|3,0,1]=4 227 B9R0.2 CCOCCCCC(=O)N 7a_100012022536_100000210202 [0,0,0,0,0,0|3,0,1]=4 228 B9R0.2 CCOCCCNC(=O)C 11a_100000210961_100015343762 [0,0,0,0,0,0|2,0,1]=3 229 B9R0.2 CCOCCCNC(=O)C 1626a_100000210961_100015343762 [0,0,0,0,0,0|2,0,1]=3 230 B9R0.2 CCOCCCNC(=O)C 240690a_100000210961_100015343762 [0,0,0,0,0,0|2,0,1]=3 231 B9R0.2 CCOCCCNC(=O)C 34a_100000752032_100000210202 [0,0,0,0,0,0|2,0,1]=3 232 B9R0.2 CCOCCCNC(=O)C 527a_100000210961_100103153847 [0,0,0,0,0,0|2,0,1]=3 233 B9R0.2 CCOCCCOC(=O)C 34a_100121572206_100000042594 [0,0,0,0,0,0|1,0,1]=2 234 B9R0.2 CCOCCCOC(=S)C 34a_100121572206_200135323944 [0,0,0,0,0,0|1,1,1]=3 235 B9R0.2 CCOCCCOC(C)C 34a_100000212225_100012232248 [0,0,0,0,0,0|2,0,2]=4 236 B9R0.2 CCOCCCOC(C)C 34a_100000757476_100000210206 [0,0,0,0,0,0|2,0,2]=4 237 B9R0.2 CCOCCCOC(C)C 7a_100000757476_100000210206 [0,0,0,0,0,0|2,0,2]=4 238 B9R0.2 CCOCCCSC(=O)C 34a_100121572206_100000038929 [0,0,0,0,0,0|1,1,1]=3 239 B9R0.2 CCOCCNNC(=O)C 22a_100000732670_100000070787 [0,0,0,0,0,0|3,0,1]=4 240 B9R0.2 CCOCCOCC(=O)C 34a_100000211253_100000210147 [0,0,0,0,0,0|3,0,1]=4 241 B9R0.2 CCOCSCCC(=O)C 62a_100000053229_100000739092 [0,0,0,0,0,0|3,0,1]=4 242 B9R0.2 CCOCSCCC(=O)C 62a_100000739092_100000053229 [0,0,0,0,0,0|3,0,1]=4 243 B9R0.2 CCOCSCOC(=O)C 62a_100000076356_100000739092 [0,0,0,0,0,0|2,0,1]=3 244 B9R0.2 CCOCSCOC(=O)C 62a_100000739092_100000076356 [0,0,0,0,0,0|2,0,1]=3 245 B9R0.2 CCSCCCCC(=O)C 62a_100000210202_100000735457 [0,0,0,0,0,0|2,0,1]=3 246 B9R0.2 CCSCCCCC(=O)C 62a_100000735457_100000210202 [0,0,0,0,0,0|2,0,1]=3 247 B9R0.2 CCSCCCOC(=O)C 62a_100000042594_100000210202 [0,0,0,0,0,0|1,0,1]=2 248 B9R0.2 CCSCCCOC(=O)C 62a_100000210202_100000042594 [0,0,0,0,0,0|1,0,1]=2 249 B9R0.2 CCSCCCOC(=S)C 62a_100000210202_200135323944 [0,0,0,0,0,0|1,1,1]=3 250 B9R0.2 CCSCCCOC(=S)C 62a_200135323944_100000210202 [0,0,0,0,0,0|1,1,1]=3 251 B9R0.2 CCSCCCOC(C)C 34a_100011216438_100000210206 [0,0,0,0,0,0|2,0,2]=4 252 B9R0.2 CCSCCCOC(C)C 7a_100011216438_100000210206 [0,0,0,0,0,0|2,0,2]=4 253 B9R0.2 CCSCCCSC(=O)C 62a_100000038929_100000210202 [0,0,0,0,0,0|1,1,1]=3 254 B9R0.2 CCSCCCSC(=O)C 62a_100000210202_100000038929 [0,0,0,0,0,0|1,1,1]=3 255 B9R0.2 CCSCCOCC(=O)C 34a_100000211253_100000757381 [0,0,0,0,0,0|3,0,1]=4 256 B9R0.2 CNCCCCNC(=O)C 2230a_200011368371_200000210301 [0,0,0,0,0,0|2,0,2]=4 257 B9R0.2 CNCCCCNC(=O)C 34a_200011368371_200000210301 [0,0,0,0,0,0|2,0,2]=4 258 B9R0.2 CNCCCCOC(=O)C 34a_100102657272_100000033659 [0,0,0,0,0,0|1,0,2]=3 259 B9R0.2 CNCCCCOC(=O)C 7a_106832991635_100000033659 [0,0,0,0,0,0|1,0,2]=3 260 B9R0.2 CNCCCCSC(=O)C 2230a_106832991635_200010402107 [0,0,0,0,0,0|1,1,2]=4 261 B9R0.2 CNCCCCSC(=O)C 34a_100102657272_200010402107 [0,0,0,0,0,0|1,1,2]=4 262 B9R0.2 CNCCCCSC(=O)C 7a_106832991635_200010402107 [0,0,0,0,0,0|1,1,2]=4 263 B9R0.2 CNCOCCOC(=O)C 34a_100102657272_100000076355 [0,0,0,0,0,0|2,0,1]=3 264 B9R0.2 COCCCCCC(=O)C 1458a_100011935119_200000210301 [0,0,0,0,0,0|2,0,2]=4 265 B9R0.2 COCCCCCC(=O)[13CH3] 1458a_100011935119_200025704644 [0,0,0,0,0,0|2,0,2]=4 266 B9R0.2 COCCCCOC(=O)C 34a_100000073216_200000210301 [0,0,0,0,0,0|1,0,2]=3 267 B9R0.2 COCCCCOC(=O)C 34a_100138415774_100000033659 [0,0,0,0,0,0|1,0,2]=3 268 B9R0.2 COCCCCOC(=O)C 7a_100000073216_200000210301 [0,0,0,0,0,0|1,0,2]=3 269 B9R0.2 COCCCCSC(=O)C 34a_100138415774_200010402107 [0,0,0,0,0,0|1,1,2]=4 270 B9R0.2 COCCOCOC(=O)C 34a_100000210237_100009813279 [0,0,0,0,0,0|2,0,2]=4 271 B9R0.2 COCCSCOC(=O)C 62a_100000076356_100000233755 [0,0,0,0,0,0|2,0,2]=4 272 B9R0.2 COCCSCOC(=O)C 62a_100000233755_100000076356 [0,0,0,0,0,0|2,0,2]=4 273 B9R0.2 COCNCCNC(=O)C 2230a_100000209853_100000766300 [0,0,0,0,0,0|3,0,1]=4 274 B9R0.2 COCOCCOC(=O)C 34a_100138415774_100000076355 [0,0,0,0,0,0|2,0,1]=3 275 B9R0.2 COCSCCCC(=O)C 62a_100000766300_100011215641 [0,0,0,0,0,0|3,0,1]=4 276 B9R0.2 COCSCCCC(=O)C 62a_100011215641_100000766300 [0,0,0,0,0,0|3,0,1]=4 277 B9R0.2 COCSCCNC(=O)C 62a_100000189650_100000766300 [0,0,0,0,0,0|3,0,1]=4 278 B9R0.2 COCSCCNC(=O)C 62a_100000766300_100000189650 [0,0,0,0,0,0|3,0,1]=4 279 B9R0.2 COCSCCOC(=O)C 62a_100000766300_100009814007 [0,0,0,0,0,0|2,0,1]=3 280 B9R0.2 COCSCCOC(=O)C 62a_100009814007_100000766300 [0,0,0,0,0,0|2,0,1]=3 281 B9R0.2 COCSCCOC(=O)N 62a_100000766300_200011214921 [0,0,0,0,0,0|3,0,1]=4 282 B9R0.2 COCSCCOC(=O)N 62a_200011214921_100000766300 [0,0,0,0,0,0|3,0,1]=4 283 B9R0.2 CSCCCCOC(=O)C 62a_100000033659_200000210301 [0,0,0,0,0,0|1,0,2]=3 284 B9R0.2 CSCCCCOC(=O)C 62a_200000210301_100000033659 [0,0,0,0,0,0|1,0,2]=3 285 B9R0.2 CSCCCCSC(=O)C 62a_200000210301_200010402107 [0,0,0,0,0,0|1,1,2]=4 286 B9R0.2 CSCCCCSC(=O)C 62a_200010402107_200000210301 [0,0,0,0,0,0|1,1,2]=4 287 B9R0.2 CSCCOCOC(=O)C 34a_100000230434_100009813279 [0,0,0,0,0,0|2,0,2]=4 288 B9R0.2 CSCCSCOC(=O)C 62a_100000076356_100000751147 [0,0,0,0,0,0|2,0,2]=4 289 B9R0.2 CSCCSCOC(=O)C 62a_100000212216_100000076356 [0,0,0,0,0,0|2,0,2]=4 290 B9R0.2 CSCNCCNC(=O)C 2230a_100000209853_100011218213 [0,0,0,0,0,0|3,0,1]=4 291 B9R0.2 CSCOCCCC(=O)C 34a_100000759063_100011218213 [0,0,0,0,0,0|3,0,1]=4 292 B9R0.2 CSCOCCNC(=O)C 34a_100000158858_100011218213 [0,0,0,0,0,0|3,0,1]=4 293 B9R0.2 CSCOCCOC(=O)C 62a_100000076355_200000210301 [0,0,0,0,0,0|2,0,1]=3 294 B9R0.2 CSCOCCOC(=O)C 62a_200000210301_100000076355 [0,0,0,0,0,0|2,0,1]=3 295 B9R0.2 CSCSCCCC(=O)C 62a_100011215641_100011218213 [0,0,0,0,0,0|3,0,1]=4 296 B9R0.2 CSCSCCCC(=O)C 62a_100011218213_100011215641 [0,0,0,0,0,0|3,0,1]=4 297 B9R0.2 CSCSCCNC(=O)C 62a_100000189650_100011218213 [0,0,0,0,0,0|3,0,1]=4 298 B9R0.2 CSCSCCNC(=O)C 62a_100011218213_100000189650 [0,0,0,0,0,0|3,0,1]=4 299 B9R0.2 CSCSCCOC(=O)C 62a_100009814007_100011218213 [0,0,0,0,0,0|2,0,1]=3 300 B9R0.2 CSCSCCOC(=O)C 62a_100011218213_100009814007 [0,0,0,0,0,0|2,0,1]=3 301 B9R0.2 CSCSCCOC(=O)N 62a_100011218213_200011214921 [0,0,0,0,0,0|3,0,1]=4 302 B9R0.2 CSCSCCOC(=O)N 62a_200011214921_100011218213 [0,0,0,0,0,0|3,0,1]=4 303 B9R0.2 NC(=O)OCCNCCF 34a_100000724931_200011214921 [0,0,0,0,0,0|3,0,1]=4 304 B9R0.2 NC(=O)OCCNCCO 34a_100016990907_200011214921 [0,0,0,0,0,0|3,0,1]=4 305 B9R0.2 NC(=O)OCCOCCBr 34a_100000211926_200011214921 [0,0,0,0,0,0|3,0,1]=4 306 B9R0.2 NC(=O)OCCOCCF 7a_100000766696_100011217306 [0,0,0,0,0,0|3,0,1]=4 307 B9R0.2 NC(=O)OCCOCCO 7a_100000766696_100000211926 [0,0,0,0,0,0|3,0,1]=4 308 B9R0.2 NC(=O)OCCSCCF 62a_100011217306_200011214921 [0,0,0,0,0,0|3,0,1]=4 309 B9R0.2 NC(=O)OCCSCCF 62a_200011214921_100011217306 [0,0,0,0,0,0|3,0,1]=4 310 B9R0.2 NC(=O)OCCSCCO 62a_100000211926_200011214921 [0,0,0,0,0,0|3,0,1]=4 311 B9R0.2 NC(=O)OCCSCCO 62a_200011214921_100000211926 [0,0,0,0,0,0|3,0,1]=4 312 B9R0.2 NCCOCCOC(=O)N 34a_100000210304_200011214921 [0,0,0,0,0,0|3,0,1]=4 313 B9R0.2 [13CH3]C(=O)CCCCCCO 1458a_100011996774_200025704644 [0,0,0,0,0,0|2,0,2]=4 314 B8R0.4 C/C=C/C=C/COCC 34a_100016283227_100000210202 [1,0,0,0,0,0|0,0,3]=4 315 B8R0.4 C/C=C/CCOCCC 34a_100016278192_100000210303 [1,0,0,0,0,0|2,0,1]=4 316 B8R0.4 C=CCNC/C=C\CC 2230a_100020586998_100103147603 [1,0,0,0,0,0|2,0,1]=4 317 B8R0.4 C=CCOC/C=C\CC 34a_100016268518_100015514636 [1,0,0,0,0,0|2,0,1]=4 318 B8R0.4 C=CCOC/C=C\CC 34a_200000210373_100103147603 [1,0,0,0,0,0|2,0,1]=4 319 B8R0.4 C=CCSC/C=C\CC 62a_100000210623_100103147603 [1,0,0,0,0,0|2,0,1]=4 320 B8R0.4 C=CCSC/C=C\CC 62a_100103147603_100000210623 [1,0,0,0,0,0|2,0,1]=4 321 B8R0.4 C=COCCCNCC 2230a_100000210767_100000210202 [1,0,0,0,0,0|1,0,2]=4 322 B8R0.4 C=COCCCNCC 34a_100000210767_100000210202 [1,0,0,0,0,0|1,0,2]=4 323 B8R0.4 C=COCCOCCC 34a_100000033082_100000210303 [1,0,0,0,0,0|1,0,2]=4 324 B8R0.4 C=COCCOCCC 34a_100000210258_100000039644 [1,0,0,0,0,0|1,0,2]=4 325 B8R0.4 C=COCCSCCC 62a_100000039644_100000210303 [1,0,0,0,0,0|1,0,2]=4 326 B8R0.4 C=COCCSCCC 62a_100000210303_100000039644 [1,0,0,0,0,0|1,0,2]=4 327 B8R0.4 CC/C=C/CCCOC 34a_100016287902_200000210301 [1,0,0,0,0,0|2,0,0]=3 328 B8R0.4 CC/C=C/CCCOC 7a_100016287902_200000210301 [1,0,0,0,0,0|2,0,0]=3 329 B8R0.4 CC/C=C/CCCO[13CH3] 34a_100016287902_200025704644 [1,0,0,0,0,0|2,0,0]=3 330 B8R0.4 CC/C=C/CCCO[13CH3] 7a_100016287902_200025704644 [1,0,0,0,0,0|2,0,0]=3 331 B8R0.4 CC/C=C\CCNCC 2230a_100015525214_100015370543 [1,0,0,0,0,0|1,0,1]=3 332 B8R0.4 CC/C=C\CCOCC 34a_100016288707_100000210202 [1,0,0,0,0,0|0,0,1]=2 333 B8R0.4 CC/C=C\CCOCC 34a_100121572206_100015370543 [1,0,0,0,0,0|0,0,1]=2 334 B8R0.4 CC/C=C\CCOCC 7a_100016288707_100000210202 [1,0,0,0,0,0|0,0,1]=2 335 B8R0.4 CC/C=C\CCOCF 34a_100016288707_100015361967 [1,0,0,0,0,0|1,0,1]=3 336 B8R0.4 CC/C=C\CCOCF 7a_100016288707_100015361967 [1,0,0,0,0,0|1,0,1]=3 337 B8R0.4 CC/C=C\CCSCC 62a_100000210202_100015370543 [1,0,0,0,0,0|0,1,1]=3 338 B8R0.4 CC/C=C\CCSCC 62a_100015370543_100000210202 [1,0,0,0,0,0|0,1,1]=3 339 B8R0.4 CC/C=C\CCSCF 62a_100015361967_100015370543 [1,0,0,0,0,0|1,1,1]=4 340 B8R0.4 CC/C=C\CCSCF 62a_100015370543_100015361967 [1,0,0,0,0,0|1,1,1]=4 341 B8R0.4 CC/C=C\COCC=O 34a_100016268518_200009817547 [1,0,0,0,0,0|2,0,0]=3 342 B8R0.4 CC/C=C\COCCC 34a_100000210258_100103147603 [1,0,0,0,0,0|2,0,1]=4 343 B8R0.4 CC/C=C\COCCC 34a_100016268518_100000210303 [1,0,0,0,0,0|2,0,1]=4 344 B8R0.4 CC/C=C\COCSC 34a_100016268518_100011218213 [1,0,0,0,0,0|3,0,0]=4 345 B8R0.4 CC/C=C\CSCC=O 62a_100103147603_200015260668 [1,0,0,0,0,0|2,0,0]=3 346 B8R0.4 CC/C=C\CSCC=O 62a_200015260668_100103147603 [1,0,0,0,0,0|2,0,0]=3 347 B8R0.4 CC/C=C\CSCCC 62a_100000210303_100103147603 [1,0,0,0,0,0|2,0,1]=4 348 B8R0.4 CC/C=C\CSCCC 62a_100103147603_100000210303 [1,0,0,0,0,0|2,0,1]=4 349 B8R0.4 CC/C=C\CSCOC 62a_100000766300_100103147603 [1,0,0,0,0,0|3,0,0]=4 350 B8R0.4 CC/C=C\CSCOC 62a_100103147603_100000766300 [1,0,0,0,0,0|3,0,0]=4 351 B8R0.4 CC/C=C\CSCSC 62a_100011218213_100103147603 [1,0,0,0,0,0|3,0,0]=4 352 B8R0.4 CC/C=C\CSCSC 62a_100103147603_100011218213 [1,0,0,0,0,0|3,0,0]=4 353 B8R0.4 CC=C=CCCOCC 34a_100011020354_100000210202 [1,0,0,0,0,0|0,0,3]=4 354 B8R0.4 CC=CCCCOCC 34a_100020645299_100000210202 [1,0,0,0,0,0|0,0,3]=4 355 B8R0.4 CCC#CCCOCC 34a_100000036655_100000210202 [1,0,0,0,0,0|0,0,3]=4 356 B8R0.4 CCC#CCCOCC 7a_100000036655_100000210202 [1,0,0,0,0,0|0,0,3]=4 357 B8R0.4 CCC/C=C/COCC 34a_100016278788_100000210202 [1,0,0,0,0,0|0,0,3]=4 358 B8R0.4 CCC/C=C/COCC 7a_100016278788_100000210202 [1,0,0,0,0,0|0,0,3]=4 359 B8R0.4 CCCCCCOCC 34a_100000210259_100000210202 [1,0,0,0,0,0|0,0,3]=4 360 B8R0.4 CCCCCCOCC 34a_100121572206_100000210314 [1,0,0,0,0,0|0,0,3]=4 361 B8R0.4 CCCCCCOCC 7a_100000210259_100000210202 [1,0,0,0,0,0|0,0,3]=4 362 B8R0.4 CCCNCCOCC 2230a_102516460346_100000210303 [1,0,0,0,0,0|1,0,2]=4 363 B8R0.4 CCCNCCOCC 34a_102516460346_100000210303 [1,0,0,0,0,0|1,0,2]=4 364 B8R0.4 CCCOCCOCC 34a_100000210136_100000210303 [1,0,0,0,0,0|1,0,2]=4 365 B8R0.4 CCCOCCOCC 34a_100000210258_100000210147 [1,0,0,0,0,0|1,0,2]=4 366 B8R0.4 CCCOCCOCC 34a_100000752267_100000210202 [1,0,0,0,0,0|1,0,2]=4 367 B8R0.4 CCCOCCOCC 34a_100121572206_100011215938 [1,0,0,0,0,0|1,0,2]=4 368 B8R0.4 CCCOCCOCC 7a_100000210136_100000210303 [1,0,0,0,0,0|1,0,2]=4 369 B8R0.4 CCCOCCOCC 7a_100000752267_100000210202 [1,0,0,0,0,0|1,0,2]=4 370 B8R0.4 CCCSCCCC=O 62a_100000210303_200011292268 [1,0,0,0,0,0|2,0,1]=4 371 B8R0.4 CCCSCCCC=O 62a_200011292268_100000210303 [1,0,0,0,0,0|2,0,1]=4 372 B8R0.4 CCCSCCOCC 34a_200000230433_100000210202 [1,0,0,0,0,0|1,0,2]=4 373 B8R0.4 CCCSCCOCC 62a_100000210147_100000210303 [1,0,0,0,0,0|1,0,2]=4 374 B8R0.4 CCCSCCOCC 62a_100000210303_100011215890 [1,0,0,0,0,0|1,0,2]=4 375 B8R0.4 CCCSCCOCC 7a_200000230433_100000210202 [1,0,0,0,0,0|1,0,2]=4 376 B8R0.4 CCNCCCCC=O 2230a_100015525214_100000139335 [1,0,0,0,0,0|2,0,1]=4 377 B8R0.4 CCNCCCOCC 2230a_100000210961_100000210202 [1,0,0,0,0,0|1,0,2]=4 378 B8R0.4 CCNCCCOCC 2230a_100015525214_100012232248 [1,0,0,0,0,0|1,0,2]=4 379 B8R0.4 CCNCCCOCC 34a_100000210961_100000210202 [1,0,0,0,0,0|1,0,2]=4 380 B8R0.4 CCOCCCOCC 34a_100000757476_100000210202 [1,0,0,0,0,0|1,0,2]=4 381 B8R0.4 CCOCCCOCC 34a_100121572206_100012232248 [1,0,0,0,0,0|1,0,2]=4 382 B8R0.4 CCOCCCOCC 7a_100000757476_100000210202 [1,0,0,0,0,0|1,0,2]=4 383 B8R0.4 CCOCCCSCC 34a_100011216438_100000210202 [1,0,0,0,0,0|1,0,2]=4 384 B8R0.4 CCOCCCSCC 62a_100000210202_100012232248 [1,0,0,0,0,0|1,0,2]=4 385 B8R0.4 CCOCCCSCC 62a_100012232248_100000210202 [1,0,0,0,0,0|1,0,2]=4 386 B8R0.4 CCOCCCSCC 7a_100011216438_100000210202 [1,0,0,0,0,0|1,0,2]=4 387 B8R0.4 CCSCCCCC=O 62a_100000139335_100000210202 [1,0,0,0,0,0|2,0,1]=4 388 B8R0.4 CCSCCCCC=O 62a_100000210202_100000139335 [1,0,0,0,0,0|2,0,1]=4 389 B8R0.7 C/C=C/CCOC(C)C 34a_100016278192_100000210206 [1,0,0,0,0,0|1,0,1]=3 390 B8R0.7 C/C=C/CNCC(=O)O 269956a_100016091260_100102629194 [1,0,0,0,0,0|3,0,0]=4 391 B8R0.7 C/C=C/COCC(=O)C 34a_100000211253_100102629194 [1,0,0,0,0,0|2,0,0]=3 392 B8R0.7 C/C=C/COCC(=O)N 34a_100016270725_100000187820 [1,0,0,0,0,0|3,0,0]=4 393 B8R0.7 C/C=C/COCC(=O)[O-] 34a_100016270725_100020667443 [1,0,0,0,0,0|3,0,0]=4 394 B8R0.7 C/C=C/CSCC(=O)N 62a_100000747473_100102629194 [1,0,0,0,0,0|3,0,0]=4 395 B8R0.7 C/C=C/CSCC(=O)N 62a_100102629194_100000747473 [1,0,0,0,0,0|3,0,0]=4 396 B8R0.7 C/C=C/CSCC(=O)[O-] 62a_100020667443_100102629194 [1,0,0,0,0,0|3,0,0]=4 397 B8R0.7 C/C=C/CSCC(=O)[O-] 62a_100102629194_100020667443 [1,0,0,0,0,0|3,0,0]=4 398 B8R0.7 C=C(C)CCOCCC 34a_100000210258_100000730704 [1,0,0,0,0,0|2,0,1]=4 399 B8R0.7 C=C(C)CCOCCC 34a_100000764851_100000210303 [1,0,0,0,0,0|2,0,1]=4 400 B8R0.7 C=C(C)CCSCCC 62a_100000210303_100000730704 [1,0,0,0,0,0|2,0,1]=4 401 B8R0.7 C=C(C)CCSCCC 62a_100000730704_100000210303 [1,0,0,0,0,0|2,0,1]=4 402 B8R0.7 C=C(C)COC/C=C/C 34a_100000210245_100102629194 [1,0,0,0,0,0|3,0,0]=4 403 B8R0.7 C=C(C)COC/C=C/C 34a_100016270725_100000748629 [1,0,0,0,0,0|3,0,0]=4 404 B8R0.7 C=C(C)COCC=CC 34a_100000210245_100000070051 [1,0,0,0,0,0|3,0,0]=4 405 B8R0.7 C=C(C)CSC/C=C/C 62a_100000748629_100102629194 [1,0,0,0,0,0|3,0,0]=4 406 B8R0.7 C=C(C)CSC/C=C/C 62a_100102629194_100000211660 [1,0,0,0,0,0|3,0,0]=4 407 B8R0.7 C=C(C)CSCC=CC 62a_100000070051_100000211660 [1,0,0,0,0,0|3,0,0]=4 408 B8R0.7 C=C(C)CSCC=CC 62a_100000748629_100000070051 [1,0,0,0,0,0|3,0,0]=4 409 B8R0.7 C=CCCCCC(=O)C 1458a_100000070787_100011215482 [1,0,0,0,0,0|1,0,2]=4 410 B8R0.7 C=CCCCCC(=O)C 1458a_100011215552_200000210301 [1,0,0,0,0,0|1,0,2]=4 411 B8R0.7 C=CCCCCC(=O)[13CH3] 1458a_100011215552_200025704644 [1,0,0,0,0,0|1,0,2]=4 412 B8R0.7 C=CCCCNC(=O)C 11a_100000700776_100015343762 [1,0,0,0,0,0|1,0,2]=4 413 B8R0.7 C=CCCCNC(=O)C 1626a_100000700776_100015343762 [1,0,0,0,0,0|1,0,2]=4 414 B8R0.7 C=CCCCNC(=O)C 240690a_100000700776_100015343762 [1,0,0,0,0,0|1,0,2]=4 415 B8R0.7 C=CCCCNC(=O)C 527a_100000700776_100103153847 [1,0,0,0,0,0|1,0,2]=4 416 B8R0.7 C=CCOCOC(=O)C 34a_200000210373_100009813279 [1,0,0,0,0,0|1,0,2]=4 417 B8R0.7 C=CCSCOC(=O)C 62a_100000076356_100000210623 [1,0,0,0,0,0|1,0,2]=4 418 B8R0.7 C=CCSCOC(=O)C 62a_100000210623_100000076356 [1,0,0,0,0,0|1,0,2]=4 419 B8R0.7 CC(=O)CCCCCF 1458a_100000070787_100000729378 [1,0,0,0,0,0|1,0,2]=4 420 B8R0.7 CC(=O)CCCCCO 1458a_100000070787_100000746330 [1,0,0,0,0,0|1,0,2]=4 421 B8R0.7 CC(=O)CCCCCO 1458a_100102619762_200000210301 [1,0,0,0,0,0|1,0,2]=4 422 B8R0.7 CC(=O)CCCCS[13CH3] 62a_100000735457_200025704644 [1,0,0,0,0,0|1,0,2]=4 423 B8R0.7 CC(=O)CCCCS[13CH3] 62a_200025704644_100000735457 [1,0,0,0,0,0|1,0,2]=4 424 B8R0.7 CC(=O)CCCOCF 34a_100000759063_100015361967 [1,0,0,0,0,0|2,0,1]=4 425 B8R0.7 CC(=O)CCCOCF 7a_100000759063_100015361967 [1,0,0,0,0,0|2,0,1]=4 426 B8R0.7 CC(=O)CCCSCF 62a_100011215641_100015361967 [1,0,0,0,0,0|2,0,1]=4 427 B8R0.7 CC(=O)CCCSCF 62a_100015361967_100011215641 [1,0,0,0,0,0|2,0,1]=4 428 B8R0.7 CC(=O)CCOCCF 34a_100000759926_100011217306 [1,0,0,0,0,0|2,0,1]=4 429 B8R0.7 CC(=O)CCOCCF 7a_100000759926_100011217306 [1,0,0,0,0,0|2,0,1]=4 430 B8R0.7 CC(=O)CCOCCO 1458a_100000070787_100011215305 [1,0,0,0,0,0|2,0,1]=4 431 B8R0.7 CC(=O)CCOCCO 1458a_100011229844_200000210301 [1,0,0,0,0,0|2,0,1]=4 432 B8R0.7 CC(=O)CCOCCO 34a_100000759926_100000211926 [1,0,0,0,0,0|2,0,1]=4 433 B8R0.7 CC(=O)CCOCCO 7a_100000759926_100000211926 [1,0,0,0,0,0|2,0,1]=4 434 B8R0.7 CC(=O)CCSCCF 62a_100000053229_100011217306 [1,0,0,0,0,0|2,0,1]=4 435 B8R0.7 CC(=O)CCSCCF 62a_100011217306_100000053229 [1,0,0,0,0,0|2,0,1]=4 436 B8R0.7 CC(=O)CCSCCO 62a_100000053229_100000211926 [1,0,0,0,0,0|2,0,1]=4 437 B8R0.7 CC(=O)CCSCCO 62a_100000211926_100000053229 [1,0,0,0,0,0|2,0,1]=4 438 B8R0.7 CC(=O)NCCCCO 240690a_100000750430_100015343762 [1,0,0,0,0,0|2,0,1]=4 439 B8R0.7 CC(=O)NCCCCO 527a_100000750430_100103153847 [1,0,0,0,0,0|2,0,1]=4 440 B8R0.7 CC(=O)NCCCN[13CH3] 34a_100000736810_200025704644 [1,0,0,0,0,0|2,0,1]=4 441 B8R0.7 CC(=O)NCCCO[13CH3] 34a_100000752032_200025704644 [1,0,0,0,0,0|2,0,1]=4 442 B8R0.7 CC(=O)NCCOCF 34a_100000158858_100015361967 [1,0,0,0,0,0|3,0,0]=4 443 B8R0.7 CC(=O)NCCSCF 62a_100000189650_100015361967 [1,0,0,0,0,0|3,0,0]=4 444 B8R0.7 CC(=O)NCCSCF 62a_100015361967_100000189650 [1,0,0,0,0,0|3,0,0]=4 445 B8R0.7 CC(=O)OCCCS[13CH3] 62a_100000042594_200025704644 [1,0,0,0,0,0|1,0,1]=3 446 B8R0.7 CC(=O)OCCCS[13CH3] 62a_200025704644_100000042594 [1,0,0,0,0,0|1,0,1]=3 447 B8R0.7 CC(=O)OCCSCF 62a_100009814007_100015361967 [1,0,0,0,0,0|2,0,0]=3 448 B8R0.7 CC(=O)OCCSCF 62a_100015361967_100009814007 [1,0,0,0,0,0|2,0,0]=3 449 B8R0.7 CC(=O)OCNCCF 34a_100000724931_100009813279 [1,0,0,0,0,0|2,0,1]=4 450 B8R0.7 CC(=O)OCNCCO 34a_100016990907_100009813279 [1,0,0,0,0,0|2,0,1]=4 451 B8R0.7 CC(=O)OCOCCBr 34a_100000211926_100009813279 [1,0,0,0,0,0|2,0,1]=4 452 B8R0.7 CC(=O)OCOCCN 34a_100000210304_100009813279 [1,0,0,0,0,0|2,0,1]=4 453 B8R0.7 CC(=O)OCSCC=O 62a_100000076356_200015260668 [1,0,0,0,0,0|2,0,1]=4 454 B8R0.7 CC(=O)OCSCC=O 62a_200015260668_100000076356 [1,0,0,0,0,0|2,0,1]=4 455 B8R0.7 CC(=O)OCSCCF 62a_100000076356_100011217306 [1,0,0,0,0,0|2,0,1]=4 456 B8R0.7 CC(=O)OCSCCF 62a_100011217306_100000076356 [1,0,0,0,0,0|2,0,1]=4 457 B8R0.7 CC(=O)OCSCCO 62a_100000076356_100000211926 [1,0,0,0,0,0|2,0,1]=4 458 B8R0.7 CC(=O)OCSCCO 62a_100000211926_100000076356 [1,0,0,0,0,0|2,0,1]=4 459 B8R0.7 CC(=O)SCCCS[13CH3] 62a_100000038929_200025704644 [1,0,0,0,0,0|1,1,1]=4 460 B8R0.7 CC(=O)SCCCS[13CH3] 62a_200025704644_100000038929 [1,0,0,0,0,0|1,1,1]=4 461 B8R0.7 CC(=S)OCCCS[13CH3] 62a_200025704644_200135323944 [1,0,0,0,0,0|1,1,1]=4 462 B8R0.7 CC(=S)OCCCS[13CH3] 62a_200135323944_200025704644 [1,0,0,0,0,0|1,1,1]=4 463 B8R0.7 CC/C=C\CCC(=O)C 1458a_100000070787_100015370543 [1,0,0,0,0,0|0,0,0]=1 464 B8R0.7 CC/C=C\CCN(C)C 2230a_100102631434_100015370543 [1,0,0,0,0,0|2,0,0]=3 465 B8R0.7 CC/C=C\CCN(C)C 269982a_100102631434_100015370543 [1,0,0,0,0,0|2,0,0]=3 466 B8R0.7 CC/C=C\CNC(C)C 2230a_100138425928_100103147603 [1,0,0,0,0,0|2,0,1]=4 467 B8R0.7 CC/C=C\CNC(C)C 34a_100138425928_100103147603 [1,0,0,0,0,0|2,0,1]=4 468 B8R0.7 CC/C=C\COC(C)C 34a_100000212225_100103147603 [1,0,0,0,0,0|1,0,1]=3 469 B8R0.7 CC/C=C\COC(C)C 34a_100016268518_100000210206 [1,0,0,0,0,0|1,0,1]=3 470 B8R0.7 CC/C=C\CSC(C)C 62a_100000210206_100103147603 [1,0,0,0,0,0|1,1,1]=4 471 B8R0.7 CC/C=C\CSC(C)C 62a_100103147603_100000210206 [1,0,0,0,0,0|1,1,1]=4 472 B8R0.7 CC=CCNCC(=O)N 2230a_100000711301_100000070051 [1,0,0,0,0,0|3,0,0]=4 473 B8R0.7 CC=CCOCC(=O)C 34a_100000211253_100000070051 [1,0,0,0,0,0|2,0,0]=3 474 B8R0.7 CC=CCSCC(=O)N 62a_100000070051_100000747473 [1,0,0,0,0,0|3,0,0]=4 475 B8R0.7 CC=CCSCC(=O)N 62a_100000747473_100000070051 [1,0,0,0,0,0|3,0,0]=4 476 B8R0.7 CC=CCSCC(=O)[O-] 62a_100000070051_100020667443 [1,0,0,0,0,0|3,0,0]=4 477 B8R0.7 CC=CCSCC(=O)[O-] 62a_100020667443_100000070051 [1,0,0,0,0,0|3,0,0]=4 478 B8R0.7 CCC/C=C/CC(=O)C 1458a_200016266809_200000210301 [1,0,0,0,0,0|0,0,2]=3 479 B8R0.7 CCC/C=C/CC(=O)[13CH3] 1458a_200016266809_200025704644 [1,0,0,0,0,0|0,0,2]=3 480 B8R0.7 CCCC=NNC(=O)C 4a_100000189765_100000185831 [1,0,0,0,0,0|2,0,1]=4 481 B8R0.7 CCCCC=CC(=O)C 1458a_100016266645_200000210301 [1,0,0,0,0,0|1,0,2]=4 482 B8R0.7 CCCCC=CC(=O)[13CH3] 1458a_100016266645_200025704644 [1,0,0,0,0,0|1,0,2]=4 483 B8R0.7 CCCCCCC(=O)C 1458a_100000070787_100000210757 [1,0,0,0,0,0|0,0,2]=3 484 B8R0.7 CCCCCCC(=O)C 1458a_100102632555_200000210301 [1,0,0,0,0,0|0,0,2]=3 485 B8R0.7 CCCCCCC(=O)[13CH3] 1458a_100102632555_200025704644 [1,0,0,0,0,0|0,0,2]=3 486 B8R0.7 CCCCCNC(=O)C 11a_100000209983_100015343762 [1,0,0,0,0,0|1,0,1]=3 487 B8R0.7 CCCCCNC(=O)C 1626a_100000209983_100015343762 [1,0,0,0,0,0|1,0,1]=3 488 B8R0.7 CCCCCNC(=O)C 240690a_100000209983_100015343762 [1,0,0,0,0,0|1,0,1]=3 489 B8R0.7 CCCCCNC(=O)C 527a_100000209983_100103153847 [1,0,0,0,0,0|1,0,1]=3 490 B8R0.7 CCCCCOC(C)C 34a_100000210253_100000210206 [1,0,0,0,0,0|1,0,2]=4 491 B8R0.7 CCCCCOC(C)C 34a_100000212225_100000718602 [1,0,0,0,0,0|1,0,2]=4 492 B8R0.7 CCCCCOC(C)C 7a_100000210253_100000210206 [1,0,0,0,0,0|1,0,2]=4 493 B8R0.7 CCCCNNC(=O)C 22a_100025702795_100000070787 [1,0,0,0,0,0|2,0,1]=4 494 B8R0.7 CCCCOCC(=O)C 1458a_100000070787_100011995733 [1,0,0,0,0,0|1,0,2]=4 495 B8R0.7 CCCCOCC(=O)C 1458a_100000757543_200000210301 [1,0,0,0,0,0|1,0,2]=4 496 B8R0.7 CCCCOCC(=O)C 34a_100000211253_100000210210 [1,0,0,0,0,0|1,0,2]=4 497 B8R0.7 CCCCOCC(=O)[13CH3] 1458a_100000757543_200025704644 [1,0,0,0,0,0|1,0,2]=4 498 B8R0.7 CCCCSCC(=O)C 1458a_100000191162_200000210301 [1,0,0,0,0,0|1,0,2]=4 499 B8R0.7 CCCCSCC(=O)[13CH3] 1458a_100000191162_200025704644 [1,0,0,0,0,0|1,0,2]=4 500 B8R0.7 CCCOCCC(=O)C 1458a_100000070787_100011215938 [1,0,0,0,0,0|1,0,1]=3 501 B8R0.7 CCCOCCC(=O)C 34a_100000759926_100000210303 [1,0,0,0,0,0|1,0,1]=3 502 B8R0.7 CCCOCCC(=O)C 7a_100000759926_100000210303 [1,0,0,0,0,0|1,0,1]=3 503 B8R0.7 CCCOCCC(=O)N 34a_100000210258_100000731001 [1,0,0,0,0,0|2,0,1]=4 504 B8R0.7 CCCOCCC(=O)N 34a_100000757172_100000210303 [1,0,0,0,0,0|2,0,1]=4 505 B8R0.7 CCCOCCC(=O)N 7a_100000757172_100000210303 [1,0,0,0,0,0|2,0,1]=4 506 B8R0.7 CCCOCOC(=O)C 34a_100000210258_100009813279 [1,0,0,0,0,0|1,0,1]=3 507 B8R0.7 CCCSCCC(=O)C 62a_100000053229_100000210303 [1,0,0,0,0,0|1,0,1]=3 508 B8R0.7 CCCSCCC(=O)C 62a_100000210303_100000053229 [1,0,0,0,0,0|1,0,1]=3 509 B8R0.7 CCCSCCC(=O)N 62a_100000210303_100000744528 [1,0,0,0,0,0|2,0,1]=4 510 B8R0.7 CCCSCCC(=O)N 62a_100000744528_100000210303 [1,0,0,0,0,0|2,0,1]=4 511 B8R0.7 CCCSCOC(=O)C 62a_100000076356_100000210303 [1,0,0,0,0,0|1,0,1]=3 512 B8R0.7 CCCSCOC(=O)C 62a_100000210303_100000076356 [1,0,0,0,0,0|1,0,1]=3 513 B8R0.7 CCNCCC=C(C)C 2230a_100015525214_100011217483 [1,0,0,0,0,0|3,0,0]=4 514 B8R0.7 CCNCCCC(=O)N 34a_100000739312_100000210202 [1,0,0,0,0,0|2,0,1]=4 515 B8R0.7 CCNCCCS(=O)C 2230a_200000753449_100000210202 [1,0,0,0,0,0|2,0,1]=4 516 B8R0.7 CCNCCNC(=O)C 2230a_100000209853_100000210202 [1,0,0,0,0,0|2,0,0]=3 517 B8R0.7 CCNCCNC(=O)C 2230a_100015525214_100000189650 [1,0,0,0,0,0|2,0,0]=3 518 B8R0.7 CCNCCNC(=O)N 2230a_100015525214_200000034859 [1,0,0,0,0,0|3,0,0]=4 519 B8R0.7 CCNCCNC(=O)N 34a_100020590234_100000210202 [1,0,0,0,0,0|3,0,0]=4 520 B8R0.7 CCNCCOC(C)C 2230a_100000701111_100000210202 [1,0,0,0,0,0|2,0,1]=4 521 B8R0.7 CCNCCOC(C)C 2230a_100015525214_100000211751 [1,0,0,0,0,0|2,0,1]=4 522 B8R0.7 CCNCCOC(C)C 34a_100000701111_100000210202 [1,0,0,0,0,0|2,0,1]=4 523 B8R0.7 CCOCCC=C(C)C 34a_100121572206_100011217483 [1,0,0,0,0,0|3,0,0]=4 524 B8R0.7 CCOCCCC(=O)C 1458a_100000070787_100012232248 [1,0,0,0,0,0|1,0,1]=3 525 B8R0.7 CCOCCCC(=O)C 34a_100000759063_100000210202 [1,0,0,0,0,0|1,0,1]=3 526 B8R0.7 CCOCCCC(=O)C 34a_100121572206_100000685027 [1,0,0,0,0,0|1,0,1]=3 527 B8R0.7 CCOCCCC(=O)C 7a_100000759063_100000210202 [1,0,0,0,0,0|1,0,1]=3 528 B8R0.7 CCOCCCC(=O)N 34a_100121572206_100102525003 [1,0,0,0,0,0|2,0,1]=4 529 B8R0.7 CCOCCNC(=O)C 11a_100011200944_100015343762 [1,0,0,0,0,0|2,0,0]=3 530 B8R0.7 CCOCCNC(=O)C 1626a_102516460346_100015343762 [1,0,0,0,0,0|2,0,0]=3 531 B8R0.7 CCOCCNC(=O)C 240690a_100011200944_100015343762 [1,0,0,0,0,0|2,0,0]=3 532 B8R0.7 CCOCCNC(=O)C 34a_100000158858_100000210202 [1,0,0,0,0,0|2,0,0]=3 533 B8R0.7 CCOCCNC(=O)C 527a_100011200944_100103153847 [1,0,0,0,0,0|2,0,0]=3 534 B8R0.7 CCOCCNC(=O)N 34a_100000181757_100000210202 [1,0,0,0,0,0|3,0,0]=4 535 B8R0.7 CCOCCOC(=O)C 34a_100121572206_100009814007 [1,0,0,0,0,0|1,0,0]=2 536 B8R0.7 CCOCCOC(=O)N 34a_100121572206_200011214921 [1,0,0,0,0,0|2,0,0]=3 537 B8R0.7 CCOCCOC(=O)N 7a_100000766696_100000210202 [1,0,0,0,0,0|2,0,0]=3 538 B8R0.7 CCOCCOC(C)C 34a_100000210136_100000210206 [1,0,0,0,0,0|2,0,1]=4 539 B8R0.7 CCOCCOC(C)C 34a_100000211219_100000210202 [1,0,0,0,0,0|2,0,1]=4 540 B8R0.7 CCOCCOC(C)C 34a_100000212225_100000210147 [1,0,0,0,0,0|2,0,1]=4 541 B8R0.7 CCOCCOC(C)C 34a_100121572206_100000211751 [1,0,0,0,0,0|2,0,1]=4 542 B8R0.7 CCOCCOC(C)C 7a_100000210136_100000210206 [1,0,0,0,0,0|2,0,1]=4 543 B8R0.7 CCOCCOC(C)C 7a_100000211219_100000210202 [1,0,0,0,0,0|2,0,1]=4 544 B8R0.7 CCSCCC=C(C)C 62a_100000210202_100011217483 [1,0,0,0,0,0|3,0,0]=4 545 B8R0.7 CCSCCC=C(C)C 62a_100011217483_100000210202 [1,0,0,0,0,0|3,0,0]=4 546 B8R0.7 CCSCCCC(=O)C 62a_100000210202_100011215641 [1,0,0,0,0,0|1,0,1]=3 547 B8R0.7 CCSCCCC(=O)C 62a_100011215641_100000210202 [1,0,0,0,0,0|1,0,1]=3 548 B8R0.7 CCSCCCC(=O)N 62a_100000210202_100102525003 [1,0,0,0,0,0|2,0,1]=4 549 B8R0.7 CCSCCCC(=O)N 62a_100102525003_100000210202 [1,0,0,0,0,0|2,0,1]=4 550 B8R0.7 CCSCCNC(=O)C 11a_100000106463_100015343762 [1,0,0,0,0,0|2,0,0]=3 551 B8R0.7 CCSCCNC(=O)C 1626a_100000106463_100015343762 [1,0,0,0,0,0|2,0,0]=3 552 B8R0.7 CCSCCNC(=O)C 240690a_100000106463_100015343762 [1,0,0,0,0,0|2,0,0]=3 553 B8R0.7 CCSCCNC(=O)C 527a_100000106463_100103153847 [1,0,0,0,0,0|2,0,0]=3 554 B8R0.7 CCSCCNC(=O)C 62a_100000189650_100000210202 [1,0,0,0,0,0|2,0,0]=3 555 B8R0.7 CCSCCNC(=O)C 62a_100000210202_100000189650 [1,0,0,0,0,0|2,0,0]=3 556 B8R0.7 CCSCCNC(=O)N 62a_100000210202_200000034859 [1,0,0,0,0,0|3,0,0]=4 557 B8R0.7 CCSCCNC(=O)N 62a_200000034859_100000210202 [1,0,0,0,0,0|3,0,0]=4 558 B8R0.7 CCSCCOC(=O)C 62a_100000210202_100009814007 [1,0,0,0,0,0|1,0,0]=2 559 B8R0.7 CCSCCOC(=O)C 62a_100009814007_100000210202 [1,0,0,0,0,0|1,0,0]=2 560 B8R0.7 CCSCCOC(=O)N 62a_100000210202_200011214921 [1,0,0,0,0,0|2,0,0]=3 561 B8R0.7 CCSCCOC(=O)N 62a_200011214921_100000210202 [1,0,0,0,0,0|2,0,0]=3 562 B8R0.7 CCSCCOC(C)C 34a_100000212035_100000210206 [1,0,0,0,0,0|2,0,1]=4 563 B8R0.7 CCSCCOC(C)C 34a_100000212225_100000757381 [1,0,0,0,0,0|2,0,1]=4 564 B8R0.7 CCSCCOC(C)C 62a_100000210202_100000211751 [1,0,0,0,0,0|2,0,1]=4 565 B8R0.7 CCSCCOC(C)C 62a_100000211751_100000210202 [1,0,0,0,0,0|2,0,1]=4 566 B8R0.7 CCSCCOC(C)C 7a_100000212035_100000210206 [1,0,0,0,0,0|2,0,1]=4 567 B8R0.7 CNCCCCC(=O)C 34a_100102657272_100009817362 [1,0,0,0,0,0|1,0,2]=4 568 B8R0.7 CNCCCCC(=O)C 7a_106832991635_100000735457 [1,0,0,0,0,0|1,0,2]=4 569 B8R0.7 CNCCCNC(=O)C 34a_100000736810_200000210301 [1,0,0,0,0,0|2,0,1]=4 570 B8R0.7 CNCCCOC(=O)C 34a_100102657272_100000042594 [1,0,0,0,0,0|1,0,1]=3 571 B8R0.7 CNCCCOC(=O)C 7a_106832991635_100000042594 [1,0,0,0,0,0|1,0,1]=3 572 B8R0.7 CNCCCOC(=S)C 2230a_106832991635_200135323944 [1,0,0,0,0,0|1,1,1]=4 573 B8R0.7 CNCCCOC(=S)C 34a_100102657272_200135323944 [1,0,0,0,0,0|1,1,1]=4 574 B8R0.7 CNCCCOC(=S)C 7a_106832991635_200135323944 [1,0,0,0,0,0|1,1,1]=4 575 B8R0.7 CNCCCSC(=O)C 2230a_106832991635_100000038929 [1,0,0,0,0,0|1,1,1]=4 576 B8R0.7 CNCCCSC(=O)C 34a_100102657272_100000038929 [1,0,0,0,0,0|1,1,1]=4 577 B8R0.7 CNCCCSC(=O)C 7a_106832991635_100000038929 [1,0,0,0,0,0|1,1,1]=4 578 B8R0.7 COCCCCC(=O)C 1458a_100000070787_100000755781 [1,0,0,0,0,0|1,0,2]=4 579 B8R0.7 COCCCCC(=O)C 34a_100138415774_100009817362 [1,0,0,0,0,0|1,0,2]=4 580 B8R0.7 COCCCNC(=O)C 1626a_100150723488_100015343762 [1,0,0,0,0,0|2,0,1]=4 581 B8R0.7 COCCCNC(=O)C 240690a_100150723488_100015343762 [1,0,0,0,0,0|2,0,1]=4 582 B8R0.7 COCCCNC(=O)C 34a_100000752032_200000210301 [1,0,0,0,0,0|2,0,1]=4 583 B8R0.7 COCCCNC(=O)C 527a_100150723488_100103153847 [1,0,0,0,0,0|2,0,1]=4 584 B8R0.7 COCCCOC(=O)C 34a_100138415774_100000042594 [1,0,0,0,0,0|1,0,1]=3 585 B8R0.7 COCCCOC(=S)C 34a_100138415774_200135323944 [1,0,0,0,0,0|1,1,1]=4 586 B8R0.7 COCCCSC(=O)C 34a_100138415774_100000038929 [1,0,0,0,0,0|1,1,1]=4 587 B8R0.7 COCSCCC(=O)C 62a_100000053229_100000766300 [1,0,0,0,0,0|2,0,1]=4 588 B8R0.7 COCSCCC(=O)C 62a_100000766300_100000053229 [1,0,0,0,0,0|2,0,1]=4 589 B8R0.7 COCSCOC(=O)C 62a_100000076356_100000766300 [1,0,0,0,0,0|2,0,1]=4 590 B8R0.7 COCSCOC(=O)C 62a_100000766300_100000076356 [1,0,0,0,0,0|2,0,1]=4 591 B8R0.7 CSCCCCC(=O)C 62a_100000735457_200000210301 [1,0,0,0,0,0|1,0,2]=4 592 B8R0.7 CSCCCCC(=O)C 62a_200000210301_100000735457 [1,0,0,0,0,0|1,0,2]=4 593 B8R0.7 CSCCCNC(=O)C 11a_100000749238_100015343762 [1,0,0,0,0,0|2,0,1]=4 594 B8R0.7 CSCCCNC(=O)C 1626a_100000749238_100015343762 [1,0,0,0,0,0|2,0,1]=4 595 B8R0.7 CSCCCNC(=O)C 240690a_100000749238_100015343762 [1,0,0,0,0,0|2,0,1]=4 596 B8R0.7 CSCCCNC(=O)C 527a_100000749238_100103153847 [1,0,0,0,0,0|2,0,1]=4 597 B8R0.7 CSCCCOC(=O)C 62a_100000042594_200000210301 [1,0,0,0,0,0|1,0,1]=3 598 B8R0.7 CSCCCOC(=O)C 62a_200000210301_100000042594 [1,0,0,0,0,0|1,0,1]=3 599 B8R0.7 CSCCCOC(=S)C 62a_200000210301_200135323944 [1,0,0,0,0,0|1,1,1]=4 600 B8R0.7 CSCCCOC(=S)C 62a_200135323944_200000210301 [1,0,0,0,0,0|1,1,1]=4 601 B8R0.7 CSCCCSC(=O)C 62a_100000038929_200000210301 [1,0,0,0,0,0|1,1,1]=4 602 B8R0.7 CSCCCSC(=O)C 62a_200000210301_100000038929 [1,0,0,0,0,0|1,1,1]=4 603 B8R0.7 CSCOCCC(=O)C 34a_100000759926_100011218213 [1,0,0,0,0,0|2,0,1]=4 604 B8R0.7 CSCSCCC(=O)C 62a_100000053229_100011218213 [1,0,0,0,0,0|2,0,1]=4 605 B8R0.7 CSCSCCC(=O)C 62a_100011218213_100000053229 [1,0,0,0,0,0|2,0,1]=4 606 B8R0.7 CSCSCOC(=O)C 62a_100000076356_100011218213 [1,0,0,0,0,0|2,0,1]=4 607 B8R0.7 CSCSCOC(=O)C 62a_100011218213_100000076356 [1,0,0,0,0,0|2,0,1]=4 608 B8R0.7 NC(=O)OCCOCF 7a_100000766696_100015361967 [1,0,0,0,0,0|3,0,0]=4 609 B8R0.7 NC(=O)OCCSCF 62a_100015361967_200011214921 [1,0,0,0,0,0|3,0,0]=4 610 B8R0.7 NC(=O)OCCSCF 62a_200011214921_100015361967 [1,0,0,0,0,0|3,0,0]=4 611 B8R0.7 [13CH3]C(=O)CCCCCO 1458a_100102619762_200025704644 [1,0,0,0,0,0|1,0,2]=4 612 B8R0.7 [13CH3]C(=O)CCOCCO 1458a_100011229844_200025704644 [1,0,0,0,0,0|2,0,1]=4 613 B10R0.3 C#CCC(=O)CCOC(=O)C 1458a_100011220946_100009814007 [0,1,0,0,0,0|0,0,3]=4 614 B10R0.3 C/C=C/C(C)OCOC(=O)C 34a_200102604097_100009813279 [0,1,0,0,0,0|1,0,2]=4 615 B10R0.3 C=CCC(=O)CCOC(=O)C 1458a_100000210193_100009814007 [0,1,0,0,0,0|0,0,3]=4 616 B10R0.3 CC#CC(=O)CCCC(=O)C 1458a_100000763181_100011215641 [0,1,0,0,0,0|1,0,2]=4 617 B10R0.3 CC#CC(=O)CCNC(=O)C 1458a_100000763181_100000189650 [0,1,0,0,0,0|1,0,2]=4 618 B10R0.3 CC#CC(=O)CCOC(=O)C 1458a_100000763181_100009814007 [0,1,0,0,0,0|0,0,2]=3 619 B10R0.3 CC#CC(=O)CCOC(=O)N 1458a_100000763181_200011214921 [0,1,0,0,0,0|1,0,2]=4 620 B10R0.3 CC(=O)CCCC(=O)C=CBr 1458a_100016273825_100011215641 [0,1,0,0,0,0|2,0,1]=4 621 B10R0.3 CC(=O)CCCC(=O)C=CCl 1458a_200016279998_100011215641 [0,1,0,0,0,0|2,0,1]=4 622 B10R0.3 CC(=O)CCCC(=O)C=CI 1458a_100016256311_100011215641 [0,1,0,0,0,0|2,0,1]=4 623 B10R0.3 CC(=O)CCCC(=O)CCO 1458a_100011216618_100011215641 [0,1,0,0,0,0|2,0,1]=4 624 B10R0.3 CC(=O)NCCC(=O)C=CBr 1458a_100016273825_100000189650 [0,1,0,0,0,0|2,0,1]=4 625 B10R0.3 CC(=O)NCCC(=O)C=CCl 1458a_200016279998_100000189650 [0,1,0,0,0,0|2,0,1]=4 626 B10R0.3 CC(=O)NCCC(=O)C=CI 1458a_100016256311_100000189650 [0,1,0,0,0,0|2,0,1]=4 627 B10R0.3 CC(=O)NCCC(=O)CCF 1458a_100000183196_100011217306 [0,1,0,0,0,0|2,0,1]=4 628 B10R0.3 CC(=O)NCCC(=O)CCO 1458a_100000183196_100000211926 [0,1,0,0,0,0|2,0,1]=4 629 B10R0.3 CC(=O)NCCC(=O)CCO 1458a_100011216618_100000189650 [0,1,0,0,0,0|2,0,1]=4 630 B10R0.3 CC(=O)OCCC(=O)C=CBr 1458a_100016273825_100009814007 [0,1,0,0,0,0|1,0,1]=3 631 B10R0.3 CC(=O)OCCC(=O)C=CCl 1458a_200016279998_100009814007 [0,1,0,0,0,0|1,0,1]=3 632 B10R0.3 CC(=O)OCCC(=O)C=CI 1458a_100016256311_100009814007 [0,1,0,0,0,0|1,0,1]=3 633 B10R0.3 CC(=O)OCCC(=O)CC#N 1458a_100051588842_100009814007 [0,1,0,0,0,0|1,0,2]=4 634 B10R0.3 CC(=O)OCCC(=O)CCO 1458a_100011216618_100009814007 [0,1,0,0,0,0|1,0,1]=3 635 B10R0.3 CC(=O)OCCN(C)CCO 269982a_100000210263_100009814007 [0,1,0,0,0,0|2,0,1]=4 636 B10R0.3 CC(=O)SCCC(=O)CCF 1458a_100000048949_100011217306 [0,1,0,0,0,0|1,1,1]=4 637 B10R0.3 CC(=O)SCCC(=O)CCO 1458a_100000048949_100000211926 [0,1,0,0,0,0|1,1,1]=4 638 B10R0.3 CC/C=C(\C)/C=NNC(=O)C 4a_100000189765_100020678925 [0,1,0,0,0,0|2,0,1]=4 639 B10R0.3 CC=CC(=O)CCC=C(C)C 1458a_100000210699_100011217483 [0,1,0,0,0,0|2,0,1]=4 640 B10R0.3 CC=CC(=O)CCCC(=O)C 1458a_100000210699_100011215641 [0,1,0,0,0,0|1,0,1]=3 641 B10R0.3 CC=CC(=O)CCCC(=O)N 1458a_100000210699_100102525003 [0,1,0,0,0,0|2,0,1]=4 642 B10R0.3 CC=CC(=O)CCNC(=O)C 1458a_100000210699_100000189650 [0,1,0,0,0,0|1,0,1]=3 643 B10R0.3 CC=CC(=O)CCNC(=O)N 1458a_100000210699_200000034859 [0,1,0,0,0,0|2,0,1]=4 644 B10R0.3 CC=CC(=O)CCOC(=O)C 1458a_100000210699_100009814007 [0,1,0,0,0,0|0,0,1]=2 645 B10R0.3 CC=CC(=O)CCOC(=O)N 1458a_100000210699_200011214921 [0,1,0,0,0,0|1,0,1]=3 646 B10R0.3 CC=CC(=O)CCOC(C)C 1458a_100000210699_100000211751 [0,1,0,0,0,0|1,0,2]=4 647 B10R0.3 CCCC(=O)CCC=C(C)C 1458a_100000211992_100011217483 [0,1,0,0,0,0|2,0,1]=4 648 B10R0.3 CCCC(=O)CCCC(=O)C 1458a_100000211992_100011215641 [0,1,0,0,0,0|1,0,1]=3 649 B10R0.3 CCCC(=O)CCCC(=O)N 1458a_100000211992_100102525003 [0,1,0,0,0,0|2,0,1]=4 650 B10R0.3 CCCC(=O)CCNC(=O)C 1458a_100000183196_100000210303 [0,1,0,0,0,0|1,0,1]=3 651 B10R0.3 CCCC(=O)CCNC(=O)C 1458a_100000211992_100000189650 [0,1,0,0,0,0|1,0,1]=3 652 B10R0.3 CCCC(=O)CCNC(=O)N 1458a_100000181464_100000210303 [0,1,0,0,0,0|2,0,1]=4 653 B10R0.3 CCCC(=O)CCNC(=O)N 1458a_100000211992_200000034859 [0,1,0,0,0,0|2,0,1]=4 654 B10R0.3 CCCC(=O)CCOC(=O)C 1458a_100000211992_100009814007 [0,1,0,0,0,0|0,0,1]=2 655 B10R0.3 CCCC(=O)CCOC(=O)N 1458a_100000211992_200011214921 [0,1,0,0,0,0|1,0,1]=3 656 B10R0.3 CCCC(=O)CCOC(C)C 1458a_100000211992_100000211751 [0,1,0,0,0,0|1,0,2]=4 657 B10R0.3 CCCC(=O)CCSC(=O)C 1458a_100000048949_100000210303 [0,1,0,0,0,0|0,1,1]=3 658 B10R0.3 CCCC(C)OCOC(=O)C 34a_100000764384_100009813279 [0,1,0,0,0,0|1,0,2]=4 659 B10R0.3 CCCC(C)SCOC(=O)C 62a_100000076356_100000766640 [0,1,0,0,0,0|1,0,2]=4 660 B10R0.3 CCCC(C)SCOC(=O)C 62a_100000766640_100000076356 [0,1,0,0,0,0|1,0,2]=4 661 B10R0.3 CCCN(C)CCCC(=O)C 269982a_100000747261_100011215641 [0,1,0,0,0,0|2,0,1]=4 662 B10R0.3 CCCN(C)CCNC(=O)C 2230a_100000747261_100000189650 [0,1,0,0,0,0|2,0,1]=4 663 B10R0.3 CCCN(C)CCNC(=O)C 269982a_100000747261_100000189650 [0,1,0,0,0,0|2,0,1]=4 664 B10R0.3 CCCN(C)CCOC(=O)C 269982a_100000747261_100009814007 [0,1,0,0,0,0|1,0,1]=3 665 B10R0.3 CCCN(C)CCOC(=O)N 269982a_100000747261_200011214921 [0,1,0,0,0,0|2,0,1]=4 666 B10R0.3 CCNC(=O)CCCC(=O)C 1458a_100000199580_200000210301 [0,1,0,0,0,0|2,0,0]=3 667 B10R0.3 CCNC(=O)CCCC(=O)[13CH3] 1458a_100000199580_200025704644 [0,1,0,0,0,0|2,0,0]=3 668 B10R0.3 CCNC(=O)CCNC(=O)C 11a_100015525214_100000183196 [0,1,0,0,0,0|2,0,0]=3 669 B10R0.3 CCNC(=O)CCNC(=O)C 11a_100025743525_100015343762 [0,1,0,0,0,0|2,0,0]=3 670 B10R0.3 CCNC(=O)CCNC(=O)C 1626a_100025743525_100015343762 [0,1,0,0,0,0|2,0,0]=3 671 B10R0.3 CCNC(=O)CCNC(=O)C 240690a_100015525214_100000183196 [0,1,0,0,0,0|2,0,0]=3 672 B10R0.3 CCNC(=O)CCNC(=O)C 240690a_100025743525_100015343762 [0,1,0,0,0,0|2,0,0]=3 673 B10R0.3 CCNC(=O)CCNC(=O)C 527a_100015525214_100000183196 [0,1,0,0,0,0|2,0,0]=3 674 B10R0.3 CCNC(=O)CCNC(=O)C 527a_100025743525_100103153847 [0,1,0,0,0,0|2,0,0]=3 675 B10R0.3 CCNC(=O)CCNC(=O)N 240690a_100015525214_100000181464 [0,1,0,0,0,0|3,0,0]=4 676 B10R0.3 CCNC(=O)CCNC(=O)N 527a_100015525214_100000181464 [0,1,0,0,0,0|3,0,0]=4 677 B10R0.3 CCNC(=O)CCSC(=O)C 240690a_100015525214_100000048949 [0,1,0,0,0,0|1,1,0]=3 678 B10R0.3 CCNC(=O)COCC(=O)C 34a_100000211253_100000183381 [0,1,0,0,0,0|3,0,0]=4 679 B10R0.3 CCNC(=S)SCCC(=O)C 1458a_200009862762_200000210301 [0,1,0,0,0,0|3,0,0]=4 680 B10R0.3 CCNC(=S)SCCC(=O)[13CH3] 1458a_200009862762_200025704644 [0,1,0,0,0,0|3,0,0]=4 681 B10R0.3 CCOC(=O)CCCC(=O)C 1458a_100000070787_100011215271 [0,1,0,0,0,0|2,0,0]=3 682 B10R0.3 CCOC(=O)CCCC(=O)C 1458a_100000210991_200000210301 [0,1,0,0,0,0|2,0,0]=3 683 B10R0.3 CCOC(=O)CCCC(=O)[13CH3] 1458a_100000210991_200025704644 [0,1,0,0,0,0|2,0,0]=3 684 B10R0.3 CCOC(=O)CCNC(=O)C 188690a_100000746078_100015343762 [0,1,0,0,0,0|2,0,0]=3 685 B10R0.3 CCOC(=O)CCOC(C)C 34a_100000212225_100000765890 [0,1,0,0,0,0|2,0,1]=4 686 B10R0.3 CCOC(=O)COCC(=O)C 34a_100000211253_100000188475 [0,1,0,0,0,0|3,0,0]=4 687 B10R0.3 CCOC(=O)NCCC(=O)C 1458a_100000070787_200011445536 [0,1,0,0,0,0|3,0,0]=4 688 B10R0.3 CNNC(=O)CCNC(=O)C 22a_100016993582_100000183196 [0,1,0,0,0,0|3,0,0]=4 689 B10R0.3 COCC(=O)CCCC(=O)C 1458a_100000210968_100011215641 [0,1,0,0,0,0|2,0,1]=4 690 B10R0.3 COCC(=O)CCNC(=O)C 1458a_100000210968_100000189650 [0,1,0,0,0,0|2,0,1]=4 691 B10R0.3 COCC(=O)CCOC(=O)C 1458a_100000210968_100009814007 [0,1,0,0,0,0|1,0,1]=3 692 B10R0.3 COCC(=O)CCOC(=O)N 1458a_100000210968_200011214921 [0,1,0,0,0,0|2,0,1]=4 693 B10R0.3 CSCC(=O)CCCC(=O)C 1458a_100000184570_100011215641 [0,1,0,0,0,0|2,0,1]=4 694 B10R0.3 CSCC(=O)CCNC(=O)C 1458a_100000184570_100000189650 [0,1,0,0,0,0|2,0,1]=4 695 B10R0.3 CSCC(=O)CCOC(=O)C 1458a_100000184570_100009814007 [0,1,0,0,0,0|1,0,1]=3 696 B10R0.3 CSCC(=O)CCOC(=O)N 1458a_100000184570_200011214921 [0,1,0,0,0,0|2,0,1]=4 697 B10R0.3 NC(=O)OCCC(=O)C=CBr 1458a_100016273825_200011214921 [0,1,0,0,0,0|2,0,1]=4 698 B10R0.3 NC(=O)OCCC(=O)C=CCl 1458a_200016279998_200011214921 [0,1,0,0,0,0|2,0,1]=4 699 B10R0.3 NC(=O)OCCC(=O)C=CI 1458a_100016256311_200011214921 [0,1,0,0,0,0|2,0,1]=4 700 B10R0.3 NC(=O)OCCC(=O)CCO 1458a_100011216618_200011214921 [0,1,0,0,0,0|2,0,1]=4 701 B10R0.4 C#CCCNCCOC(=O)C 34a_100000755551_100009814007 [0,1,0,0,0,0|1,0,2]=4 702 B10R0.4 C#CCCOCCOC(=O)C 34a_100011215631_100009814007 [0,1,0,0,0,0|1,0,2]=4 703 B10R0.4 C#CCCSCCOC(=O)C 62a_100000688953_100009814007 [0,1,0,0,0,0|1,0,2]=4 704 B10R0.4 C#CCCSCCOC(=O)C 62a_100009814007_100000688953 [0,1,0,0,0,0|1,0,2]=4 705 B10R0.4 C#CCNCCCOC(=O)C 34a_100000212058_100000042594 [0,1,0,0,0,0|1,0,2]=4 706 B10R0.4 C#CCOCCCOC(=O)C 34a_100000210247_100000042594 [0,1,0,0,0,0|1,0,2]=4 707 B10R0.4 C#CCSCCCOC(=O)C 62a_100000038162_100000042594 [0,1,0,0,0,0|1,0,2]=4 708 B10R0.4 C/C=C/C=C/COCC(=O)N 34a_100016283227_100000187820 [0,1,0,0,0,0|1,0,2]=4 709 B10R0.4 C/C=C/C=C/COCC(=O)[O-] 34a_100016283227_100020667443 [0,1,0,0,0,0|1,0,2]=4 710 B10R0.4 C/C=C/CCOCOC(=O)C 34a_100016278192_100009813279 [0,1,0,0,0,0|0,0,2]=3 711 B10R0.4 C/C=C/COCCCC(=O)C 34a_100000759063_100102629194 [0,1,0,0,0,0|1,0,2]=4 712 B10R0.4 C/C=C/COCCCC(=O)C 34a_100016270725_100000685027 [0,1,0,0,0,0|1,0,2]=4 713 B10R0.4 C/C=C/COCCCC(=O)C 7a_100000759063_100102629194 [0,1,0,0,0,0|1,0,2]=4 714 B10R0.4 C/C=C/COCCNC(=O)C 34a_100000158858_100102629194 [0,1,0,0,0,0|1,0,2]=4 715 B10R0.4 C/C=C/COCCOC(=O)C 34a_100016270725_100009814007 [0,1,0,0,0,0|0,0,2]=3 716 B10R0.4 C/C=C/COCCOC(=O)N 34a_100016270725_200011214921 [0,1,0,0,0,0|1,0,2]=4 717 B10R0.4 C/C=C/COCCOC(=O)N 7a_100000766696_100102629194 [0,1,0,0,0,0|1,0,2]=4 718 B10R0.4 C/C=C/CSCCCC(=O)C 62a_100011215641_100102629194 [0,1,0,0,0,0|1,0,2]=4 719 B10R0.4 C/C=C/CSCCCC(=O)C 62a_100102629194_100011215641 [0,1,0,0,0,0|1,0,2]=4 720 B10R0.4 C/C=C/CSCCNC(=O)C 62a_100000189650_100102629194 [0,1,0,0,0,0|1,0,2]=4 721 B10R0.4 C/C=C/CSCCNC(=O)C 62a_100102629194_100000189650 [0,1,0,0,0,0|1,0,2]=4 722 B10R0.4 C/C=C/CSCCOC(=O)C 62a_100009814007_100102629194 [0,1,0,0,0,0|0,0,2]=3 723 B10R0.4 C/C=C/CSCCOC(=O)C 62a_100102629194_100009814007 [0,1,0,0,0,0|0,0,2]=3 724 B10R0.4 C/C=C/CSCCOC(=O)N 62a_100102629194_200011214921 [0,1,0,0,0,0|1,0,2]=4 725 B10R0.4 C/C=C/CSCCOC(=O)N 62a_200011214921_100102629194 [0,1,0,0,0,0|1,0,2]=4 726 B10R0.4 C=C(Br)CCOC/C=C\CC 34a_100009813270_100103147603 [0,1,0,0,0,0|2,0,1]=4 727 B10R0.4 C=C(C)CCOC/C=C\CC 34a_100000764851_100103147603 [0,1,0,0,0,0|2,0,0]=3 728 B10R0.4 C=C(C)CCOC/C=C\CC 34a_100016268518_100000730704 [0,1,0,0,0,0|2,0,0]=3 729 B10R0.4 C=C(C)CCSC/C=C\CC 62a_100000730704_100103147603 [0,1,0,0,0,0|2,0,0]=3 730 B10R0.4 C=C(C)CCSC/C=C\CC 62a_100103147603_100000730704 [0,1,0,0,0,0|2,0,0]=3 731 B10R0.4 C=C(C)COC/C=C/C=C/C 34a_100016283227_100000748629 [0,1,0,0,0,0|1,0,2]=4 732 B10R0.4 C=C(C)COC/C=C/CCC 34a_100016278788_100000748629 [0,1,0,0,0,0|1,0,2]=4 733 B10R0.4 C=C(C)COC/C=C/CCC 7a_100016278788_100000748629 [0,1,0,0,0,0|1,0,2]=4 734 B10R0.4 C=C(C)COCC/C=C\CC 34a_100000210245_100015370543 [0,1,0,0,0,0|1,0,0]=2 735 B10R0.4 C=C(C)COCC/C=C\CC 34a_100016288707_100000748629 [0,1,0,0,0,0|1,0,0]=2 736 B10R0.4 C=C(C)COCC/C=C\CC 7a_100016288707_100000748629 [0,1,0,0,0,0|1,0,0]=2 737 B10R0.4 C=C(C)COCCC#CCC 34a_100000036655_100000748629 [0,1,0,0,0,0|1,0,2]=4 738 B10R0.4 C=C(C)COCCC#CCC 7a_100000036655_100000748629 [0,1,0,0,0,0|1,0,2]=4 739 B10R0.4 C=C(C)COCCC=C=CC 34a_100011020354_100000748629 [0,1,0,0,0,0|1,0,2]=4 740 B10R0.4 C=C(C)COCCCC=CC 34a_100020645299_100000748629 [0,1,0,0,0,0|1,0,2]=4 741 B10R0.4 C=C(C)COCCCCCC 34a_100000210245_100000210314 [0,1,0,0,0,0|1,0,2]=4 742 B10R0.4 C=C(C)COCCCCCC 34a_100000210259_100000748629 [0,1,0,0,0,0|1,0,2]=4 743 B10R0.4 C=C(C)COCCCCCC 7a_100000210259_100000748629 [0,1,0,0,0,0|1,0,2]=4 744 B10R0.4 C=C(C)COCCCOCC 34a_100000210245_100012232248 [0,1,0,0,0,0|2,0,1]=4 745 B10R0.4 C=C(C)COCCCOCC 34a_100000757476_100000748629 [0,1,0,0,0,0|2,0,1]=4 746 B10R0.4 C=C(C)COCCCOCC 7a_100000757476_100000748629 [0,1,0,0,0,0|2,0,1]=4 747 B10R0.4 C=C(C)COCCCSCC 34a_100011216438_100000748629 [0,1,0,0,0,0|2,0,1]=4 748 B10R0.4 C=C(C)COCCCSCC 7a_100011216438_100000748629 [0,1,0,0,0,0|2,0,1]=4 749 B10R0.4 C=C(C)COCCOCCC 34a_100000210245_100011215938 [0,1,0,0,0,0|2,0,1]=4 750 B10R0.4 C=C(C)COCCOCCC 34a_100000752267_100000748629 [0,1,0,0,0,0|2,0,1]=4 751 B10R0.4 C=C(C)COCCOCCC 7a_100000752267_100000748629 [0,1,0,0,0,0|2,0,1]=4 752 B10R0.4 C=C(C)COCCSCCC 34a_200000230433_100000748629 [0,1,0,0,0,0|2,0,1]=4 753 B10R0.4 C=C(C)COCCSCCC 7a_200000230433_100000748629 [0,1,0,0,0,0|2,0,1]=4 754 B10R0.4 C=C(C)CSCC/C=C\CC 62a_100000748629_100015370543 [0,1,0,0,0,0|1,1,0]=3 755 B10R0.4 C=C(C)CSCC/C=C\CC 62a_100015370543_100000211660 [0,1,0,0,0,0|1,1,0]=3 756 B10R0.4 C=C(F)COCC/C=C\CC 34a_100016288707_100009893438 [0,1,0,0,0,0|1,0,1]=3 757 B10R0.4 C=C(F)COCC/C=C\CC 34a_200010262243_100015370543 [0,1,0,0,0,0|1,0,1]=3 758 B10R0.4 C=C(F)COCC/C=C\CC 7a_100016288707_100000042424 [0,1,0,0,0,0|1,0,1]=3 759 B10R0.4 C=C(F)CSCC/C=C\CC 62a_100000042424_100015370543 [0,1,0,0,0,0|1,1,1]=4 760 B10R0.4 C=C(F)CSCC/C=C\CC 62a_100015370543_100000042424 [0,1,0,0,0,0|1,1,1]=4 761 B10R0.4 C=CCCOCCOC(=O)C 34a_100011205117_100009814007 [0,1,0,0,0,0|1,0,2]=4 762 B10R0.4 C=CCCSCCOC(=O)C 62a_100000754431_100009814007 [0,1,0,0,0,0|1,0,2]=4 763 B10R0.4 C=CCCSCCOC(=O)C 62a_100009814007_100000754431 [0,1,0,0,0,0|1,0,2]=4 764 B10R0.4 C=CCOCCCOC(=O)C 34a_200000210373_100000042594 [0,1,0,0,0,0|1,0,2]=4 765 B10R0.4 C=CCSCCCOC(=O)C 62a_100000042594_100000210623 [0,1,0,0,0,0|1,0,2]=4 766 B10R0.4 C=CCSCCCOC(=O)C 62a_100000210623_100000042594 [0,1,0,0,0,0|1,0,2]=4 767 B10R0.4 CC#CCCOCOC(=O)C 34a_100000750427_100009813279 [0,1,0,0,0,0|0,0,3]=4 768 B10R0.4 CC#CCNCCOC(=O)C 34a_100000685387_100009814007 [0,1,0,0,0,0|0,0,3]=4 769 B10R0.4 CC#CCOCCOC(=O)C 34a_100000761923_100009814007 [0,1,0,0,0,0|0,0,3]=4 770 B10R0.4 CC#CCSCCOC(=O)C 62a_100000748600_100009814007 [0,1,0,0,0,0|0,0,3]=4 771 B10R0.4 CC#CCSCCOC(=O)C 62a_100009814007_100000748600 [0,1,0,0,0,0|0,0,3]=4 772 B10R0.4 CC(=O)CCCCCCCO 1458a_100000070787_100000760002 [0,1,0,0,0,0|1,0,2]=4 773 B10R0.4 CC(=O)CCCCCCCO 1458a_100011219782_200000210301 [0,1,0,0,0,0|1,0,2]=4 774 B10R0.4 CC(=O)CCCCNCCF 34a_100000724931_100009817362 [0,1,0,0,0,0|2,0,1]=4 775 B10R0.4 CC(=O)CCCCNCCO 34a_100016990907_100009817362 [0,1,0,0,0,0|2,0,1]=4 776 B10R0.4 CC(=O)CCCCOCCBr 34a_100000211926_100009817362 [0,1,0,0,0,0|2,0,1]=4 777 B10R0.4 CC(=O)CCCCOCCN 34a_100000210304_100009817362 [0,1,0,0,0,0|2,0,1]=4 778 B10R0.4 CC(=O)CCCCSCCF 62a_100000735457_100011217306 [0,1,0,0,0,0|2,0,1]=4 779 B10R0.4 CC(=O)CCCCSCCF 62a_100011217306_100000735457 [0,1,0,0,0,0|2,0,1]=4 780 B10R0.4 CC(=O)CCCCSCCO 62a_100000211926_100000735457 [0,1,0,0,0,0|2,0,1]=4 781 B10R0.4 CC(=O)CCCCSCCO 62a_100000735457_100000211926 [0,1,0,0,0,0|2,0,1]=4 782 B10R0.4 CC(=O)CCCNCCCF 34a_100015189416_100000685027 [0,1,0,0,0,0|2,0,1]=4 783 B10R0.4 CC(=O)CCCOCCCBr 34a_100011217188_100000685027 [0,1,0,0,0,0|2,0,1]=4 784 B10R0.4 CC(=O)CCCOCCCCl 34a_100000230001_100000685027 [0,1,0,0,0,0|2,0,1]=4 785 B10R0.4 CC(=O)CCCOCCCF 34a_100000759063_100011934791 [0,1,0,0,0,0|2,0,1]=4 786 B10R0.4 CC(=O)CCCOCCCF 34a_100000759539_100000685027 [0,1,0,0,0,0|2,0,1]=4 787 B10R0.4 CC(=O)CCCOCCCF 7a_100000759063_100011934791 [0,1,0,0,0,0|2,0,1]=4 788 B10R0.4 CC(=O)CCCOCCCN 34a_100000182051_100000685027 [0,1,0,0,0,0|2,0,1]=4 789 B10R0.4 CC(=O)CCCOCCCO 34a_100000759063_100000230001 [0,1,0,0,0,0|2,0,1]=4 790 B10R0.4 CC(=O)CCCOCCCO 7a_100000759063_100011215043 [0,1,0,0,0,0|2,0,1]=4 791 B10R0.4 CC(=O)CCCSCCCF 62a_100011215641_100011934791 [0,1,0,0,0,0|2,0,1]=4 792 B10R0.4 CC(=O)CCCSCCCF 62a_100011934791_100011215641 [0,1,0,0,0,0|2,0,1]=4 793 B10R0.4 CC(=O)CCCSCCCO 62a_100011215043_100011215641 [0,1,0,0,0,0|2,0,1]=4 794 B10R0.4 CC(=O)CCCSCCCO 62a_100011215641_100011215043 [0,1,0,0,0,0|2,0,1]=4 795 B10R0.4 CC(=O)COCCCCCF 34a_100000211253_100000729378 [0,1,0,0,0,0|1,0,2]=4 796 B10R0.4 CC(=O)COCCCCCO 34a_100000211253_100000746330 [0,1,0,0,0,0|1,0,2]=4 797 B10R0.4 CC(=O)COCCOCCO 1458a_106645077154_200000210301 [0,1,0,0,0,0|2,0,1]=4 798 B10R0.4 CC(=O)COCCOCCO 34a_100000211253_100000692535 [0,1,0,0,0,0|2,0,1]=4 799 B10R0.4 CC(=O)NCCCCCCO 240690a_100000686447_100015343762 [0,1,0,0,0,0|1,0,2]=4 800 B10R0.4 CC(=O)NCCCCCCO 527a_100000686447_100103153847 [0,1,0,0,0,0|1,0,2]=4 801 B10R0.4 CC(=O)NCCCCCN[13CH3] 2230a_200012022750_200025704644 [0,1,0,0,0,0|1,0,2]=4 802 B10R0.4 CC(=O)NCCCCCN[13CH3] 34a_200012022750_200025704644 [0,1,0,0,0,0|1,0,2]=4 803 B10R0.4 CC(=O)NCCCNCCF 34a_100000736810_100011217306 [0,1,0,0,0,0|2,0,1]=4 804 B10R0.4 CC(=O)NCCCNCCO 34a_100000736810_100000211926 [0,1,0,0,0,0|2,0,1]=4 805 B10R0.4 CC(=O)NCCCOCCF 34a_100000752032_100011217306 [0,1,0,0,0,0|2,0,1]=4 806 B10R0.4 CC(=O)NCCCOCCO 34a_100000752032_100000211926 [0,1,0,0,0,0|2,0,1]=4 807 B10R0.4 CC(=O)NCCNCCCF 2230a_100000209853_100011934791 [0,1,0,0,0,0|2,0,1]=4 808 B10R0.4 CC(=O)NCCNCCCF 2230a_100015189416_100000189650 [0,1,0,0,0,0|2,0,1]=4 809 B10R0.4 CC(=O)NCCNCCCO 2230a_100000209853_100000230001 [0,1,0,0,0,0|2,0,1]=4 810 B10R0.4 CC(=O)NCCOCCCF 34a_100000158858_100011934791 [0,1,0,0,0,0|2,0,1]=4 811 B10R0.4 CC(=O)NCCOCCCO 34a_100000158858_100000230001 [0,1,0,0,0,0|2,0,1]=4 812 B10R0.4 CC(=O)NCCSCCCF 62a_100000189650_100011934791 [0,1,0,0,0,0|2,0,1]=4 813 B10R0.4 CC(=O)NCCSCCCF 62a_100011934791_100000189650 [0,1,0,0,0,0|2,0,1]=4 814 B10R0.4 CC(=O)NCCSCCCO 62a_100000189650_100011215043 [0,1,0,0,0,0|2,0,1]=4 815 B10R0.4 CC(=O)NCCSCCCO 62a_100011215043_100000189650 [0,1,0,0,0,0|2,0,1]=4 816 B10R0.4 CC(=O)OCCCCCS[13CH3] 62a_100000033007_200025704644 [0,1,0,0,0,0|0,0,2]=3 817 B10R0.4 CC(=O)OCCCCCS[13CH3] 62a_200025704644_100000033007 [0,1,0,0,0,0|0,0,2]=3 818 B10R0.4 CC(=O)OCCCCOCF 34a_100000073216_100015361967 [0,1,0,0,0,0|1,0,2]=4 819 B10R0.4 CC(=O)OCCCCOCF 7a_100000073216_100015361967 [0,1,0,0,0,0|1,0,2]=4 820 B10R0.4 CC(=O)OCCCCSCF 62a_100000033659_100015361967 [0,1,0,0,0,0|1,0,2]=4 821 B10R0.4 CC(=O)OCCCCSCF 62a_100015361967_100000033659 [0,1,0,0,0,0|1,0,2]=4 822 B10R0.4 CC(=O)OCCCNCCF 34a_100000724931_100000042594 [0,1,0,0,0,0|1,0,1]=3 823 B10R0.4 CC(=O)OCCCNCCO 34a_100016990907_100000042594 [0,1,0,0,0,0|1,0,1]=3 824 B10R0.4 CC(=O)OCCCOCCBr 34a_100000211926_100000042594 [0,1,0,0,0,0|1,0,1]=3 825 B10R0.4 CC(=O)OCCCOCCN 34a_100000210304_100000042594 [0,1,0,0,0,0|1,0,1]=3 826 B10R0.4 CC(=O)OCCCSCC#N 62a_100000042594_100011215382 [0,1,0,0,0,0|1,0,2]=4 827 B10R0.4 CC(=O)OCCCSCC#N 62a_100011215382_100000042594 [0,1,0,0,0,0|1,0,2]=4 828 B10R0.4 CC(=O)OCCCSCC=O 62a_100000042594_200015260668 [0,1,0,0,0,0|1,0,2]=4 829 B10R0.4 CC(=O)OCCCSCC=O 62a_200015260668_100000042594 [0,1,0,0,0,0|1,0,2]=4 830 B10R0.4 CC(=O)OCCCSCCF 62a_100000042594_100011217306 [0,1,0,0,0,0|1,0,1]=3 831 B10R0.4 CC(=O)OCCCSCCF 62a_100011217306_100000042594 [0,1,0,0,0,0|1,0,1]=3 832 B10R0.4 CC(=O)OCCCSCCO 62a_100000042594_100000211926 [0,1,0,0,0,0|1,0,1]=3 833 B10R0.4 CC(=O)OCCCSCCO 62a_100000211926_100000042594 [0,1,0,0,0,0|1,0,1]=3 834 B10R0.4 CC(=O)OCCNCCCF 34a_100015189416_100009814007 [0,1,0,0,0,0|1,0,1]=3 835 B10R0.4 CC(=O)OCCOCCCBr 34a_100011217188_100009814007 [0,1,0,0,0,0|1,0,1]=3 836 B10R0.4 CC(=O)OCCOCCCCl 34a_100000230001_100009814007 [0,1,0,0,0,0|1,0,1]=3 837 B10R0.4 CC(=O)OCCOCCCF 34a_100000759539_100009814007 [0,1,0,0,0,0|1,0,1]=3 838 B10R0.4 CC(=O)OCCOCCCN 34a_100000182051_100009814007 [0,1,0,0,0,0|1,0,1]=3 839 B10R0.4 CC(=O)OCCOCCON 34a_100000700252_100009814007 [0,1,0,0,0,0|2,0,1]=4 840 B10R0.4 CC(=O)OCCOCCS[13CH3] 62a_200000083610_200025704644 [0,1,0,0,0,0|1,0,1]=3 841 B10R0.4 CC(=O)OCCOCCS[13CH3] 62a_200025704644_200000083610 [0,1,0,0,0,0|1,0,1]=3 842 B10R0.4 CC(=O)OCCOCSCF 62a_100000076355_100015361967 [0,1,0,0,0,0|2,0,1]=4 843 B10R0.4 CC(=O)OCCOCSCF 62a_100015361967_100000076355 [0,1,0,0,0,0|2,0,1]=4 844 B10R0.4 CC(=O)OCCSCCC#N 62a_100009814007_100011215226 [0,1,0,0,0,0|1,0,2]=4 845 B10R0.4 CC(=O)OCCSCCC#N 62a_100011215226_100009814007 [0,1,0,0,0,0|1,0,2]=4 846 B10R0.4 CC(=O)OCCSCCCF 62a_100009814007_100011934791 [0,1,0,0,0,0|1,0,1]=3 847 B10R0.4 CC(=O)OCCSCCCF 62a_100011934791_100009814007 [0,1,0,0,0,0|1,0,1]=3 848 B10R0.4 CC(=O)OCCSCCCO 62a_100009814007_100011215043 [0,1,0,0,0,0|1,0,1]=3 849 B10R0.4 CC(=O)OCCSCCCO 62a_100011215043_100009814007 [0,1,0,0,0,0|1,0,1]=3 850 B10R0.4 CC(=O)OCNCCCCO 34a_100000750430_100009813279 [0,1,0,0,0,0|1,0,2]=4 851 B10R0.4 CC(=O)OCOCC#CCCl 34a_200000047223_100009813279 [0,1,0,0,0,0|1,0,2]=4 852 B10R0.4 CC(=O)OCOCCCCBr 34a_100011216708_100009813279 [0,1,0,0,0,0|1,0,2]=4 853 B10R0.4 CC(=O)OCOCCCCCl 34a_100000210776_100009813279 [0,1,0,0,0,0|1,0,2]=4 854 B10R0.4 CC(=O)OCOCCCCF 34a_100011995726_100009813279 [0,1,0,0,0,0|1,0,2]=4 855 B10R0.4 CC(=O)OCOCCCCI 34a_200012148704_100009813279 [0,1,0,0,0,0|1,0,2]=4 856 B10R0.4 CC(=O)OCOCCCCN 34a_100000750430_100009813279 [0,1,0,0,0,0|1,0,2]=4 857 B10R0.4 CC(=O)OCSCC#CCO 62a_100000076356_200000047223 [0,1,0,0,0,0|1,0,2]=4 858 B10R0.4 CC(=O)OCSCC#CCO 62a_200000047223_100000076356 [0,1,0,0,0,0|1,0,2]=4 859 B10R0.4 CC(=O)OCSCCCCF 62a_100000076356_100000729493 [0,1,0,0,0,0|1,0,2]=4 860 B10R0.4 CC(=O)OCSCCCCF 62a_100000729493_100000076356 [0,1,0,0,0,0|1,0,2]=4 861 B10R0.4 CC(=O)OCSCCCCO 62a_100000076356_100000210776 [0,1,0,0,0,0|1,0,2]=4 862 B10R0.4 CC(=O)OCSCCCCO 62a_100000210776_100000076356 [0,1,0,0,0,0|1,0,2]=4 863 B10R0.4 CC(=O)SCCCNCCF 34a_100000724931_100000038929 [0,1,0,0,0,0|1,1,1]=4 864 B10R0.4 CC(=O)SCCCNCCO 2230a_100016997473_100000038929 [0,1,0,0,0,0|1,1,1]=4 865 B10R0.4 CC(=O)SCCCNCCO 34a_100016990907_100000038929 [0,1,0,0,0,0|1,1,1]=4 866 B10R0.4 CC(=O)SCCCOCCBr 34a_100000211926_100000038929 [0,1,0,0,0,0|1,1,1]=4 867 B10R0.4 CC(=O)SCCCOCCN 34a_100000210304_100000038929 [0,1,0,0,0,0|1,1,1]=4 868 B10R0.4 CC(=O)SCCCSCCF 62a_100000038929_100011217306 [0,1,0,0,0,0|1,1,1]=4 869 B10R0.4 CC(=O)SCCCSCCF 62a_100011217306_100000038929 [0,1,0,0,0,0|1,1,1]=4 870 B10R0.4 CC(=O)SCCCSCCO 62a_100000038929_100000211926 [0,1,0,0,0,0|1,1,1]=4 871 B10R0.4 CC(=O)SCCCSCCO 62a_100000211926_100000038929 [0,1,0,0,0,0|1,1,1]=4 872 B10R0.4 CC(=S)OCCCNCCF 34a_100000724931_200135323944 [0,1,0,0,0,0|1,1,1]=4 873 B10R0.4 CC(=S)OCCCNCCO 2230a_100016997473_200135323944 [0,1,0,0,0,0|1,1,1]=4 874 B10R0.4 CC(=S)OCCCNCCO 34a_100016990907_200135323944 [0,1,0,0,0,0|1,1,1]=4 875 B10R0.4 CC(=S)OCCCOCCBr 34a_100000211926_200135323944 [0,1,0,0,0,0|1,1,1]=4 876 B10R0.4 CC(=S)OCCCOCCN 34a_100000210304_200135323944 [0,1,0,0,0,0|1,1,1]=4 877 B10R0.4 CC(=S)OCCCSCCF 62a_100011217306_200135323944 [0,1,0,0,0,0|1,1,1]=4 878 B10R0.4 CC(=S)OCCCSCCF 62a_200135323944_100011217306 [0,1,0,0,0,0|1,1,1]=4 879 B10R0.4 CC(=S)OCCCSCCO 62a_100000211926_200135323944 [0,1,0,0,0,0|1,1,1]=4 880 B10R0.4 CC(=S)OCCCSCCO 62a_200135323944_100000211926 [0,1,0,0,0,0|1,1,1]=4 881 B10R0.4 CC/C=C/CCCOC(C)C 34a_100016287902_100000210206 [0,1,0,0,0,0|1,0,1]=3 882 B10R0.4 CC/C=C/CCCOC(C)C 7a_100016287902_100000210206 [0,1,0,0,0,0|1,0,1]=3 883 B10R0.4 CC/C=C\CCNCC(=O)N 2230a_100000711301_100015370543 [0,1,0,0,0,0|2,0,0]=3 884 B10R0.4 CC/C=C\CCNCC(=O)O 269956a_100016091260_100015370543 [0,1,0,0,0,0|2,0,0]=3 885 B10R0.4 CC/C=C\CCNCC(C)C 2230a_100000210953_100015370543 [0,1,0,0,0,0|2,0,1]=4 886 B10R0.4 CC/C=C\CCNCC(C)C 34a_100000210953_100015370543 [0,1,0,0,0,0|2,0,1]=4 887 B10R0.4 CC/C=C\CCNCC(C)O 2230a_100000210904_100015370543 [0,1,0,0,0,0|1,0,2]=4 888 B10R0.4 CC/C=C\CCNCC(C)O 34a_100000210904_100015370543 [0,1,0,0,0,0|1,0,2]=4 889 B10R0.4 CC/C=C\CCOCC(=O)C 34a_100000211253_100015370543 [0,1,0,0,0,0|0,0,0]=1 890 B10R0.4 CC/C=C\CCOCC(=O)N 34a_100016288707_100000187820 [0,1,0,0,0,0|1,0,0]=2 891 B10R0.4 CC/C=C\CCOCC(=O)N 7a_100016288707_100000187820 [0,1,0,0,0,0|1,0,0]=2 892 B10R0.4 CC/C=C\CCOCC(=O)[O-] 34a_100016288707_100020667443 [0,1,0,0,0,0|1,0,0]=2 893 B10R0.4 CC/C=C\CCOCC(C)Br 34a_100012180447_100015370543 [0,1,0,0,0,0|1,0,1]=3 894 B10R0.4 CC/C=C\CCOCC(C)C 34a_100000210257_100015370543 [0,1,0,0,0,0|1,0,1]=3 895 B10R0.4 CC/C=C\CCOCC(C)C 34a_100016288707_100000210624 [0,1,0,0,0,0|1,0,1]=3 896 B10R0.4 CC/C=C\CCOCC(C)C 7a_100016288707_100000210760 [0,1,0,0,0,0|1,0,1]=3 897 B10R0.4 CC/C=C\CCOCC(C)F 34a_100015925927_100015370543 [0,1,0,0,0,0|1,0,1]=3 898 B10R0.4 CC/C=C\CCOCC(C)O 34a_100016288707_100011218427 [0,1,0,0,0,0|0,0,2]=3 899 B10R0.4 CC/C=C\CCOCC(C)O 7a_100016288707_100011218427 [0,1,0,0,0,0|0,0,2]=3 900 B10R0.4 CC/C=C\CCOCC(F)F 34a_100000743014_100015370543 [0,1,0,0,0,0|2,0,1]=4 901 B10R0.4 CC/C=C\CCOCC(F)F 34a_100016288707_100011934356 [0,1,0,0,0,0|2,0,1]=4 902 B10R0.4 CC/C=C\CCOCC(F)F 7a_100016288707_100011934356 [0,1,0,0,0,0|2,0,1]=4 903 B10R0.4 CC/C=C\CCOC[C@@H](C)Cl 34a_100016084084_100015370543 [0,1,0,0,0,0|1,0,1]=3 904 B10R0.4 CC/C=C\CCOC[C@@H](C)N 34a_100000737577_100015370543 [0,1,0,0,0,0|1,0,1]=3 905 B10R0.4 CC/C=C\CCOC[C@@H](C)O 34a_100016288707_100009817552 [0,1,0,0,0,0|0,0,2]=3 906 B10R0.4 CC/C=C\CCOC[C@@H](C)O 7a_100016288707_100009817552 [0,1,0,0,0,0|0,0,2]=3 907 B10R0.4 CC/C=C\CCOC[N+](=O)[O-] 34a_100016288707_100000761209 [0,1,0,0,0,0|2,0,0]=3 908 B10R0.4 CC/C=C\CCSCC(=O)N 62a_100000747473_100015370543 [0,1,0,0,0,0|1,1,0]=3 909 B10R0.4 CC/C=C\CCSCC(=O)N 62a_100015370543_100000747473 [0,1,0,0,0,0|1,1,0]=3 910 B10R0.4 CC/C=C\CCSCC(=O)[O-] 62a_100015370543_100020667443 [0,1,0,0,0,0|1,1,0]=3 911 B10R0.4 CC/C=C\CCSCC(=O)[O-] 62a_100020667443_100015370543 [0,1,0,0,0,0|1,1,0]=3 912 B10R0.4 CC/C=C\CCSCC(C)C 62a_100000210624_100015370543 [0,1,0,0,0,0|1,1,1]=4 913 B10R0.4 CC/C=C\CCSCC(C)C 62a_100015370543_100000210760 [0,1,0,0,0,0|1,1,1]=4 914 B10R0.4 CC/C=C\CCSCC(C)O 62a_100011218427_100015370543 [0,1,0,0,0,0|0,1,2]=4 915 B10R0.4 CC/C=C\CCSCC(C)O 62a_100015370543_100011218427 [0,1,0,0,0,0|0,1,2]=4 916 B10R0.4 CC/C=C\CCSC[C@@H](C)O 62a_100009817552_100015370543 [0,1,0,0,0,0|0,1,2]=4 917 B10R0.4 CC/C=C\CCSC[C@@H](C)O 62a_100015370543_100009817552 [0,1,0,0,0,0|0,1,2]=4 918 B10R0.4 CC/C=C\CCSC[N+](=O)[O-] 62a_100015370543_100000761209 [0,1,0,0,0,0|2,1,0]=4 919 B10R0.4 CC/C=C\CNCC=C(C)C 34a_100000718196_100103147603 [0,1,0,0,0,0|2,0,0]=3 920 B10R0.4 CC/C=C\CNCCC(C)O 2230a_200000755665_100103147603 [0,1,0,0,0,0|1,0,2]=4 921 B10R0.4 CC/C=C\CNOCC(=O)O 269956a_100000106656_100103147603 [0,1,0,0,0,0|2,0,0]=3 922 B10R0.4 CC/C=C\COCC=C(C)C 34a_100000753907_100103147603 [0,1,0,0,0,0|2,0,0]=3 923 B10R0.4 CC/C=C\COCC=C(C)C 34a_100016268518_100000761012 [0,1,0,0,0,0|2,0,0]=3 924 B10R0.4 CC/C=C\COCCC(=O)C 34a_100000759926_100103147603 [0,1,0,0,0,0|1,0,0]=2 925 B10R0.4 CC/C=C\COCCC(=O)C 7a_100000759926_100103147603 [0,1,0,0,0,0|1,0,0]=2 926 B10R0.4 CC/C=C\COCCC(=O)N 34a_100000757172_100103147603 [0,1,0,0,0,0|2,0,0]=3 927 B10R0.4 CC/C=C\COCCC(=O)N 34a_100016268518_100000731001 [0,1,0,0,0,0|2,0,0]=3 928 B10R0.4 CC/C=C\COCCC(=O)N 7a_100000757172_100103147603 [0,1,0,0,0,0|2,0,0]=3 929 B10R0.4 CC/C=C\COCCC(C)Br 34a_100009893172_100103147603 [0,1,0,0,0,0|2,0,1]=4 930 B10R0.4 CC/C=C\COCCC(C)C 34a_100000210254_100103147603 [0,1,0,0,0,0|2,0,1]=4 931 B10R0.4 CC/C=C\COCCC(C)C 34a_100016268518_100000210312 [0,1,0,0,0,0|2,0,1]=4 932 B10R0.4 CC/C=C\COCCC(C)C 7a_100000210254_100103147603 [0,1,0,0,0,0|2,0,1]=4 933 B10R0.4 CC/C=C\COCCC(C)O 34a_100016268518_100012276601 [0,1,0,0,0,0|1,0,2]=4 934 B10R0.4 CC/C=C\COCC[C@@H](C)N 34a_100000706166_100103147603 [0,1,0,0,0,0|2,0,1]=4 935 B10R0.4 CC/C=C\COCOC(=O)C 34a_100016268518_100009813279 [0,1,0,0,0,0|0,0,0]=1 936 B10R0.4 CC/C=C\COCOC(C)C 34a_100016268518_100000709892 [0,1,0,0,0,0|1,0,1]=3 937 B10R0.4 CC/C=C\CSCC=C(C)C 62a_100000761012_100103147603 [0,1,0,0,0,0|2,0,0]=3 938 B10R0.4 CC/C=C\CSCC=C(C)C 62a_100103147603_100000761012 [0,1,0,0,0,0|2,0,0]=3 939 B10R0.4 CC/C=C\CSCCC(=O)C 62a_100000053229_100103147603 [0,1,0,0,0,0|1,0,0]=2 940 B10R0.4 CC/C=C\CSCCC(=O)C 62a_100103147603_100000053229 [0,1,0,0,0,0|1,0,0]=2 941 B10R0.4 CC/C=C\CSCCC(=O)N 62a_100000744528_100103147603 [0,1,0,0,0,0|2,0,0]=3 942 B10R0.4 CC/C=C\CSCCC(=O)N 62a_100103147603_100000744528 [0,1,0,0,0,0|2,0,0]=3 943 B10R0.4 CC/C=C\CSCCC(C)C 62a_100000210312_100103147603 [0,1,0,0,0,0|2,0,1]=4 944 B10R0.4 CC/C=C\CSCCC(C)C 62a_100103147603_100000210312 [0,1,0,0,0,0|2,0,1]=4 945 B10R0.4 CC/C=C\CSCCC(C)O 62a_100012276601_100103147603 [0,1,0,0,0,0|1,0,2]=4 946 B10R0.4 CC/C=C\CSCCC(C)O 62a_100103147603_100012276601 [0,1,0,0,0,0|1,0,2]=4 947 B10R0.4 CC/C=C\CSCCN(C)C 62a_100103147603_100000755713 [0,1,0,0,0,0|3,0,0]=4 948 B10R0.4 CC/C=C\CSCOC(=O)C 62a_100000076356_100103147603 [0,1,0,0,0,0|0,0,0]=1 949 B10R0.4 CC/C=C\CSCOC(=O)C 62a_100103147603_100000076356 [0,1,0,0,0,0|0,0,0]=1 950 B10R0.4 CC/C=C\CSCOC(C)C 62a_100000709892_100103147603 [0,1,0,0,0,0|1,0,1]=3 951 B10R0.4 CC/C=C\CSCOC(C)C 62a_100103147603_100000709892 [0,1,0,0,0,0|1,0,1]=3 952 B10R0.4 CC=C=CCCOCC(=O)N 34a_100011020354_100000187820 [0,1,0,0,0,0|1,0,2]=4 953 B10R0.4 CC=C=CCCOCC(=O)[O-] 34a_100011020354_100020667443 [0,1,0,0,0,0|1,0,2]=4 954 B10R0.4 CC=CCCCOCC(=O)N 34a_100020645299_100000187820 [0,1,0,0,0,0|1,0,2]=4 955 B10R0.4 CC=CCCCOCC(=O)[O-] 34a_100020645299_100020667443 [0,1,0,0,0,0|1,0,2]=4 956 B10R0.4 CC=CCNCCNC(=O)C 2230a_100000209853_100000070051 [0,1,0,0,0,0|1,0,2]=4 957 B10R0.4 CC=CCOCCCC(=O)C 34a_100000759063_100000070051 [0,1,0,0,0,0|1,0,2]=4 958 B10R0.4 CC=CCOCCCC(=O)C 7a_100000759063_100000070051 [0,1,0,0,0,0|1,0,2]=4 959 B10R0.4 CC=CCOCCNC(=O)C 34a_100000158858_100000070051 [0,1,0,0,0,0|1,0,2]=4 960 B10R0.4 CC=CCOCCOC(=O)N 7a_100000766696_100000070051 [0,1,0,0,0,0|1,0,2]=4 961 B10R0.4 CC=CCSCCCC(=O)C 62a_100000070051_100011215641 [0,1,0,0,0,0|1,0,2]=4 962 B10R0.4 CC=CCSCCCC(=O)C 62a_100011215641_100000070051 [0,1,0,0,0,0|1,0,2]=4 963 B10R0.4 CC=CCSCCNC(=O)C 62a_100000070051_100000189650 [0,1,0,0,0,0|1,0,2]=4 964 B10R0.4 CC=CCSCCNC(=O)C 62a_100000189650_100000070051 [0,1,0,0,0,0|1,0,2]=4 965 B10R0.4 CC=CCSCCOC(=O)C 62a_100000070051_100009814007 [0,1,0,0,0,0|0,0,2]=3 966 B10R0.4 CC=CCSCCOC(=O)C 62a_100009814007_100000070051 [0,1,0,0,0,0|0,0,2]=3 967 B10R0.4 CC=CCSCCOC(=O)N 62a_100000070051_200011214921 [0,1,0,0,0,0|1,0,2]=4 968 B10R0.4 CC=CCSCCOC(=O)N 62a_200011214921_100000070051 [0,1,0,0,0,0|1,0,2]=4 969 B10R0.4 CCC#CCCOCC(=O)N 34a_100000036655_100000187820 [0,1,0,0,0,0|1,0,2]=4 970 B10R0.4 CCC#CCCOCC(=O)N 7a_100000036655_100000187820 [0,1,0,0,0,0|1,0,2]=4 971 B10R0.4 CCC#CCCOCC(=O)[O-] 34a_100000036655_100020667443 [0,1,0,0,0,0|1,0,2]=4 972 B10R0.4 CCC#CCOCCC(=O)C 34a_100000759926_100009813939 [0,1,0,0,0,0|1,0,2]=4 973 B10R0.4 CCC#CCOCCC(=O)C 7a_100000759926_100009813939 [0,1,0,0,0,0|1,0,2]=4 974 B10R0.4 CCC#CCOCOC(=O)C 34a_100000032950_100009813279 [0,1,0,0,0,0|0,0,2]=3 975 B10R0.4 CCC#CCSCCC(=O)C 62a_100000053229_100009813939 [0,1,0,0,0,0|1,0,2]=4 976 B10R0.4 CCC#CCSCCC(=O)C 62a_100009813939_100000053229 [0,1,0,0,0,0|1,0,2]=4 977 B10R0.4 CCC#CCSCOC(=O)C 62a_100000076356_100009813939 [0,1,0,0,0,0|0,0,2]=3 978 B10R0.4 CCC#CCSCOC(=O)C 62a_100009813939_100000076356 [0,1,0,0,0,0|0,0,2]=3 979 B10R0.4 CCC/C=C/COCC(=O)N 34a_100016278788_100000187820 [0,1,0,0,0,0|1,0,2]=4 980 B10R0.4 CCC/C=C/COCC(=O)N 7a_100016278788_100000187820 [0,1,0,0,0,0|1,0,2]=4 981 B10R0.4 CCC/C=C/COCC(=O)[O-] 34a_100016278788_100020667443 [0,1,0,0,0,0|1,0,2]=4 982 B10R0.4 CCCC=CC=NNC(=O)C 4a_100000189765_100016266791 [0,1,0,0,0,0|2,0,1]=4 983 B10R0.4 CCCCCCC=CC(=O)C 1458a_200015324643_200000210301 [0,1,0,0,0,0|1,0,2]=4 984 B10R0.4 CCCCCCC=CC(=O)[13CH3] 1458a_200015324643_200025704644 [0,1,0,0,0,0|1,0,2]=4 985 B10R0.4 CCCCCCCCC(=O)C 1458a_100000070787_100000210759 [0,1,0,0,0,0|1,0,2]=4 986 B10R0.4 CCCCCCCCC(=O)C 1458a_100000210188_200000210301 [0,1,0,0,0,0|1,0,2]=4 987 B10R0.4 CCCCCCCCC(=O)[13CH3] 1458a_100000210188_200025704644 [0,1,0,0,0,0|1,0,2]=4 988 B10R0.4 CCCCCCCNC(=O)C 11a_100000229938_100015343762 [0,1,0,0,0,0|1,0,2]=4 989 B10R0.4 CCCCCCCNC(=O)C 1626a_100000229938_100015343762 [0,1,0,0,0,0|1,0,2]=4 990 B10R0.4 CCCCCCCNC(=O)C 240690a_100000229938_100015343762 [0,1,0,0,0,0|1,0,2]=4 991 B10R0.4 CCCCCCCNC(=O)C 527a_100000229938_100103153847 [0,1,0,0,0,0|1,0,2]=4 992 B10R0.4 CCCCCCOCC(=O)C 34a_100000211253_100000210314 [0,1,0,0,0,0|0,0,2]=3 993 B10R0.4 CCCCCCOCC(=O)N 34a_100000210259_100000187820 [0,1,0,0,0,0|1,0,2]=4 994 B10R0.4 CCCCCCOCC(=O)N 7a_100000210259_100000187820 [0,1,0,0,0,0|1,0,2]=4 995 B10R0.4 CCCCCCOCC(=O)[O-] 34a_100000210259_100020667443 [0,1,0,0,0,0|1,0,2]=4 996 B10R0.4 CCCCCOCCC(=O)C 34a_100000759926_100000718602 [0,1,0,0,0,0|1,0,2]=4 997 B10R0.4 CCCCCOCCC(=O)C 7a_100000210253_100000053229 [0,1,0,0,0,0|1,0,2]=4 998 B10R0.4 CCCCCOCCC(=O)C 7a_100000759926_100000210326 [0,1,0,0,0,0|1,0,2]=4 999 B10R0.4 CCCCCOCOC(=O)C 34a_100000210253_100009813279 [0,1,0,0,0,0|0,0,2]=3 1000 B10R0.4 CCCCCSCCC(=O)C 62a_100000053229_100000210326 [0,1,0,0,0,0|1,0,2]=4 1001 B10R0.4 CCCCCSCCC(=O)C 62a_100000210326_100000053229 [0,1,0,0,0,0|1,0,2]=4 1002 B10R0.4 CCCCCSCOC(=O)C 62a_100000076356_100000210326 [0,1,0,0,0,0|0,0,2]=3 1003 B10R0.4 CCCCCSCOC(=O)C 62a_100000210326_100000076356 [0,1,0,0,0,0|0,0,2]=3 1004 B10R0.4 CCCCNCCCC(=O)C 7a_106832991798_100011215641 [0,1,0,0,0,0|1,0,2]=4 1005 B10R0.4 CCCCNCCNC(=O)C 2230a_100000102301_100000189650 [0,1,0,0,0,0|1,0,2]=4 1006 B10R0.4 CCCCNCCNC(=O)C 2230a_100000209853_100000210211 [0,1,0,0,0,0|1,0,2]=4 1007 B10R0.4 CCCCNCCNC(=O)C 7a_106832991798_100000189650 [0,1,0,0,0,0|1,0,2]=4 1008 B10R0.4 CCCCNCCOC(=O)C 7a_106832991798_100009814007 [0,1,0,0,0,0|0,0,2]=3 1009 B10R0.4 CCCCNCCOC(=O)N 7a_106832991798_200011214921 [0,1,0,0,0,0|1,0,2]=4 1010 B10R0.4 CCCCOCCCC(=O)C 34a_100000210227_100000685027 [0,1,0,0,0,0|1,0,2]=4 1011 B10R0.4 CCCCOCCCC(=O)C 34a_100000759063_100000210210 [0,1,0,0,0,0|1,0,2]=4 1012 B10R0.4 CCCCOCCCC(=O)C 7a_100000210227_100011215641 [0,1,0,0,0,0|1,0,2]=4 1013 B10R0.4 CCCCOCCCC(=O)C 7a_100000759063_100000210211 [0,1,0,0,0,0|1,0,2]=4 1014 B10R0.4 CCCCOCCNC(=O)C 34a_100000158858_100000210210 [0,1,0,0,0,0|1,0,2]=4 1015 B10R0.4 CCCCOCCNC(=O)C 7a_100000210227_100000189650 [0,1,0,0,0,0|1,0,2]=4 1016 B10R0.4 CCCCOCCOC(=O)C 34a_100000210227_100009814007 [0,1,0,0,0,0|0,0,2]=3 1017 B10R0.4 CCCCOCCOC(=O)C 7a_100000210227_100009814007 [0,1,0,0,0,0|0,0,2]=3 1018 B10R0.4 CCCCOCCOC(=O)N 34a_100000210227_200011214921 [0,1,0,0,0,0|1,0,2]=4 1019 B10R0.4 CCCCOCCOC(=O)N 7a_100000210227_200011214921 [0,1,0,0,0,0|1,0,2]=4 1020 B10R0.4 CCCCOCCOC(=O)N 7a_100000766696_100000210211 [0,1,0,0,0,0|1,0,2]=4 1021 B10R0.4 CCCCOCOCC(=O)C 34a_100000211253_100011995733 [0,1,0,0,0,0|1,0,2]=4 1022 B10R0.4 CCCCSCCCC(=O)C 62a_100000210211_100011215641 [0,1,0,0,0,0|1,0,2]=4 1023 B10R0.4 CCCCSCCCC(=O)C 62a_100011215641_100000210210 [0,1,0,0,0,0|1,0,2]=4 1024 B10R0.4 CCCCSCCNC(=O)C 11a_100025743550_100015343762 [0,1,0,0,0,0|1,0,2]=4 1025 B10R0.4 CCCCSCCNC(=O)C 1626a_100025743550_100015343762 [0,1,0,0,0,0|1,0,2]=4 1026 B10R0.4 CCCCSCCNC(=O)C 240690a_100025743550_100015343762 [0,1,0,0,0,0|1,0,2]=4 1027 B10R0.4 CCCCSCCNC(=O)C 527a_100025743550_100103153847 [0,1,0,0,0,0|1,0,2]=4 1028 B10R0.4 CCCCSCCNC(=O)C 62a_100000189650_100000210210 [0,1,0,0,0,0|1,0,2]=4 1029 B10R0.4 CCCCSCCNC(=O)C 62a_100000210211_100000189650 [0,1,0,0,0,0|1,0,2]=4 1030 B10R0.4 CCCCSCCOC(=O)C 62a_100000210211_100009814007 [0,1,0,0,0,0|0,0,2]=3 1031 B10R0.4 CCCCSCCOC(=O)C 62a_100009814007_100000210210 [0,1,0,0,0,0|0,0,2]=3 1032 B10R0.4 CCCCSCCOC(=O)N 62a_100000210211_200011214921 [0,1,0,0,0,0|1,0,2]=4 1033 B10R0.4 CCCCSCCOC(=O)N 62a_200011214921_100000210210 [0,1,0,0,0,0|1,0,2]=4 1034 B10R0.4 CCCNCCCNC(=O)C 34a_100000736810_100000210303 [0,1,0,0,0,0|1,0,2]=4 1035 B10R0.4 CCCNCCOCC(=O)O 269956a_100000700818_100000210207 [0,1,0,0,0,0|2,0,1]=4 1036 B10R0.4 CCCOCCCCC(=O)C 34a_100000210258_100009817362 [0,1,0,0,0,0|1,0,2]=4 1037 B10R0.4 CCCOCCCNC(=O)C 1626a_100011217757_100015343762 [0,1,0,0,0,0|1,0,2]=4 1038 B10R0.4 CCCOCCCNC(=O)C 240690a_100011217757_100015343762 [0,1,0,0,0,0|1,0,2]=4 1039 B10R0.4 CCCOCCCNC(=O)C 34a_100000752032_100000210303 [0,1,0,0,0,0|1,0,2]=4 1040 B10R0.4 CCCOCCCNC(=O)C 527a_100011217757_100103153847 [0,1,0,0,0,0|1,0,2]=4 1041 B10R0.4 CCCOCCCOC(=O)C 34a_100000210258_100000042594 [0,1,0,0,0,0|0,0,2]=3 1042 B10R0.4 CCCOCCCOC(=S)C 34a_100000210258_200135323944 [0,1,0,0,0,0|0,1,2]=4 1043 B10R0.4 CCCOCCCSC(=O)C 34a_100000210258_100000038929 [0,1,0,0,0,0|0,1,2]=4 1044 B10R0.4 CCCOCCOCC(=O)C 34a_100000211253_100011215938 [0,1,0,0,0,0|1,0,1]=3 1045 B10R0.4 CCCOCCOCC(=O)N 34a_100000210258_100000076697 [0,1,0,0,0,0|2,0,1]=4 1046 B10R0.4 CCCOCCOCC(=O)N 34a_100000752267_100000187820 [0,1,0,0,0,0|2,0,1]=4 1047 B10R0.4 CCCOCCOCC(=O)N 7a_100000752267_100000187820 [0,1,0,0,0,0|2,0,1]=4 1048 B10R0.4 CCCOCCOCC(=O)[O-] 34a_100000752267_100020667443 [0,1,0,0,0,0|2,0,1]=4 1049 B10R0.4 CCCSCCCCC(=O)C 62a_100000210303_100000735457 [0,1,0,0,0,0|1,0,2]=4 1050 B10R0.4 CCCSCCCCC(=O)C 62a_100000735457_100000210303 [0,1,0,0,0,0|1,0,2]=4 1051 B10R0.4 CCCSCCCOC(=O)C 62a_100000042594_100000210303 [0,1,0,0,0,0|0,0,2]=3 1052 B10R0.4 CCCSCCCOC(=O)C 62a_100000210303_100000042594 [0,1,0,0,0,0|0,0,2]=3 1053 B10R0.4 CCCSCCCOC(=S)C 62a_100000210303_200135323944 [0,1,0,0,0,0|0,1,2]=4 1054 B10R0.4 CCCSCCCOC(=S)C 62a_200135323944_100000210303 [0,1,0,0,0,0|0,1,2]=4 1055 B10R0.4 CCCSCCCSC(=O)C 62a_100000038929_100000210303 [0,1,0,0,0,0|0,1,2]=4 1056 B10R0.4 CCCSCCCSC(=O)C 62a_100000210303_100000038929 [0,1,0,0,0,0|0,1,2]=4 1057 B10R0.4 CCCSCCOCC(=O)N 34a_200000230433_100000187820 [0,1,0,0,0,0|2,0,1]=4 1058 B10R0.4 CCCSCCOCC(=O)N 62a_100000076697_100000210303 [0,1,0,0,0,0|2,0,1]=4 1059 B10R0.4 CCCSCCOCC(=O)N 62a_100000210303_100000076697 [0,1,0,0,0,0|2,0,1]=4 1060 B10R0.4 CCCSCCOCC(=O)N 7a_200000230433_100000187820 [0,1,0,0,0,0|2,0,1]=4 1061 B10R0.4 CCCSCCOCC(=O)[O-] 34a_200000230433_100020667443 [0,1,0,0,0,0|2,0,1]=4 1062 B10R0.4 CCNCCCCNC(=O)C 2230a_200011368371_100000210202 [0,1,0,0,0,0|1,0,2]=4 1063 B10R0.4 CCNCCCCNC(=O)C 34a_200011368371_100000210202 [0,1,0,0,0,0|1,0,2]=4 1064 B10R0.4 CCNCCCCSC(=O)C 2230a_100015525214_200010402107 [0,1,0,0,0,0|0,1,2]=4 1065 B10R0.4 CCOCCCCOC(=O)C 34a_100000073216_100000210202 [0,1,0,0,0,0|0,0,2]=3 1066 B10R0.4 CCOCCCCOC(=O)C 34a_100121572206_100000033659 [0,1,0,0,0,0|0,0,2]=3 1067 B10R0.4 CCOCCCCOC(=O)C 7a_100000073216_100000210202 [0,1,0,0,0,0|0,0,2]=3 1068 B10R0.4 CCOCCCCSC(=O)C 34a_100121572206_200010402107 [0,1,0,0,0,0|0,1,2]=4 1069 B10R0.4 CCOCCCOCC(=O)C 34a_100000211253_100012232248 [0,1,0,0,0,0|1,0,1]=3 1070 B10R0.4 CCOCCCOCC(=O)N 34a_100000757476_100000187820 [0,1,0,0,0,0|2,0,1]=4 1071 B10R0.4 CCOCCCOCC(=O)N 7a_100000757476_100000187820 [0,1,0,0,0,0|2,0,1]=4 1072 B10R0.4 CCOCCCOCC(=O)[O-] 34a_100000757476_100020667443 [0,1,0,0,0,0|2,0,1]=4 1073 B10R0.4 CCOCCNCOC(=O)C 34a_102516460346_100009813279 [0,1,0,0,0,0|1,0,1]=3 1074 B10R0.4 CCOCCOCCC(=O)C 1458a_100000070787_100011211534 [0,1,0,0,0,0|2,0,1]=4 1075 B10R0.4 CCOCCOCCC(=O)C 34a_100000759926_100000210147 [0,1,0,0,0,0|2,0,1]=4 1076 B10R0.4 CCOCCOCCC(=O)C 7a_100000210136_100000053229 [0,1,0,0,0,0|2,0,1]=4 1077 B10R0.4 CCOCCOCCC(=O)C 7a_100000759926_100011215890 [0,1,0,0,0,0|2,0,1]=4 1078 B10R0.4 CCOCCOCOC(=O)C 34a_100000210136_100009813279 [0,1,0,0,0,0|1,0,1]=3 1079 B10R0.4 CCOCCSCCC(=O)C 62a_100000053229_100011215890 [0,1,0,0,0,0|2,0,1]=4 1080 B10R0.4 CCOCCSCCC(=O)C 62a_100000210147_100000053229 [0,1,0,0,0,0|2,0,1]=4 1081 B10R0.4 CCOCCSCOC(=O)C 62a_100000076356_100011215890 [0,1,0,0,0,0|1,0,1]=3 1082 B10R0.4 CCOCCSCOC(=O)C 62a_100000210147_100000076356 [0,1,0,0,0,0|1,0,1]=3 1083 B10R0.4 CCOCOCCOC(=O)C 34a_100121572206_100000076355 [0,1,0,0,0,0|1,0,1]=3 1084 B10R0.4 CCOCSCCCC(=O)C 62a_100000739092_100011215641 [0,1,0,0,0,0|2,0,1]=4 1085 B10R0.4 CCOCSCCCC(=O)C 62a_100011215641_100000739092 [0,1,0,0,0,0|2,0,1]=4 1086 B10R0.4 CCOCSCCNC(=O)C 62a_100000189650_100000739092 [0,1,0,0,0,0|2,0,1]=4 1087 B10R0.4 CCOCSCCNC(=O)C 62a_100000739092_100000189650 [0,1,0,0,0,0|2,0,1]=4 1088 B10R0.4 CCOCSCCOC(=O)C 62a_100000739092_100009814007 [0,1,0,0,0,0|1,0,1]=3 1089 B10R0.4 CCOCSCCOC(=O)C 62a_100009814007_100000739092 [0,1,0,0,0,0|1,0,1]=3 1090 B10R0.4 CCOCSCCOC(=O)N 62a_100000739092_200011214921 [0,1,0,0,0,0|2,0,1]=4 1091 B10R0.4 CCOCSCCOC(=O)N 62a_200011214921_100000739092 [0,1,0,0,0,0|2,0,1]=4 1092 B10R0.4 CCSCCCCOC(=O)C 62a_100000033659_100000210202 [0,1,0,0,0,0|0,0,2]=3 1093 B10R0.4 CCSCCCCOC(=O)C 62a_100000210202_100000033659 [0,1,0,0,0,0|0,0,2]=3 1094 B10R0.4 CCSCCCCSC(=O)C 62a_100000210202_200010402107 [0,1,0,0,0,0|0,1,2]=4 1095 B10R0.4 CCSCCCCSC(=O)C 62a_200010402107_100000210202 [0,1,0,0,0,0|0,1,2]=4 1096 B10R0.4 CCSCCCOCC(=O)N 34a_100011216438_100000187820 [0,1,0,0,0,0|2,0,1]=4 1097 B10R0.4 CCSCCCOCC(=O)N 7a_100011216438_100000187820 [0,1,0,0,0,0|2,0,1]=4 1098 B10R0.4 CCSCCCOCC(=O)[O-] 34a_100011216438_100020667443 [0,1,0,0,0,0|2,0,1]=4 1099 B10R0.4 CCSCCOCCC(=O)C 34a_100000759926_100000757381 [0,1,0,0,0,0|2,0,1]=4 1100 B10R0.4 CCSCCOCCC(=O)C 7a_100000212035_100000053229 [0,1,0,0,0,0|2,0,1]=4 1101 B10R0.4 CCSCCOCCC(=O)C 7a_100000759926_100000757381 [0,1,0,0,0,0|2,0,1]=4 1102 B10R0.4 CCSCCOCOC(=O)C 34a_100000212035_100009813279 [0,1,0,0,0,0|1,0,1]=3 1103 B10R0.4 CCSCCSCCC(=O)C 62a_100000053229_100000757381 [0,1,0,0,0,0|2,0,1]=4 1104 B10R0.4 CCSCCSCCC(=O)C 62a_100000757381_100000053229 [0,1,0,0,0,0|2,0,1]=4 1105 B10R0.4 CCSCCSCOC(=O)C 62a_100000076356_100000757381 [0,1,0,0,0,0|1,0,1]=3 1106 B10R0.4 CCSCCSCOC(=O)C 62a_100000757381_100000076356 [0,1,0,0,0,0|1,0,1]=3 1107 B10R0.4 CCSCOCCOC(=O)C 62a_100000076355_100000210202 [0,1,0,0,0,0|1,0,1]=3 1108 B10R0.4 CCSCOCCOC(=O)C 62a_100000210202_100000076355 [0,1,0,0,0,0|1,0,1]=3 1109 B10R0.4 CNCCCCCNC(=O)C 2230a_200012022750_200000210301 [0,1,0,0,0,0|1,0,2]=4 1110 B10R0.4 CNCCCCCNC(=O)C 34a_200012022750_200000210301 [0,1,0,0,0,0|1,0,2]=4 1111 B10R0.4 CNCCCCCOC(=O)C 2230a_106832991635_100009813381 [0,1,0,0,0,0|0,0,2]=3 1112 B10R0.4 CNCCCCCOC(=O)C 34a_100102657272_100000033007 [0,1,0,0,0,0|0,0,2]=3 1113 B10R0.4 CNCCCCCOC(=O)C 7a_106832991635_100000033007 [0,1,0,0,0,0|0,0,2]=3 1114 B10R0.4 CNCCCOCOC(=O)C 34a_100000213112_100009813279 [0,1,0,0,0,0|1,0,2]=4 1115 B10R0.4 CNCCOCCOC(=O)C 2230a_106832991635_200000083610 [0,1,0,0,0,0|1,0,1]=3 1116 B10R0.4 CNCCOCCOC(=O)C 34a_100102657272_200000083610 [0,1,0,0,0,0|1,0,1]=3 1117 B10R0.4 CNCCOCCOC(=O)C 7a_106832991635_200000083610 [0,1,0,0,0,0|1,0,1]=3 1118 B10R0.4 COCCCCCCC(=O)C 1458a_100000070787_100011998445 [0,1,0,0,0,0|1,0,2]=4 1119 B10R0.4 COCCCCCNC(=O)C 11a_100000747528_100015343762 [0,1,0,0,0,0|1,0,2]=4 1120 B10R0.4 COCCCCCNC(=O)C 1626a_100000747528_100015343762 [0,1,0,0,0,0|1,0,2]=4 1121 B10R0.4 COCCCCCNC(=O)C 240690a_100000747528_100015343762 [0,1,0,0,0,0|1,0,2]=4 1122 B10R0.4 COCCCCCNC(=O)C 527a_100000747528_100103153847 [0,1,0,0,0,0|1,0,2]=4 1123 B10R0.4 COCCCCCOC(=O)C 34a_100138415774_100000033007 [0,1,0,0,0,0|0,0,2]=3 1124 B10R0.4 COCCCCOCC(=O)C 34a_100000211253_100000755781 [0,1,0,0,0,0|1,0,2]=4 1125 B10R0.4 COCCCNCOC(=O)C 34a_100150723488_100009813279 [0,1,0,0,0,0|1,0,2]=4 1126 B10R0.4 COCCCOCOC(=O)C 34a_100000740835_100009813279 [0,1,0,0,0,0|1,0,2]=4 1127 B10R0.4 COCCCSCOC(=O)C 62a_100000076356_100000709357 [0,1,0,0,0,0|1,0,2]=4 1128 B10R0.4 COCCCSCOC(=O)C 62a_100000709357_100000076356 [0,1,0,0,0,0|1,0,2]=4 1129 B10R0.4 COCCNCCNC(=O)C 2230a_100000209853_100011201679 [0,1,0,0,0,0|2,0,1]=4 1130 B10R0.4 COCCNCCNC(=O)C 2230a_100000209980_100000189650 [0,1,0,0,0,0|2,0,1]=4 1131 B10R0.4 COCCOCCCC(=O)C 1458a_100000070787_100011216529 [0,1,0,0,0,0|2,0,1]=4 1132 B10R0.4 COCCOCCCC(=O)C 34a_100000210237_100000685027 [0,1,0,0,0,0|2,0,1]=4 1133 B10R0.4 COCCOCCCC(=O)C 34a_100000759063_100011201679 [0,1,0,0,0,0|2,0,1]=4 1134 B10R0.4 COCCOCCCC(=O)C 7a_100000759063_100000233755 [0,1,0,0,0,0|2,0,1]=4 1135 B10R0.4 COCCOCCNC(=O)C 11a_100000745349_100015343762 [0,1,0,0,0,0|2,0,1]=4 1136 B10R0.4 COCCOCCNC(=O)C 1626a_100000745349_100015343762 [0,1,0,0,0,0|2,0,1]=4 1137 B10R0.4 COCCOCCNC(=O)C 240690a_100000745349_100015343762 [0,1,0,0,0,0|2,0,1]=4 1138 B10R0.4 COCCOCCNC(=O)C 34a_100000158858_100011201679 [0,1,0,0,0,0|2,0,1]=4 1139 B10R0.4 COCCOCCNC(=O)C 527a_100000745349_100103153847 [0,1,0,0,0,0|2,0,1]=4 1140 B10R0.4 COCCOCCOC(=O)C 34a_100000210237_100009814007 [0,1,0,0,0,0|1,0,1]=3 1141 B10R0.4 COCCOCCOC(=O)C 34a_100138415774_200000083610 [0,1,0,0,0,0|1,0,1]=3 1142 B10R0.4 COCCOCCOC(=O)N 34a_100000210237_200011214921 [0,1,0,0,0,0|2,0,1]=4 1143 B10R0.4 COCCOCCOC(=O)N 7a_100000766696_100000233755 [0,1,0,0,0,0|2,0,1]=4 1144 B10R0.4 COCCSCCCC(=O)C 62a_100000233755_100011215641 [0,1,0,0,0,0|2,0,1]=4 1145 B10R0.4 COCCSCCCC(=O)C 62a_100011215641_100000233755 [0,1,0,0,0,0|2,0,1]=4 1146 B10R0.4 COCCSCCNC(=O)C 62a_100000189650_100000233755 [0,1,0,0,0,0|2,0,1]=4 1147 B10R0.4 COCCSCCNC(=O)C 62a_100000233755_100000189650 [0,1,0,0,0,0|2,0,1]=4 1148 B10R0.4 COCCSCCOC(=O)C 62a_100000233755_100009814007 [0,1,0,0,0,0|1,0,1]=3 1149 B10R0.4 COCCSCCOC(=O)C 62a_100009814007_100000233755 [0,1,0,0,0,0|1,0,1]=3 1150 B10R0.4 COCCSCCOC(=O)N 62a_100000233755_200011214921 [0,1,0,0,0,0|2,0,1]=4 1151 B10R0.4 COCCSCCOC(=O)N 62a_200011214921_100000233755 [0,1,0,0,0,0|2,0,1]=4 1152 B10R0.4 COCSCCCCC(=O)C 62a_100000735457_100000766300 [0,1,0,0,0,0|2,0,1]=4 1153 B10R0.4 COCSCCCCC(=O)C 62a_100000766300_100000735457 [0,1,0,0,0,0|2,0,1]=4 1154 B10R0.4 COCSCCCOC(=O)C 62a_100000042594_100000766300 [0,1,0,0,0,0|1,0,1]=3 1155 B10R0.4 COCSCCCOC(=O)C 62a_100000766300_100000042594 [0,1,0,0,0,0|1,0,1]=3 1156 B10R0.4 COCSCCCOC(=S)C 62a_100000766300_200135323944 [0,1,0,0,0,0|1,1,1]=4 1157 B10R0.4 COCSCCCOC(=S)C 62a_200135323944_100000766300 [0,1,0,0,0,0|1,1,1]=4 1158 B10R0.4 COCSCCCSC(=O)C 62a_100000038929_100000766300 [0,1,0,0,0,0|1,1,1]=4 1159 B10R0.4 COCSCCCSC(=O)C 62a_100000766300_100000038929 [0,1,0,0,0,0|1,1,1]=4 1160 B10R0.4 CSCCCCCOC(=O)C 62a_100000033007_200000210301 [0,1,0,0,0,0|0,0,2]=3 1161 B10R0.4 CSCCCCCOC(=O)C 62a_200000210301_100000033007 [0,1,0,0,0,0|0,0,2]=3 1162 B10R0.4 CSCCCOCOC(=O)C 34a_100000690336_100009813279 [0,1,0,0,0,0|1,0,2]=4 1163 B10R0.4 CSCCNCCNC(=O)C 2230a_100000209853_100000751147 [0,1,0,0,0,0|2,0,1]=4 1164 B10R0.4 CSCCNCCNC(=O)C 2230a_100020590264_100000189650 [0,1,0,0,0,0|2,0,1]=4 1165 B10R0.4 CSCCOCCCC(=O)C 34a_100000230434_100000685027 [0,1,0,0,0,0|2,0,1]=4 1166 B10R0.4 CSCCOCCCC(=O)C 34a_100000759063_100000212216 [0,1,0,0,0,0|2,0,1]=4 1167 B10R0.4 CSCCOCCCC(=O)C 7a_100000230434_100011215641 [0,1,0,0,0,0|2,0,1]=4 1168 B10R0.4 CSCCOCCCC(=O)C 7a_100000759063_100000212216 [0,1,0,0,0,0|2,0,1]=4 1169 B10R0.4 CSCCOCCNC(=O)C 34a_100000158858_100000212216 [0,1,0,0,0,0|2,0,1]=4 1170 B10R0.4 CSCCOCCNC(=O)C 7a_100000230434_100000189650 [0,1,0,0,0,0|2,0,1]=4 1171 B10R0.4 CSCCOCCOC(=O)C 34a_100000230434_100009814007 [0,1,0,0,0,0|1,0,1]=3 1172 B10R0.4 CSCCOCCOC(=O)C 62a_200000083610_200000210301 [0,1,0,0,0,0|1,0,1]=3 1173 B10R0.4 CSCCOCCOC(=O)C 62a_200000210301_200000083610 [0,1,0,0,0,0|1,0,1]=3 1174 B10R0.4 CSCCOCCOC(=O)C 7a_100000230434_100009814007 [0,1,0,0,0,0|1,0,1]=3 1175 B10R0.4 CSCCOCCOC(=O)N 34a_100000230434_200011214921 [0,1,0,0,0,0|2,0,1]=4 1176 B10R0.4 CSCCOCCOC(=O)N 7a_100000230434_200011214921 [0,1,0,0,0,0|2,0,1]=4 1177 B10R0.4 CSCCOCCOC(=O)N 7a_100000766696_100000212216 [0,1,0,0,0,0|2,0,1]=4 1178 B10R0.4 CSCCSCCCC(=O)C 62a_100000212216_100011215641 [0,1,0,0,0,0|2,0,1]=4 1179 B10R0.4 CSCCSCCCC(=O)C 62a_100011215641_100000751147 [0,1,0,0,0,0|2,0,1]=4 1180 B10R0.4 CSCCSCCNC(=O)C 62a_100000189650_100000751147 [0,1,0,0,0,0|2,0,1]=4 1181 B10R0.4 CSCCSCCNC(=O)C 62a_100000212216_100000189650 [0,1,0,0,0,0|2,0,1]=4 1182 B10R0.4 CSCCSCCOC(=O)C 62a_100000212216_100009814007 [0,1,0,0,0,0|1,0,1]=3 1183 B10R0.4 CSCCSCCOC(=O)C 62a_100009814007_100000751147 [0,1,0,0,0,0|1,0,1]=3 1184 B10R0.4 CSCCSCCOC(=O)N 62a_100000212216_200011214921 [0,1,0,0,0,0|2,0,1]=4 1185 B10R0.4 CSCCSCCOC(=O)N 62a_200011214921_100000751147 [0,1,0,0,0,0|2,0,1]=4 1186 B10R0.4 CSCNCCCNC(=O)C 34a_100000736810_100011218213 [0,1,0,0,0,0|2,0,1]=4 1187 B10R0.4 CSCOCCCNC(=O)C 34a_100000752032_100011218213 [0,1,0,0,0,0|2,0,1]=4 1188 B10R0.4 CSCSCCCCC(=O)C 62a_100000735457_100011218213 [0,1,0,0,0,0|2,0,1]=4 1189 B10R0.4 CSCSCCCCC(=O)C 62a_100011218213_100000735457 [0,1,0,0,0,0|2,0,1]=4 1190 B10R0.4 CSCSCCCOC(=O)C 62a_100000042594_100011218213 [0,1,0,0,0,0|1,0,1]=3 1191 B10R0.4 CSCSCCCOC(=O)C 62a_100011218213_100000042594 [0,1,0,0,0,0|1,0,1]=3 1192 B10R0.4 CSCSCCCOC(=S)C 62a_100011218213_200135323944 [0,1,0,0,0,0|1,1,1]=4 1193 B10R0.4 CSCSCCCOC(=S)C 62a_200135323944_100011218213 [0,1,0,0,0,0|1,1,1]=4 1194 B10R0.4 CSCSCCCSC(=O)C 62a_100000038929_100011218213 [0,1,0,0,0,0|1,1,1]=4 1195 B10R0.4 CSCSCCCSC(=O)C 62a_100011218213_100000038929 [0,1,0,0,0,0|1,1,1]=4 1196 B10R0.4 NC(=O)OCCNCCCF 34a_100015189416_200011214921 [0,1,0,0,0,0|2,0,1]=4 1197 B10R0.4 NC(=O)OCCOCCCBr 34a_100011217188_200011214921 [0,1,0,0,0,0|2,0,1]=4 1198 B10R0.4 NC(=O)OCCOCCCCl 34a_100000230001_200011214921 [0,1,0,0,0,0|2,0,1]=4 1199 B10R0.4 NC(=O)OCCOCCCF 34a_100000759539_200011214921 [0,1,0,0,0,0|2,0,1]=4 1200 B10R0.4 NC(=O)OCCOCCCF 7a_100000766696_100011934791 [0,1,0,0,0,0|2,0,1]=4 1201 B10R0.4 NC(=O)OCCOCCCO 7a_100000766696_100011215043 [0,1,0,0,0,0|2,0,1]=4 1202 B10R0.4 NC(=O)OCCSCCCF 62a_100011934791_200011214921 [0,1,0,0,0,0|2,0,1]=4 1203 B10R0.4 NC(=O)OCCSCCCF 62a_200011214921_100011934791 [0,1,0,0,0,0|2,0,1]=4 1204 B10R0.4 NC(=O)OCCSCCCO 62a_100011215043_200011214921 [0,1,0,0,0,0|2,0,1]=4 1205 B10R0.4 NC(=O)OCCSCCCO 62a_200011214921_100011215043 [0,1,0,0,0,0|2,0,1]=4 1206 B10R0.4 NCCCOCCOC(=O)N 34a_100000182051_200011214921 [0,1,0,0,0,0|2,0,1]=4 1207 B10R0.4 [13CH3]C(=O)CCCCCCCO 1458a_100011219782_200025704644 [0,1,0,0,0,0|1,0,2]=4 1208 B10R0.4 [13CH3]C(=O)COCCOCCO 1458a_106645077154_200025704644 [0,1,0,0,0,0|2,0,1]=4 1209 B10R0.6 C/C=C/CSC(C)OC(=O)C 62a_100009818208_100102629194 [0,1,0,0,0,0|1,0,2]=4 1210 B10R0.6 C/C=C/CSC(C)OC(=O)C 62a_100102629194_100009818208 [0,1,0,0,0,0|1,0,2]=4 1211 B10R0.6 C=C(C)CC(=O)C/C=C/CC 1458a_100016274230_100000748629 [0,1,0,0,0,0|2,0,1]=4 1212 B10R0.6 C=C(C)CN(C)C/C=C\CC 2230a_100000225649_100103147603 [0,1,0,0,0,0|3,0,0]=4 1213 B10R0.6 C=C(C)CN(C)C/C=C\CC 269982a_100000225649_100103147603 [0,1,0,0,0,0|3,0,0]=4 1214 B10R0.6 CC/C=C/CC(=O)CC(=O)N 1458a_100016274230_100000187820 [0,1,0,0,0,0|2,0,1]=4 1215 B10R0.6 CC/C=C/CC(=O)CC(=O)[O-] 1458a_100016274230_100020667443 [0,1,0,0,0,0|2,0,1]=4 1216 B10R0.6 CC/C=C\CC(=O)C=C(C)C 1458a_100000211388_100103147603 [0,1,0,0,0,0|2,0,1]=4 1217 B10R0.6 CC/C=C\CC(=O)C=C(C)Cl 1458a_200042562850_100103147603 [0,1,0,0,0,0|2,0,1]=4 1218 B10R0.6 CC/C=C\CC(=O)C=C(C)I 1458a_100025716642_100103147603 [0,1,0,0,0,0|2,0,1]=4 1219 B10R0.6 CC/C=C\CC(=O)CC(=O)N 1458a_100134613110_100103147603 [0,1,0,0,0,0|2,0,1]=4 1220 B10R0.6 CC/C=C\CN(C)CC(=O)N 2230a_100000739694_100103147603 [0,1,0,0,0,0|3,0,0]=4 1221 B10R0.6 CC/C=C\CN(C)CC(=O)O 269956a_100000746989_100103147603 [0,1,0,0,0,0|3,0,0]=4 1222 B10R0.6 CC=CCSC(C)OC(=O)C 62a_100000070051_100009818208 [0,1,0,0,0,0|1,0,2]=4 1223 B10R0.6 CC=CCSC(C)OC(=O)C 62a_100009818208_100000070051 [0,1,0,0,0,0|1,0,2]=4 1224 B10R0.6 CCCCCC(C)NC(=O)C 11a_100000211957_100015343762 [0,1,0,0,0,0|1,0,2]=4 1225 B10R0.6 CCCCCC(C)NC(=O)C 1626a_100000211957_100015343762 [0,1,0,0,0,0|1,0,2]=4 1226 B10R0.6 CCCCCC(C)NC(=O)C 240690a_100000211957_100015343762 [0,1,0,0,0,0|1,0,2]=4 1227 B10R0.6 CCCCCC(C)NC(=O)C 527a_100000211957_100103153847 [0,1,0,0,0,0|1,0,2]=4 1228 B10R0.6 CCCCSC(C)OC(=O)C 62a_100000210211_100009818208 [0,1,0,0,0,0|1,0,2]=4 1229 B10R0.6 CCCCSC(C)OC(=O)C 62a_100009818208_100000210210 [0,1,0,0,0,0|1,0,2]=4 1230 B10R0.6 CCOCSC(C)OC(=O)C 62a_100000739092_100009818208 [0,1,0,0,0,0|2,0,1]=4 1231 B10R0.6 CCOCSC(C)OC(=O)C 62a_100009818208_100000739092 [0,1,0,0,0,0|2,0,1]=4 1232 B10R0.22 CC/C=C\CCNC(C)(C)C 2230a_100000715429_100015370543 [0,1,0,0,0,0|2,0,1]=4 1233 B10R0.22 CC/C=C\CCOC(C)(C)C 34a_100015890283_100015370543 [0,1,0,0,0,0|1,0,1]=3 1234 B10R0.22 CC/C=C\CCOC(C)(C)C 34a_100016288707_100000210625 [0,1,0,0,0,0|1,0,1]=3 1235 B10R0.22 CC/C=C\CCOC(C)(C)C 7a_100015890283_100015370543 [0,1,0,0,0,0|1,0,1]=3 1236 B10R0.22 CC/C=C\CCOC(F)(F)F 34a_100016288707_200103152311 [0,1,0,0,0,0|2,0,1]=4 1237 B10R0.22 CC/C=C\CCOC(F)(F)F 7a_100016288707_200000243211 [0,1,0,0,0,0|2,0,1]=4 1238 B10R0.22 CC/C=C\CCSC(C)(C)C 62a_100000211941_100015370543 [0,1,0,0,0,0|1,1,1]=4 1239 B10R0.22 CC/C=C\CCSC(C)(C)C 62a_100015370543_100000211941 [0,1,0,0,0,0|1,1,1]=4 1240 B10R0.22 CCCOCCOS(=O)(=O)C 34a_100000210258_200000036756 [0,1,0,0,0,0|2,0,1]=4 1241 B10R0.22 CCCSCCOS(=O)(=O)C 62a_100000210303_200000036756 [0,1,0,0,0,0|2,0,1]=4 1242 B10R0.22 CCCSCCOS(=O)(=O)C 62a_200000036756_100000210303 [0,1,0,0,0,0|2,0,1]=4 1243 B10R0.55 C#CC(=O)CCCOC(=O)C 1458a_100000211873_100000042594 [0,1,0,0,0,0|0,0,3]=4 1244 B10R0.55 C=CC(=O)CCCOC(=O)C 1458a_100000185746_100000042594 [0,1,0,0,0,0|0,0,3]=4 1245 B10R0.55 C=CC(=O)NCCOC(=O)C 240690a_100000724843_200121576911 [0,1,0,0,0,0|1,0,2]=4 1246 B10R0.55 CC(=O)CCCCC(=O)CO 1458a_100000210174_100000735457 [0,1,0,0,0,0|2,0,1]=4 1247 B10R0.55 CC(=O)NCCCC(=O)CF 1458a_100000194741_100015361967 [0,1,0,0,0,0|2,0,1]=4 1248 B10R0.55 CC(=O)NCCNC(=O)CO 240690a_100000209853_100000210174 [0,1,0,0,0,0|3,0,0]=4 1249 B10R0.55 CC(=O)NCCNC(=O)CO 527a_100000209853_100000210174 [0,1,0,0,0,0|3,0,0]=4 1250 B10R0.55 CC(=O)OCCCC(=O)CO 1458a_100000210174_100000042594 [0,1,0,0,0,0|1,0,1]=3 1251 B10R0.55 CC(=O)OCCNC(=O)CO 240690a_100000724843_100000210174 [0,1,0,0,0,0|2,0,0]=3 1252 B10R0.55 CC(=O)OCCNC(=O)CO 527a_100000724843_100000210174 [0,1,0,0,0,0|2,0,0]=3 1253 B10R0.55 CC(=O)OCCOC(C)CF 34a_100016041109_100009814007 [0,1,0,0,0,0|2,0,1]=4 1254 B10R0.55 CC(=O)OCCOC(C)CF 7a_100016041109_100009814007 [0,1,0,0,0,0|2,0,1]=4 1255 B10R0.55 CC(=O)OCCOC(C)CN 34a_100000210904_100009814007 [0,1,0,0,0,0|2,0,1]=4 1256 B10R0.55 CC(=O)OCCSC(C)CO 62a_100012180447_100009814007 [0,1,0,0,0,0|2,0,1]=4 1257 B10R0.55 CC(=O)OCCS[C@H](C)CO 62a_100009814007_100016084084 [0,1,0,0,0,0|2,0,1]=4 1258 B10R0.55 CC(=O)OCCS[C@H](C)CO 62a_100016084084_100009814007 [0,1,0,0,0,0|2,0,1]=4 1259 B10R0.55 CC(=O)SCCCC(=O)CO 1458a_100000210174_100000038929 [0,1,0,0,0,0|1,1,1]=4 1260 B10R0.55 CC(=O)SCCNC(=O)CO 240690a_100020647217_100000210174 [0,1,0,0,0,0|2,1,0]=4 1261 B10R0.55 CC(=O)SCCNC(=O)CO 527a_100020647217_100000210174 [0,1,0,0,0,0|2,1,0]=4 1262 B10R0.55 CC(=S)OCCCC(=O)CO 1458a_100000210174_200135323944 [0,1,0,0,0,0|1,1,1]=4 1263 B10R0.55 CCC(=O)CCCCC(=O)C 1458a_100000210414_100000735457 [0,1,0,0,0,0|1,0,1]=3 1264 B10R0.55 CCC(=O)CCCNC(=O)C 1458a_100000194741_100000210202 [0,1,0,0,0,0|1,0,1]=3 1265 B10R0.55 CCC(=O)CCCOC(=O)C 1458a_100000210414_100000042594 [0,1,0,0,0,0|0,0,1]=2 1266 B10R0.55 CCC(=O)CCCOC(=S)C 1458a_100000210414_200135323944 [0,1,0,0,0,0|0,1,1]=3 1267 B10R0.55 CCC(=O)CCCSC(=O)C 1458a_100000210414_100000038929 [0,1,0,0,0,0|0,1,1]=3 1268 B10R0.55 CCC(=O)COCCC(=O)C 7a_100000759926_100000747405 [0,1,0,0,0,0|2,0,1]=4 1269 B10R0.55 CCC(=O)COCOC(=O)C 34a_100000725409_100009813279 [0,1,0,0,0,0|1,0,1]=3 1270 B10R0.55 CCC(=O)CSCCC(=O)C 62a_100000053229_100000747405 [0,1,0,0,0,0|2,0,1]=4 1271 B10R0.55 CCC(=O)CSCCC(=O)C 62a_100000747405_100000053229 [0,1,0,0,0,0|2,0,1]=4 1272 B10R0.55 CCC(=O)CSCOC(=O)C 62a_100000076356_100000747405 [0,1,0,0,0,0|1,0,1]=3 1273 B10R0.55 CCC(=O)CSCOC(=O)C 62a_100000747405_100000076356 [0,1,0,0,0,0|1,0,1]=3 1274 B10R0.55 CCC(=O)NCCCC(=O)N 240690a_100000739312_100000210414 [0,1,0,0,0,0|3,0,0]=4 1275 B10R0.55 CCC(=O)NCCCC(=O)N 527a_100000739312_100000210414 [0,1,0,0,0,0|3,0,0]=4 1276 B10R0.55 CCC(=O)NCCCS(=O)C 11a_200000753449_100000210414 [0,1,0,0,0,0|3,0,0]=4 1277 B10R0.55 CCC(=O)NCCCS(=O)C 240690a_200000753449_100000210414 [0,1,0,0,0,0|3,0,0]=4 1278 B10R0.55 CCC(=O)NCCCS(=O)C 527a_200000753449_100000210414 [0,1,0,0,0,0|3,0,0]=4 1279 B10R0.55 CCC(=O)NCCNC(=O)C 11a_100132302217_100015343762 [0,1,0,0,0,0|2,0,0]=3 1280 B10R0.55 CCC(=O)NCCNC(=O)C 1626a_100132302217_100015343762 [0,1,0,0,0,0|2,0,0]=3 1281 B10R0.55 CCC(=O)NCCNC(=O)C 240690a_100000209853_100000210414 [0,1,0,0,0,0|2,0,0]=3 1282 B10R0.55 CCC(=O)NCCNC(=O)C 240690a_100132302217_100015343762 [0,1,0,0,0,0|2,0,0]=3 1283 B10R0.55 CCC(=O)NCCNC(=O)C 527a_100000209853_100000210414 [0,1,0,0,0,0|2,0,0]=3 1284 B10R0.55 CCC(=O)NCCNC(=O)C 527a_100132302217_100103153847 [0,1,0,0,0,0|2,0,0]=3 1285 B10R0.55 CCC(=O)NCCNC(=O)N 240690a_100020590234_100000210414 [0,1,0,0,0,0|3,0,0]=4 1286 B10R0.55 CCC(=O)NCCNC(=O)N 527a_100020590234_100000210414 [0,1,0,0,0,0|3,0,0]=4 1287 B10R0.55 CCC(=O)NCCOC(=O)C 11a_100000724843_100000210414 [0,1,0,0,0,0|1,0,0]=2 1288 B10R0.55 CCC(=O)NCCOC(=O)C 240690a_100000724843_100000210414 [0,1,0,0,0,0|1,0,0]=2 1289 B10R0.55 CCC(=O)NCCOC(=O)C 527a_100000724843_100000210414 [0,1,0,0,0,0|1,0,0]=2 1290 B10R0.55 CCC(=O)NCCOC(C)C 11a_100000701111_100000210414 [0,1,0,0,0,0|2,0,1]=4 1291 B10R0.55 CCC(=O)NCCOC(C)C 1626a_100000701111_100000210414 [0,1,0,0,0,0|2,0,1]=4 1292 B10R0.55 CCC(=O)NCCOC(C)C 240690a_100000701111_100000210414 [0,1,0,0,0,0|2,0,1]=4 1293 B10R0.55 CCC(=O)NCCOC(C)C 34a_200000158885_100000210206 [0,1,0,0,0,0|2,0,1]=4 1294 B10R0.55 CCC(=O)NCCOC(C)C 527a_100000701111_100000210414 [0,1,0,0,0,0|2,0,1]=4 1295 B10R0.55 CCC(=O)NCCOC(C)C 7a_200000158885_100000210206 [0,1,0,0,0,0|2,0,1]=4 1296 B10R0.55 CCC(=O)NCCSC(=O)C 11a_100020647217_100000210414 [0,1,0,0,0,0|1,1,0]=3 1297 B10R0.55 CCC(=O)NCCSC(=O)C 240690a_100020647217_100000210414 [0,1,0,0,0,0|1,1,0]=3 1298 B10R0.55 CCC(=O)NCCSC(=O)C 527a_100020647217_100000210414 [0,1,0,0,0,0|1,1,0]=3 1299 B10R0.55 CCC(=O)OCCOC(C)C 7a_200000031056_100000210206 [0,1,0,0,0,0|2,0,1]=4 1300 B10R0.55 CCC(C)CSCOC(=O)C 62a_100000076356_100000748023 [0,1,0,0,0,0|1,0,2]=4 1301 B10R0.55 CCC(C)CSCOC(=O)C 62a_100000748023_100000076356 [0,1,0,0,0,0|1,0,2]=4 1302 B10R0.55 CCC(C)NCCNC(=O)C 2230a_100000209853_100000758301 [0,1,0,0,0,0|2,0,1]=4 1303 B10R0.55 CCC(C)NCCNC(=O)C 2230a_100000209981_100000189650 [0,1,0,0,0,0|2,0,1]=4 1304 B10R0.55 CCC(C)OCCCC(=O)C 34a_100000759063_100011215416 [0,1,0,0,0,0|2,0,1]=4 1305 B10R0.55 CCC(C)OCCCC(=O)C 7a_100000210228_100011215641 [0,1,0,0,0,0|2,0,1]=4 1306 B10R0.55 CCC(C)OCCCC(=O)C 7a_100000759063_100000758301 [0,1,0,0,0,0|2,0,1]=4 1307 B10R0.55 CCC(C)OCCNC(=O)C 34a_100000158858_100011215416 [0,1,0,0,0,0|2,0,1]=4 1308 B10R0.55 CCC(C)OCCNC(=O)C 7a_100000210228_100000189650 [0,1,0,0,0,0|2,0,1]=4 1309 B10R0.55 CCC(C)OCCOC(=O)C 7a_100000210228_100009814007 [0,1,0,0,0,0|1,0,1]=3 1310 B10R0.55 CCC(C)OCCOC(=O)N 7a_100000210228_200011214921 [0,1,0,0,0,0|2,0,1]=4 1311 B10R0.55 CCC(C)OCCOC(=O)N 7a_100000766696_100000758301 [0,1,0,0,0,0|2,0,1]=4 1312 B10R0.55 CCC(C)SCCCC(=O)C 62a_100000758301_100011215641 [0,1,0,0,0,0|2,0,1]=4 1313 B10R0.55 CCC(C)SCCCC(=O)C 62a_100011215641_100000758301 [0,1,0,0,0,0|2,0,1]=4 1314 B10R0.55 CCC(C)SCCNC(=O)C 62a_100000189650_100000758301 [0,1,0,0,0,0|2,0,1]=4 1315 B10R0.55 CCC(C)SCCNC(=O)C 62a_100000758301_100000189650 [0,1,0,0,0,0|2,0,1]=4 1316 B10R0.55 CCC(C)SCCOC(=O)C 62a_100000758301_100009814007 [0,1,0,0,0,0|1,0,1]=3 1317 B10R0.55 CCC(C)SCCOC(=O)C 62a_100009814007_100000758301 [0,1,0,0,0,0|1,0,1]=3 1318 B10R0.55 CCC(C)SCCOC(=O)N 62a_100000758301_200011214921 [0,1,0,0,0,0|2,0,1]=4 1319 B10R0.55 CCC(C)SCCOC(=O)N 62a_200011214921_100000758301 [0,1,0,0,0,0|2,0,1]=4 1320 B10R0.55 CCC(O)CSCOC(=O)C 62a_100000076356_100011218378 [0,1,0,0,0,0|1,0,2]=4 1321 B10R0.55 CCC(O)CSCOC(=O)C 62a_100011218378_100000076356 [0,1,0,0,0,0|1,0,2]=4 1322 B10R0.55 CCN(C)CCCCC(=O)C 269982a_100000225621_100000735457 [0,1,0,0,0,0|2,0,1]=4 1323 B10R0.55 CCN(C)CCCOC(=O)C 269982a_100000225621_100000042594 [0,1,0,0,0,0|1,0,1]=3 1324 B10R0.55 CCN(C)CCCOC(=S)C 2230a_100000225621_200135323944 [0,1,0,0,0,0|1,1,1]=4 1325 B10R0.55 CCN(C)CCCOC(=S)C 269982a_100000225621_200135323944 [0,1,0,0,0,0|1,1,1]=4 1326 B10R0.55 CCN(C)CCCSC(=O)C 2230a_100000225621_100000038929 [0,1,0,0,0,0|1,1,1]=4 1327 B10R0.55 CCN(C)CCCSC(=O)C 269982a_100000225621_100000038929 [0,1,0,0,0,0|1,1,1]=4 1328 B10R0.55 CC[C@H](C)CSCOC(=O)C 62a_100000076356_100009816398 [0,1,0,0,0,0|1,0,2]=4 1329 B10R0.55 CC[C@H](C)CSCOC(=O)C 62a_100009816398_100000076356 [0,1,0,0,0,0|1,0,2]=4 1330 B10R0.55 CNC(=O)CCCNC(=O)C 11a_100000740002_100015343762 [0,1,0,0,0,0|2,0,1]=4 1331 B10R0.55 CNC(=O)CCCNC(=O)C 11a_106832991635_100000194741 [0,1,0,0,0,0|2,0,1]=4 1332 B10R0.55 CNC(=O)CCCNC(=O)C 1626a_100102657272_100000194741 [0,1,0,0,0,0|2,0,1]=4 1333 B10R0.55 CNC(=O)CCCNC(=O)C 240690a_100000740002_100015343762 [0,1,0,0,0,0|2,0,1]=4 1334 B10R0.55 CNC(=O)CCCNC(=O)C 240690a_100102657272_100000194741 [0,1,0,0,0,0|2,0,1]=4 1335 B10R0.55 CNC(=O)CCCNC(=O)C 527a_100000740002_100103153847 [0,1,0,0,0,0|2,0,1]=4 1336 B10R0.55 CNC(=O)CCCNC(=O)C 527a_100102657272_100000194741 [0,1,0,0,0,0|2,0,1]=4 1337 B10R0.55 CNC(=O)COCOC(=O)C 34a_100000750040_100009813279 [0,1,0,0,0,0|2,0,1]=4 1338 B10R0.55 CNC(=O)CSCOC(=O)C 62a_100000076356_100000183359 [0,1,0,0,0,0|2,0,1]=4 1339 B10R0.55 CNC(=O)CSCOC(=O)C 62a_100000183359_100000076356 [0,1,0,0,0,0|2,0,1]=4 1340 B10R0.55 CNC(=O)NCCNC(=O)C 11a_100015205895_100015343762 [0,1,0,0,0,0|3,0,0]=4 1341 B10R0.55 CNC(=O)NCCNC(=O)C 240690a_100015205895_100015343762 [0,1,0,0,0,0|3,0,0]=4 1342 B10R0.55 CNC(=O)NCCNC(=O)C 2708a_100000209853_106832991635 [0,1,0,0,0,0|3,0,0]=4 1343 B10R0.55 CNC(=O)NCCNC(=O)C 2708a_100102657272_100000209853 [0,1,0,0,0,0|3,0,0]=4 1344 B10R0.55 CNC(=O)NCCNC(=O)C 273464a_100000209853_100102657272 [0,1,0,0,0,0|3,0,0]=4 1345 B10R0.55 CNC(=O)NCCNC(=O)C 273464a_100102657272_100000209853 [0,1,0,0,0,0|3,0,0]=4 1346 B10R0.55 CNC(=O)NCCNC(=O)C 512a_100000209853_100102657272 [0,1,0,0,0,0|3,0,0]=4 1347 B10R0.55 CNC(=O)NCCNC(=O)C 512a_106832991638_100000209853 [0,1,0,0,0,0|3,0,0]=4 1348 B10R0.55 CNC(=O)NCCNC(=O)C 527a_100015205895_100103153847 [0,1,0,0,0,0|3,0,0]=4 1349 B10R0.55 CNC(=O)NCCOC(=O)C 2708a_100102657272_100000724843 [0,1,0,0,0,0|2,0,0]=3 1350 B10R0.55 CNC(=O)NCCOC(=O)C 273464a_100000724843_100102657272 [0,1,0,0,0,0|2,0,0]=3 1351 B10R0.55 CNC(=O)NCCOC(=O)C 273464a_100102657272_100000724843 [0,1,0,0,0,0|2,0,0]=3 1352 B10R0.55 CNC(=O)NCCOC(=O)C 512a_100000724843_100102657272 [0,1,0,0,0,0|2,0,0]=3 1353 B10R0.55 CNC(=O)NCCOC(=O)C 512a_106832991638_100000724843 [0,1,0,0,0,0|2,0,0]=3 1354 B10R0.55 CNC(=O)NCCSC(=O)C 2708a_100020647217_106832991635 [0,1,0,0,0,0|2,1,0]=4 1355 B10R0.55 CNC(=O)NCCSC(=O)C 2708a_100102657272_100020647217 [0,1,0,0,0,0|2,1,0]=4 1356 B10R0.55 CNC(=O)NCCSC(=O)C 273464a_100020647217_100102657272 [0,1,0,0,0,0|2,1,0]=4 1357 B10R0.55 CNC(=O)NCCSC(=O)C 273464a_100102657272_100020647217 [0,1,0,0,0,0|2,1,0]=4 1358 B10R0.55 CNC(=O)NCCSC(=O)C 512a_100020647217_100102657272 [0,1,0,0,0,0|2,1,0]=4 1359 B10R0.55 CNC(=O)NCCSC(=O)C 512a_106832991638_100020647217 [0,1,0,0,0,0|2,1,0]=4 1360 B10R0.55 COC(=O)CCCCC(=O)C 1458a_100000070787_100000204269 [0,1,0,0,0,0|2,0,1]=4 1361 B10R0.55 COC(=O)CCCCC(=O)C 1458a_100000695723_200000210301 [0,1,0,0,0,0|2,0,1]=4 1362 B10R0.55 COC(=O)CCCCC(=O)[13CH3] 1458a_100000695723_200025704644 [0,1,0,0,0,0|2,0,1]=4 1363 B10R0.55 COC(=O)CCCNC(=O)C 188690a_100000184769_100015343762 [0,1,0,0,0,0|2,0,1]=4 1364 B10R0.55 COC(=O)CSCOC(=O)C 62a_100000076356_100000747449 [0,1,0,0,0,0|2,0,1]=4 1365 B10R0.55 COC(=O)CSCOC(=O)C 62a_100000747449_100000076356 [0,1,0,0,0,0|2,0,1]=4 1366 B10R0.55 COC(=O)NCCCC(=O)C 1458a_100000753017_200000210301 [0,1,0,0,0,0|3,0,0]=4 1367 B10R0.55 COC(=O)NCCCC(=O)[13CH3] 1458a_100000753017_200025704644 [0,1,0,0,0,0|3,0,0]=4 1368 B10R0.55 COC(C)SCCOC(=O)C 62a_100009814007_100009879195 [0,1,0,0,0,0|2,0,1]=4 1369 B10R0.55 COC(C)SCCOC(=O)C 62a_100009879195_100009814007 [0,1,0,0,0,0|2,0,1]=4 1370 B10R0.74 C#CC(C)NCC/C=C\CC 2230a_100000707721_100015370543 [0,1,0,0,0,0|2,0,1]=4 1371 B10R0.74 C#CC(C)NCC/C=C\CC 34a_100000707721_100015370543 [0,1,0,0,0,0|2,0,1]=4 1372 B10R0.74 C#CC(C)OCC/C=C\CC 34a_100016288707_200000035995 [0,1,0,0,0,0|1,0,1]=3 1373 B10R0.74 C#CC(C)SCC/C=C\CC 62a_200000035995_100015370543 [0,1,0,0,0,0|1,1,1]=4 1374 B10R0.74 C#C[C@@H](C)OCC/C=C\CC 34a_100009815206_100015370543 [0,1,0,0,0,0|1,0,1]=3 1375 B10R0.74 C#C[C@@H](C)OCC/C=C\CC 7a_100009815206_100015370543 [0,1,0,0,0,0|1,0,1]=3 1376 B10R0.74 C/C=C/CSCOC(=O)OC 62a_100102629194_100000139417 [0,1,0,0,0,0|1,0,2]=4 1377 B10R0.74 C=CC(=O)OCCOCCC 34a_100000210258_100009813456 [0,1,0,0,0,0|1,0,2]=4 1378 B10R0.74 C=CC(=O)OCCSCCC 62a_100000210303_100009813456 [0,1,0,0,0,0|1,0,2]=4 1379 B10R0.74 C=CC(=O)OCCSCCC 62a_100009813456_100000210303 [0,1,0,0,0,0|1,0,2]=4 1380 B10R0.74 C=CC(C)OCC/C=C\CC 34a_100000695699_100015370543 [0,1,0,0,0,0|1,0,1]=3 1381 B10R0.74 C=CC(C)SCC/C=C\CC 62a_100011215867_100015370543 [0,1,0,0,0,0|1,1,1]=4 1382 B10R0.74 CC/C=C\CCNC(C)C#N 2230a_100000737613_100015370543 [0,1,0,0,0,0|2,0,1]=4 1383 B10R0.74 CC/C=C\CCNC(C)CC 2230a_100000209981_100015370543 [0,1,0,0,0,0|2,0,1]=4 1384 B10R0.74 CC/C=C\CCN[C@H](C)CO 2230a_100000737577_100015370543 [0,1,0,0,0,0|1,0,2]=4 1385 B10R0.74 CC/C=C\CCOC(C)C#N 34a_100011218135_100015370543 [0,1,0,0,0,0|1,0,1]=3 1386 B10R0.74 CC/C=C\CCOC(C)C#N 7a_100016288707_100000703298 [0,1,0,0,0,0|1,0,1]=3 1387 B10R0.74 CC/C=C\CCOC(C)CC 34a_100016288707_100011215416 [0,1,0,0,0,0|1,0,1]=3 1388 B10R0.74 CC/C=C\CCOC(C)CC 7a_100000210228_100015370543 [0,1,0,0,0,0|1,0,1]=3 1389 B10R0.74 CC/C=C\CCOC(C)CC 7a_100016288707_100000758301 [0,1,0,0,0,0|1,0,1]=3 1390 B10R0.74 CC/C=C\CCOC(C)CF 34a_100016041109_100015370543 [0,1,0,0,0,0|1,0,1]=3 1391 B10R0.74 CC/C=C\CCOC(C)CF 7a_100016041109_100015370543 [0,1,0,0,0,0|1,0,1]=3 1392 B10R0.74 CC/C=C\CCOC(C)CN 34a_100000210904_100015370543 [0,1,0,0,0,0|1,0,1]=3 1393 B10R0.74 CC/C=C\CCOC(C)CO 34a_100016288707_100012180447 [0,1,0,0,0,0|0,0,2]=3 1394 B10R0.74 CC/C=C\CCOC(C)CO 7a_100016288707_100012180447 [0,1,0,0,0,0|0,0,2]=3 1395 B10R0.74 CC/C=C\CCSC(C)C#N 62a_100000703298_100015370543 [0,1,0,0,0,0|1,1,1]=4 1396 B10R0.74 CC/C=C\CCSC(C)C#N 62a_100015370543_100000703298 [0,1,0,0,0,0|1,1,1]=4 1397 B10R0.74 CC/C=C\CCSC(C)CC 62a_100000758301_100015370543 [0,1,0,0,0,0|1,1,1]=4 1398 B10R0.74 CC/C=C\CCSC(C)CC 62a_100015370543_100000758301 [0,1,0,0,0,0|1,1,1]=4 1399 B10R0.74 CC/C=C\CCSC(C)CO 62a_100012180447_100015370543 [0,1,0,0,0,0|0,1,2]=4 1400 B10R0.74 CC/C=C\CCSC(C)OC 62a_100009879195_100015370543 [0,1,0,0,0,0|0,1,2]=4 1401 B10R0.74 CC/C=C\CCSC(C)OC 62a_100015370543_100009879195 [0,1,0,0,0,0|0,1,2]=4 1402 B10R0.74 CC/C=C\CCS[C@H](C)CO 62a_100015370543_100016084084 [0,1,0,0,0,0|0,1,2]=4 1403 B10R0.74 CC/C=C\CCS[C@H](C)CO 62a_100016084084_100015370543 [0,1,0,0,0,0|0,1,2]=4 1404 B10R0.74 CC/C=C\CNCC(=O)NC 2230a_100000693194_100103147603 [0,1,0,0,0,0|2,0,0]=3 1405 B10R0.74 CC/C=C\COCC(=O)CC 34a_100000725409_100103147603 [0,1,0,0,0,0|2,0,0]=3 1406 B10R0.74 CC/C=C\COCC(=O)NC 34a_100000750040_100103147603 [0,1,0,0,0,0|2,0,0]=3 1407 B10R0.74 CC/C=C\COCC(=O)NC 34a_100016268518_100000183359 [0,1,0,0,0,0|2,0,0]=3 1408 B10R0.74 CC/C=C\COCC(=O)OC 34a_100016268518_100000747449 [0,1,0,0,0,0|2,0,0]=3 1409 B10R0.74 CC/C=C\CSCC(=O)CC 62a_100000747405_100103147603 [0,1,0,0,0,0|2,0,0]=3 1410 B10R0.74 CC/C=C\CSCC(=O)CC 62a_100103147603_100000747405 [0,1,0,0,0,0|2,0,0]=3 1411 B10R0.74 CC/C=C\CSCC(=O)NC 62a_100000183359_100103147603 [0,1,0,0,0,0|2,0,0]=3 1412 B10R0.74 CC/C=C\CSCC(=O)NC 62a_100103147603_100000183359 [0,1,0,0,0,0|2,0,0]=3 1413 B10R0.74 CC/C=C\CSCC(=O)OC 62a_100000747449_100103147603 [0,1,0,0,0,0|2,0,0]=3 1414 B10R0.74 CC/C=C\CSCC(=O)OC 62a_100103147603_100000747449 [0,1,0,0,0,0|2,0,0]=3 1415 B10R0.74 CC=CCSCOC(=O)OC 62a_100000070051_100000139417 [0,1,0,0,0,0|1,0,2]=4 1416 B10R0.74 CCC(=O)OCCOCCF 7a_200000031056_100011217306 [0,1,0,0,0,0|2,0,1]=4 1417 B10R0.74 CCC(=O)OCCOCCO 7a_200000031056_100000211926 [0,1,0,0,0,0|2,0,1]=4 1418 B10R0.74 CCC=CC=NNC(=O)CC 4a_100000183195_100011216943 [0,1,0,0,0,0|2,0,1]=4 1419 B10R0.74 CCCCCCCC(=O)CC 1458a_100000210414_100000210614 [0,1,0,0,0,0|1,0,2]=4 1420 B10R0.74 CCCCCCCC(=O)CC 1458a_100000211969_100000210202 [0,1,0,0,0,0|1,0,2]=4 1421 B10R0.74 CCCCCCCC(=O)CF 1458a_100000211969_100015361967 [0,1,0,0,0,0|1,0,2]=4 1422 B10R0.74 CCCCCCCC(=O)CO 1458a_100000210174_100000210614 [0,1,0,0,0,0|1,0,2]=4 1423 B10R0.74 CCCCCCCC(=O)NC 11a_106832991635_100000211969 [0,1,0,0,0,0|1,0,2]=4 1424 B10R0.74 CCCCCCCC(=O)NC 1626a_100102657272_100000211969 [0,1,0,0,0,0|1,0,2]=4 1425 B10R0.74 CCCCCCCC(=O)NC 240690a_100102657272_100000211969 [0,1,0,0,0,0|1,0,2]=4 1426 B10R0.74 CCCCCCCC(=O)NC 527a_100102657272_100000211969 [0,1,0,0,0,0|1,0,2]=4 1427 B10R0.74 CCCCCCNC(=O)CC 11a_100000210581_100000210414 [0,1,0,0,0,0|1,0,2]=4 1428 B10R0.74 CCCCCCNC(=O)CC 1626a_100000210581_100000210414 [0,1,0,0,0,0|1,0,2]=4 1429 B10R0.74 CCCCCCNC(=O)CC 240690a_100000210581_100000210414 [0,1,0,0,0,0|1,0,2]=4 1430 B10R0.74 CCCCCCNC(=O)CC 527a_100000210581_100000210414 [0,1,0,0,0,0|1,0,2]=4 1431 B10R0.74 CCCCCCNC(=O)CO 240690a_100000210581_100000210174 [0,1,0,0,0,0|1,0,2]=4 1432 B10R0.74 CCCCCCNC(=O)CO 527a_100000210581_100000210174 [0,1,0,0,0,0|1,0,2]=4 1433 B10R0.74 CCCCCCNC(=O)NC 2708a_100000210581_106832991635 [0,1,0,0,0,0|1,0,2]=4 1434 B10R0.74 CCCCCCNC(=O)NC 2708a_100102657272_100000210581 [0,1,0,0,0,0|1,0,2]=4 1435 B10R0.74 CCCCCCNC(=O)NC 273464a_100000210581_100102657272 [0,1,0,0,0,0|1,0,2]=4 1436 B10R0.74 CCCCCCNC(=O)NC 273464a_100102657272_100000210581 [0,1,0,0,0,0|1,0,2]=4 1437 B10R0.74 CCCCCCNC(=O)NC 512a_100000210581_100102657272 [0,1,0,0,0,0|1,0,2]=4 1438 B10R0.74 CCCCCCNC(=O)NC 512a_106832991638_100000210581 [0,1,0,0,0,0|1,0,2]=4 1439 B10R0.74 CCCCSCOC(=O)OC 62a_100000210211_100000139417 [0,1,0,0,0,0|1,0,2]=4 1440 B10R0.74 CCCNCCCC(=O)NC 2230a_100000740002_100000210303 [0,1,0,0,0,0|2,0,1]=4 1441 B10R0.74 CCCNCCCC(=O)NC 34a_100000740002_100000210303 [0,1,0,0,0,0|2,0,1]=4 1442 B10R0.74 CCCNCCNC(=O)CC 34a_100132302217_100000210303 [0,1,0,0,0,0|2,0,1]=4 1443 B10R0.74 CCCNCCNC(=O)NC 34a_100015205895_100000210303 [0,1,0,0,0,0|2,0,1]=4 1444 B10R0.74 CCCOCCCC(=O)NC 34a_100000210258_100000741757 [0,1,0,0,0,0|2,0,1]=4 1445 B10R0.74 CCCOCCCC(=O)OC 34a_100000210258_100000742333 [0,1,0,0,0,0|2,0,1]=4 1446 B10R0.74 CCCOCCNC(=O)CC 1626a_100161115042_100000210414 [0,1,0,0,0,0|2,0,1]=4 1447 B10R0.74 CCCOCCNC(=O)CC 240690a_100161115042_100000210414 [0,1,0,0,0,0|2,0,1]=4 1448 B10R0.74 CCCOCCNC(=O)CC 34a_200000158885_100000210303 [0,1,0,0,0,0|2,0,1]=4 1449 B10R0.74 CCCOCCNC(=O)CC 527a_100161115042_100000210414 [0,1,0,0,0,0|2,0,1]=4 1450 B10R0.74 CCCOCCNC(=O)CC 7a_200000158885_100000210303 [0,1,0,0,0,0|2,0,1]=4 1451 B10R0.74 CCCOCCNC(=O)CO 240690a_100161115042_100000210174 [0,1,0,0,0,0|2,0,1]=4 1452 B10R0.74 CCCOCCNC(=O)CO 527a_100161115042_100000210174 [0,1,0,0,0,0|2,0,1]=4 1453 B10R0.74 CCCOCCNC(=O)NC 2708a_100102657272_100161115042 [0,1,0,0,0,0|2,0,1]=4 1454 B10R0.74 CCCOCCNC(=O)NC 2708a_100161115042_106832991635 [0,1,0,0,0,0|2,0,1]=4 1455 B10R0.74 CCCOCCNC(=O)NC 273464a_100102657272_100161115042 [0,1,0,0,0,0|2,0,1]=4 1456 B10R0.74 CCCOCCNC(=O)NC 273464a_100161115042_100102657272 [0,1,0,0,0,0|2,0,1]=4 1457 B10R0.74 CCCOCCNC(=O)NC 512a_100161115042_100102657272 [0,1,0,0,0,0|2,0,1]=4 1458 B10R0.74 CCCOCCNC(=O)NC 512a_106832991638_100161115042 [0,1,0,0,0,0|2,0,1]=4 1459 B10R0.74 CCCOCCNC(=O)OC 34a_100000757965_100000210303 [0,1,0,0,0,0|2,0,1]=4 1460 B10R0.74 CCCOCCOC(=O)CC 7a_200000031056_100000210303 [0,1,0,0,0,0|1,0,1]=3 1461 B10R0.74 CCCOCCOC(=O)NC 34a_100000210258_200011997002 [0,1,0,0,0,0|1,0,1]=3 1462 B10R0.74 CCCOCCOC(=O)OC 34a_100010262106_100000210303 [0,1,0,0,0,0|1,0,1]=3 1463 B10R0.74 CCCSCCCC(=O)NC 62a_100000210303_100000741757 [0,1,0,0,0,0|2,0,1]=4 1464 B10R0.74 CCCSCCCC(=O)NC 62a_100000741757_100000210303 [0,1,0,0,0,0|2,0,1]=4 1465 B10R0.74 CCCSCCCC(=O)OC 62a_100000210303_100011218270 [0,1,0,0,0,0|2,0,1]=4 1466 B10R0.74 CCCSCCCC(=O)OC 62a_100011218270_100000210303 [0,1,0,0,0,0|2,0,1]=4 1467 B10R0.74 CCCSCCNC(=O)CC 11a_100020603323_100000210414 [0,1,0,0,0,0|2,0,1]=4 1468 B10R0.74 CCCSCCNC(=O)CC 240690a_100020603323_100000210414 [0,1,0,0,0,0|2,0,1]=4 1469 B10R0.74 CCCSCCNC(=O)CC 527a_100020603323_100000210414 [0,1,0,0,0,0|2,0,1]=4 1470 B10R0.74 CCCSCCNC(=O)CO 240690a_100020603323_100000210174 [0,1,0,0,0,0|2,0,1]=4 1471 B10R0.74 CCCSCCNC(=O)CO 527a_100020603323_100000210174 [0,1,0,0,0,0|2,0,1]=4 1472 B10R0.74 CCCSCCNC(=O)NC 2708a_100020603323_106832991635 [0,1,0,0,0,0|2,0,1]=4 1473 B10R0.74 CCCSCCNC(=O)NC 2708a_100102657272_100020603323 [0,1,0,0,0,0|2,0,1]=4 1474 B10R0.74 CCCSCCNC(=O)NC 273464a_100020603323_100102657272 [0,1,0,0,0,0|2,0,1]=4 1475 B10R0.74 CCCSCCNC(=O)NC 273464a_100102657272_100020603323 [0,1,0,0,0,0|2,0,1]=4 1476 B10R0.74 CCCSCCNC(=O)NC 512a_100020603323_100102657272 [0,1,0,0,0,0|2,0,1]=4 1477 B10R0.74 CCCSCCNC(=O)NC 512a_106832991638_100020603323 [0,1,0,0,0,0|2,0,1]=4 1478 B10R0.74 CCCSCCOC(=O)NC 62a_100000210303_200011997002 [0,1,0,0,0,0|1,0,1]=3 1479 B10R0.74 CCCSCCOC(=O)NC 62a_200011997002_100000210303 [0,1,0,0,0,0|1,0,1]=3 1480 B10R0.74 CCNCCCCC(=O)OC 2230a_100015525214_100000204269 [0,1,0,0,0,0|2,0,1]=4 1481 B10R0.74 CCOCCCCC(=O)OC 34a_100000059025_100000210202 [0,1,0,0,0,0|2,0,1]=4 1482 B10R0.74 CCOCCCCC(=O)OC 34a_100121572206_100000204269 [0,1,0,0,0,0|2,0,1]=4 1483 B10R0.74 CCOCCCCC(=O)OC 7a_100000059025_100000210202 [0,1,0,0,0,0|2,0,1]=4 1484 B10R0.74 CCOCCCNC(=O)CC 11a_100000210961_100000210414 [0,1,0,0,0,0|2,0,1]=4 1485 B10R0.74 CCOCCCNC(=O)CC 1626a_100000210961_100000210414 [0,1,0,0,0,0|2,0,1]=4 1486 B10R0.74 CCOCCCNC(=O)CC 240690a_100000210961_100000210414 [0,1,0,0,0,0|2,0,1]=4 1487 B10R0.74 CCOCCCNC(=O)CC 527a_100000210961_100000210414 [0,1,0,0,0,0|2,0,1]=4 1488 B10R0.74 CCOCCCNC(=O)CO 240690a_100000210961_100000210174 [0,1,0,0,0,0|2,0,1]=4 1489 B10R0.74 CCOCCCNC(=O)CO 527a_100000210961_100000210174 [0,1,0,0,0,0|2,0,1]=4 1490 B10R0.74 CCOCCCNC(=O)NC 2708a_100000210961_106832991635 [0,1,0,0,0,0|2,0,1]=4 1491 B10R0.74 CCOCCCNC(=O)NC 2708a_100102657272_100000210961 [0,1,0,0,0,0|2,0,1]=4 1492 B10R0.74 CCOCCCNC(=O)NC 273464a_100000210961_100102657272 [0,1,0,0,0,0|2,0,1]=4 1493 B10R0.74 CCOCCCNC(=O)NC 273464a_100102657272_100000210961 [0,1,0,0,0,0|2,0,1]=4 1494 B10R0.74 CCOCCCNC(=O)NC 512a_100000210961_100102657272 [0,1,0,0,0,0|2,0,1]=4 1495 B10R0.74 CCOCCCNC(=O)NC 512a_106832991638_100000210961 [0,1,0,0,0,0|2,0,1]=4 1496 B10R0.74 CCOCSCOC(=O)OC 62a_100000739092_100000139417 [0,1,0,0,0,0|2,0,1]=4 1497 B10R0.74 CCSCCCCC(=O)OC 62a_100000204269_100000210202 [0,1,0,0,0,0|2,0,1]=4 1498 B10R0.74 CCSCCCCC(=O)OC 62a_100000210202_100000204269 [0,1,0,0,0,0|2,0,1]=4 1499 B10R0.74 CNC(=O)OCCNCCF 34a_100000724931_200011997002 [0,1,0,0,0,0|2,0,1]=4 1500 B10R0.74 CNC(=O)OCCNCCO 34a_100016990907_200011997002 [0,1,0,0,0,0|2,0,1]=4 1501 B10R0.74 CNC(=O)OCCOCCBr 34a_100000211926_200011997002 [0,1,0,0,0,0|2,0,1]=4 1502 B10R0.74 CNC(=O)OCCOCCN 34a_100000210304_200011997002 [0,1,0,0,0,0|2,0,1]=4 1503 B10R0.74 CNC(=O)OCCSCCF 62a_100011217306_200011997002 [0,1,0,0,0,0|2,0,1]=4 1504 B10R0.74 CNC(=O)OCCSCCF 62a_200011997002_100011217306 [0,1,0,0,0,0|2,0,1]=4 1505 B10R0.74 CNC(=O)OCCSCCO 62a_100000211926_200011997002 [0,1,0,0,0,0|2,0,1]=4 1506 B10R0.74 CNC(=O)OCCSCCO 62a_200011997002_100000211926 [0,1,0,0,0,0|2,0,1]=4 1507 B10R0.74 CNC(=O)OCCSCOC 62a_100000766300_200011997002 [0,1,0,0,0,0|2,0,1]=4 1508 B10R0.74 CNC(=O)OCCSCOC 62a_200011997002_100000766300 [0,1,0,0,0,0|2,0,1]=4 1509 B10R0.74 CNC(=O)OCCSCSC 62a_100011218213_200011997002 [0,1,0,0,0,0|2,0,1]=4 1510 B10R0.74 CNC(=O)OCCSCSC 62a_200011997002_100011218213 [0,1,0,0,0,0|2,0,1]=4 1511 B10R0.74 COC(=O)OCCOCCF 34a_100010262106_100011217306 [0,1,0,0,0,0|2,0,1]=4 1512 B10R0.74 COC(=O)OCCOCCO 34a_100010262106_100000211926 [0,1,0,0,0,0|2,0,1]=4 1513 B10R0.74 COC(=O)OCCOCSC 34a_100010262106_100011218213 [0,1,0,0,0,0|2,0,1]=4 1514 B10R0.75 C=C(C)C(=O)CC/C=C\CC 1458a_100000185857_100015370543 [0,1,0,0,0,0|2,0,0]=3 1515 B10R0.75 CC/C=C\CCC(=O)C(C)C 1458a_100000210198_100015370543 [0,1,0,0,0,0|2,0,1]=4 1516 B10R0.75 CC/C=C\CCC(=O)C(C)F 1458a_100000062450_100015370543 [0,1,0,0,0,0|2,0,1]=4 1517 B10R0.75 CC/C=C\CCC(=O)[C@@H](C)O 1458a_100000717761_100015370543 [0,1,0,0,0,0|1,0,2]=4 1518 B10R0.75 CC/C=C\CCC(=O)[C@H](C)O 1458a_217856618621_100015370543 [0,1,0,0,0,0|1,0,2]=4 1519 B10R0.75 CC/C=C\CCN(C)C(C)C 269982a_200000211004_100015370543 [0,1,0,0,0,0|2,0,1]=4 1520 B10R0.75 CC/C=C\CN[C@@H](C)C(=O)O 269956a_100000743915_100103147603 [0,1,0,0,0,0|3,0,0]=4 1521 B10R0.75 CC/C=C\CN[C@H](C)C(=O)N 2230a_100000119354_100103147603 [0,1,0,0,0,0|3,0,0]=4 1522 B10R0.75 CC/C=C\CN[C@H](C)C(=O)N 34a_100000119354_100103147603 [0,1,0,0,0,0|3,0,0]=4 1523 B10R0.75 CC/C=C\COC(C)C(=O)C 34a_100000212229_100103147603 [0,1,0,0,0,0|2,0,0]=3 1524 B10R0.75 CC/C=C\COC(C)C(=O)N 34a_100016268518_100000702099 [0,1,0,0,0,0|3,0,0]=4 1525 B10R0.75 CC/C=C\COC(F)C(=O)N 34a_100016268518_100009813875 [0,1,0,0,0,0|3,0,0]=4 1526 B10R0.75 CC/C=C\COC(F)C(=O)[O-] 34a_100016268518_100020610796 [0,1,0,0,0,0|3,0,0]=4 1527 B10R0.75 CC/C=C\CO[C@@H](C)C(=O)[O-] 7a_217856618621_100103147603 [0,1,0,0,0,0|3,0,0]=4 1528 B10R0.75 CC/C=C\CO[C@H](C)C(=O)N 34a_100000731257_100103147603 [0,1,0,0,0,0|3,0,0]=4 1529 B10R0.75 CC/C=C\CO[C@H](C)C(=O)N 7a_100000731257_100103147603 [0,1,0,0,0,0|3,0,0]=4 1530 B10R0.75 CC/C=C\CSC(C)C(=O)C 62a_100009814033_100103147603 [0,1,0,0,0,0|2,0,0]=3 1531 B10R0.75 CC/C=C\CSC(C)C(=O)C 62a_100103147603_100009814033 [0,1,0,0,0,0|2,0,0]=3 1532 B10R0.75 CC/C=C\CSC(C)C(=O)N 62a_100000702099_100103147603 [0,1,0,0,0,0|3,0,0]=4 1533 B10R0.75 CC/C=C\CSC(C)C(=O)N 62a_100103147603_100000702099 [0,1,0,0,0,0|3,0,0]=4 1534 B10R0.75 CC/C=C\CSC(F)C(=O)N 62a_100009813875_100103147603 [0,1,0,0,0,0|3,0,0]=4 1535 B10R0.75 CC/C=C\CSC(F)C(=O)N 62a_100103147603_100009813875 [0,1,0,0,0,0|3,0,0]=4 1536 B10R0.75 CC/C=C\CSC(F)C(=O)[O-] 62a_100020610796_100103147603 [0,1,0,0,0,0|3,0,0]=4 1537 B10R0.75 CC/C=C\CSC(F)C(=O)[O-] 62a_100103147603_100020610796 [0,1,0,0,0,0|3,0,0]=4 1538 B10R0.75 CCCCCCC(C)C(=O)C 1458a_100000070787_100011215978 [0,1,0,0,0,0|1,0,2]=4 1539 B10R0.75 CCCCCCC(O)C(=O)C 1458a_100011215828_200000210301 [0,1,0,0,0,0|1,0,2]=4 1540 B10R0.75 CCCCCCC(O)C(=O)[13CH3] 1458a_100011215828_200025704644 [0,1,0,0,0,0|1,0,2]=4 1541 B10R0.75 CCCCCCN(C)C(=O)C 11a_106256046315_100015343762 [0,1,0,0,0,0|1,0,2]=4 1542 B10R0.75 CCCCCCN(C)C(=O)C 1626a_106256046315_100015343762 [0,1,0,0,0,0|1,0,2]=4 1543 B10R0.75 CCCCCCN(C)C(=O)C 240690a_106256046315_100015343762 [0,1,0,0,0,0|1,0,2]=4 1544 B10R0.75 CCCCCCN(C)C(=O)C 527a_106256046315_100103153847 [0,1,0,0,0,0|1,0,2]=4 1545 B10R0.78 C/C=C/CC(=O)COC(=O)C 1458a_100000183556_100102629194 [0,1,0,0,0,0|0,0,3]=4 1546 B10R0.78 C=C(C)CCC(=O)C=CCC 1458a_100000212282_100000730704 [0,1,0,0,0,0|2,0,1]=4 1547 B10R0.78 CC(=O)OCC(C)NCCO 270004a_100000210304_100000000629 [0,1,0,0,0,0|2,0,1]=4 1548 B10R0.78 CC(=O)OCC(O)CSCF 62a_100015361967_200000139349 [0,1,0,0,0,0|2,0,1]=4 1549 B10R0.78 CC(=O)OCC(O)CSCF 62a_200000139349_100015361967 [0,1,0,0,0,0|2,0,1]=4 1550 B10R0.78 CC=CCC(=O)COC(=O)C 1458a_100000183556_100000070051 [0,1,0,0,0,0|0,0,3]=4 1551 B10R0.78 CCC=CC(=O)CC=C(C)C 1458a_100000212282_100000761012 [0,1,0,0,0,0|2,0,1]=4 1552 B10R0.78 CCC=CC(=O)NNC(=O)C 22a_100000189765_100000212282 [0,1,0,0,0,0|2,0,1]=4 1553 B10R0.78 CCCCC(=O)COC(=O)C 1458a_100000183556_100000210211 [0,1,0,0,0,0|0,0,3]=4 1554 B10R0.78 CCCCC(C)CCC(=O)C 1458a_100000033779_200000210301 [0,1,0,0,0,0|1,0,2]=4 1555 B10R0.78 CCCCC(C)CCC(=O)[13CH3] 1458a_100000033779_200025704644 [0,1,0,0,0,0|1,0,2]=4 1556 B10R0.78 CCCCN(C)COC(=O)C 269982a_100000207549_100000076356 [0,1,0,0,0,0|1,0,2]=4 1557 B10R0.78 CCCNC(=O)COC(=O)C 1626a_100020643023_100000183556 [0,1,0,0,0,0|1,0,2]=4 1558 B10R0.78 CCCNC(=O)COC(=O)C 240690a_100020643023_100000183556 [0,1,0,0,0,0|1,0,2]=4 1559 B10R0.78 CCCNC(=O)COC(=O)C 527a_100020643023_100000183556 [0,1,0,0,0,0|1,0,2]=4 1560 B10R0.78 CCCNC(C)COC(=O)C 270004a_100020643023_100000000629 [0,1,0,0,0,0|1,0,1]=3 1561 B10R0.78 CCCOC(C)CNC(=O)C 11a_100015185124_100015343762 [0,1,0,0,0,0|2,0,1]=4 1562 B10R0.78 CCCOC(C)CNC(=O)C 1626a_100015185124_100015343762 [0,1,0,0,0,0|2,0,1]=4 1563 B10R0.78 CCCOC(C)CNC(=O)C 240690a_100015185124_100015343762 [0,1,0,0,0,0|2,0,1]=4 1564 B10R0.78 CCCOC(C)CNC(=O)C 527a_100015185124_100103153847 [0,1,0,0,0,0|2,0,1]=4 1565 B10R0.78 CCNCC(C)CSC(=O)C 2230a_100015525214_200000116872 [0,1,0,0,0,0|1,1,1]=4 1566 B10R0.78 CCNN=C(C)COC(=O)C 4a_100000756455_100000000629 [0,1,0,0,0,0|2,0,1]=4 1567 B10R0.78 CCNNC(=O)COC(=O)C 22a_100000756455_100000183556 [0,1,0,0,0,0|2,0,1]=4 1568 B10R0.78 CCOCC(=O)COC(=O)C 34a_100121572206_100000036994 [0,1,0,0,0,0|1,0,2]=4 1569 B10R0.78 CCOCC(C)CSC(=O)C 34a_100121572206_200000116872 [0,1,0,0,0,0|1,1,1]=4 1570 B10R0.78 CCOCC(O)CNC(=O)C 240690a_102515437182_100015343762 [0,1,0,0,0,0|2,0,1]=4 1571 B10R0.78 CCOCC(O)CNC(=O)C 527a_102515437182_100103153847 [0,1,0,0,0,0|2,0,1]=4 1572 B10R0.78 CCOCC(O)COC(=O)C 34a_100121572206_200000139349 [0,1,0,0,0,0|1,0,1]=3 1573 B10R0.78 CCSCC(=O)COC(=O)C 62a_100000036994_100000210202 [0,1,0,0,0,0|1,0,2]=4 1574 B10R0.78 CCSCC(=O)COC(=O)C 62a_100000210202_100000036994 [0,1,0,0,0,0|1,0,2]=4 1575 B10R0.78 CCSCC(C)CSC(=O)C 62a_100000210202_200000116872 [0,1,0,0,0,0|1,1,1]=4 1576 B10R0.78 CCSCC(C)CSC(=O)C 62a_200000116872_100000210202 [0,1,0,0,0,0|1,1,1]=4 1577 B10R0.78 CCSCC(O)COC(=O)C 62a_100000210202_200000139349 [0,1,0,0,0,0|1,0,1]=3 1578 B10R0.78 CCSCC(O)COC(=O)C 62a_200000139349_100000210202 [0,1,0,0,0,0|1,0,1]=3 1579 B10R0.97 C=C(C)COCCOC(=O)C 34a_100000210245_100009814007 [0,1,0,0,0,0|1,0,2]=4 1580 B10R0.97 C=C(C)CSCCOC(=O)C 62a_100000748629_100009814007 [0,1,0,0,0,0|1,0,2]=4 1581 B10R0.97 C=C(C)CSCCOC(=O)C 62a_100009814007_100000211660 [0,1,0,0,0,0|1,0,2]=4 1582 B10R0.97 CC(=O)CCCCCC(C)C 1458a_100000070787_100000210682 [0,1,0,0,0,0|1,0,2]=4 1583 B10R0.97 CC(=O)CCCCCC(C)C 1458a_100000766313_200000210301 [0,1,0,0,0,0|1,0,2]=4 1584 B10R0.97 CC(=O)CCCCNC(C)C 34a_100138425928_100009817362 [0,1,0,0,0,0|2,0,1]=4 1585 B10R0.97 CC(=O)CCCCOC(=O)C 1458a_100000070787_100000033659 [0,1,0,0,0,0|0,0,3]=4 1586 B10R0.97 CC(=O)CCCCOC(C)C 34a_100000212225_100009817362 [0,1,0,0,0,0|2,0,1]=4 1587 B10R0.97 CC(=O)CCCCSC(C)C 62a_100000210206_100000735457 [0,1,0,0,0,0|2,0,1]=4 1588 B10R0.97 CC(=O)CCCCSC(C)C 62a_100000735457_100000210206 [0,1,0,0,0,0|2,0,1]=4 1589 B10R0.97 CC(=O)CCCNCC(C)C 34a_100000210953_100000685027 [0,1,0,0,0,0|2,0,1]=4 1590 B10R0.97 CC(=O)CCCNCC(C)O 34a_100000210904_100000685027 [0,1,0,0,0,0|2,0,1]=4 1591 B10R0.97 CC(=O)CCCOCC(C)Br 34a_100012180447_100000685027 [0,1,0,0,0,0|2,0,1]=4 1592 B10R0.97 CC(=O)CCCOCC(C)C 34a_100000210257_100000685027 [0,1,0,0,0,0|2,0,1]=4 1593 B10R0.97 CC(=O)CCCOCC(C)C 34a_100000759063_100000210624 [0,1,0,0,0,0|2,0,1]=4 1594 B10R0.97 CC(=O)CCCOCC(C)C 7a_100000759063_100000210760 [0,1,0,0,0,0|2,0,1]=4 1595 B10R0.97 CC(=O)CCCOCC(C)F 34a_100015925927_100000685027 [0,1,0,0,0,0|2,0,1]=4 1596 B10R0.97 CC(=O)CCCOCC(C)O 34a_100000759063_100011218427 [0,1,0,0,0,0|2,0,1]=4 1597 B10R0.97 CC(=O)CCCOCC(C)O 7a_100000759063_100011218427 [0,1,0,0,0,0|2,0,1]=4 1598 B10R0.97 CC(=O)CCCOC[C@@H](C)Cl 34a_100016084084_100000685027 [0,1,0,0,0,0|2,0,1]=4 1599 B10R0.97 CC(=O)CCCOC[C@@H](C)N 34a_100000737577_100000685027 [0,1,0,0,0,0|2,0,1]=4 1600 B10R0.97 CC(=O)CCCOC[C@@H](C)O 34a_100000759063_100009817552 [0,1,0,0,0,0|2,0,1]=4 1601 B10R0.97 CC(=O)CCCOC[C@@H](C)O 7a_100000759063_100009817552 [0,1,0,0,0,0|2,0,1]=4 1602 B10R0.97 CC(=O)CCCSCC(C)C 62a_100000210624_100011215641 [0,1,0,0,0,0|2,0,1]=4 1603 B10R0.97 CC(=O)CCCSCC(C)C 62a_100011215641_100000210760 [0,1,0,0,0,0|2,0,1]=4 1604 B10R0.97 CC(=O)CCCSCC(C)O 62a_100011215641_100011218427 [0,1,0,0,0,0|2,0,1]=4 1605 B10R0.97 CC(=O)CCCSCC(C)O 62a_100011218427_100011215641 [0,1,0,0,0,0|2,0,1]=4 1606 B10R0.97 CC(=O)CCCSC[C@@H](C)O 62a_100009817552_100011215641 [0,1,0,0,0,0|2,0,1]=4 1607 B10R0.97 CC(=O)CCCSC[C@@H](C)O 62a_100011215641_100009817552 [0,1,0,0,0,0|2,0,1]=4 1608 B10R0.97 CC(=O)COCCOC(=O)C 34a_100000211253_100009814007 [0,1,0,0,0,0|1,0,2]=4 1609 B10R0.97 CC(=O)NCCCNC(C)C 34a_100000736810_100000210206 [0,1,0,0,0,0|2,0,1]=4 1610 B10R0.97 CC(=O)NCCCOC(C)C 11a_100000737246_100015343762 [0,1,0,0,0,0|2,0,1]=4 1611 B10R0.97 CC(=O)NCCCOC(C)C 1626a_100000737246_100015343762 [0,1,0,0,0,0|2,0,1]=4 1612 B10R0.97 CC(=O)NCCCOC(C)C 240690a_100000737246_100015343762 [0,1,0,0,0,0|2,0,1]=4 1613 B10R0.97 CC(=O)NCCCOC(C)C 34a_100000752032_100000210206 [0,1,0,0,0,0|2,0,1]=4 1614 B10R0.97 CC(=O)NCCCOC(C)C 527a_100000737246_100103153847 [0,1,0,0,0,0|2,0,1]=4 1615 B10R0.97 CC(=O)NCCNCC(C)C 2230a_100000209853_100000210760 [0,1,0,0,0,0|2,0,1]=4 1616 B10R0.97 CC(=O)NCCNCC(C)C 2230a_100000210953_100000189650 [0,1,0,0,0,0|2,0,1]=4 1617 B10R0.97 CC(=O)NCCNCC(C)O 2230a_100000209853_100011218427 [0,1,0,0,0,0|2,0,1]=4 1618 B10R0.97 CC(=O)NCCNCC(C)O 2230a_100000210904_100000189650 [0,1,0,0,0,0|2,0,1]=4 1619 B10R0.97 CC(=O)NCCNC[C@@H](C)O 2230a_100000209853_100009817552 [0,1,0,0,0,0|2,0,1]=4 1620 B10R0.97 CC(=O)NCCOCC(C)C 34a_100000158858_100000210624 [0,1,0,0,0,0|2,0,1]=4 1621 B10R0.97 CC(=O)NCCOCC(C)O 34a_100000158858_100011218427 [0,1,0,0,0,0|2,0,1]=4 1622 B10R0.97 CC(=O)NCCOC[C@@H](C)O 34a_100000158858_100009817552 [0,1,0,0,0,0|2,0,1]=4 1623 B10R0.97 CC(=O)NCCSCC(C)C 62a_100000189650_100000210760 [0,1,0,0,0,0|2,0,1]=4 1624 B10R0.97 CC(=O)NCCSCC(C)C 62a_100000210624_100000189650 [0,1,0,0,0,0|2,0,1]=4 1625 B10R0.97 CC(=O)NCCSCC(C)O 62a_100000189650_100011218427 [0,1,0,0,0,0|2,0,1]=4 1626 B10R0.97 CC(=O)NCCSCC(C)O 62a_100011218427_100000189650 [0,1,0,0,0,0|2,0,1]=4 1627 B10R0.97 CC(=O)NCCSC[C@@H](C)O 62a_100000189650_100009817552 [0,1,0,0,0,0|2,0,1]=4 1628 B10R0.97 CC(=O)NCCSC[C@@H](C)O 62a_100009817552_100000189650 [0,1,0,0,0,0|2,0,1]=4 1629 B10R0.97 CC(=O)OCCCCN(C)C 269982a_100102631434_100000033659 [0,1,0,0,0,0|1,0,2]=4 1630 B10R0.97 CC(=O)OCCCNC(C)C 34a_100138425928_100000042594 [0,1,0,0,0,0|1,0,1]=3 1631 B10R0.97 CC(=O)OCCCOC(C)C 34a_100000212225_100000042594 [0,1,0,0,0,0|1,0,1]=3 1632 B10R0.97 CC(=O)OCCCSC(C)C 62a_100000042594_100000210206 [0,1,0,0,0,0|1,0,1]=3 1633 B10R0.97 CC(=O)OCCCSC(C)C 62a_100000210206_100000042594 [0,1,0,0,0,0|1,0,1]=3 1634 B10R0.97 CC(=O)OCCNCC(C)C 34a_100000210953_100009814007 [0,1,0,0,0,0|1,0,1]=3 1635 B10R0.97 CC(=O)OCCNCC(C)O 34a_100000210904_100009814007 [0,1,0,0,0,0|1,0,1]=3 1636 B10R0.97 CC(=O)OCCNCC(F)F 34a_100000765723_100009814007 [0,1,0,0,0,0|2,0,1]=4 1637 B10R0.97 CC(=O)OCCOCC(C)Br 34a_100012180447_100009814007 [0,1,0,0,0,0|1,0,1]=3 1638 B10R0.97 CC(=O)OCCOCC(C)C 34a_100000210257_100009814007 [0,1,0,0,0,0|1,0,1]=3 1639 B10R0.97 CC(=O)OCCOCC(C)F 34a_100015925927_100009814007 [0,1,0,0,0,0|1,0,1]=3 1640 B10R0.97 CC(=O)OCCOCC(F)F 34a_100000743014_100009814007 [0,1,0,0,0,0|2,0,1]=4 1641 B10R0.97 CC(=O)OCCOCN(C)C 269982a_100102631434_100000076355 [0,1,0,0,0,0|2,0,1]=4 1642 B10R0.97 CC(=O)OCCOC[C@@H](C)Cl 34a_100016084084_100009814007 [0,1,0,0,0,0|1,0,1]=3 1643 B10R0.97 CC(=O)OCCOC[C@@H](C)N 34a_100000737577_100009814007 [0,1,0,0,0,0|1,0,1]=3 1644 B10R0.97 CC(=O)OCCSCC(C)C 62a_100000210624_100009814007 [0,1,0,0,0,0|1,0,1]=3 1645 B10R0.97 CC(=O)OCCSCC(C)C 62a_100009814007_100000210760 [0,1,0,0,0,0|1,0,1]=3 1646 B10R0.97 CC(=O)OCCSCC(C)O 62a_100009814007_100011218427 [0,1,0,0,0,0|1,0,1]=3 1647 B10R0.97 CC(=O)OCCSCC(C)O 62a_100011218427_100009814007 [0,1,0,0,0,0|1,0,1]=3 1648 B10R0.97 CC(=O)OCCSCC(F)F 62a_100009814007_100011934356 [0,1,0,0,0,0|2,0,1]=4 1649 B10R0.97 CC(=O)OCCSCC(F)F 62a_100011934356_100009814007 [0,1,0,0,0,0|2,0,1]=4 1650 B10R0.97 CC(=O)OCCSC[C@@H](C)O 62a_100009814007_100009817552 [0,1,0,0,0,0|1,0,1]=3 1651 B10R0.97 CC(=O)OCCSC[C@@H](C)O 62a_100009817552_100009814007 [0,1,0,0,0,0|1,0,1]=3 1652 B10R0.97 CC(=O)OCNCC=C(C)C 34a_100000718196_100009813279 [0,1,0,0,0,0|1,0,2]=4 1653 B10R0.97 CC(=O)OCOCC=C(C)C 34a_100000753907_100009813279 [0,1,0,0,0,0|1,0,2]=4 1654 B10R0.97 CC(=O)OCOCCC(C)Br 34a_100009893172_100009813279 [0,1,0,0,0,0|1,0,2]=4 1655 B10R0.97 CC(=O)OCOCCC(C)C 34a_100000210254_100009813279 [0,1,0,0,0,0|1,0,2]=4 1656 B10R0.97 CC(=O)OCOCC[C@@H](C)N 34a_100000706166_100009813279 [0,1,0,0,0,0|1,0,2]=4 1657 B10R0.97 CC(=O)OCSCC=C(C)C 62a_100000076356_100000761012 [0,1,0,0,0,0|1,0,2]=4 1658 B10R0.97 CC(=O)OCSCC=C(C)C 62a_100000761012_100000076356 [0,1,0,0,0,0|1,0,2]=4 1659 B10R0.97 CC(=O)OCSCCC(C)C 62a_100000076356_100000210312 [0,1,0,0,0,0|1,0,2]=4 1660 B10R0.97 CC(=O)OCSCCC(C)C 62a_100000210312_100000076356 [0,1,0,0,0,0|1,0,2]=4 1661 B10R0.97 CC(=O)OCSCCC(C)O 62a_100000076356_100012276601 [0,1,0,0,0,0|1,0,2]=4 1662 B10R0.97 CC(=O)OCSCCC(C)O 62a_100012276601_100000076356 [0,1,0,0,0,0|1,0,2]=4 1663 B10R0.97 CC(=O)OCSCOC(C)C 62a_100000076356_100000709892 [0,1,0,0,0,0|2,0,1]=4 1664 B10R0.97 CC(=O)OCSCOC(C)C 62a_100000709892_100000076356 [0,1,0,0,0,0|2,0,1]=4 1665 B10R0.97 CC(=O)SCCCNC(C)C 2230a_100138425928_100000038929 [0,1,0,0,0,0|1,1,1]=4 1666 B10R0.97 CC(=O)SCCCNC(C)C 34a_100138425928_100000038929 [0,1,0,0,0,0|1,1,1]=4 1667 B10R0.97 CC(=O)SCCCOC(C)C 34a_100000212225_100000038929 [0,1,0,0,0,0|1,1,1]=4 1668 B10R0.97 CC(=O)SCCCSC(C)C 62a_100000038929_100000210206 [0,1,0,0,0,0|1,1,1]=4 1669 B10R0.97 CC(=O)SCCCSC(C)C 62a_100000210206_100000038929 [0,1,0,0,0,0|1,1,1]=4 1670 B10R0.97 CC(=S)OCCCNC(C)C 2230a_100138425928_200135323944 [0,1,0,0,0,0|1,1,1]=4 1671 B10R0.97 CC(=S)OCCCNC(C)C 34a_100138425928_200135323944 [0,1,0,0,0,0|1,1,1]=4 1672 B10R0.97 CC(=S)OCCCOC(C)C 34a_100000212225_200135323944 [0,1,0,0,0,0|1,1,1]=4 1673 B10R0.97 CC(=S)OCCCSC(C)C 62a_100000210206_200135323944 [0,1,0,0,0,0|1,1,1]=4 1674 B10R0.97 CC(=S)OCCCSC(C)C 62a_200135323944_100000210206 [0,1,0,0,0,0|1,1,1]=4 1675 B10R0.97 CC(Br)COCCOC(=O)N 34a_100012180447_200011214921 [0,1,0,0,0,0|2,0,1]=4 1676 B10R0.97 CC(C)CCCCCC(=O)[13CH3] 1458a_100000766313_200025704644 [0,1,0,0,0,0|1,0,2]=4 1677 B10R0.97 CC(C)CNCCOC(=O)N 34a_100000210953_200011214921 [0,1,0,0,0,0|2,0,1]=4 1678 B10R0.97 CC(C)COCCOC(=O)N 34a_100000210257_200011214921 [0,1,0,0,0,0|2,0,1]=4 1679 B10R0.97 CC(C)COCCOC(=O)N 7a_100000766696_100000210760 [0,1,0,0,0,0|2,0,1]=4 1680 B10R0.97 CC(C)CSCCOC(=O)N 62a_100000210624_200011214921 [0,1,0,0,0,0|2,0,1]=4 1681 B10R0.97 CC(C)CSCCOC(=O)N 62a_200011214921_100000210760 [0,1,0,0,0,0|2,0,1]=4 1682 B10R0.97 CC(F)COCCOC(=O)N 34a_100015925927_200011214921 [0,1,0,0,0,0|2,0,1]=4 1683 B10R0.97 CC(O)CNCCOC(=O)N 34a_100000210904_200011214921 [0,1,0,0,0,0|2,0,1]=4 1684 B10R0.97 CC(O)COCCOC(=O)N 7a_100000766696_100011218427 [0,1,0,0,0,0|2,0,1]=4 1685 B10R0.97 CC(O)CSCCOC(=O)N 62a_100011218427_200011214921 [0,1,0,0,0,0|2,0,1]=4 1686 B10R0.97 CC(O)CSCCOC(=O)N 62a_200011214921_100011218427 [0,1,0,0,0,0|2,0,1]=4 1687 B10R0.97 C[C@@H](Cl)COCCOC(=O)N 34a_100016084084_200011214921 [0,1,0,0,0,0|2,0,1]=4 1688 B10R0.97 C[C@@H](N)COCCOC(=O)N 34a_100000737577_200011214921 [0,1,0,0,0,0|2,0,1]=4 1689 B10R0.97 C[C@@H](O)COCCOC(=O)N 7a_100000766696_100009817552 [0,1,0,0,0,0|2,0,1]=4 1690 B10R0.97 C[C@@H](O)CSCCOC(=O)N 62a_100009817552_200011214921 [0,1,0,0,0,0|2,0,1]=4 1691 B10R0.97 C[C@@H](O)CSCCOC(=O)N 62a_200011214921_100009817552 [0,1,0,0,0,0|2,0,1]=4 1692 B10R1.10 CCCN1CCNC(=O)C1 2230a_100000184651_100000210303 [0,0,0,1,0,0|2,0,1]=4 1693 B10R1.10 CCCN1CCOC(=O)C1 2230a_100000131268_100000210303 [0,0,0,1,0,0|1,0,1]=3 1694 B10R1.10 CCNC1CCNC(=O)C1 2230a_100016994916_100000210202 [0,0,0,1,0,0|2,0,1]=4 1695 B10R1.10 CCNC1CCNC(=O)C1 34a_100016994916_100000210202 [0,0,0,1,0,0|2,0,1]=4 1696 B10R1.10 CCOC1CCCC(=O)C1 34a_100012613340_100000210202 [0,0,0,1,0,0|2,0,1]=4 1697 B10R1.10 CCO[C@@H]1CCNC(=O)C1 34a_100015189427_100000210202 [0,0,0,1,0,0|2,0,1]=4 1698 B10R1.10 COCN1CCOC(=O)C1 2230a_100000131268_100000766300 [0,0,0,1,0,0|2,0,1]=4 1699 B10R1.10 CSCN1CCOC(=O)C1 2230a_100000131268_100011218213 [0,0,0,1,0,0|2,0,1]=4 1700 B10R1.10 O=C1CN(CCO1)CCF 2230a_100000131268_100011217306 [0,0,0,1,0,0|2,0,1]=4 1701 B10R1.10 O=C1CN(CCO1)CCO 2230a_100000131268_100000211926 [0,0,0,1,0,0|2,0,1]=4 1702 B10R1.16 CCC=Cc1noc(n1)C 270196a_100016260345_100000070787 [0,0,0,1,0,0|2,0,1]=4 1703 B10R1.16 CCCNC1CNC(=O)C1 2230a_100000697751_100000210303 [0,0,0,1,0,0|2,0,1]=4 1704 B10R1.16 CCCOC1CCC(=O)C1 34a_100012614533_100000210303 [0,0,0,1,0,0|2,0,1]=4 1705 B10R1.16 CCCOC1CNC(=O)C1 34a_100000690082_100000210303 [0,0,0,1,0,0|2,0,1]=4 1706 B10R1.16 CCCOC1COC(=O)O1 34a_100000210258_100000032252 [0,0,0,1,0,0|2,0,1]=4 1707 B10R1.16 CCCSC1COC(=O)O1 62a_100000210303_100000032252 [0,0,0,1,0,0|2,0,1]=4 1708 B10R1.16 CCNCC1CNC(=O)C1 2230a_100016993742_100000210202 [0,0,0,1,0,0|2,0,1]=4 1709 B10R1.16 CCNCC1CNC(=O)C1 34a_100016993742_100000210202 [0,0,0,1,0,0|2,0,1]=4 1710 B10R1.16 CCNC[C@H]1COC(=O)N1 2230a_100015525214_100015307671 [0,0,0,1,0,0|2,0,1]=4 1711 B10R1.16 CCNN=C1COC(=O)C1 4a_100000756455_100000211896 [0,0,0,1,0,0|2,0,1]=4 1712 B10R1.16 CCOCC1CNC(=O)C1 34a_100016041077_100000210202 [0,0,0,1,0,0|2,0,1]=4 1713 B10R1.16 CCOCC1COC(=O)O1 34a_100121572206_100000073702 [0,0,0,1,0,0|2,0,1]=4 1714 B10R1.16 CCOC[C@H]1COC(=O)N1 34a_100121572206_100015307671 [0,0,0,1,0,0|2,0,1]=4 1715 B10R1.16 CCSCC1COC(=O)O1 62a_100000073702_100000210202 [0,0,0,1,0,0|2,0,1]=4 1716 B10R1.16 CCSCC1COC(=O)O1 62a_100000210202_100000073702 [0,0,0,1,0,0|2,0,1]=4 1717 B10R1.16 CCSC[C@H]1COC(=O)N1 62a_100000210202_100015307671 [0,0,0,1,0,0|2,0,1]=4 1718 B10R1.16 CCSC[C@H]1COC(=O)N1 62a_100015307671_100000210202 [0,0,0,1,0,0|2,0,1]=4 1719 B10R1.18 C=C(C)CN1CC=CCC1 2230a_100000698166_100000748629 [0,0,0,1,0,0|3,0,0]=4 1720 B10R1.18 C=C(C)CN1CC=CCC1 269982a_100000698166_100000748629 [0,0,0,1,0,0|3,0,0]=4 1721 B10R1.18 C=C(C)CN1CC=CCC1 34a_100000698166_100000748629 [0,0,0,1,0,0|3,0,0]=4 1722 B10R1.18 CC(=O)CC1CCCCC1 1458a_100000070787_100000211423 [0,0,0,1,0,0|1,0,2]=4 1723 B10R1.18 CC(=O)CC1CCCCC1 1458a_100000211666_200000210301 [0,0,0,1,0,0|1,0,2]=4 1724 B10R1.18 CC(=O)CC1CCCOC1 1458a_100000070787_100000741521 [0,0,0,1,0,0|2,0,1]=4 1725 B10R1.18 CC(=O)CC1CCCOC1 1458a_100000741523_200000210301 [0,0,0,1,0,0|2,0,1]=4 1726 B10R1.18 CC(=O)CC1CCOCC1 1458a_100000070787_100000754603 [0,0,0,1,0,0|2,0,1]=4 1727 B10R1.18 CC(=O)CC1CCOCC1 1458a_100000757261_200000210301 [0,0,0,1,0,0|2,0,1]=4 1728 B10R1.18 CC(=O)NC1CCCCC1 11a_100000182618_100015343762 [0,0,0,1,0,0|1,0,2]=4 1729 B10R1.18 CC(=O)NC1CCCCC1 1626a_100000182618_100015343762 [0,0,0,1,0,0|1,0,2]=4 1730 B10R1.18 CC(=O)NC1CCCCC1 240690a_100000182618_100015343762 [0,0,0,1,0,0|1,0,2]=4 1731 B10R1.18 CC(=O)NC1CCCCC1 527a_100000182618_100103153847 [0,0,0,1,0,0|1,0,2]=4 1732 B10R1.18 CC(=O)NC1CCCOC1 11a_100000719290_100015343762 [0,0,0,1,0,0|2,0,1]=4 1733 B10R1.18 CC(=O)NC1CCCOC1 1626a_100000719290_100015343762 [0,0,0,1,0,0|2,0,1]=4 1734 B10R1.18 CC(=O)NC1CCCOC1 240690a_100000719290_100015343762 [0,0,0,1,0,0|2,0,1]=4 1735 B10R1.18 CC(=O)NC1CCCOC1 527a_100000719290_100103153847 [0,0,0,1,0,0|2,0,1]=4 1736 B10R1.18 CC(=O)NC1CCOCC1 11a_100000741149_100015343762 [0,0,0,1,0,0|2,0,1]=4 1737 B10R1.18 CC(=O)NC1CCOCC1 1626a_100000741149_100015343762 [0,0,0,1,0,0|2,0,1]=4 1738 B10R1.18 CC(=O)NC1CCOCC1 240690a_100000741149_100015343762 [0,0,0,1,0,0|2,0,1]=4 1739 B10R1.18 CC(=O)NC1CCOCC1 527a_100000741149_100103153847 [0,0,0,1,0,0|2,0,1]=4 1740 B10R1.18 CC(=O)NC1CCSCC1 11a_100000748639_100015343762 [0,0,0,1,0,0|2,0,1]=4 1741 B10R1.18 CC(=O)NC1CCSCC1 1626a_100000748639_100015343762 [0,0,0,1,0,0|2,0,1]=4 1742 B10R1.18 CC(=O)NC1CCSCC1 240690a_100000748639_100015343762 [0,0,0,1,0,0|2,0,1]=4 1743 B10R1.18 CC(=O)NC1CCSCC1 527a_100000748639_100103153847 [0,0,0,1,0,0|2,0,1]=4 1744 B10R1.18 CC(C)OC1CC=CCC1 34a_100000073881_100000210206 [0,0,0,1,0,0|1,0,1]=3 1745 B10R1.18 CN(C)CC1CC=CCC1 270004a_100102631434_100000189434 [0,0,0,1,0,0|3,0,0]=4 1746 B10R1.18 NC(=O)CN1CC=CCC1 2230a_100000698166_100000747473 [0,0,0,1,0,0|3,0,0]=4 1747 B10R1.18 NC(=O)CN1CC=CCC1 269982a_100000698166_100000187820 [0,0,0,1,0,0|3,0,0]=4 1748 B10R1.18 NC(=O)CN1CC=CCC1 34a_100000698166_100000187820 [0,0,0,1,0,0|3,0,0]=4 1749 B10R1.18 O=C([O-])CN1CC=CCC1 269982a_100000698166_100020667443 [0,0,0,1,0,0|3,0,0]=4 1750 B10R1.18 O=C([O-])CN1CC=CCC1 34a_100000698166_100020667443 [0,0,0,1,0,0|3,0,0]=4 1751 B10R1.18 [13CH3]C(=O)CC1CCCCC1 1458a_100000211666_200025704644 [0,0,0,1,0,0|1,0,2]=4 1752 B10R1.18 [13CH3]C(=O)CC1CCCOC1 1458a_100000741523_200025704644 [0,0,0,1,0,0|2,0,1]=4 1753 B10R1.18 [13CH3]C(=O)CC1CCOCC1 1458a_100000757261_200025704644 [0,0,0,1,0,0|2,0,1]=4 1754 B10R1.24 CCCOCC1CC(=O)C1 34a_100000101936_100000210303 [0,0,0,1,0,0|2,0,1]=4 1755 B10R1.24 CCCSCC1CC(=O)C1 62a_100000210303_100009874392 [0,0,0,1,0,0|2,0,1]=4 1756 B10R1.24 CCCSCC1CC(=O)C1 62a_100009874392_100000210303 [0,0,0,1,0,0|2,0,1]=4 1757 B10R1.39 CCC1C=CCN1C(=O)C 11a_100000730860_100015343762 [0,0,0,1,0,0|1,0,2]=4 1758 B10R1.39 CCC1C=CCN1C(=O)C 1626a_100000730860_100015343762 [0,0,0,1,0,0|1,0,2]=4 1759 B10R1.39 CCC1C=CCN1C(=O)C 240690a_100000730860_100015343762 [0,0,0,1,0,0|1,0,2]=4 1760 B10R1.39 CCC1C=CCN1C(=O)C 527a_100000730860_100103153847 [0,0,0,1,0,0|1,0,2]=4 1761 B10R1.39 CCC1CCCN1C(=O)C 11a_100000754278_100015343762 [0,0,0,1,0,0|1,0,2]=4 1762 B10R1.39 CCC1CCCN1C(=O)C 1626a_100000754278_100015343762 [0,0,0,1,0,0|1,0,2]=4 1763 B10R1.39 CCC1CCCN1C(=O)C 240690a_100000754278_100015343762 [0,0,0,1,0,0|1,0,2]=4 1764 B10R1.39 CCC1CCCN1C(=O)C 527a_100000754278_100103153847 [0,0,0,1,0,0|1,0,2]=4 1765 B10R1.39 CCN1CCCC1C(=O)C 1458a_106256033941_200000210301 [0,0,0,1,0,0|2,0,1]=4 1766 B10R1.39 CCN1CCCC1C(=O)[13CH3] 1458a_106256033941_200025704644 [0,0,0,1,0,0|2,0,1]=4 1767 B10R1.61 CC(=O)C1CCCCC1C 1458a_100011215568_200000210301 [0,0,0,1,0,0|1,0,2]=4 1768 B10R1.61 CC(=O)N1CCCCC1C 11a_100000211376_100015343762 [0,0,0,1,0,0|1,0,2]=4 1769 B10R1.61 CC(=O)N1CCCCC1C 1626a_100000211376_100015343762 [0,0,0,1,0,0|1,0,2]=4 1770 B10R1.61 CC(=O)N1CCCCC1C 240690a_100000211376_100015343762 [0,0,0,1,0,0|1,0,2]=4 1771 B10R1.61 CC(=O)N1CCCCC1C 527a_100000211376_100103153847 [0,0,0,1,0,0|1,0,2]=4 1772 B10R1.61 CC(=O)N1CCOC[C@@H]1C 11a_100009815349_100015343762 [0,0,0,1,0,0|2,0,1]=4 1773 B10R1.61 CC(=O)N1CCOC[C@@H]1C 240690a_100009815349_100015343762 [0,0,0,1,0,0|2,0,1]=4 1774 B10R1.61 CC(=O)N1CCOC[C@@H]1C 527a_100009815349_100103153847 [0,0,0,1,0,0|2,0,1]=4 1775 B10R1.61 CC1CCCCC1C(=O)[13CH3] 1458a_100011215568_200025704644 [0,0,0,1,0,0|1,0,2]=4 1776 B10R1.66 CC(=O)CCC1CCCC1 1458a_100000070787_100000760354 [0,0,0,1,0,0|1,0,2]=4 1777 B10R1.66 CC(=O)CCC1CCCC1 1458a_100000211120_200000210301 [0,0,0,1,0,0|1,0,2]=4 1778 B10R1.66 CC(=O)CCC1CCCO1 1458a_100011247709_200000210301 [0,0,0,1,0,0|2,0,1]=4 1779 B10R1.66 CC(=O)NCC1CCCC1 11a_100000737975_100015343762 [0,0,0,1,0,0|1,0,2]=4 1780 B10R1.66 CC(=O)NCC1CCCC1 1626a_100000737975_100015343762 [0,0,0,1,0,0|1,0,2]=4 1781 B10R1.66 CC(=O)NCC1CCCC1 240690a_100000737975_100015343762 [0,0,0,1,0,0|1,0,2]=4 1782 B10R1.66 CC(=O)NCC1CCCC1 527a_100000737975_100103153847 [0,0,0,1,0,0|1,0,2]=4 1783 B10R1.66 CC(=O)NCC1CCOC1 11a_100000737293_100015343762 [0,0,0,1,0,0|2,0,1]=4 1784 B10R1.66 CC(=O)NCC1CCOC1 1626a_100000737293_100015343762 [0,0,0,1,0,0|2,0,1]=4 1785 B10R1.66 CC(=O)NCC1CCOC1 240690a_100000737293_100015343762 [0,0,0,1,0,0|2,0,1]=4 1786 B10R1.66 CC(=O)NCC1CCOC1 527a_100000737293_100103153847 [0,0,0,1,0,0|2,0,1]=4 1787 B10R1.66 CC(=O)NC[C@@H]1CCCO1 11a_100020590478_100015343762 [0,0,0,1,0,0|2,0,1]=4 1788 B10R1.66 CC(=O)NC[C@@H]1CCCO1 1626a_100020590478_100015343762 [0,0,0,1,0,0|2,0,1]=4 1789 B10R1.66 CC(=O)NC[C@@H]1CCCO1 240690a_100020590478_100015343762 [0,0,0,1,0,0|2,0,1]=4 1790 B10R1.66 CC(=O)NC[C@@H]1CCCO1 527a_100020590478_100103153847 [0,0,0,1,0,0|2,0,1]=4 1791 B10R1.66 CC(=O)NN=C1C=CCC1 4a_100000189765_100000239507 [0,0,0,1,0,0|2,0,1]=4 1792 B10R1.66 CC(=O)OCN1CC=CC1 269982a_100015195280_100000076356 [0,0,0,1,0,0|1,0,2]=4 1793 B10R1.66 CC(=O)OCN1CCCC1 269982a_100000188435_100000076356 [0,0,0,1,0,0|1,0,2]=4 1794 B10R1.66 CC(=O)OCN1CCSC1 269982a_100011215254_100000076356 [0,0,0,1,0,0|2,0,1]=4 1795 B10R1.66 [13CH3]C(=O)CCC1CCCC1 1458a_100000211120_200025704644 [0,0,0,1,0,0|1,0,2]=4 1796 B10R1.66 [13CH3]C(=O)CCC1CCCO1 1458a_100011247709_200025704644 [0,0,0,1,0,0|2,0,1]=4 1797 B10R1.117 CC(=O)OCN1CCC1C 269982a_100000755817_100000076356 [0,0,0,1,0,0|1,0,2]=4 1798 B10R1.117 CC(=O)OCN1CCC1C 34a_100000755817_100009813279 [0,0,0,1,0,0|1,0,2]=4 1799 B10R1.126 CC(=O)CCCNC1CC1 34a_100000212008_100000685027 [0,0,0,1,0,0|2,0,1]=4 1800 B10R1.126 CC(=O)CCCOC1CC1 34a_100000759063_100000211595 [0,0,0,1,0,0|2,0,1]=4 1801 B10R1.126 CC(=O)CCCSC1CC1 62a_100011215641_100000211595 [0,0,0,1,0,0|2,0,1]=4 1802 B10R1.126 CC(=O)NCCOC1CC1 34a_100000158858_100000211595 [0,0,0,1,0,0|2,0,1]=4 1803 B10R1.126 CC(=O)NCCSC1CC1 62a_100000189650_100000211595 [0,0,0,1,0,0|2,0,1]=4 1804 B10R1.126 CC(=O)OCCNC1CC1 34a_100000212008_100009814007 [0,0,0,1,0,0|1,0,1]=3 1805 B10R1.126 CC(=O)OCCSC1CC1 62a_100009814007_100000211595 [0,0,0,1,0,0|1,0,1]=3 1806 B10R1.126 CC(=O)OCNCC1CC1 34a_100000735609_100009813279 [0,0,0,1,0,0|1,0,2]=4 1807 B10R1.126 CC(=O)OCOCC1CC1 34a_100000211283_100009813279 [0,0,0,1,0,0|1,0,2]=4 1808 B10R1.126 CC(=O)OCSCC1CC1 62a_100000076356_100000742324 [0,0,0,1,0,0|1,0,2]=4 1809 B10R1.126 CC(=O)OCSCC1CC1 62a_100000756562_100000076356 [0,0,0,1,0,0|1,0,2]=4 1810 B10R1.126 NC(=O)OCCNC1CC1 34a_100000212008_200011214921 [0,0,0,1,0,0|2,0,1]=4 1811 B10R1.126 NC(=O)OCCSC1CC1 62a_200011214921_100000211595 [0,0,0,1,0,0|2,0,1]=4 1812 B10R1.127 CC(=O)CCCN1CCC1 269982a_100000754969_100011215641 [0,0,0,1,0,0|2,0,1]=4 1813 B10R1.127 CC(=O)NCCN1CCC1 240690a_100000691440_100015343762 [0,0,0,1,0,0|2,0,1]=4 1814 B10R1.127 CC(=O)NCCN1CCC1 269982a_100000754969_100000189650 [0,0,0,1,0,0|2,0,1]=4 1815 B10R1.127 CC(=O)OCCN1CCC1 269982a_100000754969_100009814007 [0,0,0,1,0,0|1,0,1]=3 1816 B10R1.127 CC(=O)OCNC1CCC1 34a_100000749019_100009813279 [0,0,0,1,0,0|1,0,2]=4 1817 B10R1.127 CC(=O)OCOC1CCC1 34a_100000748187_100009813279 [0,0,0,1,0,0|1,0,2]=4 1818 B10R1.127 CC(=O)OCSC1CCC1 62a_100000076356_100000749161 [0,0,0,1,0,0|1,0,2]=4 1819 B10R1.127 NC(=O)OCCN1CCC1 269982a_100000754969_200011214921 [0,0,0,1,0,0|2,0,1]=4 1820 B10R1.162 CCN1CCCNC(=O)C1 2230a_100015190381_100000210202 [0,0,0,1,0,0|2,0,1]=4 1821 B10R1.177 CC/C=C\CCNC1CC1 34a_100000212008_100015370543 [0,0,0,1,0,0|2,0,1]=4 1822 B10R1.177 CC/C=C\CCOC1CC1 34a_100016288707_100000211595 [0,0,0,1,0,0|1,0,1]=3 1823 B10R1.177 CC/C=C\CCSC1CC1 62a_100015370543_100000211595 [0,0,0,1,0,0|1,1,1]=4 1824 B10R1.348 CC(=O)C1CCC=CCC1 1458a_100000048548_200000210301 [0,0,0,1,0,0|1,0,0]=2 1825 B10R1.348 CC(=O)C1CCCCCC1 1458a_100000070787_100011217769 [0,0,0,1,0,0|1,0,2]=4 1826 B10R1.348 CC(=O)C1CCCCCC1 1458a_100000749507_200000210301 [0,0,0,1,0,0|1,0,2]=4 1827 B10R1.348 CC(=O)N1CCCCCC1 11a_100000185865_100015343762 [0,0,0,1,0,0|1,0,2]=4 1828 B10R1.348 CC(=O)N1CCCCCC1 1626a_100000185865_100015343762 [0,0,0,1,0,0|1,0,2]=4 1829 B10R1.348 CC(=O)N1CCCCCC1 240690a_100000185865_100015343762 [0,0,0,1,0,0|1,0,2]=4 1830 B10R1.348 CC(=O)N1CCCCCC1 527a_100000185865_100103153847 [0,0,0,1,0,0|1,0,2]=4 1831 B10R1.348 CC(=O)N1CCCOCC1 11a_100000685342_100015343762 [0,0,0,1,0,0|2,0,1]=4 1832 B10R1.348 CC(=O)N1CCCOCC1 1626a_100000685342_100015343762 [0,0,0,1,0,0|2,0,1]=4 1833 B10R1.348 CC(=O)N1CCCOCC1 240690a_100000685342_100015343762 [0,0,0,1,0,0|2,0,1]=4 1834 B10R1.348 CC(=O)N1CCCOCC1 527a_100000685342_100103153847 [0,0,0,1,0,0|2,0,1]=4 1835 B10R1.348 [13CH3]C(=O)C1CCC=CCC1 1458a_100000048548_200025704644 [0,0,0,1,0,0|1,0,0]=2 1836 B10R1.348 [13CH3]C(=O)C1CCCCCC1 1458a_100000749507_200025704644 [0,0,0,1,0,0|1,0,2]=4 1837 B7R0.1 C/C=C/C=C/COC 34a_100016283227_200000210301 [2,0,0,0,0,0|0,0,2]=4 1838 B7R0.1 C/C=C/C=C/CO[13CH3] 34a_100016283227_200025704644 [2,0,0,0,0,0|0,0,2]=4 1839 B7R0.1 C/C=C/CCOCC 34a_100016278192_100000210202 [2,0,0,0,0,0|0,0,1]=3 1840 B7R0.1 C/C=C/CCOCF 34a_100016278192_100015361967 [2,0,0,0,0,0|1,0,1]=4 1841 B7R0.1 C/C=C/COCC=O 34a_100016270725_200009817547 [2,0,0,0,0,0|2,0,0]=4 1842 B7R0.1 C/C=C/CSCC=O 62a_100102629194_200015260668 [2,0,0,0,0,0|2,0,0]=4 1843 B7R0.1 C/C=C/CSCC=O 62a_200015260668_100102629194 [2,0,0,0,0,0|2,0,0]=4 1844 B7R0.1 C=COCCNCC 2230a_100015525214_100000039644 [2,0,0,0,0,0|1,0,1]=4 1845 B7R0.1 C=COCCOCC 34a_100000033082_100000210202 [2,0,0,0,0,0|1,0,1]=4 1846 B7R0.1 C=COCCOCC 34a_100121572206_100000039644 [2,0,0,0,0,0|1,0,1]=4 1847 B7R0.1 C=COCCSCC 62a_100000039644_100000210202 [2,0,0,0,0,0|1,0,1]=4 1848 B7R0.1 C=COCCSCC 62a_100000210202_100000039644 [2,0,0,0,0,0|1,0,1]=4 1849 B7R0.1 CC/C=C\CCNC 2230a_106832991635_100015370543 [2,0,0,0,0,0|1,0,0]=3 1850 B7R0.1 CC/C=C\CCNC 34a_100102657272_100015370543 [2,0,0,0,0,0|1,0,0]=3 1851 B7R0.1 CC/C=C\CCNC 7a_106832991635_100015370543 [2,0,0,0,0,0|1,0,0]=3 1852 B7R0.1 CC/C=C\CCOC 34a_100016288707_200000210301 [2,0,0,0,0,0|0,0,0]=2 1853 B7R0.1 CC/C=C\CCOC 34a_100138415774_100015370543 [2,0,0,0,0,0|0,0,0]=2 1854 B7R0.1 CC/C=C\CCOC 7a_100016288707_200000210301 [2,0,0,0,0,0|0,0,0]=2 1855 B7R0.1 CC/C=C\CCO[13CH3] 34a_100016288707_200025704644 [2,0,0,0,0,0|0,0,0]=2 1856 B7R0.1 CC/C=C\CCO[13CH3] 7a_100016288707_200025704644 [2,0,0,0,0,0|0,0,0]=2 1857 B7R0.1 CC/C=C\CCSC 62a_100015370543_200000210301 [2,0,0,0,0,0|0,1,0]=3 1858 B7R0.1 CC/C=C\CCSC 62a_200000210301_100015370543 [2,0,0,0,0,0|0,1,0]=3 1859 B7R0.1 CC/C=C\CCS[13CH3] 62a_100015370543_200025704644 [2,0,0,0,0,0|0,1,0]=3 1860 B7R0.1 CC/C=C\CCS[13CH3] 62a_200025704644_100015370543 [2,0,0,0,0,0|0,1,0]=3 1861 B7R0.1 CC/C=C\CNCC 2230a_100015525214_100103147603 [2,0,0,0,0,0|1,0,1]=4 1862 B7R0.1 CC/C=C\COCC 34a_100016268518_100000210202 [2,0,0,0,0,0|0,0,1]=3 1863 B7R0.1 CC/C=C\COCC 34a_100121572206_100103147603 [2,0,0,0,0,0|0,0,1]=3 1864 B7R0.1 CC/C=C\COCF 34a_100016268518_100015361967 [2,0,0,0,0,0|1,0,1]=4 1865 B7R0.1 CC/C=C\CSCC 62a_100000210202_100103147603 [2,0,0,0,0,0|0,1,1]=4 1866 B7R0.1 CC/C=C\CSCC 62a_100103147603_100000210202 [2,0,0,0,0,0|0,1,1]=4 1867 B7R0.1 CC=C=CCCOC 34a_100011020354_200000210301 [2,0,0,0,0,0|0,0,2]=4 1868 B7R0.1 CC=C=CCCO[13CH3] 34a_100011020354_200025704644 [2,0,0,0,0,0|0,0,2]=4 1869 B7R0.1 CC=CCCCOC 34a_100020645299_200000210301 [2,0,0,0,0,0|0,0,2]=4 1870 B7R0.1 CC=CCCCO[13CH3] 34a_100020645299_200025704644 [2,0,0,0,0,0|0,0,2]=4 1871 B7R0.1 CC=CCSCC=O 62a_100000070051_200015260668 [2,0,0,0,0,0|2,0,0]=4 1872 B7R0.1 CC=CCSCC=O 62a_200015260668_100000070051 [2,0,0,0,0,0|2,0,0]=4 1873 B7R0.1 CCC#CCCOC 34a_100000036655_200000210301 [2,0,0,0,0,0|0,0,2]=4 1874 B7R0.1 CCC#CCCOC 7a_100000036655_200000210301 [2,0,0,0,0,0|0,0,2]=4 1875 B7R0.1 CCC#CCCO[13CH3] 34a_100000036655_200025704644 [2,0,0,0,0,0|0,0,2]=4 1876 B7R0.1 CCC#CCCO[13CH3] 7a_100000036655_200025704644 [2,0,0,0,0,0|0,0,2]=4 1877 B7R0.1 CCC/C=C/COC 34a_100016278788_200000210301 [2,0,0,0,0,0|0,0,2]=4 1878 B7R0.1 CCC/C=C/COC 7a_100016278788_200000210301 [2,0,0,0,0,0|0,0,2]=4 1879 B7R0.1 CCC/C=C/CO[13CH3] 34a_100016278788_200025704644 [2,0,0,0,0,0|0,0,2]=4 1880 B7R0.1 CCC/C=C/CO[13CH3] 7a_100016278788_200025704644 [2,0,0,0,0,0|0,0,2]=4 1881 B7R0.1 CCCCCCOC 34a_100000210259_200000210301 [2,0,0,0,0,0|0,0,2]=4 1882 B7R0.1 CCCCCCOC 34a_100138415774_100000210314 [2,0,0,0,0,0|0,0,2]=4 1883 B7R0.1 CCCCCCOC 7a_100000210259_200000210301 [2,0,0,0,0,0|0,0,2]=4 1884 B7R0.1 CCCCCCO[13CH3] 34a_100000210259_200025704644 [2,0,0,0,0,0|0,0,2]=4 1885 B7R0.1 CCCCCCO[13CH3] 7a_100000210259_200025704644 [2,0,0,0,0,0|0,0,2]=4 1886 B7R0.1 CCCCCOCC 34a_100000210253_100000210202 [2,0,0,0,0,0|0,0,2]=4 1887 B7R0.1 CCCCCOCC 34a_100121572206_100000718602 [2,0,0,0,0,0|0,0,2]=4 1888 B7R0.1 CCCCCOCC 7a_100000210253_100000210202 [2,0,0,0,0,0|0,0,2]=4 1889 B7R0.1 CCCNCCOC 2230a_100000209980_100000210303 [2,0,0,0,0,0|1,0,1]=4 1890 B7R0.1 CCCOCCOC 34a_100000210237_100000210303 [2,0,0,0,0,0|1,0,1]=4 1891 B7R0.1 CCCOCCOC 34a_100000210258_100011201679 [2,0,0,0,0,0|1,0,1]=4 1892 B7R0.1 CCCOCCOC 34a_100000752267_200000210301 [2,0,0,0,0,0|1,0,1]=4 1893 B7R0.1 CCCOCCOC 34a_100138415774_100011215938 [2,0,0,0,0,0|1,0,1]=4 1894 B7R0.1 CCCOCCOC 7a_100000752267_200000210301 [2,0,0,0,0,0|1,0,1]=4 1895 B7R0.1 CCCOCCO[13CH3] 34a_100000752267_200025704644 [2,0,0,0,0,0|1,0,1]=4 1896 B7R0.1 CCCOCCO[13CH3] 7a_100000752267_200025704644 [2,0,0,0,0,0|1,0,1]=4 1897 B7R0.1 CCCSCCOC 34a_200000230433_200000210301 [2,0,0,0,0,0|1,0,1]=4 1898 B7R0.1 CCCSCCOC 62a_100000210303_100000233755 [2,0,0,0,0,0|1,0,1]=4 1899 B7R0.1 CCCSCCOC 62a_100000233755_100000210303 [2,0,0,0,0,0|1,0,1]=4 1900 B7R0.1 CCCSCCOC 7a_200000230433_200000210301 [2,0,0,0,0,0|1,0,1]=4 1901 B7R0.1 CCCSCCO[13CH3] 34a_200000230433_200025704644 [2,0,0,0,0,0|1,0,1]=4 1902 B7R0.1 CCCSCCO[13CH3] 7a_200000230433_200025704644 [2,0,0,0,0,0|1,0,1]=4 1903 B7R0.1 CCNCCCC=O 2230a_100015525214_200011292268 [2,0,0,0,0,0|1,0,1]=4 1904 B7R0.1 CCNCCCOC 2230a_100015525214_100000740836 [2,0,0,0,0,0|1,0,1]=4 1905 B7R0.1 CCNCCCOC 34a_100150723488_100000210202 [2,0,0,0,0,0|1,0,1]=4 1906 B7R0.1 CCNCCOCC 2230a_100015525214_100011215890 [2,0,0,0,0,0|1,0,1]=4 1907 B7R0.1 CCNCCOCC 2230a_102516460346_100000210202 [2,0,0,0,0,0|1,0,1]=4 1908 B7R0.1 CCNCCOCC 34a_102516460346_100000210202 [2,0,0,0,0,0|1,0,1]=4 1909 B7R0.1 CCOCCCOC 34a_100000740835_100000210202 [2,0,0,0,0,0|1,0,1]=4 1910 B7R0.1 CCOCCCOC 34a_100000757476_200000210301 [2,0,0,0,0,0|1,0,1]=4 1911 B7R0.1 CCOCCCOC 34a_100121572206_100000740836 [2,0,0,0,0,0|1,0,1]=4 1912 B7R0.1 CCOCCCOC 34a_100138415774_100012232248 [2,0,0,0,0,0|1,0,1]=4 1913 B7R0.1 CCOCCCOC 7a_100000757476_200000210301 [2,0,0,0,0,0|1,0,1]=4 1914 B7R0.1 CCOCCCO[13CH3] 34a_100000757476_200025704644 [2,0,0,0,0,0|1,0,1]=4 1915 B7R0.1 CCOCCCO[13CH3] 7a_100000757476_200025704644 [2,0,0,0,0,0|1,0,1]=4 1916 B7R0.1 CCOCCOCC 34a_100000210136_100000210202 [2,0,0,0,0,0|1,0,1]=4 1917 B7R0.1 CCOCCOCC 34a_100121572206_100000210147 [2,0,0,0,0,0|1,0,1]=4 1918 B7R0.1 CCOCCOCC 7a_100000210136_100000210202 [2,0,0,0,0,0|1,0,1]=4 1919 B7R0.1 CCOCCSCC 34a_100000212035_100000210202 [2,0,0,0,0,0|1,0,1]=4 1920 B7R0.1 CCOCCSCC 34a_100121572206_100000757381 [2,0,0,0,0,0|1,0,1]=4 1921 B7R0.1 CCOCCSCC 62a_100000210147_100000210202 [2,0,0,0,0,0|1,0,1]=4 1922 B7R0.1 CCOCCSCC 62a_100000210202_100011215890 [2,0,0,0,0,0|1,0,1]=4 1923 B7R0.1 CCOCCSCC 7a_100000212035_100000210202 [2,0,0,0,0,0|1,0,1]=4 1924 B7R0.1 CCSCCCC=O 62a_100000210202_200011292268 [2,0,0,0,0,0|1,0,1]=4 1925 B7R0.1 CCSCCCC=O 62a_200011292268_100000210202 [2,0,0,0,0,0|1,0,1]=4 1926 B7R0.1 CCSCCCOC 34a_100011216438_200000210301 [2,0,0,0,0,0|1,0,1]=4 1927 B7R0.1 CCSCCCOC 62a_100000210202_100000709357 [2,0,0,0,0,0|1,0,1]=4 1928 B7R0.1 CCSCCCOC 62a_100000709357_100000210202 [2,0,0,0,0,0|1,0,1]=4 1929 B7R0.1 CCSCCCOC 7a_100011216438_200000210301 [2,0,0,0,0,0|1,0,1]=4 1930 B7R0.1 CCSCCCO[13CH3] 34a_100011216438_200025704644 [2,0,0,0,0,0|1,0,1]=4 1931 B7R0.1 CCSCCCO[13CH3] 7a_100011216438_200025704644 [2,0,0,0,0,0|1,0,1]=4 1932 B7R0.4 C/C=C/C=CC(=O)C 1458a_100000185730_200000210301 [2,0,0,0,0,0|0,0,2]=4 1933 B7R0.4 C/C=C/C=CC(=O)[13CH3] 1458a_100000185730_200025704644 [2,0,0,0,0,0|0,0,2]=4 1934 B7R0.4 C/C=C/COC(C)C 34a_100000212225_100102629194 [2,0,0,0,0,0|1,0,1]=4 1935 B7R0.4 C/C=C/COC(C)C 34a_100016270725_100000210206 [2,0,0,0,0,0|1,0,1]=4 1936 B7R0.4 C=C(C)CCNCC 2230a_100015525214_100000730704 [2,0,0,0,0,0|2,0,0]=4 1937 B7R0.4 C=C(C)CCOCC 34a_100000764851_100000210202 [2,0,0,0,0,0|2,0,0]=4 1938 B7R0.4 C=C(C)CCOCC 34a_100121572206_100000730704 [2,0,0,0,0,0|2,0,0]=4 1939 B7R0.4 C=C(C)CCSCC 62a_100000210202_100000730704 [2,0,0,0,0,0|2,0,0]=4 1940 B7R0.4 C=C(C)CCSCC 62a_100000730704_100000210202 [2,0,0,0,0,0|2,0,0]=4 1941 B7R0.4 C=CCCCC(=O)C 1458a_100000070787_100000757094 [2,0,0,0,0,0|1,0,0]=3 1942 B7R0.4 C=CCCCC(=O)C 1458a_100000766728_200000210301 [2,0,0,0,0,0|1,0,0]=3 1943 B7R0.4 C=CCCCC(=O)[13CH3] 1458a_100000766728_200025704644 [2,0,0,0,0,0|1,0,0]=3 1944 B7R0.4 C=CCCNC(=O)C 11a_100015191253_100015343762 [2,0,0,0,0,0|1,0,0]=3 1945 B7R0.4 C=CCCNC(=O)C 1626a_100015191253_100015343762 [2,0,0,0,0,0|1,0,0]=3 1946 B7R0.4 C=CCCNC(=O)C 240690a_100015191253_100015343762 [2,0,0,0,0,0|1,0,0]=3 1947 B7R0.4 C=CCCNC(=O)C 527a_100015191253_100103153847 [2,0,0,0,0,0|1,0,0]=3 1948 B7R0.4 C=CCCOC(C)C 34a_100000212225_100000754431 [2,0,0,0,0,0|1,0,1]=4 1949 B7R0.4 C=CCCOC(C)C 34a_100011205117_100000210206 [2,0,0,0,0,0|1,0,1]=4 1950 B7R0.4 C=CCNNC(=O)C 22a_100020588587_100000070787 [2,0,0,0,0,0|2,0,0]=4 1951 B7R0.4 C=CCOCC(=O)C 34a_100000211253_100015514636 [2,0,0,0,0,0|2,0,0]=4 1952 B7R0.4 C=CCSCC(=O)C 1458a_100000230395_200000210301 [2,0,0,0,0,0|2,0,0]=4 1953 B7R0.4 C=CCSCC(=O)[13CH3] 1458a_100000230395_200025704644 [2,0,0,0,0,0|2,0,0]=4 1954 B7R0.4 C=COCCC(=O)C 1458a_100000070787_100000039644 [2,0,0,0,0,0|1,0,1]=4 1955 B7R0.4 CC(=O)CCCCF 1458a_100000070787_100000729493 [2,0,0,0,0,0|1,0,1]=4 1956 B7R0.4 CC(=O)CCCCO 1458a_100000070787_100000210776 [2,0,0,0,0,0|1,0,1]=4 1957 B7R0.4 CC(=O)CCCCO 1458a_100000695505_200000210301 [2,0,0,0,0,0|1,0,1]=4 1958 B7R0.4 CC(=O)CCCO[13CH3] 34a_100000759063_200025704644 [2,0,0,0,0,0|1,0,1]=4 1959 B7R0.4 CC(=O)CCCO[13CH3] 7a_100000759063_200025704644 [2,0,0,0,0,0|1,0,1]=4 1960 B7R0.4 CC(=O)CCCS[13CH3] 62a_100011215641_200025704644 [2,0,0,0,0,0|1,0,1]=4 1961 B7R0.4 CC(=O)CCCS[13CH3] 62a_200025704644_100011215641 [2,0,0,0,0,0|1,0,1]=4 1962 B7R0.4 CC(=O)CCOCF 34a_100000759926_100015361967 [2,0,0,0,0,0|2,0,0]=4 1963 B7R0.4 CC(=O)CCOCF 7a_100000759926_100015361967 [2,0,0,0,0,0|2,0,0]=4 1964 B7R0.4 CC(=O)CCSCF 62a_100000053229_100015361967 [2,0,0,0,0,0|2,0,0]=4 1965 B7R0.4 CC(=O)CCSCF 62a_100015361967_100000053229 [2,0,0,0,0,0|2,0,0]=4 1966 B7R0.4 CC(=O)NCCCF 11a_100015189416_100015343762 [2,0,0,0,0,0|2,0,0]=4 1967 B7R0.4 CC(=O)NCCCF 1626a_100015189416_100015343762 [2,0,0,0,0,0|2,0,0]=4 1968 B7R0.4 CC(=O)NCCCF 240690a_100015189416_100015343762 [2,0,0,0,0,0|2,0,0]=4 1969 B7R0.4 CC(=O)NCCCF 527a_100015189416_100103153847 [2,0,0,0,0,0|2,0,0]=4 1970 B7R0.4 CC(=O)NCCCO 240690a_100000182051_100015343762 [2,0,0,0,0,0|2,0,0]=4 1971 B7R0.4 CC(=O)NCCCO 527a_100000182051_100103153847 [2,0,0,0,0,0|2,0,0]=4 1972 B7R0.4 CC(=O)NCCN[13CH3] 2230a_100000209853_200025704644 [2,0,0,0,0,0|2,0,0]=4 1973 B7R0.4 CC(=O)NCCO[13CH3] 34a_100000158858_200025704644 [2,0,0,0,0,0|2,0,0]=4 1974 B7R0.4 CC(=O)NCCS[13CH3] 62a_100000189650_200025704644 [2,0,0,0,0,0|2,0,0]=4 1975 B7R0.4 CC(=O)NCCS[13CH3] 62a_200025704644_100000189650 [2,0,0,0,0,0|2,0,0]=4 1976 B7R0.4 CC(=O)OCCS[13CH3] 62a_100009814007_200025704644 [2,0,0,0,0,0|1,0,0]=3 1977 B7R0.4 CC(=O)OCCS[13CH3] 62a_200025704644_100009814007 [2,0,0,0,0,0|1,0,0]=3 1978 B7R0.4 CC(=O)OCSCF 62a_100000076356_100015361967 [2,0,0,0,0,0|2,0,0]=4 1979 B7R0.4 CC(=O)OCSCF 62a_100015361967_100000076356 [2,0,0,0,0,0|2,0,0]=4 1980 B7R0.4 CC/C=C/CC(=O)C 1458a_100016274230_200000210301 [2,0,0,0,0,0|0,0,0]=2 1981 B7R0.4 CC/C=C/CC(=O)[13CH3] 1458a_100016274230_200025704644 [2,0,0,0,0,0|0,0,0]=2 1982 B7R0.4 CC/C=C\CC(=O)C 1458a_100000070787_100103147603 [2,0,0,0,0,0|0,0,0]=2 1983 B7R0.4 CC/C=C\CN(C)C 2230a_100102631434_100103147603 [2,0,0,0,0,0|2,0,0]=4 1984 B7R0.4 CC/C=C\CN(C)C 269982a_100102631434_100103147603 [2,0,0,0,0,0|2,0,0]=4 1985 B7R0.4 CC=CCOC(C)C 34a_100000212225_100000070051 [2,0,0,0,0,0|1,0,1]=4 1986 B7R0.4 CCC#CCC(=O)C 1458a_100000070787_100009813939 [2,0,0,0,0,0|0,0,2]=4 1987 B7R0.4 CCC=NNC(=O)C 4a_100000189765_100000210100 [2,0,0,0,0,0|2,0,0]=4 1988 B7R0.4 CCCC#CC(=O)C 1458a_200011218047_200000210301 [2,0,0,0,0,0|1,0,1]=4 1989 B7R0.4 CCCC#CC(=O)[13CH3] 1458a_200011218047_200025704644 [2,0,0,0,0,0|1,0,1]=4 1990 B7R0.4 CCCC=CC(=O)C 1458a_100000212230_200000210301 [2,0,0,0,0,0|0,0,2]=4 1991 B7R0.4 CCCC=CC(=O)[13CH3] 1458a_100000212230_200025704644 [2,0,0,0,0,0|0,0,2]=4 1992 B7R0.4 CCCCCC(=O)C 1458a_100000070787_100000210326 [2,0,0,0,0,0|0,0,1]=3 1993 B7R0.4 CCCCCC(=O)C 1458a_100000212188_200000210301 [2,0,0,0,0,0|0,0,1]=3 1994 B7R0.4 CCCCCC(=O)[13CH3] 1458a_100000212188_200025704644 [2,0,0,0,0,0|0,0,1]=3 1995 B7R0.4 CCCCNC(=O)C 11a_100000102301_100015343762 [2,0,0,0,0,0|1,0,0]=3 1996 B7R0.4 CCCCNC(=O)C 1626a_100000102301_100015343762 [2,0,0,0,0,0|1,0,0]=3 1997 B7R0.4 CCCCNC(=O)C 240690a_100000102301_100015343762 [2,0,0,0,0,0|1,0,0]=3 1998 B7R0.4 CCCCNC(=O)C 527a_100000102301_100103153847 [2,0,0,0,0,0|1,0,0]=3 1999 B7R0.4 CCCCOC(C)C 34a_100000210227_100000210206 [2,0,0,0,0,0|1,0,1]=4 2000 B7R0.4 CCCCOC(C)C 34a_100000212225_100000210210 [2,0,0,0,0,0|1,0,1]=4 2001 B7R0.4 CCCCOC(C)C 7a_100000210227_100000210206 [2,0,0,0,0,0|1,0,1]=4 2002 B7R0.4 CCCNNC(=O)C 22a_100000740057_100000070787 [2,0,0,0,0,0|2,0,0]=4 2003 B7R0.4 CCCOCC(=O)C 1458a_100000745993_200000210301 [2,0,0,0,0,0|1,0,1]=4 2004 B7R0.4 CCCOCC(=O)C 34a_100000211253_100000210303 [2,0,0,0,0,0|1,0,1]=4 2005 B7R0.4 CCCOCC(=O)[13CH3] 1458a_100000745993_200025704644 [2,0,0,0,0,0|1,0,1]=4 2006 B7R0.4 CCCSCC(=O)C 1458a_100000217233_200000210301 [2,0,0,0,0,0|1,0,1]=4 2007 B7R0.4 CCCSCC(=O)[13CH3] 1458a_100000217233_200025704644 [2,0,0,0,0,0|1,0,1]=4 2008 B7R0.4 CCNCCC(=O)N 2230a_100015525214_100000744528 [2,0,0,0,0,0|2,0,0]=4 2009 B7R0.4 CCOC=CC(=O)C 1458a_100016266692_200000210301 [2,0,0,0,0,0|1,0,1]=4 2010 B7R0.4 CCOC=CC(=O)[13CH3] 1458a_100016266692_200025704644 [2,0,0,0,0,0|1,0,1]=4 2011 B7R0.4 CCOCCC(=O)C 1458a_100000070787_100011215890 [2,0,0,0,0,0|1,0,0]=3 2012 B7R0.4 CCOCCC(=O)C 1458a_100000749530_200000210301 [2,0,0,0,0,0|1,0,0]=3 2013 B7R0.4 CCOCCC(=O)C 34a_100000759926_100000210202 [2,0,0,0,0,0|1,0,0]=3 2014 B7R0.4 CCOCCC(=O)C 7a_100000759926_100000210202 [2,0,0,0,0,0|1,0,0]=3 2015 B7R0.4 CCOCCC(=O)N 34a_100000757172_100000210202 [2,0,0,0,0,0|2,0,0]=4 2016 B7R0.4 CCOCCC(=O)N 34a_100121572206_100000731001 [2,0,0,0,0,0|2,0,0]=4 2017 B7R0.4 CCOCCC(=O)N 7a_100000757172_100000210202 [2,0,0,0,0,0|2,0,0]=4 2018 B7R0.4 CCOCCC(=O)[13CH3] 1458a_100000749530_200025704644 [2,0,0,0,0,0|1,0,0]=3 2019 B7R0.4 CCOCOC(=O)C 34a_100121572206_100009813279 [2,0,0,0,0,0|1,0,0]=3 2020 B7R0.4 CCSCCC(=O)C 1458a_100000070787_100000757381 [2,0,0,0,0,0|1,0,0]=3 2021 B7R0.4 CCSCCC(=O)C 1458a_100000230768_200000210301 [2,0,0,0,0,0|1,0,0]=3 2022 B7R0.4 CCSCCC(=O)C 62a_100000053229_100000210202 [2,0,0,0,0,0|1,0,0]=3 2023 B7R0.4 CCSCCC(=O)C 62a_100000210202_100000053229 [2,0,0,0,0,0|1,0,0]=3 2024 B7R0.4 CCSCCC(=O)N 62a_100000210202_100000744528 [2,0,0,0,0,0|2,0,0]=4 2025 B7R0.4 CCSCCC(=O)N 62a_100000744528_100000210202 [2,0,0,0,0,0|2,0,0]=4 2026 B7R0.4 CCSCCC(=O)[13CH3] 1458a_100000230768_200025704644 [2,0,0,0,0,0|1,0,0]=3 2027 B7R0.4 CCSCOC(=O)C 62a_100000076356_100000210202 [2,0,0,0,0,0|1,0,0]=3 2028 B7R0.4 CCSCOC(=O)C 62a_100000210202_100000076356 [2,0,0,0,0,0|1,0,0]=3 2029 B7R0.4 CNCCCC(=O)C 34a_100102657272_100000685027 [2,0,0,0,0,0|1,0,1]=4 2030 B7R0.4 CNCCCC(=O)C 7a_106832991635_100011215641 [2,0,0,0,0,0|1,0,1]=4 2031 B7R0.4 CNCCNC(=O)C 2230a_100000209853_200000210301 [2,0,0,0,0,0|2,0,0]=4 2032 B7R0.4 CNCCNC(=O)C 2230a_106832991635_100000189650 [2,0,0,0,0,0|2,0,0]=4 2033 B7R0.4 CNCCNC(=O)C 7a_106832991635_100000189650 [2,0,0,0,0,0|2,0,0]=4 2034 B7R0.4 CNCCOC(=O)C 34a_100102657272_100009814007 [2,0,0,0,0,0|1,0,0]=3 2035 B7R0.4 CNCCOC(=O)C 7a_106832991635_100009814007 [2,0,0,0,0,0|1,0,0]=3 2036 B7R0.4 CNCCOC(=O)N 34a_100102657272_200011214921 [2,0,0,0,0,0|2,0,0]=4 2037 B7R0.4 CNCCOC(=O)N 7a_106832991635_200011214921 [2,0,0,0,0,0|2,0,0]=4 2038 B7R0.4 COCCCC(=O)C 1458a_100000070787_100000740836 [2,0,0,0,0,0|1,0,1]=4 2039 B7R0.4 COCCCC(=O)C 1458a_100000741012_200000210301 [2,0,0,0,0,0|1,0,1]=4 2040 B7R0.4 COCCCC(=O)C 34a_100000759063_200000210301 [2,0,0,0,0,0|1,0,1]=4 2041 B7R0.4 COCCCC(=O)C 34a_100138415774_100000685027 [2,0,0,0,0,0|1,0,1]=4 2042 B7R0.4 COCCCC(=O)C 7a_100000759063_200000210301 [2,0,0,0,0,0|1,0,1]=4 2043 B7R0.4 COCCCC(=O)[13CH3] 1458a_100000741012_200025704644 [2,0,0,0,0,0|1,0,1]=4 2044 B7R0.4 COCCNC(=O)C 1626a_100000209980_100015343762 [2,0,0,0,0,0|2,0,0]=4 2045 B7R0.4 COCCNC(=O)C 240690a_100000209980_100015343762 [2,0,0,0,0,0|2,0,0]=4 2046 B7R0.4 COCCNC(=O)C 34a_100000158858_200000210301 [2,0,0,0,0,0|2,0,0]=4 2047 B7R0.4 COCCNC(=O)C 527a_100000209980_100103153847 [2,0,0,0,0,0|2,0,0]=4 2048 B7R0.4 COCCOC(=O)C 34a_100138415774_100009814007 [2,0,0,0,0,0|1,0,0]=3 2049 B7R0.4 COCCOC(=O)N 34a_100138415774_200011214921 [2,0,0,0,0,0|2,0,0]=4 2050 B7R0.4 COCCOC(=O)N 7a_100000766696_200000210301 [2,0,0,0,0,0|2,0,0]=4 2051 B7R0.4 CSCCCC(=O)C 1458a_100000173376_200000210301 [2,0,0,0,0,0|1,0,1]=4 2052 B7R0.4 CSCCCC(=O)C 62a_100011215641_200000210301 [2,0,0,0,0,0|1,0,1]=4 2053 B7R0.4 CSCCCC(=O)C 62a_200000210301_100011215641 [2,0,0,0,0,0|1,0,1]=4 2054 B7R0.4 CSCCCC(=O)[13CH3] 1458a_100000173376_200025704644 [2,0,0,0,0,0|1,0,1]=4 2055 B7R0.4 CSCCNC(=O)C 11a_100020590264_100015343762 [2,0,0,0,0,0|2,0,0]=4 2056 B7R0.4 CSCCNC(=O)C 1626a_100020590264_100015343762 [2,0,0,0,0,0|2,0,0]=4 2057 B7R0.4 CSCCNC(=O)C 240690a_100020590264_100015343762 [2,0,0,0,0,0|2,0,0]=4 2058 B7R0.4 CSCCNC(=O)C 527a_100020590264_100103153847 [2,0,0,0,0,0|2,0,0]=4 2059 B7R0.4 CSCCNC(=O)C 62a_100000189650_200000210301 [2,0,0,0,0,0|2,0,0]=4 2060 B7R0.4 CSCCNC(=O)C 62a_200000210301_100000189650 [2,0,0,0,0,0|2,0,0]=4 2061 B7R0.4 CSCCOC(=O)C 62a_100009814007_200000210301 [2,0,0,0,0,0|1,0,0]=3 2062 B7R0.4 CSCCOC(=O)C 62a_200000210301_100009814007 [2,0,0,0,0,0|1,0,0]=3 2063 B7R0.4 CSCCOC(=O)N 62a_200000210301_200011214921 [2,0,0,0,0,0|2,0,0]=4 2064 B7R0.4 CSCCOC(=O)N 62a_200011214921_200000210301 [2,0,0,0,0,0|2,0,0]=4 2065 B7R0.4 [13CH3]C(=O)CCCCO 1458a_100000695505_200025704644 [2,0,0,0,0,0|1,0,1]=4 2066 B7R0.4 [13CH3]OCCOC(=O)N 7a_100000766696_200025704644 [2,0,0,0,0,0|2,0,0]=4 2067 B7R0.4 [13CH3]SCCOC(=O)N 62a_200011214921_200025704644 [2,0,0,0,0,0|2,0,0]=4 2068 B7R0.4 [13CH3]SCCOC(=O)N 62a_200025704644_200011214921 [2,0,0,0,0,0|2,0,0]=4 2069 B9R0.5 C=COCCC(=O)C=CC 1458a_100000210699_100000039644 [1,1,0,0,0,0|0,0,2]=4 2070 B9R0.5 C=COCCC(=O)CCC 1458a_100000211992_100000039644 [1,1,0,0,0,0|0,0,2]=4 2071 B9R0.5 CC=CC(=O)C/C=C\CC 1458a_100000210699_100103147603 [1,1,0,0,0,0|1,0,1]=4 2072 B9R0.5 CC=CC(=O)CCOCC 1458a_100000210699_100011215890 [1,1,0,0,0,0|0,0,2]=4 2073 B9R0.5 CCCC(=O)CCOCC 1458a_100000211992_100011215890 [1,1,0,0,0,0|0,0,2]=4 2074 B9R0.5 CCCC(=O)CCOCC 1458a_100000749530_100000210303 [1,1,0,0,0,0|0,0,2]=4 2075 B9R0.5 CCNC(=O)CCOCC 11a_100015525214_100000749530 [1,1,0,0,0,0|1,0,1]=4 2076 B9R0.5 CCNC(=O)CCOCC 240690a_100015525214_100000749530 [1,1,0,0,0,0|1,0,1]=4 2077 B9R0.5 CCNC(=O)CCOCC 527a_100015525214_100000749530 [1,1,0,0,0,0|1,0,1]=4 2078 B9R0.5 CCOCCC(=O)OCC 34a_100121572206_100000765890 [1,1,0,0,0,0|1,0,1]=4 2079 B9R0.18 C/C=C/CC(=O)C=CCC 1458a_100000212282_100102629194 [1,1,0,0,0,0|1,0,1]=4 2080 B9R0.18 CC=CCC(=O)C=CCC 1458a_100000212282_100000070051 [1,1,0,0,0,0|1,0,1]=4 2081 B9R0.45 C#CCOCC/C=C\CC 34a_100000210247_100015370543 [1,1,0,0,0,0|0,0,2]=4 2082 B9R0.45 C#CCOCC/C=C\CC 34a_100016288707_100000184674 [1,1,0,0,0,0|0,0,2]=4 2083 B9R0.45 C#CCOCC/C=C\CC 7a_100016288707_100000038162 [1,1,0,0,0,0|0,0,2]=4 2084 B9R0.45 C/C=C/C=C/COCC=O 34a_100016283227_200009817547 [1,1,0,0,0,0|0,0,2]=4 2085 B9R0.45 C/C=C/COC/C=C\CC 34a_100016268518_100102629194 [1,1,0,0,0,0|1,0,0]=3 2086 B9R0.45 C/C=C/COC/C=C\CC 34a_100016270725_100103147603 [1,1,0,0,0,0|1,0,0]=3 2087 B9R0.45 C/C=C/CSC/C=C\CC 62a_100102629194_100103147603 [1,1,0,0,0,0|1,0,0]=3 2088 B9R0.45 C/C=C/CSC/C=C\CC 62a_100103147603_100102629194 [1,1,0,0,0,0|1,0,0]=3 2089 B9R0.45 C=CCCC/C=C/COC 34a_200016268473_200000210301 [1,1,0,0,0,0|1,0,1]=4 2090 B9R0.45 C=CCCC/C=C/COC 7a_200016268473_200000210301 [1,1,0,0,0,0|1,0,1]=4 2091 B9R0.45 C=CCCC/C=C/CO[13CH3] 34a_200016268473_200025704644 [1,1,0,0,0,0|1,0,1]=4 2092 B9R0.45 C=CCCC/C=C/CO[13CH3] 7a_200016268473_200025704644 [1,1,0,0,0,0|1,0,1]=4 2093 B9R0.45 C=CCCNC/C=C\CC 2230a_100015191253_100103147603 [1,1,0,0,0,0|1,0,1]=4 2094 B9R0.45 C=CCCOC/C=C\CC 34a_100011205117_100103147603 [1,1,0,0,0,0|1,0,1]=4 2095 B9R0.45 C=CCCOC/C=C\CC 34a_100016268518_100000754431 [1,1,0,0,0,0|1,0,1]=4 2096 B9R0.45 C=CCCSC/C=C\CC 62a_100000754431_100103147603 [1,1,0,0,0,0|1,0,1]=4 2097 B9R0.45 C=CCCSC/C=C\CC 62a_100103147603_100000754431 [1,1,0,0,0,0|1,0,1]=4 2098 B9R0.45 C=CCNCC/C=C\CC 2230a_100020586998_100015370543 [1,1,0,0,0,0|1,0,1]=4 2099 B9R0.45 C=CCOCC/C=C\CC 34a_100016288707_100015514636 [1,1,0,0,0,0|0,0,1]=3 2100 B9R0.45 C=CCOCC/C=C\CC 34a_200000210373_100015370543 [1,1,0,0,0,0|0,0,1]=3 2101 B9R0.45 C=CCOCC/C=C\CC 7a_100016288707_100015514636 [1,1,0,0,0,0|0,0,1]=3 2102 B9R0.45 C=CCSCC/C=C\CC 62a_100000210623_100015370543 [1,1,0,0,0,0|0,1,1]=4 2103 B9R0.45 C=CCSCC/C=C\CC 62a_100015370543_100000210623 [1,1,0,0,0,0|0,1,1]=4 2104 B9R0.45 CC#CCNC/C=C\CC 2230a_100000685387_100103147603 [1,1,0,0,0,0|1,0,1]=4 2105 B9R0.45 CC#CCNC/C=C\CC 34a_100000685387_100103147603 [1,1,0,0,0,0|1,0,1]=4 2106 B9R0.45 CC#CCOC/C=C\CC 34a_100000761923_100103147603 [1,1,0,0,0,0|1,0,1]=4 2107 B9R0.45 CC#CCOC/C=C\CC 34a_100016268518_100000748600 [1,1,0,0,0,0|1,0,1]=4 2108 B9R0.45 CC#CCSC/C=C\CC 62a_100000748600_100103147603 [1,1,0,0,0,0|1,0,1]=4 2109 B9R0.45 CC#CCSC/C=C\CC 62a_100103147603_100000748600 [1,1,0,0,0,0|1,0,1]=4 2110 B9R0.45 CC/C=C/CCCOCC 34a_100016287902_100000210202 [1,1,0,0,0,0|0,0,1]=3 2111 B9R0.45 CC/C=C/CCCOCC 7a_100016287902_100000210202 [1,1,0,0,0,0|0,0,1]=3 2112 B9R0.45 CC/C=C/CCCOCF 34a_100016287902_100015361967 [1,1,0,0,0,0|1,0,1]=4 2113 B9R0.45 CC/C=C/CCCOCF 7a_100016287902_100015361967 [1,1,0,0,0,0|1,0,1]=4 2114 B9R0.45 CC/C=C\CCCCOC 34a_100016287862_200000210301 [1,1,0,0,0,0|1,0,1]=4 2115 B9R0.45 CC/C=C\CCCCOC 7a_100016287862_200000210301 [1,1,0,0,0,0|1,0,1]=4 2116 B9R0.45 CC/C=C\CCCCO[13CH3] 34a_100016287862_200025704644 [1,1,0,0,0,0|1,0,1]=4 2117 B9R0.45 CC/C=C\CCCCO[13CH3] 7a_100016287862_200025704644 [1,1,0,0,0,0|1,0,1]=4 2118 B9R0.45 CC/C=C\CCNCCF 34a_100000724931_100015370543 [1,1,0,0,0,0|1,0,1]=4 2119 B9R0.45 CC/C=C\CCNCCO 2230a_100016997473_100015370543 [1,1,0,0,0,0|1,0,1]=4 2120 B9R0.45 CC/C=C\CCNCCO 34a_100016990907_100015370543 [1,1,0,0,0,0|1,0,1]=4 2121 B9R0.45 CC/C=C\CCOCC#N 7a_100016288707_100011215382 [1,1,0,0,0,0|0,0,2]=4 2122 B9R0.45 CC/C=C\CCOCC=O 34a_100016288707_200009817547 [1,1,0,0,0,0|0,0,0]=2 2123 B9R0.45 CC/C=C\CCOCC=O 7a_100016288707_200015260668 [1,1,0,0,0,0|0,0,0]=2 2124 B9R0.45 CC/C=C\CCOCCBr 34a_100000211926_100015370543 [1,1,0,0,0,0|0,0,1]=3 2125 B9R0.45 CC/C=C\CCOCCC 34a_100000210258_100015370543 [1,1,0,0,0,0|0,0,1]=3 2126 B9R0.45 CC/C=C\CCOCCC 34a_100016288707_100000210303 [1,1,0,0,0,0|0,0,1]=3 2127 B9R0.45 CC/C=C\CCOCCC 7a_100016288707_100000210303 [1,1,0,0,0,0|0,0,1]=3 2128 B9R0.45 CC/C=C\CCOCCF 34a_100016288707_100011217306 [1,1,0,0,0,0|0,0,1]=3 2129 B9R0.45 CC/C=C\CCOCCF 7a_100016288707_100011217306 [1,1,0,0,0,0|0,0,1]=3 2130 B9R0.45 CC/C=C\CCOCCN 34a_100000210304_100015370543 [1,1,0,0,0,0|0,0,1]=3 2131 B9R0.45 CC/C=C\CCOCCO 34a_100016288707_100000211926 [1,1,0,0,0,0|0,0,1]=3 2132 B9R0.45 CC/C=C\CCOCCO 7a_100016288707_100000211926 [1,1,0,0,0,0|0,0,1]=3 2133 B9R0.45 CC/C=C\CCOCSC 34a_100016288707_100011218213 [1,1,0,0,0,0|0,0,1]=3 2134 B9R0.45 CC/C=C\CCSCC=O 62a_100015370543_200015260668 [1,1,0,0,0,0|0,1,0]=3 2135 B9R0.45 CC/C=C\CCSCC=O 62a_200015260668_100015370543 [1,1,0,0,0,0|0,1,0]=3 2136 B9R0.45 CC/C=C\CCSCCC 62a_100000210303_100015370543 [1,1,0,0,0,0|0,1,1]=4 2137 B9R0.45 CC/C=C\CCSCCC 62a_100015370543_100000210303 [1,1,0,0,0,0|0,1,1]=4 2138 B9R0.45 CC/C=C\CCSCCF 62a_100011217306_100015370543 [1,1,0,0,0,0|0,1,1]=4 2139 B9R0.45 CC/C=C\CCSCCF 62a_100015370543_100011217306 [1,1,0,0,0,0|0,1,1]=4 2140 B9R0.45 CC/C=C\CCSCCO 62a_100000211926_100015370543 [1,1,0,0,0,0|0,1,1]=4 2141 B9R0.45 CC/C=C\CCSCCO 62a_100015370543_100000211926 [1,1,0,0,0,0|0,1,1]=4 2142 B9R0.45 CC/C=C\CCSCOC 62a_100000766300_100015370543 [1,1,0,0,0,0|0,1,1]=4 2143 B9R0.45 CC/C=C\CCSCOC 62a_100015370543_100000766300 [1,1,0,0,0,0|0,1,1]=4 2144 B9R0.45 CC/C=C\CCSCSC 62a_100011218213_100015370543 [1,1,0,0,0,0|0,1,1]=4 2145 B9R0.45 CC/C=C\CCSCSC 62a_100015370543_100011218213 [1,1,0,0,0,0|0,1,1]=4 2146 B9R0.45 CC/C=C\CNCCCC 2230a_100000102301_100103147603 [1,1,0,0,0,0|1,0,1]=4 2147 B9R0.45 CC/C=C\CNCCCC 7a_106832991798_100103147603 [1,1,0,0,0,0|1,0,1]=4 2148 B9R0.45 CC/C=C\CNCCOC 2230a_100000209980_100103147603 [1,1,0,0,0,0|2,0,0]=4 2149 B9R0.45 CC/C=C\CNCCSC 2230a_100020590264_100103147603 [1,1,0,0,0,0|2,0,0]=4 2150 B9R0.45 CC/C=C\COCCCC 34a_100000210227_100103147603 [1,1,0,0,0,0|1,0,1]=4 2151 B9R0.45 CC/C=C\COCCCC 34a_100016268518_100000210210 [1,1,0,0,0,0|1,0,1]=4 2152 B9R0.45 CC/C=C\COCCCC 7a_100000210227_100103147603 [1,1,0,0,0,0|1,0,1]=4 2153 B9R0.45 CC/C=C\COCCOC 34a_100000210237_100103147603 [1,1,0,0,0,0|2,0,0]=4 2154 B9R0.45 CC/C=C\COCCOC 34a_100016268518_100011201679 [1,1,0,0,0,0|2,0,0]=4 2155 B9R0.45 CC/C=C\COCCSC 34a_100000230434_100103147603 [1,1,0,0,0,0|2,0,0]=4 2156 B9R0.45 CC/C=C\COCCSC 34a_100016268518_100000212216 [1,1,0,0,0,0|2,0,0]=4 2157 B9R0.45 CC/C=C\COCCSC 7a_100000230434_100103147603 [1,1,0,0,0,0|2,0,0]=4 2158 B9R0.45 CC/C=C\CSCCCC 62a_100000210211_100103147603 [1,1,0,0,0,0|1,0,1]=4 2159 B9R0.45 CC/C=C\CSCCCC 62a_100103147603_100000210210 [1,1,0,0,0,0|1,0,1]=4 2160 B9R0.45 CC/C=C\CSCCOC 62a_100000233755_100103147603 [1,1,0,0,0,0|2,0,0]=4 2161 B9R0.45 CC/C=C\CSCCOC 62a_100103147603_100000233755 [1,1,0,0,0,0|2,0,0]=4 2162 B9R0.45 CC/C=C\CSCCSC 62a_100000212216_100103147603 [1,1,0,0,0,0|2,0,0]=4 2163 B9R0.45 CC/C=C\CSCCSC 62a_100103147603_100000751147 [1,1,0,0,0,0|2,0,0]=4 2164 B9R0.45 CC/C=C\CSCOCC 62a_100000739092_100103147603 [1,1,0,0,0,0|0,0,1]=3 2165 B9R0.45 CC/C=C\CSCOCC 62a_100103147603_100000739092 [1,1,0,0,0,0|0,0,1]=3 2166 B9R0.45 CC=C=CCCOCC=O 34a_100011020354_200009817547 [1,1,0,0,0,0|0,0,2]=4 2167 B9R0.45 CC=CCCCOCC=O 34a_100020645299_200009817547 [1,1,0,0,0,0|0,0,2]=4 2168 B9R0.45 CC=CCOC/C=C\CC 34a_100016268518_100000070051 [1,1,0,0,0,0|1,0,0]=3 2169 B9R0.45 CC=CCSC/C=C\CC 62a_100000070051_100103147603 [1,1,0,0,0,0|1,0,0]=3 2170 B9R0.45 CC=CCSC/C=C\CC 62a_100103147603_100000070051 [1,1,0,0,0,0|1,0,0]=3 2171 B9R0.45 CCC#CCCOCC=O 34a_100000036655_200009817547 [1,1,0,0,0,0|0,0,2]=4 2172 B9R0.45 CCC#CCCOCC=O 7a_100000036655_200015260668 [1,1,0,0,0,0|0,0,2]=4 2173 B9R0.45 CCC/C=C/COCC=O 34a_100016278788_200009817547 [1,1,0,0,0,0|0,0,2]=4 2174 B9R0.45 CCC/C=C/COCC=O 7a_100016278788_200015260668 [1,1,0,0,0,0|0,0,2]=4 2175 B9R0.45 CCC=NNCCOCC 4a_100000732670_100000210100 [1,1,0,0,0,0|1,0,1]=4 2176 B9R0.45 CCCCC/C=C/COC 34a_100016258190_200000210301 [1,1,0,0,0,0|1,0,1]=4 2177 B9R0.45 CCCCC/C=C/COC 7a_100016258190_200000210301 [1,1,0,0,0,0|1,0,1]=4 2178 B9R0.45 CCCCC/C=C/CO[13CH3] 34a_100016258190_200025704644 [1,1,0,0,0,0|1,0,1]=4 2179 B9R0.45 CCCCC/C=C/CO[13CH3] 7a_100016258190_200025704644 [1,1,0,0,0,0|1,0,1]=4 2180 B9R0.45 CCCCCCOCC=O 34a_100000210259_200009817547 [1,1,0,0,0,0|0,0,2]=4 2181 B9R0.45 CCCCCCOCC=O 7a_100000210259_200015260668 [1,1,0,0,0,0|0,0,2]=4 2182 B9R0.45 CCCOCCOCC=O 34a_100000752267_200009817547 [1,1,0,0,0,0|1,0,1]=4 2183 B9R0.45 CCCOCCOCC=O 7a_100000752267_200015260668 [1,1,0,0,0,0|1,0,1]=4 2184 B9R0.45 CCCSCCOCC=O 34a_200000230433_200009817547 [1,1,0,0,0,0|1,0,1]=4 2185 B9R0.45 CCCSCCOCC=O 7a_200000230433_200015260668 [1,1,0,0,0,0|1,0,1]=4 2186 B9R0.45 CCOCCCOCC=O 34a_100000757476_200009817547 [1,1,0,0,0,0|1,0,1]=4 2187 B9R0.45 CCOCCCOCC=O 7a_100000757476_200015260668 [1,1,0,0,0,0|1,0,1]=4 2188 B9R0.45 CCSCCCOCC=O 34a_100011216438_200009817547 [1,1,0,0,0,0|1,0,1]=4 2189 B9R0.45 CCSCCCOCC=O 7a_100011216438_200015260668 [1,1,0,0,0,0|1,0,1]=4 2190 B9R0.46 C=CC(=O)CC/C=C\CC 1458a_100000185746_100015370543 [1,1,0,0,0,0|1,0,1]=4 2191 B9R0.46 CC/C=C\CCC(=O)CC 1458a_100000210414_100015370543 [1,1,0,0,0,0|1,0,1]=4 2192 B9R0.46 CC/C=C\CCN(C)CC 2230a_100000225621_100015370543 [1,1,0,0,0,0|1,0,1]=4 2193 B9R0.46 CC/C=C\CCN(C)CC 269982a_100000225621_100015370543 [1,1,0,0,0,0|1,0,1]=4 2194 B9R0.46 CCOCCCC(=O)CC 1458a_100000210414_100012232248 [1,1,0,0,0,0|0,0,2]=4 2195 B9R0.46 CCOCCNC(=O)CC 11a_100011200944_100000210414 [1,1,0,0,0,0|1,0,1]=4 2196 B9R0.46 CCOCCNC(=O)CC 1626a_102516460346_100000210414 [1,1,0,0,0,0|1,0,1]=4 2197 B9R0.46 CCOCCNC(=O)CC 240690a_100011200944_100000210414 [1,1,0,0,0,0|1,0,1]=4 2198 B9R0.46 CCOCCNC(=O)CC 34a_200000158885_100000210202 [1,1,0,0,0,0|1,0,1]=4 2199 B9R0.46 CCOCCNC(=O)CC 527a_100011200944_100000210414 [1,1,0,0,0,0|1,0,1]=4 2200 B9R0.46 CCOCCNC(=O)CC 7a_200000158885_100000210202 [1,1,0,0,0,0|1,0,1]=4 2201 B9R0.46 CCOCCOC(=O)CC 7a_200000031056_100000210202 [1,1,0,0,0,0|1,0,1]=4 2202 B9R0.1 C#CC(=O)CCOC(=O)C 1458a_100000211873_100009814007 [1,1,0,0,0,0|0,0,2]=4 2203 B9R0.1 C=CC(=O)CCCC(=O)C 1458a_100000185746_100011215641 [1,1,0,0,0,0|1,0,1]=4 2204 B9R0.1 C=CC(=O)CCNC(=O)C 1458a_100000185746_100000189650 [1,1,0,0,0,0|1,0,1]=4 2205 B9R0.1 C=CC(=O)CCOC(=O)C 1458a_100000185746_100009814007 [1,1,0,0,0,0|0,0,1]=3 2206 B9R0.1 C=CC(=O)CCOC(=O)N 1458a_100000185746_200011214921 [1,1,0,0,0,0|1,0,1]=4 2207 B9R0.1 CC(=O)CCCC(=O)CO 1458a_100000210174_100011215641 [1,1,0,0,0,0|1,0,1]=4 2208 B9R0.1 CC(=O)NCCC(=O)CF 1458a_100000183196_100015361967 [1,1,0,0,0,0|2,0,0]=4 2209 B9R0.1 CC(=O)NCCC(=O)CO 1458a_100000210174_100000189650 [1,1,0,0,0,0|2,0,0]=4 2210 B9R0.1 CC(=O)OCCC(=O)CO 1458a_100000210174_100009814007 [1,1,0,0,0,0|1,0,0]=3 2211 B9R0.1 CC(=O)SCCC(=O)CF 1458a_100000048949_100015361967 [1,1,0,0,0,0|1,1,0]=4 2212 B9R0.1 CCC(=O)CCC=C(C)C 1458a_100000210414_100011217483 [1,1,0,0,0,0|2,0,0]=4 2213 B9R0.1 CCC(=O)CCCC(=O)C 1458a_100000210414_100011215641 [1,1,0,0,0,0|0,0,1]=3 2214 B9R0.1 CCC(=O)CCCC(=O)N 1458a_100000210414_100102525003 [1,1,0,0,0,0|1,0,1]=4 2215 B9R0.1 CCC(=O)CCNC(=O)C 1458a_100000183196_100000210202 [1,1,0,0,0,0|1,0,0]=3 2216 B9R0.1 CCC(=O)CCNC(=O)C 1458a_100000210414_100000189650 [1,1,0,0,0,0|1,0,0]=3 2217 B9R0.1 CCC(=O)CCNC(=O)N 1458a_100000181464_100000210202 [1,1,0,0,0,0|2,0,0]=4 2218 B9R0.1 CCC(=O)CCNC(=O)N 1458a_100000210414_200000034859 [1,1,0,0,0,0|2,0,0]=4 2219 B9R0.1 CCC(=O)CCOC(=O)C 1458a_100000210414_100009814007 [1,1,0,0,0,0|0,0,0]=2 2220 B9R0.1 CCC(=O)CCOC(=O)N 1458a_100000210414_200011214921 [1,1,0,0,0,0|1,0,0]=3 2221 B9R0.1 CCC(=O)CCOC(C)C 1458a_100000210414_100000211751 [1,1,0,0,0,0|1,0,1]=4 2222 B9R0.1 CCC(=O)CCSC(=O)C 1458a_100000048949_100000210202 [1,1,0,0,0,0|0,1,0]=3 2223 B9R0.1 CCC(=O)NCCC(=O)N 11a_100000740010_100000210414 [1,1,0,0,0,0|2,0,0]=4 2224 B9R0.1 CCC(=O)NCCC(=O)N 240690a_100000740010_100000210414 [1,1,0,0,0,0|2,0,0]=4 2225 B9R0.1 CCC(=O)NCCC(=O)N 527a_100000740010_100000210414 [1,1,0,0,0,0|2,0,0]=4 2226 B9R0.1 CCC(C)CCNC(=O)C 11a_100020591266_100015343762 [1,1,0,0,0,0|1,0,1]=4 2227 B9R0.1 CCC(C)CCNC(=O)C 1626a_100020591266_100015343762 [1,1,0,0,0,0|1,0,1]=4 2228 B9R0.1 CCC(C)CCNC(=O)C 240690a_100020591266_100015343762 [1,1,0,0,0,0|1,0,1]=4 2229 B9R0.1 CCC(C)CCNC(=O)C 527a_100020591266_100103153847 [1,1,0,0,0,0|1,0,1]=4 2230 B9R0.1 CCC(C)OCCC(=O)C 34a_100000759926_100011215416 [1,1,0,0,0,0|1,0,1]=4 2231 B9R0.1 CCC(C)OCCC(=O)C 7a_100000210228_100000053229 [1,1,0,0,0,0|1,0,1]=4 2232 B9R0.1 CCC(C)OCCC(=O)C 7a_100000759926_100000758301 [1,1,0,0,0,0|1,0,1]=4 2233 B9R0.1 CCC(C)SCCC(=O)C 62a_100000053229_100000758301 [1,1,0,0,0,0|1,0,1]=4 2234 B9R0.1 CCC(C)SCCC(=O)C 62a_100000758301_100000053229 [1,1,0,0,0,0|1,0,1]=4 2235 B9R0.1 CCC(C)SCOC(=O)C 62a_100000076356_100000758301 [1,1,0,0,0,0|1,0,1]=4 2236 B9R0.1 CCC(C)SCOC(=O)C 62a_100000758301_100000076356 [1,1,0,0,0,0|1,0,1]=4 2237 B9R0.1 CCN(C)CCCC(=O)C 1458a_100000070787_100015186262 [1,1,0,0,0,0|1,0,1]=4 2238 B9R0.1 CCN(C)CCCC(=O)C 269982a_100000225621_100011215641 [1,1,0,0,0,0|1,0,1]=4 2239 B9R0.1 CCN(C)CCNC(=O)C 2230a_100000225621_100000189650 [1,1,0,0,0,0|2,0,0]=4 2240 B9R0.1 CCN(C)CCNC(=O)C 269982a_100000225621_100000189650 [1,1,0,0,0,0|2,0,0]=4 2241 B9R0.1 CCN(C)CCOC(=O)C 269982a_100000225621_100009814007 [1,1,0,0,0,0|1,0,0]=3 2242 B9R0.1 CCN(C)CCOC(=O)N 269982a_100000225621_200011214921 [1,1,0,0,0,0|2,0,0]=4 2243 B9R0.1 CNC(=O)CCCC(=O)C 1458a_100000070787_100000741757 [1,1,0,0,0,0|1,0,1]=4 2244 B9R0.1 CNC(=O)CCNC(=O)C 11a_100000738227_100015343762 [1,1,0,0,0,0|2,0,0]=4 2245 B9R0.1 CNC(=O)CCNC(=O)C 11a_106832991635_100000183196 [1,1,0,0,0,0|2,0,0]=4 2246 B9R0.1 CNC(=O)CCNC(=O)C 1626a_100102657272_100000183196 [1,1,0,0,0,0|2,0,0]=4 2247 B9R0.1 CNC(=O)CCNC(=O)C 240690a_100000738227_100015343762 [1,1,0,0,0,0|2,0,0]=4 2248 B9R0.1 CNC(=O)CCNC(=O)C 240690a_100102657272_100000183196 [1,1,0,0,0,0|2,0,0]=4 2249 B9R0.1 CNC(=O)CCNC(=O)C 527a_100000738227_100103153847 [1,1,0,0,0,0|2,0,0]=4 2250 B9R0.1 CNC(=O)CCNC(=O)C 527a_100102657272_100000183196 [1,1,0,0,0,0|2,0,0]=4 2251 B9R0.1 CNC(=O)CCSC(=O)C 1626a_100102657272_100000048949 [1,1,0,0,0,0|1,1,0]=4 2252 B9R0.1 CNC(=O)CCSC(=O)C 240690a_100102657272_100000048949 [1,1,0,0,0,0|1,1,0]=4 2253 B9R0.1 CNC(=O)OCCC(=O)C 1458a_100000070787_200011997002 [1,1,0,0,0,0|2,0,0]=4 2254 B9R0.1 COC(=O)CCCC(=O)C 1458a_100000070787_100011218270 [1,1,0,0,0,0|1,0,1]=4 2255 B9R0.1 COC(=O)CCCC(=O)C 1458a_100000239890_200000210301 [1,1,0,0,0,0|1,0,1]=4 2256 B9R0.1 COC(=O)CCCC(=O)[13CH3] 1458a_100000239890_200025704644 [1,1,0,0,0,0|1,0,1]=4 2257 B9R0.1 COC(=O)CCNC(=O)C 188690a_100000683876_100015343762 [1,1,0,0,0,0|2,0,0]=4 2258 B9R0.1 NC(=O)OCCC(=O)CO 1458a_100000210174_200011214921 [1,1,0,0,0,0|2,0,0]=4 2259 B9R0.4 C=C(C)CC(=O)C=CCC 1458a_100000212282_100000748629 [1,1,0,0,0,0|1,0,1]=4 2260 B9R0.4 CCC=CC(=O)CC(=O)N 1458a_100000212282_100000187820 [1,1,0,0,0,0|1,0,1]=4 2261 B9R0.4 CCC=CC(=O)CC(=O)[O-] 1458a_100000212282_100020667443 [1,1,0,0,0,0|1,0,1]=4 2262 B9R0.4 CCCCC(C)NC(=O)C 11a_100000126638_100015343762 [1,1,0,0,0,0|1,0,1]=4 2263 B9R0.4 CCCCC(C)NC(=O)C 1626a_100000126638_100015343762 [1,1,0,0,0,0|1,0,1]=4 2264 B9R0.4 CCCCC(C)NC(=O)C 240690a_100000126638_100015343762 [1,1,0,0,0,0|1,0,1]=4 2265 B9R0.4 CCCCC(C)NC(=O)C 527a_100000126638_100103153847 [1,1,0,0,0,0|1,0,1]=4 2266 B9R0.4 CCCSC(C)OC(=O)C 62a_100000210303_100009818208 [1,1,0,0,0,0|1,0,1]=4 2267 B9R0.4 CCCSC(C)OC(=O)C 62a_100009818208_100000210303 [1,1,0,0,0,0|1,0,1]=4 2268 B9R0.38 C/C=C/CCOC(C)(C)C 34a_100016278192_100000210625 [1,1,0,0,0,0|1,0,1]=4 2269 B9R0.38 CC/C=C\COC(C)(C)C 34a_100015890283_100103147603 [1,1,0,0,0,0|1,0,1]=4 2270 B9R0.38 CC/C=C\COC(C)(C)C 34a_100016268518_100000210625 [1,1,0,0,0,0|1,0,1]=4 2271 B9R0.38 CC/C=C\COC(C)(C)C 7a_100015890283_100103147603 [1,1,0,0,0,0|1,0,1]=4 2272 B9R0.38 CCNCCOS(=O)(=O)C 2230a_100015525214_200000036756 [1,1,0,0,0,0|2,0,0]=4 2273 B9R0.38 CCOCCOS(=O)(=O)C 34a_100121572206_200000036756 [1,1,0,0,0,0|2,0,0]=4 2274 B9R0.38 CCSCCOS(=O)(=O)C 62a_100000210202_200000036756 [1,1,0,0,0,0|2,0,0]=4 2275 B9R0.38 CCSCCOS(=O)(=O)C 62a_200000036756_100000210202 [1,1,0,0,0,0|2,0,0]=4 2276 B9R0.47 C/C=C/COC(C)C(=O)C 34a_100000212229_100102629194 [1,1,0,0,0,0|2,0,0]=4 2277 B9R0.47 C/C=C/CSC(C)C(=O)C 62a_100009814033_100102629194 [1,1,0,0,0,0|2,0,0]=4 2278 B9R0.47 C/C=C/CSC(C)C(=O)C 62a_100102629194_100009814033 [1,1,0,0,0,0|2,0,0]=4 2279 B9R0.47 C=C(C)C(=O)C/C=C\CC 1458a_100000185857_100103147603 [1,1,0,0,0,0|1,0,1]=4 2280 B9R0.47 CC=CCOC(C)C(=O)C 34a_100000212229_100000070051 [1,1,0,0,0,0|2,0,0]=4 2281 B9R0.47 CC=CCSC(C)C(=O)C 62a_100000070051_100009814033 [1,1,0,0,0,0|2,0,0]=4 2282 B9R0.47 CC=CCSC(C)C(=O)C 62a_100009814033_100000070051 [1,1,0,0,0,0|2,0,0]=4 2283 B9R0.47 CCCCCC(C)C(=O)C 1458a_100000070787_200011218191 [1,1,0,0,0,0|0,0,2]=4 2284 B9R0.47 CCCCCC(C)C(=O)C 1458a_100011215998_200000210301 [1,1,0,0,0,0|0,0,2]=4 2285 B9R0.47 CCCCCC(C)C(=O)[13CH3] 1458a_100011215998_200025704644 [1,1,0,0,0,0|0,0,2]=4 2286 B9R0.47 CCCCCN(C)C(=O)C 11a_100000223495_100015343762 [1,1,0,0,0,0|1,0,1]=4 2287 B9R0.47 CCCCCN(C)C(=O)C 1626a_100000223495_100015343762 [1,1,0,0,0,0|1,0,1]=4 2288 B9R0.47 CCCCCN(C)C(=O)C 240690a_100000223495_100015343762 [1,1,0,0,0,0|1,0,1]=4 2289 B9R0.47 CCCCCN(C)C(=O)C 527a_100000223495_100103153847 [1,1,0,0,0,0|1,0,1]=4 2290 B9R0.47 CCCOCC(C)C(=O)C 34a_100000032740_100000210303 [1,1,0,0,0,0|1,0,1]=4 2291 B9R0.47 CCCOCC(C)C(=O)C 7a_100000032740_100000210303 [1,1,0,0,0,0|1,0,1]=4 2292 B9R0.48 C=C(C)CCC(=O)C=CC 1458a_100000210699_100000730704 [1,1,0,0,0,0|1,0,1]=4 2293 B9R0.48 C=C(C)CCC(=O)CCC 1458a_100000211992_100000730704 [1,1,0,0,0,0|1,0,1]=4 2294 B9R0.48 C=C(C)CCC(=O)CCC 1458a_200000688413_100000210303 [1,1,0,0,0,0|1,0,1]=4 2295 B9R0.48 C=C(C)CCC(=O)NCC 11a_100015525214_200000688413 [1,1,0,0,0,0|2,0,0]=4 2296 B9R0.48 C=C(C)CCC(=O)NCC 240690a_100015525214_200000688413 [1,1,0,0,0,0|2,0,0]=4 2297 B9R0.48 C=C(C)CCC(=O)NCC 527a_100015525214_200000688413 [1,1,0,0,0,0|2,0,0]=4 2298 B9R0.48 CC(=O)OCC(=O)CCF 1458a_100000183556_100011217306 [1,1,0,0,0,0|1,0,1]=4 2299 B9R0.48 CC(=O)OCC(=O)CCO 1458a_100000183556_100000211926 [1,1,0,0,0,0|1,0,1]=4 2300 B9R0.48 CC(=O)OCC(=O)CS[13CH3] 62a_100000036994_200025704644 [1,1,0,0,0,0|1,0,1]=4 2301 B9R0.48 CC(=O)OCC(=O)CS[13CH3] 62a_200025704644_100000036994 [1,1,0,0,0,0|1,0,1]=4 2302 B9R0.48 CC(=O)OCC(O)CS[13CH3] 62a_200000139349_200025704644 [1,1,0,0,0,0|1,0,1]=4 2303 B9R0.48 CC(=O)OCC(O)CS[13CH3] 62a_200025704644_200000139349 [1,1,0,0,0,0|1,0,1]=4 2304 B9R0.48 CCCC(=O)CCC(=O)N 1458a_100011215257_100000210303 [1,1,0,0,0,0|1,0,1]=4 2305 B9R0.48 CCCC(=O)CNC(=O)C 1458a_100000194580_100000210303 [1,1,0,0,0,0|1,0,1]=4 2306 B9R0.48 CCCC(=O)COC(=O)C 1458a_100000183556_100000210303 [1,1,0,0,0,0|0,0,1]=3 2307 B9R0.48 CCCC(=O)CSC(=O)C 1458a_100000049016_100000210303 [1,1,0,0,0,0|0,1,1]=4 2308 B9R0.48 CCCC(=O)OCC(=O)C 1458a_100000070787_100000034017 [1,1,0,0,0,0|1,0,1]=4 2309 B9R0.48 CCCN(C)CCC(=O)C 269982a_100000747261_100000053229 [1,1,0,0,0,0|1,0,1]=4 2310 B9R0.48 CCCN(C)COC(=O)C 269982a_100000747261_100000076356 [1,1,0,0,0,0|1,0,1]=4 2311 B9R0.48 CCNC(=O)CCC(=O)C 1458a_100000199579_200000210301 [1,1,0,0,0,0|1,0,0]=3 2312 B9R0.48 CCNC(=O)CCC(=O)N 240690a_100015525214_100011215257 [1,1,0,0,0,0|2,0,0]=4 2313 B9R0.48 CCNC(=O)CCC(=O)N 527a_100015525214_100011215257 [1,1,0,0,0,0|2,0,0]=4 2314 B9R0.48 CCNC(=O)CCC(=O)[13CH3] 1458a_100000199579_200025704644 [1,1,0,0,0,0|1,0,0]=3 2315 B9R0.48 CCNC(=O)CNC(=O)C 11a_100015525214_100000194580 [1,1,0,0,0,0|2,0,0]=4 2316 B9R0.48 CCNC(=O)CNC(=O)C 11a_100016988866_100015343762 [1,1,0,0,0,0|2,0,0]=4 2317 B9R0.48 CCNC(=O)CNC(=O)C 1626a_100016988866_100015343762 [1,1,0,0,0,0|2,0,0]=4 2318 B9R0.48 CCNC(=O)CNC(=O)C 240690a_100015525214_100000194580 [1,1,0,0,0,0|2,0,0]=4 2319 B9R0.48 CCNC(=O)CNC(=O)C 240690a_100016988866_100015343762 [1,1,0,0,0,0|2,0,0]=4 2320 B9R0.48 CCNC(=O)CNC(=O)C 527a_100015525214_100000194580 [1,1,0,0,0,0|2,0,0]=4 2321 B9R0.48 CCNC(=O)CNC(=O)C 527a_100016988866_100103153847 [1,1,0,0,0,0|2,0,0]=4 2322 B9R0.48 CCNC(=O)COC(=O)C 240690a_100015525214_100000183556 [1,1,0,0,0,0|1,0,0]=3 2323 B9R0.48 CCNC(=O)COC(=O)C 527a_100015525214_100000183556 [1,1,0,0,0,0|1,0,0]=3 2324 B9R0.48 CCNC(=O)CSC(=O)C 11a_100015525214_100000049016 [1,1,0,0,0,0|1,1,0]=4 2325 B9R0.48 CCNC(=O)CSC(=O)C 240690a_100015525214_100000049016 [1,1,0,0,0,0|1,1,0]=4 2326 B9R0.48 CCNC(C)COC(=O)C 270004a_100015525214_100000000629 [1,1,0,0,0,0|1,0,0]=3 2327 B9R0.48 CCOC(=O)CCC(=O)C 1458a_100000183558_200000210301 [1,1,0,0,0,0|1,0,0]=3 2328 B9R0.48 CCOC(=O)CCC(=O)[13CH3] 1458a_100000183558_200025704644 [1,1,0,0,0,0|1,0,0]=3 2329 B9R0.48 CCOC(=O)CNC(=O)C 188690a_100000741813_100015343762 [1,1,0,0,0,0|2,0,0]=4 2330 B9R0.48 CCOC(=O)NCC(=O)C 1458a_100000190774_200000210301 [1,1,0,0,0,0|2,0,0]=4 2331 B9R0.48 CCOC(=O)NCC(=O)[13CH3] 1458a_100000190774_200025704644 [1,1,0,0,0,0|2,0,0]=4 2332 B9R0.48 CNCC(=O)COC(=O)C 34a_100102657272_100000036994 [1,1,0,0,0,0|1,0,1]=4 2333 B9R0.48 CNCC(O)COC(=O)C 34a_100102657272_200000139349 [1,1,0,0,0,0|1,0,1]=4 2334 B9R0.48 CNCC(O)COC(=O)C 7a_106832991635_200000139349 [1,1,0,0,0,0|1,0,1]=4 2335 B9R0.48 CNNC(=O)COC(=O)C 22a_100016993582_100000183556 [1,1,0,0,0,0|2,0,0]=4 2336 B9R0.48 COCC(=O)COC(=O)C 34a_100138415774_100000036994 [1,1,0,0,0,0|1,0,1]=4 2337 B9R0.48 COCC(O)COC(=O)C 34a_100138415774_200000139349 [1,1,0,0,0,0|1,0,1]=4 2338 B9R0.48 CSCC(=O)COC(=O)C 62a_100000036994_200000210301 [1,1,0,0,0,0|1,0,1]=4 2339 B9R0.48 CSCC(=O)COC(=O)C 62a_200000210301_100000036994 [1,1,0,0,0,0|1,0,1]=4 2340 B9R0.48 CSCC(O)COC(=O)C 62a_200000139349_200000210301 [1,1,0,0,0,0|1,0,1]=4 2341 B9R0.48 CSCC(O)COC(=O)C 62a_200000210301_200000139349 [1,1,0,0,0,0|1,0,1]=4 2342 B9R0.55 C=C(C)COCOC(=O)C 34a_100000210245_100009813279 [1,1,0,0,0,0|1,0,1]=4 2343 B9R0.55 C=C(C)CSCOC(=O)C 62a_100000076356_100000211660 [1,1,0,0,0,0|1,0,1]=4 2344 B9R0.55 C=C(C)CSCOC(=O)C 62a_100000748629_100000076356 [1,1,0,0,0,0|1,0,1]=4 2345 B9R0.55 CC(=CCCOC(C)C)C 34a_100000212225_100011217483 [1,1,0,0,0,0|1,0,1]=4 2346 B9R0.55 CC(=O)CCCCC(=O)C 1458a_100000070787_100000735457 [1,1,0,0,0,0|1,0,1]=4 2347 B9R0.55 CC(=O)CCCCC(C)C 1458a_100000070787_100011216152 [1,1,0,0,0,0|0,0,2]=4 2348 B9R0.55 CC(=O)CCCCC(C)C 1458a_100011933920_200000210301 [1,1,0,0,0,0|0,0,2]=4 2349 B9R0.55 CC(=O)CCCNC(=O)C 1458a_100000194741_200000210301 [1,1,0,0,0,0|1,0,1]=4 2350 B9R0.55 CC(=O)CCCNC(C)C 34a_100138425928_100000685027 [1,1,0,0,0,0|1,0,1]=4 2351 B9R0.55 CC(=O)CCCOC(=O)C 1458a_100000070787_100000042594 [1,1,0,0,0,0|0,0,1]=3 2352 B9R0.55 CC(=O)CCCOC(=S)C 1458a_100000070787_200135323944 [1,1,0,0,0,0|0,1,1]=4 2353 B9R0.55 CC(=O)CCCOC(C)C 34a_100000212225_100000685027 [1,1,0,0,0,0|1,0,1]=4 2354 B9R0.55 CC(=O)CCCOC(C)C 34a_100000759063_100000210206 [1,1,0,0,0,0|1,0,1]=4 2355 B9R0.55 CC(=O)CCCOC(C)C 7a_100000759063_100000210206 [1,1,0,0,0,0|1,0,1]=4 2356 B9R0.55 CC(=O)CCCSC(=O)C 1458a_100000070787_100000038929 [1,1,0,0,0,0|0,1,1]=4 2357 B9R0.55 CC(=O)CCCSC(C)C 62a_100000210206_100011215641 [1,1,0,0,0,0|1,0,1]=4 2358 B9R0.55 CC(=O)CCCSC(C)C 62a_100011215641_100000210206 [1,1,0,0,0,0|1,0,1]=4 2359 B9R0.55 CC(=O)CCOCC(C)C 34a_100000759926_100000210624 [1,1,0,0,0,0|1,0,1]=4 2360 B9R0.55 CC(=O)CCOCC(C)C 7a_100000759926_100000210760 [1,1,0,0,0,0|1,0,1]=4 2361 B9R0.55 CC(=O)CCOCC(C)O 34a_100000759926_100011218427 [1,1,0,0,0,0|1,0,1]=4 2362 B9R0.55 CC(=O)CCOCC(C)O 7a_100000759926_100011218427 [1,1,0,0,0,0|1,0,1]=4 2363 B9R0.55 CC(=O)CCOC[C@@H](C)O 34a_100000759926_100009817552 [1,1,0,0,0,0|1,0,1]=4 2364 B9R0.55 CC(=O)CCOC[C@@H](C)O 7a_100000759926_100009817552 [1,1,0,0,0,0|1,0,1]=4 2365 B9R0.55 CC(=O)CCSCC(C)C 62a_100000053229_100000210760 [1,1,0,0,0,0|1,0,1]=4 2366 B9R0.55 CC(=O)CCSCC(C)C 62a_100000210624_100000053229 [1,1,0,0,0,0|1,0,1]=4 2367 B9R0.55 CC(=O)CCSCC(C)O 62a_100000053229_100011218427 [1,1,0,0,0,0|1,0,1]=4 2368 B9R0.55 CC(=O)CCSCC(C)O 62a_100011218427_100000053229 [1,1,0,0,0,0|1,0,1]=4 2369 B9R0.55 CC(=O)CCSC[C@@H](C)O 62a_100000053229_100009817552 [1,1,0,0,0,0|1,0,1]=4 2370 B9R0.55 CC(=O)CCSC[C@@H](C)O 62a_100009817552_100000053229 [1,1,0,0,0,0|1,0,1]=4 2371 B9R0.55 CC(=O)COCC=C(C)C 34a_100000211253_100000761012 [1,1,0,0,0,0|2,0,0]=4 2372 B9R0.55 CC(=O)COCOC(=O)C 34a_100000211253_100009813279 [1,1,0,0,0,0|1,0,1]=4 2373 B9R0.55 CC(=O)NCCCC(=O)[13CH3] 1458a_100000194741_200025704644 [1,1,0,0,0,0|1,0,1]=4 2374 B9R0.55 CC(=O)NCCCC(C)C 11a_200000737386_100015343762 [1,1,0,0,0,0|1,0,1]=4 2375 B9R0.55 CC(=O)NCCCC(C)C 1626a_200000737386_100015343762 [1,1,0,0,0,0|1,0,1]=4 2376 B9R0.55 CC(=O)NCCCC(C)C 240690a_200000737386_100015343762 [1,1,0,0,0,0|1,0,1]=4 2377 B9R0.55 CC(=O)NCCCC(C)C 527a_200000737386_100103153847 [1,1,0,0,0,0|1,0,1]=4 2378 B9R0.55 CC(=O)NCCNC(=O)C 240690a_100000209853_100015343762 [1,1,0,0,0,0|2,0,0]=4 2379 B9R0.55 CC(=O)NCCNC(=O)C 527a_100000209853_100103153847 [1,1,0,0,0,0|2,0,0]=4 2380 B9R0.55 CC(=O)NCCNC(C)C 2230a_100000209853_100000210206 [1,1,0,0,0,0|2,0,0]=4 2381 B9R0.55 CC(=O)NCCNC(C)C 2230a_100138425928_100000189650 [1,1,0,0,0,0|2,0,0]=4 2382 B9R0.55 CC(=O)NCCOC(=O)C 11a_100000724843_100015343762 [1,1,0,0,0,0|1,0,0]=3 2383 B9R0.55 CC(=O)NCCOC(=O)C 240690a_100000724843_100015343762 [1,1,0,0,0,0|1,0,0]=3 2384 B9R0.55 CC(=O)NCCOC(=O)C 527a_100000724843_100103153847 [1,1,0,0,0,0|1,0,0]=3 2385 B9R0.55 CC(=O)NCCOC(C)C 11a_100000701111_100015343762 [1,1,0,0,0,0|2,0,0]=4 2386 B9R0.55 CC(=O)NCCOC(C)C 1626a_100000701111_100015343762 [1,1,0,0,0,0|2,0,0]=4 2387 B9R0.55 CC(=O)NCCOC(C)C 240690a_100000701111_100015343762 [1,1,0,0,0,0|2,0,0]=4 2388 B9R0.55 CC(=O)NCCOC(C)C 34a_100000158858_100000210206 [1,1,0,0,0,0|2,0,0]=4 2389 B9R0.55 CC(=O)NCCOC(C)C 527a_100000701111_100103153847 [1,1,0,0,0,0|2,0,0]=4 2390 B9R0.55 CC(=O)NCCSC(=O)C 11a_100020647217_100015343762 [1,1,0,0,0,0|1,1,0]=4 2391 B9R0.55 CC(=O)NCCSC(=O)C 240690a_100020647217_100015343762 [1,1,0,0,0,0|1,1,0]=4 2392 B9R0.55 CC(=O)NCCSC(=O)C 527a_100020647217_100103153847 [1,1,0,0,0,0|1,1,0]=4 2393 B9R0.55 CC(=O)NCCSC(C)C 11a_100000731138_100015343762 [1,1,0,0,0,0|2,0,0]=4 2394 B9R0.55 CC(=O)NCCSC(C)C 1626a_100000731138_100015343762 [1,1,0,0,0,0|2,0,0]=4 2395 B9R0.55 CC(=O)NCCSC(C)C 240690a_100000731138_100015343762 [1,1,0,0,0,0|2,0,0]=4 2396 B9R0.55 CC(=O)NCCSC(C)C 527a_100000731138_100103153847 [1,1,0,0,0,0|2,0,0]=4 2397 B9R0.55 CC(=O)NCCSC(C)C 62a_100000189650_100000210206 [1,1,0,0,0,0|2,0,0]=4 2398 B9R0.55 CC(=O)NCCSC(C)C 62a_100000210206_100000189650 [1,1,0,0,0,0|2,0,0]=4 2399 B9R0.55 CC(=O)OCCCN(C)C 269982a_100102631434_100000042594 [1,1,0,0,0,0|1,0,1]=4 2400 B9R0.55 CC(=O)OCCNC(C)C 34a_100138425928_100009814007 [1,1,0,0,0,0|1,0,0]=3 2401 B9R0.55 CC(=O)OCCOC(C)C 34a_100000212225_100009814007 [1,1,0,0,0,0|1,0,0]=3 2402 B9R0.55 CC(=O)OCCSC(C)C 62a_100000210206_100009814007 [1,1,0,0,0,0|1,0,0]=3 2403 B9R0.55 CC(=O)OCCSC(C)C 62a_100009814007_100000210206 [1,1,0,0,0,0|1,0,0]=3 2404 B9R0.55 CC(=O)OCNCC(C)C 34a_100000210953_100009813279 [1,1,0,0,0,0|1,0,1]=4 2405 B9R0.55 CC(=O)OCNCC(C)O 34a_100000210904_100009813279 [1,1,0,0,0,0|1,0,1]=4 2406 B9R0.55 CC(=O)OCOCC(C)Br 34a_100012180447_100009813279 [1,1,0,0,0,0|1,0,1]=4 2407 B9R0.55 CC(=O)OCOCC(C)C 34a_100000210257_100009813279 [1,1,0,0,0,0|1,0,1]=4 2408 B9R0.55 CC(=O)OCOCC(C)F 34a_100015925927_100009813279 [1,1,0,0,0,0|1,0,1]=4 2409 B9R0.55 CC(=O)OCOC[C@@H](C)Cl 34a_100016084084_100009813279 [1,1,0,0,0,0|1,0,1]=4 2410 B9R0.55 CC(=O)OCOC[C@@H](C)N 34a_100000737577_100009813279 [1,1,0,0,0,0|1,0,1]=4 2411 B9R0.55 CC(=O)OCSCC(C)C 62a_100000076356_100000210760 [1,1,0,0,0,0|1,0,1]=4 2412 B9R0.55 CC(=O)OCSCC(C)C 62a_100000210624_100000076356 [1,1,0,0,0,0|1,0,1]=4 2413 B9R0.55 CC(=O)OCSCC(C)O 62a_100000076356_100011218427 [1,1,0,0,0,0|1,0,1]=4 2414 B9R0.55 CC(=O)OCSCC(C)O 62a_100011218427_100000076356 [1,1,0,0,0,0|1,0,1]=4 2415 B9R0.55 CC(=O)OCSC[C@@H](C)O 62a_100000076356_100009817552 [1,1,0,0,0,0|1,0,1]=4 2416 B9R0.55 CC(=O)OCSC[C@@H](C)O 62a_100009817552_100000076356 [1,1,0,0,0,0|1,0,1]=4 2417 B9R0.55 CC(C)CCCCC(=O)[13CH3] 1458a_100011933920_200025704644 [1,1,0,0,0,0|0,0,2]=4 2418 B9R0.55 CC(C)NCCOC(=O)N 34a_100138425928_200011214921 [1,1,0,0,0,0|2,0,0]=4 2419 B9R0.55 CC(C)OCCOC(=O)N 34a_100000212225_200011214921 [1,1,0,0,0,0|2,0,0]=4 2420 B9R0.55 CC(C)OCCOC(=O)N 7a_100000766696_100000210206 [1,1,0,0,0,0|2,0,0]=4 2421 B9R0.55 CC(C)SCCOC(=O)N 62a_100000210206_200011214921 [1,1,0,0,0,0|2,0,0]=4 2422 B9R0.55 CC(C)SCCOC(=O)N 62a_200011214921_100000210206 [1,1,0,0,0,0|2,0,0]=4 2423 B11R0.1 CCOC(=O)CC(C)NC(=O)C 188690a_100000686176_100015343762 [0,2,0,0,0,0|2,0,0]=4 2424 B11R0.6 CC(=CC(=O)CCOC(=O)N)C 1458a_100000211388_200011214921 [0,2,0,0,0,0|1,0,1]=4 2425 B11R0.6 CC(=CC(=O)CCOC(=O)N)Cl 1458a_200042562850_200011214921 [0,2,0,0,0,0|1,0,1]=4 2426 B11R0.6 CC(=CC(=O)CCOC(=O)N)I 1458a_100025716642_200011214921 [0,2,0,0,0,0|1,0,1]=4 2427 B11R0.6 CC(=O)CCCC(=O)C=C(C)C 1458a_100000211388_100011215641 [0,2,0,0,0,0|1,0,1]=4 2428 B11R0.6 CC(=O)CCCC(=O)C=C(C)Cl 1458a_200042562850_100011215641 [0,2,0,0,0,0|1,0,1]=4 2429 B11R0.6 CC(=O)CCCC(=O)C=C(C)I 1458a_100025716642_100011215641 [0,2,0,0,0,0|1,0,1]=4 2430 B11R0.6 CC(=O)CCCC(=O)CC(C)C 1458a_100000210554_100011215641 [0,2,0,0,0,0|1,0,1]=4 2431 B11R0.6 CC(=O)CCCC(=O)C[C@@H](C)O 1458a_100011933948_100011215641 [0,2,0,0,0,0|1,0,1]=4 2432 B11R0.6 CC(=O)NCCC(=O)C=C(C)C 1458a_100000211388_100000189650 [0,2,0,0,0,0|1,0,1]=4 2433 B11R0.6 CC(=O)NCCC(=O)C=C(C)Cl 1458a_200042562850_100000189650 [0,2,0,0,0,0|1,0,1]=4 2434 B11R0.6 CC(=O)NCCC(=O)C=C(C)I 1458a_100025716642_100000189650 [0,2,0,0,0,0|1,0,1]=4 2435 B11R0.6 CC(=O)NCCC(=O)CC(C)C 1458a_100000183196_100000210624 [0,2,0,0,0,0|1,0,1]=4 2436 B11R0.6 CC(=O)NCCC(=O)CC(C)C 1458a_100000210554_100000189650 [0,2,0,0,0,0|1,0,1]=4 2437 B11R0.6 CC(=O)NCCC(=O)CC(C)O 1458a_100000183196_100011218427 [0,2,0,0,0,0|1,0,1]=4 2438 B11R0.6 CC(=O)NCCC(=O)C[C@@H](C)O 1458a_100011933948_100000189650 [0,2,0,0,0,0|1,0,1]=4 2439 B11R0.6 CC(=O)NCCC(=O)NC(C)C 11a_100138425928_100000183196 [0,2,0,0,0,0|2,0,0]=4 2440 B11R0.6 CC(=O)NCCC(=O)NC(C)C 1626a_100138425928_100000183196 [0,2,0,0,0,0|2,0,0]=4 2441 B11R0.6 CC(=O)NCCC(=O)NC(C)C 240690a_100138425928_100000183196 [0,2,0,0,0,0|2,0,0]=4 2442 B11R0.6 CC(=O)NCCC(=O)NC(C)C 527a_100138425928_100000183196 [0,2,0,0,0,0|2,0,0]=4 2443 B11R0.6 CC(=O)OCCC(=O)C=C(C)C 1458a_100000211388_100009814007 [0,2,0,0,0,0|0,0,1]=3 2444 B11R0.6 CC(=O)OCCC(=O)C=C(C)Cl 1458a_200042562850_100009814007 [0,2,0,0,0,0|0,0,1]=3 2445 B11R0.6 CC(=O)OCCC(=O)C=C(C)I 1458a_100025716642_100009814007 [0,2,0,0,0,0|0,0,1]=3 2446 B11R0.6 CC(=O)OCCC(=O)C=C(Cl)Cl 1458a_100000137448_100009814007 [0,2,0,0,0,0|1,0,1]=4 2447 B11R0.6 CC(=O)OCCC(=O)CC(C)C 1458a_100000210554_100009814007 [0,2,0,0,0,0|0,0,1]=3 2448 B11R0.6 CC(=O)OCCC(=O)CN(C)C 1458a_100000750896_100009814007 [0,2,0,0,0,0|1,0,1]=4 2449 B11R0.6 CC(=O)OCCC(=O)C[C@@H](C)O 1458a_100011933948_100009814007 [0,2,0,0,0,0|0,0,1]=3 2450 B11R0.6 CC(=O)OCCC(=O)C[S+](C)C 1458a_200159257847_100009814007 [0,2,0,0,0,0|1,0,1]=4 2451 B11R0.6 CC(=O)OCCN(C)CC(C)C 269982a_100000747067_100009814007 [0,2,0,0,0,0|1,0,1]=4 2452 B11R0.6 CC(=O)OCCN(C)CC(C)O 269982a_100000227577_100009814007 [0,2,0,0,0,0|1,0,1]=4 2453 B11R0.6 CC(=O)SCCC(=O)CC(C)C 1458a_100000048949_100000210624 [0,2,0,0,0,0|0,1,1]=4 2454 B11R0.6 CC(=O)SCCC(=O)CC(C)O 1458a_100000048949_100011218427 [0,2,0,0,0,0|0,1,1]=4 2455 B11R0.6 CC(=O)SCCC(=O)NC(C)C 1626a_100138425928_100000048949 [0,2,0,0,0,0|1,1,0]=4 2456 B11R0.6 CC(=O)SCCC(=O)NC(C)C 240690a_100138425928_100000048949 [0,2,0,0,0,0|1,1,0]=4 2457 B11R0.6 CC(C)CC(=O)CCOC(=O)N 1458a_100000210554_200011214921 [0,2,0,0,0,0|1,0,1]=4 2458 B11R0.6 C[C@@H](O)CC(=O)CCOC(=O)N 1458a_100011933948_200011214921 [0,2,0,0,0,0|1,0,1]=4 2459 B11R0.45 CCCN(CC)CCOC(=O)C 269982a_100000226822_100009814007 [0,2,0,0,0,0|1,0,1]=4 2460 B11R0.59 CCCC(=O)[C@H](C)CSC(=O)C 1458a_200015407212_100000210303 [0,2,0,0,0,0|0,1,1]=4 2461 B11R0.59 CCCN(C)C(C)COC(=O)C 270004a_100000747261_100000000629 [0,2,0,0,0,0|1,0,1]=4 2462 B11R0.59 CCNC(=O)[C@H](C)CSC(=O)C 11a_100015525214_200015407212 [0,2,0,0,0,0|1,1,0]=4 2463 B11R0.59 CCNC(=O)[C@H](C)CSC(=O)C 240690a_100015525214_200015407212 [0,2,0,0,0,0|1,1,0]=4 2464 B11R0.59 CCNC(=O)[C@H](C)CSC(=O)C 527a_100015525214_200015407212 [0,2,0,0,0,0|1,1,0]=4 2465 B11R0.104 CCNS(=O)(=O)CCOC(=O)C 270084a_100015525214_200000119425 [0,2,0,0,0,0|2,0,0]=4 2466 B11R0.104 CCNS(=O)(=O)CCOC(=O)C 274078a_100015525214_200000119425 [0,2,0,0,0,0|2,0,0]=4 2467 B11R0.141 CCCC(=O)CCN(C)C(=O)C 1458a_100011216537_100000210303 [0,2,0,0,0,0|1,0,1]=4 2468 B11R0.141 CCNC(=O)CCN(C)C(=O)C 11a_100015525214_100011216537 [0,2,0,0,0,0|2,0,0]=4 2469 B11R0.141 CCNC(=O)CCN(C)C(=O)C 240690a_100015525214_100011216537 [0,2,0,0,0,0|2,0,0]=4 2470 B11R0.141 CCOC(=O)CCC(C)C(=O)C 1458a_100000070787_100000748298 [0,2,0,0,0,0|2,0,0]=4 2471 B11R0.141 CCOC(=O)CCN(C)C(=O)C 11a_100000745921_100015343762 [0,2,0,0,0,0|2,0,0]=4 2472 B11R0.141 CCOC(=O)CCN(C)C(=O)C 1626a_100000745921_100015343762 [0,2,0,0,0,0|2,0,0]=4 2473 B11R0.141 CCOC(=O)CCN(C)C(=O)C 240690a_100000745921_100015343762 [0,2,0,0,0,0|2,0,0]=4 2474 B11R0.141 CCOC(=O)CCN(C)C(=O)C 527a_100000745921_100103153847 [0,2,0,0,0,0|2,0,0]=4 2475 B11R0.145 C/C=C(\C)/C(=O)CCCC(=O)C 1458a_100020587367_100011215641 [0,2,0,0,0,0|1,0,1]=4 2476 B11R0.145 C/C=C(\C)/C(=O)CCNC(=O)C 1458a_100020587367_100000189650 [0,2,0,0,0,0|1,0,1]=4 2477 B11R0.145 C/C=C(\C)/C(=O)CCOC(=O)C 1458a_100020587367_100009814007 [0,2,0,0,0,0|0,0,1]=3 2478 B11R0.145 C/C=C(\C)/C(=O)CCOC(=O)N 1458a_100020587367_200011214921 [0,2,0,0,0,0|1,0,1]=4 2479 B11R0.145 CC(=O)OCCC(=O)C(O)CO 1458a_100011215603_100009814007 [0,2,0,0,0,0|1,0,1]=4 2480 B11R0.145 CCC(=O)C(C)SCOC(=O)C 62a_100000076356_100000742827 [0,2,0,0,0,0|1,0,1]=4 2481 B11R0.145 CCC(=O)C(C)SCOC(=O)C 62a_100000742827_100000076356 [0,2,0,0,0,0|1,0,1]=4 2482 B11R0.145 CCC(C)C(=O)CCCC(=O)C 1458a_100011192722_100011215641 [0,2,0,0,0,0|1,0,1]=4 2483 B11R0.145 CCC(C)C(=O)CCNC(=O)C 1458a_100000183196_100000758301 [0,2,0,0,0,0|1,0,1]=4 2484 B11R0.145 CCC(C)C(=O)CCNC(=O)C 1458a_100011192722_100000189650 [0,2,0,0,0,0|1,0,1]=4 2485 B11R0.145 CCC(C)C(=O)CCOC(=O)C 1458a_100011192722_100009814007 [0,2,0,0,0,0|0,0,1]=3 2486 B11R0.145 CCC(C)C(=O)CCOC(=O)N 1458a_100011192722_200011214921 [0,2,0,0,0,0|1,0,1]=4 2487 B11R0.145 CCC(C)C(=O)CCSC(=O)C 1458a_100000048949_100000758301 [0,2,0,0,0,0|0,1,1]=4 2488 B11R0.145 CCC(C)N(C)CCOC(=O)C 269982a_100000741768_100009814007 [0,2,0,0,0,0|1,0,1]=4 2489 B11R0.145 CCC(O)C(=O)CCCC(=O)C 1458a_100011196387_100011215641 [0,2,0,0,0,0|1,0,1]=4 2490 B11R0.145 CCC(O)C(=O)CCNC(=O)C 1458a_100011196387_100000189650 [0,2,0,0,0,0|1,0,1]=4 2491 B11R0.145 CCC(O)C(=O)CCOC(=O)C 1458a_100011196387_100009814007 [0,2,0,0,0,0|0,0,1]=3 2492 B11R0.145 CCC(O)C(=O)CCOC(=O)N 1458a_100011196387_200011214921 [0,2,0,0,0,0|1,0,1]=4 2493 B11R0.145 CCN(C)C(=O)CCNC(=O)C 11a_100000225621_100000183196 [0,2,0,0,0,0|2,0,0]=4 2494 B11R0.145 CCN(C)C(=O)CCNC(=O)C 1626a_100000225621_100000183196 [0,2,0,0,0,0|2,0,0]=4 2495 B11R0.145 CCN(C)C(=O)CCNC(=O)C 240690a_100000225621_100000183196 [0,2,0,0,0,0|2,0,0]=4 2496 B11R0.145 CCN(C)C(=O)CCNC(=O)C 527a_100000225621_100000183196 [0,2,0,0,0,0|2,0,0]=4 2497 B11R0.145 CCN(C)C(=O)CCSC(=O)C 1626a_100000225621_100000048949 [0,2,0,0,0,0|1,1,0]=4 2498 B11R0.145 CCN(C)C(=O)CCSC(=O)C 240690a_100000225621_100000048949 [0,2,0,0,0,0|1,1,0]=4 2499 B11R0.145 CNC(=O)C(=O)CCCC(=O)C 1458a_100011218921_100011215641 [0,2,0,0,0,0|2,0,0]=4 2500 B11R0.145 CNC(=O)C(=O)CCNC(=O)C 1458a_100011218921_100000189650 [0,2,0,0,0,0|2,0,0]=4 2501 B11R0.145 CNC(=O)C(=O)CCOC(=O)C 1458a_100011218921_100009814007 [0,2,0,0,0,0|1,0,0]=3 2502 B11R0.145 CNC(=O)C(=O)CCOC(=O)N 1458a_100011218921_200011214921 [0,2,0,0,0,0|2,0,0]=4 2503 B11R0.145 COC(C)C(=O)CCOC(=O)C 1458a_100000743197_100009814007 [0,2,0,0,0,0|1,0,1]=4 2504 B11R0.145 CSC(C)C(=O)CCOC(=O)C 1458a_100000149566_100009814007 [0,2,0,0,0,0|1,0,1]=4 2505 B11R0.147 C#CCCC(=O)CCOC(=O)C 1458a_100000692101_100009814007 [0,2,0,0,0,0|0,0,2]=4 2506 B11R0.147 C/C=C/CC(=O)CCNC(=O)C 1458a_100000183196_100102629194 [0,2,0,0,0,0|1,0,1]=4 2507 B11R0.147 C/C=C/CC(=O)CCSC(=O)C 1458a_100000048949_100102629194 [0,2,0,0,0,0|0,1,1]=4 2508 B11R0.147 C=CC=CC(=O)CCOC(=O)C 1458a_100016291481_100009814007 [0,2,0,0,0,0|0,0,2]=4 2509 B11R0.147 C=CCCC(=O)CCOC(=O)C 1458a_100000749702_100009814007 [0,2,0,0,0,0|0,0,2]=4 2510 B11R0.147 CC(=CCC/C(=C/CN[13CH3])/C)C 2230a_200020676162_200025704644 [0,2,0,0,0,0|2,0,0]=4 2511 B11R0.147 CC(=CCC/C(=C/CN[13CH3])/C)C 34a_200020676162_200025704644 [0,2,0,0,0,0|2,0,0]=4 2512 B11R0.147 CC(=CCC/C(=C/CS[13CH3])/C)C 62a_100016991246_200025704644 [0,2,0,0,0,0|2,0,0]=4 2513 B11R0.147 CC(=CCC/C(=C/CS[13CH3])/C)C 62a_200025704644_100016991246 [0,2,0,0,0,0|2,0,0]=4 2514 B11R0.147 CC(=CCC/C(=C\CO[13CH3])/C)C 34a_100016990311_200025704644 [0,2,0,0,0,0|2,0,0]=4 2515 B11R0.147 CC(=CCC/C(=C\CO[13CH3])/C)C 7a_100016990311_200025704644 [0,2,0,0,0,0|2,0,0]=4 2516 B11R0.147 CC(=O)NCCC(=O)CCCF 1458a_100000183196_100011934791 [0,2,0,0,0,0|1,0,1]=4 2517 B11R0.147 CC(=O)NCCC(=O)CCCO 1458a_100000183196_100011215043 [0,2,0,0,0,0|1,0,1]=4 2518 B11R0.147 CC(=O)NCCC(=O)NCCF 11a_100000724931_100000183196 [0,2,0,0,0,0|2,0,0]=4 2519 B11R0.147 CC(=O)NCCC(=O)NCCF 1626a_100000724931_100000183196 [0,2,0,0,0,0|2,0,0]=4 2520 B11R0.147 CC(=O)NCCC(=O)NCCF 240690a_100000724931_100000183196 [0,2,0,0,0,0|2,0,0]=4 2521 B11R0.147 CC(=O)NCCC(=O)NCCF 527a_100000724931_100000183196 [0,2,0,0,0,0|2,0,0]=4 2522 B11R0.147 CC(=O)NCCC(=O)NCCO 240690a_100000210304_100000183196 [0,2,0,0,0,0|2,0,0]=4 2523 B11R0.147 CC(=O)NCCC(=O)NCCO 527a_100000210304_100000183196 [0,2,0,0,0,0|2,0,0]=4 2524 B11R0.147 CC(=O)OCCC(=O)C#CCO 1458a_100000049017_100009814007 [0,2,0,0,0,0|0,0,2]=4 2525 B11R0.147 CC(=O)OCCC(=O)CCC#N 1458a_100011934036_100009814007 [0,2,0,0,0,0|0,0,2]=4 2526 B11R0.147 CC(=O)OCCN(C)CCCO 269982a_100000213112_100009814007 [0,2,0,0,0,0|1,0,1]=4 2527 B11R0.147 CC(=O)SCCC(=O)CCCF 1458a_100000048949_100011934791 [0,2,0,0,0,0|0,1,1]=4 2528 B11R0.147 CC(=O)SCCC(=O)CCCO 1458a_100000048949_100011215043 [0,2,0,0,0,0|0,1,1]=4 2529 B11R0.147 CC(=O)SCCC(=O)NCCF 1626a_100000724931_100000048949 [0,2,0,0,0,0|1,1,0]=4 2530 B11R0.147 CC(=O)SCCC(=O)NCCF 240690a_100000724931_100000048949 [0,2,0,0,0,0|1,1,0]=4 2531 B11R0.147 CC(=O)SCCC(=O)NCCO 240690a_100000210304_100000048949 [0,2,0,0,0,0|1,1,0]=4 2532 B11R0.147 CC=CCC(=O)CCCC(=O)C 1458a_100121576822_100011215641 [0,2,0,0,0,0|1,0,1]=4 2533 B11R0.147 CC=CCC(=O)CCNC(=O)C 1458a_100000183196_100000070051 [0,2,0,0,0,0|1,0,1]=4 2534 B11R0.147 CC=CCC(=O)CCNC(=O)C 1458a_100121576822_100000189650 [0,2,0,0,0,0|1,0,1]=4 2535 B11R0.147 CC=CCC(=O)CCOC(=O)C 1458a_100121576822_100009814007 [0,2,0,0,0,0|0,0,1]=3 2536 B11R0.147 CC=CCC(=O)CCOC(=O)N 1458a_100121576822_200011214921 [0,2,0,0,0,0|1,0,1]=4 2537 B11R0.147 CC=CCC(=O)CCSC(=O)C 1458a_100000048949_100000070051 [0,2,0,0,0,0|0,1,1]=4 2538 B11R0.147 CCC#CC(=O)CCCC(=O)C 1458a_100011827653_100011215641 [0,2,0,0,0,0|1,0,1]=4 2539 B11R0.147 CCC#CC(=O)CCNC(=O)C 1458a_100011827653_100000189650 [0,2,0,0,0,0|1,0,1]=4 2540 B11R0.147 CCC#CC(=O)CCOC(=O)C 1458a_100011827653_100009814007 [0,2,0,0,0,0|0,0,1]=3 2541 B11R0.147 CCC#CC(=O)CCOC(=O)N 1458a_100011827653_200011214921 [0,2,0,0,0,0|1,0,1]=4 2542 B11R0.147 CCC#CC(C)OCOC(=O)C 34a_100000033903_100009813279 [0,2,0,0,0,0|0,0,2]=4 2543 B11R0.147 CCC=CC(=O)CCC=C(C)C 1458a_100000212282_100011217483 [0,2,0,0,0,0|2,0,0]=4 2544 B11R0.147 CCC=CC(=O)CCCC(=O)C 1458a_100000212282_100011215641 [0,2,0,0,0,0|1,0,0]=3 2545 B11R0.147 CCC=CC(=O)CCCC(=O)N 1458a_100000212282_100102525003 [0,2,0,0,0,0|2,0,0]=4 2546 B11R0.147 CCC=CC(=O)CCNC(=O)C 1458a_100000212282_100000189650 [0,2,0,0,0,0|1,0,0]=3 2547 B11R0.147 CCC=CC(=O)CCNC(=O)N 1458a_100000212282_200000034859 [0,2,0,0,0,0|2,0,0]=4 2548 B11R0.147 CCC=CC(=O)CCOC(=O)C 1458a_100000212282_100009814007 [0,2,0,0,0,0|0,0,0]=2 2549 B11R0.147 CCC=CC(=O)CCOC(=O)N 1458a_100000212282_200011214921 [0,2,0,0,0,0|1,0,0]=3 2550 B11R0.147 CCC=CC(=O)CCOC(C)C 1458a_100000212282_100000211751 [0,2,0,0,0,0|1,0,1]=4 2551 B11R0.147 CCCCC(=O)CCCC(=O)C 1458a_100000210183_100011215641 [0,2,0,0,0,0|1,0,1]=4 2552 B11R0.147 CCCCC(=O)CCNC(=O)C 1458a_100000183196_100000210211 [0,2,0,0,0,0|1,0,1]=4 2553 B11R0.147 CCCCC(=O)CCNC(=O)C 1458a_100000210183_100000189650 [0,2,0,0,0,0|1,0,1]=4 2554 B11R0.147 CCCCC(=O)CCOC(=O)C 1458a_100000210183_100009814007 [0,2,0,0,0,0|0,0,1]=3 2555 B11R0.147 CCCCC(=O)CCOC(=O)N 1458a_100000210183_200011214921 [0,2,0,0,0,0|1,0,1]=4 2556 B11R0.147 CCCCC(=O)CCSC(=O)C 1458a_100000048949_100000210211 [0,2,0,0,0,0|0,1,1]=4 2557 B11R0.147 CCCCC(C)OCOC(=O)C 34a_100000687866_100009813279 [0,2,0,0,0,0|0,0,2]=4 2558 B11R0.147 CCCCC(C)SCOC(=O)C 62a_100000076356_200011215066 [0,2,0,0,0,0|0,0,2]=4 2559 B11R0.147 CCCCC(C)SCOC(=O)C 62a_200011215066_100000076356 [0,2,0,0,0,0|0,0,2]=4 2560 B11R0.147 CCCCN(C)CCOC(=O)C 269982a_100000207549_100009814007 [0,2,0,0,0,0|0,0,2]=4 2561 B11R0.147 CCCNC(=O)CCCC(=O)C 1458a_100000070787_100011194427 [0,2,0,0,0,0|1,0,1]=4 2562 B11R0.147 CCCNC(=O)CCCC(=O)C 1458a_100000199544_200000210301 [0,2,0,0,0,0|1,0,1]=4 2563 B11R0.147 CCCNC(=O)CCCC(=O)[13CH3] 1458a_100000199544_200025704644 [0,2,0,0,0,0|1,0,1]=4 2564 B11R0.147 CCCNC(=O)CCNC(=O)C 11a_100020643023_100000183196 [0,2,0,0,0,0|1,0,1]=4 2565 B11R0.147 CCCNC(=O)CCNC(=O)C 1626a_100020643023_100000183196 [0,2,0,0,0,0|1,0,1]=4 2566 B11R0.147 CCCNC(=O)CCNC(=O)C 240690a_100020643023_100000183196 [0,2,0,0,0,0|1,0,1]=4 2567 B11R0.147 CCCNC(=O)CCNC(=O)C 527a_100020643023_100000183196 [0,2,0,0,0,0|1,0,1]=4 2568 B11R0.147 CCCNC(=O)CCSC(=O)C 1626a_100020643023_100000048949 [0,2,0,0,0,0|0,1,1]=4 2569 B11R0.147 CCCNC(=O)CCSC(=O)C 240690a_100020643023_100000048949 [0,2,0,0,0,0|0,1,1]=4 2570 B11R0.147 CCNNC(=O)CCNC(=O)C 22a_100000756455_100000183196 [0,2,0,0,0,0|2,0,0]=4 2571 B11R0.147 CCOCC(=O)CCCC(=O)C 1458a_100000211967_100011215641 [0,2,0,0,0,0|1,0,1]=4 2572 B11R0.147 CCOCC(=O)CCNC(=O)C 1458a_100000211967_100000189650 [0,2,0,0,0,0|1,0,1]=4 2573 B11R0.147 CCOCC(=O)CCOC(=O)C 1458a_100000211967_100009814007 [0,2,0,0,0,0|0,0,1]=3 2574 B11R0.147 CCOCC(=O)CCOC(=O)N 1458a_100000211967_200011214921 [0,2,0,0,0,0|1,0,1]=4 2575 B11R0.147 CCOCC(C)OCOC(=O)C 34a_100000718985_100009813279 [0,2,0,0,0,0|1,0,1]=4 2576 B11R0.147 CCSCC(=O)CCCC(=O)C 1458a_100000230394_100011215641 [0,2,0,0,0,0|1,0,1]=4 2577 B11R0.147 CCSCC(=O)CCNC(=O)C 1458a_100000230394_100000189650 [0,2,0,0,0,0|1,0,1]=4 2578 B11R0.147 CCSCC(=O)CCOC(=O)C 1458a_100000230394_100009814007 [0,2,0,0,0,0|0,0,1]=3 2579 B11R0.147 CCSCC(=O)CCOC(=O)N 1458a_100000230394_200011214921 [0,2,0,0,0,0|1,0,1]=4 2580 B11R0.147 CNC/C=C(\C)/CCC=C(C)C 2230a_106832991635_100016991246 [0,2,0,0,0,0|2,0,0]=4 2581 B11R0.147 CNC/C=C(\C)/CCC=C(C)C 2230a_200020676162_200000210301 [0,2,0,0,0,0|2,0,0]=4 2582 B11R0.147 CNC/C=C(\C)/CCC=C(C)C 34a_100102657272_100016991246 [0,2,0,0,0,0|2,0,0]=4 2583 B11R0.147 CNC/C=C(\C)/CCC=C(C)C 34a_200020676162_200000210301 [0,2,0,0,0,0|2,0,0]=4 2584 B11R0.147 CNC/C=C(\C)/CCC=C(C)C 7a_106832991635_100016991246 [0,2,0,0,0,0|2,0,0]=4 2585 B11R0.147 COC/C=C(/C)\CCC=C(C)C 34a_100016990311_200000210301 [0,2,0,0,0,0|2,0,0]=4 2586 B11R0.147 COC/C=C(/C)\CCC=C(C)C 7a_100016990311_200000210301 [0,2,0,0,0,0|2,0,0]=4 2587 B11R0.147 COC/C=C(\C)/CCC=C(C)C 34a_100138415774_100016991246 [0,2,0,0,0,0|2,0,0]=4 2588 B11R0.147 COC=CC(=O)CCCC(=O)C 1458a_100016268678_100011215641 [0,2,0,0,0,0|1,0,1]=4 2589 B11R0.147 COC=CC(=O)CCNC(=O)C 1458a_100016268678_100000189650 [0,2,0,0,0,0|1,0,1]=4 2590 B11R0.147 COC=CC(=O)CCOC(=O)C 1458a_100016268678_100009814007 [0,2,0,0,0,0|0,0,1]=3 2591 B11R0.147 COC=CC(=O)CCOC(=O)N 1458a_100016268678_200011214921 [0,2,0,0,0,0|1,0,1]=4 2592 B11R0.147 COCCC(=O)CCCC(=O)C 1458a_100000749529_100011215641 [0,2,0,0,0,0|1,0,1]=4 2593 B11R0.147 COCCC(=O)CCNC(=O)C 1458a_100000183196_100000233755 [0,2,0,0,0,0|1,0,1]=4 2594 B11R0.147 COCCC(=O)CCNC(=O)C 1458a_100000749529_100000189650 [0,2,0,0,0,0|1,0,1]=4 2595 B11R0.147 COCCC(=O)CCOC(=O)C 1458a_100000749529_100009814007 [0,2,0,0,0,0|0,0,1]=3 2596 B11R0.147 COCCC(=O)CCOC(=O)N 1458a_100000749529_200011214921 [0,2,0,0,0,0|1,0,1]=4 2597 B11R0.147 COCCC(=O)CCSC(=O)C 1458a_100000048949_100000233755 [0,2,0,0,0,0|0,1,1]=4 2598 B11R0.147 COCCN(C)CCOC(=O)C 269982a_100000743101_100009814007 [0,2,0,0,0,0|1,0,1]=4 2599 B11R0.147 CSC/C=C(\C)/CCC=C(C)C 62a_100016991246_200000210301 [0,2,0,0,0,0|2,0,0]=4 2600 B11R0.147 CSC/C=C(\C)/CCC=C(C)C 62a_200000210301_100016991246 [0,2,0,0,0,0|2,0,0]=4 2601 B11R0.147 CSCCC(=O)CCCC(=O)C 1458a_100000174002_100011215641 [0,2,0,0,0,0|1,0,1]=4 2602 B11R0.147 CSCCC(=O)CCNC(=O)C 1458a_100000174002_100000189650 [0,2,0,0,0,0|1,0,1]=4 2603 B11R0.147 CSCCC(=O)CCNC(=O)C 1458a_100000183196_100000751147 [0,2,0,0,0,0|1,0,1]=4 2604 B11R0.147 CSCCC(=O)CCOC(=O)C 1458a_100000174002_100009814007 [0,2,0,0,0,0|0,0,1]=3 2605 B11R0.147 CSCCC(=O)CCOC(=O)N 1458a_100000174002_200011214921 [0,2,0,0,0,0|1,0,1]=4 2606 B11R0.147 CSCCC(=O)CCSC(=O)C 1458a_100000048949_100000751147 [0,2,0,0,0,0|0,1,1]=4 2607 B11R0.147 CSCCN(C)CCOC(=O)C 269982a_100000686725_100009814007 [0,2,0,0,0,0|1,0,1]=4 2608 B11R0.174 C=CC(=O)OCCC(=O)C=CC 1458a_100000210699_100009813456 [0,2,0,0,0,0|0,0,2]=4 2609 B11R0.174 C=CC(=O)OCCC(=O)CCC 1458a_100000065099_100000210303 [0,2,0,0,0,0|0,0,2]=4 2610 B11R0.174 C=CC(=O)OCCC(=O)CCC 1458a_100000211992_100009813456 [0,2,0,0,0,0|0,0,2]=4 2611 B11R0.174 C=CC(=O)OCCC(=O)NCC 240690a_100015525214_100000065099 [0,2,0,0,0,0|1,0,1]=4 2612 B11R0.174 CC#CC(=O)CCOC(=O)NC 1458a_100000763181_200011997002 [0,2,0,0,0,0|0,0,2]=4 2613 B11R0.174 CC=CC(=O)CCCC(=O)NC 1458a_100000210699_100000741757 [0,2,0,0,0,0|1,0,1]=4 2614 B11R0.174 CC=CC(=O)CCCC(=O)OC 1458a_100000210699_100011218270 [0,2,0,0,0,0|1,0,1]=4 2615 B11R0.174 CC=CC(=O)CCOC(=O)NC 1458a_100000210699_200011997002 [0,2,0,0,0,0|0,0,1]=3 2616 B11R0.174 CCCC(=O)CCCC(=O)NC 1458a_100000211992_100000741757 [0,2,0,0,0,0|1,0,1]=4 2617 B11R0.174 CCCC(=O)CCCC(=O)OC 1458a_100000211992_100011218270 [0,2,0,0,0,0|1,0,1]=4 2618 B11R0.174 CCCC(=O)CCCC(=O)OC 1458a_100000239890_100000210303 [0,2,0,0,0,0|1,0,1]=4 2619 B11R0.174 CCCC(=O)CCOC(=O)NC 1458a_100000211992_200011997002 [0,2,0,0,0,0|0,0,1]=3 2620 B11R0.174 CCCN(C)CCOC(=O)NC 269982a_100000747261_200011997002 [0,2,0,0,0,0|1,0,1]=4 2621 B11R0.174 CCNC(=O)CCCC(=O)CC 1458a_100000199580_100000210202 [0,2,0,0,0,0|2,0,0]=4 2622 B11R0.174 CCNC(=O)CCCC(=O)CF 1458a_100000199580_100015361967 [0,2,0,0,0,0|2,0,0]=4 2623 B11R0.174 CCNC(=O)CCCC(=O)NC 11a_106832991635_100000199580 [0,2,0,0,0,0|2,0,0]=4 2624 B11R0.174 CCNC(=O)CCCC(=O)NC 1626a_100102657272_100000199580 [0,2,0,0,0,0|2,0,0]=4 2625 B11R0.174 CCNC(=O)CCCC(=O)NC 240690a_100102657272_100000199580 [0,2,0,0,0,0|2,0,0]=4 2626 B11R0.174 CCNC(=O)CCCC(=O)NC 527a_100102657272_100000199580 [0,2,0,0,0,0|2,0,0]=4 2627 B11R0.174 CCNC(=O)CCCC(=O)OC 11a_100015525214_100000239890 [0,2,0,0,0,0|2,0,0]=4 2628 B11R0.174 CCNC(=O)CCCC(=O)OC 240690a_100015525214_100000239890 [0,2,0,0,0,0|2,0,0]=4 2629 B11R0.174 CCNC(=O)CCCC(=O)OC 527a_100015525214_100000239890 [0,2,0,0,0,0|2,0,0]=4 2630 B11R0.174 CCNC(=O)CCNC(=O)CC 11a_100025743525_100000210414 [0,2,0,0,0,0|2,0,0]=4 2631 B11R0.174 CCNC(=O)CCNC(=O)CC 1626a_100025743525_100000210414 [0,2,0,0,0,0|2,0,0]=4 2632 B11R0.174 CCNC(=O)CCNC(=O)CC 240690a_100025743525_100000210414 [0,2,0,0,0,0|2,0,0]=4 2633 B11R0.174 CCNC(=O)CCNC(=O)CC 527a_100025743525_100000210414 [0,2,0,0,0,0|2,0,0]=4 2634 B11R0.174 CCNC(=O)CCNC(=O)CO 240690a_100025743525_100000210174 [0,2,0,0,0,0|2,0,0]=4 2635 B11R0.174 CCNC(=O)CCNC(=O)CO 527a_100025743525_100000210174 [0,2,0,0,0,0|2,0,0]=4 2636 B11R0.174 CCNC(=O)CCNC(=O)NC 2708a_100102657272_100025743525 [0,2,0,0,0,0|2,0,0]=4 2637 B11R0.174 CCNC(=O)CCNC(=O)NC 273464a_100025743525_100102657272 [0,2,0,0,0,0|2,0,0]=4 2638 B11R0.174 CCNC(=O)CCNC(=O)NC 273464a_100102657272_100025743525 [0,2,0,0,0,0|2,0,0]=4 2639 B11R0.174 CCNC(=O)CCNC(=O)NC 512a_100025743525_100102657272 [0,2,0,0,0,0|2,0,0]=4 2640 B11R0.174 CCNC(=O)CCNC(=O)NC 512a_106832991638_100025743525 [0,2,0,0,0,0|2,0,0]=4 2641 B11R0.174 CCOC(=O)CCCC(=O)CC 1458a_100000210414_100011215271 [0,2,0,0,0,0|2,0,0]=4 2642 B11R0.174 CCOC(=O)CCCC(=O)CC 1458a_100000210991_100000210202 [0,2,0,0,0,0|2,0,0]=4 2643 B11R0.174 CCOC(=O)CCCC(=O)CF 1458a_100000210991_100015361967 [0,2,0,0,0,0|2,0,0]=4 2644 B11R0.174 CCOC(=O)CCCC(=O)CO 1458a_100000210174_100011215271 [0,2,0,0,0,0|2,0,0]=4 2645 B11R0.174 CCOC(=O)CCCC(=O)NC 11a_106832991635_100000210991 [0,2,0,0,0,0|2,0,0]=4 2646 B11R0.174 CCOC(=O)CCCC(=O)NC 1626a_100102657272_100000210991 [0,2,0,0,0,0|2,0,0]=4 2647 B11R0.174 CCOC(=O)CCCC(=O)NC 240690a_100102657272_100000210991 [0,2,0,0,0,0|2,0,0]=4 2648 B11R0.174 CCOC(=O)CCCC(=O)NC 527a_100102657272_100000210991 [0,2,0,0,0,0|2,0,0]=4 2649 B11R0.174 CCOC(=O)CCNC(=O)CC 188690a_100000746078_100000210414 [0,2,0,0,0,0|2,0,0]=4 2650 B11R0.174 CCOC(=O)CCNC(=O)CO 188690a_100000746078_100000210174 [0,2,0,0,0,0|2,0,0]=4 2651 B11R0.174 CNC(=O)OCCC(=O)C=CBr 1458a_100016273825_200011997002 [0,2,0,0,0,0|1,0,1]=4 2652 B11R0.174 CNC(=O)OCCC(=O)C=CCl 1458a_200016279998_200011997002 [0,2,0,0,0,0|1,0,1]=4 2653 B11R0.174 CNC(=O)OCCC(=O)C=CI 1458a_100016256311_200011997002 [0,2,0,0,0,0|1,0,1]=4 2654 B11R0.174 CNC(=O)OCCC(=O)CCO 1458a_100011216618_200011997002 [0,2,0,0,0,0|1,0,1]=4 2655 B11R0.174 CNC(=O)OCCC(=O)COC 1458a_100000210968_200011997002 [0,2,0,0,0,0|1,0,1]=4 2656 B11R0.174 CNC(=O)OCCC(=O)CSC 1458a_100000184570_200011997002 [0,2,0,0,0,0|1,0,1]=4 2657 B11R0.180 CC=CC(=O)CCOS(=O)(=O)C 1458a_100000210699_200000036756 [0,2,0,0,0,0|1,0,1]=4 2658 B11R0.180 CCCC(=O)CCOS(=O)(=O)C 1458a_100000211992_200000036756 [0,2,0,0,0,0|1,0,1]=4 2659 B11R0.2 C=C(C)CN(C)CC/C=C\CC 2230a_100000225649_100015370543 [0,2,0,0,0,0|2,0,0]=4 2660 B11R0.2 C=C(C)CN(C)CC/C=C\CC 269982a_100000225649_100015370543 [0,2,0,0,0,0|2,0,0]=4 2661 B11R0.2 CC/C=C\CCC(=O)C=C(C)C 1458a_100000211388_100015370543 [0,2,0,0,0,0|2,0,0]=4 2662 B11R0.2 CC/C=C\CCC(=O)C=C(C)Cl 1458a_200042562850_100015370543 [0,2,0,0,0,0|2,0,0]=4 2663 B11R0.2 CC/C=C\CCC(=O)C=C(C)I 1458a_100025716642_100015370543 [0,2,0,0,0,0|2,0,0]=4 2664 B11R0.2 CC/C=C\CCC(=O)CC(=O)N 1458a_100134613110_100015370543 [0,2,0,0,0,0|2,0,0]=4 2665 B11R0.2 CC/C=C\CCN(C)CC(=O)N 2230a_100000739694_100015370543 [0,2,0,0,0,0|2,0,0]=4 2666 B11R0.2 CC/C=C\CCN(C)CC(=O)O 269956a_100000746989_100015370543 [0,2,0,0,0,0|2,0,0]=4 2667 B11R0.2 CC/C=C\COC(C)C=C(C)C 34a_100000717055_100103147603 [0,2,0,0,0,0|2,0,0]=4 2668 B11R0.2 CC/C=C\CSC(C)OC(=O)C 62a_100009818208_100103147603 [0,2,0,0,0,0|0,0,0]=2 2669 B11R0.2 CC/C=C\CSC(C)OC(=O)C 62a_100103147603_100009818208 [0,2,0,0,0,0|0,0,0]=2 2670 B11R0.2 CCC#CCSC(C)OC(=O)C 62a_100009813939_100009818208 [0,2,0,0,0,0|0,0,2]=4 2671 B11R0.2 CCC#CCSC(C)OC(=O)C 62a_100009818208_100009813939 [0,2,0,0,0,0|0,0,2]=4 2672 B11R0.2 CCCCCSC(C)OC(=O)C 62a_100000210326_100009818208 [0,2,0,0,0,0|0,0,2]=4 2673 B11R0.2 CCCCCSC(C)OC(=O)C 62a_100009818208_100000210326 [0,2,0,0,0,0|0,0,2]=4 2674 B11R0.2 CCOCCSC(C)OC(=O)C 62a_100000210147_100009818208 [0,2,0,0,0,0|1,0,1]=4 2675 B11R0.2 CCOCCSC(C)OC(=O)C 62a_100009818208_100011215890 [0,2,0,0,0,0|1,0,1]=4 2676 B11R0.2 CCSCCSC(C)OC(=O)C 62a_100000757381_100009818208 [0,2,0,0,0,0|1,0,1]=4 2677 B11R0.2 CCSCCSC(C)OC(=O)C 62a_100009818208_100000757381 [0,2,0,0,0,0|1,0,1]=4 2678 B11R0.30 C=C(C)CCOCCOC(=O)C 34a_100000764851_100009814007 [0,2,0,0,0,0|1,0,1]=4 2679 B11R0.30 C=C(C)CCSCCOC(=O)C 62a_100000730704_100009814007 [0,2,0,0,0,0|1,0,1]=4 2680 B11R0.30 C=C(C)CCSCCOC(=O)C 62a_100009814007_100000730704 [0,2,0,0,0,0|1,0,1]=4 2681 B11R0.30 C=C(C)COCCCOC(=O)C 34a_100000210245_100000042594 [0,2,0,0,0,0|1,0,1]=4 2682 B11R0.30 C=C(C)CSCCCOC(=O)C 62a_100000042594_100000211660 [0,2,0,0,0,0|1,0,1]=4 2683 B11R0.30 C=C(C)CSCCCOC(=O)C 62a_100000748629_100000042594 [0,2,0,0,0,0|1,0,1]=4 2684 B11R0.30 CC(=O)CCCC/C=C/C(C)C 1458a_200016995844_200000210301 [0,2,0,0,0,0|1,0,0]=3 2685 B11R0.30 CC(=O)CCCCCOC(=O)C 1458a_100000070787_100000033007 [0,2,0,0,0,0|0,0,2]=4 2686 B11R0.30 CC(=O)CCOCCOC(=O)C 1458a_100000070787_200000083610 [0,2,0,0,0,0|1,0,1]=4 2687 B11R0.30 CC(=O)CCOCCOC(=O)C 34a_100000759926_100009814007 [0,2,0,0,0,0|1,0,1]=4 2688 B11R0.30 CC(=O)CCOCCOC(=O)C 7a_100000759926_100009814007 [0,2,0,0,0,0|1,0,1]=4 2689 B11R0.30 CC(=O)CCSCCOC(=O)C 62a_100000053229_100009814007 [0,2,0,0,0,0|1,0,1]=4 2690 B11R0.30 CC(=O)CCSCCOC(=O)C 62a_100009814007_100000053229 [0,2,0,0,0,0|1,0,1]=4 2691 B11R0.30 CC(=O)COCCCCC(C)C 34a_100000211253_100011216152 [0,2,0,0,0,0|0,0,2]=4 2692 B11R0.30 CC(=O)COCCCOC(=O)C 34a_100000211253_100000042594 [0,2,0,0,0,0|1,0,1]=4 2693 B11R0.30 CC(=O)OCCCCCN(C)C 2230a_100102631434_100009813381 [0,2,0,0,0,0|0,0,2]=4 2694 B11R0.30 CC(=O)OCCCCCN(C)C 269982a_100102631434_100000033007 [0,2,0,0,0,0|0,0,2]=4 2695 B11R0.30 CC(=O)OCCCCNC(C)C 34a_100138425928_100000033659 [0,2,0,0,0,0|0,0,2]=4 2696 B11R0.30 CC(=O)OCCCCOC(C)C 34a_100000073216_100000210206 [0,2,0,0,0,0|0,0,2]=4 2697 B11R0.30 CC(=O)OCCCCOC(C)C 34a_100000212225_100000033659 [0,2,0,0,0,0|0,0,2]=4 2698 B11R0.30 CC(=O)OCCCCOC(C)C 7a_100000073216_100000210206 [0,2,0,0,0,0|0,0,2]=4 2699 B11R0.30 CC(=O)OCCCCSC(C)C 62a_100000033659_100000210206 [0,2,0,0,0,0|0,0,2]=4 2700 B11R0.30 CC(=O)OCCCCSC(C)C 62a_100000210206_100000033659 [0,2,0,0,0,0|0,0,2]=4 2701 B11R0.30 CC(=O)OCCCNCC(C)C 34a_100000210953_100000042594 [0,2,0,0,0,0|0,0,2]=4 2702 B11R0.30 CC(=O)OCCCNCC(C)O 34a_100000210904_100000042594 [0,2,0,0,0,0|0,0,2]=4 2703 B11R0.30 CC(=O)OCCCNCC(F)F 34a_100000765723_100000042594 [0,2,0,0,0,0|1,0,1]=4 2704 B11R0.30 CC(=O)OCCCOCC(C)Br 34a_100012180447_100000042594 [0,2,0,0,0,0|0,0,2]=4 2705 B11R0.30 CC(=O)OCCCOCC(C)C 34a_100000210257_100000042594 [0,2,0,0,0,0|0,0,2]=4 2706 B11R0.30 CC(=O)OCCCOCC(C)F 34a_100015925927_100000042594 [0,2,0,0,0,0|0,0,2]=4 2707 B11R0.30 CC(=O)OCCCOCC(F)F 34a_100000743014_100000042594 [0,2,0,0,0,0|1,0,1]=4 2708 B11R0.30 CC(=O)OCCCOC[C@@H](C)Cl 34a_100016084084_100000042594 [0,2,0,0,0,0|0,0,2]=4 2709 B11R0.30 CC(=O)OCCCOC[C@@H](C)N 34a_100000737577_100000042594 [0,2,0,0,0,0|0,0,2]=4 2710 B11R0.30 CC(=O)OCCCSCC(C)C 62a_100000042594_100000210760 [0,2,0,0,0,0|0,0,2]=4 2711 B11R0.30 CC(=O)OCCCSCC(C)C 62a_100000210624_100000042594 [0,2,0,0,0,0|0,0,2]=4 2712 B11R0.30 CC(=O)OCCCSCC(C)O 62a_100000042594_100011218427 [0,2,0,0,0,0|0,0,2]=4 2713 B11R0.30 CC(=O)OCCCSCC(C)O 62a_100011218427_100000042594 [0,2,0,0,0,0|0,0,2]=4 2714 B11R0.30 CC(=O)OCCCSCC(F)F 62a_100000042594_100011934356 [0,2,0,0,0,0|1,0,1]=4 2715 B11R0.30 CC(=O)OCCCSCC(F)F 62a_100011934356_100000042594 [0,2,0,0,0,0|1,0,1]=4 2716 B11R0.30 CC(=O)OCCCSC[C@@H](C)O 62a_100000042594_100009817552 [0,2,0,0,0,0|0,0,2]=4 2717 B11R0.30 CC(=O)OCCCSC[C@@H](C)O 62a_100009817552_100000042594 [0,2,0,0,0,0|0,0,2]=4 2718 B11R0.30 CC(=O)OCCNCC=C(C)C 34a_100000718196_100009814007 [0,2,0,0,0,0|0,0,2]=4 2719 B11R0.30 CC(=O)OCCOCC=C(C)C 34a_100000753907_100009814007 [0,2,0,0,0,0|0,0,2]=4 2720 B11R0.30 CC(=O)OCCOCCC(C)Br 34a_100009893172_100009814007 [0,2,0,0,0,0|0,0,2]=4 2721 B11R0.30 CC(=O)OCCOCCC(C)C 34a_100000210254_100009814007 [0,2,0,0,0,0|0,0,2]=4 2722 B11R0.30 CC(=O)OCCOCCC(C)C 7a_100000210254_100009814007 [0,2,0,0,0,0|0,0,2]=4 2723 B11R0.30 CC(=O)OCCOCCC(F)F 34a_100103093639_100009814007 [0,2,0,0,0,0|1,0,1]=4 2724 B11R0.30 CC(=O)OCCOCCN(C)C 2230a_100102631434_200000083610 [0,2,0,0,0,0|1,0,1]=4 2725 B11R0.30 CC(=O)OCCOCCN(C)C 269982a_100102631434_200000083610 [0,2,0,0,0,0|1,0,1]=4 2726 B11R0.30 CC(=O)OCCOCC[C@@H](C)N 34a_100000706166_100009814007 [0,2,0,0,0,0|0,0,2]=4 2727 B11R0.30 CC(=O)OCCOCNC(C)C 34a_100138425928_100000076355 [0,2,0,0,0,0|1,0,1]=4 2728 B11R0.30 CC(=O)OCCOCOC(C)C 34a_100000212225_100000076355 [0,2,0,0,0,0|1,0,1]=4 2729 B11R0.30 CC(=O)OCCOCSC(C)C 62a_100000076355_100000210206 [0,2,0,0,0,0|1,0,1]=4 2730 B11R0.30 CC(=O)OCCOCSC(C)C 62a_100000210206_100000076355 [0,2,0,0,0,0|1,0,1]=4 2731 B11R0.30 CC(=O)OCCSCC=C(C)C 62a_100000761012_100009814007 [0,2,0,0,0,0|0,0,2]=4 2732 B11R0.30 CC(=O)OCCSCC=C(C)C 62a_100009814007_100000761012 [0,2,0,0,0,0|0,0,2]=4 2733 B11R0.30 CC(=O)OCCSCCC(C)C 62a_100000210312_100009814007 [0,2,0,0,0,0|0,0,2]=4 2734 B11R0.30 CC(=O)OCCSCCC(C)C 62a_100009814007_100000210312 [0,2,0,0,0,0|0,0,2]=4 2735 B11R0.30 CC(=O)OCCSCCC(C)O 62a_100009814007_100012276601 [0,2,0,0,0,0|0,0,2]=4 2736 B11R0.30 CC(=O)OCCSCCC(C)O 62a_100012276601_100009814007 [0,2,0,0,0,0|0,0,2]=4 2737 B11R0.30 CC(=O)OCCSCCN(C)C 62a_100009814007_100000755713 [0,2,0,0,0,0|1,0,1]=4 2738 B11R0.30 CC(=O)OCCSCOC(C)C 62a_100000709892_100009814007 [0,2,0,0,0,0|1,0,1]=4 2739 B11R0.30 CC(=O)OCCSCOC(C)C 62a_100009814007_100000709892 [0,2,0,0,0,0|1,0,1]=4 2740 B11R0.30 CC(=O)OCNCCCC(C)C 34a_200000737386_100009813279 [0,2,0,0,0,0|0,0,2]=4 2741 B11R0.30 CC(=O)OCNCCOC(C)C 34a_100000701111_100009813279 [0,2,0,0,0,0|1,0,1]=4 2742 B11R0.30 CC(=O)OCNCCSC(C)C 34a_100000731138_100009813279 [0,2,0,0,0,0|1,0,1]=4 2743 B11R0.30 CC(=O)OCOCCCC(C)C 34a_100000210774_100009813279 [0,2,0,0,0,0|0,0,2]=4 2744 B11R0.30 CC(=O)OCOCCNC(C)C 34a_100000224655_100009813279 [0,2,0,0,0,0|1,0,1]=4 2745 B11R0.30 CC(=O)OCOCCOC(C)C 34a_100000211219_100009813279 [0,2,0,0,0,0|1,0,1]=4 2746 B11R0.30 CC(=O)OCOCCSC(C)C 34a_200011212901_100009813279 [0,2,0,0,0,0|1,0,1]=4 2747 B11R0.30 CC(=O)OCSC/C=C/B(O)O 62a_100000076356_100016262062 [0,2,0,0,0,0|2,0,0]=4 2748 B11R0.30 CC(=O)OCSC/C=C/B(O)O 62a_100016262062_100000076356 [0,2,0,0,0,0|2,0,0]=4 2749 B11R0.30 CC(=O)OCSCCC=C(C)C 62a_100000076356_100011217483 [0,2,0,0,0,0|0,0,2]=4 2750 B11R0.30 CC(=O)OCSCCC=C(C)C 62a_100011217483_100000076356 [0,2,0,0,0,0|0,0,2]=4 2751 B11R0.30 CC(=O)OCSCCCC(C)C 62a_100000076356_100011214892 [0,2,0,0,0,0|0,0,2]=4 2752 B11R0.30 CC(=O)OCSCCCC(C)C 62a_100011214892_100000076356 [0,2,0,0,0,0|0,0,2]=4 2753 B11R0.30 CC(=O)OCSCCCC(C)O 62a_100000076356_200000718107 [0,2,0,0,0,0|0,0,2]=4 2754 B11R0.30 CC(=O)OCSCCCC(C)O 62a_200000718107_100000076356 [0,2,0,0,0,0|0,0,2]=4 2755 B11R0.30 CC(=O)OCSCCOC(C)C 62a_100000076356_100000211751 [0,2,0,0,0,0|1,0,1]=4 2756 B11R0.30 CC(=O)OCSCCOC(C)C 62a_100000211751_100000076356 [0,2,0,0,0,0|1,0,1]=4 2757 B11R0.30 CC(=O)OCSCCSC(C)C 62a_100000076356_100000730970 [0,2,0,0,0,0|1,0,1]=4 2758 B11R0.30 CC(=O)OCSCCSC(C)C 62a_100000730970_100000076356 [0,2,0,0,0,0|1,0,1]=4 2759 B11R0.30 CC(C)/C=C/CCCCC(=O)[13CH3] 1458a_200016995844_200025704644 [0,2,0,0,0,0|1,0,0]=3 2760 B11R0.40 C#C/C(=C\COC/C=C\CC)/C 34a_100016990848_100103147603 [0,2,0,0,0,0|2,0,0]=4 2761 B11R0.40 C#CC(C)OCCC/C=C/CC 34a_100016287902_200000035995 [0,2,0,0,0,0|1,0,1]=4 2762 B11R0.40 C/C=C/C=C/COCC(=O)NC 34a_100016283227_100000183359 [0,2,0,0,0,0|0,0,2]=4 2763 B11R0.40 C/C=C/C=C/COCC(=O)OC 34a_100016283227_100000747449 [0,2,0,0,0,0|0,0,2]=4 2764 B11R0.40 C/C=C/COCCOC(=O)CC 7a_200000031056_100102629194 [0,2,0,0,0,0|0,0,2]=4 2765 B11R0.40 C/C=C/COCCOC(=O)NC 34a_100016270725_200011997002 [0,2,0,0,0,0|0,0,2]=4 2766 B11R0.40 C/C=C/COCCOC(=O)OC 34a_100010262106_100102629194 [0,2,0,0,0,0|0,0,2]=4 2767 B11R0.40 C/C=C/CSCCOC(=O)NC 62a_100102629194_200011997002 [0,2,0,0,0,0|0,0,2]=4 2768 B11R0.40 C/C=C/CSCCOC(=O)NC 62a_200011997002_100102629194 [0,2,0,0,0,0|0,0,2]=4 2769 B11R0.40 C=C(C#N)COCC/C=C\CC 34a_100016288707_100000694840 [0,2,0,0,0,0|1,0,1]=4 2770 B11R0.40 C=CC(C)COCC/C=C\CC 34a_100011215527_100015370543 [0,2,0,0,0,0|1,0,1]=4 2771 B11R0.40 C=CC(C)COCC/C=C\CC 7a_100011215527_100015370543 [0,2,0,0,0,0|1,0,1]=4 2772 B11R0.40 CC/C=C/CCCOC(C)C#N 7a_100016287902_100000703298 [0,2,0,0,0,0|1,0,1]=4 2773 B11R0.40 CC/C=C/CCCOC(C)CC 34a_100016287902_100011215416 [0,2,0,0,0,0|1,0,1]=4 2774 B11R0.40 CC/C=C/CCCOC(C)CC 7a_100016287902_100000758301 [0,2,0,0,0,0|1,0,1]=4 2775 B11R0.40 CC/C=C/CCCOC(C)CO 34a_100016287902_100012180447 [0,2,0,0,0,0|0,0,2]=4 2776 B11R0.40 CC/C=C/CCCOC(C)CO 7a_100016287902_100012180447 [0,2,0,0,0,0|0,0,2]=4 2777 B11R0.40 CC/C=C\CCNCC(=O)NC 2230a_100000693194_100015370543 [0,2,0,0,0,0|1,0,0]=3 2778 B11R0.40 CC/C=C\CCOCC(=O)CC 34a_100000725409_100015370543 [0,2,0,0,0,0|0,0,0]=2 2779 B11R0.40 CC/C=C\CCOCC(=O)CC 7a_100016288707_100000747405 [0,2,0,0,0,0|0,0,0]=2 2780 B11R0.40 CC/C=C\CCOCC(=O)NC 34a_100000750040_100015370543 [0,2,0,0,0,0|0,0,0]=2 2781 B11R0.40 CC/C=C\CCOCC(=O)NC 34a_100016288707_100000183359 [0,2,0,0,0,0|0,0,0]=2 2782 B11R0.40 CC/C=C\CCOCC(=O)NC 7a_100016288707_100000183359 [0,2,0,0,0,0|0,0,0]=2 2783 B11R0.40 CC/C=C\CCOCC(=O)OC 34a_100016288707_100000747449 [0,2,0,0,0,0|0,0,0]=2 2784 B11R0.40 CC/C=C\CCOCC(=O)OC 7a_100016288707_100000747449 [0,2,0,0,0,0|0,0,0]=2 2785 B11R0.40 CC/C=C\CCOCC(C)CC 34a_100016288707_100000748023 [0,2,0,0,0,0|1,0,1]=4 2786 B11R0.40 CC/C=C\CCOCC(C)CC 7a_100016288707_100000748023 [0,2,0,0,0,0|1,0,1]=4 2787 B11R0.40 CC/C=C\CCOCC(C)CN 34a_100000744482_100015370543 [0,2,0,0,0,0|1,0,1]=4 2788 B11R0.40 CC/C=C\CCOCC(C)OC 34a_100000690652_100015370543 [0,2,0,0,0,0|0,0,2]=4 2789 B11R0.40 CC/C=C\CCOCC(Cl)CCl 34a_100000033668_100015370543 [0,2,0,0,0,0|1,0,1]=4 2790 B11R0.40 CC/C=C\CCOCC(O)CC 34a_100016288707_100011218378 [0,2,0,0,0,0|0,0,2]=4 2791 B11R0.40 CC/C=C\CCOCC(O)CC 7a_100016288707_100011218378 [0,2,0,0,0,0|0,0,2]=4 2792 B11R0.40 CC/C=C\CCOCC(O)CO 34a_100016288707_100011219619 [0,2,0,0,0,0|0,0,2]=4 2793 B11R0.40 CC/C=C\CCOCC(O)CO 7a_100016288707_100011219619 [0,2,0,0,0,0|0,0,2]=4 2794 B11R0.40 CC/C=C\CCOC[C@@H](C)CC 34a_100016288707_100009816398 [0,2,0,0,0,0|1,0,1]=4 2795 B11R0.40 CC/C=C\CCOC[C@@H](C)CC 7a_100009816381_100015370543 [0,2,0,0,0,0|1,0,1]=4 2796 B11R0.40 CC/C=C\CCOC[C@@H](C)CC 7a_100016288707_100009816398 [0,2,0,0,0,0|1,0,1]=4 2797 B11R0.40 CC/C=C\CCOC[C@@H](C)CO 34a_100016288707_100000059175 [0,2,0,0,0,0|0,0,2]=4 2798 B11R0.40 CC/C=C\CCOC[C@@H](C)CO 7a_100016288707_100000059175 [0,2,0,0,0,0|0,0,2]=4 2799 B11R0.40 CC/C=C\CCOC[C@@H](O)CF 34a_100016288707_100015614560 [0,2,0,0,0,0|0,0,2]=4 2800 B11R0.40 CC/C=C\CCOC[C@@H](O)CF 7a_100016288707_100015614560 [0,2,0,0,0,0|0,0,2]=4 2801 B11R0.40 CC/C=C\CCOC[C@@H](O)CO 34a_100016288707_100009815848 [0,2,0,0,0,0|0,0,2]=4 2802 B11R0.40 CC/C=C\CCOC[C@@H](O)CO 7a_100016288707_100009815848 [0,2,0,0,0,0|0,0,2]=4 2803 B11R0.40 CC/C=C\CCOC[C@H](F)CN 34a_100015665980_100015370543 [0,2,0,0,0,0|1,0,1]=4 2804 B11R0.40 CC/C=C\CCSCC(=O)CC 62a_100000747405_100015370543 [0,2,0,0,0,0|0,1,0]=3 2805 B11R0.40 CC/C=C\CCSCC(=O)CC 62a_100015370543_100000747405 [0,2,0,0,0,0|0,1,0]=3 2806 B11R0.40 CC/C=C\CCSCC(=O)NC 62a_100000183359_100015370543 [0,2,0,0,0,0|0,1,0]=3 2807 B11R0.40 CC/C=C\CCSCC(=O)NC 62a_100015370543_100000183359 [0,2,0,0,0,0|0,1,0]=3 2808 B11R0.40 CC/C=C\CCSCC(=O)OC 62a_100000747449_100015370543 [0,2,0,0,0,0|0,1,0]=3 2809 B11R0.40 CC/C=C\CCSCC(=O)OC 62a_100015370543_100000747449 [0,2,0,0,0,0|0,1,0]=3 2810 B11R0.40 CC/C=C\CNCCC(=O)NC 2230a_100000738227_100103147603 [0,2,0,0,0,0|1,0,0]=3 2811 B11R0.40 CC/C=C\CNCCC(=O)NC 34a_100000738227_100103147603 [0,2,0,0,0,0|1,0,0]=3 2812 B11R0.40 CC/C=C\COCCC(=O)NC 34a_100000754576_100103147603 [0,2,0,0,0,0|1,0,0]=3 2813 B11R0.40 CC/C=C\COCCC(=O)NC 34a_100016268518_100012179268 [0,2,0,0,0,0|1,0,0]=3 2814 B11R0.40 CC/C=C\COCCC(=O)OC 34a_100016268518_100000742370 [0,2,0,0,0,0|1,0,0]=3 2815 B11R0.40 CC/C=C\CSCCC(=O)NC 62a_100000737683_100103147603 [0,2,0,0,0,0|1,0,0]=3 2816 B11R0.40 CC/C=C\CSCCC(=O)NC 62a_100103147603_100000737683 [0,2,0,0,0,0|1,0,0]=3 2817 B11R0.40 CC/C=C\CSCCC(=O)OC 62a_100000204255_100103147603 [0,2,0,0,0,0|1,0,0]=3 2818 B11R0.40 CC/C=C\CSCCC(=O)OC 62a_100103147603_100000204255 [0,2,0,0,0,0|1,0,0]=3 2819 B11R0.40 CC/C=C\CSCOC(=O)OC 62a_100103147603_100000139417 [0,2,0,0,0,0|0,0,0]=2 2820 B11R0.40 CC=C=CCCOCC(=O)NC 34a_100011020354_100000183359 [0,2,0,0,0,0|0,0,2]=4 2821 B11R0.40 CC=C=CCCOCC(=O)OC 34a_100011020354_100000747449 [0,2,0,0,0,0|0,0,2]=4 2822 B11R0.40 CC=CCCCOCC(=O)NC 34a_100020645299_100000183359 [0,2,0,0,0,0|0,0,2]=4 2823 B11R0.40 CC=CCCCOCC(=O)OC 34a_100020645299_100000747449 [0,2,0,0,0,0|0,0,2]=4 2824 B11R0.40 CC=CCOCCOC(=O)CC 7a_200000031056_100000070051 [0,2,0,0,0,0|0,0,2]=4 2825 B11R0.40 CC=CCOCCOC(=O)OC 34a_100010262106_100000070051 [0,2,0,0,0,0|0,0,2]=4 2826 B11R0.40 CC=CCSCCOC(=O)NC 62a_100000070051_200011997002 [0,2,0,0,0,0|0,0,2]=4 2827 B11R0.40 CC=CCSCCOC(=O)NC 62a_200011997002_100000070051 [0,2,0,0,0,0|0,0,2]=4 2828 B11R0.40 CCC#CCCOCC(=O)CC 7a_100000036655_100000747405 [0,2,0,0,0,0|0,0,2]=4 2829 B11R0.40 CCC#CCCOCC(=O)NC 34a_100000036655_100000183359 [0,2,0,0,0,0|0,0,2]=4 2830 B11R0.40 CCC#CCCOCC(=O)NC 7a_100000036655_100000183359 [0,2,0,0,0,0|0,0,2]=4 2831 B11R0.40 CCC#CCCOCC(=O)OC 34a_100000036655_100000747449 [0,2,0,0,0,0|0,0,2]=4 2832 B11R0.40 CCC#CCCOCC(=O)OC 7a_100000036655_100000747449 [0,2,0,0,0,0|0,0,2]=4 2833 B11R0.40 CCC#CCSCOC(=O)OC 62a_100009813939_100000139417 [0,2,0,0,0,0|0,0,2]=4 2834 B11R0.40 CCC(=O)OCCOCCCF 7a_200000031056_100011934791 [0,2,0,0,0,0|1,0,1]=4 2835 B11R0.40 CCC(=O)OCCOCCCO 7a_200000031056_100011215043 [0,2,0,0,0,0|1,0,1]=4 2836 B11R0.40 CCC(=O)OCCOCCOC 7a_200000031056_100000233755 [0,2,0,0,0,0|1,0,1]=4 2837 B11R0.40 CCC(=O)OCCOCCSC 7a_200000031056_100000212216 [0,2,0,0,0,0|1,0,1]=4 2838 B11R0.40 CCC/C=C/COCC(=O)CC 7a_100016278788_100000747405 [0,2,0,0,0,0|0,0,2]=4 2839 B11R0.40 CCC/C=C/COCC(=O)NC 34a_100016278788_100000183359 [0,2,0,0,0,0|0,0,2]=4 2840 B11R0.40 CCC/C=C/COCC(=O)NC 7a_100016278788_100000183359 [0,2,0,0,0,0|0,0,2]=4 2841 B11R0.40 CCC/C=C/COCC(=O)OC 34a_100016278788_100000747449 [0,2,0,0,0,0|0,0,2]=4 2842 B11R0.40 CCC/C=C/COCC(=O)OC 7a_100016278788_100000747449 [0,2,0,0,0,0|0,0,2]=4 2843 B11R0.40 CCCCCCOCC(=O)CC 34a_100000725409_100000210314 [0,2,0,0,0,0|0,0,2]=4 2844 B11R0.40 CCCCCCOCC(=O)CC 7a_100000210259_100000747405 [0,2,0,0,0,0|0,0,2]=4 2845 B11R0.40 CCCCCCOCC(=O)NC 34a_100000210259_100000183359 [0,2,0,0,0,0|0,0,2]=4 2846 B11R0.40 CCCCCCOCC(=O)NC 34a_100000750040_100000210314 [0,2,0,0,0,0|0,0,2]=4 2847 B11R0.40 CCCCCCOCC(=O)NC 7a_100000210259_100000183359 [0,2,0,0,0,0|0,0,2]=4 2848 B11R0.40 CCCCCCOCC(=O)OC 34a_100000210259_100000747449 [0,2,0,0,0,0|0,0,2]=4 2849 B11R0.40 CCCCCCOCC(=O)OC 7a_100000210259_100000747449 [0,2,0,0,0,0|0,0,2]=4 2850 B11R0.40 CCCCCSCOC(=O)OC 62a_100000210326_100000139417 [0,2,0,0,0,0|0,0,2]=4 2851 B11R0.40 CCCCNCCOC(=O)NC 7a_106832991798_200011997002 [0,2,0,0,0,0|0,0,2]=4 2852 B11R0.40 CCCCOCCOC(=O)CC 7a_200000031056_100000210211 [0,2,0,0,0,0|0,0,2]=4 2853 B11R0.40 CCCCOCCOC(=O)NC 34a_100000210227_200011997002 [0,2,0,0,0,0|0,0,2]=4 2854 B11R0.40 CCCCOCCOC(=O)NC 7a_100000210227_200011997002 [0,2,0,0,0,0|0,0,2]=4 2855 B11R0.40 CCCCOCCOC(=O)OC 34a_100010262106_100000210210 [0,2,0,0,0,0|0,0,2]=4 2856 B11R0.40 CCCCSCCOC(=O)NC 62a_100000210211_200011997002 [0,2,0,0,0,0|0,0,2]=4 2857 B11R0.40 CCCCSCCOC(=O)NC 62a_200011997002_100000210210 [0,2,0,0,0,0|0,0,2]=4 2858 B11R0.40 CCCOCCOCC(=O)CC 34a_100000725409_100011215938 [0,2,0,0,0,0|1,0,1]=4 2859 B11R0.40 CCCOCCOCC(=O)CC 7a_100000752267_100000747405 [0,2,0,0,0,0|1,0,1]=4 2860 B11R0.40 CCCOCCOCC(=O)NC 34a_100000750040_100011215938 [0,2,0,0,0,0|1,0,1]=4 2861 B11R0.40 CCCOCCOCC(=O)NC 34a_100000752267_100000183359 [0,2,0,0,0,0|1,0,1]=4 2862 B11R0.40 CCCOCCOCC(=O)NC 7a_100000752267_100000183359 [0,2,0,0,0,0|1,0,1]=4 2863 B11R0.40 CCCOCCOCC(=O)OC 34a_100000210258_100000090808 [0,2,0,0,0,0|1,0,1]=4 2864 B11R0.40 CCCOCCOCC(=O)OC 34a_100000752267_100000747449 [0,2,0,0,0,0|1,0,1]=4 2865 B11R0.40 CCCOCCOCC(=O)OC 7a_100000752267_100000747449 [0,2,0,0,0,0|1,0,1]=4 2866 B11R0.40 CCCSCCOCC(=O)CC 7a_200000230433_100000747405 [0,2,0,0,0,0|1,0,1]=4 2867 B11R0.40 CCCSCCOCC(=O)NC 34a_200000230433_100000183359 [0,2,0,0,0,0|1,0,1]=4 2868 B11R0.40 CCCSCCOCC(=O)NC 7a_200000230433_100000183359 [0,2,0,0,0,0|1,0,1]=4 2869 B11R0.40 CCCSCCOCC(=O)OC 34a_200000230433_100000747449 [0,2,0,0,0,0|1,0,1]=4 2870 B11R0.40 CCCSCCOCC(=O)OC 62a_100000090808_100000210303 [0,2,0,0,0,0|1,0,1]=4 2871 B11R0.40 CCCSCCOCC(=O)OC 62a_100000210303_100000090808 [0,2,0,0,0,0|1,0,1]=4 2872 B11R0.40 CCCSCCOCC(=O)OC 7a_200000230433_100000747449 [0,2,0,0,0,0|1,0,1]=4 2873 B11R0.40 CCNN=CCCCC(=O)OC 4a_100000756455_100000094087 [0,2,0,0,0,0|2,0,0]=4 2874 B11R0.40 CCOCCCOCC(=O)CC 34a_100000725409_100012232248 [0,2,0,0,0,0|1,0,1]=4 2875 B11R0.40 CCOCCCOCC(=O)CC 7a_100000757476_100000747405 [0,2,0,0,0,0|1,0,1]=4 2876 B11R0.40 CCOCCCOCC(=O)NC 34a_100000750040_100012232248 [0,2,0,0,0,0|1,0,1]=4 2877 B11R0.40 CCOCCCOCC(=O)NC 34a_100000757476_100000183359 [0,2,0,0,0,0|1,0,1]=4 2878 B11R0.40 CCOCCCOCC(=O)NC 7a_100000757476_100000183359 [0,2,0,0,0,0|1,0,1]=4 2879 B11R0.40 CCOCCCOCC(=O)OC 34a_100000757476_100000747449 [0,2,0,0,0,0|1,0,1]=4 2880 B11R0.40 CCOCCCOCC(=O)OC 7a_100000757476_100000747449 [0,2,0,0,0,0|1,0,1]=4 2881 B11R0.40 CCOCCSCOC(=O)OC 62a_100000210147_100000139417 [0,2,0,0,0,0|1,0,1]=4 2882 B11R0.40 CCOCSCCOC(=O)NC 62a_100000739092_200011997002 [0,2,0,0,0,0|1,0,1]=4 2883 B11R0.40 CCOCSCCOC(=O)NC 62a_200011997002_100000739092 [0,2,0,0,0,0|1,0,1]=4 2884 B11R0.40 CCSCCCOCC(=O)CC 7a_100011216438_100000747405 [0,2,0,0,0,0|1,0,1]=4 2885 B11R0.40 CCSCCCOCC(=O)NC 34a_100011216438_100000183359 [0,2,0,0,0,0|1,0,1]=4 2886 B11R0.40 CCSCCCOCC(=O)NC 7a_100011216438_100000183359 [0,2,0,0,0,0|1,0,1]=4 2887 B11R0.40 CCSCCCOCC(=O)OC 34a_100011216438_100000747449 [0,2,0,0,0,0|1,0,1]=4 2888 B11R0.40 CCSCCCOCC(=O)OC 7a_100011216438_100000747449 [0,2,0,0,0,0|1,0,1]=4 2889 B11R0.40 CCSCCSCOC(=O)OC 62a_100000757381_100000139417 [0,2,0,0,0,0|1,0,1]=4 2890 B11R0.40 CNC(=O)OCCNCCCF 34a_100015189416_200011997002 [0,2,0,0,0,0|1,0,1]=4 2891 B11R0.40 CNC(=O)OCCOCCCBr 34a_100011217188_200011997002 [0,2,0,0,0,0|1,0,1]=4 2892 B11R0.40 CNC(=O)OCCOCCCCl 34a_100000230001_200011997002 [0,2,0,0,0,0|1,0,1]=4 2893 B11R0.40 CNC(=O)OCCOCCCF 34a_100000759539_200011997002 [0,2,0,0,0,0|1,0,1]=4 2894 B11R0.40 CNC(=O)OCCOCCCN 34a_100000182051_200011997002 [0,2,0,0,0,0|1,0,1]=4 2895 B11R0.40 CNC(=O)OCCOCCOC 34a_100000210237_200011997002 [0,2,0,0,0,0|1,0,1]=4 2896 B11R0.40 CNC(=O)OCCOCCSC 34a_100000230434_200011997002 [0,2,0,0,0,0|1,0,1]=4 2897 B11R0.40 CNC(=O)OCCOCCSC 7a_100000230434_200011997002 [0,2,0,0,0,0|1,0,1]=4 2898 B11R0.40 CNC(=O)OCCSCCCF 62a_100011934791_200011997002 [0,2,0,0,0,0|1,0,1]=4 2899 B11R0.40 CNC(=O)OCCSCCCF 62a_200011997002_100011934791 [0,2,0,0,0,0|1,0,1]=4 2900 B11R0.40 CNC(=O)OCCSCCCO 62a_100011215043_200011997002 [0,2,0,0,0,0|1,0,1]=4 2901 B11R0.40 CNC(=O)OCCSCCCO 62a_200011997002_100011215043 [0,2,0,0,0,0|1,0,1]=4 2902 B11R0.40 CNC(=O)OCCSCCOC 62a_100000233755_200011997002 [0,2,0,0,0,0|1,0,1]=4 2903 B11R0.40 CNC(=O)OCCSCCOC 62a_200011997002_100000233755 [0,2,0,0,0,0|1,0,1]=4 2904 B11R0.40 CNC(=O)OCCSCCSC 62a_100000212216_200011997002 [0,2,0,0,0,0|1,0,1]=4 2905 B11R0.40 CNC(=O)OCCSCCSC 62a_200011997002_100000751147 [0,2,0,0,0,0|1,0,1]=4 2906 B11R0.40 COC(=O)OCCOCCCF 34a_100010262106_100011934791 [0,2,0,0,0,0|1,0,1]=4 2907 B11R0.40 COC(=O)OCCOCCCO 34a_100010262106_100000230001 [0,2,0,0,0,0|1,0,1]=4 2908 B11R0.40 COC(=O)OCCOCCSC 34a_100010262106_100000212216 [0,2,0,0,0,0|1,0,1]=4 2909 B11R0.40 COCCOCCOC(=O)OC 34a_100010262106_100011201679 [0,2,0,0,0,0|1,0,1]=4 2910 B11R0.42 C=C(C)C(=O)OCCCOCC 7a_100000032641_100000210202 [0,2,0,0,0,0|1,0,1]=4 2911 B11R0.42 C=C(C)C(=O)OCCOCCC 34a_100000210258_100009816335 [0,2,0,0,0,0|1,0,1]=4 2912 B11R0.42 C=C(C)C(=O)OCCSCCC 62a_100000210303_100009816335 [0,2,0,0,0,0|1,0,1]=4 2913 B11R0.42 C=C(C)C(=O)OCCSCCC 62a_100009816335_100000210303 [0,2,0,0,0,0|1,0,1]=4 2914 B11R0.42 CC/C=C\CCN[C@@H](C)C(=O)O 269956a_100000743915_100015370543 [0,2,0,0,0,0|1,0,1]=4 2915 B11R0.42 CC/C=C\CCN[C@H](C)C(=O)N 2230a_100000119354_100015370543 [0,2,0,0,0,0|1,0,1]=4 2916 B11R0.42 CC/C=C\CCN[C@H](C)C(=O)N 34a_100000119354_100015370543 [0,2,0,0,0,0|1,0,1]=4 2917 B11R0.42 CC/C=C\CCOC(C)C(=O)C 34a_100000212229_100015370543 [0,2,0,0,0,0|0,0,0]=2 2918 B11R0.42 CC/C=C\CCOC(C)C(=O)C 7a_100016288707_100000179758 [0,2,0,0,0,0|0,0,0]=2 2919 B11R0.42 CC/C=C\CCOC(C)C(=O)N 34a_100016288707_100000702099 [0,2,0,0,0,0|0,0,1]=3 2920 B11R0.42 CC/C=C\CCOC(C)C(=O)N 7a_100016288707_100000702099 [0,2,0,0,0,0|0,0,1]=3 2921 B11R0.42 CC/C=C\CCOC(C)C(C)C 7a_100000748068_100015370543 [0,2,0,0,0,0|1,0,1]=4 2922 B11R0.42 CC/C=C\CCOC(F)C(=O)N 34a_100016288707_100009813875 [0,2,0,0,0,0|1,0,0]=3 2923 B11R0.42 CC/C=C\CCOC(F)C(=O)N 7a_100016288707_100009813875 [0,2,0,0,0,0|1,0,0]=3 2924 B11R0.42 CC/C=C\CCOC(F)C(=O)[O-] 34a_100016288707_100020610796 [0,2,0,0,0,0|1,0,0]=3 2925 B11R0.42 CC/C=C\CCO[C@@H](C)C(=O)[O-] 7a_217856618621_100015370543 [0,2,0,0,0,0|0,0,1]=3 2926 B11R0.42 CC/C=C\CCO[C@H](C)C(=O)N 34a_100000731257_100015370543 [0,2,0,0,0,0|0,0,1]=3 2927 B11R0.42 CC/C=C\CCO[C@H](C)C(=O)N 7a_100000731257_100015370543 [0,2,0,0,0,0|0,0,1]=3 2928 B11R0.42 CC/C=C\CCSC(C)C(=O)C 62a_100009814033_100015370543 [0,2,0,0,0,0|0,1,0]=3 2929 B11R0.42 CC/C=C\CCSC(C)C(=O)C 62a_100015370543_100009814033 [0,2,0,0,0,0|0,1,0]=3 2930 B11R0.42 CC/C=C\CCSC(C)C(=O)N 62a_100000702099_100015370543 [0,2,0,0,0,0|0,1,1]=4 2931 B11R0.42 CC/C=C\CCSC(C)C(=O)N 62a_100015370543_100000702099 [0,2,0,0,0,0|0,1,1]=4 2932 B11R0.42 CC/C=C\CCSC(F)C(=O)N 62a_100009813875_100015370543 [0,2,0,0,0,0|1,1,0]=4 2933 B11R0.42 CC/C=C\CCSC(F)C(=O)N 62a_100015370543_100009813875 [0,2,0,0,0,0|1,1,0]=4 2934 B11R0.42 CC/C=C\CCSC(F)C(=O)[O-] 62a_100015370543_100020610796 [0,2,0,0,0,0|1,1,0]=4 2935 B11R0.42 CC/C=C\CCSC(F)C(=O)[O-] 62a_100020610796_100015370543 [0,2,0,0,0,0|1,1,0]=4 2936 B11R0.42 CC/C=C\CNCC(=O)N(C)C 2230a_100015183351_100103147603 [0,2,0,0,0,0|2,0,0]=4 2937 B11R0.42 CC/C=C\CNCC(C)C(=O)O 269956a_100000749485_100103147603 [0,2,0,0,0,0|2,0,0]=4 2938 B11R0.42 CC/C=C\CNCC(F)C(=O)O 269956a_100000084737_100103147603 [0,2,0,0,0,0|2,0,0]=4 2939 B11R0.42 CC/C=C\COCC(=O)C(=O)C 34a_100016268518_100011261029 [0,2,0,0,0,0|1,0,0]=3 2940 B11R0.42 CC/C=C\COCC(=O)C(C)C 34a_100016268518_100000753385 [0,2,0,0,0,0|2,0,0]=4 2941 B11R0.42 CC/C=C\COCC(=O)N(C)C 34a_100016268518_100000692301 [0,2,0,0,0,0|2,0,0]=4 2942 B11R0.42 CC/C=C\COCC(C)C(=O)C 34a_100000032740_100103147603 [0,2,0,0,0,0|1,0,0]=3 2943 B11R0.42 CC/C=C\COCC(C)C(=O)C 7a_100000032740_100103147603 [0,2,0,0,0,0|1,0,0]=3 2944 B11R0.42 CC/C=C\COC[C@H](N)C(=O)N 34a_100000729942_100103147603 [0,2,0,0,0,0|2,0,0]=4 2945 B11R0.42 CC/C=C\CSCC(=O)C(=O)C 62a_100011261029_100103147603 [0,2,0,0,0,0|1,0,0]=3 2946 B11R0.42 CC/C=C\CSCC(=O)C(=O)C 62a_100103147603_100011261029 [0,2,0,0,0,0|1,0,0]=3 2947 B11R0.42 CC/C=C\CSCC(=O)C(C)C 62a_100000753385_100103147603 [0,2,0,0,0,0|2,0,0]=4 2948 B11R0.42 CC/C=C\CSCC(=O)C(C)C 62a_100103147603_100000753385 [0,2,0,0,0,0|2,0,0]=4 2949 B11R0.42 CC/C=C\CSCC(=O)N(C)C 62a_100000692301_100103147603 [0,2,0,0,0,0|2,0,0]=4 2950 B11R0.42 CC/C=C\CSCC(=O)N(C)C 62a_100103147603_100000692301 [0,2,0,0,0,0|2,0,0]=4 2951 B11R0.42 CCC#CCCOC(C)C(=O)C 7a_100000036655_100000179758 [0,2,0,0,0,0|0,0,2]=4 2952 B11R0.42 CCC/C=C/COC(C)C(=O)C 7a_100016278788_100000179758 [0,2,0,0,0,0|0,0,2]=4 2953 B11R0.42 CCCCCCOC(C)C(=O)C 34a_100000212229_100000210314 [0,2,0,0,0,0|0,0,2]=4 2954 B11R0.42 CCCCCCOC(C)C(=O)C 7a_100000210259_100000179758 [0,2,0,0,0,0|0,0,2]=4 2955 B11R0.42 CCCOCCOC(C)C(=O)C 34a_100000212229_100011215938 [0,2,0,0,0,0|1,0,1]=4 2956 B11R0.42 CCCOCCOC(C)C(=O)C 7a_100000752267_100000179758 [0,2,0,0,0,0|1,0,1]=4 2957 B11R0.42 CCCSCCOC(C)C(=O)C 7a_200000230433_100000179758 [0,2,0,0,0,0|1,0,1]=4 2958 B11R0.42 CCOCCCOC(C)C(=O)C 34a_100000212229_100012232248 [0,2,0,0,0,0|1,0,1]=4 2959 B11R0.42 CCOCCCOC(C)C(=O)C 7a_100000757476_100000179758 [0,2,0,0,0,0|1,0,1]=4 2960 B11R0.42 CCSCCCOC(C)C(=O)C 7a_100011216438_100000179758 [0,2,0,0,0,0|1,0,1]=4 2961 B11R0.46 C=C(C)CCC(=O)C/C=C/CC 1458a_100016274230_100000730704 [0,2,0,0,0,0|2,0,0]=4 2962 B11R0.46 C=C(C)CCC(=O)C/C=C\CC 1458a_200000688413_100103147603 [0,2,0,0,0,0|2,0,0]=4 2963 B11R0.46 CC(=O)OCC(C)NCCCF 270004a_100015189416_100000000629 [0,2,0,0,0,0|1,0,1]=4 2964 B11R0.46 CC(=O)OCC(C)NCCCO 270004a_100000182051_100000000629 [0,2,0,0,0,0|1,0,1]=4 2965 B11R0.46 CC(=O)OCC(O)CNCCF 34a_100000724931_200000139349 [0,2,0,0,0,0|1,0,1]=4 2966 B11R0.46 CC(=O)OCC(O)CNCCO 34a_100016990907_200000139349 [0,2,0,0,0,0|1,0,1]=4 2967 B11R0.46 CC(=O)OCC(O)COCCBr 34a_100000211926_200000139349 [0,2,0,0,0,0|1,0,1]=4 2968 B11R0.46 CC(=O)OCC(O)COCCN 34a_100000210304_200000139349 [0,2,0,0,0,0|1,0,1]=4 2969 B11R0.46 CC(=O)OCC(O)CSCCF 62a_100011217306_200000139349 [0,2,0,0,0,0|1,0,1]=4 2970 B11R0.46 CC(=O)OCC(O)CSCCF 62a_200000139349_100011217306 [0,2,0,0,0,0|1,0,1]=4 2971 B11R0.46 CC(=O)OCC(O)CSCCO 62a_100000211926_200000139349 [0,2,0,0,0,0|1,0,1]=4 2972 B11R0.46 CC(=O)OCC(O)CSCCO 62a_200000139349_100000211926 [0,2,0,0,0,0|1,0,1]=4 2973 B11R0.46 CC/C=C/CC(=O)CC=C(C)C 1458a_100016274230_100000761012 [0,2,0,0,0,0|2,0,0]=4 2974 B11R0.46 CC/C=C/CC(=O)NNC(=O)C 22a_100000189765_100016274230 [0,2,0,0,0,0|1,0,1]=4 2975 B11R0.46 CC/C=C\CC(=O)CC=C(C)C 1458a_100011220947_100103147603 [0,2,0,0,0,0|2,0,0]=4 2976 B11R0.46 CC/C=C\CC(=O)CCC(=O)N 1458a_100011215257_100103147603 [0,2,0,0,0,0|2,0,0]=4 2977 B11R0.46 CC/C=C\CC(=O)CNC(=O)C 1458a_100000194580_100103147603 [0,2,0,0,0,0|1,0,0]=3 2978 B11R0.46 CC/C=C\CC(=O)CNC(=O)N 1458a_100000184981_100103147603 [0,2,0,0,0,0|2,0,0]=4 2979 B11R0.46 CC/C=C\CC(=O)COC(=O)C 1458a_100000183556_100103147603 [0,2,0,0,0,0|0,0,0]=2 2980 B11R0.46 CC/C=C\CC(=O)COC(C)C 1458a_100000745533_100103147603 [0,2,0,0,0,0|1,0,1]=4 2981 B11R0.46 CC/C=C\CC(=O)CSC(=O)C 1458a_100000049016_100103147603 [0,2,0,0,0,0|0,1,0]=3 2982 B11R0.46 CC/C=C\CN(C)CCC(=O)N 2230a_100000730477_100103147603 [0,2,0,0,0,0|2,0,0]=4 2983 B11R0.46 CCC#CCC(=O)COC(=O)C 1458a_100000183556_100009813939 [0,2,0,0,0,0|0,0,2]=4 2984 B11R0.46 CCCCCC(=O)COC(=O)C 1458a_100000183556_100000210326 [0,2,0,0,0,0|0,0,2]=4 2985 B11R0.46 CCCCCC(C)OCC(=O)C 34a_100000211253_200011218191 [0,2,0,0,0,0|0,0,2]=4 2986 B11R0.46 CCCCCN(C)COC(=O)C 269982a_100000223495_100000076356 [0,2,0,0,0,0|0,0,2]=4 2987 B11R0.46 CCCCNC(C)COC(=O)C 270004a_100000102301_100000000629 [0,2,0,0,0,0|0,0,2]=4 2988 B11R0.46 CCCOCC(=O)COC(=O)C 34a_100000210258_100000036994 [0,2,0,0,0,0|1,0,1]=4 2989 B11R0.46 CCCOCC(O)COC(=O)C 34a_100000210258_200000139349 [0,2,0,0,0,0|0,0,2]=4 2990 B11R0.46 CCCSCC(=O)COC(=O)C 62a_100000036994_100000210303 [0,2,0,0,0,0|1,0,1]=4 2991 B11R0.46 CCCSCC(=O)COC(=O)C 62a_100000210303_100000036994 [0,2,0,0,0,0|1,0,1]=4 2992 B11R0.46 CCCSCC(O)COC(=O)C 62a_100000210303_200000139349 [0,2,0,0,0,0|0,0,2]=4 2993 B11R0.46 CCCSCC(O)COC(=O)C 62a_200000139349_100000210303 [0,2,0,0,0,0|0,0,2]=4 2994 B11R0.46 CCOCCC(=O)COC(=O)C 1458a_100000183556_100011215890 [0,2,0,0,0,0|1,0,1]=4 2995 B11R0.46 CCSCCC(=O)COC(=O)C 1458a_100000183556_100000757381 [0,2,0,0,0,0|1,0,1]=4 2996 B11R0.46 COCCNC(C)COC(=O)C 270004a_100000209980_100000000629 [0,2,0,0,0,0|1,0,1]=4 2997 B11R0.46 COCSCC(O)COC(=O)C 62a_100000766300_200000139349 [0,2,0,0,0,0|1,0,1]=4 2998 B11R0.46 COCSCC(O)COC(=O)C 62a_200000139349_100000766300 [0,2,0,0,0,0|1,0,1]=4 2999 B11R0.46 CSCCNC(C)COC(=O)C 270004a_100020590264_100000000629 [0,2,0,0,0,0|1,0,1]=4 3000 B11R0.46 CSCSCC(O)COC(=O)C 62a_100011218213_200000139349 [0,2,0,0,0,0|1,0,1]=4 3001 B11R0.46 CSCSCC(O)COC(=O)C 62a_200000139349_100011218213 [0,2,0,0,0,0|1,0,1]=4 3002 B11R0.111 C#C/C(=C\COCOC(=O)C)/C 34a_100016990848_100009813279 [0,2,0,0,0,0|0,0,2]=4 3003 B11R0.111 C#CC(C)NCCCOC(=O)C 34a_100000707721_100000042594 [0,2,0,0,0,0|1,0,1]=4 3004 B11R0.111 C#CC(C)SCCCOC(=O)C 62a_200000035995_100000042594 [0,2,0,0,0,0|1,0,1]=4 3005 B11R0.111 C#C[C@@H](C)OCCCOC(=O)C 34a_100009815206_100000042594 [0,2,0,0,0,0|1,0,1]=4 3006 B11R0.111 C#C[C@@H](C)OCCCOC(=O)C 7a_100009815206_100000042594 [0,2,0,0,0,0|1,0,1]=4 3007 B11R0.111 C=C(C)COCCNC(=O)CC 34a_200000158885_100000748629 [0,2,0,0,0,0|2,0,0]=4 3008 B11R0.111 C=C(C)COCCNC(=O)CC 7a_200000158885_100000748629 [0,2,0,0,0,0|2,0,0]=4 3009 B11R0.111 C=C(C)COCCOC(=O)CC 7a_200000031056_100000748629 [0,2,0,0,0,0|2,0,0]=4 3010 B11R0.111 C=CC(C)COCCOC(=O)C 34a_100011215527_100009814007 [0,2,0,0,0,0|1,0,1]=4 3011 B11R0.111 C=CC(C)COCCOC(=O)C 7a_100011215527_100009814007 [0,2,0,0,0,0|1,0,1]=4 3012 B11R0.111 C=CC(C)OCCCOC(=O)C 34a_100000695699_100000042594 [0,2,0,0,0,0|1,0,1]=4 3013 B11R0.111 C=CC(C)SCCCOC(=O)C 62a_100011215867_100000042594 [0,2,0,0,0,0|1,0,1]=4 3014 B11R0.111 CC(=O)OCCCCC(=O)CO 1458a_100000210174_100000033659 [0,2,0,0,0,0|1,0,1]=4 3015 B11R0.111 CC(=O)OCCCOC(C)C#N 34a_100011218135_100000042594 [0,2,0,0,0,0|1,0,1]=4 3016 B11R0.111 CC(=O)OCCCOC(C)CF 34a_100016041109_100000042594 [0,2,0,0,0,0|1,0,1]=4 3017 B11R0.111 CC(=O)OCCCOC(C)CF 7a_100016041109_100000042594 [0,2,0,0,0,0|1,0,1]=4 3018 B11R0.111 CC(=O)OCCCOC(C)CN 34a_100000210904_100000042594 [0,2,0,0,0,0|1,0,1]=4 3019 B11R0.111 CC(=O)OCCCSC(C)C#N 62a_100000042594_100000703298 [0,2,0,0,0,0|1,0,1]=4 3020 B11R0.111 CC(=O)OCCCSC(C)C#N 62a_100000703298_100000042594 [0,2,0,0,0,0|1,0,1]=4 3021 B11R0.111 CC(=O)OCCCSC(C)CO 62a_100012180447_100000042594 [0,2,0,0,0,0|1,0,1]=4 3022 B11R0.111 CC(=O)OCCCS[C@H](C)CO 62a_100000042594_100016084084 [0,2,0,0,0,0|1,0,1]=4 3023 B11R0.111 CC(=O)OCCCS[C@H](C)CO 62a_100016084084_100000042594 [0,2,0,0,0,0|1,0,1]=4 3024 B11R0.111 CC(=O)OCCNCC(C)CO 34a_100000744482_100009814007 [0,2,0,0,0,0|1,0,1]=4 3025 B11R0.111 CC(=O)OCCNC[C@@H](F)CO 34a_100015665980_100009814007 [0,2,0,0,0,0|1,0,1]=4 3026 B11R0.111 CC(=O)OCCOCC(C)CN 34a_100000744482_100009814007 [0,2,0,0,0,0|1,0,1]=4 3027 B11R0.111 CC(=O)OCCOCC(Cl)CCl 34a_100000033668_100009814007 [0,2,0,0,0,0|1,0,1]=4 3028 B11R0.111 CC(=O)OCCOC[C@H](F)CN 34a_100015665980_100009814007 [0,2,0,0,0,0|1,0,1]=4 3029 B11R0.111 CC(=O)OCCSCC(O)CO 62a_100009814007_100011219619 [0,2,0,0,0,0|1,0,1]=4 3030 B11R0.111 CC(=O)OCCSCC(O)CO 62a_100011219619_100009814007 [0,2,0,0,0,0|1,0,1]=4 3031 B11R0.111 CC(=O)OCCSC[C@@H](C)CO 62a_100000059175_100009814007 [0,2,0,0,0,0|1,0,1]=4 3032 B11R0.111 CC(=O)OCCSC[C@@H](C)CO 62a_100009814007_100000059175 [0,2,0,0,0,0|1,0,1]=4 3033 B11R0.111 CC(=O)OCCSC[C@@H](O)CF 62a_100009814007_100015614560 [0,2,0,0,0,0|1,0,1]=4 3034 B11R0.111 CC(=O)OCCSC[C@@H](O)CF 62a_100015614560_100009814007 [0,2,0,0,0,0|1,0,1]=4 3035 B11R0.111 CC(=O)OCCSC[C@@H](O)CO 62a_100009814007_100009815848 [0,2,0,0,0,0|1,0,1]=4 3036 B11R0.111 CC(=O)OCCSC[C@@H](O)CO 62a_100009815848_100009814007 [0,2,0,0,0,0|1,0,1]=4 3037 B11R0.111 CCC(=O)CCCCOC(=O)C 1458a_100000210414_100000033659 [0,2,0,0,0,0|0,0,1]=3 3038 B11R0.111 CCC(=O)CCCCSC(=O)C 1458a_100000210414_200010402107 [0,2,0,0,0,0|0,1,1]=4 3039 B11R0.111 CCC(=O)COCCCC(=O)C 34a_100000725409_100000685027 [0,2,0,0,0,0|1,0,1]=4 3040 B11R0.111 CCC(=O)COCCCC(=O)C 7a_100000759063_100000747405 [0,2,0,0,0,0|1,0,1]=4 3041 B11R0.111 CCC(=O)COCCOC(=O)C 34a_100000725409_100009814007 [0,2,0,0,0,0|0,0,1]=3 3042 B11R0.111 CCC(=O)COCCOC(=O)N 34a_100000725409_200011214921 [0,2,0,0,0,0|1,0,1]=4 3043 B11R0.111 CCC(=O)COCCOC(=O)N 7a_100000766696_100000747405 [0,2,0,0,0,0|1,0,1]=4 3044 B11R0.111 CCC(=O)CSCCCC(=O)C 62a_100000747405_100011215641 [0,2,0,0,0,0|1,0,1]=4 3045 B11R0.111 CCC(=O)CSCCCC(=O)C 62a_100011215641_100000747405 [0,2,0,0,0,0|1,0,1]=4 3046 B11R0.111 CCC(=O)CSCCNC(=O)C 62a_100000189650_100000747405 [0,2,0,0,0,0|1,0,1]=4 3047 B11R0.111 CCC(=O)CSCCNC(=O)C 62a_100000747405_100000189650 [0,2,0,0,0,0|1,0,1]=4 3048 B11R0.111 CCC(=O)CSCCOC(=O)C 62a_100000747405_100009814007 [0,2,0,0,0,0|0,0,1]=3 3049 B11R0.111 CCC(=O)CSCCOC(=O)C 62a_100009814007_100000747405 [0,2,0,0,0,0|0,0,1]=3 3050 B11R0.111 CCC(=O)CSCCOC(=O)N 62a_100000747405_200011214921 [0,2,0,0,0,0|1,0,1]=4 3051 B11R0.111 CCC(=O)CSCCOC(=O)N 62a_200011214921_100000747405 [0,2,0,0,0,0|1,0,1]=4 3052 B11R0.111 CCC(=O)NCCCNC(=O)C 11a_100000736810_100000210414 [0,2,0,0,0,0|1,0,1]=4 3053 B11R0.111 CCC(=O)NCCCNC(=O)C 240690a_100000736810_100000210414 [0,2,0,0,0,0|1,0,1]=4 3054 B11R0.111 CCC(=O)NCCCNC(=O)C 527a_100000736810_100000210414 [0,2,0,0,0,0|1,0,1]=4 3055 B11R0.111 CCC(=O)NCCOCC(=O)N 34a_200000158885_100000187820 [0,2,0,0,0,0|2,0,0]=4 3056 B11R0.111 CCC(=O)NCCOCC(=O)N 7a_200000158885_100000187820 [0,2,0,0,0,0|2,0,0]=4 3057 B11R0.111 CCC(=O)NCCOCC(=O)[O-] 34a_200000158885_100020667443 [0,2,0,0,0,0|2,0,0]=4 3058 B11R0.111 CCC(=O)OCCOCC(=O)N 7a_200000031056_100000187820 [0,2,0,0,0,0|2,0,0]=4 3059 B11R0.111 CCC(=O)OCCOCC(C)C 7a_200000031056_100000210760 [0,2,0,0,0,0|1,0,1]=4 3060 B11R0.111 CCC(=O)OCCOCC(C)O 7a_200000031056_100011218427 [0,2,0,0,0,0|1,0,1]=4 3061 B11R0.111 CCC(=O)OCCOC[C@@H](C)O 7a_200000031056_100009817552 [0,2,0,0,0,0|1,0,1]=4 3062 B11R0.111 CCC(C)CSCCOC(=O)C 62a_100000748023_100009814007 [0,2,0,0,0,0|0,0,2]=4 3063 B11R0.111 CCC(C)CSCCOC(=O)C 62a_100009814007_100000748023 [0,2,0,0,0,0|0,0,2]=4 3064 B11R0.111 CCC(C)OCCCOC(=O)C 7a_100000210228_100000042594 [0,2,0,0,0,0|0,0,2]=4 3065 B11R0.111 CCC(C)SCCCOC(=O)C 62a_100000042594_100000758301 [0,2,0,0,0,0|0,0,2]=4 3066 B11R0.111 CCC(C)SCCCOC(=O)C 62a_100000758301_100000042594 [0,2,0,0,0,0|0,0,2]=4 3067 B11R0.111 CCC(O)CSCCOC(=O)C 62a_100009814007_100011218378 [0,2,0,0,0,0|0,0,2]=4 3068 B11R0.111 CCC(O)CSCCOC(=O)C 62a_100011218378_100009814007 [0,2,0,0,0,0|0,0,2]=4 3069 B11R0.111 CCN(C)CCCCOC(=O)C 269982a_100000225621_100000033659 [0,2,0,0,0,0|0,0,2]=4 3070 B11R0.111 CCN(C)COCCOC(=O)C 269982a_100000225621_100000076355 [0,2,0,0,0,0|1,0,1]=4 3071 B11R0.111 CC[C@H](C)COCCOC(=O)C 7a_100009816381_100009814007 [0,2,0,0,0,0|0,0,2]=4 3072 B11R0.111 CC[C@H](C)CSCCOC(=O)C 62a_100009814007_100009816398 [0,2,0,0,0,0|0,0,2]=4 3073 B11R0.111 CC[C@H](C)CSCCOC(=O)C 62a_100009816398_100009814007 [0,2,0,0,0,0|0,0,2]=4 3074 B11R0.111 CNC(=O)CCCOCC(=O)C 34a_100000211253_100000741757 [0,2,0,0,0,0|1,0,1]=4 3075 B11R0.111 CNC(=O)CCNCOC(=O)C 34a_100000738227_100009813279 [0,2,0,0,0,0|1,0,1]=4 3076 B11R0.111 CNC(=O)CCOCOC(=O)C 34a_100000754576_100009813279 [0,2,0,0,0,0|1,0,1]=4 3077 B11R0.111 CNC(=O)CCSCOC(=O)C 62a_100000076356_100000737683 [0,2,0,0,0,0|1,0,1]=4 3078 B11R0.111 CNC(=O)CCSCOC(=O)C 62a_100000737683_100000076356 [0,2,0,0,0,0|1,0,1]=4 3079 B11R0.111 CNC(=O)COCCOC(=O)C 34a_100000750040_100009814007 [0,2,0,0,0,0|1,0,1]=4 3080 B11R0.111 CNC(=O)CSCCOC(=O)C 62a_100000183359_100009814007 [0,2,0,0,0,0|1,0,1]=4 3081 B11R0.111 CNC(=O)CSCCOC(=O)C 62a_100009814007_100000183359 [0,2,0,0,0,0|1,0,1]=4 3082 B11R0.111 CNC(=O)OCCNCC(C)C 34a_100000210953_200011997002 [0,2,0,0,0,0|1,0,1]=4 3083 B11R0.111 CNC(=O)OCCNCC(C)O 34a_100000210904_200011997002 [0,2,0,0,0,0|1,0,1]=4 3084 B11R0.111 CNC(=O)OCCOCC(=O)C 34a_100000211253_200011997002 [0,2,0,0,0,0|2,0,0]=4 3085 B11R0.111 CNC(=O)OCCOCC(C)Br 34a_100012180447_200011997002 [0,2,0,0,0,0|1,0,1]=4 3086 B11R0.111 CNC(=O)OCCOCC(C)C 34a_100000210257_200011997002 [0,2,0,0,0,0|1,0,1]=4 3087 B11R0.111 CNC(=O)OCCOCC(C)F 34a_100015925927_200011997002 [0,2,0,0,0,0|1,0,1]=4 3088 B11R0.111 CNC(=O)OCCOC[C@@H](C)Cl 34a_100016084084_200011997002 [0,2,0,0,0,0|1,0,1]=4 3089 B11R0.111 CNC(=O)OCCOC[C@@H](C)N 34a_100000737577_200011997002 [0,2,0,0,0,0|1,0,1]=4 3090 B11R0.111 CNC(=O)OCCSCC(C)C 62a_100000210624_200011997002 [0,2,0,0,0,0|1,0,1]=4 3091 B11R0.111 CNC(=O)OCCSCC(C)C 62a_200011997002_100000210760 [0,2,0,0,0,0|1,0,1]=4 3092 B11R0.111 CNC(=O)OCCSCC(C)O 62a_100011218427_200011997002 [0,2,0,0,0,0|1,0,1]=4 3093 B11R0.111 CNC(=O)OCCSCC(C)O 62a_200011997002_100011218427 [0,2,0,0,0,0|1,0,1]=4 3094 B11R0.111 CNC(=O)OCCSC[C@@H](C)O 62a_100009817552_200011997002 [0,2,0,0,0,0|1,0,1]=4 3095 B11R0.111 CNC(=O)OCCSC[C@@H](C)O 62a_200011997002_100009817552 [0,2,0,0,0,0|1,0,1]=4 3096 B11R0.111 COC(=O)/C=C/COCC(=O)C 34a_100000211253_100000742655 [0,2,0,0,0,0|1,0,1]=4 3097 B11R0.111 COC(=O)CCCOCC(=O)C 34a_100000211253_100000742333 [0,2,0,0,0,0|1,0,1]=4 3098 B11R0.111 COC(=O)CCSCOC(=O)C 62a_100000076356_100000204255 [0,2,0,0,0,0|1,0,1]=4 3099 B11R0.111 COC(=O)CCSCOC(=O)C 62a_100000204255_100000076356 [0,2,0,0,0,0|1,0,1]=4 3100 B11R0.111 COC(=O)CSCCOC(=O)C 62a_100000747449_100009814007 [0,2,0,0,0,0|1,0,1]=4 3101 B11R0.111 COC(=O)CSCCOC(=O)C 62a_100009814007_100000747449 [0,2,0,0,0,0|1,0,1]=4 3102 B11R0.111 COC(=O)OCCOCC(C)C 34a_100010262106_100000210624 [0,2,0,0,0,0|1,0,1]=4 3103 B11R0.111 COC(=O)OCCOCC(C)O 34a_100010262106_100011218427 [0,2,0,0,0,0|1,0,1]=4 3104 B11R0.111 COC(=O)OCCOC[C@@H](C)O 34a_100010262106_100009817552 [0,2,0,0,0,0|1,0,1]=4 3105 B11R0.111 COC(=O)OCSCOC(=O)C 62a_100000076356_100000139417 [0,2,0,0,0,0|2,0,0]=4 3106 B11R0.111 COC(C)COCCOC(=O)C 34a_100000690652_100009814007 [0,2,0,0,0,0|1,0,1]=4 3107 B11R0.111 COC(C)SCCCOC(=O)C 62a_100000042594_100009879195 [0,2,0,0,0,0|1,0,1]=4 3108 B11R0.111 COC(C)SCCCOC(=O)C 62a_100009879195_100000042594 [0,2,0,0,0,0|1,0,1]=4 3109 B11R0.148 C#CCCCNCCOC(=O)C 34a_100000718082_100009814007 [0,2,0,0,0,0|1,0,1]=4 3110 B11R0.148 C#CCCCOCCOC(=O)C 34a_100000215630_100009814007 [0,2,0,0,0,0|1,0,1]=4 3111 B11R0.148 C#CCCCOCCOC(=O)C 7a_100000215630_100009814007 [0,2,0,0,0,0|1,0,1]=4 3112 B11R0.148 C#CCCCSCCOC(=O)C 62a_100009814007_100011215417 [0,2,0,0,0,0|1,0,1]=4 3113 B11R0.148 C#CCCCSCCOC(=O)C 62a_100011215417_100009814007 [0,2,0,0,0,0|1,0,1]=4 3114 B11R0.148 C#CCCNCCCOC(=O)C 34a_100000755551_100000042594 [0,2,0,0,0,0|1,0,1]=4 3115 B11R0.148 C#CCCOCCCOC(=O)C 34a_100011215631_100000042594 [0,2,0,0,0,0|1,0,1]=4 3116 B11R0.148 C#CCCSCCCOC(=O)C 62a_100000042594_100000688953 [0,2,0,0,0,0|1,0,1]=4 3117 B11R0.148 C#CCCSCCCOC(=O)C 62a_100000688953_100000042594 [0,2,0,0,0,0|1,0,1]=4 3118 B11R0.148 C/C=C/C=C/COCOC(=O)C 34a_100016283227_100009813279 [0,2,0,0,0,0|0,0,1]=3 3119 B11R0.148 C/C=C/CCOCCOC(=O)C 34a_100016278192_100009814007 [0,2,0,0,0,0|0,0,2]=4 3120 B11R0.148 C/C=C/COCCCOC(=O)C 34a_100016270725_100000042594 [0,2,0,0,0,0|0,0,2]=4 3121 B11R0.148 C/C=C/CSCCCOC(=O)C 62a_100000042594_100102629194 [0,2,0,0,0,0|0,0,2]=4 3122 B11R0.148 C/C=C/CSCCCOC(=O)C 62a_100102629194_100000042594 [0,2,0,0,0,0|0,0,2]=4 3123 B11R0.148 C=C(Br)CCOCC/C=C\CC 34a_100009813270_100015370543 [0,2,0,0,0,0|1,0,1]=4 3124 B11R0.148 C=C(C)CCOC/C=C/CCC 34a_100016278788_100000730704 [0,2,0,0,0,0|2,0,0]=4 3125 B11R0.148 C=C(C)CCOC/C=C/CCC 7a_100016278788_100000730704 [0,2,0,0,0,0|2,0,0]=4 3126 B11R0.148 C=C(C)CCOCC/C=C\CC 34a_100000764851_100015370543 [0,2,0,0,0,0|1,0,0]=3 3127 B11R0.148 C=C(C)CCOCC/C=C\CC 34a_100016288707_100000730704 [0,2,0,0,0,0|1,0,0]=3 3128 B11R0.148 C=C(C)CCOCC/C=C\CC 7a_100016288707_100000730704 [0,2,0,0,0,0|1,0,0]=3 3129 B11R0.148 C=C(C)CCSCC/C=C\CC 62a_100000730704_100015370543 [0,2,0,0,0,0|1,1,0]=4 3130 B11R0.148 C=C(C)CCSCC/C=C\CC 62a_100015370543_100000730704 [0,2,0,0,0,0|1,1,0]=4 3131 B11R0.148 C=C(C)COCCC/C=C/CC 34a_100016287902_100000748629 [0,2,0,0,0,0|1,0,0]=3 3132 B11R0.148 C=C(C)COCCC/C=C/CC 7a_100016287902_100000748629 [0,2,0,0,0,0|1,0,0]=3 3133 B11R0.148 C=C(F)COCCC/C=C/CC 34a_100016287902_100009893438 [0,2,0,0,0,0|1,0,1]=4 3134 B11R0.148 C=C(F)COCCC/C=C/CC 7a_100016287902_100000042424 [0,2,0,0,0,0|1,0,1]=4 3135 B11R0.148 C=CCCCNCCOC(=O)C 34a_100000700776_100009814007 [0,2,0,0,0,0|1,0,1]=4 3136 B11R0.148 C=CCCCOCCOC(=O)C 34a_100000758997_100009814007 [0,2,0,0,0,0|1,0,1]=4 3137 B11R0.148 C=CCCCOCCOC(=O)C 7a_100000758997_100009814007 [0,2,0,0,0,0|1,0,1]=4 3138 B11R0.148 C=CCCCSCCOC(=O)C 62a_100009814007_100000757094 [0,2,0,0,0,0|1,0,1]=4 3139 B11R0.148 C=CCCCSCCOC(=O)C 62a_100011713584_100009814007 [0,2,0,0,0,0|1,0,1]=4 3140 B11R0.148 C=CCCOCCCOC(=O)C 34a_100011205117_100000042594 [0,2,0,0,0,0|1,0,1]=4 3141 B11R0.148 C=CCCSCCCOC(=O)C 62a_100000042594_100000754431 [0,2,0,0,0,0|1,0,1]=4 3142 B11R0.148 C=CCCSCCCOC(=O)C 62a_100000754431_100000042594 [0,2,0,0,0,0|1,0,1]=4 3143 B11R0.148 CC#CCCOCCOC(=O)C 34a_100000750427_100009814007 [0,2,0,0,0,0|1,0,1]=4 3144 B11R0.148 CC#CCNCCCOC(=O)C 34a_100000685387_100000042594 [0,2,0,0,0,0|1,0,1]=4 3145 B11R0.148 CC#CCOCCCOC(=O)C 34a_100000761923_100000042594 [0,2,0,0,0,0|1,0,1]=4 3146 B11R0.148 CC#CCSCCCOC(=O)C 62a_100000042594_100000748600 [0,2,0,0,0,0|1,0,1]=4 3147 B11R0.148 CC#CCSCCCOC(=O)C 62a_100000748600_100000042594 [0,2,0,0,0,0|1,0,1]=4 3148 B11R0.148 CC(=O)COCCCCCCF 34a_100000211253_100015922095 [0,2,0,0,0,0|0,0,2]=4 3149 B11R0.148 CC(=O)COCCCCCCO 34a_100000211253_100000766143 [0,2,0,0,0,0|0,0,2]=4 3150 B11R0.148 CC(=O)OCCCCCSCF 62a_100000033007_100015361967 [0,2,0,0,0,0|0,0,2]=4 3151 B11R0.148 CC(=O)OCCCCCSCF 62a_100015361967_100000033007 [0,2,0,0,0,0|0,0,2]=4 3152 B11R0.148 CC(=O)OCCCCNCCF 34a_100000724931_100000033659 [0,2,0,0,0,0|0,0,2]=4 3153 B11R0.148 CC(=O)OCCCCNCCO 34a_100016990907_100000033659 [0,2,0,0,0,0|0,0,2]=4 3154 B11R0.148 CC(=O)OCCCCOCCBr 34a_100000211926_100000033659 [0,2,0,0,0,0|0,0,2]=4 3155 B11R0.148 CC(=O)OCCCCOCCF 34a_100000073216_100011217306 [0,2,0,0,0,0|0,0,2]=4 3156 B11R0.148 CC(=O)OCCCCOCCF 7a_100000073216_100011217306 [0,2,0,0,0,0|0,0,2]=4 3157 B11R0.148 CC(=O)OCCCCOCCN 34a_100000210304_100000033659 [0,2,0,0,0,0|0,0,2]=4 3158 B11R0.148 CC(=O)OCCCCOCCO 34a_100000073216_100000211926 [0,2,0,0,0,0|0,0,2]=4 3159 B11R0.148 CC(=O)OCCCCOCCO 7a_100000073216_100000211926 [0,2,0,0,0,0|0,0,2]=4 3160 B11R0.148 CC(=O)OCCCCSCCF 62a_100000033659_100011217306 [0,2,0,0,0,0|0,0,2]=4 3161 B11R0.148 CC(=O)OCCCCSCCF 62a_100011217306_100000033659 [0,2,0,0,0,0|0,0,2]=4 3162 B11R0.148 CC(=O)OCCCCSCCO 62a_100000033659_100000211926 [0,2,0,0,0,0|0,0,2]=4 3163 B11R0.148 CC(=O)OCCCCSCCO 62a_100000211926_100000033659 [0,2,0,0,0,0|0,0,2]=4 3164 B11R0.148 CC(=O)OCCCNCCCF 34a_100015189416_100000042594 [0,2,0,0,0,0|0,0,2]=4 3165 B11R0.148 CC(=O)OCCCOCCCBr 34a_100011217188_100000042594 [0,2,0,0,0,0|0,0,2]=4 3166 B11R0.148 CC(=O)OCCCOCCCCl 34a_100000230001_100000042594 [0,2,0,0,0,0|0,0,2]=4 3167 B11R0.148 CC(=O)OCCCOCCCF 34a_100000759539_100000042594 [0,2,0,0,0,0|0,0,2]=4 3168 B11R0.148 CC(=O)OCCCOCCCN 34a_100000182051_100000042594 [0,2,0,0,0,0|0,0,2]=4 3169 B11R0.148 CC(=O)OCCCOCCON 34a_100000700252_100000042594 [0,2,0,0,0,0|1,0,1]=4 3170 B11R0.148 CC(=O)OCCCSCCC#N 62a_100000042594_100011215226 [0,2,0,0,0,0|1,0,1]=4 3171 B11R0.148 CC(=O)OCCCSCCC#N 62a_100011215226_100000042594 [0,2,0,0,0,0|1,0,1]=4 3172 B11R0.148 CC(=O)OCCCSCCCF 62a_100000042594_100011934791 [0,2,0,0,0,0|0,0,2]=4 3173 B11R0.148 CC(=O)OCCCSCCCF 62a_100011934791_100000042594 [0,2,0,0,0,0|0,0,2]=4 3174 B11R0.148 CC(=O)OCCCSCCCO 62a_100000042594_100011215043 [0,2,0,0,0,0|0,0,2]=4 3175 B11R0.148 CC(=O)OCCCSCCCO 62a_100011215043_100000042594 [0,2,0,0,0,0|0,0,2]=4 3176 B11R0.148 CC(=O)OCCNCCCCO 34a_100000750430_100009814007 [0,2,0,0,0,0|0,0,2]=4 3177 B11R0.148 CC(=O)OCCOCCCCBr 34a_100011216708_100009814007 [0,2,0,0,0,0|0,0,2]=4 3178 B11R0.148 CC(=O)OCCOCCCCCl 34a_100000210776_100009814007 [0,2,0,0,0,0|0,0,2]=4 3179 B11R0.148 CC(=O)OCCOCCCCCl 7a_100000210776_100009814007 [0,2,0,0,0,0|0,0,2]=4 3180 B11R0.148 CC(=O)OCCOCCCCF 34a_100011995726_100009814007 [0,2,0,0,0,0|0,0,2]=4 3181 B11R0.148 CC(=O)OCCOCCCCF 7a_100011995726_100009814007 [0,2,0,0,0,0|0,0,2]=4 3182 B11R0.148 CC(=O)OCCOCCCCI 34a_200012148704_100009814007 [0,2,0,0,0,0|0,0,2]=4 3183 B11R0.148 CC(=O)OCCOCCCCN 34a_100000750430_100009814007 [0,2,0,0,0,0|0,0,2]=4 3184 B11R0.148 CC(=O)OCCOCCSCF 62a_100015361967_200000083610 [0,2,0,0,0,0|1,0,1]=4 3185 B11R0.148 CC(=O)OCCOCCSCF 62a_200000083610_100015361967 [0,2,0,0,0,0|1,0,1]=4 3186 B11R0.148 CC(=O)OCCOCNCCF 34a_100000724931_100000076355 [0,2,0,0,0,0|1,0,1]=4 3187 B11R0.148 CC(=O)OCCOCNCCO 34a_100016990907_100000076355 [0,2,0,0,0,0|1,0,1]=4 3188 B11R0.148 CC(=O)OCCOCOCCBr 34a_100000211926_100000076355 [0,2,0,0,0,0|1,0,1]=4 3189 B11R0.148 CC(=O)OCCOCOCCN 34a_100000210304_100000076355 [0,2,0,0,0,0|1,0,1]=4 3190 B11R0.148 CC(=O)OCCOCSCCF 62a_100000076355_100011217306 [0,2,0,0,0,0|1,0,1]=4 3191 B11R0.148 CC(=O)OCCOCSCCF 62a_100011217306_100000076355 [0,2,0,0,0,0|1,0,1]=4 3192 B11R0.148 CC(=O)OCCOCSCCO 62a_100000076355_100000211926 [0,2,0,0,0,0|1,0,1]=4 3193 B11R0.148 CC(=O)OCCOCSCCO 62a_100000211926_100000076355 [0,2,0,0,0,0|1,0,1]=4 3194 B11R0.148 CC(=O)OCCSCCCC#N 62a_100000687738_100009814007 [0,2,0,0,0,0|1,0,1]=4 3195 B11R0.148 CC(=O)OCCSCCCC#N 62a_100009814007_100000687738 [0,2,0,0,0,0|1,0,1]=4 3196 B11R0.148 CC(=O)OCCSCCCC=O 62a_100009814007_200011292268 [0,2,0,0,0,0|1,0,1]=4 3197 B11R0.148 CC(=O)OCCSCCCC=O 62a_200011292268_100009814007 [0,2,0,0,0,0|1,0,1]=4 3198 B11R0.148 CC(=O)OCCSCCCCF 62a_100000729493_100009814007 [0,2,0,0,0,0|0,0,2]=4 3199 B11R0.148 CC(=O)OCCSCCCCF 62a_100009814007_100000729493 [0,2,0,0,0,0|0,0,2]=4 3200 B11R0.148 CC(=O)OCCSCCCCO 62a_100000210776_100009814007 [0,2,0,0,0,0|0,0,2]=4 3201 B11R0.148 CC(=O)OCCSCCCCO 62a_100009814007_100000210776 [0,2,0,0,0,0|0,0,2]=4 3202 B11R0.148 CC(=O)OCNCCCCCO 34a_100000762737_100009813279 [0,2,0,0,0,0|0,0,2]=4 3203 B11R0.148 CC(=O)OCNCCOCCO 34a_100000211614_100009813279 [0,2,0,0,0,0|1,0,1]=4 3204 B11R0.148 CC(=O)OCOCCCCCBr 34a_100000746331_100009813279 [0,2,0,0,0,0|0,0,2]=4 3205 B11R0.148 CC(=O)OCOCCCCCCl 34a_100000746330_100009813279 [0,2,0,0,0,0|0,0,2]=4 3206 B11R0.148 CC(=O)OCOCCCCCI 34a_200012148887_100009813279 [0,2,0,0,0,0|0,0,2]=4 3207 B11R0.148 CC(=O)OCOCCCCCN 34a_100000762737_100009813279 [0,2,0,0,0,0|0,0,2]=4 3208 B11R0.148 CC(=O)OCOCCOCCBr 34a_100000692535_100009813279 [0,2,0,0,0,0|1,0,1]=4 3209 B11R0.148 CC(=O)OCOCCOCCCl 34a_100011215305_100009813279 [0,2,0,0,0,0|1,0,1]=4 3210 B11R0.148 CC(=O)OCOCCOCCF 34a_200015357709_100009813279 [0,2,0,0,0,0|1,0,1]=4 3211 B11R0.148 CC(=O)OCOCCOCCI 34a_100012149058_100009813279 [0,2,0,0,0,0|1,0,1]=4 3212 B11R0.148 CC(=O)OCOCCOCCN 34a_100000211614_100009813279 [0,2,0,0,0,0|1,0,1]=4 3213 B11R0.148 CC(=O)OCSCCCCCF 62a_100000076356_100000729378 [0,2,0,0,0,0|0,0,2]=4 3214 B11R0.148 CC(=O)OCSCCCCCF 62a_100000729378_100000076356 [0,2,0,0,0,0|0,0,2]=4 3215 B11R0.148 CC(=O)OCSCCCCCO 62a_100000076356_100000746330 [0,2,0,0,0,0|0,0,2]=4 3216 B11R0.148 CC(=O)OCSCCCCCO 62a_100000746330_100000076356 [0,2,0,0,0,0|0,0,2]=4 3217 B11R0.148 CC(=O)OCSCCOCCO 62a_100000076356_100011215305 [0,2,0,0,0,0|1,0,1]=4 3218 B11R0.148 CC(=O)OCSCCOCCO 62a_100011215305_100000076356 [0,2,0,0,0,0|1,0,1]=4 3219 B11R0.148 CC/C=C/CCCOCC(=O)N 34a_100016287902_100000187820 [0,2,0,0,0,0|1,0,0]=3 3220 B11R0.148 CC/C=C/CCCOCC(=O)N 7a_100016287902_100000187820 [0,2,0,0,0,0|1,0,0]=3 3221 B11R0.148 CC/C=C/CCCOCC(=O)[O-] 34a_100016287902_100020667443 [0,2,0,0,0,0|1,0,0]=3 3222 B11R0.148 CC/C=C/CCCOCC(C)C 34a_100016287902_100000210624 [0,2,0,0,0,0|1,0,1]=4 3223 B11R0.148 CC/C=C/CCCOCC(C)C 7a_100016287902_100000210760 [0,2,0,0,0,0|1,0,1]=4 3224 B11R0.148 CC/C=C/CCCOCC(C)O 34a_100016287902_100011218427 [0,2,0,0,0,0|0,0,2]=4 3225 B11R0.148 CC/C=C/CCCOCC(C)O 7a_100016287902_100011218427 [0,2,0,0,0,0|0,0,2]=4 3226 B11R0.148 CC/C=C/CCCOC[C@@H](C)O 34a_100016287902_100009817552 [0,2,0,0,0,0|0,0,2]=4 3227 B11R0.148 CC/C=C/CCCOC[C@@H](C)O 7a_100016287902_100009817552 [0,2,0,0,0,0|0,0,2]=4 3228 B11R0.148 CC/C=C/CCCOC[N+](=O)[O-] 34a_100016287902_100000761209 [0,2,0,0,0,0|2,0,0]=4 3229 B11R0.148 CC/C=C\CCC=NNC(=O)C 4a_100000189765_100016279218 [0,2,0,0,0,0|1,0,0]=3 3230 B11R0.148 CC/C=C\CCCCOC(C)C 34a_100016287862_100000210206 [0,2,0,0,0,0|1,0,1]=4 3231 B11R0.148 CC/C=C\CCCCOC(C)C 7a_100016287862_100000210206 [0,2,0,0,0,0|1,0,1]=4 3232 B11R0.148 CC/C=C\CCNCC=C(C)C 34a_100000718196_100015370543 [0,2,0,0,0,0|2,0,0]=4 3233 B11R0.148 CC/C=C\CCNOCC(=O)O 269956a_100000106656_100015370543 [0,2,0,0,0,0|1,0,0]=3 3234 B11R0.148 CC/C=C\CCOCC=C(C)C 34a_100000753907_100015370543 [0,2,0,0,0,0|1,0,0]=3 3235 B11R0.148 CC/C=C\CCOCC=C(C)C 34a_100016288707_100000761012 [0,2,0,0,0,0|1,0,0]=3 3236 B11R0.148 CC/C=C\CCOCC=C(C)C 7a_100016288707_100000761012 [0,2,0,0,0,0|1,0,0]=3 3237 B11R0.148 CC/C=C\CCOCCC(=O)C 34a_100000759926_100015370543 [0,2,0,0,0,0|0,0,0]=2 3238 B11R0.148 CC/C=C\CCOCCC(=O)C 7a_100000759926_100015370543 [0,2,0,0,0,0|0,0,0]=2 3239 B11R0.148 CC/C=C\CCOCCC(=O)C 7a_100016288707_100000053229 [0,2,0,0,0,0|0,0,0]=2 3240 B11R0.148 CC/C=C\CCOCCC(=O)N 34a_100000757172_100015370543 [0,2,0,0,0,0|1,0,0]=3 3241 B11R0.148 CC/C=C\CCOCCC(=O)N 34a_100016288707_100000731001 [0,2,0,0,0,0|1,0,0]=3 3242 B11R0.148 CC/C=C\CCOCCC(=O)N 7a_100000757172_100015370543 [0,2,0,0,0,0|1,0,0]=3 3243 B11R0.148 CC/C=C\CCOCCC(=O)N 7a_100016288707_100000744528 [0,2,0,0,0,0|1,0,0]=3 3244 B11R0.148 CC/C=C\CCOCCC(C)Br 34a_100009893172_100015370543 [0,2,0,0,0,0|1,0,1]=4 3245 B11R0.148 CC/C=C\CCOCCC(C)C 34a_100000210254_100015370543 [0,2,0,0,0,0|1,0,1]=4 3246 B11R0.148 CC/C=C\CCOCCC(C)C 34a_100016288707_100000210312 [0,2,0,0,0,0|1,0,1]=4 3247 B11R0.148 CC/C=C\CCOCCC(C)C 7a_100000210254_100015370543 [0,2,0,0,0,0|1,0,1]=4 3248 B11R0.148 CC/C=C\CCOCCC(C)C 7a_100016288707_100000210626 [0,2,0,0,0,0|1,0,1]=4 3249 B11R0.148 CC/C=C\CCOCCC(C)O 34a_100016288707_100012276601 [0,2,0,0,0,0|0,0,2]=4 3250 B11R0.148 CC/C=C\CCOCCC(C)O 7a_100016288707_100012276601 [0,2,0,0,0,0|0,0,2]=4 3251 B11R0.148 CC/C=C\CCOCCN(C)C 7a_100016288707_100000755713 [0,2,0,0,0,0|2,0,0]=4 3252 B11R0.148 CC/C=C\CCOCC[C@@H](C)N 34a_100000706166_100015370543 [0,2,0,0,0,0|1,0,1]=4 3253 B11R0.148 CC/C=C\CCOCOC(=O)C 34a_100016288707_100009813279 [0,2,0,0,0,0|0,0,0]=2 3254 B11R0.148 CC/C=C\CCOCOC(C)C 34a_100016288707_100000709892 [0,2,0,0,0,0|1,0,1]=4 3255 B11R0.148 CC/C=C\CCSCC=C(C)C 62a_100000761012_100015370543 [0,2,0,0,0,0|1,1,0]=4 3256 B11R0.148 CC/C=C\CCSCC=C(C)C 62a_100015370543_100000761012 [0,2,0,0,0,0|1,1,0]=4 3257 B11R0.148 CC/C=C\CCSCCC(=O)C 62a_100000053229_100015370543 [0,2,0,0,0,0|0,1,0]=3 3258 B11R0.148 CC/C=C\CCSCCC(=O)C 62a_100015370543_100000053229 [0,2,0,0,0,0|0,1,0]=3 3259 B11R0.148 CC/C=C\CCSCCC(=O)N 62a_100000744528_100015370543 [0,2,0,0,0,0|1,1,0]=4 3260 B11R0.148 CC/C=C\CCSCCC(=O)N 62a_100015370543_100000744528 [0,2,0,0,0,0|1,1,0]=4 3261 B11R0.148 CC/C=C\CCSCOC(=O)C 62a_100000076356_100015370543 [0,2,0,0,0,0|0,0,0]=2 3262 B11R0.148 CC/C=C\CCSCOC(=O)C 62a_100015370543_100000076356 [0,2,0,0,0,0|0,0,0]=2 3263 B11R0.148 CC/C=C\CCSCOC(C)C 62a_100000709892_100015370543 [0,2,0,0,0,0|1,0,1]=4 3264 B11R0.148 CC/C=C\CCSCOC(C)C 62a_100015370543_100000709892 [0,2,0,0,0,0|1,0,1]=4 3265 B11R0.148 CC/C=C\CNCCCC(=O)N 34a_100000739312_100103147603 [0,2,0,0,0,0|2,0,0]=4 3266 B11R0.148 CC/C=C\CNCCCS(=O)C 2230a_200000753449_100103147603 [0,2,0,0,0,0|2,0,0]=4 3267 B11R0.148 CC/C=C\CNCCNC(=O)C 2230a_100000209853_100103147603 [0,2,0,0,0,0|1,0,0]=3 3268 B11R0.148 CC/C=C\CNCCNC(=O)N 34a_100020590234_100103147603 [0,2,0,0,0,0|2,0,0]=4 3269 B11R0.148 CC/C=C\CNCCOC(C)C 2230a_100000701111_100103147603 [0,2,0,0,0,0|1,0,1]=4 3270 B11R0.148 CC/C=C\CNCCOC(C)C 34a_100000701111_100103147603 [0,2,0,0,0,0|1,0,1]=4 3271 B11R0.148 CC/C=C\COCCC=C(C)C 34a_100016268518_100011217483 [0,2,0,0,0,0|2,0,0]=4 3272 B11R0.148 CC/C=C\COCCCC(=O)C 34a_100000759063_100103147603 [0,2,0,0,0,0|1,0,0]=3 3273 B11R0.148 CC/C=C\COCCCC(=O)C 34a_100016268518_100000685027 [0,2,0,0,0,0|1,0,0]=3 3274 B11R0.148 CC/C=C\COCCCC(=O)C 7a_100000759063_100103147603 [0,2,0,0,0,0|1,0,0]=3 3275 B11R0.148 CC/C=C\COCCCC(=O)N 34a_100016268518_100102525003 [0,2,0,0,0,0|2,0,0]=4 3276 B11R0.148 CC/C=C\COCCNC(=O)C 34a_100000158858_100103147603 [0,2,0,0,0,0|1,0,0]=3 3277 B11R0.148 CC/C=C\COCCNC(=O)N 34a_100000181757_100103147603 [0,2,0,0,0,0|2,0,0]=4 3278 B11R0.148 CC/C=C\COCCOC(=O)C 34a_100016268518_100009814007 [0,2,0,0,0,0|0,0,0]=2 3279 B11R0.148 CC/C=C\COCCOC(=O)N 34a_100016268518_200011214921 [0,2,0,0,0,0|1,0,0]=3 3280 B11R0.148 CC/C=C\COCCOC(=O)N 7a_100000766696_100103147603 [0,2,0,0,0,0|1,0,0]=3 3281 B11R0.148 CC/C=C\COCCOC(C)C 34a_100000211219_100103147603 [0,2,0,0,0,0|1,0,1]=4 3282 B11R0.148 CC/C=C\COCCOC(C)C 34a_100016268518_100000211751 [0,2,0,0,0,0|1,0,1]=4 3283 B11R0.148 CC/C=C\COCCOC(C)C 7a_100000211219_100103147603 [0,2,0,0,0,0|1,0,1]=4 3284 B11R0.148 CC/C=C\CSCCC=C(C)C 62a_100011217483_100103147603 [0,2,0,0,0,0|2,0,0]=4 3285 B11R0.148 CC/C=C\CSCCC=C(C)C 62a_100103147603_100011217483 [0,2,0,0,0,0|2,0,0]=4 3286 B11R0.148 CC/C=C\CSCCCC(=O)C 62a_100011215641_100103147603 [0,2,0,0,0,0|1,0,0]=3 3287 B11R0.148 CC/C=C\CSCCCC(=O)C 62a_100103147603_100011215641 [0,2,0,0,0,0|1,0,0]=3 3288 B11R0.148 CC/C=C\CSCCCC(=O)N 62a_100102525003_100103147603 [0,2,0,0,0,0|2,0,0]=4 3289 B11R0.148 CC/C=C\CSCCCC(=O)N 62a_100103147603_100102525003 [0,2,0,0,0,0|2,0,0]=4 3290 B11R0.148 CC/C=C\CSCCNC(=O)C 62a_100000189650_100103147603 [0,2,0,0,0,0|1,0,0]=3 3291 B11R0.148 CC/C=C\CSCCNC(=O)C 62a_100103147603_100000189650 [0,2,0,0,0,0|1,0,0]=3 3292 B11R0.148 CC/C=C\CSCCNC(=O)N 62a_100103147603_200000034859 [0,2,0,0,0,0|2,0,0]=4 3293 B11R0.148 CC/C=C\CSCCNC(=O)N 62a_200000034859_100103147603 [0,2,0,0,0,0|2,0,0]=4 3294 B11R0.148 CC/C=C\CSCCOC(=O)C 62a_100009814007_100103147603 [0,2,0,0,0,0|0,0,0]=2 3295 B11R0.148 CC/C=C\CSCCOC(=O)C 62a_100103147603_100009814007 [0,2,0,0,0,0|0,0,0]=2 3296 B11R0.148 CC/C=C\CSCCOC(=O)N 62a_100103147603_200011214921 [0,2,0,0,0,0|1,0,0]=3 3297 B11R0.148 CC/C=C\CSCCOC(=O)N 62a_200011214921_100103147603 [0,2,0,0,0,0|1,0,0]=3 3298 B11R0.148 CC/C=C\CSCCOC(C)C 62a_100000211751_100103147603 [0,2,0,0,0,0|1,0,1]=4 3299 B11R0.148 CC/C=C\CSCCOC(C)C 62a_100103147603_100000211751 [0,2,0,0,0,0|1,0,1]=4 3300 B11R0.148 CC=C=CCCOCOC(=O)C 34a_100011020354_100009813279 [0,2,0,0,0,0|0,0,2]=4 3301 B11R0.148 CC=CCCCOCOC(=O)C 34a_100020645299_100009813279 [0,2,0,0,0,0|0,0,2]=4 3302 B11R0.148 CC=CCSCCCOC(=O)C 62a_100000042594_100000070051 [0,2,0,0,0,0|0,0,2]=4 3303 B11R0.148 CC=CCSCCCOC(=O)C 62a_100000070051_100000042594 [0,2,0,0,0,0|0,0,2]=4 3304 B11R0.148 CCC#CCCOCCC(=O)C 7a_100000036655_100000053229 [0,2,0,0,0,0|0,0,2]=4 3305 B11R0.148 CCC#CCCOCOC(=O)C 34a_100000036655_100009813279 [0,2,0,0,0,0|0,0,2]=4 3306 B11R0.148 CCC#CCOCCOC(=O)C 34a_100000032950_100009814007 [0,2,0,0,0,0|0,0,2]=4 3307 B11R0.148 CCC#CCSCCOC(=O)C 62a_100009813939_100009814007 [0,2,0,0,0,0|0,0,2]=4 3308 B11R0.148 CCC#CCSCCOC(=O)C 62a_100009814007_100009813939 [0,2,0,0,0,0|0,0,2]=4 3309 B11R0.148 CCC/C=C/COCC=C(C)C 34a_100016278788_100000761012 [0,2,0,0,0,0|2,0,0]=4 3310 B11R0.148 CCC/C=C/COCC=C(C)C 7a_100016278788_100000761012 [0,2,0,0,0,0|2,0,0]=4 3311 B11R0.148 CCC/C=C/COCCC(=O)C 7a_100016278788_100000053229 [0,2,0,0,0,0|1,0,0]=3 3312 B11R0.148 CCC/C=C/COCCC(=O)N 34a_100016278788_100000731001 [0,2,0,0,0,0|2,0,0]=4 3313 B11R0.148 CCC/C=C/COCCC(=O)N 7a_100016278788_100000744528 [0,2,0,0,0,0|2,0,0]=4 3314 B11R0.148 CCC/C=C/COCOC(=O)C 34a_100016278788_100009813279 [0,2,0,0,0,0|0,0,0]=2 3315 B11R0.148 CCC/C=C/COCOC(C)C 34a_100016278788_100000709892 [0,2,0,0,0,0|1,0,1]=4 3316 B11R0.148 CCCC#CCOCOC(=O)C 34a_100000034806_100009813279 [0,2,0,0,0,0|0,0,2]=4 3317 B11R0.148 CCCC/C=C\CCOC(C)C 34a_200016286491_100000210206 [0,2,0,0,0,0|1,0,1]=4 3318 B11R0.148 CCCC/C=C\CCOC(C)C 7a_200016286491_100000210206 [0,2,0,0,0,0|1,0,1]=4 3319 B11R0.148 CCCCCCCOCC(=O)C 34a_100000211253_100000210614 [0,2,0,0,0,0|0,0,2]=4 3320 B11R0.148 CCCCCCOCCC(=O)C 34a_100000759926_100000210314 [0,2,0,0,0,0|0,0,2]=4 3321 B11R0.148 CCCCCCOCCC(=O)C 7a_100000210259_100000053229 [0,2,0,0,0,0|0,0,2]=4 3322 B11R0.148 CCCCCCOCCC(=O)C 7a_100000759926_100000210314 [0,2,0,0,0,0|0,0,2]=4 3323 B11R0.148 CCCCCCOCOC(=O)C 34a_100000210259_100009813279 [0,2,0,0,0,0|0,0,2]=4 3324 B11R0.148 CCCCCCSCOC(=O)C 62a_100000076356_100000210757 [0,2,0,0,0,0|0,0,2]=4 3325 B11R0.148 CCCCCCSCOC(=O)C 62a_100000210314_100000076356 [0,2,0,0,0,0|0,0,2]=4 3326 B11R0.148 CCCCCOCCOC(=O)C 34a_100000210253_100009814007 [0,2,0,0,0,0|0,0,2]=4 3327 B11R0.148 CCCCCOCCOC(=O)C 7a_100000210253_100009814007 [0,2,0,0,0,0|0,0,2]=4 3328 B11R0.148 CCCCCSCCOC(=O)C 62a_100000210326_100009814007 [0,2,0,0,0,0|0,0,2]=4 3329 B11R0.148 CCCCCSCCOC(=O)C 62a_100009814007_100000210326 [0,2,0,0,0,0|0,0,2]=4 3330 B11R0.148 CCCCNCCCOC(=O)C 7a_106832991798_100000042594 [0,2,0,0,0,0|0,0,2]=4 3331 B11R0.148 CCCCOCCCOC(=O)C 34a_100000210227_100000042594 [0,2,0,0,0,0|0,0,2]=4 3332 B11R0.148 CCCCOCCCOC(=O)C 7a_100000210227_100000042594 [0,2,0,0,0,0|0,0,2]=4 3333 B11R0.148 CCCCOCCOCC(=O)C 1458a_100011216887_200000210301 [0,2,0,0,0,0|0,0,2]=4 3334 B11R0.148 CCCCOCCOCC(=O)C 34a_100000211253_100000743108 [0,2,0,0,0,0|0,0,2]=4 3335 B11R0.148 CCCCOCCOCC(=O)[13CH3] 1458a_100011216887_200025704644 [0,2,0,0,0,0|0,0,2]=4 3336 B11R0.148 CCCCOCSCOC(=O)C 62a_100000076356_100011995733 [0,2,0,0,0,0|0,0,2]=4 3337 B11R0.148 CCCCOCSCOC(=O)C 62a_100011995733_100000076356 [0,2,0,0,0,0|0,0,2]=4 3338 B11R0.148 CCCCSCCCOC(=O)C 62a_100000042594_100000210210 [0,2,0,0,0,0|0,0,2]=4 3339 B11R0.148 CCCCSCCCOC(=O)C 62a_100000210211_100000042594 [0,2,0,0,0,0|0,0,2]=4 3340 B11R0.148 CCCOCCCCOC(=O)C 34a_100000073216_100000210303 [0,2,0,0,0,0|0,0,2]=4 3341 B11R0.148 CCCOCCCCOC(=O)C 34a_100000210258_100000033659 [0,2,0,0,0,0|0,0,2]=4 3342 B11R0.148 CCCOCCCCOC(=O)C 7a_100000073216_100000210303 [0,2,0,0,0,0|0,0,2]=4 3343 B11R0.148 CCCOCCNCOC(=O)C 34a_100161115042_100009813279 [0,2,0,0,0,0|0,0,2]=4 3344 B11R0.148 CCCOCCOCCC(=O)C 34a_100000759926_100011215938 [0,2,0,0,0,0|1,0,1]=4 3345 B11R0.148 CCCOCCOCCC(=O)C 7a_100000752267_100000053229 [0,2,0,0,0,0|1,0,1]=4 3346 B11R0.148 CCCOCCOCCC(=O)C 7a_100000759926_100011215938 [0,2,0,0,0,0|1,0,1]=4 3347 B11R0.148 CCCOCCOCOC(=O)C 34a_100000752267_100009813279 [0,2,0,0,0,0|0,0,2]=4 3348 B11R0.148 CCCOCCSCOC(=O)C 62a_100000076356_100011215938 [0,2,0,0,0,0|0,0,2]=4 3349 B11R0.148 CCCOCCSCOC(=O)C 62a_100011215938_100000076356 [0,2,0,0,0,0|0,0,2]=4 3350 B11R0.148 CCCOCOCCOC(=O)C 34a_100000210258_100000076355 [0,2,0,0,0,0|0,0,2]=4 3351 B11R0.148 CCCSCCCCOC(=O)C 62a_100000033659_100000210303 [0,2,0,0,0,0|0,0,2]=4 3352 B11R0.148 CCCSCCCCOC(=O)C 62a_100000210303_100000033659 [0,2,0,0,0,0|0,0,2]=4 3353 B11R0.148 CCCSCCOCCC(=O)C 7a_200000230433_100000053229 [0,2,0,0,0,0|1,0,1]=4 3354 B11R0.148 CCCSCCOCOC(=O)C 34a_200000230433_100009813279 [0,2,0,0,0,0|0,0,2]=4 3355 B11R0.148 CCCSCOCCOC(=O)C 62a_100000076355_100000210303 [0,2,0,0,0,0|0,0,2]=4 3356 B11R0.148 CCCSCOCCOC(=O)C 62a_100000210303_100000076355 [0,2,0,0,0,0|0,0,2]=4 3357 B11R0.148 CCNCCCCCOC(=O)C 2230a_100015525214_100009813381 [0,2,0,0,0,0|0,0,2]=4 3358 B11R0.148 CCNCCOCCOC(=O)C 2230a_100015525214_200000083610 [0,2,0,0,0,0|0,0,2]=4 3359 B11R0.148 CCOCCCCCOC(=O)C 34a_100121572206_100000033007 [0,2,0,0,0,0|0,0,2]=4 3360 B11R0.148 CCOCCCNCOC(=O)C 34a_100000210961_100009813279 [0,2,0,0,0,0|0,0,2]=4 3361 B11R0.148 CCOCCCOCCC(=O)C 34a_100000759926_100012232248 [0,2,0,0,0,0|1,0,1]=4 3362 B11R0.148 CCOCCCOCCC(=O)C 7a_100000757476_100000053229 [0,2,0,0,0,0|1,0,1]=4 3363 B11R0.148 CCOCCCOCCC(=O)C 7a_100000759926_100012232248 [0,2,0,0,0,0|1,0,1]=4 3364 B11R0.148 CCOCCCOCOC(=O)C 34a_100000757476_100009813279 [0,2,0,0,0,0|0,0,2]=4 3365 B11R0.148 CCOCCCSCOC(=O)C 62a_100000076356_100012232248 [0,2,0,0,0,0|0,0,2]=4 3366 B11R0.148 CCOCCCSCOC(=O)C 62a_100012232248_100000076356 [0,2,0,0,0,0|0,0,2]=4 3367 B11R0.148 CCOCCNCCOC(=O)C 34a_102516460346_100009814007 [0,2,0,0,0,0|0,0,2]=4 3368 B11R0.148 CCOCCOCCOC(=O)C 34a_100000210136_100009814007 [0,2,0,0,0,0|0,0,2]=4 3369 B11R0.148 CCOCCOCCOC(=O)C 34a_100121572206_200000083610 [0,2,0,0,0,0|0,0,2]=4 3370 B11R0.148 CCOCCOCCOC(=O)C 7a_100000210136_100009814007 [0,2,0,0,0,0|0,0,2]=4 3371 B11R0.148 CCOCCSCCOC(=O)C 62a_100000210147_100009814007 [0,2,0,0,0,0|0,0,2]=4 3372 B11R0.148 CCOCCSCCOC(=O)C 62a_100009814007_100011215890 [0,2,0,0,0,0|0,0,2]=4 3373 B11R0.148 CCOCSCCCOC(=O)C 62a_100000042594_100000739092 [0,2,0,0,0,0|0,0,2]=4 3374 B11R0.148 CCOCSCCCOC(=O)C 62a_100000739092_100000042594 [0,2,0,0,0,0|0,0,2]=4 3375 B11R0.148 CCSCCCCCOC(=O)C 62a_100000033007_100000210202 [0,2,0,0,0,0|0,0,2]=4 3376 B11R0.148 CCSCCCCCOC(=O)C 62a_100000210202_100000033007 [0,2,0,0,0,0|0,0,2]=4 3377 B11R0.148 CCSCCCOCCC(=O)C 7a_100011216438_100000053229 [0,2,0,0,0,0|1,0,1]=4 3378 B11R0.148 CCSCCCOCOC(=O)C 34a_100011216438_100009813279 [0,2,0,0,0,0|0,0,2]=4 3379 B11R0.148 CCSCCOCCOC(=O)C 34a_100000212035_100009814007 [0,2,0,0,0,0|0,0,2]=4 3380 B11R0.148 CCSCCOCCOC(=O)C 62a_100000210202_200000083610 [0,2,0,0,0,0|0,0,2]=4 3381 B11R0.148 CCSCCOCCOC(=O)C 62a_200000083610_100000210202 [0,2,0,0,0,0|0,0,2]=4 3382 B11R0.148 CCSCCOCCOC(=O)C 7a_100000212035_100009814007 [0,2,0,0,0,0|0,0,2]=4 3383 B11R0.148 CCSCCSCCOC(=O)C 62a_100000757381_100009814007 [0,2,0,0,0,0|0,0,2]=4 3384 B11R0.148 CCSCCSCCOC(=O)C 62a_100009814007_100000757381 [0,2,0,0,0,0|0,0,2]=4 3385 B11R0.148 CNCCCOCCOC(=O)C 34a_100000213112_100009814007 [0,2,0,0,0,0|0,0,2]=4 3386 B11R0.148 COCCCCOCOC(=O)C 34a_100000740925_100009813279 [0,2,0,0,0,0|0,0,2]=4 3387 B11R0.148 COCCCCSCOC(=O)C 62a_100000076356_100000730899 [0,2,0,0,0,0|0,0,2]=4 3388 B11R0.148 COCCCCSCOC(=O)C 62a_100000730899_100000076356 [0,2,0,0,0,0|0,0,2]=4 3389 B11R0.148 COCCCNCCOC(=O)C 34a_100150723488_100009814007 [0,2,0,0,0,0|0,0,2]=4 3390 B11R0.148 COCCCOCCOC(=O)C 34a_100000740835_100009814007 [0,2,0,0,0,0|0,0,2]=4 3391 B11R0.148 COCCCSCCOC(=O)C 62a_100000709357_100009814007 [0,2,0,0,0,0|0,0,2]=4 3392 B11R0.148 COCCCSCCOC(=O)C 62a_100009814007_100000709357 [0,2,0,0,0,0|0,0,2]=4 3393 B11R0.148 COCCOCCCOC(=O)C 34a_100000210237_100000042594 [0,2,0,0,0,0|0,0,2]=4 3394 B11R0.148 COCCOCCOCC(=O)C 1458a_100011214951_200000210301 [0,2,0,0,0,0|1,0,1]=4 3395 B11R0.148 COCCOCCOCC(=O)C 34a_100000211253_100000695917 [0,2,0,0,0,0|1,0,1]=4 3396 B11R0.148 COCCOCCOCC(=O)[13CH3] 1458a_100011214951_200025704644 [0,2,0,0,0,0|1,0,1]=4 3397 B11R0.148 COCCOCSCOC(=O)C 62a_100000076356_100000231047 [0,2,0,0,0,0|1,0,1]=4 3398 B11R0.148 COCCOCSCOC(=O)C 62a_100000231047_100000076356 [0,2,0,0,0,0|1,0,1]=4 3399 B11R0.148 COCCSCCCOC(=O)C 62a_100000042594_100000233755 [0,2,0,0,0,0|0,0,2]=4 3400 B11R0.148 COCCSCCCOC(=O)C 62a_100000233755_100000042594 [0,2,0,0,0,0|0,0,2]=4 3401 B11R0.148 COCSCCCCOC(=O)C 62a_100000033659_100000766300 [0,2,0,0,0,0|0,0,2]=4 3402 B11R0.148 COCSCCCCOC(=O)C 62a_100000766300_100000033659 [0,2,0,0,0,0|0,0,2]=4 3403 B11R0.148 COCSCOCCOC(=O)C 62a_100000076355_100000766300 [0,2,0,0,0,0|1,0,1]=4 3404 B11R0.148 COCSCOCCOC(=O)C 62a_100000766300_100000076355 [0,2,0,0,0,0|1,0,1]=4 3405 B11R0.148 CSCCCCOCOC(=O)C 34a_100011217163_100009813279 [0,2,0,0,0,0|0,0,2]=4 3406 B11R0.148 CSCCCOCCOC(=O)C 34a_100000690336_100009814007 [0,2,0,0,0,0|0,0,2]=4 3407 B11R0.148 CSCCCOCCOC(=O)C 7a_100000690336_100009814007 [0,2,0,0,0,0|0,0,2]=4 3408 B11R0.148 CSCCOCCCOC(=O)C 34a_100000230434_100000042594 [0,2,0,0,0,0|0,0,2]=4 3409 B11R0.148 CSCCOCCCOC(=O)C 7a_100000230434_100000042594 [0,2,0,0,0,0|0,0,2]=4 3410 B11R0.148 CSCCSCCCOC(=O)C 62a_100000042594_100000751147 [0,2,0,0,0,0|0,0,2]=4 3411 B11R0.148 CSCCSCCCOC(=O)C 62a_100000212216_100000042594 [0,2,0,0,0,0|0,0,2]=4 3412 B11R0.148 CSCOCCCCOC(=O)C 34a_100000073216_100011218213 [0,2,0,0,0,0|0,0,2]=4 3413 B11R0.148 CSCSCCCCOC(=O)C 62a_100000033659_100011218213 [0,2,0,0,0,0|0,0,2]=4 3414 B11R0.148 CSCSCCCCOC(=O)C 62a_100011218213_100000033659 [0,2,0,0,0,0|0,0,2]=4 3415 B11R0.148 CSCSCOCCOC(=O)C 62a_100000076355_100011218213 [0,2,0,0,0,0|1,0,1]=4 3416 B11R0.148 CSCSCOCCOC(=O)C 62a_100011218213_100000076355 [0,2,0,0,0,0|1,0,1]=4 3417 B11R0.159 CC/C=C/CCCOC(C)(C)C 34a_100016287902_100000210625 [0,2,0,0,0,0|1,0,1]=4 3418 B11R0.159 CC/C=C\CCOCC(C)(C)C 34a_100016288707_100011219605 [0,2,0,0,0,0|1,0,1]=4 3419 B11R0.159 CC/C=C\CCOCC(C)(C)F 34a_100000716592_100015370543 [0,2,0,0,0,0|1,0,1]=4 3420 B11R0.159 CC/C=C\CCOCC(C)(C)F 34a_100016288707_100011997219 [0,2,0,0,0,0|1,0,1]=4 3421 B11R0.159 CC/C=C\CCOCC(C)(C)O 34a_100016288707_100000764493 [0,2,0,0,0,0|0,0,2]=4 3422 B11R0.159 CC/C=C\CCOCC(C)(C)O 7a_100016288707_100000764493 [0,2,0,0,0,0|0,0,2]=4 3423 B11R0.159 CC/C=C\CCOCC(C)(F)F 34a_100000068830_100015370543 [0,2,0,0,0,0|1,0,1]=4 3424 B11R0.159 CC/C=C\CCOCS(=O)(=O)[O-] 34a_100016288707_100009817235 [0,2,0,0,0,0|2,0,0]=4 3425 B11R0.159 CC/C=C\CCOC[Si](C)(C)C 7a_100016288707_100000233785 [0,2,0,0,0,0|1,1,0]=4 3426 B11R0.159 CC/C=C\CNCCS(=O)(=O)C 2230a_100000740961_100103147603 [0,2,0,0,0,0|2,0,0]=4 3427 B11R0.159 CC/C=C\CNCCS(=O)(=O)C 34a_100000740961_100103147603 [0,2,0,0,0,0|2,0,0]=4 3428 B11R0.159 CC/C=C\COCCS(=O)(=O)C 34a_100000211924_100103147603 [0,2,0,0,0,0|2,0,0]=4 3429 B11R0.159 CC/C=C\COCCS(=O)(=O)C 34a_100016268518_100000731031 [0,2,0,0,0,0|2,0,0]=4 3430 B11R0.159 CC/C=C\COCCS(=O)(=O)C 7a_100000211924_100103147603 [0,2,0,0,0,0|2,0,0]=4 3431 B11R0.159 CC/C=C\CSCCS(=O)(=O)C 62a_100000731031_100103147603 [0,2,0,0,0,0|2,0,0]=4 3432 B11R0.159 CC/C=C\CSCCS(=O)(=O)C 62a_100103147603_100000230027 [0,2,0,0,0,0|2,0,0]=4 3433 B11R0.176 C#CCC(=O)CCCOC(=O)C 1458a_100011220946_100000042594 [0,2,0,0,0,0|0,0,2]=4 3434 B11R0.176 C#CCC(=O)NCCOC(=O)C 527a_100000724843_100011220946 [0,2,0,0,0,0|1,0,1]=4 3435 B11R0.176 C/C=C/C(C)OCCOC(=O)C 34a_200102604097_100009814007 [0,2,0,0,0,0|0,0,2]=4 3436 B11R0.176 C=C(C)COCCC(=O)OCC 34a_100000210245_100000765890 [0,2,0,0,0,0|2,0,0]=4 3437 B11R0.176 C=CCC(=O)CCCOC(=O)C 1458a_100000210193_100000042594 [0,2,0,0,0,0|0,0,2]=4 3438 B11R0.176 C=CCC(=O)NCCOC(=O)C 11a_100000724843_100000210193 [0,2,0,0,0,0|1,0,1]=4 3439 B11R0.176 C=CCC(=O)NCCOC(=O)C 240690a_100000724843_100000210193 [0,2,0,0,0,0|1,0,1]=4 3440 B11R0.176 C=CCC(=O)NCCOC(=O)C 527a_100000724843_100000210193 [0,2,0,0,0,0|1,0,1]=4 3441 B11R0.176 CC#CC(=O)CCCOC(=O)C 1458a_100000763181_100000042594 [0,2,0,0,0,0|0,0,2]=4 3442 B11R0.176 CC(=O)CCCCC(=O)CCO 1458a_100011216618_100000735457 [0,2,0,0,0,0|1,0,1]=4 3443 B11R0.176 CC(=O)NCCCC(=O)CCF 1458a_100000194741_100011217306 [0,2,0,0,0,0|1,0,1]=4 3444 B11R0.176 CC(=O)NCCCC(=O)CCO 1458a_100000194741_100000211926 [0,2,0,0,0,0|1,0,1]=4 3445 B11R0.176 CC(=O)NCCNC(=O)CCO 240690a_100000209853_100011216618 [0,2,0,0,0,0|2,0,0]=4 3446 B11R0.176 CC(=O)OCCCC(=O)C=CBr 1458a_100016273825_100000042594 [0,2,0,0,0,0|1,0,1]=4 3447 B11R0.176 CC(=O)OCCCC(=O)C=CCl 1458a_200016279998_100000042594 [0,2,0,0,0,0|1,0,1]=4 3448 B11R0.176 CC(=O)OCCCC(=O)C=CI 1458a_100016256311_100000042594 [0,2,0,0,0,0|1,0,1]=4 3449 B11R0.176 CC(=O)OCCCC(=O)CC#N 1458a_100051588842_100000042594 [0,2,0,0,0,0|0,0,2]=4 3450 B11R0.176 CC(=O)OCCCC(=O)CCO 1458a_100011216618_100000042594 [0,2,0,0,0,0|0,0,1]=3 3451 B11R0.176 CC(=O)OCCCN(C)CCO 269982a_100000210263_100000042594 [0,2,0,0,0,0|1,0,1]=4 3452 B11R0.176 CC(=O)OCCNC(=O)C=CBr 240690a_100000724843_100016273825 [0,2,0,0,0,0|1,0,1]=4 3453 B11R0.176 CC(=O)OCCNC(=O)C=CCl 11a_100000724843_200016279998 [0,2,0,0,0,0|1,0,1]=4 3454 B11R0.176 CC(=O)OCCNC(=O)C=CCl 240690a_100000724843_200016279998 [0,2,0,0,0,0|1,0,1]=4 3455 B11R0.176 CC(=O)OCCNC(=O)CC#N 240690a_100000724843_100051588842 [0,2,0,0,0,0|1,0,1]=4 3456 B11R0.176 CC(=O)OCCNC(=O)CCO 240690a_100000724843_100011216618 [0,2,0,0,0,0|1,0,0]=3 3457 B11R0.176 CC(=O)OCCN[C@H](C)CCO 34a_100000706166_100009814007 [0,2,0,0,0,0|1,0,1]=4 3458 B11R0.176 CC(=O)OCCOC(C)CCBr 34a_100012276601_100009814007 [0,2,0,0,0,0|1,0,1]=4 3459 B11R0.176 CC(=O)OCCSC(C)CCO 62a_100009814007_100009893172 [0,2,0,0,0,0|1,0,1]=4 3460 B11R0.176 CC(=O)OCCSC(C)CCO 62a_100009893172_100009814007 [0,2,0,0,0,0|1,0,1]=4 3461 B11R0.176 CC(=O)OCSCC(=O)NCO 62a_100000076356_100000185155 [0,2,0,0,0,0|2,0,0]=4 3462 B11R0.176 CC(=O)OCSCC(=O)NCO 62a_100000185155_100000076356 [0,2,0,0,0,0|2,0,0]=4 3463 B11R0.176 CC(=O)SCCCC(=O)CCO 1458a_100011216618_100000038929 [0,2,0,0,0,0|0,1,1]=4 3464 B11R0.176 CC(=O)SCCNC(=O)CCO 240690a_100020647217_100011216618 [0,2,0,0,0,0|1,1,0]=4 3465 B11R0.176 CC(=S)OCCCC(=O)CCO 1458a_100011216618_200135323944 [0,2,0,0,0,0|0,1,1]=4 3466 B11R0.176 CC=CC(=O)CCCCC(=O)C 1458a_100000210699_100000735457 [0,2,0,0,0,0|1,0,1]=4 3467 B11R0.176 CC=CC(=O)CCCOC(=O)C 1458a_100000210699_100000042594 [0,2,0,0,0,0|0,0,1]=3 3468 B11R0.176 CC=CC(=O)CCCOC(=S)C 1458a_100000210699_200135323944 [0,2,0,0,0,0|0,1,1]=4 3469 B11R0.176 CC=CC(=O)CCCSC(=O)C 1458a_100000210699_100000038929 [0,2,0,0,0,0|0,1,1]=4 3470 B11R0.176 CC=CC(=O)CCOCC(=O)N 1458a_100000210699_100000076697 [0,2,0,0,0,0|1,0,1]=4 3471 B11R0.176 CC=CC(=O)NCCNC(=O)C 240690a_100000209853_100000210699 [0,2,0,0,0,0|1,0,1]=4 3472 B11R0.176 CC=CC(=O)NCCOC(=O)C 11a_100000724843_100000210699 [0,2,0,0,0,0|0,0,1]=3 3473 B11R0.176 CC=CC(=O)NCCOC(=O)C 240690a_100000724843_100000210699 [0,2,0,0,0,0|0,0,1]=3 3474 B11R0.176 CC=CC(=O)NCCSC(=O)C 11a_100020647217_100000210699 [0,2,0,0,0,0|0,1,1]=4 3475 B11R0.176 CC=CC(=O)NCCSC(=O)C 240690a_100020647217_100000210699 [0,2,0,0,0,0|0,1,1]=4 3476 B11R0.176 CCCC(=O)CCCCC(=O)C 1458a_100000211992_100000735457 [0,2,0,0,0,0|1,0,1]=4 3477 B11R0.176 CCCC(=O)CCCNC(=O)C 1458a_100000194741_100000210303 [0,2,0,0,0,0|1,0,1]=4 3478 B11R0.176 CCCC(=O)CCCOC(=O)C 1458a_100000211992_100000042594 [0,2,0,0,0,0|0,0,1]=3 3479 B11R0.176 CCCC(=O)CCCOC(=S)C 1458a_100000211992_200135323944 [0,2,0,0,0,0|0,1,1]=4 3480 B11R0.176 CCCC(=O)CCCSC(=O)C 1458a_100000211992_100000038929 [0,2,0,0,0,0|0,1,1]=4 3481 B11R0.176 CCCC(=O)CCOCC(=O)N 1458a_100000211992_100000076697 [0,2,0,0,0,0|1,0,1]=4 3482 B11R0.176 CCCC(=O)COCCC(=O)C 7a_100000759926_100000747444 [0,2,0,0,0,0|1,0,1]=4 3483 B11R0.176 CCCC(=O)CSCCC(=O)C 62a_100000053229_100000747444 [0,2,0,0,0,0|1,0,1]=4 3484 B11R0.176 CCCC(=O)CSCCC(=O)C 62a_100000747444_100000053229 [0,2,0,0,0,0|1,0,1]=4 3485 B11R0.176 CCCC(=O)CSCOC(=O)C 62a_100000076356_100000747444 [0,2,0,0,0,0|0,0,1]=3 3486 B11R0.176 CCCC(=O)CSCOC(=O)C 62a_100000747444_100000076356 [0,2,0,0,0,0|0,0,1]=3 3487 B11R0.176 CCCC(=O)NCCNC(=O)C 240690a_100000209853_100000211992 [0,2,0,0,0,0|1,0,1]=4 3488 B11R0.176 CCCC(=O)NCCNC(=O)C 527a_100000209853_100000211992 [0,2,0,0,0,0|1,0,1]=4 3489 B11R0.176 CCCC(=O)NCCOC(=O)C 11a_100000724843_100000211992 [0,2,0,0,0,0|0,0,1]=3 3490 B11R0.176 CCCC(=O)NCCOC(=O)C 240690a_100000724843_100000211992 [0,2,0,0,0,0|0,0,1]=3 3491 B11R0.176 CCCC(=O)NCCOC(=O)C 527a_100000724843_100000211992 [0,2,0,0,0,0|0,0,1]=3 3492 B11R0.176 CCCC(=O)NCCSC(=O)C 11a_100020647217_100000211992 [0,2,0,0,0,0|0,1,1]=4 3493 B11R0.176 CCCC(=O)NCCSC(=O)C 240690a_100020647217_100000211992 [0,2,0,0,0,0|0,1,1]=4 3494 B11R0.176 CCCC(=O)NCCSC(=O)C 527a_100020647217_100000211992 [0,2,0,0,0,0|0,1,1]=4 3495 B11R0.176 CCCC(=O)OCOCC(=O)C 34a_100000211253_100000034017 [0,2,0,0,0,0|1,0,1]=4 3496 B11R0.176 CCCC(C)COCOC(=O)C 34a_100000688023_100009813279 [0,2,0,0,0,0|0,0,2]=4 3497 B11R0.176 CCCC(C)CSCOC(=O)C 62a_100000076356_100011216630 [0,2,0,0,0,0|0,0,2]=4 3498 B11R0.176 CCCC(C)CSCOC(=O)C 62a_100011216630_100000076356 [0,2,0,0,0,0|0,0,2]=4 3499 B11R0.176 CCCC(C)OCCOC(=O)C 34a_100000764384_100009814007 [0,2,0,0,0,0|0,0,2]=4 3500 B11R0.176 CCCC(C)OCCOC(=O)C 7a_100000764384_100009814007 [0,2,0,0,0,0|0,0,2]=4 3501 B11R0.176 CCCC(C)SCCOC(=O)C 62a_100000766640_100009814007 [0,2,0,0,0,0|0,0,2]=4 3502 B11R0.176 CCCC(C)SCCOC(=O)C 62a_100009814007_100000766640 [0,2,0,0,0,0|0,0,2]=4 3503 B11R0.176 CCCN(C)CCCOC(=O)C 269982a_100000747261_100000042594 [0,2,0,0,0,0|0,0,2]=4 3504 B11R0.176 CCC[C@H](N)COCOC(=O)C 34a_100000732646_100009813279 [0,2,0,0,0,0|0,0,2]=4 3505 B11R0.176 CCNC(=O)CCCNC(=O)C 11a_100015525214_100000194741 [0,2,0,0,0,0|1,0,1]=4 3506 B11R0.176 CCNC(=O)CCCNC(=O)C 240690a_100015525214_100000194741 [0,2,0,0,0,0|1,0,1]=4 3507 B11R0.176 CCNC(=O)CCCNC(=O)C 527a_100015525214_100000194741 [0,2,0,0,0,0|1,0,1]=4 3508 B11R0.176 CCNC(=O)COCCC(=O)C 34a_100000759926_100000183381 [0,2,0,0,0,0|2,0,0]=4 3509 B11R0.176 CCNC(=O)COCCC(=O)C 7a_100000759926_100000183381 [0,2,0,0,0,0|2,0,0]=4 3510 B11R0.176 CCNC(=O)CSCCC(=O)C 62a_100000053229_100000183381 [0,2,0,0,0,0|2,0,0]=4 3511 B11R0.176 CCNC(=O)CSCCC(=O)C 62a_100000183381_100000053229 [0,2,0,0,0,0|2,0,0]=4 3512 B11R0.176 CCNC(=O)CSCOC(=O)C 62a_100000076356_100000183381 [0,2,0,0,0,0|1,0,0]=3 3513 B11R0.176 CCNC(=O)CSCOC(=O)C 62a_100000183381_100000076356 [0,2,0,0,0,0|1,0,0]=3 3514 B11R0.176 CCNC(=O)NCCNC(=O)C 2708a_100000209853_100015525214 [0,2,0,0,0,0|2,0,0]=4 3515 B11R0.176 CCNC(=O)NCCNC(=O)C 2708a_100015525214_100000209853 [0,2,0,0,0,0|2,0,0]=4 3516 B11R0.176 CCNC(=O)NCCNC(=O)C 273464a_100000209853_100015525214 [0,2,0,0,0,0|2,0,0]=4 3517 B11R0.176 CCNC(=O)NCCNC(=O)C 273464a_100015525214_100000209853 [0,2,0,0,0,0|2,0,0]=4 3518 B11R0.176 CCNC(=O)NCCNC(=O)C 512a_100000209853_100015525214 [0,2,0,0,0,0|2,0,0]=4 3519 B11R0.176 CCNC(=O)NCCNC(=O)C 512a_100015525214_100000209853 [0,2,0,0,0,0|2,0,0]=4 3520 B11R0.176 CCNC(=O)NCCOC(=O)C 2708a_100015525214_100000724843 [0,2,0,0,0,0|1,0,0]=3 3521 B11R0.176 CCNC(=O)NCCOC(=O)C 273464a_100000724843_100015525214 [0,2,0,0,0,0|1,0,0]=3 3522 B11R0.176 CCNC(=O)NCCOC(=O)C 273464a_100015525214_100000724843 [0,2,0,0,0,0|1,0,0]=3 3523 B11R0.176 CCNC(=O)NCCOC(=O)C 512a_100000724843_100015525214 [0,2,0,0,0,0|1,0,0]=3 3524 B11R0.176 CCNC(=O)NCCOC(=O)C 512a_100015525214_100000724843 [0,2,0,0,0,0|1,0,0]=3 3525 B11R0.176 CCNC(=O)NCCSC(=O)C 2708a_100015525214_100020647217 [0,2,0,0,0,0|1,1,0]=4 3526 B11R0.176 CCNC(=O)NCCSC(=O)C 2708a_100020647217_100015525214 [0,2,0,0,0,0|1,1,0]=4 3527 B11R0.176 CCNC(=O)NCCSC(=O)C 273464a_100015525214_100020647217 [0,2,0,0,0,0|1,1,0]=4 3528 B11R0.176 CCNC(=O)NCCSC(=O)C 273464a_100020647217_100015525214 [0,2,0,0,0,0|1,1,0]=4 3529 B11R0.176 CCNC(=O)NCCSC(=O)C 512a_100015525214_100020647217 [0,2,0,0,0,0|1,1,0]=4 3530 B11R0.176 CCNC(=O)NCCSC(=O)C 512a_100020647217_100015525214 [0,2,0,0,0,0|1,1,0]=4 3531 B11R0.176 CCOC(=O)CCCCC(=O)C 1458a_100000070787_100000750268 [0,2,0,0,0,0|1,0,1]=4 3532 B11R0.176 CCOC(=O)CCCCC(=O)C 1458a_100011217402_200000210301 [0,2,0,0,0,0|1,0,1]=4 3533 B11R0.176 CCOC(=O)CCCCC(=O)[13CH3] 1458a_100011217402_200025704644 [0,2,0,0,0,0|1,0,1]=4 3534 B11R0.176 CCOC(=O)CCCNC(=O)C 188690a_100000211256_100015343762 [0,2,0,0,0,0|1,0,1]=4 3535 B11R0.176 CCOC(=O)CCOCC(=O)C 34a_100000211253_100000765890 [0,2,0,0,0,0|1,0,0]=3 3536 B11R0.176 CCOC(=O)COCCC(=O)C 1458a_100000070787_100000088970 [0,2,0,0,0,0|2,0,0]=4 3537 B11R0.176 CCOC(=O)COCCC(=O)C 34a_100000759926_100000188475 [0,2,0,0,0,0|2,0,0]=4 3538 B11R0.176 CCOC(=O)COCCC(=O)C 7a_100000759926_100000188475 [0,2,0,0,0,0|2,0,0]=4 3539 B11R0.176 CCOC(=O)CSCCC(=O)C 62a_100000053229_100000188475 [0,2,0,0,0,0|2,0,0]=4 3540 B11R0.176 CCOC(=O)CSCCC(=O)C 62a_100000188475_100000053229 [0,2,0,0,0,0|2,0,0]=4 3541 B11R0.176 CCOC(=O)CSCOC(=O)C 62a_100000076356_100000188475 [0,2,0,0,0,0|1,0,0]=3 3542 B11R0.176 CCOC(=O)CSCOC(=O)C 62a_100000188475_100000076356 [0,2,0,0,0,0|1,0,0]=3 3543 B11R0.176 CNNC(=O)NCCOC(=O)C 273464a_100000724843_100016993582 [0,2,0,0,0,0|2,0,0]=4 3544 B11R0.176 CNNC(=O)NCCOC(=O)C 512a_100000724843_100016993582 [0,2,0,0,0,0|2,0,0]=4 3545 B11R0.176 CNNC(=O)NCCOC(=O)C 512a_100016993582_100000724843 [0,2,0,0,0,0|2,0,0]=4 3546 B11R0.176 COCC(=O)CCCCC(=O)C 1458a_100000210968_100000735457 [0,2,0,0,0,0|1,0,1]=4 3547 B11R0.176 COCC(=O)CCCOC(=O)C 1458a_100000210968_100000042594 [0,2,0,0,0,0|0,0,1]=3 3548 B11R0.176 COCC(=O)CCCOC(=S)C 1458a_100000210968_200135323944 [0,2,0,0,0,0|0,1,1]=4 3549 B11R0.176 COCC(=O)CCCSC(=O)C 1458a_100000210968_100000038929 [0,2,0,0,0,0|0,1,1]=4 3550 B11R0.176 COCC(=O)NCCNC(=O)C 240690a_100000209853_100000210968 [0,2,0,0,0,0|2,0,0]=4 3551 B11R0.176 COCC(=O)NCCNC(=O)C 527a_100000209853_100000210968 [0,2,0,0,0,0|2,0,0]=4 3552 B11R0.176 COCC(=O)NCCOC(=O)C 11a_100000724843_100000210968 [0,2,0,0,0,0|1,0,0]=3 3553 B11R0.176 COCC(=O)NCCOC(=O)C 240690a_100000724843_100000210968 [0,2,0,0,0,0|1,0,0]=3 3554 B11R0.176 COCC(=O)NCCOC(=O)C 527a_100000724843_100000210968 [0,2,0,0,0,0|1,0,0]=3 3555 B11R0.176 COCC(=O)NCCSC(=O)C 11a_100020647217_100000210968 [0,2,0,0,0,0|1,1,0]=4 3556 B11R0.176 COCC(=O)NCCSC(=O)C 240690a_100020647217_100000210968 [0,2,0,0,0,0|1,1,0]=4 3557 B11R0.176 COCC(=O)NCCSC(=O)C 527a_100020647217_100000210968 [0,2,0,0,0,0|1,1,0]=4 3558 B11R0.176 COCC(C)SCCOC(=O)C 62a_100000765312_100009814007 [0,2,0,0,0,0|1,0,1]=4 3559 B11R0.176 COCC(C)SCCOC(=O)C 62a_100009814007_100000765312 [0,2,0,0,0,0|1,0,1]=4 3560 B11R0.176 COC[C@@H](C)OCCOC(=O)C 34a_100011934205_100009814007 [0,2,0,0,0,0|1,0,1]=4 3561 B11R0.176 CSCC(=O)CCCCC(=O)C 1458a_100000184570_100000735457 [0,2,0,0,0,0|1,0,1]=4 3562 B11R0.176 CSCC(=O)CCCOC(=O)C 1458a_100000184570_100000042594 [0,2,0,0,0,0|0,0,1]=3 3563 B11R0.176 CSCC(=O)CCCOC(=S)C 1458a_100000184570_200135323944 [0,2,0,0,0,0|0,1,1]=4 3564 B11R0.176 CSCC(=O)CCCSC(=O)C 1458a_100000184570_100000038929 [0,2,0,0,0,0|0,1,1]=4 3565 B11R0.176 CSCC(=O)NCCNC(=O)C 240690a_100000209853_100000184570 [0,2,0,0,0,0|2,0,0]=4 3566 B11R0.176 CSCC(=O)NCCNC(=O)C 527a_100000209853_100000184570 [0,2,0,0,0,0|2,0,0]=4 3567 B11R0.176 CSCC(=O)NCCOC(=O)C 11a_100000724843_100000184570 [0,2,0,0,0,0|1,0,0]=3 3568 B11R0.176 CSCC(=O)NCCOC(=O)C 240690a_100000724843_100000184570 [0,2,0,0,0,0|1,0,0]=3 3569 B11R0.176 CSCC(=O)NCCOC(=O)C 527a_100000724843_100000184570 [0,2,0,0,0,0|1,0,0]=3 3570 B11R0.176 CSCC(=O)NCCSC(=O)C 11a_100020647217_100000184570 [0,2,0,0,0,0|1,1,0]=4 3571 B11R0.176 CSCC(=O)NCCSC(=O)C 240690a_100020647217_100000184570 [0,2,0,0,0,0|1,1,0]=4 3572 B11R0.176 CSCC(=O)NCCSC(=O)C 527a_100020647217_100000184570 [0,2,0,0,0,0|1,1,0]=4 3573 B11R0.68 CCC=CC(=O)C(C)OC(=O)C 1458a_100000212282_100009818208 [0,2,0,0,0,0|0,0,1]=3 3574 B11R0.68 COC=CC(=O)C(C)OC(=O)C 1458a_100016268678_100009818208 [0,2,0,0,0,0|1,0,1]=4 3575 B11R0.107 CCC(=O)CSC(C)OC(=O)C 62a_100000747405_100009818208 [0,2,0,0,0,0|1,0,1]=4 3576 B11R0.107 CCC(=O)CSC(C)OC(=O)C 62a_100009818208_100000747405 [0,2,0,0,0,0|1,0,1]=4 3577 B11R0.139 CC/C=C/CC(=O)C(C)C(=O)C 1458a_100016274230_100000179758 [0,2,0,0,0,0|1,0,1]=4 3578 B11R0.154 CC/C=C/CC(=O)CC(=O)CC 1458a_100016274230_100000747405 [0,2,0,0,0,0|1,0,1]=4 3579 B11R0.154 CC/C=C/CC(=O)CC(=O)NC 1458a_100016274230_100000183359 [0,2,0,0,0,0|1,0,1]=4 3580 B11R0.154 CC/C=C/CC(=O)CC(=O)OC 1458a_100016274230_100000747449 [0,2,0,0,0,0|1,0,1]=4 3581 B11R0.154 CC/C=C\CC(=O)CC(=O)OC 1458a_100000211351_100103147603 [0,2,0,0,0,0|1,0,1]=4 3582 B11R0.154 CC/C=C\CN(C)CC(=O)NC 2230a_100000189611_100103147603 [0,2,0,0,0,0|2,0,0]=4 3583 B11R0.154 CC/C=C\CN(C)CC(=O)OC 2230a_100000198492_100103147603 [0,2,0,0,0,0|2,0,0]=4 3584 B11R0.31 CC(=O)OCCCOC(C)(C)C 34a_100015890283_100000042594 [0,2,0,0,0,0|1,0,1]=4 3585 B11R0.31 CC(=O)OCCCOC(C)(C)C 7a_100015890283_100000042594 [0,2,0,0,0,0|1,0,1]=4 3586 B11R0.31 CC(=O)OCCCSC(C)(C)C 62a_100000042594_100000211941 [0,2,0,0,0,0|1,0,1]=4 3587 B11R0.31 CC(=O)OCCCSC(C)(C)C 62a_100000211941_100000042594 [0,2,0,0,0,0|1,0,1]=4 3588 B11R0.31 CC(=O)OCCOCC(C)(C)F 34a_100000716592_100009814007 [0,2,0,0,0,0|1,0,1]=4 3589 B11R0.31 CC(=O)OCCOCC(C)(F)F 34a_100000068830_100009814007 [0,2,0,0,0,0|1,0,1]=4 3590 B11R0.31 CC(=O)OCCSCC(C)(C)C 62a_100009814007_100011219605 [0,2,0,0,0,0|1,0,1]=4 3591 B11R0.31 CC(=O)OCCSCC(C)(C)C 62a_100011219605_100009814007 [0,2,0,0,0,0|1,0,1]=4 3592 B11R0.31 CC(=O)OCCSCC(C)(C)F 62a_100009814007_100011997219 [0,2,0,0,0,0|1,0,1]=4 3593 B11R0.31 CC(=O)OCCSCC(C)(C)F 62a_100011997219_100009814007 [0,2,0,0,0,0|1,0,1]=4 3594 B11R0.31 CC(=O)OCCSCC(C)(C)O 62a_100000764493_100009814007 [0,2,0,0,0,0|1,0,1]=4 3595 B11R0.31 CC(=O)OCCSCC(C)(C)O 62a_100009814007_100000764493 [0,2,0,0,0,0|1,0,1]=4 3596 B11R0.49 C#CC(C)(C)OCC/C=C\CC 34a_100000189450_100015370543 [0,2,0,0,0,0|1,0,1]=4 3597 B11R0.49 C#CC(C)(C)OCC/C=C\CC 34a_100016288707_100000038118 [0,2,0,0,0,0|1,0,1]=4 3598 B11R0.49 C#CC(C)(C)OCC/C=C\CC 7a_100000189450_100015370543 [0,2,0,0,0,0|1,0,1]=4 3599 B11R0.49 C=CC(C)(C)OCC/C=C\CC 34a_100011215311_100015370543 [0,2,0,0,0,0|1,0,1]=4 3600 B11R0.49 C=CC(C)(C)OCC/C=C\CC 7a_100011215311_100015370543 [0,2,0,0,0,0|1,0,1]=4 3601 B11R0.49 CC/C=C\CCOC(C)(C)C#N 34a_100016288707_100011162410 [0,2,0,0,0,0|1,0,1]=4 3602 B11R0.49 CC/C=C\CCOC(C)(C)C#N 34a_200015195151_100015370543 [0,2,0,0,0,0|1,0,1]=4 3603 B11R0.49 CC/C=C\CCOC(C)(C)C#N 7a_100016288707_100011162410 [0,2,0,0,0,0|1,0,1]=4 3604 B11R0.49 CC/C=C\CCOC(C)(C)CC 7a_100000210230_100015370543 [0,2,0,0,0,0|1,0,1]=4 3605 B11R0.49 CC/C=C\CCOC(C)(C)CC 7a_100016288707_100000210677 [0,2,0,0,0,0|1,0,1]=4 3606 B11R0.49 CC/C=C\CCOC(C)(C)CCl 7a_100000764493_100015370543 [0,2,0,0,0,0|1,0,1]=4 3607 B11R0.22 C#CC(CC)OCCOC(=O)C 34a_100000758843_100009814007 [0,2,0,0,0,0|1,0,1]=4 3608 B11R0.22 C#CC(CC)OCCOC(=O)C 7a_100000758843_100009814007 [0,2,0,0,0,0|1,0,1]=4 3609 B11R0.22 C=CC(CC)OCCOC(=O)C 34a_100000766422_100009814007 [0,2,0,0,0,0|1,0,1]=4 3610 B11R0.22 C=CC(CC)OCCOC(=O)C 7a_100000766422_100009814007 [0,2,0,0,0,0|1,0,1]=4 3611 B11R0.22 CCC(CC)OCCOC(=O)C 7a_100000688536_100009814007 [0,2,0,0,0,0|1,0,1]=4 3612 B11R0.22 CCC(CC)SCCOC(=O)C 62a_100000210505_100009814007 [0,2,0,0,0,0|1,0,1]=4 3613 B11R0.22 CCC(CC)SCCOC(=O)C 62a_100009814007_100000210505 [0,2,0,0,0,0|1,0,1]=4 3614 B11R0.22 CCN(CC)CCCOC(=O)C 269956a_100000042499_100000042594 [0,2,0,0,0,0|1,0,1]=4 3615 B11R0.22 CCN(CC)CCCOC(=O)C 269982a_100000724800_100000042594 [0,2,0,0,0,0|1,0,1]=4 3616 B11R0.29 C=C(C)C(=O)CCCOC(=O)C 1458a_100000185857_100000042594 [0,2,0,0,0,0|0,0,2]=4 3617 B11R0.29 C=C(C)C(=O)NCCOC(=O)C 11a_100000724843_100000185857 [0,2,0,0,0,0|1,0,1]=4 3618 B11R0.29 CC(=O)CCCCC(=O)C(C)C 1458a_100000210198_100000735457 [0,2,0,0,0,0|1,0,1]=4 3619 B11R0.29 CC(=O)CCCCC(=O)C(C)F 1458a_100000062450_100000735457 [0,2,0,0,0,0|1,0,1]=4 3620 B11R0.29 CC(=O)CCCCC(=O)[C@@H](C)O 1458a_100000717761_100000735457 [0,2,0,0,0,0|1,0,1]=4 3621 B11R0.29 CC(=O)CCCCC(=O)[C@H](C)O 1458a_217856618621_100000735457 [0,2,0,0,0,0|1,0,1]=4 3622 B11R0.29 CC(=O)NCCCC(=O)C(C)C 1458a_100000194741_100000210206 [0,2,0,0,0,0|1,0,1]=4 3623 B11R0.29 CC(=O)NCCNC(=O)C(C)C 11a_100000752568_100015343762 [0,2,0,0,0,0|2,0,0]=4 3624 B11R0.29 CC(=O)NCCNC(=O)C(C)C 240690a_100000209853_100000210198 [0,2,0,0,0,0|2,0,0]=4 3625 B11R0.29 CC(=O)NCCNC(=O)C(C)C 240690a_100000752568_100015343762 [0,2,0,0,0,0|2,0,0]=4 3626 B11R0.29 CC(=O)NCCNC(=O)C(C)C 527a_100000209853_100000210198 [0,2,0,0,0,0|2,0,0]=4 3627 B11R0.29 CC(=O)NCCNC(=O)C(C)C 527a_100000752568_100103153847 [0,2,0,0,0,0|2,0,0]=4 3628 B11R0.29 CC(=O)NCCNC(=O)C(C)F 240690a_100000209853_100000062450 [0,2,0,0,0,0|2,0,0]=4 3629 B11R0.29 CC(=O)NCCNC(=O)C(C)F 527a_100000209853_100000062450 [0,2,0,0,0,0|2,0,0]=4 3630 B11R0.29 CC(=O)NCCNC(=O)[C@@H](C)O 240690a_100000209853_100000717761 [0,2,0,0,0,0|2,0,0]=4 3631 B11R0.29 CC(=O)NCCNC(=O)[C@H](C)O 240690a_100000209853_217856618621 [0,2,0,0,0,0|2,0,0]=4 3632 B11R0.29 CC(=O)OCCCC(=O)C(C)C 1458a_100000210198_100000042594 [0,2,0,0,0,0|0,0,1]=3 3633 B11R0.29 CC(=O)OCCCC(=O)C(C)F 1458a_100000062450_100000042594 [0,2,0,0,0,0|0,0,1]=3 3634 B11R0.29 CC(=O)OCCCC(=O)C(O)O 1458a_100000233687_100000042594 [0,2,0,0,0,0|1,0,1]=4 3635 B11R0.29 CC(=O)OCCCC(=O)[C@@H](C)O 1458a_100000717761_100000042594 [0,2,0,0,0,0|0,0,1]=3 3636 B11R0.29 CC(=O)OCCCC(=O)[C@H](C)O 1458a_217856618621_100000042594 [0,2,0,0,0,0|0,0,1]=3 3637 B11R0.29 CC(=O)OCCCN(C)C(C)C 269982a_200000211004_100000042594 [0,2,0,0,0,0|1,0,1]=4 3638 B11R0.29 CC(=O)OCCNC(=O)C(C)C 11a_100000724843_100000210198 [0,2,0,0,0,0|1,0,0]=3 3639 B11R0.29 CC(=O)OCCNC(=O)C(C)C 240690a_100000724843_100000210198 [0,2,0,0,0,0|1,0,0]=3 3640 B11R0.29 CC(=O)OCCNC(=O)C(C)C 527a_100000724843_100000210198 [0,2,0,0,0,0|1,0,0]=3 3641 B11R0.29 CC(=O)OCCNC(=O)C(C)F 11a_100000724843_100000062450 [0,2,0,0,0,0|1,0,0]=3 3642 B11R0.29 CC(=O)OCCNC(=O)C(C)F 240690a_100000724843_100000062450 [0,2,0,0,0,0|1,0,0]=3 3643 B11R0.29 CC(=O)OCCNC(=O)C(C)F 527a_100000724843_100000062450 [0,2,0,0,0,0|1,0,0]=3 3644 B11R0.29 CC(=O)OCCNC(=O)C(F)F 11a_100000724843_100000210393 [0,2,0,0,0,0|2,0,0]=4 3645 B11R0.29 CC(=O)OCCNC(=O)C(F)F 240690a_100000724843_100000210393 [0,2,0,0,0,0|2,0,0]=4 3646 B11R0.29 CC(=O)OCCNC(=O)C(F)F 527a_100000724843_100000210393 [0,2,0,0,0,0|2,0,0]=4 3647 B11R0.29 CC(=O)OCCNC(=O)C(O)O 240690a_100000724843_100000233687 [0,2,0,0,0,0|2,0,0]=4 3648 B11R0.29 CC(=O)OCCNC(=O)[C@@H](C)O 240690a_100000724843_100000717761 [0,2,0,0,0,0|1,0,0]=3 3649 B11R0.29 CC(=O)OCCNC(=O)[C@H](C)O 240690a_100000724843_217856618621 [0,2,0,0,0,0|1,0,0]=3 3650 B11R0.29 CC(=O)OCCOC(C)C(C)C 7a_100000748068_100009814007 [0,2,0,0,0,0|1,0,1]=4 3651 B11R0.29 CC(=O)OCSCC(=O)C(C)C 62a_100000076356_100000753385 [0,2,0,0,0,0|1,0,1]=4 3652 B11R0.29 CC(=O)OCSCC(=O)C(C)C 62a_100000753385_100000076356 [0,2,0,0,0,0|1,0,1]=4 3653 B11R0.29 CC(=O)SCCCC(=O)C(C)C 1458a_100000210198_100000038929 [0,2,0,0,0,0|0,1,1]=4 3654 B11R0.29 CC(=O)SCCCC(=O)C(C)F 1458a_100000062450_100000038929 [0,2,0,0,0,0|0,1,1]=4 3655 B11R0.29 CC(=O)SCCCC(=O)[C@@H](C)O 1458a_100000717761_100000038929 [0,2,0,0,0,0|0,1,1]=4 3656 B11R0.29 CC(=O)SCCCC(=O)[C@H](C)O 1458a_217856618621_100000038929 [0,2,0,0,0,0|0,1,1]=4 3657 B11R0.29 CC(=O)SCCNC(=O)C(C)C 11a_100020647217_100000210198 [0,2,0,0,0,0|1,1,0]=4 3658 B11R0.29 CC(=O)SCCNC(=O)C(C)C 240690a_100020647217_100000210198 [0,2,0,0,0,0|1,1,0]=4 3659 B11R0.29 CC(=O)SCCNC(=O)C(C)C 527a_100020647217_100000210198 [0,2,0,0,0,0|1,1,0]=4 3660 B11R0.29 CC(=O)SCCNC(=O)C(C)F 11a_100020647217_100000062450 [0,2,0,0,0,0|1,1,0]=4 3661 B11R0.29 CC(=O)SCCNC(=O)C(C)F 240690a_100020647217_100000062450 [0,2,0,0,0,0|1,1,0]=4 3662 B11R0.29 CC(=O)SCCNC(=O)C(C)F 527a_100020647217_100000062450 [0,2,0,0,0,0|1,1,0]=4 3663 B11R0.29 CC(=O)SCCNC(=O)[C@@H](C)O 240690a_100020647217_100000717761 [0,2,0,0,0,0|1,1,0]=4 3664 B11R0.29 CC(=O)SCCNC(=O)[C@H](C)O 240690a_100020647217_217856618621 [0,2,0,0,0,0|1,1,0]=4 3665 B11R0.29 CC(=S)OCCCC(=O)C(C)C 1458a_100000210198_200135323944 [0,2,0,0,0,0|0,1,1]=4 3666 B11R0.29 CC(=S)OCCCC(=O)C(C)F 1458a_100000062450_200135323944 [0,2,0,0,0,0|0,1,1]=4 3667 B11R0.29 CC(=S)OCCCC(=O)[C@@H](C)O 1458a_100000717761_200135323944 [0,2,0,0,0,0|0,1,1]=4 3668 B11R0.29 CC(=S)OCCCC(=O)[C@H](C)O 1458a_217856618621_200135323944 [0,2,0,0,0,0|0,1,1]=4 3669 B11R0.93 CCC(=O)CC(=O)COC(=O)C 1458a_100000183556_100000747405 [0,2,0,0,0,0|0,0,2]=4 3670 B11R0.93 CCC(=O)CC(C)CSC(=O)C 1458a_100000210414_200000116872 [0,2,0,0,0,0|0,1,1]=4 3671 B11R0.93 CCC(C)NC(C)COC(=O)C 270004a_100000209981_100000000629 [0,2,0,0,0,0|1,0,1]=4 3672 B11R0.93 CCN(C)CC(O)COC(=O)C 269982a_100000225621_200000139349 [0,2,0,0,0,0|1,0,1]=4 3673 B11R0.106 CCC(=O)CCCCC(=O)OC 1458a_100000210414_100000204269 [0,2,0,0,0,0|1,0,1]=4 3674 B11R0.106 CCC(=O)CCCCC(=O)OC 1458a_100000695723_100000210202 [0,2,0,0,0,0|1,0,1]=4 3675 B11R0.106 CCC(=O)CCCNC(=O)OC 1458a_100000753017_100000210202 [0,2,0,0,0,0|1,0,1]=4 3676 B11R0.106 CCC(=O)CSCOC(=O)OC 62a_100000747405_100000139417 [0,2,0,0,0,0|1,0,1]=4 3677 B11R0.106 CCC(=O)NCCCC(=O)NC 11a_100000740002_100000210414 [0,2,0,0,0,0|2,0,0]=4 3678 B11R0.106 CCC(=O)NCCCC(=O)NC 240690a_100000740002_100000210414 [0,2,0,0,0,0|2,0,0]=4 3679 B11R0.106 CCC(=O)NCCCC(=O)NC 527a_100000740002_100000210414 [0,2,0,0,0,0|2,0,0]=4 3680 B11R0.106 CCC(=O)NCCCC(=O)OC 188690a_100000184769_100000210414 [0,2,0,0,0,0|2,0,0]=4 3681 B11R0.106 CCC(=O)NCCNC(=O)CC 11a_100132302217_100000210414 [0,2,0,0,0,0|2,0,0]=4 3682 B11R0.106 CCC(=O)NCCNC(=O)CC 1626a_100132302217_100000210414 [0,2,0,0,0,0|2,0,0]=4 3683 B11R0.106 CCC(=O)NCCNC(=O)CC 240690a_100132302217_100000210414 [0,2,0,0,0,0|2,0,0]=4 3684 B11R0.106 CCC(=O)NCCNC(=O)CC 527a_100132302217_100000210414 [0,2,0,0,0,0|2,0,0]=4 3685 B11R0.106 CCC(=O)NCCNC(=O)CO 240690a_100132302217_100000210174 [0,2,0,0,0,0|2,0,0]=4 3686 B11R0.106 CCC(=O)NCCNC(=O)CO 527a_100132302217_100000210174 [0,2,0,0,0,0|2,0,0]=4 3687 B11R0.106 CCC(=O)NCCNC(=O)NC 11a_100015205895_100000210414 [0,2,0,0,0,0|2,0,0]=4 3688 B11R0.106 CCC(=O)NCCNC(=O)NC 240690a_100015205895_100000210414 [0,2,0,0,0,0|2,0,0]=4 3689 B11R0.106 CCC(=O)NCCNC(=O)NC 2708a_100102657272_100132302217 [0,2,0,0,0,0|2,0,0]=4 3690 B11R0.106 CCC(=O)NCCNC(=O)NC 2708a_100132302217_106832991635 [0,2,0,0,0,0|2,0,0]=4 3691 B11R0.106 CCC(=O)NCCNC(=O)NC 273464a_100102657272_100132302217 [0,2,0,0,0,0|2,0,0]=4 3692 B11R0.106 CCC(=O)NCCNC(=O)NC 273464a_100132302217_100102657272 [0,2,0,0,0,0|2,0,0]=4 3693 B11R0.106 CCC(=O)NCCNC(=O)NC 512a_100132302217_100102657272 [0,2,0,0,0,0|2,0,0]=4 3694 B11R0.106 CCC(=O)NCCNC(=O)NC 512a_106832991638_100132302217 [0,2,0,0,0,0|2,0,0]=4 3695 B11R0.106 CCC(=O)NCCNC(=O)NC 527a_100015205895_100000210414 [0,2,0,0,0,0|2,0,0]=4 3696 B11R0.106 CCC(=O)OCCOC(C)CC 7a_200000031056_100000758301 [0,2,0,0,0,0|1,0,1]=4 3697 B11R0.106 CCC(C)OCCOC(=O)NC 7a_100000210228_200011997002 [0,2,0,0,0,0|1,0,1]=4 3698 B11R0.106 CCC(C)OCCOC(=O)OC 34a_100010262106_100011215416 [0,2,0,0,0,0|1,0,1]=4 3699 B11R0.106 CCC(C)SCCOC(=O)NC 62a_100000758301_200011997002 [0,2,0,0,0,0|1,0,1]=4 3700 B11R0.106 CCC(C)SCCOC(=O)NC 62a_200011997002_100000758301 [0,2,0,0,0,0|1,0,1]=4 3701 B11R0.127 CCC(C)(C)OCCOC(=O)C 7a_100000210230_100009814007 [0,2,0,0,0,0|1,0,1]=4 3702 B11R0.127 CCC(C)(C)SCCOC(=O)C 62a_100000032637_100009814007 [0,2,0,0,0,0|1,0,1]=4 3703 B11R0.127 CCC(C)(C)SCCOC(=O)C 62a_100009814007_100000032637 [0,2,0,0,0,0|1,0,1]=4 3704 B11R0.127 CCS(=O)(=O)NCCOC(=O)C 270084a_100000724843_100000211323 [0,2,0,0,0,0|2,0,0]=4 3705 B11R0.127 CCS(=O)(=O)NCCOC(=O)C 274078a_100000724843_100000211323 [0,2,0,0,0,0|2,0,0]=4 3706 B11R0.127 CCS(=O)(=O)NCCOC(=O)C 40a_100000724843_100000053943 [0,2,0,0,0,0|2,0,0]=4 3707 B11R0.4 C#CCC(C)OCC/C=C\CC 34a_100000685586_100015370543 [0,2,0,0,0,0|1,0,1]=4 3708 B11R0.4 C#CCC(C)OCC/C=C\CC 7a_100000685586_100015370543 [0,2,0,0,0,0|1,0,1]=4 3709 B11R0.4 C/C=C/C(C)OCC/C=C\CC 34a_200102604097_100015370543 [0,2,0,0,0,0|1,0,1]=4 3710 B11R0.4 C=CC[C@@H](C)OCC/C=C\CC 34a_100000731007_100015370543 [0,2,0,0,0,0|1,0,1]=4 3711 B11R0.4 C=CC[C@@H](C)OCC/C=C\CC 7a_100000731007_100015370543 [0,2,0,0,0,0|1,0,1]=4 3712 B11R0.4 CC#CC(C)OCC/C=C\CC 34a_100011216543_100015370543 [0,2,0,0,0,0|1,0,1]=4 3713 B11R0.4 CC/C=C\CCOC(C)CC#N 7a_100016288707_100009813641 [0,2,0,0,0,0|1,0,1]=4 3714 B11R0.4 CC/C=C\CCOC(C)CCBr 34a_100012276601_100015370543 [0,2,0,0,0,0|1,0,1]=4 3715 B11R0.4 CC/C=C\CCOC(C)CCC 34a_100000764384_100015370543 [0,2,0,0,0,0|1,0,1]=4 3716 B11R0.4 CC/C=C\CCOC(C)CCC 34a_100016288707_100000766640 [0,2,0,0,0,0|1,0,1]=4 3717 B11R0.4 CC/C=C\CCOC(C)CCC 7a_100000764384_100015370543 [0,2,0,0,0,0|1,0,1]=4 3718 B11R0.4 CC/C=C\CCOC(C)CCC 7a_100016288707_100000766640 [0,2,0,0,0,0|1,0,1]=4 3719 B11R0.4 CC/C=C\CCOC(C)CCO 34a_100016288707_100009893172 [0,2,0,0,0,0|0,0,2]=4 3720 B11R0.4 CC/C=C\CCOC(C)CCO 7a_100016288707_100009893172 [0,2,0,0,0,0|0,0,2]=4 3721 B11R0.4 CC/C=C\CCOC(C)COC 34a_100016288707_100000765312 [0,2,0,0,0,0|0,0,2]=4 3722 B11R0.4 CC/C=C\CCOC(C)COC 7a_100016288707_100000765312 [0,2,0,0,0,0|0,0,2]=4 3723 B11R0.4 CC/C=C\CCO[C@H](C)COC 34a_100011934205_100015370543 [0,2,0,0,0,0|0,0,2]=4 3724 B11R0.4 CC/C=C\CNCC(=O)NCC 2230a_100016988866_100103147603 [0,2,0,0,0,0|2,0,0]=4 3725 B11R0.4 CC/C=C\COCC(=O)NCC 34a_100016268518_100000183381 [0,2,0,0,0,0|2,0,0]=4 3726 B11R0.4 CC/C=C\COCC(=O)NCO 34a_100016268518_100000185155 [0,2,0,0,0,0|2,0,0]=4 3727 B11R0.4 CC/C=C\COCC(=O)OCC 34a_100016268518_100000188475 [0,2,0,0,0,0|2,0,0]=4 3728 B11R0.4 CC/C=C\CSCC(=O)CCC 62a_100000747444_100103147603 [0,2,0,0,0,0|2,0,0]=4 3729 B11R0.4 CC/C=C\CSCC(=O)CCC 62a_100103147603_100000747444 [0,2,0,0,0,0|2,0,0]=4 3730 B11R0.4 CC/C=C\CSCC(=O)NCC 62a_100000183381_100103147603 [0,2,0,0,0,0|2,0,0]=4 3731 B11R0.4 CC/C=C\CSCC(=O)NCC 62a_100103147603_100000183381 [0,2,0,0,0,0|2,0,0]=4 3732 B11R0.4 CC/C=C\CSCC(=O)NCO 62a_100000185155_100103147603 [0,2,0,0,0,0|2,0,0]=4 3733 B11R0.4 CC/C=C\CSCC(=O)NCO 62a_100103147603_100000185155 [0,2,0,0,0,0|2,0,0]=4 3734 B11R0.4 CC/C=C\CSCC(=O)OCC 62a_100000188475_100103147603 [0,2,0,0,0,0|2,0,0]=4 3735 B11R0.4 CC/C=C\CSCC(=O)OCC 62a_100103147603_100000188475 [0,2,0,0,0,0|2,0,0]=4 3736 B11R0.124 C#CC(CC)OCC/C=C\CC 34a_100000758843_100015370543 [0,2,0,0,0,0|1,0,1]=4 3737 B11R0.124 C#CC(CC)OCC/C=C\CC 7a_100000758843_100015370543 [0,2,0,0,0,0|1,0,1]=4 3738 B11R0.124 C=CC(CC)OCC/C=C\CC 34a_100000766422_100015370543 [0,2,0,0,0,0|1,0,1]=4 3739 B11R0.124 C=CC(CC)OCC/C=C\CC 7a_100000766422_100015370543 [0,2,0,0,0,0|1,0,1]=4 3740 B11R0.124 CC/C=C\CCOC(C=O)C=O 34a_100016288707_100000736813 [0,2,0,0,0,0|0,0,2]=4 3741 B11R0.124 CC/C=C\CCOC(CC)CC 7a_100000688536_100015370543 [0,2,0,0,0,0|1,0,1]=4 3742 B11R0.124 CC/C=C\CCOC(CC)CC 7a_100016288707_100000210505 [0,2,0,0,0,0|1,0,1]=4 3743 B11R0.124 CC/C=C\CCOC(CCl)CCl 7a_100000737055_100015370543 [0,2,0,0,0,0|1,0,1]=4 3744 B11R0.124 CC/C=C\CCOC(CF)CF 34a_100000032261_100015370543 [0,2,0,0,0,0|1,0,1]=4 3745 B11R0.124 CC/C=C\CCOC(CF)CF 7a_100000032261_100015370543 [0,2,0,0,0,0|1,0,1]=4 3746 B11R0.124 CC/C=C\CCOC(CN)CN 34a_100000031598_100015370543 [0,2,0,0,0,0|1,0,1]=4 3747 B11R0.124 CC/C=C\CCO[C@@H](CF)CCl 34a_100015614560_100015370543 [0,2,0,0,0,0|1,0,1]=4 3748 B11R0.124 CC/C=C\CCO[C@@H](CF)CCl 7a_100015614560_100015370543 [0,2,0,0,0,0|1,0,1]=4 3749 B11R0.142 C/C=C(\C)/C(=O)CC/C=C\CC 1458a_100020587367_100015370543 [0,2,0,0,0,0|2,0,0]=4 3750 B11R0.142 CC/C=C\CCC(=O)C(=O)NC 1458a_100011218921_100015370543 [0,2,0,0,0,0|1,0,0]=3 3751 B11R0.142 CC/C=C\CN[C@H](C)C(=O)NC 2230a_100000684985_100103147603 [0,2,0,0,0,0|2,0,0]=4 3752 B11R0.142 CC/C=C\CN[C@H](C)C(=O)NC 34a_100000684985_100103147603 [0,2,0,0,0,0|2,0,0]=4 3753 B11R0.142 CC/C=C\COC(C)C(=O)NC 34a_100016268518_100000731044 [0,2,0,0,0,0|2,0,0]=4 3754 B11R0.142 CC/C=C\COC(C)C(=O)OC 34a_100011215400_100103147603 [0,2,0,0,0,0|2,0,0]=4 3755 B11R0.142 CC/C=C\COC(C)C(=O)OC 34a_100016268518_100000211248 [0,2,0,0,0,0|2,0,0]=4 3756 B11R0.142 CC/C=C\COC(F)C(=O)NC 34a_100016268518_100009813575 [0,2,0,0,0,0|2,0,0]=4 3757 B11R0.142 CC/C=C\CSC(C)C(=O)CC 62a_100000742827_100103147603 [0,2,0,0,0,0|2,0,0]=4 3758 B11R0.142 CC/C=C\CSC(C)C(=O)CC 62a_100103147603_100000742827 [0,2,0,0,0,0|2,0,0]=4 3759 B11R0.142 CC/C=C\CSC(C)C(=O)NC 62a_100000209862_100103147603 [0,2,0,0,0,0|2,0,0]=4 3760 B11R0.142 CC/C=C\CSC(C)C(=O)NC 62a_100103147603_100000731044 [0,2,0,0,0,0|2,0,0]=4 3761 B11R0.142 CC/C=C\CSC(C)C(=O)OC 62a_100000211248_100103147603 [0,2,0,0,0,0|2,0,0]=4 3762 B11R0.142 CC/C=C\CSC(C)C(=O)OC 62a_100103147603_100000211248 [0,2,0,0,0,0|2,0,0]=4 3763 B11R0.142 CC/C=C\CSC(F)C(=O)NC 62a_100009813575_100103147603 [0,2,0,0,0,0|2,0,0]=4 3764 B11R0.142 CC/C=C\CSC(F)C(=O)NC 62a_100103147603_100009813575 [0,2,0,0,0,0|2,0,0]=4 3765 B11R0.125 CC/C=C\COC(C)(C)C(=O)C 34a_100000747739_100103147603 [0,2,0,0,0,0|2,0,0]=4 3766 B11R0.125 CC/C=C\COC(C)(C)C(=O)C 7a_100000747739_100103147603 [0,2,0,0,0,0|2,0,0]=4 3767 B11R0.125 CC/C=C\CSC(C)(C)C(=O)C 62a_100000075568_100103147603 [0,2,0,0,0,0|2,0,0]=4 3768 B11R0.125 CC/C=C\CSC(C)(C)C(=O)C 62a_100103147603_100000075568 [0,2,0,0,0,0|2,0,0]=4 3769 B11R0.163 CCC=CC(=O)CC(=O)C(=O)C 1458a_100000212282_100011261029 [0,2,0,0,0,0|1,0,1]=4 3770 B11R0.85 CC(=O)OCC(C)NCC(C)C 270004a_100000210953_100000000629 [0,2,0,0,0,0|1,0,1]=4 3771 B11R0.85 CC(=O)OCC(C)NCC(C)O 270004a_100000210904_100000000629 [0,2,0,0,0,0|1,0,1]=4 3772 B11R0.85 CC(=O)OCC(O)CNC(C)C 34a_100138425928_200000139349 [0,2,0,0,0,0|1,0,1]=4 3773 B11R0.85 CC(=O)OCC(O)COC(C)C 34a_100000212225_200000139349 [0,2,0,0,0,0|1,0,1]=4 3774 B11R0.85 CC(=O)OCC(O)CSC(C)C 62a_100000210206_200000139349 [0,2,0,0,0,0|1,0,1]=4 3775 B11R0.85 CC(=O)OCC(O)CSC(C)C 62a_200000139349_100000210206 [0,2,0,0,0,0|1,0,1]=4 3776 B11R0.164 CCCOC(CCl)COC(=O)C 7a_200000139349_100000210303 [0,2,0,0,0,0|1,0,1]=4 3777 B9R1.8 CCOC1CC=CCC1 34a_100000073881_100000210202 [1,0,0,1,0,0|0,0,1]=3 3778 B9R1.8 CNCC1CC=CCC1 270004a_106832991635_100000189434 [1,0,0,1,0,0|2,0,0]=4 3779 B9R1.8 COCC1CC=CCC1 34a_100000210713_200000210301 [1,0,0,1,0,0|2,0,0]=4 3780 B9R1.8 FCOC1CC=CCC1 34a_100000073881_100015361967 [1,0,0,1,0,0|1,0,1]=4 3781 B9R1.8 O=CCN1CC=CCC1 2230a_100000698166_200015260668 [1,0,0,1,0,0|2,0,0]=4 3782 B9R1.8 O=CCN1CC=CCC1 269982a_100000698166_200015260668 [1,0,0,1,0,0|2,0,0]=4 3783 B9R1.8 O=CCN1CC=CCC1 34a_100000698166_200009817547 [1,0,0,1,0,0|2,0,0]=4 3784 B9R1.8 [13CH3]OCC1CC=CCC1 34a_100000210713_200025704644 [1,0,0,1,0,0|2,0,0]=4 3785 B9R1.33 CCNC1CCOC1=O 2230a_100015525214_100000211211 [1,0,0,1,0,0|1,0,1]=4 3786 B9R1.33 CCOC1CCOC1=O 34a_100121572206_100000211211 [1,0,0,1,0,0|1,0,1]=4 3787 B9R1.33 CCSC1CCOC1=O 62a_100000210202_100000211211 [1,0,0,1,0,0|1,0,1]=4 3788 B9R1.33 CCSC1CCOC1=O 62a_100000211211_100000210202 [1,0,0,1,0,0|1,0,1]=4 3789 B9R1.2 CCN1CCNC(=O)C1 2230a_100000184651_100000210202 [1,0,0,1,0,0|2,0,0]=4 3790 B9R1.2 CCN1CCOC(=O)C1 2230a_100000131268_100000210202 [1,0,0,1,0,0|1,0,0]=3 3791 B9R1.6 CC(=O)C1C=CCCC1 1458a_100000070787_100000751183 [1,0,0,1,0,0|0,0,2]=4 3792 B9R1.6 CC(=O)C1CCCCC1 1458a_100000070787_100000210327 [1,0,0,1,0,0|0,0,2]=4 3793 B9R1.6 CC(=O)C1CCCCC1 1458a_100000210647_200000210301 [1,0,0,1,0,0|0,0,2]=4 3794 B9R1.6 CC(=O)C1CCCOC1 1458a_100000070787_100000693364 [1,0,0,1,0,0|1,0,1]=4 3795 B9R1.6 CC(=O)C1CCCOC1 1458a_100000741522_200000210301 [1,0,0,1,0,0|1,0,1]=4 3796 B9R1.6 CC(=O)C1CCOCC1 1458a_100000070787_100011324220 [1,0,0,1,0,0|1,0,1]=4 3797 B9R1.6 CC(=O)C1CCOCC1 1458a_100000195482_200000210301 [1,0,0,1,0,0|1,0,1]=4 3798 B9R1.6 CC(=O)C1CCSCC1 1458a_100000755232_200000210301 [1,0,0,1,0,0|1,0,1]=4 3799 B9R1.6 CC(=O)N1CC=CCC1 11a_100000698166_100015343762 [1,0,0,1,0,0|1,0,0]=3 3800 B9R1.6 CC(=O)N1CC=CCC1 1626a_100000698166_100015343762 [1,0,0,1,0,0|1,0,0]=3 3801 B9R1.6 CC(=O)N1CC=CCC1 240690a_100000698166_100015343762 [1,0,0,1,0,0|1,0,0]=3 3802 B9R1.6 CC(=O)N1CC=CCC1 527a_100000698166_100103153847 [1,0,0,1,0,0|1,0,0]=3 3803 B9R1.6 CC(=O)N1CCOCC1 11a_100015191051_100015343762 [1,0,0,1,0,0|2,0,0]=4 3804 B9R1.6 CC(=O)N1CCOCC1 1626a_100015191051_100015343762 [1,0,0,1,0,0|2,0,0]=4 3805 B9R1.6 CC(=O)N1CCOCC1 240690a_100015191051_100015343762 [1,0,0,1,0,0|2,0,0]=4 3806 B9R1.6 CC(=O)N1CCOCC1 527a_100015191051_100103153847 [1,0,0,1,0,0|2,0,0]=4 3807 B9R1.6 CC(=O)N1CCSCC1 11a_100000737611_100015343762 [1,0,0,1,0,0|2,0,0]=4 3808 B9R1.6 CC(=O)N1CCSCC1 240690a_100000737611_100015343762 [1,0,0,1,0,0|2,0,0]=4 3809 B9R1.6 CC(=O)N1CCSCC1 527a_100000737611_100103153847 [1,0,0,1,0,0|2,0,0]=4 3810 B9R1.6 CC(=O)[C@H]1CC=CCC1 1458a_100009820709_200000210301 [1,0,0,1,0,0|0,0,0]=2 3811 B9R1.6 [13CH3]C(=O)C1CCCCC1 1458a_100000210647_200025704644 [1,0,0,1,0,0|0,0,2]=4 3812 B9R1.6 [13CH3]C(=O)C1CCCOC1 1458a_100000741522_200025704644 [1,0,0,1,0,0|1,0,1]=4 3813 B9R1.6 [13CH3]C(=O)C1CCOCC1 1458a_100000195482_200025704644 [1,0,0,1,0,0|1,0,1]=4 3814 B9R1.6 [13CH3]C(=O)C1CCSCC1 1458a_100000755232_200025704644 [1,0,0,1,0,0|1,0,1]=4 3815 B9R1.6 [13CH3]C(=O)[C@H]1CC=CCC1 1458a_100009820709_200025704644 [1,0,0,1,0,0|0,0,0]=2 3816 B9R1.7 CCNC1CNC(=O)C1 2230a_100000697751_100000210202 [1,0,0,1,0,0|2,0,0]=4 3817 B9R1.7 CCOC1CCC(=O)C1 34a_100012614533_100000210202 [1,0,0,1,0,0|1,0,1]=4 3818 B9R1.7 CCOC1CNC(=O)C1 34a_100000690082_100000210202 [1,0,0,1,0,0|2,0,0]=4 3819 B9R1.7 CCOC1COC(=O)O1 34a_100121572206_100000032252 [1,0,0,1,0,0|2,0,0]=4 3820 B9R1.7 CCSC1COC(=O)O1 62a_100000210202_100000032252 [1,0,0,1,0,0|2,0,0]=4 3821 B9R1.9 CCCSC1CC(=O)C1 62a_100009894365_100000210303 [1,0,0,1,0,0|1,0,1]=4 3822 B9R1.9 CCNCC1CC(=O)C1 2230a_100015525214_100009874392 [1,0,0,1,0,0|1,0,1]=4 3823 B9R1.9 CCOCC1CC(=O)C1 34a_100000101936_100000210202 [1,0,0,1,0,0|1,0,1]=4 3824 B9R1.9 CCSCC1CC(=O)C1 62a_100000210202_100009874392 [1,0,0,1,0,0|1,0,1]=4 3825 B9R1.9 CCSCC1CC(=O)C1 62a_100009874392_100000210202 [1,0,0,1,0,0|1,0,1]=4 3826 B9R1.13 CC(=O)CC1=CCCC1 1458a_100000050221_200000210301 [1,0,0,1,0,0|0,0,2]=4 3827 B9R1.13 CC(=O)CC1C=CCC1 1458a_100000212241_200000210301 [1,0,0,1,0,0|0,0,0]=2 3828 B9R1.13 CC(=O)CC1CC=CC1 1458a_200000137526_200000210301 [1,0,0,1,0,0|1,0,0]=3 3829 B9R1.13 CC(=O)CC1CCCC1 1458a_100000070787_100000740388 [1,0,0,1,0,0|0,0,2]=4 3830 B9R1.13 CC(=O)CC1CCCC1 1458a_100000210891_200000210301 [1,0,0,1,0,0|0,0,2]=4 3831 B9R1.13 CC(=O)CC1CCCO1 1458a_100000070787_100000203698 [1,0,0,1,0,0|1,0,1]=4 3832 B9R1.13 CC(=O)CC1CCOC1 1458a_100000070787_100000702531 [1,0,0,1,0,0|1,0,1]=4 3833 B9R1.13 CC(=O)CC1CCOC1 1458a_100011218419_200000210301 [1,0,0,1,0,0|1,0,1]=4 3834 B9R1.13 CC(=O)NC1CC=CC1 11a_100015188752_100015343762 [1,0,0,1,0,0|1,0,0]=3 3835 B9R1.13 CC(=O)NC1CC=CC1 1626a_100015188752_100015343762 [1,0,0,1,0,0|1,0,0]=3 3836 B9R1.13 CC(=O)NC1CC=CC1 240690a_100015188752_100015343762 [1,0,0,1,0,0|1,0,0]=3 3837 B9R1.13 CC(=O)NC1CC=CC1 527a_100015188752_100103153847 [1,0,0,1,0,0|1,0,0]=3 3838 B9R1.13 CC(=O)NC1CCCC1 11a_100000211070_100015343762 [1,0,0,1,0,0|1,0,1]=4 3839 B9R1.13 CC(=O)NC1CCCC1 1626a_100000211070_100015343762 [1,0,0,1,0,0|1,0,1]=4 3840 B9R1.13 CC(=O)NC1CCCC1 240690a_100000211070_100015343762 [1,0,0,1,0,0|1,0,1]=4 3841 B9R1.13 CC(=O)NC1CCCC1 527a_100000211070_100103153847 [1,0,0,1,0,0|1,0,1]=4 3842 B9R1.13 CC(=O)N[C@@H]1CCOC1 240690a_200015188469_100015343762 [1,0,0,1,0,0|2,0,0]=4 3843 B9R1.13 CC(=O)N[C@@H]1CCOC1 527a_200015188469_100103153847 [1,0,0,1,0,0|2,0,0]=4 3844 B9R1.13 CC(=O)N[C@H]1CCOC1 11a_100015188467_100015343762 [1,0,0,1,0,0|2,0,0]=4 3845 B9R1.13 CC(=O)N[C@H]1CCOC1 1626a_100015188467_100015343762 [1,0,0,1,0,0|2,0,0]=4 3846 B9R1.13 CC(=O)N[C@H]1CCOC1 240690a_100015188467_100015343762 [1,0,0,1,0,0|2,0,0]=4 3847 B9R1.13 CC(=O)N[C@H]1CCOC1 527a_100015188467_100103153847 [1,0,0,1,0,0|2,0,0]=4 3848 B9R1.13 [13CH3]C(=O)CC1=CCCC1 1458a_100000050221_200025704644 [1,0,0,1,0,0|0,0,2]=4 3849 B9R1.13 [13CH3]C(=O)CC1C=CCC1 1458a_100000212241_200025704644 [1,0,0,1,0,0|0,0,0]=2 3850 B9R1.13 [13CH3]C(=O)CC1CC=CC1 1458a_200000137526_200025704644 [1,0,0,1,0,0|1,0,0]=3 3851 B9R1.13 [13CH3]C(=O)CC1CCCC1 1458a_100000210891_200025704644 [1,0,0,1,0,0|0,0,2]=4 3852 B9R1.13 [13CH3]C(=O)CC1CCOC1 1458a_100011218419_200025704644 [1,0,0,1,0,0|1,0,1]=4 3853 B9R1.41 CC(=O)C1CCCC1C 1458a_100000690547_200000210301 [1,0,0,1,0,0|0,0,2]=4 3854 B9R1.41 CC(=O)N1CCC[C@@H]1C 240690a_100020605311_100015343762 [1,0,0,1,0,0|1,0,1]=4 3855 B9R1.41 CC(=O)N1CCC[C@@H]1C 527a_100020605311_100103153847 [1,0,0,1,0,0|1,0,1]=4 3856 B9R1.41 CC(=O)N1CCC[C@H]1C 11a_100015189458_100015343762 [1,0,0,1,0,0|1,0,1]=4 3857 B9R1.41 CC(=O)N1CCC[C@H]1C 240690a_100015189458_100015343762 [1,0,0,1,0,0|1,0,1]=4 3858 B9R1.41 CC(=O)N1CCC[C@H]1C 527a_100015189458_100103153847 [1,0,0,1,0,0|1,0,1]=4 3859 B9R1.41 CC(=O)N1CCSC1C 11a_200011216479_100015343762 [1,0,0,1,0,0|2,0,0]=4 3860 B9R1.41 CC(=O)N1CCSC1C 1626a_200011216479_100015343762 [1,0,0,1,0,0|2,0,0]=4 3861 B9R1.41 CC(=O)N1CCSC1C 240690a_200011216479_100015343762 [1,0,0,1,0,0|2,0,0]=4 3862 B9R1.41 CC(=O)N1CCSC1C 527a_200011216479_100103153847 [1,0,0,1,0,0|2,0,0]=4 3863 B9R1.41 CC1CCCC1C(=O)[13CH3] 1458a_100000690547_200025704644 [1,0,0,1,0,0|0,0,2]=4 3864 B9R1.84 CC(=O)CCN1CCC1 269982a_100000754969_100000053229 [1,0,0,1,0,0|1,0,1]=4 3865 B9R1.84 CC(=O)NCC1CCC1 11a_100000738700_100015343762 [1,0,0,1,0,0|1,0,1]=4 3866 B9R1.84 CC(=O)NCC1CCC1 1626a_100000738700_100015343762 [1,0,0,1,0,0|1,0,1]=4 3867 B9R1.84 CC(=O)NCC1CCC1 240690a_100000738700_100015343762 [1,0,0,1,0,0|1,0,1]=4 3868 B9R1.84 CC(=O)NCC1CCC1 527a_100000738700_100103153847 [1,0,0,1,0,0|1,0,1]=4 3869 B9R1.84 CC(=O)NC[C@@H]1CCO1 11a_100020831831_100015343762 [1,0,0,1,0,0|2,0,0]=4 3870 B9R1.84 CC(=O)NC[C@@H]1CCO1 1626a_100020831831_100015343762 [1,0,0,1,0,0|2,0,0]=4 3871 B9R1.84 CC(=O)NC[C@@H]1CCO1 240690a_100020831831_100015343762 [1,0,0,1,0,0|2,0,0]=4 3872 B9R1.84 CC(=O)NC[C@@H]1CCO1 527a_100020831831_100103153847 [1,0,0,1,0,0|2,0,0]=4 3873 B9R1.84 CC(=O)OCN1CCC1 269982a_100000754969_100000076356 [1,0,0,1,0,0|1,0,1]=4 3874 B9R1.85 CC(=O)CCOC1CC1 34a_100000759926_100000211595 [1,0,0,1,0,0|1,0,1]=4 3875 B9R1.85 CC(=O)CCSC1CC1 62a_100000053229_100000211595 [1,0,0,1,0,0|1,0,1]=4 3876 B9R1.85 CC(=O)NCCC1CC1 1626a_100000764129_100015343762 [1,0,0,1,0,0|1,0,1]=4 3877 B9R1.85 CC(=O)NCCC1CC1 240690a_100000764129_100015343762 [1,0,0,1,0,0|1,0,1]=4 3878 B9R1.85 CC(=O)NCCC1CC1 527a_100000764129_100103153847 [1,0,0,1,0,0|1,0,1]=4 3879 B9R1.85 CC(=O)OCNC1CC1 34a_100000212008_100009813279 [1,0,0,1,0,0|1,0,1]=4 3880 B9R1.85 CC(=O)OCSC1CC1 62a_100000076356_100000211595 [1,0,0,1,0,0|1,0,1]=4 3881 B11R1.15 CCCC(=O)C1CNC(=O)C1 1458a_100000747279_100000210303 [0,1,0,1,0,0|1,0,1]=4 3882 B11R1.15 CCNC(=O)C1CNC(=O)C1 11a_100015525214_100000747279 [0,1,0,1,0,0|2,0,0]=4 3883 B11R1.15 CCNC(=O)C1CNC(=O)C1 240690a_100015525214_100000747279 [0,1,0,1,0,0|2,0,0]=4 3884 B11R1.15 CCNC(=O)C1CNC(=O)C1 527a_100015525214_100000747279 [0,1,0,1,0,0|2,0,0]=4 3885 B11R1.90 CC(=O)CCC1CCOC1=O 1458a_100000117037_200000210301 [0,1,0,1,0,0|2,0,0]=4 3886 B11R1.90 CC(=O)OCN1CCC[C@@H]1C 269982a_100020605311_100000076356 [0,1,0,1,0,0|0,0,2]=4 3887 B11R1.90 CC(=O)OCN1CCC[C@H]1C 269982a_100015189458_100000076356 [0,1,0,1,0,0|0,0,2]=4 3888 B11R1.90 CC(=O)OCN1CCC[C@H]1C 34a_100015189458_100009813279 [0,1,0,1,0,0|0,0,2]=4 3889 B11R1.90 CC(=O)OCN1CCSC1C 269982a_200011216479_100000076356 [0,1,0,1,0,0|1,0,1]=4 3890 B11R1.90 CC(=O)OCN1CCSC1C 34a_200011216479_100009813279 [0,1,0,1,0,0|1,0,1]=4 3891 B11R1.90 [13CH3]C(=O)CCC1CCOC1=O 1458a_100000117037_200025704644 [0,1,0,1,0,0|2,0,0]=4 3892 B11R1.120 CCCN1CC(C1)OC(=O)C 269982a_100016994906_100000210303 [0,1,0,1,0,0|1,0,1]=4 3893 B11R1.154 CC(=O)OCCN1CC(C1)C 269982a_100000702820_100009814007 [0,1,0,1,0,0|1,0,1]=4 3894 B11R1.154 CC(=O)OCCN1CC(C1)C 34a_100000702820_100009814007 [0,1,0,1,0,0|1,0,1]=4 3895 B11R1.154 CC(=O)OCCN1CC(C1)F 269982a_100000690557_100009814007 [0,1,0,1,0,0|1,0,1]=4 3896 B11R1.154 CC(=O)OCCN1CC(C1)F 34a_100000690557_100009814007 [0,1,0,1,0,0|1,0,1]=4 3897 B11R1.154 CC(=O)OCCN1CC(C1)O 269982a_100000749847_100009814007 [0,1,0,1,0,0|1,0,1]=4 3898 B11R1.157 CC(=O)NC1CCNC(=O)C1 11a_100016994916_100015343762 [0,1,0,1,0,0|2,0,0]=4 3899 B11R1.157 CC(=O)NC1CCNC(=O)C1 1626a_100016994916_100015343762 [0,1,0,1,0,0|2,0,0]=4 3900 B11R1.157 CC(=O)NC1CCNC(=O)C1 240690a_100016994916_100015343762 [0,1,0,1,0,0|2,0,0]=4 3901 B11R1.157 CC(=O)NC1CCNC(=O)C1 527a_100016994916_100103153847 [0,1,0,1,0,0|2,0,0]=4 3902 B11R1.157 CC(C)CN1CCOC(=O)C1 2230a_100000131268_100000210760 [0,1,0,1,0,0|1,0,1]=4 3903 B11R1.157 CC(C)CN1CCOC(=O)C1 270004a_100000131268_100000210432 [0,1,0,1,0,0|1,0,1]=4 3904 B11R1.157 CC(O)CN1CCOC(=O)C1 2230a_100000131268_100011218427 [0,1,0,1,0,0|1,0,1]=4 3905 B11R1.157 C[C@@H](O)CN1CCOC(=O)C1 2230a_100000131268_100009817552 [0,1,0,1,0,0|1,0,1]=4 3906 B11R1.172 CC(=O)COCC1CCCC1 34a_100000211253_100000740388 [0,1,0,1,0,0|0,0,2]=4 3907 B11R1.172 CC(=O)COCC1CCCO1 1458a_100011223388_200000210301 [0,1,0,1,0,0|1,0,1]=4 3908 B11R1.172 CC(=O)COCC1CCOC1 34a_100000211253_100011261433 [0,1,0,1,0,0|1,0,1]=4 3909 B11R1.172 CC(=O)OCCN1CC=CC1 269982a_100015195280_100009814007 [0,1,0,1,0,0|0,0,2]=4 3910 B11R1.172 CC(=O)OCCN1CCCC1 269982a_100000188435_100009814007 [0,1,0,1,0,0|0,0,2]=4 3911 B11R1.172 CC(=O)OCCN1CCSC1 269982a_100011215254_100009814007 [0,1,0,1,0,0|1,0,1]=4 3912 B11R1.172 CC(=O)OCNC1CCCC1 34a_100000211070_100009813279 [0,1,0,1,0,0|0,0,2]=4 3913 B11R1.172 CC(=O)OCN[C@H]1CCOC1 34a_100015188467_100009813279 [0,1,0,1,0,0|1,0,1]=4 3914 B11R1.172 CC(=O)OCOC1CCCC1 34a_100000210269_100009813279 [0,1,0,1,0,0|0,0,2]=4 3915 B11R1.172 CC(=O)OCOC1CCCO1 34a_100000085407_100009813279 [0,1,0,1,0,0|1,0,1]=4 3916 B11R1.172 CC(=O)OCO[C@H]1CCOC1 34a_100000717292_100009813279 [0,1,0,1,0,0|1,0,1]=4 3917 B11R1.172 CC(=O)OCSC1CCCC1 62a_100000076356_100000179811 [0,1,0,1,0,0|0,0,2]=4 3918 B11R1.172 CC(=O)OCSC1CCCC1 62a_100011217020_100000076356 [0,1,0,1,0,0|0,0,2]=4 3919 B11R1.172 CC(=O)OCSC1CCOC1 62a_100000076356_100000690089 [0,1,0,1,0,0|1,0,1]=4 3920 B11R1.172 [13CH3]C(=O)COCC1CCCO1 1458a_100011223388_200025704644 [0,1,0,1,0,0|1,0,1]=4 3921 B11R1.201 CC=CC(=O)CC1CC(=O)C1 1458a_100000210699_100009874392 [0,1,0,1,0,0|1,0,1]=4 3922 B11R1.201 CCCC(=O)CC1CC(=O)C1 1458a_100000211992_100009874392 [0,1,0,1,0,0|1,0,1]=4 3923 B11R1.565 CC(=O)N1CCNC(=O)CC1 11a_100000698595_100015343762 [0,1,0,1,0,0|2,0,0]=4 3924 B11R1.565 CC(=O)N1CCNC(=O)CC1 1626a_100000698595_100015343762 [0,1,0,1,0,0|2,0,0]=4 3925 B11R1.565 CC(=O)N1CCNC(=O)CC1 240690a_100000698595_100015343762 [0,1,0,1,0,0|2,0,0]=4 3926 B11R1.565 CC(=O)N1CCNC(=O)CC1 527a_100000698595_100103153847 [0,1,0,1,0,0|2,0,0]=4 3927 B11R1.720 CC(=O)CCCC(=O)C1CC1 1458a_100000210395_100011215641 [0,1,0,1,0,0|1,0,1]=4 3928 B11R1.720 CC(=O)NCCC(=O)C1CC1 1458a_100000210395_100000189650 [0,1,0,1,0,0|1,0,1]=4 3929 B11R1.720 CC(=O)OCCC(=O)C1CC1 1458a_100000210395_100009814007 [0,1,0,1,0,0|0,0,1]=3 3930 B11R1.720 CC(=O)OCCC(=O)C1CO1 1458a_100000701028_100009814007 [0,1,0,1,0,0|1,0,1]=4 3931 B11R1.720 CC(=O)OCCN(C)C1CC1 269982a_100000226674_100009814007 [0,1,0,1,0,0|1,0,1]=4 3932 B11R1.720 NC(=O)OCCC(=O)C1CC1 1458a_100000210395_200011214921 [0,1,0,1,0,0|1,0,1]=4 3933 B11R1.816 CCOC(=O)[C@@H]1C[C@H]1C(=O)C 1458a_100009818562_200000210301 [0,1,0,1,0,0|2,0,0]=4 3934 B11R1.816 CCOC(=O)[C@@H]1C[C@H]1C(=O)[13CH3] 1458a_100009818562_200025704644 [0,1,0,1,0,0|2,0,0]=4 3935 B11R1.24 CC=CCN1CCOC(=O)C1 2230a_100000131268_100000070051 [0,1,0,1,0,0|0,0,2]=4 3936 B11R1.24 CCCCN1CCOC(=O)C1 2230a_100000131268_100000210211 [0,1,0,1,0,0|0,0,2]=4 3937 B11R1.24 CCNN=C1CCNC(=O)C1 4a_100000756455_100011999401 [0,1,0,1,0,0|2,0,0]=4 3938 B11R1.24 COCCN1CCOC(=O)C1 2230a_100000131268_100011201679 [0,1,0,1,0,0|1,0,1]=4 3939 B11R1.24 CSCCN1CCOC(=O)C1 2230a_100000131268_100000751147 [0,1,0,1,0,0|1,0,1]=4 3940 B11R1.24 O=C1CN(CCO1)CCCF 2230a_100000131268_100011934791 [0,1,0,1,0,0|1,0,1]=4 3941 B11R1.24 O=C1CN(CCO1)CCCO 2230a_100000131268_100000230001 [0,1,0,1,0,0|1,0,1]=4 3942 B11R1.27 CC/C=C/Cc1nc(no1)C 270196a_100000212224_100016274230 [0,1,0,1,0,0|1,0,1]=4 3943 B11R1.27 CC/C=C\CN1CNC(=O)C1 2230a_200000708111_100103147603 [0,1,0,1,0,0|1,0,0]=3 3944 B11R1.27 CCCOCC1CNC(=O)O1 34a_100000210258_100000181169 [0,1,0,1,0,0|1,0,1]=4 3945 B11R1.27 CCCOCC1CNC(=O)O1 34a_100011315639_100000210303 [0,1,0,1,0,0|1,0,1]=4 3946 B11R1.27 CCCOCC1COC(=O)O1 34a_100000210258_100000073702 [0,1,0,1,0,0|1,0,1]=4 3947 B11R1.27 CCCSCC1CNC(=O)O1 62a_100000181169_100000210303 [0,1,0,1,0,0|1,0,1]=4 3948 B11R1.27 CCCSCC1CNC(=O)O1 62a_100000210303_100000181169 [0,1,0,1,0,0|1,0,1]=4 3949 B11R1.27 CCCSCC1COC(=O)O1 62a_100000073702_100000210303 [0,1,0,1,0,0|1,0,1]=4 3950 B11R1.27 CCCSCC1COC(=O)O1 62a_100000210303_100000073702 [0,1,0,1,0,0|1,0,1]=4 3951 B11R1.78 C=C1CC(C1)NC/C=C\CC 2230a_100132301982_100103147603 [0,1,0,1,0,0|2,0,0]=4 3952 B11R1.78 CC/C=C\CSC1CC(=O)C1 62a_100009894365_100103147603 [0,1,0,1,0,0|1,0,0]=3 3953 B11R1.91 C=C(C)CCN1CC=CCC1 2230a_100000698166_100000730704 [0,1,0,1,0,0|2,0,0]=4 3954 B11R1.91 C=C(C)CCN1CC=CCC1 269982a_100000698166_100000730704 [0,1,0,1,0,0|2,0,0]=4 3955 B11R1.91 C=C(C)CCN1CC=CCC1 34a_100000698166_100000730704 [0,1,0,1,0,0|2,0,0]=4 3956 B11R1.91 C=C(C)COC1CC=CCC1 34a_100000073881_100000748629 [0,1,0,1,0,0|1,0,0]=3 3957 B11R1.91 C=C(F)COC1CC=CCC1 34a_100000073881_100009893438 [0,1,0,1,0,0|1,0,1]=4 3958 B11R1.91 CC(=CCN1CC=CCC1)C 2230a_100000698166_100000761012 [0,1,0,1,0,0|2,0,0]=4 3959 B11R1.91 CC(=CCN1CC=CCC1)C 269982a_100000698166_100000761012 [0,1,0,1,0,0|2,0,0]=4 3960 B11R1.91 CC(=CCN1CC=CCC1)C 34a_100000698166_100000761012 [0,1,0,1,0,0|2,0,0]=4 3961 B11R1.91 CC(=O)CCN1CC=CCC1 269982a_100000698166_100000053229 [0,1,0,1,0,0|1,0,0]=3 3962 B11R1.91 CC(=O)COC1CCCCC1 1458a_100000070787_100011935260 [0,1,0,1,0,0|0,0,2]=4 3963 B11R1.91 CC(=O)COC1CCCCC1 1458a_100011223303_200000210301 [0,1,0,1,0,0|0,0,2]=4 3964 B11R1.91 CC(=O)COC1CCCCC1 34a_100000211253_100000210327 [0,1,0,1,0,0|0,0,2]=4 3965 B11R1.91 CC(=O)COC1CCCOC1 34a_100000211253_100000693364 [0,1,0,1,0,0|1,0,1]=4 3966 B11R1.91 CC(=O)COC1CCSCC1 34a_100000211253_100000069128 [0,1,0,1,0,0|1,0,1]=4 3967 B11R1.91 CC(=O)OCN1CC=CCC1 269982a_100000698166_100000076356 [0,1,0,1,0,0|0,0,0]=2 3968 B11R1.91 CC(=O)OCN1CC=CCC1 34a_100000698166_100009813279 [0,1,0,1,0,0|0,0,0]=2 3969 B11R1.91 CC(=O)OCN1CCCOC1 269982a_100000131196_100000076356 [0,1,0,1,0,0|1,0,1]=4 3970 B11R1.91 CC(=O)OCN1CCCOC1 34a_100000131196_100009813279 [0,1,0,1,0,0|1,0,1]=4 3971 B11R1.91 CC(=O)OCN1CCOCC1 269982a_100015191051_100000076356 [0,1,0,1,0,0|1,0,1]=4 3972 B11R1.91 CC(=O)OCN1CCOCC1 34a_100015191051_100009813279 [0,1,0,1,0,0|1,0,1]=4 3973 B11R1.91 CC(=O)OCN1CCSCC1 269982a_100000737611_100000076356 [0,1,0,1,0,0|1,0,1]=4 3974 B11R1.91 CC(C)COC1CC=CCC1 34a_100000073881_100000210624 [0,1,0,1,0,0|1,0,1]=4 3975 B11R1.91 CC(C)OCC1CC=CCC1 34a_100000210713_100000210206 [0,1,0,1,0,0|1,0,1]=4 3976 B11R1.91 CC(C)OCC1CCC=CO1 34a_100011217868_100000210206 [0,1,0,1,0,0|1,0,1]=4 3977 B11R1.91 CC(C)OCN1CC=CCC1 2230a_100000698166_100000709892 [0,1,0,1,0,0|1,0,1]=4 3978 B11R1.91 CC(C)OCN1CC=CCC1 269982a_100000698166_100000709892 [0,1,0,1,0,0|1,0,1]=4 3979 B11R1.91 CC(C)OCN1CC=CCC1 34a_100000698166_100000709892 [0,1,0,1,0,0|1,0,1]=4 3980 B11R1.91 CC(O)COC1CC=CCC1 34a_100000073881_100011218427 [0,1,0,1,0,0|0,0,2]=4 3981 B11R1.91 C[C@@H](O)COC1CC=CCC1 34a_100000073881_100009817552 [0,1,0,1,0,0|0,0,2]=4 3982 B11R1.91 NC(=O)CCN1CC=CCC1 2230a_100000698166_100000744528 [0,1,0,1,0,0|2,0,0]=4 3983 B11R1.91 NC(=O)CCN1CC=CCC1 269982a_100000698166_100000744528 [0,1,0,1,0,0|2,0,0]=4 3984 B11R1.91 NC(=O)CCN1CC=CCC1 34a_100000698166_100000731001 [0,1,0,1,0,0|2,0,0]=4 3985 B11R1.91 NC(=O)COC1CC=CCC1 34a_100000073881_100000187820 [0,1,0,1,0,0|1,0,0]=3 3986 B11R1.91 O=C([O-])COC1CC=CCC1 34a_100000073881_100020667443 [0,1,0,1,0,0|1,0,0]=3 3987 B11R1.91 O=[N+]([O-])COC1CC=CCC1 34a_100000073881_100000761209 [0,1,0,1,0,0|2,0,0]=4 3988 B11R1.91 [13CH3]C(=O)COC1CCCCC1 1458a_100011223303_200025704644 [0,1,0,1,0,0|0,0,2]=4 3989 B11R1.99 CC/C=C/CCCOC1CC1 34a_100016287902_100000211595 [0,1,0,1,0,0|1,0,1]=4 3990 B11R1.99 CC/C=C\CCOCC1CC1 34a_100000211283_100015370543 [0,1,0,1,0,0|1,0,1]=4 3991 B11R1.99 CC/C=C\CCOCC1CC1 34a_100016288707_100000742324 [0,1,0,1,0,0|1,0,1]=4 3992 B11R1.99 CC/C=C\CCOCC1CC1 7a_100016288707_100000742324 [0,1,0,1,0,0|1,0,1]=4 3993 B11R1.99 CC/C=C\CCOCC1CO1 34a_100016288707_102125554688 [0,1,0,1,0,0|0,0,2]=4 3994 B11R1.99 CC/C=C\CCOCC1CO1 7a_100016288707_102125554688 [0,1,0,1,0,0|0,0,2]=4 3995 B11R1.99 CC/C=C\CCOCC1CS1 7a_100016288707_100000031435 [0,1,0,1,0,0|0,1,1]=4 3996 B11R1.99 CC/C=C\CCOC[C@@H]1CO1 34a_100000757423_100015370543 [0,1,0,1,0,0|0,0,2]=4 3997 B11R1.99 CC/C=C\CCOC[C@@H]1CO1 7a_100016288707_100000745022 [0,1,0,1,0,0|0,0,2]=4 3998 B11R1.102 CC(=O)OCCN[C@@H]1C[C@H]1F 34a_100025746932_100009814007 [0,1,0,1,0,0|1,0,1]=4 3999 B11R1.102 CC(=O)OCOCC1CC1C 34a_100000744939_100009813279 [0,1,0,1,0,0|0,0,2]=4 4000 B11R1.161 CC(=O)OCCN1CCC1C 269982a_100000755817_100009814007 [0,1,0,1,0,0|0,0,2]=4 4001 B11R1.161 CC(=O)OCCN1CCC1C 34a_100000755817_100009814007 [0,1,0,1,0,0|0,0,2]=4 4002 B11R1.161 CC(=O)OCSC1CCC1=O 62a_100000076356_100009892977 [0,1,0,1,0,0|1,0,1]=4 4003 B11R1.161 CC(=O)OCSC1CCC1=O 62a_100009892977_100000076356 [0,1,0,1,0,0|1,0,1]=4 4004 B11R1.174 CC(=O)OCCCN1CCC1 269982a_100000754969_100000042594 [0,1,0,1,0,0|0,0,2]=4 4005 B11R1.174 CC(=O)OCCNC1CCC1 34a_100000749019_100009814007 [0,1,0,1,0,0|0,0,2]=4 4006 B11R1.174 CC(=O)OCCOC1CCC1 34a_100000748187_100009814007 [0,1,0,1,0,0|0,0,2]=4 4007 B11R1.174 CC(=O)OCCOC1CSC1 7a_100000072292_100009814007 [0,1,0,1,0,0|1,0,1]=4 4008 B11R1.174 CC(=O)OCCSC1CCC1 62a_100009814007_100000749161 [0,1,0,1,0,0|0,0,2]=4 4009 B11R1.174 CC(=O)OCCSC1COC1 62a_100009814007_100009818527 [0,1,0,1,0,0|1,0,1]=4 4010 B11R1.174 CC(=O)OCNCC1CCC1 34a_100000738700_100009813279 [0,1,0,1,0,0|0,0,2]=4 4011 B11R1.174 CC(=O)OCNC[C@@H]1CCO1 34a_100020831831_100009813279 [0,1,0,1,0,0|1,0,1]=4 4012 B11R1.174 CC(=O)OCOCC1CCC1 34a_100000760304_100009813279 [0,1,0,1,0,0|0,0,2]=4 4013 B11R1.174 CC(=O)OCOCC1CCO1 34a_100000039022_100009813279 [0,1,0,1,0,0|1,0,1]=4 4014 B11R1.174 CC(=O)OCSCC1CCC1 62a_100000076356_100000763275 [0,1,0,1,0,0|0,0,2]=4 4015 B11R1.174 CC(=O)OCSCC1CCC1 62a_100000763275_100000076356 [0,1,0,1,0,0|0,0,2]=4 4016 B11R1.174 CC(=O)OCSCC1CCO1 62a_100000076356_100000103362 [0,1,0,1,0,0|1,0,1]=4 4017 B11R1.174 CC(=O)OCSCC1CCO1 62a_100000103362_100000076356 [0,1,0,1,0,0|1,0,1]=4 4018 B11R1.176 CC(=O)OCCCNC1CC1 34a_100000212008_100000042594 [0,1,0,1,0,0|0,0,2]=4 4019 B11R1.176 CC(=O)OCCCSC1CC1 62a_100000042594_100000211595 [0,1,0,1,0,0|0,0,2]=4 4020 B11R1.176 CC(=O)OCCNCC1CC1 34a_100000735609_100009814007 [0,1,0,1,0,0|0,0,2]=4 4021 B11R1.176 CC(=O)OCCOCC1CC1 34a_100000211283_100009814007 [0,1,0,1,0,0|0,0,2]=4 4022 B11R1.176 CC(=O)OCCOC[C@@H]1CO1 34a_100000757423_100009814007 [0,1,0,1,0,0|1,0,1]=4 4023 B11R1.176 CC(=O)OCCSCC1CC1 62a_100000756562_100009814007 [0,1,0,1,0,0|0,0,2]=4 4024 B11R1.176 CC(=O)OCCSCC1CC1 62a_100009814007_100000742324 [0,1,0,1,0,0|0,0,2]=4 4025 B11R1.176 CC(=O)OCCSCC1CO1 62a_100009814007_102125554688 [0,1,0,1,0,0|1,0,1]=4 4026 B11R1.176 CC(=O)OCCSCC1CO1 62a_102125554688_100009814007 [0,1,0,1,0,0|1,0,1]=4 4027 B11R1.176 CC(=O)OCCSCC1CS1 62a_100000031435_100009814007 [0,1,0,1,0,0|1,0,1]=4 4028 B11R1.176 CC(=O)OCCSCC1CS1 62a_100009814007_100000031435 [0,1,0,1,0,0|1,0,1]=4 4029 B11R1.176 CC(=O)OCCSC[C@@H]1CO1 62a_100000745022_100009814007 [0,1,0,1,0,0|1,0,1]=4 4030 B11R1.176 CC(=O)OCCSC[C@@H]1CO1 62a_100009814007_100000745022 [0,1,0,1,0,0|1,0,1]=4 4031 B11R1.176 CC(=O)OCNCCC1CC1 34a_100000764129_100009813279 [0,1,0,1,0,0|0,0,2]=4 4032 B11R1.176 CC(=O)OCOCCC1CC1 34a_100000754188_100009813279 [0,1,0,1,0,0|0,0,2]=4 4033 B11R1.176 CC(=O)OCSCCC1CC1 62a_100000076356_100000764125 [0,1,0,1,0,0|0,0,2]=4 4034 B11R1.176 CC(=O)OCSCCC1CC1 62a_100000764125_100000076356 [0,1,0,1,0,0|0,0,2]=4 4035 B11R1.706 CC(=O)C1CC/C=C\CCC1 1458a_100000070787_100021000466 [0,1,0,1,0,0|1,0,0]=3 4036 B11R1.320 CC/C=C\CCOC1(CC1)C 7a_100011725673_100015370543 [0,1,0,1,0,0|1,0,1]=4 4037 B11R1.509 CC(C)(C)OC1CC=CCC1 34a_100000073881_100000210625 [0,1,0,1,0,0|1,0,1]=4 4038 B11R1.20 CC(=O)NC1CCC(=O)NC1 11a_100000748762_100015343762 [0,1,0,1,0,0|2,0,0]=4 4039 B11R1.20 CC(=O)NC1CCC(=O)NC1 1626a_100000748762_100015343762 [0,1,0,1,0,0|2,0,0]=4 4040 B11R1.20 CC(=O)NC1CCC(=O)NC1 240690a_100000748762_100015343762 [0,1,0,1,0,0|2,0,0]=4 4041 B11R1.20 CC(=O)NC1CCC(=O)NC1 527a_100000748762_100103153847 [0,1,0,1,0,0|2,0,0]=4 4042 B11R1.23 CCC(=O)C1CCNC(=O)C1 1458a_100000132800_100000210202 [0,1,0,1,0,0|1,0,1]=4 4043 B11R1.23 CCC(=O)N1CCNC(=O)C1 11a_100000184651_100000210414 [0,1,0,1,0,0|2,0,0]=4 4044 B11R1.23 CCC(=O)N1CCNC(=O)C1 1626a_100000184651_100000210414 [0,1,0,1,0,0|2,0,0]=4 4045 B11R1.23 CCC(=O)N1CCNC(=O)C1 240690a_100000184651_100000210414 [0,1,0,1,0,0|2,0,0]=4 4046 B11R1.23 CCC(=O)N1CCNC(=O)C1 527a_100000184651_100000210414 [0,1,0,1,0,0|2,0,0]=4 4047 B11R1.23 CCC(=O)N1CCOC(=O)C1 11a_100000131268_100000210414 [0,1,0,1,0,0|1,0,0]=3 4048 B11R1.23 CCC(=O)N1CCOC(=O)C1 240690a_100000131268_100000210414 [0,1,0,1,0,0|1,0,0]=3 4049 B11R1.23 CCC(=O)N1CCOC(=O)C1 527a_100000131268_100000210414 [0,1,0,1,0,0|1,0,0]=3 4050 B11R1.23 CCC(C)N1CCOC(=O)C1 2230a_100000131268_100000758301 [0,1,0,1,0,0|1,0,1]=4 4051 B11R1.23 CNC(=O)N1CCOC(=O)C1 2708a_100102657272_100000131268 [0,1,0,1,0,0|2,0,0]=4 4052 B11R1.23 O=C1CN(CCO1)C(=O)CO 240690a_100000131268_100000210174 [0,1,0,1,0,0|2,0,0]=4 4053 B11R1.23 O=C1CN(CCO1)C(=O)CO 527a_100000131268_100000210174 [0,1,0,1,0,0|2,0,0]=4 4054 B11R1.39 CCC(=O)CC1COC(=O)O1 1458a_100000210414_100000073702 [0,1,0,1,0,0|1,0,1]=4 4055 B11R1.39 CCC(=O)C[C@H]1COC(=O)N1 1458a_100000210414_100015307671 [0,1,0,1,0,0|1,0,1]=4 4056 B11R1.39 CCC(=O)NC1CNC(=O)C1 11a_100000697751_100000210414 [0,1,0,1,0,0|2,0,0]=4 4057 B11R1.39 CCC(=O)NC1CNC(=O)C1 1626a_100000697751_100000210414 [0,1,0,1,0,0|2,0,0]=4 4058 B11R1.39 CCC(=O)NC1CNC(=O)C1 240690a_100000697751_100000210414 [0,1,0,1,0,0|2,0,0]=4 4059 B11R1.39 CCC(=O)NC1CNC(=O)C1 527a_100000697751_100000210414 [0,1,0,1,0,0|2,0,0]=4 4060 B11R1.75 CC(=O)NC[C@H]1CCC(=O)N1 11a_100015423886_100015343762 [0,1,0,1,0,0|2,0,0]=4 4061 B11R1.75 CC(=O)NC[C@H]1CCC(=O)N1 1626a_100015423886_100015343762 [0,1,0,1,0,0|2,0,0]=4 4062 B11R1.75 CC(=O)NC[C@H]1CCC(=O)N1 240690a_100015423886_100015343762 [0,1,0,1,0,0|2,0,0]=4 4063 B11R1.75 CC(=O)NC[C@H]1CCC(=O)N1 527a_100015423886_100103153847 [0,1,0,1,0,0|2,0,0]=4 4064 B11R1.75 CC(=O)OCC1CCN(C1)C 2230a_100000118262_200000210301 [0,1,0,1,0,0|1,0,1]=4 4065 B11R1.75 CC(=O)OCC1CCN(C1)C 269982a_100000118262_200000210301 [0,1,0,1,0,0|1,0,1]=4 4066 B11R1.75 CC(=O)OCC1CCN(C1)[13CH3] 2230a_100000118262_200025704644 [0,1,0,1,0,0|1,0,1]=4 4067 B11R1.75 CC(=O)OCC1CCN(C1)[13CH3] 269982a_100000118262_200025704644 [0,1,0,1,0,0|1,0,1]=4 4068 B11R1.75 CC(C)OC[C@@H]1C=C[C@@H](C1)N 34a_100020646542_100000210206 [0,1,0,1,0,0|1,0,1]=4 4069 B11R1.159 CC(=O)N1CCNC(=O)C1C 11a_100000750721_100015343762 [0,1,0,1,0,0|2,0,0]=4 4070 B11R1.159 CC(=O)N1CCNC(=O)C1C 1626a_100000750721_100015343762 [0,1,0,1,0,0|2,0,0]=4 4071 B11R1.159 CC(=O)N1CCNC(=O)C1C 240690a_100000750721_100015343762 [0,1,0,1,0,0|2,0,0]=4 4072 B11R1.159 CC(=O)N1CCNC(=O)C1C 527a_100000750721_100103153847 [0,1,0,1,0,0|2,0,0]=4 4073 B11R1.237 CNC(=O)OCCNC1CC1 34a_100000212008_200011997002 [0,1,0,1,0,0|1,0,1]=4 4074 B11R1.237 CNC(=O)OCCSC1CC1 62a_200011997002_100000211595 [0,1,0,1,0,0|1,0,1]=4 4075 B11R1.237 COC(=O)OCCOC1CC1 34a_100010262106_100000211595 [0,1,0,1,0,0|1,0,1]=4 4076 B11R1.717 CC(=O)OCCOC1(CC1)C 7a_100011725673_100009814007 [0,1,0,1,0,0|1,0,1]=4 4077 B11R1.870 CCC(=O)[C@@H]1CCN1C(=O)C 1458a_200015362969_100000210202 [0,1,0,1,0,0|1,0,1]=4 4078 B11R1.40 C#CC(C)OC1CC=CCC1 34a_100000073881_200000035995 [0,1,0,1,0,0|1,0,1]=4 4079 B11R1.40 CC(CO)OC1CC=CCC1 34a_100000073881_100012180447 [0,1,0,1,0,0|0,0,2]=4 4080 B11R1.40 CCC(=O)CN1CC=CCC1 269982a_100000698166_100000747405 [0,1,0,1,0,0|2,0,0]=4 4081 B11R1.40 CCC(C)OC1CC=CCC1 34a_100000073881_100011215416 [0,1,0,1,0,0|1,0,1]=4 4082 B11R1.40 CNC(=O)CN1CC=CCC1 2230a_100000698166_100000183359 [0,1,0,1,0,0|2,0,0]=4 4083 B11R1.40 CNC(=O)CN1CC=CCC1 269982a_100000698166_100000183359 [0,1,0,1,0,0|2,0,0]=4 4084 B11R1.40 CNC(=O)CN1CC=CCC1 34a_100000698166_100000183359 [0,1,0,1,0,0|2,0,0]=4 4085 B11R1.40 COC(=O)CN1CC=CCC1 2230a_100000698166_100000747449 [0,1,0,1,0,0|2,0,0]=4 4086 B11R1.40 COC(=O)CN1CC=CCC1 269982a_100000698166_100000747449 [0,1,0,1,0,0|2,0,0]=4 4087 B11R1.40 COC(=O)CN1CC=CCC1 34a_100000698166_100000747449 [0,1,0,1,0,0|2,0,0]=4 4088 B11R1.47 CC/C=C\CCOC1CCC1 34a_100000748187_100015370543 [0,1,0,1,0,0|1,0,1]=4 4089 B11R1.47 CC/C=C\CCOC1CCC1 34a_100016288707_100000749161 [0,1,0,1,0,0|1,0,1]=4 4090 B11R1.47 CC/C=C\CCOC1COC1 34a_100016288707_100009818527 [0,1,0,1,0,0|0,0,2]=4 4091 B11R1.47 CC/C=C\CCOC1COC1 7a_100016288707_100009818527 [0,1,0,1,0,0|0,0,2]=4 4092 B11R1.47 CC/C=C\CCOC1CSC1 7a_100000072292_100015370543 [0,1,0,1,0,0|0,1,1]=4 4093 B11R1.190 CC/C=C\COC1CCC1=O 34a_100016268518_100009892977 [0,1,0,1,0,0|2,0,0]=4 4094 B11R1.190 CC/C=C\CSC1CCC1=O 62a_100009892977_100103147603 [0,1,0,1,0,0|2,0,0]=4 4095 B11R1.190 CC/C=C\CSC1CCC1=O 62a_100103147603_100009892977 [0,1,0,1,0,0|2,0,0]=4 4096 B11R1.236 CNC(=O)OCCN1CCC1 269982a_100000754969_200011997002 [0,1,0,1,0,0|1,0,1]=4 4097 B11R1.852 CCC(=O)C1CCC=CCC1 1458a_100000048548_100000210202 [0,1,0,1,0,0|1,0,0]=3 4098 B11R1.852 CNC(=O)C1CCC=CCC1 11a_106832991635_100000048548 [0,1,0,1,0,0|1,0,0]=3 4099 B11R1.852 CNC(=O)C1CCC=CCC1 1626a_100102657272_100000048548 [0,1,0,1,0,0|1,0,0]=3 4100 B11R1.852 CNC(=O)C1CCC=CCC1 240690a_100102657272_100000048548 [0,1,0,1,0,0|1,0,0]=3 4101 B11R1.852 CNC(=O)C1CCC=CCC1 527a_100102657272_100000048548 [0,1,0,1,0,0|1,0,0]=3 4102 B11R1.852 O=C(CF)C1CCC=CCC1 1458a_100000048548_100015361967 [0,1,0,1,0,0|1,0,0]=3 4103 B11R1.36 CC(=O)C(C)N1CC=CCC1 2230a_100000698166_100009814033 [0,1,0,1,0,0|2,0,0]=4 4104 B11R1.36 CC(=O)C(C)N1CC=CCC1 269982a_100000698166_100009814033 [0,1,0,1,0,0|2,0,0]=4 4105 B11R2.238 C1=CCC(CC1)OC2CC2 34a_100000073881_100000211595 [0,0,0,2,0,0|1,0,1]=4 4106 B11R2.845 CC(=O)C1CC2C=CC1C2 1458a_100000211946_200000210301 [0,0,0,2,0,0|1,0,0]=3 4107 B11R2.845 CC(=O)N1CC2C=CC1C2 11a_100000732668_100015343762 [0,0,0,2,0,0|1,0,0]=3 4108 B11R2.845 CC(=O)N1CC2C=CC1C2 240690a_100000732668_100015343762 [0,0,0,2,0,0|1,0,0]=3 4109 B11R2.845 CC(=O)N1CC2C=CC1C2 527a_100000732668_100103153847 [0,0,0,2,0,0|1,0,0]=3 4110 B11R2.845 [13CH3]C(=O)C1CC2C=CC1C2 1458a_100000211946_200025704644 [0,0,0,2,0,0|1,0,0]=3