0 B8R0.7 C#CCCCCC(=O)C 1458a_100000070787_100010269958 [0,0,0,0,0,0|2,0,1]=3 1 B8R0.7 C#CCCCCC(=O)C 1458a_100000696528_200000210301 [0,0,0,0,0,0|2,0,1]=3 2 B8R0.7 C#CCCCCC(=O)[13CH3] 1458a_100000696528_200025704644 [0,0,0,0,0,0|2,0,1]=3 3 B8R0.7 C#CCCCNC(=O)C 11a_100000718082_100015343762 [0,0,0,0,0,0|2,0,1]=3 4 B8R0.7 C#CCCCNC(=O)C 1626a_100000718082_100015343762 [0,0,0,0,0,0|2,0,1]=3 5 B8R0.7 C#CCCCNC(=O)C 240690a_100000718082_100015343762 [0,0,0,0,0,0|2,0,1]=3 6 B8R0.7 C#CCCCNC(=O)C 527a_100000718082_100103153847 [0,0,0,0,0,0|2,0,1]=3 7 B8R0.7 C#CCCCOC(C)C 34a_100000212225_100000695029 [0,0,0,0,0,0|2,0,2]=4 8 B8R0.7 C#CCCCOC(C)C 34a_100000215630_100000210206 [0,0,0,0,0,0|2,0,2]=4 9 B8R0.7 C#CCCCOC(C)C 7a_100000215630_100000210206 [0,0,0,0,0,0|2,0,2]=4 10 B8R0.7 C#CCCOCC(=O)C 34a_100000211253_100000688953 [0,0,0,0,0,0|3,0,1]=4 11 B8R0.7 C#CCNCOC(=O)C 34a_100000212058_100009813279 [0,0,0,0,0,0|2,0,1]=3 12 B8R0.7 C#CCOCCC(=O)C 1458a_100000070787_100010402529 [0,0,0,0,0,0|3,0,1]=4 13 B8R0.7 C#CCOCCC(=O)C 1458a_100000693358_200000210301 [0,0,0,0,0,0|3,0,1]=4 14 B8R0.7 C#CCOCCC(=O)C 34a_100000759926_100000184674 [0,0,0,0,0,0|3,0,1]=4 15 B8R0.7 C#CCOCCC(=O)C 7a_100000759926_100000038162 [0,0,0,0,0,0|3,0,1]=4 16 B8R0.7 C#CCOCCC(=O)[13CH3] 1458a_100000693358_200025704644 [0,0,0,0,0,0|3,0,1]=4 17 B8R0.7 C#CCOCOC(=O)C 34a_100000210247_100009813279 [0,0,0,0,0,0|2,0,1]=3 18 B8R0.7 C#CCSCCC(=O)C 62a_100000038162_100000053229 [0,0,0,0,0,0|3,0,1]=4 19 B8R0.7 C#CCSCOC(=O)C 62a_100000038162_100000076356 [0,0,0,0,0,0|2,0,1]=3 20 B8R0.7 C/C=C/CCOC(C)C 34a_100016278192_100000210206 [0,0,0,0,0,0|2,0,2]=4 21 B8R0.7 C/C=C/COCC(=O)C 34a_100000211253_100102629194 [0,0,0,0,0,0|3,0,1]=4 22 B8R0.7 C=C(Br)CCOCSC 34a_100009813270_100011218213 [0,0,0,0,0,0|3,0,1]=4 23 B8R0.7 C=C(C)CCOCCC 34a_100000210258_100000730704 [0,0,0,0,0,0|4,0,0]=4 24 B8R0.7 C=C(C)CCOCCC 34a_100000764851_100000210303 [0,0,0,0,0,0|4,0,0]=4 25 B8R0.7 C=C(C)CCOCSC 34a_100000764851_100011218213 [0,0,0,0,0,0|3,0,0]=3 26 B8R0.7 C=C(C)CCSCCC 62a_100000210303_100000730704 [0,0,0,0,0,0|4,0,0]=4 27 B8R0.7 C=C(C)CCSCCC 62a_100000730704_100000210303 [0,0,0,0,0,0|4,0,0]=4 28 B8R0.7 C=C(C)CCSCOC 62a_100000730704_100000766300 [0,0,0,0,0,0|3,1,0]=4 29 B8R0.7 C=C(C)CCSCOC 62a_100000766300_100000730704 [0,0,0,0,0,0|3,1,0]=4 30 B8R0.7 C=C(C)CCSCSC 62a_100000730704_100011218213 [0,0,0,0,0,0|3,0,0]=3 31 B8R0.7 C=C(C)CCSCSC 62a_100011218213_100000730704 [0,0,0,0,0,0|3,0,0]=3 32 B8R0.7 C=C(C)CNCCCC 2230a_100000102301_100000748629 [0,0,0,0,0,0|4,0,0]=4 33 B8R0.7 C=C(C)CNCCCC 7a_106832991798_100000748629 [0,0,0,0,0,0|4,0,0]=4 34 B8R0.7 C=C(C)CNCCOC 2230a_100000209980_100000748629 [0,0,0,0,0,0|3,1,0]=4 35 B8R0.7 C=C(C)CNCCSC 2230a_100020590264_100000748629 [0,0,0,0,0,0|3,0,0]=3 36 B8R0.7 C=C(C)COCCCC 34a_100000210227_100000748629 [0,0,0,0,0,0|4,0,0]=4 37 B8R0.7 C=C(C)COCCCC 34a_100000210245_100000210210 [0,0,0,0,0,0|4,0,0]=4 38 B8R0.7 C=C(C)COCCCC 7a_100000210227_100000748629 [0,0,0,0,0,0|4,0,0]=4 39 B8R0.7 C=C(C)COCCOC 34a_100000210237_100000748629 [0,0,0,0,0,0|3,1,0]=4 40 B8R0.7 C=C(C)COCCOC 34a_100000210245_100011201679 [0,0,0,0,0,0|3,1,0]=4 41 B8R0.7 C=C(C)COCCSC 34a_100000210245_100000212216 [0,0,0,0,0,0|3,0,0]=3 42 B8R0.7 C=C(C)COCCSC 34a_100000230434_100000748629 [0,0,0,0,0,0|3,0,0]=3 43 B8R0.7 C=C(C)COCCSC 7a_100000230434_100000748629 [0,0,0,0,0,0|3,0,0]=3 44 B8R0.7 C=C(C)CSCCCC 62a_100000210211_100000211660 [0,0,0,0,0,0|4,0,0]=4 45 B8R0.7 C=C(C)CSCCCC 62a_100000748629_100000210210 [0,0,0,0,0,0|4,0,0]=4 46 B8R0.7 C=C(C)CSCCOC 62a_100000233755_100000211660 [0,0,0,0,0,0|3,1,0]=4 47 B8R0.7 C=C(C)CSCCOC 62a_100000748629_100000233755 [0,0,0,0,0,0|3,1,0]=4 48 B8R0.7 C=C(C)CSCCSC 62a_100000212216_100000211660 [0,0,0,0,0,0|3,0,0]=3 49 B8R0.7 C=C(C)CSCCSC 62a_100000748629_100000751147 [0,0,0,0,0,0|3,0,0]=3 50 B8R0.7 C=C(F)CNCCSC 2230a_100020590264_100009893438 [0,0,0,0,0,0|3,0,1]=4 51 B8R0.7 C=C(F)COCCSC 34a_100000230434_100009893438 [0,0,0,0,0,0|3,0,1]=4 52 B8R0.7 C=C(F)COCCSC 34a_200010262243_100000212216 [0,0,0,0,0,0|3,0,1]=4 53 B8R0.7 C=C(F)COCCSC 7a_100000230434_100000042424 [0,0,0,0,0,0|3,0,1]=4 54 B8R0.7 C=C(F)CSCCSC 62a_100000042424_100000751147 [0,0,0,0,0,0|3,0,1]=4 55 B8R0.7 C=C(F)CSCCSC 62a_100000212216_100000042424 [0,0,0,0,0,0|3,0,1]=4 56 B8R0.7 C=CCCCCC(=O)C 1458a_100000070787_100011215482 [0,0,0,0,0,0|2,0,1]=3 57 B8R0.7 C=CCCCCC(=O)C 1458a_100011215552_200000210301 [0,0,0,0,0,0|2,0,1]=3 58 B8R0.7 C=CCCCCC(=O)[13CH3] 1458a_100011215552_200025704644 [0,0,0,0,0,0|2,0,1]=3 59 B8R0.7 C=CCCCNC(=O)C 11a_100000700776_100015343762 [0,0,0,0,0,0|2,0,1]=3 60 B8R0.7 C=CCCCNC(=O)C 1626a_100000700776_100015343762 [0,0,0,0,0,0|2,0,1]=3 61 B8R0.7 C=CCCCNC(=O)C 240690a_100000700776_100015343762 [0,0,0,0,0,0|2,0,1]=3 62 B8R0.7 C=CCCCNC(=O)C 527a_100000700776_100103153847 [0,0,0,0,0,0|2,0,1]=3 63 B8R0.7 C=CCCCOC(C)C 34a_100000212225_100000757094 [0,0,0,0,0,0|2,0,2]=4 64 B8R0.7 C=CCCCOC(C)C 34a_100000758997_100000210206 [0,0,0,0,0,0|2,0,2]=4 65 B8R0.7 C=CCCCOC(C)C 7a_100000758997_100000210206 [0,0,0,0,0,0|2,0,2]=4 66 B8R0.7 C=CCCOCC(=O)C 34a_100000211253_100000754431 [0,0,0,0,0,0|3,0,1]=4 67 B8R0.7 C=CCOCCC(=O)C 1458a_200011217002_200000210301 [0,0,0,0,0,0|3,0,1]=4 68 B8R0.7 C=CCOCCC(=O)C 34a_100000759926_100015514636 [0,0,0,0,0,0|3,0,1]=4 69 B8R0.7 C=CCOCCC(=O)C 7a_100000759926_100015514636 [0,0,0,0,0,0|3,0,1]=4 70 B8R0.7 C=CCOCCC(=O)[13CH3] 1458a_200011217002_200025704644 [0,0,0,0,0,0|3,0,1]=4 71 B8R0.7 C=CCOCOC(=O)C 34a_200000210373_100009813279 [0,0,0,0,0,0|2,0,1]=3 72 B8R0.7 C=CCSCCC(=O)C 62a_100000053229_100000210623 [0,0,0,0,0,0|3,0,1]=4 73 B8R0.7 C=CCSCCC(=O)C 62a_100000210623_100000053229 [0,0,0,0,0,0|3,0,1]=4 74 B8R0.7 C=CCSCOC(=O)C 62a_100000076356_100000210623 [0,0,0,0,0,0|2,0,1]=3 75 B8R0.7 C=CCSCOC(=O)C 62a_100000210623_100000076356 [0,0,0,0,0,0|2,0,1]=3 76 B8R0.7 CC#CCCOC(C)C 34a_100000750427_100000210206 [0,0,0,0,0,0|2,0,2]=4 77 B8R0.7 CC#CCOCC(=O)C 34a_100000211253_100000748600 [0,0,0,0,0,0|3,0,1]=4 78 B8R0.7 CC(=O)CCCCC#N 1458a_100000070787_100000211819 [0,0,0,0,0,0|3,0,0]=3 79 B8R0.7 CC(=O)CCCCCF 1458a_100000070787_100000729378 [0,0,0,0,0,0|3,0,0]=3 80 B8R0.7 CC(=O)CCCCCO 1458a_100000070787_100000746330 [0,0,0,0,0,0|3,0,0]=3 81 B8R0.7 CC(=O)CCCCCO 1458a_100102619762_200000210301 [0,0,0,0,0,0|3,0,0]=3 82 B8R0.7 CC(=O)CCCCS[13CH3] 62a_100000735457_200025704644 [0,0,0,0,0,0|1,0,0]=1 83 B8R0.7 CC(=O)CCCCS[13CH3] 62a_200025704644_100000735457 [0,0,0,0,0,0|1,0,0]=1 84 B8R0.7 CC(=O)CCCN=[N+]=[N-] 1458a_100010262590_200000210301 [0,0,0,0,0,0|4,0,0]=4 85 B8R0.7 CC(=O)CCCOCF 34a_100000759063_100015361967 [0,0,0,0,0,0|4,0,0]=4 86 B8R0.7 CC(=O)CCCOCF 7a_100000759063_100015361967 [0,0,0,0,0,0|4,0,0]=4 87 B8R0.7 CC(=O)CCCSCF 62a_100011215641_100015361967 [0,0,0,0,0,0|4,0,0]=4 88 B8R0.7 CC(=O)CCCSCF 62a_100015361967_100011215641 [0,0,0,0,0,0|4,0,0]=4 89 B8R0.7 CC(=O)CCOCC#N 1458a_100000070787_200000047693 [0,0,0,0,0,0|4,0,0]=4 90 B8R0.7 CC(=O)CCOCC#N 7a_100000759926_100011215382 [0,0,0,0,0,0|4,0,0]=4 91 B8R0.7 CC(=O)CCOCC=O 34a_100000759926_200009817547 [0,0,0,0,0,0|4,0,0]=4 92 B8R0.7 CC(=O)CCOCC=O 7a_100000759926_200015260668 [0,0,0,0,0,0|4,0,0]=4 93 B8R0.7 CC(=O)CCOCCF 34a_100000759926_100011217306 [0,0,0,0,0,0|4,0,0]=4 94 B8R0.7 CC(=O)CCOCCF 7a_100000759926_100011217306 [0,0,0,0,0,0|4,0,0]=4 95 B8R0.7 CC(=O)CCOCCO 1458a_100000070787_100011215305 [0,0,0,0,0,0|4,0,0]=4 96 B8R0.7 CC(=O)CCOCCO 1458a_100011229844_200000210301 [0,0,0,0,0,0|4,0,0]=4 97 B8R0.7 CC(=O)CCOCCO 34a_100000759926_100000211926 [0,0,0,0,0,0|4,0,0]=4 98 B8R0.7 CC(=O)CCOCCO 7a_100000759926_100000211926 [0,0,0,0,0,0|4,0,0]=4 99 B8R0.7 CC(=O)CCSCC#N 62a_100000053229_100011215382 [0,0,0,0,0,0|4,0,0]=4 100 B8R0.7 CC(=O)CCSCC#N 62a_100011215382_100000053229 [0,0,0,0,0,0|4,0,0]=4 101 B8R0.7 CC(=O)CCSCC=O 62a_100000053229_200015260668 [0,0,0,0,0,0|4,0,0]=4 102 B8R0.7 CC(=O)CCSCC=O 62a_200015260668_100000053229 [0,0,0,0,0,0|4,0,0]=4 103 B8R0.7 CC(=O)CCSCCF 62a_100000053229_100011217306 [0,0,0,0,0,0|4,0,0]=4 104 B8R0.7 CC(=O)CCSCCF 62a_100011217306_100000053229 [0,0,0,0,0,0|4,0,0]=4 105 B8R0.7 CC(=O)CCSCCO 62a_100000053229_100000211926 [0,0,0,0,0,0|4,0,0]=4 106 B8R0.7 CC(=O)CCSCCO 62a_100000211926_100000053229 [0,0,0,0,0,0|4,0,0]=4 107 B8R0.7 CC(=O)COCCCF 34a_100000211253_100011934791 [0,0,0,0,0,0|4,0,0]=4 108 B8R0.7 CC(=O)COCCCO 34a_100000211253_100000230001 [0,0,0,0,0,0|4,0,0]=4 109 B8R0.7 CC(=O)NCCCCO 240690a_100000750430_100015343762 [0,0,0,0,0,0|3,0,0]=3 110 B8R0.7 CC(=O)NCCCCO 527a_100000750430_100103153847 [0,0,0,0,0,0|3,0,0]=3 111 B8R0.7 CC(=O)NCCCN[13CH3] 34a_100000736810_200025704644 [0,0,0,0,0,0|2,0,0]=2 112 B8R0.7 CC(=O)NCCCO[13CH3] 34a_100000752032_200025704644 [0,0,0,0,0,0|1,1,0]=2 113 B8R0.7 CC(=O)NCCOCF 34a_100000158858_100015361967 [0,0,0,0,0,0|4,0,0]=4 114 B8R0.7 CC(=O)NCCSCF 62a_100000189650_100015361967 [0,0,0,0,0,0|4,0,0]=4 115 B8R0.7 CC(=O)NCCSCF 62a_100015361967_100000189650 [0,0,0,0,0,0|4,0,0]=4 116 B8R0.7 CC(=O)NNCCC#N 22a_100000229987_100000070787 [0,0,0,0,0,0|4,0,0]=4 117 B8R0.7 CC(=O)OCCCS[13CH3] 62a_100000042594_200025704644 [0,0,0,0,0,0|0,0,0]=0 118 B8R0.7 CC(=O)OCCCS[13CH3] 62a_200025704644_100000042594 [0,0,0,0,0,0|0,0,0]=0 119 B8R0.7 CC(=O)OCCSCF 62a_100009814007_100015361967 [0,0,0,0,0,0|3,0,0]=3 120 B8R0.7 CC(=O)OCCSCF 62a_100015361967_100009814007 [0,0,0,0,0,0|3,0,0]=3 121 B8R0.7 CC(=O)OCNCCF 34a_100000724931_100009813279 [0,0,0,0,0,0|3,0,0]=3 122 B8R0.7 CC(=O)OCNCCO 34a_100016990907_100009813279 [0,0,0,0,0,0|3,0,0]=3 123 B8R0.7 CC(=O)OCOCCBr 34a_100000211926_100009813279 [0,0,0,0,0,0|3,0,0]=3 124 B8R0.7 CC(=O)OCOCCN 34a_100000210304_100009813279 [0,0,0,0,0,0|3,0,0]=3 125 B8R0.7 CC(=O)OCSCC#N 62a_100000076356_100011215382 [0,0,0,0,0,0|3,0,0]=3 126 B8R0.7 CC(=O)OCSCC#N 62a_100011215382_100000076356 [0,0,0,0,0,0|3,0,0]=3 127 B8R0.7 CC(=O)OCSCC=O 62a_100000076356_200015260668 [0,0,0,0,0,0|3,0,0]=3 128 B8R0.7 CC(=O)OCSCC=O 62a_200015260668_100000076356 [0,0,0,0,0,0|3,0,0]=3 129 B8R0.7 CC(=O)OCSCCF 62a_100000076356_100011217306 [0,0,0,0,0,0|3,0,0]=3 130 B8R0.7 CC(=O)OCSCCF 62a_100011217306_100000076356 [0,0,0,0,0,0|3,0,0]=3 131 B8R0.7 CC(=O)OCSCCO 62a_100000076356_100000211926 [0,0,0,0,0,0|3,0,0]=3 132 B8R0.7 CC(=O)OCSCCO 62a_100000211926_100000076356 [0,0,0,0,0,0|3,0,0]=3 133 B8R0.7 CC(=O)SCCCS[13CH3] 62a_100000038929_200025704644 [0,0,0,0,0,0|0,1,0]=1 134 B8R0.7 CC(=O)SCCCS[13CH3] 62a_200025704644_100000038929 [0,0,0,0,0,0|0,1,0]=1 135 B8R0.7 CC(=S)OCCCS[13CH3] 62a_200025704644_200135323944 [0,0,0,0,0,0|0,1,0]=1 136 B8R0.7 CC(=S)OCCCS[13CH3] 62a_200135323944_200025704644 [0,0,0,0,0,0|0,1,0]=1 137 B8R0.7 CC(C)CCCCO[13CH3] 34a_100011214890_200025704644 [0,0,0,0,0,0|2,1,1]=4 138 B8R0.7 CC(C)CCCCO[13CH3] 7a_100011214890_200025704644 [0,0,0,0,0,0|2,1,1]=4 139 B8R0.7 CC(C)CCCCS[13CH3] 62a_100011216152_200025704644 [0,0,0,0,0,0|2,0,1]=3 140 B8R0.7 CC(C)CCCCS[13CH3] 62a_200025704644_100011216152 [0,0,0,0,0,0|2,0,1]=3 141 B8R0.7 CC(C)NCCCO[13CH3] 34a_100000182298_200025704644 [0,0,0,0,0,0|2,1,1]=4 142 B8R0.7 CC(C)OCCCCBr 34a_100011216708_100000210206 [0,0,0,0,0,0|3,0,1]=4 143 B8R0.7 CC(C)OCCCCCl 34a_100000210776_100000210206 [0,0,0,0,0,0|3,0,1]=4 144 B8R0.7 CC(C)OCCCCCl 7a_100000210776_100000210206 [0,0,0,0,0,0|3,0,1]=4 145 B8R0.7 CC(C)OCCCCF 34a_100000212225_100000729493 [0,0,0,0,0,0|3,0,1]=4 146 B8R0.7 CC(C)OCCCCF 34a_100011995726_100000210206 [0,0,0,0,0,0|3,0,1]=4 147 B8R0.7 CC(C)OCCCCF 7a_100011995726_100000210206 [0,0,0,0,0,0|3,0,1]=4 148 B8R0.7 CC(C)OCCCCI 34a_200012148704_100000210206 [0,0,0,0,0,0|3,0,1]=4 149 B8R0.7 CC(C)OCCCCN 34a_100000750430_100000210206 [0,0,0,0,0,0|3,0,1]=4 150 B8R0.7 CC(C)OCCCCO 34a_100000212225_100011216708 [0,0,0,0,0,0|3,0,1]=4 151 B8R0.7 CC(C)OCCCN[13CH3] 2230a_100000737246_200025704644 [0,0,0,0,0,0|2,0,1]=3 152 B8R0.7 CC(C)OCCCN[13CH3] 34a_100000737246_200025704644 [0,0,0,0,0,0|2,0,1]=3 153 B8R0.7 CC/C=C\CCC(=O)C 1458a_100000070787_100015370543 [0,0,0,0,0,0|2,0,2]=4 154 B8R0.7 CC=CCOCC(=O)C 34a_100000211253_100000070051 [0,0,0,0,0,0|3,0,1]=4 155 B8R0.7 CCC/C=C/CC(=O)C 1458a_200016266809_200000210301 [0,0,0,0,0,0|2,0,2]=4 156 B8R0.7 CCC/C=C/CC(=O)[13CH3] 1458a_200016266809_200025704644 [0,0,0,0,0,0|2,0,2]=4 157 B8R0.7 CCCC=NNC(=O)C 4a_100000189765_100000185831 [0,0,0,0,0,0|3,0,1]=4 158 B8R0.7 CCCCC=CC(=O)C 1458a_100016266645_200000210301 [0,0,0,0,0,0|2,0,1]=3 159 B8R0.7 CCCCC=CC(=O)[13CH3] 1458a_100016266645_200025704644 [0,0,0,0,0,0|2,0,1]=3 160 B8R0.7 CCCCCCC(=O)C 1458a_100000070787_100000210757 [0,0,0,0,0,0|2,0,0]=2 161 B8R0.7 CCCCCCC(=O)C 1458a_100102632555_200000210301 [0,0,0,0,0,0|2,0,0]=2 162 B8R0.7 CCCCCCC(=O)[13CH3] 1458a_100102632555_200025704644 [0,0,0,0,0,0|2,0,0]=2 163 B8R0.7 CCCCCCN(C)C 2230a_100102631434_100000210314 [0,0,0,0,0,0|4,0,0]=4 164 B8R0.7 CCCCCCN(C)C 2230a_106256046315_200000210301 [0,0,0,0,0,0|4,0,0]=4 165 B8R0.7 CCCCCCN(C)C 269982a_100102631434_100000210757 [0,0,0,0,0,0|4,0,0]=4 166 B8R0.7 CCCCCCN(C)C 269982a_106256046315_200000210301 [0,0,0,0,0,0|4,0,0]=4 167 B8R0.7 CCCCCCN(C)[13CH3] 2230a_106256046315_200025704644 [0,0,0,0,0,0|4,0,0]=4 168 B8R0.7 CCCCCCN(C)[13CH3] 269982a_106256046315_200025704644 [0,0,0,0,0,0|4,0,0]=4 169 B8R0.7 CCCCCNC(=O)C 11a_100000209983_100015343762 [0,0,0,0,0,0|2,0,0]=2 170 B8R0.7 CCCCCNC(=O)C 1626a_100000209983_100015343762 [0,0,0,0,0,0|2,0,0]=2 171 B8R0.7 CCCCCNC(=O)C 240690a_100000209983_100015343762 [0,0,0,0,0,0|2,0,0]=2 172 B8R0.7 CCCCCNC(=O)C 527a_100000209983_100103153847 [0,0,0,0,0,0|2,0,0]=2 173 B8R0.7 CCCCCNC(C)C 2230a_100000209983_100000210206 [0,0,0,0,0,0|3,0,1]=4 174 B8R0.7 CCCCCNC(C)C 2230a_100138425928_100000210326 [0,0,0,0,0,0|3,0,1]=4 175 B8R0.7 CCCCCNC(C)C 34a_100138425928_100000718602 [0,0,0,0,0,0|3,0,1]=4 176 B8R0.7 CCCCCOC(C)C 34a_100000210253_100000210206 [0,0,0,0,0,0|2,0,1]=3 177 B8R0.7 CCCCCOC(C)C 34a_100000212225_100000718602 [0,0,0,0,0,0|2,0,1]=3 178 B8R0.7 CCCCCOC(C)C 7a_100000210253_100000210206 [0,0,0,0,0,0|2,0,1]=3 179 B8R0.7 CCCCCSC(C)C 62a_100000210206_100000210326 [0,0,0,0,0,0|2,1,1]=4 180 B8R0.7 CCCCCSC(C)C 62a_100000210326_100000210206 [0,0,0,0,0,0|2,1,1]=4 181 B8R0.7 CCCCNCC(=O)N 2230a_100000102301_100000747473 [0,0,0,0,0,0|4,0,0]=4 182 B8R0.7 CCCCNCC(=O)N 2230a_100000711301_100000210211 [0,0,0,0,0,0|4,0,0]=4 183 B8R0.7 CCCCNCC(=O)N 7a_106832991798_100000187820 [0,0,0,0,0,0|4,0,0]=4 184 B8R0.7 CCCCNCC(=O)O 269956a_100016091260_100000210211 [0,0,0,0,0,0|4,0,0]=4 185 B8R0.7 CCCCNNC(=O)C 22a_100025702795_100000070787 [0,0,0,0,0,0|3,0,0]=3 186 B8R0.7 CCCCOCC(=O)C 1458a_100000070787_100011995733 [0,0,0,0,0,0|3,0,0]=3 187 B8R0.7 CCCCOCC(=O)C 1458a_100000757543_200000210301 [0,0,0,0,0,0|3,0,0]=3 188 B8R0.7 CCCCOCC(=O)C 34a_100000211253_100000210210 [0,0,0,0,0,0|3,0,0]=3 189 B8R0.7 CCCCOCC(=O)N 34a_100000210227_100000187820 [0,0,0,0,0,0|4,0,0]=4 190 B8R0.7 CCCCOCC(=O)N 7a_100000210227_100000187820 [0,0,0,0,0,0|4,0,0]=4 191 B8R0.7 CCCCOCC(=O)[13CH3] 1458a_100000757543_200025704644 [0,0,0,0,0,0|3,0,0]=3 192 B8R0.7 CCCCOCC(=O)[O-] 34a_100000210227_100020667443 [0,0,0,0,0,0|4,0,0]=4 193 B8R0.7 CCCCSCC(=O)C 1458a_100000191162_200000210301 [0,0,0,0,0,0|3,0,0]=3 194 B8R0.7 CCCCSCC(=O)N 62a_100000210211_100000747473 [0,0,0,0,0,0|4,0,0]=4 195 B8R0.7 CCCCSCC(=O)N 62a_100000747473_100000210210 [0,0,0,0,0,0|4,0,0]=4 196 B8R0.7 CCCCSCC(=O)[13CH3] 1458a_100000191162_200025704644 [0,0,0,0,0,0|3,0,0]=3 197 B8R0.7 CCCCSCC(=O)[O-] 62a_100000210211_100020667443 [0,0,0,0,0,0|4,0,0]=4 198 B8R0.7 CCCCSCC(=O)[O-] 62a_100020667443_100000210210 [0,0,0,0,0,0|4,0,0]=4 199 B8R0.7 CCCNCC=C(C)C 34a_100000718196_100000210303 [0,0,0,0,0,0|4,0,0]=4 200 B8R0.7 CCCOCC=C(C)C 34a_100000210258_100000761012 [0,0,0,0,0,0|4,0,0]=4 201 B8R0.7 CCCOCC=C(C)C 34a_100000753907_100000210303 [0,0,0,0,0,0|4,0,0]=4 202 B8R0.7 CCCOCCC(=O)C 1458a_100000070787_100011215938 [0,0,0,0,0,0|3,0,0]=3 203 B8R0.7 CCCOCCC(=O)C 34a_100000759926_100000210303 [0,0,0,0,0,0|3,0,0]=3 204 B8R0.7 CCCOCCC(=O)C 7a_100000759926_100000210303 [0,0,0,0,0,0|3,0,0]=3 205 B8R0.7 CCCOCCC(=O)N 34a_100000210258_100000731001 [0,0,0,0,0,0|4,0,0]=4 206 B8R0.7 CCCOCCC(=O)N 34a_100000757172_100000210303 [0,0,0,0,0,0|4,0,0]=4 207 B8R0.7 CCCOCCC(=O)N 7a_100000757172_100000210303 [0,0,0,0,0,0|4,0,0]=4 208 B8R0.7 CCCOCOC(=O)C 34a_100000210258_100009813279 [0,0,0,0,0,0|2,0,0]=2 209 B8R0.7 CCCOCOC(C)C 34a_100000210258_100000709892 [0,0,0,0,0,0|3,0,1]=4 210 B8R0.7 CCCSCC=C(C)C 62a_100000210303_100000761012 [0,0,0,0,0,0|4,0,0]=4 211 B8R0.7 CCCSCC=C(C)C 62a_100000761012_100000210303 [0,0,0,0,0,0|4,0,0]=4 212 B8R0.7 CCCSCCC(=O)C 62a_100000053229_100000210303 [0,0,0,0,0,0|3,0,0]=3 213 B8R0.7 CCCSCCC(=O)C 62a_100000210303_100000053229 [0,0,0,0,0,0|3,0,0]=3 214 B8R0.7 CCCSCCC(=O)N 62a_100000210303_100000744528 [0,0,0,0,0,0|4,0,0]=4 215 B8R0.7 CCCSCCC(=O)N 62a_100000744528_100000210303 [0,0,0,0,0,0|4,0,0]=4 216 B8R0.7 CCCSCOC(=O)C 62a_100000076356_100000210303 [0,0,0,0,0,0|2,0,0]=2 217 B8R0.7 CCCSCOC(=O)C 62a_100000210303_100000076356 [0,0,0,0,0,0|2,0,0]=2 218 B8R0.7 CCCSCOC(C)C 62a_100000210303_100000709892 [0,0,0,0,0,0|3,0,1]=4 219 B8R0.7 CCCSCOC(C)C 62a_100000709892_100000210303 [0,0,0,0,0,0|3,0,1]=4 220 B8R0.7 CCNCCC=C(C)C 2230a_100015525214_100011217483 [0,0,0,0,0,0|4,0,0]=4 221 B8R0.7 CCNCCCC(=O)N 34a_100000739312_100000210202 [0,0,0,0,0,0|4,0,0]=4 222 B8R0.7 CCNCCCS(=O)C 2230a_200000753449_100000210202 [0,0,0,0,0,0|4,0,0]=4 223 B8R0.7 CCNCCNC(=O)C 2230a_100000209853_100000210202 [0,0,0,0,0,0|3,0,0]=3 224 B8R0.7 CCNCCNC(=O)C 2230a_100015525214_100000189650 [0,0,0,0,0,0|3,0,0]=3 225 B8R0.7 CCNCCNC(=O)N 2230a_100015525214_200000034859 [0,0,0,0,0,0|4,0,0]=4 226 B8R0.7 CCNCCNC(=O)N 34a_100020590234_100000210202 [0,0,0,0,0,0|4,0,0]=4 227 B8R0.7 CCNCCOC(C)C 2230a_100000701111_100000210202 [0,0,0,0,0,0|3,0,1]=4 228 B8R0.7 CCNCCOC(C)C 2230a_100015525214_100000211751 [0,0,0,0,0,0|3,0,1]=4 229 B8R0.7 CCNCCOC(C)C 34a_100000701111_100000210202 [0,0,0,0,0,0|3,0,1]=4 230 B8R0.7 CCOCCC=C(C)C 34a_100121572206_100011217483 [0,0,0,0,0,0|4,0,0]=4 231 B8R0.7 CCOCCCC(=O)C 1458a_100000070787_100012232248 [0,0,0,0,0,0|3,0,0]=3 232 B8R0.7 CCOCCCC(=O)C 34a_100000759063_100000210202 [0,0,0,0,0,0|3,0,0]=3 233 B8R0.7 CCOCCCC(=O)C 34a_100121572206_100000685027 [0,0,0,0,0,0|3,0,0]=3 234 B8R0.7 CCOCCCC(=O)C 7a_100000759063_100000210202 [0,0,0,0,0,0|3,0,0]=3 235 B8R0.7 CCOCCCC(=O)N 34a_100121572206_100102525003 [0,0,0,0,0,0|4,0,0]=4 236 B8R0.7 CCOCCNC(=O)C 11a_100011200944_100015343762 [0,0,0,0,0,0|3,0,0]=3 237 B8R0.7 CCOCCNC(=O)C 1626a_102516460346_100015343762 [0,0,0,0,0,0|3,0,0]=3 238 B8R0.7 CCOCCNC(=O)C 240690a_100011200944_100015343762 [0,0,0,0,0,0|3,0,0]=3 239 B8R0.7 CCOCCNC(=O)C 34a_100000158858_100000210202 [0,0,0,0,0,0|3,0,0]=3 240 B8R0.7 CCOCCNC(=O)C 527a_100011200944_100103153847 [0,0,0,0,0,0|3,0,0]=3 241 B8R0.7 CCOCCNC(=O)N 34a_100000181757_100000210202 [0,0,0,0,0,0|4,0,0]=4 242 B8R0.7 CCOCCOC(=O)C 34a_100121572206_100009814007 [0,0,0,0,0,0|2,0,0]=2 243 B8R0.7 CCOCCOC(=O)N 34a_100121572206_200011214921 [0,0,0,0,0,0|3,0,0]=3 244 B8R0.7 CCOCCOC(=O)N 7a_100000766696_100000210202 [0,0,0,0,0,0|3,0,0]=3 245 B8R0.7 CCOCCOC(C)C 34a_100000210136_100000210206 [0,0,0,0,0,0|3,0,1]=4 246 B8R0.7 CCOCCOC(C)C 34a_100000211219_100000210202 [0,0,0,0,0,0|3,0,1]=4 247 B8R0.7 CCOCCOC(C)C 34a_100000212225_100000210147 [0,0,0,0,0,0|3,0,1]=4 248 B8R0.7 CCOCCOC(C)C 34a_100121572206_100000211751 [0,0,0,0,0,0|3,0,1]=4 249 B8R0.7 CCOCCOC(C)C 7a_100000210136_100000210206 [0,0,0,0,0,0|3,0,1]=4 250 B8R0.7 CCOCCOC(C)C 7a_100000211219_100000210202 [0,0,0,0,0,0|3,0,1]=4 251 B8R0.7 CCSCCC=C(C)C 62a_100000210202_100011217483 [0,0,0,0,0,0|4,0,0]=4 252 B8R0.7 CCSCCC=C(C)C 62a_100011217483_100000210202 [0,0,0,0,0,0|4,0,0]=4 253 B8R0.7 CCSCCCC(=O)C 62a_100000210202_100011215641 [0,0,0,0,0,0|3,0,0]=3 254 B8R0.7 CCSCCCC(=O)C 62a_100011215641_100000210202 [0,0,0,0,0,0|3,0,0]=3 255 B8R0.7 CCSCCCC(=O)N 62a_100000210202_100102525003 [0,0,0,0,0,0|4,0,0]=4 256 B8R0.7 CCSCCCC(=O)N 62a_100102525003_100000210202 [0,0,0,0,0,0|4,0,0]=4 257 B8R0.7 CCSCCNC(=O)C 11a_100000106463_100015343762 [0,0,0,0,0,0|3,0,0]=3 258 B8R0.7 CCSCCNC(=O)C 1626a_100000106463_100015343762 [0,0,0,0,0,0|3,0,0]=3 259 B8R0.7 CCSCCNC(=O)C 240690a_100000106463_100015343762 [0,0,0,0,0,0|3,0,0]=3 260 B8R0.7 CCSCCNC(=O)C 527a_100000106463_100103153847 [0,0,0,0,0,0|3,0,0]=3 261 B8R0.7 CCSCCNC(=O)C 62a_100000189650_100000210202 [0,0,0,0,0,0|3,0,0]=3 262 B8R0.7 CCSCCNC(=O)C 62a_100000210202_100000189650 [0,0,0,0,0,0|3,0,0]=3 263 B8R0.7 CCSCCNC(=O)N 62a_100000210202_200000034859 [0,0,0,0,0,0|4,0,0]=4 264 B8R0.7 CCSCCNC(=O)N 62a_200000034859_100000210202 [0,0,0,0,0,0|4,0,0]=4 265 B8R0.7 CCSCCOC(=O)C 62a_100000210202_100009814007 [0,0,0,0,0,0|2,0,0]=2 266 B8R0.7 CCSCCOC(=O)C 62a_100009814007_100000210202 [0,0,0,0,0,0|2,0,0]=2 267 B8R0.7 CCSCCOC(=O)N 62a_100000210202_200011214921 [0,0,0,0,0,0|3,0,0]=3 268 B8R0.7 CCSCCOC(=O)N 62a_200011214921_100000210202 [0,0,0,0,0,0|3,0,0]=3 269 B8R0.7 CCSCCOC(C)C 34a_100000212035_100000210206 [0,0,0,0,0,0|3,0,1]=4 270 B8R0.7 CCSCCOC(C)C 34a_100000212225_100000757381 [0,0,0,0,0,0|3,0,1]=4 271 B8R0.7 CCSCCOC(C)C 62a_100000210202_100000211751 [0,0,0,0,0,0|3,0,1]=4 272 B8R0.7 CCSCCOC(C)C 62a_100000211751_100000210202 [0,0,0,0,0,0|3,0,1]=4 273 B8R0.7 CCSCCOC(C)C 7a_100000212035_100000210206 [0,0,0,0,0,0|3,0,1]=4 274 B8R0.7 CN(C)CCCCS[13CH3] 62a_200025704644_100000690147 [0,0,0,0,0,0|3,0,0]=3 275 B8R0.7 CNCCCCC(=O)C 34a_100102657272_100009817362 [0,0,0,0,0,0|2,0,0]=2 276 B8R0.7 CNCCCCC(=O)C 7a_106832991635_100000735457 [0,0,0,0,0,0|2,0,0]=2 277 B8R0.7 CNCCCCC(=O)N 34a_100000696515_200000210301 [0,0,0,0,0,0|3,0,0]=3 278 B8R0.7 CNCCCCC(C)C 2230a_106832991635_100011216152 [0,0,0,0,0,0|3,0,1]=4 279 B8R0.7 CNCCCCC(C)C 34a_100102657272_100011216152 [0,0,0,0,0,0|3,0,1]=4 280 B8R0.7 CNCCCCC(C)C 7a_106832991635_100011216152 [0,0,0,0,0,0|3,0,1]=4 281 B8R0.7 CNCCCNC(=O)C 34a_100000736810_200000210301 [0,0,0,0,0,0|2,0,0]=2 282 B8R0.7 CNCCCOC(=O)C 34a_100102657272_100000042594 [0,0,0,0,0,0|1,0,0]=1 283 B8R0.7 CNCCCOC(=O)C 7a_106832991635_100000042594 [0,0,0,0,0,0|1,0,0]=1 284 B8R0.7 CNCCCOC(=S)C 2230a_106832991635_200135323944 [0,0,0,0,0,0|1,1,0]=2 285 B8R0.7 CNCCCOC(=S)C 34a_100102657272_200135323944 [0,0,0,0,0,0|1,1,0]=2 286 B8R0.7 CNCCCOC(=S)C 7a_106832991635_200135323944 [0,0,0,0,0,0|1,1,0]=2 287 B8R0.7 CNCCCOC(C)C 2230a_100000737246_200000210301 [0,0,0,0,0,0|2,0,1]=3 288 B8R0.7 CNCCCOC(C)C 34a_100000213112_100000210206 [0,0,0,0,0,0|2,0,1]=3 289 B8R0.7 CNCCCOC(C)C 34a_100000737246_200000210301 [0,0,0,0,0,0|2,0,1]=3 290 B8R0.7 CNCCCSC(=O)C 2230a_106832991635_100000038929 [0,0,0,0,0,0|1,1,0]=2 291 B8R0.7 CNCCCSC(=O)C 34a_100102657272_100000038929 [0,0,0,0,0,0|1,1,0]=2 292 B8R0.7 CNCCCSC(=O)C 7a_106832991635_100000038929 [0,0,0,0,0,0|1,1,0]=2 293 B8R0.7 CNCCOCC(=O)N 2230a_106832991635_100000076697 [0,0,0,0,0,0|4,0,0]=4 294 B8R0.7 CNCCOCC(=O)N 34a_100102657272_100000076697 [0,0,0,0,0,0|4,0,0]=4 295 B8R0.7 CNCCOCC(=O)N 7a_106832991635_100000076697 [0,0,0,0,0,0|4,0,0]=4 296 B8R0.7 CNCCOCC(=O)O 269956a_100000700818_200000210301 [0,0,0,0,0,0|4,0,0]=4 297 B8R0.7 COCCCCC(=O)C 1458a_100000070787_100000755781 [0,0,0,0,0,0|1,1,0]=2 298 B8R0.7 COCCCCC(=O)C 34a_100138415774_100009817362 [0,0,0,0,0,0|1,1,0]=2 299 B8R0.7 COCCCCC(=O)N 34a_100012022536_200000210301 [0,0,0,0,0,0|2,1,0]=3 300 B8R0.7 COCCCCC(=O)N 7a_100012022536_200000210301 [0,0,0,0,0,0|2,1,0]=3 301 B8R0.7 COCCCCC(C)C 34a_100011214890_200000210301 [0,0,0,0,0,0|2,1,1]=4 302 B8R0.7 COCCCCC(C)C 34a_100138415774_100011216152 [0,0,0,0,0,0|2,1,1]=4 303 B8R0.7 COCCCCC(C)C 7a_100011214890_200000210301 [0,0,0,0,0,0|2,1,1]=4 304 B8R0.7 COCCCCN(C)C 2230a_100102631434_100000730899 [0,0,0,0,0,0|3,1,0]=4 305 B8R0.7 COCCCCN(C)C 269982a_100102631434_100000730899 [0,0,0,0,0,0|3,1,0]=4 306 B8R0.7 COCCCC[N+](=O)[O-] 34a_200015379883_200000210301 [0,0,0,0,0,0|3,1,0]=4 307 B8R0.7 COCCCC[N+](=O)[O-] 7a_200015379883_200000210301 [0,0,0,0,0,0|3,1,0]=4 308 B8R0.7 COCCCNC(=O)C 1626a_100150723488_100015343762 [0,0,0,0,0,0|1,1,0]=2 309 B8R0.7 COCCCNC(=O)C 240690a_100150723488_100015343762 [0,0,0,0,0,0|1,1,0]=2 310 B8R0.7 COCCCNC(=O)C 34a_100000752032_200000210301 [0,0,0,0,0,0|1,1,0]=2 311 B8R0.7 COCCCNC(=O)C 527a_100150723488_100103153847 [0,0,0,0,0,0|1,1,0]=2 312 B8R0.7 COCCCNC(C)C 2230a_100138425928_100000740836 [0,0,0,0,0,0|2,1,1]=4 313 B8R0.7 COCCCNC(C)C 34a_100000182298_200000210301 [0,0,0,0,0,0|2,1,1]=4 314 B8R0.7 COCCCNC(C)C 34a_100138425928_100000740836 [0,0,0,0,0,0|2,1,1]=4 315 B8R0.7 COCCCNC(C)C 34a_100150723488_100000210206 [0,0,0,0,0,0|2,1,1]=4 316 B8R0.7 COCCCOC(=O)C 34a_100138415774_100000042594 [0,0,0,0,0,0|0,1,0]=1 317 B8R0.7 COCCCOC(=S)C 34a_100138415774_200135323944 [0,0,0,0,0,0|0,2,0]=2 318 B8R0.7 COCCCOC(C)C 34a_100000212225_100000740836 [0,0,0,0,0,0|1,1,1]=3 319 B8R0.7 COCCCOC(C)C 34a_100000740835_100000210206 [0,0,0,0,0,0|1,1,1]=3 320 B8R0.7 COCCCSC(=O)C 34a_100138415774_100000038929 [0,0,0,0,0,0|0,2,0]=2 321 B8R0.7 COCCCSC(C)C 62a_100000210206_100000709357 [0,0,0,0,0,0|1,2,1]=4 322 B8R0.7 COCCCSC(C)C 62a_100000709357_100000210206 [0,0,0,0,0,0|1,2,1]=4 323 B8R0.7 COCCNCC(=O)N 2230a_100000209980_100000747473 [0,0,0,0,0,0|3,1,0]=4 324 B8R0.7 COCCNCC(=O)N 2230a_100000711301_100011201679 [0,0,0,0,0,0|3,1,0]=4 325 B8R0.7 COCCNCC(=O)O 269956a_100016091260_100000233755 [0,0,0,0,0,0|3,1,0]=4 326 B8R0.7 COCCNNC(=O)C 22a_100000741390_100000070787 [0,0,0,0,0,0|2,1,0]=3 327 B8R0.7 COCCOCC(=O)C 1458a_100000211095_200000210301 [0,0,0,0,0,0|2,1,0]=3 328 B8R0.7 COCCOCC(=O)C 34a_100000211253_100011201679 [0,0,0,0,0,0|2,1,0]=3 329 B8R0.7 COCCOCC(=O)N 34a_100000210237_100000187820 [0,0,0,0,0,0|3,1,0]=4 330 B8R0.7 COCCOCC(=O)N 34a_100138415774_100000076697 [0,0,0,0,0,0|3,1,0]=4 331 B8R0.7 COCCOCC(=O)[13CH3] 1458a_100000211095_200025704644 [0,0,0,0,0,0|2,1,0]=3 332 B8R0.7 COCCOCC(=O)[O-] 34a_100000210237_100020667443 [0,0,0,0,0,0|3,1,0]=4 333 B8R0.7 COCCSCC(=O)N 62a_100000233755_100000747473 [0,0,0,0,0,0|3,1,0]=4 334 B8R0.7 COCCSCC(=O)N 62a_100000747473_100000233755 [0,0,0,0,0,0|3,1,0]=4 335 B8R0.7 COCCSCC(=O)[O-] 62a_100000233755_100020667443 [0,0,0,0,0,0|3,1,0]=4 336 B8R0.7 COCCSCC(=O)[O-] 62a_100020667443_100000233755 [0,0,0,0,0,0|3,1,0]=4 337 B8R0.7 COCSCC=C(C)C 62a_100000761012_100000766300 [0,0,0,0,0,0|3,1,0]=4 338 B8R0.7 COCSCC=C(C)C 62a_100000766300_100000761012 [0,0,0,0,0,0|3,1,0]=4 339 B8R0.7 COCSCCC(=O)C 62a_100000053229_100000766300 [0,0,0,0,0,0|2,1,0]=3 340 B8R0.7 COCSCCC(=O)C 62a_100000766300_100000053229 [0,0,0,0,0,0|2,1,0]=3 341 B8R0.7 COCSCCC(=O)N 62a_100000744528_100000766300 [0,0,0,0,0,0|3,1,0]=4 342 B8R0.7 COCSCCC(=O)N 62a_100000766300_100000744528 [0,0,0,0,0,0|3,1,0]=4 343 B8R0.7 COCSCOC(=O)C 62a_100000076356_100000766300 [0,0,0,0,0,0|1,1,0]=2 344 B8R0.7 COCSCOC(=O)C 62a_100000766300_100000076356 [0,0,0,0,0,0|1,1,0]=2 345 B8R0.7 COCSCOC(C)C 62a_100000709892_100000766300 [0,0,0,0,0,0|2,1,1]=4 346 B8R0.7 COCSCOC(C)C 62a_100000766300_100000709892 [0,0,0,0,0,0|2,1,1]=4 347 B8R0.7 CSCCCCB(O)O 62a_200000210301_200009817182 [0,0,0,0,0,0|3,0,1]=4 348 B8R0.7 CSCCCCB(O)O 62a_200009817182_200000210301 [0,0,0,0,0,0|3,0,1]=4 349 B8R0.7 CSCCCCC(=O)C 62a_100000735457_200000210301 [0,0,0,0,0,0|1,0,0]=1 350 B8R0.7 CSCCCCC(=O)C 62a_200000210301_100000735457 [0,0,0,0,0,0|1,0,0]=1 351 B8R0.7 CSCCCCC(C)C 62a_100011216152_200000210301 [0,0,0,0,0,0|2,0,1]=3 352 B8R0.7 CSCCCCC(C)C 62a_200000210301_100011216152 [0,0,0,0,0,0|2,0,1]=3 353 B8R0.7 CSCCCCN(C)C 62a_200000210301_100000690147 [0,0,0,0,0,0|3,0,0]=3 354 B8R0.7 CSCCCNC(=O)C 11a_100000749238_100015343762 [0,0,0,0,0,0|1,0,0]=1 355 B8R0.7 CSCCCNC(=O)C 1626a_100000749238_100015343762 [0,0,0,0,0,0|1,0,0]=1 356 B8R0.7 CSCCCNC(=O)C 240690a_100000749238_100015343762 [0,0,0,0,0,0|1,0,0]=1 357 B8R0.7 CSCCCNC(=O)C 527a_100000749238_100103153847 [0,0,0,0,0,0|1,0,0]=1 358 B8R0.7 CSCCCNC(C)C 2230a_100000749238_100000210206 [0,0,0,0,0,0|2,0,1]=3 359 B8R0.7 CSCCCOC(=O)C 62a_100000042594_200000210301 [0,0,0,0,0,0|0,0,0]=0 360 B8R0.7 CSCCCOC(=O)C 62a_200000210301_100000042594 [0,0,0,0,0,0|0,0,0]=0 361 B8R0.7 CSCCCOC(=S)C 62a_200000210301_200135323944 [0,0,0,0,0,0|0,1,0]=1 362 B8R0.7 CSCCCOC(=S)C 62a_200135323944_200000210301 [0,0,0,0,0,0|0,1,0]=1 363 B8R0.7 CSCCCOC(C)C 34a_100000690336_100000210206 [0,0,0,0,0,0|1,0,1]=2 364 B8R0.7 CSCCCOC(C)C 7a_100000690336_100000210206 [0,0,0,0,0,0|1,0,1]=2 365 B8R0.7 CSCCCSC(=O)C 62a_100000038929_200000210301 [0,0,0,0,0,0|0,1,0]=1 366 B8R0.7 CSCCCSC(=O)C 62a_200000210301_100000038929 [0,0,0,0,0,0|0,1,0]=1 367 B8R0.7 CSCCNCC(=O)N 2230a_100000711301_100000751147 [0,0,0,0,0,0|3,0,0]=3 368 B8R0.7 CSCCNCC(=O)N 2230a_100020590264_100000747473 [0,0,0,0,0,0|3,0,0]=3 369 B8R0.7 CSCCNCC(=O)O 269956a_100016091260_100000212216 [0,0,0,0,0,0|3,0,0]=3 370 B8R0.7 CSCCNCC(C)C 2230a_100000210953_100000751147 [0,0,0,0,0,0|3,0,1]=4 371 B8R0.7 CSCCNCC(C)C 2230a_100020590264_100000210760 [0,0,0,0,0,0|3,0,1]=4 372 B8R0.7 CSCCNCC(C)C 270004a_100020590264_100000210432 [0,0,0,0,0,0|3,0,1]=4 373 B8R0.7 CSCCNCC(C)C 34a_100000210953_100000212216 [0,0,0,0,0,0|3,0,1]=4 374 B8R0.7 CSCCNCC(C)O 2230a_100000210904_100000751147 [0,0,0,0,0,0|2,0,2]=4 375 B8R0.7 CSCCNCC(C)O 2230a_100020590264_100011218427 [0,0,0,0,0,0|2,0,2]=4 376 B8R0.7 CSCCNCC(C)O 34a_100000210904_100000212216 [0,0,0,0,0,0|2,0,2]=4 377 B8R0.7 CSCCNC[C@@H](C)O 2230a_100020590264_100009817552 [0,0,0,0,0,0|2,0,2]=4 378 B8R0.7 CSCCOCC(=O)C 34a_100000211253_100000212216 [0,0,0,0,0,0|2,0,0]=2 379 B8R0.7 CSCCOCC(=O)N 34a_100000230434_100000187820 [0,0,0,0,0,0|3,0,0]=3 380 B8R0.7 CSCCOCC(=O)N 62a_100000076697_200000210301 [0,0,0,0,0,0|3,0,0]=3 381 B8R0.7 CSCCOCC(=O)N 62a_200000210301_100000076697 [0,0,0,0,0,0|3,0,0]=3 382 B8R0.7 CSCCOCC(=O)N 7a_100000230434_100000187820 [0,0,0,0,0,0|3,0,0]=3 383 B8R0.7 CSCCOCC(=O)[O-] 34a_100000230434_100020667443 [0,0,0,0,0,0|3,0,0]=3 384 B8R0.7 CSCCOCC(C)Br 34a_100012180447_100000212216 [0,0,0,0,0,0|3,0,1]=4 385 B8R0.7 CSCCOCC(C)C 34a_100000210257_100000212216 [0,0,0,0,0,0|3,0,1]=4 386 B8R0.7 CSCCOCC(C)C 34a_100000230434_100000210624 [0,0,0,0,0,0|3,0,1]=4 387 B8R0.7 CSCCOCC(C)C 7a_100000230434_100000210760 [0,0,0,0,0,0|3,0,1]=4 388 B8R0.7 CSCCOCC(C)F 34a_100015925927_100000212216 [0,0,0,0,0,0|3,0,1]=4 389 B8R0.7 CSCCOCC(C)O 34a_100000230434_100011218427 [0,0,0,0,0,0|2,0,2]=4 390 B8R0.7 CSCCOCC(C)O 7a_100000230434_100011218427 [0,0,0,0,0,0|2,0,2]=4 391 B8R0.7 CSCCOC[C@@H](C)Cl 34a_100016084084_100000212216 [0,0,0,0,0,0|3,0,1]=4 392 B8R0.7 CSCCOC[C@@H](C)N 34a_100000737577_100000212216 [0,0,0,0,0,0|3,0,1]=4 393 B8R0.7 CSCCOC[C@@H](C)O 34a_100000230434_100009817552 [0,0,0,0,0,0|2,0,2]=4 394 B8R0.7 CSCCOC[C@@H](C)O 7a_100000230434_100009817552 [0,0,0,0,0,0|2,0,2]=4 395 B8R0.7 CSCCOC[N+](=O)[O-] 34a_100000230434_100000761209 [0,0,0,0,0,0|4,0,0]=4 396 B8R0.7 CSCCSCC(=O)N 62a_100000212216_100000747473 [0,0,0,0,0,0|3,0,0]=3 397 B8R0.7 CSCCSCC(=O)N 62a_100000747473_100000751147 [0,0,0,0,0,0|3,0,0]=3 398 B8R0.7 CSCCSCC(=O)[O-] 62a_100000212216_100020667443 [0,0,0,0,0,0|3,0,0]=3 399 B8R0.7 CSCCSCC(=O)[O-] 62a_100020667443_100000751147 [0,0,0,0,0,0|3,0,0]=3 400 B8R0.7 CSCCSCC(C)C 62a_100000210624_100000751147 [0,0,0,0,0,0|3,0,1]=4 401 B8R0.7 CSCCSCC(C)C 62a_100000212216_100000210760 [0,0,0,0,0,0|3,0,1]=4 402 B8R0.7 CSCCSCC(C)O 62a_100000212216_100011218427 [0,0,0,0,0,0|2,0,2]=4 403 B8R0.7 CSCCSCC(C)O 62a_100011218427_100000751147 [0,0,0,0,0,0|2,0,2]=4 404 B8R0.7 CSCCSC[C@@H](C)O 62a_100000212216_100009817552 [0,0,0,0,0,0|2,0,2]=4 405 B8R0.7 CSCCSC[C@@H](C)O 62a_100009817552_100000751147 [0,0,0,0,0,0|2,0,2]=4 406 B8R0.7 CSCCSC[N+](=O)[O-] 62a_100000212216_100000761209 [0,0,0,0,0,0|4,0,0]=4 407 B8R0.7 CSCNCC=C(C)C 34a_100000718196_100011218213 [0,0,0,0,0,0|3,0,0]=3 408 B8R0.7 CSCNCCC(C)O 2230a_200000755665_100011218213 [0,0,0,0,0,0|2,0,2]=4 409 B8R0.7 CSCNOCC(=O)O 269956a_100000106656_100011218213 [0,0,0,0,0,0|4,0,0]=4 410 B8R0.7 CSCOCC=C(C)C 34a_100000753907_100011218213 [0,0,0,0,0,0|3,0,0]=3 411 B8R0.7 CSCOCCC(=O)C 34a_100000759926_100011218213 [0,0,0,0,0,0|2,0,0]=2 412 B8R0.7 CSCOCCC(=O)N 34a_100000757172_100011218213 [0,0,0,0,0,0|3,0,0]=3 413 B8R0.7 CSCOCCC(C)Br 34a_100009893172_100011218213 [0,0,0,0,0,0|3,0,1]=4 414 B8R0.7 CSCOCCC(C)C 34a_100000210254_100011218213 [0,0,0,0,0,0|3,0,1]=4 415 B8R0.7 CSCOCC[C@@H](C)N 34a_100000706166_100011218213 [0,0,0,0,0,0|3,0,1]=4 416 B8R0.7 CSCSCC=C(C)C 62a_100000761012_100011218213 [0,0,0,0,0,0|3,0,0]=3 417 B8R0.7 CSCSCC=C(C)C 62a_100011218213_100000761012 [0,0,0,0,0,0|3,0,0]=3 418 B8R0.7 CSCSCCC(=O)C 62a_100000053229_100011218213 [0,0,0,0,0,0|2,0,0]=2 419 B8R0.7 CSCSCCC(=O)C 62a_100011218213_100000053229 [0,0,0,0,0,0|2,0,0]=2 420 B8R0.7 CSCSCCC(=O)N 62a_100000744528_100011218213 [0,0,0,0,0,0|3,0,0]=3 421 B8R0.7 CSCSCCC(=O)N 62a_100011218213_100000744528 [0,0,0,0,0,0|3,0,0]=3 422 B8R0.7 CSCSCCC(C)C 62a_100000210312_100011218213 [0,0,0,0,0,0|3,0,1]=4 423 B8R0.7 CSCSCCC(C)C 62a_100011218213_100000210312 [0,0,0,0,0,0|3,0,1]=4 424 B8R0.7 CSCSCCC(C)O 62a_100011218213_100012276601 [0,0,0,0,0,0|2,0,2]=4 425 B8R0.7 CSCSCCC(C)O 62a_100012276601_100011218213 [0,0,0,0,0,0|2,0,2]=4 426 B8R0.7 CSCSCCN(C)C 62a_100011218213_100000755713 [0,0,0,0,0,0|4,0,0]=4 427 B8R0.7 CSCSCOC(=O)C 62a_100000076356_100011218213 [0,0,0,0,0,0|1,0,0]=1 428 B8R0.7 CSCSCOC(=O)C 62a_100011218213_100000076356 [0,0,0,0,0,0|1,0,0]=1 429 B8R0.7 CSCSCOC(C)C 62a_100000709892_100011218213 [0,0,0,0,0,0|2,0,1]=3 430 B8R0.7 CSCSCOC(C)C 62a_100011218213_100000709892 [0,0,0,0,0,0|2,0,1]=3 431 B8R0.7 NC(=O)OCCOCF 7a_100000766696_100015361967 [0,0,0,0,0,0|4,0,0]=4 432 B8R0.7 NC(=O)OCCSCF 62a_100015361967_200011214921 [0,0,0,0,0,0|4,0,0]=4 433 B8R0.7 NC(=O)OCCSCF 62a_200011214921_100015361967 [0,0,0,0,0,0|4,0,0]=4 434 B8R0.7 [13CH3]C(=O)CCCCCO 1458a_100102619762_200025704644 [0,0,0,0,0,0|3,0,0]=3 435 B8R0.7 [13CH3]C(=O)CCCN=[N+]=[N-] 1458a_100010262590_200025704644 [0,0,0,0,0,0|4,0,0]=4 436 B8R0.7 [13CH3]C(=O)CCOCCO 1458a_100011229844_200025704644 [0,0,0,0,0,0|4,0,0]=4 437 B8R0.7 [13CH3]NCCCCC(=O)N 34a_100000696515_200025704644 [0,0,0,0,0,0|3,0,0]=3 438 B8R0.7 [13CH3]NCCOCC(=O)O 269956a_100000700818_200025704644 [0,0,0,0,0,0|4,0,0]=4 439 B8R0.7 [13CH3]OCCCCC(=O)N 34a_100012022536_200025704644 [0,0,0,0,0,0|2,1,0]=3 440 B8R0.7 [13CH3]OCCCCC(=O)N 7a_100012022536_200025704644 [0,0,0,0,0,0|2,1,0]=3 441 B8R0.7 [13CH3]OCCCC[N+](=O)[O-] 34a_200015379883_200025704644 [0,0,0,0,0,0|3,1,0]=4 442 B8R0.7 [13CH3]OCCCC[N+](=O)[O-] 7a_200015379883_200025704644 [0,0,0,0,0,0|3,1,0]=4 443 B8R0.7 [13CH3]SCCCCB(O)O 62a_200009817182_200025704644 [0,0,0,0,0,0|3,0,1]=4 444 B8R0.7 [13CH3]SCCCCB(O)O 62a_200025704644_200009817182 [0,0,0,0,0,0|3,0,1]=4 445 B8R0.7 [13CH3]SCCOCC(=O)N 62a_100000076697_200025704644 [0,0,0,0,0,0|3,0,0]=3 446 B8R0.7 [13CH3]SCCOCC(=O)N 62a_200025704644_100000076697 [0,0,0,0,0,0|3,0,0]=3 447 B7R0.1 C#CCCCCSC 62a_100010269958_200000210301 [1,0,0,0,0,0|1,0,2]=4 448 B7R0.1 C#CCCCCSC 62a_200000210301_100010269958 [1,0,0,0,0,0|1,0,2]=4 449 B7R0.1 C#CCCCCS[13CH3] 62a_100010269958_200025704644 [1,0,0,0,0,0|1,0,2]=4 450 B7R0.1 C#CCCCCS[13CH3] 62a_200025704644_100010269958 [1,0,0,0,0,0|1,0,2]=4 451 B7R0.1 C#CCCCOCC 34a_100000215630_100000210202 [1,0,0,0,0,0|1,0,2]=4 452 B7R0.1 C#CCCCOCC 34a_100121572206_100000695029 [1,0,0,0,0,0|1,0,2]=4 453 B7R0.1 C#CCCCOCC 7a_100000215630_100000210202 [1,0,0,0,0,0|1,0,2]=4 454 B7R0.1 C/C=C/CCOCC 34a_100016278192_100000210202 [1,0,0,0,0,0|1,0,2]=4 455 B7R0.1 C/C=C/COCCC 34a_100000210258_100102629194 [1,0,0,0,0,0|3,0,0]=4 456 B7R0.1 C/C=C/COCCC 34a_100016270725_100000210303 [1,0,0,0,0,0|3,0,0]=4 457 B7R0.1 C/C=C/COCSC 34a_100016270725_100011218213 [1,0,0,0,0,0|2,0,0]=3 458 B7R0.1 C/C=C/CSCCC 62a_100000210303_100102629194 [1,0,0,0,0,0|3,0,0]=4 459 B7R0.1 C/C=C/CSCCC 62a_100102629194_100000210303 [1,0,0,0,0,0|3,0,0]=4 460 B7R0.1 C/C=C/CSCOC 62a_100000766300_100102629194 [1,0,0,0,0,0|2,1,0]=4 461 B7R0.1 C/C=C/CSCOC 62a_100102629194_100000766300 [1,0,0,0,0,0|2,1,0]=4 462 B7R0.1 C/C=C/CSCSC 62a_100011218213_100102629194 [1,0,0,0,0,0|2,0,0]=3 463 B7R0.1 C/C=C/CSCSC 62a_100102629194_100011218213 [1,0,0,0,0,0|2,0,0]=3 464 B7R0.1 C=CCCCCNC 2230a_100000703577_200000210301 [1,0,0,0,0,0|2,0,1]=4 465 B7R0.1 C=CCCCCNC 2230a_106832991635_100011215482 [1,0,0,0,0,0|2,0,1]=4 466 B7R0.1 C=CCCCCNC 34a_100000703577_200000210301 [1,0,0,0,0,0|2,0,1]=4 467 B7R0.1 C=CCCCCNC 34a_100102657272_100011215482 [1,0,0,0,0,0|2,0,1]=4 468 B7R0.1 C=CCCCCNC 7a_106832991635_100011215482 [1,0,0,0,0,0|2,0,1]=4 469 B7R0.1 C=CCCCCN[13CH3] 2230a_100000703577_200025704644 [1,0,0,0,0,0|2,0,1]=4 470 B7R0.1 C=CCCCCN[13CH3] 34a_100000703577_200025704644 [1,0,0,0,0,0|2,0,1]=4 471 B7R0.1 C=CCCCCOC 34a_100000766645_200000210301 [1,0,0,0,0,0|1,1,1]=4 472 B7R0.1 C=CCCCCOC 34a_100138415774_100011215482 [1,0,0,0,0,0|1,1,1]=4 473 B7R0.1 C=CCCCCOC 7a_100000766645_200000210301 [1,0,0,0,0,0|1,1,1]=4 474 B7R0.1 C=CCCCCO[13CH3] 34a_100000766645_200025704644 [1,0,0,0,0,0|1,1,1]=4 475 B7R0.1 C=CCCCCO[13CH3] 7a_100000766645_200025704644 [1,0,0,0,0,0|1,1,1]=4 476 B7R0.1 C=CCCCCSC 62a_100011215482_200000210301 [1,0,0,0,0,0|1,0,1]=3 477 B7R0.1 C=CCCCCSC 62a_200000210301_100011215482 [1,0,0,0,0,0|1,0,1]=3 478 B7R0.1 C=CCCCCS[13CH3] 62a_100011215482_200025704644 [1,0,0,0,0,0|1,0,1]=3 479 B7R0.1 C=CCCCCS[13CH3] 62a_200025704644_100011215482 [1,0,0,0,0,0|1,0,1]=3 480 B7R0.1 C=CCCCOCC 34a_100000758997_100000210202 [1,0,0,0,0,0|1,0,2]=4 481 B7R0.1 C=CCCCOCC 34a_100121572206_100000757094 [1,0,0,0,0,0|1,0,2]=4 482 B7R0.1 C=CCCCOCC 7a_100000758997_100000210202 [1,0,0,0,0,0|1,0,2]=4 483 B7R0.1 C=CCCNCSC 2230a_100015191253_100011218213 [1,0,0,0,0,0|2,0,1]=4 484 B7R0.1 C=CCCOCSC 34a_100011205117_100011218213 [1,0,0,0,0,0|2,0,1]=4 485 B7R0.1 C=CCCSCSC 62a_100000754431_100011218213 [1,0,0,0,0,0|2,0,1]=4 486 B7R0.1 C=CCCSCSC 62a_100011218213_100000754431 [1,0,0,0,0,0|2,0,1]=4 487 B7R0.1 C=CCNCCSC 2230a_100020586998_100000751147 [1,0,0,0,0,0|2,0,1]=4 488 B7R0.1 C=CCNCCSC 2230a_100020590264_100000210623 [1,0,0,0,0,0|2,0,1]=4 489 B7R0.1 C=CCOCCSC 34a_100000230434_100015514636 [1,0,0,0,0,0|2,0,1]=4 490 B7R0.1 C=CCOCCSC 34a_200000210373_100000212216 [1,0,0,0,0,0|2,0,1]=4 491 B7R0.1 C=CCOCCSC 7a_100000230434_100015514636 [1,0,0,0,0,0|2,0,1]=4 492 B7R0.1 C=CCSCCSC 62a_100000210623_100000751147 [1,0,0,0,0,0|2,0,1]=4 493 B7R0.1 C=CCSCCSC 62a_100000212216_100000210623 [1,0,0,0,0,0|2,0,1]=4 494 B7R0.1 C=COCCCNC 2230a_100000210767_200000210301 [1,0,0,0,0,0|1,0,1]=3 495 B7R0.1 C=COCCCNC 34a_100000210767_200000210301 [1,0,0,0,0,0|1,0,1]=3 496 B7R0.1 C=COCCCN[13CH3] 2230a_100000210767_200025704644 [1,0,0,0,0,0|1,0,1]=3 497 B7R0.1 C=COCCCN[13CH3] 34a_100000210767_200025704644 [1,0,0,0,0,0|1,0,1]=3 498 B7R0.1 C=COCCNCC 2230a_100015525214_100000039644 [1,0,0,0,0,0|2,0,1]=4 499 B7R0.1 C=COCCOCC 34a_100000033082_100000210202 [1,0,0,0,0,0|2,0,1]=4 500 B7R0.1 C=COCCOCC 34a_100121572206_100000039644 [1,0,0,0,0,0|2,0,1]=4 501 B7R0.1 C=COCCSCC 62a_100000039644_100000210202 [1,0,0,0,0,0|2,0,1]=4 502 B7R0.1 C=COCCSCC 62a_100000210202_100000039644 [1,0,0,0,0,0|2,0,1]=4 503 B7R0.1 CC#CCCOCC 34a_100000750427_100000210202 [1,0,0,0,0,0|1,0,2]=4 504 B7R0.1 CC#CCNCSC 2230a_100000685387_100011218213 [1,0,0,0,0,0|2,0,1]=4 505 B7R0.1 CC#CCNCSC 34a_100000685387_100011218213 [1,0,0,0,0,0|2,0,1]=4 506 B7R0.1 CC#CCOCSC 34a_100000761923_100011218213 [1,0,0,0,0,0|2,0,1]=4 507 B7R0.1 CC#CCSCSC 62a_100000748600_100011218213 [1,0,0,0,0,0|2,0,1]=4 508 B7R0.1 CC#CCSCSC 62a_100011218213_100000748600 [1,0,0,0,0,0|2,0,1]=4 509 B7R0.1 CC/C=C\CCSC 62a_100015370543_200000210301 [1,0,0,0,0,0|1,0,2]=4 510 B7R0.1 CC/C=C\CCSC 62a_200000210301_100015370543 [1,0,0,0,0,0|1,0,2]=4 511 B7R0.1 CC/C=C\CCS[13CH3] 62a_100015370543_200025704644 [1,0,0,0,0,0|1,0,2]=4 512 B7R0.1 CC/C=C\CCS[13CH3] 62a_200025704644_100015370543 [1,0,0,0,0,0|1,0,2]=4 513 B7R0.1 CC=C=CCCOC 34a_100011020354_200000210301 [1,0,0,0,0,0|1,1,1]=4 514 B7R0.1 CC=C=CCCO[13CH3] 34a_100011020354_200025704644 [1,0,0,0,0,0|1,1,1]=4 515 B7R0.1 CC=CCCCOC 34a_100020645299_200000210301 [1,0,0,0,0,0|1,1,0]=3 516 B7R0.1 CC=CCCCO[13CH3] 34a_100020645299_200025704644 [1,0,0,0,0,0|1,1,0]=3 517 B7R0.1 CC=CCOCCC 34a_100000210258_100000070051 [1,0,0,0,0,0|3,0,0]=4 518 B7R0.1 CC=CCSCCC 62a_100000070051_100000210303 [1,0,0,0,0,0|3,0,0]=4 519 B7R0.1 CC=CCSCCC 62a_100000210303_100000070051 [1,0,0,0,0,0|3,0,0]=4 520 B7R0.1 CC=CCSCOC 62a_100000070051_100000766300 [1,0,0,0,0,0|2,1,0]=4 521 B7R0.1 CC=CCSCOC 62a_100000766300_100000070051 [1,0,0,0,0,0|2,1,0]=4 522 B7R0.1 CC=CCSCSC 62a_100000070051_100011218213 [1,0,0,0,0,0|2,0,0]=3 523 B7R0.1 CC=CCSCSC 62a_100011218213_100000070051 [1,0,0,0,0,0|2,0,0]=3 524 B7R0.1 CC=NNCCCC 4a_100025702795_200000210099 [1,0,0,0,0,0|3,0,0]=4 525 B7R0.1 CCCCCCNC 2230a_100000210581_200000210301 [1,0,0,0,0,0|2,0,1]=4 526 B7R0.1 CCCCCCNC 2230a_106832991635_100000210314 [1,0,0,0,0,0|2,0,1]=4 527 B7R0.1 CCCCCCNC 34a_100102657272_100000210314 [1,0,0,0,0,0|2,0,1]=4 528 B7R0.1 CCCCCCNC 7a_106832991635_100000210314 [1,0,0,0,0,0|2,0,1]=4 529 B7R0.1 CCCCCCN[13CH3] 2230a_100000210581_200025704644 [1,0,0,0,0,0|2,0,1]=4 530 B7R0.1 CCCCCCOC 34a_100000210259_200000210301 [1,0,0,0,0,0|1,1,1]=4 531 B7R0.1 CCCCCCOC 34a_100138415774_100000210314 [1,0,0,0,0,0|1,1,1]=4 532 B7R0.1 CCCCCCOC 7a_100000210259_200000210301 [1,0,0,0,0,0|1,1,1]=4 533 B7R0.1 CCCCCCO[13CH3] 34a_100000210259_200025704644 [1,0,0,0,0,0|1,1,1]=4 534 B7R0.1 CCCCCCO[13CH3] 7a_100000210259_200025704644 [1,0,0,0,0,0|1,1,1]=4 535 B7R0.1 CCCCCCSC 62a_100000210314_200000210301 [1,0,0,0,0,0|1,0,1]=3 536 B7R0.1 CCCCCCSC 62a_200000210301_100000210757 [1,0,0,0,0,0|1,0,1]=3 537 B7R0.1 CCCCCCS[13CH3] 62a_100000210314_200025704644 [1,0,0,0,0,0|1,0,1]=3 538 B7R0.1 CCCCCCS[13CH3] 62a_200025704644_100000210757 [1,0,0,0,0,0|1,0,1]=3 539 B7R0.1 CCCCCNCC 2230a_100000209983_100000210202 [1,0,0,0,0,0|2,0,1]=4 540 B7R0.1 CCCCCNCC 2230a_100015525214_100000210326 [1,0,0,0,0,0|2,0,1]=4 541 B7R0.1 CCCCCOCC 34a_100000210253_100000210202 [1,0,0,0,0,0|1,0,1]=3 542 B7R0.1 CCCCCOCC 34a_100121572206_100000718602 [1,0,0,0,0,0|1,0,1]=3 543 B7R0.1 CCCCCOCC 7a_100000210253_100000210202 [1,0,0,0,0,0|1,0,1]=3 544 B7R0.1 CCCCCOCF 34a_100000210253_100015361967 [1,0,0,0,0,0|2,0,1]=4 545 B7R0.1 CCCCCOCF 7a_100000210253_100015361967 [1,0,0,0,0,0|2,0,1]=4 546 B7R0.1 CCCCCSCC 62a_100000210202_100000210326 [1,0,0,0,0,0|1,1,1]=4 547 B7R0.1 CCCCCSCC 62a_100000210326_100000210202 [1,0,0,0,0,0|1,1,1]=4 548 B7R0.1 CCCCNCC=O 2230a_100000102301_200015260668 [1,0,0,0,0,0|3,0,0]=4 549 B7R0.1 CCCCNCC=O 7a_106832991798_200015260668 [1,0,0,0,0,0|3,0,0]=4 550 B7R0.1 CCCCNCSC 2230a_100000102301_100011218213 [1,0,0,0,0,0|2,0,1]=4 551 B7R0.1 CCCCOCC=O 34a_100000210227_200009817547 [1,0,0,0,0,0|3,0,0]=4 552 B7R0.1 CCCCOCC=O 7a_100000210227_200015260668 [1,0,0,0,0,0|3,0,0]=4 553 B7R0.1 CCCCOCSC 34a_100000210227_100011218213 [1,0,0,0,0,0|2,0,1]=4 554 B7R0.1 CCCCOCSC 62a_100011995733_200000210301 [1,0,0,0,0,0|2,0,1]=4 555 B7R0.1 CCCCOCSC 62a_200000210301_100011995733 [1,0,0,0,0,0|2,0,1]=4 556 B7R0.1 CCCCOCS[13CH3] 62a_100011995733_200025704644 [1,0,0,0,0,0|2,0,1]=4 557 B7R0.1 CCCCOCS[13CH3] 62a_200025704644_100011995733 [1,0,0,0,0,0|2,0,1]=4 558 B7R0.1 CCCCSCC=O 62a_100000210211_200015260668 [1,0,0,0,0,0|3,0,0]=4 559 B7R0.1 CCCCSCC=O 62a_200015260668_100000210210 [1,0,0,0,0,0|3,0,0]=4 560 B7R0.1 CCCCSCSC 62a_100000210211_100011218213 [1,0,0,0,0,0|2,0,1]=4 561 B7R0.1 CCCCSCSC 62a_100011218213_100000210210 [1,0,0,0,0,0|2,0,1]=4 562 B7R0.1 CCCNCCSC 2230a_100020590264_100000210303 [1,0,0,0,0,0|2,0,1]=4 563 B7R0.1 CCCOCCSC 34a_100000210258_100000212216 [1,0,0,0,0,0|2,0,1]=4 564 B7R0.1 CCCOCCSC 34a_100000230434_100000210303 [1,0,0,0,0,0|2,0,1]=4 565 B7R0.1 CCCOCCSC 62a_100011215938_200000210301 [1,0,0,0,0,0|2,0,1]=4 566 B7R0.1 CCCOCCSC 62a_200000210301_100011215938 [1,0,0,0,0,0|2,0,1]=4 567 B7R0.1 CCCOCCSC 7a_100000230434_100000210303 [1,0,0,0,0,0|2,0,1]=4 568 B7R0.1 CCCOCCS[13CH3] 62a_100011215938_200025704644 [1,0,0,0,0,0|2,0,1]=4 569 B7R0.1 CCCOCCS[13CH3] 62a_200025704644_100011215938 [1,0,0,0,0,0|2,0,1]=4 570 B7R0.1 CCCSCCSC 62a_100000210303_100000751147 [1,0,0,0,0,0|2,0,1]=4 571 B7R0.1 CCCSCCSC 62a_100000212216_100000210303 [1,0,0,0,0,0|2,0,1]=4 572 B7R0.1 CCCSCOCC 62a_100000210303_100000739092 [1,0,0,0,0,0|2,0,1]=4 573 B7R0.1 CCCSCOCC 62a_100000739092_100000210303 [1,0,0,0,0,0|2,0,1]=4 574 B7R0.1 CCNCCCC=O 2230a_100015525214_200011292268 [1,0,0,0,0,0|3,0,0]=4 575 B7R0.1 CCNCCCOC 2230a_100015525214_100000740836 [1,0,0,0,0,0|1,1,1]=4 576 B7R0.1 CCNCCCOC 34a_100150723488_100000210202 [1,0,0,0,0,0|1,1,1]=4 577 B7R0.1 CCNCCCSC 2230a_100000749238_100000210202 [1,0,0,0,0,0|1,0,1]=3 578 B7R0.1 CCNCCOCC 2230a_100015525214_100011215890 [1,0,0,0,0,0|2,0,1]=4 579 B7R0.1 CCNCCOCC 2230a_102516460346_100000210202 [1,0,0,0,0,0|2,0,1]=4 580 B7R0.1 CCNCCOCC 34a_102516460346_100000210202 [1,0,0,0,0,0|2,0,1]=4 581 B7R0.1 CCOCCCCBr 34a_100011216708_100000210202 [1,0,0,0,0,0|2,0,1]=4 582 B7R0.1 CCOCCCCCl 34a_100000210776_100000210202 [1,0,0,0,0,0|2,0,1]=4 583 B7R0.1 CCOCCCCCl 7a_100000210776_100000210202 [1,0,0,0,0,0|2,0,1]=4 584 B7R0.1 CCOCCCCF 34a_100011995726_100000210202 [1,0,0,0,0,0|2,0,1]=4 585 B7R0.1 CCOCCCCF 34a_100121572206_100000729493 [1,0,0,0,0,0|2,0,1]=4 586 B7R0.1 CCOCCCCF 7a_100011995726_100000210202 [1,0,0,0,0,0|2,0,1]=4 587 B7R0.1 CCOCCCCI 34a_200012148704_100000210202 [1,0,0,0,0,0|2,0,1]=4 588 B7R0.1 CCOCCCCN 34a_100000750430_100000210202 [1,0,0,0,0,0|2,0,1]=4 589 B7R0.1 CCOCCCCO 34a_100121572206_100011216708 [1,0,0,0,0,0|2,0,1]=4 590 B7R0.1 CCOCCCNC 2230a_100000210961_200000210301 [1,0,0,0,0,0|1,0,1]=3 591 B7R0.1 CCOCCCNC 2230a_106832991635_100012232248 [1,0,0,0,0,0|1,0,1]=3 592 B7R0.1 CCOCCCNC 34a_100000210961_200000210301 [1,0,0,0,0,0|1,0,1]=3 593 B7R0.1 CCOCCCNC 34a_100000213112_100000210202 [1,0,0,0,0,0|1,0,1]=3 594 B7R0.1 CCOCCCNC 34a_100102657272_100012232248 [1,0,0,0,0,0|1,0,1]=3 595 B7R0.1 CCOCCCNC 7a_106832991635_100012232248 [1,0,0,0,0,0|1,0,1]=3 596 B7R0.1 CCOCCCN[13CH3] 2230a_100000210961_200025704644 [1,0,0,0,0,0|1,0,1]=3 597 B7R0.1 CCOCCCN[13CH3] 34a_100000210961_200025704644 [1,0,0,0,0,0|1,0,1]=3 598 B7R0.1 CCOCCCOC 34a_100000740835_100000210202 [1,0,0,0,0,0|0,1,1]=3 599 B7R0.1 CCOCCCOC 34a_100000757476_200000210301 [1,0,0,0,0,0|0,1,1]=3 600 B7R0.1 CCOCCCOC 34a_100121572206_100000740836 [1,0,0,0,0,0|0,1,1]=3 601 B7R0.1 CCOCCCOC 34a_100138415774_100012232248 [1,0,0,0,0,0|0,1,1]=3 602 B7R0.1 CCOCCCOC 7a_100000757476_200000210301 [1,0,0,0,0,0|0,1,1]=3 603 B7R0.1 CCOCCCO[13CH3] 34a_100000757476_200025704644 [1,0,0,0,0,0|0,1,1]=3 604 B7R0.1 CCOCCCO[13CH3] 7a_100000757476_200025704644 [1,0,0,0,0,0|0,1,1]=3 605 B7R0.1 CCOCCCSC 34a_100000690336_100000210202 [1,0,0,0,0,0|0,0,1]=2 606 B7R0.1 CCOCCCSC 62a_100012232248_200000210301 [1,0,0,0,0,0|0,0,1]=2 607 B7R0.1 CCOCCCSC 62a_200000210301_100012232248 [1,0,0,0,0,0|0,0,1]=2 608 B7R0.1 CCOCCCSC 7a_100000690336_100000210202 [1,0,0,0,0,0|0,0,1]=2 609 B7R0.1 CCOCCCS[13CH3] 62a_100012232248_200025704644 [1,0,0,0,0,0|0,0,1]=2 610 B7R0.1 CCOCCCS[13CH3] 62a_200025704644_100012232248 [1,0,0,0,0,0|0,0,1]=2 611 B7R0.1 CCOCCOCC 34a_100000210136_100000210202 [1,0,0,0,0,0|2,0,1]=4 612 B7R0.1 CCOCCOCC 34a_100121572206_100000210147 [1,0,0,0,0,0|2,0,1]=4 613 B7R0.1 CCOCCOCC 7a_100000210136_100000210202 [1,0,0,0,0,0|2,0,1]=4 614 B7R0.1 CCOCCSCC 34a_100000212035_100000210202 [1,0,0,0,0,0|2,0,1]=4 615 B7R0.1 CCOCCSCC 34a_100121572206_100000757381 [1,0,0,0,0,0|2,0,1]=4 616 B7R0.1 CCOCCSCC 62a_100000210147_100000210202 [1,0,0,0,0,0|2,0,1]=4 617 B7R0.1 CCOCCSCC 62a_100000210202_100011215890 [1,0,0,0,0,0|2,0,1]=4 618 B7R0.1 CCOCCSCC 7a_100000212035_100000210202 [1,0,0,0,0,0|2,0,1]=4 619 B7R0.1 CCOCSCOC 62a_100000739092_100000766300 [1,0,0,0,0,0|1,1,1]=4 620 B7R0.1 CCOCSCOC 62a_100000766300_100000739092 [1,0,0,0,0,0|1,1,1]=4 621 B7R0.1 CCOCSCSC 62a_100000739092_100011218213 [1,0,0,0,0,0|1,0,1]=3 622 B7R0.1 CCOCSCSC 62a_100011218213_100000739092 [1,0,0,0,0,0|1,0,1]=3 623 B7R0.1 CCSCCCC=O 62a_100000210202_200011292268 [1,0,0,0,0,0|3,0,0]=4 624 B7R0.1 CCSCCCC=O 62a_200011292268_100000210202 [1,0,0,0,0,0|3,0,0]=4 625 B7R0.1 CCSCCCOC 34a_100011216438_200000210301 [1,0,0,0,0,0|0,2,1]=4 626 B7R0.1 CCSCCCOC 62a_100000210202_100000709357 [1,0,0,0,0,0|0,2,1]=4 627 B7R0.1 CCSCCCOC 62a_100000709357_100000210202 [1,0,0,0,0,0|0,2,1]=4 628 B7R0.1 CCSCCCOC 7a_100011216438_200000210301 [1,0,0,0,0,0|0,2,1]=4 629 B7R0.1 CCSCCCO[13CH3] 34a_100011216438_200025704644 [1,0,0,0,0,0|0,2,1]=4 630 B7R0.1 CCSCCCO[13CH3] 7a_100011216438_200025704644 [1,0,0,0,0,0|0,2,1]=4 631 B7R0.1 CNCCCCC=O 2230a_106832991635_100000139335 [1,0,0,0,0,0|2,0,0]=3 632 B7R0.1 CNCCCCC=O 7a_106832991635_100000139335 [1,0,0,0,0,0|2,0,0]=3 633 B7R0.1 CNCCCCOC 2230a_106832991635_100000730899 [1,0,0,0,0,0|2,1,0]=4 634 B7R0.1 CNCCCCOC 34a_100102657272_100000755781 [1,0,0,0,0,0|2,1,0]=4 635 B7R0.1 CNCCCCOC 7a_106832991635_100000730899 [1,0,0,0,0,0|2,1,0]=4 636 B7R0.1 CNCCCOCF 34a_100000213112_100015361967 [1,0,0,0,0,0|2,0,1]=4 637 B7R0.1 COCCCCOC 34a_100000740925_200000210301 [1,0,0,0,0,0|2,1,0]=4 638 B7R0.1 COCCCCOC 34a_100138415774_100000755781 [1,0,0,0,0,0|2,1,0]=4 639 B7R0.1 COCCCCO[13CH3] 34a_100000740925_200025704644 [1,0,0,0,0,0|2,1,0]=4 640 B7R0.1 COCCCCSC 34a_100011217163_200000210301 [1,0,0,0,0,0|2,0,0]=3 641 B7R0.1 COCCCCSC 62a_100000730899_200000210301 [1,0,0,0,0,0|2,0,0]=3 642 B7R0.1 COCCCCSC 62a_200000210301_100000730899 [1,0,0,0,0,0|2,0,0]=3 643 B7R0.1 COCCCCSC 7a_100011217163_200000210301 [1,0,0,0,0,0|2,0,0]=3 644 B7R0.1 COCCCCS[13CH3] 62a_100000730899_200025704644 [1,0,0,0,0,0|2,0,0]=3 645 B7R0.1 COCCCCS[13CH3] 62a_200025704644_100000730899 [1,0,0,0,0,0|2,0,0]=3 646 B7R0.1 COCCCOCF 34a_100000740835_100015361967 [1,0,0,0,0,0|1,1,1]=4 647 B7R0.1 COCCNCC=O 2230a_100000209980_200015260668 [1,0,0,0,0,0|2,1,0]=4 648 B7R0.1 COCCNCSC 2230a_100000209980_100011218213 [1,0,0,0,0,0|3,0,0]=4 649 B7R0.1 COCCOCC=O 34a_100000210237_200009817547 [1,0,0,0,0,0|2,1,0]=4 650 B7R0.1 COCCOCSC 34a_100000210237_100011218213 [1,0,0,0,0,0|3,0,0]=4 651 B7R0.1 COCCOCSC 62a_100000231047_200000210301 [1,0,0,0,0,0|3,0,0]=4 652 B7R0.1 COCCOCSC 62a_200000210301_100000231047 [1,0,0,0,0,0|3,0,0]=4 653 B7R0.1 COCCOCS[13CH3] 62a_100000231047_200025704644 [1,0,0,0,0,0|3,0,0]=4 654 B7R0.1 COCCOCS[13CH3] 62a_200025704644_100000231047 [1,0,0,0,0,0|3,0,0]=4 655 B7R0.1 COCCSCC=O 62a_100000233755_200015260668 [1,0,0,0,0,0|2,1,0]=4 656 B7R0.1 COCCSCC=O 62a_200015260668_100000233755 [1,0,0,0,0,0|2,1,0]=4 657 B7R0.1 COCCSCSC 62a_100000233755_100011218213 [1,0,0,0,0,0|3,0,0]=4 658 B7R0.1 COCCSCSC 62a_100011218213_100000233755 [1,0,0,0,0,0|3,0,0]=4 659 B7R0.1 COCNCCSC 2230a_100020590264_100000766300 [1,0,0,0,0,0|3,0,0]=4 660 B7R0.1 COCSCCSC 62a_100000212216_100000766300 [1,0,0,0,0,0|3,0,0]=4 661 B7R0.1 COCSCCSC 62a_100000766300_100000751147 [1,0,0,0,0,0|3,0,0]=4 662 B7R0.1 CSCCCCC#N 62a_100011219923_200000210301 [1,0,0,0,0,0|2,0,1]=4 663 B7R0.1 CSCCCCC#N 62a_200000210301_100000211819 [1,0,0,0,0,0|2,0,1]=4 664 B7R0.1 CSCCCCC=O 62a_100000139335_200000210301 [1,0,0,0,0,0|1,0,0]=2 665 B7R0.1 CSCCCCC=O 62a_200000210301_100000139335 [1,0,0,0,0,0|1,0,0]=2 666 B7R0.1 CSCCCCCF 62a_100000729378_200000210301 [1,0,0,0,0,0|2,0,1]=4 667 B7R0.1 CSCCCCCF 62a_200000210301_100000729378 [1,0,0,0,0,0|2,0,1]=4 668 B7R0.1 CSCCCCCO 62a_100000746330_200000210301 [1,0,0,0,0,0|1,0,2]=4 669 B7R0.1 CSCCCCCO 62a_200000210301_100000746330 [1,0,0,0,0,0|1,0,2]=4 670 B7R0.1 CSCCCCO[13CH3] 34a_100011217163_200025704644 [1,0,0,0,0,0|2,0,0]=3 671 B7R0.1 CSCCCCO[13CH3] 7a_100011217163_200025704644 [1,0,0,0,0,0|2,0,0]=3 672 B7R0.1 CSCCCOCF 34a_100000690336_100015361967 [1,0,0,0,0,0|1,0,1]=3 673 B7R0.1 CSCCCOCF 7a_100000690336_100015361967 [1,0,0,0,0,0|1,0,1]=3 674 B7R0.1 CSCCNCC=O 2230a_100020590264_200015260668 [1,0,0,0,0,0|2,0,0]=3 675 B7R0.1 CSCCNCSC 2230a_100020590264_100011218213 [1,0,0,0,0,0|3,0,0]=4 676 B7R0.1 CSCCOCC=O 34a_100000230434_200009817547 [1,0,0,0,0,0|2,0,0]=3 677 B7R0.1 CSCCOCC=O 7a_100000230434_200015260668 [1,0,0,0,0,0|2,0,0]=3 678 B7R0.1 CSCCOCSC 34a_100000230434_100011218213 [1,0,0,0,0,0|3,0,0]=4 679 B7R0.1 CSCCSCC=O 62a_100000212216_200015260668 [1,0,0,0,0,0|2,0,0]=3 680 B7R0.1 CSCCSCC=O 62a_200015260668_100000751147 [1,0,0,0,0,0|2,0,0]=3 681 B7R0.1 CSCCSCSC 62a_100000212216_100011218213 [1,0,0,0,0,0|3,0,0]=4 682 B7R0.1 CSCCSCSC 62a_100011218213_100000751147 [1,0,0,0,0,0|3,0,0]=4 683 B7R0.1 [13CH3]SCCCCC#N 62a_100011219923_200025704644 [1,0,0,0,0,0|2,0,1]=4 684 B7R0.1 [13CH3]SCCCCC#N 62a_200025704644_100000211819 [1,0,0,0,0,0|2,0,1]=4 685 B7R0.1 [13CH3]SCCCCC=O 62a_100000139335_200025704644 [1,0,0,0,0,0|1,0,0]=2 686 B7R0.1 [13CH3]SCCCCC=O 62a_200025704644_100000139335 [1,0,0,0,0,0|1,0,0]=2 687 B7R0.1 [13CH3]SCCCCCF 62a_100000729378_200025704644 [1,0,0,0,0,0|2,0,1]=4 688 B7R0.1 [13CH3]SCCCCCF 62a_200025704644_100000729378 [1,0,0,0,0,0|2,0,1]=4 689 B7R0.1 [13CH3]SCCCCCO 62a_100000746330_200025704644 [1,0,0,0,0,0|1,0,2]=4 690 B7R0.1 [13CH3]SCCCCCO 62a_200025704644_100000746330 [1,0,0,0,0,0|1,0,2]=4 691 B7R0.4 C#CCCCC(=O)C 1458a_100000070787_100000731252 [1,0,0,0,0,0|1,0,1]=3 692 B7R0.4 C#CCCCC(=O)C 1458a_100000690238_200000210301 [1,0,0,0,0,0|1,0,1]=3 693 B7R0.4 C#CCCCC(=O)[13CH3] 1458a_100000690238_200025704644 [1,0,0,0,0,0|1,0,1]=3 694 B7R0.4 C#CCCNC(=O)C 11a_100000755551_100015343762 [1,0,0,0,0,0|1,0,2]=4 695 B7R0.4 C#CCCNC(=O)C 1626a_100000755551_100015343762 [1,0,0,0,0,0|1,0,2]=4 696 B7R0.4 C#CCCNC(=O)C 240690a_100000755551_100015343762 [1,0,0,0,0,0|1,0,2]=4 697 B7R0.4 C#CCCNC(=O)C 527a_100000755551_100103153847 [1,0,0,0,0,0|1,0,2]=4 698 B7R0.4 C#CCOCC(=O)C 1458a_100011251226_200000210301 [1,0,0,0,0,0|2,0,1]=4 699 B7R0.4 C#CCOCC(=O)C 34a_100000211253_100000184674 [1,0,0,0,0,0|2,0,1]=4 700 B7R0.4 C#CCOCC(=O)[13CH3] 1458a_100011251226_200025704644 [1,0,0,0,0,0|2,0,1]=4 701 B7R0.4 C=C(C)CCNCC 2230a_100015525214_100000730704 [1,0,0,0,0,0|3,0,0]=4 702 B7R0.4 C=C(C)CCOCC 34a_100000764851_100000210202 [1,0,0,0,0,0|3,0,0]=4 703 B7R0.4 C=C(C)CCOCC 34a_100121572206_100000730704 [1,0,0,0,0,0|3,0,0]=4 704 B7R0.4 C=C(C)CCSCC 62a_100000210202_100000730704 [1,0,0,0,0,0|3,0,0]=4 705 B7R0.4 C=C(C)CCSCC 62a_100000730704_100000210202 [1,0,0,0,0,0|3,0,0]=4 706 B7R0.4 C=C(C)COCCC 34a_100000210245_100000210303 [1,0,0,0,0,0|3,0,0]=4 707 B7R0.4 C=C(C)COCCC 34a_100000210258_100000748629 [1,0,0,0,0,0|3,0,0]=4 708 B7R0.4 C=C(C)COCSC 34a_100000210245_100011218213 [1,0,0,0,0,0|2,0,0]=3 709 B7R0.4 C=C(C)CSCCC 62a_100000210303_100000211660 [1,0,0,0,0,0|3,0,0]=4 710 B7R0.4 C=C(C)CSCCC 62a_100000748629_100000210303 [1,0,0,0,0,0|3,0,0]=4 711 B7R0.4 C=C(C)CSCOC 62a_100000748629_100000766300 [1,0,0,0,0,0|2,1,0]=4 712 B7R0.4 C=C(C)CSCOC 62a_100000766300_100000211660 [1,0,0,0,0,0|2,1,0]=4 713 B7R0.4 C=C(C)CSCSC 62a_100000748629_100011218213 [1,0,0,0,0,0|2,0,0]=3 714 B7R0.4 C=C(C)CSCSC 62a_100011218213_100000211660 [1,0,0,0,0,0|2,0,0]=3 715 B7R0.4 C=C(F)COCSC 34a_200010262243_100011218213 [1,0,0,0,0,0|2,0,1]=4 716 B7R0.4 C=C(F)CSCSC 62a_100000042424_100011218213 [1,0,0,0,0,0|2,0,1]=4 717 B7R0.4 C=C(F)CSCSC 62a_100011218213_100000042424 [1,0,0,0,0,0|2,0,1]=4 718 B7R0.4 C=CCCCC(=O)C 1458a_100000070787_100000757094 [1,0,0,0,0,0|1,0,1]=3 719 B7R0.4 C=CCCCC(=O)C 1458a_100000766728_200000210301 [1,0,0,0,0,0|1,0,1]=3 720 B7R0.4 C=CCCCC(=O)[13CH3] 1458a_100000766728_200025704644 [1,0,0,0,0,0|1,0,1]=3 721 B7R0.4 C=CCCNC(=O)C 11a_100015191253_100015343762 [1,0,0,0,0,0|1,0,2]=4 722 B7R0.4 C=CCCNC(=O)C 1626a_100015191253_100015343762 [1,0,0,0,0,0|1,0,2]=4 723 B7R0.4 C=CCCNC(=O)C 240690a_100015191253_100015343762 [1,0,0,0,0,0|1,0,2]=4 724 B7R0.4 C=CCCNC(=O)C 527a_100015191253_100103153847 [1,0,0,0,0,0|1,0,2]=4 725 B7R0.4 C=CCOCC(=O)C 34a_100000211253_100015514636 [1,0,0,0,0,0|2,0,1]=4 726 B7R0.4 C=CCSCC(=O)C 1458a_100000230395_200000210301 [1,0,0,0,0,0|2,0,1]=4 727 B7R0.4 C=CCSCC(=O)[13CH3] 1458a_100000230395_200025704644 [1,0,0,0,0,0|2,0,1]=4 728 B7R0.4 C=COCCC(=O)C 1458a_100000070787_100000039644 [1,0,0,0,0,0|2,0,1]=4 729 B7R0.4 CC#CCNC(=O)C 11a_100000685387_100015343762 [1,0,0,0,0,0|1,0,2]=4 730 B7R0.4 CC#CCNC(=O)C 1626a_100000685387_100015343762 [1,0,0,0,0,0|1,0,2]=4 731 B7R0.4 CC#CCNC(=O)C 527a_100000685387_100103153847 [1,0,0,0,0,0|1,0,2]=4 732 B7R0.4 CC(=CCCS[13CH3])C 62a_100011217483_200025704644 [1,0,0,0,0,0|1,0,1]=3 733 B7R0.4 CC(=CCCS[13CH3])C 62a_200025704644_100011217483 [1,0,0,0,0,0|1,0,1]=3 734 B7R0.4 CC(=O)CCCC#N 1458a_100000070787_100000211468 [1,0,0,0,0,0|2,0,0]=3 735 B7R0.4 CC(=O)CCCC#N 1458a_100000075515_200000210301 [1,0,0,0,0,0|2,0,0]=3 736 B7R0.4 CC(=O)CCCCF 1458a_100000070787_100000729493 [1,0,0,0,0,0|2,0,0]=3 737 B7R0.4 CC(=O)CCCCO 1458a_100000070787_100000210776 [1,0,0,0,0,0|1,1,0]=3 738 B7R0.4 CC(=O)CCCCO 1458a_100000695505_200000210301 [1,0,0,0,0,0|1,1,0]=3 739 B7R0.4 CC(=O)CCCO[13CH3] 34a_100000759063_200025704644 [1,0,0,0,0,0|0,1,0]=2 740 B7R0.4 CC(=O)CCCO[13CH3] 7a_100000759063_200025704644 [1,0,0,0,0,0|0,1,0]=2 741 B7R0.4 CC(=O)CCCS[13CH3] 62a_100011215641_200025704644 [1,0,0,0,0,0|0,0,0]=1 742 B7R0.4 CC(=O)CCCS[13CH3] 62a_200025704644_100011215641 [1,0,0,0,0,0|0,0,0]=1 743 B7R0.4 CC(=O)CCN=[N+]=[N-] 1458a_100000688302_200000210301 [1,0,0,0,0,0|3,0,0]=4 744 B7R0.4 CC(=O)CCOCF 34a_100000759926_100015361967 [1,0,0,0,0,0|3,0,0]=4 745 B7R0.4 CC(=O)CCOCF 7a_100000759926_100015361967 [1,0,0,0,0,0|3,0,0]=4 746 B7R0.4 CC(=O)CCSCF 62a_100000053229_100015361967 [1,0,0,0,0,0|3,0,0]=4 747 B7R0.4 CC(=O)CCSCF 62a_100015361967_100000053229 [1,0,0,0,0,0|3,0,0]=4 748 B7R0.4 CC(=O)COCC=O 34a_100000211253_200009817547 [1,0,0,0,0,0|3,0,0]=4 749 B7R0.4 CC(=O)COCCF 34a_100000211253_100011217306 [1,0,0,0,0,0|3,0,0]=4 750 B7R0.4 CC(=O)COCCO 1458a_100000708028_200000210301 [1,0,0,0,0,0|2,1,0]=4 751 B7R0.4 CC(=O)COCCO 34a_100000211253_100000211926 [1,0,0,0,0,0|2,1,0]=4 752 B7R0.4 CC(=O)CSCC#N 1458a_100000150266_200000210301 [1,0,0,0,0,0|3,0,0]=4 753 B7R0.4 CC(=O)NCCC#N 11a_100000720768_100015343762 [1,0,0,0,0,0|2,0,1]=4 754 B7R0.4 CC(=O)NCCC#N 1626a_100000720768_100015343762 [1,0,0,0,0,0|2,0,1]=4 755 B7R0.4 CC(=O)NCCC#N 240690a_100000720768_100015343762 [1,0,0,0,0,0|2,0,1]=4 756 B7R0.4 CC(=O)NCCC#N 527a_100000720768_100103153847 [1,0,0,0,0,0|2,0,1]=4 757 B7R0.4 CC(=O)NCCCF 11a_100015189416_100015343762 [1,0,0,0,0,0|2,0,0]=3 758 B7R0.4 CC(=O)NCCCF 1626a_100015189416_100015343762 [1,0,0,0,0,0|2,0,0]=3 759 B7R0.4 CC(=O)NCCCF 240690a_100015189416_100015343762 [1,0,0,0,0,0|2,0,0]=3 760 B7R0.4 CC(=O)NCCCF 527a_100015189416_100103153847 [1,0,0,0,0,0|2,0,0]=3 761 B7R0.4 CC(=O)NCCCO 240690a_100000182051_100015343762 [1,0,0,0,0,0|1,1,0]=3 762 B7R0.4 CC(=O)NCCCO 527a_100000182051_100103153847 [1,0,0,0,0,0|1,1,0]=3 763 B7R0.4 CC(=O)NCCN[13CH3] 2230a_100000209853_200025704644 [1,0,0,0,0,0|2,0,0]=3 764 B7R0.4 CC(=O)NCCO[13CH3] 34a_100000158858_200025704644 [1,0,0,0,0,0|1,1,0]=3 765 B7R0.4 CC(=O)NCCS[13CH3] 62a_100000189650_200025704644 [1,0,0,0,0,0|1,0,0]=2 766 B7R0.4 CC(=O)NCCS[13CH3] 62a_200025704644_100000189650 [1,0,0,0,0,0|1,0,0]=2 767 B7R0.4 CC(=O)NNCCO 22a_100000210001_100000070787 [1,0,0,0,0,0|2,1,0]=4 768 B7R0.4 CC(=O)OCCS[13CH3] 62a_100009814007_200025704644 [1,0,0,0,0,0|0,0,0]=1 769 B7R0.4 CC(=O)OCCS[13CH3] 62a_200025704644_100009814007 [1,0,0,0,0,0|0,0,0]=1 770 B7R0.4 CC(=O)OCSCF 62a_100000076356_100015361967 [1,0,0,0,0,0|2,0,0]=3 771 B7R0.4 CC(=O)OCSCF 62a_100015361967_100000076356 [1,0,0,0,0,0|2,0,0]=3 772 B7R0.4 CC(C)CCCN[13CH3] 2230a_200000737386_200025704644 [1,0,0,0,0,0|2,0,1]=4 773 B7R0.4 CC(C)CCCN[13CH3] 34a_200000737386_200025704644 [1,0,0,0,0,0|2,0,1]=4 774 B7R0.4 CC(C)CCCO[13CH3] 34a_100000210774_200025704644 [1,0,0,0,0,0|1,1,1]=4 775 B7R0.4 CC(C)CCCO[13CH3] 7a_100000210774_200025704644 [1,0,0,0,0,0|1,1,1]=4 776 B7R0.4 CC(C)CCCS[13CH3] 62a_100011214892_200025704644 [1,0,0,0,0,0|1,0,1]=3 777 B7R0.4 CC(C)CCCS[13CH3] 62a_200025704644_100011214892 [1,0,0,0,0,0|1,0,1]=3 778 B7R0.4 CC(C)OCCCBr 34a_100011217188_100000210206 [1,0,0,0,0,0|2,0,1]=4 779 B7R0.4 CC(C)OCCCCl 34a_100000230001_100000210206 [1,0,0,0,0,0|2,0,1]=4 780 B7R0.4 CC(C)OCCCF 34a_100000212225_100011934791 [1,0,0,0,0,0|2,0,1]=4 781 B7R0.4 CC(C)OCCCF 34a_100000759539_100000210206 [1,0,0,0,0,0|2,0,1]=4 782 B7R0.4 CC(C)OCCCN 34a_100000182051_100000210206 [1,0,0,0,0,0|2,0,1]=4 783 B7R0.4 CC(C)OCCCO 34a_100000212225_100000230001 [1,0,0,0,0,0|1,1,1]=4 784 B7R0.4 CC(C)OCCN[13CH3] 2230a_100000701111_200025704644 [1,0,0,0,0,0|2,0,1]=4 785 B7R0.4 CC(C)OCCN[13CH3] 34a_100000701111_200025704644 [1,0,0,0,0,0|2,0,1]=4 786 B7R0.4 CC(C)OCCO[13CH3] 34a_100000211219_200025704644 [1,0,0,0,0,0|1,1,1]=4 787 B7R0.4 CC(C)OCCO[13CH3] 7a_100000211219_200025704644 [1,0,0,0,0,0|1,1,1]=4 788 B7R0.4 CC(C)OCCS[13CH3] 62a_100000211751_200025704644 [1,0,0,0,0,0|1,0,1]=3 789 B7R0.4 CC(C)OCCS[13CH3] 62a_200025704644_100000211751 [1,0,0,0,0,0|1,0,1]=3 790 B7R0.4 CC(C)SCCS[13CH3] 62a_100000730970_200025704644 [1,0,0,0,0,0|1,1,1]=4 791 B7R0.4 CC(C)SCCS[13CH3] 62a_200025704644_100000730970 [1,0,0,0,0,0|1,1,1]=4 792 B7R0.4 CC(O)CCCS[13CH3] 62a_200000718107_200025704644 [1,0,0,0,0,0|0,0,2]=3 793 B7R0.4 CC(O)CCCS[13CH3] 62a_200025704644_200000718107 [1,0,0,0,0,0|0,0,2]=3 794 B7R0.4 CC/C=C/CC(=O)C 1458a_100016274230_200000210301 [1,0,0,0,0,0|1,0,2]=4 795 B7R0.4 CC/C=C/CC(=O)[13CH3] 1458a_100016274230_200025704644 [1,0,0,0,0,0|1,0,2]=4 796 B7R0.4 CC/C=C\CC(=O)C 1458a_100000070787_100103147603 [1,0,0,0,0,0|1,0,2]=4 797 B7R0.4 CCC#CCC(=O)C 1458a_100000070787_100009813939 [1,0,0,0,0,0|1,0,2]=4 798 B7R0.4 CCC=NNC(=O)C 4a_100000189765_100000210100 [1,0,0,0,0,0|2,0,1]=4 799 B7R0.4 CCCC#CC(=O)C 1458a_200011218047_200000210301 [1,0,0,0,0,0|1,0,1]=3 800 B7R0.4 CCCC#CC(=O)[13CH3] 1458a_200011218047_200025704644 [1,0,0,0,0,0|1,0,1]=3 801 B7R0.4 CCCC=CC(=O)C 1458a_100000212230_200000210301 [1,0,0,0,0,0|1,0,1]=3 802 B7R0.4 CCCC=CC(=O)[13CH3] 1458a_100000212230_200025704644 [1,0,0,0,0,0|1,0,1]=3 803 B7R0.4 CCCCCC(=O)C 1458a_100000070787_100000210326 [1,0,0,0,0,0|1,0,0]=2 804 B7R0.4 CCCCCC(=O)C 1458a_100000212188_200000210301 [1,0,0,0,0,0|1,0,0]=2 805 B7R0.4 CCCCCC(=O)[13CH3] 1458a_100000212188_200025704644 [1,0,0,0,0,0|1,0,0]=2 806 B7R0.4 CCCCCN(C)C 2230a_100000223495_200000210301 [1,0,0,0,0,0|3,0,0]=4 807 B7R0.4 CCCCCN(C)C 2230a_100102631434_100000210326 [1,0,0,0,0,0|3,0,0]=4 808 B7R0.4 CCCCCN(C)C 269982a_100000223495_200000210301 [1,0,0,0,0,0|3,0,0]=4 809 B7R0.4 CCCCCN(C)C 269982a_100102631434_100000210215 [1,0,0,0,0,0|3,0,0]=4 810 B7R0.4 CCCCCN(C)[13CH3] 2230a_100000223495_200025704644 [1,0,0,0,0,0|3,0,0]=4 811 B7R0.4 CCCCCN(C)[13CH3] 269982a_100000223495_200025704644 [1,0,0,0,0,0|3,0,0]=4 812 B7R0.4 CCCCNC(=O)C 11a_100000102301_100015343762 [1,0,0,0,0,0|1,0,0]=2 813 B7R0.4 CCCCNC(=O)C 1626a_100000102301_100015343762 [1,0,0,0,0,0|1,0,0]=2 814 B7R0.4 CCCCNC(=O)C 240690a_100000102301_100015343762 [1,0,0,0,0,0|1,0,0]=2 815 B7R0.4 CCCCNC(=O)C 527a_100000102301_100103153847 [1,0,0,0,0,0|1,0,0]=2 816 B7R0.4 CCCCNC(C)C 2230a_100000102301_100000210206 [1,0,0,0,0,0|2,0,1]=4 817 B7R0.4 CCCCNC(C)C 2230a_100138425928_100000210211 [1,0,0,0,0,0|2,0,1]=4 818 B7R0.4 CCCCNC(C)C 34a_100138425928_100000210210 [1,0,0,0,0,0|2,0,1]=4 819 B7R0.4 CCCCNC(C)C 7a_106832991798_100000210206 [1,0,0,0,0,0|2,0,1]=4 820 B7R0.4 CCCCOC(C)C 34a_100000210227_100000210206 [1,0,0,0,0,0|1,0,1]=3 821 B7R0.4 CCCCOC(C)C 34a_100000212225_100000210210 [1,0,0,0,0,0|1,0,1]=3 822 B7R0.4 CCCCOC(C)C 7a_100000210227_100000210206 [1,0,0,0,0,0|1,0,1]=3 823 B7R0.4 CCCCSC(C)C 62a_100000210206_100000210210 [1,0,0,0,0,0|1,1,1]=4 824 B7R0.4 CCCCSC(C)C 62a_100000210211_100000210206 [1,0,0,0,0,0|1,1,1]=4 825 B7R0.4 CCCNCC(=O)N 2230a_100000711301_100000210303 [1,0,0,0,0,0|3,0,0]=4 826 B7R0.4 CCCNCC(=O)O 269956a_100016091260_100000210207 [1,0,0,0,0,0|3,0,0]=4 827 B7R0.4 CCCNNC(=O)C 22a_100000740057_100000070787 [1,0,0,0,0,0|2,0,0]=3 828 B7R0.4 CCCOCC(=O)C 1458a_100000745993_200000210301 [1,0,0,0,0,0|2,0,0]=3 829 B7R0.4 CCCOCC(=O)C 34a_100000211253_100000210303 [1,0,0,0,0,0|2,0,0]=3 830 B7R0.4 CCCOCC(=O)N 34a_100000210258_100000187820 [1,0,0,0,0,0|3,0,0]=4 831 B7R0.4 CCCOCC(=O)[13CH3] 1458a_100000745993_200025704644 [1,0,0,0,0,0|2,0,0]=3 832 B7R0.4 CCCOCC(=O)[O-] 34a_100000210258_100020667443 [1,0,0,0,0,0|3,0,0]=4 833 B7R0.4 CCCSCC(=O)C 1458a_100000217233_200000210301 [1,0,0,0,0,0|2,0,0]=3 834 B7R0.4 CCCSCC(=O)N 62a_100000210303_100000747473 [1,0,0,0,0,0|3,0,0]=4 835 B7R0.4 CCCSCC(=O)N 62a_100000747473_100000210303 [1,0,0,0,0,0|3,0,0]=4 836 B7R0.4 CCCSCC(=O)[13CH3] 1458a_100000217233_200025704644 [1,0,0,0,0,0|2,0,0]=3 837 B7R0.4 CCCSCC(=O)[O-] 62a_100000210303_100020667443 [1,0,0,0,0,0|3,0,0]=4 838 B7R0.4 CCCSCC(=O)[O-] 62a_100020667443_100000210303 [1,0,0,0,0,0|3,0,0]=4 839 B7R0.4 CCNCC=C(C)C 2230a_100015525214_100000761012 [1,0,0,0,0,0|3,0,0]=4 840 B7R0.4 CCNCC=C(C)C 34a_100000718196_100000210202 [1,0,0,0,0,0|3,0,0]=4 841 B7R0.4 CCNCCC(=O)N 2230a_100015525214_100000744528 [1,0,0,0,0,0|3,0,0]=4 842 B7R0.4 CCNCOC(C)C 2230a_100015525214_100000709892 [1,0,0,0,0,0|2,0,1]=4 843 B7R0.4 CCOC=CC(=O)C 1458a_100016266692_200000210301 [1,0,0,0,0,0|2,0,1]=4 844 B7R0.4 CCOC=CC(=O)[13CH3] 1458a_100016266692_200025704644 [1,0,0,0,0,0|2,0,1]=4 845 B7R0.4 CCOCC=C(C)C 34a_100000753907_100000210202 [1,0,0,0,0,0|3,0,0]=4 846 B7R0.4 CCOCC=C(C)C 34a_100121572206_100000761012 [1,0,0,0,0,0|3,0,0]=4 847 B7R0.4 CCOCCC(=O)C 1458a_100000070787_100011215890 [1,0,0,0,0,0|2,0,0]=3 848 B7R0.4 CCOCCC(=O)C 1458a_100000749530_200000210301 [1,0,0,0,0,0|2,0,0]=3 849 B7R0.4 CCOCCC(=O)C 34a_100000759926_100000210202 [1,0,0,0,0,0|2,0,0]=3 850 B7R0.4 CCOCCC(=O)C 7a_100000759926_100000210202 [1,0,0,0,0,0|2,0,0]=3 851 B7R0.4 CCOCCC(=O)N 34a_100000757172_100000210202 [1,0,0,0,0,0|3,0,0]=4 852 B7R0.4 CCOCCC(=O)N 34a_100121572206_100000731001 [1,0,0,0,0,0|3,0,0]=4 853 B7R0.4 CCOCCC(=O)N 7a_100000757172_100000210202 [1,0,0,0,0,0|3,0,0]=4 854 B7R0.4 CCOCCC(=O)[13CH3] 1458a_100000749530_200025704644 [1,0,0,0,0,0|2,0,0]=3 855 B7R0.4 CCOCOC(=O)C 34a_100121572206_100009813279 [1,0,0,0,0,0|1,0,0]=2 856 B7R0.4 CCOCOC(C)C 34a_100121572206_100000709892 [1,0,0,0,0,0|2,0,1]=4 857 B7R0.4 CCSCC=C(C)C 62a_100000210202_100000761012 [1,0,0,0,0,0|3,0,0]=4 858 B7R0.4 CCSCC=C(C)C 62a_100000761012_100000210202 [1,0,0,0,0,0|3,0,0]=4 859 B7R0.4 CCSCCC(=O)C 1458a_100000070787_100000757381 [1,0,0,0,0,0|2,0,0]=3 860 B7R0.4 CCSCCC(=O)C 1458a_100000230768_200000210301 [1,0,0,0,0,0|2,0,0]=3 861 B7R0.4 CCSCCC(=O)C 62a_100000053229_100000210202 [1,0,0,0,0,0|2,0,0]=3 862 B7R0.4 CCSCCC(=O)C 62a_100000210202_100000053229 [1,0,0,0,0,0|2,0,0]=3 863 B7R0.4 CCSCCC(=O)N 62a_100000210202_100000744528 [1,0,0,0,0,0|3,0,0]=4 864 B7R0.4 CCSCCC(=O)N 62a_100000744528_100000210202 [1,0,0,0,0,0|3,0,0]=4 865 B7R0.4 CCSCCC(=O)[13CH3] 1458a_100000230768_200025704644 [1,0,0,0,0,0|2,0,0]=3 866 B7R0.4 CCSCOC(=O)C 62a_100000076356_100000210202 [1,0,0,0,0,0|1,0,0]=2 867 B7R0.4 CCSCOC(=O)C 62a_100000210202_100000076356 [1,0,0,0,0,0|1,0,0]=2 868 B7R0.4 CCSCOC(C)C 62a_100000210202_100000709892 [1,0,0,0,0,0|2,0,1]=4 869 B7R0.4 CCSCOC(C)C 62a_100000709892_100000210202 [1,0,0,0,0,0|2,0,1]=4 870 B7R0.4 CN(C)CCCS[13CH3] 62a_200025704644_100000757444 [1,0,0,0,0,0|2,0,0]=3 871 B7R0.4 CNCCC=C(C)C 2230a_106832991635_100011217483 [1,0,0,0,0,0|2,0,1]=4 872 B7R0.4 CNCCC=C(C)C 34a_100102657272_100011217483 [1,0,0,0,0,0|2,0,1]=4 873 B7R0.4 CNCCC=C(C)C 7a_106832991635_100011217483 [1,0,0,0,0,0|2,0,1]=4 874 B7R0.4 CNCCCC(=O)C 34a_100102657272_100000685027 [1,0,0,0,0,0|1,0,0]=2 875 B7R0.4 CNCCCC(=O)C 7a_106832991635_100011215641 [1,0,0,0,0,0|1,0,0]=2 876 B7R0.4 CNCCCC(=O)N 34a_100000739312_200000210301 [1,0,0,0,0,0|2,0,0]=3 877 B7R0.4 CNCCCC(=O)N 34a_100102657272_100102525003 [1,0,0,0,0,0|2,0,0]=3 878 B7R0.4 CNCCCC(=O)N 7a_106832991635_100102525003 [1,0,0,0,0,0|2,0,0]=3 879 B7R0.4 CNCCCC(C)C 2230a_106832991635_100011214892 [1,0,0,0,0,0|2,0,1]=4 880 B7R0.4 CNCCCC(C)C 2230a_200000737386_200000210301 [1,0,0,0,0,0|2,0,1]=4 881 B7R0.4 CNCCCC(C)C 34a_100102657272_100011214892 [1,0,0,0,0,0|2,0,1]=4 882 B7R0.4 CNCCCC(C)C 34a_200000737386_200000210301 [1,0,0,0,0,0|2,0,1]=4 883 B7R0.4 CNCCCC(C)C 7a_106832991635_100011214892 [1,0,0,0,0,0|2,0,1]=4 884 B7R0.4 CNCCCC(C)O 2230a_106832991635_200000718107 [1,0,0,0,0,0|1,0,2]=4 885 B7R0.4 CNCCCC(C)O 34a_100102657272_200000718107 [1,0,0,0,0,0|1,0,2]=4 886 B7R0.4 CNCCCC(C)O 7a_106832991635_200000718107 [1,0,0,0,0,0|1,0,2]=4 887 B7R0.4 CNCCCN(C)C 7a_106832991635_100000757444 [1,0,0,0,0,0|3,0,0]=4 888 B7R0.4 CNCCCS(=O)C 2230a_200000753449_200000210301 [1,0,0,0,0,0|2,0,0]=3 889 B7R0.4 CNCCNC(=O)C 2230a_100000209853_200000210301 [1,0,0,0,0,0|2,0,0]=3 890 B7R0.4 CNCCNC(=O)C 2230a_106832991635_100000189650 [1,0,0,0,0,0|2,0,0]=3 891 B7R0.4 CNCCNC(=O)C 7a_106832991635_100000189650 [1,0,0,0,0,0|2,0,0]=3 892 B7R0.4 CNCCNC(=O)N 2230a_106832991635_200000034859 [1,0,0,0,0,0|3,0,0]=4 893 B7R0.4 CNCCNC(=O)N 34a_100020590234_200000210301 [1,0,0,0,0,0|3,0,0]=4 894 B7R0.4 CNCCNC(=O)N 7a_106832991635_200000034859 [1,0,0,0,0,0|3,0,0]=4 895 B7R0.4 CNCCOC(=O)C 34a_100102657272_100009814007 [1,0,0,0,0,0|1,0,0]=2 896 B7R0.4 CNCCOC(=O)C 7a_106832991635_100009814007 [1,0,0,0,0,0|1,0,0]=2 897 B7R0.4 CNCCOC(=O)N 34a_100102657272_200011214921 [1,0,0,0,0,0|2,0,0]=3 898 B7R0.4 CNCCOC(=O)N 7a_106832991635_200011214921 [1,0,0,0,0,0|2,0,0]=3 899 B7R0.4 CNCCOC(C)C 2230a_100000701111_200000210301 [1,0,0,0,0,0|2,0,1]=4 900 B7R0.4 CNCCOC(C)C 2230a_106832991635_100000211751 [1,0,0,0,0,0|2,0,1]=4 901 B7R0.4 CNCCOC(C)C 34a_100000701111_200000210301 [1,0,0,0,0,0|2,0,1]=4 902 B7R0.4 CNCCOC(C)C 34a_100102657272_100000211751 [1,0,0,0,0,0|2,0,1]=4 903 B7R0.4 CNCCOC(C)C 7a_106832991635_100000211751 [1,0,0,0,0,0|2,0,1]=4 904 B7R0.4 COCC=CC(=O)C 1458a_100016285016_200000210301 [1,0,0,0,0,0|0,1,2]=4 905 B7R0.4 COCC=CC(=O)[13CH3] 1458a_100016285016_200025704644 [1,0,0,0,0,0|0,1,2]=4 906 B7R0.4 COCCC=C(C)C 34a_100138415774_100011217483 [1,0,0,0,0,0|1,1,1]=4 907 B7R0.4 COCCCC(=O)C 1458a_100000070787_100000740836 [1,0,0,0,0,0|0,1,0]=2 908 B7R0.4 COCCCC(=O)C 1458a_100000741012_200000210301 [1,0,0,0,0,0|0,1,0]=2 909 B7R0.4 COCCCC(=O)C 34a_100000759063_200000210301 [1,0,0,0,0,0|0,1,0]=2 910 B7R0.4 COCCCC(=O)C 34a_100138415774_100000685027 [1,0,0,0,0,0|0,1,0]=2 911 B7R0.4 COCCCC(=O)C 7a_100000759063_200000210301 [1,0,0,0,0,0|0,1,0]=2 912 B7R0.4 COCCCC(=O)N 34a_100138415774_100102525003 [1,0,0,0,0,0|1,1,0]=3 913 B7R0.4 COCCCC(=O)[13CH3] 1458a_100000741012_200025704644 [1,0,0,0,0,0|0,1,0]=2 914 B7R0.4 COCCCC(C)C 34a_100000210774_200000210301 [1,0,0,0,0,0|1,1,1]=4 915 B7R0.4 COCCCC(C)C 34a_100138415774_100011214892 [1,0,0,0,0,0|1,1,1]=4 916 B7R0.4 COCCCC(C)C 7a_100000210774_200000210301 [1,0,0,0,0,0|1,1,1]=4 917 B7R0.4 COCCCC(C)O 34a_100138415774_200000718107 [1,0,0,0,0,0|0,1,2]=4 918 B7R0.4 COCCCN(C)C 2230a_100000224831_200000210301 [1,0,0,0,0,0|2,1,0]=4 919 B7R0.4 COCCCN(C)C 2230a_100102631434_100000740836 [1,0,0,0,0,0|2,1,0]=4 920 B7R0.4 COCCCN(C)C 269982a_100000224831_200000210301 [1,0,0,0,0,0|2,1,0]=4 921 B7R0.4 COCCCN(C)C 269982a_100102631434_100000740836 [1,0,0,0,0,0|2,1,0]=4 922 B7R0.4 COCCCN(C)[13CH3] 2230a_100000224831_200025704644 [1,0,0,0,0,0|2,1,0]=4 923 B7R0.4 COCCCN(C)[13CH3] 269982a_100000224831_200025704644 [1,0,0,0,0,0|2,1,0]=4 924 B7R0.4 COCCC[N+](=O)[O-] 34a_200000037920_200000210301 [1,0,0,0,0,0|2,1,0]=4 925 B7R0.4 COCCNC(=O)C 1626a_100000209980_100015343762 [1,0,0,0,0,0|1,1,0]=3 926 B7R0.4 COCCNC(=O)C 240690a_100000209980_100015343762 [1,0,0,0,0,0|1,1,0]=3 927 B7R0.4 COCCNC(=O)C 34a_100000158858_200000210301 [1,0,0,0,0,0|1,1,0]=3 928 B7R0.4 COCCNC(=O)C 527a_100000209980_100103153847 [1,0,0,0,0,0|1,1,0]=3 929 B7R0.4 COCCNC(=O)N 34a_100000181757_200000210301 [1,0,0,0,0,0|2,1,0]=4 930 B7R0.4 COCCOC(=O)C 34a_100138415774_100009814007 [1,0,0,0,0,0|0,1,0]=2 931 B7R0.4 COCCOC(=O)N 34a_100138415774_200011214921 [1,0,0,0,0,0|1,1,0]=3 932 B7R0.4 COCCOC(=O)N 7a_100000766696_200000210301 [1,0,0,0,0,0|1,1,0]=3 933 B7R0.4 COCCOC(C)C 34a_100000210237_100000210206 [1,0,0,0,0,0|1,1,1]=4 934 B7R0.4 COCCOC(C)C 34a_100000211219_200000210301 [1,0,0,0,0,0|1,1,1]=4 935 B7R0.4 COCCOC(C)C 34a_100000212225_100011201679 [1,0,0,0,0,0|1,1,1]=4 936 B7R0.4 COCCOC(C)C 34a_100138415774_100000211751 [1,0,0,0,0,0|1,1,1]=4 937 B7R0.4 COCCOC(C)C 7a_100000211219_200000210301 [1,0,0,0,0,0|1,1,1]=4 938 B7R0.4 COCNCC(=O)N 2230a_100000711301_100000766300 [1,0,0,0,0,0|2,1,0]=4 939 B7R0.4 COCNCC(=O)O 269956a_100016091260_100000766300 [1,0,0,0,0,0|2,1,0]=4 940 B7R0.4 COCSCC(=O)N 62a_100000747473_100000766300 [1,0,0,0,0,0|2,1,0]=4 941 B7R0.4 COCSCC(=O)N 62a_100000766300_100000747473 [1,0,0,0,0,0|2,1,0]=4 942 B7R0.4 COCSCC(=O)[O-] 62a_100000766300_100020667443 [1,0,0,0,0,0|2,1,0]=4 943 B7R0.4 COCSCC(=O)[O-] 62a_100020667443_100000766300 [1,0,0,0,0,0|2,1,0]=4 944 B7R0.4 CS(=O)CCCN[13CH3] 2230a_200000753449_200025704644 [1,0,0,0,0,0|2,0,0]=3 945 B7R0.4 CSCCC=C(C)C 62a_100011217483_200000210301 [1,0,0,0,0,0|1,0,1]=3 946 B7R0.4 CSCCC=C(C)C 62a_200000210301_100011217483 [1,0,0,0,0,0|1,0,1]=3 947 B7R0.4 CSCCC=C(F)F 62a_200000210301_200009816681 [1,0,0,0,0,0|2,0,1]=4 948 B7R0.4 CSCCC=C(F)F 62a_200009816681_200000210301 [1,0,0,0,0,0|2,0,1]=4 949 B7R0.4 CSCCCC(=O)C 1458a_100000173376_200000210301 [1,0,0,0,0,0|0,0,0]=1 950 B7R0.4 CSCCCC(=O)C 62a_100011215641_200000210301 [1,0,0,0,0,0|0,0,0]=1 951 B7R0.4 CSCCCC(=O)C 62a_200000210301_100011215641 [1,0,0,0,0,0|0,0,0]=1 952 B7R0.4 CSCCCC(=O)N 62a_100102525003_200000210301 [1,0,0,0,0,0|1,0,0]=2 953 B7R0.4 CSCCCC(=O)N 62a_200000210301_100102525003 [1,0,0,0,0,0|1,0,0]=2 954 B7R0.4 CSCCCC(=O)[13CH3] 1458a_100000173376_200025704644 [1,0,0,0,0,0|0,0,0]=1 955 B7R0.4 CSCCCC(C)C 62a_100011214892_200000210301 [1,0,0,0,0,0|1,0,1]=3 956 B7R0.4 CSCCCC(C)C 62a_200000210301_100011214892 [1,0,0,0,0,0|1,0,1]=3 957 B7R0.4 CSCCCC(C)O 62a_200000210301_200000718107 [1,0,0,0,0,0|0,0,2]=3 958 B7R0.4 CSCCCC(C)O 62a_200000718107_200000210301 [1,0,0,0,0,0|0,0,2]=3 959 B7R0.4 CSCCCN(C)C 62a_200000210301_100000757444 [1,0,0,0,0,0|2,0,0]=3 960 B7R0.4 CSCCNC(=O)C 11a_100020590264_100015343762 [1,0,0,0,0,0|1,0,0]=2 961 B7R0.4 CSCCNC(=O)C 1626a_100020590264_100015343762 [1,0,0,0,0,0|1,0,0]=2 962 B7R0.4 CSCCNC(=O)C 240690a_100020590264_100015343762 [1,0,0,0,0,0|1,0,0]=2 963 B7R0.4 CSCCNC(=O)C 527a_100020590264_100103153847 [1,0,0,0,0,0|1,0,0]=2 964 B7R0.4 CSCCNC(=O)C 62a_100000189650_200000210301 [1,0,0,0,0,0|1,0,0]=2 965 B7R0.4 CSCCNC(=O)C 62a_200000210301_100000189650 [1,0,0,0,0,0|1,0,0]=2 966 B7R0.4 CSCCNC(=O)N 62a_200000034859_200000210301 [1,0,0,0,0,0|2,0,0]=3 967 B7R0.4 CSCCNC(=O)N 62a_200000210301_200000034859 [1,0,0,0,0,0|2,0,0]=3 968 B7R0.4 CSCCNC(C)C 2230a_100020590264_100000210206 [1,0,0,0,0,0|2,0,1]=4 969 B7R0.4 CSCCNC(C)C 2230a_100138425928_100000751147 [1,0,0,0,0,0|2,0,1]=4 970 B7R0.4 CSCCNC(C)C 34a_100138425928_100000212216 [1,0,0,0,0,0|2,0,1]=4 971 B7R0.4 CSCCOC(=O)C 62a_100009814007_200000210301 [1,0,0,0,0,0|0,0,0]=1 972 B7R0.4 CSCCOC(=O)C 62a_200000210301_100009814007 [1,0,0,0,0,0|0,0,0]=1 973 B7R0.4 CSCCOC(=O)N 62a_200000210301_200011214921 [1,0,0,0,0,0|1,0,0]=2 974 B7R0.4 CSCCOC(=O)N 62a_200011214921_200000210301 [1,0,0,0,0,0|1,0,0]=2 975 B7R0.4 CSCCOC(C)C 34a_100000212225_100000212216 [1,0,0,0,0,0|1,0,1]=3 976 B7R0.4 CSCCOC(C)C 34a_100000230434_100000210206 [1,0,0,0,0,0|1,0,1]=3 977 B7R0.4 CSCCOC(C)C 62a_100000211751_200000210301 [1,0,0,0,0,0|1,0,1]=3 978 B7R0.4 CSCCOC(C)C 62a_200000210301_100000211751 [1,0,0,0,0,0|1,0,1]=3 979 B7R0.4 CSCCOC(C)C 7a_100000230434_100000210206 [1,0,0,0,0,0|1,0,1]=3 980 B7R0.4 CSCCSC(C)C 62a_100000210206_100000751147 [1,0,0,0,0,0|1,1,1]=4 981 B7R0.4 CSCCSC(C)C 62a_100000212216_100000210206 [1,0,0,0,0,0|1,1,1]=4 982 B7R0.4 CSCCSC(C)C 62a_100000730970_200000210301 [1,0,0,0,0,0|1,1,1]=4 983 B7R0.4 CSCCSC(C)C 62a_200000210301_100000730970 [1,0,0,0,0,0|1,1,1]=4 984 B7R0.4 CSCNCC(=O)N 2230a_100000711301_100011218213 [1,0,0,0,0,0|2,0,0]=3 985 B7R0.4 CSCNCC(=O)O 269956a_100016091260_100011218213 [1,0,0,0,0,0|2,0,0]=3 986 B7R0.4 CSCNCC(C)C 2230a_100000210953_100011218213 [1,0,0,0,0,0|2,0,1]=4 987 B7R0.4 CSCNCC(C)C 34a_100000210953_100011218213 [1,0,0,0,0,0|2,0,1]=4 988 B7R0.4 CSCNCC(C)O 2230a_100000210904_100011218213 [1,0,0,0,0,0|1,0,2]=4 989 B7R0.4 CSCNCC(C)O 34a_100000210904_100011218213 [1,0,0,0,0,0|1,0,2]=4 990 B7R0.4 CSCOCC(=O)C 34a_100000211253_100011218213 [1,0,0,0,0,0|1,0,0]=2 991 B7R0.4 CSCOCC(C)Br 34a_100012180447_100011218213 [1,0,0,0,0,0|2,0,1]=4 992 B7R0.4 CSCOCC(C)C 34a_100000210257_100011218213 [1,0,0,0,0,0|2,0,1]=4 993 B7R0.4 CSCOCC(C)F 34a_100015925927_100011218213 [1,0,0,0,0,0|2,0,1]=4 994 B7R0.4 CSCOC[C@@H](C)Cl 34a_100016084084_100011218213 [1,0,0,0,0,0|2,0,1]=4 995 B7R0.4 CSCOC[C@@H](C)N 34a_100000737577_100011218213 [1,0,0,0,0,0|2,0,1]=4 996 B7R0.4 CSCSCC(=O)N 62a_100000747473_100011218213 [1,0,0,0,0,0|2,0,0]=3 997 B7R0.4 CSCSCC(=O)N 62a_100011218213_100000747473 [1,0,0,0,0,0|2,0,0]=3 998 B7R0.4 CSCSCC(=O)[O-] 62a_100011218213_100020667443 [1,0,0,0,0,0|2,0,0]=3 999 B7R0.4 CSCSCC(=O)[O-] 62a_100020667443_100011218213 [1,0,0,0,0,0|2,0,0]=3 1000 B7R0.4 CSCSCC(C)C 62a_100000210624_100011218213 [1,0,0,0,0,0|2,0,1]=4 1001 B7R0.4 CSCSCC(C)C 62a_100011218213_100000210760 [1,0,0,0,0,0|2,0,1]=4 1002 B7R0.4 CSCSCC(C)O 62a_100011218213_100011218427 [1,0,0,0,0,0|1,0,2]=4 1003 B7R0.4 CSCSCC(C)O 62a_100011218427_100011218213 [1,0,0,0,0,0|1,0,2]=4 1004 B7R0.4 CSCSC[C@@H](C)O 62a_100009817552_100011218213 [1,0,0,0,0,0|1,0,2]=4 1005 B7R0.4 CSCSC[C@@H](C)O 62a_100011218213_100009817552 [1,0,0,0,0,0|1,0,2]=4 1006 B7R0.4 CSCSC[N+](=O)[O-] 62a_100011218213_100000761209 [1,0,0,0,0,0|3,0,0]=4 1007 B7R0.4 [13CH3]C(=O)CCCC#N 1458a_100000075515_200025704644 [1,0,0,0,0,0|2,0,0]=3 1008 B7R0.4 [13CH3]C(=O)CCCCO 1458a_100000695505_200025704644 [1,0,0,0,0,0|1,1,0]=3 1009 B7R0.4 [13CH3]C(=O)CCN=[N+]=[N-] 1458a_100000688302_200025704644 [1,0,0,0,0,0|3,0,0]=4 1010 B7R0.4 [13CH3]C(=O)COCCO 1458a_100000708028_200025704644 [1,0,0,0,0,0|2,1,0]=4 1011 B7R0.4 [13CH3]C(=O)CSCC#N 1458a_100000150266_200025704644 [1,0,0,0,0,0|3,0,0]=4 1012 B7R0.4 [13CH3]NCCCC(=O)N 34a_100000739312_200025704644 [1,0,0,0,0,0|2,0,0]=3 1013 B7R0.4 [13CH3]NCCNC(=O)N 34a_100020590234_200025704644 [1,0,0,0,0,0|3,0,0]=4 1014 B7R0.4 [13CH3]OCCC[N+](=O)[O-] 34a_200000037920_200025704644 [1,0,0,0,0,0|2,1,0]=4 1015 B7R0.4 [13CH3]OCCNC(=O)N 34a_100000181757_200025704644 [1,0,0,0,0,0|2,1,0]=4 1016 B7R0.4 [13CH3]OCCOC(=O)N 7a_100000766696_200025704644 [1,0,0,0,0,0|1,1,0]=3 1017 B7R0.4 [13CH3]SCCC=C(F)F 62a_200009816681_200025704644 [1,0,0,0,0,0|2,0,1]=4 1018 B7R0.4 [13CH3]SCCC=C(F)F 62a_200025704644_200009816681 [1,0,0,0,0,0|2,0,1]=4 1019 B7R0.4 [13CH3]SCCCC(=O)N 62a_100102525003_200025704644 [1,0,0,0,0,0|1,0,0]=2 1020 B7R0.4 [13CH3]SCCCC(=O)N 62a_200025704644_100102525003 [1,0,0,0,0,0|1,0,0]=2 1021 B7R0.4 [13CH3]SCCNC(=O)N 62a_200000034859_200025704644 [1,0,0,0,0,0|2,0,0]=3 1022 B7R0.4 [13CH3]SCCNC(=O)N 62a_200025704644_200000034859 [1,0,0,0,0,0|2,0,0]=3 1023 B7R0.4 [13CH3]SCCOC(=O)N 62a_200011214921_200025704644 [1,0,0,0,0,0|1,0,0]=2 1024 B7R0.4 [13CH3]SCCOC(=O)N 62a_200025704644_200011214921 [1,0,0,0,0,0|1,0,0]=2 1025 B9R0.1 C#CC(=O)CCOC(=O)C 1458a_100000211873_100009814007 [0,1,0,0,0,0|1,0,2]=4 1026 B9R0.1 C#CC(C)NCOC(=O)C 34a_100000707721_100009813279 [0,1,0,0,0,0|2,0,1]=4 1027 B9R0.1 C#CC(C)SCOC(=O)C 62a_200000035995_100000076356 [0,1,0,0,0,0|2,0,1]=4 1028 B9R0.1 C#C[C@@H](C)OCOC(=O)C 34a_100009815206_100009813279 [0,1,0,0,0,0|2,0,1]=4 1029 B9R0.1 C=CC(=O)CCOC(=O)C 1458a_100000185746_100009814007 [0,1,0,0,0,0|1,0,2]=4 1030 B9R0.1 C=CC(C)OCOC(=O)C 34a_100000695699_100009813279 [0,1,0,0,0,0|2,0,1]=4 1031 B9R0.1 C=CC(C)SCOC(=O)C 62a_100011215867_100000076356 [0,1,0,0,0,0|2,0,1]=4 1032 B9R0.1 CC(=CCCC(C)O[13CH3])C 34a_100102619829_200025704644 [0,1,0,0,0,0|2,1,0]=4 1033 B9R0.1 CC(=CCCC(C)O[13CH3])C 7a_100102619829_200025704644 [0,1,0,0,0,0|2,1,0]=4 1034 B9R0.1 CC(=O)NCCC(C)CO 240690a_106354213184_100015343762 [0,1,0,0,0,0|3,0,0]=4 1035 B9R0.1 CC(=O)NCCC(C)CO 527a_106354213184_100103153847 [0,1,0,0,0,0|3,0,0]=4 1036 B9R0.1 CC(=O)OCCC(=O)CO 1458a_100000210174_100009814007 [0,1,0,0,0,0|2,0,1]=4 1037 B9R0.1 CC(=O)OCOC(C)C#N 34a_100011218135_100009813279 [0,1,0,0,0,0|3,0,0]=4 1038 B9R0.1 CC(=O)OCOC(C)CF 34a_100016041109_100009813279 [0,1,0,0,0,0|3,0,0]=4 1039 B9R0.1 CC(=O)OCOC(C)CN 34a_100000210904_100009813279 [0,1,0,0,0,0|3,0,0]=4 1040 B9R0.1 CC(=O)OCSC(C)C#N 62a_100000076356_100000703298 [0,1,0,0,0,0|3,0,0]=4 1041 B9R0.1 CC(=O)OCSC(C)C#N 62a_100000703298_100000076356 [0,1,0,0,0,0|3,0,0]=4 1042 B9R0.1 CC(=O)OCSC(C)CO 62a_100012180447_100000076356 [0,1,0,0,0,0|3,0,0]=4 1043 B9R0.1 CC(=O)OCSC(F)C#N 62a_100000076356_200000117898 [0,1,0,0,0,0|3,0,0]=4 1044 B9R0.1 CC(=O)OCSC(F)C#N 62a_200000117898_100000076356 [0,1,0,0,0,0|3,0,0]=4 1045 B9R0.1 CC(=O)OCS[C@H](C)CO 62a_100000076356_100016084084 [0,1,0,0,0,0|3,0,0]=4 1046 B9R0.1 CC(=O)OCS[C@H](C)CO 62a_100016084084_100000076356 [0,1,0,0,0,0|3,0,0]=4 1047 B9R0.1 CC(CCCC(=O)[O-])O[13CH3] 7a_100000761597_200025704644 [0,1,0,0,0,0|2,1,0]=4 1048 B9R0.1 CCC(=O)CCCC(=O)C 1458a_100000210414_100011215641 [0,1,0,0,0,0|2,0,1]=4 1049 B9R0.1 CCC(=O)CCNC(=O)C 1458a_100000183196_100000210202 [0,1,0,0,0,0|2,0,1]=4 1050 B9R0.1 CCC(=O)CCNC(=O)C 1458a_100000210414_100000189650 [0,1,0,0,0,0|2,0,1]=4 1051 B9R0.1 CCC(=O)CCOC(=O)C 1458a_100000210414_100009814007 [0,1,0,0,0,0|1,0,1]=3 1052 B9R0.1 CCC(=O)CCOC(=O)N 1458a_100000210414_200011214921 [0,1,0,0,0,0|2,0,1]=4 1053 B9R0.1 CCC(=O)CCSC(=O)C 1458a_100000048949_100000210202 [0,1,0,0,0,0|1,1,1]=4 1054 B9R0.1 CCC(C)CCNC(=O)C 11a_100020591266_100015343762 [0,1,0,0,0,0|2,0,0]=3 1055 B9R0.1 CCC(C)CCNC(=O)C 1626a_100020591266_100015343762 [0,1,0,0,0,0|2,0,0]=3 1056 B9R0.1 CCC(C)CCNC(=O)C 240690a_100020591266_100015343762 [0,1,0,0,0,0|2,0,0]=3 1057 B9R0.1 CCC(C)CCNC(=O)C 527a_100020591266_100103153847 [0,1,0,0,0,0|2,0,0]=3 1058 B9R0.1 CCC(C)CCOC(C)C 7a_100011215188_100000210206 [0,1,0,0,0,0|2,0,1]=4 1059 B9R0.1 CCC(C)COCC(=O)C 34a_100000211253_100000748023 [0,1,0,0,0,0|3,0,0]=4 1060 B9R0.1 CCC(C)OCCC(=O)C 34a_100000759926_100011215416 [0,1,0,0,0,0|3,0,0]=4 1061 B9R0.1 CCC(C)OCCC(=O)C 7a_100000210228_100000053229 [0,1,0,0,0,0|3,0,0]=4 1062 B9R0.1 CCC(C)OCCC(=O)C 7a_100000759926_100000758301 [0,1,0,0,0,0|3,0,0]=4 1063 B9R0.1 CCC(C)SCCC(=O)C 62a_100000053229_100000758301 [0,1,0,0,0,0|3,0,0]=4 1064 B9R0.1 CCC(C)SCCC(=O)C 62a_100000758301_100000053229 [0,1,0,0,0,0|3,0,0]=4 1065 B9R0.1 CCC(C)SCOC(=O)C 62a_100000076356_100000758301 [0,1,0,0,0,0|2,0,0]=3 1066 B9R0.1 CCC(C)SCOC(=O)C 62a_100000758301_100000076356 [0,1,0,0,0,0|2,0,0]=3 1067 B9R0.1 CCC(O)CNNC(=O)C 22a_100015206393_100000070787 [0,1,0,0,0,0|3,0,0]=4 1068 B9R0.1 CCC(O)COCC(=O)C 34a_100000211253_100011218378 [0,1,0,0,0,0|3,0,0]=4 1069 B9R0.1 CCN(C)CCCC(=O)C 1458a_100000070787_100015186262 [0,1,0,0,0,0|3,0,0]=4 1070 B9R0.1 CCN(C)CCCC(=O)C 269982a_100000225621_100011215641 [0,1,0,0,0,0|3,0,0]=4 1071 B9R0.1 CCN(C)CCNC(=O)C 2230a_100000225621_100000189650 [0,1,0,0,0,0|3,0,0]=4 1072 B9R0.1 CCN(C)CCNC(=O)C 269982a_100000225621_100000189650 [0,1,0,0,0,0|3,0,0]=4 1073 B9R0.1 CCN(C)CCOC(=O)C 269982a_100000225621_100009814007 [0,1,0,0,0,0|2,0,0]=3 1074 B9R0.1 CCN(C)CCOC(=O)N 269982a_100000225621_200011214921 [0,1,0,0,0,0|3,0,0]=4 1075 B9R0.1 CC[C@H](C)COCC(=O)C 34a_100000211253_100009816398 [0,1,0,0,0,0|3,0,0]=4 1076 B9R0.1 CNC(=O)CCCC(=O)C 1458a_100000070787_100000741757 [0,1,0,0,0,0|2,0,1]=4 1077 B9R0.1 CNC(=O)CCNC(=O)C 11a_100000738227_100015343762 [0,1,0,0,0,0|2,0,1]=4 1078 B9R0.1 CNC(=O)CCNC(=O)C 11a_106832991635_100000183196 [0,1,0,0,0,0|2,0,1]=4 1079 B9R0.1 CNC(=O)CCNC(=O)C 1626a_100102657272_100000183196 [0,1,0,0,0,0|2,0,1]=4 1080 B9R0.1 CNC(=O)CCNC(=O)C 240690a_100000738227_100015343762 [0,1,0,0,0,0|2,0,1]=4 1081 B9R0.1 CNC(=O)CCNC(=O)C 240690a_100102657272_100000183196 [0,1,0,0,0,0|2,0,1]=4 1082 B9R0.1 CNC(=O)CCNC(=O)C 527a_100000738227_100103153847 [0,1,0,0,0,0|2,0,1]=4 1083 B9R0.1 CNC(=O)CCNC(=O)C 527a_100102657272_100000183196 [0,1,0,0,0,0|2,0,1]=4 1084 B9R0.1 CNC(=O)CCSC(=O)C 1626a_100102657272_100000048949 [0,1,0,0,0,0|1,1,1]=4 1085 B9R0.1 CNC(=O)CCSC(=O)C 240690a_100102657272_100000048949 [0,1,0,0,0,0|1,1,1]=4 1086 B9R0.1 CNC(C)CCC=C(C)C 270004a_106832991635_100000765506 [0,1,0,0,0,0|3,0,0]=4 1087 B9R0.1 CNC(C)CCOC(C)C 270004a_106832991635_200011219172 [0,1,0,0,0,0|2,0,1]=4 1088 B9R0.1 COC(=O)CCCC(=O)C 1458a_100000070787_100011218270 [0,1,0,0,0,0|1,1,1]=4 1089 B9R0.1 COC(=O)CCCC(=O)C 1458a_100000239890_200000210301 [0,1,0,0,0,0|1,1,1]=4 1090 B9R0.1 COC(=O)CCCC(=O)[13CH3] 1458a_100000239890_200025704644 [0,1,0,0,0,0|1,1,1]=4 1091 B9R0.1 COC(=O)CCNC(=O)C 188690a_100000683876_100015343762 [0,1,0,0,0,0|1,1,1]=4 1092 B9R0.1 COC(C)CCC=C(C)C 34a_100102619829_200000210301 [0,1,0,0,0,0|2,1,0]=4 1093 B9R0.1 COC(C)CCC=C(C)C 7a_100102619829_200000210301 [0,1,0,0,0,0|2,1,0]=4 1094 B9R0.1 COC(C)CCCC(=O)[O-] 7a_100000761597_200000210301 [0,1,0,0,0,0|2,1,0]=4 1095 B9R0.1 COC(C)CCOC(C)C 7a_100000764861_100000210206 [0,1,0,0,0,0|1,1,1]=4 1096 B9R0.1 COC(C)SCCC(=O)C 62a_100000053229_100009879195 [0,1,0,0,0,0|2,1,0]=4 1097 B9R0.1 COC(C)SCCC(=O)C 62a_100009879195_100000053229 [0,1,0,0,0,0|2,1,0]=4 1098 B9R0.1 COC(C)SCOC(=O)C 62a_100000076356_100009879195 [0,1,0,0,0,0|1,1,0]=3 1099 B9R0.1 COC(C)SCOC(=O)C 62a_100009879195_100000076356 [0,1,0,0,0,0|1,1,0]=3 1100 B9R0.2 C#CCCCCCC(=O)C 1458a_100000070787_100012094781 [0,1,0,0,0,0|2,0,1]=4 1101 B9R0.2 C#CCCCCCC(=O)C 1458a_100000694772_200000210301 [0,1,0,0,0,0|2,0,1]=4 1102 B9R0.2 C#CCCCCCC(=O)[13CH3] 1458a_100000694772_200025704644 [0,1,0,0,0,0|2,0,1]=4 1103 B9R0.2 C#CCCCCNC(=O)C 11a_100000706060_100015343762 [0,1,0,0,0,0|2,0,1]=4 1104 B9R0.2 C#CCCCCNC(=O)C 1626a_100000706060_100015343762 [0,1,0,0,0,0|2,0,1]=4 1105 B9R0.2 C#CCCCCNC(=O)C 240690a_100000706060_100015343762 [0,1,0,0,0,0|2,0,1]=4 1106 B9R0.2 C#CCCCCNC(=O)C 527a_100000706060_100103153847 [0,1,0,0,0,0|2,0,1]=4 1107 B9R0.2 C#CCCCOCC(=C)C 34a_100000210245_100000695029 [0,1,0,0,0,0|2,0,1]=4 1108 B9R0.2 C#CCCCOCC(=C)C 34a_100000215630_100000748629 [0,1,0,0,0,0|2,0,1]=4 1109 B9R0.2 C#CCCCOCC(=C)C 7a_100000215630_100000748629 [0,1,0,0,0,0|2,0,1]=4 1110 B9R0.2 C#CCCCOCC(=O)C 34a_100000211253_100000695029 [0,1,0,0,0,0|1,0,1]=3 1111 B9R0.2 C#CCCCOCC(=O)N 34a_100000215630_100000187820 [0,1,0,0,0,0|2,0,1]=4 1112 B9R0.2 C#CCCCOCC(=O)N 7a_100000215630_100000187820 [0,1,0,0,0,0|2,0,1]=4 1113 B9R0.2 C#CCCCOCC(=O)[O-] 34a_100000215630_100020667443 [0,1,0,0,0,0|2,0,1]=4 1114 B9R0.2 C#CCCNCOC(=O)C 34a_100000755551_100009813279 [0,1,0,0,0,0|1,0,1]=3 1115 B9R0.2 C#CCCOCCC(=O)C 34a_100000759926_100000688953 [0,1,0,0,0,0|2,0,1]=4 1116 B9R0.2 C#CCCOCCC(=O)C 7a_100000759926_100000688953 [0,1,0,0,0,0|2,0,1]=4 1117 B9R0.2 C#CCCOCOC(=O)C 34a_100011215631_100009813279 [0,1,0,0,0,0|1,0,1]=3 1118 B9R0.2 C#CCCSCCC(=O)C 62a_100000053229_100000688953 [0,1,0,0,0,0|2,0,1]=4 1119 B9R0.2 C#CCCSCCC(=O)C 62a_100000688953_100000053229 [0,1,0,0,0,0|2,0,1]=4 1120 B9R0.2 C#CCCSCOC(=O)C 62a_100000076356_100000688953 [0,1,0,0,0,0|1,0,1]=3 1121 B9R0.2 C#CCCSCOC(=O)C 62a_100000688953_100000076356 [0,1,0,0,0,0|1,0,1]=3 1122 B9R0.2 C#CCNCCCC(=O)C 34a_100000212058_100000685027 [0,1,0,0,0,0|2,0,1]=4 1123 B9R0.2 C#CCNCCNC(=O)C 2230a_100000209853_100000038162 [0,1,0,0,0,0|2,0,1]=4 1124 B9R0.2 C#CCNCCOC(=O)C 34a_100000212058_100009814007 [0,1,0,0,0,0|1,0,1]=3 1125 B9R0.2 C#CCNCCOC(=O)N 34a_100000212058_200011214921 [0,1,0,0,0,0|2,0,1]=4 1126 B9R0.2 C#CCOCCCC(=O)C 34a_100000210247_100000685027 [0,1,0,0,0,0|2,0,1]=4 1127 B9R0.2 C#CCOCCCC(=O)C 34a_100000759063_100000184674 [0,1,0,0,0,0|2,0,1]=4 1128 B9R0.2 C#CCOCCCC(=O)C 7a_100000759063_100000038162 [0,1,0,0,0,0|2,0,1]=4 1129 B9R0.2 C#CCOCCNC(=O)C 11a_100000700922_100015343762 [0,1,0,0,0,0|2,0,1]=4 1130 B9R0.2 C#CCOCCNC(=O)C 1626a_100000700922_100015343762 [0,1,0,0,0,0|2,0,1]=4 1131 B9R0.2 C#CCOCCNC(=O)C 240690a_100000700922_100015343762 [0,1,0,0,0,0|2,0,1]=4 1132 B9R0.2 C#CCOCCNC(=O)C 34a_100000158858_100000184674 [0,1,0,0,0,0|2,0,1]=4 1133 B9R0.2 C#CCOCCNC(=O)C 527a_100000700922_100103153847 [0,1,0,0,0,0|2,0,1]=4 1134 B9R0.2 C#CCOCCOC(=O)C 34a_100000210247_100009814007 [0,1,0,0,0,0|1,0,1]=3 1135 B9R0.2 C#CCOCCOC(=O)N 34a_100000210247_200011214921 [0,1,0,0,0,0|2,0,1]=4 1136 B9R0.2 C#CCOCCOC(=O)N 7a_100000766696_100000038162 [0,1,0,0,0,0|2,0,1]=4 1137 B9R0.2 C#CCSCCCC(=O)C 62a_100000038162_100011215641 [0,1,0,0,0,0|2,0,1]=4 1138 B9R0.2 C#CCSCCNC(=O)C 62a_100000038162_100000189650 [0,1,0,0,0,0|2,0,1]=4 1139 B9R0.2 C#CCSCCOC(=O)C 62a_100000038162_100009814007 [0,1,0,0,0,0|1,0,1]=3 1140 B9R0.2 C#CCSCCOC(=O)N 62a_100000038162_200011214921 [0,1,0,0,0,0|2,0,1]=4 1141 B9R0.2 C/C=C/CCOCC(=O)N 34a_100016278192_100000187820 [0,1,0,0,0,0|2,0,1]=4 1142 B9R0.2 C/C=C/CCOCC(=O)[O-] 34a_100016278192_100020667443 [0,1,0,0,0,0|2,0,1]=4 1143 B9R0.2 C/C=C/COCCC(=O)C 34a_100000759926_100102629194 [0,1,0,0,0,0|2,0,1]=4 1144 B9R0.2 C/C=C/COCCC(=O)C 7a_100000759926_100102629194 [0,1,0,0,0,0|2,0,1]=4 1145 B9R0.2 C/C=C/COCOC(=O)C 34a_100016270725_100009813279 [0,1,0,0,0,0|1,0,1]=3 1146 B9R0.2 C/C=C/CSCCC(=O)C 62a_100000053229_100102629194 [0,1,0,0,0,0|2,0,1]=4 1147 B9R0.2 C/C=C/CSCCC(=O)C 62a_100102629194_100000053229 [0,1,0,0,0,0|2,0,1]=4 1148 B9R0.2 C/C=C/CSCOC(=O)C 62a_100000076356_100102629194 [0,1,0,0,0,0|1,0,1]=3 1149 B9R0.2 C/C=C/CSCOC(=O)C 62a_100102629194_100000076356 [0,1,0,0,0,0|1,0,1]=3 1150 B9R0.2 C=C(Br)CCOCCSC 34a_100009813270_100000212216 [0,1,0,0,0,0|2,0,1]=4 1151 B9R0.2 C=C(C)CCNCCCC 2230a_100000102301_100000730704 [0,1,0,0,0,0|3,0,0]=4 1152 B9R0.2 C=C(C)CCNCCCC 7a_106832991798_100000730704 [0,1,0,0,0,0|3,0,0]=4 1153 B9R0.2 C=C(C)CCNCCOC 2230a_100000209980_100000730704 [0,1,0,0,0,0|2,1,0]=4 1154 B9R0.2 C=C(C)CCNCCSC 2230a_100020590264_100000730704 [0,1,0,0,0,0|2,0,0]=3 1155 B9R0.2 C=C(C)CCOCCCC 34a_100000210227_100000730704 [0,1,0,0,0,0|3,0,0]=4 1156 B9R0.2 C=C(C)CCOCCCC 34a_100000764851_100000210210 [0,1,0,0,0,0|3,0,0]=4 1157 B9R0.2 C=C(C)CCOCCCC 7a_100000210227_100000730704 [0,1,0,0,0,0|3,0,0]=4 1158 B9R0.2 C=C(C)CCOCCOC 34a_100000210237_100000730704 [0,1,0,0,0,0|2,1,0]=4 1159 B9R0.2 C=C(C)CCOCCOC 34a_100000764851_100011201679 [0,1,0,0,0,0|2,1,0]=4 1160 B9R0.2 C=C(C)CCOCCSC 34a_100000230434_100000730704 [0,1,0,0,0,0|2,0,0]=3 1161 B9R0.2 C=C(C)CCOCCSC 34a_100000764851_100000212216 [0,1,0,0,0,0|2,0,0]=3 1162 B9R0.2 C=C(C)CCOCCSC 7a_100000230434_100000730704 [0,1,0,0,0,0|2,0,0]=3 1163 B9R0.2 C=C(C)CCSCCCC 62a_100000210211_100000730704 [0,1,0,0,0,0|3,0,0]=4 1164 B9R0.2 C=C(C)CCSCCCC 62a_100000730704_100000210210 [0,1,0,0,0,0|3,0,0]=4 1165 B9R0.2 C=C(C)CCSCCOC 62a_100000233755_100000730704 [0,1,0,0,0,0|2,1,0]=4 1166 B9R0.2 C=C(C)CCSCCOC 62a_100000730704_100000233755 [0,1,0,0,0,0|2,1,0]=4 1167 B9R0.2 C=C(C)CCSCCSC 62a_100000212216_100000730704 [0,1,0,0,0,0|2,0,0]=3 1168 B9R0.2 C=C(C)CCSCCSC 62a_100000730704_100000751147 [0,1,0,0,0,0|2,0,0]=3 1169 B9R0.2 C=C(C)CNCCCCC 2230a_100000209983_100000748629 [0,1,0,0,0,0|3,0,0]=4 1170 B9R0.2 C=C(C)CNCCCOC 34a_100150723488_100000748629 [0,1,0,0,0,0|2,1,0]=4 1171 B9R0.2 C=C(C)CNCCCSC 2230a_100000749238_100000748629 [0,1,0,0,0,0|2,0,0]=3 1172 B9R0.2 C=C(C)CNCCSCC 2230a_100000106463_100000748629 [0,1,0,0,0,0|3,0,0]=4 1173 B9R0.2 C=C(C)COCC/C=C/C 34a_100016278192_100000748629 [0,1,0,0,0,0|2,0,1]=4 1174 B9R0.2 C=C(C)COCCC#CC 34a_100000750427_100000748629 [0,1,0,0,0,0|2,0,1]=4 1175 B9R0.2 C=C(C)COCCCCBr 34a_100011216708_100000748629 [0,1,0,0,0,0|3,0,0]=4 1176 B9R0.2 C=C(C)COCCCCC 34a_100000210245_100000718602 [0,1,0,0,0,0|2,0,0]=3 1177 B9R0.2 C=C(C)COCCCCC 34a_100000210253_100000748629 [0,1,0,0,0,0|2,0,0]=3 1178 B9R0.2 C=C(C)COCCCCC 7a_100000210253_100000748629 [0,1,0,0,0,0|2,0,0]=3 1179 B9R0.2 C=C(C)COCCCCCl 34a_100000210776_100000748629 [0,1,0,0,0,0|3,0,0]=4 1180 B9R0.2 C=C(C)COCCCCCl 7a_100000210776_100000748629 [0,1,0,0,0,0|3,0,0]=4 1181 B9R0.2 C=C(C)COCCCCF 34a_100000210245_100000729493 [0,1,0,0,0,0|3,0,0]=4 1182 B9R0.2 C=C(C)COCCCCF 34a_100011995726_100000748629 [0,1,0,0,0,0|3,0,0]=4 1183 B9R0.2 C=C(C)COCCCCF 7a_100011995726_100000748629 [0,1,0,0,0,0|3,0,0]=4 1184 B9R0.2 C=C(C)COCCCCI 34a_200012148704_100000748629 [0,1,0,0,0,0|3,0,0]=4 1185 B9R0.2 C=C(C)COCCCCN 34a_100000750430_100000748629 [0,1,0,0,0,0|3,0,0]=4 1186 B9R0.2 C=C(C)COCCCCO 34a_100000210245_100011216708 [0,1,0,0,0,0|3,0,0]=4 1187 B9R0.2 C=C(C)COCCCNC 34a_100000213112_100000748629 [0,1,0,0,0,0|2,0,0]=3 1188 B9R0.2 C=C(C)COCCCOC 34a_100000210245_100000740836 [0,1,0,0,0,0|1,1,0]=3 1189 B9R0.2 C=C(C)COCCCOC 34a_100000740835_100000748629 [0,1,0,0,0,0|1,1,0]=3 1190 B9R0.2 C=C(C)COCCCSC 34a_100000690336_100000748629 [0,1,0,0,0,0|1,0,0]=2 1191 B9R0.2 C=C(C)COCCCSC 7a_100000690336_100000748629 [0,1,0,0,0,0|1,0,0]=2 1192 B9R0.2 C=C(C)COCCOCC 34a_100000210136_100000748629 [0,1,0,0,0,0|3,0,0]=4 1193 B9R0.2 C=C(C)COCCOCC 34a_100000210245_100000210147 [0,1,0,0,0,0|3,0,0]=4 1194 B9R0.2 C=C(C)COCCOCC 7a_100000210136_100000748629 [0,1,0,0,0,0|3,0,0]=4 1195 B9R0.2 C=C(C)COCCSCC 34a_100000210245_100000757381 [0,1,0,0,0,0|3,0,0]=4 1196 B9R0.2 C=C(C)COCCSCC 34a_100000212035_100000748629 [0,1,0,0,0,0|3,0,0]=4 1197 B9R0.2 C=C(C)COCCSCC 7a_100000212035_100000748629 [0,1,0,0,0,0|3,0,0]=4 1198 B9R0.2 C=C(C)CSCCCCC 62a_100000210326_100000211660 [0,1,0,0,0,0|2,1,0]=4 1199 B9R0.2 C=C(C)CSCCCCC 62a_100000748629_100000210326 [0,1,0,0,0,0|2,1,0]=4 1200 B9R0.2 C=C(C)CSCCCOC 62a_100000709357_100000211660 [0,1,0,0,0,0|1,2,0]=4 1201 B9R0.2 C=C(C)CSCCCOC 62a_100000748629_100000709357 [0,1,0,0,0,0|1,2,0]=4 1202 B9R0.2 C=C(C)CSCCSCC 62a_100000748629_100000757381 [0,1,0,0,0,0|3,0,0]=4 1203 B9R0.2 C=C(C)CSCCSCC 62a_100000757381_100000211660 [0,1,0,0,0,0|3,0,0]=4 1204 B9R0.2 C=C(F)CNCCCSC 2230a_100000749238_100009893438 [0,1,0,0,0,0|2,0,1]=4 1205 B9R0.2 C=C(F)COCCCCC 34a_100000210253_100009893438 [0,1,0,0,0,0|2,0,1]=4 1206 B9R0.2 C=C(F)COCCCCC 34a_200010262243_100000718602 [0,1,0,0,0,0|2,0,1]=4 1207 B9R0.2 C=C(F)COCCCCC 7a_100000210253_100000042424 [0,1,0,0,0,0|2,0,1]=4 1208 B9R0.2 C=C(F)COCCCNC 34a_100000213112_100009893438 [0,1,0,0,0,0|2,0,1]=4 1209 B9R0.2 C=C(F)COCCCOC 34a_100000740835_100009893438 [0,1,0,0,0,0|1,1,1]=4 1210 B9R0.2 C=C(F)COCCCOC 34a_200010262243_100000740836 [0,1,0,0,0,0|1,1,1]=4 1211 B9R0.2 C=C(F)COCCCSC 34a_100000690336_100009893438 [0,1,0,0,0,0|1,0,1]=3 1212 B9R0.2 C=C(F)COCCCSC 7a_100000690336_100000042424 [0,1,0,0,0,0|1,0,1]=3 1213 B9R0.2 C=CCCCCCC(=O)C 1458a_100000070787_100000700193 [0,1,0,0,0,0|2,0,1]=4 1214 B9R0.2 C=CCCCCCC(=O)C 1458a_100011934241_200000210301 [0,1,0,0,0,0|2,0,1]=4 1215 B9R0.2 C=CCCCCCC(=O)[13CH3] 1458a_100011934241_200025704644 [0,1,0,0,0,0|2,0,1]=4 1216 B9R0.2 C=CCCCCNC(=O)C 11a_100000703577_100015343762 [0,1,0,0,0,0|2,0,1]=4 1217 B9R0.2 C=CCCCCNC(=O)C 1626a_100000703577_100015343762 [0,1,0,0,0,0|2,0,1]=4 1218 B9R0.2 C=CCCCCNC(=O)C 240690a_100000703577_100015343762 [0,1,0,0,0,0|2,0,1]=4 1219 B9R0.2 C=CCCCCNC(=O)C 527a_100000703577_100103153847 [0,1,0,0,0,0|2,0,1]=4 1220 B9R0.2 C=CCCCOCC(=C)C 34a_100000210245_100000757094 [0,1,0,0,0,0|2,0,1]=4 1221 B9R0.2 C=CCCCOCC(=C)C 34a_100000758997_100000748629 [0,1,0,0,0,0|2,0,1]=4 1222 B9R0.2 C=CCCCOCC(=C)C 7a_100000758997_100000748629 [0,1,0,0,0,0|2,0,1]=4 1223 B9R0.2 C=CCCCOCC(=O)C 34a_100000211253_100000757094 [0,1,0,0,0,0|1,0,1]=3 1224 B9R0.2 C=CCCCOCC(=O)N 34a_100000758997_100000187820 [0,1,0,0,0,0|2,0,1]=4 1225 B9R0.2 C=CCCCOCC(=O)N 7a_100000758997_100000187820 [0,1,0,0,0,0|2,0,1]=4 1226 B9R0.2 C=CCCCOCC(=O)[O-] 34a_100000758997_100020667443 [0,1,0,0,0,0|2,0,1]=4 1227 B9R0.2 C=CCCOCCC(=O)C 34a_100000759926_100000754431 [0,1,0,0,0,0|2,0,1]=4 1228 B9R0.2 C=CCCOCCC(=O)C 7a_100000759926_100000754431 [0,1,0,0,0,0|2,0,1]=4 1229 B9R0.2 C=CCCOCOC(=O)C 34a_100011205117_100009813279 [0,1,0,0,0,0|1,0,1]=3 1230 B9R0.2 C=CCCSCCC(=O)C 62a_100000053229_100000754431 [0,1,0,0,0,0|2,0,1]=4 1231 B9R0.2 C=CCCSCCC(=O)C 62a_100000754431_100000053229 [0,1,0,0,0,0|2,0,1]=4 1232 B9R0.2 C=CCCSCOC(=O)C 62a_100000076356_100000754431 [0,1,0,0,0,0|1,0,1]=3 1233 B9R0.2 C=CCCSCOC(=O)C 62a_100000754431_100000076356 [0,1,0,0,0,0|1,0,1]=3 1234 B9R0.2 C=CCNCCNC(=O)C 2230a_100000209853_100000210623 [0,1,0,0,0,0|2,0,1]=4 1235 B9R0.2 C=CCNCCNC(=O)C 2230a_100020586998_100000189650 [0,1,0,0,0,0|2,0,1]=4 1236 B9R0.2 C=CCOCCCC(=O)C 34a_100000759063_100015514636 [0,1,0,0,0,0|2,0,1]=4 1237 B9R0.2 C=CCOCCCC(=O)C 34a_200000210373_100000685027 [0,1,0,0,0,0|2,0,1]=4 1238 B9R0.2 C=CCOCCCC(=O)C 7a_100000759063_100015514636 [0,1,0,0,0,0|2,0,1]=4 1239 B9R0.2 C=CCOCCNC(=O)C 34a_100000158858_100015514636 [0,1,0,0,0,0|2,0,1]=4 1240 B9R0.2 C=CCOCCOC(=O)C 34a_200000210373_100009814007 [0,1,0,0,0,0|1,0,1]=3 1241 B9R0.2 C=CCOCCOC(=O)N 34a_200000210373_200011214921 [0,1,0,0,0,0|2,0,1]=4 1242 B9R0.2 C=CCOCCOC(=O)N 7a_100000766696_100015514636 [0,1,0,0,0,0|2,0,1]=4 1243 B9R0.2 C=CCSCCCC(=O)C 62a_100000210623_100011215641 [0,1,0,0,0,0|2,0,1]=4 1244 B9R0.2 C=CCSCCCC(=O)C 62a_100011215641_100000210623 [0,1,0,0,0,0|2,0,1]=4 1245 B9R0.2 C=CCSCCNC(=O)C 62a_100000189650_100000210623 [0,1,0,0,0,0|2,0,1]=4 1246 B9R0.2 C=CCSCCNC(=O)C 62a_100000210623_100000189650 [0,1,0,0,0,0|2,0,1]=4 1247 B9R0.2 C=CCSCCOC(=O)C 62a_100000210623_100009814007 [0,1,0,0,0,0|1,0,1]=3 1248 B9R0.2 C=CCSCCOC(=O)C 62a_100009814007_100000210623 [0,1,0,0,0,0|1,0,1]=3 1249 B9R0.2 C=CCSCCOC(=O)N 62a_100000210623_200011214921 [0,1,0,0,0,0|2,0,1]=4 1250 B9R0.2 C=CCSCCOC(=O)N 62a_200011214921_100000210623 [0,1,0,0,0,0|2,0,1]=4 1251 B9R0.2 C=COCCCNC(=O)C 11a_100000210767_100015343762 [0,1,0,0,0,0|1,1,1]=4 1252 B9R0.2 C=COCCCNC(=O)C 1626a_100000210767_100015343762 [0,1,0,0,0,0|1,1,1]=4 1253 B9R0.2 C=COCCCNC(=O)C 240690a_100000210767_100015343762 [0,1,0,0,0,0|1,1,1]=4 1254 B9R0.2 C=COCCCNC(=O)C 527a_100000210767_100103153847 [0,1,0,0,0,0|1,1,1]=4 1255 B9R0.2 C=COCCOCC(=O)C 34a_100000211253_100000039644 [0,1,0,0,0,0|2,0,1]=4 1256 B9R0.2 CC#CCCOCC(=O)N 34a_100000750427_100000187820 [0,1,0,0,0,0|2,0,1]=4 1257 B9R0.2 CC#CCCOCC(=O)[O-] 34a_100000750427_100020667443 [0,1,0,0,0,0|2,0,1]=4 1258 B9R0.2 CC#CCNCOC(=O)C 34a_100000685387_100009813279 [0,1,0,0,0,0|1,0,1]=3 1259 B9R0.2 CC#CCOCCC(=O)C 34a_100000759926_100000748600 [0,1,0,0,0,0|2,0,1]=4 1260 B9R0.2 CC#CCOCCC(=O)C 7a_100000759926_100000748600 [0,1,0,0,0,0|2,0,1]=4 1261 B9R0.2 CC#CCOCOC(=O)C 34a_100000761923_100009813279 [0,1,0,0,0,0|1,0,1]=3 1262 B9R0.2 CC#CCSCCC(=O)C 62a_100000053229_100000748600 [0,1,0,0,0,0|2,0,1]=4 1263 B9R0.2 CC#CCSCCC(=O)C 62a_100000748600_100000053229 [0,1,0,0,0,0|2,0,1]=4 1264 B9R0.2 CC#CCSCOC(=O)C 62a_100000076356_100000748600 [0,1,0,0,0,0|1,0,1]=3 1265 B9R0.2 CC#CCSCOC(=O)C 62a_100000748600_100000076356 [0,1,0,0,0,0|1,0,1]=3 1266 B9R0.2 CC(=O)CCCCCC#N 1458a_100000070787_100009813376 [0,1,0,0,0,0|2,0,1]=4 1267 B9R0.2 CC(=O)CCCCCCF 1458a_100000070787_100015922095 [0,1,0,0,0,0|2,0,0]=3 1268 B9R0.2 CC(=O)CCCCCCO 1458a_100000070787_100000766143 [0,1,0,0,0,0|2,0,0]=3 1269 B9R0.2 CC(=O)CCCCCCO 1458a_100011996774_200000210301 [0,1,0,0,0,0|2,0,0]=3 1270 B9R0.2 CC(=O)CCCCN=[N+]=[N-] 1458a_100000070148_200000210301 [0,1,0,0,0,0|3,0,0]=4 1271 B9R0.2 CC(=O)CCCCSCF 62a_100000735457_100015361967 [0,1,0,0,0,0|1,0,0]=2 1272 B9R0.2 CC(=O)CCCCSCF 62a_100015361967_100000735457 [0,1,0,0,0,0|1,0,0]=2 1273 B9R0.2 CC(=O)CCCNCCF 34a_100000724931_100000685027 [0,1,0,0,0,0|3,0,0]=4 1274 B9R0.2 CC(=O)CCCNCCO 34a_100016990907_100000685027 [0,1,0,0,0,0|3,0,0]=4 1275 B9R0.2 CC(=O)CCCOCC#N 7a_100000759063_100011215382 [0,1,0,0,0,0|3,0,0]=4 1276 B9R0.2 CC(=O)CCCOCC=O 34a_100000759063_200009817547 [0,1,0,0,0,0|3,0,0]=4 1277 B9R0.2 CC(=O)CCCOCC=O 7a_100000759063_200015260668 [0,1,0,0,0,0|3,0,0]=4 1278 B9R0.2 CC(=O)CCCOCCBr 34a_100000211926_100000685027 [0,1,0,0,0,0|3,0,0]=4 1279 B9R0.2 CC(=O)CCCOCCF 34a_100000759063_100011217306 [0,1,0,0,0,0|3,0,0]=4 1280 B9R0.2 CC(=O)CCCOCCF 7a_100000759063_100011217306 [0,1,0,0,0,0|3,0,0]=4 1281 B9R0.2 CC(=O)CCCOCCN 34a_100000210304_100000685027 [0,1,0,0,0,0|3,0,0]=4 1282 B9R0.2 CC(=O)CCCOCCO 34a_100000759063_100000211926 [0,1,0,0,0,0|3,0,0]=4 1283 B9R0.2 CC(=O)CCCOCCO 7a_100000759063_100000211926 [0,1,0,0,0,0|3,0,0]=4 1284 B9R0.2 CC(=O)CCCSCC#N 62a_100011215382_100011215641 [0,1,0,0,0,0|3,0,0]=4 1285 B9R0.2 CC(=O)CCCSCC#N 62a_100011215641_100011215382 [0,1,0,0,0,0|3,0,0]=4 1286 B9R0.2 CC(=O)CCCSCC=O 62a_100011215641_200015260668 [0,1,0,0,0,0|3,0,0]=4 1287 B9R0.2 CC(=O)CCCSCC=O 62a_200015260668_100011215641 [0,1,0,0,0,0|3,0,0]=4 1288 B9R0.2 CC(=O)CCCSCCF 62a_100011215641_100011217306 [0,1,0,0,0,0|3,0,0]=4 1289 B9R0.2 CC(=O)CCCSCCF 62a_100011217306_100011215641 [0,1,0,0,0,0|3,0,0]=4 1290 B9R0.2 CC(=O)CCCSCCO 62a_100000211926_100011215641 [0,1,0,0,0,0|3,0,0]=4 1291 B9R0.2 CC(=O)CCCSCCO 62a_100011215641_100000211926 [0,1,0,0,0,0|3,0,0]=4 1292 B9R0.2 CC(=O)CCOCCC#N 7a_100000759926_100000184422 [0,1,0,0,0,0|3,0,0]=4 1293 B9R0.2 CC(=O)CCOCCCF 34a_100000759926_100011934791 [0,1,0,0,0,0|3,0,0]=4 1294 B9R0.2 CC(=O)CCOCCCF 7a_100000759926_100011934791 [0,1,0,0,0,0|3,0,0]=4 1295 B9R0.2 CC(=O)CCOCCCO 34a_100000759926_100000230001 [0,1,0,0,0,0|3,0,0]=4 1296 B9R0.2 CC(=O)CCOCCCO 7a_100000759926_100011215043 [0,1,0,0,0,0|3,0,0]=4 1297 B9R0.2 CC(=O)CCSCCC#N 62a_100000053229_100011215226 [0,1,0,0,0,0|3,0,0]=4 1298 B9R0.2 CC(=O)CCSCCC#N 62a_100011215226_100000053229 [0,1,0,0,0,0|3,0,0]=4 1299 B9R0.2 CC(=O)CCSCCCF 62a_100000053229_100011934791 [0,1,0,0,0,0|3,0,0]=4 1300 B9R0.2 CC(=O)CCSCCCF 62a_100011934791_100000053229 [0,1,0,0,0,0|3,0,0]=4 1301 B9R0.2 CC(=O)CCSCCCO 62a_100000053229_100011215043 [0,1,0,0,0,0|3,0,0]=4 1302 B9R0.2 CC(=O)CCSCCCO 62a_100011215043_100000053229 [0,1,0,0,0,0|3,0,0]=4 1303 B9R0.2 CC(=O)CCSCSC#N 62a_100000053229_100000211825 [0,1,0,0,0,0|2,0,1]=4 1304 B9R0.2 CC(=O)CCSCSC#N 62a_100000211825_100000053229 [0,1,0,0,0,0|2,0,1]=4 1305 B9R0.2 CC(=O)COCCCCF 34a_100000211253_100000729493 [0,1,0,0,0,0|2,0,0]=3 1306 B9R0.2 CC(=O)COCCCCO 34a_100000211253_100011216708 [0,1,0,0,0,0|2,0,0]=3 1307 B9R0.2 CC(=O)NCCCCC#N 11a_100000751965_100015343762 [0,1,0,0,0,0|2,0,1]=4 1308 B9R0.2 CC(=O)NCCCCC#N 1626a_100000751965_100015343762 [0,1,0,0,0,0|2,0,1]=4 1309 B9R0.2 CC(=O)NCCCCC#N 240690a_100000751965_100015343762 [0,1,0,0,0,0|2,0,1]=4 1310 B9R0.2 CC(=O)NCCCCC#N 527a_100000751965_100103153847 [0,1,0,0,0,0|2,0,1]=4 1311 B9R0.2 CC(=O)NCCCCCO 240690a_100000762737_100015343762 [0,1,0,0,0,0|2,0,0]=3 1312 B9R0.2 CC(=O)NCCCCN[13CH3] 2230a_200011368371_200025704644 [0,1,0,0,0,0|2,0,0]=3 1313 B9R0.2 CC(=O)NCCCCN[13CH3] 34a_200011368371_200025704644 [0,1,0,0,0,0|2,0,0]=3 1314 B9R0.2 CC(=O)NCCCN=[N+]=[N-] 240690a_100000744732_100015343762 [0,1,0,0,0,0|3,0,0]=4 1315 B9R0.2 CC(=O)NCCCNCF 34a_100000736810_100015361967 [0,1,0,0,0,0|2,0,0]=3 1316 B9R0.2 CC(=O)NCCCOCF 34a_100000752032_100015361967 [0,1,0,0,0,0|1,1,0]=3 1317 B9R0.2 CC(=O)NCCNCC#N 2230a_100000209853_100011215382 [0,1,0,0,0,0|3,0,0]=4 1318 B9R0.2 CC(=O)NCCNCC=O 2230a_100000209853_200015260668 [0,1,0,0,0,0|3,0,0]=4 1319 B9R0.2 CC(=O)NCCNCCF 2230a_100000209853_100011217306 [0,1,0,0,0,0|3,0,0]=4 1320 B9R0.2 CC(=O)NCCNCCO 2230a_100000209853_100000211926 [0,1,0,0,0,0|3,0,0]=4 1321 B9R0.2 CC(=O)NCCNCCO 2230a_100016997473_100000189650 [0,1,0,0,0,0|3,0,0]=4 1322 B9R0.2 CC(=O)NCCOCC=O 34a_100000158858_200009817547 [0,1,0,0,0,0|3,0,0]=4 1323 B9R0.2 CC(=O)NCCOCCF 34a_100000158858_100011217306 [0,1,0,0,0,0|3,0,0]=4 1324 B9R0.2 CC(=O)NCCOCCO 240690a_100000211614_100015343762 [0,1,0,0,0,0|3,0,0]=4 1325 B9R0.2 CC(=O)NCCOCCO 34a_100000158858_100000211926 [0,1,0,0,0,0|3,0,0]=4 1326 B9R0.2 CC(=O)NCCSCC#N 62a_100000189650_100011215382 [0,1,0,0,0,0|3,0,0]=4 1327 B9R0.2 CC(=O)NCCSCC#N 62a_100011215382_100000189650 [0,1,0,0,0,0|3,0,0]=4 1328 B9R0.2 CC(=O)NCCSCC=O 62a_100000189650_200015260668 [0,1,0,0,0,0|3,0,0]=4 1329 B9R0.2 CC(=O)NCCSCC=O 62a_200015260668_100000189650 [0,1,0,0,0,0|3,0,0]=4 1330 B9R0.2 CC(=O)NCCSCCF 62a_100000189650_100011217306 [0,1,0,0,0,0|3,0,0]=4 1331 B9R0.2 CC(=O)NCCSCCF 62a_100011217306_100000189650 [0,1,0,0,0,0|3,0,0]=4 1332 B9R0.2 CC(=O)NCCSCCO 240690a_100011219999_100015343762 [0,1,0,0,0,0|3,0,0]=4 1333 B9R0.2 CC(=O)NCCSCCO 527a_100011219999_100103153847 [0,1,0,0,0,0|3,0,0]=4 1334 B9R0.2 CC(=O)NCCSCCO 62a_100000189650_100000211926 [0,1,0,0,0,0|3,0,0]=4 1335 B9R0.2 CC(=O)NCCSCCO 62a_100000211926_100000189650 [0,1,0,0,0,0|3,0,0]=4 1336 B9R0.2 CC(=O)OCCCCO[13CH3] 34a_100000073216_200025704644 [0,1,0,0,0,0|0,1,0]=2 1337 B9R0.2 CC(=O)OCCCCO[13CH3] 7a_100000073216_200025704644 [0,1,0,0,0,0|0,1,0]=2 1338 B9R0.2 CC(=O)OCCCCS[13CH3] 62a_100000033659_200025704644 [0,1,0,0,0,0|0,0,0]=1 1339 B9R0.2 CC(=O)OCCCCS[13CH3] 62a_200025704644_100000033659 [0,1,0,0,0,0|0,0,0]=1 1340 B9R0.2 CC(=O)OCCCSCF 62a_100000042594_100015361967 [0,1,0,0,0,0|0,0,0]=1 1341 B9R0.2 CC(=O)OCCCSCF 62a_100015361967_100000042594 [0,1,0,0,0,0|0,0,0]=1 1342 B9R0.2 CC(=O)OCCNCCF 34a_100000724931_100009814007 [0,1,0,0,0,0|2,0,0]=3 1343 B9R0.2 CC(=O)OCCNCCO 34a_100016990907_100009814007 [0,1,0,0,0,0|2,0,0]=3 1344 B9R0.2 CC(=O)OCCOCCBr 34a_100000211926_100009814007 [0,1,0,0,0,0|2,0,0]=3 1345 B9R0.2 CC(=O)OCCOCCN 34a_100000210304_100009814007 [0,1,0,0,0,0|2,0,0]=3 1346 B9R0.2 CC(=O)OCCOCS[13CH3] 62a_100000076355_200025704644 [0,1,0,0,0,0|0,0,0]=1 1347 B9R0.2 CC(=O)OCCOCS[13CH3] 62a_200025704644_100000076355 [0,1,0,0,0,0|0,0,0]=1 1348 B9R0.2 CC(=O)OCCSCC#N 62a_100009814007_100011215382 [0,1,0,0,0,0|2,0,0]=3 1349 B9R0.2 CC(=O)OCCSCC#N 62a_100011215382_100009814007 [0,1,0,0,0,0|2,0,0]=3 1350 B9R0.2 CC(=O)OCCSCC=O 62a_100009814007_200015260668 [0,1,0,0,0,0|2,0,0]=3 1351 B9R0.2 CC(=O)OCCSCC=O 62a_200015260668_100009814007 [0,1,0,0,0,0|2,0,0]=3 1352 B9R0.2 CC(=O)OCCSCCF 62a_100009814007_100011217306 [0,1,0,0,0,0|2,0,0]=3 1353 B9R0.2 CC(=O)OCCSCCF 62a_100011217306_100009814007 [0,1,0,0,0,0|2,0,0]=3 1354 B9R0.2 CC(=O)OCCSCCO 62a_100000211926_100009814007 [0,1,0,0,0,0|2,0,0]=3 1355 B9R0.2 CC(=O)OCCSCCO 62a_100009814007_100000211926 [0,1,0,0,0,0|2,0,0]=3 1356 B9R0.2 CC(=O)OCNCCCF 34a_100015189416_100009813279 [0,1,0,0,0,0|2,0,0]=3 1357 B9R0.2 CC(=O)OCOCCCBr 34a_100011217188_100009813279 [0,1,0,0,0,0|2,0,0]=3 1358 B9R0.2 CC(=O)OCOCCCCl 34a_100000230001_100009813279 [0,1,0,0,0,0|2,0,0]=3 1359 B9R0.2 CC(=O)OCOCCCF 34a_100000759539_100009813279 [0,1,0,0,0,0|2,0,0]=3 1360 B9R0.2 CC(=O)OCOCCCN 34a_100000182051_100009813279 [0,1,0,0,0,0|2,0,0]=3 1361 B9R0.2 CC(=O)OCOCCON 34a_100000700252_100009813279 [0,1,0,0,0,0|1,1,0]=3 1362 B9R0.2 CC(=O)OCSCCC#N 62a_100000076356_100011215226 [0,1,0,0,0,0|2,0,0]=3 1363 B9R0.2 CC(=O)OCSCCC#N 62a_100011215226_100000076356 [0,1,0,0,0,0|2,0,0]=3 1364 B9R0.2 CC(=O)OCSCCCF 62a_100000076356_100011934791 [0,1,0,0,0,0|2,0,0]=3 1365 B9R0.2 CC(=O)OCSCCCF 62a_100011934791_100000076356 [0,1,0,0,0,0|2,0,0]=3 1366 B9R0.2 CC(=O)OCSCCCO 62a_100000076356_100011215043 [0,1,0,0,0,0|2,0,0]=3 1367 B9R0.2 CC(=O)OCSCCCO 62a_100011215043_100000076356 [0,1,0,0,0,0|2,0,0]=3 1368 B9R0.2 CC(=O)OCSCSC#N 62a_100000076356_100000211825 [0,1,0,0,0,0|1,0,1]=3 1369 B9R0.2 CC(=O)OCSCSC#N 62a_100000211825_100000076356 [0,1,0,0,0,0|1,0,1]=3 1370 B9R0.2 CC(=O)SCCCCS[13CH3] 62a_200010402107_200025704644 [0,1,0,0,0,0|0,1,0]=2 1371 B9R0.2 CC(=O)SCCCCS[13CH3] 62a_200025704644_200010402107 [0,1,0,0,0,0|0,1,0]=2 1372 B9R0.2 CC(=O)SCCCSCF 62a_100000038929_100015361967 [0,1,0,0,0,0|0,1,0]=2 1373 B9R0.2 CC(=O)SCCCSCF 62a_100015361967_100000038929 [0,1,0,0,0,0|0,1,0]=2 1374 B9R0.2 CC(=S)OCCCSCF 62a_100015361967_200135323944 [0,1,0,0,0,0|0,1,0]=2 1375 B9R0.2 CC(=S)OCCCSCF 62a_200135323944_100015361967 [0,1,0,0,0,0|0,1,0]=2 1376 B9R0.2 CC(C)CCCCCS[13CH3] 62a_100000210682_200025704644 [0,1,0,0,0,0|2,0,1]=4 1377 B9R0.2 CC(C)CCCCCS[13CH3] 62a_200025704644_100000210682 [0,1,0,0,0,0|2,0,1]=4 1378 B9R0.2 CC(C)CCCCSCF 62a_100011216152_100015361967 [0,1,0,0,0,0|2,0,1]=4 1379 B9R0.2 CC(C)CCCCSCF 62a_100015361967_100011216152 [0,1,0,0,0,0|2,0,1]=4 1380 B9R0.2 CC(C)COCCCN[13CH3] 2230a_100000205972_200025704644 [0,1,0,0,0,0|2,0,1]=4 1381 B9R0.2 CC(C)COCCCN[13CH3] 34a_100000205972_200025704644 [0,1,0,0,0,0|2,0,1]=4 1382 B9R0.2 CC(C)OCCCCCBr 34a_100000746331_100000210206 [0,1,0,0,0,0|2,0,1]=4 1383 B9R0.2 CC(C)OCCCCCBr 7a_100000746331_100000210206 [0,1,0,0,0,0|2,0,1]=4 1384 B9R0.2 CC(C)OCCCCCCl 34a_100000746330_100000210206 [0,1,0,0,0,0|2,0,1]=4 1385 B9R0.2 CC(C)OCCCCCCl 7a_100000746330_100000210206 [0,1,0,0,0,0|2,0,1]=4 1386 B9R0.2 CC(C)OCCCCCF 34a_100000212225_100000729378 [0,1,0,0,0,0|2,0,1]=4 1387 B9R0.2 CC(C)OCCCCCI 34a_200012148887_100000210206 [0,1,0,0,0,0|2,0,1]=4 1388 B9R0.2 CC(C)OCCCCCI 7a_200012148887_100000210206 [0,1,0,0,0,0|2,0,1]=4 1389 B9R0.2 CC(C)OCCCCCN 34a_100000762737_100000210206 [0,1,0,0,0,0|2,0,1]=4 1390 B9R0.2 CC(C)OCCCCCO 34a_100000212225_100000746330 [0,1,0,0,0,0|2,0,1]=4 1391 B9R0.2 CC(C)OCCCNCF 34a_100000737246_100015361967 [0,1,0,0,0,0|2,0,1]=4 1392 B9R0.2 CC/C=C\COCC(=O)C 34a_100000211253_100103147603 [0,1,0,0,0,0|1,0,2]=4 1393 B9R0.2 CC=CCCCOC(C)C 34a_100020645299_100000210206 [0,1,0,0,0,0|2,0,1]=4 1394 B9R0.2 CC=CCOCCC(=O)C 34a_100000759926_100000070051 [0,1,0,0,0,0|2,0,1]=4 1395 B9R0.2 CC=CCOCCC(=O)C 7a_100000759926_100000070051 [0,1,0,0,0,0|2,0,1]=4 1396 B9R0.2 CC=CCSCCC(=O)C 62a_100000053229_100000070051 [0,1,0,0,0,0|2,0,1]=4 1397 B9R0.2 CC=CCSCCC(=O)C 62a_100000070051_100000053229 [0,1,0,0,0,0|2,0,1]=4 1398 B9R0.2 CC=CCSCOC(=O)C 62a_100000070051_100000076356 [0,1,0,0,0,0|1,0,1]=3 1399 B9R0.2 CC=CCSCOC(=O)C 62a_100000076356_100000070051 [0,1,0,0,0,0|1,0,1]=3 1400 B9R0.2 CCC#CCOCC(=O)C 34a_100000211253_100009813939 [0,1,0,0,0,0|1,0,2]=4 1401 B9R0.2 CCCC/C=C/CC(=O)C 1458a_200016282684_200000210301 [0,1,0,0,0,0|2,0,1]=4 1402 B9R0.2 CCCC/C=C/CC(=O)[13CH3] 1458a_200016282684_200025704644 [0,1,0,0,0,0|2,0,1]=4 1403 B9R0.2 CCCCC=NNC(=O)C 4a_100000189765_100000210104 [0,1,0,0,0,0|2,0,1]=4 1404 B9R0.2 CCCCCC#CC(=O)C 1458a_100011215388_200000210301 [0,1,0,0,0,0|2,0,0]=3 1405 B9R0.2 CCCCCC#CC(=O)[13CH3] 1458a_100011215388_200025704644 [0,1,0,0,0,0|2,0,0]=3 1406 B9R0.2 CCCCCC=CC(=O)C 1458a_100016263427_200000210301 [0,1,0,0,0,0|2,0,0]=3 1407 B9R0.2 CCCCCC=CC(=O)[13CH3] 1458a_100016263427_200025704644 [0,1,0,0,0,0|2,0,0]=3 1408 B9R0.2 CCCCCCCC(=O)C 1458a_100000070787_100000210614 [0,1,0,0,0,0|2,0,0]=3 1409 B9R0.2 CCCCCCCC(=O)C 1458a_100000211969_200000210301 [0,1,0,0,0,0|2,0,0]=3 1410 B9R0.2 CCCCCCCC(=O)[13CH3] 1458a_100000211969_200025704644 [0,1,0,0,0,0|2,0,0]=3 1411 B9R0.2 CCCCCCNC(=O)C 11a_100000210581_100015343762 [0,1,0,0,0,0|2,0,0]=3 1412 B9R0.2 CCCCCCNC(=O)C 1626a_100000210581_100015343762 [0,1,0,0,0,0|2,0,0]=3 1413 B9R0.2 CCCCCCNC(=O)C 240690a_100000210581_100015343762 [0,1,0,0,0,0|2,0,0]=3 1414 B9R0.2 CCCCCCNC(=O)C 527a_100000210581_100103153847 [0,1,0,0,0,0|2,0,0]=3 1415 B9R0.2 CCCCCCOC(C)C 34a_100000210259_100000210206 [0,1,0,0,0,0|2,0,1]=4 1416 B9R0.2 CCCCCCOC(C)C 34a_100000212225_100000210314 [0,1,0,0,0,0|2,0,1]=4 1417 B9R0.2 CCCCCCOC(C)C 7a_100000210259_100000210206 [0,1,0,0,0,0|2,0,1]=4 1418 B9R0.2 CCCCCNCC(=O)N 2230a_100000209983_100000747473 [0,1,0,0,0,0|3,0,0]=4 1419 B9R0.2 CCCCCNCC(=O)N 2230a_100000711301_100000210326 [0,1,0,0,0,0|3,0,0]=4 1420 B9R0.2 CCCCCNCC(=O)O 269956a_100016091260_100000210326 [0,1,0,0,0,0|3,0,0]=4 1421 B9R0.2 CCCCCNNC(=O)C 22a_100000694160_100000070787 [0,1,0,0,0,0|2,0,0]=3 1422 B9R0.2 CCCCCOCC(=O)C 34a_100000211253_100000718602 [0,1,0,0,0,0|1,0,0]=2 1423 B9R0.2 CCCCCOCC(=O)N 34a_100000210253_100000187820 [0,1,0,0,0,0|2,0,0]=3 1424 B9R0.2 CCCCCOCC(=O)N 7a_100000210253_100000187820 [0,1,0,0,0,0|2,0,0]=3 1425 B9R0.2 CCCCCOCC(=O)[O-] 34a_100000210253_100020667443 [0,1,0,0,0,0|2,0,0]=3 1426 B9R0.2 CCCCCOCC(C)Br 34a_100012180447_100000718602 [0,1,0,0,0,0|2,0,1]=4 1427 B9R0.2 CCCCCOCC(C)C 34a_100000210253_100000210624 [0,1,0,0,0,0|2,0,1]=4 1428 B9R0.2 CCCCCOCC(C)C 34a_100000210257_100000718602 [0,1,0,0,0,0|2,0,1]=4 1429 B9R0.2 CCCCCOCC(C)C 7a_100000210253_100000210760 [0,1,0,0,0,0|2,0,1]=4 1430 B9R0.2 CCCCCOCC(C)F 34a_100015925927_100000718602 [0,1,0,0,0,0|2,0,1]=4 1431 B9R0.2 CCCCCOCC(C)O 34a_100000210253_100011218427 [0,1,0,0,0,0|1,0,2]=4 1432 B9R0.2 CCCCCOCC(C)O 7a_100000210253_100011218427 [0,1,0,0,0,0|1,0,2]=4 1433 B9R0.2 CCCCCOC[C@@H](C)Cl 34a_100016084084_100000718602 [0,1,0,0,0,0|2,0,1]=4 1434 B9R0.2 CCCCCOC[C@@H](C)N 34a_100000737577_100000718602 [0,1,0,0,0,0|2,0,1]=4 1435 B9R0.2 CCCCCOC[C@@H](C)O 34a_100000210253_100009817552 [0,1,0,0,0,0|1,0,2]=4 1436 B9R0.2 CCCCCOC[C@@H](C)O 7a_100000210253_100009817552 [0,1,0,0,0,0|1,0,2]=4 1437 B9R0.2 CCCCCOC[N+](=O)[O-] 34a_100000210253_100000761209 [0,1,0,0,0,0|3,0,0]=4 1438 B9R0.2 CCCCCSCC(=O)N 62a_100000210326_100000747473 [0,1,0,0,0,0|2,1,0]=4 1439 B9R0.2 CCCCCSCC(=O)N 62a_100000747473_100000210326 [0,1,0,0,0,0|2,1,0]=4 1440 B9R0.2 CCCCCSCC(=O)[O-] 62a_100000210326_100020667443 [0,1,0,0,0,0|2,1,0]=4 1441 B9R0.2 CCCCCSCC(=O)[O-] 62a_100020667443_100000210326 [0,1,0,0,0,0|2,1,0]=4 1442 B9R0.2 CCCCNCC=C(C)C 2230a_100000102301_100000761012 [0,1,0,0,0,0|3,0,0]=4 1443 B9R0.2 CCCCNCC=C(C)C 34a_100000718196_100000210210 [0,1,0,0,0,0|3,0,0]=4 1444 B9R0.2 CCCCNCC=C(C)C 7a_106832991798_100000761012 [0,1,0,0,0,0|3,0,0]=4 1445 B9R0.2 CCCCNCCC(=O)C 7a_106832991798_100000053229 [0,1,0,0,0,0|2,0,0]=3 1446 B9R0.2 CCCCNCCC(=O)N 2230a_100000102301_100000744528 [0,1,0,0,0,0|3,0,0]=4 1447 B9R0.2 CCCCNCCC(=O)N 7a_106832991798_100000744528 [0,1,0,0,0,0|3,0,0]=4 1448 B9R0.2 CCCCNCOC(C)C 2230a_100000102301_100000709892 [0,1,0,0,0,0|2,0,1]=4 1449 B9R0.2 CCCCNOCC(=O)O 269956a_100000106656_100000210211 [0,1,0,0,0,0|3,0,0]=4 1450 B9R0.2 CCCCOCC=C(C)C 34a_100000210227_100000761012 [0,1,0,0,0,0|3,0,0]=4 1451 B9R0.2 CCCCOCC=C(C)C 34a_100000753907_100000210210 [0,1,0,0,0,0|3,0,0]=4 1452 B9R0.2 CCCCOCC=C(C)C 7a_100000210227_100000761012 [0,1,0,0,0,0|3,0,0]=4 1453 B9R0.2 CCCCOCCC(=O)C 1458a_100000070787_100000743108 [0,1,0,0,0,0|2,0,0]=3 1454 B9R0.2 CCCCOCCC(=O)C 34a_100000759926_100000210210 [0,1,0,0,0,0|2,0,0]=3 1455 B9R0.2 CCCCOCCC(=O)C 7a_100000210227_100000053229 [0,1,0,0,0,0|2,0,0]=3 1456 B9R0.2 CCCCOCCC(=O)C 7a_100000759926_100000210211 [0,1,0,0,0,0|2,0,0]=3 1457 B9R0.2 CCCCOCCC(=O)N 34a_100000210227_100000731001 [0,1,0,0,0,0|3,0,0]=4 1458 B9R0.2 CCCCOCCC(=O)N 34a_100000757172_100000210210 [0,1,0,0,0,0|3,0,0]=4 1459 B9R0.2 CCCCOCCC(=O)N 7a_100000210227_100000744528 [0,1,0,0,0,0|3,0,0]=4 1460 B9R0.2 CCCCOCCC(=O)N 7a_100000757172_100000210211 [0,1,0,0,0,0|3,0,0]=4 1461 B9R0.2 CCCCOCOC(=O)C 34a_100000210227_100009813279 [0,1,0,0,0,0|1,0,0]=2 1462 B9R0.2 CCCCOCOC(C)C 34a_100000210227_100000709892 [0,1,0,0,0,0|2,0,1]=4 1463 B9R0.2 CCCCOCOC(C)C 34a_100000212225_100011995733 [0,1,0,0,0,0|2,0,1]=4 1464 B9R0.2 CCCCSCC=C(C)C 62a_100000210211_100000761012 [0,1,0,0,0,0|3,0,0]=4 1465 B9R0.2 CCCCSCC=C(C)C 62a_100000761012_100000210210 [0,1,0,0,0,0|3,0,0]=4 1466 B9R0.2 CCCCSCCC(=O)C 62a_100000053229_100000210210 [0,1,0,0,0,0|2,0,0]=3 1467 B9R0.2 CCCCSCCC(=O)C 62a_100000210211_100000053229 [0,1,0,0,0,0|2,0,0]=3 1468 B9R0.2 CCCCSCCC(=O)N 62a_100000210211_100000744528 [0,1,0,0,0,0|3,0,0]=4 1469 B9R0.2 CCCCSCCC(=O)N 62a_100000744528_100000210210 [0,1,0,0,0,0|3,0,0]=4 1470 B9R0.2 CCCCSCOC(=O)C 62a_100000076356_100000210210 [0,1,0,0,0,0|1,0,0]=2 1471 B9R0.2 CCCCSCOC(=O)C 62a_100000210211_100000076356 [0,1,0,0,0,0|1,0,0]=2 1472 B9R0.2 CCCCSCOC(C)C 62a_100000210211_100000709892 [0,1,0,0,0,0|2,0,1]=4 1473 B9R0.2 CCCCSCOC(C)C 62a_100000709892_100000210210 [0,1,0,0,0,0|2,0,1]=4 1474 B9R0.2 CCCNCCCC(=O)N 34a_100000739312_100000210303 [0,1,0,0,0,0|3,0,0]=4 1475 B9R0.2 CCCNCCCS(=O)C 2230a_200000753449_100000210303 [0,1,0,0,0,0|3,0,0]=4 1476 B9R0.2 CCCNCCNC(=O)C 2230a_100000209853_100000210303 [0,1,0,0,0,0|2,0,0]=3 1477 B9R0.2 CCCNCCNC(=O)N 34a_100020590234_100000210303 [0,1,0,0,0,0|3,0,0]=4 1478 B9R0.2 CCCNCCOC(C)C 2230a_100000701111_100000210303 [0,1,0,0,0,0|2,0,1]=4 1479 B9R0.2 CCCNCCOC(C)C 34a_100000701111_100000210303 [0,1,0,0,0,0|2,0,1]=4 1480 B9R0.2 CCCOCCC=C(C)C 34a_100000210258_100011217483 [0,1,0,0,0,0|3,0,0]=4 1481 B9R0.2 CCCOCCCC(=O)C 34a_100000210258_100000685027 [0,1,0,0,0,0|2,0,0]=3 1482 B9R0.2 CCCOCCCC(=O)C 34a_100000759063_100000210303 [0,1,0,0,0,0|2,0,0]=3 1483 B9R0.2 CCCOCCCC(=O)C 7a_100000759063_100000210303 [0,1,0,0,0,0|2,0,0]=3 1484 B9R0.2 CCCOCCCC(=O)N 34a_100000210258_100102525003 [0,1,0,0,0,0|3,0,0]=4 1485 B9R0.2 CCCOCCNC(=O)C 1626a_100161115042_100015343762 [0,1,0,0,0,0|2,0,0]=3 1486 B9R0.2 CCCOCCNC(=O)C 240690a_100161115042_100015343762 [0,1,0,0,0,0|2,0,0]=3 1487 B9R0.2 CCCOCCNC(=O)C 34a_100000158858_100000210303 [0,1,0,0,0,0|2,0,0]=3 1488 B9R0.2 CCCOCCNC(=O)C 527a_100161115042_100103153847 [0,1,0,0,0,0|2,0,0]=3 1489 B9R0.2 CCCOCCNC(=O)N 34a_100000181757_100000210303 [0,1,0,0,0,0|3,0,0]=4 1490 B9R0.2 CCCOCCOC(=O)C 34a_100000210258_100009814007 [0,1,0,0,0,0|1,0,0]=2 1491 B9R0.2 CCCOCCOC(=O)N 34a_100000210258_200011214921 [0,1,0,0,0,0|2,0,0]=3 1492 B9R0.2 CCCOCCOC(=O)N 7a_100000766696_100000210303 [0,1,0,0,0,0|2,0,0]=3 1493 B9R0.2 CCCOCCOC(C)C 34a_100000210258_100000211751 [0,1,0,0,0,0|2,0,1]=4 1494 B9R0.2 CCCOCCOC(C)C 34a_100000211219_100000210303 [0,1,0,0,0,0|2,0,1]=4 1495 B9R0.2 CCCOCCOC(C)C 34a_100000212225_100011215938 [0,1,0,0,0,0|2,0,1]=4 1496 B9R0.2 CCCOCCOC(C)C 34a_100000752267_100000210206 [0,1,0,0,0,0|2,0,1]=4 1497 B9R0.2 CCCOCCOC(C)C 7a_100000211219_100000210303 [0,1,0,0,0,0|2,0,1]=4 1498 B9R0.2 CCCOCCOC(C)C 7a_100000752267_100000210206 [0,1,0,0,0,0|2,0,1]=4 1499 B9R0.2 CCCSCCC=C(C)C 62a_100000210303_100011217483 [0,1,0,0,0,0|3,0,0]=4 1500 B9R0.2 CCCSCCC=C(C)C 62a_100011217483_100000210303 [0,1,0,0,0,0|3,0,0]=4 1501 B9R0.2 CCCSCCCC(=O)C 62a_100000210303_100011215641 [0,1,0,0,0,0|2,0,0]=3 1502 B9R0.2 CCCSCCCC(=O)C 62a_100011215641_100000210303 [0,1,0,0,0,0|2,0,0]=3 1503 B9R0.2 CCCSCCCC(=O)N 62a_100000210303_100102525003 [0,1,0,0,0,0|3,0,0]=4 1504 B9R0.2 CCCSCCCC(=O)N 62a_100102525003_100000210303 [0,1,0,0,0,0|3,0,0]=4 1505 B9R0.2 CCCSCCNC(=O)C 11a_100020603323_100015343762 [0,1,0,0,0,0|2,0,0]=3 1506 B9R0.2 CCCSCCNC(=O)C 240690a_100020603323_100015343762 [0,1,0,0,0,0|2,0,0]=3 1507 B9R0.2 CCCSCCNC(=O)C 527a_100020603323_100103153847 [0,1,0,0,0,0|2,0,0]=3 1508 B9R0.2 CCCSCCNC(=O)C 62a_100000189650_100000210303 [0,1,0,0,0,0|2,0,0]=3 1509 B9R0.2 CCCSCCNC(=O)C 62a_100000210303_100000189650 [0,1,0,0,0,0|2,0,0]=3 1510 B9R0.2 CCCSCCNC(=O)N 62a_100000210303_200000034859 [0,1,0,0,0,0|3,0,0]=4 1511 B9R0.2 CCCSCCNC(=O)N 62a_200000034859_100000210303 [0,1,0,0,0,0|3,0,0]=4 1512 B9R0.2 CCCSCCOC(=O)C 62a_100000210303_100009814007 [0,1,0,0,0,0|1,0,0]=2 1513 B9R0.2 CCCSCCOC(=O)C 62a_100009814007_100000210303 [0,1,0,0,0,0|1,0,0]=2 1514 B9R0.2 CCCSCCOC(=O)N 62a_100000210303_200011214921 [0,1,0,0,0,0|2,0,0]=3 1515 B9R0.2 CCCSCCOC(=O)N 62a_200011214921_100000210303 [0,1,0,0,0,0|2,0,0]=3 1516 B9R0.2 CCCSCCOC(C)C 34a_200000230433_100000210206 [0,1,0,0,0,0|2,0,1]=4 1517 B9R0.2 CCCSCCOC(C)C 62a_100000210303_100000211751 [0,1,0,0,0,0|2,0,1]=4 1518 B9R0.2 CCCSCCOC(C)C 62a_100000211751_100000210303 [0,1,0,0,0,0|2,0,1]=4 1519 B9R0.2 CCCSCCOC(C)C 7a_200000230433_100000210206 [0,1,0,0,0,0|2,0,1]=4 1520 B9R0.2 CCNCCCCC(=O)N 34a_100000696515_100000210202 [0,1,0,0,0,0|3,0,0]=4 1521 B9R0.2 CCNCCCNC(=O)C 34a_100000736810_100000210202 [0,1,0,0,0,0|2,0,0]=3 1522 B9R0.2 CCNCCCOC(=S)C 2230a_100015525214_200135323944 [0,1,0,0,0,0|1,1,0]=3 1523 B9R0.2 CCNCCCOC(C)C 2230a_100000737246_100000210202 [0,1,0,0,0,0|2,0,1]=4 1524 B9R0.2 CCNCCCOC(C)C 34a_100000737246_100000210202 [0,1,0,0,0,0|2,0,1]=4 1525 B9R0.2 CCNCCCSC(=O)C 2230a_100015525214_100000038929 [0,1,0,0,0,0|1,1,0]=3 1526 B9R0.2 CCNCCOCC(=O)N 2230a_100015525214_100000076697 [0,1,0,0,0,0|3,0,0]=4 1527 B9R0.2 CCNCCOCC(=O)O 269956a_100000700818_100000210202 [0,1,0,0,0,0|3,0,0]=4 1528 B9R0.2 CCOCCCCC(=O)C 34a_100121572206_100009817362 [0,1,0,0,0,0|1,1,0]=3 1529 B9R0.2 CCOCCCCC(=O)N 34a_100012022536_100000210202 [0,1,0,0,0,0|2,1,0]=4 1530 B9R0.2 CCOCCCCC(=O)N 7a_100012022536_100000210202 [0,1,0,0,0,0|2,1,0]=4 1531 B9R0.2 CCOCCCNC(=O)C 11a_100000210961_100015343762 [0,1,0,0,0,0|1,1,0]=3 1532 B9R0.2 CCOCCCNC(=O)C 1626a_100000210961_100015343762 [0,1,0,0,0,0|1,1,0]=3 1533 B9R0.2 CCOCCCNC(=O)C 240690a_100000210961_100015343762 [0,1,0,0,0,0|1,1,0]=3 1534 B9R0.2 CCOCCCNC(=O)C 34a_100000752032_100000210202 [0,1,0,0,0,0|1,1,0]=3 1535 B9R0.2 CCOCCCNC(=O)C 527a_100000210961_100103153847 [0,1,0,0,0,0|1,1,0]=3 1536 B9R0.2 CCOCCCOC(=O)C 34a_100121572206_100000042594 [0,1,0,0,0,0|0,1,0]=2 1537 B9R0.2 CCOCCCOC(=S)C 34a_100121572206_200135323944 [0,1,0,0,0,0|0,2,0]=3 1538 B9R0.2 CCOCCCOC(C)C 34a_100000212225_100012232248 [0,1,0,0,0,0|1,1,1]=4 1539 B9R0.2 CCOCCCOC(C)C 34a_100000757476_100000210206 [0,1,0,0,0,0|1,1,1]=4 1540 B9R0.2 CCOCCCOC(C)C 7a_100000757476_100000210206 [0,1,0,0,0,0|1,1,1]=4 1541 B9R0.2 CCOCCCSC(=O)C 34a_100121572206_100000038929 [0,1,0,0,0,0|0,2,0]=3 1542 B9R0.2 CCOCCNNC(=O)C 22a_100000732670_100000070787 [0,1,0,0,0,0|2,1,0]=4 1543 B9R0.2 CCOCCOCC(=O)C 34a_100000211253_100000210147 [0,1,0,0,0,0|2,0,0]=3 1544 B9R0.2 CCOCCOCC(=O)N 34a_100000210136_100000187820 [0,1,0,0,0,0|3,0,0]=4 1545 B9R0.2 CCOCCOCC(=O)N 34a_100121572206_100000076697 [0,1,0,0,0,0|3,0,0]=4 1546 B9R0.2 CCOCCOCC(=O)N 7a_100000210136_100000187820 [0,1,0,0,0,0|3,0,0]=4 1547 B9R0.2 CCOCCOCC(=O)[O-] 34a_100000210136_100020667443 [0,1,0,0,0,0|3,0,0]=4 1548 B9R0.2 CCOCSCCC(=O)C 62a_100000053229_100000739092 [0,1,0,0,0,0|2,1,0]=4 1549 B9R0.2 CCOCSCCC(=O)C 62a_100000739092_100000053229 [0,1,0,0,0,0|2,1,0]=4 1550 B9R0.2 CCOCSCOC(=O)C 62a_100000076356_100000739092 [0,1,0,0,0,0|1,1,0]=3 1551 B9R0.2 CCOCSCOC(=O)C 62a_100000739092_100000076356 [0,1,0,0,0,0|1,1,0]=3 1552 B9R0.2 CCSCCCCC(=O)C 62a_100000210202_100000735457 [0,1,0,0,0,0|1,0,0]=2 1553 B9R0.2 CCSCCCCC(=O)C 62a_100000735457_100000210202 [0,1,0,0,0,0|1,0,0]=2 1554 B9R0.2 CCSCCCCC(C)C 62a_100000210202_100011216152 [0,1,0,0,0,0|2,0,1]=4 1555 B9R0.2 CCSCCCCC(C)C 62a_100011216152_100000210202 [0,1,0,0,0,0|2,0,1]=4 1556 B9R0.2 CCSCCCCN(C)C 62a_100000210202_100000690147 [0,1,0,0,0,0|3,0,0]=4 1557 B9R0.2 CCSCCCOC(=O)C 62a_100000042594_100000210202 [0,1,0,0,0,0|0,0,0]=1 1558 B9R0.2 CCSCCCOC(=O)C 62a_100000210202_100000042594 [0,1,0,0,0,0|0,0,0]=1 1559 B9R0.2 CCSCCCOC(=S)C 62a_100000210202_200135323944 [0,1,0,0,0,0|0,1,0]=2 1560 B9R0.2 CCSCCCOC(=S)C 62a_200135323944_100000210202 [0,1,0,0,0,0|0,1,0]=2 1561 B9R0.2 CCSCCCOC(C)C 34a_100011216438_100000210206 [0,1,0,0,0,0|1,0,1]=3 1562 B9R0.2 CCSCCCOC(C)C 7a_100011216438_100000210206 [0,1,0,0,0,0|1,0,1]=3 1563 B9R0.2 CCSCCCSC(=O)C 62a_100000038929_100000210202 [0,1,0,0,0,0|0,1,0]=2 1564 B9R0.2 CCSCCCSC(=O)C 62a_100000210202_100000038929 [0,1,0,0,0,0|0,1,0]=2 1565 B9R0.2 CCSCCNCC(=O)N 2230a_100000106463_100000747473 [0,1,0,0,0,0|3,0,0]=4 1566 B9R0.2 CCSCCNCC(=O)N 2230a_100000711301_100000757381 [0,1,0,0,0,0|3,0,0]=4 1567 B9R0.2 CCSCCNCC(=O)O 269956a_100016091260_100000757381 [0,1,0,0,0,0|3,0,0]=4 1568 B9R0.2 CCSCCOCC(=O)C 34a_100000211253_100000757381 [0,1,0,0,0,0|2,0,0]=3 1569 B9R0.2 CCSCCOCC(=O)N 34a_100000212035_100000187820 [0,1,0,0,0,0|3,0,0]=4 1570 B9R0.2 CCSCCOCC(=O)N 62a_100000076697_100000210202 [0,1,0,0,0,0|3,0,0]=4 1571 B9R0.2 CCSCCOCC(=O)N 62a_100000210202_100000076697 [0,1,0,0,0,0|3,0,0]=4 1572 B9R0.2 CCSCCOCC(=O)N 7a_100000212035_100000187820 [0,1,0,0,0,0|3,0,0]=4 1573 B9R0.2 CCSCCOCC(=O)[O-] 34a_100000212035_100020667443 [0,1,0,0,0,0|3,0,0]=4 1574 B9R0.2 CCSCCSCC(=O)N 62a_100000747473_100000757381 [0,1,0,0,0,0|3,0,0]=4 1575 B9R0.2 CCSCCSCC(=O)N 62a_100000757381_100000747473 [0,1,0,0,0,0|3,0,0]=4 1576 B9R0.2 CCSCCSCC(=O)[O-] 62a_100000757381_100020667443 [0,1,0,0,0,0|3,0,0]=4 1577 B9R0.2 CCSCCSCC(=O)[O-] 62a_100020667443_100000757381 [0,1,0,0,0,0|3,0,0]=4 1578 B9R0.2 CN(C)CCCCSCF 62a_100015361967_100000690147 [0,1,0,0,0,0|3,0,0]=4 1579 B9R0.2 CNCCCCCC(=O)N 2230a_106832991635_100009817443 [0,1,0,0,0,0|3,0,0]=4 1580 B9R0.2 CNCCCCCC(=O)N 34a_100102657272_100009817443 [0,1,0,0,0,0|3,0,0]=4 1581 B9R0.2 CNCCCCCC(=O)N 7a_106832991635_100009817443 [0,1,0,0,0,0|3,0,0]=4 1582 B9R0.2 CNCCCCNC(=O)C 2230a_200011368371_200000210301 [0,1,0,0,0,0|2,0,0]=3 1583 B9R0.2 CNCCCCNC(=O)C 34a_200011368371_200000210301 [0,1,0,0,0,0|2,0,0]=3 1584 B9R0.2 CNCCCCOC(=O)C 34a_100102657272_100000033659 [0,1,0,0,0,0|1,0,0]=2 1585 B9R0.2 CNCCCCOC(=O)C 7a_106832991635_100000033659 [0,1,0,0,0,0|1,0,0]=2 1586 B9R0.2 CNCCCCO[N+](=O)[O-] 34a_100102657272_100015694321 [0,1,0,0,0,0|3,0,0]=4 1587 B9R0.2 CNCCCCO[N+](=O)[O-] 7a_106832991635_100015694321 [0,1,0,0,0,0|3,0,0]=4 1588 B9R0.2 CNCCCCSC(=O)C 2230a_106832991635_200010402107 [0,1,0,0,0,0|1,1,0]=3 1589 B9R0.2 CNCCCCSC(=O)C 34a_100102657272_200010402107 [0,1,0,0,0,0|1,1,0]=3 1590 B9R0.2 CNCCCCSC(=O)C 7a_106832991635_200010402107 [0,1,0,0,0,0|1,1,0]=3 1591 B9R0.2 CNCCCOCC(=O)N 34a_100000213112_100000187820 [0,1,0,0,0,0|2,0,0]=3 1592 B9R0.2 CNCCCOCC(=O)[O-] 34a_100000213112_100020667443 [0,1,0,0,0,0|2,0,0]=3 1593 B9R0.2 CNCCCOCC(C)C 2230a_100000205972_200000210301 [0,1,0,0,0,0|2,0,1]=4 1594 B9R0.2 CNCCCOCC(C)C 34a_100000205972_200000210301 [0,1,0,0,0,0|2,0,1]=4 1595 B9R0.2 CNCCCOCC(C)C 34a_100000213112_100000210624 [0,1,0,0,0,0|2,0,1]=4 1596 B9R0.2 CNCCCOCC(C)O 34a_100000213112_100011218427 [0,1,0,0,0,0|1,0,2]=4 1597 B9R0.2 CNCCCOC[C@@H](C)O 34a_100000213112_100009817552 [0,1,0,0,0,0|1,0,2]=4 1598 B9R0.2 CNCCCOC[N+](=O)[O-] 34a_100000213112_100000761209 [0,1,0,0,0,0|3,0,0]=4 1599 B9R0.2 CNCOCCOC(=O)C 34a_100102657272_100000076355 [0,1,0,0,0,0|1,0,0]=2 1600 B9R0.2 COCCCCCC(=O)C 1458a_100011935119_200000210301 [0,1,0,0,0,0|1,1,0]=3 1601 B9R0.2 COCCCCCC(=O)N 34a_100000123541_200000210301 [0,1,0,0,0,0|2,1,0]=4 1602 B9R0.2 COCCCCCC(=O)N 34a_100138415774_100009817443 [0,1,0,0,0,0|2,1,0]=4 1603 B9R0.2 COCCCCCC(=O)N 7a_100000123541_200000210301 [0,1,0,0,0,0|2,1,0]=4 1604 B9R0.2 COCCCCCC(=O)[13CH3] 1458a_100011935119_200025704644 [0,1,0,0,0,0|1,1,0]=3 1605 B9R0.2 COCCCCCC(=O)[O-] 7a_100102619762_200000210301 [0,1,0,0,0,0|2,1,0]=4 1606 B9R0.2 COCCCCOC(=O)C 34a_100000073216_200000210301 [0,1,0,0,0,0|0,1,0]=2 1607 B9R0.2 COCCCCOC(=O)C 34a_100138415774_100000033659 [0,1,0,0,0,0|0,1,0]=2 1608 B9R0.2 COCCCCOC(=O)C 7a_100000073216_200000210301 [0,1,0,0,0,0|0,1,0]=2 1609 B9R0.2 COCCCCOC(C)C 34a_100000212225_100000755781 [0,1,0,0,0,0|1,1,1]=4 1610 B9R0.2 COCCCCOC(C)C 34a_100000740925_100000210206 [0,1,0,0,0,0|1,1,1]=4 1611 B9R0.2 COCCCCO[N+](=O)[O-] 34a_100138415774_100015694321 [0,1,0,0,0,0|2,1,0]=4 1612 B9R0.2 COCCCCSC(=O)C 34a_100138415774_200010402107 [0,1,0,0,0,0|0,2,0]=3 1613 B9R0.2 COCCCNCC(=O)N 2230a_100000711301_100000740836 [0,1,0,0,0,0|2,1,0]=4 1614 B9R0.2 COCCCNCC(=O)N 34a_100150723488_100000187820 [0,1,0,0,0,0|2,1,0]=4 1615 B9R0.2 COCCCNCC(=O)O 269956a_100016091260_100000740836 [0,1,0,0,0,0|2,1,0]=4 1616 B9R0.2 COCCCNCC(=O)[O-] 34a_100150723488_100020667443 [0,1,0,0,0,0|2,1,0]=4 1617 B9R0.2 COCCCNNC(=O)C 22a_100025702787_100000070787 [0,1,0,0,0,0|1,1,0]=3 1618 B9R0.2 COCCCOCC(=O)C 34a_100000211253_100000740836 [0,1,0,0,0,0|0,1,0]=2 1619 B9R0.2 COCCCOCC(=O)N 34a_100000740835_100000187820 [0,1,0,0,0,0|1,1,0]=3 1620 B9R0.2 COCCCOCC(=O)[O-] 34a_100000740835_100020667443 [0,1,0,0,0,0|1,1,0]=3 1621 B9R0.2 COCCCOCC(C)Br 34a_100012180447_100000740836 [0,1,0,0,0,0|1,1,1]=4 1622 B9R0.2 COCCCOCC(C)C 34a_100000210257_100000740836 [0,1,0,0,0,0|1,1,1]=4 1623 B9R0.2 COCCCOCC(C)C 34a_100000740835_100000210624 [0,1,0,0,0,0|1,1,1]=4 1624 B9R0.2 COCCCOCC(C)F 34a_100015925927_100000740836 [0,1,0,0,0,0|1,1,1]=4 1625 B9R0.2 COCCCOCC(C)O 34a_100000740835_100011218427 [0,1,0,0,0,0|0,1,2]=4 1626 B9R0.2 COCCCOC[C@@H](C)Cl 34a_100016084084_100000740836 [0,1,0,0,0,0|1,1,1]=4 1627 B9R0.2 COCCCOC[C@@H](C)N 34a_100000737577_100000740836 [0,1,0,0,0,0|1,1,1]=4 1628 B9R0.2 COCCCOC[C@@H](C)O 34a_100000740835_100009817552 [0,1,0,0,0,0|0,1,2]=4 1629 B9R0.2 COCCCOC[N+](=O)[O-] 34a_100000740835_100000761209 [0,1,0,0,0,0|2,1,0]=4 1630 B9R0.2 COCCCSCC(=O)N 62a_100000709357_100000747473 [0,1,0,0,0,0|1,2,0]=4 1631 B9R0.2 COCCCSCC(=O)N 62a_100000747473_100000709357 [0,1,0,0,0,0|1,2,0]=4 1632 B9R0.2 COCCCSCC(=O)[O-] 62a_100000709357_100020667443 [0,1,0,0,0,0|1,2,0]=4 1633 B9R0.2 COCCCSCC(=O)[O-] 62a_100020667443_100000709357 [0,1,0,0,0,0|1,2,0]=4 1634 B9R0.2 COCCNCC=C(C)C 2230a_100000209980_100000761012 [0,1,0,0,0,0|2,1,0]=4 1635 B9R0.2 COCCNCC=C(C)C 34a_100000718196_100011201679 [0,1,0,0,0,0|2,1,0]=4 1636 B9R0.2 COCCNCCC(=O)N 2230a_100000209980_100000744528 [0,1,0,0,0,0|2,1,0]=4 1637 B9R0.2 COCCNCOC(C)C 2230a_100000209980_100000709892 [0,1,0,0,0,0|1,1,1]=4 1638 B9R0.2 COCCNOCC(=O)O 269956a_100000106656_100000233755 [0,1,0,0,0,0|2,1,0]=4 1639 B9R0.2 COCCOCC=C(C)C 34a_100000210237_100000761012 [0,1,0,0,0,0|2,1,0]=4 1640 B9R0.2 COCCOCC=C(C)C 34a_100000753907_100011201679 [0,1,0,0,0,0|2,1,0]=4 1641 B9R0.2 COCCOCCC(=O)C 1458a_100000070787_100000695917 [0,1,0,0,0,0|1,1,0]=3 1642 B9R0.2 COCCOCCC(=O)C 1458a_100000745395_200000210301 [0,1,0,0,0,0|1,1,0]=3 1643 B9R0.2 COCCOCCC(=O)C 34a_100000759926_100011201679 [0,1,0,0,0,0|1,1,0]=3 1644 B9R0.2 COCCOCCC(=O)C 7a_100000759926_100000233755 [0,1,0,0,0,0|1,1,0]=3 1645 B9R0.2 COCCOCCC(=O)N 34a_100000210237_100000731001 [0,1,0,0,0,0|2,1,0]=4 1646 B9R0.2 COCCOCCC(=O)N 34a_100000757172_100011201679 [0,1,0,0,0,0|2,1,0]=4 1647 B9R0.2 COCCOCCC(=O)N 7a_100000757172_100000233755 [0,1,0,0,0,0|2,1,0]=4 1648 B9R0.2 COCCOCCC(=O)[13CH3] 1458a_100000745395_200025704644 [0,1,0,0,0,0|1,1,0]=3 1649 B9R0.2 COCCOCOC(=O)C 34a_100000210237_100009813279 [0,1,0,0,0,0|0,1,0]=2 1650 B9R0.2 COCCOCOC(C)C 34a_100000210237_100000709892 [0,1,0,0,0,0|1,1,1]=4 1651 B9R0.2 COCCSCC=C(C)C 62a_100000233755_100000761012 [0,1,0,0,0,0|2,1,0]=4 1652 B9R0.2 COCCSCC=C(C)C 62a_100000761012_100000233755 [0,1,0,0,0,0|2,1,0]=4 1653 B9R0.2 COCCSCCC(=O)C 62a_100000053229_100000233755 [0,1,0,0,0,0|1,1,0]=3 1654 B9R0.2 COCCSCCC(=O)C 62a_100000233755_100000053229 [0,1,0,0,0,0|1,1,0]=3 1655 B9R0.2 COCCSCCC(=O)N 62a_100000233755_100000744528 [0,1,0,0,0,0|2,1,0]=4 1656 B9R0.2 COCCSCCC(=O)N 62a_100000744528_100000233755 [0,1,0,0,0,0|2,1,0]=4 1657 B9R0.2 COCCSCOC(=O)C 62a_100000076356_100000233755 [0,1,0,0,0,0|0,1,0]=2 1658 B9R0.2 COCCSCOC(=O)C 62a_100000233755_100000076356 [0,1,0,0,0,0|0,1,0]=2 1659 B9R0.2 COCCSCOC(C)C 62a_100000233755_100000709892 [0,1,0,0,0,0|1,1,1]=4 1660 B9R0.2 COCCSCOC(C)C 62a_100000709892_100000233755 [0,1,0,0,0,0|1,1,1]=4 1661 B9R0.2 COCNCCCS(=O)C 2230a_200000753449_100000766300 [0,1,0,0,0,0|2,1,0]=4 1662 B9R0.2 COCNCCNC(=O)C 2230a_100000209853_100000766300 [0,1,0,0,0,0|1,1,0]=3 1663 B9R0.2 COCNCCOC(C)C 2230a_100000701111_100000766300 [0,1,0,0,0,0|1,1,1]=4 1664 B9R0.2 COCOCCOC(=O)C 34a_100138415774_100000076355 [0,1,0,0,0,0|0,1,0]=2 1665 B9R0.2 COCSCCC=C(C)C 62a_100000766300_100011217483 [0,1,0,0,0,0|2,1,0]=4 1666 B9R0.2 COCSCCC=C(C)C 62a_100011217483_100000766300 [0,1,0,0,0,0|2,1,0]=4 1667 B9R0.2 COCSCCCC(=O)C 62a_100000766300_100011215641 [0,1,0,0,0,0|1,1,0]=3 1668 B9R0.2 COCSCCCC(=O)C 62a_100011215641_100000766300 [0,1,0,0,0,0|1,1,0]=3 1669 B9R0.2 COCSCCCC(=O)N 62a_100000766300_100102525003 [0,1,0,0,0,0|2,1,0]=4 1670 B9R0.2 COCSCCCC(=O)N 62a_100102525003_100000766300 [0,1,0,0,0,0|2,1,0]=4 1671 B9R0.2 COCSCCNC(=O)C 62a_100000189650_100000766300 [0,1,0,0,0,0|1,1,0]=3 1672 B9R0.2 COCSCCNC(=O)C 62a_100000766300_100000189650 [0,1,0,0,0,0|1,1,0]=3 1673 B9R0.2 COCSCCNC(=O)N 62a_100000766300_200000034859 [0,1,0,0,0,0|2,1,0]=4 1674 B9R0.2 COCSCCNC(=O)N 62a_200000034859_100000766300 [0,1,0,0,0,0|2,1,0]=4 1675 B9R0.2 COCSCCOC(=O)C 62a_100000766300_100009814007 [0,1,0,0,0,0|0,1,0]=2 1676 B9R0.2 COCSCCOC(=O)C 62a_100009814007_100000766300 [0,1,0,0,0,0|0,1,0]=2 1677 B9R0.2 COCSCCOC(=O)N 62a_100000766300_200011214921 [0,1,0,0,0,0|1,1,0]=3 1678 B9R0.2 COCSCCOC(=O)N 62a_200011214921_100000766300 [0,1,0,0,0,0|1,1,0]=3 1679 B9R0.2 COCSCCOC(C)C 62a_100000211751_100000766300 [0,1,0,0,0,0|1,1,1]=4 1680 B9R0.2 COCSCCOC(C)C 62a_100000766300_100000211751 [0,1,0,0,0,0|1,1,1]=4 1681 B9R0.2 CSCCC=NNC(=O)C 4a_100000189765_100000210997 [0,1,0,0,0,0|1,0,1]=3 1682 B9R0.2 CSCCCCCC(=O)N 62a_100009817443_200000210301 [0,1,0,0,0,0|2,0,0]=3 1683 B9R0.2 CSCCCCCC(=O)N 62a_200000210301_100009817443 [0,1,0,0,0,0|2,0,0]=3 1684 B9R0.2 CSCCCCCC(C)C 62a_100000210682_200000210301 [0,1,0,0,0,0|2,0,1]=4 1685 B9R0.2 CSCCCCCC(C)C 62a_200000210301_100000210682 [0,1,0,0,0,0|2,0,1]=4 1686 B9R0.2 CSCCCCOC(=O)C 62a_100000033659_200000210301 [0,1,0,0,0,0|0,0,0]=1 1687 B9R0.2 CSCCCCOC(=O)C 62a_200000210301_100000033659 [0,1,0,0,0,0|0,0,0]=1 1688 B9R0.2 CSCCCCOC(C)C 34a_100011217163_100000210206 [0,1,0,0,0,0|1,0,1]=3 1689 B9R0.2 CSCCCCOC(C)C 7a_100011217163_100000210206 [0,1,0,0,0,0|1,0,1]=3 1690 B9R0.2 CSCCCCO[N+](=O)[O-] 62a_200000210301_100015694321 [0,1,0,0,0,0|2,0,0]=3 1691 B9R0.2 CSCCCCSC(=O)C 62a_200000210301_200010402107 [0,1,0,0,0,0|0,1,0]=2 1692 B9R0.2 CSCCCCSC(=O)C 62a_200010402107_200000210301 [0,1,0,0,0,0|0,1,0]=2 1693 B9R0.2 CSCCCNCC(=O)N 2230a_100000749238_100000747473 [0,1,0,0,0,0|2,0,0]=3 1694 B9R0.2 CSCCCNCC(C)C 2230a_100000749238_100000210760 [0,1,0,0,0,0|2,0,1]=4 1695 B9R0.2 CSCCCNCC(C)C 270004a_100000749238_100000210432 [0,1,0,0,0,0|2,0,1]=4 1696 B9R0.2 CSCCCNCC(C)O 2230a_100000749238_100011218427 [0,1,0,0,0,0|1,0,2]=4 1697 B9R0.2 CSCCCNC[C@@H](C)O 2230a_100000749238_100009817552 [0,1,0,0,0,0|1,0,2]=4 1698 B9R0.2 CSCCCOCC(=O)N 34a_100000690336_100000187820 [0,1,0,0,0,0|1,0,0]=2 1699 B9R0.2 CSCCCOCC(=O)N 7a_100000690336_100000187820 [0,1,0,0,0,0|1,0,0]=2 1700 B9R0.2 CSCCCOCC(=O)[O-] 34a_100000690336_100020667443 [0,1,0,0,0,0|1,0,0]=2 1701 B9R0.2 CSCCCOCC(C)C 34a_100000690336_100000210624 [0,1,0,0,0,0|1,0,1]=3 1702 B9R0.2 CSCCCOCC(C)C 7a_100000690336_100000210760 [0,1,0,0,0,0|1,0,1]=3 1703 B9R0.2 CSCCCOCC(C)O 34a_100000690336_100011218427 [0,1,0,0,0,0|0,0,2]=3 1704 B9R0.2 CSCCCOCC(C)O 7a_100000690336_100011218427 [0,1,0,0,0,0|0,0,2]=3 1705 B9R0.2 CSCCCOCC(F)F 34a_100000690336_100011934356 [0,1,0,0,0,0|2,0,1]=4 1706 B9R0.2 CSCCCOCC(F)F 7a_100000690336_100011934356 [0,1,0,0,0,0|2,0,1]=4 1707 B9R0.2 CSCCCOC[C@@H](C)O 34a_100000690336_100009817552 [0,1,0,0,0,0|0,0,2]=3 1708 B9R0.2 CSCCCOC[C@@H](C)O 7a_100000690336_100009817552 [0,1,0,0,0,0|0,0,2]=3 1709 B9R0.2 CSCCCOC[N+](=O)[O-] 34a_100000690336_100000761209 [0,1,0,0,0,0|2,0,0]=3 1710 B9R0.2 CSCCNCC=C(C)C 2230a_100020590264_100000761012 [0,1,0,0,0,0|2,0,0]=3 1711 B9R0.2 CSCCNCC=C(C)C 34a_100000718196_100000212216 [0,1,0,0,0,0|2,0,0]=3 1712 B9R0.2 CSCCNCCC(=O)N 2230a_100020590264_100000744528 [0,1,0,0,0,0|2,0,0]=3 1713 B9R0.2 CSCCNCCC(C)C 2230a_100020590264_100000210312 [0,1,0,0,0,0|2,0,1]=4 1714 B9R0.2 CSCCNCCC(C)C 269862a_100020590264_100000185833 [0,1,0,0,0,0|2,0,1]=4 1715 B9R0.2 CSCCNCCC(C)O 2230a_100020590264_100012276601 [0,1,0,0,0,0|1,0,2]=4 1716 B9R0.2 CSCCNCCC(C)O 2230a_200000755665_100000751147 [0,1,0,0,0,0|1,0,2]=4 1717 B9R0.2 CSCCNCOC(C)C 2230a_100020590264_100000709892 [0,1,0,0,0,0|1,0,1]=3 1718 B9R0.2 CSCCNOCC(=O)O 269956a_100000106656_100000212216 [0,1,0,0,0,0|2,0,0]=3 1719 B9R0.2 CSCCOCC=C(C)C 34a_100000230434_100000761012 [0,1,0,0,0,0|2,0,0]=3 1720 B9R0.2 CSCCOCC=C(C)C 34a_100000753907_100000212216 [0,1,0,0,0,0|2,0,0]=3 1721 B9R0.2 CSCCOCC=C(C)C 7a_100000230434_100000761012 [0,1,0,0,0,0|2,0,0]=3 1722 B9R0.2 CSCCOCCC(=O)C 34a_100000759926_100000212216 [0,1,0,0,0,0|1,0,0]=2 1723 B9R0.2 CSCCOCCC(=O)C 7a_100000230434_100000053229 [0,1,0,0,0,0|1,0,0]=2 1724 B9R0.2 CSCCOCCC(=O)C 7a_100000759926_100000212216 [0,1,0,0,0,0|1,0,0]=2 1725 B9R0.2 CSCCOCCC(=O)N 34a_100000230434_100000731001 [0,1,0,0,0,0|2,0,0]=3 1726 B9R0.2 CSCCOCCC(=O)N 34a_100000757172_100000212216 [0,1,0,0,0,0|2,0,0]=3 1727 B9R0.2 CSCCOCCC(=O)N 7a_100000230434_100000744528 [0,1,0,0,0,0|2,0,0]=3 1728 B9R0.2 CSCCOCCC(=O)N 7a_100000757172_100000212216 [0,1,0,0,0,0|2,0,0]=3 1729 B9R0.2 CSCCOCCC(C)Br 34a_100009893172_100000212216 [0,1,0,0,0,0|2,0,1]=4 1730 B9R0.2 CSCCOCCC(C)C 34a_100000210254_100000212216 [0,1,0,0,0,0|2,0,1]=4 1731 B9R0.2 CSCCOCCC(C)C 34a_100000230434_100000210312 [0,1,0,0,0,0|2,0,1]=4 1732 B9R0.2 CSCCOCCC(C)C 7a_100000210254_100000212216 [0,1,0,0,0,0|2,0,1]=4 1733 B9R0.2 CSCCOCCC(C)C 7a_100000230434_100000210626 [0,1,0,0,0,0|2,0,1]=4 1734 B9R0.2 CSCCOCCC(C)O 34a_100000230434_100012276601 [0,1,0,0,0,0|1,0,2]=4 1735 B9R0.2 CSCCOCCC(C)O 7a_100000230434_100012276601 [0,1,0,0,0,0|1,0,2]=4 1736 B9R0.2 CSCCOCCN(C)C 7a_100000230434_100000755713 [0,1,0,0,0,0|3,0,0]=4 1737 B9R0.2 CSCCOCC[C@@H](C)N 34a_100000706166_100000212216 [0,1,0,0,0,0|2,0,1]=4 1738 B9R0.2 CSCCOCOC(=O)C 34a_100000230434_100009813279 [0,1,0,0,0,0|0,0,0]=1 1739 B9R0.2 CSCCOCOC(C)C 34a_100000230434_100000709892 [0,1,0,0,0,0|1,0,1]=3 1740 B9R0.2 CSCCSCC=C(C)C 62a_100000212216_100000761012 [0,1,0,0,0,0|2,0,0]=3 1741 B9R0.2 CSCCSCC=C(C)C 62a_100000761012_100000751147 [0,1,0,0,0,0|2,0,0]=3 1742 B9R0.2 CSCCSCCC(=O)C 62a_100000053229_100000751147 [0,1,0,0,0,0|1,0,0]=2 1743 B9R0.2 CSCCSCCC(=O)C 62a_100000212216_100000053229 [0,1,0,0,0,0|1,0,0]=2 1744 B9R0.2 CSCCSCCC(=O)N 62a_100000212216_100000744528 [0,1,0,0,0,0|2,0,0]=3 1745 B9R0.2 CSCCSCCC(=O)N 62a_100000744528_100000751147 [0,1,0,0,0,0|2,0,0]=3 1746 B9R0.2 CSCCSCCC(C)C 62a_100000210312_100000751147 [0,1,0,0,0,0|2,0,1]=4 1747 B9R0.2 CSCCSCCC(C)C 62a_100000212216_100000210312 [0,1,0,0,0,0|2,0,1]=4 1748 B9R0.2 CSCCSCCC(C)O 62a_100000212216_100012276601 [0,1,0,0,0,0|1,0,2]=4 1749 B9R0.2 CSCCSCCC(C)O 62a_100012276601_100000751147 [0,1,0,0,0,0|1,0,2]=4 1750 B9R0.2 CSCCSCCN(C)C 62a_100000212216_100000755713 [0,1,0,0,0,0|3,0,0]=4 1751 B9R0.2 CSCCSCOC(=O)C 62a_100000076356_100000751147 [0,1,0,0,0,0|0,0,0]=1 1752 B9R0.2 CSCCSCOC(=O)C 62a_100000212216_100000076356 [0,1,0,0,0,0|0,0,0]=1 1753 B9R0.2 CSCCSCOC(C)C 62a_100000212216_100000709892 [0,1,0,0,0,0|1,0,1]=3 1754 B9R0.2 CSCCSCOC(C)C 62a_100000709892_100000751147 [0,1,0,0,0,0|1,0,1]=3 1755 B9R0.2 CSCNCCCC(=O)N 34a_100000739312_100011218213 [0,1,0,0,0,0|2,0,0]=3 1756 B9R0.2 CSCNCCCC(C)C 2230a_200000737386_100011218213 [0,1,0,0,0,0|2,0,1]=4 1757 B9R0.2 CSCNCCCC(C)C 34a_200000737386_100011218213 [0,1,0,0,0,0|2,0,1]=4 1758 B9R0.2 CSCNCCCS(=O)C 2230a_200000753449_100011218213 [0,1,0,0,0,0|2,0,0]=3 1759 B9R0.2 CSCNCCNC(=O)C 2230a_100000209853_100011218213 [0,1,0,0,0,0|1,0,0]=2 1760 B9R0.2 CSCNCCNC(=O)N 34a_100020590234_100011218213 [0,1,0,0,0,0|2,0,0]=3 1761 B9R0.2 CSCNCCOC(C)C 2230a_100000701111_100011218213 [0,1,0,0,0,0|1,0,1]=3 1762 B9R0.2 CSCNCCOC(C)C 34a_100000701111_100011218213 [0,1,0,0,0,0|1,0,1]=3 1763 B9R0.2 CSCNCCSC(C)C 2230a_100000731138_100011218213 [0,1,0,0,0,0|1,1,1]=4 1764 B9R0.2 CSCNCCSC(C)C 34a_100000731138_100011218213 [0,1,0,0,0,0|1,1,1]=4 1765 B9R0.2 CSCOCCCC(=O)C 34a_100000759063_100011218213 [0,1,0,0,0,0|1,0,0]=2 1766 B9R0.2 CSCOCCCC(C)C 34a_100000210774_100011218213 [0,1,0,0,0,0|2,0,1]=4 1767 B9R0.2 CSCOCCC[N+](=O)[O-] 34a_200000037920_100011218213 [0,1,0,0,0,0|3,0,0]=4 1768 B9R0.2 CSCOCCNC(=O)C 34a_100000158858_100011218213 [0,1,0,0,0,0|1,0,0]=2 1769 B9R0.2 CSCOCCNC(=O)N 34a_100000181757_100011218213 [0,1,0,0,0,0|2,0,0]=3 1770 B9R0.2 CSCOCCNC(C)C 34a_100000224655_100011218213 [0,1,0,0,0,0|2,0,1]=4 1771 B9R0.2 CSCOCCOC(=O)C 62a_100000076355_200000210301 [0,1,0,0,0,0|0,0,0]=1 1772 B9R0.2 CSCOCCOC(=O)C 62a_200000210301_100000076355 [0,1,0,0,0,0|0,0,0]=1 1773 B9R0.2 CSCOCCOC(C)C 34a_100000211219_100011218213 [0,1,0,0,0,0|1,0,1]=3 1774 B9R0.2 CSCOCCSC(C)C 34a_200011212901_100011218213 [0,1,0,0,0,0|1,1,1]=4 1775 B9R0.2 CSCSCCC=C(C)C 62a_100011217483_100011218213 [0,1,0,0,0,0|2,0,0]=3 1776 B9R0.2 CSCSCCC=C(C)C 62a_100011218213_100011217483 [0,1,0,0,0,0|2,0,0]=3 1777 B9R0.2 CSCSCCC=C(F)F 62a_100011218213_200009816681 [0,1,0,0,0,0|3,0,0]=4 1778 B9R0.2 CSCSCCC=C(F)F 62a_200009816681_100011218213 [0,1,0,0,0,0|3,0,0]=4 1779 B9R0.2 CSCSCCCC(=O)C 62a_100011215641_100011218213 [0,1,0,0,0,0|1,0,0]=2 1780 B9R0.2 CSCSCCCC(=O)C 62a_100011218213_100011215641 [0,1,0,0,0,0|1,0,0]=2 1781 B9R0.2 CSCSCCCC(=O)N 62a_100011218213_100102525003 [0,1,0,0,0,0|2,0,0]=3 1782 B9R0.2 CSCSCCCC(=O)N 62a_100102525003_100011218213 [0,1,0,0,0,0|2,0,0]=3 1783 B9R0.2 CSCSCCCC(C)C 62a_100011214892_100011218213 [0,1,0,0,0,0|2,0,1]=4 1784 B9R0.2 CSCSCCCC(C)C 62a_100011218213_100011214892 [0,1,0,0,0,0|2,0,1]=4 1785 B9R0.2 CSCSCCCC(C)O 62a_100011218213_200000718107 [0,1,0,0,0,0|1,0,2]=4 1786 B9R0.2 CSCSCCCC(C)O 62a_200000718107_100011218213 [0,1,0,0,0,0|1,0,2]=4 1787 B9R0.2 CSCSCCCN(C)C 62a_100011218213_100000757444 [0,1,0,0,0,0|3,0,0]=4 1788 B9R0.2 CSCSCCNC(=O)C 62a_100000189650_100011218213 [0,1,0,0,0,0|1,0,0]=2 1789 B9R0.2 CSCSCCNC(=O)C 62a_100011218213_100000189650 [0,1,0,0,0,0|1,0,0]=2 1790 B9R0.2 CSCSCCNC(=O)N 62a_100011218213_200000034859 [0,1,0,0,0,0|2,0,0]=3 1791 B9R0.2 CSCSCCNC(=O)N 62a_200000034859_100011218213 [0,1,0,0,0,0|2,0,0]=3 1792 B9R0.2 CSCSCCOC(=O)C 62a_100009814007_100011218213 [0,1,0,0,0,0|0,0,0]=1 1793 B9R0.2 CSCSCCOC(=O)C 62a_100011218213_100009814007 [0,1,0,0,0,0|0,0,0]=1 1794 B9R0.2 CSCSCCOC(=O)N 62a_100011218213_200011214921 [0,1,0,0,0,0|1,0,0]=2 1795 B9R0.2 CSCSCCOC(=O)N 62a_200011214921_100011218213 [0,1,0,0,0,0|1,0,0]=2 1796 B9R0.2 CSCSCCOC(C)C 62a_100000211751_100011218213 [0,1,0,0,0,0|1,0,1]=3 1797 B9R0.2 CSCSCCOC(C)C 62a_100011218213_100000211751 [0,1,0,0,0,0|1,0,1]=3 1798 B9R0.2 CSCSCCSC(C)C 62a_100000730970_100011218213 [0,1,0,0,0,0|1,1,1]=4 1799 B9R0.2 CSCSCCSC(C)C 62a_100011218213_100000730970 [0,1,0,0,0,0|1,1,1]=4 1800 B9R0.2 N#CCOCCOC(=O)N 7a_100000766696_100011215382 [0,1,0,0,0,0|3,0,0]=4 1801 B9R0.2 N#CCSCCOC(=O)N 62a_100011215382_200011214921 [0,1,0,0,0,0|3,0,0]=4 1802 B9R0.2 N#CCSCCOC(=O)N 62a_200011214921_100011215382 [0,1,0,0,0,0|3,0,0]=4 1803 B9R0.2 NC(=O)CCCCNCF 34a_100000696515_100015361967 [0,1,0,0,0,0|3,0,0]=4 1804 B9R0.2 NC(=O)CCCCOCF 34a_100012022536_100015361967 [0,1,0,0,0,0|2,1,0]=4 1805 B9R0.2 NC(=O)CCCCOCF 7a_100012022536_100015361967 [0,1,0,0,0,0|2,1,0]=4 1806 B9R0.2 NC(=O)COCCCCBr 34a_100011216708_100000187820 [0,1,0,0,0,0|3,0,0]=4 1807 B9R0.2 NC(=O)COCCCCCl 34a_100000210776_100000187820 [0,1,0,0,0,0|3,0,0]=4 1808 B9R0.2 NC(=O)COCCCCCl 7a_100000210776_100000187820 [0,1,0,0,0,0|3,0,0]=4 1809 B9R0.2 NC(=O)COCCCCF 34a_100011995726_100000187820 [0,1,0,0,0,0|3,0,0]=4 1810 B9R0.2 NC(=O)COCCCCF 7a_100011995726_100000187820 [0,1,0,0,0,0|3,0,0]=4 1811 B9R0.2 NC(=O)COCCCCI 34a_200012148704_100000187820 [0,1,0,0,0,0|3,0,0]=4 1812 B9R0.2 NC(=O)COCCSCF 62a_100000076697_100015361967 [0,1,0,0,0,0|3,0,0]=4 1813 B9R0.2 NC(=O)COCCSCF 62a_100015361967_100000076697 [0,1,0,0,0,0|3,0,0]=4 1814 B9R0.2 NC(=O)OCCNCCF 34a_100000724931_200011214921 [0,1,0,0,0,0|3,0,0]=4 1815 B9R0.2 NC(=O)OCCNCCO 34a_100016990907_200011214921 [0,1,0,0,0,0|3,0,0]=4 1816 B9R0.2 NC(=O)OCCOCC=O 7a_100000766696_200015260668 [0,1,0,0,0,0|3,0,0]=4 1817 B9R0.2 NC(=O)OCCOCCBr 34a_100000211926_200011214921 [0,1,0,0,0,0|3,0,0]=4 1818 B9R0.2 NC(=O)OCCOCCF 7a_100000766696_100011217306 [0,1,0,0,0,0|3,0,0]=4 1819 B9R0.2 NC(=O)OCCOCCO 7a_100000766696_100000211926 [0,1,0,0,0,0|3,0,0]=4 1820 B9R0.2 NC(=O)OCCSCC=O 62a_200011214921_200015260668 [0,1,0,0,0,0|3,0,0]=4 1821 B9R0.2 NC(=O)OCCSCC=O 62a_200015260668_200011214921 [0,1,0,0,0,0|3,0,0]=4 1822 B9R0.2 NC(=O)OCCSCCF 62a_100011217306_200011214921 [0,1,0,0,0,0|3,0,0]=4 1823 B9R0.2 NC(=O)OCCSCCF 62a_200011214921_100011217306 [0,1,0,0,0,0|3,0,0]=4 1824 B9R0.2 NC(=O)OCCSCCO 62a_100000211926_200011214921 [0,1,0,0,0,0|3,0,0]=4 1825 B9R0.2 NC(=O)OCCSCCO 62a_200011214921_100000211926 [0,1,0,0,0,0|3,0,0]=4 1826 B9R0.2 NCCCCOCC(=O)N 34a_100000750430_100000187820 [0,1,0,0,0,0|3,0,0]=4 1827 B9R0.2 NCCCCOCC(=O)[O-] 34a_100000750430_100020667443 [0,1,0,0,0,0|3,0,0]=4 1828 B9R0.2 NCCOCCOC(=O)N 34a_100000210304_200011214921 [0,1,0,0,0,0|3,0,0]=4 1829 B9R0.2 O=C([O-])COCCCCBr 34a_100011216708_100020667443 [0,1,0,0,0,0|3,0,0]=4 1830 B9R0.2 O=C([O-])COCCCCCl 34a_100000210776_100020667443 [0,1,0,0,0,0|3,0,0]=4 1831 B9R0.2 O=C([O-])COCCCCF 34a_100011995726_100020667443 [0,1,0,0,0,0|3,0,0]=4 1832 B9R0.2 O=C([O-])COCCCCI 34a_200012148704_100020667443 [0,1,0,0,0,0|3,0,0]=4 1833 B9R0.2 [13CH3]C(=O)CCCCCCO 1458a_100011996774_200025704644 [0,1,0,0,0,0|2,0,0]=3 1834 B9R0.2 [13CH3]C(=O)CCCCN=[N+]=[N-] 1458a_100000070148_200025704644 [0,1,0,0,0,0|3,0,0]=4 1835 B9R0.2 [13CH3]OCCCCCC(=O)N 34a_100000123541_200025704644 [0,1,0,0,0,0|2,1,0]=4 1836 B9R0.2 [13CH3]OCCCCCC(=O)N 7a_100000123541_200025704644 [0,1,0,0,0,0|2,1,0]=4 1837 B9R0.2 [13CH3]OCCCCCC(=O)[O-] 7a_100102619762_200025704644 [0,1,0,0,0,0|2,1,0]=4 1838 B9R0.2 [13CH3]SCCCCCC(=O)N 62a_100009817443_200025704644 [0,1,0,0,0,0|2,0,0]=3 1839 B9R0.2 [13CH3]SCCCCCC(=O)N 62a_200025704644_100009817443 [0,1,0,0,0,0|2,0,0]=3 1840 B9R0.2 [13CH3]SCCCCO[N+](=O)[O-] 62a_200025704644_100015694321 [0,1,0,0,0,0|2,0,0]=3 1841 B9R0.4 C#CCSC(C)OC(=O)C 62a_100000038162_100009818208 [0,1,0,0,0,0|2,0,1]=4 1842 B9R0.4 C=C(C)CC(=O)CCSC 1458a_100000174002_100000748629 [0,1,0,0,0,0|2,0,1]=4 1843 B9R0.4 C=C(C)CN(C)CCSC 2230a_100000225649_100000751147 [0,1,0,0,0,0|3,0,0]=4 1844 B9R0.4 C=C(C)CN(C)CCSC 2230a_100000686725_100000748629 [0,1,0,0,0,0|3,0,0]=4 1845 B9R0.4 C=C(C)CN(C)CCSC 269982a_100000225649_100000212216 [0,1,0,0,0,0|3,0,0]=4 1846 B9R0.4 C=C(C)CN(C)CCSC 269982a_100000686725_100000748629 [0,1,0,0,0,0|3,0,0]=4 1847 B9R0.4 C=CCSC(C)OC(=O)C 62a_100000210623_100009818208 [0,1,0,0,0,0|2,0,1]=4 1848 B9R0.4 C=CCSC(C)OC(=O)C 62a_100009818208_100000210623 [0,1,0,0,0,0|2,0,1]=4 1849 B9R0.4 CC(=O)OC(C)SCC#N 62a_100009818208_100011215382 [0,1,0,0,0,0|3,0,0]=4 1850 B9R0.4 CC(=O)OC(C)SCC#N 62a_100011215382_100009818208 [0,1,0,0,0,0|3,0,0]=4 1851 B9R0.4 CC(=O)OC(C)SCC=O 62a_100009818208_200015260668 [0,1,0,0,0,0|3,0,0]=4 1852 B9R0.4 CC(=O)OC(C)SCC=O 62a_200015260668_100009818208 [0,1,0,0,0,0|3,0,0]=4 1853 B9R0.4 CC(=O)OC(C)SCCF 62a_100009818208_100011217306 [0,1,0,0,0,0|3,0,0]=4 1854 B9R0.4 CC(=O)OC(C)SCCF 62a_100011217306_100009818208 [0,1,0,0,0,0|3,0,0]=4 1855 B9R0.4 CC(=O)OC(C)SCCO 62a_100000211926_100009818208 [0,1,0,0,0,0|3,0,0]=4 1856 B9R0.4 CC(=O)OC(C)SCCO 62a_100009818208_100000211926 [0,1,0,0,0,0|3,0,0]=4 1857 B9R0.4 CC(C)OC(=O)CCS[13CH3] 62a_100000760027_200025704644 [0,1,0,0,0,0|1,0,2]=4 1858 B9R0.4 CC(C)OC(=O)CCS[13CH3] 62a_200025704644_100000760027 [0,1,0,0,0,0|1,0,2]=4 1859 B9R0.4 CCCCC(C)NC(=O)C 11a_100000126638_100015343762 [0,1,0,0,0,0|2,0,0]=3 1860 B9R0.4 CCCCC(C)NC(=O)C 1626a_100000126638_100015343762 [0,1,0,0,0,0|2,0,0]=3 1861 B9R0.4 CCCCC(C)NC(=O)C 240690a_100000126638_100015343762 [0,1,0,0,0,0|2,0,0]=3 1862 B9R0.4 CCCCC(C)NC(=O)C 527a_100000126638_100103153847 [0,1,0,0,0,0|2,0,0]=3 1863 B9R0.4 CCCCC(C)OC(C)C 34a_100000212225_200011215066 [0,1,0,0,0,0|2,0,1]=4 1864 B9R0.4 CCCCC(C)OC(C)C 34a_100000687866_100000210206 [0,1,0,0,0,0|2,0,1]=4 1865 B9R0.4 CCCCC(C)OC(C)C 7a_100000687866_100000210206 [0,1,0,0,0,0|2,0,1]=4 1866 B9R0.4 CCCSC(C)OC(=O)C 62a_100000210303_100009818208 [0,1,0,0,0,0|2,0,0]=3 1867 B9R0.4 CCCSC(C)OC(=O)C 62a_100009818208_100000210303 [0,1,0,0,0,0|2,0,0]=3 1868 B9R0.4 COCSC(C)OC(=O)C 62a_100000766300_100009818208 [0,1,0,0,0,0|1,1,0]=3 1869 B9R0.4 COCSC(C)OC(=O)C 62a_100009818208_100000766300 [0,1,0,0,0,0|1,1,0]=3 1870 B9R0.4 CSCCC(=O)C=C(C)C 1458a_100000211388_100000751147 [0,1,0,0,0,0|2,0,1]=4 1871 B9R0.4 CSCCC(=O)C=C(C)Cl 1458a_200042562850_100000751147 [0,1,0,0,0,0|2,0,1]=4 1872 B9R0.4 CSCCC(=O)C=C(C)I 1458a_100025716642_100000751147 [0,1,0,0,0,0|2,0,1]=4 1873 B9R0.4 CSCCC(=O)CC(=O)N 1458a_100000174002_100000187820 [0,1,0,0,0,0|2,0,1]=4 1874 B9R0.4 CSCCC(=O)CC(=O)N 1458a_100134613110_100000751147 [0,1,0,0,0,0|2,0,1]=4 1875 B9R0.4 CSCCC(=O)CC(=O)[O-] 1458a_100000174002_100020667443 [0,1,0,0,0,0|2,0,1]=4 1876 B9R0.4 CSCCC(=O)NC(=O)N 62a_200000210301_100000237605 [0,1,0,0,0,0|2,0,1]=4 1877 B9R0.4 CSCCC(=O)OC(C)C 62a_100000760027_200000210301 [0,1,0,0,0,0|1,0,2]=4 1878 B9R0.4 CSCCC(=O)OC(C)C 62a_200000210301_100000760027 [0,1,0,0,0,0|1,0,2]=4 1879 B9R0.4 CSCCN(C)CC(=O)N 2230a_100000686725_100000747473 [0,1,0,0,0,0|3,0,0]=4 1880 B9R0.4 CSCCN(C)CC(=O)N 2230a_100000739694_100000751147 [0,1,0,0,0,0|3,0,0]=4 1881 B9R0.4 CSCCN(C)CC(=O)N 269982a_100000686725_100000187820 [0,1,0,0,0,0|3,0,0]=4 1882 B9R0.4 CSCCN(C)CC(=O)O 269956a_100000746989_100000212216 [0,1,0,0,0,0|3,0,0]=4 1883 B9R0.4 CSCCN(C)CC(=O)[O-] 269982a_100000686725_100020667443 [0,1,0,0,0,0|3,0,0]=4 1884 B9R0.4 CSCOC(C)C=C(C)C 34a_100000717055_100011218213 [0,1,0,0,0,0|3,0,0]=4 1885 B9R0.4 CSCSC(C)OC(=O)C 62a_100009818208_100011218213 [0,1,0,0,0,0|1,0,0]=2 1886 B9R0.4 CSCSC(C)OC(=O)C 62a_100011218213_100009818208 [0,1,0,0,0,0|1,0,0]=2 1887 B9R0.4 [13CH3]SCCC(=O)NC(=O)N 62a_200025704644_100000237605 [0,1,0,0,0,0|2,0,1]=4 1888 B9R0.38 CC(C)(C)OCCCN[13CH3] 2230a_100011250582_200025704644 [0,1,0,0,0,0|2,0,1]=4 1889 B9R0.38 CCCCCNS(=O)(=O)C 40a_100000209983_100000738038 [0,1,0,0,0,0|3,0,0]=4 1890 B9R0.38 CCCCCOC(C)(C)C 34a_100000210253_100000210625 [0,1,0,0,0,0|2,0,1]=4 1891 B9R0.38 CCCCCOC(C)(C)C 34a_100015890283_100000718602 [0,1,0,0,0,0|2,0,1]=4 1892 B9R0.38 CCCCCOC(C)(C)C 7a_100015890283_100000210326 [0,1,0,0,0,0|2,0,1]=4 1893 B9R0.38 CCNCCOS(=O)(=O)C 2230a_100015525214_200000036756 [0,1,0,0,0,0|3,0,0]=4 1894 B9R0.38 CCOCCOS(=O)(=O)C 34a_100121572206_200000036756 [0,1,0,0,0,0|3,0,0]=4 1895 B9R0.38 CCSCCOS(=O)(=O)C 62a_100000210202_200000036756 [0,1,0,0,0,0|3,0,0]=4 1896 B9R0.38 CCSCCOS(=O)(=O)C 62a_200000036756_100000210202 [0,1,0,0,0,0|3,0,0]=4 1897 B9R0.38 CNCCCNS(=O)(=O)C 34a_100000736790_200000210301 [0,1,0,0,0,0|3,0,0]=4 1898 B9R0.38 CNCCCOC(C)(C)C 2230a_100011250582_200000210301 [0,1,0,0,0,0|2,0,1]=4 1899 B9R0.38 CNCCCOC(C)(C)C 34a_100000213112_100000210625 [0,1,0,0,0,0|2,0,1]=4 1900 B9R0.38 COCCCNS(=O)(=O)C 40a_100150723488_100000738038 [0,1,0,0,0,0|2,1,0]=4 1901 B9R0.38 COCCCOC(C)(C)C 34a_100000740835_100000210625 [0,1,0,0,0,0|1,1,1]=4 1902 B9R0.38 COCCCOC(C)(C)C 34a_100015890283_100000740836 [0,1,0,0,0,0|1,1,1]=4 1903 B9R0.38 COCCCOC(C)(C)C 7a_100015890283_100000740836 [0,1,0,0,0,0|1,1,1]=4 1904 B9R0.38 CS(=O)(=O)NCCCN[13CH3] 34a_100000736790_200025704644 [0,1,0,0,0,0|3,0,0]=4 1905 B9R0.38 CSCCCNS(=O)(=O)C 40a_100000749238_100000738038 [0,1,0,0,0,0|2,0,0]=3 1906 B9R0.38 CSCCCOC(C)(C)C 34a_100000690336_100000210625 [0,1,0,0,0,0|1,0,1]=3 1907 B9R0.38 CSCCCOC(F)(F)F 34a_100000690336_200103152311 [0,1,0,0,0,0|2,0,1]=4 1908 B9R0.38 CSCCCOC(F)(F)F 7a_100000690336_200000243211 [0,1,0,0,0,0|2,0,1]=4 1909 B9R0.38 CSCNCCS(=O)(=O)C 2230a_100000740961_100011218213 [0,1,0,0,0,0|3,0,0]=4 1910 B9R0.38 CSCNCCS(=O)(=O)C 34a_100000740961_100011218213 [0,1,0,0,0,0|3,0,0]=4 1911 B9R0.38 CSCOCCS(=O)(=O)C 34a_100000211924_100011218213 [0,1,0,0,0,0|3,0,0]=4 1912 B9R0.38 CSCSCCS(=O)(=O)C 62a_100000731031_100011218213 [0,1,0,0,0,0|3,0,0]=4 1913 B9R0.38 CSCSCCS(=O)(=O)C 62a_100011218213_100000230027 [0,1,0,0,0,0|3,0,0]=4 1914 B9R0.46 C#C/C(=C\COCSC)/C 34a_100016990848_100011218213 [0,1,0,0,0,0|3,0,0]=4 1915 B9R0.46 C#CC(=O)CCCCCC 1458a_100000211873_100000210757 [0,1,0,0,0,0|2,0,1]=4 1916 B9R0.46 C#CC(=O)CCCCOC 1458a_100000211873_100000755781 [0,1,0,0,0,0|1,1,1]=4 1917 B9R0.46 C#CC(C)OCCCCC 34a_100000210253_200000035995 [0,1,0,0,0,0|2,0,1]=4 1918 B9R0.46 C#CC(C)OCCCNC 34a_100000213112_200000035995 [0,1,0,0,0,0|2,0,1]=4 1919 B9R0.46 C#CC(C)OCCCOC 34a_100000740835_200000035995 [0,1,0,0,0,0|1,1,1]=4 1920 B9R0.46 C#CC(C)OCCCSC 34a_100000690336_200000035995 [0,1,0,0,0,0|1,0,1]=3 1921 B9R0.46 C#CCCCCC(=O)CC 1458a_100000210414_100010269958 [0,1,0,0,0,0|2,0,1]=4 1922 B9R0.46 C#CCCCCC(=O)CC 1458a_100000696528_100000210202 [0,1,0,0,0,0|2,0,1]=4 1923 B9R0.46 C#CCCCCC(=O)CF 1458a_100000696528_100015361967 [0,1,0,0,0,0|2,0,1]=4 1924 B9R0.46 C#CCCCCC(=O)CO 1458a_100000210174_100010269958 [0,1,0,0,0,0|2,0,1]=4 1925 B9R0.46 C#CCCCCC(=O)NC 11a_106832991635_100000696528 [0,1,0,0,0,0|2,0,1]=4 1926 B9R0.46 C#CCCCCC(=O)NC 1626a_100102657272_100000696528 [0,1,0,0,0,0|2,0,1]=4 1927 B9R0.46 C#CCCCCC(=O)NC 240690a_100102657272_100000696528 [0,1,0,0,0,0|2,0,1]=4 1928 B9R0.46 C#CCCCCC(=O)NC 527a_100102657272_100000696528 [0,1,0,0,0,0|2,0,1]=4 1929 B9R0.46 C#CCCCNC(=O)CC 11a_100000718082_100000210414 [0,1,0,0,0,0|2,0,1]=4 1930 B9R0.46 C#CCCCNC(=O)CC 1626a_100000718082_100000210414 [0,1,0,0,0,0|2,0,1]=4 1931 B9R0.46 C#CCCCNC(=O)CC 240690a_100000718082_100000210414 [0,1,0,0,0,0|2,0,1]=4 1932 B9R0.46 C#CCCCNC(=O)CC 527a_100000718082_100000210414 [0,1,0,0,0,0|2,0,1]=4 1933 B9R0.46 C#CCCCNC(=O)CO 240690a_100000718082_100000210174 [0,1,0,0,0,0|2,0,1]=4 1934 B9R0.46 C#CCCCNC(=O)CO 527a_100000718082_100000210174 [0,1,0,0,0,0|2,0,1]=4 1935 B9R0.46 C#CCCCNC(=O)NC 2708a_100000718082_106832991635 [0,1,0,0,0,0|2,0,1]=4 1936 B9R0.46 C#CCCCNC(=O)NC 2708a_100102657272_100000718082 [0,1,0,0,0,0|2,0,1]=4 1937 B9R0.46 C#CCCCNC(=O)NC 273464a_100000718082_100102657272 [0,1,0,0,0,0|2,0,1]=4 1938 B9R0.46 C#CCCCNC(=O)NC 273464a_100102657272_100000718082 [0,1,0,0,0,0|2,0,1]=4 1939 B9R0.46 C#CCCCNC(=O)NC 512a_100000718082_100102657272 [0,1,0,0,0,0|2,0,1]=4 1940 B9R0.46 C#CCCCNC(=O)NC 512a_106832991638_100000718082 [0,1,0,0,0,0|2,0,1]=4 1941 B9R0.46 C#CCSCOC(=O)OC 62a_100000038162_100000139417 [0,1,0,0,0,0|2,0,1]=4 1942 B9R0.46 C#C[C@@H](C)OCCCCC 34a_100009815206_100000718602 [0,1,0,0,0,0|2,0,1]=4 1943 B9R0.46 C#C[C@@H](C)OCCCCC 7a_100009815206_100000210326 [0,1,0,0,0,0|2,0,1]=4 1944 B9R0.46 C#C[C@@H](C)OCCCOC 34a_100009815206_100000740836 [0,1,0,0,0,0|1,1,1]=4 1945 B9R0.46 C#C[C@@H](C)OCCCOC 7a_100009815206_100000740836 [0,1,0,0,0,0|1,1,1]=4 1946 B9R0.46 C=CC(=O)CCCCCC 1458a_100000185746_100000210757 [0,1,0,0,0,0|2,0,1]=4 1947 B9R0.46 C=CC(=O)CCCCOC 1458a_100000185746_100000755781 [0,1,0,0,0,0|1,1,1]=4 1948 B9R0.46 C=CC(=O)NCCCCC 1626a_100000209983_100000185746 [0,1,0,0,0,0|2,0,1]=4 1949 B9R0.46 C=CC(=O)NCCCCC 240690a_100000209983_200121576911 [0,1,0,0,0,0|2,0,1]=4 1950 B9R0.46 C=CC(=O)NCCCOC 1626a_100150723488_100000185746 [0,1,0,0,0,0|1,1,1]=4 1951 B9R0.46 C=CC(=O)NCCCOC 240690a_100150723488_200121576911 [0,1,0,0,0,0|1,1,1]=4 1952 B9R0.46 C=CC(=O)NCCCSC 1626a_100000749238_100000185746 [0,1,0,0,0,0|1,0,1]=3 1953 B9R0.46 C=CC(=O)NCCCSC 240690a_100000749238_200121576911 [0,1,0,0,0,0|1,0,1]=3 1954 B9R0.46 C=CC(=O)OCCNCC 2230a_100015525214_100009813456 [0,1,0,0,0,0|2,0,1]=4 1955 B9R0.46 C=CC(=O)OCCOCC 34a_100121572206_100009813456 [0,1,0,0,0,0|2,0,1]=4 1956 B9R0.46 C=CC(=O)OCCSCC 62a_100000210202_100009813456 [0,1,0,0,0,0|2,0,1]=4 1957 B9R0.46 C=CC(=O)OCCSCC 62a_100009813456_100000210202 [0,1,0,0,0,0|2,0,1]=4 1958 B9R0.46 C=CC(C)OCCCCC 34a_100000695699_100000718602 [0,1,0,0,0,0|2,0,1]=4 1959 B9R0.46 C=CC(C)OCCCOC 34a_100000695699_100000740836 [0,1,0,0,0,0|1,1,1]=4 1960 B9R0.46 C=CCCCCC(=O)CC 1458a_100000210414_100011215482 [0,1,0,0,0,0|2,0,1]=4 1961 B9R0.46 C=CCCCCC(=O)CC 1458a_100011215552_100000210202 [0,1,0,0,0,0|2,0,1]=4 1962 B9R0.46 C=CCCCCC(=O)CF 1458a_100011215552_100015361967 [0,1,0,0,0,0|2,0,1]=4 1963 B9R0.46 C=CCCCCC(=O)CO 1458a_100000210174_100011215482 [0,1,0,0,0,0|2,0,1]=4 1964 B9R0.46 C=CCCCCC(=O)NC 11a_106832991635_100011215552 [0,1,0,0,0,0|2,0,1]=4 1965 B9R0.46 C=CCCCCC(=O)NC 1626a_100102657272_100011215552 [0,1,0,0,0,0|2,0,1]=4 1966 B9R0.46 C=CCCCCC(=O)NC 240690a_100102657272_100011215552 [0,1,0,0,0,0|2,0,1]=4 1967 B9R0.46 C=CCCCCC(=O)NC 527a_100102657272_100011215552 [0,1,0,0,0,0|2,0,1]=4 1968 B9R0.46 C=CCCCNC(=O)CC 11a_100000700776_100000210414 [0,1,0,0,0,0|2,0,1]=4 1969 B9R0.46 C=CCCCNC(=O)CC 1626a_100000700776_100000210414 [0,1,0,0,0,0|2,0,1]=4 1970 B9R0.46 C=CCCCNC(=O)CC 240690a_100000700776_100000210414 [0,1,0,0,0,0|2,0,1]=4 1971 B9R0.46 C=CCCCNC(=O)CC 527a_100000700776_100000210414 [0,1,0,0,0,0|2,0,1]=4 1972 B9R0.46 C=CCCCNC(=O)CO 240690a_100000700776_100000210174 [0,1,0,0,0,0|2,0,1]=4 1973 B9R0.46 C=CCCCNC(=O)CO 527a_100000700776_100000210174 [0,1,0,0,0,0|2,0,1]=4 1974 B9R0.46 C=CCCCNC(=O)NC 2708a_100000700776_106832991635 [0,1,0,0,0,0|2,0,1]=4 1975 B9R0.46 C=CCCCNC(=O)NC 2708a_100102657272_100000700776 [0,1,0,0,0,0|2,0,1]=4 1976 B9R0.46 C=CCCCNC(=O)NC 273464a_100000700776_100102657272 [0,1,0,0,0,0|2,0,1]=4 1977 B9R0.46 C=CCCCNC(=O)NC 273464a_100102657272_100000700776 [0,1,0,0,0,0|2,0,1]=4 1978 B9R0.46 C=CCCCNC(=O)NC 512a_100000700776_100102657272 [0,1,0,0,0,0|2,0,1]=4 1979 B9R0.46 C=CCCCNC(=O)NC 512a_106832991638_100000700776 [0,1,0,0,0,0|2,0,1]=4 1980 B9R0.46 C=CCSCOC(=O)OC 62a_100000210623_100000139417 [0,1,0,0,0,0|2,0,1]=4 1981 B9R0.46 CCC(=O)CCCCC#N 1458a_100000210414_100000211819 [0,1,0,0,0,0|3,0,0]=4 1982 B9R0.46 CCC(=O)CCCCCF 1458a_100000210414_100000729378 [0,1,0,0,0,0|3,0,0]=4 1983 B9R0.46 CCC(=O)CCCCCO 1458a_100000210414_100000746330 [0,1,0,0,0,0|3,0,0]=4 1984 B9R0.46 CCC(=O)CCCCCO 1458a_100102619762_100000210202 [0,1,0,0,0,0|3,0,0]=4 1985 B9R0.46 CCC(=O)CCCCOC 1458a_100000210414_100000755781 [0,1,0,0,0,0|1,1,0]=3 1986 B9R0.46 CCC(=O)COCCOC 1458a_100000211095_100000210202 [0,1,0,0,0,0|2,1,0]=4 1987 B9R0.46 CCC(=O)COCCOC 34a_100000725409_100011201679 [0,1,0,0,0,0|2,1,0]=4 1988 B9R0.46 CCC(=O)COCCSC 34a_100000725409_100000212216 [0,1,0,0,0,0|2,0,0]=3 1989 B9R0.46 CCC(=O)COCCSC 7a_100000230434_100000747405 [0,1,0,0,0,0|2,0,0]=3 1990 B9R0.46 CCC(=O)CSCCOC 62a_100000233755_100000747405 [0,1,0,0,0,0|2,1,0]=4 1991 B9R0.46 CCC(=O)CSCCOC 62a_100000747405_100000233755 [0,1,0,0,0,0|2,1,0]=4 1992 B9R0.46 CCC(=O)CSCCSC 62a_100000212216_100000747405 [0,1,0,0,0,0|2,0,0]=3 1993 B9R0.46 CCC(=O)CSCCSC 62a_100000747405_100000751147 [0,1,0,0,0,0|2,0,0]=3 1994 B9R0.46 CCC(=O)NCCCCO 240690a_100000750430_100000210414 [0,1,0,0,0,0|3,0,0]=4 1995 B9R0.46 CCC(=O)NCCCCO 527a_100000750430_100000210414 [0,1,0,0,0,0|3,0,0]=4 1996 B9R0.46 CCC(=O)NCCCOC 1626a_100150723488_100000210414 [0,1,0,0,0,0|1,1,0]=3 1997 B9R0.46 CCC(=O)NCCCOC 240690a_100150723488_100000210414 [0,1,0,0,0,0|1,1,0]=3 1998 B9R0.46 CCC(=O)NCCCOC 527a_100150723488_100000210414 [0,1,0,0,0,0|1,1,0]=3 1999 B9R0.46 CCC(=O)NCCCSC 11a_100000749238_100000210414 [0,1,0,0,0,0|1,0,0]=2 2000 B9R0.46 CCC(=O)NCCCSC 1626a_100000749238_100000210414 [0,1,0,0,0,0|1,0,0]=2 2001 B9R0.46 CCC(=O)NCCCSC 240690a_100000749238_100000210414 [0,1,0,0,0,0|1,0,0]=2 2002 B9R0.46 CCC(=O)NCCCSC 527a_100000749238_100000210414 [0,1,0,0,0,0|1,0,0]=2 2003 B9R0.46 CCC(=O)NNCCOC 22a_100000741390_100000210414 [0,1,0,0,0,0|2,1,0]=4 2004 B9R0.46 CCC(=O)OCCOCF 7a_200000031056_100015361967 [0,1,0,0,0,0|3,0,0]=4 2005 B9R0.46 CCC(C)NCCCSC 2230a_100000749238_100000758301 [0,1,0,0,0,0|2,0,1]=4 2006 B9R0.46 CCC(C)OCCCNC 34a_100000213112_100011215416 [0,1,0,0,0,0|2,0,1]=4 2007 B9R0.46 CCC(C)OCCCOC 34a_100000740835_100011215416 [0,1,0,0,0,0|1,1,1]=4 2008 B9R0.46 CCC(C)OCCCOC 7a_100000210228_100000740836 [0,1,0,0,0,0|1,1,1]=4 2009 B9R0.46 CCC(C)OCCCSC 34a_100000690336_100011215416 [0,1,0,0,0,0|1,0,1]=3 2010 B9R0.46 CCC(C)OCCCSC 7a_100000690336_100000758301 [0,1,0,0,0,0|1,0,1]=3 2011 B9R0.46 CCCCC=CC(=O)CC 1458a_100016266645_100000210202 [0,1,0,0,0,0|2,0,1]=4 2012 B9R0.46 CCCCC=CC(=O)CF 1458a_100016266645_100015361967 [0,1,0,0,0,0|2,0,1]=4 2013 B9R0.46 CCCCC=CC(=O)NC 11a_106832991635_100016266645 [0,1,0,0,0,0|2,0,1]=4 2014 B9R0.46 CCCCC=CC(=O)NC 1626a_100102657272_100016266645 [0,1,0,0,0,0|2,0,1]=4 2015 B9R0.46 CCCCC=CC(=O)NC 240690a_100102657272_100016266645 [0,1,0,0,0,0|2,0,1]=4 2016 B9R0.46 CCCCCCC(=O)CC 1458a_100000210414_100000210757 [0,1,0,0,0,0|2,0,0]=3 2017 B9R0.46 CCCCCCC(=O)CC 1458a_100102632555_100000210202 [0,1,0,0,0,0|2,0,0]=3 2018 B9R0.46 CCCCCCC(=O)CF 1458a_100102632555_100015361967 [0,1,0,0,0,0|2,0,0]=3 2019 B9R0.46 CCCCCCC(=O)CO 1458a_100000210174_100000210757 [0,1,0,0,0,0|2,0,0]=3 2020 B9R0.46 CCCCCCC(=O)NC 11a_106832991635_100102632555 [0,1,0,0,0,0|2,0,0]=3 2021 B9R0.46 CCCCCCC(=O)NC 1626a_100102657272_100102632555 [0,1,0,0,0,0|2,0,0]=3 2022 B9R0.46 CCCCCCC(=O)NC 240690a_100102657272_100102632555 [0,1,0,0,0,0|2,0,0]=3 2023 B9R0.46 CCCCCCC(=O)NC 527a_100102657272_100102632555 [0,1,0,0,0,0|2,0,0]=3 2024 B9R0.46 CCCCCNC(=O)CC 11a_100000209983_100000210414 [0,1,0,0,0,0|2,0,0]=3 2025 B9R0.46 CCCCCNC(=O)CC 1626a_100000209983_100000210414 [0,1,0,0,0,0|2,0,0]=3 2026 B9R0.46 CCCCCNC(=O)CC 240690a_100000209983_100000210414 [0,1,0,0,0,0|2,0,0]=3 2027 B9R0.46 CCCCCNC(=O)CC 527a_100000209983_100000210414 [0,1,0,0,0,0|2,0,0]=3 2028 B9R0.46 CCCCCNC(=O)CO 240690a_100000209983_100000210174 [0,1,0,0,0,0|2,0,0]=3 2029 B9R0.46 CCCCCNC(=O)CO 527a_100000209983_100000210174 [0,1,0,0,0,0|2,0,0]=3 2030 B9R0.46 CCCCCNC(=O)NC 2708a_100000209983_106832991635 [0,1,0,0,0,0|2,0,0]=3 2031 B9R0.46 CCCCCNC(=O)NC 2708a_100102657272_100000209983 [0,1,0,0,0,0|2,0,0]=3 2032 B9R0.46 CCCCCNC(=O)NC 273464a_100000209983_100102657272 [0,1,0,0,0,0|2,0,0]=3 2033 B9R0.46 CCCCCNC(=O)NC 273464a_100102657272_100000209983 [0,1,0,0,0,0|2,0,0]=3 2034 B9R0.46 CCCCCNC(=O)NC 512a_100000209983_100102657272 [0,1,0,0,0,0|2,0,0]=3 2035 B9R0.46 CCCCCNC(=O)NC 512a_106832991638_100000209983 [0,1,0,0,0,0|2,0,0]=3 2036 B9R0.46 CCCCCOC(C)C#N 34a_100011218135_100000718602 [0,1,0,0,0,0|2,0,1]=4 2037 B9R0.46 CCCCCOC(C)C#N 7a_100000210253_100000703298 [0,1,0,0,0,0|2,0,1]=4 2038 B9R0.46 CCCCCOC(C)CC 34a_100000210253_100011215416 [0,1,0,0,0,0|2,0,1]=4 2039 B9R0.46 CCCCCOC(C)CC 7a_100000210228_100000210326 [0,1,0,0,0,0|2,0,1]=4 2040 B9R0.46 CCCCCOC(C)CC 7a_100000210253_100000758301 [0,1,0,0,0,0|2,0,1]=4 2041 B9R0.46 CCCCCOC(C)CF 34a_100016041109_100000718602 [0,1,0,0,0,0|2,0,1]=4 2042 B9R0.46 CCCCCOC(C)CF 7a_100016041109_100000210326 [0,1,0,0,0,0|2,0,1]=4 2043 B9R0.46 CCCCCOC(C)CN 34a_100000210904_100000718602 [0,1,0,0,0,0|2,0,1]=4 2044 B9R0.46 CCCCCOC(C)CO 34a_100000210253_100012180447 [0,1,0,0,0,0|1,0,2]=4 2045 B9R0.46 CCCCCOC(C)CO 7a_100000210253_100012180447 [0,1,0,0,0,0|1,0,2]=4 2046 B9R0.46 CCCCNCC(=O)CC 7a_106832991798_100000747405 [0,1,0,0,0,0|3,0,0]=4 2047 B9R0.46 CCCCNCC(=O)NC 2230a_100000102301_100000183359 [0,1,0,0,0,0|3,0,0]=4 2048 B9R0.46 CCCCNCC(=O)NC 2230a_100000693194_100000210211 [0,1,0,0,0,0|3,0,0]=4 2049 B9R0.46 CCCCNCC(=O)NC 7a_106832991798_100000183359 [0,1,0,0,0,0|3,0,0]=4 2050 B9R0.46 CCCCNCC(=O)OC 2230a_100000102301_100000747449 [0,1,0,0,0,0|3,0,0]=4 2051 B9R0.46 CCCCNCC(=O)OC 7a_106832991798_100000747449 [0,1,0,0,0,0|3,0,0]=4 2052 B9R0.46 CCCCNNC(=O)CC 22a_100025702795_100000210414 [0,1,0,0,0,0|3,0,0]=4 2053 B9R0.46 CCCCNNC(=O)CO 22a_100025702795_100000210174 [0,1,0,0,0,0|3,0,0]=4 2054 B9R0.46 CCCCNNC(=O)NC 273464a_100102657272_100025702795 [0,1,0,0,0,0|3,0,0]=4 2055 B9R0.46 CCCCNNC(=O)NC 512a_100025702795_100102657272 [0,1,0,0,0,0|3,0,0]=4 2056 B9R0.46 CCCCNNC(=O)NC 512a_106832991638_100025702795 [0,1,0,0,0,0|3,0,0]=4 2057 B9R0.46 CCCCOCC(=O)CC 1458a_100000210414_100011995733 [0,1,0,0,0,0|3,0,0]=4 2058 B9R0.46 CCCCOCC(=O)CC 1458a_100000757543_100000210202 [0,1,0,0,0,0|3,0,0]=4 2059 B9R0.46 CCCCOCC(=O)CC 34a_100000725409_100000210210 [0,1,0,0,0,0|3,0,0]=4 2060 B9R0.46 CCCCOCC(=O)CC 7a_100000210227_100000747405 [0,1,0,0,0,0|3,0,0]=4 2061 B9R0.46 CCCCOCC(=O)CF 1458a_100000757543_100015361967 [0,1,0,0,0,0|3,0,0]=4 2062 B9R0.46 CCCCOCC(=O)CO 1458a_100000210174_100011995733 [0,1,0,0,0,0|3,0,0]=4 2063 B9R0.46 CCCCOCC(=O)NC 11a_106832991635_100000757543 [0,1,0,0,0,0|3,0,0]=4 2064 B9R0.46 CCCCOCC(=O)NC 1626a_100102657272_100000757543 [0,1,0,0,0,0|3,0,0]=4 2065 B9R0.46 CCCCOCC(=O)NC 240690a_100102657272_100000757543 [0,1,0,0,0,0|3,0,0]=4 2066 B9R0.46 CCCCOCC(=O)NC 34a_100000210227_100000183359 [0,1,0,0,0,0|3,0,0]=4 2067 B9R0.46 CCCCOCC(=O)NC 34a_100000750040_100000210210 [0,1,0,0,0,0|3,0,0]=4 2068 B9R0.46 CCCCOCC(=O)NC 527a_100102657272_100000757543 [0,1,0,0,0,0|3,0,0]=4 2069 B9R0.46 CCCCOCC(=O)NC 7a_100000210227_100000183359 [0,1,0,0,0,0|3,0,0]=4 2070 B9R0.46 CCCCOCC(=O)OC 34a_100000210227_100000747449 [0,1,0,0,0,0|3,0,0]=4 2071 B9R0.46 CCCCOCC(=O)OC 7a_100000210227_100000747449 [0,1,0,0,0,0|3,0,0]=4 2072 B9R0.46 CCCCSCC(=O)CC 1458a_100000191162_100000210202 [0,1,0,0,0,0|3,0,0]=4 2073 B9R0.46 CCCCSCC(=O)CC 62a_100000210211_100000747405 [0,1,0,0,0,0|3,0,0]=4 2074 B9R0.46 CCCCSCC(=O)CC 62a_100000747405_100000210210 [0,1,0,0,0,0|3,0,0]=4 2075 B9R0.46 CCCCSCC(=O)CF 1458a_100000191162_100015361967 [0,1,0,0,0,0|3,0,0]=4 2076 B9R0.46 CCCCSCC(=O)NC 11a_106832991635_100000191162 [0,1,0,0,0,0|3,0,0]=4 2077 B9R0.46 CCCCSCC(=O)NC 1626a_100102657272_100000191162 [0,1,0,0,0,0|3,0,0]=4 2078 B9R0.46 CCCCSCC(=O)NC 240690a_100102657272_100000191162 [0,1,0,0,0,0|3,0,0]=4 2079 B9R0.46 CCCCSCC(=O)NC 527a_100102657272_100000191162 [0,1,0,0,0,0|3,0,0]=4 2080 B9R0.46 CCCCSCC(=O)NC 62a_100000183359_100000210210 [0,1,0,0,0,0|3,0,0]=4 2081 B9R0.46 CCCCSCC(=O)NC 62a_100000210211_100000183359 [0,1,0,0,0,0|3,0,0]=4 2082 B9R0.46 CCCCSCC(=O)OC 62a_100000210211_100000747449 [0,1,0,0,0,0|3,0,0]=4 2083 B9R0.46 CCCCSCC(=O)OC 62a_100000747449_100000210210 [0,1,0,0,0,0|3,0,0]=4 2084 B9R0.46 CCCNCCC(=O)NC 2230a_100000738227_100000210303 [0,1,0,0,0,0|3,0,0]=4 2085 B9R0.46 CCCNCCC(=O)NC 34a_100000738227_100000210303 [0,1,0,0,0,0|3,0,0]=4 2086 B9R0.46 CCCOCCC(=O)CC 1458a_100000210414_100011215938 [0,1,0,0,0,0|3,0,0]=4 2087 B9R0.46 CCCOCCC(=O)CO 1458a_100000210174_100011215938 [0,1,0,0,0,0|3,0,0]=4 2088 B9R0.46 CCCOCCC(=O)NC 34a_100000210258_100012179268 [0,1,0,0,0,0|3,0,0]=4 2089 B9R0.46 CCCOCCC(=O)NC 34a_100000754576_100000210303 [0,1,0,0,0,0|3,0,0]=4 2090 B9R0.46 CCCOCCC(=O)OC 34a_100000210258_100000742370 [0,1,0,0,0,0|3,0,0]=4 2091 B9R0.46 CCCSCCC(=O)NC 62a_100000210303_100000737683 [0,1,0,0,0,0|3,0,0]=4 2092 B9R0.46 CCCSCCC(=O)NC 62a_100000737683_100000210303 [0,1,0,0,0,0|3,0,0]=4 2093 B9R0.46 CCCSCCC(=O)OC 62a_100000204255_100000210303 [0,1,0,0,0,0|3,0,0]=4 2094 B9R0.46 CCCSCCC(=O)OC 62a_100000210303_100000204255 [0,1,0,0,0,0|3,0,0]=4 2095 B9R0.46 CCCSCOC(=O)OC 62a_100000210303_100000139417 [0,1,0,0,0,0|2,0,0]=3 2096 B9R0.46 CCNCCCC(=O)NC 2230a_100000740002_100000210202 [0,1,0,0,0,0|3,0,0]=4 2097 B9R0.46 CCNCCCC(=O)NC 2230a_100015525214_100000741757 [0,1,0,0,0,0|3,0,0]=4 2098 B9R0.46 CCNCCCC(=O)NC 34a_100000740002_100000210202 [0,1,0,0,0,0|3,0,0]=4 2099 B9R0.46 CCNCCCC(=O)OC 2230a_100015525214_100011218270 [0,1,0,0,0,0|3,0,0]=4 2100 B9R0.46 CCNCCNC(=O)CC 34a_100132302217_100000210202 [0,1,0,0,0,0|3,0,0]=4 2101 B9R0.46 CCNCCNC(=O)NC 34a_100015205895_100000210202 [0,1,0,0,0,0|3,0,0]=4 2102 B9R0.46 CCOCCCC(=O)CC 1458a_100000210414_100012232248 [0,1,0,0,0,0|3,0,0]=4 2103 B9R0.46 CCOCCCC(=O)CO 1458a_100000210174_100012232248 [0,1,0,0,0,0|3,0,0]=4 2104 B9R0.46 CCOCCCC(=O)NC 34a_100121572206_100000741757 [0,1,0,0,0,0|3,0,0]=4 2105 B9R0.46 CCOCCCC(=O)OC 34a_100121572206_100000742333 [0,1,0,0,0,0|3,0,0]=4 2106 B9R0.46 CCOCCNC(=O)CC 11a_100011200944_100000210414 [0,1,0,0,0,0|3,0,0]=4 2107 B9R0.46 CCOCCNC(=O)CC 1626a_102516460346_100000210414 [0,1,0,0,0,0|3,0,0]=4 2108 B9R0.46 CCOCCNC(=O)CC 240690a_100011200944_100000210414 [0,1,0,0,0,0|3,0,0]=4 2109 B9R0.46 CCOCCNC(=O)CC 34a_200000158885_100000210202 [0,1,0,0,0,0|3,0,0]=4 2110 B9R0.46 CCOCCNC(=O)CC 527a_100011200944_100000210414 [0,1,0,0,0,0|3,0,0]=4 2111 B9R0.46 CCOCCNC(=O)CC 7a_200000158885_100000210202 [0,1,0,0,0,0|3,0,0]=4 2112 B9R0.46 CCOCCNC(=O)CO 240690a_100011200944_100000210174 [0,1,0,0,0,0|3,0,0]=4 2113 B9R0.46 CCOCCNC(=O)CO 527a_100011200944_100000210174 [0,1,0,0,0,0|3,0,0]=4 2114 B9R0.46 CCOCCNC(=O)NC 2708a_100011200944_106832991635 [0,1,0,0,0,0|3,0,0]=4 2115 B9R0.46 CCOCCNC(=O)NC 2708a_100102657272_100011200944 [0,1,0,0,0,0|3,0,0]=4 2116 B9R0.46 CCOCCNC(=O)NC 273464a_100102657272_102516460346 [0,1,0,0,0,0|3,0,0]=4 2117 B9R0.46 CCOCCNC(=O)NC 273464a_102516460346_100102657272 [0,1,0,0,0,0|3,0,0]=4 2118 B9R0.46 CCOCCNC(=O)NC 512a_100011200944_100102657272 [0,1,0,0,0,0|3,0,0]=4 2119 B9R0.46 CCOCCNC(=O)NC 512a_106832991638_100011200944 [0,1,0,0,0,0|3,0,0]=4 2120 B9R0.46 CCOCCNC(=O)OC 34a_100000757965_100000210202 [0,1,0,0,0,0|3,0,0]=4 2121 B9R0.46 CCOCCOC(=O)CC 7a_200000031056_100000210202 [0,1,0,0,0,0|2,0,0]=3 2122 B9R0.46 CCOCCOC(=O)NC 34a_100121572206_200011997002 [0,1,0,0,0,0|2,0,0]=3 2123 B9R0.46 CCOCCOC(=O)OC 34a_100010262106_100000210202 [0,1,0,0,0,0|2,0,0]=3 2124 B9R0.46 CCSCCCC(=O)NC 62a_100000210202_100000741757 [0,1,0,0,0,0|3,0,0]=4 2125 B9R0.46 CCSCCCC(=O)NC 62a_100000741757_100000210202 [0,1,0,0,0,0|3,0,0]=4 2126 B9R0.46 CCSCCCC(=O)OC 62a_100000210202_100011218270 [0,1,0,0,0,0|3,0,0]=4 2127 B9R0.46 CCSCCCC(=O)OC 62a_100011218270_100000210202 [0,1,0,0,0,0|3,0,0]=4 2128 B9R0.46 CCSCCNC(=O)CC 11a_100000106463_100000210414 [0,1,0,0,0,0|3,0,0]=4 2129 B9R0.46 CCSCCNC(=O)CC 1626a_100000106463_100000210414 [0,1,0,0,0,0|3,0,0]=4 2130 B9R0.46 CCSCCNC(=O)CC 240690a_100000106463_100000210414 [0,1,0,0,0,0|3,0,0]=4 2131 B9R0.46 CCSCCNC(=O)CC 527a_100000106463_100000210414 [0,1,0,0,0,0|3,0,0]=4 2132 B9R0.46 CCSCCNC(=O)CO 240690a_100000106463_100000210174 [0,1,0,0,0,0|3,0,0]=4 2133 B9R0.46 CCSCCNC(=O)CO 527a_100000106463_100000210174 [0,1,0,0,0,0|3,0,0]=4 2134 B9R0.46 CCSCCNC(=O)NC 2708a_100000106463_106832991635 [0,1,0,0,0,0|3,0,0]=4 2135 B9R0.46 CCSCCNC(=O)NC 2708a_100102657272_100000106463 [0,1,0,0,0,0|3,0,0]=4 2136 B9R0.46 CCSCCNC(=O)NC 273464a_100000106463_100102657272 [0,1,0,0,0,0|3,0,0]=4 2137 B9R0.46 CCSCCNC(=O)NC 273464a_100102657272_100000106463 [0,1,0,0,0,0|3,0,0]=4 2138 B9R0.46 CCSCCNC(=O)NC 512a_100000106463_100102657272 [0,1,0,0,0,0|3,0,0]=4 2139 B9R0.46 CCSCCNC(=O)NC 512a_106832991638_100000106463 [0,1,0,0,0,0|3,0,0]=4 2140 B9R0.46 CCSCCOC(=O)NC 62a_100000210202_200011997002 [0,1,0,0,0,0|2,0,0]=3 2141 B9R0.46 CCSCCOC(=O)NC 62a_200011997002_100000210202 [0,1,0,0,0,0|2,0,0]=3 2142 B9R0.46 CNC(=O)CCCCCO 240690a_100102657272_100102619762 [0,1,0,0,0,0|3,0,0]=4 2143 B9R0.46 CNC(=O)CCNCOC 2230a_100000738227_100000766300 [0,1,0,0,0,0|2,1,0]=4 2144 B9R0.46 CNC(=O)CCNCSC 2230a_100000738227_100011218213 [0,1,0,0,0,0|2,0,0]=3 2145 B9R0.46 CNC(=O)CCNCSC 34a_100000738227_100011218213 [0,1,0,0,0,0|2,0,0]=3 2146 B9R0.46 CNC(=O)CCOCSC 34a_100000754576_100011218213 [0,1,0,0,0,0|2,0,0]=3 2147 B9R0.46 CNC(=O)CCSCOC 62a_100000737683_100000766300 [0,1,0,0,0,0|2,1,0]=4 2148 B9R0.46 CNC(=O)CCSCOC 62a_100000766300_100000737683 [0,1,0,0,0,0|2,1,0]=4 2149 B9R0.46 CNC(=O)CCSCSC 62a_100000737683_100011218213 [0,1,0,0,0,0|2,0,0]=3 2150 B9R0.46 CNC(=O)CCSCSC 62a_100011218213_100000737683 [0,1,0,0,0,0|2,0,0]=3 2151 B9R0.46 CNC(=O)CNCCOC 2230a_100000209980_100000183359 [0,1,0,0,0,0|2,1,0]=4 2152 B9R0.46 CNC(=O)CNCCOC 2230a_100000693194_100011201679 [0,1,0,0,0,0|2,1,0]=4 2153 B9R0.46 CNC(=O)CNCCSC 2230a_100000693194_100000751147 [0,1,0,0,0,0|2,0,0]=3 2154 B9R0.46 CNC(=O)CNCCSC 2230a_100020590264_100000183359 [0,1,0,0,0,0|2,0,0]=3 2155 B9R0.46 CNC(=O)COCCOC 11a_106832991635_100000211095 [0,1,0,0,0,0|2,1,0]=4 2156 B9R0.46 CNC(=O)COCCOC 1626a_100102657272_100000211095 [0,1,0,0,0,0|2,1,0]=4 2157 B9R0.46 CNC(=O)COCCOC 240690a_100102657272_100000211095 [0,1,0,0,0,0|2,1,0]=4 2158 B9R0.46 CNC(=O)COCCOC 34a_100000210237_100000183359 [0,1,0,0,0,0|2,1,0]=4 2159 B9R0.46 CNC(=O)COCCOC 34a_100000750040_100011201679 [0,1,0,0,0,0|2,1,0]=4 2160 B9R0.46 CNC(=O)COCCOC 527a_100102657272_100000211095 [0,1,0,0,0,0|2,1,0]=4 2161 B9R0.46 CNC(=O)COCCSC 34a_100000230434_100000183359 [0,1,0,0,0,0|2,0,0]=3 2162 B9R0.46 CNC(=O)COCCSC 34a_100000750040_100000212216 [0,1,0,0,0,0|2,0,0]=3 2163 B9R0.46 CNC(=O)COCCSC 7a_100000230434_100000183359 [0,1,0,0,0,0|2,0,0]=3 2164 B9R0.46 CNC(=O)CSCCOC 62a_100000183359_100000233755 [0,1,0,0,0,0|2,1,0]=4 2165 B9R0.46 CNC(=O)CSCCOC 62a_100000233755_100000183359 [0,1,0,0,0,0|2,1,0]=4 2166 B9R0.46 CNC(=O)CSCCSC 62a_100000183359_100000751147 [0,1,0,0,0,0|2,0,0]=3 2167 B9R0.46 CNC(=O)CSCCSC 62a_100000212216_100000183359 [0,1,0,0,0,0|2,0,0]=3 2168 B9R0.46 CNC(=O)NCCCCO 2708a_100000750430_106832991635 [0,1,0,0,0,0|3,0,0]=4 2169 B9R0.46 CNC(=O)NCCCCO 2708a_100102657272_100000750430 [0,1,0,0,0,0|3,0,0]=4 2170 B9R0.46 CNC(=O)NCCCCO 273464a_100000750430_100102657272 [0,1,0,0,0,0|3,0,0]=4 2171 B9R0.46 CNC(=O)NCCCCO 273464a_100102657272_100000750430 [0,1,0,0,0,0|3,0,0]=4 2172 B9R0.46 CNC(=O)NCCCCO 512a_100000750430_100102657272 [0,1,0,0,0,0|3,0,0]=4 2173 B9R0.46 CNC(=O)NCCCCO 512a_106832991638_100000750430 [0,1,0,0,0,0|3,0,0]=4 2174 B9R0.46 CNC(=O)NCCCOC 2708a_100102657272_100150723488 [0,1,0,0,0,0|1,1,0]=3 2175 B9R0.46 CNC(=O)NCCCOC 2708a_100150723488_106832991635 [0,1,0,0,0,0|1,1,0]=3 2176 B9R0.46 CNC(=O)NCCCOC 273464a_100102657272_100150723488 [0,1,0,0,0,0|1,1,0]=3 2177 B9R0.46 CNC(=O)NCCCOC 273464a_100150723488_100102657272 [0,1,0,0,0,0|1,1,0]=3 2178 B9R0.46 CNC(=O)NCCCOC 512a_106832991638_100150723488 [0,1,0,0,0,0|1,1,0]=3 2179 B9R0.46 CNC(=O)NCCCSC 2708a_100000749238_106832991635 [0,1,0,0,0,0|1,0,0]=2 2180 B9R0.46 CNC(=O)NCCCSC 2708a_100102657272_100000749238 [0,1,0,0,0,0|1,0,0]=2 2181 B9R0.46 CNC(=O)NCCCSC 273464a_100000749238_100102657272 [0,1,0,0,0,0|1,0,0]=2 2182 B9R0.46 CNC(=O)NCCCSC 273464a_100102657272_100000749238 [0,1,0,0,0,0|1,0,0]=2 2183 B9R0.46 CNC(=O)NCCCSC 512a_100000749238_100102657272 [0,1,0,0,0,0|1,0,0]=2 2184 B9R0.46 CNC(=O)NCCCSC 512a_106832991638_100000749238 [0,1,0,0,0,0|1,0,0]=2 2185 B9R0.46 CNC(=O)NNCCOC 273464a_100102657272_100000741390 [0,1,0,0,0,0|2,1,0]=4 2186 B9R0.46 CNC(=O)OCCSCF 62a_100015361967_200011997002 [0,1,0,0,0,0|3,0,0]=4 2187 B9R0.46 CNC(=O)OCCSCF 62a_200011997002_100015361967 [0,1,0,0,0,0|3,0,0]=4 2188 B9R0.46 CNCCCCC(=O)OC 2230a_106832991635_100000204269 [0,1,0,0,0,0|2,0,0]=3 2189 B9R0.46 CNCCCCC(=O)OC 34a_100102657272_100000204269 [0,1,0,0,0,0|2,0,0]=3 2190 B9R0.46 CNCCCCC(=O)OC 7a_106832991635_100000204269 [0,1,0,0,0,0|2,0,0]=3 2191 B9R0.46 CNCCCOC(C)CO 34a_100000213112_100012180447 [0,1,0,0,0,0|1,0,2]=4 2192 B9R0.46 CNCCOCC(=O)OC 2230a_106832991635_100000090808 [0,1,0,0,0,0|3,0,0]=4 2193 B9R0.46 CNCCOCC(=O)OC 34a_100102657272_100000090808 [0,1,0,0,0,0|3,0,0]=4 2194 B9R0.46 CNCCOCC(=O)OC 7a_106832991635_100000090808 [0,1,0,0,0,0|3,0,0]=4 2195 B9R0.46 COC(=O)CCCCO[13CH3] 34a_100000059025_200025704644 [0,1,0,0,0,0|1,1,0]=3 2196 B9R0.46 COC(=O)CCCCO[13CH3] 7a_100000059025_200025704644 [0,1,0,0,0,0|1,1,0]=3 2197 B9R0.46 COC(=O)CCCCSC 62a_100000204269_200000210301 [0,1,0,0,0,0|1,0,0]=2 2198 B9R0.46 COC(=O)CCCCSC 62a_200000210301_100000204269 [0,1,0,0,0,0|1,0,0]=2 2199 B9R0.46 COC(=O)CCCCS[13CH3] 62a_100000204269_200025704644 [0,1,0,0,0,0|1,0,0]=2 2200 B9R0.46 COC(=O)CCCCS[13CH3] 62a_200025704644_100000204269 [0,1,0,0,0,0|1,0,0]=2 2201 B9R0.46 COC(=O)CCSCSC 62a_100000204255_100011218213 [0,1,0,0,0,0|2,0,0]=3 2202 B9R0.46 COC(=O)CCSCSC 62a_100011218213_100000204255 [0,1,0,0,0,0|2,0,0]=3 2203 B9R0.46 COC(=O)CNCCSC 2230a_100020590264_100000747449 [0,1,0,0,0,0|2,0,0]=3 2204 B9R0.46 COC(=O)COCCSC 34a_100000230434_100000747449 [0,1,0,0,0,0|2,0,0]=3 2205 B9R0.46 COC(=O)COCCSC 62a_100000090808_200000210301 [0,1,0,0,0,0|2,0,0]=3 2206 B9R0.46 COC(=O)COCCSC 62a_200000210301_100000090808 [0,1,0,0,0,0|2,0,0]=3 2207 B9R0.46 COC(=O)COCCSC 7a_100000230434_100000747449 [0,1,0,0,0,0|2,0,0]=3 2208 B9R0.46 COC(=O)COCCS[13CH3] 62a_100000090808_200025704644 [0,1,0,0,0,0|2,0,0]=3 2209 B9R0.46 COC(=O)COCCS[13CH3] 62a_200025704644_100000090808 [0,1,0,0,0,0|2,0,0]=3 2210 B9R0.46 COC(=O)CSCCSC 62a_100000212216_100000747449 [0,1,0,0,0,0|2,0,0]=3 2211 B9R0.46 COC(=O)CSCCSC 62a_100000747449_100000751147 [0,1,0,0,0,0|2,0,0]=3 2212 B9R0.46 COC(=O)OCCOCF 34a_100010262106_100015361967 [0,1,0,0,0,0|3,0,0]=4 2213 B9R0.46 COC(=O)OCSCC#N 62a_100011215382_100000139417 [0,1,0,0,0,0|3,0,0]=4 2214 B9R0.46 COC(=O)OCSCC=O 62a_200015260668_100000139417 [0,1,0,0,0,0|3,0,0]=4 2215 B9R0.46 COC(=O)OCSCCF 62a_100011217306_100000139417 [0,1,0,0,0,0|3,0,0]=4 2216 B9R0.46 COC(=O)OCSCCO 62a_100000211926_100000139417 [0,1,0,0,0,0|3,0,0]=4 2217 B9R0.46 COC(=O)OCSCSC 62a_100011218213_100000139417 [0,1,0,0,0,0|1,0,0]=2 2218 B9R0.46 COCCCCC(=O)CO 1458a_100000210174_100000755781 [0,1,0,0,0,0|1,1,0]=3 2219 B9R0.46 COCCCCC(=O)OC 34a_100000059025_200000210301 [0,1,0,0,0,0|1,1,0]=3 2220 B9R0.46 COCCCCC(=O)OC 34a_100138415774_100000204269 [0,1,0,0,0,0|1,1,0]=3 2221 B9R0.46 COCCCCC(=O)OC 7a_100000059025_200000210301 [0,1,0,0,0,0|1,1,0]=3 2222 B9R0.46 COCCCNC(=O)CO 240690a_100150723488_100000210174 [0,1,0,0,0,0|1,1,0]=3 2223 B9R0.46 COCCCNC(=O)CO 527a_100150723488_100000210174 [0,1,0,0,0,0|1,1,0]=3 2224 B9R0.46 COCCCOC(C)C#N 34a_100011218135_100000740836 [0,1,0,0,0,0|1,1,1]=4 2225 B9R0.46 COCCCOC(C)CF 34a_100016041109_100000740836 [0,1,0,0,0,0|1,1,1]=4 2226 B9R0.46 COCCCOC(C)CF 7a_100016041109_100000740836 [0,1,0,0,0,0|1,1,1]=4 2227 B9R0.46 COCCCOC(C)CN 34a_100000210904_100000740836 [0,1,0,0,0,0|1,1,1]=4 2228 B9R0.46 COCCCOC(C)CO 34a_100000740835_100012180447 [0,1,0,0,0,0|0,1,2]=4 2229 B9R0.46 COCCNCC(=O)OC 2230a_100000209980_100000747449 [0,1,0,0,0,0|2,1,0]=4 2230 B9R0.46 COCCNNC(=O)CO 22a_100000741390_100000210174 [0,1,0,0,0,0|2,1,0]=4 2231 B9R0.46 COCCOCC(=O)CF 1458a_100000211095_100015361967 [0,1,0,0,0,0|2,1,0]=4 2232 B9R0.46 COCCOCC(=O)OC 34a_100000210237_100000747449 [0,1,0,0,0,0|2,1,0]=4 2233 B9R0.46 COCCOCC(=O)OC 34a_100138415774_100000090808 [0,1,0,0,0,0|2,1,0]=4 2234 B9R0.46 COCCSCC(=O)OC 62a_100000233755_100000747449 [0,1,0,0,0,0|2,1,0]=4 2235 B9R0.46 COCCSCC(=O)OC 62a_100000747449_100000233755 [0,1,0,0,0,0|2,1,0]=4 2236 B9R0.46 COCSCCC(=O)OC 62a_100000204255_100000766300 [0,1,0,0,0,0|2,1,0]=4 2237 B9R0.46 COCSCCC(=O)OC 62a_100000766300_100000204255 [0,1,0,0,0,0|2,1,0]=4 2238 B9R0.46 COCSCOC(=O)OC 62a_100000766300_100000139417 [0,1,0,0,0,0|1,1,0]=3 2239 B9R0.46 CSCCCNC(=O)CO 240690a_100000749238_100000210174 [0,1,0,0,0,0|1,0,0]=2 2240 B9R0.46 CSCCCNC(=O)CO 527a_100000749238_100000210174 [0,1,0,0,0,0|1,0,0]=2 2241 B9R0.46 CSCCCNC(C)C#N 2230a_100000749238_100000184139 [0,1,0,0,0,0|2,0,1]=4 2242 B9R0.46 CSCCCNC(C)CO 2230a_100000749238_100012180447 [0,1,0,0,0,0|1,0,2]=4 2243 B9R0.46 CSCCCOC(C)C#N 7a_100000690336_100000703298 [0,1,0,0,0,0|1,0,1]=3 2244 B9R0.46 CSCCCOC(C)CO 34a_100000690336_100012180447 [0,1,0,0,0,0|0,0,2]=3 2245 B9R0.46 CSCCCOC(C)CO 7a_100000690336_100012180447 [0,1,0,0,0,0|0,0,2]=3 2246 B9R0.46 N#CCCCCC(=O)CO 1458a_100000210174_100000211819 [0,1,0,0,0,0|3,0,0]=4 2247 B9R0.46 O=C(CF)CCCCCO 1458a_100102619762_100015361967 [0,1,0,0,0,0|3,0,0]=4 2248 B9R0.46 O=C(CO)CCCCCF 1458a_100000210174_100000729378 [0,1,0,0,0,0|3,0,0]=4 2249 B9R0.46 O=C(CO)CCCCCO 1458a_100000210174_100000746330 [0,1,0,0,0,0|3,0,0]=4 2250 B9R0.46 O=C(CO)NCCCCO 240690a_100000750430_100000210174 [0,1,0,0,0,0|3,0,0]=4 2251 B9R0.46 O=C(CO)NCCCCO 527a_100000750430_100000210174 [0,1,0,0,0,0|3,0,0]=4 2252 B9R0.47 C=C(C)C(=O)CCCCC 1458a_100000185857_100000210326 [0,1,0,0,0,0|3,0,0]=4 2253 B9R0.47 C=C(C)C(=O)CCCOC 1458a_100000185857_100000740836 [0,1,0,0,0,0|2,1,0]=4 2254 B9R0.47 C=C(C)C(=O)NCCSC 11a_100020590264_100000185857 [0,1,0,0,0,0|3,0,0]=4 2255 B9R0.47 C=C(C)C(=O)NCCSC 1626a_100020590264_100000185857 [0,1,0,0,0,0|3,0,0]=4 2256 B9R0.47 C=C(C)C(=O)OCCSC 62a_100009816335_200000210301 [0,1,0,0,0,0|3,0,0]=4 2257 B9R0.47 C=C(C)C(=O)OCCSC 62a_200000210301_100009816335 [0,1,0,0,0,0|3,0,0]=4 2258 B9R0.47 C=C(C)C(=O)OCCS[13CH3] 62a_100009816335_200025704644 [0,1,0,0,0,0|3,0,0]=4 2259 B9R0.47 C=C(C)C(=O)OCCS[13CH3] 62a_200025704644_100009816335 [0,1,0,0,0,0|3,0,0]=4 2260 B9R0.47 C=C(C)C(C)NCCSC 269862a_100020590264_100011216138 [0,1,0,0,0,0|3,0,0]=4 2261 B9R0.47 CC(=O)N(C)CCCCO 240690a_100000717598_100015343762 [0,1,0,0,0,0|3,0,0]=4 2262 B9R0.47 CCCCCC(C)C(=O)C 1458a_100000070787_200011218191 [0,1,0,0,0,0|2,0,0]=3 2263 B9R0.47 CCCCCC(C)C(=O)C 1458a_100011215998_200000210301 [0,1,0,0,0,0|2,0,0]=3 2264 B9R0.47 CCCCCC(C)C(=O)[13CH3] 1458a_100011215998_200025704644 [0,1,0,0,0,0|2,0,0]=3 2265 B9R0.47 CCCCCN(C)C(=O)C 11a_100000223495_100015343762 [0,1,0,0,0,0|2,0,0]=3 2266 B9R0.47 CCCCCN(C)C(=O)C 1626a_100000223495_100015343762 [0,1,0,0,0,0|2,0,0]=3 2267 B9R0.47 CCCCCN(C)C(=O)C 240690a_100000223495_100015343762 [0,1,0,0,0,0|2,0,0]=3 2268 B9R0.47 CCCCCN(C)C(=O)C 527a_100000223495_100103153847 [0,1,0,0,0,0|2,0,0]=3 2269 B9R0.47 CCCCNC(C)C(=O)C 2230a_100000102301_100009814033 [0,1,0,0,0,0|3,0,0]=4 2270 B9R0.47 CCCCNC(C)C(=O)C 7a_106832991798_100000179758 [0,1,0,0,0,0|3,0,0]=4 2271 B9R0.47 CCCCOC(C)C(=O)C 34a_100000212229_100000210210 [0,1,0,0,0,0|3,0,0]=4 2272 B9R0.47 CCCCOC(C)C(=O)C 7a_100000210227_100000179758 [0,1,0,0,0,0|3,0,0]=4 2273 B9R0.47 CCCCSC(C)C(=O)C 1458a_100000191163_200000210301 [0,1,0,0,0,0|3,0,0]=4 2274 B9R0.47 CCCCSC(C)C(=O)C 62a_100000210211_100009814033 [0,1,0,0,0,0|3,0,0]=4 2275 B9R0.47 CCCCSC(C)C(=O)C 62a_100009814033_100000210210 [0,1,0,0,0,0|3,0,0]=4 2276 B9R0.47 CCCCSC(C)C(=O)[13CH3] 1458a_100000191163_200025704644 [0,1,0,0,0,0|3,0,0]=4 2277 B9R0.47 CCCOCC(=O)C(=O)C 34a_100000210258_100011261029 [0,1,0,0,0,0|3,0,0]=4 2278 B9R0.47 CCCOCC(C)C(=O)C 34a_100000032740_100000210303 [0,1,0,0,0,0|3,0,0]=4 2279 B9R0.47 CCCOCC(C)C(=O)C 7a_100000032740_100000210303 [0,1,0,0,0,0|3,0,0]=4 2280 B9R0.47 CCCSCC(=O)C(=O)C 62a_100000210303_100011261029 [0,1,0,0,0,0|3,0,0]=4 2281 B9R0.47 CCCSCC(=O)C(=O)C 62a_100011261029_100000210303 [0,1,0,0,0,0|3,0,0]=4 2282 B9R0.47 CN(C)C(=O)CCCS[13CH3] 62a_100000737642_200025704644 [0,1,0,0,0,0|3,0,0]=4 2283 B9R0.47 CN(C)C(=O)CCCS[13CH3] 62a_200025704644_100000737642 [0,1,0,0,0,0|3,0,0]=4 2284 B9R0.47 COCCCN(C)C(=O)C 11a_100000224831_100015343762 [0,1,0,0,0,0|1,1,0]=3 2285 B9R0.47 COCCCN(C)C(=O)C 1626a_100000224831_100015343762 [0,1,0,0,0,0|1,1,0]=3 2286 B9R0.47 COCCCN(C)C(=O)C 240690a_100000224831_100015343762 [0,1,0,0,0,0|1,1,0]=3 2287 B9R0.47 COCCCN(C)C(=O)C 527a_100000224831_100103153847 [0,1,0,0,0,0|1,1,0]=3 2288 B9R0.47 COCCNC(C)C(=O)C 2230a_100000209980_100009814033 [0,1,0,0,0,0|2,1,0]=4 2289 B9R0.47 COCCOC(C)C(=O)C 34a_100000212229_100011201679 [0,1,0,0,0,0|2,1,0]=4 2290 B9R0.47 COCCSC(C)C(=O)C 62a_100000233755_100009814033 [0,1,0,0,0,0|2,1,0]=4 2291 B9R0.47 COCCSC(C)C(=O)C 62a_100009814033_100000233755 [0,1,0,0,0,0|2,1,0]=4 2292 B9R0.47 COCSCC(=O)C(=O)C 62a_100000766300_100011261029 [0,1,0,0,0,0|2,1,0]=4 2293 B9R0.47 COCSCC(=O)C(=O)C 62a_100011261029_100000766300 [0,1,0,0,0,0|2,1,0]=4 2294 B9R0.47 CSCCCC(=O)C(C)C 1458a_100000173376_100000210206 [0,1,0,0,0,0|2,0,1]=4 2295 B9R0.47 CSCCCC(=O)N(C)C 11a_100102631434_100000173376 [0,1,0,0,0,0|3,0,0]=4 2296 B9R0.47 CSCCCC(=O)N(C)C 1626a_100102631434_100000173376 [0,1,0,0,0,0|3,0,0]=4 2297 B9R0.47 CSCCCC(=O)N(C)C 240690a_100102631434_100000173376 [0,1,0,0,0,0|3,0,0]=4 2298 B9R0.47 CSCCCC(=O)N(C)C 527a_100102631434_100000173376 [0,1,0,0,0,0|3,0,0]=4 2299 B9R0.47 CSCCCC(=O)N(C)C 62a_100000737642_200000210301 [0,1,0,0,0,0|3,0,0]=4 2300 B9R0.47 CSCCCC(=O)N(C)C 62a_200000210301_100000737642 [0,1,0,0,0,0|3,0,0]=4 2301 B9R0.47 CSCCCC(C)N(C)C 270004a_100102631434_100011399439 [0,1,0,0,0,0|3,0,0]=4 2302 B9R0.47 CSCCNC(=O)C(=O)N 240690a_100020590264_100011215815 [0,1,0,0,0,0|3,0,0]=4 2303 B9R0.47 CSCCNC(C)C(=O)C 2230a_100020590264_100009814033 [0,1,0,0,0,0|2,0,0]=3 2304 B9R0.47 CSCCNC(C)C(=O)N 2230a_100020590264_100000702099 [0,1,0,0,0,0|3,0,0]=4 2305 B9R0.47 CSCCNC(F)C(=O)N 2230a_100020590264_100009813875 [0,1,0,0,0,0|3,0,0]=4 2306 B9R0.47 CSCCN[C@@H](C)C(=O)O 269956a_100000743915_100000212216 [0,1,0,0,0,0|3,0,0]=4 2307 B9R0.47 CSCCN[C@H](C)C(=O)N 2230a_100000119354_100000751147 [0,1,0,0,0,0|3,0,0]=4 2308 B9R0.47 CSCCN[C@H](C)C(=O)N 34a_100000119354_100000212216 [0,1,0,0,0,0|3,0,0]=4 2309 B9R0.47 CSCCOC(C)C(=O)C 34a_100000212229_100000212216 [0,1,0,0,0,0|2,0,0]=3 2310 B9R0.47 CSCCOC(C)C(=O)C 7a_100000230434_100000179758 [0,1,0,0,0,0|2,0,0]=3 2311 B9R0.47 CSCCOC(C)C(=O)N 34a_100000230434_100000702099 [0,1,0,0,0,0|3,0,0]=4 2312 B9R0.47 CSCCOC(C)C(=O)N 7a_100000230434_100000702099 [0,1,0,0,0,0|3,0,0]=4 2313 B9R0.47 CSCCOC(F)C(=O)N 34a_100000230434_100009813875 [0,1,0,0,0,0|3,0,0]=4 2314 B9R0.47 CSCCOC(F)C(=O)N 7a_100000230434_100009813875 [0,1,0,0,0,0|3,0,0]=4 2315 B9R0.47 CSCCOC(F)C(=O)[O-] 34a_100000230434_100020610796 [0,1,0,0,0,0|3,0,0]=4 2316 B9R0.47 CSCCO[C@@H](C)C(=O)[O-] 7a_217856618621_100000212216 [0,1,0,0,0,0|3,0,0]=4 2317 B9R0.47 CSCCO[C@H](C)C(=O)N 34a_100000731257_100000212216 [0,1,0,0,0,0|3,0,0]=4 2318 B9R0.47 CSCCO[C@H](C)C(=O)N 7a_100000731257_100000212216 [0,1,0,0,0,0|3,0,0]=4 2319 B9R0.47 CSCCSC(C)C(=O)C 62a_100000212216_100009814033 [0,1,0,0,0,0|2,0,0]=3 2320 B9R0.47 CSCCSC(C)C(=O)C 62a_100009814033_100000751147 [0,1,0,0,0,0|2,0,0]=3 2321 B9R0.47 CSCCSC(C)C(=O)N 62a_100000212216_100000702099 [0,1,0,0,0,0|3,0,0]=4 2322 B9R0.47 CSCCSC(C)C(=O)N 62a_100000702099_100000751147 [0,1,0,0,0,0|3,0,0]=4 2323 B9R0.47 CSCCSC(F)C(=O)N 62a_100000212216_100009813875 [0,1,0,0,0,0|3,0,0]=4 2324 B9R0.47 CSCCSC(F)C(=O)N 62a_100009813875_100000751147 [0,1,0,0,0,0|3,0,0]=4 2325 B9R0.47 CSCCSC(F)C(=O)[O-] 62a_100000212216_100020610796 [0,1,0,0,0,0|3,0,0]=4 2326 B9R0.47 CSCCSC(F)C(=O)[O-] 62a_100020610796_100000751147 [0,1,0,0,0,0|3,0,0]=4 2327 B9R0.47 CSCNCC(C)C(=O)O 269956a_100000749485_100011218213 [0,1,0,0,0,0|3,0,0]=4 2328 B9R0.47 CSCNCC(F)C(=O)O 269956a_100000084737_100011218213 [0,1,0,0,0,0|3,0,0]=4 2329 B9R0.47 CSCOCC(C)C(=O)C 34a_100000032740_100011218213 [0,1,0,0,0,0|2,0,0]=3 2330 B9R0.47 CSCOC[C@H](N)C(=O)N 34a_100000729942_100011218213 [0,1,0,0,0,0|3,0,0]=4 2331 B9R0.47 CSCSCC(=O)C(=O)C 62a_100011218213_100011261029 [0,1,0,0,0,0|2,0,0]=3 2332 B9R0.47 CSCSCC(=O)C(=O)C 62a_100011261029_100011218213 [0,1,0,0,0,0|2,0,0]=3 2333 B9R0.48 C#CCC(=O)COC(=O)C 1458a_100000183556_100000184674 [0,1,0,0,0,0|1,0,2]=4 2334 B9R0.48 C#CCN(C)COC(=O)C 34a_100000225692_100009813279 [0,1,0,0,0,0|2,0,1]=4 2335 B9R0.48 C=C(C)CCC(=O)CSC 1458a_100000184570_100000730704 [0,1,0,0,0,0|2,0,1]=4 2336 B9R0.48 C=CCC(=O)COC(=O)C 1458a_100000183556_100000210623 [0,1,0,0,0,0|1,0,2]=4 2337 B9R0.48 C=CCN(C)COC(=O)C 269982a_100000225617_100000076356 [0,1,0,0,0,0|2,0,1]=4 2338 B9R0.48 CC(=O)NNC(=O)CS[13CH3] 62a_100000181415_200025704644 [0,1,0,0,0,0|2,0,1]=4 2339 B9R0.48 CC(=O)NNC(=O)CS[13CH3] 62a_200025704644_100000181415 [0,1,0,0,0,0|2,0,1]=4 2340 B9R0.48 CC(=O)OCC(=O)CC#N 1458a_100000183556_100011214920 [0,1,0,0,0,0|2,0,1]=4 2341 B9R0.48 CC(=O)OCC(=O)CCF 1458a_100000183556_100011217306 [0,1,0,0,0,0|2,0,1]=4 2342 B9R0.48 CC(=O)OCC(=O)CCO 1458a_100000183556_100000211926 [0,1,0,0,0,0|2,0,1]=4 2343 B9R0.48 CC(=O)OCC(=O)CS[13CH3] 62a_100000036994_200025704644 [0,1,0,0,0,0|0,0,1]=2 2344 B9R0.48 CC(=O)OCC(=O)CS[13CH3] 62a_200025704644_100000036994 [0,1,0,0,0,0|0,0,1]=2 2345 B9R0.48 CC(=O)OCC(O)CS[13CH3] 62a_200000139349_200025704644 [0,1,0,0,0,0|0,0,0]=1 2346 B9R0.48 CC(=O)OCC(O)CS[13CH3] 62a_200025704644_200000139349 [0,1,0,0,0,0|0,0,0]=1 2347 B9R0.48 CC(=O)OCN(C)CCO 269982a_100000210263_100000076356 [0,1,0,0,0,0|3,0,0]=4 2348 B9R0.48 CC(=O)SCC(C)CS[13CH3] 62a_200000116872_200025704644 [0,1,0,0,0,0|0,1,0]=2 2349 B9R0.48 CC(=O)SCC(C)CS[13CH3] 62a_200025704644_200000116872 [0,1,0,0,0,0|0,1,0]=2 2350 B9R0.48 CCCC(=O)CNC(=O)C 1458a_100000194580_100000210303 [0,1,0,0,0,0|2,0,1]=4 2351 B9R0.48 CCCC(=O)COC(=O)C 1458a_100000183556_100000210303 [0,1,0,0,0,0|1,0,1]=3 2352 B9R0.48 CCCC(=O)CSC(=O)C 1458a_100000049016_100000210303 [0,1,0,0,0,0|1,1,1]=4 2353 B9R0.48 CCCC(C)COC(C)C 34a_100000212225_100011216630 [0,1,0,0,0,0|2,0,1]=4 2354 B9R0.48 CCCC(C)COC(C)C 34a_100000688023_100000210206 [0,1,0,0,0,0|2,0,1]=4 2355 B9R0.48 CCCC(C)COC(C)C 7a_100000688023_100000210206 [0,1,0,0,0,0|2,0,1]=4 2356 B9R0.48 CCCC(C)OCC(=O)C 34a_100000211253_100000766640 [0,1,0,0,0,0|3,0,0]=4 2357 B9R0.48 CCCN(C)CCC(=O)C 269982a_100000747261_100000053229 [0,1,0,0,0,0|3,0,0]=4 2358 B9R0.48 CCCN(C)COC(=O)C 269982a_100000747261_100000076356 [0,1,0,0,0,0|2,0,0]=3 2359 B9R0.48 CCC[C@H](N)COC(C)C 34a_100000732646_100000210206 [0,1,0,0,0,0|2,0,1]=4 2360 B9R0.48 CCNC(=O)COC(=O)C 240690a_100015525214_100000183556 [0,1,0,0,0,0|2,0,1]=4 2361 B9R0.48 CCNC(=O)COC(=O)C 527a_100015525214_100000183556 [0,1,0,0,0,0|2,0,1]=4 2362 B9R0.48 CCNC(C)COC(=O)C 270004a_100015525214_100000000629 [0,1,0,0,0,0|2,0,0]=3 2363 B9R0.48 CNCC(=O)COC(=O)C 34a_100102657272_100000036994 [0,1,0,0,0,0|1,0,1]=3 2364 B9R0.48 CNCC(C)CSC(=O)C 2230a_106832991635_200000116872 [0,1,0,0,0,0|1,1,0]=3 2365 B9R0.48 CNCC(C)CSC(=O)C 34a_100102657272_200000116872 [0,1,0,0,0,0|1,1,0]=3 2366 B9R0.48 CNCC(C)CSC(=O)C 7a_106832991635_200000116872 [0,1,0,0,0,0|1,1,0]=3 2367 B9R0.48 CNCC(O)COC(=O)C 34a_100102657272_200000139349 [0,1,0,0,0,0|1,0,0]=2 2368 B9R0.48 CNCC(O)COC(=O)C 7a_106832991635_200000139349 [0,1,0,0,0,0|1,0,0]=2 2369 B9R0.48 CNNC(=O)COC(=O)C 22a_100016993582_100000183556 [0,1,0,0,0,0|2,0,1]=4 2370 B9R0.48 COCC(=O)COC(=O)C 34a_100138415774_100000036994 [0,1,0,0,0,0|0,1,1]=3 2371 B9R0.48 COCC(C)CSC(=O)C 34a_100138415774_200000116872 [0,1,0,0,0,0|0,2,0]=3 2372 B9R0.48 COCC(C)OCC(=O)C 34a_100000211253_100000765312 [0,1,0,0,0,0|2,1,0]=4 2373 B9R0.48 COCC(N)COC(C)C 34a_100000724102_100000210206 [0,1,0,0,0,0|1,1,1]=4 2374 B9R0.48 COCC(O)CNC(=O)C 240690a_100000756049_100015343762 [0,1,0,0,0,0|1,1,0]=3 2375 B9R0.48 COCC(O)CNC(=O)C 527a_100000756049_100103153847 [0,1,0,0,0,0|1,1,0]=3 2376 B9R0.48 COCC(O)COC(=O)C 34a_100138415774_200000139349 [0,1,0,0,0,0|0,1,0]=2 2377 B9R0.48 COCC(O)COC(C)C 34a_100000212225_100011215053 [0,1,0,0,0,0|1,1,1]=4 2378 B9R0.48 CSCC(=NNC(=O)C)C 4a_100000189765_100011216314 [0,1,0,0,0,0|2,0,1]=4 2379 B9R0.48 CSCC(=O)CC=C(C)C 1458a_100000184570_100000761012 [0,1,0,0,0,0|2,0,1]=4 2380 B9R0.48 CSCC(=O)COC(=O)C 62a_100000036994_200000210301 [0,1,0,0,0,0|0,0,1]=2 2381 B9R0.48 CSCC(=O)COC(=O)C 62a_200000210301_100000036994 [0,1,0,0,0,0|0,0,1]=2 2382 B9R0.48 CSCC(=O)NNC(=O)C 22a_100000189765_100000184570 [0,1,0,0,0,0|2,0,1]=4 2383 B9R0.48 CSCC(=O)NNC(=O)C 62a_100000181415_200000210301 [0,1,0,0,0,0|2,0,1]=4 2384 B9R0.48 CSCC(=O)NNC(=O)C 62a_200000210301_100000181415 [0,1,0,0,0,0|2,0,1]=4 2385 B9R0.48 CSCC(C)CSC(=O)C 62a_200000116872_200000210301 [0,1,0,0,0,0|0,1,0]=2 2386 B9R0.48 CSCC(C)CSC(=O)C 62a_200000210301_200000116872 [0,1,0,0,0,0|0,1,0]=2 2387 B9R0.48 CSCC(O)COC(=O)C 62a_200000139349_200000210301 [0,1,0,0,0,0|0,0,0]=1 2388 B9R0.48 CSCC(O)COC(=O)C 62a_200000210301_200000139349 [0,1,0,0,0,0|0,0,0]=1 2389 B9R0.48 CSCN(C)CCC(=O)N 2230a_100000730477_100011218213 [0,1,0,0,0,0|3,0,0]=4 2390 B9R0.55 C=C(C)CCOCC(=O)C 34a_100000211253_100000730704 [0,1,0,0,0,0|3,0,0]=4 2391 B9R0.55 C=C(C)COCCC(=O)C 34a_100000759926_100000748629 [0,1,0,0,0,0|3,0,0]=4 2392 B9R0.55 C=C(C)COCCC(=O)C 7a_100000759926_100000748629 [0,1,0,0,0,0|3,0,0]=4 2393 B9R0.55 C=C(C)COCOC(=O)C 34a_100000210245_100009813279 [0,1,0,0,0,0|2,0,0]=3 2394 B9R0.55 C=C(C)CSCCC(=O)C 62a_100000053229_100000211660 [0,1,0,0,0,0|3,0,0]=4 2395 B9R0.55 C=C(C)CSCCC(=O)C 62a_100000748629_100000053229 [0,1,0,0,0,0|3,0,0]=4 2396 B9R0.55 C=C(C)CSCOC(=O)C 62a_100000076356_100000211660 [0,1,0,0,0,0|2,0,0]=3 2397 B9R0.55 C=C(C)CSCOC(=O)C 62a_100000748629_100000076356 [0,1,0,0,0,0|2,0,0]=3 2398 B9R0.55 C=C(F)COCOC(=O)C 34a_200010262243_100009813279 [0,1,0,0,0,0|2,0,1]=4 2399 B9R0.55 C=C(F)CSCOC(=O)C 62a_100000042424_100000076356 [0,1,0,0,0,0|2,0,1]=4 2400 B9R0.55 C=C(F)CSCOC(=O)C 62a_100000076356_100000042424 [0,1,0,0,0,0|2,0,1]=4 2401 B9R0.55 CC(=O)CCCCB(O)O 1458a_100000070787_200009817182 [0,1,0,0,0,0|3,0,0]=4 2402 B9R0.55 CC(=O)CCCCC(=O)C 1458a_100000070787_100000735457 [0,1,0,0,0,0|2,0,0]=3 2403 B9R0.55 CC(=O)CCCCC(C)C 1458a_100000070787_100011216152 [0,1,0,0,0,0|2,0,0]=3 2404 B9R0.55 CC(=O)CCCCC(C)C 1458a_100011933920_200000210301 [0,1,0,0,0,0|2,0,0]=3 2405 B9R0.55 CC(=O)CCCCN(C)C 269982a_100102631434_100000735457 [0,1,0,0,0,0|2,0,0]=3 2406 B9R0.55 CC(=O)CCCNC(=O)C 1458a_100000194741_200000210301 [0,1,0,0,0,0|2,0,0]=3 2407 B9R0.55 CC(=O)CCCNC(C)C 34a_100138425928_100000685027 [0,1,0,0,0,0|3,0,0]=4 2408 B9R0.55 CC(=O)CCCOC(=O)C 1458a_100000070787_100000042594 [0,1,0,0,0,0|1,0,0]=2 2409 B9R0.55 CC(=O)CCCOC(=S)C 1458a_100000070787_200135323944 [0,1,0,0,0,0|1,1,0]=3 2410 B9R0.55 CC(=O)CCCOC(C)C 34a_100000212225_100000685027 [0,1,0,0,0,0|2,0,1]=4 2411 B9R0.55 CC(=O)CCCOC(C)C 34a_100000759063_100000210206 [0,1,0,0,0,0|2,0,1]=4 2412 B9R0.55 CC(=O)CCCOC(C)C 7a_100000759063_100000210206 [0,1,0,0,0,0|2,0,1]=4 2413 B9R0.55 CC(=O)CCCSC(=O)C 1458a_100000070787_100000038929 [0,1,0,0,0,0|1,1,0]=3 2414 B9R0.55 CC(=O)CCCSC(C)C 62a_100000210206_100011215641 [0,1,0,0,0,0|3,0,0]=4 2415 B9R0.55 CC(=O)CCCSC(C)C 62a_100011215641_100000210206 [0,1,0,0,0,0|3,0,0]=4 2416 B9R0.55 CC(=O)CCOCC(C)C 34a_100000759926_100000210624 [0,1,0,0,0,0|3,0,0]=4 2417 B9R0.55 CC(=O)CCOCC(C)C 7a_100000759926_100000210760 [0,1,0,0,0,0|3,0,0]=4 2418 B9R0.55 CC(=O)CCOCC(C)O 34a_100000759926_100011218427 [0,1,0,0,0,0|3,0,0]=4 2419 B9R0.55 CC(=O)CCOCC(C)O 7a_100000759926_100011218427 [0,1,0,0,0,0|3,0,0]=4 2420 B9R0.55 CC(=O)CCOC[C@@H](C)O 34a_100000759926_100009817552 [0,1,0,0,0,0|3,0,0]=4 2421 B9R0.55 CC(=O)CCOC[C@@H](C)O 7a_100000759926_100009817552 [0,1,0,0,0,0|3,0,0]=4 2422 B9R0.55 CC(=O)CCSCC(C)C 62a_100000053229_100000210760 [0,1,0,0,0,0|3,0,0]=4 2423 B9R0.55 CC(=O)CCSCC(C)C 62a_100000210624_100000053229 [0,1,0,0,0,0|3,0,0]=4 2424 B9R0.55 CC(=O)CCSCC(C)O 62a_100000053229_100011218427 [0,1,0,0,0,0|3,0,0]=4 2425 B9R0.55 CC(=O)CCSCC(C)O 62a_100011218427_100000053229 [0,1,0,0,0,0|3,0,0]=4 2426 B9R0.55 CC(=O)CCSC[C@@H](C)O 62a_100000053229_100009817552 [0,1,0,0,0,0|3,0,0]=4 2427 B9R0.55 CC(=O)CCSC[C@@H](C)O 62a_100009817552_100000053229 [0,1,0,0,0,0|3,0,0]=4 2428 B9R0.55 CC(=O)COCCC(C)C 34a_100000211253_100000210312 [0,1,0,0,0,0|3,0,0]=4 2429 B9R0.55 CC(=O)COCCC(C)O 34a_100000211253_100012276601 [0,1,0,0,0,0|3,0,0]=4 2430 B9R0.55 CC(=O)COCOC(=O)C 34a_100000211253_100009813279 [0,1,0,0,0,0|2,0,0]=3 2431 B9R0.55 CC(=O)NCCCC(=O)N 240690a_100000739312_100015343762 [0,1,0,0,0,0|3,0,0]=4 2432 B9R0.55 CC(=O)NCCCC(=O)N 527a_100000739312_100103153847 [0,1,0,0,0,0|3,0,0]=4 2433 B9R0.55 CC(=O)NCCCC(=O)[13CH3] 1458a_100000194741_200025704644 [0,1,0,0,0,0|2,0,0]=3 2434 B9R0.55 CC(=O)NCCCC(C)C 11a_200000737386_100015343762 [0,1,0,0,0,0|2,0,0]=3 2435 B9R0.55 CC(=O)NCCCC(C)C 1626a_200000737386_100015343762 [0,1,0,0,0,0|2,0,0]=3 2436 B9R0.55 CC(=O)NCCCC(C)C 240690a_200000737386_100015343762 [0,1,0,0,0,0|2,0,0]=3 2437 B9R0.55 CC(=O)NCCCC(C)C 527a_200000737386_100103153847 [0,1,0,0,0,0|2,0,0]=3 2438 B9R0.55 CC(=O)NCCCN(C)C 240690a_102531767803_100015343762 [0,1,0,0,0,0|2,0,0]=3 2439 B9R0.55 CC(=O)NCCCN(C)C 527a_102531767803_100103153847 [0,1,0,0,0,0|2,0,0]=3 2440 B9R0.55 CC(=O)NCCCS(=O)C 11a_200000753449_100015343762 [0,1,0,0,0,0|1,0,1]=3 2441 B9R0.55 CC(=O)NCCCS(=O)C 240690a_200000753449_100015343762 [0,1,0,0,0,0|1,0,1]=3 2442 B9R0.55 CC(=O)NCCCS(=O)C 527a_200000753449_100103153847 [0,1,0,0,0,0|1,0,1]=3 2443 B9R0.55 CC(=O)NCCNC(=O)C 240690a_100000209853_100015343762 [0,1,0,0,0,0|3,0,0]=4 2444 B9R0.55 CC(=O)NCCNC(=O)C 527a_100000209853_100103153847 [0,1,0,0,0,0|3,0,0]=4 2445 B9R0.55 CC(=O)NCCNC(C)C 2230a_100000209853_100000210206 [0,1,0,0,0,0|3,0,0]=4 2446 B9R0.55 CC(=O)NCCNC(C)C 2230a_100138425928_100000189650 [0,1,0,0,0,0|3,0,0]=4 2447 B9R0.55 CC(=O)NCCOC(=O)C 11a_100000724843_100015343762 [0,1,0,0,0,0|2,0,0]=3 2448 B9R0.55 CC(=O)NCCOC(=O)C 240690a_100000724843_100015343762 [0,1,0,0,0,0|2,0,0]=3 2449 B9R0.55 CC(=O)NCCOC(=O)C 527a_100000724843_100103153847 [0,1,0,0,0,0|2,0,0]=3 2450 B9R0.55 CC(=O)NCCOC(C)C 11a_100000701111_100015343762 [0,1,0,0,0,0|3,0,0]=4 2451 B9R0.55 CC(=O)NCCOC(C)C 1626a_100000701111_100015343762 [0,1,0,0,0,0|3,0,0]=4 2452 B9R0.55 CC(=O)NCCOC(C)C 240690a_100000701111_100015343762 [0,1,0,0,0,0|3,0,0]=4 2453 B9R0.55 CC(=O)NCCOC(C)C 34a_100000158858_100000210206 [0,1,0,0,0,0|3,0,0]=4 2454 B9R0.55 CC(=O)NCCOC(C)C 527a_100000701111_100103153847 [0,1,0,0,0,0|3,0,0]=4 2455 B9R0.55 CC(=O)NCCSC(=O)C 11a_100020647217_100015343762 [0,1,0,0,0,0|2,1,0]=4 2456 B9R0.55 CC(=O)NCCSC(=O)C 240690a_100020647217_100015343762 [0,1,0,0,0,0|2,1,0]=4 2457 B9R0.55 CC(=O)NCCSC(=O)C 527a_100020647217_100103153847 [0,1,0,0,0,0|2,1,0]=4 2458 B9R0.55 CC(=O)NCCSC(C)C 11a_100000731138_100015343762 [0,1,0,0,0,0|3,0,0]=4 2459 B9R0.55 CC(=O)NCCSC(C)C 1626a_100000731138_100015343762 [0,1,0,0,0,0|3,0,0]=4 2460 B9R0.55 CC(=O)NCCSC(C)C 240690a_100000731138_100015343762 [0,1,0,0,0,0|3,0,0]=4 2461 B9R0.55 CC(=O)NCCSC(C)C 527a_100000731138_100103153847 [0,1,0,0,0,0|3,0,0]=4 2462 B9R0.55 CC(=O)NCCSC(C)C 62a_100000189650_100000210206 [0,1,0,0,0,0|3,0,0]=4 2463 B9R0.55 CC(=O)NCCSC(C)C 62a_100000210206_100000189650 [0,1,0,0,0,0|3,0,0]=4 2464 B9R0.55 CC(=O)NNCCN(C)C 22a_100000738145_100000070787 [0,1,0,0,0,0|3,0,0]=4 2465 B9R0.55 CC(=O)OCCCN(C)C 269982a_100102631434_100000042594 [0,1,0,0,0,0|1,0,0]=2 2466 B9R0.55 CC(=O)OCCNC(C)C 34a_100138425928_100009814007 [0,1,0,0,0,0|2,0,0]=3 2467 B9R0.55 CC(=O)OCCOC(C)C 34a_100000212225_100009814007 [0,1,0,0,0,0|2,0,0]=3 2468 B9R0.55 CC(=O)OCCSC(C)C 62a_100000210206_100009814007 [0,1,0,0,0,0|2,0,0]=3 2469 B9R0.55 CC(=O)OCCSC(C)C 62a_100009814007_100000210206 [0,1,0,0,0,0|2,0,0]=3 2470 B9R0.55 CC(=O)OCNCC(=O)O 269956a_100016091260_100000076356 [0,1,0,0,0,0|3,0,0]=4 2471 B9R0.55 CC(=O)OCNCC(C)C 34a_100000210953_100009813279 [0,1,0,0,0,0|2,0,0]=3 2472 B9R0.55 CC(=O)OCNCC(C)O 34a_100000210904_100009813279 [0,1,0,0,0,0|2,0,0]=3 2473 B9R0.55 CC(=O)OCNCC(F)F 34a_100000765723_100009813279 [0,1,0,0,0,0|3,0,0]=4 2474 B9R0.55 CC(=O)OCOCC(C)Br 34a_100012180447_100009813279 [0,1,0,0,0,0|2,0,0]=3 2475 B9R0.55 CC(=O)OCOCC(C)C 34a_100000210257_100009813279 [0,1,0,0,0,0|2,0,0]=3 2476 B9R0.55 CC(=O)OCOCC(C)F 34a_100015925927_100009813279 [0,1,0,0,0,0|2,0,0]=3 2477 B9R0.55 CC(=O)OCOCC(F)F 34a_100000743014_100009813279 [0,1,0,0,0,0|3,0,0]=4 2478 B9R0.55 CC(=O)OCOC[C@@H](C)Cl 34a_100016084084_100009813279 [0,1,0,0,0,0|2,0,0]=3 2479 B9R0.55 CC(=O)OCOC[C@@H](C)N 34a_100000737577_100009813279 [0,1,0,0,0,0|2,0,0]=3 2480 B9R0.55 CC(=O)OCSCC(=O)N 62a_100000076356_100000747473 [0,1,0,0,0,0|3,0,0]=4 2481 B9R0.55 CC(=O)OCSCC(=O)N 62a_100000747473_100000076356 [0,1,0,0,0,0|3,0,0]=4 2482 B9R0.55 CC(=O)OCSCC(=O)[O-] 62a_100000076356_100020667443 [0,1,0,0,0,0|3,0,0]=4 2483 B9R0.55 CC(=O)OCSCC(=O)[O-] 62a_100020667443_100000076356 [0,1,0,0,0,0|3,0,0]=4 2484 B9R0.55 CC(=O)OCSCC(C)C 62a_100000076356_100000210760 [0,1,0,0,0,0|2,0,0]=3 2485 B9R0.55 CC(=O)OCSCC(C)C 62a_100000210624_100000076356 [0,1,0,0,0,0|2,0,0]=3 2486 B9R0.55 CC(=O)OCSCC(C)O 62a_100000076356_100011218427 [0,1,0,0,0,0|2,0,0]=3 2487 B9R0.55 CC(=O)OCSCC(C)O 62a_100011218427_100000076356 [0,1,0,0,0,0|2,0,0]=3 2488 B9R0.55 CC(=O)OCSCC(F)F 62a_100000076356_100011934356 [0,1,0,0,0,0|3,0,0]=4 2489 B9R0.55 CC(=O)OCSCC(F)F 62a_100011934356_100000076356 [0,1,0,0,0,0|3,0,0]=4 2490 B9R0.55 CC(=O)OCSC[C@@H](C)O 62a_100000076356_100009817552 [0,1,0,0,0,0|2,0,0]=3 2491 B9R0.55 CC(=O)OCSC[C@@H](C)O 62a_100009817552_100000076356 [0,1,0,0,0,0|2,0,0]=3 2492 B9R0.55 CC(=O)OCSC[N+](=O)[O-] 62a_100000076356_100000761209 [0,1,0,0,0,0|3,0,0]=4 2493 B9R0.55 CC(=O)SCCCN(C)C 2230a_100102631434_100000038929 [0,1,0,0,0,0|1,1,0]=3 2494 B9R0.55 CC(=O)SCCCN(C)C 269982a_100102631434_100000038929 [0,1,0,0,0,0|1,1,0]=3 2495 B9R0.55 CC(=S)OCCCN(C)C 2230a_100102631434_200135323944 [0,1,0,0,0,0|1,1,0]=3 2496 B9R0.55 CC(=S)OCCCN(C)C 269982a_100102631434_200135323944 [0,1,0,0,0,0|1,1,0]=3 2497 B9R0.55 CC(C)CCCCC(=O)[13CH3] 1458a_100011933920_200025704644 [0,1,0,0,0,0|2,0,0]=3 2498 B9R0.55 CC(C)CCCOC(C)C 34a_100000210774_100000210206 [0,1,0,0,0,0|2,0,1]=4 2499 B9R0.55 CC(C)CCCOC(C)C 34a_100000212225_100011214892 [0,1,0,0,0,0|2,0,1]=4 2500 B9R0.55 CC(C)CCCOC(C)C 7a_100000210774_100000210206 [0,1,0,0,0,0|2,0,1]=4 2501 B9R0.55 CC(C)NCCOC(=O)N 34a_100138425928_200011214921 [0,1,0,0,0,0|3,0,0]=4 2502 B9R0.55 CC(C)OCCOC(=O)N 34a_100000212225_200011214921 [0,1,0,0,0,0|3,0,0]=4 2503 B9R0.55 CC(C)OCCOC(=O)N 7a_100000766696_100000210206 [0,1,0,0,0,0|3,0,0]=4 2504 B9R0.55 CC(C)SCCOC(=O)N 62a_100000210206_200011214921 [0,1,0,0,0,0|3,0,0]=4 2505 B9R0.55 CC(C)SCCOC(=O)N 62a_200011214921_100000210206 [0,1,0,0,0,0|3,0,0]=4 2506 B9R0.55 CC(O)CCCOC(C)C 34a_100000212225_200000718107 [0,1,0,0,0,0|2,0,1]=4 2507 B9R1.2 CC1=CC(CCC1)O[13CH3] 34a_100011218613_200025704644 [0,0,0,1,0,0|2,1,0]=4 2508 B9R1.2 CC1CC(CCO1)O[13CH3] 34a_100011986385_200025704644 [0,0,0,1,0,0|1,1,1]=4 2509 B9R1.2 CC1CC(CCO1)O[13CH3] 7a_100011986385_200025704644 [0,0,0,1,0,0|1,1,1]=4 2510 B9R1.2 CCN1CCNC(=O)C1 2230a_100000184651_100000210202 [0,0,0,1,0,0|3,0,0]=4 2511 B9R1.2 CCN1CCOC(=O)C1 2230a_100000131268_100000210202 [0,0,0,1,0,0|2,0,0]=3 2512 B9R1.2 CNC1CCNC(=O)C1 2230a_100016994916_200000210301 [0,0,0,1,0,0|2,0,0]=3 2513 B9R1.2 CNC1CCNC(=O)C1 34a_100016994916_200000210301 [0,0,0,1,0,0|2,0,0]=3 2514 B9R1.2 CNC1CCOC(C1)C 270004a_106832991635_100000755752 [0,0,0,1,0,0|2,0,1]=4 2515 B9R1.2 COC1C=C(CCC1)C 34a_100011218613_200000210301 [0,0,0,1,0,0|2,1,0]=4 2516 B9R1.2 COC1CCCC(=O)C1 34a_100012613340_200000210301 [0,0,0,1,0,0|1,1,0]=3 2517 B9R1.2 COC1CCOC(C1)C 34a_100011986385_200000210301 [0,0,0,1,0,0|1,1,1]=4 2518 B9R1.2 COC1CCOC(C1)C 7a_100011986385_200000210301 [0,0,0,1,0,0|1,1,1]=4 2519 B9R1.2 CO[C@@H]1CCNC(=O)C1 34a_100015189427_200000210301 [0,0,0,1,0,0|1,1,0]=3 2520 B9R1.2 [13CH3]NC1CCNC(=O)C1 2230a_100016994916_200025704644 [0,0,0,1,0,0|2,0,0]=3 2521 B9R1.2 [13CH3]NC1CCNC(=O)C1 34a_100016994916_200025704644 [0,0,0,1,0,0|2,0,0]=3 2522 B9R1.2 [13CH3]OC1CCCC(=O)C1 34a_100012613340_200025704644 [0,0,0,1,0,0|1,1,0]=3 2523 B9R1.2 [13CH3]O[C@@H]1CCNC(=O)C1 34a_100015189427_200025704644 [0,0,0,1,0,0|1,1,0]=3 2524 B9R1.6 CC(=O)C1=CCCCC1 1458a_100000765259_200000210301 [0,0,0,1,0,0|2,0,1]=4 2525 B9R1.6 CC(=O)C1=COCCC1 1458a_100000749935_200000210301 [0,0,0,1,0,0|1,1,1]=4 2526 B9R1.6 CC(=O)C1C=CCCC1 1458a_100000070787_100000751183 [0,0,0,1,0,0|2,0,1]=4 2527 B9R1.6 CC(=O)C1CCCCC1 1458a_100000070787_100000210327 [0,0,0,1,0,0|2,0,0]=3 2528 B9R1.6 CC(=O)C1CCCCC1 1458a_100000210647_200000210301 [0,0,0,1,0,0|2,0,0]=3 2529 B9R1.6 CC(=O)C1CCCCO1 1458a_100000748299_200000210301 [0,0,0,1,0,0|3,0,0]=4 2530 B9R1.6 CC(=O)C1CCCOC1 1458a_100000070787_100000693364 [0,0,0,1,0,0|1,1,0]=3 2531 B9R1.6 CC(=O)C1CCCOC1 1458a_100000741522_200000210301 [0,0,0,1,0,0|1,1,0]=3 2532 B9R1.6 CC(=O)C1CCOCC1 1458a_100000070787_100011324220 [0,0,0,1,0,0|3,0,0]=4 2533 B9R1.6 CC(=O)C1CCOCC1 1458a_100000195482_200000210301 [0,0,0,1,0,0|3,0,0]=4 2534 B9R1.6 CC(=O)C1CCSCC1 1458a_100000755232_200000210301 [0,0,0,1,0,0|3,0,0]=4 2535 B9R1.6 CC(=O)C1COCCO1 1458a_100000045528_200000210301 [0,0,0,1,0,0|2,1,0]=4 2536 B9R1.6 CC(=O)N1CC=CCC1 11a_100000698166_100015343762 [0,0,0,1,0,0|2,0,1]=4 2537 B9R1.6 CC(=O)N1CC=CCC1 1626a_100000698166_100015343762 [0,0,0,1,0,0|2,0,1]=4 2538 B9R1.6 CC(=O)N1CC=CCC1 240690a_100000698166_100015343762 [0,0,0,1,0,0|2,0,1]=4 2539 B9R1.6 CC(=O)N1CC=CCC1 527a_100000698166_100103153847 [0,0,0,1,0,0|2,0,1]=4 2540 B9R1.6 CC(=O)N1CCCOC1 11a_100000131196_100015343762 [0,0,0,1,0,0|1,1,0]=3 2541 B9R1.6 CC(=O)N1CCCOC1 240690a_100000131196_100015343762 [0,0,0,1,0,0|1,1,0]=3 2542 B9R1.6 CC(=O)N1CCOCC1 11a_100015191051_100015343762 [0,0,0,1,0,0|3,0,0]=4 2543 B9R1.6 CC(=O)N1CCOCC1 1626a_100015191051_100015343762 [0,0,0,1,0,0|3,0,0]=4 2544 B9R1.6 CC(=O)N1CCOCC1 240690a_100015191051_100015343762 [0,0,0,1,0,0|3,0,0]=4 2545 B9R1.6 CC(=O)N1CCOCC1 527a_100015191051_100103153847 [0,0,0,1,0,0|3,0,0]=4 2546 B9R1.6 CC(=O)N1CCSCC1 11a_100000737611_100015343762 [0,0,0,1,0,0|3,0,0]=4 2547 B9R1.6 CC(=O)N1CCSCC1 240690a_100000737611_100015343762 [0,0,0,1,0,0|3,0,0]=4 2548 B9R1.6 CC(=O)N1CCSCC1 527a_100000737611_100103153847 [0,0,0,1,0,0|3,0,0]=4 2549 B9R1.6 CC(=O)[C@H]1CC=CCC1 1458a_100009820709_200000210301 [0,0,0,1,0,0|2,0,1]=4 2550 B9R1.6 CN(C)C1CCCSC1 270004a_100102631434_100000057913 [0,0,0,1,0,0|3,0,0]=4 2551 B9R1.6 [13CH3]C(=O)C1=CCCCC1 1458a_100000765259_200025704644 [0,0,0,1,0,0|2,0,1]=4 2552 B9R1.6 [13CH3]C(=O)C1=COCCC1 1458a_100000749935_200025704644 [0,0,0,1,0,0|1,1,1]=4 2553 B9R1.6 [13CH3]C(=O)C1CCCCC1 1458a_100000210647_200025704644 [0,0,0,1,0,0|2,0,0]=3 2554 B9R1.6 [13CH3]C(=O)C1CCCCO1 1458a_100000748299_200025704644 [0,0,0,1,0,0|3,0,0]=4 2555 B9R1.6 [13CH3]C(=O)C1CCCOC1 1458a_100000741522_200025704644 [0,0,0,1,0,0|1,1,0]=3 2556 B9R1.6 [13CH3]C(=O)C1CCOCC1 1458a_100000195482_200025704644 [0,0,0,1,0,0|3,0,0]=4 2557 B9R1.6 [13CH3]C(=O)C1CCSCC1 1458a_100000755232_200025704644 [0,0,0,1,0,0|3,0,0]=4 2558 B9R1.6 [13CH3]C(=O)C1COCCO1 1458a_100000045528_200025704644 [0,0,0,1,0,0|2,1,0]=4 2559 B9R1.6 [13CH3]C(=O)[C@H]1CC=CCC1 1458a_100009820709_200025704644 [0,0,0,1,0,0|2,0,1]=4 2560 B9R1.7 CCCN1CNC(=O)C1 2230a_200000708111_100000210303 [0,0,0,1,0,0|3,0,0]=4 2561 B9R1.7 CCNC1CNC(=O)C1 2230a_100000697751_100000210202 [0,0,0,1,0,0|3,0,0]=4 2562 B9R1.7 CCOC1CCC(=O)C1 34a_100012614533_100000210202 [0,0,0,1,0,0|3,0,0]=4 2563 B9R1.7 CCOC1CNC(=O)C1 34a_100000690082_100000210202 [0,0,0,1,0,0|3,0,0]=4 2564 B9R1.7 CCOC1COC(=O)O1 34a_100121572206_100000032252 [0,0,0,1,0,0|3,0,0]=4 2565 B9R1.7 CCSC1COC(=O)O1 62a_100000210202_100000032252 [0,0,0,1,0,0|3,0,0]=4 2566 B9R1.7 CN1CCC(C1)CS[13CH3] 62a_200000690779_200025704644 [0,0,0,1,0,0|3,0,0]=4 2567 B9R1.7 CN1CCC(C1)CS[13CH3] 62a_200025704644_200000690779 [0,0,0,1,0,0|3,0,0]=4 2568 B9R1.7 CNCC1=CC(=O)OC1 34a_100102657272_100000716558 [0,0,0,1,0,0|1,0,2]=4 2569 B9R1.7 CNCC1CNC(=O)C1 2230a_100016993742_200000210301 [0,0,0,1,0,0|2,0,0]=3 2570 B9R1.7 CNCC1CNC(=O)C1 34a_100016993742_200000210301 [0,0,0,1,0,0|2,0,0]=3 2571 B9R1.7 CNCC1CNC(=O)O1 2230a_106832991635_100000181169 [0,0,0,1,0,0|3,0,0]=4 2572 B9R1.7 CNCC1CNC(=O)O1 34a_100102657272_100000181169 [0,0,0,1,0,0|3,0,0]=4 2573 B9R1.7 CNCC1CNC(=O)O1 7a_106832991635_100000181169 [0,0,0,1,0,0|3,0,0]=4 2574 B9R1.7 CNCC1COC(=O)O1 34a_100102657272_100000073702 [0,0,0,1,0,0|2,0,0]=3 2575 B9R1.7 CNC[C@@H]1CCC(=O)N1 2230a_106832991635_100015189358 [0,0,0,1,0,0|3,0,0]=4 2576 B9R1.7 CNC[C@@H]1CCC(=O)N1 7a_106832991635_100015189358 [0,0,0,1,0,0|3,0,0]=4 2577 B9R1.7 CNC[C@H]1CCC(=O)N1 2230a_100015423886_200000210301 [0,0,0,1,0,0|3,0,0]=4 2578 B9R1.7 CNC[C@H]1CCC(=O)N1 34a_100015423886_200000210301 [0,0,0,1,0,0|3,0,0]=4 2579 B9R1.7 CNC[C@H]1COC(=O)N1 2230a_106832991635_100015307671 [0,0,0,1,0,0|2,0,0]=3 2580 B9R1.7 CNC[C@H]1COC(=O)N1 34a_100102657272_100015307671 [0,0,0,1,0,0|2,0,0]=3 2581 B9R1.7 CNC[C@H]1COC(=O)N1 7a_106832991635_100015307671 [0,0,0,1,0,0|2,0,0]=3 2582 B9R1.7 COCC1=CC(=O)OC1 34a_100138415774_100000716558 [0,0,0,1,0,0|0,1,2]=4 2583 B9R1.7 COCC1CCC(=O)N1 34a_100000737831_200000210301 [0,0,0,1,0,0|2,1,0]=4 2584 B9R1.7 COCC1CNC(=O)C1 34a_100016041077_200000210301 [0,0,0,1,0,0|1,1,0]=3 2585 B9R1.7 COCC1CNC(=O)O1 34a_100011315639_200000210301 [0,0,0,1,0,0|2,1,0]=4 2586 B9R1.7 COCC1CNC(=O)O1 34a_100138415774_100000181169 [0,0,0,1,0,0|2,1,0]=4 2587 B9R1.7 COCC1COC(=O)O1 34a_100138415774_100000073702 [0,0,0,1,0,0|1,1,0]=3 2588 B9R1.7 COCN1CNC(=O)C1 2230a_200000708111_100000766300 [0,0,0,1,0,0|2,1,0]=4 2589 B9R1.7 COC[C@H]1COC(=O)N1 34a_100138415774_100015307671 [0,0,0,1,0,0|1,1,0]=3 2590 B9R1.7 CSCC1=CC(=O)OC1 62a_100000716558_200000210301 [0,0,0,1,0,0|0,0,2]=3 2591 B9R1.7 CSCC1=CC(=O)OC1 62a_200000210301_100000716558 [0,0,0,1,0,0|0,0,2]=3 2592 B9R1.7 CSCC1CCN(C1)C 62a_200000210301_200000690779 [0,0,0,1,0,0|3,0,0]=4 2593 B9R1.7 CSCC1CCN(C1)C 62a_200000690779_200000210301 [0,0,0,1,0,0|3,0,0]=4 2594 B9R1.7 CSCC1CNC(=O)O1 62a_100000181169_200000210301 [0,0,0,1,0,0|2,0,0]=3 2595 B9R1.7 CSCC1CNC(=O)O1 62a_200000210301_100000181169 [0,0,0,1,0,0|2,0,0]=3 2596 B9R1.7 CSCC1COC(=O)O1 62a_100000073702_200000210301 [0,0,0,1,0,0|1,0,0]=2 2597 B9R1.7 CSCC1COC(=O)O1 62a_200000210301_100000073702 [0,0,0,1,0,0|1,0,0]=2 2598 B9R1.7 CSCN1CNC(=O)C1 2230a_200000708111_100011218213 [0,0,0,1,0,0|2,0,0]=3 2599 B9R1.7 CSC[C@@H]1CCC(=O)N1 62a_100015189358_200000210301 [0,0,0,1,0,0|2,0,0]=3 2600 B9R1.7 CSC[C@@H]1CCC(=O)N1 62a_200000210301_100015189358 [0,0,0,1,0,0|2,0,0]=3 2601 B9R1.7 CSC[C@H]1COC(=O)N1 62a_100015307671_200000210301 [0,0,0,1,0,0|1,0,0]=2 2602 B9R1.7 CSC[C@H]1COC(=O)N1 62a_200000210301_100015307671 [0,0,0,1,0,0|1,0,0]=2 2603 B9R1.7 CSCc1cc(on1)C 62a_100000199038_200000210301 [0,0,0,1,0,0|2,0,1]=4 2604 B9R1.7 CSCc1cc(on1)C 62a_200000210301_100000199038 [0,0,0,1,0,0|2,0,1]=4 2605 B9R1.7 CSCc1noc(n1)C 270196a_100000749773_100000070787 [0,0,0,1,0,0|2,0,1]=4 2606 B9R1.7 CSCc1noc(n1)C 62a_100000231061_200000210301 [0,0,0,1,0,0|2,0,1]=4 2607 B9R1.7 CSCc1noc(n1)C 62a_200000210301_100000231061 [0,0,0,1,0,0|2,0,1]=4 2608 B9R1.7 Cc1cc(no1)CS[13CH3] 62a_100000199038_200025704644 [0,0,0,1,0,0|2,0,1]=4 2609 B9R1.7 Cc1cc(no1)CS[13CH3] 62a_200025704644_100000199038 [0,0,0,1,0,0|2,0,1]=4 2610 B9R1.7 Cc1nc(no1)CS[13CH3] 62a_100000231061_200025704644 [0,0,0,1,0,0|2,0,1]=4 2611 B9R1.7 Cc1nc(no1)CS[13CH3] 62a_200025704644_100000231061 [0,0,0,1,0,0|2,0,1]=4 2612 B9R1.7 [13CH3]NCC1CNC(=O)C1 2230a_100016993742_200025704644 [0,0,0,1,0,0|2,0,0]=3 2613 B9R1.7 [13CH3]NCC1CNC(=O)C1 34a_100016993742_200025704644 [0,0,0,1,0,0|2,0,0]=3 2614 B9R1.7 [13CH3]NC[C@H]1CCC(=O)N1 2230a_100015423886_200025704644 [0,0,0,1,0,0|3,0,0]=4 2615 B9R1.7 [13CH3]NC[C@H]1CCC(=O)N1 34a_100015423886_200025704644 [0,0,0,1,0,0|3,0,0]=4 2616 B9R1.7 [13CH3]OCC1CCC(=O)N1 34a_100000737831_200025704644 [0,0,0,1,0,0|2,1,0]=4 2617 B9R1.7 [13CH3]OCC1CNC(=O)C1 34a_100016041077_200025704644 [0,0,0,1,0,0|1,1,0]=3 2618 B9R1.7 [13CH3]OCC1CNC(=O)O1 34a_100011315639_200025704644 [0,0,0,1,0,0|2,1,0]=4 2619 B9R1.7 [13CH3]SCC1=CC(=O)OC1 62a_100000716558_200025704644 [0,0,0,1,0,0|0,0,2]=3 2620 B9R1.7 [13CH3]SCC1=CC(=O)OC1 62a_200025704644_100000716558 [0,0,0,1,0,0|0,0,2]=3 2621 B9R1.7 [13CH3]SCC1CNC(=O)O1 62a_100000181169_200025704644 [0,0,0,1,0,0|2,0,0]=3 2622 B9R1.7 [13CH3]SCC1CNC(=O)O1 62a_200025704644_100000181169 [0,0,0,1,0,0|2,0,0]=3 2623 B9R1.7 [13CH3]SCC1COC(=O)O1 62a_100000073702_200025704644 [0,0,0,1,0,0|1,0,0]=2 2624 B9R1.7 [13CH3]SCC1COC(=O)O1 62a_200025704644_100000073702 [0,0,0,1,0,0|1,0,0]=2 2625 B9R1.7 [13CH3]SC[C@@H]1CCC(=O)N1 62a_100015189358_200025704644 [0,0,0,1,0,0|2,0,0]=3 2626 B9R1.7 [13CH3]SC[C@@H]1CCC(=O)N1 62a_200025704644_100015189358 [0,0,0,1,0,0|2,0,0]=3 2627 B9R1.7 [13CH3]SC[C@H]1COC(=O)N1 62a_100015307671_200025704644 [0,0,0,1,0,0|1,0,0]=2 2628 B9R1.7 [13CH3]SC[C@H]1COC(=O)N1 62a_200025704644_100015307671 [0,0,0,1,0,0|1,0,0]=2 2629 B9R1.9 C=C1CC(C1)NCSC 2230a_100132301982_100011218213 [0,0,0,1,0,0|3,0,0]=4 2630 B9R1.9 CCCSC1CC(=O)C1 62a_100009894365_100000210303 [0,0,0,1,0,0|3,0,0]=4 2631 B9R1.9 CCNCC1CC(=O)C1 2230a_100015525214_100009874392 [0,0,0,1,0,0|3,0,0]=4 2632 B9R1.9 CCOCC1CC(=O)C1 34a_100000101936_100000210202 [0,0,0,1,0,0|3,0,0]=4 2633 B9R1.9 CCSCC1CC(=O)C1 62a_100000210202_100009874392 [0,0,0,1,0,0|3,0,0]=4 2634 B9R1.9 CCSCC1CC(=O)C1 62a_100009874392_100000210202 [0,0,0,1,0,0|3,0,0]=4 2635 B9R1.9 COCSC1CC(=O)C1 62a_100009894365_100000766300 [0,0,0,1,0,0|2,1,0]=4 2636 B9R1.9 CSCSC1CC(=O)C1 62a_100009894365_100011218213 [0,0,0,1,0,0|2,0,0]=3 2637 B9R1.13 C=C(C)CN1CCSC1 2230a_100011215254_100000748629 [0,0,0,1,0,0|3,0,0]=4 2638 B9R1.13 C=C(C)CN1CCSC1 269982a_100011215254_100000748629 [0,0,0,1,0,0|3,0,0]=4 2639 B9R1.13 CC(=O)C=C1CCCC1 1458a_100000743260_200000210301 [0,0,0,1,0,0|2,0,1]=4 2640 B9R1.13 CC(=O)CC1C=CCC1 1458a_100000212241_200000210301 [0,0,0,1,0,0|2,0,1]=4 2641 B9R1.13 CC(=O)CC1CC=CC1 1458a_200000137526_200000210301 [0,0,0,1,0,0|2,0,1]=4 2642 B9R1.13 CC(=O)CC1CCCC1 1458a_100000070787_100000740388 [0,0,0,1,0,0|2,0,0]=3 2643 B9R1.13 CC(=O)CC1CCCC1 1458a_100000210891_200000210301 [0,0,0,1,0,0|2,0,0]=3 2644 B9R1.13 CC(=O)CC1CCCO1 1458a_100000070787_100000203698 [0,0,0,1,0,0|3,0,0]=4 2645 B9R1.13 CC(=O)CC1CCOC1 1458a_100000070787_100000702531 [0,0,0,1,0,0|1,1,0]=3 2646 B9R1.13 CC(=O)CC1CCOC1 1458a_100011218419_200000210301 [0,0,0,1,0,0|1,1,0]=3 2647 B9R1.13 CC(=O)CN1CCCC1 1458a_100000740243_200000210301 [0,0,0,1,0,0|3,0,0]=4 2648 B9R1.13 CC(=O)NC1CC=CC1 11a_100015188752_100015343762 [0,0,0,1,0,0|2,0,1]=4 2649 B9R1.13 CC(=O)NC1CC=CC1 1626a_100015188752_100015343762 [0,0,0,1,0,0|2,0,1]=4 2650 B9R1.13 CC(=O)NC1CC=CC1 240690a_100015188752_100015343762 [0,0,0,1,0,0|2,0,1]=4 2651 B9R1.13 CC(=O)NC1CC=CC1 527a_100015188752_100103153847 [0,0,0,1,0,0|2,0,1]=4 2652 B9R1.13 CC(=O)NC1CCCC1 11a_100000211070_100015343762 [0,0,0,1,0,0|2,0,0]=3 2653 B9R1.13 CC(=O)NC1CCCC1 1626a_100000211070_100015343762 [0,0,0,1,0,0|2,0,0]=3 2654 B9R1.13 CC(=O)NC1CCCC1 240690a_100000211070_100015343762 [0,0,0,1,0,0|2,0,0]=3 2655 B9R1.13 CC(=O)NC1CCCC1 527a_100000211070_100103153847 [0,0,0,1,0,0|2,0,0]=3 2656 B9R1.13 CC(=O)N[C@@H]1CCOC1 240690a_200015188469_100015343762 [0,0,0,1,0,0|1,1,0]=3 2657 B9R1.13 CC(=O)N[C@@H]1CCOC1 527a_200015188469_100103153847 [0,0,0,1,0,0|1,1,0]=3 2658 B9R1.13 CC(=O)N[C@H]1CCOC1 11a_100015188467_100015343762 [0,0,0,1,0,0|1,1,0]=3 2659 B9R1.13 CC(=O)N[C@H]1CCOC1 1626a_100015188467_100015343762 [0,0,0,1,0,0|1,1,0]=3 2660 B9R1.13 CC(=O)N[C@H]1CCOC1 240690a_100015188467_100015343762 [0,0,0,1,0,0|1,1,0]=3 2661 B9R1.13 CC(=O)N[C@H]1CCOC1 527a_100015188467_100103153847 [0,0,0,1,0,0|1,1,0]=3 2662 B9R1.13 CC(C)OC1CCCC1 34a_100000210269_100000210206 [0,0,0,1,0,0|2,0,1]=4 2663 B9R1.13 CC(C)OC1CCCC1 34a_100000212225_100000179811 [0,0,0,1,0,0|2,0,1]=4 2664 B9R1.13 CC(C)OC1CCCC1 7a_100000210269_100000210206 [0,0,0,1,0,0|2,0,1]=4 2665 B9R1.13 CC(C)OC1CCOC1 34a_100000212225_100000690089 [0,0,0,1,0,0|1,1,1]=4 2666 B9R1.13 CC(C)OC1CCSC1 7a_100011232664_100000210206 [0,0,0,1,0,0|1,0,1]=3 2667 B9R1.13 CC(C)O[C@H]1CCOC1 34a_100000717292_100000210206 [0,0,0,1,0,0|1,1,1]=4 2668 B9R1.13 NC(=O)CN1CCSC1 2230a_100011215254_100000747473 [0,0,0,1,0,0|3,0,0]=4 2669 B9R1.13 NC(=O)CN1CCSC1 269982a_100011215254_100000187820 [0,0,0,1,0,0|3,0,0]=4 2670 B9R1.13 O=C([O-])CN1CCSC1 269982a_100011215254_100020667443 [0,0,0,1,0,0|3,0,0]=4 2671 B9R1.13 [13CH3]C(=O)C=C1CCCC1 1458a_100000743260_200025704644 [0,0,0,1,0,0|2,0,1]=4 2672 B9R1.13 [13CH3]C(=O)CC1C=CCC1 1458a_100000212241_200025704644 [0,0,0,1,0,0|2,0,1]=4 2673 B9R1.13 [13CH3]C(=O)CC1CC=CC1 1458a_200000137526_200025704644 [0,0,0,1,0,0|2,0,1]=4 2674 B9R1.13 [13CH3]C(=O)CC1CCCC1 1458a_100000210891_200025704644 [0,0,0,1,0,0|2,0,0]=3 2675 B9R1.13 [13CH3]C(=O)CC1CCOC1 1458a_100011218419_200025704644 [0,0,0,1,0,0|1,1,0]=3 2676 B9R1.13 [13CH3]C(=O)CN1CCCC1 1458a_100000740243_200025704644 [0,0,0,1,0,0|3,0,0]=4 2677 B9R1.41 CC(=O)C1CCCC1=O 1458a_100000070787_100000211823 [0,0,0,1,0,0|3,0,0]=4 2678 B9R1.41 CC(=O)C1CCCC1C 1458a_100000690547_200000210301 [0,0,0,1,0,0|2,0,0]=3 2679 B9R1.41 CC(=O)N1CCC[C@@H]1C 240690a_100020605311_100015343762 [0,0,0,1,0,0|2,0,0]=3 2680 B9R1.41 CC(=O)N1CCC[C@@H]1C 527a_100020605311_100103153847 [0,0,0,1,0,0|2,0,0]=3 2681 B9R1.41 CC(=O)N1CCC[C@H]1C 11a_100015189458_100015343762 [0,0,0,1,0,0|2,0,0]=3 2682 B9R1.41 CC(=O)N1CCC[C@H]1C 240690a_100015189458_100015343762 [0,0,0,1,0,0|2,0,0]=3 2683 B9R1.41 CC(=O)N1CCC[C@H]1C 527a_100015189458_100103153847 [0,0,0,1,0,0|2,0,0]=3 2684 B9R1.41 CC(=O)N1CCSC1C 11a_200011216479_100015343762 [0,0,0,1,0,0|3,0,0]=4 2685 B9R1.41 CC(=O)N1CCSC1C 1626a_200011216479_100015343762 [0,0,0,1,0,0|3,0,0]=4 2686 B9R1.41 CC(=O)N1CCSC1C 240690a_200011216479_100015343762 [0,0,0,1,0,0|3,0,0]=4 2687 B9R1.41 CC(=O)N1CCSC1C 527a_200011216479_100103153847 [0,0,0,1,0,0|3,0,0]=4 2688 B9R1.41 CC(=O)[C@@H]1CCCN1C 1458a_100009816429_200000210301 [0,0,0,1,0,0|2,0,0]=3 2689 B9R1.41 CC1CCCC1C(=O)[13CH3] 1458a_100000690547_200025704644 [0,0,0,1,0,0|2,0,0]=3 2690 B9R1.41 CN1CCC[C@H]1C(=O)N 2230a_100000003125_200000210301 [0,0,0,1,0,0|3,0,0]=4 2691 B9R1.41 CN1CCC[C@H]1C(=O)O 269956a_100000743916_200000210301 [0,0,0,1,0,0|3,0,0]=4 2692 B9R1.41 CN1CCC[C@H]1C(=O)[13CH3] 1458a_100009816429_200025704644 [0,0,0,1,0,0|2,0,0]=3 2693 B9R1.41 [13CH3]N1CCC[C@H]1C(=O)N 2230a_100000003125_200025704644 [0,0,0,1,0,0|3,0,0]=4 2694 B9R1.41 [13CH3]N1CCC[C@H]1C(=O)O 269956a_100000743916_200025704644 [0,0,0,1,0,0|3,0,0]=4 2695 B9R1.46 CC(C)OCC1CC1C 34a_100000744939_100000210206 [0,0,0,1,0,0|2,0,1]=4 2696 B9R1.46 CC(C)OCC1CC1C 7a_100000744939_100000210206 [0,0,0,1,0,0|2,0,1]=4 2697 B9R1.48 CN1CCCNC(=O)C1 2230a_100015190381_200000210301 [0,0,0,1,0,0|2,0,0]=3 2698 B9R1.48 [13CH3]N1CCCNC(=O)C1 2230a_100015190381_200025704644 [0,0,0,1,0,0|2,0,0]=3 2699 B9R1.83 CCCCCOC1CC1 34a_100000210253_100000211595 [0,0,0,1,0,0|2,0,1]=4 2700 B9R1.83 CNCCCOC1CC1 34a_100000213112_100000211595 [0,0,0,1,0,0|2,0,1]=4 2701 B9R1.83 COCCCOC1CC1 34a_100000740835_100000211595 [0,0,0,1,0,0|1,1,1]=4 2702 B9R1.83 CSCCCOC1CC1 34a_100000690336_100000211595 [0,0,0,1,0,0|1,0,1]=3 2703 B9R1.84 C=C(C)COC1CSC1 7a_100000072292_100000748629 [0,0,0,1,0,0|3,0,0]=4 2704 B9R1.84 CC(=O)CCN1CCC1 269982a_100000754969_100000053229 [0,0,0,1,0,0|3,0,0]=4 2705 B9R1.84 CC(=O)COC1CCC1 34a_100000211253_100000749161 [0,0,0,1,0,0|3,0,0]=4 2706 B9R1.84 CC(=O)COC1COC1 34a_100000211253_100009818527 [0,0,0,1,0,0|2,1,0]=4 2707 B9R1.84 CC(=O)NCC1CCC1 11a_100000738700_100015343762 [0,0,0,1,0,0|2,0,0]=3 2708 B9R1.84 CC(=O)NCC1CCC1 1626a_100000738700_100015343762 [0,0,0,1,0,0|2,0,0]=3 2709 B9R1.84 CC(=O)NCC1CCC1 240690a_100000738700_100015343762 [0,0,0,1,0,0|2,0,0]=3 2710 B9R1.84 CC(=O)NCC1CCC1 527a_100000738700_100103153847 [0,0,0,1,0,0|2,0,0]=3 2711 B9R1.84 CC(=O)NCC1COC1 11a_100015281925_100015343762 [0,0,0,1,0,0|1,1,0]=3 2712 B9R1.84 CC(=O)NCC1COC1 1626a_100015281925_100015343762 [0,0,0,1,0,0|1,1,0]=3 2713 B9R1.84 CC(=O)NCC1COC1 240690a_100015281925_100015343762 [0,0,0,1,0,0|1,1,0]=3 2714 B9R1.84 CC(=O)NCC1COC1 527a_100015281925_100103153847 [0,0,0,1,0,0|1,1,0]=3 2715 B9R1.84 CC(=O)NC[C@@H]1CCO1 11a_100020831831_100015343762 [0,0,0,1,0,0|3,0,0]=4 2716 B9R1.84 CC(=O)NC[C@@H]1CCO1 1626a_100020831831_100015343762 [0,0,0,1,0,0|3,0,0]=4 2717 B9R1.84 CC(=O)NC[C@@H]1CCO1 240690a_100020831831_100015343762 [0,0,0,1,0,0|3,0,0]=4 2718 B9R1.84 CC(=O)NC[C@@H]1CCO1 527a_100020831831_100103153847 [0,0,0,1,0,0|3,0,0]=4 2719 B9R1.84 CC(=O)NN=C1CSC1 4a_100000189765_100000073008 [0,0,0,1,0,0|2,0,1]=4 2720 B9R1.84 CC(=O)NNC1CCC1 22a_100000736358_100000070787 [0,0,0,1,0,0|3,0,0]=4 2721 B9R1.84 CC(=O)NNC1COC1 22a_100015188821_100000070787 [0,0,0,1,0,0|2,1,0]=4 2722 B9R1.84 CC(=O)OCN1CCC1 269982a_100000754969_100000076356 [0,0,0,1,0,0|2,0,0]=3 2723 B9R1.84 CC(C)OCC1CCC1 34a_100000212225_100000763275 [0,0,0,1,0,0|2,0,1]=4 2724 B9R1.84 CC(C)OCC1CCC1 34a_100000760304_100000210206 [0,0,0,1,0,0|2,0,1]=4 2725 B9R1.84 CC(C)OCC1CNC1 34a_100016987283_100000210206 [0,0,0,1,0,0|2,0,1]=4 2726 B9R1.84 CC(C)OCC1COC1 34a_100000060846_100000210206 [0,0,0,1,0,0|1,1,1]=4 2727 B9R1.84 CC(C)OCC1COC1 34a_100000212225_100010264016 [0,0,0,1,0,0|1,1,1]=4 2728 B9R1.84 NC(=O)COC1CSC1 7a_100000072292_100000187820 [0,0,0,1,0,0|3,0,0]=4 2729 B9R1.85 C=C(C)CSCC1CS1 62a_100000031435_100000211660 [0,0,0,1,0,0|3,0,0]=4 2730 B9R1.85 C=C(C)CSCC1CS1 62a_100000748629_100000031435 [0,0,0,1,0,0|3,0,0]=4 2731 B9R1.85 CC(=O)CCCC1CO1 1458a_100000070787_100000733510 [0,0,0,1,0,0|1,1,0]=3 2732 B9R1.85 CC(=O)CCOC1CC1 34a_100000759926_100000211595 [0,0,0,1,0,0|3,0,0]=4 2733 B9R1.85 CC(=O)CCSC1CC1 62a_100000053229_100000211595 [0,0,0,1,0,0|3,0,0]=4 2734 B9R1.85 CC(=O)COCC1CC1 34a_100000211253_100000742324 [0,0,0,1,0,0|3,0,0]=4 2735 B9R1.85 CC(=O)COCC1CO1 34a_100000211253_102125554688 [0,0,0,1,0,0|2,1,0]=4 2736 B9R1.85 CC(=O)CSCC1CC1 1458a_200011316215_200000210301 [0,0,0,1,0,0|3,0,0]=4 2737 B9R1.85 CC(=O)NCCC1CC1 1626a_100000764129_100015343762 [0,0,0,1,0,0|2,0,0]=3 2738 B9R1.85 CC(=O)NCCC1CC1 240690a_100000764129_100015343762 [0,0,0,1,0,0|2,0,0]=3 2739 B9R1.85 CC(=O)NCCC1CC1 527a_100000764129_100103153847 [0,0,0,1,0,0|2,0,0]=3 2740 B9R1.85 CC(=O)NNCC1CC1 22a_100000736359_100000070787 [0,0,0,1,0,0|3,0,0]=4 2741 B9R1.85 CC(=O)OCNC1CC1 34a_100000212008_100009813279 [0,0,0,1,0,0|2,0,0]=3 2742 B9R1.85 CC(=O)OCSC1CC1 62a_100000076356_100000211595 [0,0,0,1,0,0|2,0,0]=3 2743 B9R1.85 CC(C)OCCC1CC1 34a_100000212225_100000694398 [0,0,0,1,0,0|2,0,1]=4 2744 B9R1.85 CC(C)OCCC1CC1 34a_100000754188_100000210206 [0,0,0,1,0,0|2,0,1]=4 2745 B9R1.85 CC(C)OCCC1CC1 7a_100000754188_100000210206 [0,0,0,1,0,0|2,0,1]=4 2746 B9R1.85 CC(C)OCCC1CO1 34a_100000212225_100000732470 [0,0,0,1,0,0|1,1,1]=4 2747 B9R1.85 CC(C)OCC[C@@H]1CO1 34a_100009820653_100000210206 [0,0,0,1,0,0|1,1,1]=4 2748 B9R1.85 NC(=O)CSCC1CS1 62a_100000031435_100000747473 [0,0,0,1,0,0|3,0,0]=4 2749 B9R1.85 NC(=O)CSCC1CS1 62a_100000747473_100000031435 [0,0,0,1,0,0|3,0,0]=4 2750 B9R1.85 O=C(O)CNCC1CS1 269956a_100016091260_100000031435 [0,0,0,1,0,0|3,0,0]=4 2751 B9R1.85 O=C([O-])CSCC1CS1 62a_100000031435_100020667443 [0,0,0,1,0,0|3,0,0]=4 2752 B9R1.85 O=C([O-])CSCC1CS1 62a_100020667443_100000031435 [0,0,0,1,0,0|3,0,0]=4 2753 B9R1.85 [13CH3]C(=O)CSCC1CC1 1458a_200011316215_200025704644 [0,0,0,1,0,0|3,0,0]=4 2754 B6R0.6 C#CCCCOC 34a_100000215630_200000210301 [2,0,0,0,0,0|1,0,1]=4 2755 B6R0.6 C#CCCCOC 34a_100138415774_100000695029 [2,0,0,0,0,0|1,0,1]=4 2756 B6R0.6 C#CCCCOC 7a_100000215630_200000210301 [2,0,0,0,0,0|1,0,1]=4 2757 B6R0.6 C#CCCCO[13CH3] 34a_100000215630_200025704644 [2,0,0,0,0,0|1,0,1]=4 2758 B6R0.6 C#CCCCO[13CH3] 7a_100000215630_200025704644 [2,0,0,0,0,0|1,0,1]=4 2759 B6R0.6 C#CCCCSC 62a_100011215417_200000210301 [2,0,0,0,0,0|0,0,2]=4 2760 B6R0.6 C#CCCCSC 62a_200000210301_100011215417 [2,0,0,0,0,0|0,0,2]=4 2761 B6R0.6 C#CCCCS[13CH3] 62a_100011215417_200025704644 [2,0,0,0,0,0|0,0,2]=4 2762 B6R0.6 C#CCCCS[13CH3] 62a_200025704644_100011215417 [2,0,0,0,0,0|0,0,2]=4 2763 B6R0.6 C/C=C/CCOC 34a_100016278192_200000210301 [2,0,0,0,0,0|0,1,1]=4 2764 B6R0.6 C/C=C/CCO[13CH3] 34a_100016278192_200025704644 [2,0,0,0,0,0|0,1,1]=4 2765 B6R0.6 C/C=C/COCC 34a_100016270725_100000210202 [2,0,0,0,0,0|2,0,0]=4 2766 B6R0.6 C/C=C/COCC 34a_100121572206_100102629194 [2,0,0,0,0,0|2,0,0]=4 2767 B6R0.6 C/C=C/CSCC 62a_100000210202_100102629194 [2,0,0,0,0,0|2,0,0]=4 2768 B6R0.6 C/C=C/CSCC 62a_100102629194_100000210202 [2,0,0,0,0,0|2,0,0]=4 2769 B6R0.6 C=CCCCNC 2230a_100000700776_200000210301 [2,0,0,0,0,0|1,0,1]=4 2770 B6R0.6 C=CCCCNC 2230a_106832991635_100011713584 [2,0,0,0,0,0|1,0,1]=4 2771 B6R0.6 C=CCCCNC 34a_100000700776_200000210301 [2,0,0,0,0,0|1,0,1]=4 2772 B6R0.6 C=CCCCNC 34a_100102657272_100000757094 [2,0,0,0,0,0|1,0,1]=4 2773 B6R0.6 C=CCCCNC 7a_106832991635_100000757094 [2,0,0,0,0,0|1,0,1]=4 2774 B6R0.6 C=CCCCN[13CH3] 2230a_100000700776_200025704644 [2,0,0,0,0,0|1,0,1]=4 2775 B6R0.6 C=CCCCN[13CH3] 34a_100000700776_200025704644 [2,0,0,0,0,0|1,0,1]=4 2776 B6R0.6 C=CCCCOC 34a_100000758997_200000210301 [2,0,0,0,0,0|0,1,1]=4 2777 B6R0.6 C=CCCCOC 34a_100138415774_100000757094 [2,0,0,0,0,0|0,1,1]=4 2778 B6R0.6 C=CCCCOC 7a_100000758997_200000210301 [2,0,0,0,0,0|0,1,1]=4 2779 B6R0.6 C=CCCCO[13CH3] 34a_100000758997_200025704644 [2,0,0,0,0,0|0,1,1]=4 2780 B6R0.6 C=CCCCO[13CH3] 7a_100000758997_200025704644 [2,0,0,0,0,0|0,1,1]=4 2781 B6R0.6 C=CCCCSC 62a_100011713584_200000210301 [2,0,0,0,0,0|0,0,1]=3 2782 B6R0.6 C=CCCCSC 62a_200000210301_100000757094 [2,0,0,0,0,0|0,0,1]=3 2783 B6R0.6 C=CCCCS[13CH3] 62a_100011713584_200025704644 [2,0,0,0,0,0|0,0,1]=3 2784 B6R0.6 C=CCCCS[13CH3] 62a_200025704644_100000757094 [2,0,0,0,0,0|0,0,1]=3 2785 B6R0.6 C=CCNCSC 2230a_100020586998_100011218213 [2,0,0,0,0,0|1,0,1]=4 2786 B6R0.6 C=CCOCSC 34a_200000210373_100011218213 [2,0,0,0,0,0|1,0,1]=4 2787 B6R0.6 C=CCSCSC 62a_100000210623_100011218213 [2,0,0,0,0,0|1,0,1]=4 2788 B6R0.6 C=CCSCSC 62a_100011218213_100000210623 [2,0,0,0,0,0|1,0,1]=4 2789 B6R0.6 C=COCCNC 2230a_106832991635_100000039644 [2,0,0,0,0,0|1,0,1]=4 2790 B6R0.6 C=COCCNC 34a_100102657272_100000039644 [2,0,0,0,0,0|1,0,1]=4 2791 B6R0.6 C=COCCNC 7a_106832991635_100000039644 [2,0,0,0,0,0|1,0,1]=4 2792 B6R0.6 C=COCCOC 34a_100000033082_200000210301 [2,0,0,0,0,0|0,1,1]=4 2793 B6R0.6 C=COCCOC 34a_100138415774_100000039644 [2,0,0,0,0,0|0,1,1]=4 2794 B6R0.6 C=COCCO[13CH3] 34a_100000033082_200025704644 [2,0,0,0,0,0|0,1,1]=4 2795 B6R0.6 C=COCCSC 62a_100000039644_200000210301 [2,0,0,0,0,0|0,0,1]=3 2796 B6R0.6 C=COCCSC 62a_200000210301_100000039644 [2,0,0,0,0,0|0,0,1]=3 2797 B6R0.6 C=COCCS[13CH3] 62a_100000039644_200025704644 [2,0,0,0,0,0|0,0,1]=3 2798 B6R0.6 C=COCCS[13CH3] 62a_200025704644_100000039644 [2,0,0,0,0,0|0,0,1]=3 2799 B6R0.6 CC#CCCOC 34a_100000750427_200000210301 [2,0,0,0,0,0|1,0,1]=4 2800 B6R0.6 CC#CCCO[13CH3] 34a_100000750427_200025704644 [2,0,0,0,0,0|1,0,1]=4 2801 B6R0.6 CC=CCNCC 2230a_100015525214_100000070051 [2,0,0,0,0,0|2,0,0]=4 2802 B6R0.6 CC=CCOCC 34a_100121572206_100000070051 [2,0,0,0,0,0|2,0,0]=4 2803 B6R0.6 CC=CCSCC 62a_100000070051_100000210202 [2,0,0,0,0,0|2,0,0]=4 2804 B6R0.6 CC=CCSCC 62a_100000210202_100000070051 [2,0,0,0,0,0|2,0,0]=4 2805 B6R0.6 CC=NNCCC 4a_100000740057_200000210099 [2,0,0,0,0,0|2,0,0]=4 2806 B6R0.6 CCCCCNC 2230a_100000209983_200000210301 [2,0,0,0,0,0|1,0,1]=4 2807 B6R0.6 CCCCCNC 2230a_106832991635_100000210326 [2,0,0,0,0,0|1,0,1]=4 2808 B6R0.6 CCCCCNC 34a_100102657272_100000718602 [2,0,0,0,0,0|1,0,1]=4 2809 B6R0.6 CCCCCNC 7a_106832991635_100000210326 [2,0,0,0,0,0|1,0,1]=4 2810 B6R0.6 CCCCCN[13CH3] 2230a_100000209983_200025704644 [2,0,0,0,0,0|1,0,1]=4 2811 B6R0.6 CCCCCOC 34a_100000210253_200000210301 [2,0,0,0,0,0|1,0,0]=3 2812 B6R0.6 CCCCCOC 34a_100138415774_100000718602 [2,0,0,0,0,0|1,0,0]=3 2813 B6R0.6 CCCCCOC 7a_100000210253_200000210301 [2,0,0,0,0,0|1,0,0]=3 2814 B6R0.6 CCCCCO[13CH3] 34a_100000210253_200025704644 [2,0,0,0,0,0|1,0,0]=3 2815 B6R0.6 CCCCCO[13CH3] 7a_100000210253_200025704644 [2,0,0,0,0,0|1,0,0]=3 2816 B6R0.6 CCCCCSC 62a_100000210326_200000210301 [2,0,0,0,0,0|0,0,1]=3 2817 B6R0.6 CCCCCSC 62a_200000210301_100000210326 [2,0,0,0,0,0|0,0,1]=3 2818 B6R0.6 CCCCCS[13CH3] 62a_100000210326_200025704644 [2,0,0,0,0,0|0,0,1]=3 2819 B6R0.6 CCCCCS[13CH3] 62a_200025704644_100000210326 [2,0,0,0,0,0|0,0,1]=3 2820 B6R0.6 CCCCNCC 2230a_100000102301_100000210202 [2,0,0,0,0,0|1,0,1]=4 2821 B6R0.6 CCCCNCC 2230a_100015525214_100000210211 [2,0,0,0,0,0|1,0,1]=4 2822 B6R0.6 CCCCNCC 7a_106832991798_100000210202 [2,0,0,0,0,0|1,0,1]=4 2823 B6R0.6 CCCCOCC 34a_100000210227_100000210202 [2,0,0,0,0,0|0,0,1]=3 2824 B6R0.6 CCCCOCC 34a_100121572206_100000210210 [2,0,0,0,0,0|0,0,1]=3 2825 B6R0.6 CCCCOCC 7a_100000210227_100000210202 [2,0,0,0,0,0|0,0,1]=3 2826 B6R0.6 CCCCOCF 34a_100000210227_100015361967 [2,0,0,0,0,0|1,0,1]=4 2827 B6R0.6 CCCCOCF 7a_100000210227_100015361967 [2,0,0,0,0,0|1,0,1]=4 2828 B6R0.6 CCCCSCC 62a_100000210202_100000210210 [2,0,0,0,0,0|0,1,1]=4 2829 B6R0.6 CCCCSCC 62a_100000210211_100000210202 [2,0,0,0,0,0|0,1,1]=4 2830 B6R0.6 CCCOCC=O 34a_100000210258_200009817547 [2,0,0,0,0,0|2,0,0]=4 2831 B6R0.6 CCCOCSC 34a_100000210258_100011218213 [2,0,0,0,0,0|1,0,1]=4 2832 B6R0.6 CCCSCC=O 62a_100000210303_200015260668 [2,0,0,0,0,0|2,0,0]=4 2833 B6R0.6 CCCSCC=O 62a_200015260668_100000210303 [2,0,0,0,0,0|2,0,0]=4 2834 B6R0.6 CCCSCOC 62a_100000210303_100000766300 [2,0,0,0,0,0|2,0,0]=4 2835 B6R0.6 CCCSCOC 62a_100000766300_100000210303 [2,0,0,0,0,0|2,0,0]=4 2836 B6R0.6 CCCSCSC 62a_100000210303_100011218213 [2,0,0,0,0,0|1,0,1]=4 2837 B6R0.6 CCCSCSC 62a_100011218213_100000210303 [2,0,0,0,0,0|1,0,1]=4 2838 B6R0.6 CCNCCOC 2230a_100000209980_100000210202 [2,0,0,0,0,0|2,0,0]=4 2839 B6R0.6 CCNCCOC 2230a_100015525214_100011201679 [2,0,0,0,0,0|2,0,0]=4 2840 B6R0.6 CCNCCSC 2230a_100015525214_100000751147 [2,0,0,0,0,0|1,0,1]=4 2841 B6R0.6 CCNCCSC 2230a_100020590264_100000210202 [2,0,0,0,0,0|1,0,1]=4 2842 B6R0.6 CCOCCCBr 34a_100011217188_100000210202 [2,0,0,0,0,0|1,0,1]=4 2843 B6R0.6 CCOCCCCl 34a_100000230001_100000210202 [2,0,0,0,0,0|1,0,1]=4 2844 B6R0.6 CCOCCCF 34a_100000759539_100000210202 [2,0,0,0,0,0|1,0,1]=4 2845 B6R0.6 CCOCCCF 34a_100121572206_100011934791 [2,0,0,0,0,0|1,0,1]=4 2846 B6R0.6 CCOCCCN 34a_100000182051_100000210202 [2,0,0,0,0,0|1,0,1]=4 2847 B6R0.6 CCOCCCO 34a_100121572206_100000230001 [2,0,0,0,0,0|0,1,1]=4 2848 B6R0.6 CCOCCNC 2230a_102516460346_200000210301 [2,0,0,0,0,0|1,0,1]=4 2849 B6R0.6 CCOCCNC 2230a_106832991635_100011215890 [2,0,0,0,0,0|1,0,1]=4 2850 B6R0.6 CCOCCNC 34a_100102657272_100000210147 [2,0,0,0,0,0|1,0,1]=4 2851 B6R0.6 CCOCCNC 34a_102516460346_200000210301 [2,0,0,0,0,0|1,0,1]=4 2852 B6R0.6 CCOCCNC 7a_106832991635_100011215890 [2,0,0,0,0,0|1,0,1]=4 2853 B6R0.6 CCOCCN[13CH3] 2230a_102516460346_200025704644 [2,0,0,0,0,0|1,0,1]=4 2854 B6R0.6 CCOCCN[13CH3] 34a_102516460346_200025704644 [2,0,0,0,0,0|1,0,1]=4 2855 B6R0.6 CCOCCOC 34a_100000210136_200000210301 [2,0,0,0,0,0|0,1,1]=4 2856 B6R0.6 CCOCCOC 34a_100000210237_100000210202 [2,0,0,0,0,0|0,1,1]=4 2857 B6R0.6 CCOCCOC 34a_100121572206_100011201679 [2,0,0,0,0,0|0,1,1]=4 2858 B6R0.6 CCOCCOC 34a_100138415774_100000210147 [2,0,0,0,0,0|0,1,1]=4 2859 B6R0.6 CCOCCOC 7a_100000210136_200000210301 [2,0,0,0,0,0|0,1,1]=4 2860 B6R0.6 CCOCCO[13CH3] 34a_100000210136_200025704644 [2,0,0,0,0,0|0,1,1]=4 2861 B6R0.6 CCOCCO[13CH3] 7a_100000210136_200025704644 [2,0,0,0,0,0|0,1,1]=4 2862 B6R0.6 CCOCCSC 34a_100000230434_100000210202 [2,0,0,0,0,0|0,0,1]=3 2863 B6R0.6 CCOCCSC 34a_100121572206_100000212216 [2,0,0,0,0,0|0,0,1]=3 2864 B6R0.6 CCOCCSC 62a_100000210147_200000210301 [2,0,0,0,0,0|0,0,1]=3 2865 B6R0.6 CCOCCSC 62a_200000210301_100011215890 [2,0,0,0,0,0|0,0,1]=3 2866 B6R0.6 CCOCCSC 7a_100000230434_100000210202 [2,0,0,0,0,0|0,0,1]=3 2867 B6R0.6 CCOCCS[13CH3] 62a_100000210147_200025704644 [2,0,0,0,0,0|0,0,1]=3 2868 B6R0.6 CCOCCS[13CH3] 62a_200025704644_100011215890 [2,0,0,0,0,0|0,0,1]=3 2869 B6R0.6 CCOCSCC 62a_100000210202_100000739092 [2,0,0,0,0,0|1,0,1]=4 2870 B6R0.6 CCOCSCC 62a_100000739092_100000210202 [2,0,0,0,0,0|1,0,1]=4 2871 B6R0.6 CCSCCOC 34a_100000212035_200000210301 [2,0,0,0,0,0|2,0,0]=4 2872 B6R0.6 CCSCCOC 34a_100138415774_100000757381 [2,0,0,0,0,0|2,0,0]=4 2873 B6R0.6 CCSCCOC 62a_100000210202_100000233755 [2,0,0,0,0,0|2,0,0]=4 2874 B6R0.6 CCSCCOC 62a_100000233755_100000210202 [2,0,0,0,0,0|2,0,0]=4 2875 B6R0.6 CCSCCOC 7a_100000212035_200000210301 [2,0,0,0,0,0|2,0,0]=4 2876 B6R0.6 CCSCCO[13CH3] 34a_100000212035_200025704644 [2,0,0,0,0,0|2,0,0]=4 2877 B6R0.6 CCSCCO[13CH3] 7a_100000212035_200025704644 [2,0,0,0,0,0|2,0,0]=4 2878 B6R0.6 CCSCCSC 62a_100000210202_100000751147 [2,0,0,0,0,0|0,1,1]=4 2879 B6R0.6 CCSCCSC 62a_100000212216_100000210202 [2,0,0,0,0,0|0,1,1]=4 2880 B6R0.6 CCSCCSC 62a_100000757381_200000210301 [2,0,0,0,0,0|0,1,1]=4 2881 B6R0.6 CCSCCSC 62a_200000210301_100000757381 [2,0,0,0,0,0|0,1,1]=4 2882 B6R0.6 CCSCCS[13CH3] 62a_100000757381_200025704644 [2,0,0,0,0,0|0,1,1]=4 2883 B6R0.6 CCSCCS[13CH3] 62a_200025704644_100000757381 [2,0,0,0,0,0|0,1,1]=4 2884 B6R0.6 CNCCCC=O 2230a_106832991635_200011292268 [2,0,0,0,0,0|1,0,0]=3 2885 B6R0.6 CNCCCC=O 7a_106832991635_200011292268 [2,0,0,0,0,0|1,0,0]=3 2886 B6R0.6 CNCCCOC 2230a_106832991635_100000740836 [2,0,0,0,0,0|1,0,0]=3 2887 B6R0.6 CNCCCOC 34a_100000213112_200000210301 [2,0,0,0,0,0|1,0,0]=3 2888 B6R0.6 CNCCCOC 34a_100102657272_100000740836 [2,0,0,0,0,0|1,0,0]=3 2889 B6R0.6 CNCCCOC 34a_100150723488_200000210301 [2,0,0,0,0,0|1,0,0]=3 2890 B6R0.6 CNCCCOC 7a_106832991635_100000740836 [2,0,0,0,0,0|1,0,0]=3 2891 B6R0.6 CNCCCO[13CH3] 34a_100000213112_200025704644 [2,0,0,0,0,0|1,0,0]=3 2892 B6R0.6 CNCCCSC 2230a_100000749238_200000210301 [2,0,0,0,0,0|1,0,0]=3 2893 B6R0.6 COCCCCBr 34a_100011216708_200000210301 [2,0,0,0,0,0|2,0,0]=4 2894 B6R0.6 COCCCCCl 34a_100000210776_200000210301 [2,0,0,0,0,0|2,0,0]=4 2895 B6R0.6 COCCCCCl 7a_100000210776_200000210301 [2,0,0,0,0,0|2,0,0]=4 2896 B6R0.6 COCCCCF 34a_100011995726_200000210301 [2,0,0,0,0,0|2,0,0]=4 2897 B6R0.6 COCCCCF 34a_100138415774_100000729493 [2,0,0,0,0,0|2,0,0]=4 2898 B6R0.6 COCCCCF 7a_100011995726_200000210301 [2,0,0,0,0,0|2,0,0]=4 2899 B6R0.6 COCCCCI 34a_200012148704_200000210301 [2,0,0,0,0,0|2,0,0]=4 2900 B6R0.6 COCCCCN 34a_100000750430_200000210301 [2,0,0,0,0,0|2,0,0]=4 2901 B6R0.6 COCCCCO 34a_100138415774_100011216708 [2,0,0,0,0,0|2,0,0]=4 2902 B6R0.6 COCCCN[13CH3] 34a_100150723488_200025704644 [2,0,0,0,0,0|1,0,0]=3 2903 B6R0.6 COCCCOC 34a_100000740835_200000210301 [2,0,0,0,0,0|0,1,0]=3 2904 B6R0.6 COCCCOC 34a_100138415774_100000740836 [2,0,0,0,0,0|0,1,0]=3 2905 B6R0.6 COCCCO[13CH3] 34a_100000740835_200025704644 [2,0,0,0,0,0|0,1,0]=3 2906 B6R0.6 COCCCSC 34a_100000690336_200000210301 [2,0,0,0,0,0|0,0,0]=2 2907 B6R0.6 COCCCSC 62a_100000709357_200000210301 [2,0,0,0,0,0|0,0,0]=2 2908 B6R0.6 COCCCSC 62a_200000210301_100000709357 [2,0,0,0,0,0|0,0,0]=2 2909 B6R0.6 COCCCSC 7a_100000690336_200000210301 [2,0,0,0,0,0|0,0,0]=2 2910 B6R0.6 COCCCS[13CH3] 62a_100000709357_200025704644 [2,0,0,0,0,0|0,0,0]=2 2911 B6R0.6 COCCCS[13CH3] 62a_200025704644_100000709357 [2,0,0,0,0,0|0,0,0]=2 2912 B6R0.6 COCSCC=O 62a_100000766300_200015260668 [2,0,0,0,0,0|1,1,0]=4 2913 B6R0.6 COCSCC=O 62a_200015260668_100000766300 [2,0,0,0,0,0|1,1,0]=4 2914 B6R0.6 COCSCOC 62a_100000766300_100000766300 [2,0,0,0,0,0|1,1,0]=4 2915 B6R0.6 COCSCSC 62a_100000766300_100011218213 [2,0,0,0,0,0|1,0,0]=3 2916 B6R0.6 COCSCSC 62a_100011218213_100000766300 [2,0,0,0,0,0|1,0,0]=3 2917 B6R0.6 CSCCCC#N 62a_100000687738_200000210301 [2,0,0,0,0,0|1,0,1]=4 2918 B6R0.6 CSCCCC#N 62a_200000210301_100000687738 [2,0,0,0,0,0|1,0,1]=4 2919 B6R0.6 CSCCCC=O 62a_200000210301_200011292268 [2,0,0,0,0,0|0,0,0]=2 2920 B6R0.6 CSCCCC=O 62a_200011292268_200000210301 [2,0,0,0,0,0|0,0,0]=2 2921 B6R0.6 CSCCCCF 62a_100000729493_200000210301 [2,0,0,0,0,0|1,0,1]=4 2922 B6R0.6 CSCCCCF 62a_200000210301_100000729493 [2,0,0,0,0,0|1,0,1]=4 2923 B6R0.6 CSCCCCO 62a_100000210776_200000210301 [2,0,0,0,0,0|0,0,2]=4 2924 B6R0.6 CSCCCCO 62a_200000210301_100000210776 [2,0,0,0,0,0|0,0,2]=4 2925 B6R0.6 CSCCCN[13CH3] 2230a_100000749238_200025704644 [2,0,0,0,0,0|1,0,0]=3 2926 B6R0.6 CSCCCO[13CH3] 34a_100000690336_200025704644 [2,0,0,0,0,0|0,0,0]=2 2927 B6R0.6 CSCCCO[13CH3] 7a_100000690336_200025704644 [2,0,0,0,0,0|0,0,0]=2 2928 B6R0.6 CSCCOCF 34a_100000230434_100015361967 [2,0,0,0,0,0|1,0,1]=4 2929 B6R0.6 CSCCOCF 7a_100000230434_100015361967 [2,0,0,0,0,0|1,0,1]=4 2930 B6R0.6 CSCSCC=O 62a_100011218213_200015260668 [2,0,0,0,0,0|1,0,0]=3 2931 B6R0.6 CSCSCC=O 62a_200015260668_100011218213 [2,0,0,0,0,0|1,0,0]=3 2932 B6R0.6 CSCSCSC 62a_100011218213_100011218213 [2,0,0,0,0,0|1,1,0]=4 2933 B6R0.6 [13CH3]OCCCCBr 34a_100011216708_200025704644 [2,0,0,0,0,0|2,0,0]=4 2934 B6R0.6 [13CH3]OCCCCCl 34a_100000210776_200025704644 [2,0,0,0,0,0|2,0,0]=4 2935 B6R0.6 [13CH3]OCCCCCl 7a_100000210776_200025704644 [2,0,0,0,0,0|2,0,0]=4 2936 B6R0.6 [13CH3]OCCCCF 34a_100011995726_200025704644 [2,0,0,0,0,0|2,0,0]=4 2937 B6R0.6 [13CH3]OCCCCF 7a_100011995726_200025704644 [2,0,0,0,0,0|2,0,0]=4 2938 B6R0.6 [13CH3]OCCCCI 34a_200012148704_200025704644 [2,0,0,0,0,0|2,0,0]=4 2939 B6R0.6 [13CH3]OCCCCN 34a_100000750430_200025704644 [2,0,0,0,0,0|2,0,0]=4 2940 B6R0.6 [13CH3]SCCCC#N 62a_100000687738_200025704644 [2,0,0,0,0,0|1,0,1]=4 2941 B6R0.6 [13CH3]SCCCC#N 62a_200025704644_100000687738 [2,0,0,0,0,0|1,0,1]=4 2942 B6R0.6 [13CH3]SCCCC=O 62a_200011292268_200025704644 [2,0,0,0,0,0|0,0,0]=2 2943 B6R0.6 [13CH3]SCCCC=O 62a_200025704644_200011292268 [2,0,0,0,0,0|0,0,0]=2 2944 B6R0.6 [13CH3]SCCCCF 62a_100000729493_200025704644 [2,0,0,0,0,0|1,0,1]=4 2945 B6R0.6 [13CH3]SCCCCF 62a_200025704644_100000729493 [2,0,0,0,0,0|1,0,1]=4 2946 B6R0.6 [13CH3]SCCCCO 62a_100000210776_200025704644 [2,0,0,0,0,0|0,0,2]=4 2947 B6R0.6 [13CH3]SCCCCO 62a_200025704644_100000210776 [2,0,0,0,0,0|0,0,2]=4 2948 B6R0.4 C#CCCC(=O)C 1458a_100000070787_100000753159 [2,0,0,0,0,0|0,0,2]=4 2949 B6R0.4 C#CCCC(=O)C 1458a_100000692101_200000210301 [2,0,0,0,0,0|0,0,2]=4 2950 B6R0.4 C#CCCC(=O)[13CH3] 1458a_100000692101_200025704644 [2,0,0,0,0,0|0,0,2]=4 2951 B6R0.4 C/C=C/CC(=O)C 1458a_100000070787_100102629194 [2,0,0,0,0,0|0,0,2]=4 2952 B6R0.4 C=C(C)CCNC 2230a_106832991635_100000730704 [2,0,0,0,0,0|2,0,0]=4 2953 B6R0.4 C=C(C)CCNC 34a_100102657272_100000730704 [2,0,0,0,0,0|2,0,0]=4 2954 B6R0.4 C=C(C)CCNC 7a_106832991635_100000730704 [2,0,0,0,0,0|2,0,0]=4 2955 B6R0.4 C=C(C)CCOC 34a_100000764851_200000210301 [2,0,0,0,0,0|1,1,0]=4 2956 B6R0.4 C=C(C)CCOC 34a_100138415774_100000730704 [2,0,0,0,0,0|1,1,0]=4 2957 B6R0.4 C=C(C)CCO[13CH3] 34a_100000764851_200025704644 [2,0,0,0,0,0|1,1,0]=4 2958 B6R0.4 C=C(C)CCSC 62a_100000730704_200000210301 [2,0,0,0,0,0|1,0,0]=3 2959 B6R0.4 C=C(C)CCSC 62a_200000210301_100000730704 [2,0,0,0,0,0|1,0,0]=3 2960 B6R0.4 C=C(C)CCS[13CH3] 62a_100000730704_200025704644 [2,0,0,0,0,0|1,0,0]=3 2961 B6R0.4 C=C(C)CCS[13CH3] 62a_200025704644_100000730704 [2,0,0,0,0,0|1,0,0]=3 2962 B6R0.4 C=C(C)CNCC 2230a_100015525214_100000748629 [2,0,0,0,0,0|2,0,0]=4 2963 B6R0.4 C=C(C)COCC 34a_100000210245_100000210202 [2,0,0,0,0,0|2,0,0]=4 2964 B6R0.4 C=C(C)COCC 34a_100121572206_100000748629 [2,0,0,0,0,0|2,0,0]=4 2965 B6R0.4 C=C(C)CSCC 62a_100000210202_100000211660 [2,0,0,0,0,0|2,0,0]=4 2966 B6R0.4 C=C(C)CSCC 62a_100000748629_100000210202 [2,0,0,0,0,0|2,0,0]=4 2967 B6R0.4 C=CCCC(=O)C 1458a_100000070787_100000754431 [2,0,0,0,0,0|0,0,2]=4 2968 B6R0.4 C=CCCC(=O)C 1458a_100000749702_200000210301 [2,0,0,0,0,0|0,0,2]=4 2969 B6R0.4 C=CCCC(=O)[13CH3] 1458a_100000749702_200025704644 [2,0,0,0,0,0|0,0,2]=4 2970 B6R0.4 CC#CCC(=O)C 1458a_100000070787_100000748600 [2,0,0,0,0,0|0,0,2]=4 2971 B6R0.4 CC(=CCS[13CH3])C 62a_100000761012_200025704644 [2,0,0,0,0,0|1,0,1]=4 2972 B6R0.4 CC(=CCS[13CH3])C 62a_200025704644_100000761012 [2,0,0,0,0,0|1,0,1]=4 2973 B6R0.4 CC(=O)CCC#N 1458a_100000070787_100011215226 [2,0,0,0,0,0|1,0,1]=4 2974 B6R0.4 CC(=O)CCC#N 1458a_100011934036_200000210301 [2,0,0,0,0,0|1,0,1]=4 2975 B6R0.4 CC(=O)CCCF 1458a_100000070787_100011934791 [2,0,0,0,0,0|1,0,0]=3 2976 B6R0.4 CC(=O)CCCO 1458a_100000070787_100011215043 [2,0,0,0,0,0|0,1,0]=3 2977 B6R0.4 CC(=O)CCO[13CH3] 34a_100000759926_200025704644 [2,0,0,0,0,0|0,1,0]=3 2978 B6R0.4 CC(=O)CCO[13CH3] 7a_100000759926_200025704644 [2,0,0,0,0,0|0,1,0]=3 2979 B6R0.4 CC(=O)CCS[13CH3] 62a_100000053229_200025704644 [2,0,0,0,0,0|0,0,0]=2 2980 B6R0.4 CC(=O)CCS[13CH3] 62a_200025704644_100000053229 [2,0,0,0,0,0|0,0,0]=2 2981 B6R0.4 CC(=O)COCF 34a_100000211253_100015361967 [2,0,0,0,0,0|2,0,0]=4 2982 B6R0.4 CC(=O)NCCF 11a_100000724931_100015343762 [2,0,0,0,0,0|2,0,0]=4 2983 B6R0.4 CC(=O)NCCF 1626a_100000724931_100015343762 [2,0,0,0,0,0|2,0,0]=4 2984 B6R0.4 CC(=O)NCCF 240690a_100000724931_100015343762 [2,0,0,0,0,0|2,0,0]=4 2985 B6R0.4 CC(=O)NCCF 527a_100000724931_100103153847 [2,0,0,0,0,0|2,0,0]=4 2986 B6R0.4 CC(=O)NCCO 240690a_100000210304_100015343762 [2,0,0,0,0,0|1,1,0]=4 2987 B6R0.4 CC(=O)NCCO 527a_100000210304_100103153847 [2,0,0,0,0,0|1,1,0]=4 2988 B6R0.4 CC(=O)OCS[13CH3] 62a_100000076356_200025704644 [2,0,0,0,0,0|0,0,0]=2 2989 B6R0.4 CC(=O)OCS[13CH3] 62a_200025704644_100000076356 [2,0,0,0,0,0|0,0,0]=2 2990 B6R0.4 CC(C)CCS[13CH3] 62a_100000210312_200025704644 [2,0,0,0,0,0|1,0,1]=4 2991 B6R0.4 CC(C)CCS[13CH3] 62a_200025704644_100000210312 [2,0,0,0,0,0|1,0,1]=4 2992 B6R0.4 CC(C)OCS[13CH3] 62a_100000709892_200025704644 [2,0,0,0,0,0|1,0,1]=4 2993 B6R0.4 CC(C)OCS[13CH3] 62a_200025704644_100000709892 [2,0,0,0,0,0|1,0,1]=4 2994 B6R0.4 CC(O)CCS[13CH3] 62a_100012276601_200025704644 [2,0,0,0,0,0|0,0,2]=4 2995 B6R0.4 CC(O)CCS[13CH3] 62a_200025704644_100012276601 [2,0,0,0,0,0|0,0,2]=4 2996 B6R0.4 CC=CCC(=O)C 1458a_100000070787_100000070051 [2,0,0,0,0,0|0,0,2]=4 2997 B6R0.4 CC=CCC(=O)C 1458a_100121576822_200000210301 [2,0,0,0,0,0|0,0,2]=4 2998 B6R0.4 CC=CCC(=O)[13CH3] 1458a_100121576822_200025704644 [2,0,0,0,0,0|0,0,2]=4 2999 B6R0.4 CCC#CC(=O)C 1458a_100011827653_200000210301 [2,0,0,0,0,0|0,0,2]=4 3000 B6R0.4 CCC#CC(=O)[13CH3] 1458a_100011827653_200025704644 [2,0,0,0,0,0|0,0,2]=4 3001 B6R0.4 CCC=CC(=O)C 1458a_100000212282_200000210301 [2,0,0,0,0,0|0,0,2]=4 3002 B6R0.4 CCC=CC(=O)[13CH3] 1458a_100000212282_200025704644 [2,0,0,0,0,0|0,0,2]=4 3003 B6R0.4 CCCCC(=O)C 1458a_100000070787_100000210211 [2,0,0,0,0,0|0,0,0]=2 3004 B6R0.4 CCCCC(=O)C 1458a_100000210183_200000210301 [2,0,0,0,0,0|0,0,0]=2 3005 B6R0.4 CCCCC(=O)[13CH3] 1458a_100000210183_200025704644 [2,0,0,0,0,0|0,0,0]=2 3006 B6R0.4 CCCCN(C)C 2230a_100000207549_200000210301 [2,0,0,0,0,0|2,0,0]=4 3007 B6R0.4 CCCCN(C)C 2230a_100102631434_100000210211 [2,0,0,0,0,0|2,0,0]=4 3008 B6R0.4 CCCCN(C)C 269982a_100000207549_200000210301 [2,0,0,0,0,0|2,0,0]=4 3009 B6R0.4 CCCCN(C)C 269982a_100102631434_100000210211 [2,0,0,0,0,0|2,0,0]=4 3010 B6R0.4 CCCCN(C)[13CH3] 2230a_100000207549_200025704644 [2,0,0,0,0,0|2,0,0]=4 3011 B6R0.4 CCCCN(C)[13CH3] 269982a_100000207549_200025704644 [2,0,0,0,0,0|2,0,0]=4 3012 B6R0.4 CCCNC(=O)C 11a_100020643023_100015343762 [2,0,0,0,0,0|1,0,0]=3 3013 B6R0.4 CCCNC(=O)C 1626a_100020643023_100015343762 [2,0,0,0,0,0|1,0,0]=3 3014 B6R0.4 CCCNC(=O)C 240690a_100020643023_100015343762 [2,0,0,0,0,0|1,0,0]=3 3015 B6R0.4 CCCNC(=O)C 527a_100020643023_100103153847 [2,0,0,0,0,0|1,0,0]=3 3016 B6R0.4 CCCOC(C)C 34a_100000210258_100000210206 [2,0,0,0,0,0|1,0,1]=4 3017 B6R0.4 CCCOC(C)C 34a_100000212225_100000210303 [2,0,0,0,0,0|1,0,1]=4 3018 B6R0.4 CCNCC(=O)N 2230a_100000711301_100000210202 [2,0,0,0,0,0|2,0,0]=4 3019 B6R0.4 CCNCC(=O)N 2230a_100015525214_100000747473 [2,0,0,0,0,0|2,0,0]=4 3020 B6R0.4 CCNCC(=O)O 269956a_100016091260_100000210202 [2,0,0,0,0,0|2,0,0]=4 3021 B6R0.4 CCNNC(=O)C 22a_100000756455_100000070787 [2,0,0,0,0,0|2,0,0]=4 3022 B6R0.4 CCOCC(=O)C 1458a_100000211967_200000210301 [2,0,0,0,0,0|1,0,0]=3 3023 B6R0.4 CCOCC(=O)C 34a_100000211253_100000210202 [2,0,0,0,0,0|1,0,0]=3 3024 B6R0.4 CCOCC(=O)N 34a_100121572206_100000187820 [2,0,0,0,0,0|2,0,0]=4 3025 B6R0.4 CCOCC(=O)[13CH3] 1458a_100000211967_200025704644 [2,0,0,0,0,0|1,0,0]=3 3026 B6R0.4 CCOCC(=O)[O-] 34a_100121572206_100020667443 [2,0,0,0,0,0|2,0,0]=4 3027 B6R0.4 CCSCC(=O)C 1458a_100000230394_200000210301 [2,0,0,0,0,0|1,0,0]=3 3028 B6R0.4 CCSCC(=O)N 62a_100000210202_100000747473 [2,0,0,0,0,0|2,0,0]=4 3029 B6R0.4 CCSCC(=O)N 62a_100000747473_100000210202 [2,0,0,0,0,0|2,0,0]=4 3030 B6R0.4 CCSCC(=O)[13CH3] 1458a_100000230394_200025704644 [2,0,0,0,0,0|1,0,0]=3 3031 B6R0.4 CCSCC(=O)[O-] 62a_100000210202_100020667443 [2,0,0,0,0,0|2,0,0]=4 3032 B6R0.4 CCSCC(=O)[O-] 62a_100020667443_100000210202 [2,0,0,0,0,0|2,0,0]=4 3033 B6R0.4 CN(C)CCS[13CH3] 62a_200025704644_100000755713 [2,0,0,0,0,0|2,0,0]=4 3034 B6R0.4 CNCCC(=O)C 7a_106832991635_100000053229 [2,0,0,0,0,0|1,0,0]=3 3035 B6R0.4 CNCCC(=O)N 2230a_106832991635_100000744528 [2,0,0,0,0,0|2,0,0]=4 3036 B6R0.4 CNCCC(=O)N 34a_100102657272_100000731001 [2,0,0,0,0,0|2,0,0]=4 3037 B6R0.4 CNCCC(=O)N 7a_106832991635_100000744528 [2,0,0,0,0,0|2,0,0]=4 3038 B6R0.4 CNCOC(=O)C 34a_100102657272_100009813279 [2,0,0,0,0,0|1,0,0]=3 3039 B6R0.4 COCCC(=O)C 1458a_100000070787_100000233755 [2,0,0,0,0,0|0,1,0]=3 3040 B6R0.4 COCCC(=O)C 1458a_100000749529_200000210301 [2,0,0,0,0,0|0,1,0]=3 3041 B6R0.4 COCCC(=O)C 34a_100000759926_200000210301 [2,0,0,0,0,0|0,1,0]=3 3042 B6R0.4 COCCC(=O)C 7a_100000759926_200000210301 [2,0,0,0,0,0|0,1,0]=3 3043 B6R0.4 COCCC(=O)N 34a_100000757172_200000210301 [2,0,0,0,0,0|1,1,0]=4 3044 B6R0.4 COCCC(=O)N 34a_100138415774_100000731001 [2,0,0,0,0,0|1,1,0]=4 3045 B6R0.4 COCCC(=O)N 7a_100000757172_200000210301 [2,0,0,0,0,0|1,1,0]=4 3046 B6R0.4 COCCC(=O)[13CH3] 1458a_100000749529_200025704644 [2,0,0,0,0,0|0,1,0]=3 3047 B6R0.4 COCOC(=O)C 34a_100138415774_100009813279 [2,0,0,0,0,0|0,1,0]=3 3048 B6R0.4 CSCC=C(C)C 62a_100000761012_200000210301 [2,0,0,0,0,0|1,0,1]=4 3049 B6R0.4 CSCC=C(C)C 62a_200000210301_100000761012 [2,0,0,0,0,0|1,0,1]=4 3050 B6R0.4 CSCCC(=O)C 1458a_100000070787_100000751147 [2,0,0,0,0,0|0,0,0]=2 3051 B6R0.4 CSCCC(=O)C 1458a_100000174002_200000210301 [2,0,0,0,0,0|0,0,0]=2 3052 B6R0.4 CSCCC(=O)C 62a_100000053229_200000210301 [2,0,0,0,0,0|0,0,0]=2 3053 B6R0.4 CSCCC(=O)C 62a_200000210301_100000053229 [2,0,0,0,0,0|0,0,0]=2 3054 B6R0.4 CSCCC(=O)N 62a_100000744528_200000210301 [2,0,0,0,0,0|1,0,0]=3 3055 B6R0.4 CSCCC(=O)N 62a_200000210301_100000744528 [2,0,0,0,0,0|1,0,0]=3 3056 B6R0.4 CSCCC(=O)[13CH3] 1458a_100000174002_200025704644 [2,0,0,0,0,0|0,0,0]=2 3057 B6R0.4 CSCCC(C)C 62a_100000210312_200000210301 [2,0,0,0,0,0|1,0,1]=4 3058 B6R0.4 CSCCC(C)C 62a_200000210301_100000210312 [2,0,0,0,0,0|1,0,1]=4 3059 B6R0.4 CSCCC(C)O 62a_100012276601_200000210301 [2,0,0,0,0,0|0,0,2]=4 3060 B6R0.4 CSCCC(C)O 62a_200000210301_100012276601 [2,0,0,0,0,0|0,0,2]=4 3061 B6R0.4 CSCCN(C)C 2230a_100000686725_200000210301 [2,0,0,0,0,0|2,0,0]=4 3062 B6R0.4 CSCCN(C)C 2230a_100102631434_100000751147 [2,0,0,0,0,0|2,0,0]=4 3063 B6R0.4 CSCCN(C)C 269982a_100000686725_200000210301 [2,0,0,0,0,0|2,0,0]=4 3064 B6R0.4 CSCCN(C)C 269982a_100102631434_100000212216 [2,0,0,0,0,0|2,0,0]=4 3065 B6R0.4 CSCCN(C)C 62a_200000210301_100000755713 [2,0,0,0,0,0|2,0,0]=4 3066 B6R0.4 CSCCN(C)[13CH3] 2230a_100000686725_200025704644 [2,0,0,0,0,0|2,0,0]=4 3067 B6R0.4 CSCCN(C)[13CH3] 269982a_100000686725_200025704644 [2,0,0,0,0,0|2,0,0]=4 3068 B6R0.4 CSCOC(=O)C 62a_100000076356_200000210301 [2,0,0,0,0,0|0,0,0]=2 3069 B6R0.4 CSCOC(=O)C 62a_200000210301_100000076356 [2,0,0,0,0,0|0,0,0]=2 3070 B6R0.4 CSCOC(C)C 34a_100000212225_100011218213 [2,0,0,0,0,0|1,0,1]=4 3071 B6R0.4 CSCOC(C)C 62a_100000709892_200000210301 [2,0,0,0,0,0|1,0,1]=4 3072 B6R0.4 CSCOC(C)C 62a_200000210301_100000709892 [2,0,0,0,0,0|1,0,1]=4 3073 B6R0.4 [13CH3]C(=O)CCC#N 1458a_100011934036_200025704644 [2,0,0,0,0,0|1,0,1]=4 3074 B6R0.4 [13CH3]OCCC(=O)N 34a_100000757172_200025704644 [2,0,0,0,0,0|1,1,0]=4 3075 B6R0.4 [13CH3]OCCC(=O)N 7a_100000757172_200025704644 [2,0,0,0,0,0|1,1,0]=4 3076 B6R0.4 [13CH3]SCCC(=O)N 62a_100000744528_200025704644 [2,0,0,0,0,0|1,0,0]=3 3077 B6R0.4 [13CH3]SCCC(=O)N 62a_200025704644_100000744528 [2,0,0,0,0,0|1,0,0]=3 3078 B8R0.1 C/C=C/C(C)OCSC 34a_200102604097_100011218213 [1,1,0,0,0,0|2,0,0]=4 3079 B8R0.1 C/C=C/CC(=O)CSC 1458a_100000184570_100102629194 [1,1,0,0,0,0|1,0,1]=4 3080 B8R0.1 CC=CC(=O)CCSC 1458a_100000210699_100000751147 [1,1,0,0,0,0|1,0,1]=4 3081 B8R0.1 CC=CCC(=O)CSC 1458a_100000184570_100000070051 [1,1,0,0,0,0|1,0,1]=4 3082 B8R0.1 CCCC(C)COCC 34a_100000688023_100000210202 [1,1,0,0,0,0|1,0,1]=4 3083 B8R0.1 CCCC(C)COCC 34a_100121572206_100011216630 [1,1,0,0,0,0|1,0,1]=4 3084 B8R0.1 CCCC(C)COCC 7a_100000688023_100000210202 [1,1,0,0,0,0|1,0,1]=4 3085 B8R0.1 CCCCC(C)OCC 34a_100000687866_100000210202 [1,1,0,0,0,0|1,0,1]=4 3086 B8R0.1 CCCCC(C)OCC 34a_100121572206_200011215066 [1,1,0,0,0,0|1,0,1]=4 3087 B8R0.1 CCCCC(C)OCC 7a_100000687866_100000210202 [1,1,0,0,0,0|1,0,1]=4 3088 B8R0.1 CCC[C@H](N)COCC 34a_100000732646_100000210202 [1,1,0,0,0,0|1,0,1]=4 3089 B8R0.1 CCNC(C)CCSC 270004a_100015525214_100011217047 [1,1,0,0,0,0|1,0,1]=4 3090 B8R0.1 CCOC(=O)CCSC 62a_100000765890_200000210301 [1,1,0,0,0,0|0,0,2]=4 3091 B8R0.1 CCOC(=O)CCSC 62a_200000210301_100000765890 [1,1,0,0,0,0|0,0,2]=4 3092 B8R0.1 CCOC(=O)CCS[13CH3] 62a_100000765890_200025704644 [1,1,0,0,0,0|0,0,2]=4 3093 B8R0.1 CCOC(=O)CCS[13CH3] 62a_200025704644_100000765890 [1,1,0,0,0,0|0,0,2]=4 3094 B8R0.1 CCOCC(N)COC 34a_100000724102_100000210202 [1,1,0,0,0,0|0,1,1]=4 3095 B8R0.1 CCOCC(O)CNC 2230a_102515437182_200000210301 [1,1,0,0,0,0|1,0,1]=4 3096 B8R0.1 CCOCC(O)CNC 34a_102515437182_200000210301 [1,1,0,0,0,0|1,0,1]=4 3097 B8R0.1 CCOCC(O)CN[13CH3] 2230a_102515437182_200025704644 [1,1,0,0,0,0|1,0,1]=4 3098 B8R0.1 CCOCC(O)CN[13CH3] 34a_102515437182_200025704644 [1,1,0,0,0,0|1,0,1]=4 3099 B8R0.1 CCOCC(O)COC 34a_100121572206_100011215053 [1,1,0,0,0,0|0,1,1]=4 3100 B8R0.1 COC[C@@H](N)CCSC 34a_100011827619_200000210301 [1,1,0,0,0,0|2,0,0]=4 3101 B8R0.1 CSCCN(C)CC=O 2230a_100000686725_200015260668 [1,1,0,0,0,0|2,0,0]=4 3102 B8R0.1 CSCCN(C)CC=O 269982a_100000686725_200015260668 [1,1,0,0,0,0|2,0,0]=4 3103 B8R0.1 CSCC[C@H](N)CO[13CH3] 34a_100011827619_200025704644 [1,1,0,0,0,0|2,0,0]=4 3104 B8R0.4 C#CCCCOCC=O 34a_100000215630_200009817547 [1,1,0,0,0,0|1,0,1]=4 3105 B8R0.4 C#CCCCOCC=O 7a_100000215630_200015260668 [1,1,0,0,0,0|1,0,1]=4 3106 B8R0.4 C#CCOCCCSC 34a_100000690336_100000184674 [1,1,0,0,0,0|0,0,2]=4 3107 B8R0.4 C#CCOCCCSC 7a_100000690336_100000038162 [1,1,0,0,0,0|0,0,2]=4 3108 B8R0.4 C/C=C/CCOCC=O 34a_100016278192_200009817547 [1,1,0,0,0,0|1,0,1]=4 3109 B8R0.4 C/C=C/CCOCCC 34a_100016278192_100000210303 [1,1,0,0,0,0|2,0,0]=4 3110 B8R0.4 C/C=C/CCOCSC 34a_100016278192_100011218213 [1,1,0,0,0,0|1,0,0]=3 3111 B8R0.4 C/C=C/CNCCCC 7a_106832991798_100102629194 [1,1,0,0,0,0|2,0,0]=4 3112 B8R0.4 C/C=C/COCCCC 34a_100000210227_100102629194 [1,1,0,0,0,0|2,0,0]=4 3113 B8R0.4 C/C=C/COCCCC 34a_100016270725_100000210210 [1,1,0,0,0,0|2,0,0]=4 3114 B8R0.4 C/C=C/COCCCC 7a_100000210227_100102629194 [1,1,0,0,0,0|2,0,0]=4 3115 B8R0.4 C/C=C/COCCOC 34a_100000210237_100102629194 [1,1,0,0,0,0|1,1,0]=4 3116 B8R0.4 C/C=C/COCCOC 34a_100016270725_100011201679 [1,1,0,0,0,0|1,1,0]=4 3117 B8R0.4 C/C=C/COCCSC 34a_100000230434_100102629194 [1,1,0,0,0,0|1,0,0]=3 3118 B8R0.4 C/C=C/COCCSC 34a_100016270725_100000212216 [1,1,0,0,0,0|1,0,0]=3 3119 B8R0.4 C/C=C/COCCSC 7a_100000230434_100102629194 [1,1,0,0,0,0|1,0,0]=3 3120 B8R0.4 C/C=C/CSCCCC 62a_100000210211_100102629194 [1,1,0,0,0,0|2,0,0]=4 3121 B8R0.4 C/C=C/CSCCCC 62a_100102629194_100000210210 [1,1,0,0,0,0|2,0,0]=4 3122 B8R0.4 C/C=C/CSCCOC 62a_100000233755_100102629194 [1,1,0,0,0,0|1,1,0]=4 3123 B8R0.4 C/C=C/CSCCOC 62a_100102629194_100000233755 [1,1,0,0,0,0|1,1,0]=4 3124 B8R0.4 C/C=C/CSCCSC 62a_100000212216_100102629194 [1,1,0,0,0,0|1,0,0]=3 3125 B8R0.4 C/C=C/CSCCSC 62a_100102629194_100000751147 [1,1,0,0,0,0|1,0,0]=3 3126 B8R0.4 C=CCCCCCSC 62a_100000700193_200000210301 [1,1,0,0,0,0|1,0,1]=4 3127 B8R0.4 C=CCCCCCSC 62a_200000210301_100000700193 [1,1,0,0,0,0|1,0,1]=4 3128 B8R0.4 C=CCCCCCS[13CH3] 62a_100000700193_200025704644 [1,1,0,0,0,0|1,0,1]=4 3129 B8R0.4 C=CCCCCCS[13CH3] 62a_200025704644_100000700193 [1,1,0,0,0,0|1,0,1]=4 3130 B8R0.4 C=CCCCCSCC 62a_100000210202_100011215482 [1,1,0,0,0,0|1,0,1]=4 3131 B8R0.4 C=CCCCCSCC 62a_100011215482_100000210202 [1,1,0,0,0,0|1,0,1]=4 3132 B8R0.4 C=CCCCCSCF 62a_100011215482_100015361967 [1,1,0,0,0,0|1,0,1]=4 3133 B8R0.4 C=CCCCCSCF 62a_100015361967_100011215482 [1,1,0,0,0,0|1,0,1]=4 3134 B8R0.4 C=CCCCNCSC 2230a_100000700776_100011218213 [1,1,0,0,0,0|1,0,1]=4 3135 B8R0.4 C=CCCCNCSC 34a_100000700776_100011218213 [1,1,0,0,0,0|1,0,1]=4 3136 B8R0.4 C=CCCCOCC=O 34a_100000758997_200009817547 [1,1,0,0,0,0|1,0,1]=4 3137 B8R0.4 C=CCCCOCC=O 7a_100000758997_200015260668 [1,1,0,0,0,0|1,0,1]=4 3138 B8R0.4 C=CCCCOCSC 34a_100000758997_100011218213 [1,1,0,0,0,0|1,0,1]=4 3139 B8R0.4 C=CCCCSCSC 62a_100011218213_100000757094 [1,1,0,0,0,0|1,0,1]=4 3140 B8R0.4 C=CCCCSCSC 62a_100011713584_100011218213 [1,1,0,0,0,0|1,0,1]=4 3141 B8R0.4 C=CCCNCCSC 2230a_100015191253_100000751147 [1,1,0,0,0,0|1,0,1]=4 3142 B8R0.4 C=CCCNCCSC 2230a_100020590264_100000754431 [1,1,0,0,0,0|1,0,1]=4 3143 B8R0.4 C=CCCOCCSC 34a_100000230434_100000754431 [1,1,0,0,0,0|1,0,1]=4 3144 B8R0.4 C=CCCOCCSC 34a_100011205117_100000212216 [1,1,0,0,0,0|1,0,1]=4 3145 B8R0.4 C=CCCOCCSC 7a_100000230434_100000754431 [1,1,0,0,0,0|1,0,1]=4 3146 B8R0.4 C=CCCSCCSC 62a_100000212216_100000754431 [1,1,0,0,0,0|1,0,1]=4 3147 B8R0.4 C=CCCSCCSC 62a_100000754431_100000751147 [1,1,0,0,0,0|1,0,1]=4 3148 B8R0.4 C=CCNCCCSC 2230a_100000749238_100000210623 [1,1,0,0,0,0|1,0,1]=4 3149 B8R0.4 C=CCOCCCCC 34a_100000210253_100015514636 [1,1,0,0,0,0|1,0,1]=4 3150 B8R0.4 C=CCOCCCCC 34a_200000210373_100000718602 [1,1,0,0,0,0|1,0,1]=4 3151 B8R0.4 C=CCOCCCCC 7a_100000210253_100015514636 [1,1,0,0,0,0|1,0,1]=4 3152 B8R0.4 C=CCOCCCNC 34a_100000213112_100015514636 [1,1,0,0,0,0|1,0,1]=4 3153 B8R0.4 C=CCOCCCOC 34a_100000740835_100015514636 [1,1,0,0,0,0|0,1,1]=4 3154 B8R0.4 C=CCOCCCOC 34a_200000210373_100000740836 [1,1,0,0,0,0|0,1,1]=4 3155 B8R0.4 C=CCOCCCSC 34a_100000690336_100015514636 [1,1,0,0,0,0|0,0,1]=3 3156 B8R0.4 C=CCOCCCSC 7a_100000690336_100015514636 [1,1,0,0,0,0|0,0,1]=3 3157 B8R0.4 C=COCCCCOC 34a_100000031558_200000210301 [1,1,0,0,0,0|0,1,1]=4 3158 B8R0.4 C=COCCCCOC 7a_100000031558_200000210301 [1,1,0,0,0,0|0,1,1]=4 3159 B8R0.4 C=COCCCCO[13CH3] 34a_100000031558_200025704644 [1,1,0,0,0,0|0,1,1]=4 3160 B8R0.4 C=COCCCCO[13CH3] 7a_100000031558_200025704644 [1,1,0,0,0,0|0,1,1]=4 3161 B8R0.4 C=COCCCNCC 2230a_100000210767_100000210202 [1,1,0,0,0,0|1,0,1]=4 3162 B8R0.4 C=COCCCNCC 34a_100000210767_100000210202 [1,1,0,0,0,0|1,0,1]=4 3163 B8R0.4 C=COCCCNCF 34a_100000210767_100015361967 [1,1,0,0,0,0|1,0,1]=4 3164 B8R0.4 C=COCCOCCC 34a_100000033082_100000210303 [1,1,0,0,0,0|1,0,1]=4 3165 B8R0.4 C=COCCOCCC 34a_100000210258_100000039644 [1,1,0,0,0,0|1,0,1]=4 3166 B8R0.4 C=COCCOCSC 34a_100000033082_100011218213 [1,1,0,0,0,0|0,0,1]=3 3167 B8R0.4 C=COCCSCCC 62a_100000039644_100000210303 [1,1,0,0,0,0|1,0,1]=4 3168 B8R0.4 C=COCCSCCC 62a_100000210303_100000039644 [1,1,0,0,0,0|1,0,1]=4 3169 B8R0.4 C=COCCSCOC 62a_100000039644_100000766300 [1,1,0,0,0,0|0,1,1]=4 3170 B8R0.4 C=COCCSCOC 62a_100000766300_100000039644 [1,1,0,0,0,0|0,1,1]=4 3171 B8R0.4 C=COCCSCSC 62a_100000039644_100011218213 [1,1,0,0,0,0|0,0,1]=3 3172 B8R0.4 C=COCCSCSC 62a_100011218213_100000039644 [1,1,0,0,0,0|0,0,1]=3 3173 B8R0.4 CC#CCCOCC=O 34a_100000750427_200009817547 [1,1,0,0,0,0|1,0,1]=4 3174 B8R0.4 CC#CCCOCSC 34a_100000750427_100011218213 [1,1,0,0,0,0|1,0,1]=4 3175 B8R0.4 CC#CCNCCSC 2230a_100000685387_100000751147 [1,1,0,0,0,0|1,0,1]=4 3176 B8R0.4 CC#CCNCCSC 2230a_100020590264_100000748600 [1,1,0,0,0,0|1,0,1]=4 3177 B8R0.4 CC#CCNCCSC 34a_100000685387_100000212216 [1,1,0,0,0,0|1,0,1]=4 3178 B8R0.4 CC#CCOCCSC 34a_100000230434_100000748600 [1,1,0,0,0,0|1,0,1]=4 3179 B8R0.4 CC#CCOCCSC 34a_100000761923_100000212216 [1,1,0,0,0,0|1,0,1]=4 3180 B8R0.4 CC#CCOCCSC 7a_100000230434_100000748600 [1,1,0,0,0,0|1,0,1]=4 3181 B8R0.4 CC#CCSCCSC 62a_100000212216_100000748600 [1,1,0,0,0,0|1,0,1]=4 3182 B8R0.4 CC#CCSCCSC 62a_100000748600_100000751147 [1,1,0,0,0,0|1,0,1]=4 3183 B8R0.4 CC/C=C/CCCOC 34a_100016287902_200000210301 [1,1,0,0,0,0|1,1,0]=4 3184 B8R0.4 CC/C=C/CCCOC 7a_100016287902_200000210301 [1,1,0,0,0,0|1,1,0]=4 3185 B8R0.4 CC/C=C/CCCO[13CH3] 34a_100016287902_200025704644 [1,1,0,0,0,0|1,1,0]=4 3186 B8R0.4 CC/C=C/CCCO[13CH3] 7a_100016287902_200025704644 [1,1,0,0,0,0|1,1,0]=4 3187 B8R0.4 CC/C=C\COCSC 34a_100016268518_100011218213 [1,1,0,0,0,0|2,0,0]=4 3188 B8R0.4 CC/C=C\CSCSC 62a_100011218213_100103147603 [1,1,0,0,0,0|2,0,0]=4 3189 B8R0.4 CC/C=C\CSCSC 62a_100103147603_100011218213 [1,1,0,0,0,0|2,0,0]=4 3190 B8R0.4 CC=CCCCOCC 34a_100020645299_100000210202 [1,1,0,0,0,0|1,0,1]=4 3191 B8R0.4 CC=CCCCOCF 34a_100020645299_100015361967 [1,1,0,0,0,0|1,1,0]=4 3192 B8R0.4 CC=CCNCCCC 2230a_100000102301_100000070051 [1,1,0,0,0,0|2,0,0]=4 3193 B8R0.4 CC=CCNCCCC 7a_106832991798_100000070051 [1,1,0,0,0,0|2,0,0]=4 3194 B8R0.4 CC=CCNCCOC 2230a_100000209980_100000070051 [1,1,0,0,0,0|1,1,0]=4 3195 B8R0.4 CC=CCNCCSC 2230a_100020590264_100000070051 [1,1,0,0,0,0|1,0,0]=3 3196 B8R0.4 CC=CCOCCCC 34a_100000210227_100000070051 [1,1,0,0,0,0|2,0,0]=4 3197 B8R0.4 CC=CCOCCCC 7a_100000210227_100000070051 [1,1,0,0,0,0|2,0,0]=4 3198 B8R0.4 CC=CCOCCOC 34a_100000210237_100000070051 [1,1,0,0,0,0|1,1,0]=4 3199 B8R0.4 CC=CCOCCSC 34a_100000230434_100000070051 [1,1,0,0,0,0|1,0,0]=3 3200 B8R0.4 CC=CCOCCSC 7a_100000230434_100000070051 [1,1,0,0,0,0|1,0,0]=3 3201 B8R0.4 CC=CCSCCCC 62a_100000070051_100000210210 [1,1,0,0,0,0|2,0,0]=4 3202 B8R0.4 CC=CCSCCCC 62a_100000210211_100000070051 [1,1,0,0,0,0|2,0,0]=4 3203 B8R0.4 CC=CCSCCOC 62a_100000070051_100000233755 [1,1,0,0,0,0|1,1,0]=4 3204 B8R0.4 CC=CCSCCOC 62a_100000233755_100000070051 [1,1,0,0,0,0|1,1,0]=4 3205 B8R0.4 CC=CCSCCSC 62a_100000070051_100000751147 [1,1,0,0,0,0|1,0,0]=3 3206 B8R0.4 CC=CCSCCSC 62a_100000212216_100000070051 [1,1,0,0,0,0|1,0,0]=3 3207 B8R0.4 CC=NNCCCCC 4a_100000694160_200000210099 [1,1,0,0,0,0|2,0,0]=4 3208 B8R0.4 CCCCCCCSC 62a_100000210614_200000210301 [1,1,0,0,0,0|1,0,1]=4 3209 B8R0.4 CCCCCCCSC 62a_200000210301_100000210316 [1,1,0,0,0,0|1,0,1]=4 3210 B8R0.4 CCCCCCCS[13CH3] 62a_100000210614_200025704644 [1,1,0,0,0,0|1,0,1]=4 3211 B8R0.4 CCCCCCCS[13CH3] 62a_200025704644_100000210316 [1,1,0,0,0,0|1,0,1]=4 3212 B8R0.4 CCCCCCOCC 34a_100000210259_100000210202 [1,1,0,0,0,0|1,0,1]=4 3213 B8R0.4 CCCCCCOCC 34a_100121572206_100000210314 [1,1,0,0,0,0|1,0,1]=4 3214 B8R0.4 CCCCCCOCC 7a_100000210259_100000210202 [1,1,0,0,0,0|1,0,1]=4 3215 B8R0.4 CCCCCCSCC 62a_100000210202_100000210757 [1,1,0,0,0,0|1,0,1]=4 3216 B8R0.4 CCCCCCSCC 62a_100000210314_100000210202 [1,1,0,0,0,0|1,0,1]=4 3217 B8R0.4 CCCCCCSCF 62a_100000210314_100015361967 [1,1,0,0,0,0|1,0,1]=4 3218 B8R0.4 CCCCCCSCF 62a_100015361967_100000210757 [1,1,0,0,0,0|1,0,1]=4 3219 B8R0.4 CCCCCNCC=O 2230a_100000209983_200015260668 [1,1,0,0,0,0|2,0,0]=4 3220 B8R0.4 CCCCCNCSC 2230a_100000209983_100011218213 [1,1,0,0,0,0|1,0,1]=4 3221 B8R0.4 CCCCCOCC=O 34a_100000210253_200009817547 [1,1,0,0,0,0|1,0,0]=3 3222 B8R0.4 CCCCCOCC=O 7a_100000210253_200015260668 [1,1,0,0,0,0|1,0,0]=3 3223 B8R0.4 CCCCCOCCBr 34a_100000211926_100000718602 [1,1,0,0,0,0|1,0,1]=4 3224 B8R0.4 CCCCCOCCC 34a_100000210253_100000210303 [1,1,0,0,0,0|1,0,1]=4 3225 B8R0.4 CCCCCOCCC 34a_100000210258_100000718602 [1,1,0,0,0,0|1,0,1]=4 3226 B8R0.4 CCCCCOCCC 7a_100000210253_100000210303 [1,1,0,0,0,0|1,0,1]=4 3227 B8R0.4 CCCCCOCCF 34a_100000210253_100011217306 [1,1,0,0,0,0|1,0,1]=4 3228 B8R0.4 CCCCCOCCF 7a_100000210253_100011217306 [1,1,0,0,0,0|1,0,1]=4 3229 B8R0.4 CCCCCOCCN 34a_100000210304_100000718602 [1,1,0,0,0,0|1,0,1]=4 3230 B8R0.4 CCCCCOCCO 34a_100000210253_100000211926 [1,1,0,0,0,0|1,0,1]=4 3231 B8R0.4 CCCCCOCCO 7a_100000210253_100000211926 [1,1,0,0,0,0|1,0,1]=4 3232 B8R0.4 CCCCCOCSC 34a_100000210253_100011218213 [1,1,0,0,0,0|1,0,1]=4 3233 B8R0.4 CCCCCSCC=O 62a_100000210326_200015260668 [1,1,0,0,0,0|1,1,0]=4 3234 B8R0.4 CCCCCSCC=O 62a_200015260668_100000210326 [1,1,0,0,0,0|1,1,0]=4 3235 B8R0.4 CCCCCSCSC 62a_100000210326_100011218213 [1,1,0,0,0,0|1,0,1]=4 3236 B8R0.4 CCCCCSCSC 62a_100011218213_100000210326 [1,1,0,0,0,0|1,0,1]=4 3237 B8R0.4 CCCCNCCSC 2230a_100000102301_100000751147 [1,1,0,0,0,0|1,0,1]=4 3238 B8R0.4 CCCCNCCSC 2230a_100020590264_100000210211 [1,1,0,0,0,0|1,0,1]=4 3239 B8R0.4 CCCCNCCSC 7a_106832991798_100000212216 [1,1,0,0,0,0|1,0,1]=4 3240 B8R0.4 CCCCOCCSC 34a_100000210227_100000212216 [1,1,0,0,0,0|1,0,1]=4 3241 B8R0.4 CCCCOCCSC 34a_100000230434_100000210210 [1,1,0,0,0,0|1,0,1]=4 3242 B8R0.4 CCCCOCCSC 62a_100000743108_200000210301 [1,1,0,0,0,0|1,0,1]=4 3243 B8R0.4 CCCCOCCSC 62a_200000210301_100000743108 [1,1,0,0,0,0|1,0,1]=4 3244 B8R0.4 CCCCOCCSC 7a_100000210227_100000212216 [1,1,0,0,0,0|1,0,1]=4 3245 B8R0.4 CCCCOCCSC 7a_100000230434_100000210211 [1,1,0,0,0,0|1,0,1]=4 3246 B8R0.4 CCCCOCCS[13CH3] 62a_100000743108_200025704644 [1,1,0,0,0,0|1,0,1]=4 3247 B8R0.4 CCCCOCCS[13CH3] 62a_200025704644_100000743108 [1,1,0,0,0,0|1,0,1]=4 3248 B8R0.4 CCCCOCOCC 34a_100121572206_100011995733 [1,1,0,0,0,0|1,0,1]=4 3249 B8R0.4 CCCCSCCSC 62a_100000210211_100000751147 [1,1,0,0,0,0|1,0,1]=4 3250 B8R0.4 CCCCSCCSC 62a_100000212216_100000210210 [1,1,0,0,0,0|1,0,1]=4 3251 B8R0.4 CCCCSCOCC 62a_100000210211_100000739092 [1,1,0,0,0,0|1,0,1]=4 3252 B8R0.4 CCCCSCOCC 62a_100000739092_100000210210 [1,1,0,0,0,0|1,0,1]=4 3253 B8R0.4 CCCNCCCSC 2230a_100000749238_100000210303 [1,1,0,0,0,0|1,0,1]=4 3254 B8R0.4 CCCNCCOCC 2230a_102516460346_100000210303 [1,1,0,0,0,0|1,0,1]=4 3255 B8R0.4 CCCNCCOCC 34a_102516460346_100000210303 [1,1,0,0,0,0|1,0,1]=4 3256 B8R0.4 CCCOCCCNC 2230a_100011217757_200000210301 [1,1,0,0,0,0|1,0,1]=4 3257 B8R0.4 CCCOCCCNC 34a_100000213112_100000210303 [1,1,0,0,0,0|1,0,1]=4 3258 B8R0.4 CCCOCCCNC 34a_100011217757_200000210301 [1,1,0,0,0,0|1,0,1]=4 3259 B8R0.4 CCCOCCCN[13CH3] 2230a_100011217757_200025704644 [1,1,0,0,0,0|1,0,1]=4 3260 B8R0.4 CCCOCCCN[13CH3] 34a_100011217757_200025704644 [1,1,0,0,0,0|1,0,1]=4 3261 B8R0.4 CCCOCCCOC 34a_100000210258_100000740836 [1,1,0,0,0,0|0,1,1]=4 3262 B8R0.4 CCCOCCCOC 34a_100000740835_100000210303 [1,1,0,0,0,0|0,1,1]=4 3263 B8R0.4 CCCOCCCSC 34a_100000690336_100000210303 [1,1,0,0,0,0|0,0,1]=3 3264 B8R0.4 CCCOCCCSC 7a_100000690336_100000210303 [1,1,0,0,0,0|0,0,1]=3 3265 B8R0.4 CCCOCCOCC 34a_100000210136_100000210303 [1,1,0,0,0,0|1,0,1]=4 3266 B8R0.4 CCCOCCOCC 34a_100000210258_100000210147 [1,1,0,0,0,0|1,0,1]=4 3267 B8R0.4 CCCOCCOCC 34a_100000752267_100000210202 [1,1,0,0,0,0|1,0,1]=4 3268 B8R0.4 CCCOCCOCC 34a_100121572206_100011215938 [1,1,0,0,0,0|1,0,1]=4 3269 B8R0.4 CCCOCCOCC 7a_100000210136_100000210303 [1,1,0,0,0,0|1,0,1]=4 3270 B8R0.4 CCCOCCOCC 7a_100000752267_100000210202 [1,1,0,0,0,0|1,0,1]=4 3271 B8R0.4 CCCSCCCC=O 62a_100000210303_200011292268 [1,1,0,0,0,0|2,0,0]=4 3272 B8R0.4 CCCSCCCC=O 62a_200011292268_100000210303 [1,1,0,0,0,0|2,0,0]=4 3273 B8R0.4 CCCSCCOCC 34a_200000230433_100000210202 [1,1,0,0,0,0|1,0,1]=4 3274 B8R0.4 CCCSCCOCC 62a_100000210147_100000210303 [1,1,0,0,0,0|1,0,1]=4 3275 B8R0.4 CCCSCCOCC 62a_100000210303_100011215890 [1,1,0,0,0,0|1,0,1]=4 3276 B8R0.4 CCCSCCOCC 7a_200000230433_100000210202 [1,1,0,0,0,0|1,0,1]=4 3277 B8R0.4 CCNCCCCC=O 2230a_100015525214_100000139335 [1,1,0,0,0,0|2,0,0]=4 3278 B8R0.4 CCNCCCOCC 2230a_100000210961_100000210202 [1,1,0,0,0,0|1,0,1]=4 3279 B8R0.4 CCNCCCOCC 2230a_100015525214_100012232248 [1,1,0,0,0,0|1,0,1]=4 3280 B8R0.4 CCNCCCOCC 34a_100000210961_100000210202 [1,1,0,0,0,0|1,0,1]=4 3281 B8R0.4 CCOCCCCCBr 34a_100000746331_100000210202 [1,1,0,0,0,0|1,0,1]=4 3282 B8R0.4 CCOCCCCCBr 7a_100000746331_100000210202 [1,1,0,0,0,0|1,0,1]=4 3283 B8R0.4 CCOCCCCCCl 34a_100000746330_100000210202 [1,1,0,0,0,0|1,0,1]=4 3284 B8R0.4 CCOCCCCCCl 7a_100000746330_100000210202 [1,1,0,0,0,0|1,0,1]=4 3285 B8R0.4 CCOCCCCCF 34a_100121572206_100000729378 [1,1,0,0,0,0|1,0,1]=4 3286 B8R0.4 CCOCCCCCI 34a_200012148887_100000210202 [1,1,0,0,0,0|1,0,1]=4 3287 B8R0.4 CCOCCCCCI 7a_200012148887_100000210202 [1,1,0,0,0,0|1,0,1]=4 3288 B8R0.4 CCOCCCCCN 34a_100000762737_100000210202 [1,1,0,0,0,0|1,0,1]=4 3289 B8R0.4 CCOCCCCCO 34a_100121572206_100000746330 [1,1,0,0,0,0|1,0,1]=4 3290 B8R0.4 CCOCCCCOC 34a_100000740925_100000210202 [1,1,0,0,0,0|0,1,1]=4 3291 B8R0.4 CCOCCCCOC 34a_100121572206_100000755781 [1,1,0,0,0,0|0,1,1]=4 3292 B8R0.4 CCOCCCCSC 34a_100011217163_100000210202 [1,1,0,0,0,0|0,0,1]=3 3293 B8R0.4 CCOCCCCSC 7a_100011217163_100000210202 [1,1,0,0,0,0|0,0,1]=3 3294 B8R0.4 CCOCCCNCF 34a_100000210961_100015361967 [1,1,0,0,0,0|1,0,1]=4 3295 B8R0.4 CCOCCCOCC 34a_100000757476_100000210202 [1,1,0,0,0,0|0,1,1]=4 3296 B8R0.4 CCOCCCOCC 34a_100121572206_100012232248 [1,1,0,0,0,0|0,1,1]=4 3297 B8R0.4 CCOCCCOCC 7a_100000757476_100000210202 [1,1,0,0,0,0|0,1,1]=4 3298 B8R0.4 CCOCCCOCF 34a_100000757476_100015361967 [1,1,0,0,0,0|0,1,1]=4 3299 B8R0.4 CCOCCCOCF 7a_100000757476_100015361967 [1,1,0,0,0,0|0,1,1]=4 3300 B8R0.4 CCOCCCSCC 34a_100011216438_100000210202 [1,1,0,0,0,0|0,0,1]=3 3301 B8R0.4 CCOCCCSCC 62a_100000210202_100012232248 [1,1,0,0,0,0|0,0,1]=3 3302 B8R0.4 CCOCCCSCC 62a_100012232248_100000210202 [1,1,0,0,0,0|0,0,1]=3 3303 B8R0.4 CCOCCCSCC 7a_100011216438_100000210202 [1,1,0,0,0,0|0,0,1]=3 3304 B8R0.4 CCOCCCSCF 62a_100012232248_100015361967 [1,1,0,0,0,0|0,0,1]=3 3305 B8R0.4 CCOCCCSCF 62a_100015361967_100012232248 [1,1,0,0,0,0|0,0,1]=3 3306 B8R0.4 CCOCCNCOC 2230a_102516460346_100000766300 [1,1,0,0,0,0|0,1,1]=4 3307 B8R0.4 CCOCCNCSC 2230a_102516460346_100011218213 [1,1,0,0,0,0|0,0,1]=3 3308 B8R0.4 CCOCCNCSC 34a_102516460346_100011218213 [1,1,0,0,0,0|0,0,1]=3 3309 B8R0.4 CCOCCOCC=O 34a_100000210136_200009817547 [1,1,0,0,0,0|2,0,0]=4 3310 B8R0.4 CCOCCOCC=O 7a_100000210136_200015260668 [1,1,0,0,0,0|2,0,0]=4 3311 B8R0.4 CCOCCOCSC 34a_100000210136_100011218213 [1,1,0,0,0,0|0,0,1]=3 3312 B8R0.4 CCOCCSCOC 62a_100000210147_100000766300 [1,1,0,0,0,0|0,1,1]=4 3313 B8R0.4 CCOCCSCOC 62a_100000766300_100011215890 [1,1,0,0,0,0|0,1,1]=4 3314 B8R0.4 CCOCCSCSC 62a_100000210147_100011218213 [1,1,0,0,0,0|0,0,1]=3 3315 B8R0.4 CCOCCSCSC 62a_100011218213_100011215890 [1,1,0,0,0,0|0,0,1]=3 3316 B8R0.4 CCOCSCCOC 62a_100000233755_100000739092 [1,1,0,0,0,0|0,1,1]=4 3317 B8R0.4 CCOCSCCOC 62a_100000739092_100000233755 [1,1,0,0,0,0|0,1,1]=4 3318 B8R0.4 CCOCSCCSC 62a_100000212216_100000739092 [1,1,0,0,0,0|0,0,1]=3 3319 B8R0.4 CCOCSCCSC 62a_100000739092_100000751147 [1,1,0,0,0,0|0,0,1]=3 3320 B8R0.4 CCSCCCCC=O 62a_100000139335_100000210202 [1,1,0,0,0,0|1,0,0]=3 3321 B8R0.4 CCSCCCCC=O 62a_100000210202_100000139335 [1,1,0,0,0,0|1,0,0]=3 3322 B8R0.4 CCSCCCCOC 62a_100000210202_100000730899 [1,1,0,0,0,0|2,0,0]=4 3323 B8R0.4 CCSCCCCOC 62a_100000730899_100000210202 [1,1,0,0,0,0|2,0,0]=4 3324 B8R0.4 CCSCCCOCF 34a_100011216438_100015361967 [1,1,0,0,0,0|1,0,1]=4 3325 B8R0.4 CCSCCCOCF 7a_100011216438_100015361967 [1,1,0,0,0,0|1,0,1]=4 3326 B8R0.4 CCSCCNCC=O 2230a_100000106463_200015260668 [1,1,0,0,0,0|2,0,0]=4 3327 B8R0.4 CCSCCNCSC 2230a_100000106463_100011218213 [1,1,0,0,0,0|0,1,1]=4 3328 B8R0.4 CCSCCOCC=O 34a_100000212035_200009817547 [1,1,0,0,0,0|2,0,0]=4 3329 B8R0.4 CCSCCOCC=O 7a_100000212035_200015260668 [1,1,0,0,0,0|2,0,0]=4 3330 B8R0.4 CCSCCOCSC 34a_100000212035_100011218213 [1,1,0,0,0,0|0,1,1]=4 3331 B8R0.4 CCSCCSCC=O 62a_100000757381_200015260668 [1,1,0,0,0,0|2,0,0]=4 3332 B8R0.4 CCSCCSCC=O 62a_200015260668_100000757381 [1,1,0,0,0,0|2,0,0]=4 3333 B8R0.4 CCSCCSCSC 62a_100000757381_100011218213 [1,1,0,0,0,0|0,1,1]=4 3334 B8R0.4 CCSCCSCSC 62a_100011218213_100000757381 [1,1,0,0,0,0|0,1,1]=4 3335 B8R0.4 CNCCCCCC=O 2230a_106832991635_100000139337 [1,1,0,0,0,0|2,0,0]=4 3336 B8R0.4 CNCCCCCC=O 7a_106832991635_100000139337 [1,1,0,0,0,0|2,0,0]=4 3337 B8R0.4 CNCCCOCC=O 34a_100000213112_200009817547 [1,1,0,0,0,0|1,0,0]=3 3338 B8R0.4 CNCCCOCCF 34a_100000213112_100011217306 [1,1,0,0,0,0|1,0,1]=4 3339 B8R0.4 CNCCCOCCO 34a_100000213112_100000211926 [1,1,0,0,0,0|1,0,1]=4 3340 B8R0.4 CNCCCOCSC 34a_100000213112_100011218213 [1,1,0,0,0,0|1,0,1]=4 3341 B8R0.4 COCCCCSCF 62a_100000730899_100015361967 [1,1,0,0,0,0|2,0,0]=4 3342 B8R0.4 COCCCCSCF 62a_100015361967_100000730899 [1,1,0,0,0,0|2,0,0]=4 3343 B8R0.4 COCCCNCC=O 34a_100150723488_200009817547 [1,1,0,0,0,0|1,1,0]=4 3344 B8R0.4 COCCCNCSC 34a_100150723488_100011218213 [1,1,0,0,0,0|2,0,0]=4 3345 B8R0.4 COCCCOCC=O 34a_100000740835_200009817547 [1,1,0,0,0,0|0,1,0]=3 3346 B8R0.4 COCCCOCCBr 34a_100000211926_100000740836 [1,1,0,0,0,0|0,1,1]=4 3347 B8R0.4 COCCCOCCF 34a_100000740835_100011217306 [1,1,0,0,0,0|0,1,1]=4 3348 B8R0.4 COCCCOCCN 34a_100000210304_100000740836 [1,1,0,0,0,0|0,1,1]=4 3349 B8R0.4 COCCCOCCO 34a_100000740835_100000211926 [1,1,0,0,0,0|0,1,1]=4 3350 B8R0.4 COCCCOCSC 34a_100000740835_100011218213 [1,1,0,0,0,0|0,1,1]=4 3351 B8R0.4 COCCCSCC=O 62a_100000709357_200015260668 [1,1,0,0,0,0|0,2,0]=4 3352 B8R0.4 COCCCSCC=O 62a_200015260668_100000709357 [1,1,0,0,0,0|0,2,0]=4 3353 B8R0.4 COCCCSCSC 62a_100000709357_100011218213 [1,1,0,0,0,0|2,0,0]=4 3354 B8R0.4 COCCCSCSC 62a_100011218213_100000709357 [1,1,0,0,0,0|2,0,0]=4 3355 B8R0.4 COCCNCCSC 2230a_100000209980_100000751147 [1,1,0,0,0,0|2,0,0]=4 3356 B8R0.4 COCCNCCSC 2230a_100020590264_100011201679 [1,1,0,0,0,0|2,0,0]=4 3357 B8R0.4 COCCOCCSC 34a_100000210237_100000212216 [1,1,0,0,0,0|2,0,0]=4 3358 B8R0.4 COCCOCCSC 34a_100000230434_100011201679 [1,1,0,0,0,0|2,0,0]=4 3359 B8R0.4 COCCOCCSC 62a_100000695917_200000210301 [1,1,0,0,0,0|2,0,0]=4 3360 B8R0.4 COCCOCCSC 62a_200000210301_100000695917 [1,1,0,0,0,0|2,0,0]=4 3361 B8R0.4 COCCOCCSC 7a_100000230434_100000233755 [1,1,0,0,0,0|2,0,0]=4 3362 B8R0.4 COCCOCCS[13CH3] 62a_100000695917_200025704644 [1,1,0,0,0,0|2,0,0]=4 3363 B8R0.4 COCCOCCS[13CH3] 62a_200025704644_100000695917 [1,1,0,0,0,0|2,0,0]=4 3364 B8R0.4 COCCSCCSC 62a_100000212216_100000233755 [1,1,0,0,0,0|2,0,0]=4 3365 B8R0.4 COCCSCCSC 62a_100000233755_100000751147 [1,1,0,0,0,0|2,0,0]=4 3366 B8R0.4 COCNCCCSC 2230a_100000749238_100000766300 [1,1,0,0,0,0|1,0,1]=4 3367 B8R0.4 COCSCCCC=O 62a_100000766300_200011292268 [1,1,0,0,0,0|1,1,0]=4 3368 B8R0.4 COCSCCCC=O 62a_200011292268_100000766300 [1,1,0,0,0,0|1,1,0]=4 3369 B8R0.4 CSCCCCCC=O 62a_100000139337_200000210301 [1,1,0,0,0,0|1,0,0]=3 3370 B8R0.4 CSCCCCCC=O 62a_200000210301_100000139337 [1,1,0,0,0,0|1,0,0]=3 3371 B8R0.4 CSCCCCCCF 62a_100015922095_200000210301 [1,1,0,0,0,0|1,0,1]=4 3372 B8R0.4 CSCCCCCCF 62a_200000210301_100015922095 [1,1,0,0,0,0|1,0,1]=4 3373 B8R0.4 CSCCCCCCO 62a_100000766143_200000210301 [1,1,0,0,0,0|1,0,1]=4 3374 B8R0.4 CSCCCCCCO 62a_200000210301_100000766143 [1,1,0,0,0,0|1,0,1]=4 3375 B8R0.4 CSCCCCOCF 34a_100011217163_100015361967 [1,1,0,0,0,0|1,0,1]=4 3376 B8R0.4 CSCCCCOCF 7a_100011217163_100015361967 [1,1,0,0,0,0|1,0,1]=4 3377 B8R0.4 CSCCCNCC=O 2230a_100000749238_200015260668 [1,1,0,0,0,0|1,0,0]=3 3378 B8R0.4 CSCCCNCCF 2230a_100000749238_100011217306 [1,1,0,0,0,0|1,0,1]=4 3379 B8R0.4 CSCCCNCCO 2230a_100000749238_100000211926 [1,1,0,0,0,0|1,0,1]=4 3380 B8R0.4 CSCCCNCSC 2230a_100000749238_100011218213 [1,1,0,0,0,0|1,0,1]=4 3381 B8R0.4 CSCCCOCC#N 7a_100000690336_100011215382 [1,1,0,0,0,0|0,0,2]=4 3382 B8R0.4 CSCCCOCC=O 34a_100000690336_200009817547 [1,1,0,0,0,0|0,0,0]=2 3383 B8R0.4 CSCCCOCC=O 7a_100000690336_200015260668 [1,1,0,0,0,0|0,0,0]=2 3384 B8R0.4 CSCCCOCCF 34a_100000690336_100011217306 [1,1,0,0,0,0|0,0,1]=3 3385 B8R0.4 CSCCCOCCF 7a_100000690336_100011217306 [1,1,0,0,0,0|0,0,1]=3 3386 B8R0.4 CSCCCOCCO 34a_100000690336_100000211926 [1,1,0,0,0,0|0,0,1]=3 3387 B8R0.4 CSCCCOCCO 7a_100000690336_100000211926 [1,1,0,0,0,0|0,0,1]=3 3388 B8R0.4 CSCCCOCSC 34a_100000690336_100011218213 [1,1,0,0,0,0|0,0,1]=3 3389 B8R0.4 CSCCNCCSC 2230a_100020590264_100000751147 [1,1,0,0,0,0|2,0,0]=4 3390 B8R0.4 CSCCOCCSC 34a_100000230434_100000212216 [1,1,0,0,0,0|2,0,0]=4 3391 B8R0.4 CSCCOCCSC 7a_100000230434_100000212216 [1,1,0,0,0,0|2,0,0]=4 3392 B8R0.4 CSCCSCCSC 62a_100000212216_100000751147 [1,1,0,0,0,0|2,0,0]=4 3393 B8R0.4 CSCSCCCC=O 62a_100011218213_200011292268 [1,1,0,0,0,0|1,0,0]=3 3394 B8R0.4 CSCSCCCC=O 62a_200011292268_100011218213 [1,1,0,0,0,0|1,0,0]=3 3395 B8R0.4 NCCCCOCC=O 34a_100000750430_200009817547 [1,1,0,0,0,0|2,0,0]=4 3396 B8R0.4 O=CCCCCSCF 62a_100000139335_100015361967 [1,1,0,0,0,0|1,0,0]=3 3397 B8R0.4 O=CCCCCSCF 62a_100015361967_100000139335 [1,1,0,0,0,0|1,0,0]=3 3398 B8R0.4 O=CCOCCCCBr 34a_100011216708_200009817547 [1,1,0,0,0,0|2,0,0]=4 3399 B8R0.4 O=CCOCCCCCl 34a_100000210776_200009817547 [1,1,0,0,0,0|2,0,0]=4 3400 B8R0.4 O=CCOCCCCCl 7a_100000210776_200015260668 [1,1,0,0,0,0|2,0,0]=4 3401 B8R0.4 O=CCOCCCCF 34a_100011995726_200009817547 [1,1,0,0,0,0|2,0,0]=4 3402 B8R0.4 O=CCOCCCCF 7a_100011995726_200015260668 [1,1,0,0,0,0|2,0,0]=4 3403 B8R0.4 O=CCOCCCCI 34a_200012148704_200009817547 [1,1,0,0,0,0|2,0,0]=4 3404 B8R0.4 [13CH3]SCCCCCC=O 62a_100000139337_200025704644 [1,1,0,0,0,0|1,0,0]=3 3405 B8R0.4 [13CH3]SCCCCCC=O 62a_200025704644_100000139337 [1,1,0,0,0,0|1,0,0]=3 3406 B8R0.4 [13CH3]SCCCCCCF 62a_100015922095_200025704644 [1,1,0,0,0,0|1,0,1]=4 3407 B8R0.4 [13CH3]SCCCCCCF 62a_200025704644_100015922095 [1,1,0,0,0,0|1,0,1]=4 3408 B8R0.4 [13CH3]SCCCCCCO 62a_100000766143_200025704644 [1,1,0,0,0,0|1,0,1]=4 3409 B8R0.4 [13CH3]SCCCCCCO 62a_200025704644_100000766143 [1,1,0,0,0,0|1,0,1]=4 3410 B8R0.6 CCC(=O)CCCSC 1458a_100000173376_100000210202 [1,1,0,0,0,0|1,0,1]=4 3411 B8R0.6 CCCCCC(C)SC 62a_200000210301_200011218191 [1,1,0,0,0,0|1,0,1]=4 3412 B8R0.6 CCCCCC(C)SC 62a_200011218191_200000210301 [1,1,0,0,0,0|1,0,1]=4 3413 B8R0.6 CCCCCC(C)S[13CH3] 62a_200011218191_200025704644 [1,1,0,0,0,0|1,0,1]=4 3414 B8R0.6 CCCCCC(C)S[13CH3] 62a_200025704644_200011218191 [1,1,0,0,0,0|1,0,1]=4 3415 B8R0.6 CCN(C)CCCSC 62a_200000210301_100015186262 [1,1,0,0,0,0|1,0,1]=4 3416 B8R0.6 CCN(C)CCCS[13CH3] 62a_200025704644_100015186262 [1,1,0,0,0,0|1,0,1]=4 3417 B8R0.6 CCOCCC(C)CC 7a_100011215188_100000210202 [1,1,0,0,0,0|1,0,1]=4 3418 B8R0.6 CCOCCC(C)NC 270004a_106832991635_200011216536 [1,1,0,0,0,0|1,0,1]=4 3419 B8R0.6 CCOCCC(C)OC 7a_100000764861_100000210202 [1,1,0,0,0,0|0,1,1]=4 3420 B8R0.6 CNC(=O)CCCSC 11a_106832991635_100000173376 [1,1,0,0,0,0|2,0,0]=4 3421 B8R0.6 CNC(=O)CCCSC 1626a_100102657272_100000173376 [1,1,0,0,0,0|2,0,0]=4 3422 B8R0.6 CNC(=O)CCCSC 240690a_100102657272_100000173376 [1,1,0,0,0,0|2,0,0]=4 3423 B8R0.6 CNC(=O)CCCSC 527a_100102657272_100000173376 [1,1,0,0,0,0|2,0,0]=4 3424 B8R0.6 CNC(=O)CCCSC 62a_100000741757_200000210301 [1,1,0,0,0,0|2,0,0]=4 3425 B8R0.6 CNC(=O)CCCSC 62a_200000210301_100000741757 [1,1,0,0,0,0|2,0,0]=4 3426 B8R0.6 CNC(=O)CCCS[13CH3] 62a_100000741757_200025704644 [1,1,0,0,0,0|2,0,0]=4 3427 B8R0.6 CNC(=O)CCCS[13CH3] 62a_200025704644_100000741757 [1,1,0,0,0,0|2,0,0]=4 3428 B8R0.6 CNC(C)CCCSC 270004a_106832991635_100011399439 [1,1,0,0,0,0|2,0,0]=4 3429 B8R0.6 COC(=O)CCCSC 62a_100011218270_200000210301 [1,1,0,0,0,0|2,0,0]=4 3430 B8R0.6 COC(=O)CCCSC 62a_200000210301_100011218270 [1,1,0,0,0,0|2,0,0]=4 3431 B8R0.6 COC(=O)CCCS[13CH3] 62a_100011218270_200025704644 [1,1,0,0,0,0|2,0,0]=4 3432 B8R0.6 COC(=O)CCCS[13CH3] 62a_200025704644_100011218270 [1,1,0,0,0,0|2,0,0]=4 3433 B8R0.5 C=C(C)CC(=O)CSC 1458a_100000184570_100000748629 [1,1,0,0,0,0|1,0,1]=4 3434 B8R0.5 C=C(C)CN(C)CSC 2230a_100000225649_100011218213 [1,1,0,0,0,0|2,0,0]=4 3435 B8R0.5 C=C(C)CN(C)CSC 269982a_100000225649_100011218213 [1,1,0,0,0,0|2,0,0]=4 3436 B8R0.5 C=C(CCC)CC(=O)C 1458a_100000138376_200000210301 [1,1,0,0,0,0|1,0,1]=4 3437 B8R0.5 C=C(CCC)CC(=O)[13CH3] 1458a_100000138376_200025704644 [1,1,0,0,0,0|1,0,1]=4 3438 B8R0.5 CC(=O)NC(=O)CS[13CH3] 62a_200025704644_100000183797 [1,1,0,0,0,0|1,0,1]=4 3439 B8R0.5 CC(=O)N[C@H](C)CCO 240690a_100000706166_100015343762 [1,1,0,0,0,0|1,1,0]=4 3440 B8R0.5 CC(=O)N[C@H](C)CCO 527a_100000706166_100103153847 [1,1,0,0,0,0|1,1,0]=4 3441 B8R0.5 CC(=O)OC(C)SCF 62a_100009818208_100015361967 [1,1,0,0,0,0|2,0,0]=4 3442 B8R0.5 CC(=O)OC(C)SCF 62a_100015361967_100009818208 [1,1,0,0,0,0|2,0,0]=4 3443 B8R0.5 CC(CS[13CH3])CN(C)C 62a_100015348159_200025704644 [1,1,0,0,0,0|2,0,0]=4 3444 B8R0.5 CC(CS[13CH3])CN(C)C 62a_200025704644_100015348159 [1,1,0,0,0,0|2,0,0]=4 3445 B8R0.5 CCCC(=CC(=O)C)C 1458a_100020676950_200000210301 [1,1,0,0,0,0|1,0,1]=4 3446 B8R0.5 CCCC(=CC(=O)[13CH3])C 1458a_100020676950_200025704644 [1,1,0,0,0,0|1,0,1]=4 3447 B8R0.5 CCCC(=O)CC(=O)C 1458a_100000070787_100000747444 [1,1,0,0,0,0|1,0,1]=4 3448 B8R0.5 CCCC(C)CC(=O)C 1458a_100000070787_100011216630 [1,1,0,0,0,0|1,0,0]=3 3449 B8R0.5 CCCC(C)CC(=O)C 1458a_100000748435_200000210301 [1,1,0,0,0,0|1,0,0]=3 3450 B8R0.5 CCCC(C)CC(=O)[13CH3] 1458a_100000748435_200025704644 [1,1,0,0,0,0|1,0,0]=3 3451 B8R0.5 CCCC(C)NC(=O)C 11a_100000741246_100015343762 [1,1,0,0,0,0|1,0,0]=3 3452 B8R0.5 CCCC(C)NC(=O)C 1626a_100000741246_100015343762 [1,1,0,0,0,0|1,0,0]=3 3453 B8R0.5 CCCC(C)NC(=O)C 240690a_100000741246_100015343762 [1,1,0,0,0,0|1,0,0]=3 3454 B8R0.5 CCCC(C)NC(=O)C 527a_100000741246_100103153847 [1,1,0,0,0,0|1,0,0]=3 3455 B8R0.5 CCCC(C)OC(C)C 34a_100000212225_100000766640 [1,1,0,0,0,0|1,0,1]=4 3456 B8R0.5 CCCC(C)OC(C)C 34a_100000764384_100000210206 [1,1,0,0,0,0|1,0,1]=4 3457 B8R0.5 CCCC(C)OC(C)C 7a_100000764384_100000210206 [1,1,0,0,0,0|1,0,1]=4 3458 B8R0.5 CCCS(=O)CC(=O)C 1458a_100011387404_200000210301 [1,1,0,0,0,0|2,0,0]=4 3459 B8R0.5 CCCS(=O)CC(=O)[13CH3] 1458a_100011387404_200025704644 [1,1,0,0,0,0|2,0,0]=4 3460 B8R0.5 CCSC(C)CC(=O)C 1458a_200011311441_200000210301 [1,1,0,0,0,0|2,0,0]=4 3461 B8R0.5 CCSC(C)CC(=O)[13CH3] 1458a_200011311441_200025704644 [1,1,0,0,0,0|2,0,0]=4 3462 B8R0.5 CCSC(C)OC(=O)C 62a_100000210202_100009818208 [1,1,0,0,0,0|1,0,0]=3 3463 B8R0.5 CCSC(C)OC(=O)C 62a_100009818208_100000210202 [1,1,0,0,0,0|1,0,0]=3 3464 B8R0.5 CNCC(O)CC(=O)O 269956a_100011218706_200000210301 [1,1,0,0,0,0|2,0,0]=4 3465 B8R0.5 COC[C@@H](C)NC(=O)C 11a_100000764878_100015343762 [1,1,0,0,0,0|1,1,0]=4 3466 B8R0.5 COC[C@@H](C)NC(=O)C 1626a_100000764878_100015343762 [1,1,0,0,0,0|1,1,0]=4 3467 B8R0.5 COC[C@@H](C)NC(=O)C 240690a_100000764878_100015343762 [1,1,0,0,0,0|1,1,0]=4 3468 B8R0.5 COC[C@@H](C)NC(=O)C 527a_100000764878_100103153847 [1,1,0,0,0,0|1,1,0]=4 3469 B8R0.5 CSCC(=O)CC(=O)N 1458a_100000184570_100000187820 [1,1,0,0,0,0|1,0,1]=4 3470 B8R0.5 CSCC(=O)CC(=O)[O-] 1458a_100000184570_100020667443 [1,1,0,0,0,0|1,0,1]=4 3471 B8R0.5 CSCC(=O)NC(=O)C 62a_200000210301_100000183797 [1,1,0,0,0,0|1,0,1]=4 3472 B8R0.5 CSCC(C)CN(C)C 62a_100015348159_200000210301 [1,1,0,0,0,0|2,0,0]=4 3473 B8R0.5 CSCC(C)CN(C)C 62a_200000210301_100015348159 [1,1,0,0,0,0|2,0,0]=4 3474 B8R0.5 CSCN(C)CC(=O)N 2230a_100000739694_100011218213 [1,1,0,0,0,0|2,0,0]=4 3475 B8R0.5 CSCN(C)CC(=O)O 269956a_100000746989_100011218213 [1,1,0,0,0,0|2,0,0]=4 3476 B8R0.5 [13CH3]NCC(O)CC(=O)O 269956a_100011218706_200025704644 [1,1,0,0,0,0|2,0,0]=4 3477 B8R0.8 C=C(C)C(=O)CCCC 1458a_100000185857_100000210211 [1,1,0,0,0,0|2,0,0]=4 3478 B8R0.8 C=C(C)C(=O)CCSC 1458a_100000185857_100000751147 [1,1,0,0,0,0|1,0,1]=4 3479 B8R0.8 CC(=O)N(C)CCCO 240690a_100000213112_100015343762 [1,1,0,0,0,0|1,1,0]=4 3480 B8R0.8 CC(=O)N(C)CCCO 527a_100000213112_100103153847 [1,1,0,0,0,0|1,1,0]=4 3481 B8R0.8 CCC/C=C(\C)/C(=O)C 1458a_200020648666_200000210301 [1,1,0,0,0,0|1,0,1]=4 3482 B8R0.8 CCC/C=C(\C)/C(=O)[13CH3] 1458a_200020648666_200025704644 [1,1,0,0,0,0|1,0,1]=4 3483 B8R0.8 CCCCC(C)C(=O)C 1458a_100000070787_200011215066 [1,1,0,0,0,0|1,0,0]=3 3484 B8R0.8 CCCCC(C)C(=O)C 1458a_100000725509_200000210301 [1,1,0,0,0,0|1,0,0]=3 3485 B8R0.8 CCCCC(C)C(=O)[13CH3] 1458a_100000725509_200025704644 [1,1,0,0,0,0|1,0,0]=3 3486 B8R0.8 CCCCC(O)C(=O)C 1458a_100000720857_200000210301 [1,1,0,0,0,0|1,0,0]=3 3487 B8R0.8 CCCCC(O)C(=O)[13CH3] 1458a_100000720857_200025704644 [1,1,0,0,0,0|1,0,0]=3 3488 B8R0.8 CCCCN(C)C(=O)C 11a_100000207549_100015343762 [1,1,0,0,0,0|1,0,0]=3 3489 B8R0.8 CCCCN(C)C(=O)C 1626a_100000207549_100015343762 [1,1,0,0,0,0|1,0,0]=3 3490 B8R0.8 CCCCN(C)C(=O)C 240690a_100000207549_100015343762 [1,1,0,0,0,0|1,0,0]=3 3491 B8R0.8 CCCCN(C)C(=O)C 527a_100000207549_100103153847 [1,1,0,0,0,0|1,0,0]=3 3492 B8R0.8 CCCNC(=O)C(=O)C 1458a_200011297150_200000210301 [1,1,0,0,0,0|2,0,0]=4 3493 B8R0.8 CCCNC(=O)C(=O)[13CH3] 1458a_200011297150_200025704644 [1,1,0,0,0,0|2,0,0]=4 3494 B8R0.8 CCCOC(C)C(=O)C 34a_100000212229_100000210303 [1,1,0,0,0,0|2,0,0]=4 3495 B8R0.8 CCCSC(C)C(=O)C 62a_100000210303_100009814033 [1,1,0,0,0,0|2,0,0]=4 3496 B8R0.8 CCCSC(C)C(=O)C 62a_100009814033_100000210303 [1,1,0,0,0,0|2,0,0]=4 3497 B8R0.8 CCOCC(=O)C(=O)C 34a_100121572206_100011261029 [1,1,0,0,0,0|2,0,0]=4 3498 B8R0.8 CCOCC(C)C(=O)C 34a_100000032740_100000210202 [1,1,0,0,0,0|2,0,0]=4 3499 B8R0.8 CCOCC(C)C(=O)C 7a_100000032740_100000210202 [1,1,0,0,0,0|2,0,0]=4 3500 B8R0.8 CCSCC(=O)C(=O)C 62a_100000210202_100011261029 [1,1,0,0,0,0|2,0,0]=4 3501 B8R0.8 CCSCC(=O)C(=O)C 62a_100011261029_100000210202 [1,1,0,0,0,0|2,0,0]=4 3502 B8R0.8 COCCN(C)C(=O)C 11a_100000743101_100015343762 [1,1,0,0,0,0|1,1,0]=4 3503 B8R0.8 COCCN(C)C(=O)C 1626a_100000743101_100015343762 [1,1,0,0,0,0|1,1,0]=4 3504 B8R0.8 COCCN(C)C(=O)C 240690a_100000743101_100015343762 [1,1,0,0,0,0|1,1,0]=4 3505 B8R0.8 COCCN(C)C(=O)C 527a_100000743101_100103153847 [1,1,0,0,0,0|1,1,0]=4 3506 B8R0.8 COCSC(C)C(=O)C 62a_100000766300_100009814033 [1,1,0,0,0,0|1,1,0]=4 3507 B8R0.8 COCSC(C)C(=O)C 62a_100009814033_100000766300 [1,1,0,0,0,0|1,1,0]=4 3508 B8R0.8 CSCCC(C)N(C)C 270004a_100102631434_100011217047 [1,1,0,0,0,0|2,0,0]=4 3509 B8R0.8 CSCCC(O)C(=O)C 1458a_100000685904_200000210301 [1,1,0,0,0,0|0,0,0]=2 3510 B8R0.8 CSCCC(O)C(=O)[13CH3] 1458a_100000685904_200025704644 [1,1,0,0,0,0|0,0,0]=2 3511 B8R0.8 CSCCN(C)C(=O)C 11a_100000686725_100015343762 [1,1,0,0,0,0|1,0,0]=3 3512 B8R0.8 CSCCN(C)C(=O)C 1626a_100000686725_100015343762 [1,1,0,0,0,0|1,0,0]=3 3513 B8R0.8 CSCCN(C)C(=O)C 240690a_100000686725_100015343762 [1,1,0,0,0,0|1,0,0]=3 3514 B8R0.8 CSCCN(C)C(=O)C 527a_100000686725_100103153847 [1,1,0,0,0,0|1,0,0]=3 3515 B8R0.8 CSCN[C@@H](C)C(=O)O 269956a_100000743915_100011218213 [1,1,0,0,0,0|2,0,0]=4 3516 B8R0.8 CSCN[C@H](C)C(=O)N 2230a_100000119354_100011218213 [1,1,0,0,0,0|2,0,0]=4 3517 B8R0.8 CSCN[C@H](C)C(=O)N 34a_100000119354_100011218213 [1,1,0,0,0,0|2,0,0]=4 3518 B8R0.8 CSCOC(C)C(=O)C 34a_100000212229_100011218213 [1,1,0,0,0,0|1,0,0]=3 3519 B8R0.8 CSCO[C@H](C)C(=O)N 34a_100000731257_100011218213 [1,1,0,0,0,0|2,0,0]=4 3520 B8R0.8 CSCSC(C)C(=O)C 62a_100009814033_100011218213 [1,1,0,0,0,0|1,0,0]=3 3521 B8R0.8 CSCSC(C)C(=O)C 62a_100011218213_100009814033 [1,1,0,0,0,0|1,0,0]=3 3522 B8R0.8 CSCSC(C)C(=O)N 62a_100000702099_100011218213 [1,1,0,0,0,0|2,0,0]=4 3523 B8R0.8 CSCSC(C)C(=O)N 62a_100011218213_100000702099 [1,1,0,0,0,0|2,0,0]=4 3524 B8R0.8 CSCSC(F)C(=O)N 62a_100009813875_100011218213 [1,1,0,0,0,0|2,0,0]=4 3525 B8R0.8 CSCSC(F)C(=O)N 62a_100011218213_100009813875 [1,1,0,0,0,0|2,0,0]=4 3526 B8R0.8 CSCSC(F)C(=O)[O-] 62a_100011218213_100020610796 [1,1,0,0,0,0|2,0,0]=4 3527 B8R0.8 CSCSC(F)C(=O)[O-] 62a_100020610796_100011218213 [1,1,0,0,0,0|2,0,0]=4 3528 B8R0.9 C=C(C)CCC(C)NC 270004a_106832991635_100011215600 [1,1,0,0,0,0|2,0,0]=4 3529 B8R0.9 CC(=O)NCC(C)CO 240690a_100000744482_100015343762 [1,1,0,0,0,0|1,1,0]=4 3530 B8R0.9 CC(=O)NCC(C)CO 527a_100000744482_100103153847 [1,1,0,0,0,0|1,1,0]=4 3531 B8R0.9 CC(=O)NC[C@@H](F)CO 240690a_100015665980_100015343762 [1,1,0,0,0,0|1,1,0]=4 3532 B8R0.9 CC(=O)NC[C@@H](F)CO 527a_100015665980_100103153847 [1,1,0,0,0,0|1,1,0]=4 3533 B8R0.9 CC(=O)NC[C@H](O)CO 240690a_100020644852_100015343762 [1,1,0,0,0,0|1,1,0]=4 3534 B8R0.9 CC(=O)NC[C@H](O)CO 527a_100020644852_100103153847 [1,1,0,0,0,0|1,1,0]=4 3535 B8R0.9 CC(=O)OCC(=O)CF 1458a_100000183556_100015361967 [1,1,0,0,0,0|1,0,1]=4 3536 B8R0.9 CC(C)CCC(C)S[13CH3] 62a_100011261404_200025704644 [1,1,0,0,0,0|1,0,1]=4 3537 B8R0.9 CC(C)CCC(C)S[13CH3] 62a_200025704644_100011261404 [1,1,0,0,0,0|1,0,1]=4 3538 B8R0.9 CCC(=O)CNC(=O)C 1458a_100000194580_100000210202 [1,1,0,0,0,0|1,0,1]=4 3539 B8R0.9 CCC(=O)COC(=O)C 1458a_100000183556_100000210202 [1,1,0,0,0,0|0,0,1]=3 3540 B8R0.9 CCC(=O)CSC(=O)C 1458a_100000049016_100000210202 [1,1,0,0,0,0|0,1,1]=4 3541 B8R0.9 CCC(C)CCC(=O)C 1458a_100000701222_200000210301 [1,1,0,0,0,0|1,0,0]=3 3542 B8R0.9 CCC(C)CCC(=O)[13CH3] 1458a_100000701222_200025704644 [1,1,0,0,0,0|1,0,0]=3 3543 B8R0.9 CCC(C)CNC(=O)C 11a_100020588543_100015343762 [1,1,0,0,0,0|1,0,0]=3 3544 B8R0.9 CCC(C)CNC(=O)C 1626a_100020588543_100015343762 [1,1,0,0,0,0|1,0,0]=3 3545 B8R0.9 CCC(C)CNC(=O)C 240690a_100020588543_100015343762 [1,1,0,0,0,0|1,0,0]=3 3546 B8R0.9 CCC(C)CNC(=O)C 527a_100020588543_100103153847 [1,1,0,0,0,0|1,0,0]=3 3547 B8R0.9 CCC(C)COC(C)C 34a_100000212225_100000748023 [1,1,0,0,0,0|1,0,1]=4 3548 B8R0.9 CCC(C)NNC(=O)C 22a_100000718999_100000070787 [1,1,0,0,0,0|2,0,0]=4 3549 B8R0.9 CCC(C)OCC(=O)C 34a_100000211253_100011215416 [1,1,0,0,0,0|2,0,0]=4 3550 B8R0.9 CCC(O)CNC(=O)C 11a_100011218483_100015343762 [1,1,0,0,0,0|1,0,0]=3 3551 B8R0.9 CCC(O)CNC(=O)C 240690a_100011218483_100015343762 [1,1,0,0,0,0|1,0,0]=3 3552 B8R0.9 CCC(O)CNC(=O)C 527a_100011218483_100103153847 [1,1,0,0,0,0|1,0,0]=3 3553 B8R0.9 CCC(O)COC(C)C 34a_100000212225_100011218378 [1,1,0,0,0,0|1,0,1]=4 3554 B8R0.9 CCN(C)CCC(=O)C 1458a_100000755305_200000210301 [1,1,0,0,0,0|2,0,0]=4 3555 B8R0.9 CCN(C)CCC(=O)C 269982a_100000225621_100000053229 [1,1,0,0,0,0|2,0,0]=4 3556 B8R0.9 CCN(C)CCC(=O)[13CH3] 1458a_100000755305_200025704644 [1,1,0,0,0,0|2,0,0]=4 3557 B8R0.9 CCN(C)COC(=O)C 269982a_100000225621_100000076356 [1,1,0,0,0,0|1,0,0]=3 3558 B8R0.9 CCS(=O)CCC(=O)C 1458a_100011387550_200000210301 [1,1,0,0,0,0|2,0,0]=4 3559 B8R0.9 CCS(=O)CCC(=O)[13CH3] 1458a_100011387550_200025704644 [1,1,0,0,0,0|2,0,0]=4 3560 B8R0.9 CC[C@H](C)COC(C)C 34a_100000212225_100009816398 [1,1,0,0,0,0|1,0,1]=4 3561 B8R0.9 CC[C@H](C)COC(C)C 7a_100009816381_100000210206 [1,1,0,0,0,0|1,0,1]=4 3562 B8R0.9 CNC(=O)CCC(=O)C 1458a_100011309844_200000210301 [1,1,0,0,0,0|1,0,1]=4 3563 B8R0.9 CNC(=O)CCC(=O)[13CH3] 1458a_100011309844_200025704644 [1,1,0,0,0,0|1,0,1]=4 3564 B8R0.9 CNC(=O)COC(=O)C 1626a_100102657272_100000183556 [1,1,0,0,0,0|1,0,1]=4 3565 B8R0.9 CNC(=O)COC(=O)C 240690a_100102657272_100000183556 [1,1,0,0,0,0|1,0,1]=4 3566 B8R0.9 CNC(=O)COC(=O)C 527a_100102657272_100000183556 [1,1,0,0,0,0|1,0,1]=4 3567 B8R0.9 CNC(C)COC(=O)C 270004a_106832991635_100000000629 [1,1,0,0,0,0|1,0,0]=3 3568 B8R0.9 COC(=O)CCC(=O)C 1458a_100000187943_200000210301 [1,1,0,0,0,0|0,1,1]=4 3569 B8R0.9 COC(=O)CCC(=O)[13CH3] 1458a_100000187943_200025704644 [1,1,0,0,0,0|0,1,1]=4 3570 B8R0.9 CO[C@H](C)CNC(=O)C 11a_100020591295_100015343762 [1,1,0,0,0,0|1,1,0]=4 3571 B8R0.9 CO[C@H](C)CNC(=O)C 1626a_100020591295_100015343762 [1,1,0,0,0,0|1,1,0]=4 3572 B8R0.9 CO[C@H](C)CNC(=O)C 240690a_100020591295_100015343762 [1,1,0,0,0,0|1,1,0]=4 3573 B8R0.9 CO[C@H](C)CNC(=O)C 527a_100020591295_100103153847 [1,1,0,0,0,0|1,1,0]=4 3574 B8R0.9 CSC(C)CCC(C)C 62a_100011261404_200000210301 [1,1,0,0,0,0|1,0,1]=4 3575 B8R0.9 CSC(C)CCC(C)C 62a_200000210301_100011261404 [1,1,0,0,0,0|1,0,1]=4 3576 B8R0.21 CC(C)(O)CCCS[13CH3] 62a_100009888830_200025704644 [1,1,0,0,0,0|0,0,2]=4 3577 B8R0.21 CC(C)(O)CCCS[13CH3] 62a_200025704644_100009888830 [1,1,0,0,0,0|0,0,2]=4 3578 B8R0.21 CCCCNS(=O)(=O)C 40a_100000102301_100000738038 [1,1,0,0,0,0|2,0,0]=4 3579 B8R0.21 CCCCOC(C)(C)C 34a_100000210227_100000210625 [1,1,0,0,0,0|1,0,1]=4 3580 B8R0.21 CCCCOC(C)(C)C 34a_100015890283_100000210210 [1,1,0,0,0,0|1,0,1]=4 3581 B8R0.21 CCCCOC(C)(C)C 7a_100015890283_100000210211 [1,1,0,0,0,0|1,0,1]=4 3582 B8R0.21 CNCCCS(=O)(=O)C 2230a_100000742409_200000210301 [1,1,0,0,0,0|2,0,0]=4 3583 B8R0.21 CNCCCS(=O)(=O)C 2230a_106832991635_100000754308 [1,1,0,0,0,0|2,0,0]=4 3584 B8R0.21 CNCCCS(=O)(=O)C 34a_100000742409_200000210301 [1,1,0,0,0,0|2,0,0]=4 3585 B8R0.21 CNCCCS(=O)(=O)C 34a_100102657272_100000754308 [1,1,0,0,0,0|2,0,0]=4 3586 B8R0.21 CNCCCS(=O)(=O)C 7a_106832991635_100000754308 [1,1,0,0,0,0|2,0,0]=4 3587 B8R0.21 CNCCOS(=O)(=O)C 2230a_106832991635_200000036756 [1,1,0,0,0,0|2,0,0]=4 3588 B8R0.21 CNCCOS(=O)(=O)C 34a_100102657272_200000036756 [1,1,0,0,0,0|2,0,0]=4 3589 B8R0.21 CNCCOS(=O)(=O)C 7a_106832991635_200000036756 [1,1,0,0,0,0|2,0,0]=4 3590 B8R0.21 COCCCS(=O)(=O)C 34a_100000689940_200000210301 [1,1,0,0,0,0|1,1,0]=4 3591 B8R0.21 COCCCS(=O)(=O)C 34a_100138415774_100000754308 [1,1,0,0,0,0|1,1,0]=4 3592 B8R0.21 COCCCS(=O)(=O)C 7a_100000689940_200000210301 [1,1,0,0,0,0|1,1,0]=4 3593 B8R0.21 COCCOS(=O)(=O)C 34a_100138415774_200000036756 [1,1,0,0,0,0|1,1,0]=4 3594 B8R0.21 CS(=O)(=O)CCCN[13CH3] 2230a_100000742409_200025704644 [1,1,0,0,0,0|2,0,0]=4 3595 B8R0.21 CS(=O)(=O)CCCN[13CH3] 34a_100000742409_200025704644 [1,1,0,0,0,0|2,0,0]=4 3596 B8R0.21 CS(=O)(=O)CCCO[13CH3] 34a_100000689940_200025704644 [1,1,0,0,0,0|1,1,0]=4 3597 B8R0.21 CS(=O)(=O)CCCO[13CH3] 7a_100000689940_200025704644 [1,1,0,0,0,0|1,1,0]=4 3598 B8R0.21 CS(=O)(=O)CCCS[13CH3] 62a_100000754308_200025704644 [1,1,0,0,0,0|1,0,0]=3 3599 B8R0.21 CS(=O)(=O)CCCS[13CH3] 62a_200025704644_100000754308 [1,1,0,0,0,0|1,0,0]=3 3600 B8R0.21 CS(=O)(=O)NCCS[13CH3] 62a_100000754112_200025704644 [1,1,0,0,0,0|2,0,0]=4 3601 B8R0.21 CS(=O)(=O)NCCS[13CH3] 62a_200025704644_100000754112 [1,1,0,0,0,0|2,0,0]=4 3602 B8R0.21 CS(=O)(=O)OCCS[13CH3] 62a_200000036756_200025704644 [1,1,0,0,0,0|1,0,0]=3 3603 B8R0.21 CS(=O)(=O)OCCS[13CH3] 62a_200025704644_200000036756 [1,1,0,0,0,0|1,0,0]=3 3604 B8R0.21 CSCCCC(C)(C)O 62a_100009888830_200000210301 [1,1,0,0,0,0|0,0,2]=4 3605 B8R0.21 CSCCCC(C)(C)O 62a_200000210301_100009888830 [1,1,0,0,0,0|0,0,2]=4 3606 B8R0.21 CSCCCS(=O)(=O)C 62a_100000754308_200000210301 [1,1,0,0,0,0|1,0,0]=3 3607 B8R0.21 CSCCCS(=O)(=O)C 62a_200000210301_100000754308 [1,1,0,0,0,0|1,0,0]=3 3608 B8R0.21 CSCCCS(=O)(=O)N 62a_100000750626_200000210301 [1,1,0,0,0,0|2,0,0]=4 3609 B8R0.21 CSCCCS(=O)(=O)N 62a_200000210301_100000750626 [1,1,0,0,0,0|2,0,0]=4 3610 B8R0.21 CSCCCS(=O)(=O)[O-] 62a_100009813499_200000210301 [1,1,0,0,0,0|2,0,0]=4 3611 B8R0.21 CSCCCS(=O)(=O)[O-] 62a_200000210301_100009813499 [1,1,0,0,0,0|2,0,0]=4 3612 B8R0.21 CSCCC[N+](C)(C)C 62a_100016990835_200000210301 [1,1,0,0,0,0|2,0,0]=4 3613 B8R0.21 CSCCC[N+](C)(C)C 62a_200000210301_100016990835 [1,1,0,0,0,0|2,0,0]=4 3614 B8R0.21 CSCCC[Si](C)(C)C 62a_100011219597_200000210301 [1,1,0,0,0,0|1,1,0]=4 3615 B8R0.21 CSCCC[Si](C)(C)C 62a_200000210301_100011219597 [1,1,0,0,0,0|1,1,0]=4 3616 B8R0.21 CSCCNS(=O)(=O)C 40a_100020590264_100000738038 [1,1,0,0,0,0|2,0,0]=4 3617 B8R0.21 CSCCNS(=O)(=O)C 62a_100000754112_200000210301 [1,1,0,0,0,0|2,0,0]=4 3618 B8R0.21 CSCCNS(=O)(=O)C 62a_200000210301_100000754112 [1,1,0,0,0,0|2,0,0]=4 3619 B8R0.21 CSCCOC(C)(C)C 34a_100000230434_100000210625 [1,1,0,0,0,0|1,0,1]=4 3620 B8R0.21 CSCCOC(C)(C)C 34a_100015890283_100000212216 [1,1,0,0,0,0|1,0,1]=4 3621 B8R0.21 CSCCOC(C)(C)C 7a_100015890283_100000212216 [1,1,0,0,0,0|1,0,1]=4 3622 B8R0.21 CSCCOS(=O)(=O)C 62a_200000036756_200000210301 [1,1,0,0,0,0|1,0,0]=3 3623 B8R0.21 CSCCOS(=O)(=O)C 62a_200000210301_200000036756 [1,1,0,0,0,0|1,0,0]=3 3624 B8R0.21 CSCCO[Si](C)(C)C 62a_200000032530_200000210301 [1,1,0,0,0,0|1,1,0]=4 3625 B8R0.21 CSCCO[Si](C)(C)C 62a_200000210301_200000032530 [1,1,0,0,0,0|1,1,0]=4 3626 B8R0.21 C[N+](C)(C)CCCS[13CH3] 62a_100016990835_200025704644 [1,1,0,0,0,0|2,0,0]=4 3627 B8R0.21 C[N+](C)(C)CCCS[13CH3] 62a_200025704644_100016990835 [1,1,0,0,0,0|2,0,0]=4 3628 B8R0.21 C[Si](C)(C)CCCS[13CH3] 62a_100011219597_200025704644 [1,1,0,0,0,0|1,1,0]=4 3629 B8R0.21 C[Si](C)(C)CCCS[13CH3] 62a_200025704644_100011219597 [1,1,0,0,0,0|1,1,0]=4 3630 B8R0.21 C[Si](C)(C)OCCS[13CH3] 62a_200000032530_200025704644 [1,1,0,0,0,0|1,1,0]=4 3631 B8R0.21 C[Si](C)(C)OCCS[13CH3] 62a_200025704644_200000032530 [1,1,0,0,0,0|1,1,0]=4 3632 B8R0.21 [13CH3]SCCCS(=O)(=O)N 62a_100000750626_200025704644 [1,1,0,0,0,0|2,0,0]=4 3633 B8R0.21 [13CH3]SCCCS(=O)(=O)N 62a_200025704644_100000750626 [1,1,0,0,0,0|2,0,0]=4 3634 B8R0.21 [13CH3]SCCCS(=O)(=O)[O-] 62a_100009813499_200025704644 [1,1,0,0,0,0|2,0,0]=4 3635 B8R0.21 [13CH3]SCCCS(=O)(=O)[O-] 62a_200025704644_100009813499 [1,1,0,0,0,0|2,0,0]=4 3636 B8R0.28 C=C(C)COCC(=O)C 34a_100000211253_100000748629 [1,1,0,0,0,0|2,0,0]=4 3637 B8R0.28 CC(=O)CCC=C(C)C 1458a_100000070787_100011217483 [1,1,0,0,0,0|1,0,1]=4 3638 B8R0.28 CC(=O)CCCC(=O)C 1458a_100000070787_100011215641 [1,1,0,0,0,0|1,0,0]=3 3639 B8R0.28 CC(=O)CCCC(=O)N 1458a_100000070787_100102525003 [1,1,0,0,0,0|2,0,0]=4 3640 B8R0.28 CC(=O)CCCC(C)C 1458a_100000070787_100011214892 [1,1,0,0,0,0|1,0,0]=3 3641 B8R0.28 CC(=O)CCCC(C)C 1458a_100011216857_200000210301 [1,1,0,0,0,0|1,0,0]=3 3642 B8R0.28 CC(=O)CCCC(C)O 1458a_100000070787_200000718107 [1,1,0,0,0,0|1,0,0]=3 3643 B8R0.28 CC(=O)CCCN(C)C 1458a_100000070787_100000695564 [1,1,0,0,0,0|1,0,0]=3 3644 B8R0.28 CC(=O)CCCN(C)C 269982a_100102631434_100011215641 [1,1,0,0,0,0|1,0,0]=3 3645 B8R0.28 CC(=O)CCC[N+](=O)[O-] 1458a_100016109205_200000210301 [1,1,0,0,0,0|2,0,0]=4 3646 B8R0.28 CC(=O)CCNC(=O)C 1458a_100000070787_100000189650 [1,1,0,0,0,0|1,0,1]=4 3647 B8R0.28 CC(=O)CCNC(=O)C 1458a_100000183196_200000210301 [1,1,0,0,0,0|1,0,1]=4 3648 B8R0.28 CC(=O)CCOC(=O)C 1458a_100000070787_100009814007 [1,1,0,0,0,0|0,0,1]=3 3649 B8R0.28 CC(=O)CCOC(=O)N 1458a_100000070787_200011214921 [1,1,0,0,0,0|1,0,1]=4 3650 B8R0.28 CC(=O)CCOC(C)C 1458a_100000070787_100000211751 [1,1,0,0,0,0|2,0,0]=4 3651 B8R0.28 CC(=O)CCOC(C)C 34a_100000759926_100000210206 [1,1,0,0,0,0|2,0,0]=4 3652 B8R0.28 CC(=O)CCOC(C)C 7a_100000759926_100000210206 [1,1,0,0,0,0|2,0,0]=4 3653 B8R0.28 CC(=O)CCSC(=O)C 1458a_100000048949_200000210301 [1,1,0,0,0,0|0,1,1]=4 3654 B8R0.28 CC(=O)CCSC(C)C 1458a_100000070787_100000730970 [1,1,0,0,0,0|2,0,0]=4 3655 B8R0.28 CC(=O)CCSC(C)C 62a_100000053229_100000210206 [1,1,0,0,0,0|2,0,0]=4 3656 B8R0.28 CC(=O)CCSC(C)C 62a_100000210206_100000053229 [1,1,0,0,0,0|2,0,0]=4 3657 B8R0.28 CC(=O)COCC(C)C 1458a_100011223364_200000210301 [1,1,0,0,0,0|2,0,0]=4 3658 B8R0.28 CC(=O)COCC(C)C 34a_100000211253_100000210624 [1,1,0,0,0,0|2,0,0]=4 3659 B8R0.28 CC(=O)COCC(C)O 34a_100000211253_100011218427 [1,1,0,0,0,0|2,0,0]=4 3660 B8R0.28 CC(=O)COC[C@@H](C)O 34a_100000211253_100009817552 [1,1,0,0,0,0|2,0,0]=4 3661 B8R0.28 CC(=O)NCCC(=O)[13CH3] 1458a_100000183196_200025704644 [1,1,0,0,0,0|1,0,1]=4 3662 B8R0.28 CC(=O)NCCC(C)C 11a_100000210545_100015343762 [1,1,0,0,0,0|1,0,0]=3 3663 B8R0.28 CC(=O)NCCC(C)C 1626a_100000210545_100015343762 [1,1,0,0,0,0|1,0,0]=3 3664 B8R0.28 CC(=O)NCCC(C)C 240690a_100000210545_100015343762 [1,1,0,0,0,0|1,0,0]=3 3665 B8R0.28 CC(=O)NCCC(C)C 527a_100000210545_100103153847 [1,1,0,0,0,0|1,0,0]=3 3666 B8R0.28 CC(=O)NCCC(C)O 240690a_200000755665_100015343762 [1,1,0,0,0,0|1,0,0]=3 3667 B8R0.28 CC(=O)NCCC(C)O 527a_200000755665_100103153847 [1,1,0,0,0,0|1,0,0]=3 3668 B8R0.28 CC(=O)NCCN(C)C 2230a_100102631434_100000189650 [1,1,0,0,0,0|2,0,0]=4 3669 B8R0.28 CC(=O)NCCN(C)C 240690a_100000210585_100015343762 [1,1,0,0,0,0|2,0,0]=4 3670 B8R0.28 CC(=O)NCCN(C)C 269982a_100102631434_100000189650 [1,1,0,0,0,0|2,0,0]=4 3671 B8R0.28 CC(=O)NCCN(C)C 527a_100000210585_100103153847 [1,1,0,0,0,0|2,0,0]=4 3672 B8R0.28 CC(=O)NNCC(C)C 22a_100000696102_100000070787 [1,1,0,0,0,0|2,0,0]=4 3673 B8R0.28 CC(=O)NNCC(C)O 22a_200000730056_100000070787 [1,1,0,0,0,0|2,0,0]=4 3674 B8R0.28 CC(=O)OCCN(C)C 269982a_100102631434_100009814007 [1,1,0,0,0,0|1,0,0]=3 3675 B8R0.28 CC(=O)OCNC(C)C 34a_100138425928_100009813279 [1,1,0,0,0,0|1,0,0]=3 3676 B8R0.28 CC(=O)OCOC(C)C 34a_100000212225_100009813279 [1,1,0,0,0,0|1,0,0]=3 3677 B8R0.28 CC(=O)OCSC(C)C 62a_100000076356_100000210206 [1,1,0,0,0,0|1,0,0]=3 3678 B8R0.28 CC(=O)OCSC(C)C 62a_100000210206_100000076356 [1,1,0,0,0,0|1,0,0]=3 3679 B8R0.28 CC(=O)SCCC(=O)[13CH3] 1458a_100000048949_200025704644 [1,1,0,0,0,0|0,1,1]=4 3680 B8R0.28 CC(Br)CCOC(C)C 34a_100009893172_100000210206 [1,1,0,0,0,0|1,0,1]=4 3681 B8R0.28 CC(C)CCCC(=O)[13CH3] 1458a_100011216857_200025704644 [1,1,0,0,0,0|1,0,0]=3 3682 B8R0.28 CC(C)CCOC(C)C 34a_100000210254_100000210206 [1,1,0,0,0,0|1,0,1]=4 3683 B8R0.28 CC(C)CCOC(C)C 34a_100000212225_100000210312 [1,1,0,0,0,0|1,0,1]=4 3684 B8R0.28 CC(C)CCOC(C)C 7a_100000210254_100000210206 [1,1,0,0,0,0|1,0,1]=4 3685 B8R0.28 CC(C)COCC(=O)[13CH3] 1458a_100011223364_200025704644 [1,1,0,0,0,0|2,0,0]=4 3686 B8R0.28 CC(C)OCC[C@@H](C)N 34a_100000706166_100000210206 [1,1,0,0,0,0|1,0,1]=4 3687 B8R0.28 CC(O)CCOC(C)C 34a_100000212225_100012276601 [1,1,0,0,0,0|1,0,1]=4 3688 B8R0.28 CN(C)CCCC(=O)N 269982a_100102631434_100102525003 [1,1,0,0,0,0|2,0,0]=4 3689 B8R0.28 CN(C)CCCC(=O)O 269956a_100000719178_200000210301 [1,1,0,0,0,0|2,0,0]=4 3690 B8R0.28 CN(C)CCOC(=O)N 269982a_100102631434_200011214921 [1,1,0,0,0,0|2,0,0]=4 3691 B8R0.28 CN([13CH3])CCCC(=O)O 269956a_100000719178_200025704644 [1,1,0,0,0,0|2,0,0]=4 3692 B8R0.28 [13CH3]C(=O)CCC[N+](=O)[O-] 1458a_100016109205_200025704644 [1,1,0,0,0,0|2,0,0]=4 3693 B10R0.3 C#CCC(=O)CCOC(=O)C 1458a_100011220946_100009814007 [0,2,0,0,0,0|1,0,1]=4 3694 B10R0.3 C#CCC(C)OCOC(=O)C 34a_100000685586_100009813279 [0,2,0,0,0,0|1,0,1]=4 3695 B10R0.3 C#CCN(C)CCOC(=O)C 34a_100000225692_100009814007 [0,2,0,0,0,0|1,0,1]=4 3696 B10R0.3 C/C=C/C(C)OCOC(=O)C 34a_200102604097_100009813279 [0,2,0,0,0,0|1,0,1]=4 3697 B10R0.3 C=C(C)COCC(C)CCC 34a_100000210245_100011216630 [0,2,0,0,0,0|2,0,0]=4 3698 B10R0.3 C=C(C)COCC(C)CCC 34a_100000688023_100000748629 [0,2,0,0,0,0|2,0,0]=4 3699 B10R0.3 C=C(C)COCC(C)CCC 7a_100000688023_100000748629 [0,2,0,0,0,0|2,0,0]=4 3700 B10R0.3 C=C(C)COCC(N)COC 34a_100000724102_100000748629 [0,2,0,0,0,0|1,1,0]=4 3701 B10R0.3 C=C(C)COCC(O)COC 34a_100000210245_100011215053 [0,2,0,0,0,0|1,1,0]=4 3702 B10R0.3 C=C(C)COC[C@@H](N)CCC 34a_100000732646_100000748629 [0,2,0,0,0,0|2,0,0]=4 3703 B10R0.3 C=CCC(=O)CCOC(=O)C 1458a_100000210193_100009814007 [0,2,0,0,0,0|1,0,1]=4 3704 B10R0.3 C=CCN(C)CCOC(=O)C 269982a_100000225617_100009814007 [0,2,0,0,0,0|1,0,1]=4 3705 B10R0.3 C=CC[C@@H](C)OCOC(=O)C 34a_100000731007_100009813279 [0,2,0,0,0,0|1,0,1]=4 3706 B10R0.3 CC#CC(=O)CCOC(=O)C 1458a_100000763181_100009814007 [0,2,0,0,0,0|1,0,1]=4 3707 B10R0.3 CC#CC(C)OCOC(=O)C 34a_100011216543_100009813279 [0,2,0,0,0,0|1,0,1]=4 3708 B10R0.3 CC(=O)OCCC(=O)CC#N 1458a_100051588842_100009814007 [0,2,0,0,0,0|2,0,0]=4 3709 B10R0.3 CC(=O)OCCC(=O)CCO 1458a_100011216618_100009814007 [0,2,0,0,0,0|1,0,1]=4 3710 B10R0.3 CC(=O)OCCN(C)CCO 269982a_100000210263_100009814007 [0,2,0,0,0,0|2,0,0]=4 3711 B10R0.3 CC(=O)OCN[C@H](C)CCO 34a_100000706166_100009813279 [0,2,0,0,0,0|2,0,0]=4 3712 B10R0.3 CC(=O)OCOC(C)CCBr 34a_100012276601_100009813279 [0,2,0,0,0,0|2,0,0]=4 3713 B10R0.3 CC(=O)OCSC(C)CC#N 62a_100000076356_100009813641 [0,2,0,0,0,0|2,0,0]=4 3714 B10R0.3 CC(=O)OCSC(C)CC#N 62a_100009813641_100000076356 [0,2,0,0,0,0|2,0,0]=4 3715 B10R0.3 CC(=O)OCSC(C)CCO 62a_100000076356_100009893172 [0,2,0,0,0,0|2,0,0]=4 3716 B10R0.3 CC(=O)OCSC(C)CCO 62a_100009893172_100000076356 [0,2,0,0,0,0|2,0,0]=4 3717 B10R0.3 CC=CC(=O)CCOC(=O)C 1458a_100000210699_100009814007 [0,2,0,0,0,0|1,0,1]=4 3718 B10R0.3 CCCC(=O)CCCC(=O)C 1458a_100000211992_100011215641 [0,2,0,0,0,0|2,0,0]=4 3719 B10R0.3 CCCC(=O)CCNC(=O)C 1458a_100000183196_100000210303 [0,2,0,0,0,0|2,0,0]=4 3720 B10R0.3 CCCC(=O)CCNC(=O)C 1458a_100000211992_100000189650 [0,2,0,0,0,0|2,0,0]=4 3721 B10R0.3 CCCC(=O)CCOC(=O)C 1458a_100000211992_100009814007 [0,2,0,0,0,0|1,0,0]=3 3722 B10R0.3 CCCC(=O)CCOC(=O)N 1458a_100000211992_200011214921 [0,2,0,0,0,0|2,0,0]=4 3723 B10R0.3 CCCC(=O)CCSC(=O)C 1458a_100000048949_100000210303 [0,2,0,0,0,0|1,1,0]=4 3724 B10R0.3 CCCC(C)COCC(=O)C 34a_100000211253_100011216630 [0,2,0,0,0,0|1,0,0]=3 3725 B10R0.3 CCCC(C)COCC(=O)N 34a_100000688023_100000187820 [0,2,0,0,0,0|2,0,0]=4 3726 B10R0.3 CCCC(C)COCC(=O)N 7a_100000688023_100000187820 [0,2,0,0,0,0|2,0,0]=4 3727 B10R0.3 CCCC(C)COCC(=O)[O-] 34a_100000688023_100020667443 [0,2,0,0,0,0|2,0,0]=4 3728 B10R0.3 CCCC(C)OCCC(=O)C 34a_100000759926_100000766640 [0,2,0,0,0,0|2,0,0]=4 3729 B10R0.3 CCCC(C)OCCC(=O)C 7a_100000759926_100000766640 [0,2,0,0,0,0|2,0,0]=4 3730 B10R0.3 CCCC(C)OCCC(=O)C 7a_100000764384_100000053229 [0,2,0,0,0,0|2,0,0]=4 3731 B10R0.3 CCCC(C)OCOC(=O)C 34a_100000764384_100009813279 [0,2,0,0,0,0|1,0,0]=3 3732 B10R0.3 CCCC(C)SCCC(=O)C 62a_100000053229_100000766640 [0,2,0,0,0,0|2,0,0]=4 3733 B10R0.3 CCCC(C)SCCC(=O)C 62a_100000766640_100000053229 [0,2,0,0,0,0|2,0,0]=4 3734 B10R0.3 CCCC(C)SCOC(=O)C 62a_100000076356_100000766640 [0,2,0,0,0,0|1,0,0]=3 3735 B10R0.3 CCCC(C)SCOC(=O)C 62a_100000766640_100000076356 [0,2,0,0,0,0|1,0,0]=3 3736 B10R0.3 CCCN(C)CCCC(=O)C 269982a_100000747261_100011215641 [0,2,0,0,0,0|2,0,0]=4 3737 B10R0.3 CCCN(C)CCNC(=O)C 2230a_100000747261_100000189650 [0,2,0,0,0,0|2,0,0]=4 3738 B10R0.3 CCCN(C)CCNC(=O)C 269982a_100000747261_100000189650 [0,2,0,0,0,0|2,0,0]=4 3739 B10R0.3 CCCN(C)CCOC(=O)C 269982a_100000747261_100009814007 [0,2,0,0,0,0|1,0,0]=3 3740 B10R0.3 CCCN(C)CCOC(=O)N 269982a_100000747261_200011214921 [0,2,0,0,0,0|2,0,0]=4 3741 B10R0.3 CCC[C@H](N)COCC(=O)N 34a_100000732646_100000187820 [0,2,0,0,0,0|2,0,0]=4 3742 B10R0.3 CCC[C@H](N)COCC(=O)[O-] 34a_100000732646_100020667443 [0,2,0,0,0,0|2,0,0]=4 3743 B10R0.3 COCC(=O)CCCC(=O)C 1458a_100000210968_100011215641 [0,2,0,0,0,0|1,1,0]=4 3744 B10R0.3 COCC(=O)CCNC(=O)C 1458a_100000210968_100000189650 [0,2,0,0,0,0|1,1,0]=4 3745 B10R0.3 COCC(=O)CCOC(=O)C 1458a_100000210968_100009814007 [0,2,0,0,0,0|0,1,0]=3 3746 B10R0.3 COCC(=O)CCOC(=O)N 1458a_100000210968_200011214921 [0,2,0,0,0,0|1,1,0]=4 3747 B10R0.3 COCC(C)OCCC(=O)C 34a_100000759926_100000765312 [0,2,0,0,0,0|1,1,0]=4 3748 B10R0.3 COCC(C)OCCC(=O)C 7a_100000759926_100000765312 [0,2,0,0,0,0|1,1,0]=4 3749 B10R0.3 COCC(C)SCCC(=O)C 62a_100000053229_100000765312 [0,2,0,0,0,0|1,1,0]=4 3750 B10R0.3 COCC(C)SCCC(=O)C 62a_100000765312_100000053229 [0,2,0,0,0,0|1,1,0]=4 3751 B10R0.3 COCC(C)SCOC(=O)C 62a_100000076356_100000765312 [0,2,0,0,0,0|0,1,0]=3 3752 B10R0.3 COCC(C)SCOC(=O)C 62a_100000765312_100000076356 [0,2,0,0,0,0|0,1,0]=3 3753 B10R0.3 COCC(N)COCC(=O)N 34a_100000724102_100000187820 [0,2,0,0,0,0|1,1,0]=4 3754 B10R0.3 COCC(N)COCC(=O)[O-] 34a_100000724102_100020667443 [0,2,0,0,0,0|1,1,0]=4 3755 B10R0.3 COCC(O)COCC(=O)C 34a_100000211253_100011215053 [0,2,0,0,0,0|0,1,0]=3 3756 B10R0.3 COC[C@@H](C)OCOC(=O)C 34a_100011934205_100009813279 [0,2,0,0,0,0|0,1,0]=3 3757 B10R0.3 CSCC(=O)CCC=C(C)C 1458a_100000184570_100011217483 [0,2,0,0,0,0|2,0,0]=4 3758 B10R0.3 CSCC(=O)CCCC(=O)C 1458a_100000184570_100011215641 [0,2,0,0,0,0|1,0,0]=3 3759 B10R0.3 CSCC(=O)CCCC(=O)N 1458a_100000184570_100102525003 [0,2,0,0,0,0|2,0,0]=4 3760 B10R0.3 CSCC(=O)CCNC(=O)C 1458a_100000184570_100000189650 [0,2,0,0,0,0|1,0,0]=3 3761 B10R0.3 CSCC(=O)CCNC(=O)N 1458a_100000184570_200000034859 [0,2,0,0,0,0|2,0,0]=4 3762 B10R0.3 CSCC(=O)CCOC(=O)C 1458a_100000184570_100009814007 [0,2,0,0,0,0|0,0,0]=2 3763 B10R0.3 CSCC(=O)CCOC(=O)N 1458a_100000184570_200011214921 [0,2,0,0,0,0|1,0,0]=3 3764 B10R0.3 CSCC(=O)CCOC(C)C 1458a_100000184570_100000211751 [0,2,0,0,0,0|1,0,1]=4 3765 B10R0.3 CSCC(C)NCC=C(C)C 270004a_100000718196_100011216314 [0,2,0,0,0,0|2,0,0]=4 3766 B10R0.3 CSCC(O)CNNC(=O)C 22a_200000122717_100000070787 [0,2,0,0,0,0|1,0,0]=3 3767 B10R0.3 CSCN(C)CCCC(=O)O 269956a_100000719178_100011218213 [0,2,0,0,0,0|2,0,0]=4 3768 B10R0.44 CCC(C)CC(C)NC(=O)C 11a_100000763565_100015343762 [0,2,0,0,0,0|2,0,0]=4 3769 B10R0.44 CCC(C)CC(C)NC(=O)C 1626a_100000763565_100015343762 [0,2,0,0,0,0|2,0,0]=4 3770 B10R0.44 CCC(C)CC(C)NC(=O)C 240690a_100000763565_100015343762 [0,2,0,0,0,0|2,0,0]=4 3771 B10R0.44 CCC(C)CC(C)NC(=O)C 527a_100000763565_100103153847 [0,2,0,0,0,0|2,0,0]=4 3772 B10R0.44 CCC(C)SC(C)OC(=O)C 62a_100000758301_100009818208 [0,2,0,0,0,0|2,0,0]=4 3773 B10R0.44 CCC(C)SC(C)OC(=O)C 62a_100009818208_100000758301 [0,2,0,0,0,0|2,0,0]=4 3774 B10R0.44 COC(C)SC(C)OC(=O)C 62a_100009818208_100009879195 [0,2,0,0,0,0|1,1,0]=4 3775 B10R0.44 COC(C)SC(C)OC(=O)C 62a_100009879195_100009818208 [0,2,0,0,0,0|1,1,0]=4 3776 B10R0.57 CCC(C)C(=O)COC(=O)C 1458a_100000183556_100000758301 [0,2,0,0,0,0|1,0,1]=4 3777 B10R0.57 CCC(C)N(C)COC(=O)C 269982a_100000741768_100000076356 [0,2,0,0,0,0|2,0,0]=4 3778 B10R0.59 CCC(=O)CCOC(=O)NC 1458a_100000210414_200011997002 [0,2,0,0,0,0|1,0,1]=4 3779 B10R0.59 CCC(=O)NCCC(C)CC 11a_100020591266_100000210414 [0,2,0,0,0,0|2,0,0]=4 3780 B10R0.59 CCC(=O)NCCC(C)CC 1626a_100020591266_100000210414 [0,2,0,0,0,0|2,0,0]=4 3781 B10R0.59 CCC(=O)NCCC(C)CC 240690a_100020591266_100000210414 [0,2,0,0,0,0|2,0,0]=4 3782 B10R0.59 CCC(=O)NCCC(C)CC 527a_100020591266_100000210414 [0,2,0,0,0,0|2,0,0]=4 3783 B10R0.59 CCC(C)CCNC(=O)CO 240690a_100020591266_100000210174 [0,2,0,0,0,0|2,0,0]=4 3784 B10R0.59 CCC(C)CCNC(=O)CO 527a_100020591266_100000210174 [0,2,0,0,0,0|2,0,0]=4 3785 B10R0.59 CCC(C)CCNC(=O)NC 2708a_100020591266_106832991635 [0,2,0,0,0,0|2,0,0]=4 3786 B10R0.59 CCC(C)CCNC(=O)NC 2708a_100102657272_100020591266 [0,2,0,0,0,0|2,0,0]=4 3787 B10R0.59 CCC(C)CCNC(=O)NC 273464a_100020591266_100102657272 [0,2,0,0,0,0|2,0,0]=4 3788 B10R0.59 CCC(C)CCNC(=O)NC 273464a_100102657272_100020591266 [0,2,0,0,0,0|2,0,0]=4 3789 B10R0.59 CCC(C)CCNC(=O)NC 512a_100020591266_100102657272 [0,2,0,0,0,0|2,0,0]=4 3790 B10R0.59 CCC(C)CCNC(=O)NC 512a_106832991638_100020591266 [0,2,0,0,0,0|2,0,0]=4 3791 B10R0.59 CCC(C)SCOC(=O)OC 62a_100000758301_100000139417 [0,2,0,0,0,0|2,0,0]=4 3792 B10R0.59 CCN(C)CCOC(=O)NC 269982a_100000225621_200011997002 [0,2,0,0,0,0|2,0,0]=4 3793 B10R0.59 COC(=O)OCSC(C)OC 62a_100009879195_100000139417 [0,2,0,0,0,0|1,1,0]=4 3794 B10R0.65 CCC(C)(C)SCOC(=O)C 62a_100000032637_100000076356 [0,2,0,0,0,0|2,0,0]=4 3795 B10R0.65 CCC(C)(C)SCOC(=O)C 62a_100000076356_100000032637 [0,2,0,0,0,0|2,0,0]=4 3796 B10R0.65 CNS(=O)(=O)CCOC(=O)C 270084a_100102657272_200000119425 [0,2,0,0,0,0|2,0,0]=4 3797 B10R0.65 CNS(=O)(=O)CCOC(=O)C 274078a_100102657272_200000119425 [0,2,0,0,0,0|2,0,0]=4 3798 B10R0.77 C#CC(CC)OCOC(=O)C 34a_100000758843_100009813279 [0,2,0,0,0,0|2,0,0]=4 3799 B10R0.77 C=CC(CC)OCOC(=O)C 34a_100000766422_100009813279 [0,2,0,0,0,0|2,0,0]=4 3800 B10R0.77 CCC(CC)SCOC(=O)C 62a_100000076356_100000210505 [0,2,0,0,0,0|2,0,0]=4 3801 B10R0.77 CCC(CC)SCOC(=O)C 62a_100000210505_100000076356 [0,2,0,0,0,0|2,0,0]=4 3802 B10R0.77 CCN(CC)CCOC(=O)C 269956a_100000042499_100009814007 [0,2,0,0,0,0|2,0,0]=4 3803 B10R0.77 CCN(CC)CCOC(=O)C 269982a_100000724800_100009814007 [0,2,0,0,0,0|2,0,0]=4 3804 B10R0.77 COC(CCCC(=O)C)OC 1458a_100000070787_100000069011 [0,2,0,0,0,0|1,1,0]=4 3805 B10R0.98 C=C(C)C(=O)CCOC(=O)C 1458a_100000185857_100009814007 [0,2,0,0,0,0|1,0,1]=4 3806 B10R0.98 CC(=O)N(C)CCCN(C)C 240690a_100000225831_100015343762 [0,2,0,0,0,0|2,0,0]=4 3807 B10R0.98 CC(=O)OCCC(=O)C(C)C 1458a_100000210198_100009814007 [0,2,0,0,0,0|1,0,1]=4 3808 B10R0.98 CC(=O)OCCC(=O)C(C)F 1458a_100000062450_100009814007 [0,2,0,0,0,0|1,0,1]=4 3809 B10R0.98 CC(=O)OCCC(=O)[C@@H](C)O 1458a_100000717761_100009814007 [0,2,0,0,0,0|1,0,1]=4 3810 B10R0.98 CC(=O)OCCC(=O)[C@H](C)O 1458a_217856618621_100009814007 [0,2,0,0,0,0|1,0,1]=4 3811 B10R0.98 CC(=O)OCCN(C)C(C)C 269982a_200000211004_100009814007 [0,2,0,0,0,0|2,0,0]=4 3812 B10R0.98 CC(=O)OCOC(C)C(=O)C 34a_100000212229_100009813279 [0,2,0,0,0,0|2,0,0]=4 3813 B10R0.98 CC(=O)OCSC(C)C(=O)C 62a_100000076356_100009814033 [0,2,0,0,0,0|2,0,0]=4 3814 B10R0.98 CC(=O)OCSC(C)C(=O)C 62a_100009814033_100000076356 [0,2,0,0,0,0|2,0,0]=4 3815 B10R0.4 C#CCCCCCCC(=O)C 1458a_100000034748_200000210301 [0,2,0,0,0,0|2,0,0]=4 3816 B10R0.4 C#CCCCCCCC(=O)C 1458a_100000070787_100012276617 [0,2,0,0,0,0|2,0,0]=4 3817 B10R0.4 C#CCCCCCCC(=O)[13CH3] 1458a_100000034748_200025704644 [0,2,0,0,0,0|2,0,0]=4 3818 B10R0.4 C#CCCCCOCC(=O)C 34a_100000211253_100010269958 [0,2,0,0,0,0|1,0,1]=4 3819 B10R0.4 C#CCCCNCOC(=O)C 34a_100000718082_100009813279 [0,2,0,0,0,0|1,0,1]=4 3820 B10R0.4 C#CCCCOCCC(=O)C 34a_100000759926_100000695029 [0,2,0,0,0,0|1,0,1]=4 3821 B10R0.4 C#CCCCOCCC(=O)C 7a_100000215630_100000053229 [0,2,0,0,0,0|1,0,1]=4 3822 B10R0.4 C#CCCCOCCC(=O)C 7a_100000759926_100011215417 [0,2,0,0,0,0|1,0,1]=4 3823 B10R0.4 C#CCCCOCOC(=O)C 34a_100000215630_100009813279 [0,2,0,0,0,0|1,0,1]=4 3824 B10R0.4 C#CCCCSCOC(=O)C 62a_100000076356_100011215417 [0,2,0,0,0,0|1,0,1]=4 3825 B10R0.4 C#CCCCSCOC(=O)C 62a_100011215417_100000076356 [0,2,0,0,0,0|1,0,1]=4 3826 B10R0.4 C#CCCNCCOC(=O)C 34a_100000755551_100009814007 [0,2,0,0,0,0|1,0,1]=4 3827 B10R0.4 C#CCCOCCOC(=O)C 34a_100011215631_100009814007 [0,2,0,0,0,0|1,0,1]=4 3828 B10R0.4 C#CCCSCCOC(=O)C 62a_100000688953_100009814007 [0,2,0,0,0,0|1,0,1]=4 3829 B10R0.4 C#CCCSCCOC(=O)C 62a_100009814007_100000688953 [0,2,0,0,0,0|1,0,1]=4 3830 B10R0.4 C#CCNCCCCC(=O)C 34a_100000212058_100009817362 [0,2,0,0,0,0|2,0,0]=4 3831 B10R0.4 C#CCNCCCNC(=O)C 34a_100000736810_100000184674 [0,2,0,0,0,0|2,0,0]=4 3832 B10R0.4 C#CCNCCCOC(=O)C 34a_100000212058_100000042594 [0,2,0,0,0,0|1,0,0]=3 3833 B10R0.4 C#CCNCCCOC(=S)C 34a_100000212058_200135323944 [0,2,0,0,0,0|1,1,0]=4 3834 B10R0.4 C#CCNCCCSC(=O)C 34a_100000212058_100000038929 [0,2,0,0,0,0|1,1,0]=4 3835 B10R0.4 C#CCOCCCCC(=O)C 34a_100000210247_100009817362 [0,2,0,0,0,0|1,1,0]=4 3836 B10R0.4 C#CCOCCCNC(=O)C 34a_100000752032_100000184674 [0,2,0,0,0,0|1,1,0]=4 3837 B10R0.4 C#CCOCCCOC(=O)C 34a_100000210247_100000042594 [0,2,0,0,0,0|0,1,0]=3 3838 B10R0.4 C#CCOCCCOC(=S)C 34a_100000210247_200135323944 [0,2,0,0,0,0|0,2,0]=4 3839 B10R0.4 C#CCOCCCSC(=O)C 34a_100000210247_100000038929 [0,2,0,0,0,0|0,2,0]=4 3840 B10R0.4 C#CCOCCOCC(=O)C 34a_100000211253_100010402529 [0,2,0,0,0,0|1,0,1]=4 3841 B10R0.4 C#CCSCCCCC(=O)C 62a_100000038162_100000735457 [0,2,0,0,0,0|1,0,0]=3 3842 B10R0.4 C#CCSCCCOC(=O)C 62a_100000038162_100000042594 [0,2,0,0,0,0|0,0,0]=2 3843 B10R0.4 C#CCSCCCOC(=S)C 62a_100000038162_200135323944 [0,2,0,0,0,0|0,1,0]=3 3844 B10R0.4 C#CCSCCCSC(=O)C 62a_100000038162_100000038929 [0,2,0,0,0,0|0,1,0]=3 3845 B10R0.4 C/C=C/CCOCOC(=O)C 34a_100016278192_100009813279 [0,2,0,0,0,0|1,0,0]=3 3846 B10R0.4 C/C=C/COCCCC(=O)C 34a_100000759063_100102629194 [0,2,0,0,0,0|2,0,0]=4 3847 B10R0.4 C/C=C/COCCCC(=O)C 34a_100016270725_100000685027 [0,2,0,0,0,0|2,0,0]=4 3848 B10R0.4 C/C=C/COCCCC(=O)C 7a_100000759063_100102629194 [0,2,0,0,0,0|2,0,0]=4 3849 B10R0.4 C/C=C/COCCNC(=O)C 34a_100000158858_100102629194 [0,2,0,0,0,0|2,0,0]=4 3850 B10R0.4 C/C=C/COCCOC(=O)C 34a_100016270725_100009814007 [0,2,0,0,0,0|1,0,0]=3 3851 B10R0.4 C/C=C/COCCOC(=O)N 34a_100016270725_200011214921 [0,2,0,0,0,0|2,0,0]=4 3852 B10R0.4 C/C=C/COCCOC(=O)N 7a_100000766696_100102629194 [0,2,0,0,0,0|2,0,0]=4 3853 B10R0.4 C/C=C/CSCCCC(=O)C 62a_100011215641_100102629194 [0,2,0,0,0,0|2,0,0]=4 3854 B10R0.4 C/C=C/CSCCCC(=O)C 62a_100102629194_100011215641 [0,2,0,0,0,0|2,0,0]=4 3855 B10R0.4 C/C=C/CSCCNC(=O)C 62a_100000189650_100102629194 [0,2,0,0,0,0|2,0,0]=4 3856 B10R0.4 C/C=C/CSCCNC(=O)C 62a_100102629194_100000189650 [0,2,0,0,0,0|2,0,0]=4 3857 B10R0.4 C/C=C/CSCCOC(=O)C 62a_100009814007_100102629194 [0,2,0,0,0,0|1,0,0]=3 3858 B10R0.4 C/C=C/CSCCOC(=O)C 62a_100102629194_100009814007 [0,2,0,0,0,0|1,0,0]=3 3859 B10R0.4 C/C=C/CSCCOC(=O)N 62a_100102629194_200011214921 [0,2,0,0,0,0|2,0,0]=4 3860 B10R0.4 C/C=C/CSCCOC(=O)N 62a_200011214921_100102629194 [0,2,0,0,0,0|2,0,0]=4 3861 B10R0.4 C=C(C)CCNCCCSC 2230a_100000749238_100000730704 [0,2,0,0,0,0|2,0,0]=4 3862 B10R0.4 C=C(C)CCNCCSCC 2230a_100000106463_100000730704 [0,2,0,0,0,0|2,0,0]=4 3863 B10R0.4 C=C(C)CCOCCCCC 34a_100000210253_100000730704 [0,2,0,0,0,0|2,0,0]=4 3864 B10R0.4 C=C(C)CCOCCCCC 34a_100000764851_100000718602 [0,2,0,0,0,0|2,0,0]=4 3865 B10R0.4 C=C(C)CCOCCCCC 7a_100000210253_100000730704 [0,2,0,0,0,0|2,0,0]=4 3866 B10R0.4 C=C(C)CCOCCCNC 34a_100000213112_100000730704 [0,2,0,0,0,0|2,0,0]=4 3867 B10R0.4 C=C(C)CCOCCCOC 34a_100000740835_100000730704 [0,2,0,0,0,0|1,1,0]=4 3868 B10R0.4 C=C(C)CCOCCCOC 34a_100000764851_100000740836 [0,2,0,0,0,0|1,1,0]=4 3869 B10R0.4 C=C(C)CCOCCCSC 34a_100000690336_100000730704 [0,2,0,0,0,0|1,0,0]=3 3870 B10R0.4 C=C(C)CCOCCCSC 7a_100000690336_100000730704 [0,2,0,0,0,0|1,0,0]=3 3871 B10R0.4 C=C(C)CCOCCSCC 34a_100000212035_100000730704 [0,2,0,0,0,0|2,0,0]=4 3872 B10R0.4 C=C(C)CCOCCSCC 34a_100000764851_100000757381 [0,2,0,0,0,0|2,0,0]=4 3873 B10R0.4 C=C(C)CCOCCSCC 7a_100000212035_100000730704 [0,2,0,0,0,0|2,0,0]=4 3874 B10R0.4 C=C(C)CCSCCSCC 62a_100000730704_100000757381 [0,2,0,0,0,0|2,0,0]=4 3875 B10R0.4 C=C(C)CCSCCSCC 62a_100000757381_100000730704 [0,2,0,0,0,0|2,0,0]=4 3876 B10R0.4 C=C(C)COCCCC=CC 34a_100020645299_100000748629 [0,2,0,0,0,0|2,0,0]=4 3877 B10R0.4 C=C(C)COCCCCCBr 34a_100000746331_100000748629 [0,2,0,0,0,0|2,0,0]=4 3878 B10R0.4 C=C(C)COCCCCCBr 7a_100000746331_100000748629 [0,2,0,0,0,0|2,0,0]=4 3879 B10R0.4 C=C(C)COCCCCCC 34a_100000210245_100000210314 [0,2,0,0,0,0|2,0,0]=4 3880 B10R0.4 C=C(C)COCCCCCC 34a_100000210259_100000748629 [0,2,0,0,0,0|2,0,0]=4 3881 B10R0.4 C=C(C)COCCCCCC 7a_100000210259_100000748629 [0,2,0,0,0,0|2,0,0]=4 3882 B10R0.4 C=C(C)COCCCCCCl 34a_100000746330_100000748629 [0,2,0,0,0,0|2,0,0]=4 3883 B10R0.4 C=C(C)COCCCCCCl 7a_100000746330_100000748629 [0,2,0,0,0,0|2,0,0]=4 3884 B10R0.4 C=C(C)COCCCCCF 34a_100000210245_100000729378 [0,2,0,0,0,0|2,0,0]=4 3885 B10R0.4 C=C(C)COCCCCCI 34a_200012148887_100000748629 [0,2,0,0,0,0|2,0,0]=4 3886 B10R0.4 C=C(C)COCCCCCI 7a_200012148887_100000748629 [0,2,0,0,0,0|2,0,0]=4 3887 B10R0.4 C=C(C)COCCCCCN 34a_100000762737_100000748629 [0,2,0,0,0,0|2,0,0]=4 3888 B10R0.4 C=C(C)COCCCCCO 34a_100000210245_100000746330 [0,2,0,0,0,0|2,0,0]=4 3889 B10R0.4 C=C(C)COCCCCOC 34a_100000210245_100000755781 [0,2,0,0,0,0|1,1,0]=4 3890 B10R0.4 C=C(C)COCCCCOC 34a_100000740925_100000748629 [0,2,0,0,0,0|1,1,0]=4 3891 B10R0.4 C=C(C)COCCCCSC 34a_100011217163_100000748629 [0,2,0,0,0,0|1,0,0]=3 3892 B10R0.4 C=C(C)COCCCCSC 7a_100011217163_100000748629 [0,2,0,0,0,0|1,0,0]=3 3893 B10R0.4 C=C(C)COCCCOCC 34a_100000210245_100012232248 [0,2,0,0,0,0|1,1,0]=4 3894 B10R0.4 C=C(C)COCCCOCC 34a_100000757476_100000748629 [0,2,0,0,0,0|1,1,0]=4 3895 B10R0.4 C=C(C)COCCCOCC 7a_100000757476_100000748629 [0,2,0,0,0,0|1,1,0]=4 3896 B10R0.4 C=C(C)COCCCSCC 34a_100011216438_100000748629 [0,2,0,0,0,0|1,0,0]=3 3897 B10R0.4 C=C(C)COCCCSCC 7a_100011216438_100000748629 [0,2,0,0,0,0|1,0,0]=3 3898 B10R0.4 C=C(C)COCCOCCC 34a_100000210245_100011215938 [0,2,0,0,0,0|2,0,0]=4 3899 B10R0.4 C=C(C)COCCOCCC 34a_100000752267_100000748629 [0,2,0,0,0,0|2,0,0]=4 3900 B10R0.4 C=C(C)COCCOCCC 7a_100000752267_100000748629 [0,2,0,0,0,0|2,0,0]=4 3901 B10R0.4 C=C(C)COCCSCCC 34a_200000230433_100000748629 [0,2,0,0,0,0|2,0,0]=4 3902 B10R0.4 C=C(C)COCCSCCC 7a_200000230433_100000748629 [0,2,0,0,0,0|2,0,0]=4 3903 B10R0.4 C=C(C)COCOCCCC 34a_100000210245_100011995733 [0,2,0,0,0,0|2,0,0]=4 3904 B10R0.4 C=C(F)COCCCCSC 34a_100011217163_100009893438 [0,2,0,0,0,0|1,0,1]=4 3905 B10R0.4 C=C(F)COCCCCSC 7a_100011217163_100000042424 [0,2,0,0,0,0|1,0,1]=4 3906 B10R0.4 C=C(F)COCCCSCC 34a_100011216438_100009893438 [0,2,0,0,0,0|1,0,1]=4 3907 B10R0.4 C=C(F)COCCCSCC 7a_100011216438_100000042424 [0,2,0,0,0,0|1,0,1]=4 3908 B10R0.4 C=CCCCCCCC(=O)C 1458a_100000070787_100011215473 [0,2,0,0,0,0|2,0,0]=4 3909 B10R0.4 C=CCCCCCCC(=O)C 1458a_100011809334_200000210301 [0,2,0,0,0,0|2,0,0]=4 3910 B10R0.4 C=CCCCCCCC(=O)[13CH3] 1458a_100011809334_200025704644 [0,2,0,0,0,0|2,0,0]=4 3911 B10R0.4 C=CCCCCOCC(=O)C 34a_100000211253_100011215482 [0,2,0,0,0,0|1,0,1]=4 3912 B10R0.4 C=CCCCNCOC(=O)C 34a_100000700776_100009813279 [0,2,0,0,0,0|1,0,1]=4 3913 B10R0.4 C=CCCCOCCC(=O)C 34a_100000759926_100000757094 [0,2,0,0,0,0|1,0,1]=4 3914 B10R0.4 C=CCCCOCCC(=O)C 7a_100000758997_100000053229 [0,2,0,0,0,0|1,0,1]=4 3915 B10R0.4 C=CCCCOCCC(=O)C 7a_100000759926_100000757094 [0,2,0,0,0,0|1,0,1]=4 3916 B10R0.4 C=CCCCOCOC(=O)C 34a_100000758997_100009813279 [0,2,0,0,0,0|1,0,1]=4 3917 B10R0.4 C=CCCCSCOC(=O)C 62a_100000076356_100000757094 [0,2,0,0,0,0|1,0,1]=4 3918 B10R0.4 C=CCCCSCOC(=O)C 62a_100011713584_100000076356 [0,2,0,0,0,0|1,0,1]=4 3919 B10R0.4 C=CCCOCCOC(=O)C 34a_100011205117_100009814007 [0,2,0,0,0,0|1,0,1]=4 3920 B10R0.4 C=CCCSCCOC(=O)C 62a_100000754431_100009814007 [0,2,0,0,0,0|1,0,1]=4 3921 B10R0.4 C=CCCSCCOC(=O)C 62a_100009814007_100000754431 [0,2,0,0,0,0|1,0,1]=4 3922 B10R0.4 C=CCNCCCNC(=O)C 34a_100000736810_100015514636 [0,2,0,0,0,0|2,0,0]=4 3923 B10R0.4 C=CCNCCCOC(=S)C 2230a_100020586998_200135323944 [0,2,0,0,0,0|1,1,0]=4 3924 B10R0.4 C=CCNCCCSC(=O)C 2230a_100020586998_100000038929 [0,2,0,0,0,0|1,1,0]=4 3925 B10R0.4 C=CCOCCCCC(=O)C 34a_200000210373_100009817362 [0,2,0,0,0,0|1,1,0]=4 3926 B10R0.4 C=CCOCCCNC(=O)C 34a_100000752032_100015514636 [0,2,0,0,0,0|1,1,0]=4 3927 B10R0.4 C=CCOCCCOC(=O)C 34a_200000210373_100000042594 [0,2,0,0,0,0|0,1,0]=3 3928 B10R0.4 C=CCOCCCOC(=S)C 34a_200000210373_200135323944 [0,2,0,0,0,0|0,2,0]=4 3929 B10R0.4 C=CCOCCCSC(=O)C 34a_200000210373_100000038929 [0,2,0,0,0,0|0,2,0]=4 3930 B10R0.4 C=CCSCCCCC(=O)C 62a_100000210623_100000735457 [0,2,0,0,0,0|1,0,0]=3 3931 B10R0.4 C=CCSCCCCC(=O)C 62a_100000735457_100000210623 [0,2,0,0,0,0|1,0,0]=3 3932 B10R0.4 C=CCSCCCOC(=O)C 62a_100000042594_100000210623 [0,2,0,0,0,0|0,0,0]=2 3933 B10R0.4 C=CCSCCCOC(=O)C 62a_100000210623_100000042594 [0,2,0,0,0,0|0,0,0]=2 3934 B10R0.4 C=CCSCCCOC(=S)C 62a_100000210623_200135323944 [0,2,0,0,0,0|0,1,0]=3 3935 B10R0.4 C=CCSCCCOC(=S)C 62a_200135323944_100000210623 [0,2,0,0,0,0|0,1,0]=3 3936 B10R0.4 C=CCSCCCSC(=O)C 62a_100000038929_100000210623 [0,2,0,0,0,0|0,1,0]=3 3937 B10R0.4 C=CCSCCCSC(=O)C 62a_100000210623_100000038929 [0,2,0,0,0,0|0,1,0]=3 3938 B10R0.4 C=COCCOCOC(=O)C 34a_100000033082_100009813279 [0,2,0,0,0,0|0,1,1]=4 3939 B10R0.4 C=COCCSCOC(=O)C 62a_100000039644_100000076356 [0,2,0,0,0,0|0,1,1]=4 3940 B10R0.4 C=COCCSCOC(=O)C 62a_100000076356_100000039644 [0,2,0,0,0,0|0,1,1]=4 3941 B10R0.4 CC#CCCOCOC(=O)C 34a_100000750427_100009813279 [0,2,0,0,0,0|1,0,0]=3 3942 B10R0.4 CC#CCNCCCC(=O)C 34a_100000685387_100000685027 [0,2,0,0,0,0|2,0,0]=4 3943 B10R0.4 CC#CCNCCNC(=O)C 2230a_100000209853_100000748600 [0,2,0,0,0,0|2,0,0]=4 3944 B10R0.4 CC#CCNCCNC(=O)C 2230a_100000685387_100000189650 [0,2,0,0,0,0|2,0,0]=4 3945 B10R0.4 CC#CCNCCOC(=O)C 34a_100000685387_100009814007 [0,2,0,0,0,0|1,0,0]=3 3946 B10R0.4 CC#CCNCCOC(=O)N 34a_100000685387_200011214921 [0,2,0,0,0,0|2,0,0]=4 3947 B10R0.4 CC#CCOCCCC(=O)C 34a_100000759063_100000748600 [0,2,0,0,0,0|2,0,0]=4 3948 B10R0.4 CC#CCOCCCC(=O)C 34a_100000761923_100000685027 [0,2,0,0,0,0|2,0,0]=4 3949 B10R0.4 CC#CCOCCCC(=O)C 7a_100000759063_100000748600 [0,2,0,0,0,0|2,0,0]=4 3950 B10R0.4 CC#CCOCCNC(=O)C 34a_100000158858_100000748600 [0,2,0,0,0,0|2,0,0]=4 3951 B10R0.4 CC#CCOCCOC(=O)C 34a_100000761923_100009814007 [0,2,0,0,0,0|1,0,0]=3 3952 B10R0.4 CC#CCOCCOC(=O)N 34a_100000761923_200011214921 [0,2,0,0,0,0|2,0,0]=4 3953 B10R0.4 CC#CCOCCOC(=O)N 7a_100000766696_100000748600 [0,2,0,0,0,0|2,0,0]=4 3954 B10R0.4 CC#CCSCCCC(=O)C 62a_100000748600_100011215641 [0,2,0,0,0,0|2,0,0]=4 3955 B10R0.4 CC#CCSCCCC(=O)C 62a_100011215641_100000748600 [0,2,0,0,0,0|2,0,0]=4 3956 B10R0.4 CC#CCSCCNC(=O)C 62a_100000189650_100000748600 [0,2,0,0,0,0|2,0,0]=4 3957 B10R0.4 CC#CCSCCNC(=O)C 62a_100000748600_100000189650 [0,2,0,0,0,0|2,0,0]=4 3958 B10R0.4 CC#CCSCCOC(=O)C 62a_100000748600_100009814007 [0,2,0,0,0,0|1,0,0]=3 3959 B10R0.4 CC#CCSCCOC(=O)C 62a_100009814007_100000748600 [0,2,0,0,0,0|1,0,0]=3 3960 B10R0.4 CC#CCSCCOC(=O)N 62a_100000748600_200011214921 [0,2,0,0,0,0|2,0,0]=4 3961 B10R0.4 CC#CCSCCOC(=O)N 62a_200011214921_100000748600 [0,2,0,0,0,0|2,0,0]=4 3962 B10R0.4 CC(=O)CCCCCCC#N 1458a_100000070787_100009813337 [0,2,0,0,0,0|2,0,0]=4 3963 B10R0.4 CC(=O)CCCCCCCO 1458a_100000070787_100000760002 [0,2,0,0,0,0|2,0,0]=4 3964 B10R0.4 CC(=O)CCCCCCCO 1458a_100011219782_200000210301 [0,2,0,0,0,0|2,0,0]=4 3965 B10R0.4 CC(=O)CCCCNCCF 34a_100000724931_100009817362 [0,2,0,0,0,0|2,0,0]=4 3966 B10R0.4 CC(=O)CCCCNCCO 34a_100016990907_100009817362 [0,2,0,0,0,0|2,0,0]=4 3967 B10R0.4 CC(=O)CCCCOCCBr 34a_100000211926_100009817362 [0,2,0,0,0,0|1,1,0]=4 3968 B10R0.4 CC(=O)CCCCOCCN 34a_100000210304_100009817362 [0,2,0,0,0,0|1,1,0]=4 3969 B10R0.4 CC(=O)CCCCSCC#N 62a_100000735457_100011215382 [0,2,0,0,0,0|1,0,0]=3 3970 B10R0.4 CC(=O)CCCCSCC#N 62a_100011215382_100000735457 [0,2,0,0,0,0|1,0,0]=3 3971 B10R0.4 CC(=O)CCCCSCC=O 62a_100000735457_200015260668 [0,2,0,0,0,0|1,0,0]=3 3972 B10R0.4 CC(=O)CCCCSCC=O 62a_200015260668_100000735457 [0,2,0,0,0,0|1,0,0]=3 3973 B10R0.4 CC(=O)CCCCSCCF 62a_100000735457_100011217306 [0,2,0,0,0,0|1,0,0]=3 3974 B10R0.4 CC(=O)CCCCSCCF 62a_100011217306_100000735457 [0,2,0,0,0,0|1,0,0]=3 3975 B10R0.4 CC(=O)CCCCSCCO 62a_100000211926_100000735457 [0,2,0,0,0,0|1,0,0]=3 3976 B10R0.4 CC(=O)CCCCSCCO 62a_100000735457_100000211926 [0,2,0,0,0,0|1,0,0]=3 3977 B10R0.4 CC(=O)CCCNCCCF 34a_100015189416_100000685027 [0,2,0,0,0,0|2,0,0]=4 3978 B10R0.4 CC(=O)CCCOCCCBr 34a_100011217188_100000685027 [0,2,0,0,0,0|2,0,0]=4 3979 B10R0.4 CC(=O)CCCOCCCCl 34a_100000230001_100000685027 [0,2,0,0,0,0|2,0,0]=4 3980 B10R0.4 CC(=O)CCCOCCCF 34a_100000759063_100011934791 [0,2,0,0,0,0|2,0,0]=4 3981 B10R0.4 CC(=O)CCCOCCCF 34a_100000759539_100000685027 [0,2,0,0,0,0|2,0,0]=4 3982 B10R0.4 CC(=O)CCCOCCCF 7a_100000759063_100011934791 [0,2,0,0,0,0|2,0,0]=4 3983 B10R0.4 CC(=O)CCCOCCCN 34a_100000182051_100000685027 [0,2,0,0,0,0|2,0,0]=4 3984 B10R0.4 CC(=O)CCCOCCCO 34a_100000759063_100000230001 [0,2,0,0,0,0|2,0,0]=4 3985 B10R0.4 CC(=O)CCCOCCCO 7a_100000759063_100011215043 [0,2,0,0,0,0|2,0,0]=4 3986 B10R0.4 CC(=O)CCCSCCCF 62a_100011215641_100011934791 [0,2,0,0,0,0|2,0,0]=4 3987 B10R0.4 CC(=O)CCCSCCCF 62a_100011934791_100011215641 [0,2,0,0,0,0|2,0,0]=4 3988 B10R0.4 CC(=O)CCCSCCCO 62a_100011215043_100011215641 [0,2,0,0,0,0|2,0,0]=4 3989 B10R0.4 CC(=O)CCCSCCCO 62a_100011215641_100011215043 [0,2,0,0,0,0|2,0,0]=4 3990 B10R0.4 CC(=O)CCCSCSC#N 62a_100000211825_100011215641 [0,2,0,0,0,0|1,0,1]=4 3991 B10R0.4 CC(=O)CCCSCSC#N 62a_100011215641_100000211825 [0,2,0,0,0,0|1,0,1]=4 3992 B10R0.4 CC(=O)CCOCCCC#N 7a_100000759926_100000687738 [0,2,0,0,0,0|2,0,0]=4 3993 B10R0.4 CC(=O)CCOCCCC=O 7a_100000759926_200011292268 [0,2,0,0,0,0|2,0,0]=4 3994 B10R0.4 CC(=O)CCOCCCCCl 7a_100000210776_100000053229 [0,2,0,0,0,0|2,0,0]=4 3995 B10R0.4 CC(=O)CCOCCCCF 34a_100000759926_100000729493 [0,2,0,0,0,0|2,0,0]=4 3996 B10R0.4 CC(=O)CCOCCCCF 7a_100000759926_100000729493 [0,2,0,0,0,0|2,0,0]=4 3997 B10R0.4 CC(=O)CCOCCCCF 7a_100011995726_100000053229 [0,2,0,0,0,0|2,0,0]=4 3998 B10R0.4 CC(=O)CCOCCCCO 34a_100000759926_100011216708 [0,2,0,0,0,0|2,0,0]=4 3999 B10R0.4 CC(=O)CCOCCCCO 7a_100000759926_100000210776 [0,2,0,0,0,0|2,0,0]=4 4000 B10R0.4 CC(=O)CCSCCCCF 62a_100000053229_100000729493 [0,2,0,0,0,0|2,0,0]=4 4001 B10R0.4 CC(=O)CCSCCCCF 62a_100000729493_100000053229 [0,2,0,0,0,0|2,0,0]=4 4002 B10R0.4 CC(=O)CCSCCCCO 62a_100000053229_100000210776 [0,2,0,0,0,0|2,0,0]=4 4003 B10R0.4 CC(=O)CCSCCCCO 62a_100000210776_100000053229 [0,2,0,0,0,0|2,0,0]=4 4004 B10R0.4 CC(=O)CCSCCSC#N 62a_100000034367_100000053229 [0,2,0,0,0,0|1,0,1]=4 4005 B10R0.4 CC(=O)CCSCCSC#N 62a_100000053229_100000034367 [0,2,0,0,0,0|1,0,1]=4 4006 B10R0.4 CC(=O)COCCCCCF 34a_100000211253_100000729378 [0,2,0,0,0,0|1,0,0]=3 4007 B10R0.4 CC(=O)COCCCCCO 34a_100000211253_100000746330 [0,2,0,0,0,0|1,0,0]=3 4008 B10R0.4 CC(=O)COCCOCCO 1458a_106645077154_200000210301 [0,2,0,0,0,0|2,0,0]=4 4009 B10R0.4 CC(=O)COCCOCCO 34a_100000211253_100000692535 [0,2,0,0,0,0|2,0,0]=4 4010 B10R0.4 CC(=O)NCCCCCC#N 11a_100000061152_100015343762 [0,2,0,0,0,0|2,0,0]=4 4011 B10R0.4 CC(=O)NCCCCCC#N 1626a_100000061152_100015343762 [0,2,0,0,0,0|2,0,0]=4 4012 B10R0.4 CC(=O)NCCCCCC#N 240690a_100000061152_100015343762 [0,2,0,0,0,0|2,0,0]=4 4013 B10R0.4 CC(=O)NCCCCCC#N 527a_100000061152_100103153847 [0,2,0,0,0,0|2,0,0]=4 4014 B10R0.4 CC(=O)NCCCCCCO 240690a_100000686447_100015343762 [0,2,0,0,0,0|2,0,0]=4 4015 B10R0.4 CC(=O)NCCCCCCO 527a_100000686447_100103153847 [0,2,0,0,0,0|2,0,0]=4 4016 B10R0.4 CC(=O)NCCCCCN[13CH3] 2230a_200012022750_200025704644 [0,2,0,0,0,0|2,0,0]=4 4017 B10R0.4 CC(=O)NCCCCCN[13CH3] 34a_200012022750_200025704644 [0,2,0,0,0,0|2,0,0]=4 4018 B10R0.4 CC(=O)NCCCCNCF 34a_200011368371_100015361967 [0,2,0,0,0,0|2,0,0]=4 4019 B10R0.4 CC(=O)NCCCNCC=O 34a_100000736810_200009817547 [0,2,0,0,0,0|2,0,0]=4 4020 B10R0.4 CC(=O)NCCCNCCF 34a_100000736810_100011217306 [0,2,0,0,0,0|2,0,0]=4 4021 B10R0.4 CC(=O)NCCCNCCO 34a_100000736810_100000211926 [0,2,0,0,0,0|2,0,0]=4 4022 B10R0.4 CC(=O)NCCCOCC=O 34a_100000752032_200009817547 [0,2,0,0,0,0|1,1,0]=4 4023 B10R0.4 CC(=O)NCCCOCCF 34a_100000752032_100011217306 [0,2,0,0,0,0|1,1,0]=4 4024 B10R0.4 CC(=O)NCCCOCCO 34a_100000752032_100000211926 [0,2,0,0,0,0|1,1,0]=4 4025 B10R0.4 CC(=O)NCCNCCCF 2230a_100000209853_100011934791 [0,2,0,0,0,0|2,0,0]=4 4026 B10R0.4 CC(=O)NCCNCCCF 2230a_100015189416_100000189650 [0,2,0,0,0,0|2,0,0]=4 4027 B10R0.4 CC(=O)NCCNCCCO 2230a_100000209853_100000230001 [0,2,0,0,0,0|2,0,0]=4 4028 B10R0.4 CC(=O)NCCOCCCF 34a_100000158858_100011934791 [0,2,0,0,0,0|2,0,0]=4 4029 B10R0.4 CC(=O)NCCOCCCO 34a_100000158858_100000230001 [0,2,0,0,0,0|2,0,0]=4 4030 B10R0.4 CC(=O)NCCSCCCF 62a_100000189650_100011934791 [0,2,0,0,0,0|2,0,0]=4 4031 B10R0.4 CC(=O)NCCSCCCF 62a_100011934791_100000189650 [0,2,0,0,0,0|2,0,0]=4 4032 B10R0.4 CC(=O)NCCSCCCO 62a_100000189650_100011215043 [0,2,0,0,0,0|2,0,0]=4 4033 B10R0.4 CC(=O)NCCSCCCO 62a_100011215043_100000189650 [0,2,0,0,0,0|2,0,0]=4 4034 B10R0.4 CC(=O)NCCSCSC#N 62a_100000189650_100000211825 [0,2,0,0,0,0|1,0,1]=4 4035 B10R0.4 CC(=O)NCCSCSC#N 62a_100000211825_100000189650 [0,2,0,0,0,0|1,0,1]=4 4036 B10R0.4 CC(=O)OCCCCCS[13CH3] 62a_100000033007_200025704644 [0,2,0,0,0,0|0,0,0]=2 4037 B10R0.4 CC(=O)OCCCCCS[13CH3] 62a_200025704644_100000033007 [0,2,0,0,0,0|0,0,0]=2 4038 B10R0.4 CC(=O)OCCCCOCF 34a_100000073216_100015361967 [0,2,0,0,0,0|0,1,0]=3 4039 B10R0.4 CC(=O)OCCCCOCF 7a_100000073216_100015361967 [0,2,0,0,0,0|0,1,0]=3 4040 B10R0.4 CC(=O)OCCCCSCF 62a_100000033659_100015361967 [0,2,0,0,0,0|0,0,0]=2 4041 B10R0.4 CC(=O)OCCCCSCF 62a_100015361967_100000033659 [0,2,0,0,0,0|0,0,0]=2 4042 B10R0.4 CC(=O)OCCCNCCF 34a_100000724931_100000042594 [0,2,0,0,0,0|1,0,0]=3 4043 B10R0.4 CC(=O)OCCCNCCO 34a_100016990907_100000042594 [0,2,0,0,0,0|1,0,0]=3 4044 B10R0.4 CC(=O)OCCCOCCBr 34a_100000211926_100000042594 [0,2,0,0,0,0|0,1,0]=3 4045 B10R0.4 CC(=O)OCCCOCCN 34a_100000210304_100000042594 [0,2,0,0,0,0|0,1,0]=3 4046 B10R0.4 CC(=O)OCCCSCC#N 62a_100000042594_100011215382 [0,2,0,0,0,0|0,0,0]=2 4047 B10R0.4 CC(=O)OCCCSCC#N 62a_100011215382_100000042594 [0,2,0,0,0,0|0,0,0]=2 4048 B10R0.4 CC(=O)OCCCSCC=O 62a_100000042594_200015260668 [0,2,0,0,0,0|0,0,0]=2 4049 B10R0.4 CC(=O)OCCCSCC=O 62a_200015260668_100000042594 [0,2,0,0,0,0|0,0,0]=2 4050 B10R0.4 CC(=O)OCCCSCCF 62a_100000042594_100011217306 [0,2,0,0,0,0|0,0,0]=2 4051 B10R0.4 CC(=O)OCCCSCCF 62a_100011217306_100000042594 [0,2,0,0,0,0|0,0,0]=2 4052 B10R0.4 CC(=O)OCCCSCCO 62a_100000042594_100000211926 [0,2,0,0,0,0|0,0,0]=2 4053 B10R0.4 CC(=O)OCCCSCCO 62a_100000211926_100000042594 [0,2,0,0,0,0|0,0,0]=2 4054 B10R0.4 CC(=O)OCCNCCCF 34a_100015189416_100009814007 [0,2,0,0,0,0|1,0,0]=3 4055 B10R0.4 CC(=O)OCCOCCCBr 34a_100011217188_100009814007 [0,2,0,0,0,0|1,0,0]=3 4056 B10R0.4 CC(=O)OCCOCCCCl 34a_100000230001_100009814007 [0,2,0,0,0,0|1,0,0]=3 4057 B10R0.4 CC(=O)OCCOCCCF 34a_100000759539_100009814007 [0,2,0,0,0,0|1,0,0]=3 4058 B10R0.4 CC(=O)OCCOCCCN 34a_100000182051_100009814007 [0,2,0,0,0,0|1,0,0]=3 4059 B10R0.4 CC(=O)OCCOCCON 34a_100000700252_100009814007 [0,2,0,0,0,0|1,1,0]=4 4060 B10R0.4 CC(=O)OCCOCCS[13CH3] 62a_200000083610_200025704644 [0,2,0,0,0,0|0,0,0]=2 4061 B10R0.4 CC(=O)OCCOCCS[13CH3] 62a_200025704644_200000083610 [0,2,0,0,0,0|0,0,0]=2 4062 B10R0.4 CC(=O)OCCOCSCF 62a_100000076355_100015361967 [0,2,0,0,0,0|0,0,0]=2 4063 B10R0.4 CC(=O)OCCOCSCF 62a_100015361967_100000076355 [0,2,0,0,0,0|0,0,0]=2 4064 B10R0.4 CC(=O)OCCSCCC#N 62a_100009814007_100011215226 [0,2,0,0,0,0|1,0,1]=4 4065 B10R0.4 CC(=O)OCCSCCC#N 62a_100011215226_100009814007 [0,2,0,0,0,0|1,0,1]=4 4066 B10R0.4 CC(=O)OCCSCCCF 62a_100009814007_100011934791 [0,2,0,0,0,0|1,0,0]=3 4067 B10R0.4 CC(=O)OCCSCCCF 62a_100011934791_100009814007 [0,2,0,0,0,0|1,0,0]=3 4068 B10R0.4 CC(=O)OCCSCCCO 62a_100009814007_100011215043 [0,2,0,0,0,0|1,0,0]=3 4069 B10R0.4 CC(=O)OCCSCCCO 62a_100011215043_100009814007 [0,2,0,0,0,0|1,0,0]=3 4070 B10R0.4 CC(=O)OCCSCSC#N 62a_100000211825_100009814007 [0,2,0,0,0,0|0,0,1]=3 4071 B10R0.4 CC(=O)OCCSCSC#N 62a_100009814007_100000211825 [0,2,0,0,0,0|0,0,1]=3 4072 B10R0.4 CC(=O)OCNCCCCO 34a_100000750430_100009813279 [0,2,0,0,0,0|1,0,0]=3 4073 B10R0.4 CC(=O)OCOCC#CCCl 34a_200000047223_100009813279 [0,2,0,0,0,0|1,0,1]=4 4074 B10R0.4 CC(=O)OCOCCCCBr 34a_100011216708_100009813279 [0,2,0,0,0,0|1,0,0]=3 4075 B10R0.4 CC(=O)OCOCCCCCl 34a_100000210776_100009813279 [0,2,0,0,0,0|1,0,0]=3 4076 B10R0.4 CC(=O)OCOCCCCF 34a_100011995726_100009813279 [0,2,0,0,0,0|1,0,0]=3 4077 B10R0.4 CC(=O)OCOCCCCI 34a_200012148704_100009813279 [0,2,0,0,0,0|1,0,0]=3 4078 B10R0.4 CC(=O)OCOCCCCN 34a_100000750430_100009813279 [0,2,0,0,0,0|1,0,0]=3 4079 B10R0.4 CC(=O)OCSCC#CCO 62a_100000076356_200000047223 [0,2,0,0,0,0|1,0,1]=4 4080 B10R0.4 CC(=O)OCSCC#CCO 62a_200000047223_100000076356 [0,2,0,0,0,0|1,0,1]=4 4081 B10R0.4 CC(=O)OCSCCCC#N 62a_100000076356_100000687738 [0,2,0,0,0,0|1,0,1]=4 4082 B10R0.4 CC(=O)OCSCCCC#N 62a_100000687738_100000076356 [0,2,0,0,0,0|1,0,1]=4 4083 B10R0.4 CC(=O)OCSCCCC=O 62a_100000076356_200011292268 [0,2,0,0,0,0|1,0,1]=4 4084 B10R0.4 CC(=O)OCSCCCC=O 62a_200011292268_100000076356 [0,2,0,0,0,0|1,0,1]=4 4085 B10R0.4 CC(=O)OCSCCCCF 62a_100000076356_100000729493 [0,2,0,0,0,0|1,0,0]=3 4086 B10R0.4 CC(=O)OCSCCCCF 62a_100000729493_100000076356 [0,2,0,0,0,0|1,0,0]=3 4087 B10R0.4 CC(=O)OCSCCCCO 62a_100000076356_100000210776 [0,2,0,0,0,0|1,0,0]=3 4088 B10R0.4 CC(=O)OCSCCCCO 62a_100000210776_100000076356 [0,2,0,0,0,0|1,0,0]=3 4089 B10R0.4 CC(=O)OCSCCSC#N 62a_100000034367_100000076356 [0,2,0,0,0,0|0,0,1]=3 4090 B10R0.4 CC(=O)OCSCCSC#N 62a_100000076356_100000034367 [0,2,0,0,0,0|0,0,1]=3 4091 B10R0.4 CC(=O)SCCCCSCF 62a_100015361967_200010402107 [0,2,0,0,0,0|0,1,0]=3 4092 B10R0.4 CC(=O)SCCCCSCF 62a_200010402107_100015361967 [0,2,0,0,0,0|0,1,0]=3 4093 B10R0.4 CC(=O)SCCCNCCF 34a_100000724931_100000038929 [0,2,0,0,0,0|1,1,0]=4 4094 B10R0.4 CC(=O)SCCCNCCO 2230a_100016997473_100000038929 [0,2,0,0,0,0|1,1,0]=4 4095 B10R0.4 CC(=O)SCCCNCCO 34a_100016990907_100000038929 [0,2,0,0,0,0|1,1,0]=4 4096 B10R0.4 CC(=O)SCCCOCCBr 34a_100000211926_100000038929 [0,2,0,0,0,0|0,2,0]=4 4097 B10R0.4 CC(=O)SCCCOCCN 34a_100000210304_100000038929 [0,2,0,0,0,0|0,2,0]=4 4098 B10R0.4 CC(=O)SCCCSCC#N 62a_100000038929_100011215382 [0,2,0,0,0,0|0,1,0]=3 4099 B10R0.4 CC(=O)SCCCSCC#N 62a_100011215382_100000038929 [0,2,0,0,0,0|0,1,0]=3 4100 B10R0.4 CC(=O)SCCCSCC=O 62a_100000038929_200015260668 [0,2,0,0,0,0|0,1,0]=3 4101 B10R0.4 CC(=O)SCCCSCC=O 62a_200015260668_100000038929 [0,2,0,0,0,0|0,1,0]=3 4102 B10R0.4 CC(=O)SCCCSCCF 62a_100000038929_100011217306 [0,2,0,0,0,0|0,1,0]=3 4103 B10R0.4 CC(=O)SCCCSCCF 62a_100011217306_100000038929 [0,2,0,0,0,0|0,1,0]=3 4104 B10R0.4 CC(=O)SCCCSCCO 62a_100000038929_100000211926 [0,2,0,0,0,0|0,1,0]=3 4105 B10R0.4 CC(=O)SCCCSCCO 62a_100000211926_100000038929 [0,2,0,0,0,0|0,1,0]=3 4106 B10R0.4 CC(=S)OCCCNCCF 34a_100000724931_200135323944 [0,2,0,0,0,0|1,1,0]=4 4107 B10R0.4 CC(=S)OCCCNCCO 2230a_100016997473_200135323944 [0,2,0,0,0,0|1,1,0]=4 4108 B10R0.4 CC(=S)OCCCNCCO 34a_100016990907_200135323944 [0,2,0,0,0,0|1,1,0]=4 4109 B10R0.4 CC(=S)OCCCOCCBr 34a_100000211926_200135323944 [0,2,0,0,0,0|0,2,0]=4 4110 B10R0.4 CC(=S)OCCCOCCN 34a_100000210304_200135323944 [0,2,0,0,0,0|0,2,0]=4 4111 B10R0.4 CC(=S)OCCCSCC#N 62a_100011215382_200135323944 [0,2,0,0,0,0|0,1,0]=3 4112 B10R0.4 CC(=S)OCCCSCC#N 62a_200135323944_100011215382 [0,2,0,0,0,0|0,1,0]=3 4113 B10R0.4 CC(=S)OCCCSCC=O 62a_200015260668_200135323944 [0,2,0,0,0,0|0,1,0]=3 4114 B10R0.4 CC(=S)OCCCSCC=O 62a_200135323944_200015260668 [0,2,0,0,0,0|0,1,0]=3 4115 B10R0.4 CC(=S)OCCCSCCF 62a_100011217306_200135323944 [0,2,0,0,0,0|0,1,0]=3 4116 B10R0.4 CC(=S)OCCCSCCF 62a_200135323944_100011217306 [0,2,0,0,0,0|0,1,0]=3 4117 B10R0.4 CC(=S)OCCCSCCO 62a_100000211926_200135323944 [0,2,0,0,0,0|0,1,0]=3 4118 B10R0.4 CC(=S)OCCCSCCO 62a_200135323944_100000211926 [0,2,0,0,0,0|0,1,0]=3 4119 B10R0.4 CC/C=C\CCOCC(=O)C 34a_100000211253_100015370543 [0,2,0,0,0,0|1,0,1]=4 4120 B10R0.4 CC/C=C\COCOC(=O)C 34a_100016268518_100009813279 [0,2,0,0,0,0|1,0,1]=4 4121 B10R0.4 CC/C=C\CSCOC(=O)C 62a_100000076356_100103147603 [0,2,0,0,0,0|1,0,1]=4 4122 B10R0.4 CC/C=C\CSCOC(=O)C 62a_100103147603_100000076356 [0,2,0,0,0,0|1,0,1]=4 4123 B10R0.4 CC=CCCCOCC(=O)N 34a_100020645299_100000187820 [0,2,0,0,0,0|2,0,0]=4 4124 B10R0.4 CC=CCCCOCC(=O)[O-] 34a_100020645299_100020667443 [0,2,0,0,0,0|2,0,0]=4 4125 B10R0.4 CC=CCNCCNC(=O)C 2230a_100000209853_100000070051 [0,2,0,0,0,0|2,0,0]=4 4126 B10R0.4 CC=CCOCCCC(=O)C 34a_100000759063_100000070051 [0,2,0,0,0,0|2,0,0]=4 4127 B10R0.4 CC=CCOCCCC(=O)C 7a_100000759063_100000070051 [0,2,0,0,0,0|2,0,0]=4 4128 B10R0.4 CC=CCOCCNC(=O)C 34a_100000158858_100000070051 [0,2,0,0,0,0|2,0,0]=4 4129 B10R0.4 CC=CCOCCOC(=O)N 7a_100000766696_100000070051 [0,2,0,0,0,0|2,0,0]=4 4130 B10R0.4 CC=CCSCCCC(=O)C 62a_100000070051_100011215641 [0,2,0,0,0,0|2,0,0]=4 4131 B10R0.4 CC=CCSCCCC(=O)C 62a_100011215641_100000070051 [0,2,0,0,0,0|2,0,0]=4 4132 B10R0.4 CC=CCSCCNC(=O)C 62a_100000070051_100000189650 [0,2,0,0,0,0|2,0,0]=4 4133 B10R0.4 CC=CCSCCNC(=O)C 62a_100000189650_100000070051 [0,2,0,0,0,0|2,0,0]=4 4134 B10R0.4 CC=CCSCCOC(=O)C 62a_100000070051_100009814007 [0,2,0,0,0,0|1,0,0]=3 4135 B10R0.4 CC=CCSCCOC(=O)C 62a_100009814007_100000070051 [0,2,0,0,0,0|1,0,0]=3 4136 B10R0.4 CC=CCSCCOC(=O)N 62a_100000070051_200011214921 [0,2,0,0,0,0|2,0,0]=4 4137 B10R0.4 CC=CCSCCOC(=O)N 62a_200011214921_100000070051 [0,2,0,0,0,0|2,0,0]=4 4138 B10R0.4 CCC#CCOCOC(=O)C 34a_100000032950_100009813279 [0,2,0,0,0,0|1,0,1]=4 4139 B10R0.4 CCC#CCSCOC(=O)C 62a_100000076356_100009813939 [0,2,0,0,0,0|1,0,1]=4 4140 B10R0.4 CCC#CCSCOC(=O)C 62a_100009813939_100000076356 [0,2,0,0,0,0|1,0,1]=4 4141 B10R0.4 CCCCC/C=C/CC(=O)C 1458a_100020675968_200000210301 [0,2,0,0,0,0|2,0,0]=4 4142 B10R0.4 CCCCC/C=C/CC(=O)[13CH3] 1458a_100020675968_200025704644 [0,2,0,0,0,0|2,0,0]=4 4143 B10R0.4 CCCCCC#CCC(=O)C 1458a_100000070787_100009816472 [0,2,0,0,0,0|2,0,0]=4 4144 B10R0.4 CCCCCC=NNC(=O)C 4a_100000189765_100000737632 [0,2,0,0,0,0|2,0,0]=4 4145 B10R0.4 CCCCCCC=CC(=O)C 1458a_200015324643_200000210301 [0,2,0,0,0,0|2,0,0]=4 4146 B10R0.4 CCCCCCC=CC(=O)[13CH3] 1458a_200015324643_200025704644 [0,2,0,0,0,0|2,0,0]=4 4147 B10R0.4 CCCCCCCCC(=O)C 1458a_100000070787_100000210759 [0,2,0,0,0,0|2,0,0]=4 4148 B10R0.4 CCCCCCCCC(=O)C 1458a_100000210188_200000210301 [0,2,0,0,0,0|2,0,0]=4 4149 B10R0.4 CCCCCCCCC(=O)[13CH3] 1458a_100000210188_200025704644 [0,2,0,0,0,0|2,0,0]=4 4150 B10R0.4 CCCCCCCNC(=O)C 11a_100000229938_100015343762 [0,2,0,0,0,0|2,0,0]=4 4151 B10R0.4 CCCCCCCNC(=O)C 1626a_100000229938_100015343762 [0,2,0,0,0,0|2,0,0]=4 4152 B10R0.4 CCCCCCCNC(=O)C 240690a_100000229938_100015343762 [0,2,0,0,0,0|2,0,0]=4 4153 B10R0.4 CCCCCCCNC(=O)C 527a_100000229938_100103153847 [0,2,0,0,0,0|2,0,0]=4 4154 B10R0.4 CCCCCCOCC(=O)C 34a_100000211253_100000210314 [0,2,0,0,0,0|1,0,0]=3 4155 B10R0.4 CCCCCCOCC(=O)N 34a_100000210259_100000187820 [0,2,0,0,0,0|2,0,0]=4 4156 B10R0.4 CCCCCCOCC(=O)N 7a_100000210259_100000187820 [0,2,0,0,0,0|2,0,0]=4 4157 B10R0.4 CCCCCCOCC(=O)[O-] 34a_100000210259_100020667443 [0,2,0,0,0,0|2,0,0]=4 4158 B10R0.4 CCCCCNOCC(=O)O 269956a_100000106656_100000210326 [0,2,0,0,0,0|2,0,0]=4 4159 B10R0.4 CCCCCOCC=C(C)C 34a_100000210253_100000761012 [0,2,0,0,0,0|2,0,0]=4 4160 B10R0.4 CCCCCOCC=C(C)C 34a_100000753907_100000718602 [0,2,0,0,0,0|2,0,0]=4 4161 B10R0.4 CCCCCOCC=C(C)C 7a_100000210253_100000761012 [0,2,0,0,0,0|2,0,0]=4 4162 B10R0.4 CCCCCOCCC(=O)C 34a_100000759926_100000718602 [0,2,0,0,0,0|1,0,0]=3 4163 B10R0.4 CCCCCOCCC(=O)C 7a_100000210253_100000053229 [0,2,0,0,0,0|1,0,0]=3 4164 B10R0.4 CCCCCOCCC(=O)C 7a_100000759926_100000210326 [0,2,0,0,0,0|1,0,0]=3 4165 B10R0.4 CCCCCOCCC(=O)N 34a_100000210253_100000731001 [0,2,0,0,0,0|2,0,0]=4 4166 B10R0.4 CCCCCOCCC(=O)N 34a_100000757172_100000718602 [0,2,0,0,0,0|2,0,0]=4 4167 B10R0.4 CCCCCOCCC(=O)N 7a_100000210253_100000744528 [0,2,0,0,0,0|2,0,0]=4 4168 B10R0.4 CCCCCOCCC(=O)N 7a_100000757172_100000210326 [0,2,0,0,0,0|2,0,0]=4 4169 B10R0.4 CCCCCOCOC(=O)C 34a_100000210253_100009813279 [0,2,0,0,0,0|1,0,0]=3 4170 B10R0.4 CCCCCSCCC(=O)C 62a_100000053229_100000210326 [0,2,0,0,0,0|1,1,0]=4 4171 B10R0.4 CCCCCSCCC(=O)C 62a_100000210326_100000053229 [0,2,0,0,0,0|1,1,0]=4 4172 B10R0.4 CCCCCSCOC(=O)C 62a_100000076356_100000210326 [0,2,0,0,0,0|1,0,0]=3 4173 B10R0.4 CCCCCSCOC(=O)C 62a_100000210326_100000076356 [0,2,0,0,0,0|1,0,0]=3 4174 B10R0.4 CCCCNCCCC(=O)C 7a_106832991798_100011215641 [0,2,0,0,0,0|2,0,0]=4 4175 B10R0.4 CCCCNCCNC(=O)C 2230a_100000102301_100000189650 [0,2,0,0,0,0|2,0,0]=4 4176 B10R0.4 CCCCNCCNC(=O)C 2230a_100000209853_100000210211 [0,2,0,0,0,0|2,0,0]=4 4177 B10R0.4 CCCCNCCNC(=O)C 7a_106832991798_100000189650 [0,2,0,0,0,0|2,0,0]=4 4178 B10R0.4 CCCCNCCOC(=O)C 7a_106832991798_100009814007 [0,2,0,0,0,0|1,0,0]=3 4179 B10R0.4 CCCCNCCOC(=O)N 7a_106832991798_200011214921 [0,2,0,0,0,0|2,0,0]=4 4180 B10R0.4 CCCCOCCCC(=O)C 34a_100000210227_100000685027 [0,2,0,0,0,0|2,0,0]=4 4181 B10R0.4 CCCCOCCCC(=O)C 34a_100000759063_100000210210 [0,2,0,0,0,0|2,0,0]=4 4182 B10R0.4 CCCCOCCCC(=O)C 7a_100000210227_100011215641 [0,2,0,0,0,0|2,0,0]=4 4183 B10R0.4 CCCCOCCCC(=O)C 7a_100000759063_100000210211 [0,2,0,0,0,0|2,0,0]=4 4184 B10R0.4 CCCCOCCNC(=O)C 34a_100000158858_100000210210 [0,2,0,0,0,0|2,0,0]=4 4185 B10R0.4 CCCCOCCNC(=O)C 7a_100000210227_100000189650 [0,2,0,0,0,0|2,0,0]=4 4186 B10R0.4 CCCCOCCOC(=O)C 34a_100000210227_100009814007 [0,2,0,0,0,0|1,0,0]=3 4187 B10R0.4 CCCCOCCOC(=O)C 7a_100000210227_100009814007 [0,2,0,0,0,0|1,0,0]=3 4188 B10R0.4 CCCCOCCOC(=O)N 34a_100000210227_200011214921 [0,2,0,0,0,0|2,0,0]=4 4189 B10R0.4 CCCCOCCOC(=O)N 7a_100000210227_200011214921 [0,2,0,0,0,0|2,0,0]=4 4190 B10R0.4 CCCCOCCOC(=O)N 7a_100000766696_100000210211 [0,2,0,0,0,0|2,0,0]=4 4191 B10R0.4 CCCCOCOCC(=O)C 34a_100000211253_100011995733 [0,2,0,0,0,0|1,0,0]=3 4192 B10R0.4 CCCCSCCCC(=O)C 62a_100000210211_100011215641 [0,2,0,0,0,0|2,0,0]=4 4193 B10R0.4 CCCCSCCCC(=O)C 62a_100011215641_100000210210 [0,2,0,0,0,0|2,0,0]=4 4194 B10R0.4 CCCCSCCNC(=O)C 11a_100025743550_100015343762 [0,2,0,0,0,0|2,0,0]=4 4195 B10R0.4 CCCCSCCNC(=O)C 1626a_100025743550_100015343762 [0,2,0,0,0,0|2,0,0]=4 4196 B10R0.4 CCCCSCCNC(=O)C 240690a_100025743550_100015343762 [0,2,0,0,0,0|2,0,0]=4 4197 B10R0.4 CCCCSCCNC(=O)C 527a_100025743550_100103153847 [0,2,0,0,0,0|2,0,0]=4 4198 B10R0.4 CCCCSCCNC(=O)C 62a_100000189650_100000210210 [0,2,0,0,0,0|2,0,0]=4 4199 B10R0.4 CCCCSCCNC(=O)C 62a_100000210211_100000189650 [0,2,0,0,0,0|2,0,0]=4 4200 B10R0.4 CCCCSCCOC(=O)C 62a_100000210211_100009814007 [0,2,0,0,0,0|1,0,0]=3 4201 B10R0.4 CCCCSCCOC(=O)C 62a_100009814007_100000210210 [0,2,0,0,0,0|1,0,0]=3 4202 B10R0.4 CCCCSCCOC(=O)N 62a_100000210211_200011214921 [0,2,0,0,0,0|2,0,0]=4 4203 B10R0.4 CCCCSCCOC(=O)N 62a_200011214921_100000210210 [0,2,0,0,0,0|2,0,0]=4 4204 B10R0.4 CCCNCCCNC(=O)C 34a_100000736810_100000210303 [0,2,0,0,0,0|2,0,0]=4 4205 B10R0.4 CCCNCCOCC(=O)O 269956a_100000700818_100000210207 [0,2,0,0,0,0|2,0,0]=4 4206 B10R0.4 CCCOCCCCC(=O)C 34a_100000210258_100009817362 [0,2,0,0,0,0|1,1,0]=4 4207 B10R0.4 CCCOCCCNC(=O)C 1626a_100011217757_100015343762 [0,2,0,0,0,0|1,1,0]=4 4208 B10R0.4 CCCOCCCNC(=O)C 240690a_100011217757_100015343762 [0,2,0,0,0,0|1,1,0]=4 4209 B10R0.4 CCCOCCCNC(=O)C 34a_100000752032_100000210303 [0,2,0,0,0,0|1,1,0]=4 4210 B10R0.4 CCCOCCCNC(=O)C 527a_100011217757_100103153847 [0,2,0,0,0,0|1,1,0]=4 4211 B10R0.4 CCCOCCCOC(=O)C 34a_100000210258_100000042594 [0,2,0,0,0,0|0,1,0]=3 4212 B10R0.4 CCCOCCCOC(=S)C 34a_100000210258_200135323944 [0,2,0,0,0,0|0,2,0]=4 4213 B10R0.4 CCCOCCCSC(=O)C 34a_100000210258_100000038929 [0,2,0,0,0,0|0,2,0]=4 4214 B10R0.4 CCCOCCOCC(=O)C 34a_100000211253_100011215938 [0,2,0,0,0,0|1,0,0]=3 4215 B10R0.4 CCCOCCOCC(=O)N 34a_100000210258_100000076697 [0,2,0,0,0,0|2,0,0]=4 4216 B10R0.4 CCCOCCOCC(=O)N 34a_100000752267_100000187820 [0,2,0,0,0,0|2,0,0]=4 4217 B10R0.4 CCCOCCOCC(=O)N 7a_100000752267_100000187820 [0,2,0,0,0,0|2,0,0]=4 4218 B10R0.4 CCCOCCOCC(=O)[O-] 34a_100000752267_100020667443 [0,2,0,0,0,0|2,0,0]=4 4219 B10R0.4 CCCSCCCCC(=O)C 62a_100000210303_100000735457 [0,2,0,0,0,0|1,0,0]=3 4220 B10R0.4 CCCSCCCCC(=O)C 62a_100000735457_100000210303 [0,2,0,0,0,0|1,0,0]=3 4221 B10R0.4 CCCSCCCOC(=O)C 62a_100000042594_100000210303 [0,2,0,0,0,0|0,0,0]=2 4222 B10R0.4 CCCSCCCOC(=O)C 62a_100000210303_100000042594 [0,2,0,0,0,0|0,0,0]=2 4223 B10R0.4 CCCSCCCOC(=S)C 62a_100000210303_200135323944 [0,2,0,0,0,0|0,1,0]=3 4224 B10R0.4 CCCSCCCOC(=S)C 62a_200135323944_100000210303 [0,2,0,0,0,0|0,1,0]=3 4225 B10R0.4 CCCSCCCSC(=O)C 62a_100000038929_100000210303 [0,2,0,0,0,0|0,1,0]=3 4226 B10R0.4 CCCSCCCSC(=O)C 62a_100000210303_100000038929 [0,2,0,0,0,0|0,1,0]=3 4227 B10R0.4 CCCSCCOCC(=O)N 34a_200000230433_100000187820 [0,2,0,0,0,0|2,0,0]=4 4228 B10R0.4 CCCSCCOCC(=O)N 62a_100000076697_100000210303 [0,2,0,0,0,0|2,0,0]=4 4229 B10R0.4 CCCSCCOCC(=O)N 62a_100000210303_100000076697 [0,2,0,0,0,0|2,0,0]=4 4230 B10R0.4 CCCSCCOCC(=O)N 7a_200000230433_100000187820 [0,2,0,0,0,0|2,0,0]=4 4231 B10R0.4 CCCSCCOCC(=O)[O-] 34a_200000230433_100020667443 [0,2,0,0,0,0|2,0,0]=4 4232 B10R0.4 CCNCCCCNC(=O)C 2230a_200011368371_100000210202 [0,2,0,0,0,0|2,0,0]=4 4233 B10R0.4 CCNCCCCNC(=O)C 34a_200011368371_100000210202 [0,2,0,0,0,0|2,0,0]=4 4234 B10R0.4 CCNCCCCSC(=O)C 2230a_100015525214_200010402107 [0,2,0,0,0,0|1,1,0]=4 4235 B10R0.4 CCOCCCCOC(=O)C 34a_100000073216_100000210202 [0,2,0,0,0,0|0,1,0]=3 4236 B10R0.4 CCOCCCCOC(=O)C 34a_100121572206_100000033659 [0,2,0,0,0,0|0,1,0]=3 4237 B10R0.4 CCOCCCCOC(=O)C 7a_100000073216_100000210202 [0,2,0,0,0,0|0,1,0]=3 4238 B10R0.4 CCOCCCCSC(=O)C 34a_100121572206_200010402107 [0,2,0,0,0,0|0,2,0]=4 4239 B10R0.4 CCOCCCOCC(=O)C 34a_100000211253_100012232248 [0,2,0,0,0,0|0,1,0]=3 4240 B10R0.4 CCOCCCOCC(=O)N 34a_100000757476_100000187820 [0,2,0,0,0,0|1,1,0]=4 4241 B10R0.4 CCOCCCOCC(=O)N 7a_100000757476_100000187820 [0,2,0,0,0,0|1,1,0]=4 4242 B10R0.4 CCOCCCOCC(=O)[O-] 34a_100000757476_100020667443 [0,2,0,0,0,0|1,1,0]=4 4243 B10R0.4 CCOCCNCOC(=O)C 34a_102516460346_100009813279 [0,2,0,0,0,0|0,1,0]=3 4244 B10R0.4 CCOCCOCCC(=O)C 1458a_100000070787_100011211534 [0,2,0,0,0,0|1,1,0]=4 4245 B10R0.4 CCOCCOCCC(=O)C 34a_100000759926_100000210147 [0,2,0,0,0,0|1,1,0]=4 4246 B10R0.4 CCOCCOCCC(=O)C 7a_100000210136_100000053229 [0,2,0,0,0,0|1,1,0]=4 4247 B10R0.4 CCOCCOCCC(=O)C 7a_100000759926_100011215890 [0,2,0,0,0,0|1,1,0]=4 4248 B10R0.4 CCOCCOCOC(=O)C 34a_100000210136_100009813279 [0,2,0,0,0,0|0,1,0]=3 4249 B10R0.4 CCOCCSCCC(=O)C 62a_100000053229_100011215890 [0,2,0,0,0,0|1,1,0]=4 4250 B10R0.4 CCOCCSCCC(=O)C 62a_100000210147_100000053229 [0,2,0,0,0,0|1,1,0]=4 4251 B10R0.4 CCOCCSCOC(=O)C 62a_100000076356_100011215890 [0,2,0,0,0,0|0,1,0]=3 4252 B10R0.4 CCOCCSCOC(=O)C 62a_100000210147_100000076356 [0,2,0,0,0,0|0,1,0]=3 4253 B10R0.4 CCOCOCCOC(=O)C 34a_100121572206_100000076355 [0,2,0,0,0,0|0,1,0]=3 4254 B10R0.4 CCOCSCCCC(=O)C 62a_100000739092_100011215641 [0,2,0,0,0,0|1,1,0]=4 4255 B10R0.4 CCOCSCCCC(=O)C 62a_100011215641_100000739092 [0,2,0,0,0,0|1,1,0]=4 4256 B10R0.4 CCOCSCCNC(=O)C 62a_100000189650_100000739092 [0,2,0,0,0,0|1,1,0]=4 4257 B10R0.4 CCOCSCCNC(=O)C 62a_100000739092_100000189650 [0,2,0,0,0,0|1,1,0]=4 4258 B10R0.4 CCOCSCCOC(=O)C 62a_100000739092_100009814007 [0,2,0,0,0,0|0,1,0]=3 4259 B10R0.4 CCOCSCCOC(=O)C 62a_100009814007_100000739092 [0,2,0,0,0,0|0,1,0]=3 4260 B10R0.4 CCOCSCCOC(=O)N 62a_100000739092_200011214921 [0,2,0,0,0,0|1,1,0]=4 4261 B10R0.4 CCOCSCCOC(=O)N 62a_200011214921_100000739092 [0,2,0,0,0,0|1,1,0]=4 4262 B10R0.4 CCSCCCCCC(=O)N 62a_100000210202_100009817443 [0,2,0,0,0,0|2,0,0]=4 4263 B10R0.4 CCSCCCCCC(=O)N 62a_100009817443_100000210202 [0,2,0,0,0,0|2,0,0]=4 4264 B10R0.4 CCSCCCCOC(=O)C 62a_100000033659_100000210202 [0,2,0,0,0,0|0,0,0]=2 4265 B10R0.4 CCSCCCCOC(=O)C 62a_100000210202_100000033659 [0,2,0,0,0,0|0,0,0]=2 4266 B10R0.4 CCSCCCCO[N+](=O)[O-] 62a_100000210202_100015694321 [0,2,0,0,0,0|2,0,0]=4 4267 B10R0.4 CCSCCCCSC(=O)C 62a_100000210202_200010402107 [0,2,0,0,0,0|0,1,0]=3 4268 B10R0.4 CCSCCCCSC(=O)C 62a_200010402107_100000210202 [0,2,0,0,0,0|0,1,0]=3 4269 B10R0.4 CCSCCCOCC(=O)N 34a_100011216438_100000187820 [0,2,0,0,0,0|1,0,0]=3 4270 B10R0.4 CCSCCCOCC(=O)N 7a_100011216438_100000187820 [0,2,0,0,0,0|1,0,0]=3 4271 B10R0.4 CCSCCCOCC(=O)[O-] 34a_100011216438_100020667443 [0,2,0,0,0,0|1,0,0]=3 4272 B10R0.4 CCSCCCOCC(C)C 34a_100011216438_100000210624 [0,2,0,0,0,0|1,0,1]=4 4273 B10R0.4 CCSCCCOCC(C)C 7a_100011216438_100000210760 [0,2,0,0,0,0|1,0,1]=4 4274 B10R0.4 CCSCCCOCC(C)O 34a_100011216438_100011218427 [0,2,0,0,0,0|0,0,2]=4 4275 B10R0.4 CCSCCCOCC(C)O 7a_100011216438_100011218427 [0,2,0,0,0,0|0,0,2]=4 4276 B10R0.4 CCSCCCOC[C@@H](C)O 34a_100011216438_100009817552 [0,2,0,0,0,0|0,0,2]=4 4277 B10R0.4 CCSCCCOC[C@@H](C)O 7a_100011216438_100009817552 [0,2,0,0,0,0|0,0,2]=4 4278 B10R0.4 CCSCCCOC[N+](=O)[O-] 34a_100011216438_100000761209 [0,2,0,0,0,0|2,0,0]=4 4279 B10R0.4 CCSCCNCC=C(C)C 2230a_100000106463_100000761012 [0,2,0,0,0,0|2,0,0]=4 4280 B10R0.4 CCSCCNCC=C(C)C 34a_100000718196_100000757381 [0,2,0,0,0,0|2,0,0]=4 4281 B10R0.4 CCSCCNCCC(=O)N 2230a_100000106463_100000744528 [0,2,0,0,0,0|2,0,0]=4 4282 B10R0.4 CCSCCNCOC(C)C 2230a_100000106463_100000709892 [0,2,0,0,0,0|1,0,1]=4 4283 B10R0.4 CCSCCNOCC(=O)O 269956a_100000106656_100000757381 [0,2,0,0,0,0|2,0,0]=4 4284 B10R0.4 CCSCCOCC=C(C)C 34a_100000212035_100000761012 [0,2,0,0,0,0|2,0,0]=4 4285 B10R0.4 CCSCCOCC=C(C)C 34a_100000753907_100000757381 [0,2,0,0,0,0|2,0,0]=4 4286 B10R0.4 CCSCCOCC=C(C)C 7a_100000212035_100000761012 [0,2,0,0,0,0|2,0,0]=4 4287 B10R0.4 CCSCCOCCC(=O)C 34a_100000759926_100000757381 [0,2,0,0,0,0|1,0,0]=3 4288 B10R0.4 CCSCCOCCC(=O)C 7a_100000212035_100000053229 [0,2,0,0,0,0|1,0,0]=3 4289 B10R0.4 CCSCCOCCC(=O)C 7a_100000759926_100000757381 [0,2,0,0,0,0|1,0,0]=3 4290 B10R0.4 CCSCCOCCC(=O)N 34a_100000212035_100000731001 [0,2,0,0,0,0|2,0,0]=4 4291 B10R0.4 CCSCCOCCC(=O)N 34a_100000757172_100000757381 [0,2,0,0,0,0|2,0,0]=4 4292 B10R0.4 CCSCCOCCC(=O)N 7a_100000212035_100000744528 [0,2,0,0,0,0|2,0,0]=4 4293 B10R0.4 CCSCCOCCC(=O)N 7a_100000757172_100000757381 [0,2,0,0,0,0|2,0,0]=4 4294 B10R0.4 CCSCCOCOC(=O)C 34a_100000212035_100009813279 [0,2,0,0,0,0|0,0,0]=2 4295 B10R0.4 CCSCCOCOC(C)C 34a_100000212035_100000709892 [0,2,0,0,0,0|1,0,1]=4 4296 B10R0.4 CCSCCSCC=C(C)C 62a_100000757381_100000761012 [0,2,0,0,0,0|2,0,0]=4 4297 B10R0.4 CCSCCSCC=C(C)C 62a_100000761012_100000757381 [0,2,0,0,0,0|2,0,0]=4 4298 B10R0.4 CCSCCSCCC(=O)C 62a_100000053229_100000757381 [0,2,0,0,0,0|1,0,0]=3 4299 B10R0.4 CCSCCSCCC(=O)C 62a_100000757381_100000053229 [0,2,0,0,0,0|1,0,0]=3 4300 B10R0.4 CCSCCSCCC(=O)N 62a_100000744528_100000757381 [0,2,0,0,0,0|2,0,0]=4 4301 B10R0.4 CCSCCSCCC(=O)N 62a_100000757381_100000744528 [0,2,0,0,0,0|2,0,0]=4 4302 B10R0.4 CCSCCSCOC(=O)C 62a_100000076356_100000757381 [0,2,0,0,0,0|0,0,0]=2 4303 B10R0.4 CCSCCSCOC(=O)C 62a_100000757381_100000076356 [0,2,0,0,0,0|0,0,0]=2 4304 B10R0.4 CCSCCSCOC(C)C 62a_100000709892_100000757381 [0,2,0,0,0,0|1,0,1]=4 4305 B10R0.4 CCSCCSCOC(C)C 62a_100000757381_100000709892 [0,2,0,0,0,0|1,0,1]=4 4306 B10R0.4 CCSCOCCOC(=O)C 62a_100000076355_100000210202 [0,2,0,0,0,0|0,0,0]=2 4307 B10R0.4 CCSCOCCOC(=O)C 62a_100000210202_100000076355 [0,2,0,0,0,0|0,0,0]=2 4308 B10R0.4 CNCCCCCNC(=O)C 2230a_200012022750_200000210301 [0,2,0,0,0,0|2,0,0]=4 4309 B10R0.4 CNCCCCCNC(=O)C 34a_200012022750_200000210301 [0,2,0,0,0,0|2,0,0]=4 4310 B10R0.4 CNCCCCCOC(=O)C 2230a_106832991635_100009813381 [0,2,0,0,0,0|1,0,0]=3 4311 B10R0.4 CNCCCCCOC(=O)C 34a_100102657272_100000033007 [0,2,0,0,0,0|1,0,0]=3 4312 B10R0.4 CNCCCCCOC(=O)C 7a_106832991635_100000033007 [0,2,0,0,0,0|1,0,0]=3 4313 B10R0.4 CNCCCOCC=C(C)C 34a_100000213112_100000761012 [0,2,0,0,0,0|2,0,0]=4 4314 B10R0.4 CNCCCOCCC(=O)N 34a_100000213112_100000731001 [0,2,0,0,0,0|2,0,0]=4 4315 B10R0.4 CNCCCOCOC(=O)C 34a_100000213112_100009813279 [0,2,0,0,0,0|1,0,0]=3 4316 B10R0.4 CNCCOCCOC(=O)C 2230a_106832991635_200000083610 [0,2,0,0,0,0|1,0,0]=3 4317 B10R0.4 CNCCOCCOC(=O)C 34a_100102657272_200000083610 [0,2,0,0,0,0|1,0,0]=3 4318 B10R0.4 CNCCOCCOC(=O)C 7a_106832991635_200000083610 [0,2,0,0,0,0|1,0,0]=3 4319 B10R0.4 COCCCCCCC(=O)C 1458a_100000070787_100011998445 [0,2,0,0,0,0|1,1,0]=4 4320 B10R0.4 COCCCCCNC(=O)C 11a_100000747528_100015343762 [0,2,0,0,0,0|1,1,0]=4 4321 B10R0.4 COCCCCCNC(=O)C 1626a_100000747528_100015343762 [0,2,0,0,0,0|1,1,0]=4 4322 B10R0.4 COCCCCCNC(=O)C 240690a_100000747528_100015343762 [0,2,0,0,0,0|1,1,0]=4 4323 B10R0.4 COCCCCCNC(=O)C 527a_100000747528_100103153847 [0,2,0,0,0,0|1,1,0]=4 4324 B10R0.4 COCCCCCOC(=O)C 34a_100138415774_100000033007 [0,2,0,0,0,0|0,1,0]=3 4325 B10R0.4 COCCCCOCC(=O)C 34a_100000211253_100000755781 [0,2,0,0,0,0|0,1,0]=3 4326 B10R0.4 COCCCCOCC(=O)N 34a_100000740925_100000187820 [0,2,0,0,0,0|1,1,0]=4 4327 B10R0.4 COCCCCOCC(=O)[O-] 34a_100000740925_100020667443 [0,2,0,0,0,0|1,1,0]=4 4328 B10R0.4 COCCCNCOC(=O)C 34a_100150723488_100009813279 [0,2,0,0,0,0|0,1,0]=3 4329 B10R0.4 COCCCNOCC(=O)O 269956a_100000106656_100000740836 [0,2,0,0,0,0|1,1,0]=4 4330 B10R0.4 COCCCOCC=C(C)C 34a_100000740835_100000761012 [0,2,0,0,0,0|1,1,0]=4 4331 B10R0.4 COCCCOCC=C(C)C 34a_100000753907_100000740836 [0,2,0,0,0,0|1,1,0]=4 4332 B10R0.4 COCCCOCCC(=O)C 34a_100000759926_100000740836 [0,2,0,0,0,0|0,1,0]=3 4333 B10R0.4 COCCCOCCC(=O)C 7a_100000759926_100000740836 [0,2,0,0,0,0|0,1,0]=3 4334 B10R0.4 COCCCOCCC(=O)N 34a_100000740835_100000731001 [0,2,0,0,0,0|1,1,0]=4 4335 B10R0.4 COCCCOCCC(=O)N 34a_100000757172_100000740836 [0,2,0,0,0,0|1,1,0]=4 4336 B10R0.4 COCCCOCCC(=O)N 7a_100000757172_100000740836 [0,2,0,0,0,0|1,1,0]=4 4337 B10R0.4 COCCCOCOC(=O)C 34a_100000740835_100009813279 [0,2,0,0,0,0|0,1,0]=3 4338 B10R0.4 COCCCSCCC(=O)C 62a_100000053229_100000709357 [0,2,0,0,0,0|0,2,0]=4 4339 B10R0.4 COCCCSCCC(=O)C 62a_100000709357_100000053229 [0,2,0,0,0,0|0,2,0]=4 4340 B10R0.4 COCCCSCOC(=O)C 62a_100000076356_100000709357 [0,2,0,0,0,0|0,1,0]=3 4341 B10R0.4 COCCCSCOC(=O)C 62a_100000709357_100000076356 [0,2,0,0,0,0|0,1,0]=3 4342 B10R0.4 COCCNCCNC(=O)C 2230a_100000209853_100011201679 [0,2,0,0,0,0|1,1,0]=4 4343 B10R0.4 COCCNCCNC(=O)C 2230a_100000209980_100000189650 [0,2,0,0,0,0|1,1,0]=4 4344 B10R0.4 COCCOCCCC(=O)C 1458a_100000070787_100011216529 [0,2,0,0,0,0|1,1,0]=4 4345 B10R0.4 COCCOCCCC(=O)C 34a_100000210237_100000685027 [0,2,0,0,0,0|1,1,0]=4 4346 B10R0.4 COCCOCCCC(=O)C 34a_100000759063_100011201679 [0,2,0,0,0,0|1,1,0]=4 4347 B10R0.4 COCCOCCCC(=O)C 7a_100000759063_100000233755 [0,2,0,0,0,0|1,1,0]=4 4348 B10R0.4 COCCOCCNC(=O)C 11a_100000745349_100015343762 [0,2,0,0,0,0|1,1,0]=4 4349 B10R0.4 COCCOCCNC(=O)C 1626a_100000745349_100015343762 [0,2,0,0,0,0|1,1,0]=4 4350 B10R0.4 COCCOCCNC(=O)C 240690a_100000745349_100015343762 [0,2,0,0,0,0|1,1,0]=4 4351 B10R0.4 COCCOCCNC(=O)C 34a_100000158858_100011201679 [0,2,0,0,0,0|1,1,0]=4 4352 B10R0.4 COCCOCCNC(=O)C 527a_100000745349_100103153847 [0,2,0,0,0,0|1,1,0]=4 4353 B10R0.4 COCCOCCOC(=O)C 34a_100000210237_100009814007 [0,2,0,0,0,0|0,1,0]=3 4354 B10R0.4 COCCOCCOC(=O)C 34a_100138415774_200000083610 [0,2,0,0,0,0|0,1,0]=3 4355 B10R0.4 COCCOCCOC(=O)N 34a_100000210237_200011214921 [0,2,0,0,0,0|1,1,0]=4 4356 B10R0.4 COCCOCCOC(=O)N 7a_100000766696_100000233755 [0,2,0,0,0,0|1,1,0]=4 4357 B10R0.4 COCCSCCCC(=O)C 62a_100000233755_100011215641 [0,2,0,0,0,0|1,1,0]=4 4358 B10R0.4 COCCSCCCC(=O)C 62a_100011215641_100000233755 [0,2,0,0,0,0|1,1,0]=4 4359 B10R0.4 COCCSCCNC(=O)C 62a_100000189650_100000233755 [0,2,0,0,0,0|1,1,0]=4 4360 B10R0.4 COCCSCCNC(=O)C 62a_100000233755_100000189650 [0,2,0,0,0,0|1,1,0]=4 4361 B10R0.4 COCCSCCOC(=O)C 62a_100000233755_100009814007 [0,2,0,0,0,0|0,1,0]=3 4362 B10R0.4 COCCSCCOC(=O)C 62a_100009814007_100000233755 [0,2,0,0,0,0|0,1,0]=3 4363 B10R0.4 COCCSCCOC(=O)N 62a_100000233755_200011214921 [0,2,0,0,0,0|1,1,0]=4 4364 B10R0.4 COCCSCCOC(=O)N 62a_200011214921_100000233755 [0,2,0,0,0,0|1,1,0]=4 4365 B10R0.4 COCNCCOCC(=O)O 269956a_100000700818_100000766300 [0,2,0,0,0,0|1,1,0]=4 4366 B10R0.4 COCSCCCCC(=O)C 62a_100000735457_100000766300 [0,2,0,0,0,0|1,0,0]=3 4367 B10R0.4 COCSCCCCC(=O)C 62a_100000766300_100000735457 [0,2,0,0,0,0|1,0,0]=3 4368 B10R0.4 COCSCCCOC(=O)C 62a_100000042594_100000766300 [0,2,0,0,0,0|0,0,0]=2 4369 B10R0.4 COCSCCCOC(=O)C 62a_100000766300_100000042594 [0,2,0,0,0,0|0,0,0]=2 4370 B10R0.4 COCSCCCOC(=S)C 62a_100000766300_200135323944 [0,2,0,0,0,0|0,1,0]=3 4371 B10R0.4 COCSCCCOC(=S)C 62a_200135323944_100000766300 [0,2,0,0,0,0|0,1,0]=3 4372 B10R0.4 COCSCCCSC(=O)C 62a_100000038929_100000766300 [0,2,0,0,0,0|0,1,0]=3 4373 B10R0.4 COCSCCCSC(=O)C 62a_100000766300_100000038929 [0,2,0,0,0,0|0,1,0]=3 4374 B10R0.4 COCSCCOCC(=O)N 62a_100000076697_100000766300 [0,2,0,0,0,0|1,1,0]=4 4375 B10R0.4 COCSCCOCC(=O)N 62a_100000766300_100000076697 [0,2,0,0,0,0|1,1,0]=4 4376 B10R0.4 CSCCCCCOC(=O)C 62a_100000033007_200000210301 [0,2,0,0,0,0|0,0,0]=2 4377 B10R0.4 CSCCCCCOC(=O)C 62a_200000210301_100000033007 [0,2,0,0,0,0|0,0,0]=2 4378 B10R0.4 CSCCCCOCC(=O)N 34a_100011217163_100000187820 [0,2,0,0,0,0|1,0,0]=3 4379 B10R0.4 CSCCCCOCC(=O)N 7a_100011217163_100000187820 [0,2,0,0,0,0|1,0,0]=3 4380 B10R0.4 CSCCCCOCC(=O)[O-] 34a_100011217163_100020667443 [0,2,0,0,0,0|1,0,0]=3 4381 B10R0.4 CSCCCCOCC(C)C 34a_100011217163_100000210624 [0,2,0,0,0,0|1,0,1]=4 4382 B10R0.4 CSCCCCOCC(C)C 7a_100011217163_100000210760 [0,2,0,0,0,0|1,0,1]=4 4383 B10R0.4 CSCCCCOCC(C)O 34a_100011217163_100011218427 [0,2,0,0,0,0|0,0,2]=4 4384 B10R0.4 CSCCCCOCC(C)O 7a_100011217163_100011218427 [0,2,0,0,0,0|0,0,2]=4 4385 B10R0.4 CSCCCCOC[C@@H](C)O 34a_100011217163_100009817552 [0,2,0,0,0,0|0,0,2]=4 4386 B10R0.4 CSCCCCOC[C@@H](C)O 7a_100011217163_100009817552 [0,2,0,0,0,0|0,0,2]=4 4387 B10R0.4 CSCCCCOC[N+](=O)[O-] 34a_100011217163_100000761209 [0,2,0,0,0,0|2,0,0]=4 4388 B10R0.4 CSCCCNCC=C(C)C 2230a_100000749238_100000761012 [0,2,0,0,0,0|2,0,0]=4 4389 B10R0.4 CSCCCNCCC(=O)N 2230a_100000749238_100000744528 [0,2,0,0,0,0|2,0,0]=4 4390 B10R0.4 CSCCCNCOC(C)C 2230a_100000749238_100000709892 [0,2,0,0,0,0|1,0,1]=4 4391 B10R0.4 CSCCCOCC=C(C)C 34a_100000690336_100000761012 [0,2,0,0,0,0|1,0,0]=3 4392 B10R0.4 CSCCCOCC=C(C)C 7a_100000690336_100000761012 [0,2,0,0,0,0|1,0,0]=3 4393 B10R0.4 CSCCCOCCC(=O)C 7a_100000690336_100000053229 [0,2,0,0,0,0|0,0,0]=2 4394 B10R0.4 CSCCCOCCC(=O)N 34a_100000690336_100000731001 [0,2,0,0,0,0|1,0,0]=3 4395 B10R0.4 CSCCCOCCC(=O)N 7a_100000690336_100000744528 [0,2,0,0,0,0|1,0,0]=3 4396 B10R0.4 CSCCCOCCC(C)C 34a_100000690336_100000210312 [0,2,0,0,0,0|1,0,1]=4 4397 B10R0.4 CSCCCOCCC(C)C 7a_100000690336_100000210626 [0,2,0,0,0,0|1,0,1]=4 4398 B10R0.4 CSCCCOCCC(C)O 34a_100000690336_100012276601 [0,2,0,0,0,0|0,0,2]=4 4399 B10R0.4 CSCCCOCCC(C)O 7a_100000690336_100012276601 [0,2,0,0,0,0|0,0,2]=4 4400 B10R0.4 CSCCCOCCN(C)C 7a_100000690336_100000755713 [0,2,0,0,0,0|2,0,0]=4 4401 B10R0.4 CSCCCOCOC(=O)C 34a_100000690336_100009813279 [0,2,0,0,0,0|0,0,0]=2 4402 B10R0.4 CSCCCOCOC(C)C 34a_100000690336_100000709892 [0,2,0,0,0,0|1,0,1]=4 4403 B10R0.4 CSCCNCCC=C(C)C 2230a_100020590264_100011217483 [0,2,0,0,0,0|2,0,0]=4 4404 B10R0.4 CSCCNCCCC(=O)N 34a_100000739312_100000212216 [0,2,0,0,0,0|2,0,0]=4 4405 B10R0.4 CSCCNCCCS(=O)C 2230a_200000753449_100000751147 [0,2,0,0,0,0|2,0,0]=4 4406 B10R0.4 CSCCNCCNC(=O)C 2230a_100000209853_100000751147 [0,2,0,0,0,0|1,0,0]=3 4407 B10R0.4 CSCCNCCNC(=O)C 2230a_100020590264_100000189650 [0,2,0,0,0,0|1,0,0]=3 4408 B10R0.4 CSCCNCCNC(=O)N 2230a_100020590264_200000034859 [0,2,0,0,0,0|2,0,0]=4 4409 B10R0.4 CSCCNCCNC(=O)N 34a_100020590234_100000212216 [0,2,0,0,0,0|2,0,0]=4 4410 B10R0.4 CSCCNCCOC(C)C 2230a_100000701111_100000751147 [0,2,0,0,0,0|1,0,1]=4 4411 B10R0.4 CSCCNCCOC(C)C 2230a_100020590264_100000211751 [0,2,0,0,0,0|1,0,1]=4 4412 B10R0.4 CSCCNCCOC(C)C 34a_100000701111_100000212216 [0,2,0,0,0,0|1,0,1]=4 4413 B10R0.4 CSCCOCCC=C(C)C 34a_100000230434_100011217483 [0,2,0,0,0,0|2,0,0]=4 4414 B10R0.4 CSCCOCCC=C(C)C 7a_100000230434_100011217483 [0,2,0,0,0,0|2,0,0]=4 4415 B10R0.4 CSCCOCCCC(=O)C 34a_100000230434_100000685027 [0,2,0,0,0,0|1,0,0]=3 4416 B10R0.4 CSCCOCCCC(=O)C 34a_100000759063_100000212216 [0,2,0,0,0,0|1,0,0]=3 4417 B10R0.4 CSCCOCCCC(=O)C 7a_100000230434_100011215641 [0,2,0,0,0,0|1,0,0]=3 4418 B10R0.4 CSCCOCCCC(=O)C 7a_100000759063_100000212216 [0,2,0,0,0,0|1,0,0]=3 4419 B10R0.4 CSCCOCCCC(=O)N 34a_100000230434_100102525003 [0,2,0,0,0,0|2,0,0]=4 4420 B10R0.4 CSCCOCCCC(=O)N 7a_100000230434_100102525003 [0,2,0,0,0,0|2,0,0]=4 4421 B10R0.4 CSCCOCCNC(=O)C 34a_100000158858_100000212216 [0,2,0,0,0,0|1,0,0]=3 4422 B10R0.4 CSCCOCCNC(=O)C 7a_100000230434_100000189650 [0,2,0,0,0,0|1,0,0]=3 4423 B10R0.4 CSCCOCCNC(=O)N 34a_100000181757_100000212216 [0,2,0,0,0,0|2,0,0]=4 4424 B10R0.4 CSCCOCCNC(=O)N 7a_100000230434_200000034859 [0,2,0,0,0,0|2,0,0]=4 4425 B10R0.4 CSCCOCCOC(=O)C 34a_100000230434_100009814007 [0,2,0,0,0,0|0,0,0]=2 4426 B10R0.4 CSCCOCCOC(=O)C 62a_200000083610_200000210301 [0,2,0,0,0,0|0,0,0]=2 4427 B10R0.4 CSCCOCCOC(=O)C 62a_200000210301_200000083610 [0,2,0,0,0,0|0,0,0]=2 4428 B10R0.4 CSCCOCCOC(=O)C 7a_100000230434_100009814007 [0,2,0,0,0,0|0,0,0]=2 4429 B10R0.4 CSCCOCCOC(=O)N 34a_100000230434_200011214921 [0,2,0,0,0,0|1,0,0]=3 4430 B10R0.4 CSCCOCCOC(=O)N 7a_100000230434_200011214921 [0,2,0,0,0,0|1,0,0]=3 4431 B10R0.4 CSCCOCCOC(=O)N 7a_100000766696_100000212216 [0,2,0,0,0,0|1,0,0]=3 4432 B10R0.4 CSCCOCCOC(C)C 34a_100000211219_100000212216 [0,2,0,0,0,0|1,0,1]=4 4433 B10R0.4 CSCCOCCOC(C)C 34a_100000230434_100000211751 [0,2,0,0,0,0|1,0,1]=4 4434 B10R0.4 CSCCOCCOC(C)C 7a_100000211219_100000212216 [0,2,0,0,0,0|1,0,1]=4 4435 B10R0.4 CSCCOCCOC(C)C 7a_100000230434_100000211751 [0,2,0,0,0,0|1,0,1]=4 4436 B10R0.4 CSCCSCCC=C(C)C 62a_100000212216_100011217483 [0,2,0,0,0,0|2,0,0]=4 4437 B10R0.4 CSCCSCCC=C(C)C 62a_100011217483_100000751147 [0,2,0,0,0,0|2,0,0]=4 4438 B10R0.4 CSCCSCCCC(=O)C 62a_100000212216_100011215641 [0,2,0,0,0,0|1,0,0]=3 4439 B10R0.4 CSCCSCCCC(=O)C 62a_100011215641_100000751147 [0,2,0,0,0,0|1,0,0]=3 4440 B10R0.4 CSCCSCCCC(=O)N 62a_100000212216_100102525003 [0,2,0,0,0,0|2,0,0]=4 4441 B10R0.4 CSCCSCCCC(=O)N 62a_100102525003_100000751147 [0,2,0,0,0,0|2,0,0]=4 4442 B10R0.4 CSCCSCCNC(=O)C 62a_100000189650_100000751147 [0,2,0,0,0,0|1,0,0]=3 4443 B10R0.4 CSCCSCCNC(=O)C 62a_100000212216_100000189650 [0,2,0,0,0,0|1,0,0]=3 4444 B10R0.4 CSCCSCCNC(=O)N 62a_100000212216_200000034859 [0,2,0,0,0,0|2,0,0]=4 4445 B10R0.4 CSCCSCCNC(=O)N 62a_200000034859_100000751147 [0,2,0,0,0,0|2,0,0]=4 4446 B10R0.4 CSCCSCCOC(=O)C 62a_100000212216_100009814007 [0,2,0,0,0,0|0,0,0]=2 4447 B10R0.4 CSCCSCCOC(=O)C 62a_100009814007_100000751147 [0,2,0,0,0,0|0,0,0]=2 4448 B10R0.4 CSCCSCCOC(=O)N 62a_100000212216_200011214921 [0,2,0,0,0,0|1,0,0]=3 4449 B10R0.4 CSCCSCCOC(=O)N 62a_200011214921_100000751147 [0,2,0,0,0,0|1,0,0]=3 4450 B10R0.4 CSCCSCCOC(C)C 62a_100000211751_100000751147 [0,2,0,0,0,0|1,0,1]=4 4451 B10R0.4 CSCCSCCOC(C)C 62a_100000212216_100000211751 [0,2,0,0,0,0|1,0,1]=4 4452 B10R0.4 CSCNCCCCC(=O)N 34a_100000696515_100011218213 [0,2,0,0,0,0|2,0,0]=4 4453 B10R0.4 CSCNCCCNC(=O)C 34a_100000736810_100011218213 [0,2,0,0,0,0|1,0,0]=3 4454 B10R0.4 CSCNCCCOC(C)C 2230a_100000737246_100011218213 [0,2,0,0,0,0|1,0,1]=4 4455 B10R0.4 CSCNCCCOC(C)C 34a_100000737246_100011218213 [0,2,0,0,0,0|1,0,1]=4 4456 B10R0.4 CSCNCCOCC(=O)O 269956a_100000700818_100011218213 [0,2,0,0,0,0|1,0,0]=3 4457 B10R0.4 CSCOCCCCC(=O)N 34a_100012022536_100011218213 [0,2,0,0,0,0|2,0,0]=4 4458 B10R0.4 CSCOCCCNC(=O)C 34a_100000752032_100011218213 [0,2,0,0,0,0|1,0,0]=3 4459 B10R0.4 CSCOCCOCC(C)C 34a_100000703358_100011218213 [0,2,0,0,0,0|1,0,1]=4 4460 B10R0.4 CSCSCCCCC(=O)C 62a_100000735457_100011218213 [0,2,0,0,0,0|1,0,0]=3 4461 B10R0.4 CSCSCCCCC(=O)C 62a_100011218213_100000735457 [0,2,0,0,0,0|1,0,0]=3 4462 B10R0.4 CSCSCCCOC(=O)C 62a_100000042594_100011218213 [0,2,0,0,0,0|0,0,0]=2 4463 B10R0.4 CSCSCCCOC(=O)C 62a_100011218213_100000042594 [0,2,0,0,0,0|0,0,0]=2 4464 B10R0.4 CSCSCCCOC(=S)C 62a_100011218213_200135323944 [0,2,0,0,0,0|0,1,0]=3 4465 B10R0.4 CSCSCCCOC(=S)C 62a_200135323944_100011218213 [0,2,0,0,0,0|0,1,0]=3 4466 B10R0.4 CSCSCCCSC(=O)C 62a_100000038929_100011218213 [0,2,0,0,0,0|0,1,0]=3 4467 B10R0.4 CSCSCCCSC(=O)C 62a_100011218213_100000038929 [0,2,0,0,0,0|0,1,0]=3 4468 B10R0.4 CSCSCCOCC(=O)N 62a_100000076697_100011218213 [0,2,0,0,0,0|1,0,0]=3 4469 B10R0.4 CSCSCCOCC(=O)N 62a_100011218213_100000076697 [0,2,0,0,0,0|1,0,0]=3 4470 B10R0.4 N#CSCSCCOC(=O)N 62a_100000211825_200011214921 [0,2,0,0,0,0|1,0,1]=4 4471 B10R0.4 N#CSCSCCOC(=O)N 62a_200011214921_100000211825 [0,2,0,0,0,0|1,0,1]=4 4472 B10R0.4 NC(=O)CCCCCSCF 62a_100009817443_100015361967 [0,2,0,0,0,0|2,0,0]=4 4473 B10R0.4 NC(=O)CCCCCSCF 62a_100015361967_100009817443 [0,2,0,0,0,0|2,0,0]=4 4474 B10R0.4 NC(=O)COCCCCCBr 34a_100000746331_100000187820 [0,2,0,0,0,0|2,0,0]=4 4475 B10R0.4 NC(=O)COCCCCCBr 7a_100000746331_100000187820 [0,2,0,0,0,0|2,0,0]=4 4476 B10R0.4 NC(=O)COCCCCCCl 34a_100000746330_100000187820 [0,2,0,0,0,0|2,0,0]=4 4477 B10R0.4 NC(=O)COCCCCCCl 7a_100000746330_100000187820 [0,2,0,0,0,0|2,0,0]=4 4478 B10R0.4 NC(=O)COCCCCCI 34a_200012148887_100000187820 [0,2,0,0,0,0|2,0,0]=4 4479 B10R0.4 NC(=O)COCCCCCI 7a_200012148887_100000187820 [0,2,0,0,0,0|2,0,0]=4 4480 B10R0.4 NC(=O)OCCNCCCF 34a_100015189416_200011214921 [0,2,0,0,0,0|2,0,0]=4 4481 B10R0.4 NC(=O)OCCOCCCBr 34a_100011217188_200011214921 [0,2,0,0,0,0|2,0,0]=4 4482 B10R0.4 NC(=O)OCCOCCCCl 34a_100000230001_200011214921 [0,2,0,0,0,0|2,0,0]=4 4483 B10R0.4 NC(=O)OCCOCCCF 34a_100000759539_200011214921 [0,2,0,0,0,0|2,0,0]=4 4484 B10R0.4 NC(=O)OCCOCCCF 7a_100000766696_100011934791 [0,2,0,0,0,0|2,0,0]=4 4485 B10R0.4 NC(=O)OCCOCCCO 7a_100000766696_100011215043 [0,2,0,0,0,0|2,0,0]=4 4486 B10R0.4 NC(=O)OCCSCCCF 62a_100011934791_200011214921 [0,2,0,0,0,0|2,0,0]=4 4487 B10R0.4 NC(=O)OCCSCCCF 62a_200011214921_100011934791 [0,2,0,0,0,0|2,0,0]=4 4488 B10R0.4 NC(=O)OCCSCCCO 62a_100011215043_200011214921 [0,2,0,0,0,0|2,0,0]=4 4489 B10R0.4 NC(=O)OCCSCCCO 62a_200011214921_100011215043 [0,2,0,0,0,0|2,0,0]=4 4490 B10R0.4 NCCCCCOCC(=O)N 34a_100000762737_100000187820 [0,2,0,0,0,0|2,0,0]=4 4491 B10R0.4 NCCCCCOCC(=O)[O-] 34a_100000762737_100020667443 [0,2,0,0,0,0|2,0,0]=4 4492 B10R0.4 NCCCOCCOC(=O)N 34a_100000182051_200011214921 [0,2,0,0,0,0|2,0,0]=4 4493 B10R0.4 O=C([O-])COCCCCCBr 34a_100000746331_100020667443 [0,2,0,0,0,0|2,0,0]=4 4494 B10R0.4 O=C([O-])COCCCCCCl 34a_100000746330_100020667443 [0,2,0,0,0,0|2,0,0]=4 4495 B10R0.4 O=C([O-])COCCCCCI 34a_200012148887_100020667443 [0,2,0,0,0,0|2,0,0]=4 4496 B10R0.4 O=[N+]([O-])OCCCCSCF 62a_100015361967_100015694321 [0,2,0,0,0,0|2,0,0]=4 4497 B10R0.4 [13CH3]C(=O)CCCCCCCO 1458a_100011219782_200025704644 [0,2,0,0,0,0|2,0,0]=4 4498 B10R0.4 [13CH3]C(=O)COCCOCCO 1458a_106645077154_200025704644 [0,2,0,0,0,0|2,0,0]=4 4499 B10R0.6 C#CCCSC(C)OC(=O)C 62a_100000688953_100009818208 [0,2,0,0,0,0|1,0,1]=4 4500 B10R0.6 C#CCCSC(C)OC(=O)C 62a_100009818208_100000688953 [0,2,0,0,0,0|1,0,1]=4 4501 B10R0.6 C/C=C/CSC(C)OC(=O)C 62a_100009818208_100102629194 [0,2,0,0,0,0|1,0,1]=4 4502 B10R0.6 C/C=C/CSC(C)OC(=O)C 62a_100102629194_100009818208 [0,2,0,0,0,0|1,0,1]=4 4503 B10R0.6 C=C(C)CC(=O)CCCSC 1458a_100000173376_100000748629 [0,2,0,0,0,0|2,0,0]=4 4504 B10R0.6 C=CCCSC(C)OC(=O)C 62a_100000754431_100009818208 [0,2,0,0,0,0|1,0,1]=4 4505 B10R0.6 C=CCCSC(C)OC(=O)C 62a_100009818208_100000754431 [0,2,0,0,0,0|1,0,1]=4 4506 B10R0.6 CC#CCSC(C)OC(=O)C 62a_100000748600_100009818208 [0,2,0,0,0,0|1,0,1]=4 4507 B10R0.6 CC#CCSC(C)OC(=O)C 62a_100009818208_100000748600 [0,2,0,0,0,0|1,0,1]=4 4508 B10R0.6 CC(=O)CC(=O)OCCS[13CH3] 62a_100000102702_200025704644 [0,2,0,0,0,0|1,0,1]=4 4509 B10R0.6 CC(=O)CC(=O)OCCS[13CH3] 62a_200025704644_100000102702 [0,2,0,0,0,0|1,0,1]=4 4510 B10R0.6 CC(=O)OC(C)SCCC#N 62a_100009818208_100011215226 [0,2,0,0,0,0|2,0,0]=4 4511 B10R0.6 CC(=O)OC(C)SCCC#N 62a_100011215226_100009818208 [0,2,0,0,0,0|2,0,0]=4 4512 B10R0.6 CC(=O)OC(C)SCCCF 62a_100009818208_100011934791 [0,2,0,0,0,0|2,0,0]=4 4513 B10R0.6 CC(=O)OC(C)SCCCF 62a_100011934791_100009818208 [0,2,0,0,0,0|2,0,0]=4 4514 B10R0.6 CC(=O)OC(C)SCCCO 62a_100009818208_100011215043 [0,2,0,0,0,0|2,0,0]=4 4515 B10R0.6 CC(=O)OC(C)SCCCO 62a_100011215043_100009818208 [0,2,0,0,0,0|2,0,0]=4 4516 B10R0.6 CC(=O)OC(C)SCSC#N 62a_100000211825_100009818208 [0,2,0,0,0,0|1,0,1]=4 4517 B10R0.6 CC(=O)OC(C)SCSC#N 62a_100009818208_100000211825 [0,2,0,0,0,0|1,0,1]=4 4518 B10R0.6 CC=CCSC(C)OC(=O)C 62a_100000070051_100009818208 [0,2,0,0,0,0|1,0,1]=4 4519 B10R0.6 CC=CCSC(C)OC(=O)C 62a_100009818208_100000070051 [0,2,0,0,0,0|1,0,1]=4 4520 B10R0.6 CCCCCC(=O)CC(=O)C 1458a_100000070787_200012276598 [0,2,0,0,0,0|2,0,0]=4 4521 B10R0.6 CCCCCC(C)NC(=O)C 11a_100000211957_100015343762 [0,2,0,0,0,0|2,0,0]=4 4522 B10R0.6 CCCCCC(C)NC(=O)C 1626a_100000211957_100015343762 [0,2,0,0,0,0|2,0,0]=4 4523 B10R0.6 CCCCCC(C)NC(=O)C 240690a_100000211957_100015343762 [0,2,0,0,0,0|2,0,0]=4 4524 B10R0.6 CCCCCC(C)NC(=O)C 527a_100000211957_100103153847 [0,2,0,0,0,0|2,0,0]=4 4525 B10R0.6 CCCCSC(C)OC(=O)C 62a_100000210211_100009818208 [0,2,0,0,0,0|1,0,0]=3 4526 B10R0.6 CCCCSC(C)OC(=O)C 62a_100009818208_100000210210 [0,2,0,0,0,0|1,0,0]=3 4527 B10R0.6 CCOCSC(C)OC(=O)C 62a_100000739092_100009818208 [0,2,0,0,0,0|1,1,0]=4 4528 B10R0.6 CCOCSC(C)OC(=O)C 62a_100009818208_100000739092 [0,2,0,0,0,0|1,1,0]=4 4529 B10R0.6 COCCSC(C)OC(=O)C 62a_100000233755_100009818208 [0,2,0,0,0,0|0,1,0]=3 4530 B10R0.6 COCCSC(C)OC(=O)C 62a_100009818208_100000233755 [0,2,0,0,0,0|0,1,0]=3 4531 B10R0.6 CSCCCC(=O)CC(=O)N 1458a_100000173376_100000187820 [0,2,0,0,0,0|2,0,0]=4 4532 B10R0.6 CSCCCC(=O)CC(=O)[O-] 1458a_100000173376_100020667443 [0,2,0,0,0,0|2,0,0]=4 4533 B10R0.6 CSCCOC(=O)CC(=O)C 62a_100000102702_200000210301 [0,2,0,0,0,0|1,0,1]=4 4534 B10R0.6 CSCCOC(=O)CC(=O)C 62a_200000210301_100000102702 [0,2,0,0,0,0|1,0,1]=4 4535 B10R0.6 CSCCOC(C)C=C(C)C 34a_100000717055_100000212216 [0,2,0,0,0,0|2,0,0]=4 4536 B10R0.6 CSCCSC(C)OC(=O)C 62a_100000212216_100009818208 [0,2,0,0,0,0|0,0,0]=2 4537 B10R0.6 CSCCSC(C)OC(=O)C 62a_100009818208_100000751147 [0,2,0,0,0,0|0,0,0]=2 4538 B10R0.6 CSCNCC(O)CC(=O)O 269956a_100011218706_100011218213 [0,2,0,0,0,0|2,0,0]=4 4539 B10R0.6 CSCSCC(=O)NC(=O)C 62a_100011218213_100000183797 [0,2,0,0,0,0|1,0,1]=4 4540 B10R0.22 CCCOCCOS(=O)(=O)C 34a_100000210258_200000036756 [0,2,0,0,0,0|2,0,0]=4 4541 B10R0.22 CCCSCCOS(=O)(=O)C 62a_100000210303_200000036756 [0,2,0,0,0,0|2,0,0]=4 4542 B10R0.22 CCCSCCOS(=O)(=O)C 62a_200000036756_100000210303 [0,2,0,0,0,0|2,0,0]=4 4543 B10R0.22 CCSCCCOC(C)(C)C 34a_100011216438_100000210625 [0,2,0,0,0,0|1,0,1]=4 4544 B10R0.22 COCSCCOS(=O)(=O)C 62a_100000766300_200000036756 [0,2,0,0,0,0|1,1,0]=4 4545 B10R0.22 COCSCCOS(=O)(=O)C 62a_200000036756_100000766300 [0,2,0,0,0,0|1,1,0]=4 4546 B10R0.22 CSCCCCOC(C)(C)C 34a_100011217163_100000210625 [0,2,0,0,0,0|1,0,1]=4 4547 B10R0.22 CSCCCOCC(C)(C)C 34a_100000690336_100011219605 [0,2,0,0,0,0|1,0,1]=4 4548 B10R0.22 CSCCCOCC(C)(C)F 34a_100000690336_100011997219 [0,2,0,0,0,0|1,0,1]=4 4549 B10R0.22 CSCCCOCC(C)(C)O 34a_100000690336_100000764493 [0,2,0,0,0,0|0,0,2]=4 4550 B10R0.22 CSCCCOCC(C)(C)O 7a_100000690336_100000764493 [0,2,0,0,0,0|0,0,2]=4 4551 B10R0.22 CSCCCOCS(=O)(=O)[O-] 34a_100000690336_100009817235 [0,2,0,0,0,0|2,0,0]=4 4552 B10R0.22 CSCCCOC[Si](C)(C)C 7a_100000690336_100000233785 [0,2,0,0,0,0|1,1,0]=4 4553 B10R0.22 CSCCNCCS(=O)(=O)C 2230a_100000740961_100000751147 [0,2,0,0,0,0|2,0,0]=4 4554 B10R0.22 CSCCNCCS(=O)(=O)C 2230a_100020590264_100000731031 [0,2,0,0,0,0|2,0,0]=4 4555 B10R0.22 CSCCNCCS(=O)(=O)C 34a_100000740961_100000212216 [0,2,0,0,0,0|2,0,0]=4 4556 B10R0.22 CSCCOCCS(=O)(=O)C 34a_100000211924_100000212216 [0,2,0,0,0,0|2,0,0]=4 4557 B10R0.22 CSCCOCCS(=O)(=O)C 34a_100000230434_100000731031 [0,2,0,0,0,0|2,0,0]=4 4558 B10R0.22 CSCCOCCS(=O)(=O)C 7a_100000211924_100000212216 [0,2,0,0,0,0|2,0,0]=4 4559 B10R0.22 CSCCOCCS(=O)(=O)C 7a_100000230434_100000230027 [0,2,0,0,0,0|2,0,0]=4 4560 B10R0.22 CSCCSCCS(=O)(=O)C 62a_100000212216_100000230027 [0,2,0,0,0,0|2,0,0]=4 4561 B10R0.22 CSCCSCCS(=O)(=O)C 62a_100000731031_100000751147 [0,2,0,0,0,0|2,0,0]=4 4562 B10R0.22 CSCNCCCS(=O)(=O)C 2230a_100000742409_100011218213 [0,2,0,0,0,0|2,0,0]=4 4563 B10R0.22 CSCNCCCS(=O)(=O)C 34a_100000742409_100011218213 [0,2,0,0,0,0|2,0,0]=4 4564 B10R0.22 CSCNCCNS(=O)(=O)C 34a_100000752411_100011218213 [0,2,0,0,0,0|2,0,0]=4 4565 B10R0.22 CSCNCCOC(C)(C)C 2230a_100000747557_100011218213 [0,2,0,0,0,0|1,0,1]=4 4566 B10R0.22 CSCOCCCS(=O)(=O)C 34a_100000689940_100011218213 [0,2,0,0,0,0|2,0,0]=4 4567 B10R0.22 CSCOCCOC(C)(C)C 34a_100000693234_100011218213 [0,2,0,0,0,0|1,0,1]=4 4568 B10R0.22 CSCSCCCS(=O)(=O)C 62a_100000754308_100011218213 [0,2,0,0,0,0|2,0,0]=4 4569 B10R0.22 CSCSCCCS(=O)(=O)C 62a_100011218213_100000754308 [0,2,0,0,0,0|2,0,0]=4 4570 B10R0.22 CSCSCCNS(=O)(=O)C 62a_100000754112_100011218213 [0,2,0,0,0,0|2,0,0]=4 4571 B10R0.22 CSCSCCNS(=O)(=O)C 62a_100011218213_100000754112 [0,2,0,0,0,0|2,0,0]=4 4572 B10R0.22 CSCSCCOS(=O)(=O)C 62a_100011218213_200000036756 [0,2,0,0,0,0|1,0,0]=3 4573 B10R0.22 CSCSCCOS(=O)(=O)C 62a_200000036756_100011218213 [0,2,0,0,0,0|1,0,0]=3 4574 B10R0.22 CSCSCCO[Si](C)(C)C 62a_100011218213_200000032530 [0,2,0,0,0,0|1,1,0]=4 4575 B10R0.22 CSCSCCO[Si](C)(C)C 62a_200000032530_100011218213 [0,2,0,0,0,0|1,1,0]=4 4576 B10R0.55 C#CC(=O)CCCOC(=O)C 1458a_100000211873_100000042594 [0,2,0,0,0,0|1,0,1]=4 4577 B10R0.55 C#CC(C)NCCOC(=O)C 34a_100000707721_100009814007 [0,2,0,0,0,0|1,0,1]=4 4578 B10R0.55 C#CC(C)SCCOC(=O)C 62a_200000035995_100009814007 [0,2,0,0,0,0|1,0,1]=4 4579 B10R0.55 C#C[C@@H](C)OCCOC(=O)C 34a_100009815206_100009814007 [0,2,0,0,0,0|1,0,1]=4 4580 B10R0.55 C#C[C@@H](C)OCCOC(=O)C 7a_100009815206_100009814007 [0,2,0,0,0,0|1,0,1]=4 4581 B10R0.55 C=C(C)COCCC(C)CC 7a_100011215188_100000748629 [0,2,0,0,0,0|2,0,0]=4 4582 B10R0.55 C=C(C)COCCC(C)OC 7a_100000764861_100000748629 [0,2,0,0,0,0|1,1,0]=4 4583 B10R0.55 C=C(C)CSCOC(=O)OC 62a_100000748629_100000139417 [0,2,0,0,0,0|2,0,0]=4 4584 B10R0.55 C=CC(=O)CCCOC(=O)C 1458a_100000185746_100000042594 [0,2,0,0,0,0|1,0,1]=4 4585 B10R0.55 C=CC(C)COCOC(=O)C 34a_100011215527_100009813279 [0,2,0,0,0,0|1,0,1]=4 4586 B10R0.55 C=CC(C)OCCOC(=O)C 34a_100000695699_100009814007 [0,2,0,0,0,0|1,0,1]=4 4587 B10R0.55 C=CC(C)SCCOC(=O)C 62a_100011215867_100009814007 [0,2,0,0,0,0|1,0,1]=4 4588 B10R0.55 C=CC(O)CSCOC(=O)C 62a_100000076356_100000730141 [0,2,0,0,0,0|1,0,1]=4 4589 B10R0.55 C=CC(O)CSCOC(=O)C 62a_100000730141_100000076356 [0,2,0,0,0,0|1,0,1]=4 4590 B10R0.55 C=C[C@H](N)COCOC(=O)C 34a_100016989147_100009813279 [0,2,0,0,0,0|1,0,1]=4 4591 B10R0.55 CC(=O)CCCCC(=O)CO 1458a_100000210174_100000735457 [0,2,0,0,0,0|2,0,0]=4 4592 B10R0.55 CC(=O)NCCCC(=O)CF 1458a_100000194741_100015361967 [0,2,0,0,0,0|2,0,0]=4 4593 B10R0.55 CC(=O)OCCCC(=O)CO 1458a_100000210174_100000042594 [0,2,0,0,0,0|1,0,0]=3 4594 B10R0.55 CC(=O)OCCNC(=O)CO 240690a_100000724843_100000210174 [0,2,0,0,0,0|2,0,0]=4 4595 B10R0.55 CC(=O)OCCNC(=O)CO 527a_100000724843_100000210174 [0,2,0,0,0,0|2,0,0]=4 4596 B10R0.55 CC(=O)OCCOC(C)C#N 34a_100011218135_100009814007 [0,2,0,0,0,0|2,0,0]=4 4597 B10R0.55 CC(=O)OCCOC(C)CF 34a_100016041109_100009814007 [0,2,0,0,0,0|2,0,0]=4 4598 B10R0.55 CC(=O)OCCOC(C)CF 7a_100016041109_100009814007 [0,2,0,0,0,0|2,0,0]=4 4599 B10R0.55 CC(=O)OCCOC(C)CN 34a_100000210904_100009814007 [0,2,0,0,0,0|2,0,0]=4 4600 B10R0.55 CC(=O)OCCSC(C)C#N 62a_100000703298_100009814007 [0,2,0,0,0,0|2,0,0]=4 4601 B10R0.55 CC(=O)OCCSC(C)C#N 62a_100009814007_100000703298 [0,2,0,0,0,0|2,0,0]=4 4602 B10R0.55 CC(=O)OCCSC(C)CO 62a_100012180447_100009814007 [0,2,0,0,0,0|2,0,0]=4 4603 B10R0.55 CC(=O)OCCSC(F)C#N 62a_100009814007_200000117898 [0,2,0,0,0,0|2,0,0]=4 4604 B10R0.55 CC(=O)OCCSC(F)C#N 62a_200000117898_100009814007 [0,2,0,0,0,0|2,0,0]=4 4605 B10R0.55 CC(=O)OCCS[C@H](C)CO 62a_100009814007_100016084084 [0,2,0,0,0,0|2,0,0]=4 4606 B10R0.55 CC(=O)OCCS[C@H](C)CO 62a_100016084084_100009814007 [0,2,0,0,0,0|2,0,0]=4 4607 B10R0.55 CC(=O)OCNCC(C)CO 34a_100000744482_100009813279 [0,2,0,0,0,0|2,0,0]=4 4608 B10R0.55 CC(=O)OCNC[C@@H](F)CO 34a_100015665980_100009813279 [0,2,0,0,0,0|2,0,0]=4 4609 B10R0.55 CC(=O)OCOCC(C)CN 34a_100000744482_100009813279 [0,2,0,0,0,0|2,0,0]=4 4610 B10R0.55 CC(=O)OCOCC(Cl)CCl 34a_100000033668_100009813279 [0,2,0,0,0,0|2,0,0]=4 4611 B10R0.55 CC(=O)OCOC[C@H](F)CN 34a_100015665980_100009813279 [0,2,0,0,0,0|2,0,0]=4 4612 B10R0.55 CC(=O)OCSCC(O)CO 62a_100000076356_100011219619 [0,2,0,0,0,0|2,0,0]=4 4613 B10R0.55 CC(=O)OCSCC(O)CO 62a_100011219619_100000076356 [0,2,0,0,0,0|2,0,0]=4 4614 B10R0.55 CC(=O)OCSC[C@@H](C)CO 62a_100000059175_100000076356 [0,2,0,0,0,0|2,0,0]=4 4615 B10R0.55 CC(=O)OCSC[C@@H](C)CO 62a_100000076356_100000059175 [0,2,0,0,0,0|2,0,0]=4 4616 B10R0.55 CC(=O)OCSC[C@@H](O)CF 62a_100000076356_100015614560 [0,2,0,0,0,0|2,0,0]=4 4617 B10R0.55 CC(=O)OCSC[C@@H](O)CF 62a_100015614560_100000076356 [0,2,0,0,0,0|2,0,0]=4 4618 B10R0.55 CC(=O)OCSC[C@@H](O)CO 62a_100000076356_100009815848 [0,2,0,0,0,0|2,0,0]=4 4619 B10R0.55 CC(=O)OCSC[C@@H](O)CO 62a_100009815848_100000076356 [0,2,0,0,0,0|2,0,0]=4 4620 B10R0.55 CC(=O)SCCCC(=O)CO 1458a_100000210174_100000038929 [0,2,0,0,0,0|1,1,0]=4 4621 B10R0.55 CC(=S)OCCCC(=O)CO 1458a_100000210174_200135323944 [0,2,0,0,0,0|1,1,0]=4 4622 B10R0.55 CC(C)CCCCC(=O)CF 1458a_100011933920_100015361967 [0,2,0,0,0,0|2,0,0]=4 4623 B10R0.55 CC(C)CCCCC(=O)CO 1458a_100000210174_100011216152 [0,2,0,0,0,0|2,0,0]=4 4624 B10R0.55 CC(C)CCCNC(=O)CO 240690a_200000737386_100000210174 [0,2,0,0,0,0|2,0,0]=4 4625 B10R0.55 CC(C)CCCNC(=O)CO 527a_200000737386_100000210174 [0,2,0,0,0,0|2,0,0]=4 4626 B10R0.55 CCC(=O)CCCCC(=O)C 1458a_100000210414_100000735457 [0,2,0,0,0,0|2,0,0]=4 4627 B10R0.55 CCC(=O)CCCCC(C)C 1458a_100000210414_100011216152 [0,2,0,0,0,0|2,0,0]=4 4628 B10R0.55 CCC(=O)CCCCC(C)C 1458a_100011933920_100000210202 [0,2,0,0,0,0|2,0,0]=4 4629 B10R0.55 CCC(=O)CCCNC(=O)C 1458a_100000194741_100000210202 [0,2,0,0,0,0|2,0,0]=4 4630 B10R0.55 CCC(=O)CCCOC(=O)C 1458a_100000210414_100000042594 [0,2,0,0,0,0|1,0,0]=3 4631 B10R0.55 CCC(=O)CCCOC(=S)C 1458a_100000210414_200135323944 [0,2,0,0,0,0|1,1,0]=4 4632 B10R0.55 CCC(=O)CCCSC(=O)C 1458a_100000210414_100000038929 [0,2,0,0,0,0|1,1,0]=4 4633 B10R0.55 CCC(=O)COCOC(=O)C 34a_100000725409_100009813279 [0,2,0,0,0,0|1,0,1]=4 4634 B10R0.55 CCC(=O)CSCOC(=O)C 62a_100000076356_100000747405 [0,2,0,0,0,0|1,0,1]=4 4635 B10R0.55 CCC(=O)CSCOC(=O)C 62a_100000747405_100000076356 [0,2,0,0,0,0|1,0,1]=4 4636 B10R0.55 CCC(=O)NCCCC(C)C 11a_200000737386_100000210414 [0,2,0,0,0,0|2,0,0]=4 4637 B10R0.55 CCC(=O)NCCCC(C)C 1626a_200000737386_100000210414 [0,2,0,0,0,0|2,0,0]=4 4638 B10R0.55 CCC(=O)NCCCC(C)C 240690a_200000737386_100000210414 [0,2,0,0,0,0|2,0,0]=4 4639 B10R0.55 CCC(=O)NCCCC(C)C 527a_200000737386_100000210414 [0,2,0,0,0,0|2,0,0]=4 4640 B10R0.55 CCC(=O)NCCCN(C)C 240690a_102531767803_100000210414 [0,2,0,0,0,0|2,0,0]=4 4641 B10R0.55 CCC(=O)NCCCN(C)C 527a_102531767803_100000210414 [0,2,0,0,0,0|2,0,0]=4 4642 B10R0.55 CCC(=O)NCCCS(=O)C 11a_200000753449_100000210414 [0,2,0,0,0,0|1,0,1]=4 4643 B10R0.55 CCC(=O)NCCCS(=O)C 240690a_200000753449_100000210414 [0,2,0,0,0,0|1,0,1]=4 4644 B10R0.55 CCC(=O)NCCCS(=O)C 527a_200000753449_100000210414 [0,2,0,0,0,0|1,0,1]=4 4645 B10R0.55 CCC(=O)NCCOC(=O)C 11a_100000724843_100000210414 [0,2,0,0,0,0|1,0,1]=4 4646 B10R0.55 CCC(=O)NCCOC(=O)C 240690a_100000724843_100000210414 [0,2,0,0,0,0|1,0,1]=4 4647 B10R0.55 CCC(=O)NCCOC(=O)C 527a_100000724843_100000210414 [0,2,0,0,0,0|1,0,1]=4 4648 B10R0.55 CCC(=O)OCCOC(C)C 7a_200000031056_100000210206 [0,2,0,0,0,0|2,0,0]=4 4649 B10R0.55 CCC(C)CCOCC(=O)N 7a_100011215188_100000187820 [0,2,0,0,0,0|2,0,0]=4 4650 B10R0.55 CCC(C)COCCC(=O)C 34a_100000759926_100000748023 [0,2,0,0,0,0|2,0,0]=4 4651 B10R0.55 CCC(C)COCCC(=O)C 7a_100000759926_100000748023 [0,2,0,0,0,0|2,0,0]=4 4652 B10R0.55 CCC(C)CSCCC(=O)C 62a_100000053229_100000748023 [0,2,0,0,0,0|2,0,0]=4 4653 B10R0.55 CCC(C)CSCCC(=O)C 62a_100000748023_100000053229 [0,2,0,0,0,0|2,0,0]=4 4654 B10R0.55 CCC(C)CSCOC(=O)C 62a_100000076356_100000748023 [0,2,0,0,0,0|1,0,0]=3 4655 B10R0.55 CCC(C)CSCOC(=O)C 62a_100000748023_100000076356 [0,2,0,0,0,0|1,0,0]=3 4656 B10R0.55 CCC(C)NCCNC(=O)C 2230a_100000209853_100000758301 [0,2,0,0,0,0|2,0,0]=4 4657 B10R0.55 CCC(C)NCCNC(=O)C 2230a_100000209981_100000189650 [0,2,0,0,0,0|2,0,0]=4 4658 B10R0.55 CCC(C)OCCCC(=O)C 34a_100000759063_100011215416 [0,2,0,0,0,0|2,0,0]=4 4659 B10R0.55 CCC(C)OCCCC(=O)C 7a_100000210228_100011215641 [0,2,0,0,0,0|2,0,0]=4 4660 B10R0.55 CCC(C)OCCCC(=O)C 7a_100000759063_100000758301 [0,2,0,0,0,0|2,0,0]=4 4661 B10R0.55 CCC(C)OCCNC(=O)C 34a_100000158858_100011215416 [0,2,0,0,0,0|2,0,0]=4 4662 B10R0.55 CCC(C)OCCNC(=O)C 7a_100000210228_100000189650 [0,2,0,0,0,0|2,0,0]=4 4663 B10R0.55 CCC(C)OCCOC(=O)C 7a_100000210228_100009814007 [0,2,0,0,0,0|1,0,0]=3 4664 B10R0.55 CCC(C)OCCOC(=O)N 7a_100000210228_200011214921 [0,2,0,0,0,0|2,0,0]=4 4665 B10R0.55 CCC(C)OCCOC(=O)N 7a_100000766696_100000758301 [0,2,0,0,0,0|2,0,0]=4 4666 B10R0.55 CCC(C)SCCCC(=O)C 62a_100000758301_100011215641 [0,2,0,0,0,0|2,0,0]=4 4667 B10R0.55 CCC(C)SCCCC(=O)C 62a_100011215641_100000758301 [0,2,0,0,0,0|2,0,0]=4 4668 B10R0.55 CCC(C)SCCNC(=O)C 62a_100000189650_100000758301 [0,2,0,0,0,0|2,0,0]=4 4669 B10R0.55 CCC(C)SCCNC(=O)C 62a_100000758301_100000189650 [0,2,0,0,0,0|2,0,0]=4 4670 B10R0.55 CCC(C)SCCOC(=O)C 62a_100000758301_100009814007 [0,2,0,0,0,0|1,0,0]=3 4671 B10R0.55 CCC(C)SCCOC(=O)C 62a_100009814007_100000758301 [0,2,0,0,0,0|1,0,0]=3 4672 B10R0.55 CCC(C)SCCOC(=O)N 62a_100000758301_200011214921 [0,2,0,0,0,0|2,0,0]=4 4673 B10R0.55 CCC(C)SCCOC(=O)N 62a_200011214921_100000758301 [0,2,0,0,0,0|2,0,0]=4 4674 B10R0.55 CCC(O)COCCC(=O)C 34a_100000759926_100011218378 [0,2,0,0,0,0|2,0,0]=4 4675 B10R0.55 CCC(O)COCCC(=O)C 7a_100000759926_100011218378 [0,2,0,0,0,0|2,0,0]=4 4676 B10R0.55 CCC(O)CSCCC(=O)C 62a_100000053229_100011218378 [0,2,0,0,0,0|2,0,0]=4 4677 B10R0.55 CCC(O)CSCCC(=O)C 62a_100011218378_100000053229 [0,2,0,0,0,0|2,0,0]=4 4678 B10R0.55 CCC(O)CSCOC(=O)C 62a_100000076356_100011218378 [0,2,0,0,0,0|1,0,0]=3 4679 B10R0.55 CCC(O)CSCOC(=O)C 62a_100011218378_100000076356 [0,2,0,0,0,0|1,0,0]=3 4680 B10R0.55 CCN(C)CCCCC(=O)C 269982a_100000225621_100000735457 [0,2,0,0,0,0|2,0,0]=4 4681 B10R0.55 CCN(C)CCCOC(=O)C 269982a_100000225621_100000042594 [0,2,0,0,0,0|1,0,0]=3 4682 B10R0.55 CCN(C)CCCOC(=S)C 2230a_100000225621_200135323944 [0,2,0,0,0,0|1,1,0]=4 4683 B10R0.55 CCN(C)CCCOC(=S)C 269982a_100000225621_200135323944 [0,2,0,0,0,0|1,1,0]=4 4684 B10R0.55 CCN(C)CCCSC(=O)C 2230a_100000225621_100000038929 [0,2,0,0,0,0|1,1,0]=4 4685 B10R0.55 CCN(C)CCCSC(=O)C 269982a_100000225621_100000038929 [0,2,0,0,0,0|1,1,0]=4 4686 B10R0.55 CC[C@H](C)COCCC(=O)C 34a_100000759926_100009816398 [0,2,0,0,0,0|2,0,0]=4 4687 B10R0.55 CC[C@H](C)COCCC(=O)C 7a_100000759926_100009816398 [0,2,0,0,0,0|2,0,0]=4 4688 B10R0.55 CC[C@H](C)COCCC(=O)C 7a_100009816381_100000053229 [0,2,0,0,0,0|2,0,0]=4 4689 B10R0.55 CC[C@H](C)CSCCC(=O)C 62a_100000053229_100009816398 [0,2,0,0,0,0|2,0,0]=4 4690 B10R0.55 CC[C@H](C)CSCCC(=O)C 62a_100009816398_100000053229 [0,2,0,0,0,0|2,0,0]=4 4691 B10R0.55 CC[C@H](C)CSCOC(=O)C 62a_100000076356_100009816398 [0,2,0,0,0,0|1,0,0]=3 4692 B10R0.55 CC[C@H](C)CSCOC(=O)C 62a_100009816398_100000076356 [0,2,0,0,0,0|1,0,0]=3 4693 B10R0.55 CN(C)CCCNC(=O)CO 240690a_102531767803_100000210174 [0,2,0,0,0,0|2,0,0]=4 4694 B10R0.55 CN(C)CCCNC(=O)CO 527a_102531767803_100000210174 [0,2,0,0,0,0|2,0,0]=4 4695 B10R0.55 CNC(=O)CCCCC(C)C 11a_106832991635_100011933920 [0,2,0,0,0,0|2,0,0]=4 4696 B10R0.55 CNC(=O)CCCCC(C)C 1626a_100102657272_100011933920 [0,2,0,0,0,0|2,0,0]=4 4697 B10R0.55 CNC(=O)CCCCC(C)C 240690a_100102657272_100011933920 [0,2,0,0,0,0|2,0,0]=4 4698 B10R0.55 CNC(=O)CCCCC(C)C 527a_100102657272_100011933920 [0,2,0,0,0,0|2,0,0]=4 4699 B10R0.55 CNC(=O)CCCCN(C)C 11a_106832991635_100000751710 [0,2,0,0,0,0|2,0,0]=4 4700 B10R0.55 CNC(=O)CCCCN(C)C 240690a_100102657272_100000751710 [0,2,0,0,0,0|2,0,0]=4 4701 B10R0.55 CNC(=O)CCCCN(C)C 527a_100102657272_100000751710 [0,2,0,0,0,0|2,0,0]=4 4702 B10R0.55 CNC(=O)CCCNC(=O)C 11a_100000740002_100015343762 [0,2,0,0,0,0|2,0,0]=4 4703 B10R0.55 CNC(=O)CCCNC(=O)C 11a_106832991635_100000194741 [0,2,0,0,0,0|2,0,0]=4 4704 B10R0.55 CNC(=O)CCCNC(=O)C 1626a_100102657272_100000194741 [0,2,0,0,0,0|2,0,0]=4 4705 B10R0.55 CNC(=O)CCCNC(=O)C 240690a_100000740002_100015343762 [0,2,0,0,0,0|2,0,0]=4 4706 B10R0.55 CNC(=O)CCCNC(=O)C 240690a_100102657272_100000194741 [0,2,0,0,0,0|2,0,0]=4 4707 B10R0.55 CNC(=O)CCCNC(=O)C 527a_100000740002_100103153847 [0,2,0,0,0,0|2,0,0]=4 4708 B10R0.55 CNC(=O)CCCNC(=O)C 527a_100102657272_100000194741 [0,2,0,0,0,0|2,0,0]=4 4709 B10R0.55 CNC(=O)CCOCC(=O)C 34a_100000211253_100012179268 [0,2,0,0,0,0|1,0,1]=4 4710 B10R0.55 CNC(=O)COCOC(=O)C 34a_100000750040_100009813279 [0,2,0,0,0,0|1,0,1]=4 4711 B10R0.55 CNC(=O)CSCOC(=O)C 62a_100000076356_100000183359 [0,2,0,0,0,0|1,0,1]=4 4712 B10R0.55 CNC(=O)CSCOC(=O)C 62a_100000183359_100000076356 [0,2,0,0,0,0|1,0,1]=4 4713 B10R0.55 CNC(=O)NCCCC(C)C 2708a_100102657272_200000737386 [0,2,0,0,0,0|2,0,0]=4 4714 B10R0.55 CNC(=O)NCCCC(C)C 2708a_200000737386_106832991635 [0,2,0,0,0,0|2,0,0]=4 4715 B10R0.55 CNC(=O)NCCCC(C)C 273464a_100102657272_200000737386 [0,2,0,0,0,0|2,0,0]=4 4716 B10R0.55 CNC(=O)NCCCC(C)C 273464a_200000737386_100102657272 [0,2,0,0,0,0|2,0,0]=4 4717 B10R0.55 CNC(=O)NCCCC(C)C 512a_106832991638_200000737386 [0,2,0,0,0,0|2,0,0]=4 4718 B10R0.55 CNC(=O)NCCCC(C)C 512a_200000737386_100102657272 [0,2,0,0,0,0|2,0,0]=4 4719 B10R0.55 CNC(=O)NCCCN(C)C 2708a_100102657272_102531767803 [0,2,0,0,0,0|2,0,0]=4 4720 B10R0.55 CNC(=O)NCCCN(C)C 273464a_100102657272_102531767803 [0,2,0,0,0,0|2,0,0]=4 4721 B10R0.55 CNC(=O)NCCCN(C)C 273464a_102531767803_100102657272 [0,2,0,0,0,0|2,0,0]=4 4722 B10R0.55 CNC(=O)NCCCN(C)C 512a_102531767803_100102657272 [0,2,0,0,0,0|2,0,0]=4 4723 B10R0.55 CNC(=O)NCCCN(C)C 512a_106832991638_102531767803 [0,2,0,0,0,0|2,0,0]=4 4724 B10R0.55 CNC(=O)NCCCS(=O)C 2708a_100102657272_200000753449 [0,2,0,0,0,0|1,0,1]=4 4725 B10R0.55 CNC(=O)NCCCS(=O)C 2708a_200000753449_106832991635 [0,2,0,0,0,0|1,0,1]=4 4726 B10R0.55 CNC(=O)NCCCS(=O)C 273464a_100102657272_200000753449 [0,2,0,0,0,0|1,0,1]=4 4727 B10R0.55 CNC(=O)NCCCS(=O)C 273464a_200000753449_100102657272 [0,2,0,0,0,0|1,0,1]=4 4728 B10R0.55 CNC(=O)NCCCS(=O)C 512a_106832991638_200000753449 [0,2,0,0,0,0|1,0,1]=4 4729 B10R0.55 CNC(=O)NCCCS(=O)C 512a_200000753449_100102657272 [0,2,0,0,0,0|1,0,1]=4 4730 B10R0.55 CNC(=O)NCCOC(=O)C 2708a_100102657272_100000724843 [0,2,0,0,0,0|1,0,1]=4 4731 B10R0.55 CNC(=O)NCCOC(=O)C 273464a_100000724843_100102657272 [0,2,0,0,0,0|1,0,1]=4 4732 B10R0.55 CNC(=O)NCCOC(=O)C 273464a_100102657272_100000724843 [0,2,0,0,0,0|1,0,1]=4 4733 B10R0.55 CNC(=O)NCCOC(=O)C 512a_100000724843_100102657272 [0,2,0,0,0,0|1,0,1]=4 4734 B10R0.55 CNC(=O)NCCOC(=O)C 512a_106832991638_100000724843 [0,2,0,0,0,0|1,0,1]=4 4735 B10R0.55 CNC(=O)OCCNC(C)C 34a_100138425928_200011997002 [0,2,0,0,0,0|2,0,0]=4 4736 B10R0.55 CNC(=O)OCCOC(C)C 34a_100000212225_200011997002 [0,2,0,0,0,0|2,0,0]=4 4737 B10R0.55 CNC(=O)OCCSC(C)C 62a_100000210206_200011997002 [0,2,0,0,0,0|2,0,0]=4 4738 B10R0.55 CNC(=O)OCCSC(C)C 62a_200011997002_100000210206 [0,2,0,0,0,0|2,0,0]=4 4739 B10R0.55 COC(=O)CCCCC(=O)C 1458a_100000070787_100000204269 [0,2,0,0,0,0|1,1,0]=4 4740 B10R0.55 COC(=O)CCCCC(=O)C 1458a_100000695723_200000210301 [0,2,0,0,0,0|1,1,0]=4 4741 B10R0.55 COC(=O)CCCCC(=O)[13CH3] 1458a_100000695723_200025704644 [0,2,0,0,0,0|1,1,0]=4 4742 B10R0.55 COC(=O)CCCCN(C)C 2230a_100102631434_100000204269 [0,2,0,0,0,0|2,0,0]=4 4743 B10R0.55 COC(=O)CCCCN(C)C 269982a_100102631434_100000204269 [0,2,0,0,0,0|2,0,0]=4 4744 B10R0.55 COC(=O)CCCNC(=O)C 188690a_100000184769_100015343762 [0,2,0,0,0,0|1,1,0]=4 4745 B10R0.55 COC(=O)CCOCC(=O)C 34a_100000211253_100000742370 [0,2,0,0,0,0|0,1,1]=4 4746 B10R0.55 COC(=O)CSCOC(=O)C 62a_100000076356_100000747449 [0,2,0,0,0,0|0,1,1]=4 4747 B10R0.55 COC(=O)CSCOC(=O)C 62a_100000747449_100000076356 [0,2,0,0,0,0|0,1,1]=4 4748 B10R0.55 COC(=O)NCCCC(=O)C 1458a_100000753017_200000210301 [0,2,0,0,0,0|2,0,0]=4 4749 B10R0.55 COC(=O)NCCCC(=O)[13CH3] 1458a_100000753017_200025704644 [0,2,0,0,0,0|2,0,0]=4 4750 B10R0.55 COC(=O)OCCOC(C)C 34a_100010262106_100000210206 [0,2,0,0,0,0|2,0,0]=4 4751 B10R0.55 COC(=O)OCSCC(C)C 62a_100000210624_100000139417 [0,2,0,0,0,0|2,0,0]=4 4752 B10R0.55 COC(=O)OCSCC(C)O 62a_100011218427_100000139417 [0,2,0,0,0,0|2,0,0]=4 4753 B10R0.55 COC(=O)OCSC[C@@H](C)O 62a_100009817552_100000139417 [0,2,0,0,0,0|2,0,0]=4 4754 B10R0.55 COC(C)CCOCC(=O)N 7a_100000764861_100000187820 [0,2,0,0,0,0|1,1,0]=4 4755 B10R0.55 COC(C)COCOC(=O)C 34a_100000690652_100009813279 [0,2,0,0,0,0|0,1,0]=3 4756 B10R0.55 COC(C)SCCCC(=O)C 62a_100009879195_100011215641 [0,2,0,0,0,0|1,1,0]=4 4757 B10R0.55 COC(C)SCCCC(=O)C 62a_100011215641_100009879195 [0,2,0,0,0,0|1,1,0]=4 4758 B10R0.55 COC(C)SCCNC(=O)C 62a_100000189650_100009879195 [0,2,0,0,0,0|1,1,0]=4 4759 B10R0.55 COC(C)SCCNC(=O)C 62a_100009879195_100000189650 [0,2,0,0,0,0|1,1,0]=4 4760 B10R0.55 COC(C)SCCOC(=O)C 62a_100009814007_100009879195 [0,2,0,0,0,0|0,1,0]=3 4761 B10R0.55 COC(C)SCCOC(=O)C 62a_100009879195_100009814007 [0,2,0,0,0,0|0,1,0]=3 4762 B10R0.55 COC(C)SCCOC(=O)N 62a_100009879195_200011214921 [0,2,0,0,0,0|1,1,0]=4 4763 B10R0.55 COC(C)SCCOC(=O)N 62a_200011214921_100009879195 [0,2,0,0,0,0|1,1,0]=4 4764 B10R0.55 CS(=O)CCCNC(=O)CO 240690a_200000753449_100000210174 [0,2,0,0,0,0|1,0,1]=4 4765 B10R0.55 CS(=O)CCCNC(=O)CO 527a_200000753449_100000210174 [0,2,0,0,0,0|1,0,1]=4 4766 B10R0.55 CSC(C)CC=NNC(=O)C 4a_100000189765_100000036020 [0,2,0,0,0,0|1,0,1]=4 4767 B10R0.74 C#C/C(=C\COCCSC)/C 34a_100016990848_100000212216 [0,2,0,0,0,0|2,0,0]=4 4768 B10R0.74 C#CC(C)OCCCCSC 34a_100011217163_200000035995 [0,2,0,0,0,0|1,0,1]=4 4769 B10R0.74 C#CC(C)OCCCSCC 34a_100011216438_200000035995 [0,2,0,0,0,0|1,0,1]=4 4770 B10R0.74 C#CCCCOCC(=O)CC 34a_100000725409_100000695029 [0,2,0,0,0,0|1,0,1]=4 4771 B10R0.74 C#CCCCOCC(=O)CC 7a_100000215630_100000747405 [0,2,0,0,0,0|1,0,1]=4 4772 B10R0.74 C#CCCCOCC(=O)NC 34a_100000215630_100000183359 [0,2,0,0,0,0|1,0,1]=4 4773 B10R0.74 C#CCCCOCC(=O)NC 34a_100000750040_100000695029 [0,2,0,0,0,0|1,0,1]=4 4774 B10R0.74 C#CCCCOCC(=O)NC 7a_100000215630_100000183359 [0,2,0,0,0,0|1,0,1]=4 4775 B10R0.74 C#CCCCOCC(=O)OC 34a_100000215630_100000747449 [0,2,0,0,0,0|1,0,1]=4 4776 B10R0.74 C#CCCCOCC(=O)OC 7a_100000215630_100000747449 [0,2,0,0,0,0|1,0,1]=4 4777 B10R0.74 C#CCCSCOC(=O)OC 62a_100000688953_100000139417 [0,2,0,0,0,0|1,0,1]=4 4778 B10R0.74 C#CCNCCOC(=O)NC 34a_100000212058_200011997002 [0,2,0,0,0,0|1,0,1]=4 4779 B10R0.74 C#CCOCCOC(=O)CC 7a_200000031056_100000038162 [0,2,0,0,0,0|1,0,1]=4 4780 B10R0.74 C#CCOCCOC(=O)NC 34a_100000210247_200011997002 [0,2,0,0,0,0|1,0,1]=4 4781 B10R0.74 C#CCOCCOC(=O)OC 34a_100010262106_100000184674 [0,2,0,0,0,0|1,0,1]=4 4782 B10R0.74 C#CCSCCOC(=O)NC 62a_100000038162_200011997002 [0,2,0,0,0,0|1,0,1]=4 4783 B10R0.74 C/C=C/CCOCC(=O)NC 34a_100016278192_100000183359 [0,2,0,0,0,0|1,0,1]=4 4784 B10R0.74 C/C=C/CCOCC(=O)OC 34a_100016278192_100000747449 [0,2,0,0,0,0|1,0,1]=4 4785 B10R0.74 C/C=C/CSCOC(=O)OC 62a_100102629194_100000139417 [0,2,0,0,0,0|1,0,1]=4 4786 B10R0.74 C=C(C#N)COCCCSC 34a_100000690336_100000694840 [0,2,0,0,0,0|1,0,1]=4 4787 B10R0.74 C=CC(=O)NCCNCSC 2230a_114873766552_100011218213 [0,2,0,0,0,0|1,0,1]=4 4788 B10R0.74 C=CC(=O)NCCOCSC 34a_100011304386_100011218213 [0,2,0,0,0,0|1,0,1]=4 4789 B10R0.74 C=CC(=O)OCCOCCC 34a_100000210258_100009813456 [0,2,0,0,0,0|1,0,1]=4 4790 B10R0.74 C=CC(=O)OCCSCCC 62a_100000210303_100009813456 [0,2,0,0,0,0|1,0,1]=4 4791 B10R0.74 C=CC(=O)OCCSCCC 62a_100009813456_100000210303 [0,2,0,0,0,0|1,0,1]=4 4792 B10R0.74 C=CC(=O)OCCSCOC 62a_100000766300_100009813456 [0,2,0,0,0,0|0,1,1]=4 4793 B10R0.74 C=CC(=O)OCCSCOC 62a_100009813456_100000766300 [0,2,0,0,0,0|0,1,1]=4 4794 B10R0.74 C=CC(=O)OCCSCSC 62a_100009813456_100011218213 [0,2,0,0,0,0|0,0,1]=3 4795 B10R0.74 C=CC(=O)OCCSCSC 62a_100011218213_100009813456 [0,2,0,0,0,0|0,0,1]=3 4796 B10R0.74 C=CCCCOCC(=O)CC 34a_100000725409_100000757094 [0,2,0,0,0,0|1,0,1]=4 4797 B10R0.74 C=CCCCOCC(=O)CC 7a_100000758997_100000747405 [0,2,0,0,0,0|1,0,1]=4 4798 B10R0.74 C=CCCCOCC(=O)NC 34a_100000750040_100000757094 [0,2,0,0,0,0|1,0,1]=4 4799 B10R0.74 C=CCCCOCC(=O)NC 34a_100000758997_100000183359 [0,2,0,0,0,0|1,0,1]=4 4800 B10R0.74 C=CCCCOCC(=O)NC 7a_100000758997_100000183359 [0,2,0,0,0,0|1,0,1]=4 4801 B10R0.74 C=CCCCOCC(=O)OC 34a_100000758997_100000747449 [0,2,0,0,0,0|1,0,1]=4 4802 B10R0.74 C=CCCCOCC(=O)OC 7a_100000758997_100000747449 [0,2,0,0,0,0|1,0,1]=4 4803 B10R0.74 C=CCCSCOC(=O)OC 62a_100000754431_100000139417 [0,2,0,0,0,0|1,0,1]=4 4804 B10R0.74 C=CCOCCOC(=O)CC 7a_200000031056_100015514636 [0,2,0,0,0,0|1,0,1]=4 4805 B10R0.74 C=CCOCCOC(=O)NC 34a_200000210373_200011997002 [0,2,0,0,0,0|1,0,1]=4 4806 B10R0.74 C=CCOCCOC(=O)OC 34a_100010262106_100015514636 [0,2,0,0,0,0|1,0,1]=4 4807 B10R0.74 C=CCSCCOC(=O)NC 62a_100000210623_200011997002 [0,2,0,0,0,0|1,0,1]=4 4808 B10R0.74 C=CCSCCOC(=O)NC 62a_200011997002_100000210623 [0,2,0,0,0,0|1,0,1]=4 4809 B10R0.74 CC#CCCOCC(=O)NC 34a_100000750427_100000183359 [0,2,0,0,0,0|1,0,1]=4 4810 B10R0.74 CC#CCCOCC(=O)OC 34a_100000750427_100000747449 [0,2,0,0,0,0|1,0,1]=4 4811 B10R0.74 CC#CCSCOC(=O)OC 62a_100000748600_100000139417 [0,2,0,0,0,0|1,0,1]=4 4812 B10R0.74 CC=CCSCOC(=O)OC 62a_100000070051_100000139417 [0,2,0,0,0,0|1,0,1]=4 4813 B10R0.74 CCC(=O)CCCCCCF 1458a_100000210414_100015922095 [0,2,0,0,0,0|2,0,0]=4 4814 B10R0.74 CCC(=O)CCCCCCO 1458a_100000210414_100000766143 [0,2,0,0,0,0|2,0,0]=4 4815 B10R0.74 CCC(=O)CCCCCCO 1458a_100011996774_100000210202 [0,2,0,0,0,0|2,0,0]=4 4816 B10R0.74 CCC(=O)CCCCCOC 1458a_100011935119_100000210202 [0,2,0,0,0,0|1,1,0]=4 4817 B10R0.74 CCC(=O)CCOCCOC 1458a_100000210414_100000695917 [0,2,0,0,0,0|1,1,0]=4 4818 B10R0.74 CCC(=O)CCOCCOC 1458a_100000745395_100000210202 [0,2,0,0,0,0|1,1,0]=4 4819 B10R0.74 CCC(=O)COCCCCCl 7a_100000210776_100000747405 [0,2,0,0,0,0|2,0,0]=4 4820 B10R0.74 CCC(=O)COCCCCF 34a_100000725409_100000729493 [0,2,0,0,0,0|2,0,0]=4 4821 B10R0.74 CCC(=O)COCCCCF 7a_100011995726_100000747405 [0,2,0,0,0,0|2,0,0]=4 4822 B10R0.74 CCC(=O)COCCCCO 34a_100000725409_100011216708 [0,2,0,0,0,0|2,0,0]=4 4823 B10R0.74 CCC(=O)COCCCOC 34a_100000725409_100000740836 [0,2,0,0,0,0|0,1,0]=3 4824 B10R0.74 CCC(=O)COCCCSC 7a_100000690336_100000747405 [0,2,0,0,0,0|0,0,0]=2 4825 B10R0.74 CCC(=O)CSCCCOC 62a_100000709357_100000747405 [0,2,0,0,0,0|0,2,0]=4 4826 B10R0.74 CCC(=O)CSCCCOC 62a_100000747405_100000709357 [0,2,0,0,0,0|0,2,0]=4 4827 B10R0.74 CCC(=O)NCCCCCO 240690a_100000762737_100000210414 [0,2,0,0,0,0|2,0,0]=4 4828 B10R0.74 CCC(=O)NCCNCSC 34a_100132302217_100011218213 [0,2,0,0,0,0|1,0,0]=3 4829 B10R0.74 CCC(=O)NCCOCSC 34a_200000158885_100011218213 [0,2,0,0,0,0|1,0,0]=3 4830 B10R0.74 CCC(=O)NN=CCCSC 4a_100000183195_100000210997 [0,2,0,0,0,0|1,0,1]=4 4831 B10R0.74 CCC(=O)NNCCCOC 22a_100025702787_100000210414 [0,2,0,0,0,0|1,1,0]=4 4832 B10R0.74 CCC(=O)OCCOCC#N 7a_200000031056_100011215382 [0,2,0,0,0,0|2,0,0]=4 4833 B10R0.74 CCC(=O)OCCOCC=O 7a_200000031056_200015260668 [0,2,0,0,0,0|2,0,0]=4 4834 B10R0.74 CCC(=O)OCCOCCF 7a_200000031056_100011217306 [0,2,0,0,0,0|2,0,0]=4 4835 B10R0.74 CCC(=O)OCCOCCO 7a_200000031056_100000211926 [0,2,0,0,0,0|2,0,0]=4 4836 B10R0.74 CCC(C)COCCCSC 34a_100000690336_100000748023 [0,2,0,0,0,0|1,0,1]=4 4837 B10R0.74 CCC(C)COCCCSC 7a_100000690336_100000748023 [0,2,0,0,0,0|1,0,1]=4 4838 B10R0.74 CCC(C)OCCCCSC 34a_100011217163_100011215416 [0,2,0,0,0,0|1,0,1]=4 4839 B10R0.74 CCC(C)OCCCCSC 7a_100011217163_100000758301 [0,2,0,0,0,0|1,0,1]=4 4840 B10R0.74 CCC(O)COCCCSC 34a_100000690336_100011218378 [0,2,0,0,0,0|0,0,2]=4 4841 B10R0.74 CCC(O)COCCCSC 7a_100000690336_100011218378 [0,2,0,0,0,0|0,0,2]=4 4842 B10R0.74 CCCCCC#CC(=O)CC 1458a_100011215388_100000210202 [0,2,0,0,0,0|2,0,0]=4 4843 B10R0.74 CCCCCC#CC(=O)CF 1458a_100011215388_100015361967 [0,2,0,0,0,0|2,0,0]=4 4844 B10R0.74 CCCCCC#CC(=O)NC 240690a_100102657272_100011215388 [0,2,0,0,0,0|2,0,0]=4 4845 B10R0.74 CCCCCC=CC(=O)CC 1458a_100016263427_100000210202 [0,2,0,0,0,0|2,0,0]=4 4846 B10R0.74 CCCCCC=CC(=O)CF 1458a_100016263427_100015361967 [0,2,0,0,0,0|2,0,0]=4 4847 B10R0.74 CCCCCC=CC(=O)NC 11a_106832991635_100016263427 [0,2,0,0,0,0|2,0,0]=4 4848 B10R0.74 CCCCCC=CC(=O)NC 1626a_100102657272_100016263427 [0,2,0,0,0,0|2,0,0]=4 4849 B10R0.74 CCCCCC=CC(=O)NC 240690a_100102657272_100016263427 [0,2,0,0,0,0|2,0,0]=4 4850 B10R0.74 CCCCCCCC(=O)CC 1458a_100000210414_100000210614 [0,2,0,0,0,0|2,0,0]=4 4851 B10R0.74 CCCCCCCC(=O)CC 1458a_100000211969_100000210202 [0,2,0,0,0,0|2,0,0]=4 4852 B10R0.74 CCCCCCCC(=O)CF 1458a_100000211969_100015361967 [0,2,0,0,0,0|2,0,0]=4 4853 B10R0.74 CCCCCCCC(=O)CO 1458a_100000210174_100000210614 [0,2,0,0,0,0|2,0,0]=4 4854 B10R0.74 CCCCCCCC(=O)NC 11a_106832991635_100000211969 [0,2,0,0,0,0|2,0,0]=4 4855 B10R0.74 CCCCCCCC(=O)NC 1626a_100102657272_100000211969 [0,2,0,0,0,0|2,0,0]=4 4856 B10R0.74 CCCCCCCC(=O)NC 240690a_100102657272_100000211969 [0,2,0,0,0,0|2,0,0]=4 4857 B10R0.74 CCCCCCCC(=O)NC 527a_100102657272_100000211969 [0,2,0,0,0,0|2,0,0]=4 4858 B10R0.74 CCCCCCNC(=O)CC 11a_100000210581_100000210414 [0,2,0,0,0,0|2,0,0]=4 4859 B10R0.74 CCCCCCNC(=O)CC 1626a_100000210581_100000210414 [0,2,0,0,0,0|2,0,0]=4 4860 B10R0.74 CCCCCCNC(=O)CC 240690a_100000210581_100000210414 [0,2,0,0,0,0|2,0,0]=4 4861 B10R0.74 CCCCCCNC(=O)CC 527a_100000210581_100000210414 [0,2,0,0,0,0|2,0,0]=4 4862 B10R0.74 CCCCCCNC(=O)CO 240690a_100000210581_100000210174 [0,2,0,0,0,0|2,0,0]=4 4863 B10R0.74 CCCCCCNC(=O)CO 527a_100000210581_100000210174 [0,2,0,0,0,0|2,0,0]=4 4864 B10R0.74 CCCCCCNC(=O)NC 2708a_100000210581_106832991635 [0,2,0,0,0,0|2,0,0]=4 4865 B10R0.74 CCCCCCNC(=O)NC 2708a_100102657272_100000210581 [0,2,0,0,0,0|2,0,0]=4 4866 B10R0.74 CCCCCCNC(=O)NC 273464a_100000210581_100102657272 [0,2,0,0,0,0|2,0,0]=4 4867 B10R0.74 CCCCCCNC(=O)NC 273464a_100102657272_100000210581 [0,2,0,0,0,0|2,0,0]=4 4868 B10R0.74 CCCCCCNC(=O)NC 512a_100000210581_100102657272 [0,2,0,0,0,0|2,0,0]=4 4869 B10R0.74 CCCCCCNC(=O)NC 512a_106832991638_100000210581 [0,2,0,0,0,0|2,0,0]=4 4870 B10R0.74 CCCCCNCC(=O)NC 2230a_100000209983_100000183359 [0,2,0,0,0,0|2,0,0]=4 4871 B10R0.74 CCCCCNCC(=O)NC 2230a_100000693194_100000210326 [0,2,0,0,0,0|2,0,0]=4 4872 B10R0.74 CCCCCNCC(=O)OC 2230a_100000209983_100000747449 [0,2,0,0,0,0|2,0,0]=4 4873 B10R0.74 CCCCCNNC(=O)CC 22a_100000694160_100000210414 [0,2,0,0,0,0|2,0,0]=4 4874 B10R0.74 CCCCCNNC(=O)CO 22a_100000694160_100000210174 [0,2,0,0,0,0|2,0,0]=4 4875 B10R0.74 CCCCCNNC(=O)NC 273464a_100102657272_100000694160 [0,2,0,0,0,0|2,0,0]=4 4876 B10R0.74 CCCCCNNC(=O)NC 512a_100000694160_100102657272 [0,2,0,0,0,0|2,0,0]=4 4877 B10R0.74 CCCCCNNC(=O)NC 512a_106832991638_100000694160 [0,2,0,0,0,0|2,0,0]=4 4878 B10R0.74 CCCCCOCC(=O)CC 34a_100000725409_100000718602 [0,2,0,0,0,0|1,0,0]=3 4879 B10R0.74 CCCCCOCC(=O)CC 7a_100000210253_100000747405 [0,2,0,0,0,0|1,0,0]=3 4880 B10R0.74 CCCCCOCC(=O)NC 34a_100000210253_100000183359 [0,2,0,0,0,0|1,0,0]=3 4881 B10R0.74 CCCCCOCC(=O)NC 34a_100000750040_100000718602 [0,2,0,0,0,0|1,0,0]=3 4882 B10R0.74 CCCCCOCC(=O)NC 7a_100000210253_100000183359 [0,2,0,0,0,0|1,0,0]=3 4883 B10R0.74 CCCCCOCC(=O)OC 34a_100000210253_100000747449 [0,2,0,0,0,0|1,0,0]=3 4884 B10R0.74 CCCCCOCC(=O)OC 7a_100000210253_100000747449 [0,2,0,0,0,0|1,0,0]=3 4885 B10R0.74 CCCCCSCC(=O)CC 62a_100000210326_100000747405 [0,2,0,0,0,0|1,1,0]=4 4886 B10R0.74 CCCCCSCC(=O)CC 62a_100000747405_100000210326 [0,2,0,0,0,0|1,1,0]=4 4887 B10R0.74 CCCCCSCC(=O)NC 62a_100000183359_100000210326 [0,2,0,0,0,0|1,1,0]=4 4888 B10R0.74 CCCCCSCC(=O)NC 62a_100000210326_100000183359 [0,2,0,0,0,0|1,1,0]=4 4889 B10R0.74 CCCCCSCC(=O)OC 62a_100000210326_100000747449 [0,2,0,0,0,0|1,1,0]=4 4890 B10R0.74 CCCCCSCC(=O)OC 62a_100000747449_100000210326 [0,2,0,0,0,0|1,1,0]=4 4891 B10R0.74 CCCCNCCC(=O)NC 2230a_100000102301_100000737683 [0,2,0,0,0,0|2,0,0]=4 4892 B10R0.74 CCCCNCCC(=O)NC 2230a_100000738227_100000210211 [0,2,0,0,0,0|2,0,0]=4 4893 B10R0.74 CCCCNCCC(=O)NC 34a_100000738227_100000210210 [0,2,0,0,0,0|2,0,0]=4 4894 B10R0.74 CCCCNCCC(=O)NC 7a_106832991798_100000737683 [0,2,0,0,0,0|2,0,0]=4 4895 B10R0.74 CCCCNCCC(=O)OC 2230a_100000102301_100000204255 [0,2,0,0,0,0|2,0,0]=4 4896 B10R0.74 CCCCNCCC(=O)OC 7a_106832991798_100000204255 [0,2,0,0,0,0|2,0,0]=4 4897 B10R0.74 CCCCOCCC(=O)CC 1458a_100000210414_100000743108 [0,2,0,0,0,0|2,0,0]=4 4898 B10R0.74 CCCCOCCC(=O)CO 1458a_100000210174_100000743108 [0,2,0,0,0,0|2,0,0]=4 4899 B10R0.74 CCCCOCCC(=O)NC 34a_100000210227_100012179268 [0,2,0,0,0,0|2,0,0]=4 4900 B10R0.74 CCCCOCCC(=O)NC 34a_100000754576_100000210210 [0,2,0,0,0,0|2,0,0]=4 4901 B10R0.74 CCCCOCCC(=O)NC 7a_100000210227_100000737683 [0,2,0,0,0,0|2,0,0]=4 4902 B10R0.74 CCCCOCCC(=O)OC 34a_100000210227_100000742370 [0,2,0,0,0,0|2,0,0]=4 4903 B10R0.74 CCCCOCCC(=O)OC 7a_100000210227_100000204255 [0,2,0,0,0,0|2,0,0]=4 4904 B10R0.74 CCCCSCCC(=O)NC 62a_100000210211_100000737683 [0,2,0,0,0,0|2,0,0]=4 4905 B10R0.74 CCCCSCCC(=O)NC 62a_100000737683_100000210210 [0,2,0,0,0,0|2,0,0]=4 4906 B10R0.74 CCCCSCCC(=O)OC 62a_100000204255_100000210210 [0,2,0,0,0,0|2,0,0]=4 4907 B10R0.74 CCCCSCCC(=O)OC 62a_100000210211_100000204255 [0,2,0,0,0,0|2,0,0]=4 4908 B10R0.74 CCCCSCOC(=O)OC 62a_100000210211_100000139417 [0,2,0,0,0,0|1,0,0]=3 4909 B10R0.74 CCCNCCCC(=O)NC 2230a_100000740002_100000210303 [0,2,0,0,0,0|2,0,0]=4 4910 B10R0.74 CCCNCCCC(=O)NC 34a_100000740002_100000210303 [0,2,0,0,0,0|2,0,0]=4 4911 B10R0.74 CCCNCCNC(=O)CC 34a_100132302217_100000210303 [0,2,0,0,0,0|2,0,0]=4 4912 B10R0.74 CCCNCCNC(=O)NC 34a_100015205895_100000210303 [0,2,0,0,0,0|2,0,0]=4 4913 B10R0.74 CCCOCCCC(=O)NC 34a_100000210258_100000741757 [0,2,0,0,0,0|2,0,0]=4 4914 B10R0.74 CCCOCCCC(=O)OC 34a_100000210258_100000742333 [0,2,0,0,0,0|2,0,0]=4 4915 B10R0.74 CCCOCCNC(=O)CC 1626a_100161115042_100000210414 [0,2,0,0,0,0|2,0,0]=4 4916 B10R0.74 CCCOCCNC(=O)CC 240690a_100161115042_100000210414 [0,2,0,0,0,0|2,0,0]=4 4917 B10R0.74 CCCOCCNC(=O)CC 34a_200000158885_100000210303 [0,2,0,0,0,0|2,0,0]=4 4918 B10R0.74 CCCOCCNC(=O)CC 527a_100161115042_100000210414 [0,2,0,0,0,0|2,0,0]=4 4919 B10R0.74 CCCOCCNC(=O)CC 7a_200000158885_100000210303 [0,2,0,0,0,0|2,0,0]=4 4920 B10R0.74 CCCOCCNC(=O)CO 240690a_100161115042_100000210174 [0,2,0,0,0,0|2,0,0]=4 4921 B10R0.74 CCCOCCNC(=O)CO 527a_100161115042_100000210174 [0,2,0,0,0,0|2,0,0]=4 4922 B10R0.74 CCCOCCNC(=O)NC 2708a_100102657272_100161115042 [0,2,0,0,0,0|2,0,0]=4 4923 B10R0.74 CCCOCCNC(=O)NC 2708a_100161115042_106832991635 [0,2,0,0,0,0|2,0,0]=4 4924 B10R0.74 CCCOCCNC(=O)NC 273464a_100102657272_100161115042 [0,2,0,0,0,0|2,0,0]=4 4925 B10R0.74 CCCOCCNC(=O)NC 273464a_100161115042_100102657272 [0,2,0,0,0,0|2,0,0]=4 4926 B10R0.74 CCCOCCNC(=O)NC 512a_100161115042_100102657272 [0,2,0,0,0,0|2,0,0]=4 4927 B10R0.74 CCCOCCNC(=O)NC 512a_106832991638_100161115042 [0,2,0,0,0,0|2,0,0]=4 4928 B10R0.74 CCCOCCNC(=O)OC 34a_100000757965_100000210303 [0,2,0,0,0,0|2,0,0]=4 4929 B10R0.74 CCCOCCOC(=O)CC 7a_200000031056_100000210303 [0,2,0,0,0,0|1,0,0]=3 4930 B10R0.74 CCCOCCOC(=O)NC 34a_100000210258_200011997002 [0,2,0,0,0,0|1,0,0]=3 4931 B10R0.74 CCCOCCOC(=O)OC 34a_100010262106_100000210303 [0,2,0,0,0,0|1,0,0]=3 4932 B10R0.74 CCCSCCCC(=O)NC 62a_100000210303_100000741757 [0,2,0,0,0,0|2,0,0]=4 4933 B10R0.74 CCCSCCCC(=O)NC 62a_100000741757_100000210303 [0,2,0,0,0,0|2,0,0]=4 4934 B10R0.74 CCCSCCCC(=O)OC 62a_100000210303_100011218270 [0,2,0,0,0,0|2,0,0]=4 4935 B10R0.74 CCCSCCCC(=O)OC 62a_100011218270_100000210303 [0,2,0,0,0,0|2,0,0]=4 4936 B10R0.74 CCCSCCNC(=O)CC 11a_100020603323_100000210414 [0,2,0,0,0,0|2,0,0]=4 4937 B10R0.74 CCCSCCNC(=O)CC 240690a_100020603323_100000210414 [0,2,0,0,0,0|2,0,0]=4 4938 B10R0.74 CCCSCCNC(=O)CC 527a_100020603323_100000210414 [0,2,0,0,0,0|2,0,0]=4 4939 B10R0.74 CCCSCCNC(=O)CO 240690a_100020603323_100000210174 [0,2,0,0,0,0|2,0,0]=4 4940 B10R0.74 CCCSCCNC(=O)CO 527a_100020603323_100000210174 [0,2,0,0,0,0|2,0,0]=4 4941 B10R0.74 CCCSCCNC(=O)NC 2708a_100020603323_106832991635 [0,2,0,0,0,0|2,0,0]=4 4942 B10R0.74 CCCSCCNC(=O)NC 2708a_100102657272_100020603323 [0,2,0,0,0,0|2,0,0]=4 4943 B10R0.74 CCCSCCNC(=O)NC 273464a_100020603323_100102657272 [0,2,0,0,0,0|2,0,0]=4 4944 B10R0.74 CCCSCCNC(=O)NC 273464a_100102657272_100020603323 [0,2,0,0,0,0|2,0,0]=4 4945 B10R0.74 CCCSCCNC(=O)NC 512a_100020603323_100102657272 [0,2,0,0,0,0|2,0,0]=4 4946 B10R0.74 CCCSCCNC(=O)NC 512a_106832991638_100020603323 [0,2,0,0,0,0|2,0,0]=4 4947 B10R0.74 CCCSCCOC(=O)NC 62a_100000210303_200011997002 [0,2,0,0,0,0|1,0,0]=3 4948 B10R0.74 CCCSCCOC(=O)NC 62a_200011997002_100000210303 [0,2,0,0,0,0|1,0,0]=3 4949 B10R0.74 CCNCCCCC(=O)OC 2230a_100015525214_100000204269 [0,2,0,0,0,0|2,0,0]=4 4950 B10R0.74 CCNCCOCC(=O)OC 2230a_100015525214_100000090808 [0,2,0,0,0,0|2,0,0]=4 4951 B10R0.74 CCOCCCCC(=O)OC 34a_100000059025_100000210202 [0,2,0,0,0,0|1,1,0]=4 4952 B10R0.74 CCOCCCCC(=O)OC 34a_100121572206_100000204269 [0,2,0,0,0,0|1,1,0]=4 4953 B10R0.74 CCOCCCCC(=O)OC 7a_100000059025_100000210202 [0,2,0,0,0,0|1,1,0]=4 4954 B10R0.74 CCOCCCNC(=O)CC 11a_100000210961_100000210414 [0,2,0,0,0,0|1,1,0]=4 4955 B10R0.74 CCOCCCNC(=O)CC 1626a_100000210961_100000210414 [0,2,0,0,0,0|1,1,0]=4 4956 B10R0.74 CCOCCCNC(=O)CC 240690a_100000210961_100000210414 [0,2,0,0,0,0|1,1,0]=4 4957 B10R0.74 CCOCCCNC(=O)CC 527a_100000210961_100000210414 [0,2,0,0,0,0|1,1,0]=4 4958 B10R0.74 CCOCCCNC(=O)CO 240690a_100000210961_100000210174 [0,2,0,0,0,0|1,1,0]=4 4959 B10R0.74 CCOCCCNC(=O)CO 527a_100000210961_100000210174 [0,2,0,0,0,0|1,1,0]=4 4960 B10R0.74 CCOCCCNC(=O)NC 2708a_100000210961_106832991635 [0,2,0,0,0,0|1,1,0]=4 4961 B10R0.74 CCOCCCNC(=O)NC 2708a_100102657272_100000210961 [0,2,0,0,0,0|1,1,0]=4 4962 B10R0.74 CCOCCCNC(=O)NC 273464a_100000210961_100102657272 [0,2,0,0,0,0|1,1,0]=4 4963 B10R0.74 CCOCCCNC(=O)NC 273464a_100102657272_100000210961 [0,2,0,0,0,0|1,1,0]=4 4964 B10R0.74 CCOCCCNC(=O)NC 512a_100000210961_100102657272 [0,2,0,0,0,0|1,1,0]=4 4965 B10R0.74 CCOCCCNC(=O)NC 512a_106832991638_100000210961 [0,2,0,0,0,0|1,1,0]=4 4966 B10R0.74 CCOCCOCC(=O)CC 34a_100000725409_100000210147 [0,2,0,0,0,0|2,0,0]=4 4967 B10R0.74 CCOCCOCC(=O)CC 7a_100000210136_100000747405 [0,2,0,0,0,0|2,0,0]=4 4968 B10R0.74 CCOCCOCC(=O)NC 34a_100000210136_100000183359 [0,2,0,0,0,0|2,0,0]=4 4969 B10R0.74 CCOCCOCC(=O)NC 34a_100000750040_100000210147 [0,2,0,0,0,0|2,0,0]=4 4970 B10R0.74 CCOCCOCC(=O)NC 7a_100000210136_100000183359 [0,2,0,0,0,0|2,0,0]=4 4971 B10R0.74 CCOCCOCC(=O)OC 34a_100000210136_100000747449 [0,2,0,0,0,0|2,0,0]=4 4972 B10R0.74 CCOCCOCC(=O)OC 34a_100121572206_100000090808 [0,2,0,0,0,0|2,0,0]=4 4973 B10R0.74 CCOCCOCC(=O)OC 7a_100000210136_100000747449 [0,2,0,0,0,0|2,0,0]=4 4974 B10R0.74 CCOCSCOC(=O)OC 62a_100000739092_100000139417 [0,2,0,0,0,0|1,1,0]=4 4975 B10R0.74 CCSCCCCC(=O)OC 62a_100000204269_100000210202 [0,2,0,0,0,0|1,0,0]=3 4976 B10R0.74 CCSCCCCC(=O)OC 62a_100000210202_100000204269 [0,2,0,0,0,0|1,0,0]=3 4977 B10R0.74 CCSCCCOC(C)C#N 7a_100011216438_100000703298 [0,2,0,0,0,0|1,0,1]=4 4978 B10R0.74 CCSCCCOC(C)CC 34a_100011216438_100011215416 [0,2,0,0,0,0|1,0,1]=4 4979 B10R0.74 CCSCCCOC(C)CC 7a_100011216438_100000758301 [0,2,0,0,0,0|1,0,1]=4 4980 B10R0.74 CCSCCCOC(C)CO 34a_100011216438_100012180447 [0,2,0,0,0,0|0,0,2]=4 4981 B10R0.74 CCSCCCOC(C)CO 7a_100011216438_100012180447 [0,2,0,0,0,0|0,0,2]=4 4982 B10R0.74 CCSCCNCC(=O)NC 2230a_100000106463_100000183359 [0,2,0,0,0,0|2,0,0]=4 4983 B10R0.74 CCSCCNCC(=O)NC 2230a_100000693194_100000757381 [0,2,0,0,0,0|2,0,0]=4 4984 B10R0.74 CCSCCNCC(=O)OC 2230a_100000106463_100000747449 [0,2,0,0,0,0|2,0,0]=4 4985 B10R0.74 CCSCCOCC(=O)CC 34a_100000725409_100000757381 [0,2,0,0,0,0|2,0,0]=4 4986 B10R0.74 CCSCCOCC(=O)CC 7a_100000212035_100000747405 [0,2,0,0,0,0|2,0,0]=4 4987 B10R0.74 CCSCCOCC(=O)NC 34a_100000212035_100000183359 [0,2,0,0,0,0|2,0,0]=4 4988 B10R0.74 CCSCCOCC(=O)NC 34a_100000750040_100000757381 [0,2,0,0,0,0|2,0,0]=4 4989 B10R0.74 CCSCCOCC(=O)NC 7a_100000212035_100000183359 [0,2,0,0,0,0|2,0,0]=4 4990 B10R0.74 CCSCCOCC(=O)OC 34a_100000212035_100000747449 [0,2,0,0,0,0|2,0,0]=4 4991 B10R0.74 CCSCCOCC(=O)OC 62a_100000090808_100000210202 [0,2,0,0,0,0|2,0,0]=4 4992 B10R0.74 CCSCCOCC(=O)OC 62a_100000210202_100000090808 [0,2,0,0,0,0|2,0,0]=4 4993 B10R0.74 CCSCCOCC(=O)OC 7a_100000212035_100000747449 [0,2,0,0,0,0|2,0,0]=4 4994 B10R0.74 CCSCCSCC(=O)CC 62a_100000747405_100000757381 [0,2,0,0,0,0|2,0,0]=4 4995 B10R0.74 CCSCCSCC(=O)CC 62a_100000757381_100000747405 [0,2,0,0,0,0|2,0,0]=4 4996 B10R0.74 CCSCCSCC(=O)NC 62a_100000183359_100000757381 [0,2,0,0,0,0|2,0,0]=4 4997 B10R0.74 CCSCCSCC(=O)NC 62a_100000757381_100000183359 [0,2,0,0,0,0|2,0,0]=4 4998 B10R0.74 CCSCCSCC(=O)OC 62a_100000747449_100000757381 [0,2,0,0,0,0|2,0,0]=4 4999 B10R0.74 CCSCCSCC(=O)OC 62a_100000757381_100000747449 [0,2,0,0,0,0|2,0,0]=4 5000 B10R0.74 CC[C@H](C)COCCCSC 34a_100000690336_100009816398 [0,2,0,0,0,0|1,0,1]=4 5001 B10R0.74 CC[C@H](C)COCCCSC 7a_100000690336_100009816398 [0,2,0,0,0,0|1,0,1]=4 5002 B10R0.74 CNC(=O)CCCCCCO 240690a_100102657272_100011996774 [0,2,0,0,0,0|2,0,0]=4 5003 B10R0.74 CNC(=O)CCCCCOC 11a_106832991635_100011935119 [0,2,0,0,0,0|1,1,0]=4 5004 B10R0.74 CNC(=O)CCCCCOC 1626a_100102657272_100011935119 [0,2,0,0,0,0|1,1,0]=4 5005 B10R0.74 CNC(=O)CCCCCOC 240690a_100102657272_100011935119 [0,2,0,0,0,0|1,1,0]=4 5006 B10R0.74 CNC(=O)CCCCCOC 527a_100102657272_100011935119 [0,2,0,0,0,0|1,1,0]=4 5007 B10R0.74 CNC(=O)CCCNCOC 2230a_100000740002_100000766300 [0,2,0,0,0,0|1,1,0]=4 5008 B10R0.74 CNC(=O)CCCNCSC 2230a_100000740002_100011218213 [0,2,0,0,0,0|1,0,0]=3 5009 B10R0.74 CNC(=O)CCCNCSC 34a_100000740002_100011218213 [0,2,0,0,0,0|1,0,0]=3 5010 B10R0.74 CNC(=O)CCCSCOC 62a_100000741757_100000766300 [0,2,0,0,0,0|1,1,0]=4 5011 B10R0.74 CNC(=O)CCCSCOC 62a_100000766300_100000741757 [0,2,0,0,0,0|1,1,0]=4 5012 B10R0.74 CNC(=O)CCCSCSC 62a_100000741757_100011218213 [0,2,0,0,0,0|1,0,0]=3 5013 B10R0.74 CNC(=O)CCCSCSC 62a_100011218213_100000741757 [0,2,0,0,0,0|1,0,0]=3 5014 B10R0.74 CNC(=O)CCNCCOC 2230a_100000209980_100000737683 [0,2,0,0,0,0|1,1,0]=4 5015 B10R0.74 CNC(=O)CCNCCOC 2230a_100000738227_100011201679 [0,2,0,0,0,0|1,1,0]=4 5016 B10R0.74 CNC(=O)CCNCCOC 34a_100000738227_100011201679 [0,2,0,0,0,0|1,1,0]=4 5017 B10R0.74 CNC(=O)CCNCCSC 2230a_100000738227_100000751147 [0,2,0,0,0,0|1,0,0]=3 5018 B10R0.74 CNC(=O)CCNCCSC 2230a_100020590264_100000737683 [0,2,0,0,0,0|1,0,0]=3 5019 B10R0.74 CNC(=O)CCNCCSC 34a_100000738227_100000212216 [0,2,0,0,0,0|1,0,0]=3 5020 B10R0.74 CNC(=O)CCOCCOC 11a_106832991635_100000745395 [0,2,0,0,0,0|1,1,0]=4 5021 B10R0.74 CNC(=O)CCOCCOC 1626a_100102657272_100000745395 [0,2,0,0,0,0|1,1,0]=4 5022 B10R0.74 CNC(=O)CCOCCOC 240690a_100102657272_100000745395 [0,2,0,0,0,0|1,1,0]=4 5023 B10R0.74 CNC(=O)CCOCCOC 34a_100000210237_100012179268 [0,2,0,0,0,0|1,1,0]=4 5024 B10R0.74 CNC(=O)CCOCCOC 34a_100000754576_100011201679 [0,2,0,0,0,0|1,1,0]=4 5025 B10R0.74 CNC(=O)CCOCCOC 527a_100102657272_100000745395 [0,2,0,0,0,0|1,1,0]=4 5026 B10R0.74 CNC(=O)CCOCCSC 34a_100000230434_100012179268 [0,2,0,0,0,0|1,0,0]=3 5027 B10R0.74 CNC(=O)CCOCCSC 34a_100000754576_100000212216 [0,2,0,0,0,0|1,0,0]=3 5028 B10R0.74 CNC(=O)CCOCCSC 7a_100000230434_100000737683 [0,2,0,0,0,0|1,0,0]=3 5029 B10R0.74 CNC(=O)CCSCCOC 62a_100000233755_100000737683 [0,2,0,0,0,0|1,1,0]=4 5030 B10R0.74 CNC(=O)CCSCCOC 62a_100000737683_100000233755 [0,2,0,0,0,0|1,1,0]=4 5031 B10R0.74 CNC(=O)CCSCCSC 62a_100000212216_100000737683 [0,2,0,0,0,0|1,0,0]=3 5032 B10R0.74 CNC(=O)CCSCCSC 62a_100000737683_100000751147 [0,2,0,0,0,0|1,0,0]=3 5033 B10R0.74 CNC(=O)CNCCCOC 2230a_100000693194_100000740836 [0,2,0,0,0,0|1,1,0]=4 5034 B10R0.74 CNC(=O)CNCCCOC 34a_100150723488_100000183359 [0,2,0,0,0,0|1,1,0]=4 5035 B10R0.74 CNC(=O)CNCCCSC 2230a_100000749238_100000183359 [0,2,0,0,0,0|1,0,0]=3 5036 B10R0.74 CNC(=O)COCCCCBr 34a_100011216708_100000183359 [0,2,0,0,0,0|2,0,0]=4 5037 B10R0.74 CNC(=O)COCCCCCl 34a_100000210776_100000183359 [0,2,0,0,0,0|2,0,0]=4 5038 B10R0.74 CNC(=O)COCCCCCl 7a_100000210776_100000183359 [0,2,0,0,0,0|2,0,0]=4 5039 B10R0.74 CNC(=O)COCCCCF 34a_100000750040_100000729493 [0,2,0,0,0,0|2,0,0]=4 5040 B10R0.74 CNC(=O)COCCCCF 34a_100011995726_100000183359 [0,2,0,0,0,0|2,0,0]=4 5041 B10R0.74 CNC(=O)COCCCCF 7a_100011995726_100000183359 [0,2,0,0,0,0|2,0,0]=4 5042 B10R0.74 CNC(=O)COCCCCI 34a_200012148704_100000183359 [0,2,0,0,0,0|2,0,0]=4 5043 B10R0.74 CNC(=O)COCCCCN 34a_100000750430_100000183359 [0,2,0,0,0,0|2,0,0]=4 5044 B10R0.74 CNC(=O)COCCCCO 34a_100000750040_100011216708 [0,2,0,0,0,0|2,0,0]=4 5045 B10R0.74 CNC(=O)COCCCOC 34a_100000740835_100000183359 [0,2,0,0,0,0|0,1,0]=3 5046 B10R0.74 CNC(=O)COCCCOC 34a_100000750040_100000740836 [0,2,0,0,0,0|0,1,0]=3 5047 B10R0.74 CNC(=O)COCCCSC 34a_100000690336_100000183359 [0,2,0,0,0,0|0,0,0]=2 5048 B10R0.74 CNC(=O)COCCCSC 7a_100000690336_100000183359 [0,2,0,0,0,0|0,0,0]=2 5049 B10R0.74 CNC(=O)CSCCCOC 62a_100000183359_100000709357 [0,2,0,0,0,0|0,2,0]=4 5050 B10R0.74 CNC(=O)CSCCCOC 62a_100000709357_100000183359 [0,2,0,0,0,0|0,2,0]=4 5051 B10R0.74 CNC(=O)NCCCCCO 2708a_100102657272_100000762737 [0,2,0,0,0,0|2,0,0]=4 5052 B10R0.74 CNC(=O)NCCCCCO 273464a_100000762737_100102657272 [0,2,0,0,0,0|2,0,0]=4 5053 B10R0.74 CNC(=O)NCCCCCO 273464a_100102657272_100000762737 [0,2,0,0,0,0|2,0,0]=4 5054 B10R0.74 CNC(=O)NCCCCCO 512a_100000762737_100102657272 [0,2,0,0,0,0|2,0,0]=4 5055 B10R0.74 CNC(=O)NCCCCCO 512a_106832991638_100000762737 [0,2,0,0,0,0|2,0,0]=4 5056 B10R0.74 CNC(=O)NCCNCSC 34a_100015205895_100011218213 [0,2,0,0,0,0|1,0,0]=3 5057 B10R0.74 CNC(=O)NNCCCOC 273464a_100102657272_100025702787 [0,2,0,0,0,0|1,1,0]=4 5058 B10R0.74 CNC(=O)NNCCCOC 512a_106832991638_100025702787 [0,2,0,0,0,0|1,1,0]=4 5059 B10R0.74 CNC(=O)OCCNCCF 34a_100000724931_200011997002 [0,2,0,0,0,0|2,0,0]=4 5060 B10R0.74 CNC(=O)OCCNCCO 34a_100016990907_200011997002 [0,2,0,0,0,0|2,0,0]=4 5061 B10R0.74 CNC(=O)OCCOCCBr 34a_100000211926_200011997002 [0,2,0,0,0,0|2,0,0]=4 5062 B10R0.74 CNC(=O)OCCOCCN 34a_100000210304_200011997002 [0,2,0,0,0,0|2,0,0]=4 5063 B10R0.74 CNC(=O)OCCSCC#N 62a_100011215382_200011997002 [0,2,0,0,0,0|2,0,0]=4 5064 B10R0.74 CNC(=O)OCCSCC#N 62a_200011997002_100011215382 [0,2,0,0,0,0|2,0,0]=4 5065 B10R0.74 CNC(=O)OCCSCC=O 62a_200011997002_200015260668 [0,2,0,0,0,0|2,0,0]=4 5066 B10R0.74 CNC(=O)OCCSCC=O 62a_200015260668_200011997002 [0,2,0,0,0,0|2,0,0]=4 5067 B10R0.74 CNC(=O)OCCSCCF 62a_100011217306_200011997002 [0,2,0,0,0,0|2,0,0]=4 5068 B10R0.74 CNC(=O)OCCSCCF 62a_200011997002_100011217306 [0,2,0,0,0,0|2,0,0]=4 5069 B10R0.74 CNC(=O)OCCSCCO 62a_100000211926_200011997002 [0,2,0,0,0,0|2,0,0]=4 5070 B10R0.74 CNC(=O)OCCSCCO 62a_200011997002_100000211926 [0,2,0,0,0,0|2,0,0]=4 5071 B10R0.74 CNC(=O)OCCSCOC 62a_100000766300_200011997002 [0,2,0,0,0,0|0,1,0]=3 5072 B10R0.74 CNC(=O)OCCSCOC 62a_200011997002_100000766300 [0,2,0,0,0,0|0,1,0]=3 5073 B10R0.74 CNC(=O)OCCSCSC 62a_100011218213_200011997002 [0,2,0,0,0,0|0,0,0]=2 5074 B10R0.74 CNC(=O)OCCSCSC 62a_200011997002_100011218213 [0,2,0,0,0,0|0,0,0]=2 5075 B10R0.74 CNCCCCCC(=O)OC 2230a_106832991635_100009816466 [0,2,0,0,0,0|2,0,0]=4 5076 B10R0.74 CNCCCCCC(=O)OC 34a_100102657272_100009816466 [0,2,0,0,0,0|2,0,0]=4 5077 B10R0.74 CNCCCCCC(=O)OC 7a_106832991635_100009816466 [0,2,0,0,0,0|2,0,0]=4 5078 B10R0.74 CNCCCOCC(=O)NC 34a_100000213112_100000183359 [0,2,0,0,0,0|1,0,0]=3 5079 B10R0.74 CNCCCOCC(=O)OC 34a_100000213112_100000747449 [0,2,0,0,0,0|1,0,0]=3 5080 B10R0.74 COC(=O)/C=C/CSCSC 62a_100000742655_100011218213 [0,2,0,0,0,0|1,0,1]=4 5081 B10R0.74 COC(=O)/C=C/CSCSC 62a_100011218213_100000742655 [0,2,0,0,0,0|1,0,1]=4 5082 B10R0.74 COC(=O)CCCCCO[13CH3] 34a_100000074720_200025704644 [0,2,0,0,0,0|1,1,0]=4 5083 B10R0.74 COC(=O)CCCCCO[13CH3] 7a_100000074720_200025704644 [0,2,0,0,0,0|1,1,0]=4 5084 B10R0.74 COC(=O)CCCCCSC 62a_100009816466_200000210301 [0,2,0,0,0,0|1,0,0]=3 5085 B10R0.74 COC(=O)CCCCCSC 62a_200000210301_100009816466 [0,2,0,0,0,0|1,0,0]=3 5086 B10R0.74 COC(=O)CCCCCS[13CH3] 62a_100009816466_200025704644 [0,2,0,0,0,0|1,0,0]=3 5087 B10R0.74 COC(=O)CCCCCS[13CH3] 62a_200025704644_100009816466 [0,2,0,0,0,0|1,0,0]=3 5088 B10R0.74 COC(=O)CCCCOCF 34a_100000059025_100015361967 [0,2,0,0,0,0|1,1,0]=4 5089 B10R0.74 COC(=O)CCCCOCF 7a_100000059025_100015361967 [0,2,0,0,0,0|1,1,0]=4 5090 B10R0.74 COC(=O)CCCCSCF 62a_100000204269_100015361967 [0,2,0,0,0,0|1,0,0]=3 5091 B10R0.74 COC(=O)CCCCSCF 62a_100015361967_100000204269 [0,2,0,0,0,0|1,0,0]=3 5092 B10R0.74 COC(=O)CCCSCSC 62a_100011218213_100011218270 [0,2,0,0,0,0|1,0,0]=3 5093 B10R0.74 COC(=O)CCCSCSC 62a_100011218270_100011218213 [0,2,0,0,0,0|1,0,0]=3 5094 B10R0.74 COC(=O)CCNCCSC 2230a_100020590264_100000204255 [0,2,0,0,0,0|1,0,0]=3 5095 B10R0.74 COC(=O)CCOCCSC 34a_100000230434_100000742370 [0,2,0,0,0,0|1,0,0]=3 5096 B10R0.74 COC(=O)CCOCCSC 7a_100000230434_100000204255 [0,2,0,0,0,0|1,0,0]=3 5097 B10R0.74 COC(=O)CCSCCSC 62a_100000204255_100000751147 [0,2,0,0,0,0|1,0,0]=3 5098 B10R0.74 COC(=O)CCSCCSC 62a_100000212216_100000204255 [0,2,0,0,0,0|1,0,0]=3 5099 B10R0.74 COC(=O)CNCCCSC 2230a_100000749238_100000747449 [0,2,0,0,0,0|1,0,0]=3 5100 B10R0.74 COC(=O)COCCCCBr 34a_100011216708_100000747449 [0,2,0,0,0,0|2,0,0]=4 5101 B10R0.74 COC(=O)COCCCCCl 34a_100000210776_100000747449 [0,2,0,0,0,0|2,0,0]=4 5102 B10R0.74 COC(=O)COCCCCCl 7a_100000210776_100000747449 [0,2,0,0,0,0|2,0,0]=4 5103 B10R0.74 COC(=O)COCCCCF 34a_100011995726_100000747449 [0,2,0,0,0,0|2,0,0]=4 5104 B10R0.74 COC(=O)COCCCCF 7a_100011995726_100000747449 [0,2,0,0,0,0|2,0,0]=4 5105 B10R0.74 COC(=O)COCCCCI 34a_200012148704_100000747449 [0,2,0,0,0,0|2,0,0]=4 5106 B10R0.74 COC(=O)COCCCCN 34a_100000750430_100000747449 [0,2,0,0,0,0|2,0,0]=4 5107 B10R0.74 COC(=O)COCCCSC 34a_100000690336_100000747449 [0,2,0,0,0,0|0,0,0]=2 5108 B10R0.74 COC(=O)COCCCSC 7a_100000690336_100000747449 [0,2,0,0,0,0|0,0,0]=2 5109 B10R0.74 COC(=O)COCCSCF 62a_100000090808_100015361967 [0,2,0,0,0,0|2,0,0]=4 5110 B10R0.74 COC(=O)COCCSCF 62a_100015361967_100000090808 [0,2,0,0,0,0|2,0,0]=4 5111 B10R0.74 COC(=O)NCCOCSC 34a_100000757965_100011218213 [0,2,0,0,0,0|1,0,0]=3 5112 B10R0.74 COC(=O)OCCOCC=O 34a_100010262106_200009817547 [0,2,0,0,0,0|2,0,0]=4 5113 B10R0.74 COC(=O)OCCOCCF 34a_100010262106_100011217306 [0,2,0,0,0,0|2,0,0]=4 5114 B10R0.74 COC(=O)OCCOCCO 34a_100010262106_100000211926 [0,2,0,0,0,0|2,0,0]=4 5115 B10R0.74 COC(=O)OCCOCSC 34a_100010262106_100011218213 [0,2,0,0,0,0|0,0,0]=2 5116 B10R0.74 COC(=O)OCSCCC#N 62a_100011215226_100000139417 [0,2,0,0,0,0|2,0,0]=4 5117 B10R0.74 COC(=O)OCSCCCF 62a_100011934791_100000139417 [0,2,0,0,0,0|2,0,0]=4 5118 B10R0.74 COC(=O)OCSCCCO 62a_100011215043_100000139417 [0,2,0,0,0,0|2,0,0]=4 5119 B10R0.74 COC(=O)OCSCCSC 62a_100000212216_100000139417 [0,2,0,0,0,0|0,0,0]=2 5120 B10R0.74 COC(=O)OCSCSC#N 62a_100000211825_100000139417 [0,2,0,0,0,0|1,0,1]=4 5121 B10R0.74 COCCCCCC(=O)CF 1458a_100011935119_100015361967 [0,2,0,0,0,0|1,1,0]=4 5122 B10R0.74 COCCCCCC(=O)OC 34a_100000074720_200000210301 [0,2,0,0,0,0|1,1,0]=4 5123 B10R0.74 COCCCCCC(=O)OC 34a_100138415774_100009816466 [0,2,0,0,0,0|1,1,0]=4 5124 B10R0.74 COCCCCCC(=O)OC 7a_100000074720_200000210301 [0,2,0,0,0,0|1,1,0]=4 5125 B10R0.74 COCCCNCC(=O)OC 34a_100150723488_100000747449 [0,2,0,0,0,0|1,1,0]=4 5126 B10R0.74 COCCCNNC(=O)CO 22a_100025702787_100000210174 [0,2,0,0,0,0|1,1,0]=4 5127 B10R0.74 COCCCOCC(=O)OC 34a_100000740835_100000747449 [0,2,0,0,0,0|0,1,0]=3 5128 B10R0.74 COCCCSCC(=O)OC 62a_100000709357_100000747449 [0,2,0,0,0,0|0,2,0]=4 5129 B10R0.74 COCCCSCC(=O)OC 62a_100000747449_100000709357 [0,2,0,0,0,0|0,2,0]=4 5130 B10R0.74 COCCNCCC(=O)OC 2230a_100000209980_100000204255 [0,2,0,0,0,0|1,1,0]=4 5131 B10R0.74 COCCOCCC(=O)CF 1458a_100000745395_100015361967 [0,2,0,0,0,0|1,1,0]=4 5132 B10R0.74 COCCOCCC(=O)CO 1458a_100000210174_100000695917 [0,2,0,0,0,0|1,1,0]=4 5133 B10R0.74 COCCOCCC(=O)OC 34a_100000210237_100000742370 [0,2,0,0,0,0|1,1,0]=4 5134 B10R0.74 COCCSCCC(=O)OC 62a_100000204255_100000233755 [0,2,0,0,0,0|1,1,0]=4 5135 B10R0.74 COCCSCCC(=O)OC 62a_100000233755_100000204255 [0,2,0,0,0,0|1,1,0]=4 5136 B10R0.74 COCCSCOC(=O)OC 62a_100000233755_100000139417 [0,2,0,0,0,0|0,1,0]=3 5137 B10R0.74 COCSCCCC(=O)OC 62a_100000766300_100011218270 [0,2,0,0,0,0|1,1,0]=4 5138 B10R0.74 COCSCCCC(=O)OC 62a_100011218270_100000766300 [0,2,0,0,0,0|1,1,0]=4 5139 B10R0.74 CSCCCCOC(C)C#N 7a_100011217163_100000703298 [0,2,0,0,0,0|1,0,1]=4 5140 B10R0.74 CSCCCCOC(C)CO 34a_100011217163_100012180447 [0,2,0,0,0,0|0,0,2]=4 5141 B10R0.74 CSCCCCOC(C)CO 7a_100011217163_100012180447 [0,2,0,0,0,0|0,0,2]=4 5142 B10R0.74 CSCCCOCC(O)CO 34a_100000690336_100011219619 [0,2,0,0,0,0|0,0,2]=4 5143 B10R0.74 CSCCCOCC(O)CO 7a_100000690336_100011219619 [0,2,0,0,0,0|0,0,2]=4 5144 B10R0.74 CSCCCOC[C@@H](C)CO 34a_100000690336_100000059175 [0,2,0,0,0,0|0,0,2]=4 5145 B10R0.74 CSCCCOC[C@@H](C)CO 7a_100000690336_100000059175 [0,2,0,0,0,0|0,0,2]=4 5146 B10R0.74 CSCCCOC[C@@H](O)CF 34a_100000690336_100015614560 [0,2,0,0,0,0|0,0,2]=4 5147 B10R0.74 CSCCCOC[C@@H](O)CF 7a_100000690336_100015614560 [0,2,0,0,0,0|0,0,2]=4 5148 B10R0.74 CSCCCOC[C@@H](O)CO 34a_100000690336_100009815848 [0,2,0,0,0,0|0,0,2]=4 5149 B10R0.74 CSCCCOC[C@@H](O)CO 7a_100000690336_100009815848 [0,2,0,0,0,0|0,0,2]=4 5150 B10R0.74 CSCOCCCC(=O)NN 34a_100000211488_100011218213 [0,2,0,0,0,0|2,0,0]=4 5151 B10R0.74 O=C(CF)CCCCCCO 1458a_100011996774_100015361967 [0,2,0,0,0,0|2,0,0]=4 5152 B10R0.74 O=C(CO)CCCCCCF 1458a_100000210174_100015922095 [0,2,0,0,0,0|2,0,0]=4 5153 B10R0.74 O=C(CO)CCCCCCO 1458a_100000210174_100000766143 [0,2,0,0,0,0|2,0,0]=4 5154 B10R0.74 O=C(CO)NCCCCCO 240690a_100000762737_100000210174 [0,2,0,0,0,0|2,0,0]=4 5155 B10R0.75 C#CCCCOC(C)C(=O)C 34a_100000212229_100000695029 [0,2,0,0,0,0|1,0,1]=4 5156 B10R0.75 C#CCCCOC(C)C(=O)C 7a_100000215630_100000179758 [0,2,0,0,0,0|1,0,1]=4 5157 B10R0.75 C=C(Br)C(=O)NCCCSC 11a_100000749238_100009813364 [0,2,0,0,0,0|1,0,1]=4 5158 B10R0.75 C=C(Br)C(=O)NCCCSC 1626a_100000749238_100009813364 [0,2,0,0,0,0|1,0,1]=4 5159 B10R0.75 C=C(C)C(=O)CCCCCC 1458a_100000185857_100000210757 [0,2,0,0,0,0|2,0,0]=4 5160 B10R0.75 C=C(C)C(=O)CCCCOC 1458a_100000185857_100000755781 [0,2,0,0,0,0|1,1,0]=4 5161 B10R0.75 C=C(C)C(=O)NCCCCC 11a_100000209983_100000185857 [0,2,0,0,0,0|2,0,0]=4 5162 B10R0.75 C=C(C)C(=O)NCCCCC 1626a_100000209983_100000185857 [0,2,0,0,0,0|2,0,0]=4 5163 B10R0.75 C=C(C)C(=O)NCCCNC 2230a_100016987756_200000210301 [0,2,0,0,0,0|2,0,0]=4 5164 B10R0.75 C=C(C)C(=O)NCCCN[13CH3] 2230a_100016987756_200025704644 [0,2,0,0,0,0|2,0,0]=4 5165 B10R0.75 C=C(C)C(=O)NCCCOC 1626a_100150723488_100000185857 [0,2,0,0,0,0|1,1,0]=4 5166 B10R0.75 C=C(C)C(=O)NCCCSC 11a_100000749238_100000185857 [0,2,0,0,0,0|1,0,0]=3 5167 B10R0.75 C=C(C)C(=O)NCCCSC 1626a_100000749238_100000185857 [0,2,0,0,0,0|1,0,0]=3 5168 B10R0.75 C=C(C)C(=O)OCCCOC 7a_100000032641_200000210301 [0,2,0,0,0,0|0,1,0]=3 5169 B10R0.75 C=C(C)C(=O)OCCCO[13CH3] 7a_100000032641_200025704644 [0,2,0,0,0,0|0,1,0]=3 5170 B10R0.75 C=C(C)C(=O)OCCNCC 2230a_100015525214_100009816335 [0,2,0,0,0,0|2,0,0]=4 5171 B10R0.75 C=C(C)C(=O)OCCOCC 34a_100121572206_100009816335 [0,2,0,0,0,0|2,0,0]=4 5172 B10R0.75 C=C(C)C(=O)OCCSCC 62a_100000210202_100009816335 [0,2,0,0,0,0|2,0,0]=4 5173 B10R0.75 C=C(C)C(=O)OCCSCC 62a_100009816335_100000210202 [0,2,0,0,0,0|2,0,0]=4 5174 B10R0.75 C=C(C)C(C)NCCCSC 269862a_100000749238_100011216138 [0,2,0,0,0,0|2,0,0]=4 5175 B10R0.75 C=C(Cl)C(=O)NCCCSC 11a_100000749238_100000039160 [0,2,0,0,0,0|1,0,1]=4 5176 B10R0.75 C=C(Cl)C(=O)NCCCSC 1626a_100000749238_100000039160 [0,2,0,0,0,0|1,0,1]=4 5177 B10R0.75 C=C(F)C(=O)NCCCSC 11a_100000749238_100000036797 [0,2,0,0,0,0|1,0,1]=4 5178 B10R0.75 C=C(F)C(=O)NCCCSC 1626a_100000749238_100000036797 [0,2,0,0,0,0|1,0,1]=4 5179 B10R0.75 C=CCCCOC(C)C(=O)C 34a_100000212229_100000757094 [0,2,0,0,0,0|1,0,1]=4 5180 B10R0.75 C=CCCCOC(C)C(=O)C 7a_100000758997_100000179758 [0,2,0,0,0,0|1,0,1]=4 5181 B10R0.75 CC(=O)C(C)OCCCCCl 7a_100000210776_100000179758 [0,2,0,0,0,0|2,0,0]=4 5182 B10R0.75 CC(=O)C(C)OCCCCF 34a_100000212229_100000729493 [0,2,0,0,0,0|2,0,0]=4 5183 B10R0.75 CC(=O)C(C)OCCCCF 7a_100011995726_100000179758 [0,2,0,0,0,0|2,0,0]=4 5184 B10R0.75 CC(=O)C(C)OCCCCO 34a_100000212229_100011216708 [0,2,0,0,0,0|2,0,0]=4 5185 B10R0.75 CC(=O)N(C)CCCCCO 240690a_100000722520_100015343762 [0,2,0,0,0,0|2,0,0]=4 5186 B10R0.75 CCCCCCC(=O)C(C)C 1458a_100000210198_100000210757 [0,2,0,0,0,0|2,0,0]=4 5187 B10R0.75 CCCCCCC(=O)C(C)C 1458a_100102632555_100000210206 [0,2,0,0,0,0|2,0,0]=4 5188 B10R0.75 CCCCCCC(=O)C(C)F 1458a_100000062450_100000210757 [0,2,0,0,0,0|2,0,0]=4 5189 B10R0.75 CCCCCCC(=O)C(O)O 1458a_100000233687_100000210757 [0,2,0,0,0,0|2,0,0]=4 5190 B10R0.75 CCCCCCC(=O)N(C)C 11a_100102631434_100102632555 [0,2,0,0,0,0|2,0,0]=4 5191 B10R0.75 CCCCCCC(=O)N(C)C 1626a_100102631434_100102632555 [0,2,0,0,0,0|2,0,0]=4 5192 B10R0.75 CCCCCCC(=O)N(C)C 240690a_100102631434_100102632555 [0,2,0,0,0,0|2,0,0]=4 5193 B10R0.75 CCCCCCC(=O)N(C)C 527a_100102631434_100102632555 [0,2,0,0,0,0|2,0,0]=4 5194 B10R0.75 CCCCCCC(=O)[C@@H](C)O 1458a_100000717761_100000210757 [0,2,0,0,0,0|2,0,0]=4 5195 B10R0.75 CCCCCCC(=O)[C@H](C)O 1458a_217856618621_100000210757 [0,2,0,0,0,0|2,0,0]=4 5196 B10R0.75 CCCCCCC(C)C(=O)C 1458a_100000070787_100011215978 [0,2,0,0,0,0|2,0,0]=4 5197 B10R0.75 CCCCCCC(O)C(=O)C 1458a_100011215828_200000210301 [0,2,0,0,0,0|2,0,0]=4 5198 B10R0.75 CCCCCCC(O)C(=O)[13CH3] 1458a_100011215828_200025704644 [0,2,0,0,0,0|2,0,0]=4 5199 B10R0.75 CCCCCCN(C)C(=O)C 11a_106256046315_100015343762 [0,2,0,0,0,0|2,0,0]=4 5200 B10R0.75 CCCCCCN(C)C(=O)C 1626a_106256046315_100015343762 [0,2,0,0,0,0|2,0,0]=4 5201 B10R0.75 CCCCCCN(C)C(=O)C 240690a_106256046315_100015343762 [0,2,0,0,0,0|2,0,0]=4 5202 B10R0.75 CCCCCCN(C)C(=O)C 527a_106256046315_100103153847 [0,2,0,0,0,0|2,0,0]=4 5203 B10R0.75 CCCCCNC(=O)C(C)C 11a_100000209983_100000210198 [0,2,0,0,0,0|2,0,0]=4 5204 B10R0.75 CCCCCNC(=O)C(C)C 1626a_100000209983_100000210198 [0,2,0,0,0,0|2,0,0]=4 5205 B10R0.75 CCCCCNC(=O)C(C)C 240690a_100000209983_100000210198 [0,2,0,0,0,0|2,0,0]=4 5206 B10R0.75 CCCCCNC(=O)C(C)C 527a_100000209983_100000210198 [0,2,0,0,0,0|2,0,0]=4 5207 B10R0.75 CCCCCNC(=O)C(C)F 11a_100000209983_100000062450 [0,2,0,0,0,0|2,0,0]=4 5208 B10R0.75 CCCCCNC(=O)C(C)F 1626a_100000209983_100000062450 [0,2,0,0,0,0|2,0,0]=4 5209 B10R0.75 CCCCCNC(=O)C(C)F 240690a_100000209983_100000062450 [0,2,0,0,0,0|2,0,0]=4 5210 B10R0.75 CCCCCNC(=O)C(C)F 527a_100000209983_100000062450 [0,2,0,0,0,0|2,0,0]=4 5211 B10R0.75 CCCCCNC(=O)C(F)F 11a_100000209983_100000210393 [0,2,0,0,0,0|2,0,0]=4 5212 B10R0.75 CCCCCNC(=O)C(F)F 1626a_100000209983_100000210393 [0,2,0,0,0,0|2,0,0]=4 5213 B10R0.75 CCCCCNC(=O)C(F)F 240690a_100000209983_100000210393 [0,2,0,0,0,0|2,0,0]=4 5214 B10R0.75 CCCCCNC(=O)C(F)F 527a_100000209983_100000210393 [0,2,0,0,0,0|2,0,0]=4 5215 B10R0.75 CCCCCNC(=O)C(O)O 240690a_100000209983_100000233687 [0,2,0,0,0,0|2,0,0]=4 5216 B10R0.75 CCCCCNC(=O)N(C)C 2708a_100000209983_100102631434 [0,2,0,0,0,0|2,0,0]=4 5217 B10R0.75 CCCCCNC(=O)[C@@H](C)O 240690a_100000209983_100000717761 [0,2,0,0,0,0|2,0,0]=4 5218 B10R0.75 CCCCCNC(=O)[C@H](C)O 1626a_100000209983_217856618621 [0,2,0,0,0,0|2,0,0]=4 5219 B10R0.75 CCCCCNC(=O)[C@H](C)O 240690a_100000209983_217856618621 [0,2,0,0,0,0|2,0,0]=4 5220 B10R0.75 CCCCCNC(C)C(=O)C 2230a_100000209983_100009814033 [0,2,0,0,0,0|2,0,0]=4 5221 B10R0.75 CCCCCOC(C)C(=O)C 34a_100000212229_100000718602 [0,2,0,0,0,0|1,0,0]=3 5222 B10R0.75 CCCCCOC(C)C(=O)C 7a_100000210253_100000179758 [0,2,0,0,0,0|1,0,0]=3 5223 B10R0.75 CCCCCOC(C)C(=O)N 34a_100000210253_100000702099 [0,2,0,0,0,0|1,0,1]=4 5224 B10R0.75 CCCCCOC(C)C(=O)N 7a_100000210253_100000702099 [0,2,0,0,0,0|1,0,1]=4 5225 B10R0.75 CCCCCOC(F)C(=O)N 34a_100000210253_100009813875 [0,2,0,0,0,0|2,0,0]=4 5226 B10R0.75 CCCCCOC(F)C(=O)N 7a_100000210253_100009813875 [0,2,0,0,0,0|2,0,0]=4 5227 B10R0.75 CCCCCOC(F)C(=O)[O-] 34a_100000210253_100020610796 [0,2,0,0,0,0|2,0,0]=4 5228 B10R0.75 CCCCCO[C@@H](C)C(=O)[O-] 7a_217856618621_100000210326 [0,2,0,0,0,0|1,0,1]=4 5229 B10R0.75 CCCCCO[C@H](C)C(=O)N 34a_100000731257_100000718602 [0,2,0,0,0,0|1,0,1]=4 5230 B10R0.75 CCCCCO[C@H](C)C(=O)N 7a_100000731257_100000210326 [0,2,0,0,0,0|1,0,1]=4 5231 B10R0.75 CCCCCSC(C)C(=O)C 62a_100000210326_100009814033 [0,2,0,0,0,0|1,1,0]=4 5232 B10R0.75 CCCCCSC(C)C(=O)C 62a_100009814033_100000210326 [0,2,0,0,0,0|1,1,0]=4 5233 B10R0.75 CCCCOCC(=O)C(=O)C 34a_100000210227_100011261029 [0,2,0,0,0,0|2,0,0]=4 5234 B10R0.75 CCCCOCC(C)C(=O)C 34a_100000032740_100000210210 [0,2,0,0,0,0|2,0,0]=4 5235 B10R0.75 CCCCOCC(C)C(=O)C 7a_100000032740_100000210211 [0,2,0,0,0,0|2,0,0]=4 5236 B10R0.75 CCCCSCC(=O)C(=O)C 62a_100000210211_100011261029 [0,2,0,0,0,0|2,0,0]=4 5237 B10R0.75 CCCCSCC(=O)C(=O)C 62a_100011261029_100000210210 [0,2,0,0,0,0|2,0,0]=4 5238 B10R0.75 CCCSCOC(=O)C(C)C 62a_100000139345_100000210303 [0,2,0,0,0,0|2,0,0]=4 5239 B10R0.75 CCCSCOC(=O)C(C)C 62a_100000210303_100000139345 [0,2,0,0,0,0|2,0,0]=4 5240 B10R0.75 CCOCCOC(C)C(=O)C 1458a_100000743585_200000210301 [0,2,0,0,0,0|2,0,0]=4 5241 B10R0.75 CCOCCOC(C)C(=O)C 34a_100000212229_100000210147 [0,2,0,0,0,0|2,0,0]=4 5242 B10R0.75 CCOCCOC(C)C(=O)C 7a_100000210136_100000179758 [0,2,0,0,0,0|2,0,0]=4 5243 B10R0.75 CCOCCOC(C)C(=O)[13CH3] 1458a_100000743585_200025704644 [0,2,0,0,0,0|2,0,0]=4 5244 B10R0.75 CCSCCNC(C)C(=O)C 2230a_100000106463_100009814033 [0,2,0,0,0,0|2,0,0]=4 5245 B10R0.75 CCSCCOC(C)C(=O)C 34a_100000212229_100000757381 [0,2,0,0,0,0|2,0,0]=4 5246 B10R0.75 CCSCCOC(C)C(=O)C 7a_100000212035_100000179758 [0,2,0,0,0,0|2,0,0]=4 5247 B10R0.75 CCSCCSC(C)C(=O)C 62a_100000757381_100009814033 [0,2,0,0,0,0|2,0,0]=4 5248 B10R0.75 CCSCCSC(C)C(=O)C 62a_100009814033_100000757381 [0,2,0,0,0,0|2,0,0]=4 5249 B10R0.75 CN(C)C(=O)CCCCS[13CH3] 62a_100000752486_200025704644 [0,2,0,0,0,0|1,0,0]=3 5250 B10R0.75 CN(C)C(=O)CCCCS[13CH3] 62a_200025704644_100000752486 [0,2,0,0,0,0|1,0,0]=3 5251 B10R0.75 CNCCCCC(=O)N(C)C 34a_100102657272_100000752486 [0,2,0,0,0,0|2,0,0]=4 5252 B10R0.75 CNCCCCC(=O)N(C)C 7a_106832991635_100000752486 [0,2,0,0,0,0|2,0,0]=4 5253 B10R0.75 CNCCCOC(C)C(=O)N 34a_100000213112_100000702099 [0,2,0,0,0,0|1,0,1]=4 5254 B10R0.75 CNCCCOC(F)C(=O)N 34a_100000213112_100009813875 [0,2,0,0,0,0|2,0,0]=4 5255 B10R0.75 CNCCCOC(F)C(=O)[O-] 34a_100000213112_100020610796 [0,2,0,0,0,0|2,0,0]=4 5256 B10R0.75 COCCCCC(=O)C(C)C 1458a_100000210198_100000755781 [0,2,0,0,0,0|1,1,0]=4 5257 B10R0.75 COCCCCC(=O)C(C)F 1458a_100000062450_100000755781 [0,2,0,0,0,0|1,1,0]=4 5258 B10R0.75 COCCCCC(=O)C(O)O 1458a_100000233687_100000755781 [0,2,0,0,0,0|1,1,0]=4 5259 B10R0.75 COCCCCC(=O)N(C)C 34a_100138415774_100000752486 [0,2,0,0,0,0|1,1,0]=4 5260 B10R0.75 COCCCCC(=O)[C@@H](C)O 1458a_100000717761_100000755781 [0,2,0,0,0,0|1,1,0]=4 5261 B10R0.75 COCCCCC(=O)[C@H](C)O 1458a_217856618621_100000755781 [0,2,0,0,0,0|1,1,0]=4 5262 B10R0.75 COCCCNC(=O)C(C)C 1626a_100150723488_100000210198 [0,2,0,0,0,0|1,1,0]=4 5263 B10R0.75 COCCCNC(=O)C(C)C 240690a_100150723488_100000210198 [0,2,0,0,0,0|1,1,0]=4 5264 B10R0.75 COCCCNC(=O)C(C)C 527a_100150723488_100000210198 [0,2,0,0,0,0|1,1,0]=4 5265 B10R0.75 COCCCNC(=O)C(C)F 1626a_100150723488_100000062450 [0,2,0,0,0,0|1,1,0]=4 5266 B10R0.75 COCCCNC(=O)C(C)F 240690a_100150723488_100000062450 [0,2,0,0,0,0|1,1,0]=4 5267 B10R0.75 COCCCNC(=O)C(C)F 527a_100150723488_100000062450 [0,2,0,0,0,0|1,1,0]=4 5268 B10R0.75 COCCCNC(=O)C(F)F 1626a_100150723488_100000210393 [0,2,0,0,0,0|1,1,0]=4 5269 B10R0.75 COCCCNC(=O)C(F)F 240690a_100150723488_100000210393 [0,2,0,0,0,0|1,1,0]=4 5270 B10R0.75 COCCCNC(=O)C(F)F 527a_100150723488_100000210393 [0,2,0,0,0,0|1,1,0]=4 5271 B10R0.75 COCCCNC(=O)C(O)O 240690a_100150723488_100000233687 [0,2,0,0,0,0|1,1,0]=4 5272 B10R0.75 COCCCNC(=O)N(C)C 2708a_100150723488_100102631434 [0,2,0,0,0,0|1,1,0]=4 5273 B10R0.75 COCCCNC(=O)[C@@H](C)O 240690a_100150723488_100000717761 [0,2,0,0,0,0|1,1,0]=4 5274 B10R0.75 COCCCNC(=O)[C@H](C)O 1626a_100150723488_217856618621 [0,2,0,0,0,0|1,1,0]=4 5275 B10R0.75 COCCCNC(=O)[C@H](C)O 240690a_100150723488_217856618621 [0,2,0,0,0,0|1,1,0]=4 5276 B10R0.75 COCCCOC(C)C(=O)C 34a_100000212229_100000740836 [0,2,0,0,0,0|0,1,0]=3 5277 B10R0.75 COCCCOC(C)C(=O)N 34a_100000740835_100000702099 [0,2,0,0,0,0|0,1,1]=4 5278 B10R0.75 COCCCOC(F)C(=O)N 34a_100000740835_100009813875 [0,2,0,0,0,0|1,1,0]=4 5279 B10R0.75 COCCCOC(F)C(=O)[O-] 34a_100000740835_100020610796 [0,2,0,0,0,0|1,1,0]=4 5280 B10R0.75 COCCCO[C@@H](C)C(=O)[O-] 7a_217856618621_100000740836 [0,2,0,0,0,0|0,1,1]=4 5281 B10R0.75 COCCCO[C@H](C)C(=O)N 34a_100000731257_100000740836 [0,2,0,0,0,0|0,1,1]=4 5282 B10R0.75 COCCCO[C@H](C)C(=O)N 7a_100000731257_100000740836 [0,2,0,0,0,0|0,1,1]=4 5283 B10R0.75 COCCCSC(C)C(=O)C 62a_100000709357_100009814033 [0,2,0,0,0,0|0,2,0]=4 5284 B10R0.75 COCCCSC(C)C(=O)C 62a_100009814033_100000709357 [0,2,0,0,0,0|0,2,0]=4 5285 B10R0.75 COCCOCC(=O)C(=O)C 34a_100000210237_100011261029 [0,2,0,0,0,0|1,1,0]=4 5286 B10R0.75 COCCOCC(C)C(=O)C 34a_100000032740_100011201679 [0,2,0,0,0,0|1,1,0]=4 5287 B10R0.75 COCCOCC(C)C(=O)C 7a_100000032740_100000233755 [0,2,0,0,0,0|1,1,0]=4 5288 B10R0.75 COCCSCC(=O)C(=O)C 62a_100000233755_100011261029 [0,2,0,0,0,0|1,1,0]=4 5289 B10R0.75 COCCSCC(=O)C(=O)C 62a_100011261029_100000233755 [0,2,0,0,0,0|1,1,0]=4 5290 B10R0.75 COCSCOC(=O)C(C)C 62a_100000139345_100000766300 [0,2,0,0,0,0|1,1,0]=4 5291 B10R0.75 COCSCOC(=O)C(C)C 62a_100000766300_100000139345 [0,2,0,0,0,0|1,1,0]=4 5292 B10R0.75 CSCCCCC(=O)N(C)C 62a_100000752486_200000210301 [0,2,0,0,0,0|1,0,0]=3 5293 B10R0.75 CSCCCCC(=O)N(C)C 62a_200000210301_100000752486 [0,2,0,0,0,0|1,0,0]=3 5294 B10R0.75 CSCCCNC(=O)C(=O)N 240690a_100000749238_100011215815 [0,2,0,0,0,0|1,0,1]=4 5295 B10R0.75 CSCCCNC(=O)C(C)C 11a_100000749238_100000210198 [0,2,0,0,0,0|1,0,0]=3 5296 B10R0.75 CSCCCNC(=O)C(C)C 1626a_100000749238_100000210198 [0,2,0,0,0,0|1,0,0]=3 5297 B10R0.75 CSCCCNC(=O)C(C)C 240690a_100000749238_100000210198 [0,2,0,0,0,0|1,0,0]=3 5298 B10R0.75 CSCCCNC(=O)C(C)C 527a_100000749238_100000210198 [0,2,0,0,0,0|1,0,0]=3 5299 B10R0.75 CSCCCNC(=O)C(C)F 11a_100000749238_100000062450 [0,2,0,0,0,0|1,0,0]=3 5300 B10R0.75 CSCCCNC(=O)C(C)F 1626a_100000749238_100000062450 [0,2,0,0,0,0|1,0,0]=3 5301 B10R0.75 CSCCCNC(=O)C(C)F 240690a_100000749238_100000062450 [0,2,0,0,0,0|1,0,0]=3 5302 B10R0.75 CSCCCNC(=O)C(C)F 527a_100000749238_100000062450 [0,2,0,0,0,0|1,0,0]=3 5303 B10R0.75 CSCCCNC(=O)C(F)F 11a_100000749238_100000210393 [0,2,0,0,0,0|1,0,0]=3 5304 B10R0.75 CSCCCNC(=O)C(F)F 1626a_100000749238_100000210393 [0,2,0,0,0,0|1,0,0]=3 5305 B10R0.75 CSCCCNC(=O)C(F)F 240690a_100000749238_100000210393 [0,2,0,0,0,0|1,0,0]=3 5306 B10R0.75 CSCCCNC(=O)C(F)F 527a_100000749238_100000210393 [0,2,0,0,0,0|1,0,0]=3 5307 B10R0.75 CSCCCNC(=O)C(O)O 240690a_100000749238_100000233687 [0,2,0,0,0,0|1,0,0]=3 5308 B10R0.75 CSCCCNC(=O)N(C)C 2708a_100000749238_100102631434 [0,2,0,0,0,0|1,0,0]=3 5309 B10R0.75 CSCCCNC(=O)[C@@H](C)O 240690a_100000749238_100000717761 [0,2,0,0,0,0|1,0,0]=3 5310 B10R0.75 CSCCCNC(=O)[C@H](C)O 1626a_100000749238_217856618621 [0,2,0,0,0,0|1,0,0]=3 5311 B10R0.75 CSCCCNC(=O)[C@H](C)O 240690a_100000749238_217856618621 [0,2,0,0,0,0|1,0,0]=3 5312 B10R0.75 CSCCCNC(C)C(=O)C 2230a_100000749238_100009814033 [0,2,0,0,0,0|1,0,0]=3 5313 B10R0.75 CSCCCNC(C)C(=O)N 2230a_100000749238_100000702099 [0,2,0,0,0,0|1,0,1]=4 5314 B10R0.75 CSCCCNC(F)C(=O)N 2230a_100000749238_100009813875 [0,2,0,0,0,0|2,0,0]=4 5315 B10R0.75 CSCCCOC(C)C(=O)C 7a_100000690336_100000179758 [0,2,0,0,0,0|0,0,0]=2 5316 B10R0.75 CSCCCOC(C)C(=O)N 34a_100000690336_100000702099 [0,2,0,0,0,0|0,0,1]=3 5317 B10R0.75 CSCCCOC(C)C(=O)N 7a_100000690336_100000702099 [0,2,0,0,0,0|0,0,1]=3 5318 B10R0.75 CSCCCOC(F)C(=O)N 34a_100000690336_100009813875 [0,2,0,0,0,0|1,0,0]=3 5319 B10R0.75 CSCCCOC(F)C(=O)N 7a_100000690336_100009813875 [0,2,0,0,0,0|1,0,0]=3 5320 B10R0.75 CSCCCOC(F)C(=O)[O-] 34a_100000690336_100020610796 [0,2,0,0,0,0|1,0,0]=3 5321 B10R0.75 CSCCNCC(=O)C(C)C 2230a_100020590264_100000753385 [0,2,0,0,0,0|2,0,0]=4 5322 B10R0.75 CSCCNCC(=O)N(C)C 2230a_100015183351_100000751147 [0,2,0,0,0,0|2,0,0]=4 5323 B10R0.75 CSCCNCC(=O)N(C)C 2230a_100020590264_100000185267 [0,2,0,0,0,0|2,0,0]=4 5324 B10R0.75 CSCCNCC(C)C(=O)O 269956a_100000749485_100000212216 [0,2,0,0,0,0|2,0,0]=4 5325 B10R0.75 CSCCNCC(F)C(=O)O 269956a_100000084737_100000212216 [0,2,0,0,0,0|2,0,0]=4 5326 B10R0.75 CSCCOCC(=O)C(=O)C 34a_100000230434_100011261029 [0,2,0,0,0,0|1,0,0]=3 5327 B10R0.75 CSCCOCC(=O)C(C)C 34a_100000230434_100000753385 [0,2,0,0,0,0|2,0,0]=4 5328 B10R0.75 CSCCOCC(=O)C(C)C 7a_100000230434_100000753385 [0,2,0,0,0,0|2,0,0]=4 5329 B10R0.75 CSCCOCC(=O)N(C)C 34a_100000230434_100000692301 [0,2,0,0,0,0|2,0,0]=4 5330 B10R0.75 CSCCOCC(=O)N(C)C 7a_100000230434_100000692301 [0,2,0,0,0,0|2,0,0]=4 5331 B10R0.75 CSCCOCC(C)C(=O)C 34a_100000032740_100000212216 [0,2,0,0,0,0|1,0,0]=3 5332 B10R0.75 CSCCOCC(C)C(=O)C 7a_100000032740_100000212216 [0,2,0,0,0,0|1,0,0]=3 5333 B10R0.75 CSCCOC[C@H](N)C(=O)N 34a_100000729942_100000212216 [0,2,0,0,0,0|2,0,0]=4 5334 B10R0.75 CSCCSCC(=O)C(=O)C 62a_100000212216_100011261029 [0,2,0,0,0,0|1,0,0]=3 5335 B10R0.75 CSCCSCC(=O)C(=O)C 62a_100011261029_100000751147 [0,2,0,0,0,0|1,0,0]=3 5336 B10R0.75 CSCCSCC(=O)C(C)C 62a_100000212216_100000753385 [0,2,0,0,0,0|2,0,0]=4 5337 B10R0.75 CSCCSCC(=O)C(C)C 62a_100000753385_100000751147 [0,2,0,0,0,0|2,0,0]=4 5338 B10R0.75 CSCCSCC(=O)N(C)C 62a_100000212216_100000692301 [0,2,0,0,0,0|2,0,0]=4 5339 B10R0.75 CSCCSCC(=O)N(C)C 62a_100000692301_100000751147 [0,2,0,0,0,0|2,0,0]=4 5340 B10R0.75 CSCNCCC(=O)N(C)C 2230a_100000738053_100011218213 [0,2,0,0,0,0|2,0,0]=4 5341 B10R0.75 CSCOCCC(=O)N(C)C 34a_200000747469_100011218213 [0,2,0,0,0,0|2,0,0]=4 5342 B10R0.75 CSCSCCC(=O)N(C)C 62a_100000737620_100011218213 [0,2,0,0,0,0|2,0,0]=4 5343 B10R0.75 CSCSCCC(=O)N(C)C 62a_100011218213_100000737620 [0,2,0,0,0,0|2,0,0]=4 5344 B10R0.75 CSCSCOC(=O)C(C)C 62a_100000139345_100011218213 [0,2,0,0,0,0|1,0,0]=3 5345 B10R0.75 CSCSCOC(=O)C(C)C 62a_100011218213_100000139345 [0,2,0,0,0,0|1,0,0]=3 5346 B10R0.78 C#CCCC(=O)COC(=O)C 1458a_100000183556_100000753159 [0,2,0,0,0,0|1,0,1]=4 5347 B10R0.78 C/C=C/CC(=O)COC(=O)C 1458a_100000183556_100102629194 [0,2,0,0,0,0|1,0,1]=4 5348 B10R0.78 C=C(C)CCC(=O)CCSC 1458a_100000174002_100000730704 [0,2,0,0,0,0|2,0,0]=4 5349 B10R0.78 C=C(C)CCC(=O)CCSC 1458a_200000688413_100000751147 [0,2,0,0,0,0|2,0,0]=4 5350 B10R0.78 C=C(C)CCN(C)CCSC 2230a_100000686725_100000730704 [0,2,0,0,0,0|2,0,0]=4 5351 B10R0.78 C=C(C)CCN(C)CCSC 269982a_100000686725_100000730704 [0,2,0,0,0,0|2,0,0]=4 5352 B10R0.78 C=C(C)COC(C)CCCC 34a_100000210245_200011215066 [0,2,0,0,0,0|2,0,0]=4 5353 B10R0.78 C=C(C)COC(C)CCCC 34a_100000687866_100000748629 [0,2,0,0,0,0|2,0,0]=4 5354 B10R0.78 C=C(C)COC(C)CCCC 7a_100000687866_100000748629 [0,2,0,0,0,0|2,0,0]=4 5355 B10R0.78 C=CCCC(=O)COC(=O)C 1458a_100000183556_100000754431 [0,2,0,0,0,0|1,0,1]=4 5356 B10R0.78 C=CCCN(C)COC(=O)C 269982a_100020639649_100000076356 [0,2,0,0,0,0|1,0,1]=4 5357 B10R0.78 C=CCNC(C)COC(=O)C 270004a_100020586998_100000000629 [0,2,0,0,0,0|1,0,1]=4 5358 B10R0.78 CC#CCC(=O)COC(=O)C 1458a_100000183556_100000748600 [0,2,0,0,0,0|1,0,1]=4 5359 B10R0.78 CC(=O)NC[C@H](C)CCCO 240690a_100160569302_100015343762 [0,2,0,0,0,0|2,0,0]=4 5360 B10R0.78 CC(=O)NC[C@H](C)CCCO 527a_100160569302_100103153847 [0,2,0,0,0,0|2,0,0]=4 5361 B10R0.78 CC(=O)OCC(=O)CCC#N 1458a_100000183556_100011215226 [0,2,0,0,0,0|2,0,0]=4 5362 B10R0.78 CC(=O)OCC(=O)CCCF 1458a_100000183556_100011934791 [0,2,0,0,0,0|1,0,1]=4 5363 B10R0.78 CC(=O)OCC(=O)CCCO 1458a_100000183556_100011215043 [0,2,0,0,0,0|1,0,1]=4 5364 B10R0.78 CC(=O)OCC(=O)CSCF 62a_100000036994_100015361967 [0,2,0,0,0,0|0,0,1]=3 5365 B10R0.78 CC(=O)OCC(=O)CSCF 62a_100015361967_100000036994 [0,2,0,0,0,0|0,0,1]=3 5366 B10R0.78 CC(=O)OCC(C)NCCO 270004a_100000210304_100000000629 [0,2,0,0,0,0|2,0,0]=4 5367 B10R0.78 CC(=O)OCC(O)CSCF 62a_100015361967_200000139349 [0,2,0,0,0,0|0,0,0]=2 5368 B10R0.78 CC(=O)OCC(O)CSCF 62a_200000139349_100015361967 [0,2,0,0,0,0|0,0,0]=2 5369 B10R0.78 CC(=O)OCN(C)CCCO 269982a_100000213112_100000076356 [0,2,0,0,0,0|2,0,0]=4 5370 B10R0.78 CC(=O)SCC(C)CSCF 62a_100015361967_200000116872 [0,2,0,0,0,0|0,1,0]=3 5371 B10R0.78 CC(=O)SCC(C)CSCF 62a_200000116872_100015361967 [0,2,0,0,0,0|0,1,0]=3 5372 B10R0.78 CC=CCC(=O)COC(=O)C 1458a_100000183556_100000070051 [0,2,0,0,0,0|1,0,1]=4 5373 B10R0.78 CCCCC(=O)CNC(=O)C 1458a_100000194580_100000210211 [0,2,0,0,0,0|2,0,0]=4 5374 B10R0.78 CCCCC(=O)COC(=O)C 1458a_100000183556_100000210211 [0,2,0,0,0,0|1,0,0]=3 5375 B10R0.78 CCCCC(=O)CSC(=O)C 1458a_100000049016_100000210211 [0,2,0,0,0,0|1,1,0]=4 5376 B10R0.78 CCCCC(C)CCC(=O)C 1458a_100000033779_200000210301 [0,2,0,0,0,0|2,0,0]=4 5377 B10R0.78 CCCCC(C)CCC(=O)[13CH3] 1458a_100000033779_200025704644 [0,2,0,0,0,0|2,0,0]=4 5378 B10R0.78 CCCCC(C)OCC(=O)C 34a_100000211253_200011215066 [0,2,0,0,0,0|1,0,0]=3 5379 B10R0.78 CCCCC(C)OCC(=O)N 34a_100000687866_100000187820 [0,2,0,0,0,0|2,0,0]=4 5380 B10R0.78 CCCCC(C)OCC(=O)N 7a_100000687866_100000187820 [0,2,0,0,0,0|2,0,0]=4 5381 B10R0.78 CCCCC(C)OCC(=O)[O-] 34a_100000687866_100020667443 [0,2,0,0,0,0|2,0,0]=4 5382 B10R0.78 CCCCN(C)CCC(=O)C 269982a_100000207549_100000053229 [0,2,0,0,0,0|2,0,0]=4 5383 B10R0.78 CCCCN(C)COC(=O)C 269982a_100000207549_100000076356 [0,2,0,0,0,0|1,0,0]=3 5384 B10R0.78 CCCNC(=O)COC(=O)C 1626a_100020643023_100000183556 [0,2,0,0,0,0|1,0,1]=4 5385 B10R0.78 CCCNC(=O)COC(=O)C 240690a_100020643023_100000183556 [0,2,0,0,0,0|1,0,1]=4 5386 B10R0.78 CCCNC(=O)COC(=O)C 527a_100020643023_100000183556 [0,2,0,0,0,0|1,0,1]=4 5387 B10R0.78 CCCNC(C)COC(=O)C 270004a_100020643023_100000000629 [0,2,0,0,0,0|1,0,0]=3 5388 B10R0.78 CCCOC(C)CNC(=O)C 11a_100015185124_100015343762 [0,2,0,0,0,0|2,0,0]=4 5389 B10R0.78 CCCOC(C)CNC(=O)C 1626a_100015185124_100015343762 [0,2,0,0,0,0|2,0,0]=4 5390 B10R0.78 CCCOC(C)CNC(=O)C 240690a_100015185124_100015343762 [0,2,0,0,0,0|2,0,0]=4 5391 B10R0.78 CCCOC(C)CNC(=O)C 527a_100015185124_100103153847 [0,2,0,0,0,0|2,0,0]=4 5392 B10R0.78 CCNCC(C)CSC(=O)C 2230a_100015525214_200000116872 [0,2,0,0,0,0|1,1,0]=4 5393 B10R0.78 CCOCC(=O)COC(=O)C 34a_100121572206_100000036994 [0,2,0,0,0,0|0,1,1]=4 5394 B10R0.78 CCOCC(C)CSC(=O)C 34a_100121572206_200000116872 [0,2,0,0,0,0|0,2,0]=4 5395 B10R0.78 CCOCC(O)CNC(=O)C 240690a_102515437182_100015343762 [0,2,0,0,0,0|1,1,0]=4 5396 B10R0.78 CCOCC(O)CNC(=O)C 527a_102515437182_100103153847 [0,2,0,0,0,0|1,1,0]=4 5397 B10R0.78 CCOCC(O)COC(=O)C 34a_100121572206_200000139349 [0,2,0,0,0,0|0,1,0]=3 5398 B10R0.78 CCSCC(=O)COC(=O)C 62a_100000036994_100000210202 [0,2,0,0,0,0|0,0,1]=3 5399 B10R0.78 CCSCC(=O)COC(=O)C 62a_100000210202_100000036994 [0,2,0,0,0,0|0,0,1]=3 5400 B10R0.78 CCSCC(C)CSC(=O)C 62a_100000210202_200000116872 [0,2,0,0,0,0|0,1,0]=3 5401 B10R0.78 CCSCC(C)CSC(=O)C 62a_200000116872_100000210202 [0,2,0,0,0,0|0,1,0]=3 5402 B10R0.78 CCSCC(O)COC(=O)C 62a_100000210202_200000139349 [0,2,0,0,0,0|0,0,0]=2 5403 B10R0.78 CCSCC(O)COC(=O)C 62a_200000139349_100000210202 [0,2,0,0,0,0|0,0,0]=2 5404 B10R0.78 COCCC(=O)CNC(=O)C 1458a_100000194580_100000233755 [0,2,0,0,0,0|1,1,0]=4 5405 B10R0.78 COCCC(=O)COC(=O)C 1458a_100000183556_100000233755 [0,2,0,0,0,0|0,1,0]=3 5406 B10R0.78 COCCC(=O)CSC(=O)C 1458a_100000049016_100000233755 [0,2,0,0,0,0|0,2,0]=4 5407 B10R0.78 COCCN(C)CCC(=O)C 1458a_200103286627_200000210301 [0,2,0,0,0,0|1,1,0]=4 5408 B10R0.78 COCCN(C)CCC(=O)C 269982a_100000743101_100000053229 [0,2,0,0,0,0|1,1,0]=4 5409 B10R0.78 COCCN(C)CCC(=O)[13CH3] 1458a_200103286627_200025704644 [0,2,0,0,0,0|1,1,0]=4 5410 B10R0.78 COCCN(C)COC(=O)C 269982a_100000743101_100000076356 [0,2,0,0,0,0|0,1,0]=3 5411 B10R0.78 CSCCC(=NNC(=O)C)C 4a_100000189765_100011217047 [0,2,0,0,0,0|1,0,1]=4 5412 B10R0.78 CSCCC(=O)CC=C(C)C 1458a_100000174002_100000761012 [0,2,0,0,0,0|2,0,0]=4 5413 B10R0.78 CSCCC(=O)CC=C(C)C 1458a_100011220947_100000751147 [0,2,0,0,0,0|2,0,0]=4 5414 B10R0.78 CSCCC(=O)CCC(=O)N 1458a_100011215257_100000751147 [0,2,0,0,0,0|2,0,0]=4 5415 B10R0.78 CSCCC(=O)CNC(=O)C 1458a_100000194580_100000751147 [0,2,0,0,0,0|1,0,0]=3 5416 B10R0.78 CSCCC(=O)CNC(=O)N 1458a_100000184981_100000751147 [0,2,0,0,0,0|2,0,0]=4 5417 B10R0.78 CSCCC(=O)COC(=O)C 1458a_100000183556_100000751147 [0,2,0,0,0,0|0,0,0]=2 5418 B10R0.78 CSCCC(=O)COC(C)C 1458a_100000745533_100000751147 [0,2,0,0,0,0|1,0,1]=4 5419 B10R0.78 CSCCC(=O)CSC(=O)C 1458a_100000049016_100000751147 [0,2,0,0,0,0|0,1,0]=3 5420 B10R0.78 CSCCC(=O)NNC(=O)C 22a_100000189765_100000174002 [0,2,0,0,0,0|1,0,1]=4 5421 B10R0.78 CSCCN(C)CC=C(C)C 2230a_100000686725_100000761012 [0,2,0,0,0,0|2,0,0]=4 5422 B10R0.78 CSCCN(C)CC=C(C)C 269982a_100000686725_100000761012 [0,2,0,0,0,0|2,0,0]=4 5423 B10R0.78 CSCCN(C)CCC(=O)C 269982a_100000686725_100000053229 [0,2,0,0,0,0|1,0,0]=3 5424 B10R0.78 CSCCN(C)CCC(=O)N 2230a_100000686725_100000744528 [0,2,0,0,0,0|2,0,0]=4 5425 B10R0.78 CSCCN(C)CCC(=O)N 2230a_100000730477_100000751147 [0,2,0,0,0,0|2,0,0]=4 5426 B10R0.78 CSCCN(C)CCC(=O)N 269982a_100000686725_100000744528 [0,2,0,0,0,0|2,0,0]=4 5427 B10R0.78 CSCCN(C)COC(=O)C 269982a_100000686725_100000076356 [0,2,0,0,0,0|0,0,0]=2 5428 B10R0.78 CSCCN(C)COC(C)C 2230a_100000686725_100000709892 [0,2,0,0,0,0|1,0,1]=4 5429 B10R0.78 CSCCN(C)COC(C)C 269982a_100000686725_100000709892 [0,2,0,0,0,0|1,0,1]=4 5430 B10R0.78 CSCC[C@H](N)COC(C)C 34a_100011827619_100000210206 [0,2,0,0,0,0|1,0,1]=4 5431 B10R0.97 C=C(Br)CCOCOC(=O)C 34a_100009813270_100009813279 [0,2,0,0,0,0|1,0,1]=4 5432 B10R0.97 C=C(C)CCOCCC(=O)C 34a_100000759926_100000730704 [0,2,0,0,0,0|2,0,0]=4 5433 B10R0.97 C=C(C)CCOCCC(=O)C 7a_100000759926_100000730704 [0,2,0,0,0,0|2,0,0]=4 5434 B10R0.97 C=C(C)CCOCOC(=O)C 34a_100000764851_100009813279 [0,2,0,0,0,0|1,0,0]=3 5435 B10R0.97 C=C(C)CCSCCC(=O)C 62a_100000053229_100000730704 [0,2,0,0,0,0|2,0,0]=4 5436 B10R0.97 C=C(C)CCSCCC(=O)C 62a_100000730704_100000053229 [0,2,0,0,0,0|2,0,0]=4 5437 B10R0.97 C=C(C)CCSCOC(=O)C 62a_100000076356_100000730704 [0,2,0,0,0,0|1,0,0]=3 5438 B10R0.97 C=C(C)CCSCOC(=O)C 62a_100000730704_100000076356 [0,2,0,0,0,0|1,0,0]=3 5439 B10R0.97 C=C(C)CNCCNC(=O)C 2230a_100000209853_100000748629 [0,2,0,0,0,0|2,0,0]=4 5440 B10R0.97 C=C(C)COCCCC(=O)C 34a_100000210245_100000685027 [0,2,0,0,0,0|2,0,0]=4 5441 B10R0.97 C=C(C)COCCCC(=O)C 34a_100000759063_100000748629 [0,2,0,0,0,0|2,0,0]=4 5442 B10R0.97 C=C(C)COCCCC(=O)C 7a_100000759063_100000748629 [0,2,0,0,0,0|2,0,0]=4 5443 B10R0.97 C=C(C)COCCCC(C)C 34a_100000210245_100011214892 [0,2,0,0,0,0|2,0,0]=4 5444 B10R0.97 C=C(C)COCCCC(C)C 34a_100000210774_100000748629 [0,2,0,0,0,0|2,0,0]=4 5445 B10R0.97 C=C(C)COCCCC(C)C 7a_100000210774_100000748629 [0,2,0,0,0,0|2,0,0]=4 5446 B10R0.97 C=C(C)COCCCC(C)O 34a_100000210245_200000718107 [0,2,0,0,0,0|2,0,0]=4 5447 B10R0.97 C=C(C)COCCNC(=O)C 34a_100000158858_100000748629 [0,2,0,0,0,0|2,0,0]=4 5448 B10R0.97 C=C(C)COCCOC(=O)C 34a_100000210245_100009814007 [0,2,0,0,0,0|1,0,0]=3 5449 B10R0.97 C=C(C)COCCOC(=O)N 34a_100000210245_200011214921 [0,2,0,0,0,0|2,0,0]=4 5450 B10R0.97 C=C(C)COCCOC(=O)N 7a_100000766696_100000748629 [0,2,0,0,0,0|2,0,0]=4 5451 B10R0.97 C=C(C)CSCCCC(=O)C 62a_100000748629_100011215641 [0,2,0,0,0,0|2,0,0]=4 5452 B10R0.97 C=C(C)CSCCCC(=O)C 62a_100011215641_100000211660 [0,2,0,0,0,0|2,0,0]=4 5453 B10R0.97 C=C(C)CSCCNC(=O)C 62a_100000189650_100000211660 [0,2,0,0,0,0|2,0,0]=4 5454 B10R0.97 C=C(C)CSCCNC(=O)C 62a_100000748629_100000189650 [0,2,0,0,0,0|2,0,0]=4 5455 B10R0.97 C=C(C)CSCCOC(=O)C 62a_100000748629_100009814007 [0,2,0,0,0,0|1,0,0]=3 5456 B10R0.97 C=C(C)CSCCOC(=O)C 62a_100009814007_100000211660 [0,2,0,0,0,0|1,0,0]=3 5457 B10R0.97 C=C(C)CSCCOC(=O)N 62a_100000748629_200011214921 [0,2,0,0,0,0|2,0,0]=4 5458 B10R0.97 C=C(C)CSCCOC(=O)N 62a_200011214921_100000211660 [0,2,0,0,0,0|2,0,0]=4 5459 B10R0.97 C=C(F)COCCOC(=O)C 34a_200010262243_100009814007 [0,2,0,0,0,0|1,0,1]=4 5460 B10R0.97 C=C(F)CSCCOC(=O)C 62a_100000042424_100009814007 [0,2,0,0,0,0|1,0,1]=4 5461 B10R0.97 C=C(F)CSCCOC(=O)C 62a_100009814007_100000042424 [0,2,0,0,0,0|1,0,1]=4 5462 B10R0.97 CC(=O)CCCCCC(C)C 1458a_100000070787_100000210682 [0,2,0,0,0,0|2,0,0]=4 5463 B10R0.97 CC(=O)CCCCCC(C)C 1458a_100000766313_200000210301 [0,2,0,0,0,0|2,0,0]=4 5464 B10R0.97 CC(=O)CCCCNC(C)C 34a_100138425928_100009817362 [0,2,0,0,0,0|2,0,0]=4 5465 B10R0.97 CC(=O)CCCCOC(=O)C 1458a_100000070787_100000033659 [0,2,0,0,0,0|1,0,0]=3 5466 B10R0.97 CC(=O)CCCCOC(C)C 34a_100000212225_100009817362 [0,2,0,0,0,0|1,1,0]=4 5467 B10R0.97 CC(=O)CCCCSC(=O)C 1458a_100000070787_200010402107 [0,2,0,0,0,0|1,0,0]=3 5468 B10R0.97 CC(=O)CCCCSC(C)C 62a_100000210206_100000735457 [0,2,0,0,0,0|1,0,0]=3 5469 B10R0.97 CC(=O)CCCCSC(C)C 62a_100000735457_100000210206 [0,2,0,0,0,0|1,0,0]=3 5470 B10R0.97 CC(=O)CCCNCC(C)C 34a_100000210953_100000685027 [0,2,0,0,0,0|2,0,0]=4 5471 B10R0.97 CC(=O)CCCNCC(C)O 34a_100000210904_100000685027 [0,2,0,0,0,0|2,0,0]=4 5472 B10R0.97 CC(=O)CCCOCC(=O)C 34a_100000211253_100000685027 [0,2,0,0,0,0|1,0,0]=3 5473 B10R0.97 CC(=O)CCCOCC(=O)N 34a_100000759063_100000187820 [0,2,0,0,0,0|2,0,0]=4 5474 B10R0.97 CC(=O)CCCOCC(=O)N 7a_100000759063_100000187820 [0,2,0,0,0,0|2,0,0]=4 5475 B10R0.97 CC(=O)CCCOCC(=O)[O-] 34a_100000759063_100020667443 [0,2,0,0,0,0|2,0,0]=4 5476 B10R0.97 CC(=O)CCCOCC(C)Br 34a_100012180447_100000685027 [0,2,0,0,0,0|2,0,0]=4 5477 B10R0.97 CC(=O)CCCOCC(C)C 34a_100000210257_100000685027 [0,2,0,0,0,0|2,0,0]=4 5478 B10R0.97 CC(=O)CCCOCC(C)C 34a_100000759063_100000210624 [0,2,0,0,0,0|2,0,0]=4 5479 B10R0.97 CC(=O)CCCOCC(C)C 7a_100000759063_100000210760 [0,2,0,0,0,0|2,0,0]=4 5480 B10R0.97 CC(=O)CCCOCC(C)F 34a_100015925927_100000685027 [0,2,0,0,0,0|2,0,0]=4 5481 B10R0.97 CC(=O)CCCOCC(C)O 34a_100000759063_100011218427 [0,2,0,0,0,0|2,0,0]=4 5482 B10R0.97 CC(=O)CCCOCC(C)O 7a_100000759063_100011218427 [0,2,0,0,0,0|2,0,0]=4 5483 B10R0.97 CC(=O)CCCOC[C@@H](C)Cl 34a_100016084084_100000685027 [0,2,0,0,0,0|2,0,0]=4 5484 B10R0.97 CC(=O)CCCOC[C@@H](C)N 34a_100000737577_100000685027 [0,2,0,0,0,0|2,0,0]=4 5485 B10R0.97 CC(=O)CCCOC[C@@H](C)O 34a_100000759063_100009817552 [0,2,0,0,0,0|2,0,0]=4 5486 B10R0.97 CC(=O)CCCOC[C@@H](C)O 7a_100000759063_100009817552 [0,2,0,0,0,0|2,0,0]=4 5487 B10R0.97 CC(=O)CCCSCC(C)C 62a_100000210624_100011215641 [0,2,0,0,0,0|2,0,0]=4 5488 B10R0.97 CC(=O)CCCSCC(C)C 62a_100011215641_100000210760 [0,2,0,0,0,0|2,0,0]=4 5489 B10R0.97 CC(=O)CCCSCC(C)O 62a_100011215641_100011218427 [0,2,0,0,0,0|2,0,0]=4 5490 B10R0.97 CC(=O)CCCSCC(C)O 62a_100011218427_100011215641 [0,2,0,0,0,0|2,0,0]=4 5491 B10R0.97 CC(=O)CCCSC[C@@H](C)O 62a_100009817552_100011215641 [0,2,0,0,0,0|2,0,0]=4 5492 B10R0.97 CC(=O)CCCSC[C@@H](C)O 62a_100011215641_100009817552 [0,2,0,0,0,0|2,0,0]=4 5493 B10R0.97 CC(=O)CCOCCC(=O)C 7a_100000759926_100000053229 [0,2,0,0,0,0|2,0,0]=4 5494 B10R0.97 CC(=O)CCOCCC(C)C 34a_100000759926_100000210312 [0,2,0,0,0,0|2,0,0]=4 5495 B10R0.97 CC(=O)CCOCCC(C)C 7a_100000210254_100000053229 [0,2,0,0,0,0|2,0,0]=4 5496 B10R0.97 CC(=O)CCOCCC(C)C 7a_100000759926_100000210626 [0,2,0,0,0,0|2,0,0]=4 5497 B10R0.97 CC(=O)CCOCCC(C)O 34a_100000759926_100012276601 [0,2,0,0,0,0|2,0,0]=4 5498 B10R0.97 CC(=O)CCOCCC(C)O 7a_100000759926_100012276601 [0,2,0,0,0,0|2,0,0]=4 5499 B10R0.97 CC(=O)CCOCCN(C)C 7a_100000759926_100000755713 [0,2,0,0,0,0|2,0,0]=4 5500 B10R0.97 CC(=O)CCOCOC(=O)C 34a_100000759926_100009813279 [0,2,0,0,0,0|1,0,0]=3 5501 B10R0.97 CC(=O)CCSCCC(=O)C 62a_100000053229_100000053229 [0,2,0,0,0,0|2,0,0]=4 5502 B10R0.97 CC(=O)CCSCCC(C)C 62a_100000053229_100000210312 [0,2,0,0,0,0|2,0,0]=4 5503 B10R0.97 CC(=O)CCSCCC(C)C 62a_100000210312_100000053229 [0,2,0,0,0,0|2,0,0]=4 5504 B10R0.97 CC(=O)CCSCCC(C)O 62a_100000053229_100012276601 [0,2,0,0,0,0|2,0,0]=4 5505 B10R0.97 CC(=O)CCSCCC(C)O 62a_100012276601_100000053229 [0,2,0,0,0,0|2,0,0]=4 5506 B10R0.97 CC(=O)CCSCCN(C)C 62a_100000053229_100000755713 [0,2,0,0,0,0|2,0,0]=4 5507 B10R0.97 CC(=O)CCSCOC(=O)C 62a_100000053229_100000076356 [0,2,0,0,0,0|1,0,0]=3 5508 B10R0.97 CC(=O)CCSCOC(=O)C 62a_100000076356_100000053229 [0,2,0,0,0,0|1,0,0]=3 5509 B10R0.97 CC(=O)COCCC=C(C)C 34a_100000211253_100011217483 [0,2,0,0,0,0|1,0,1]=4 5510 B10R0.97 CC(=O)COCCCC(=O)N 34a_100000211253_100102525003 [0,2,0,0,0,0|2,0,0]=4 5511 B10R0.97 CC(=O)COCCCC(C)C 34a_100000211253_100011214892 [0,2,0,0,0,0|1,0,0]=3 5512 B10R0.97 CC(=O)COCCCC(C)O 34a_100000211253_200000718107 [0,2,0,0,0,0|1,0,0]=3 5513 B10R0.97 CC(=O)COCCOC(=O)C 34a_100000211253_100009814007 [0,2,0,0,0,0|1,0,0]=3 5514 B10R0.97 CC(=O)COCCOC(=O)N 34a_100000211253_200011214921 [0,2,0,0,0,0|2,0,0]=4 5515 B10R0.97 CC(=O)COCCOC(C)C 34a_100000211253_100000211751 [0,2,0,0,0,0|2,0,0]=4 5516 B10R0.97 CC(=O)COCCSC(C)C 34a_100000211253_100000730970 [0,2,0,0,0,0|2,0,0]=4 5517 B10R0.97 CC(=O)NCCCCN(C)C 240690a_100025707445_100015343762 [0,2,0,0,0,0|2,0,0]=4 5518 B10R0.97 CC(=O)NCCCNC(=O)C 11a_100000736810_100015343762 [0,2,0,0,0,0|2,0,0]=4 5519 B10R0.97 CC(=O)NCCCNC(=O)C 240690a_100000736810_100015343762 [0,2,0,0,0,0|2,0,0]=4 5520 B10R0.97 CC(=O)NCCCNC(=O)C 527a_100000736810_100103153847 [0,2,0,0,0,0|2,0,0]=4 5521 B10R0.97 CC(=O)NCCCNC(C)C 34a_100000736810_100000210206 [0,2,0,0,0,0|2,0,0]=4 5522 B10R0.97 CC(=O)NCCCOC(C)C 11a_100000737246_100015343762 [0,2,0,0,0,0|1,1,0]=4 5523 B10R0.97 CC(=O)NCCCOC(C)C 1626a_100000737246_100015343762 [0,2,0,0,0,0|1,1,0]=4 5524 B10R0.97 CC(=O)NCCCOC(C)C 240690a_100000737246_100015343762 [0,2,0,0,0,0|1,1,0]=4 5525 B10R0.97 CC(=O)NCCCOC(C)C 34a_100000752032_100000210206 [0,2,0,0,0,0|1,1,0]=4 5526 B10R0.97 CC(=O)NCCCOC(C)C 527a_100000737246_100103153847 [0,2,0,0,0,0|1,1,0]=4 5527 B10R0.97 CC(=O)NCCNCC(C)C 2230a_100000209853_100000210760 [0,2,0,0,0,0|2,0,0]=4 5528 B10R0.97 CC(=O)NCCNCC(C)C 2230a_100000210953_100000189650 [0,2,0,0,0,0|2,0,0]=4 5529 B10R0.97 CC(=O)NCCNCC(C)O 2230a_100000209853_100011218427 [0,2,0,0,0,0|2,0,0]=4 5530 B10R0.97 CC(=O)NCCNCC(C)O 2230a_100000210904_100000189650 [0,2,0,0,0,0|2,0,0]=4 5531 B10R0.97 CC(=O)NCCNC[C@@H](C)O 2230a_100000209853_100009817552 [0,2,0,0,0,0|2,0,0]=4 5532 B10R0.97 CC(=O)NCCOCC(C)C 34a_100000158858_100000210624 [0,2,0,0,0,0|2,0,0]=4 5533 B10R0.97 CC(=O)NCCOCC(C)O 34a_100000158858_100011218427 [0,2,0,0,0,0|2,0,0]=4 5534 B10R0.97 CC(=O)NCCOC[C@@H](C)O 34a_100000158858_100009817552 [0,2,0,0,0,0|2,0,0]=4 5535 B10R0.97 CC(=O)NCCSCC(C)C 62a_100000189650_100000210760 [0,2,0,0,0,0|2,0,0]=4 5536 B10R0.97 CC(=O)NCCSCC(C)C 62a_100000210624_100000189650 [0,2,0,0,0,0|2,0,0]=4 5537 B10R0.97 CC(=O)NCCSCC(C)O 62a_100000189650_100011218427 [0,2,0,0,0,0|2,0,0]=4 5538 B10R0.97 CC(=O)NCCSCC(C)O 62a_100011218427_100000189650 [0,2,0,0,0,0|2,0,0]=4 5539 B10R0.97 CC(=O)NCCSC[C@@H](C)O 62a_100000189650_100009817552 [0,2,0,0,0,0|2,0,0]=4 5540 B10R0.97 CC(=O)NCCSC[C@@H](C)O 62a_100009817552_100000189650 [0,2,0,0,0,0|2,0,0]=4 5541 B10R0.97 CC(=O)OCCCCN(C)C 269982a_100102631434_100000033659 [0,2,0,0,0,0|1,0,0]=3 5542 B10R0.97 CC(=O)OCCCNC(C)C 34a_100138425928_100000042594 [0,2,0,0,0,0|1,0,0]=3 5543 B10R0.97 CC(=O)OCCCOC(C)C 34a_100000212225_100000042594 [0,2,0,0,0,0|0,1,0]=3 5544 B10R0.97 CC(=O)OCCCSC(C)C 62a_100000042594_100000210206 [0,2,0,0,0,0|0,0,0]=2 5545 B10R0.97 CC(=O)OCCCSC(C)C 62a_100000210206_100000042594 [0,2,0,0,0,0|0,0,0]=2 5546 B10R0.97 CC(=O)OCCNCC(=O)O 269956a_100016091260_100009814007 [0,2,0,0,0,0|2,0,0]=4 5547 B10R0.97 CC(=O)OCCNCC(C)C 34a_100000210953_100009814007 [0,2,0,0,0,0|1,0,0]=3 5548 B10R0.97 CC(=O)OCCNCC(C)O 34a_100000210904_100009814007 [0,2,0,0,0,0|1,0,0]=3 5549 B10R0.97 CC(=O)OCCNCC(F)F 34a_100000765723_100009814007 [0,2,0,0,0,0|2,0,0]=4 5550 B10R0.97 CC(=O)OCCOCC(C)Br 34a_100012180447_100009814007 [0,2,0,0,0,0|1,0,0]=3 5551 B10R0.97 CC(=O)OCCOCC(C)C 34a_100000210257_100009814007 [0,2,0,0,0,0|1,0,0]=3 5552 B10R0.97 CC(=O)OCCOCC(C)F 34a_100015925927_100009814007 [0,2,0,0,0,0|1,0,0]=3 5553 B10R0.97 CC(=O)OCCOCC(F)F 34a_100000743014_100009814007 [0,2,0,0,0,0|2,0,0]=4 5554 B10R0.97 CC(=O)OCCOCN(C)C 269982a_100102631434_100000076355 [0,2,0,0,0,0|1,0,0]=3 5555 B10R0.97 CC(=O)OCCOC[C@@H](C)Cl 34a_100016084084_100009814007 [0,2,0,0,0,0|1,0,0]=3 5556 B10R0.97 CC(=O)OCCOC[C@@H](C)N 34a_100000737577_100009814007 [0,2,0,0,0,0|1,0,0]=3 5557 B10R0.97 CC(=O)OCCSCC(=O)N 62a_100000747473_100009814007 [0,2,0,0,0,0|2,0,0]=4 5558 B10R0.97 CC(=O)OCCSCC(=O)N 62a_100009814007_100000747473 [0,2,0,0,0,0|2,0,0]=4 5559 B10R0.97 CC(=O)OCCSCC(=O)[O-] 62a_100009814007_100020667443 [0,2,0,0,0,0|2,0,0]=4 5560 B10R0.97 CC(=O)OCCSCC(=O)[O-] 62a_100020667443_100009814007 [0,2,0,0,0,0|2,0,0]=4 5561 B10R0.97 CC(=O)OCCSCC(C)C 62a_100000210624_100009814007 [0,2,0,0,0,0|1,0,0]=3 5562 B10R0.97 CC(=O)OCCSCC(C)C 62a_100009814007_100000210760 [0,2,0,0,0,0|1,0,0]=3 5563 B10R0.97 CC(=O)OCCSCC(C)O 62a_100009814007_100011218427 [0,2,0,0,0,0|1,0,0]=3 5564 B10R0.97 CC(=O)OCCSCC(C)O 62a_100011218427_100009814007 [0,2,0,0,0,0|1,0,0]=3 5565 B10R0.97 CC(=O)OCCSCC(F)F 62a_100009814007_100011934356 [0,2,0,0,0,0|2,0,0]=4 5566 B10R0.97 CC(=O)OCCSCC(F)F 62a_100011934356_100009814007 [0,2,0,0,0,0|2,0,0]=4 5567 B10R0.97 CC(=O)OCCSC[C@@H](C)O 62a_100009814007_100009817552 [0,2,0,0,0,0|1,0,0]=3 5568 B10R0.97 CC(=O)OCCSC[C@@H](C)O 62a_100009817552_100009814007 [0,2,0,0,0,0|1,0,0]=3 5569 B10R0.97 CC(=O)OCCSC[N+](=O)[O-] 62a_100009814007_100000761209 [0,2,0,0,0,0|2,0,0]=4 5570 B10R0.97 CC(=O)OCNCC=C(C)C 34a_100000718196_100009813279 [0,2,0,0,0,0|1,0,1]=4 5571 B10R0.97 CC(=O)OCOCC=C(C)C 34a_100000753907_100009813279 [0,2,0,0,0,0|1,0,1]=4 5572 B10R0.97 CC(=O)OCOCCC(=O)N 34a_100000757172_100009813279 [0,2,0,0,0,0|2,0,0]=4 5573 B10R0.97 CC(=O)OCOCCC(C)Br 34a_100009893172_100009813279 [0,2,0,0,0,0|1,0,0]=3 5574 B10R0.97 CC(=O)OCOCCC(C)C 34a_100000210254_100009813279 [0,2,0,0,0,0|1,0,0]=3 5575 B10R0.97 CC(=O)OCOCCC(F)F 34a_100103093639_100009813279 [0,2,0,0,0,0|2,0,0]=4 5576 B10R0.97 CC(=O)OCOCC[C@@H](C)N 34a_100000706166_100009813279 [0,2,0,0,0,0|1,0,0]=3 5577 B10R0.97 CC(=O)OCSCC=C(C)C 62a_100000076356_100000761012 [0,2,0,0,0,0|1,0,1]=4 5578 B10R0.97 CC(=O)OCSCC=C(C)C 62a_100000761012_100000076356 [0,2,0,0,0,0|1,0,1]=4 5579 B10R0.97 CC(=O)OCSCCC(=O)N 62a_100000076356_100000744528 [0,2,0,0,0,0|2,0,0]=4 5580 B10R0.97 CC(=O)OCSCCC(=O)N 62a_100000744528_100000076356 [0,2,0,0,0,0|2,0,0]=4 5581 B10R0.97 CC(=O)OCSCCC(C)C 62a_100000076356_100000210312 [0,2,0,0,0,0|1,0,0]=3 5582 B10R0.97 CC(=O)OCSCCC(C)C 62a_100000210312_100000076356 [0,2,0,0,0,0|1,0,0]=3 5583 B10R0.97 CC(=O)OCSCCC(C)O 62a_100000076356_100012276601 [0,2,0,0,0,0|1,0,0]=3 5584 B10R0.97 CC(=O)OCSCCC(C)O 62a_100012276601_100000076356 [0,2,0,0,0,0|1,0,0]=3 5585 B10R0.97 CC(=O)OCSCCN(C)C 62a_100000076356_100000755713 [0,2,0,0,0,0|1,0,0]=3 5586 B10R0.97 CC(=O)OCSCOC(=O)C 62a_100000076356_100000076356 [0,2,0,0,0,0|1,1,0]=4 5587 B10R0.97 CC(=O)OCSCOC(C)C 62a_100000076356_100000709892 [0,2,0,0,0,0|1,1,0]=4 5588 B10R0.97 CC(=O)OCSCOC(C)C 62a_100000709892_100000076356 [0,2,0,0,0,0|1,1,0]=4 5589 B10R0.97 CC(=O)SCCCCN(C)C 2230a_100102631434_200010402107 [0,2,0,0,0,0|1,1,0]=4 5590 B10R0.97 CC(=O)SCCCCN(C)C 269982a_100102631434_200010402107 [0,2,0,0,0,0|1,1,0]=4 5591 B10R0.97 CC(=O)SCCCNC(C)C 2230a_100138425928_100000038929 [0,2,0,0,0,0|1,1,0]=4 5592 B10R0.97 CC(=O)SCCCNC(C)C 34a_100138425928_100000038929 [0,2,0,0,0,0|1,1,0]=4 5593 B10R0.97 CC(=O)SCCCOC(C)C 34a_100000212225_100000038929 [0,2,0,0,0,0|0,2,0]=4 5594 B10R0.97 CC(=O)SCCCSC(C)C 62a_100000038929_100000210206 [0,2,0,0,0,0|0,1,0]=3 5595 B10R0.97 CC(=O)SCCCSC(C)C 62a_100000210206_100000038929 [0,2,0,0,0,0|0,1,0]=3 5596 B10R0.97 CC(=S)OCCCNC(C)C 2230a_100138425928_200135323944 [0,2,0,0,0,0|1,1,0]=4 5597 B10R0.97 CC(=S)OCCCNC(C)C 34a_100138425928_200135323944 [0,2,0,0,0,0|1,1,0]=4 5598 B10R0.97 CC(=S)OCCCOC(C)C 34a_100000212225_200135323944 [0,2,0,0,0,0|0,2,0]=4 5599 B10R0.97 CC(=S)OCCCSC(C)C 62a_100000210206_200135323944 [0,2,0,0,0,0|0,1,0]=3 5600 B10R0.97 CC(=S)OCCCSC(C)C 62a_200135323944_100000210206 [0,2,0,0,0,0|0,1,0]=3 5601 B10R0.97 CC(Br)COCCOC(=O)N 34a_100012180447_200011214921 [0,2,0,0,0,0|2,0,0]=4 5602 B10R0.97 CC(C)CCCCCC(=O)[13CH3] 1458a_100000766313_200025704644 [0,2,0,0,0,0|2,0,0]=4 5603 B10R0.97 CC(C)CCCOCC(=O)N 34a_100000210774_100000187820 [0,2,0,0,0,0|2,0,0]=4 5604 B10R0.97 CC(C)CCCOCC(=O)N 7a_100000210774_100000187820 [0,2,0,0,0,0|2,0,0]=4 5605 B10R0.97 CC(C)CCCOCC(=O)[O-] 34a_100000210774_100020667443 [0,2,0,0,0,0|2,0,0]=4 5606 B10R0.97 CC(C)CNCCOC(=O)N 34a_100000210953_200011214921 [0,2,0,0,0,0|2,0,0]=4 5607 B10R0.97 CC(C)COCCOC(=O)N 34a_100000210257_200011214921 [0,2,0,0,0,0|2,0,0]=4 5608 B10R0.97 CC(C)COCCOC(=O)N 7a_100000766696_100000210760 [0,2,0,0,0,0|2,0,0]=4 5609 B10R0.97 CC(C)CSCCOC(=O)N 62a_100000210624_200011214921 [0,2,0,0,0,0|2,0,0]=4 5610 B10R0.97 CC(C)CSCCOC(=O)N 62a_200011214921_100000210760 [0,2,0,0,0,0|2,0,0]=4 5611 B10R0.97 CC(F)COCCOC(=O)N 34a_100015925927_200011214921 [0,2,0,0,0,0|2,0,0]=4 5612 B10R0.97 CC(O)CNCCOC(=O)N 34a_100000210904_200011214921 [0,2,0,0,0,0|2,0,0]=4 5613 B10R0.97 CC(O)COCCOC(=O)N 7a_100000766696_100011218427 [0,2,0,0,0,0|2,0,0]=4 5614 B10R0.97 CC(O)CSCCOC(=O)N 62a_100011218427_200011214921 [0,2,0,0,0,0|2,0,0]=4 5615 B10R0.97 CC(O)CSCCOC(=O)N 62a_200011214921_100011218427 [0,2,0,0,0,0|2,0,0]=4 5616 B10R0.97 C[C@@H](Cl)COCCOC(=O)N 34a_100016084084_200011214921 [0,2,0,0,0,0|2,0,0]=4 5617 B10R0.97 C[C@@H](N)COCCOC(=O)N 34a_100000737577_200011214921 [0,2,0,0,0,0|2,0,0]=4 5618 B10R0.97 C[C@@H](O)COCCOC(=O)N 7a_100000766696_100009817552 [0,2,0,0,0,0|2,0,0]=4 5619 B10R0.97 C[C@@H](O)CSCCOC(=O)N 62a_100009817552_200011214921 [0,2,0,0,0,0|2,0,0]=4 5620 B10R0.97 C[C@@H](O)CSCCOC(=O)N 62a_200011214921_100009817552 [0,2,0,0,0,0|2,0,0]=4 5621 B10R0.18 CCC(=O)CC(=O)CCSC 1458a_100000174002_100000747405 [0,2,0,0,0,0|1,0,1]=4 5622 B10R0.18 CCC(=O)CN(C)CCSC 269982a_100000686725_100000747405 [0,2,0,0,0,0|2,0,0]=4 5623 B10R0.18 CCCCC(C)NC(=O)CC 11a_100000126638_100000210414 [0,2,0,0,0,0|2,0,0]=4 5624 B10R0.18 CCCCC(C)NC(=O)CC 1626a_100000126638_100000210414 [0,2,0,0,0,0|2,0,0]=4 5625 B10R0.18 CCCCC(C)NC(=O)CC 240690a_100000126638_100000210414 [0,2,0,0,0,0|2,0,0]=4 5626 B10R0.18 CCCCC(C)NC(=O)CC 527a_100000126638_100000210414 [0,2,0,0,0,0|2,0,0]=4 5627 B10R0.18 CCCCC(C)NC(=O)CO 240690a_100000126638_100000210174 [0,2,0,0,0,0|2,0,0]=4 5628 B10R0.18 CCCCC(C)NC(=O)CO 527a_100000126638_100000210174 [0,2,0,0,0,0|2,0,0]=4 5629 B10R0.18 CCCCC(C)NC(=O)NC 2708a_100000126638_106832991635 [0,2,0,0,0,0|2,0,0]=4 5630 B10R0.18 CCCCC(C)NC(=O)NC 2708a_100102657272_100000126638 [0,2,0,0,0,0|2,0,0]=4 5631 B10R0.18 CCCCC(C)NC(=O)NC 273464a_100000126638_100102657272 [0,2,0,0,0,0|2,0,0]=4 5632 B10R0.18 CCCCC(C)NC(=O)NC 273464a_100102657272_100000126638 [0,2,0,0,0,0|2,0,0]=4 5633 B10R0.18 CCCCC(C)NC(=O)NC 512a_100000126638_100102657272 [0,2,0,0,0,0|2,0,0]=4 5634 B10R0.18 CCCCC(C)NC(=O)NC 512a_106832991638_100000126638 [0,2,0,0,0,0|2,0,0]=4 5635 B10R0.18 CNC(=O)CC(=O)CCSC 1458a_100000174002_100000183359 [0,2,0,0,0,0|1,0,1]=4 5636 B10R0.18 CNC(=O)CN(C)CCSC 2230a_100000189611_100000751147 [0,2,0,0,0,0|2,0,0]=4 5637 B10R0.18 CNC(=O)CN(C)CCSC 2230a_100000686725_100000183359 [0,2,0,0,0,0|2,0,0]=4 5638 B10R0.18 CNC(=O)CN(C)CCSC 269982a_100000686725_100000183359 [0,2,0,0,0,0|2,0,0]=4 5639 B10R0.18 COC(=O)CC(=O)CCSC 1458a_100000174002_100000747449 [0,2,0,0,0,0|1,0,1]=4 5640 B10R0.18 COC(=O)CC(=O)CCSC 1458a_100000211351_100000751147 [0,2,0,0,0,0|1,0,1]=4 5641 B10R0.18 COC(=O)CC(C)SCSC 62a_100009817358_100011218213 [0,2,0,0,0,0|2,0,0]=4 5642 B10R0.18 COC(=O)CC(C)SCSC 62a_100011218213_100009817358 [0,2,0,0,0,0|2,0,0]=4 5643 B10R0.18 COC(=O)CN(C)CCSC 2230a_100000198492_100000751147 [0,2,0,0,0,0|2,0,0]=4 5644 B10R0.18 COC(=O)CN(C)CCSC 2230a_100000686725_100000747449 [0,2,0,0,0,0|2,0,0]=4 5645 B10R0.18 COC(=O)CN(C)CCSC 269982a_100000686725_100000747449 [0,2,0,0,0,0|2,0,0]=4 5646 B10R0.32 CCCC(=O)C(C)OC(=O)C 1458a_100000211992_100009818208 [0,2,0,0,0,0|1,0,1]=4 5647 B10R0.32 CCCC(=O)[C@H](C)OC(=O)C 1458a_100009816467_100000210303 [0,2,0,0,0,0|1,0,1]=4 5648 B10R0.32 CCCN(C)C(C)OC(=O)C 269982a_100000747261_100009818208 [0,2,0,0,0,0|2,0,0]=4 5649 B10R0.32 COCC(=O)C(C)OC(=O)C 1458a_100000210968_100009818208 [0,2,0,0,0,0|0,1,1]=4 5650 B10R0.32 CSCC(=O)C(C)OC(=O)C 1458a_100000184570_100009818208 [0,2,0,0,0,0|0,0,1]=3 5651 B10R0.81 CSCCC(=O)C(C)C(=O)C 1458a_100000174002_100000179758 [0,2,0,0,0,0|1,0,1]=4 5652 B10R0.81 CSCCN(C)C(C)C(=O)C 2230a_100000686725_100009814033 [0,2,0,0,0,0|2,0,0]=4 5653 B10R0.81 CSCCN(C)C(C)C(=O)C 269982a_100000686725_100009814033 [0,2,0,0,0,0|2,0,0]=4 5654 B10R0.87 CCCCC(CC)CC(=O)C 1458a_100000070787_100000211942 [0,2,0,0,0,0|2,0,0]=4 5655 B10R0.87 CCCC[C@@H](CO)NC(=O)C 240690a_100011934283_100015343762 [0,2,0,0,0,0|2,0,0]=4 5656 B10R0.87 CCCC[C@@H](CO)NC(=O)C 527a_100011934283_100103153847 [0,2,0,0,0,0|2,0,0]=4 5657 B10R0.87 CSCC[C@@H](CO)NC(=O)C 240690a_100011827619_100015343762 [0,2,0,0,0,0|1,0,0]=3 5658 B10R0.87 CSCC[C@@H](CO)NC(=O)C 527a_100011827619_100103153847 [0,2,0,0,0,0|1,0,0]=3 5659 B10R0.96 C=C(C)CC(=O)COC(=O)C 1458a_100000183556_100000748629 [0,2,0,0,0,0|1,0,1]=4 5660 B10R0.96 C=C(C)CN(C)COC(=O)C 269982a_100000225649_100000076356 [0,2,0,0,0,0|2,0,0]=4 5661 B10R0.96 C=C(C)CSC(C)OC(=O)C 62a_100000748629_100009818208 [0,2,0,0,0,0|2,0,0]=4 5662 B10R0.96 C=C(C)CSC(C)OC(=O)C 62a_100009818208_100000211660 [0,2,0,0,0,0|2,0,0]=4 5663 B10R0.96 CC(=O)CC(C)CSC(=O)C 1458a_100000070787_200000116872 [0,2,0,0,0,0|1,1,0]=4 5664 B10R0.96 CC(=O)NC(C)CCC(C)C 11a_100138410893_100015343762 [0,2,0,0,0,0|2,0,0]=4 5665 B10R0.96 CC(=O)NC(C)CCC(C)C 1626a_100138410893_100015343762 [0,2,0,0,0,0|2,0,0]=4 5666 B10R0.96 CC(=O)NC(C)CCC(C)C 240690a_100138410893_100015343762 [0,2,0,0,0,0|2,0,0]=4 5667 B10R0.96 CC(=O)NC(C)CCC(C)C 527a_100138410893_100103153847 [0,2,0,0,0,0|2,0,0]=4 5668 B10R0.96 CC(=O)NCC(O)CN(C)C 240690a_100000737402_100015343762 [0,2,0,0,0,0|2,0,0]=4 5669 B10R0.96 CC(=O)NCC(O)CN(C)C 527a_100000737402_100103153847 [0,2,0,0,0,0|2,0,0]=4 5670 B10R0.96 CC(=O)OC(C)SCC(C)C 62a_100000210624_100009818208 [0,2,0,0,0,0|2,0,0]=4 5671 B10R0.96 CC(=O)OC(C)SCC(C)C 62a_100009818208_100000210760 [0,2,0,0,0,0|2,0,0]=4 5672 B10R0.96 CC(=O)OC(C)SCC(C)O 62a_100009818208_100011218427 [0,2,0,0,0,0|2,0,0]=4 5673 B10R0.96 CC(=O)OC(C)SCC(C)O 62a_100011218427_100009818208 [0,2,0,0,0,0|2,0,0]=4 5674 B10R0.96 CC(=O)OC(C)SC[C@@H](C)O 62a_100009817552_100009818208 [0,2,0,0,0,0|2,0,0]=4 5675 B10R0.96 CC(=O)OC(C)SC[C@@H](C)O 62a_100009818208_100009817552 [0,2,0,0,0,0|2,0,0]=4 5676 B10R0.96 CC(=O)OCC(=O)CC(C)C 1458a_100000183556_100000210624 [0,2,0,0,0,0|1,0,1]=4 5677 B10R0.96 CC(=O)OCC(=O)CC(C)O 1458a_100000183556_100011218427 [0,2,0,0,0,0|1,0,1]=4 5678 B10R0.96 CC(=O)OCC(=O)CN(C)C 269982a_100102631434_100000036994 [0,2,0,0,0,0|1,0,1]=4 5679 B10R0.96 CC(=O)OCC(O)CN(C)C 269982a_100102631434_200000139349 [0,2,0,0,0,0|1,0,0]=3 5680 B10R0.96 CC(=O)OCN(C)CC(C)C 269982a_100000747067_100000076356 [0,2,0,0,0,0|2,0,0]=4 5681 B10R0.96 CC(=O)OCN(C)CC(C)O 269982a_100000227577_100000076356 [0,2,0,0,0,0|2,0,0]=4 5682 B10R0.96 CC(=O)SCC(C)CN(C)C 2230a_100102631434_200000116872 [0,2,0,0,0,0|1,1,0]=4 5683 B10R0.96 CC(=O)SCC(C)CN(C)C 269982a_100102631434_200000116872 [0,2,0,0,0,0|1,1,0]=4 5684 B10R0.15 CC(=O)NCCCS(=O)(=O)C 11a_100000742409_100015343762 [0,2,0,0,0,0|1,0,1]=4 5685 B10R0.15 CC(=O)NCCCS(=O)(=O)C 1626a_100000742409_100015343762 [0,2,0,0,0,0|1,0,1]=4 5686 B10R0.15 CC(=O)NCCCS(=O)(=O)C 240690a_100000742409_100015343762 [0,2,0,0,0,0|1,0,1]=4 5687 B10R0.15 CC(=O)NCCCS(=O)(=O)C 527a_100000742409_100103153847 [0,2,0,0,0,0|1,0,1]=4 5688 B10R0.15 CC(=O)NCCC[Si](C)(C)C 1626a_100000725946_100015343762 [0,2,0,0,0,0|2,0,0]=4 5689 B10R0.15 CC(=O)NCCC[Si](C)(C)C 240690a_100000725946_100015343762 [0,2,0,0,0,0|2,0,0]=4 5690 B10R0.15 CC(=O)NCCC[Si](C)(C)C 527a_100000725946_100103153847 [0,2,0,0,0,0|2,0,0]=4 5691 B10R0.15 CC(=O)OCCNS(=O)(=O)C 40a_100000724843_100000738038 [0,2,0,0,0,0|1,0,1]=4 5692 B10R0.15 CC(=O)OCCOC(C)(C)C 34a_100015890283_100009814007 [0,2,0,0,0,0|2,0,0]=4 5693 B10R0.15 CC(=O)OCCOC(C)(C)C 7a_100015890283_100009814007 [0,2,0,0,0,0|2,0,0]=4 5694 B10R0.15 CC(=O)OCCSC(C)(C)C 62a_100000211941_100009814007 [0,2,0,0,0,0|2,0,0]=4 5695 B10R0.15 CC(=O)OCCSC(C)(C)C 62a_100009814007_100000211941 [0,2,0,0,0,0|2,0,0]=4 5696 B10R0.15 CC(=O)OCOCC(C)(C)F 34a_100000716592_100009813279 [0,2,0,0,0,0|2,0,0]=4 5697 B10R0.15 CC(=O)OCOCC(C)(F)F 34a_100000068830_100009813279 [0,2,0,0,0,0|2,0,0]=4 5698 B10R0.15 CC(=O)OCSCC(C)(C)C 62a_100000076356_100011219605 [0,2,0,0,0,0|2,0,0]=4 5699 B10R0.15 CC(=O)OCSCC(C)(C)C 62a_100011219605_100000076356 [0,2,0,0,0,0|2,0,0]=4 5700 B10R0.15 CC(=O)OCSCC(C)(C)F 62a_100000076356_100011997219 [0,2,0,0,0,0|2,0,0]=4 5701 B10R0.15 CC(=O)OCSCC(C)(C)F 62a_100011997219_100000076356 [0,2,0,0,0,0|2,0,0]=4 5702 B10R0.15 CC(=O)OCSCC(C)(C)O 62a_100000076356_100000764493 [0,2,0,0,0,0|2,0,0]=4 5703 B10R0.15 CC(=O)OCSCC(C)(C)O 62a_100000764493_100000076356 [0,2,0,0,0,0|2,0,0]=4 5704 B10R0.15 CC(=O)OCSC[N+](C)(C)C 62a_100000076356_200000036245 [0,2,0,0,0,0|2,0,0]=4 5705 B10R0.15 CC(=O)OCSC[N+](C)(C)C 62a_200000036245_100000076356 [0,2,0,0,0,0|2,0,0]=4 5706 B10R0.15 CC(=O)OCSC[Si](C)(C)C 62a_100000037933_100000076356 [0,2,0,0,0,0|2,0,0]=4 5707 B10R0.15 CC(=O)OCSC[Si](C)(C)C 62a_100000076356_100000037933 [0,2,0,0,0,0|2,0,0]=4 5708 B10R0.62 C#CC(C)(C)OCCCSC 34a_100000690336_100000038118 [0,2,0,0,0,0|1,0,1]=4 5709 B10R0.62 CCC(C)(C)OCCCSC 7a_100000690336_100000210677 [0,2,0,0,0,0|1,0,1]=4 5710 B10R0.62 CCS(=O)(=O)NCCCSC 270084a_100000749238_100000211323 [0,2,0,0,0,0|2,0,0]=4 5711 B10R0.62 CCS(=O)(=O)NCCCSC 274078a_100000749238_100000211323 [0,2,0,0,0,0|2,0,0]=4 5712 B10R0.62 CCS(=O)(=O)NCCCSC 40a_100000749238_100000053943 [0,2,0,0,0,0|2,0,0]=4 5713 B10R0.62 CSCCCNS(=O)(=O)CCl 270084a_100000749238_100000031410 [0,2,0,0,0,0|2,0,0]=4 5714 B10R0.62 CSCCCNS(=O)(=O)CCl 274078a_100000749238_100000031410 [0,2,0,0,0,0|2,0,0]=4 5715 B10R0.62 CSCCCOC(C)(C)C#N 34a_100000690336_100011162410 [0,2,0,0,0,0|1,0,1]=4 5716 B10R0.62 CSCCCOC(C)(C)C#N 7a_100000690336_100011162410 [0,2,0,0,0,0|1,0,1]=4 5717 B10R0.1 C#CCC(=O)CCCCCC 1458a_100011220946_100000210757 [0,2,0,0,0,0|2,0,0]=4 5718 B10R0.1 C#CCC(=O)CCCCCC 1458a_100102632555_100000184674 [0,2,0,0,0,0|2,0,0]=4 5719 B10R0.1 C#CCC(=O)CCCCOC 1458a_100011220946_100000755781 [0,2,0,0,0,0|1,1,0]=4 5720 B10R0.1 C#CCC(=O)NCCCCC 1626a_100000209983_100011220946 [0,2,0,0,0,0|2,0,0]=4 5721 B10R0.1 C#CCC(=O)NCCCCC 527a_100000209983_100011220946 [0,2,0,0,0,0|2,0,0]=4 5722 B10R0.1 C#CCC(=O)NCCCOC 1626a_100150723488_100011220946 [0,2,0,0,0,0|1,1,0]=4 5723 B10R0.1 C#CCC(=O)NCCCOC 527a_100150723488_100011220946 [0,2,0,0,0,0|1,1,0]=4 5724 B10R0.1 C#CCC(=O)NCCCSC 1626a_100000749238_100011220946 [0,2,0,0,0,0|1,0,0]=3 5725 B10R0.1 C#CCC(=O)NCCCSC 527a_100000749238_100011220946 [0,2,0,0,0,0|1,0,0]=3 5726 B10R0.1 C=CCC(=O)CCCCCC 1458a_100000210193_100000210757 [0,2,0,0,0,0|2,0,0]=4 5727 B10R0.1 C=CCC(=O)CCCCCC 1458a_100102632555_100000210623 [0,2,0,0,0,0|2,0,0]=4 5728 B10R0.1 C=CCC(=O)CCCCOC 1458a_100000210193_100000755781 [0,2,0,0,0,0|1,1,0]=4 5729 B10R0.1 C=CCC(=O)NCCCCC 11a_100000209983_100000210193 [0,2,0,0,0,0|2,0,0]=4 5730 B10R0.1 C=CCC(=O)NCCCCC 1626a_100000209983_100000210193 [0,2,0,0,0,0|2,0,0]=4 5731 B10R0.1 C=CCC(=O)NCCCCC 240690a_100000209983_100000210193 [0,2,0,0,0,0|2,0,0]=4 5732 B10R0.1 C=CCC(=O)NCCCCC 527a_100000209983_100000210193 [0,2,0,0,0,0|2,0,0]=4 5733 B10R0.1 C=CCC(=O)NCCCOC 1626a_100150723488_100000210193 [0,2,0,0,0,0|1,1,0]=4 5734 B10R0.1 C=CCC(=O)NCCCOC 240690a_100150723488_100000210193 [0,2,0,0,0,0|1,1,0]=4 5735 B10R0.1 C=CCC(=O)NCCCOC 527a_100150723488_100000210193 [0,2,0,0,0,0|1,1,0]=4 5736 B10R0.1 C=CCC(=O)NCCCSC 11a_100000749238_100000210193 [0,2,0,0,0,0|1,0,0]=3 5737 B10R0.1 C=CCC(=O)NCCCSC 1626a_100000749238_100000210193 [0,2,0,0,0,0|1,0,0]=3 5738 B10R0.1 C=CCC(=O)NCCCSC 240690a_100000749238_100000210193 [0,2,0,0,0,0|1,0,0]=3 5739 B10R0.1 C=CCC(=O)NCCCSC 527a_100000749238_100000210193 [0,2,0,0,0,0|1,0,0]=3 5740 B10R0.1 CC#CC(=O)CCCCCC 1458a_100000763181_100000210757 [0,2,0,0,0,0|2,0,0]=4 5741 B10R0.1 CC#CC(=O)CCCCOC 1458a_100000763181_100000755781 [0,2,0,0,0,0|1,1,0]=4 5742 B10R0.1 CC=CC(=O)CCCCCC 1458a_100000210699_100000210757 [0,2,0,0,0,0|2,0,0]=4 5743 B10R0.1 CC=CC(=O)CCCCOC 1458a_100000210699_100000755781 [0,2,0,0,0,0|1,1,0]=4 5744 B10R0.1 CC=CC(=O)NCCCCC 11a_100000209983_100000210699 [0,2,0,0,0,0|2,0,0]=4 5745 B10R0.1 CC=CC(=O)NCCCCC 1626a_100000209983_100000210699 [0,2,0,0,0,0|2,0,0]=4 5746 B10R0.1 CC=CC(=O)NCCCCC 240690a_100000209983_100000210699 [0,2,0,0,0,0|2,0,0]=4 5747 B10R0.1 CC=CC(=O)NCCCOC 1626a_100150723488_100000210699 [0,2,0,0,0,0|1,1,0]=4 5748 B10R0.1 CC=CC(=O)NCCCOC 240690a_100150723488_100000210699 [0,2,0,0,0,0|1,1,0]=4 5749 B10R0.1 CC=CC(=O)NCCCSC 11a_100000749238_100000210699 [0,2,0,0,0,0|1,0,0]=3 5750 B10R0.1 CC=CC(=O)NCCCSC 1626a_100000749238_100000210699 [0,2,0,0,0,0|1,0,0]=3 5751 B10R0.1 CC=CC(=O)NCCCSC 240690a_100000749238_100000210699 [0,2,0,0,0,0|1,0,0]=3 5752 B10R0.1 CCCC(=O)CCCCOC 1458a_100000211992_100000755781 [0,2,0,0,0,0|1,1,0]=4 5753 B10R0.1 CCCC(=O)CNCCSC 2230a_100020590264_100000747444 [0,2,0,0,0,0|2,0,0]=4 5754 B10R0.1 CCCC(=O)COCCSC 7a_100000230434_100000747444 [0,2,0,0,0,0|2,0,0]=4 5755 B10R0.1 CCCC(=O)CSCCSC 62a_100000212216_100000747444 [0,2,0,0,0,0|2,0,0]=4 5756 B10R0.1 CCCC(=O)CSCCSC 62a_100000747444_100000751147 [0,2,0,0,0,0|2,0,0]=4 5757 B10R0.1 CCCC(=O)NCCCOC 1626a_100150723488_100000211992 [0,2,0,0,0,0|1,1,0]=4 5758 B10R0.1 CCCC(=O)NCCCOC 240690a_100150723488_100000211992 [0,2,0,0,0,0|1,1,0]=4 5759 B10R0.1 CCCC(=O)NCCCOC 527a_100150723488_100000211992 [0,2,0,0,0,0|1,1,0]=4 5760 B10R0.1 CCCC(=O)NCCCSC 11a_100000749238_100000211992 [0,2,0,0,0,0|1,0,0]=3 5761 B10R0.1 CCCC(=O)NCCCSC 1626a_100000749238_100000211992 [0,2,0,0,0,0|1,0,0]=3 5762 B10R0.1 CCCC(=O)NCCCSC 240690a_100000749238_100000211992 [0,2,0,0,0,0|1,0,0]=3 5763 B10R0.1 CCCC(=O)NCCCSC 527a_100000749238_100000211992 [0,2,0,0,0,0|1,0,0]=3 5764 B10R0.1 CCCC(=O)OCSCOC 62a_100000766300_100000034017 [0,2,0,0,0,0|1,1,0]=4 5765 B10R0.1 CCCC(=O)OCSCSC 62a_100011218213_100000034017 [0,2,0,0,0,0|1,0,0]=3 5766 B10R0.1 CCCC(C)OCCCSC 34a_100000690336_100000766640 [0,2,0,0,0,0|1,0,1]=4 5767 B10R0.1 CCCC(C)OCCCSC 7a_100000690336_100000766640 [0,2,0,0,0,0|1,0,1]=4 5768 B10R0.1 CCCCCCC(=O)CC#N 1458a_100051588842_100000210757 [0,2,0,0,0,0|2,0,0]=4 5769 B10R0.1 CCCCCCC(=O)CC#N 1458a_100102632555_100011214920 [0,2,0,0,0,0|2,0,0]=4 5770 B10R0.1 CCCCCCC(=O)CCC 1458a_100000211992_100000210757 [0,2,0,0,0,0|2,0,0]=4 5771 B10R0.1 CCCCCCC(=O)CCC 1458a_100102632555_100000210303 [0,2,0,0,0,0|2,0,0]=4 5772 B10R0.1 CCCCCCC(=O)CCF 1458a_100102632555_100011217306 [0,2,0,0,0,0|2,0,0]=4 5773 B10R0.1 CCCCCCC(=O)CCO 1458a_100011216618_100000210757 [0,2,0,0,0,0|2,0,0]=4 5774 B10R0.1 CCCCCCC(=O)CCO 1458a_100102632555_100000211926 [0,2,0,0,0,0|2,0,0]=4 5775 B10R0.1 CCCCCCC(=O)COC 1458a_100000210968_100000210757 [0,2,0,0,0,0|2,0,0]=4 5776 B10R0.1 CCCCCCC(=O)CSC 1458a_100000184570_100000210757 [0,2,0,0,0,0|2,0,0]=4 5777 B10R0.1 CCCCCCC(=O)NCC 11a_100015525214_100102632555 [0,2,0,0,0,0|2,0,0]=4 5778 B10R0.1 CCCCCCC(=O)NCC 240690a_100015525214_100102632555 [0,2,0,0,0,0|2,0,0]=4 5779 B10R0.1 CCCCCCC(=O)NCC 527a_100015525214_100102632555 [0,2,0,0,0,0|2,0,0]=4 5780 B10R0.1 CCCCCCC(=O)NNC 22a_100016993582_100102632555 [0,2,0,0,0,0|2,0,0]=4 5781 B10R0.1 CCCCCNC(=O)CC#N 1626a_100000209983_100051588842 [0,2,0,0,0,0|2,0,0]=4 5782 B10R0.1 CCCCCNC(=O)CC#N 240690a_100000209983_100051588842 [0,2,0,0,0,0|2,0,0]=4 5783 B10R0.1 CCCCCNC(=O)CCC 11a_100000209983_100000211992 [0,2,0,0,0,0|2,0,0]=4 5784 B10R0.1 CCCCCNC(=O)CCC 1626a_100000209983_100000211992 [0,2,0,0,0,0|2,0,0]=4 5785 B10R0.1 CCCCCNC(=O)CCC 240690a_100000209983_100000211992 [0,2,0,0,0,0|2,0,0]=4 5786 B10R0.1 CCCCCNC(=O)CCC 527a_100000209983_100000211992 [0,2,0,0,0,0|2,0,0]=4 5787 B10R0.1 CCCCCNC(=O)CCO 240690a_100000209983_100011216618 [0,2,0,0,0,0|2,0,0]=4 5788 B10R0.1 CCCCCNC(=O)CNC 2230a_106832991635_100000230301 [0,2,0,0,0,0|2,0,0]=4 5789 B10R0.1 CCCCCNC(=O)CNC 34a_100102657272_100000230301 [0,2,0,0,0,0|2,0,0]=4 5790 B10R0.1 CCCCCNC(=O)CNC 7a_106832991635_100000230301 [0,2,0,0,0,0|2,0,0]=4 5791 B10R0.1 CCCCCNC(=O)COC 11a_100000209983_100000210968 [0,2,0,0,0,0|2,0,0]=4 5792 B10R0.1 CCCCCNC(=O)COC 1626a_100000209983_100000210968 [0,2,0,0,0,0|2,0,0]=4 5793 B10R0.1 CCCCCNC(=O)COC 240690a_100000209983_100000210968 [0,2,0,0,0,0|2,0,0]=4 5794 B10R0.1 CCCCCNC(=O)COC 34a_100138415774_100000230301 [0,2,0,0,0,0|2,0,0]=4 5795 B10R0.1 CCCCCNC(=O)COC 527a_100000209983_100000210968 [0,2,0,0,0,0|2,0,0]=4 5796 B10R0.1 CCCCCNC(=O)CSC 11a_100000209983_100000184570 [0,2,0,0,0,0|2,0,0]=4 5797 B10R0.1 CCCCCNC(=O)CSC 1626a_100000209983_100000184570 [0,2,0,0,0,0|2,0,0]=4 5798 B10R0.1 CCCCCNC(=O)CSC 240690a_100000209983_100000184570 [0,2,0,0,0,0|2,0,0]=4 5799 B10R0.1 CCCCCNC(=O)CSC 527a_100000209983_100000184570 [0,2,0,0,0,0|2,0,0]=4 5800 B10R0.1 CCCCCNC(=O)CSC 62a_100000230301_200000210301 [0,2,0,0,0,0|2,0,0]=4 5801 B10R0.1 CCCCCNC(=O)CSC 62a_200000210301_100000230301 [0,2,0,0,0,0|2,0,0]=4 5802 B10R0.1 CCCCCNC(=O)CS[13CH3] 62a_100000230301_200025704644 [0,2,0,0,0,0|2,0,0]=4 5803 B10R0.1 CCCCCNC(=O)CS[13CH3] 62a_200025704644_100000230301 [0,2,0,0,0,0|2,0,0]=4 5804 B10R0.1 CCCCCNC(=O)NCC 2708a_100000209983_100015525214 [0,2,0,0,0,0|2,0,0]=4 5805 B10R0.1 CCCCCNC(=O)NCC 2708a_100015525214_100000209983 [0,2,0,0,0,0|2,0,0]=4 5806 B10R0.1 CCCCCNC(=O)NCC 273464a_100000209983_100015525214 [0,2,0,0,0,0|2,0,0]=4 5807 B10R0.1 CCCCCNC(=O)NCC 273464a_100015525214_100000209983 [0,2,0,0,0,0|2,0,0]=4 5808 B10R0.1 CCCCCNC(=O)NCC 512a_100000209983_100015525214 [0,2,0,0,0,0|2,0,0]=4 5809 B10R0.1 CCCCCNC(=O)NCC 512a_100015525214_100000209983 [0,2,0,0,0,0|2,0,0]=4 5810 B10R0.1 CCCCCNC(=O)NNC 273464a_100000209983_100016993582 [0,2,0,0,0,0|2,0,0]=4 5811 B10R0.1 CCCCCNC(=O)NNC 512a_100000209983_100016993582 [0,2,0,0,0,0|2,0,0]=4 5812 B10R0.1 CCCCCNC(=O)NNC 512a_100016993582_100000209983 [0,2,0,0,0,0|2,0,0]=4 5813 B10R0.1 CCCOCOC(=O)CCC 34a_100000210258_100000034017 [0,2,0,0,0,0|2,0,0]=4 5814 B10R0.1 CCCSCOC(=O)CCC 62a_100000210303_100000034017 [0,2,0,0,0,0|2,0,0]=4 5815 B10R0.1 CCCSCOC(=O)OCC 62a_100000210303_100000075025 [0,2,0,0,0,0|2,0,0]=4 5816 B10R0.1 CCNC(=O)CCNCSC 34a_100025743525_100011218213 [0,2,0,0,0,0|2,0,0]=4 5817 B10R0.1 CCNC(=O)CCSCSC 62a_100000737597_100011218213 [0,2,0,0,0,0|2,0,0]=4 5818 B10R0.1 CCNC(=O)CCSCSC 62a_100011218213_100000737597 [0,2,0,0,0,0|2,0,0]=4 5819 B10R0.1 CCNC(=O)CNCCSC 2230a_100016988866_100000751147 [0,2,0,0,0,0|2,0,0]=4 5820 B10R0.1 CCNC(=O)CNCCSC 2230a_100020590264_100000183381 [0,2,0,0,0,0|2,0,0]=4 5821 B10R0.1 CCNC(=O)COCCSC 34a_100000230434_100000183381 [0,2,0,0,0,0|2,0,0]=4 5822 B10R0.1 CCNC(=O)COCCSC 7a_100000230434_100000183381 [0,2,0,0,0,0|2,0,0]=4 5823 B10R0.1 CCNC(=O)CSCCSC 62a_100000183381_100000751147 [0,2,0,0,0,0|2,0,0]=4 5824 B10R0.1 CCNC(=O)CSCCSC 62a_100000212216_100000183381 [0,2,0,0,0,0|2,0,0]=4 5825 B10R0.1 CCNC(=O)NCCCOC 2708a_100015525214_100150723488 [0,2,0,0,0,0|1,1,0]=4 5826 B10R0.1 CCNC(=O)NCCCOC 2708a_100150723488_100015525214 [0,2,0,0,0,0|1,1,0]=4 5827 B10R0.1 CCNC(=O)NCCCOC 273464a_100015525214_100150723488 [0,2,0,0,0,0|1,1,0]=4 5828 B10R0.1 CCNC(=O)NCCCOC 273464a_100150723488_100015525214 [0,2,0,0,0,0|1,1,0]=4 5829 B10R0.1 CCNC(=O)NCCCOC 512a_100015525214_100150723488 [0,2,0,0,0,0|1,1,0]=4 5830 B10R0.1 CCNC(=O)NCCCSC 2708a_100000749238_100015525214 [0,2,0,0,0,0|1,0,0]=3 5831 B10R0.1 CCNC(=O)NCCCSC 2708a_100015525214_100000749238 [0,2,0,0,0,0|1,0,0]=3 5832 B10R0.1 CCNC(=O)NCCCSC 273464a_100000749238_100015525214 [0,2,0,0,0,0|1,0,0]=3 5833 B10R0.1 CCNC(=O)NCCCSC 273464a_100015525214_100000749238 [0,2,0,0,0,0|1,0,0]=3 5834 B10R0.1 CCNC(=O)NCCCSC 512a_100000749238_100015525214 [0,2,0,0,0,0|1,0,0]=3 5835 B10R0.1 CCNC(=O)NCCCSC 512a_100015525214_100000749238 [0,2,0,0,0,0|1,0,0]=3 5836 B10R0.1 CCOC(=O)CCCCNC 2230a_106832991635_100000750268 [0,2,0,0,0,0|2,0,0]=4 5837 B10R0.1 CCOC(=O)CCCCNC 34a_100102657272_100000750268 [0,2,0,0,0,0|2,0,0]=4 5838 B10R0.1 CCOC(=O)CCCCNC 7a_106832991635_100000750268 [0,2,0,0,0,0|2,0,0]=4 5839 B10R0.1 CCOC(=O)CCCCOC 34a_100138415774_100000750268 [0,2,0,0,0,0|1,1,0]=4 5840 B10R0.1 CCOC(=O)CCCCSC 62a_100000750268_200000210301 [0,2,0,0,0,0|1,0,0]=3 5841 B10R0.1 CCOC(=O)CCCCSC 62a_200000210301_100000750268 [0,2,0,0,0,0|1,0,0]=3 5842 B10R0.1 CCOC(=O)CCCCS[13CH3] 62a_100000750268_200025704644 [0,2,0,0,0,0|1,0,0]=3 5843 B10R0.1 CCOC(=O)CCCCS[13CH3] 62a_200025704644_100000750268 [0,2,0,0,0,0|1,0,0]=3 5844 B10R0.1 CCOC(=O)CCSCSC 62a_100000765890_100011218213 [0,2,0,0,0,0|2,0,0]=4 5845 B10R0.1 CCOC(=O)CCSCSC 62a_100011218213_100000765890 [0,2,0,0,0,0|2,0,0]=4 5846 B10R0.1 CCOC(=O)CNCCSC 2230a_100020590264_100000188475 [0,2,0,0,0,0|2,0,0]=4 5847 B10R0.1 CCOC(=O)COCCSC 34a_100000230434_100000188475 [0,2,0,0,0,0|2,0,0]=4 5848 B10R0.1 CCOC(=O)COCCSC 62a_100000088970_200000210301 [0,2,0,0,0,0|2,0,0]=4 5849 B10R0.1 CCOC(=O)COCCSC 62a_200000210301_100000088970 [0,2,0,0,0,0|2,0,0]=4 5850 B10R0.1 CCOC(=O)COCCSC 7a_100000230434_100000188475 [0,2,0,0,0,0|2,0,0]=4 5851 B10R0.1 CCOC(=O)COCCS[13CH3] 62a_100000088970_200025704644 [0,2,0,0,0,0|2,0,0]=4 5852 B10R0.1 CCOC(=O)COCCS[13CH3] 62a_200025704644_100000088970 [0,2,0,0,0,0|2,0,0]=4 5853 B10R0.1 CCOC(=O)CSCCSC 62a_100000188475_100000751147 [0,2,0,0,0,0|2,0,0]=4 5854 B10R0.1 CCOC(=O)CSCCSC 62a_100000212216_100000188475 [0,2,0,0,0,0|2,0,0]=4 5855 B10R0.1 CCOC(=O)OCSCOC 62a_100000766300_100000075025 [0,2,0,0,0,0|1,1,0]=4 5856 B10R0.1 CCOC(=O)OCSCSC 62a_100011218213_100000075025 [0,2,0,0,0,0|1,0,0]=3 5857 B10R0.1 CCOCCOC(=O)CNC 2230a_106832991635_200000101388 [0,2,0,0,0,0|2,0,0]=4 5858 B10R0.1 CCOCCOC(=O)CNC 34a_100102657272_200000101388 [0,2,0,0,0,0|2,0,0]=4 5859 B10R0.1 CCOCCOC(=O)CNC 7a_106832991635_200000101388 [0,2,0,0,0,0|2,0,0]=4 5860 B10R0.1 CCOCCOC(=O)COC 34a_100138415774_200000101388 [0,2,0,0,0,0|2,0,0]=4 5861 B10R0.1 CCOCCOC(=O)CSC 62a_200000101388_200000210301 [0,2,0,0,0,0|2,0,0]=4 5862 B10R0.1 CCOCCOC(=O)CSC 62a_200000210301_200000101388 [0,2,0,0,0,0|2,0,0]=4 5863 B10R0.1 CCOCCOC(=O)CS[13CH3] 62a_200000101388_200025704644 [0,2,0,0,0,0|2,0,0]=4 5864 B10R0.1 CCOCCOC(=O)CS[13CH3] 62a_200025704644_200000101388 [0,2,0,0,0,0|2,0,0]=4 5865 B10R0.1 CNCC(=O)NCCCOC 2230a_106832991635_100000183178 [0,2,0,0,0,0|1,1,0]=4 5866 B10R0.1 CNCC(=O)NCCCOC 34a_100102657272_100000183178 [0,2,0,0,0,0|1,1,0]=4 5867 B10R0.1 CNCC(=O)NCCCOC 7a_106832991635_100000183178 [0,2,0,0,0,0|1,1,0]=4 5868 B10R0.1 CNNC(=O)NCCCOC 273464a_100150723488_100016993582 [0,2,0,0,0,0|1,1,0]=4 5869 B10R0.1 CNNC(=O)NCCCOC 512a_100016993582_100150723488 [0,2,0,0,0,0|1,1,0]=4 5870 B10R0.1 CNNC(=O)NCCCSC 273464a_100000749238_100016993582 [0,2,0,0,0,0|1,0,0]=3 5871 B10R0.1 CNNC(=O)NCCCSC 512a_100000749238_100016993582 [0,2,0,0,0,0|1,0,0]=3 5872 B10R0.1 CNNC(=O)NCCCSC 512a_100016993582_100000749238 [0,2,0,0,0,0|1,0,0]=3 5873 B10R0.1 COCC(=O)NCCCSC 11a_100000749238_100000210968 [0,2,0,0,0,0|1,0,0]=3 5874 B10R0.1 COCC(=O)NCCCSC 1626a_100000749238_100000210968 [0,2,0,0,0,0|1,0,0]=3 5875 B10R0.1 COCC(=O)NCCCSC 240690a_100000749238_100000210968 [0,2,0,0,0,0|1,0,0]=3 5876 B10R0.1 COCC(=O)NCCCSC 527a_100000749238_100000210968 [0,2,0,0,0,0|1,0,0]=3 5877 B10R0.1 COCC(C)OCCCSC 34a_100000690336_100000765312 [0,2,0,0,0,0|0,0,2]=4 5878 B10R0.1 COCC(C)OCCCSC 7a_100000690336_100000765312 [0,2,0,0,0,0|0,0,2]=4 5879 B10R0.1 COCCCCC(=O)CC#N 1458a_100051588842_100000755781 [0,2,0,0,0,0|1,1,0]=4 5880 B10R0.1 COCCCCC(=O)CCO 1458a_100011216618_100000755781 [0,2,0,0,0,0|1,1,0]=4 5881 B10R0.1 COCCCCC(=O)COC 1458a_100000210968_100000755781 [0,2,0,0,0,0|1,1,0]=4 5882 B10R0.1 COCCCCC(=O)CSC 1458a_100000184570_100000755781 [0,2,0,0,0,0|1,1,0]=4 5883 B10R0.1 COCCCNC(=O)CC#N 1626a_100150723488_100051588842 [0,2,0,0,0,0|1,1,0]=4 5884 B10R0.1 COCCCNC(=O)CC#N 240690a_100150723488_100051588842 [0,2,0,0,0,0|1,1,0]=4 5885 B10R0.1 COCCCNC(=O)CCO 240690a_100150723488_100011216618 [0,2,0,0,0,0|1,1,0]=4 5886 B10R0.1 COCCCNC(=O)COC 1626a_100150723488_100000210968 [0,2,0,0,0,0|1,1,0]=4 5887 B10R0.1 COCCCNC(=O)COC 240690a_100150723488_100000210968 [0,2,0,0,0,0|1,1,0]=4 5888 B10R0.1 COCCCNC(=O)COC 34a_100138415774_100000183178 [0,2,0,0,0,0|1,1,0]=4 5889 B10R0.1 COCCCNC(=O)COC 527a_100150723488_100000210968 [0,2,0,0,0,0|1,1,0]=4 5890 B10R0.1 COCCCNC(=O)CSC 1626a_100150723488_100000184570 [0,2,0,0,0,0|1,1,0]=4 5891 B10R0.1 COCCCNC(=O)CSC 240690a_100150723488_100000184570 [0,2,0,0,0,0|1,1,0]=4 5892 B10R0.1 COCCCNC(=O)CSC 527a_100150723488_100000184570 [0,2,0,0,0,0|1,1,0]=4 5893 B10R0.1 COCCCNC(=O)CSC 62a_100000183178_200000210301 [0,2,0,0,0,0|1,1,0]=4 5894 B10R0.1 COCCCNC(=O)CS[13CH3] 62a_100000183178_200025704644 [0,2,0,0,0,0|1,1,0]=4 5895 B10R0.1 CSCCCNC(=O)C=CBr 1626a_100000749238_100016273825 [0,2,0,0,0,0|1,0,1]=4 5896 B10R0.1 CSCCCNC(=O)C=CBr 240690a_100000749238_100016273825 [0,2,0,0,0,0|1,0,1]=4 5897 B10R0.1 CSCCCNC(=O)C=CCl 11a_100000749238_200016279998 [0,2,0,0,0,0|1,0,1]=4 5898 B10R0.1 CSCCCNC(=O)C=CCl 1626a_100000749238_200016279998 [0,2,0,0,0,0|1,0,1]=4 5899 B10R0.1 CSCCCNC(=O)C=CCl 240690a_100000749238_200016279998 [0,2,0,0,0,0|1,0,1]=4 5900 B10R0.1 CSCCCNC(=O)C=CI 1626a_100000749238_100016256311 [0,2,0,0,0,0|1,0,1]=4 5901 B10R0.1 CSCCCNC(=O)CC#N 1626a_100000749238_100051588842 [0,2,0,0,0,0|1,0,0]=3 5902 B10R0.1 CSCCCNC(=O)CC#N 240690a_100000749238_100051588842 [0,2,0,0,0,0|1,0,0]=3 5903 B10R0.1 CSCCCNC(=O)CCO 240690a_100000749238_100011216618 [0,2,0,0,0,0|1,0,0]=3 5904 B10R0.1 CSCCCNC(=O)CSC 11a_100000749238_100000184570 [0,2,0,0,0,0|1,0,0]=3 5905 B10R0.1 CSCCCNC(=O)CSC 1626a_100000749238_100000184570 [0,2,0,0,0,0|1,0,0]=3 5906 B10R0.1 CSCCCNC(=O)CSC 240690a_100000749238_100000184570 [0,2,0,0,0,0|1,0,0]=3 5907 B10R0.1 CSCCCNC(=O)CSC 527a_100000749238_100000184570 [0,2,0,0,0,0|1,0,0]=3 5908 B10R0.1 CSCCCOC(C)CC#N 7a_100000690336_100009813641 [0,2,0,0,0,0|1,0,1]=4 5909 B10R0.1 CSCCCOC(C)CCO 34a_100000690336_100009893172 [0,2,0,0,0,0|0,0,2]=4 5910 B10R0.1 CSCCCOC(C)CCO 7a_100000690336_100009893172 [0,2,0,0,0,0|0,0,2]=4 5911 B10R0.1 CSCCNCC(=O)NCO 2230a_100020590264_100000185155 [0,2,0,0,0,0|2,0,0]=4 5912 B10R0.1 CSCCOCC(=O)NCO 34a_100000230434_100000185155 [0,2,0,0,0,0|2,0,0]=4 5913 B10R0.1 CSCCOCC(=O)NCO 7a_100000230434_100000185155 [0,2,0,0,0,0|2,0,0]=4 5914 B10R0.1 CSCCSCC(=O)NCO 62a_100000185155_100000751147 [0,2,0,0,0,0|2,0,0]=4 5915 B10R0.1 CSCCSCC(=O)NCO 62a_100000212216_100000185155 [0,2,0,0,0,0|2,0,0]=4 5916 B10R0.41 CCC(CC)OCCCSC 7a_100000690336_100000210505 [0,2,0,0,0,0|1,0,1]=4 5917 B10R0.41 CSCCCOC(C=O)C=O 34a_100000690336_100000736813 [0,2,0,0,0,0|0,0,2]=4 5918 B10R0.83 C=C(CSCSC)C(=O)OC 62a_100009813391_100011218213 [0,2,0,0,0,0|2,0,0]=4 5919 B10R0.83 C=C(CSCSC)C(=O)OC 62a_100011218213_100009813391 [0,2,0,0,0,0|2,0,0]=4 5920 B10R0.83 CCC(=O)C(C)NCCSC 2230a_100020590264_100000742827 [0,2,0,0,0,0|2,0,0]=4 5921 B10R0.83 CCC(=O)C(C)OCCSC 7a_100000230434_100000742827 [0,2,0,0,0,0|2,0,0]=4 5922 B10R0.83 CCC(=O)C(C)SCCSC 62a_100000212216_100000742827 [0,2,0,0,0,0|2,0,0]=4 5923 B10R0.83 CCC(=O)C(C)SCCSC 62a_100000742827_100000751147 [0,2,0,0,0,0|2,0,0]=4 5924 B10R0.83 CCC(=O)N(C)CCCOC 11a_100000224831_100000210414 [0,2,0,0,0,0|1,1,0]=4 5925 B10R0.83 CCC(=O)N(C)CCCOC 1626a_100000224831_100000210414 [0,2,0,0,0,0|1,1,0]=4 5926 B10R0.83 CCC(=O)N(C)CCCOC 240690a_100000224831_100000210414 [0,2,0,0,0,0|1,1,0]=4 5927 B10R0.83 CCC(=O)N(C)CCCOC 527a_100000224831_100000210414 [0,2,0,0,0,0|1,1,0]=4 5928 B10R0.83 CCCCCC(=O)C(=O)NC 1458a_100011218921_100000210326 [0,2,0,0,0,0|2,0,0]=4 5929 B10R0.83 CCCCCC(C)C(=O)CC 1458a_100000210414_200011218191 [0,2,0,0,0,0|2,0,0]=4 5930 B10R0.83 CCCCCC(C)C(=O)CC 1458a_100011215998_100000210202 [0,2,0,0,0,0|2,0,0]=4 5931 B10R0.83 CCCCCC(C)C(=O)CF 1458a_100011215998_100015361967 [0,2,0,0,0,0|2,0,0]=4 5932 B10R0.83 CCCCCC(C)C(=O)CO 1458a_100000210174_200011218191 [0,2,0,0,0,0|2,0,0]=4 5933 B10R0.83 CCCCCC(C)C(=O)NC 11a_106832991635_100011215998 [0,2,0,0,0,0|2,0,0]=4 5934 B10R0.83 CCCCCC(C)C(=O)NC 1626a_100102657272_100011215998 [0,2,0,0,0,0|2,0,0]=4 5935 B10R0.83 CCCCCC(C)C(=O)NC 240690a_100102657272_100011215998 [0,2,0,0,0,0|2,0,0]=4 5936 B10R0.83 CCCCCC(C)C(=O)NC 527a_100102657272_100011215998 [0,2,0,0,0,0|2,0,0]=4 5937 B10R0.83 CCCCCN(C)C(=O)CC 11a_100000223495_100000210414 [0,2,0,0,0,0|2,0,0]=4 5938 B10R0.83 CCCCCN(C)C(=O)CC 1626a_100000223495_100000210414 [0,2,0,0,0,0|2,0,0]=4 5939 B10R0.83 CCCCCN(C)C(=O)CC 240690a_100000223495_100000210414 [0,2,0,0,0,0|2,0,0]=4 5940 B10R0.83 CCCCCN(C)C(=O)CC 527a_100000223495_100000210414 [0,2,0,0,0,0|2,0,0]=4 5941 B10R0.83 CCCCCN(C)C(=O)CO 240690a_100000223495_100000210174 [0,2,0,0,0,0|2,0,0]=4 5942 B10R0.83 CCCCCN(C)C(=O)CO 527a_100000223495_100000210174 [0,2,0,0,0,0|2,0,0]=4 5943 B10R0.83 CCCCCN(C)C(=O)NC 2708a_100102657272_100000223495 [0,2,0,0,0,0|2,0,0]=4 5944 B10R0.83 CCCCCN(C)C(=O)NC 273464a_100102657272_100000223495 [0,2,0,0,0,0|2,0,0]=4 5945 B10R0.83 CNC(=O)C(=O)CCCOC 1458a_100011218921_100000740836 [0,2,0,0,0,0|1,1,0]=4 5946 B10R0.83 CNC(=O)C(=O)NCCSC 1626a_100020590264_100011218921 [0,2,0,0,0,0|2,0,0]=4 5947 B10R0.83 CNC(=O)C(=O)NCCSC 240690a_100020590264_100011218921 [0,2,0,0,0,0|2,0,0]=4 5948 B10R0.83 CNC(=O)C(=O)NCCSC 527a_100020590264_100011218921 [0,2,0,0,0,0|2,0,0]=4 5949 B10R0.83 CNC(=O)C(C)CNCSC 2230a_100015187722_100011218213 [0,2,0,0,0,0|2,0,0]=4 5950 B10R0.83 CNC(=O)C(C)CNCSC 34a_100015187722_100011218213 [0,2,0,0,0,0|2,0,0]=4 5951 B10R0.83 CNC(=O)C(C)NCCSC 2230a_100020590264_100000731044 [0,2,0,0,0,0|2,0,0]=4 5952 B10R0.83 CNC(=O)C(C)OCCSC 34a_100000230434_100000731044 [0,2,0,0,0,0|2,0,0]=4 5953 B10R0.83 CNC(=O)C(C)OCCSC 7a_100000230434_100000209862 [0,2,0,0,0,0|2,0,0]=4 5954 B10R0.83 CNC(=O)C(C)SCCSC 62a_100000209862_100000751147 [0,2,0,0,0,0|2,0,0]=4 5955 B10R0.83 CNC(=O)C(C)SCCSC 62a_100000212216_100000731044 [0,2,0,0,0,0|2,0,0]=4 5956 B10R0.83 CNC(=O)C(F)NCCSC 2230a_100020590264_100009813575 [0,2,0,0,0,0|2,0,0]=4 5957 B10R0.83 CNC(=O)C(F)OCCSC 34a_100000230434_100009813575 [0,2,0,0,0,0|2,0,0]=4 5958 B10R0.83 CNC(=O)C(F)OCCSC 7a_100000230434_100009813575 [0,2,0,0,0,0|2,0,0]=4 5959 B10R0.83 CNC(=O)C(F)SCCSC 62a_100000212216_100009813575 [0,2,0,0,0,0|2,0,0]=4 5960 B10R0.83 CNC(=O)C(F)SCCSC 62a_100009813575_100000751147 [0,2,0,0,0,0|2,0,0]=4 5961 B10R0.83 CNC(=O)N(C)CCCOC 2708a_100102657272_100000224831 [0,2,0,0,0,0|1,1,0]=4 5962 B10R0.83 CNC(=O)N(C)CCCOC 273464a_100102657272_100000224831 [0,2,0,0,0,0|1,1,0]=4 5963 B10R0.83 CNC(=O)[C@@H](C)NCCSC 2230a_100000684985_100000751147 [0,2,0,0,0,0|2,0,0]=4 5964 B10R0.83 CNC(=O)[C@@H](C)NCCSC 34a_100000684985_100000212216 [0,2,0,0,0,0|2,0,0]=4 5965 B10R0.83 COC(=O)C(=O)CSCSC 62a_100011218213_100011610305 [0,2,0,0,0,0|2,0,0]=4 5966 B10R0.83 COC(=O)C(=O)CSCSC 62a_100011610305_100011218213 [0,2,0,0,0,0|2,0,0]=4 5967 B10R0.83 COC(=O)C(=O)NCCSC 11a_100020590264_100000024059 [0,2,0,0,0,0|2,0,0]=4 5968 B10R0.83 COC(=O)C(=O)NCCSC 1626a_100020590264_100000024059 [0,2,0,0,0,0|2,0,0]=4 5969 B10R0.83 COC(=O)C(=O)NCCSC 240690a_100020590264_100000024059 [0,2,0,0,0,0|2,0,0]=4 5970 B10R0.83 COC(=O)C(=O)NCCSC 527a_100020590264_100000024059 [0,2,0,0,0,0|2,0,0]=4 5971 B10R0.83 COC(=O)C(C)COCSC 34a_100000749362_100011218213 [0,2,0,0,0,0|2,0,0]=4 5972 B10R0.83 COC(=O)C(C)CSCSC 62a_100000698445_100011218213 [0,2,0,0,0,0|2,0,0]=4 5973 B10R0.83 COC(=O)C(C)CSCSC 62a_100011218213_100000698445 [0,2,0,0,0,0|2,0,0]=4 5974 B10R0.83 COC(=O)C(C)NCCSC 2230a_100020590264_100000211248 [0,2,0,0,0,0|2,0,0]=4 5975 B10R0.83 COC(=O)C(C)OCCSC 34a_100000230434_100000211248 [0,2,0,0,0,0|2,0,0]=4 5976 B10R0.83 COC(=O)C(C)OCCSC 34a_100011215400_100000212216 [0,2,0,0,0,0|2,0,0]=4 5977 B10R0.83 COC(=O)C(C)OCCSC 7a_100000230434_100000211248 [0,2,0,0,0,0|2,0,0]=4 5978 B10R0.83 COC(=O)C(C)SCCSC 62a_100000211248_100000751147 [0,2,0,0,0,0|2,0,0]=4 5979 B10R0.83 COC(=O)C(C)SCCSC 62a_100000212216_100000211248 [0,2,0,0,0,0|2,0,0]=4 5980 B10R0.83 COC(=O)C(F)COCSC 34a_200009849844_100011218213 [0,2,0,0,0,0|2,0,0]=4 5981 B10R0.83 COC(=O)[C@H](N)COCSC 34a_100000003586_100011218213 [0,2,0,0,0,0|2,0,0]=4 5982 B10R0.83 COCCCN(C)C(=O)CO 240690a_100000224831_100000210174 [0,2,0,0,0,0|1,1,0]=4 5983 B10R0.83 COCCCN(C)C(=O)CO 527a_100000224831_100000210174 [0,2,0,0,0,0|1,1,0]=4 5984 B10R0.108 CCC(=O)NCC(O)COC 240690a_100000756049_100000210414 [0,2,0,0,0,0|1,1,0]=4 5985 B10R0.108 CCC(=O)NCC(O)COC 527a_100000756049_100000210414 [0,2,0,0,0,0|1,1,0]=4 5986 B10R0.108 CNC(=O)CCN(C)CSC 2230a_100000750875_100011218213 [0,2,0,0,0,0|2,0,0]=4 5987 B10R0.108 CNC(=O)CCN(C)CSC 269982a_100000750875_100011218213 [0,2,0,0,0,0|2,0,0]=4 5988 B10R0.108 CNC(=O)CNC(C)CSC 270004a_100000693194_100011216314 [0,2,0,0,0,0|2,0,0]=4 5989 B10R0.108 CNC(=O)NCC(O)COC 2708a_100102657272_100000756049 [0,2,0,0,0,0|1,1,0]=4 5990 B10R0.108 CNC(=O)NCC(O)COC 273464a_100000756049_100102657272 [0,2,0,0,0,0|1,1,0]=4 5991 B10R0.108 CNC(=O)NCC(O)COC 273464a_100102657272_100000756049 [0,2,0,0,0,0|1,1,0]=4 5992 B10R0.108 CNC(=O)NCC(O)COC 512a_100000756049_100102657272 [0,2,0,0,0,0|1,1,0]=4 5993 B10R0.108 CNC(=O)NCC(O)COC 512a_106832991638_100000756049 [0,2,0,0,0,0|1,1,0]=4 5994 B10R0.108 COC(=O)CCC(=O)CSC 62a_100000691467_200000210301 [0,2,0,0,0,0|1,0,1]=4 5995 B10R0.108 COC(=O)CCC(=O)CSC 62a_200000210301_100000691467 [0,2,0,0,0,0|1,0,1]=4 5996 B10R0.108 COC(=O)CCC(=O)CS[13CH3] 62a_100000691467_200025704644 [0,2,0,0,0,0|1,0,1]=4 5997 B10R0.108 COC(=O)CCC(=O)CS[13CH3] 62a_200025704644_100000691467 [0,2,0,0,0,0|1,0,1]=4 5998 B10R0.108 COC(=O)CCN(C)CSC 269982a_100025711912_100011218213 [0,2,0,0,0,0|2,0,0]=4 5999 B10R0.108 COCC(O)CNC(=O)CO 240690a_100000756049_100000210174 [0,2,0,0,0,0|1,1,0]=4 6000 B10R0.108 COCC(O)CNC(=O)CO 527a_100000756049_100000210174 [0,2,0,0,0,0|1,1,0]=4 6001 B10R0.26 COCC(O)CN(C)C(=O)C 240690a_100000739405_100015343762 [0,2,0,0,0,0|1,1,0]=4 6002 B10R0.26 COCC(O)CN(C)C(=O)C 527a_100000739405_100103153847 [0,2,0,0,0,0|1,1,0]=4 6003 B10R0.26 CSCC(=O)CC(=O)C(=O)C 1458a_100000184570_100011261029 [0,2,0,0,0,0|1,0,1]=4 6004 B10R0.42 CSCCOC(C)(C)C(=O)C 34a_100000747739_100000212216 [0,2,0,0,0,0|2,0,0]=4 6005 B10R0.42 CSCCOC(C)(C)C(=O)C 7a_100000230434_100000075568 [0,2,0,0,0,0|2,0,0]=4 6006 B10R0.42 CSCCOC(C)(C)C(=O)C 7a_100000747739_100000212216 [0,2,0,0,0,0|2,0,0]=4 6007 B10R0.42 CSCCSC(C)(C)C(=O)C 62a_100000075568_100000751147 [0,2,0,0,0,0|2,0,0]=4 6008 B10R0.42 CSCCSC(C)(C)C(=O)C 62a_100000212216_100000075568 [0,2,0,0,0,0|2,0,0]=4 6009 B10R0.86 CCCCCC(CC)C(=O)C 1458a_100000697129_200000210301 [0,2,0,0,0,0|2,0,0]=4 6010 B10R0.86 CCCCCC(CC)C(=O)[13CH3] 1458a_100000697129_200025704644 [0,2,0,0,0,0|2,0,0]=4 6011 B10R0.27 CCCN(CC)COC(=O)C 269982a_100000226822_100000076356 [0,2,0,0,0,0|2,0,0]=4 6012 B10R0.27 CCOC(CCl)COC(=O)C 7a_200000139349_100000210202 [0,2,0,0,0,0|2,0,0]=4 6013 B10R0.105 COCC(C)(C)CNC(=O)C 11a_100000734190_100015343762 [0,2,0,0,0,0|1,1,0]=4 6014 B10R0.105 COCC(C)(C)CNC(=O)C 1626a_100000734190_100015343762 [0,2,0,0,0,0|1,1,0]=4 6015 B10R0.105 COCC(C)(C)CNC(=O)C 240690a_100000734190_100015343762 [0,2,0,0,0,0|1,1,0]=4 6016 B10R0.105 COCC(C)(C)CNC(=O)C 527a_100000734190_100103153847 [0,2,0,0,0,0|1,1,0]=4 6017 B8R1.2 CNC1CCCSC1 270004a_106832991635_100000057913 [1,0,0,1,0,0|2,0,0]=4 6018 B8R1.2 CNC1CCOCC1 2230a_100000741149_200000210301 [1,0,0,1,0,0|1,0,1]=4 6019 B8R1.2 CNC1CCOCC1 270004a_106832991635_100011217826 [1,0,0,1,0,0|1,0,1]=4 6020 B8R1.2 CNC1CCOCC1 34a_100000741149_200000210301 [1,0,0,1,0,0|1,0,1]=4 6021 B8R1.2 CNC1CCOCC1 7a_106832991635_100000686592 [1,0,0,1,0,0|1,0,1]=4 6022 B8R1.2 COC1CC=CCC1 34a_100000073881_200000210301 [1,0,0,1,0,0|1,1,0]=4 6023 B8R1.2 COC1CCCSC1 7a_100015962668_200000210301 [1,0,0,1,0,0|2,0,0]=4 6024 B8R1.2 COC1CCOCC1 34a_100000744328_200000210301 [1,0,0,1,0,0|0,1,1]=4 6025 B8R1.2 CSC1C=CCCC1 62a_100000751183_200000210301 [1,0,0,1,0,0|1,0,1]=4 6026 B8R1.2 CSC1C=CCCC1 62a_200000210301_100000751183 [1,0,0,1,0,0|1,0,1]=4 6027 B8R1.2 CSC1CCCCC1 62a_100000210327_200000210301 [1,0,0,1,0,0|1,0,1]=4 6028 B8R1.2 CSC1CCCCC1 62a_200000210301_100000210327 [1,0,0,1,0,0|1,0,1]=4 6029 B8R1.2 CSC1CCCOC1 62a_200000210301_100000693364 [1,0,0,1,0,0|2,0,0]=4 6030 B8R1.2 CSC1CCOCC1 62a_200000210301_100011324220 [1,0,0,1,0,0|0,0,1]=3 6031 B8R1.2 CSC1CCSCC1 62a_200000210301_100000069128 [1,0,0,1,0,0|0,1,1]=4 6032 B8R1.2 [13CH3]NC1CCOCC1 2230a_100000741149_200025704644 [1,0,0,1,0,0|1,0,1]=4 6033 B8R1.2 [13CH3]NC1CCOCC1 34a_100000741149_200025704644 [1,0,0,1,0,0|1,0,1]=4 6034 B8R1.2 [13CH3]OC1CC=CCC1 34a_100000073881_200025704644 [1,0,0,1,0,0|1,1,0]=4 6035 B8R1.2 [13CH3]OC1CCCSC1 7a_100015962668_200025704644 [1,0,0,1,0,0|2,0,0]=4 6036 B8R1.2 [13CH3]OC1CCOCC1 34a_100000744328_200025704644 [1,0,0,1,0,0|0,1,1]=4 6037 B8R1.2 [13CH3]SC1C=CCCC1 62a_100000751183_200025704644 [1,0,0,1,0,0|1,0,1]=4 6038 B8R1.2 [13CH3]SC1C=CCCC1 62a_200025704644_100000751183 [1,0,0,1,0,0|1,0,1]=4 6039 B8R1.2 [13CH3]SC1CCCCC1 62a_100000210327_200025704644 [1,0,0,1,0,0|1,0,1]=4 6040 B8R1.2 [13CH3]SC1CCCCC1 62a_200025704644_100000210327 [1,0,0,1,0,0|1,0,1]=4 6041 B8R1.2 [13CH3]SC1CCCOC1 62a_200025704644_100000693364 [1,0,0,1,0,0|2,0,0]=4 6042 B8R1.2 [13CH3]SC1CCOCC1 62a_200025704644_100011324220 [1,0,0,1,0,0|0,0,1]=3 6043 B8R1.2 [13CH3]SC1CCSCC1 62a_200025704644_100000069128 [1,0,0,1,0,0|0,1,1]=4 6044 B8R1.8 CCNC1CCSC1 270004a_100015525214_100000212027 [1,0,0,1,0,0|1,0,1]=4 6045 B8R1.8 CCOC1CCCC1 34a_100000210269_100000210202 [1,0,0,1,0,0|1,0,1]=4 6046 B8R1.8 CCOC1CCCC1 34a_100121572206_100000179811 [1,0,0,1,0,0|1,0,1]=4 6047 B8R1.8 CCOC1CCCC1 7a_100000210269_100000210202 [1,0,0,1,0,0|1,0,1]=4 6048 B8R1.8 CCOC1CCOC1 34a_100121572206_100000690089 [1,0,0,1,0,0|0,1,1]=4 6049 B8R1.8 CCOC1CCSC1 7a_100011232664_100000210202 [1,0,0,1,0,0|0,0,1]=3 6050 B8R1.8 CCO[C@H]1CCOC1 34a_100000717292_100000210202 [1,0,0,1,0,0|0,1,1]=4 6051 B8R1.8 CNCC1CCOC1 2230a_100000737293_200000210301 [1,0,0,1,0,0|1,0,1]=4 6052 B8R1.8 CNCC1CCOC1 2230a_106832991635_100000702531 [1,0,0,1,0,0|1,0,1]=4 6053 B8R1.8 CNCC1CCOC1 34a_100000737293_200000210301 [1,0,0,1,0,0|1,0,1]=4 6054 B8R1.8 CNCC1CCOC1 34a_100102657272_100011261433 [1,0,0,1,0,0|1,0,1]=4 6055 B8R1.8 CNCC1CCOC1 7a_106832991635_100000702531 [1,0,0,1,0,0|1,0,1]=4 6056 B8R1.8 COCC1CC=CC1 34a_100000688395_200000210301 [1,0,0,1,0,0|1,1,0]=4 6057 B8R1.8 COCC1CCOC1 34a_100000740260_200000210301 [1,0,0,1,0,0|0,1,1]=4 6058 B8R1.8 COCC1CCOC1 34a_100138415774_100011261433 [1,0,0,1,0,0|0,1,1]=4 6059 B8R1.8 CSCC1CCCC1 62a_100000740388_200000210301 [1,0,0,1,0,0|1,0,1]=4 6060 B8R1.8 CSCC1CCCC1 62a_200000210301_100000740388 [1,0,0,1,0,0|1,0,1]=4 6061 B8R1.8 CSCC1CCOC1 62a_100000702531_200000210301 [1,0,0,1,0,0|0,0,1]=3 6062 B8R1.8 CSCC1CCOC1 62a_200000210301_100000702531 [1,0,0,1,0,0|0,0,1]=3 6063 B8R1.8 CSCN1CC=CC1 269982a_100015195280_100011218213 [1,0,0,1,0,0|2,0,0]=4 6064 B8R1.8 FCOC1CCSC1 7a_100011232664_100015361967 [1,0,0,1,0,0|1,0,1]=4 6065 B8R1.8 O=CCN1CCSC1 2230a_100011215254_200015260668 [1,0,0,1,0,0|2,0,0]=4 6066 B8R1.8 O=CCN1CCSC1 269982a_100011215254_200015260668 [1,0,0,1,0,0|2,0,0]=4 6067 B8R1.8 [13CH3]NCC1CCOC1 2230a_100000737293_200025704644 [1,0,0,1,0,0|1,0,1]=4 6068 B8R1.8 [13CH3]NCC1CCOC1 34a_100000737293_200025704644 [1,0,0,1,0,0|1,0,1]=4 6069 B8R1.8 [13CH3]OCC1CC=CC1 34a_100000688395_200025704644 [1,0,0,1,0,0|1,1,0]=4 6070 B8R1.8 [13CH3]OCC1CCOC1 34a_100000740260_200025704644 [1,0,0,1,0,0|0,1,1]=4 6071 B8R1.8 [13CH3]SCC1CCCC1 62a_100000740388_200025704644 [1,0,0,1,0,0|1,0,1]=4 6072 B8R1.8 [13CH3]SCC1CCCC1 62a_200025704644_100000740388 [1,0,0,1,0,0|1,0,1]=4 6073 B8R1.8 [13CH3]SCC1CCOC1 62a_100000702531_200025704644 [1,0,0,1,0,0|0,0,1]=3 6074 B8R1.8 [13CH3]SCC1CCOC1 62a_200025704644_100000702531 [1,0,0,1,0,0|0,0,1]=3 6075 B8R1.9 CCOCC1CC1C 34a_100000744939_100000210202 [1,0,0,1,0,0|1,0,1]=4 6076 B8R1.9 CCOCC1CC1C 7a_100000744939_100000210202 [1,0,0,1,0,0|1,0,1]=4 6077 B8R1.10 CCOCC1CCC1 34a_100000760304_100000210202 [1,0,0,1,0,0|1,0,1]=4 6078 B8R1.10 CCOCC1CCC1 34a_100121572206_100000763275 [1,0,0,1,0,0|1,0,1]=4 6079 B8R1.10 CCOCC1CNC1 34a_100016987283_100000210202 [1,0,0,1,0,0|1,0,1]=4 6080 B8R1.10 CCOCC1COC1 34a_100000060846_100000210202 [1,0,0,1,0,0|0,1,1]=4 6081 B8R1.10 CCOCC1COC1 34a_100121572206_100010264016 [1,0,0,1,0,0|0,1,1]=4 6082 B8R1.10 O=CCOC1CSC1 7a_100000072292_200015260668 [1,0,0,1,0,0|2,0,0]=4 6083 B8R1.11 CNC1CCCC1=O 2230a_106832991635_100000211823 [1,0,0,1,0,0|2,0,0]=4 6084 B8R1.11 CNC1CCCC1=O 34a_100102657272_100000709159 [1,0,0,1,0,0|2,0,0]=4 6085 B8R1.11 CNC1CCCC1=O 7a_106832991635_100000211823 [1,0,0,1,0,0|2,0,0]=4 6086 B8R1.11 CNC1CCNC1=O 2230a_100016995588_200000210301 [1,0,0,1,0,0|2,0,0]=4 6087 B8R1.11 CNC1CCNC1=O 34a_100016995588_200000210301 [1,0,0,1,0,0|2,0,0]=4 6088 B8R1.11 CNC1CCOC1=O 2230a_106832991635_100000211211 [1,0,0,1,0,0|1,0,0]=3 6089 B8R1.11 CNC1CCOC1=O 34a_100102657272_100000211211 [1,0,0,1,0,0|1,0,0]=3 6090 B8R1.11 CNC1CCOC1=O 7a_106832991635_100000211211 [1,0,0,1,0,0|1,0,0]=3 6091 B8R1.11 CNC1CCOC1C 270004a_106832991635_100000691750 [1,0,0,1,0,0|1,0,1]=4 6092 B8R1.11 COC1CCCC1=O 34a_100138415774_100000709159 [1,0,0,1,0,0|1,1,0]=4 6093 B8R1.11 COC1CCCC1=O 34a_200000719330_200000210301 [1,0,0,1,0,0|1,1,0]=4 6094 B8R1.11 COC1CCOC1=O 34a_100138415774_100000211211 [1,0,0,1,0,0|0,1,0]=3 6095 B8R1.11 CO[C@H]1CCNC1=O 34a_100000688343_200000210301 [1,0,0,1,0,0|1,1,0]=4 6096 B8R1.11 CSC1CCCC1=O 62a_100000211823_200000210301 [1,0,0,1,0,0|1,0,0]=3 6097 B8R1.11 CSC1CCCC1=O 62a_200000210301_100000211823 [1,0,0,1,0,0|1,0,0]=3 6098 B8R1.11 CSC1CCOC1=O 62a_100000211211_200000210301 [1,0,0,1,0,0|0,0,0]=2 6099 B8R1.11 CSC1CCOC1=O 62a_200000210301_100000211211 [1,0,0,1,0,0|0,0,0]=2 6100 B8R1.11 [13CH3]NC1CCNC1=O 2230a_100016995588_200025704644 [1,0,0,1,0,0|2,0,0]=4 6101 B8R1.11 [13CH3]NC1CCNC1=O 34a_100016995588_200025704644 [1,0,0,1,0,0|2,0,0]=4 6102 B8R1.11 [13CH3]OC1CCCC1=O 34a_200000719330_200025704644 [1,0,0,1,0,0|1,1,0]=4 6103 B8R1.11 [13CH3]O[C@H]1CCNC1=O 34a_100000688343_200025704644 [1,0,0,1,0,0|1,1,0]=4 6104 B8R1.11 [13CH3]SC1CCCC1=O 62a_100000211823_200025704644 [1,0,0,1,0,0|1,0,0]=3 6105 B8R1.11 [13CH3]SC1CCCC1=O 62a_200025704644_100000211823 [1,0,0,1,0,0|1,0,0]=3 6106 B8R1.11 [13CH3]SC1CCOC1=O 62a_100000211211_200025704644 [1,0,0,1,0,0|0,0,0]=2 6107 B8R1.11 [13CH3]SC1CCOC1=O 62a_200025704644_100000211211 [1,0,0,1,0,0|0,0,0]=2 6108 B8R1.22 CN1CCCOCC1 2230a_100000685342_200000210301 [1,0,0,1,0,0|1,0,1]=4 6109 B8R1.22 CN1CCCOCC1 269982a_100000685342_200000210301 [1,0,0,1,0,0|1,0,1]=4 6110 B8R1.22 CN1CCCOCC1 34a_100000685342_200000210301 [1,0,0,1,0,0|1,0,1]=4 6111 B8R1.22 [13CH3]N1CCCOCC1 2230a_100000685342_200025704644 [1,0,0,1,0,0|1,0,1]=4 6112 B8R1.22 [13CH3]N1CCCOCC1 269982a_100000685342_200025704644 [1,0,0,1,0,0|1,0,1]=4 6113 B8R1.22 [13CH3]N1CCCOCC1 34a_100000685342_200025704644 [1,0,0,1,0,0|1,0,1]=4 6114 B8R1.36 CCOCCC1CC1 34a_100000754188_100000210202 [1,0,0,1,0,0|1,0,1]=4 6115 B8R1.36 CCOCCC1CC1 34a_100121572206_100000694398 [1,0,0,1,0,0|1,0,1]=4 6116 B8R1.36 CCOCCC1CC1 7a_100000754188_100000210202 [1,0,0,1,0,0|1,0,1]=4 6117 B8R1.36 CCOCCC1CO1 34a_100121572206_100000732470 [1,0,0,1,0,0|0,1,1]=4 6118 B8R1.36 CCOCC[C@@H]1CO1 34a_100009820653_100000210202 [1,0,0,1,0,0|0,1,1]=4 6119 B8R1.36 CSCCCC1CO1 62a_100000733510_200000210301 [1,0,0,1,0,0|2,0,0]=4 6120 B8R1.36 CSCCCC1CO1 62a_200000210301_100000733510 [1,0,0,1,0,0|2,0,0]=4 6121 B8R1.36 O=CCSCC1CS1 62a_100000031435_200015260668 [1,0,0,1,0,0|2,0,0]=4 6122 B8R1.36 O=CCSCC1CS1 62a_200015260668_100000031435 [1,0,0,1,0,0|2,0,0]=4 6123 B8R1.36 [13CH3]SCCCC1CO1 62a_100000733510_200025704644 [1,0,0,1,0,0|2,0,0]=4 6124 B8R1.36 [13CH3]SCCCC1CO1 62a_200025704644_100000733510 [1,0,0,1,0,0|2,0,0]=4 6125 B8R1.1 CCN1CNC(=O)C1 2230a_200000708111_100000210202 [1,0,0,1,0,0|2,0,0]=4 6126 B8R1.1 CN1CCC(C1)S[13CH3] 62a_200025704644_200012183744 [1,0,0,1,0,0|2,0,0]=4 6127 B8R1.1 CNC1CNC(=O)C1 2230a_100000697751_200000210301 [1,0,0,1,0,0|2,0,0]=4 6128 B8R1.1 CNC1COC(=O)O1 34a_100102657272_100000032252 [1,0,0,1,0,0|2,0,0]=4 6129 B8R1.1 COC1CCC(=O)C1 34a_100012614533_200000210301 [1,0,0,1,0,0|0,1,0]=3 6130 B8R1.1 COC1CNC(=O)C1 34a_100000690082_200000210301 [1,0,0,1,0,0|1,1,0]=4 6131 B8R1.1 COC1COC(=O)O1 34a_100138415774_100000032252 [1,0,0,1,0,0|1,1,0]=4 6132 B8R1.1 CSC1CCN(C1)C 62a_200000210301_200012183744 [1,0,0,1,0,0|2,0,0]=4 6133 B8R1.1 CSC1COC(=O)O1 62a_200000210301_100000032252 [1,0,0,1,0,0|1,0,0]=3 6134 B8R1.1 [13CH3]NC1CNC(=O)C1 2230a_100000697751_200025704644 [1,0,0,1,0,0|2,0,0]=4 6135 B8R1.1 [13CH3]OC1CCC(=O)C1 34a_100012614533_200025704644 [1,0,0,1,0,0|0,1,0]=3 6136 B8R1.1 [13CH3]OC1CNC(=O)C1 34a_100000690082_200025704644 [1,0,0,1,0,0|1,1,0]=4 6137 B8R1.1 [13CH3]SC1COC(=O)O1 62a_200025704644_100000032252 [1,0,0,1,0,0|1,0,0]=3 6138 B8R1.4 CN1CCNC(=O)C1 2230a_100000184651_200000210301 [1,0,0,1,0,0|2,0,0]=4 6139 B8R1.4 CN1CCOC(=O)C1 2230a_100000131268_200000210301 [1,0,0,1,0,0|1,0,0]=3 6140 B8R1.4 [13CH3]N1CCNC(=O)C1 2230a_100000184651_200025704644 [1,0,0,1,0,0|2,0,0]=4 6141 B8R1.4 [13CH3]N1CCOC(=O)C1 2230a_100000131268_200025704644 [1,0,0,1,0,0|1,0,0]=3 6142 B8R1.6 C=C1CC(C1)CNC 2230a_100102567296_200000210301 [1,0,0,1,0,0|2,0,0]=4 6143 B8R1.6 C=C1CC(C1)CNC 34a_100102567296_200000210301 [1,0,0,1,0,0|2,0,0]=4 6144 B8R1.6 C=C1CC(C1)CN[13CH3] 2230a_100102567296_200025704644 [1,0,0,1,0,0|2,0,0]=4 6145 B8R1.6 C=C1CC(C1)CN[13CH3] 34a_100102567296_200025704644 [1,0,0,1,0,0|2,0,0]=4 6146 B8R1.6 C=C1CC(C1)COC 34a_100011011225_200000210301 [1,0,0,1,0,0|1,1,0]=4 6147 B8R1.6 C=C1CC(C1)CO[13CH3] 34a_100011011225_200025704644 [1,0,0,1,0,0|1,1,0]=4 6148 B8R1.6 CCSC1CC(=O)C1 62a_100009894365_100000210202 [1,0,0,1,0,0|2,0,0]=4 6149 B8R1.6 CNCC1CC(=O)C1 2230a_106832991635_100009874392 [1,0,0,1,0,0|1,0,0]=3 6150 B8R1.6 CNCC1CC(=O)C1 7a_106832991635_100009874392 [1,0,0,1,0,0|1,0,0]=3 6151 B8R1.6 COCC1CC(=O)C1 34a_100000101936_200000210301 [1,0,0,1,0,0|0,1,0]=3 6152 B8R1.6 CSCC1CC(=O)C1 62a_100009874392_200000210301 [1,0,0,1,0,0|0,0,0]=2 6153 B8R1.6 CSCC1CC(=O)C1 62a_200000210301_100009874392 [1,0,0,1,0,0|0,0,0]=2 6154 B8R1.6 [13CH3]OCC1CC(=O)C1 34a_100000101936_200025704644 [1,0,0,1,0,0|0,1,0]=3 6155 B8R1.6 [13CH3]SCC1CC(=O)C1 62a_100009874392_200025704644 [1,0,0,1,0,0|0,0,0]=2 6156 B8R1.6 [13CH3]SCC1CC(=O)C1 62a_200025704644_100009874392 [1,0,0,1,0,0|0,0,0]=2 6157 B8R1.7 CC(=O)C1=CCCC1 1458a_100000038896_200000210301 [1,0,0,1,0,0|1,0,1]=4 6158 B8R1.7 CC(=O)C1CC=CC1 1458a_100000759439_200000210301 [1,0,0,1,0,0|1,0,1]=4 6159 B8R1.7 CC(=O)C1CCCC1 1458a_100000070787_100000179811 [1,0,0,1,0,0|1,0,0]=3 6160 B8R1.7 CC(=O)C1CCCC1 1458a_100000210718_200000210301 [1,0,0,1,0,0|1,0,0]=3 6161 B8R1.7 CC(=O)C1CCCS1 1458a_100012002731_200000210301 [1,0,0,1,0,0|1,0,0]=3 6162 B8R1.7 CC(=O)C1CCOC1 1458a_100000070787_100000690089 [1,0,0,1,0,0|0,1,0]=3 6163 B8R1.7 CC(=O)C1CCOC1 1458a_100011219752_200000210301 [1,0,0,1,0,0|0,1,0]=3 6164 B8R1.7 CC(=O)N1CCCC1 240690a_100000188435_100015343762 [1,0,0,1,0,0|1,0,0]=3 6165 B8R1.7 CC(=O)N1CCCC1 527a_100000188435_100103153847 [1,0,0,1,0,0|1,0,0]=3 6166 B8R1.7 CC(=O)N1CCSC1 11a_100011215254_100015343762 [1,0,0,1,0,0|1,0,0]=3 6167 B8R1.7 CC(=O)N1CCSC1 240690a_100011215254_100015343762 [1,0,0,1,0,0|1,0,0]=3 6168 B8R1.7 CC(=O)N1CCSC1 527a_100011215254_100103153847 [1,0,0,1,0,0|1,0,0]=3 6169 B8R1.7 CC(=O)[C@@H]1CCCO1 1458a_100000686382_200000210301 [1,0,0,1,0,0|1,1,0]=4 6170 B8R1.7 CN(C)C1CCSC1 270004a_100102631434_100000212027 [1,0,0,1,0,0|2,0,0]=4 6171 B8R1.7 [13CH3]C(=O)C1=CCCC1 1458a_100000038896_200025704644 [1,0,0,1,0,0|1,0,1]=4 6172 B8R1.7 [13CH3]C(=O)C1CC=CC1 1458a_100000759439_200025704644 [1,0,0,1,0,0|1,0,1]=4 6173 B8R1.7 [13CH3]C(=O)C1CCCC1 1458a_100000210718_200025704644 [1,0,0,1,0,0|1,0,0]=3 6174 B8R1.7 [13CH3]C(=O)C1CCCS1 1458a_100012002731_200025704644 [1,0,0,1,0,0|1,0,0]=3 6175 B8R1.7 [13CH3]C(=O)C1CCOC1 1458a_100011219752_200025704644 [1,0,0,1,0,0|0,1,0]=3 6176 B8R1.7 [13CH3]C(=O)[C@@H]1CCCO1 1458a_100000686382_200025704644 [1,0,0,1,0,0|1,1,0]=4 6177 B8R1.20 CC(=O)N[C@@H]1C[C@@H]1F 240690a_100015190264_100015343762 [1,0,0,1,0,0|2,0,0]=4 6178 B8R1.20 CC(=O)N[C@@H]1C[C@@H]1F 527a_100015190264_100103153847 [1,0,0,1,0,0|2,0,0]=4 6179 B8R1.20 CC(=O)N[C@@H]1C[C@H]1F 11a_100025746932_100015343762 [1,0,0,1,0,0|2,0,0]=4 6180 B8R1.20 CC(=O)N[C@@H]1C[C@H]1F 1626a_100025746932_100015343762 [1,0,0,1,0,0|2,0,0]=4 6181 B8R1.20 CC(=O)N[C@@H]1C[C@H]1F 240690a_100025746932_100015343762 [1,0,0,1,0,0|2,0,0]=4 6182 B8R1.20 CC(=O)N[C@@H]1C[C@H]1F 527a_100025746932_100103153847 [1,0,0,1,0,0|2,0,0]=4 6183 B8R1.31 CC(=O)C1CCC1=O 1458a_100000070787_100009892977 [1,0,0,1,0,0|2,0,0]=4 6184 B8R1.31 CC(=O)N1CCC1C 11a_100000755817_100015343762 [1,0,0,1,0,0|1,0,0]=3 6185 B8R1.31 CC(=O)N1CCC1C 240690a_100000755817_100015343762 [1,0,0,1,0,0|1,0,0]=3 6186 B8R1.31 CC(=O)N1CCC1C 527a_100000755817_100103153847 [1,0,0,1,0,0|1,0,0]=3 6187 B8R1.31 CN1CCC1C(=O)O 269956a_100000021838_200000210301 [1,0,0,1,0,0|2,0,0]=4 6188 B8R1.31 [13CH3]N1CCC1C(=O)O 269956a_100000021838_200025704644 [1,0,0,1,0,0|2,0,0]=4 6189 B8R1.34 CC(=O)C=C1CCC1 1458a_100000686340_200000210301 [1,0,0,1,0,0|1,0,1]=4 6190 B8R1.34 CC(=O)CC1CCC1 1458a_100000070787_100000763275 [1,0,0,1,0,0|1,0,0]=3 6191 B8R1.34 CC(=O)CC1CCC1 1458a_100000763092_200000210301 [1,0,0,1,0,0|1,0,0]=3 6192 B8R1.34 CC(=O)CC1CCO1 1458a_100000070787_100000103362 [1,0,0,1,0,0|1,1,0]=4 6193 B8R1.34 CC(=O)CC1COC1 1458a_100000070787_100010264016 [1,0,0,1,0,0|0,1,0]=3 6194 B8R1.34 CC(=O)CC1COC1 1458a_100000687760_200000210301 [1,0,0,1,0,0|0,1,0]=3 6195 B8R1.34 CC(=O)NC1CCC1 11a_100000749019_100015343762 [1,0,0,1,0,0|1,0,0]=3 6196 B8R1.34 CC(=O)NC1CCC1 1626a_100000749019_100015343762 [1,0,0,1,0,0|1,0,0]=3 6197 B8R1.34 CC(=O)NC1CCC1 240690a_100000749019_100015343762 [1,0,0,1,0,0|1,0,0]=3 6198 B8R1.34 CC(=O)NC1CCC1 527a_100000749019_100103153847 [1,0,0,1,0,0|1,0,0]=3 6199 B8R1.34 CC(=O)NC1COC1 11a_100016991112_100015343762 [1,0,0,1,0,0|1,1,0]=4 6200 B8R1.34 CC(=O)NC1COC1 1626a_100016991112_100015343762 [1,0,0,1,0,0|1,1,0]=4 6201 B8R1.34 CC(=O)NC1COC1 240690a_100016991112_100015343762 [1,0,0,1,0,0|1,1,0]=4 6202 B8R1.34 CC(=O)NC1COC1 527a_100016991112_100103153847 [1,0,0,1,0,0|1,1,0]=4 6203 B8R1.34 CC(=O)NC1CSC1 11a_100016994217_100015343762 [1,0,0,1,0,0|1,0,0]=3 6204 B8R1.34 CC(=O)NC1CSC1 1626a_100016994217_100015343762 [1,0,0,1,0,0|1,0,0]=3 6205 B8R1.34 CC(=O)NC1CSC1 240690a_100016994217_100015343762 [1,0,0,1,0,0|1,0,0]=3 6206 B8R1.34 CC(=O)NC1CSC1 527a_100016994217_100103153847 [1,0,0,1,0,0|1,0,0]=3 6207 B8R1.34 CC(C)OC1CCC1 34a_100000212225_100000749161 [1,0,0,1,0,0|1,0,1]=4 6208 B8R1.34 CC(C)OC1CCC1 34a_100000748187_100000210206 [1,0,0,1,0,0|1,0,1]=4 6209 B8R1.34 CC(C)OC1CSC1 7a_100000072292_100000210206 [1,0,0,1,0,0|1,0,1]=4 6210 B8R1.34 [13CH3]C(=O)C=C1CCC1 1458a_100000686340_200025704644 [1,0,0,1,0,0|1,0,1]=4 6211 B8R1.34 [13CH3]C(=O)CC1CCC1 1458a_100000763092_200025704644 [1,0,0,1,0,0|1,0,0]=3 6212 B8R1.34 [13CH3]C(=O)CC1COC1 1458a_100000687760_200025704644 [1,0,0,1,0,0|0,1,0]=3 6213 B8R1.35 CC(=O)C=CC1CC1 1458a_100102529529_200000210301 [1,0,0,1,0,0|1,0,1]=4 6214 B8R1.35 CC(=O)CCC1CC1 1458a_100000070787_100000694398 [1,0,0,1,0,0|1,0,0]=3 6215 B8R1.35 CC(=O)CCC1CC1 1458a_100000756386_200000210301 [1,0,0,1,0,0|1,0,0]=3 6216 B8R1.35 CC(=O)CCC1CO1 1458a_100000070787_100000732470 [1,0,0,1,0,0|0,1,0]=3 6217 B8R1.35 CC(=O)COC1CC1 34a_100000211253_100000211595 [1,0,0,1,0,0|2,0,0]=4 6218 B8R1.35 CC(=O)NCC1CC1 11a_100000735609_100015343762 [1,0,0,1,0,0|1,0,0]=3 6219 B8R1.35 CC(=O)NCC1CC1 1626a_100000735609_100015343762 [1,0,0,1,0,0|1,0,0]=3 6220 B8R1.35 CC(=O)NCC1CC1 240690a_100000735609_100015343762 [1,0,0,1,0,0|1,0,0]=3 6221 B8R1.35 CC(=O)NCC1CC1 527a_100000735609_100103153847 [1,0,0,1,0,0|1,0,0]=3 6222 B8R1.35 CC(=O)NNC1CC1 22a_100000701032_100000070787 [1,0,0,1,0,0|2,0,0]=4 6223 B8R1.35 CC(C)OCC1CC1 34a_100000211283_100000210206 [1,0,0,1,0,0|1,0,1]=4 6224 B8R1.35 CC(C)OCC1CC1 34a_100000212225_100000742324 [1,0,0,1,0,0|1,0,1]=4 6225 B8R1.35 [13CH3]C(=O)C=CC1CC1 1458a_100102529529_200025704644 [1,0,0,1,0,0|1,0,1]=4 6226 B8R1.35 [13CH3]C(=O)CCC1CC1 1458a_100000756386_200025704644 [1,0,0,1,0,0|1,0,0]=3 6227 B8R1.43 CC(=O)[C@@H]1C[C@H]1C#N 1458a_100015294237_200000210301 [1,0,0,1,0,0|2,0,0]=4 6228 B8R1.43 CCC1CC1C(=O)C 1458a_200011661523_200000210301 [1,0,0,1,0,0|1,0,0]=3 6229 B8R1.43 CCC1CC1C(=O)[13CH3] 1458a_200011661523_200025704644 [1,0,0,1,0,0|1,0,0]=3 6230 B8R1.43 [13CH3]C(=O)[C@@H]1C[C@H]1C#N 1458a_100015294237_200025704644 [1,0,0,1,0,0|2,0,0]=4 6231 B10R1.13 CC(=O)C1CCC(CC1)C 1458a_100000070787_200011216234 [0,1,0,1,0,0|2,0,0]=4 6232 B10R1.13 CC(=O)C1CCC(CC1)O 1458a_100000743365_200000210301 [0,1,0,1,0,0|2,0,0]=4 6233 B10R1.13 CC(=O)N1CCC(CC1)C 240690a_100000188429_100015343762 [0,1,0,1,0,0|2,0,0]=4 6234 B10R1.13 CC(=O)N1CCC(CC1)C 527a_100000188429_100103153847 [0,1,0,1,0,0|2,0,0]=4 6235 B10R1.13 CC(=O)N1CCC(CC1)F 11a_100015193889_100015343762 [0,1,0,1,0,0|2,0,0]=4 6236 B10R1.13 CC(=O)N1CCC(CC1)F 1626a_100015193889_100015343762 [0,1,0,1,0,0|2,0,0]=4 6237 B10R1.13 CC(=O)N1CCC(CC1)F 240690a_100015193889_100015343762 [0,1,0,1,0,0|2,0,0]=4 6238 B10R1.13 CC(=O)N1CCC(CC1)F 527a_100015193889_100103153847 [0,1,0,1,0,0|2,0,0]=4 6239 B10R1.13 CC(=O)N1CCC(CC1)O 240690a_100025773856_100015343762 [0,1,0,1,0,0|2,0,0]=4 6240 B10R1.13 CC(=O)N1CCC(CC1)O 527a_100025773856_100103153847 [0,1,0,1,0,0|2,0,0]=4 6241 B10R1.13 CC(=O)[C@H]1CC[C@@H](CC1)C 1458a_100009815934_200000210301 [0,1,0,1,0,0|2,0,0]=4 6242 B10R1.13 C[C@H]1CC[C@@H](CC1)C(=O)[13CH3] 1458a_100009815934_200025704644 [0,1,0,1,0,0|2,0,0]=4 6243 B10R1.13 [13CH3]C(=O)C1CCC(CC1)O 1458a_100000743365_200025704644 [0,1,0,1,0,0|2,0,0]=4 6244 B10R1.31 CC(=O)N1CCC(C1)N[13CH3] 2230a_100000705975_200025704644 [0,1,0,1,0,0|2,0,0]=4 6245 B10R1.31 CC(=O)N1CC[C@@H](C1)O[13CH3] 7a_100012000934_200025704644 [0,1,0,1,0,0|1,1,0]=4 6246 B10R1.31 CNC1CCN(C1)C(=O)C 2230a_100000705975_200000210301 [0,1,0,1,0,0|2,0,0]=4 6247 B10R1.31 CO[C@@H]1CCN(C1)C(=O)C 11a_100000766984_100015343762 [0,1,0,1,0,0|1,1,0]=4 6248 B10R1.31 CO[C@@H]1CCN(C1)C(=O)C 1626a_100000766984_100015343762 [0,1,0,1,0,0|1,1,0]=4 6249 B10R1.31 CO[C@@H]1CCN(C1)C(=O)C 240690a_100000766984_100015343762 [0,1,0,1,0,0|1,1,0]=4 6250 B10R1.31 CO[C@@H]1CCN(C1)C(=O)C 527a_100000766984_100103153847 [0,1,0,1,0,0|1,1,0]=4 6251 B10R1.31 CO[C@H]1CCN(C1)C(=O)C 7a_100012000934_200000210301 [0,1,0,1,0,0|1,1,0]=4 6252 B10R1.54 CC(=O)CC1CCN(C1)C 1458a_100000070787_200000690779 [0,1,0,1,0,0|2,0,0]=4 6253 B10R1.54 CC(=O)CC1COC(=O)O1 1458a_100000070787_100000073702 [0,1,0,1,0,0|2,0,0]=4 6254 B10R1.54 CC(=O)C[C@H]1COC(=O)N1 1458a_100000070787_100015307671 [0,1,0,1,0,0|2,0,0]=4 6255 B10R1.54 CC(=O)NC1CCN(C1)C 1626a_100000744687_100015343762 [0,1,0,1,0,0|2,0,0]=4 6256 B10R1.54 CC(=O)NC1CCN(C1)C 240690a_100000744687_100015343762 [0,1,0,1,0,0|2,0,0]=4 6257 B10R1.54 CC(=O)NC1CCN(C1)C 527a_100000744687_100103153847 [0,1,0,1,0,0|2,0,0]=4 6258 B10R1.54 CC(=O)N[C@H]1CCN(C1)C 2230a_100016989438_200000210301 [0,1,0,1,0,0|2,0,0]=4 6259 B10R1.54 CC(=O)N[C@H]1CCN(C1)C 269982a_100016989438_200000210301 [0,1,0,1,0,0|2,0,0]=4 6260 B10R1.54 CC(=O)N[C@H]1CCN(C1)[13CH3] 2230a_100016989438_200025704644 [0,1,0,1,0,0|2,0,0]=4 6261 B10R1.54 CC(=O)N[C@H]1CCN(C1)[13CH3] 269982a_100016989438_200025704644 [0,1,0,1,0,0|2,0,0]=4 6262 B10R1.54 CC(=O)N[C@H]1CC[C@H](C1)O 1626a_100015195300_100015343762 [0,1,0,1,0,0|2,0,0]=4 6263 B10R1.54 CC(=O)N[C@H]1CC[C@H](C1)O 240690a_100015195300_100015343762 [0,1,0,1,0,0|2,0,0]=4 6264 B10R1.54 CN(C)CC1COC(=O)O1 269982a_100102631434_100000073702 [0,1,0,1,0,0|2,0,0]=4 6265 B10R1.54 CN(C)C[C@H]1COC(=O)N1 2230a_100102631434_100015307671 [0,1,0,1,0,0|2,0,0]=4 6266 B10R1.54 CN(C)C[C@H]1COC(=O)N1 269982a_100102631434_100015307671 [0,1,0,1,0,0|2,0,0]=4 6267 B10R1.73 C=C(C)COCC1CC1C 34a_100000744939_100000748629 [0,1,0,1,0,0|2,0,0]=4 6268 B10R1.73 C=C(C)COCC1CC1C 7a_100000744939_100000748629 [0,1,0,1,0,0|2,0,0]=4 6269 B10R1.73 CC(=O)OCN[C@@H]1C[C@H]1F 34a_100025746932_100009813279 [0,1,0,1,0,0|2,0,0]=4 6270 B10R1.73 CC1CC1COCC(=O)N 34a_100000744939_100000187820 [0,1,0,1,0,0|2,0,0]=4 6271 B10R1.73 CC1CC1COCC(=O)N 7a_100000744939_100000187820 [0,1,0,1,0,0|2,0,0]=4 6272 B10R1.73 CC1CC1COCC(=O)[O-] 34a_100000744939_100020667443 [0,1,0,1,0,0|2,0,0]=4 6273 B10R1.117 CC(=O)CCN1CCC1C 269982a_100000755817_100000053229 [0,1,0,1,0,0|2,0,0]=4 6274 B10R1.117 CC(=O)COC1CCC1=O 34a_100000211253_100009892977 [0,1,0,1,0,0|2,0,0]=4 6275 B10R1.117 CC(=O)OCN1CCC1C 269982a_100000755817_100000076356 [0,1,0,1,0,0|1,0,0]=3 6276 B10R1.117 CC(=O)OCN1CCC1C 34a_100000755817_100009813279 [0,1,0,1,0,0|1,0,0]=3 6277 B10R1.127 C=C(C)CCOC1CSC1 7a_100000072292_100000730704 [0,1,0,1,0,0|2,0,0]=4 6278 B10R1.127 C=C(C)COCC1CCC1 34a_100000210245_100000763275 [0,1,0,1,0,0|2,0,0]=4 6279 B10R1.127 C=C(C)COCC1CCC1 34a_100000760304_100000748629 [0,1,0,1,0,0|2,0,0]=4 6280 B10R1.127 C=C(C)COCC1CNC1 34a_100016987283_100000748629 [0,1,0,1,0,0|2,0,0]=4 6281 B10R1.127 C=C(C)COCC1COC1 34a_100000060846_100000748629 [0,1,0,1,0,0|1,1,0]=4 6282 B10R1.127 C=C(C)COCC1COC1 34a_100000210245_100010264016 [0,1,0,1,0,0|1,1,0]=4 6283 B10R1.127 CC(=CCOC1CSC1)C 7a_100000072292_100000761012 [0,1,0,1,0,0|2,0,0]=4 6284 B10R1.127 CC(=O)CCCN1CCC1 269982a_100000754969_100011215641 [0,1,0,1,0,0|2,0,0]=4 6285 B10R1.127 CC(=O)CCOC1CCC1 34a_100000759926_100000749161 [0,1,0,1,0,0|2,0,0]=4 6286 B10R1.127 CC(=O)CCOC1COC1 34a_100000759926_100009818527 [0,1,0,1,0,0|1,1,0]=4 6287 B10R1.127 CC(=O)CCOC1COC1 7a_100000759926_100009818527 [0,1,0,1,0,0|1,1,0]=4 6288 B10R1.127 CC(=O)CCOC1CSC1 7a_100000072292_100000053229 [0,1,0,1,0,0|1,0,0]=3 6289 B10R1.127 CC(=O)CCSC1CCC1 62a_100000053229_100000749161 [0,1,0,1,0,0|2,0,0]=4 6290 B10R1.127 CC(=O)CCSC1COC1 62a_100000053229_100009818527 [0,1,0,1,0,0|1,1,0]=4 6291 B10R1.127 CC(=O)COCC1CCC1 34a_100000211253_100000763275 [0,1,0,1,0,0|1,0,0]=3 6292 B10R1.127 CC(=O)COCC1CCO1 34a_100000211253_100000103362 [0,1,0,1,0,0|2,0,0]=4 6293 B10R1.127 CC(=O)COCC1COC1 34a_100000211253_100010264016 [0,1,0,1,0,0|0,1,0]=3 6294 B10R1.127 CC(=O)NCCN1CCC1 240690a_100000691440_100015343762 [0,1,0,1,0,0|2,0,0]=4 6295 B10R1.127 CC(=O)NCCN1CCC1 269982a_100000754969_100000189650 [0,1,0,1,0,0|2,0,0]=4 6296 B10R1.127 CC(=O)NNCC1CCC1 22a_200020586977_100000070787 [0,1,0,1,0,0|2,0,0]=4 6297 B10R1.127 CC(=O)OCCN1CCC1 269982a_100000754969_100009814007 [0,1,0,1,0,0|1,0,0]=3 6298 B10R1.127 CC(=O)OCNC1CCC1 34a_100000749019_100009813279 [0,1,0,1,0,0|1,0,0]=3 6299 B10R1.127 CC(=O)OCOC1CCC1 34a_100000748187_100009813279 [0,1,0,1,0,0|1,0,0]=3 6300 B10R1.127 CC(=O)OCSC1CCC1 62a_100000076356_100000749161 [0,1,0,1,0,0|1,0,0]=3 6301 B10R1.127 CC(=O)OCSC1COC1 62a_100000076356_100009818527 [0,1,0,1,0,0|0,1,0]=3 6302 B10R1.127 NC(=O)CCOC1CSC1 7a_100000072292_100000744528 [0,1,0,1,0,0|2,0,0]=4 6303 B10R1.127 NC(=O)COCC1CCC1 34a_100000760304_100000187820 [0,1,0,1,0,0|2,0,0]=4 6304 B10R1.127 NC(=O)COCC1CNC1 34a_100016987283_100000187820 [0,1,0,1,0,0|2,0,0]=4 6305 B10R1.127 NC(=O)COCC1COC1 34a_100000060846_100000187820 [0,1,0,1,0,0|1,1,0]=4 6306 B10R1.127 NC(=O)OCCN1CCC1 269982a_100000754969_200011214921 [0,1,0,1,0,0|2,0,0]=4 6307 B10R1.127 O=C([O-])COCC1CCC1 34a_100000760304_100020667443 [0,1,0,1,0,0|2,0,0]=4 6308 B10R1.127 O=C([O-])COCC1CNC1 34a_100016987283_100020667443 [0,1,0,1,0,0|2,0,0]=4 6309 B10R1.127 O=C([O-])COCC1COC1 34a_100000060846_100020667443 [0,1,0,1,0,0|1,1,0]=4 6310 B10R1.153 CCC(=O)CCCC1CO1 1458a_100000210414_100000733510 [0,1,0,1,0,0|1,1,0]=4 6311 B10R1.153 CCC(=O)CSCC1CS1 62a_100000031435_100000747405 [0,1,0,1,0,0|2,0,0]=4 6312 B10R1.153 CCC(=O)CSCC1CS1 62a_100000747405_100000031435 [0,1,0,1,0,0|2,0,0]=4 6313 B10R1.153 CCC(=O)NCCC1CC1 1626a_100000764129_100000210414 [0,1,0,1,0,0|2,0,0]=4 6314 B10R1.153 CCC(=O)NCCC1CC1 240690a_100000764129_100000210414 [0,1,0,1,0,0|2,0,0]=4 6315 B10R1.153 CCC(=O)NCCC1CC1 527a_100000764129_100000210414 [0,1,0,1,0,0|2,0,0]=4 6316 B10R1.153 CNC(=O)CSCC1CS1 62a_100000031435_100000183359 [0,1,0,1,0,0|2,0,0]=4 6317 B10R1.153 CNC(=O)CSCC1CS1 62a_100000183359_100000031435 [0,1,0,1,0,0|2,0,0]=4 6318 B10R1.153 CNC(=O)NCCC1CC1 2708a_100000764129_106832991635 [0,1,0,1,0,0|2,0,0]=4 6319 B10R1.153 CNC(=O)NCCC1CC1 2708a_100102657272_100000764129 [0,1,0,1,0,0|2,0,0]=4 6320 B10R1.153 CNC(=O)NCCC1CC1 273464a_100000764129_100102657272 [0,1,0,1,0,0|2,0,0]=4 6321 B10R1.153 CNC(=O)NCCC1CC1 273464a_100102657272_100000764129 [0,1,0,1,0,0|2,0,0]=4 6322 B10R1.153 CNC(=O)NCCC1CC1 512a_100000764129_100102657272 [0,1,0,1,0,0|2,0,0]=4 6323 B10R1.153 CNC(=O)NCCC1CC1 512a_106832991638_100000764129 [0,1,0,1,0,0|2,0,0]=4 6324 B10R1.153 COC(=O)CSCC1CS1 62a_100000031435_100000747449 [0,1,0,1,0,0|2,0,0]=4 6325 B10R1.153 COC(=O)CSCC1CS1 62a_100000747449_100000031435 [0,1,0,1,0,0|2,0,0]=4 6326 B10R1.153 O=C(CO)CCCC1CO1 1458a_100000210174_100000733510 [0,1,0,1,0,0|1,1,0]=4 6327 B10R1.153 O=C(CO)NCCC1CC1 240690a_100000764129_100000210174 [0,1,0,1,0,0|2,0,0]=4 6328 B10R1.153 O=C(CO)NCCC1CC1 527a_100000764129_100000210174 [0,1,0,1,0,0|2,0,0]=4 6329 B10R1.168 CCN1CC(C1)OC(=O)C 269982a_100016994906_100000204670 [0,1,0,1,0,0|2,0,0]=4 6330 B10R1.168 CO[C@H]1C[C@@H](C1)NC(=O)C 11a_100121570643_100015343762 [0,1,0,1,0,0|1,1,0]=4 6331 B10R1.168 CO[C@H]1C[C@@H](C1)NC(=O)C 1626a_100121570643_100015343762 [0,1,0,1,0,0|1,1,0]=4 6332 B10R1.168 CO[C@H]1C[C@@H](C1)NC(=O)C 240690a_100121570643_100015343762 [0,1,0,1,0,0|1,1,0]=4 6333 B10R1.168 CO[C@H]1C[C@@H](C1)NC(=O)C 527a_100121570643_100103153847 [0,1,0,1,0,0|1,1,0]=4 6334 B10R1.171 CC1(CC(CCO1)S[13CH3])C 62a_100010191092_200025704644 [0,1,0,1,0,0|1,0,1]=4 6335 B10R1.171 CC1(CC(CCO1)S[13CH3])C 62a_200025704644_100010191092 [0,1,0,1,0,0|1,0,1]=4 6336 B10R1.171 CSC1CCOC(C1)(C)C 62a_100010191092_200000210301 [0,1,0,1,0,0|1,0,1]=4 6337 B10R1.171 CSC1CCOC(C1)(C)C 62a_200000210301_100010191092 [0,1,0,1,0,0|1,0,1]=4 6338 B10R1.277 CN1CCCN(C(=O)C1)C 2230a_100000709885_200000210301 [0,1,0,1,0,0|2,0,0]=4 6339 B10R1.277 CN1CCCN(C(=O)C1)C 269982a_100000709885_200000210301 [0,1,0,1,0,0|2,0,0]=4 6340 B10R1.277 CN1CCCN(C(=O)C1)C 34a_100000709885_200000210301 [0,1,0,1,0,0|2,0,0]=4 6341 B10R1.277 CN1CCCN(CC1=O)[13CH3] 2230a_100000709885_200025704644 [0,1,0,1,0,0|2,0,0]=4 6342 B10R1.277 CN1CCCN(CC1=O)[13CH3] 269982a_100000709885_200025704644 [0,1,0,1,0,0|2,0,0]=4 6343 B10R1.277 CN1CCCN(CC1=O)[13CH3] 34a_100000709885_200025704644 [0,1,0,1,0,0|2,0,0]=4 6344 B10R1.10 C#CCN1CCOC(=O)C1 2230a_100000131268_100000038162 [0,1,0,1,0,0|1,0,1]=4 6345 B10R1.10 C=CCN1CCOC(=O)C1 2230a_100000131268_100000210623 [0,1,0,1,0,0|1,0,1]=4 6346 B10R1.10 CCCN1CCNC(=O)C1 2230a_100000184651_100000210303 [0,1,0,1,0,0|2,0,0]=4 6347 B10R1.10 CCCN1CCOC(=O)C1 2230a_100000131268_100000210303 [0,1,0,1,0,0|1,0,0]=3 6348 B10R1.10 CCNC1CCNC(=O)C1 2230a_100016994916_100000210202 [0,1,0,1,0,0|2,0,0]=4 6349 B10R1.10 CCNC1CCNC(=O)C1 34a_100016994916_100000210202 [0,1,0,1,0,0|2,0,0]=4 6350 B10R1.10 CCOC1CCCC(=O)C1 34a_100012613340_100000210202 [0,1,0,1,0,0|1,1,0]=4 6351 B10R1.10 CCO[C@@H]1CCNC(=O)C1 34a_100015189427_100000210202 [0,1,0,1,0,0|1,1,0]=4 6352 B10R1.10 COCC1CCNC(=O)C1 34a_100009886756_200000210301 [0,1,0,1,0,0|1,1,0]=4 6353 B10R1.10 COCC1COCC(=O)N1 34a_200000101122_200000210301 [0,1,0,1,0,0|1,1,0]=4 6354 B10R1.10 COCN1CCNC(=O)C1 2230a_100000184651_100000766300 [0,1,0,1,0,0|1,1,0]=4 6355 B10R1.10 COCN1CCOC(=O)C1 2230a_100000131268_100000766300 [0,1,0,1,0,0|0,1,0]=3 6356 B10R1.10 CSCN1CCC=C(C1)C 2230a_100000725631_100011218213 [0,1,0,1,0,0|2,0,0]=4 6357 B10R1.10 CSCN1CCC=C(C1)C 269982a_100000725631_100011218213 [0,1,0,1,0,0|2,0,0]=4 6358 B10R1.10 CSCN1CCC=C(C1)C 34a_100000725631_100011218213 [0,1,0,1,0,0|2,0,0]=4 6359 B10R1.10 CSCN1CCNC(=O)C1 2230a_100000184651_100011218213 [0,1,0,1,0,0|1,0,0]=3 6360 B10R1.10 CSCN1CCOC(=O)C1 2230a_100000131268_100011218213 [0,1,0,1,0,0|0,0,0]=2 6361 B10R1.10 CSCN1CCOC(C1)C 2230a_100000729577_100011218213 [0,1,0,1,0,0|1,0,1]=4 6362 B10R1.10 CSCN1CCOC(C1)C 269982a_100000729577_100011218213 [0,1,0,1,0,0|1,0,1]=4 6363 B10R1.10 CSCN1CCOC(C1)C 34a_100000729577_100011218213 [0,1,0,1,0,0|1,0,1]=4 6364 B10R1.10 CSCN1CCOC(C1)O 2230a_100000688207_100011218213 [0,1,0,1,0,0|0,0,2]=4 6365 B10R1.10 CSCN1CCOC(C1)O 269982a_100000688207_100011218213 [0,1,0,1,0,0|0,0,2]=4 6366 B10R1.10 N#CCN1CCOC(=O)C1 2230a_100000131268_100011215382 [0,1,0,1,0,0|2,0,0]=4 6367 B10R1.10 O=C1CC(CCN1)NCF 34a_100016994916_100015361967 [0,1,0,1,0,0|2,0,0]=4 6368 B10R1.10 O=C1CCCC(C1)OCF 34a_100012613340_100015361967 [0,1,0,1,0,0|1,1,0]=4 6369 B10R1.10 O=C1CN(CCO1)CCF 2230a_100000131268_100011217306 [0,1,0,1,0,0|2,0,0]=4 6370 B10R1.10 O=C1CN(CCO1)CCO 2230a_100000131268_100000211926 [0,1,0,1,0,0|2,0,0]=4 6371 B10R1.10 O=C1C[C@@H](CCN1)OCF 34a_100015189427_100015361967 [0,1,0,1,0,0|1,1,0]=4 6372 B10R1.10 O=CCN1CCOC(=O)C1 2230a_100000131268_200015260668 [0,1,0,1,0,0|2,0,0]=4 6373 B10R1.10 [13CH3]OCC1CCNC(=O)C1 34a_100009886756_200025704644 [0,1,0,1,0,0|1,1,0]=4 6374 B10R1.10 [13CH3]OCC1COCC(=O)N1 34a_200000101122_200025704644 [0,1,0,1,0,0|1,1,0]=4 6375 B10R1.16 CCCCN1CNC(=O)C1 2230a_200000708111_100000210211 [0,1,0,1,0,0|2,0,0]=4 6376 B10R1.16 CCCNC1CNC(=O)C1 2230a_100000697751_100000210303 [0,1,0,1,0,0|2,0,0]=4 6377 B10R1.16 CCCOC1CCC(=O)C1 34a_100012614533_100000210303 [0,1,0,1,0,0|2,0,0]=4 6378 B10R1.16 CCCOC1CNC(=O)C1 34a_100000690082_100000210303 [0,1,0,1,0,0|2,0,0]=4 6379 B10R1.16 CCCOC1COC(=O)O1 34a_100000210258_100000032252 [0,1,0,1,0,0|2,0,0]=4 6380 B10R1.16 CCCSC1COC(=O)O1 62a_100000210303_100000032252 [0,1,0,1,0,0|2,0,0]=4 6381 B10R1.16 CCNCC1CNC(=O)C1 2230a_100016993742_100000210202 [0,1,0,1,0,0|2,0,0]=4 6382 B10R1.16 CCNCC1CNC(=O)C1 34a_100016993742_100000210202 [0,1,0,1,0,0|2,0,0]=4 6383 B10R1.16 CCNCC1CNC(=O)O1 2230a_100015525214_100000181169 [0,1,0,1,0,0|2,0,0]=4 6384 B10R1.16 CCNC[C@H]1COC(=O)N1 2230a_100015525214_100015307671 [0,1,0,1,0,0|2,0,0]=4 6385 B10R1.16 CCOCC1CNC(=O)C1 34a_100016041077_100000210202 [0,1,0,1,0,0|1,1,0]=4 6386 B10R1.16 CCOCC1CNC(=O)O1 34a_100011315639_100000210202 [0,1,0,1,0,0|2,0,0]=4 6387 B10R1.16 CCOCC1CNC(=O)O1 34a_100121572206_100000181169 [0,1,0,1,0,0|2,0,0]=4 6388 B10R1.16 CCOCC1COC(=O)O1 34a_100121572206_100000073702 [0,1,0,1,0,0|1,1,0]=4 6389 B10R1.16 CCOC[C@H]1COC(=O)N1 34a_100121572206_100015307671 [0,1,0,1,0,0|1,1,0]=4 6390 B10R1.16 CCSCC1=CC(=O)OC1 62a_100000210202_100000716558 [0,1,0,1,0,0|0,0,2]=4 6391 B10R1.16 CCSCC1=CC(=O)OC1 62a_100000716558_100000210202 [0,1,0,1,0,0|0,0,2]=4 6392 B10R1.16 CCSCC1CNC(=O)O1 62a_100000181169_100000210202 [0,1,0,1,0,0|2,0,0]=4 6393 B10R1.16 CCSCC1CNC(=O)O1 62a_100000210202_100000181169 [0,1,0,1,0,0|2,0,0]=4 6394 B10R1.16 CCSCC1COC(=O)O1 62a_100000073702_100000210202 [0,1,0,1,0,0|1,0,0]=3 6395 B10R1.16 CCSCC1COC(=O)O1 62a_100000210202_100000073702 [0,1,0,1,0,0|1,0,0]=3 6396 B10R1.16 CCSC[C@@H]1CCC(=O)N1 62a_100000210202_100015189358 [0,1,0,1,0,0|2,0,0]=4 6397 B10R1.16 CCSC[C@@H]1CCC(=O)N1 62a_100015189358_100000210202 [0,1,0,1,0,0|2,0,0]=4 6398 B10R1.16 CCSC[C@H]1COC(=O)N1 62a_100000210202_100015307671 [0,1,0,1,0,0|1,0,0]=3 6399 B10R1.16 CCSC[C@H]1COC(=O)N1 62a_100015307671_100000210202 [0,1,0,1,0,0|1,0,0]=3 6400 B10R1.16 CNCCC1COS(=O)O1 7a_106832991635_100009840081 [0,1,0,1,0,0|2,0,0]=4 6401 B10R1.16 COCCN1CNC(=O)C1 2230a_200000708111_100011201679 [0,1,0,1,0,0|1,1,0]=4 6402 B10R1.16 COCNC1CNC(=O)C1 2230a_100000697751_100000766300 [0,1,0,1,0,0|1,1,0]=4 6403 B10R1.16 COCSC1COC(=O)O1 62a_100000766300_100000032252 [0,1,0,1,0,0|1,1,0]=4 6404 B10R1.16 CSCCC1COS(=O)O1 62a_200000210301_100009840081 [0,1,0,1,0,0|1,0,0]=3 6405 B10R1.16 CSCCN1CNC(=O)C1 2230a_200000708111_100000751147 [0,1,0,1,0,0|1,0,0]=3 6406 B10R1.16 CSCCc1nc(no1)C 270196a_100000212224_100000174002 [0,1,0,1,0,0|1,0,1]=4 6407 B10R1.16 CSCNC1CNC(=O)C1 2230a_100000697751_100011218213 [0,1,0,1,0,0|1,0,0]=3 6408 B10R1.16 CSCOC1CCC(=O)C1 34a_100012614533_100011218213 [0,1,0,1,0,0|1,0,0]=3 6409 B10R1.16 CSCOC1CNC(=O)C1 34a_100000690082_100011218213 [0,1,0,1,0,0|1,0,0]=3 6410 B10R1.16 CSCSC1COC(=O)O1 62a_100011218213_100000032252 [0,1,0,1,0,0|1,0,0]=3 6411 B10R1.16 O=C1C=C(CO1)CSCF 62a_100000716558_100015361967 [0,1,0,1,0,0|0,0,2]=4 6412 B10R1.16 O=C1C=C(CO1)CSCF 62a_100015361967_100000716558 [0,1,0,1,0,0|0,0,2]=4 6413 B10R1.16 O=C1CC(CN1)CNCF 34a_100016993742_100015361967 [0,1,0,1,0,0|2,0,0]=4 6414 B10R1.16 O=C1CC(CN1)COCF 34a_100016041077_100015361967 [0,1,0,1,0,0|1,1,0]=4 6415 B10R1.16 O=C1CC[C@H](N1)CSCF 62a_100015189358_100015361967 [0,1,0,1,0,0|2,0,0]=4 6416 B10R1.16 O=C1CC[C@H](N1)CSCF 62a_100015361967_100015189358 [0,1,0,1,0,0|2,0,0]=4 6417 B10R1.16 O=C1NCC(O1)CSCF 62a_100000181169_100015361967 [0,1,0,1,0,0|2,0,0]=4 6418 B10R1.16 O=C1NCC(O1)CSCF 62a_100015361967_100000181169 [0,1,0,1,0,0|2,0,0]=4 6419 B10R1.16 O=C1N[C@H](CO1)CSCF 62a_100015307671_100015361967 [0,1,0,1,0,0|1,0,0]=3 6420 B10R1.16 O=C1N[C@H](CO1)CSCF 62a_100015361967_100015307671 [0,1,0,1,0,0|1,0,0]=3 6421 B10R1.16 O=C1OCC(O1)CSCF 62a_100000073702_100015361967 [0,1,0,1,0,0|1,0,0]=3 6422 B10R1.16 O=C1OCC(O1)CSCF 62a_100015361967_100000073702 [0,1,0,1,0,0|1,0,0]=3 6423 B10R1.16 [13CH3]SCCC1COS(=O)O1 62a_200025704644_100009840081 [0,1,0,1,0,0|1,0,0]=3 6424 B10R1.18 CC(=O)C=C1CCCCC1 1458a_100000743792_200000210301 [0,1,0,1,0,0|2,0,0]=4 6425 B10R1.18 CC(=O)CC1CCCCC1 1458a_100000070787_100000211423 [0,1,0,1,0,0|2,0,0]=4 6426 B10R1.18 CC(=O)CC1CCCCC1 1458a_100000211666_200000210301 [0,1,0,1,0,0|2,0,0]=4 6427 B10R1.18 CC(=O)CC1CCCCO1 1458a_100000070787_100000211543 [0,1,0,1,0,0|2,0,0]=4 6428 B10R1.18 CC(=O)CC1CCCCO1 1458a_100000238585_200000210301 [0,1,0,1,0,0|2,0,0]=4 6429 B10R1.18 CC(=O)CC1CCCOC1 1458a_100000070787_100000741521 [0,1,0,1,0,0|1,1,0]=4 6430 B10R1.18 CC(=O)CC1CCCOC1 1458a_100000741523_200000210301 [0,1,0,1,0,0|1,1,0]=4 6431 B10R1.18 CC(=O)CC1CCOCC1 1458a_100000070787_100000754603 [0,1,0,1,0,0|1,1,0]=4 6432 B10R1.18 CC(=O)CC1CCOCC1 1458a_100000757261_200000210301 [0,1,0,1,0,0|1,1,0]=4 6433 B10R1.18 CC(=O)CN1CCCCC1 1458a_100000740322_200000210301 [0,1,0,1,0,0|2,0,0]=4 6434 B10R1.18 CC(=O)NC1CCCCC1 11a_100000182618_100015343762 [0,1,0,1,0,0|2,0,0]=4 6435 B10R1.18 CC(=O)NC1CCCCC1 1626a_100000182618_100015343762 [0,1,0,1,0,0|2,0,0]=4 6436 B10R1.18 CC(=O)NC1CCCCC1 240690a_100000182618_100015343762 [0,1,0,1,0,0|2,0,0]=4 6437 B10R1.18 CC(=O)NC1CCCCC1 527a_100000182618_100103153847 [0,1,0,1,0,0|2,0,0]=4 6438 B10R1.18 CC(=O)NC1CCCOC1 11a_100000719290_100015343762 [0,1,0,1,0,0|1,1,0]=4 6439 B10R1.18 CC(=O)NC1CCCOC1 1626a_100000719290_100015343762 [0,1,0,1,0,0|1,1,0]=4 6440 B10R1.18 CC(=O)NC1CCCOC1 240690a_100000719290_100015343762 [0,1,0,1,0,0|1,1,0]=4 6441 B10R1.18 CC(=O)NC1CCCOC1 527a_100000719290_100103153847 [0,1,0,1,0,0|1,1,0]=4 6442 B10R1.18 CC(=O)NC1CCOCC1 11a_100000741149_100015343762 [0,1,0,1,0,0|1,1,0]=4 6443 B10R1.18 CC(=O)NC1CCOCC1 1626a_100000741149_100015343762 [0,1,0,1,0,0|1,1,0]=4 6444 B10R1.18 CC(=O)NC1CCOCC1 240690a_100000741149_100015343762 [0,1,0,1,0,0|1,1,0]=4 6445 B10R1.18 CC(=O)NC1CCOCC1 527a_100000741149_100103153847 [0,1,0,1,0,0|1,1,0]=4 6446 B10R1.18 CC(=O)NC1CCSCC1 11a_100000748639_100015343762 [0,1,0,1,0,0|1,0,0]=3 6447 B10R1.18 CC(=O)NC1CCSCC1 1626a_100000748639_100015343762 [0,1,0,1,0,0|1,0,0]=3 6448 B10R1.18 CC(=O)NC1CCSCC1 240690a_100000748639_100015343762 [0,1,0,1,0,0|1,0,0]=3 6449 B10R1.18 CC(=O)NC1CCSCC1 527a_100000748639_100103153847 [0,1,0,1,0,0|1,0,0]=3 6450 B10R1.18 CC(C)OC1CCCSC1 7a_100015962668_100000210206 [0,1,0,1,0,0|1,0,1]=4 6451 B10R1.18 CC(C)OC1CCSCC1 34a_100000212225_100000069128 [0,1,0,1,0,0|1,0,1]=4 6452 B10R1.18 CC(C)OC1CCSCC1 34a_100000731022_100000210206 [0,1,0,1,0,0|1,0,1]=4 6453 B10R1.18 CC(C)OC1CCSCC1 7a_100000731022_100000210206 [0,1,0,1,0,0|1,0,1]=4 6454 B10R1.18 [13CH3]C(=O)C=C1CCCCC1 1458a_100000743792_200025704644 [0,1,0,1,0,0|2,0,0]=4 6455 B10R1.18 [13CH3]C(=O)CC1CCCCC1 1458a_100000211666_200025704644 [0,1,0,1,0,0|2,0,0]=4 6456 B10R1.18 [13CH3]C(=O)CC1CCCCO1 1458a_100000238585_200025704644 [0,1,0,1,0,0|2,0,0]=4 6457 B10R1.18 [13CH3]C(=O)CC1CCCOC1 1458a_100000741523_200025704644 [0,1,0,1,0,0|1,1,0]=4 6458 B10R1.18 [13CH3]C(=O)CC1CCOCC1 1458a_100000757261_200025704644 [0,1,0,1,0,0|1,1,0]=4 6459 B10R1.18 [13CH3]C(=O)CN1CCCCC1 1458a_100000740322_200025704644 [0,1,0,1,0,0|2,0,0]=4 6460 B10R1.24 C=C1CC(C1)CNCSC 2230a_100102567296_100011218213 [0,1,0,1,0,0|2,0,0]=4 6461 B10R1.24 C=C1CC(C1)CNCSC 34a_100102567296_100011218213 [0,1,0,1,0,0|2,0,0]=4 6462 B10R1.24 C=C1CC(C1)COCSC 34a_100011011225_100011218213 [0,1,0,1,0,0|2,0,0]=4 6463 B10R1.24 C=C1CC(C1)NCCSC 2230a_100132301982_100000751147 [0,1,0,1,0,0|2,0,0]=4 6464 B10R1.24 CCCCSC1CC(=O)C1 62a_100009894365_100000210210 [0,1,0,1,0,0|2,0,0]=4 6465 B10R1.24 CCCOCC1CC(=O)C1 34a_100000101936_100000210303 [0,1,0,1,0,0|2,0,0]=4 6466 B10R1.24 CCCSCC1CC(=O)C1 62a_100000210303_100009874392 [0,1,0,1,0,0|2,0,0]=4 6467 B10R1.24 CCCSCC1CC(=O)C1 62a_100009874392_100000210303 [0,1,0,1,0,0|2,0,0]=4 6468 B10R1.24 COCCSC1CC(=O)C1 62a_100009894365_100000233755 [0,1,0,1,0,0|1,1,0]=4 6469 B10R1.24 COCSCC1CC(=O)C1 62a_100000766300_100009874392 [0,1,0,1,0,0|1,1,0]=4 6470 B10R1.24 COCSCC1CC(=O)C1 62a_100009874392_100000766300 [0,1,0,1,0,0|1,1,0]=4 6471 B10R1.24 CSCCSC1CC(=O)C1 62a_100009894365_100000751147 [0,1,0,1,0,0|1,0,0]=3 6472 B10R1.24 CSCOCC1CC(=O)C1 34a_100000101936_100011218213 [0,1,0,1,0,0|1,0,0]=3 6473 B10R1.24 CSCSCC1CC(=O)C1 62a_100009874392_100011218213 [0,1,0,1,0,0|1,0,0]=3 6474 B10R1.24 CSCSCC1CC(=O)C1 62a_100011218213_100009874392 [0,1,0,1,0,0|1,0,0]=3 6475 B10R1.39 CC(=O)N1CCC[C@@H]1CO 240690a_100000745186_100015343762 [0,1,0,1,0,0|2,0,0]=4 6476 B10R1.39 CC(=O)N1CCC[C@@H]1CO 527a_100000745186_100103153847 [0,1,0,1,0,0|2,0,0]=4 6477 B10R1.39 CCC1CCCN1C(=O)C 11a_100000754278_100015343762 [0,1,0,1,0,0|2,0,0]=4 6478 B10R1.39 CCC1CCCN1C(=O)C 1626a_100000754278_100015343762 [0,1,0,1,0,0|2,0,0]=4 6479 B10R1.39 CCC1CCCN1C(=O)C 240690a_100000754278_100015343762 [0,1,0,1,0,0|2,0,0]=4 6480 B10R1.39 CCC1CCCN1C(=O)C 527a_100000754278_100103153847 [0,1,0,1,0,0|2,0,0]=4 6481 B10R1.39 CCN1CCCC1C(=O)C 1458a_106256033941_200000210301 [0,1,0,1,0,0|2,0,0]=4 6482 B10R1.39 CCN1CCCC1C(=O)[13CH3] 1458a_106256033941_200025704644 [0,1,0,1,0,0|2,0,0]=4 6483 B10R1.61 CC(=O)C1=C(OCCO1)C 1458a_100000068647_200000210301 [0,1,0,1,0,0|2,0,0]=4 6484 B10R1.61 CC(=O)C1CCCCC1C 1458a_100011215568_200000210301 [0,1,0,1,0,0|2,0,0]=4 6485 B10R1.61 CC(=O)C1CCCCC1O 1458a_100011803323_200000210301 [0,1,0,1,0,0|2,0,0]=4 6486 B10R1.61 CC(=O)N1CCCCC1C 11a_100000211376_100015343762 [0,1,0,1,0,0|2,0,0]=4 6487 B10R1.61 CC(=O)N1CCCCC1C 1626a_100000211376_100015343762 [0,1,0,1,0,0|2,0,0]=4 6488 B10R1.61 CC(=O)N1CCCCC1C 240690a_100000211376_100015343762 [0,1,0,1,0,0|2,0,0]=4 6489 B10R1.61 CC(=O)N1CCCCC1C 527a_100000211376_100103153847 [0,1,0,1,0,0|2,0,0]=4 6490 B10R1.61 CC(=O)N1CCOC[C@@H]1C 11a_100009815349_100015343762 [0,1,0,1,0,0|2,0,0]=4 6491 B10R1.61 CC(=O)N1CCOC[C@@H]1C 240690a_100009815349_100015343762 [0,1,0,1,0,0|2,0,0]=4 6492 B10R1.61 CC(=O)N1CCOC[C@@H]1C 527a_100009815349_100103153847 [0,1,0,1,0,0|2,0,0]=4 6493 B10R1.61 CC(=O)[C@H]1CCCCN1C 1458a_100000767060_200000210301 [0,1,0,1,0,0|2,0,0]=4 6494 B10R1.61 CC1=C(OCCO1)C(=O)[13CH3] 1458a_100000068647_200025704644 [0,1,0,1,0,0|2,0,0]=4 6495 B10R1.61 CC1CCCCC1C(=O)[13CH3] 1458a_100011215568_200025704644 [0,1,0,1,0,0|2,0,0]=4 6496 B10R1.61 CN1CCCC[C@@H]1C(=O)[13CH3] 1458a_100000767060_200025704644 [0,1,0,1,0,0|2,0,0]=4 6497 B10R1.61 [13CH3]C(=O)C1CCCCC1O 1458a_100011803323_200025704644 [0,1,0,1,0,0|2,0,0]=4 6498 B10R1.64 CC(=O)NC1CCSC1=O 11a_100000184058_100015343762 [0,1,0,1,0,0|1,0,1]=4 6499 B10R1.64 CC(=O)NC1CCSC1=O 1626a_100000184058_100015343762 [0,1,0,1,0,0|1,0,1]=4 6500 B10R1.64 CC(=O)NC1CCSC1=O 240690a_100000184058_100015343762 [0,1,0,1,0,0|1,0,1]=4 6501 B10R1.64 CC(=O)NC1CCSC1=O 527a_100000184058_100103153847 [0,1,0,1,0,0|1,0,1]=4 6502 B10R1.64 CC(=O)N[C@H]1CCC[C@@H]1O 11a_100000748460_100015343762 [0,1,0,1,0,0|2,0,0]=4 6503 B10R1.64 CC(=O)N[C@H]1CCC[C@@H]1O 240690a_100000748460_100015343762 [0,1,0,1,0,0|2,0,0]=4 6504 B10R1.64 CC(=O)N[C@H]1COC[C@@H]1O 11a_100015191717_100015343762 [0,1,0,1,0,0|1,1,0]=4 6505 B10R1.64 CC(=O)N[C@H]1COC[C@@H]1O 240690a_100015191717_100015343762 [0,1,0,1,0,0|1,1,0]=4 6506 B10R1.64 CC(=O)N[C@H]1COC[C@@H]1O 527a_100015191717_100103153847 [0,1,0,1,0,0|1,1,0]=4 6507 B10R1.66 C=C(C)CCN1CCSC1 2230a_100011215254_100000730704 [0,1,0,1,0,0|2,0,0]=4 6508 B10R1.66 C=C(C)CCN1CCSC1 269982a_100011215254_100000730704 [0,1,0,1,0,0|2,0,0]=4 6509 B10R1.66 C=C(C)COC1CCCC1 34a_100000210245_100000179811 [0,1,0,1,0,0|2,0,0]=4 6510 B10R1.66 C=C(C)COC1CCCC1 34a_100000210269_100000748629 [0,1,0,1,0,0|2,0,0]=4 6511 B10R1.66 C=C(C)COC1CCCC1 7a_100000210269_100000748629 [0,1,0,1,0,0|2,0,0]=4 6512 B10R1.66 C=C(C)COC1CCOC1 34a_100000210245_100000690089 [0,1,0,1,0,0|1,1,0]=4 6513 B10R1.66 C=C(C)COC1CCSC1 7a_100011232664_100000748629 [0,1,0,1,0,0|1,0,0]=3 6514 B10R1.66 C=C(C)CO[C@H]1CCOC1 34a_100000717292_100000748629 [0,1,0,1,0,0|1,1,0]=4 6515 B10R1.66 C=C(F)COC1CCSC1 7a_100011232664_100000042424 [0,1,0,1,0,0|1,0,1]=4 6516 B10R1.66 CC(=CCN1CCSC1)C 2230a_100011215254_100000761012 [0,1,0,1,0,0|2,0,0]=4 6517 B10R1.66 CC(=CCN1CCSC1)C 269982a_100011215254_100000761012 [0,1,0,1,0,0|2,0,0]=4 6518 B10R1.66 CC(=O)CCC1CCCC1 1458a_100000070787_100000760354 [0,1,0,1,0,0|2,0,0]=4 6519 B10R1.66 CC(=O)CCC1CCCC1 1458a_100000211120_200000210301 [0,1,0,1,0,0|2,0,0]=4 6520 B10R1.66 CC(=O)CCC1CCCO1 1458a_100011247709_200000210301 [0,1,0,1,0,0|2,0,0]=4 6521 B10R1.66 CC(=O)CCN1CCCC1 1458a_100000070787_100000004467 [0,1,0,1,0,0|2,0,0]=4 6522 B10R1.66 CC(=O)CCN1CCCC1 1458a_100000738983_200000210301 [0,1,0,1,0,0|2,0,0]=4 6523 B10R1.66 CC(=O)CCN1CCCC1 269982a_100000188435_100000053229 [0,1,0,1,0,0|2,0,0]=4 6524 B10R1.66 CC(=O)CCN1CCSC1 269982a_100011215254_100000053229 [0,1,0,1,0,0|1,0,0]=3 6525 B10R1.66 CC(=O)COC1CCCC1 1458a_100000741352_200000210301 [0,1,0,1,0,0|1,0,0]=3 6526 B10R1.66 CC(=O)COC1CCCC1 34a_100000211253_100000179811 [0,1,0,1,0,0|1,0,0]=3 6527 B10R1.66 CC(=O)COC1CCOC1 34a_100000211253_100000690089 [0,1,0,1,0,0|0,1,0]=3 6528 B10R1.66 CC(=O)NCC1CCCC1 11a_100000737975_100015343762 [0,1,0,1,0,0|2,0,0]=4 6529 B10R1.66 CC(=O)NCC1CCCC1 1626a_100000737975_100015343762 [0,1,0,1,0,0|2,0,0]=4 6530 B10R1.66 CC(=O)NCC1CCCC1 240690a_100000737975_100015343762 [0,1,0,1,0,0|2,0,0]=4 6531 B10R1.66 CC(=O)NCC1CCCC1 527a_100000737975_100103153847 [0,1,0,1,0,0|2,0,0]=4 6532 B10R1.66 CC(=O)NCC1CCOC1 11a_100000737293_100015343762 [0,1,0,1,0,0|1,1,0]=4 6533 B10R1.66 CC(=O)NCC1CCOC1 1626a_100000737293_100015343762 [0,1,0,1,0,0|1,1,0]=4 6534 B10R1.66 CC(=O)NCC1CCOC1 240690a_100000737293_100015343762 [0,1,0,1,0,0|1,1,0]=4 6535 B10R1.66 CC(=O)NCC1CCOC1 527a_100000737293_100103153847 [0,1,0,1,0,0|1,1,0]=4 6536 B10R1.66 CC(=O)NC[C@@H]1CCCO1 11a_100020590478_100015343762 [0,1,0,1,0,0|2,0,0]=4 6537 B10R1.66 CC(=O)NC[C@@H]1CCCO1 1626a_100020590478_100015343762 [0,1,0,1,0,0|2,0,0]=4 6538 B10R1.66 CC(=O)NC[C@@H]1CCCO1 240690a_100020590478_100015343762 [0,1,0,1,0,0|2,0,0]=4 6539 B10R1.66 CC(=O)NC[C@@H]1CCCO1 527a_100020590478_100103153847 [0,1,0,1,0,0|2,0,0]=4 6540 B10R1.66 CC(=O)NN=C1CCSC1 4a_100000189765_100000212027 [0,1,0,1,0,0|1,0,1]=4 6541 B10R1.66 CC(=O)NNC1CCCC1 22a_100000737850_100000070787 [0,1,0,1,0,0|2,0,0]=4 6542 B10R1.66 CC(=O)NNC1CCOC1 22a_100000690549_100000070787 [0,1,0,1,0,0|1,1,0]=4 6543 B10R1.66 CC(=O)NNC1CCSC1 22a_200000731317_100000070787 [0,1,0,1,0,0|1,0,0]=3 6544 B10R1.66 CC(=O)OCN1CC=CC1 269982a_100015195280_100000076356 [0,1,0,1,0,0|1,0,1]=4 6545 B10R1.66 CC(=O)OCN1CCCC1 269982a_100000188435_100000076356 [0,1,0,1,0,0|1,0,0]=3 6546 B10R1.66 CC(=O)OCN1CCSC1 269982a_100011215254_100000076356 [0,1,0,1,0,0|0,0,0]=2 6547 B10R1.66 CC(C)COC1CCSC1 7a_100011232664_100000210760 [0,1,0,1,0,0|1,0,1]=4 6548 B10R1.66 CC(C)OCN1CCSC1 2230a_100011215254_100000709892 [0,1,0,1,0,0|1,0,1]=4 6549 B10R1.66 CC(C)OCN1CCSC1 269982a_100011215254_100000709892 [0,1,0,1,0,0|1,0,1]=4 6550 B10R1.66 CC(O)COC1CCSC1 7a_100011232664_100011218427 [0,1,0,1,0,0|0,0,2]=4 6551 B10R1.66 C[C@@H](O)COC1CCSC1 7a_100011232664_100009817552 [0,1,0,1,0,0|0,0,2]=4 6552 B10R1.66 NC(=O)CCN1CCSC1 2230a_100011215254_100000744528 [0,1,0,1,0,0|2,0,0]=4 6553 B10R1.66 NC(=O)CCN1CCSC1 269982a_100011215254_100000744528 [0,1,0,1,0,0|2,0,0]=4 6554 B10R1.66 NC(=O)COC1CCCC1 34a_100000210269_100000187820 [0,1,0,1,0,0|2,0,0]=4 6555 B10R1.66 NC(=O)COC1CCCC1 7a_100000210269_100000187820 [0,1,0,1,0,0|2,0,0]=4 6556 B10R1.66 NC(=O)COC1CCSC1 7a_100011232664_100000187820 [0,1,0,1,0,0|1,0,0]=3 6557 B10R1.66 NC(=O)CO[C@H]1CCOC1 34a_100000717292_100000187820 [0,1,0,1,0,0|1,1,0]=4 6558 B10R1.66 O=C([O-])COC1CCCC1 34a_100000210269_100020667443 [0,1,0,1,0,0|2,0,0]=4 6559 B10R1.66 O=C([O-])CO[C@H]1CCOC1 34a_100000717292_100020667443 [0,1,0,1,0,0|1,1,0]=4 6560 B10R1.66 [13CH3]C(=O)CCC1CCCC1 1458a_100000211120_200025704644 [0,1,0,1,0,0|2,0,0]=4 6561 B10R1.66 [13CH3]C(=O)CCC1CCCO1 1458a_100011247709_200025704644 [0,1,0,1,0,0|2,0,0]=4 6562 B10R1.66 [13CH3]C(=O)CCN1CCCC1 1458a_100000738983_200025704644 [0,1,0,1,0,0|2,0,0]=4 6563 B10R1.66 [13CH3]C(=O)COC1CCCC1 1458a_100000741352_200025704644 [0,1,0,1,0,0|1,0,0]=3 6564 B10R1.86 COCC1CCN1C(=O)C 11a_100015195929_100015343762 [0,1,0,1,0,0|1,1,0]=4 6565 B10R1.86 COCC1CCN1C(=O)C 1626a_100015195929_100015343762 [0,1,0,1,0,0|1,1,0]=4 6566 B10R1.86 COCC1CCN1C(=O)C 240690a_100015195929_100015343762 [0,1,0,1,0,0|1,1,0]=4 6567 B10R1.86 COCC1CCN1C(=O)C 527a_100015195929_100103153847 [0,1,0,1,0,0|1,1,0]=4 6568 B10R1.86 CSCN1CCC1C(=O)O 269956a_100000021838_100011218213 [0,1,0,1,0,0|2,0,0]=4 6569 B10R1.126 C=C(C)CCSCC1CS1 62a_100000031435_100000730704 [0,1,0,1,0,0|2,0,0]=4 6570 B10R1.126 C=C(C)CCSCC1CS1 62a_100000730704_100000031435 [0,1,0,1,0,0|2,0,0]=4 6571 B10R1.126 C=C(C)COCCC1CC1 34a_100000210245_100000694398 [0,1,0,1,0,0|2,0,0]=4 6572 B10R1.126 C=C(C)COCCC1CC1 34a_100000754188_100000748629 [0,1,0,1,0,0|2,0,0]=4 6573 B10R1.126 C=C(C)COCCC1CC1 7a_100000754188_100000748629 [0,1,0,1,0,0|2,0,0]=4 6574 B10R1.126 C=C(C)COCCC1CO1 34a_100000210245_100000732470 [0,1,0,1,0,0|1,1,0]=4 6575 B10R1.126 C=C(C)COCC[C@@H]1CO1 34a_100009820653_100000748629 [0,1,0,1,0,0|1,1,0]=4 6576 B10R1.126 CC(=CCSCC1CS1)C 62a_100000031435_100000761012 [0,1,0,1,0,0|2,0,0]=4 6577 B10R1.126 CC(=CCSCC1CS1)C 62a_100000761012_100000031435 [0,1,0,1,0,0|2,0,0]=4 6578 B10R1.126 CC(=O)CCCNC1CC1 34a_100000212008_100000685027 [0,1,0,1,0,0|2,0,0]=4 6579 B10R1.126 CC(=O)CCCOC1CC1 34a_100000759063_100000211595 [0,1,0,1,0,0|2,0,0]=4 6580 B10R1.126 CC(=O)CCCSC1CC1 62a_100011215641_100000211595 [0,1,0,1,0,0|2,0,0]=4 6581 B10R1.126 CC(=O)CCOCC1CC1 34a_100000759926_100000742324 [0,1,0,1,0,0|2,0,0]=4 6582 B10R1.126 CC(=O)CCOCC1CC1 7a_100000759926_100000742324 [0,1,0,1,0,0|2,0,0]=4 6583 B10R1.126 CC(=O)CCOCC1CO1 34a_100000759926_102125554688 [0,1,0,1,0,0|1,1,0]=4 6584 B10R1.126 CC(=O)CCOCC1CO1 7a_100000759926_102125554688 [0,1,0,1,0,0|1,1,0]=4 6585 B10R1.126 CC(=O)CCOCC1CS1 7a_100000759926_100000031435 [0,1,0,1,0,0|1,0,0]=3 6586 B10R1.126 CC(=O)CCOC[C@@H]1CO1 7a_100000759926_100000745022 [0,1,0,1,0,0|1,1,0]=4 6587 B10R1.126 CC(=O)CCSCC1CC1 62a_100000053229_100000742324 [0,1,0,1,0,0|2,0,0]=4 6588 B10R1.126 CC(=O)CCSCC1CC1 62a_100000756562_100000053229 [0,1,0,1,0,0|2,0,0]=4 6589 B10R1.126 CC(=O)CCSCC1CO1 62a_100000053229_102125554688 [0,1,0,1,0,0|1,1,0]=4 6590 B10R1.126 CC(=O)CCSCC1CO1 62a_102125554688_100000053229 [0,1,0,1,0,0|1,1,0]=4 6591 B10R1.126 CC(=O)CCSCC1CS1 62a_100000031435_100000053229 [0,1,0,1,0,0|1,0,0]=3 6592 B10R1.126 CC(=O)CCSCC1CS1 62a_100000053229_100000031435 [0,1,0,1,0,0|1,0,0]=3 6593 B10R1.126 CC(=O)CCSC[C@@H]1CO1 62a_100000053229_100000745022 [0,1,0,1,0,0|1,1,0]=4 6594 B10R1.126 CC(=O)CCSC[C@@H]1CO1 62a_100000745022_100000053229 [0,1,0,1,0,0|1,1,0]=4 6595 B10R1.126 CC(=O)COCCC1CC1 34a_100000211253_100000694398 [0,1,0,1,0,0|1,0,0]=3 6596 B10R1.126 CC(=O)COCCC1CO1 34a_100000211253_100000732470 [0,1,0,1,0,0|0,1,0]=3 6597 B10R1.126 CC(=O)NCCOC1CC1 34a_100000158858_100000211595 [0,1,0,1,0,0|2,0,0]=4 6598 B10R1.126 CC(=O)NCCSC1CC1 62a_100000189650_100000211595 [0,1,0,1,0,0|2,0,0]=4 6599 B10R1.126 CC(=O)OCCNC1CC1 34a_100000212008_100009814007 [0,1,0,1,0,0|1,0,0]=3 6600 B10R1.126 CC(=O)OCCSC1CC1 62a_100009814007_100000211595 [0,1,0,1,0,0|1,0,0]=3 6601 B10R1.126 CC(=O)OCNCC1CC1 34a_100000735609_100009813279 [0,1,0,1,0,0|1,0,0]=3 6602 B10R1.126 CC(=O)OCOCC1CC1 34a_100000211283_100009813279 [0,1,0,1,0,0|1,0,0]=3 6603 B10R1.126 CC(=O)OCOC[C@@H]1CO1 34a_100000757423_100009813279 [0,1,0,1,0,0|0,1,0]=3 6604 B10R1.126 CC(=O)OCSCC1CC1 62a_100000076356_100000742324 [0,1,0,1,0,0|1,0,0]=3 6605 B10R1.126 CC(=O)OCSCC1CC1 62a_100000756562_100000076356 [0,1,0,1,0,0|1,0,0]=3 6606 B10R1.126 CC(=O)OCSCC1CO1 62a_100000076356_102125554688 [0,1,0,1,0,0|0,1,0]=3 6607 B10R1.126 CC(=O)OCSCC1CO1 62a_102125554688_100000076356 [0,1,0,1,0,0|0,1,0]=3 6608 B10R1.126 CC(=O)OCSCC1CS1 62a_100000031435_100000076356 [0,1,0,1,0,0|0,0,0]=2 6609 B10R1.126 CC(=O)OCSCC1CS1 62a_100000076356_100000031435 [0,1,0,1,0,0|0,0,0]=2 6610 B10R1.126 CC(=O)OCSC[C@@H]1CO1 62a_100000076356_100000745022 [0,1,0,1,0,0|0,1,0]=3 6611 B10R1.126 CC(=O)OCSC[C@@H]1CO1 62a_100000745022_100000076356 [0,1,0,1,0,0|0,1,0]=3 6612 B10R1.126 CC(C)OCSCC1CS1 62a_100000031435_100000709892 [0,1,0,1,0,0|1,0,1]=4 6613 B10R1.126 CC(C)OCSCC1CS1 62a_100000709892_100000031435 [0,1,0,1,0,0|1,0,1]=4 6614 B10R1.126 NC(=O)CCOCC1CS1 7a_100000757172_100000031435 [0,1,0,1,0,0|2,0,0]=4 6615 B10R1.126 NC(=O)CCSCC1CS1 62a_100000031435_100000744528 [0,1,0,1,0,0|2,0,0]=4 6616 B10R1.126 NC(=O)CCSCC1CS1 62a_100000744528_100000031435 [0,1,0,1,0,0|2,0,0]=4 6617 B10R1.126 NC(=O)COCCC1CC1 34a_100000754188_100000187820 [0,1,0,1,0,0|2,0,0]=4 6618 B10R1.126 NC(=O)COCCC1CC1 7a_100000754188_100000187820 [0,1,0,1,0,0|2,0,0]=4 6619 B10R1.126 NC(=O)COCC[C@@H]1CO1 34a_100009820653_100000187820 [0,1,0,1,0,0|1,1,0]=4 6620 B10R1.126 NC(=O)OCCNC1CC1 34a_100000212008_200011214921 [0,1,0,1,0,0|2,0,0]=4 6621 B10R1.126 NC(=O)OCCSC1CC1 62a_200011214921_100000211595 [0,1,0,1,0,0|2,0,0]=4 6622 B10R1.126 O=C(O)CONCC1CS1 269956a_100000106656_100000031435 [0,1,0,1,0,0|2,0,0]=4 6623 B10R1.126 O=C([O-])COCCC1CC1 34a_100000754188_100020667443 [0,1,0,1,0,0|2,0,0]=4 6624 B10R1.126 O=C([O-])COCC[C@@H]1CO1 34a_100009820653_100020667443 [0,1,0,1,0,0|1,1,0]=4 6625 B10R1.162 CCN1CCCNC(=O)C1 2230a_100015190381_100000210202 [0,1,0,1,0,0|2,0,0]=4 6626 B10R1.177 CCSCCCOC1CC1 34a_100011216438_100000211595 [0,1,0,1,0,0|1,0,1]=4 6627 B10R1.177 CSCCCCOC1CC1 34a_100011217163_100000211595 [0,1,0,1,0,0|1,0,1]=4 6628 B10R1.177 CSCCCOCC1CC1 34a_100000690336_100000742324 [0,1,0,1,0,0|1,0,1]=4 6629 B10R1.177 CSCCCOCC1CC1 7a_100000690336_100000742324 [0,1,0,1,0,0|1,0,1]=4 6630 B10R1.177 CSCCCOCC1CO1 34a_100000690336_102125554688 [0,1,0,1,0,0|0,0,2]=4 6631 B10R1.177 CSCCCOCC1CO1 7a_100000690336_102125554688 [0,1,0,1,0,0|0,0,2]=4 6632 B10R1.177 CSCCCOCC1CS1 7a_100000690336_100000031435 [0,1,0,1,0,0|0,1,1]=4 6633 B10R1.177 CSCCCOC[C@@H]1CO1 7a_100000690336_100000745022 [0,1,0,1,0,0|0,0,2]=4 6634 B10R1.348 CC(=O)C1CCCCCC1 1458a_100000070787_100011217769 [0,1,0,1,0,0|2,0,0]=4 6635 B10R1.348 CC(=O)C1CCCCCC1 1458a_100000749507_200000210301 [0,1,0,1,0,0|2,0,0]=4 6636 B10R1.348 CC(=O)N1CCCCCC1 11a_100000185865_100015343762 [0,1,0,1,0,0|2,0,0]=4 6637 B10R1.348 CC(=O)N1CCCCCC1 1626a_100000185865_100015343762 [0,1,0,1,0,0|2,0,0]=4 6638 B10R1.348 CC(=O)N1CCCCCC1 240690a_100000185865_100015343762 [0,1,0,1,0,0|2,0,0]=4 6639 B10R1.348 CC(=O)N1CCCCCC1 527a_100000185865_100103153847 [0,1,0,1,0,0|2,0,0]=4 6640 B10R1.348 CC(=O)N1CCCOCC1 11a_100000685342_100015343762 [0,1,0,1,0,0|1,1,0]=4 6641 B10R1.348 CC(=O)N1CCCOCC1 1626a_100000685342_100015343762 [0,1,0,1,0,0|1,1,0]=4 6642 B10R1.348 CC(=O)N1CCCOCC1 240690a_100000685342_100015343762 [0,1,0,1,0,0|1,1,0]=4 6643 B10R1.348 CC(=O)N1CCCOCC1 527a_100000685342_100103153847 [0,1,0,1,0,0|1,1,0]=4 6644 B10R1.348 [13CH3]C(=O)C1CCCCCC1 1458a_100000749507_200025704644 [0,1,0,1,0,0|2,0,0]=4 6645 B10R1.375 CSCOCC1OC1(C)C 34a_200010283642_100011218213 [0,1,0,1,0,0|1,0,1]=4 6646 B10R1.192 CC(=O)N1C(CCC1C)C 11a_100000687148_100015343762 [0,1,0,1,0,0|2,0,0]=4 6647 B10R1.192 CC(=O)N1C(CCC1C)C 240690a_100000687148_100015343762 [0,1,0,1,0,0|2,0,0]=4 6648 B10R1.192 CC(=O)N1C(CCC1C)C 527a_100000687148_100103153847 [0,1,0,1,0,0|2,0,0]=4 6649 B10R1.266 CC(=O)NC(C)C1CCC1 11a_100016994624_100015343762 [0,1,0,1,0,0|2,0,0]=4 6650 B10R1.266 CC(=O)NC(C)C1CCC1 1626a_100016994624_100015343762 [0,1,0,1,0,0|2,0,0]=4 6651 B10R1.266 CC(=O)NC(C)C1CCC1 240690a_100016994624_100015343762 [0,1,0,1,0,0|2,0,0]=4 6652 B10R1.266 CC(=O)NC(C)C1CCC1 527a_100016994624_100103153847 [0,1,0,1,0,0|2,0,0]=4 6653 B10R1.266 CC(=O)OC(C)N1CCC1 269982a_100000754969_100009818208 [0,1,0,1,0,0|2,0,0]=4 6654 B10R1.268 CC(=O)OC(C)SC1CC1 62a_100009818208_100000211595 [0,1,0,1,0,0|2,0,0]=4 6655 B10R1.370 CC(=O)NC1(CCOC1)C 11a_100000693475_100015343762 [0,1,0,1,0,0|1,1,0]=4 6656 B10R1.370 CC(=O)NC1(CCOC1)C 1626a_100000693475_100015343762 [0,1,0,1,0,0|1,1,0]=4 6657 B10R1.370 CC(=O)NC1(CCOC1)C 240690a_100000693475_100015343762 [0,1,0,1,0,0|1,1,0]=4 6658 B10R1.370 CC(=O)NC1(CCOC1)C 527a_100000693475_100103153847 [0,1,0,1,0,0|1,1,0]=4 6659 B10R1.95 CC1(OCC(O1)CS[13CH3])C 62a_100000198056_200025704644 [0,1,0,1,0,0|0,0,2]=4 6660 B10R1.95 CC1(OCC(O1)CS[13CH3])C 62a_200025704644_100000198056 [0,1,0,1,0,0|0,0,2]=4 6661 B10R1.95 CC1(OC[C@@H](O1)CS[13CH3])C 62a_100015422573_200025704644 [0,1,0,1,0,0|0,0,2]=4 6662 B10R1.95 CC1(OC[C@@H](O1)CS[13CH3])C 62a_200025704644_100015422573 [0,1,0,1,0,0|0,0,2]=4 6663 B10R1.95 CSCC1COC(O1)(C)C 62a_100000198056_200000210301 [0,1,0,1,0,0|0,0,2]=4 6664 B10R1.95 CSCC1COC(O1)(C)C 62a_200000210301_100000198056 [0,1,0,1,0,0|0,0,2]=4 6665 B10R1.95 CSC[C@H]1COC(O1)(C)C 62a_100015422573_200000210301 [0,1,0,1,0,0|0,0,2]=4 6666 B10R1.95 CSC[C@H]1COC(O1)(C)C 62a_200000210301_100015422573 [0,1,0,1,0,0|0,0,2]=4 6667 B10R1.1 COCC1CCC(=O)CC1 34a_100000062911_200000210301 [0,1,0,1,0,0|1,1,0]=4 6668 B10R1.1 [13CH3]OCC1CCC(=O)CC1 34a_100000062911_200025704644 [0,1,0,1,0,0|1,1,0]=4 6669 B10R1.15 CCC(=O)C1CCCCC1 1458a_100000210414_100000210327 [0,1,0,1,0,0|2,0,0]=4 6670 B10R1.15 CCC(=O)C1CCCCC1 1458a_100000210647_100000210202 [0,1,0,1,0,0|2,0,0]=4 6671 B10R1.15 CCC(=O)C1CCCOC1 1458a_100000210414_100000693364 [0,1,0,1,0,0|1,1,0]=4 6672 B10R1.15 CCC(=O)C1CCCOC1 1458a_100000741522_100000210202 [0,1,0,1,0,0|1,1,0]=4 6673 B10R1.15 CCC(=O)N1CCCOC1 11a_100000131196_100000210414 [0,1,0,1,0,0|1,1,0]=4 6674 B10R1.15 CCC(=O)N1CCCOC1 240690a_100000131196_100000210414 [0,1,0,1,0,0|1,1,0]=4 6675 B10R1.15 CNC(=O)C1CCCCC1 11a_106832991635_100000210647 [0,1,0,1,0,0|2,0,0]=4 6676 B10R1.15 CNC(=O)C1CCCCC1 1626a_100102657272_100000210647 [0,1,0,1,0,0|2,0,0]=4 6677 B10R1.15 CNC(=O)C1CCCCC1 240690a_100102657272_100000210647 [0,1,0,1,0,0|2,0,0]=4 6678 B10R1.15 CNC(=O)C1CCCCC1 527a_100102657272_100000210647 [0,1,0,1,0,0|2,0,0]=4 6679 B10R1.15 CNC(=O)C1CCCOC1 11a_106832991635_100000741522 [0,1,0,1,0,0|1,1,0]=4 6680 B10R1.15 CNC(=O)C1CCCOC1 1626a_100102657272_100000741522 [0,1,0,1,0,0|1,1,0]=4 6681 B10R1.15 CNC(=O)C1CCCOC1 240690a_100102657272_100000741522 [0,1,0,1,0,0|1,1,0]=4 6682 B10R1.15 CNC(=O)C1CCCOC1 527a_100102657272_100000741522 [0,1,0,1,0,0|1,1,0]=4 6683 B10R1.15 CNC(=O)N1CCCOC1 2708a_100102657272_100000131196 [0,1,0,1,0,0|1,1,0]=4 6684 B10R1.15 CNC(=O)N1CCCOC1 273464a_100102657272_100000131196 [0,1,0,1,0,0|1,1,0]=4 6685 B10R1.15 O=C(CF)C1CCCCC1 1458a_100000210647_100015361967 [0,1,0,1,0,0|2,0,0]=4 6686 B10R1.15 O=C(CF)C1CCCOC1 1458a_100000741522_100015361967 [0,1,0,1,0,0|1,1,0]=4 6687 B10R1.15 O=C(CO)C1CCCCC1 1458a_100000210174_100000210327 [0,1,0,1,0,0|2,0,0]=4 6688 B10R1.15 O=C(CO)C1CCCOC1 1458a_100000210174_100000693364 [0,1,0,1,0,0|1,1,0]=4 6689 B10R1.15 O=C(CO)N1CCCOC1 240690a_100000131196_100000210174 [0,1,0,1,0,0|1,1,0]=4 6690 B10R1.27 CC(C#N)OC1CCSC1 7a_100011232664_100000703298 [0,1,0,1,0,0|1,0,1]=4 6691 B10R1.27 CC(CO)OC1CCSC1 7a_100011232664_100012180447 [0,1,0,1,0,0|0,0,2]=4 6692 B10R1.27 CCC(=O)CC1CCCC1 1458a_100000210414_100000740388 [0,1,0,1,0,0|2,0,0]=4 6693 B10R1.27 CCC(=O)CC1CCCC1 1458a_100000210891_100000210202 [0,1,0,1,0,0|2,0,0]=4 6694 B10R1.27 CCC(=O)CC1CCOC1 1458a_100000210414_100000702531 [0,1,0,1,0,0|1,1,0]=4 6695 B10R1.27 CCC(=O)CC1CCOC1 1458a_100011218419_100000210202 [0,1,0,1,0,0|1,1,0]=4 6696 B10R1.27 CCC(=O)CN1CCSC1 269982a_100011215254_100000747405 [0,1,0,1,0,0|2,0,0]=4 6697 B10R1.27 CCC(=O)NC1CCCC1 11a_100000211070_100000210414 [0,1,0,1,0,0|2,0,0]=4 6698 B10R1.27 CCC(=O)NC1CCCC1 1626a_100000211070_100000210414 [0,1,0,1,0,0|2,0,0]=4 6699 B10R1.27 CCC(=O)NC1CCCC1 240690a_100000211070_100000210414 [0,1,0,1,0,0|2,0,0]=4 6700 B10R1.27 CCC(=O)NC1CCCC1 527a_100000211070_100000210414 [0,1,0,1,0,0|2,0,0]=4 6701 B10R1.27 CCC(=O)N[C@@H]1CCOC1 240690a_200015188469_100000210414 [0,1,0,1,0,0|1,1,0]=4 6702 B10R1.27 CCC(=O)N[C@@H]1CCOC1 527a_200015188469_100000210414 [0,1,0,1,0,0|1,1,0]=4 6703 B10R1.27 CCC(=O)N[C@H]1CCOC1 11a_100015188467_100000210414 [0,1,0,1,0,0|1,1,0]=4 6704 B10R1.27 CCC(=O)N[C@H]1CCOC1 1626a_100015188467_100000210414 [0,1,0,1,0,0|1,1,0]=4 6705 B10R1.27 CCC(=O)N[C@H]1CCOC1 240690a_100015188467_100000210414 [0,1,0,1,0,0|1,1,0]=4 6706 B10R1.27 CCC(=O)N[C@H]1CCOC1 527a_100015188467_100000210414 [0,1,0,1,0,0|1,1,0]=4 6707 B10R1.27 CCC(C)OC1CCSC1 7a_100011232664_100000758301 [0,1,0,1,0,0|1,0,1]=4 6708 B10R1.27 CNC(=O)CC1CCCC1 11a_106832991635_100000210891 [0,1,0,1,0,0|2,0,0]=4 6709 B10R1.27 CNC(=O)CC1CCCC1 1626a_100102657272_100000210891 [0,1,0,1,0,0|2,0,0]=4 6710 B10R1.27 CNC(=O)CC1CCCC1 240690a_100102657272_100000210891 [0,1,0,1,0,0|2,0,0]=4 6711 B10R1.27 CNC(=O)CC1CCCC1 527a_100102657272_100000210891 [0,1,0,1,0,0|2,0,0]=4 6712 B10R1.27 CNC(=O)CC1CCOC1 11a_106832991635_100011218419 [0,1,0,1,0,0|1,1,0]=4 6713 B10R1.27 CNC(=O)CC1CCOC1 1626a_100102657272_100011218419 [0,1,0,1,0,0|1,1,0]=4 6714 B10R1.27 CNC(=O)CC1CCOC1 240690a_100102657272_100011218419 [0,1,0,1,0,0|1,1,0]=4 6715 B10R1.27 CNC(=O)CC1CCOC1 527a_100102657272_100011218419 [0,1,0,1,0,0|1,1,0]=4 6716 B10R1.27 CNC(=O)CN1CCSC1 2230a_100011215254_100000183359 [0,1,0,1,0,0|2,0,0]=4 6717 B10R1.27 CNC(=O)CN1CCSC1 269982a_100011215254_100000183359 [0,1,0,1,0,0|2,0,0]=4 6718 B10R1.27 CNC(=O)NC1CCCC1 2708a_100000211070_106832991635 [0,1,0,1,0,0|2,0,0]=4 6719 B10R1.27 CNC(=O)NC1CCCC1 2708a_100102657272_100000211070 [0,1,0,1,0,0|2,0,0]=4 6720 B10R1.27 CNC(=O)NC1CCCC1 273464a_100000211070_100102657272 [0,1,0,1,0,0|2,0,0]=4 6721 B10R1.27 CNC(=O)NC1CCCC1 273464a_100102657272_100000211070 [0,1,0,1,0,0|2,0,0]=4 6722 B10R1.27 CNC(=O)NC1CCCC1 512a_100000211070_100102657272 [0,1,0,1,0,0|2,0,0]=4 6723 B10R1.27 CNC(=O)NC1CCCC1 512a_106832991638_100000211070 [0,1,0,1,0,0|2,0,0]=4 6724 B10R1.27 CNC(=O)N[C@@H]1CCOC1 2708a_100102657272_200015188469 [0,1,0,1,0,0|1,1,0]=4 6725 B10R1.27 CNC(=O)N[C@@H]1CCOC1 2708a_200015188469_106832991635 [0,1,0,1,0,0|1,1,0]=4 6726 B10R1.27 CNC(=O)N[C@@H]1CCOC1 273464a_100102657272_200015188469 [0,1,0,1,0,0|1,1,0]=4 6727 B10R1.27 CNC(=O)N[C@@H]1CCOC1 273464a_200015188469_100102657272 [0,1,0,1,0,0|1,1,0]=4 6728 B10R1.27 CNC(=O)N[C@@H]1CCOC1 512a_106832991638_200015188469 [0,1,0,1,0,0|1,1,0]=4 6729 B10R1.27 CNC(=O)N[C@H]1CCOC1 2708a_100015188467_106832991635 [0,1,0,1,0,0|1,1,0]=4 6730 B10R1.27 CNC(=O)N[C@H]1CCOC1 2708a_100102657272_100015188467 [0,1,0,1,0,0|1,1,0]=4 6731 B10R1.27 CNC(=O)N[C@H]1CCOC1 273464a_100015188467_100102657272 [0,1,0,1,0,0|1,1,0]=4 6732 B10R1.27 CNC(=O)N[C@H]1CCOC1 273464a_100102657272_100015188467 [0,1,0,1,0,0|1,1,0]=4 6733 B10R1.27 CNC(=O)N[C@H]1CCOC1 512a_100015188467_100102657272 [0,1,0,1,0,0|1,1,0]=4 6734 B10R1.27 CNC(=O)N[C@H]1CCOC1 512a_106832991638_100015188467 [0,1,0,1,0,0|1,1,0]=4 6735 B10R1.27 COC(=O)CN1CCSC1 2230a_100011215254_100000747449 [0,1,0,1,0,0|2,0,0]=4 6736 B10R1.27 COC(=O)CN1CCSC1 269982a_100011215254_100000747449 [0,1,0,1,0,0|2,0,0]=4 6737 B10R1.27 O=C(CF)CC1CCCC1 1458a_100000210891_100015361967 [0,1,0,1,0,0|2,0,0]=4 6738 B10R1.27 O=C(CF)CC1CCOC1 1458a_100011218419_100015361967 [0,1,0,1,0,0|1,1,0]=4 6739 B10R1.27 O=C(CO)CC1CCCC1 1458a_100000210174_100000740388 [0,1,0,1,0,0|2,0,0]=4 6740 B10R1.27 O=C(CO)CC1CCOC1 1458a_100000210174_100000702531 [0,1,0,1,0,0|1,1,0]=4 6741 B10R1.27 O=C(CO)NC1CCCC1 240690a_100000211070_100000210174 [0,1,0,1,0,0|2,0,0]=4 6742 B10R1.27 O=C(CO)NC1CCCC1 527a_100000211070_100000210174 [0,1,0,1,0,0|2,0,0]=4 6743 B10R1.27 O=C(CO)N[C@@H]1CCOC1 240690a_200015188469_100000210174 [0,1,0,1,0,0|1,1,0]=4 6744 B10R1.27 O=C(CO)N[C@@H]1CCOC1 527a_200015188469_100000210174 [0,1,0,1,0,0|1,1,0]=4 6745 B10R1.27 O=C(CO)N[C@H]1CCOC1 240690a_100015188467_100000210174 [0,1,0,1,0,0|1,1,0]=4 6746 B10R1.27 O=C(CO)N[C@H]1CCOC1 527a_100015188467_100000210174 [0,1,0,1,0,0|1,1,0]=4 6747 B10R1.37 CSCCOC1CCC1=O 34a_100000230434_100009892977 [0,1,0,1,0,0|2,0,0]=4 6748 B10R1.37 CSCCOC1CCC1=O 7a_100000230434_100009892977 [0,1,0,1,0,0|2,0,0]=4 6749 B10R1.37 CSCCSC1CCC1=O 62a_100000212216_100009892977 [0,1,0,1,0,0|2,0,0]=4 6750 B10R1.37 CSCCSC1CCC1=O 62a_100009892977_100000751147 [0,1,0,1,0,0|2,0,0]=4 6751 B10R1.57 CSCCCOC1CCC1 34a_100000690336_100000749161 [0,1,0,1,0,0|1,0,1]=4 6752 B10R1.57 CSCCCOC1COC1 34a_100000690336_100009818527 [0,1,0,1,0,0|0,0,2]=4 6753 B10R1.57 CSCCCOC1COC1 7a_100000690336_100009818527 [0,1,0,1,0,0|0,0,2]=4 6754 B10R1.99 COC(=O)C1CN1CSC 2230a_200009830135_100011218213 [0,1,0,1,0,0|2,0,0]=4 6755 B10R1.149 CC1CCCC1C(=O)CF 1458a_100000690547_100015361967 [0,1,0,1,0,0|2,0,0]=4 6756 B10R1.149 CCC(=O)C1CCCC1C 1458a_100000690547_100000210202 [0,1,0,1,0,0|2,0,0]=4 6757 B10R1.149 CCC(=O)N1CCC[C@@H]1C 240690a_100020605311_100000210414 [0,1,0,1,0,0|2,0,0]=4 6758 B10R1.149 CCC(=O)N1CCC[C@@H]1C 527a_100020605311_100000210414 [0,1,0,1,0,0|2,0,0]=4 6759 B10R1.149 CCC(=O)N1CCC[C@H]1C 11a_100015189458_100000210414 [0,1,0,1,0,0|2,0,0]=4 6760 B10R1.149 CCC(=O)N1CCC[C@H]1C 240690a_100015189458_100000210414 [0,1,0,1,0,0|2,0,0]=4 6761 B10R1.149 CCC(=O)N1CCC[C@H]1C 527a_100015189458_100000210414 [0,1,0,1,0,0|2,0,0]=4 6762 B10R1.149 CCC(=O)[C@@H]1CCCN1C 1458a_100009816429_100000210202 [0,1,0,1,0,0|2,0,0]=4 6763 B10R1.149 CN1CCC[C@H]1C(=O)CF 1458a_100009816429_100015361967 [0,1,0,1,0,0|2,0,0]=4 6764 B10R1.149 CNC(=O)C1CCCC1C 11a_106832991635_100000690547 [0,1,0,1,0,0|2,0,0]=4 6765 B10R1.149 CNC(=O)C1CCCC1C 1626a_100102657272_100000690547 [0,1,0,1,0,0|2,0,0]=4 6766 B10R1.149 CNC(=O)C1CCCC1C 240690a_100102657272_100000690547 [0,1,0,1,0,0|2,0,0]=4 6767 B10R1.149 CNC(=O)C1CCCC1C 527a_100102657272_100000690547 [0,1,0,1,0,0|2,0,0]=4 6768 B10R1.149 CNC(=O)N1CCC[C@@H]1C 2708a_100102657272_100020605311 [0,1,0,1,0,0|2,0,0]=4 6769 B10R1.149 CNC(=O)N1CCC[C@@H]1C 273464a_100102657272_100020605311 [0,1,0,1,0,0|2,0,0]=4 6770 B10R1.149 CNC(=O)N1CCC[C@H]1C 2708a_100102657272_100015189458 [0,1,0,1,0,0|2,0,0]=4 6771 B10R1.149 CNC(=O)N1CCC[C@H]1C 273464a_100102657272_100015189458 [0,1,0,1,0,0|2,0,0]=4 6772 B10R1.149 CNC(=O)[C@@H]1CCCN1C 11a_106832991635_100009816429 [0,1,0,1,0,0|2,0,0]=4 6773 B10R1.149 CNC(=O)[C@@H]1CCCN1C 2230a_100015185040_200000210301 [0,1,0,1,0,0|2,0,0]=4 6774 B10R1.149 CNC(=O)[C@@H]1CCCN1C 240690a_100102657272_100009816429 [0,1,0,1,0,0|2,0,0]=4 6775 B10R1.149 CNC(=O)[C@@H]1CCCN1C 269982a_100015185040_200000210301 [0,1,0,1,0,0|2,0,0]=4 6776 B10R1.149 CNC(=O)[C@@H]1CCCN1C 34a_100015185040_200000210301 [0,1,0,1,0,0|2,0,0]=4 6777 B10R1.149 CNC(=O)[C@@H]1CCCN1C 527a_100102657272_100009816429 [0,1,0,1,0,0|2,0,0]=4 6778 B10R1.149 CNC(=O)[C@@H]1CCCN1[13CH3] 2230a_100015185040_200025704644 [0,1,0,1,0,0|2,0,0]=4 6779 B10R1.149 CNC(=O)[C@@H]1CCCN1[13CH3] 269982a_100015185040_200025704644 [0,1,0,1,0,0|2,0,0]=4 6780 B10R1.149 CNC(=O)[C@@H]1CCCN1[13CH3] 34a_100015185040_200025704644 [0,1,0,1,0,0|2,0,0]=4 6781 B10R1.149 COC(=O)[C@@H]1CCCN1C 2230a_100000752040_200000210301 [0,1,0,1,0,0|2,0,0]=4 6782 B10R1.149 COC(=O)[C@@H]1CCCN1C 269982a_100000752040_200000210301 [0,1,0,1,0,0|2,0,0]=4 6783 B10R1.149 COC(=O)[C@@H]1CCCN1[13CH3] 2230a_100000752040_200025704644 [0,1,0,1,0,0|2,0,0]=4 6784 B10R1.149 COC(=O)[C@@H]1CCCN1[13CH3] 269982a_100000752040_200025704644 [0,1,0,1,0,0|2,0,0]=4 6785 B10R1.149 C[C@@H]1CCCN1C(=O)CO 240690a_100015189458_100000210174 [0,1,0,1,0,0|2,0,0]=4 6786 B10R1.149 C[C@@H]1CCCN1C(=O)CO 527a_100015189458_100000210174 [0,1,0,1,0,0|2,0,0]=4 6787 B10R1.149 C[C@H]1CCCN1C(=O)CO 240690a_100020605311_100000210174 [0,1,0,1,0,0|2,0,0]=4 6788 B10R1.149 C[C@H]1CCCN1C(=O)CO 527a_100020605311_100000210174 [0,1,0,1,0,0|2,0,0]=4 6789 B10R1.151 CCC(=O)COC1CSC1 7a_100000072292_100000747405 [0,1,0,1,0,0|2,0,0]=4 6790 B10R1.151 CCC(=O)NCC1CCC1 11a_100000738700_100000210414 [0,1,0,1,0,0|2,0,0]=4 6791 B10R1.151 CCC(=O)NCC1CCC1 1626a_100000738700_100000210414 [0,1,0,1,0,0|2,0,0]=4 6792 B10R1.151 CCC(=O)NCC1CCC1 240690a_100000738700_100000210414 [0,1,0,1,0,0|2,0,0]=4 6793 B10R1.151 CCC(=O)NCC1CCC1 527a_100000738700_100000210414 [0,1,0,1,0,0|2,0,0]=4 6794 B10R1.151 CCC(=O)NCC1COC1 11a_100015281925_100000210414 [0,1,0,1,0,0|1,1,0]=4 6795 B10R1.151 CCC(=O)NCC1COC1 1626a_100015281925_100000210414 [0,1,0,1,0,0|1,1,0]=4 6796 B10R1.151 CCC(=O)NCC1COC1 240690a_100015281925_100000210414 [0,1,0,1,0,0|1,1,0]=4 6797 B10R1.151 CCC(=O)NCC1COC1 527a_100015281925_100000210414 [0,1,0,1,0,0|1,1,0]=4 6798 B10R1.151 CNC(=O)COC1CSC1 7a_100000072292_100000183359 [0,1,0,1,0,0|2,0,0]=4 6799 B10R1.151 CNC(=O)NCC1CCC1 2708a_100000738700_106832991635 [0,1,0,1,0,0|2,0,0]=4 6800 B10R1.151 CNC(=O)NCC1CCC1 2708a_100102657272_100000738700 [0,1,0,1,0,0|2,0,0]=4 6801 B10R1.151 CNC(=O)NCC1CCC1 273464a_100000738700_100102657272 [0,1,0,1,0,0|2,0,0]=4 6802 B10R1.151 CNC(=O)NCC1CCC1 273464a_100102657272_100000738700 [0,1,0,1,0,0|2,0,0]=4 6803 B10R1.151 CNC(=O)NCC1CCC1 512a_100000738700_100102657272 [0,1,0,1,0,0|2,0,0]=4 6804 B10R1.151 CNC(=O)NCC1CCC1 512a_106832991638_100000738700 [0,1,0,1,0,0|2,0,0]=4 6805 B10R1.151 CNC(=O)NCC1COC1 2708a_100015281925_106832991635 [0,1,0,1,0,0|1,1,0]=4 6806 B10R1.151 CNC(=O)NCC1COC1 2708a_100102657272_100015281925 [0,1,0,1,0,0|1,1,0]=4 6807 B10R1.151 CNC(=O)NCC1COC1 273464a_100015281925_100102657272 [0,1,0,1,0,0|1,1,0]=4 6808 B10R1.151 CNC(=O)NCC1COC1 273464a_100102657272_100015281925 [0,1,0,1,0,0|1,1,0]=4 6809 B10R1.151 CNC(=O)NCC1COC1 512a_100015281925_100102657272 [0,1,0,1,0,0|1,1,0]=4 6810 B10R1.151 CNC(=O)NCC1COC1 512a_106832991638_100015281925 [0,1,0,1,0,0|1,1,0]=4 6811 B10R1.151 COC(=O)COC1CSC1 7a_100000072292_100000747449 [0,1,0,1,0,0|2,0,0]=4 6812 B10R1.151 O=C(CO)NCC1CCC1 240690a_100000738700_100000210174 [0,1,0,1,0,0|2,0,0]=4 6813 B10R1.151 O=C(CO)NCC1CCC1 527a_100000738700_100000210174 [0,1,0,1,0,0|2,0,0]=4 6814 B10R1.151 O=C(CO)NCC1COC1 240690a_100015281925_100000210174 [0,1,0,1,0,0|1,1,0]=4 6815 B10R1.151 O=C(CO)NCC1COC1 527a_100015281925_100000210174 [0,1,0,1,0,0|1,1,0]=4 6816 B10R1.23 CC(=O)C(C)N1CCSC1 2230a_100011215254_100009814033 [0,1,0,1,0,0|2,0,0]=4 6817 B10R1.23 CC(=O)C(C)N1CCSC1 269982a_100011215254_100009814033 [0,1,0,1,0,0|2,0,0]=4 6818 B10R1.23 CC(=O)N(C)C1CCCC1 11a_100000207505_100015343762 [0,1,0,1,0,0|2,0,0]=4 6819 B10R1.23 CC(=O)N(C)C1CCCC1 1626a_100000207505_100015343762 [0,1,0,1,0,0|2,0,0]=4 6820 B10R1.23 CC(=O)N(C)C1CCCC1 240690a_100000207505_100015343762 [0,1,0,1,0,0|2,0,0]=4 6821 B10R1.23 CC(=O)N(C)C1CCCC1 527a_100000207505_100103153847 [0,1,0,1,0,0|2,0,0]=4 6822 B10R1.23 CC(=O)N(C)C1CCOC1 11a_100016988252_100015343762 [0,1,0,1,0,0|1,1,0]=4 6823 B10R1.23 CC(=O)N(C)C1CCOC1 1626a_100016988252_100015343762 [0,1,0,1,0,0|1,1,0]=4 6824 B10R1.23 CC(=O)N(C)C1CCOC1 240690a_100016988252_100015343762 [0,1,0,1,0,0|1,1,0]=4 6825 B10R1.23 CC(=O)N(C)C1CCOC1 527a_100016988252_100103153847 [0,1,0,1,0,0|1,1,0]=4 6826 B10R1.93 COCC1CC(C1)C(=O)C 1458a_100000138301_200000210301 [0,1,0,1,0,0|1,1,0]=4 6827 B10R1.93 COCC1CC(C1)C(=O)[13CH3] 1458a_100000138301_200025704644 [0,1,0,1,0,0|1,1,0]=4 6828 B10R1.93 COCC1CN(C1)C(=O)C 11a_100016993750_100015343762 [0,1,0,1,0,0|1,1,0]=4 6829 B10R1.93 COCC1CN(C1)C(=O)C 240690a_100016993750_100015343762 [0,1,0,1,0,0|1,1,0]=4 6830 B10R1.93 COCC1CN(C1)C(=O)C 527a_100016993750_100103153847 [0,1,0,1,0,0|1,1,0]=4 6831 B10R1.113 CC(=O)C1CCCC(C1)C 1458a_100011215569_200000210301 [0,1,0,1,0,0|2,0,0]=4 6832 B10R1.113 CC(=O)C1CCCC(C1)O 1458a_100000707227_200000210301 [0,1,0,1,0,0|2,0,0]=4 6833 B10R1.113 CC(=O)C1CCCN(C1)C 1458a_100015257587_200000210301 [0,1,0,1,0,0|2,0,0]=4 6834 B10R1.113 CC(=O)C1CCNC(=O)C1 1458a_100000132800_200000210301 [0,1,0,1,0,0|2,0,0]=4 6835 B10R1.113 CC(=O)N1CCCC(C1)F 11a_100000697950_100015343762 [0,1,0,1,0,0|2,0,0]=4 6836 B10R1.113 CC(=O)N1CCCC(C1)F 1626a_100000697950_100015343762 [0,1,0,1,0,0|2,0,0]=4 6837 B10R1.113 CC(=O)N1CCCC(C1)F 240690a_100000697950_100015343762 [0,1,0,1,0,0|2,0,0]=4 6838 B10R1.113 CC(=O)N1CCCC(C1)F 527a_100000697950_100103153847 [0,1,0,1,0,0|2,0,0]=4 6839 B10R1.113 CC(=O)N1CCCC(C1)O 240690a_100000211013_100015343762 [0,1,0,1,0,0|2,0,0]=4 6840 B10R1.113 CC(=O)N1CCCC(C1)O 527a_100000211013_100103153847 [0,1,0,1,0,0|2,0,0]=4 6841 B10R1.113 CC(=O)N1CCC[C@@H](C1)C 11a_100000717927_100015343762 [0,1,0,1,0,0|2,0,0]=4 6842 B10R1.113 CC(=O)N1CCC[C@@H](C1)C 240690a_100000717927_100015343762 [0,1,0,1,0,0|2,0,0]=4 6843 B10R1.113 CC(=O)N1CCC[C@@H](C1)C 527a_100000717927_100103153847 [0,1,0,1,0,0|2,0,0]=4 6844 B10R1.113 CC(=O)N1CCOC(=O)C1 11a_100000131268_100015343762 [0,1,0,1,0,0|2,0,0]=4 6845 B10R1.113 CC(=O)N1CCOC(=O)C1 240690a_100000131268_100015343762 [0,1,0,1,0,0|2,0,0]=4 6846 B10R1.113 CC(=O)N1CCOC(=O)C1 527a_100000131268_100103153847 [0,1,0,1,0,0|2,0,0]=4 6847 B10R1.113 CC(C)N1CCOC(=O)C1 2230a_100000131268_100000210206 [0,1,0,1,0,0|2,0,0]=4 6848 B10R1.113 CC1CCCC(C1)C(=O)[13CH3] 1458a_100011215569_200025704644 [0,1,0,1,0,0|2,0,0]=4 6849 B10R1.113 CN1CCCC(C1)C(=O)[13CH3] 1458a_100015257587_200025704644 [0,1,0,1,0,0|2,0,0]=4 6850 B10R1.113 [13CH3]C(=O)C1CCCC(C1)O 1458a_100000707227_200025704644 [0,1,0,1,0,0|2,0,0]=4 6851 B10R1.113 [13CH3]C(=O)C1CCNC(=O)C1 1458a_100000132800_200025704644 [0,1,0,1,0,0|2,0,0]=4 6852 B10R1.131 CN1CC(CC1=O)CO[13CH3] 34a_100015185614_200025704644 [0,1,0,1,0,0|1,1,0]=4 6853 B10R1.131 COCC1CC(=O)N(C1)C 34a_100015185614_200000210301 [0,1,0,1,0,0|1,1,0]=4 6854 B10R1.176 CN1CCC(CC1=O)N[13CH3] 2230a_100000126938_200025704644 [0,1,0,1,0,0|2,0,0]=4 6855 B10R1.176 CN1CCC(CC1=O)N[13CH3] 34a_100000126938_200025704644 [0,1,0,1,0,0|2,0,0]=4 6856 B10R1.176 CNC1CCN(C(=O)C1)C 2230a_100000126938_200000210301 [0,1,0,1,0,0|2,0,0]=4 6857 B10R1.176 CNC1CCN(C(=O)C1)C 34a_100000126938_200000210301 [0,1,0,1,0,0|2,0,0]=4 6858 B10R1.204 CC(=O)C(C)OC1CSC1 7a_100000072292_100000179758 [0,1,0,1,0,0|2,0,0]=4 6859 B10R1.204 CC(=O)N(C)CC1CCC1 11a_200000750244_100015343762 [0,1,0,1,0,0|2,0,0]=4 6860 B10R1.204 CC(=O)N(C)CC1CCC1 1626a_200000750244_100015343762 [0,1,0,1,0,0|2,0,0]=4 6861 B10R1.204 CC(=O)N(C)CC1CCC1 240690a_200000750244_100015343762 [0,1,0,1,0,0|2,0,0]=4 6862 B10R1.204 CC(=O)N(C)CC1CCC1 527a_200000750244_100103153847 [0,1,0,1,0,0|2,0,0]=4 6863 B10R1.205 CC(=O)C(C)SCC1CS1 62a_100000031435_100009814033 [0,1,0,1,0,0|2,0,0]=4 6864 B10R1.205 CC(=O)C(C)SCC1CS1 62a_100009814033_100000031435 [0,1,0,1,0,0|2,0,0]=4 6865 B10R1.363 CC(=O)C1(CCCCC1)C 1458a_100000762840_200000210301 [0,1,0,1,0,0|2,0,0]=4 6866 B10R1.363 CC(=O)C1(CCCCC1)F 1458a_100000069003_200000210301 [0,1,0,1,0,0|2,0,0]=4 6867 B10R1.363 CC(=O)C1(CCCCC1)O 1458a_100000242742_200000210301 [0,1,0,1,0,0|2,0,0]=4 6868 B10R1.363 CC1(CCCCC1)C(=O)[13CH3] 1458a_100000762840_200025704644 [0,1,0,1,0,0|2,0,0]=4 6869 B10R1.363 [13CH3]C(=O)C1(CCCCC1)F 1458a_100000069003_200025704644 [0,1,0,1,0,0|2,0,0]=4 6870 B10R1.363 [13CH3]C(=O)C1(CCCCC1)O 1458a_100000242742_200025704644 [0,1,0,1,0,0|2,0,0]=4 6871 B10R1.59 CC(=O)[C@@H]1C[C@H](CN1C)O 1458a_100015191551_200000210301 [0,1,0,1,0,0|2,0,0]=4 6872 B10R1.59 CN1C[C@@H](C[C@H]1C(=O)[13CH3])O 1458a_100015191551_200025704644 [0,1,0,1,0,0|2,0,0]=4 6873 B10R1.82 C=C1CC(C1)CNC(=O)C 11a_100102567296_100015343762 [0,1,0,1,0,0|2,0,0]=4 6874 B10R1.82 C=C1CC(C1)CNC(=O)C 1626a_100102567296_100015343762 [0,1,0,1,0,0|2,0,0]=4 6875 B10R1.82 C=C1CC(C1)CNC(=O)C 240690a_100102567296_100015343762 [0,1,0,1,0,0|2,0,0]=4 6876 B10R1.82 C=C1CC(C1)CNC(=O)C 527a_100102567296_100103153847 [0,1,0,1,0,0|2,0,0]=4 6877 B10R1.82 CC(=O)NCC1CC(C1)O 11a_100016992100_100015343762 [0,1,0,1,0,0|2,0,0]=4 6878 B10R1.82 CC(=O)NCC1CC(C1)O 240690a_100016992100_100015343762 [0,1,0,1,0,0|2,0,0]=4 6879 B10R1.82 CC(=O)NCC1CN(C1)C 240690a_100000723568_100015343762 [0,1,0,1,0,0|2,0,0]=4 6880 B10R1.82 CC(=O)OCN1CC(C1)C 269982a_100000702820_100000076356 [0,1,0,1,0,0|2,0,0]=4 6881 B10R1.82 CC(=O)OCN1CC(C1)C 34a_100000702820_100009813279 [0,1,0,1,0,0|2,0,0]=4 6882 B10R1.82 CC(=O)OCN1CC(C1)F 269982a_100000690557_100000076356 [0,1,0,1,0,0|2,0,0]=4 6883 B10R1.82 CC(=O)OCN1CC(C1)F 34a_100000690557_100009813279 [0,1,0,1,0,0|2,0,0]=4 6884 B10R1.82 CC(=O)OCN1CC(C1)O 269982a_100000749847_100000076356 [0,1,0,1,0,0|2,0,0]=4 6885 B10R1.211 CC(=O)NCC(O)C1CC1 11a_100000751198_100015343762 [0,1,0,1,0,0|2,0,0]=4 6886 B10R1.211 CC(=O)NCC(O)C1CC1 240690a_100000751198_100015343762 [0,1,0,1,0,0|2,0,0]=4 6887 B10R1.211 CC(=O)NCC(O)C1CC1 527a_100000751198_100103153847 [0,1,0,1,0,0|2,0,0]=4 6888 B10R1.211 CC(=O)OCN(C)C1CC1 269982a_100000226674_100000076356 [0,1,0,1,0,0|2,0,0]=4 6889 B10R1.353 CC(=O)NCC1(CCC1)C 11a_100000706607_100015343762 [0,1,0,1,0,0|2,0,0]=4 6890 B10R1.353 CC(=O)NCC1(CCC1)C 1626a_100000706607_100015343762 [0,1,0,1,0,0|2,0,0]=4 6891 B10R1.353 CC(=O)NCC1(CCC1)C 240690a_100000706607_100015343762 [0,1,0,1,0,0|2,0,0]=4 6892 B10R1.353 CC(=O)NCC1(CCC1)C 527a_100000706607_100103153847 [0,1,0,1,0,0|2,0,0]=4 6893 B10R1.353 CC(=O)NCC1(CCC1)O 11a_100000752638_100015343762 [0,1,0,1,0,0|2,0,0]=4 6894 B10R1.353 CC(=O)NCC1(CCC1)O 1626a_100000752638_100015343762 [0,1,0,1,0,0|2,0,0]=4 6895 B10R1.353 CC(=O)NCC1(CCC1)O 240690a_100000752638_100015343762 [0,1,0,1,0,0|2,0,0]=4 6896 B10R1.353 CC(=O)NCC1(CCC1)O 527a_100000752638_100103153847 [0,1,0,1,0,0|2,0,0]=4 6897 B10R1.353 CC(=O)NCC1(COC1)C 1626a_100020631278_100015343762 [0,1,0,1,0,0|1,1,0]=4 6898 B10R1.353 CC(=O)NCC1(COC1)C 527a_100020631278_100103153847 [0,1,0,1,0,0|1,1,0]=4 6899 B10R1.353 CC(=O)NCC1(COC1)O 11a_100010264505_100015343762 [0,1,0,1,0,0|1,1,0]=4 6900 B10R1.353 CC(=O)NCC1(COC1)O 240690a_100010264505_100015343762 [0,1,0,1,0,0|1,1,0]=4 6901 B10R1.353 CC(=O)NCC1(COC1)O 527a_100010264505_100103153847 [0,1,0,1,0,0|1,1,0]=4 6902 B10R1.353 CC(C)OCC1(CSC1)C 34a_100000732658_100000210206 [0,1,0,1,0,0|1,0,1]=4 6903 B10R1.353 CC(C)OCC1(CSC1)C 7a_100000732658_100000210206 [0,1,0,1,0,0|1,0,1]=4 6904 B10R1.128 CC(=O)N1CCCC1(C)C 11a_100000761399_100015343762 [0,1,0,1,0,0|2,0,0]=4 6905 B10R1.128 CC(=O)N1CCCC1(C)C 1626a_100000761399_100015343762 [0,1,0,1,0,0|2,0,0]=4 6906 B10R1.128 CC(=O)N1CCCC1(C)C 240690a_100000761399_100015343762 [0,1,0,1,0,0|2,0,0]=4 6907 B10R1.128 CC(=O)N1CCCC1(C)C 527a_100000761399_100103153847 [0,1,0,1,0,0|2,0,0]=4 6908 B10R1.128 CC(=O)[C@@H]1CCC[N+]1(C)C 1458a_100016991750_200000210301 [0,1,0,1,0,0|2,0,0]=4 6909 B10R1.128 C[N+]1(CCC[C@H]1C(=O)[13CH3])C 1458a_100016991750_200025704644 [0,1,0,1,0,0|2,0,0]=4 6910 B10R1.361 CC(=O)N1CC[C@H]1C(=O)[13CH3] 1458a_200015362969_200025704644 [0,1,0,1,0,0|2,0,0]=4 6911 B10R1.361 CC(=O)[C@@H]1CCN1C(=O)C 1458a_200015362969_200000210301 [0,1,0,1,0,0|2,0,0]=4 6912 B10R2.351 CC(=O)C1C2C1COC2 1458a_100000138910_200000210301 [0,0,0,2,0,0|1,1,0]=4 6913 B10R2.351 [13CH3]C(=O)C1C2C1COC2 1458a_100000138910_200025704644 [0,0,0,2,0,0|1,1,0]=4 6914 B10R2.357 CC(=O)N1CC2CC2C1 11a_100000741873_100015343762 [0,0,0,2,0,0|2,0,0]=4 6915 B10R2.357 CC(=O)N1CC2CC2C1 1626a_100000741873_100015343762 [0,0,0,2,0,0|2,0,0]=4 6916 B10R2.357 CC(=O)N1CC2CC2C1 240690a_100000741873_100015343762 [0,0,0,2,0,0|2,0,0]=4 6917 B10R2.357 CC(=O)N1CC2CC2C1 527a_100000741873_100103153847 [0,0,0,2,0,0|2,0,0]=4 6918 B10R2.638 CC(=O)C1CC12CCC2 1458a_100000687150_200000210301 [0,0,0,2,0,0|2,0,0]=4 6919 B10R2.638 [13CH3]C(=O)C1CC12CCC2 1458a_100000687150_200025704644 [0,0,0,2,0,0|2,0,0]=4