0 B8R0.7 C#CCCCCC(=O)C 1458a_100000070787_100010269958 [0,0,0,0,0,0|0,0,4]=4 1 B8R0.7 C#CCCCCC(=O)C 1458a_100000696528_200000210301 [0,0,0,0,0,0|0,0,4]=4 2 B8R0.7 C#CCCCCC(=O)[13CH3] 1458a_100000696528_200025704644 [0,0,0,0,0,0|0,0,4]=4 3 B8R0.7 C#CCCCNC(=O)C 11a_100000718082_100015343762 [0,0,0,0,0,0|1,0,3]=4 4 B8R0.7 C#CCCCNC(=O)C 1626a_100000718082_100015343762 [0,0,0,0,0,0|1,0,3]=4 5 B8R0.7 C#CCCCNC(=O)C 240690a_100000718082_100015343762 [0,0,0,0,0,0|1,0,3]=4 6 B8R0.7 C#CCCCNC(=O)C 527a_100000718082_100103153847 [0,0,0,0,0,0|1,0,3]=4 7 B8R0.7 C#CCCOCC(=O)C 34a_100000211253_100000688953 [0,0,0,0,0,0|1,0,3]=4 8 B8R0.7 C/C=C/COCC(=O)C 34a_100000211253_100102629194 [0,0,0,0,0,0|1,0,3]=4 9 B8R0.7 C=C(C)C=NNCCC 4a_100000740057_100000210575 [0,0,0,0,0,0|3,0,0]=3 10 B8R0.7 C=C(C)C=NNCCO 4a_100000210001_100000210575 [0,0,0,0,0,0|4,0,0]=4 11 B8R0.7 C=C(C)CCOCCC 34a_100000210258_100000730704 [0,0,0,0,0,0|2,0,2]=4 12 B8R0.7 C=C(C)CCOCCC 34a_100000764851_100000210303 [0,0,0,0,0,0|2,0,2]=4 13 B8R0.7 C=C(C)CCSCCC 62a_100000210303_100000730704 [0,0,0,0,0,0|2,0,2]=4 14 B8R0.7 C=C(C)CCSCCC 62a_100000730704_100000210303 [0,0,0,0,0,0|2,0,2]=4 15 B8R0.7 C=C(C)CNCCCC 2230a_100000102301_100000748629 [0,0,0,0,0,0|2,0,1]=3 16 B8R0.7 C=C(C)CNCCCC 7a_106832991798_100000748629 [0,0,0,0,0,0|2,0,1]=3 17 B8R0.7 C=C(C)CNCCCF 2230a_100015189416_100000748629 [0,0,0,0,0,0|3,0,1]=4 18 B8R0.7 C=C(C)CNCCCF 34a_100015189416_100000748629 [0,0,0,0,0,0|3,0,1]=4 19 B8R0.7 C=C(C)CNCCOC 2230a_100000209980_100000748629 [0,0,0,0,0,0|3,0,1]=4 20 B8R0.7 C=C(C)CNCCSC 2230a_100020590264_100000748629 [0,0,0,0,0,0|3,0,1]=4 21 B8R0.7 C=C(C)COCCCBr 34a_100011217188_100000748629 [0,0,0,0,0,0|3,0,1]=4 22 B8R0.7 C=C(C)COCCCC 34a_100000210227_100000748629 [0,0,0,0,0,0|2,0,1]=3 23 B8R0.7 C=C(C)COCCCC 34a_100000210245_100000210210 [0,0,0,0,0,0|2,0,1]=3 24 B8R0.7 C=C(C)COCCCC 7a_100000210227_100000748629 [0,0,0,0,0,0|2,0,1]=3 25 B8R0.7 C=C(C)COCCCCl 34a_100000230001_100000748629 [0,0,0,0,0,0|3,0,1]=4 26 B8R0.7 C=C(C)COCCCF 34a_100000210245_100011934791 [0,0,0,0,0,0|3,0,1]=4 27 B8R0.7 C=C(C)COCCCF 34a_100000759539_100000748629 [0,0,0,0,0,0|3,0,1]=4 28 B8R0.7 C=C(C)COCCCN 34a_100000182051_100000748629 [0,0,0,0,0,0|3,0,1]=4 29 B8R0.7 C=C(C)COCCCO 34a_100000210245_100000230001 [0,0,0,0,0,0|3,0,1]=4 30 B8R0.7 C=C(C)COCCOC 34a_100000210237_100000748629 [0,0,0,0,0,0|3,0,1]=4 31 B8R0.7 C=C(C)COCCOC 34a_100000210245_100011201679 [0,0,0,0,0,0|3,0,1]=4 32 B8R0.7 C=C(C)COCCSC 34a_100000210245_100000212216 [0,0,0,0,0,0|3,0,1]=4 33 B8R0.7 C=C(C)COCCSC 34a_100000230434_100000748629 [0,0,0,0,0,0|3,0,1]=4 34 B8R0.7 C=C(C)COCCSC 7a_100000230434_100000748629 [0,0,0,0,0,0|3,0,1]=4 35 B8R0.7 C=C(C)CSCCCC 62a_100000210211_100000211660 [0,0,0,0,0,0|2,0,1]=3 36 B8R0.7 C=C(C)CSCCCC 62a_100000748629_100000210210 [0,0,0,0,0,0|2,0,1]=3 37 B8R0.7 C=C(C)CSCCCF 62a_100000748629_100011934791 [0,0,0,0,0,0|3,0,1]=4 38 B8R0.7 C=C(C)CSCCCF 62a_100011934791_100000211660 [0,0,0,0,0,0|3,0,1]=4 39 B8R0.7 C=C(C)CSCCCO 62a_100000748629_100011215043 [0,0,0,0,0,0|3,0,1]=4 40 B8R0.7 C=C(C)CSCCCO 62a_100011215043_100000211660 [0,0,0,0,0,0|3,0,1]=4 41 B8R0.7 C=C(C)CSCCOC 62a_100000233755_100000211660 [0,0,0,0,0,0|3,0,1]=4 42 B8R0.7 C=C(C)CSCCOC 62a_100000748629_100000233755 [0,0,0,0,0,0|3,0,1]=4 43 B8R0.7 C=C(C)CSCCSC 62a_100000212216_100000211660 [0,0,0,0,0,0|3,0,1]=4 44 B8R0.7 C=C(C)CSCCSC 62a_100000748629_100000751147 [0,0,0,0,0,0|3,0,1]=4 45 B8R0.7 C=C(C)CSCOCC 62a_100000739092_100000211660 [0,0,0,0,0,0|3,0,1]=4 46 B8R0.7 C=C(C)CSCOCC 62a_100000748629_100000739092 [0,0,0,0,0,0|3,0,1]=4 47 B8R0.7 C=C(F)CNCCCC 2230a_100000102301_100009893438 [0,0,0,0,0,0|2,0,2]=4 48 B8R0.7 C=C(F)CNCCCC 7a_106832991798_100000042424 [0,0,0,0,0,0|2,0,2]=4 49 B8R0.7 C=C(F)COCCCC 34a_100000210227_100009893438 [0,0,0,0,0,0|2,0,2]=4 50 B8R0.7 C=C(F)COCCCC 34a_200010262243_100000210210 [0,0,0,0,0,0|2,0,2]=4 51 B8R0.7 C=C(F)COCCCC 7a_100000210227_100000042424 [0,0,0,0,0,0|2,0,2]=4 52 B8R0.7 C=C(F)CSCCCC 62a_100000042424_100000210210 [0,0,0,0,0,0|2,0,2]=4 53 B8R0.7 C=C(F)CSCCCC 62a_100000210211_100000042424 [0,0,0,0,0,0|2,0,2]=4 54 B8R0.7 C=CCCCCC(=O)C 1458a_100000070787_100011215482 [0,0,0,0,0,0|0,0,4]=4 55 B8R0.7 C=CCCCCC(=O)C 1458a_100011215552_200000210301 [0,0,0,0,0,0|0,0,4]=4 56 B8R0.7 C=CCCCCC(=O)[13CH3] 1458a_100011215552_200025704644 [0,0,0,0,0,0|0,0,4]=4 57 B8R0.7 C=CCCCNC(=O)C 11a_100000700776_100015343762 [0,0,0,0,0,0|1,0,3]=4 58 B8R0.7 C=CCCCNC(=O)C 1626a_100000700776_100015343762 [0,0,0,0,0,0|1,0,3]=4 59 B8R0.7 C=CCCCNC(=O)C 240690a_100000700776_100015343762 [0,0,0,0,0,0|1,0,3]=4 60 B8R0.7 C=CCCCNC(=O)C 527a_100000700776_100103153847 [0,0,0,0,0,0|1,0,3]=4 61 B8R0.7 C=CCCOCC(=O)C 34a_100000211253_100000754431 [0,0,0,0,0,0|1,0,3]=4 62 B8R0.7 CC#CCOCC(=O)C 34a_100000211253_100000748600 [0,0,0,0,0,0|1,0,3]=4 63 B8R0.7 CC(=CCCSCF)C 62a_100011217483_100015361967 [0,0,0,0,0,0|3,0,1]=4 64 B8R0.7 CC(=CCCSCF)C 62a_100015361967_100011217483 [0,0,0,0,0,0|3,0,1]=4 65 B8R0.7 CC(=CCNCCF)C 34a_100000718196_100011217306 [0,0,0,0,0,0|3,0,1]=4 66 B8R0.7 CC(=CCNCCF)C 34a_100000724931_100000761012 [0,0,0,0,0,0|3,0,1]=4 67 B8R0.7 CC(=CCNCCO)C 2230a_100016997473_100000761012 [0,0,0,0,0,0|3,0,1]=4 68 B8R0.7 CC(=CCNCCO)C 34a_100000718196_100000211926 [0,0,0,0,0,0|3,0,1]=4 69 B8R0.7 CC(=CCNCCO)C 34a_100016990907_100000761012 [0,0,0,0,0,0|3,0,1]=4 70 B8R0.7 CC(=CCOCCBr)C 34a_100000211926_100000761012 [0,0,0,0,0,0|3,0,1]=4 71 B8R0.7 CC(=CCOCCF)C 34a_100000753907_100011217306 [0,0,0,0,0,0|3,0,1]=4 72 B8R0.7 CC(=CCOCCN)C 34a_100000210304_100000761012 [0,0,0,0,0,0|3,0,1]=4 73 B8R0.7 CC(=CCOCCO)C 34a_100000753907_100000211926 [0,0,0,0,0,0|3,0,1]=4 74 B8R0.7 CC(=CCSCCF)C 62a_100000761012_100011217306 [0,0,0,0,0,0|3,0,1]=4 75 B8R0.7 CC(=CCSCCF)C 62a_100011217306_100000761012 [0,0,0,0,0,0|3,0,1]=4 76 B8R0.7 CC(=CCSCCO)C 62a_100000211926_100000761012 [0,0,0,0,0,0|3,0,1]=4 77 B8R0.7 CC(=CCSCCO)C 62a_100000761012_100000211926 [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|1,0,3]=4 79 B8R0.7 CC(=O)CCCCCF 1458a_100000070787_100000729378 [0,0,0,0,0,0|1,0,2]=3 80 B8R0.7 CC(=O)CCCCCO 1458a_100000070787_100000746330 [0,0,0,0,0,0|1,0,2]=3 81 B8R0.7 CC(=O)CCCCCO 1458a_100102619762_200000210301 [0,0,0,0,0,0|1,0,2]=3 82 B8R0.7 CC(=O)CCCCS[13CH3] 62a_100000735457_200025704644 [0,0,0,0,0,0|1,0,2]=3 83 B8R0.7 CC(=O)CCCCS[13CH3] 62a_200025704644_100000735457 [0,0,0,0,0,0|1,0,2]=3 84 B8R0.7 CC(=O)CCCOCF 34a_100000759063_100015361967 [0,0,0,0,0,0|2,0,2]=4 85 B8R0.7 CC(=O)CCCOCF 7a_100000759063_100015361967 [0,0,0,0,0,0|2,0,2]=4 86 B8R0.7 CC(=O)CCCSCF 62a_100011215641_100015361967 [0,0,0,0,0,0|2,0,2]=4 87 B8R0.7 CC(=O)CCCSCF 62a_100015361967_100011215641 [0,0,0,0,0,0|2,0,2]=4 88 B8R0.7 CC(=O)CCOCCF 34a_100000759926_100011217306 [0,0,0,0,0,0|2,0,2]=4 89 B8R0.7 CC(=O)CCOCCF 7a_100000759926_100011217306 [0,0,0,0,0,0|2,0,2]=4 90 B8R0.7 CC(=O)CCOCCO 1458a_100000070787_100011215305 [0,0,0,0,0,0|2,0,2]=4 91 B8R0.7 CC(=O)CCOCCO 1458a_100011229844_200000210301 [0,0,0,0,0,0|2,0,2]=4 92 B8R0.7 CC(=O)CCOCCO 34a_100000759926_100000211926 [0,0,0,0,0,0|2,0,2]=4 93 B8R0.7 CC(=O)CCOCCO 7a_100000759926_100000211926 [0,0,0,0,0,0|2,0,2]=4 94 B8R0.7 CC(=O)CCSCCF 62a_100000053229_100011217306 [0,0,0,0,0,0|2,0,2]=4 95 B8R0.7 CC(=O)CCSCCF 62a_100011217306_100000053229 [0,0,0,0,0,0|2,0,2]=4 96 B8R0.7 CC(=O)CCSCCO 62a_100000053229_100000211926 [0,0,0,0,0,0|2,0,2]=4 97 B8R0.7 CC(=O)CCSCCO 62a_100000211926_100000053229 [0,0,0,0,0,0|2,0,2]=4 98 B8R0.7 CC(=O)COCCCF 34a_100000211253_100011934791 [0,0,0,0,0,0|2,0,1]=3 99 B8R0.7 CC(=O)COCCCO 34a_100000211253_100000230001 [0,0,0,0,0,0|2,0,1]=3 100 B8R0.7 CC(=O)NCCCCO 240690a_100000750430_100015343762 [0,0,0,0,0,0|2,0,1]=3 101 B8R0.7 CC(=O)NCCCCO 527a_100000750430_100103153847 [0,0,0,0,0,0|2,0,1]=3 102 B8R0.7 CC(=O)NCCCN[13CH3] 34a_100000736810_200025704644 [0,0,0,0,0,0|2,0,1]=3 103 B8R0.7 CC(=O)NCCCO[13CH3] 34a_100000752032_200025704644 [0,0,0,0,0,0|2,0,1]=3 104 B8R0.7 CC(=O)NCCOCF 34a_100000158858_100015361967 [0,0,0,0,0,0|3,0,1]=4 105 B8R0.7 CC(=O)NCCSCF 62a_100000189650_100015361967 [0,0,0,0,0,0|3,0,1]=4 106 B8R0.7 CC(=O)NCCSCF 62a_100015361967_100000189650 [0,0,0,0,0,0|3,0,1]=4 107 B8R0.7 CC(=O)NNCCC#N 22a_100000229987_100000070787 [0,0,0,0,0,0|3,0,1]=4 108 B8R0.7 CC(=O)OCCCS[13CH3] 62a_100000042594_200025704644 [0,0,0,0,0,0|2,0,1]=3 109 B8R0.7 CC(=O)OCCCS[13CH3] 62a_200025704644_100000042594 [0,0,0,0,0,0|2,0,1]=3 110 B8R0.7 CC(=O)OCCSCF 62a_100009814007_100015361967 [0,0,0,0,0,0|3,0,1]=4 111 B8R0.7 CC(=O)OCCSCF 62a_100015361967_100009814007 [0,0,0,0,0,0|3,0,1]=4 112 B8R0.7 CC(=O)OCNCCF 34a_100000724931_100009813279 [0,0,0,0,0,0|3,0,1]=4 113 B8R0.7 CC(=O)OCNCCO 34a_100016990907_100009813279 [0,0,0,0,0,0|3,0,1]=4 114 B8R0.7 CC(=O)OCOCCBr 34a_100000211926_100009813279 [0,0,0,0,0,0|3,0,1]=4 115 B8R0.7 CC(=O)OCOCCN 34a_100000210304_100009813279 [0,0,0,0,0,0|3,0,1]=4 116 B8R0.7 CC(=O)OCSCCF 62a_100000076356_100011217306 [0,0,0,0,0,0|3,0,1]=4 117 B8R0.7 CC(=O)OCSCCF 62a_100011217306_100000076356 [0,0,0,0,0,0|3,0,1]=4 118 B8R0.7 CC(=O)OCSCCO 62a_100000076356_100000211926 [0,0,0,0,0,0|3,0,1]=4 119 B8R0.7 CC(=O)OCSCCO 62a_100000211926_100000076356 [0,0,0,0,0,0|3,0,1]=4 120 B8R0.7 CC(=O)SCCCS[13CH3] 62a_100000038929_200025704644 [0,0,0,0,0,0|2,0,1]=3 121 B8R0.7 CC(=O)SCCCS[13CH3] 62a_200025704644_100000038929 [0,0,0,0,0,0|2,0,1]=3 122 B8R0.7 CC(=S)OCCCS[13CH3] 62a_200025704644_200135323944 [0,0,0,0,0,0|2,1,1]=4 123 B8R0.7 CC(=S)OCCCS[13CH3] 62a_200135323944_200025704644 [0,0,0,0,0,0|2,1,1]=4 124 B8R0.7 CC/C=C\CCC(=O)C 1458a_100000070787_100015370543 [0,0,0,0,0,0|0,0,4]=4 125 B8R0.7 CC=CCOCC(=O)C 34a_100000211253_100000070051 [0,0,0,0,0,0|1,0,3]=4 126 B8R0.7 CCC/C=C/CC(=O)C 1458a_200016266809_200000210301 [0,0,0,0,0,0|0,0,2]=2 127 B8R0.7 CCC/C=C/CC(=O)[13CH3] 1458a_200016266809_200025704644 [0,0,0,0,0,0|0,0,2]=2 128 B8R0.7 CCCC=NNC(=O)C 4a_100000189765_100000185831 [0,0,0,0,0,0|2,0,1]=3 129 B8R0.7 CCCCC=CC(=O)C 1458a_100016266645_200000210301 [0,0,0,0,0,0|0,0,0]=0 130 B8R0.7 CCCCC=CC(=O)[13CH3] 1458a_100016266645_200025704644 [0,0,0,0,0,0|0,0,0]=0 131 B8R0.7 CCCCCCC(=O)C 1458a_100000070787_100000210757 [0,0,0,0,0,0|0,0,2]=2 132 B8R0.7 CCCCCCC(=O)C 1458a_100102632555_200000210301 [0,0,0,0,0,0|0,0,2]=2 133 B8R0.7 CCCCCCC(=O)[13CH3] 1458a_100102632555_200025704644 [0,0,0,0,0,0|0,0,2]=2 134 B8R0.7 CCCCCCN(C)C 2230a_100102631434_100000210314 [0,0,0,0,0,0|2,0,2]=4 135 B8R0.7 CCCCCCN(C)C 2230a_106256046315_200000210301 [0,0,0,0,0,0|2,0,2]=4 136 B8R0.7 CCCCCCN(C)C 269982a_100102631434_100000210757 [0,0,0,0,0,0|2,0,2]=4 137 B8R0.7 CCCCCCN(C)C 269982a_106256046315_200000210301 [0,0,0,0,0,0|2,0,2]=4 138 B8R0.7 CCCCCCN(C)[13CH3] 2230a_106256046315_200025704644 [0,0,0,0,0,0|2,0,2]=4 139 B8R0.7 CCCCCCN(C)[13CH3] 269982a_106256046315_200025704644 [0,0,0,0,0,0|2,0,2]=4 140 B8R0.7 CCCCCNC(=O)C 11a_100000209983_100015343762 [0,0,0,0,0,0|1,0,1]=2 141 B8R0.7 CCCCCNC(=O)C 1626a_100000209983_100015343762 [0,0,0,0,0,0|1,0,1]=2 142 B8R0.7 CCCCCNC(=O)C 240690a_100000209983_100015343762 [0,0,0,0,0,0|1,0,1]=2 143 B8R0.7 CCCCCNC(=O)C 527a_100000209983_100103153847 [0,0,0,0,0,0|1,0,1]=2 144 B8R0.7 CCCCCNC(C)C 2230a_100000209983_100000210206 [0,0,0,0,0,0|2,0,2]=4 145 B8R0.7 CCCCCNC(C)C 2230a_100138425928_100000210326 [0,0,0,0,0,0|2,0,2]=4 146 B8R0.7 CCCCCNC(C)C 34a_100138425928_100000718602 [0,0,0,0,0,0|2,0,2]=4 147 B8R0.7 CCCCCOC(C)C 34a_100000210253_100000210206 [0,0,0,0,0,0|2,0,2]=4 148 B8R0.7 CCCCCOC(C)C 34a_100000212225_100000718602 [0,0,0,0,0,0|2,0,2]=4 149 B8R0.7 CCCCCOC(C)C 7a_100000210253_100000210206 [0,0,0,0,0,0|2,0,2]=4 150 B8R0.7 CCCCCSC(C)C 62a_100000210206_100000210326 [0,0,0,0,0,0|2,0,2]=4 151 B8R0.7 CCCCCSC(C)C 62a_100000210326_100000210206 [0,0,0,0,0,0|2,0,2]=4 152 B8R0.7 CCCCNCC(=O)N 2230a_100000102301_100000747473 [0,0,0,0,0,0|2,0,1]=3 153 B8R0.7 CCCCNCC(=O)N 2230a_100000711301_100000210211 [0,0,0,0,0,0|2,0,1]=3 154 B8R0.7 CCCCNCC(=O)N 7a_106832991798_100000187820 [0,0,0,0,0,0|2,0,1]=3 155 B8R0.7 CCCCNCC(=O)O 269956a_100016091260_100000210211 [0,0,0,0,0,0|2,0,1]=3 156 B8R0.7 CCCCNCC(C)C 2230a_100000102301_100000210760 [0,0,0,0,0,0|2,0,2]=4 157 B8R0.7 CCCCNCC(C)C 2230a_100000210953_100000210211 [0,0,0,0,0,0|2,0,2]=4 158 B8R0.7 CCCCNCC(C)C 270004a_100000102301_100000210432 [0,0,0,0,0,0|2,0,2]=4 159 B8R0.7 CCCCNCC(C)C 34a_100000210953_100000210210 [0,0,0,0,0,0|2,0,2]=4 160 B8R0.7 CCCCNCC(C)C 7a_106832991798_100000210760 [0,0,0,0,0,0|2,0,2]=4 161 B8R0.7 CCCCNCC(C)O 2230a_100000102301_100011218427 [0,0,0,0,0,0|1,0,3]=4 162 B8R0.7 CCCCNCC(C)O 2230a_100000210904_100000210211 [0,0,0,0,0,0|1,0,3]=4 163 B8R0.7 CCCCNCC(C)O 34a_100000210904_100000210210 [0,0,0,0,0,0|1,0,3]=4 164 B8R0.7 CCCCNCC(C)O 7a_106832991798_100011218427 [0,0,0,0,0,0|1,0,3]=4 165 B8R0.7 CCCCNC[C@@H](C)O 2230a_100000102301_100009817552 [0,0,0,0,0,0|1,0,3]=4 166 B8R0.7 CCCCNC[C@@H](C)O 7a_106832991798_100009817552 [0,0,0,0,0,0|1,0,3]=4 167 B8R0.7 CCCCNNC(=O)C 22a_100025702795_100000070787 [0,0,0,0,0,0|2,0,0]=2 168 B8R0.7 CCCCOCC(=O)C 1458a_100000070787_100011995733 [0,0,0,0,0,0|1,0,1]=2 169 B8R0.7 CCCCOCC(=O)C 1458a_100000757543_200000210301 [0,0,0,0,0,0|1,0,1]=2 170 B8R0.7 CCCCOCC(=O)C 34a_100000211253_100000210210 [0,0,0,0,0,0|1,0,1]=2 171 B8R0.7 CCCCOCC(=O)N 34a_100000210227_100000187820 [0,0,0,0,0,0|2,0,1]=3 172 B8R0.7 CCCCOCC(=O)N 7a_100000210227_100000187820 [0,0,0,0,0,0|2,0,1]=3 173 B8R0.7 CCCCOCC(=O)[13CH3] 1458a_100000757543_200025704644 [0,0,0,0,0,0|1,0,1]=2 174 B8R0.7 CCCCOCC(=O)[O-] 34a_100000210227_100020667443 [0,0,0,0,0,0|2,0,1]=3 175 B8R0.7 CCCCOCC(C)Br 34a_100012180447_100000210210 [0,0,0,0,0,0|2,0,2]=4 176 B8R0.7 CCCCOCC(C)C 34a_100000210227_100000210624 [0,0,0,0,0,0|2,0,2]=4 177 B8R0.7 CCCCOCC(C)C 34a_100000210257_100000210210 [0,0,0,0,0,0|2,0,2]=4 178 B8R0.7 CCCCOCC(C)C 7a_100000210227_100000210760 [0,0,0,0,0,0|2,0,2]=4 179 B8R0.7 CCCCOCC(C)F 34a_100015925927_100000210210 [0,0,0,0,0,0|2,0,2]=4 180 B8R0.7 CCCCOCC(C)O 34a_100000210227_100011218427 [0,0,0,0,0,0|1,0,3]=4 181 B8R0.7 CCCCOCC(C)O 7a_100000210227_100011218427 [0,0,0,0,0,0|1,0,3]=4 182 B8R0.7 CCCCOCN(C)C 2230a_100102631434_100011995733 [0,0,0,0,0,0|3,0,1]=4 183 B8R0.7 CCCCOCN(C)C 269982a_100102631434_100011995733 [0,0,0,0,0,0|3,0,1]=4 184 B8R0.7 CCCCOC[C@@H](C)Cl 34a_100016084084_100000210210 [0,0,0,0,0,0|2,0,2]=4 185 B8R0.7 CCCCOC[C@@H](C)N 34a_100000737577_100000210210 [0,0,0,0,0,0|2,0,2]=4 186 B8R0.7 CCCCOC[C@@H](C)O 34a_100000210227_100009817552 [0,0,0,0,0,0|1,0,3]=4 187 B8R0.7 CCCCOC[C@@H](C)O 7a_100000210227_100009817552 [0,0,0,0,0,0|1,0,3]=4 188 B8R0.7 CCCCOC[N+](=O)[O-] 34a_100000210227_100000761209 [0,0,0,0,0,0|3,0,1]=4 189 B8R0.7 CCCCSCC(=O)C 1458a_100000191162_200000210301 [0,0,0,0,0,0|1,0,1]=2 190 B8R0.7 CCCCSCC(=O)N 62a_100000210211_100000747473 [0,0,0,0,0,0|2,0,1]=3 191 B8R0.7 CCCCSCC(=O)N 62a_100000747473_100000210210 [0,0,0,0,0,0|2,0,1]=3 192 B8R0.7 CCCCSCC(=O)[13CH3] 1458a_100000191162_200025704644 [0,0,0,0,0,0|1,0,1]=2 193 B8R0.7 CCCCSCC(=O)[O-] 62a_100000210211_100020667443 [0,0,0,0,0,0|2,0,1]=3 194 B8R0.7 CCCCSCC(=O)[O-] 62a_100020667443_100000210210 [0,0,0,0,0,0|2,0,1]=3 195 B8R0.7 CCCCSCC(C)C 62a_100000210211_100000210760 [0,0,0,0,0,0|2,0,2]=4 196 B8R0.7 CCCCSCC(C)C 62a_100000210624_100000210210 [0,0,0,0,0,0|2,0,2]=4 197 B8R0.7 CCCCSCC(C)O 62a_100000210211_100011218427 [0,0,0,0,0,0|1,0,3]=4 198 B8R0.7 CCCCSCC(C)O 62a_100011218427_100000210210 [0,0,0,0,0,0|1,0,3]=4 199 B8R0.7 CCCCSC[C@@H](C)O 62a_100000210211_100009817552 [0,0,0,0,0,0|1,0,3]=4 200 B8R0.7 CCCCSC[C@@H](C)O 62a_100009817552_100000210210 [0,0,0,0,0,0|1,0,3]=4 201 B8R0.7 CCCCSC[N+](=O)[O-] 62a_100000210211_100000761209 [0,0,0,0,0,0|3,0,1]=4 202 B8R0.7 CCCNCC=C(C)C 34a_100000718196_100000210303 [0,0,0,0,0,0|2,0,1]=3 203 B8R0.7 CCCNN=CC(C)C 4a_100000740057_100000210432 [0,0,0,0,0,0|3,0,1]=4 204 B8R0.7 CCCNOCC(=O)O 269956a_100000106656_100000210207 [0,0,0,0,0,0|3,0,1]=4 205 B8R0.7 CCCOCC=C(C)C 34a_100000210258_100000761012 [0,0,0,0,0,0|2,0,1]=3 206 B8R0.7 CCCOCC=C(C)C 34a_100000753907_100000210303 [0,0,0,0,0,0|2,0,1]=3 207 B8R0.7 CCCOCCC(=O)C 1458a_100000070787_100011215938 [0,0,0,0,0,0|1,0,2]=3 208 B8R0.7 CCCOCCC(=O)C 34a_100000759926_100000210303 [0,0,0,0,0,0|1,0,2]=3 209 B8R0.7 CCCOCCC(=O)C 7a_100000759926_100000210303 [0,0,0,0,0,0|1,0,2]=3 210 B8R0.7 CCCOCCC(=O)N 34a_100000210258_100000731001 [0,0,0,0,0,0|2,0,2]=4 211 B8R0.7 CCCOCCC(=O)N 34a_100000757172_100000210303 [0,0,0,0,0,0|2,0,2]=4 212 B8R0.7 CCCOCCC(=O)N 7a_100000757172_100000210303 [0,0,0,0,0,0|2,0,2]=4 213 B8R0.7 CCCOCOC(=O)C 34a_100000210258_100009813279 [0,0,0,0,0,0|2,0,1]=3 214 B8R0.7 CCCSCC=C(C)C 62a_100000210303_100000761012 [0,0,0,0,0,0|2,0,1]=3 215 B8R0.7 CCCSCC=C(C)C 62a_100000761012_100000210303 [0,0,0,0,0,0|2,0,1]=3 216 B8R0.7 CCCSCCC(=O)C 62a_100000053229_100000210303 [0,0,0,0,0,0|1,0,2]=3 217 B8R0.7 CCCSCCC(=O)C 62a_100000210303_100000053229 [0,0,0,0,0,0|1,0,2]=3 218 B8R0.7 CCCSCCC(=O)N 62a_100000210303_100000744528 [0,0,0,0,0,0|2,0,2]=4 219 B8R0.7 CCCSCCC(=O)N 62a_100000744528_100000210303 [0,0,0,0,0,0|2,0,2]=4 220 B8R0.7 CCCSCOC(=O)C 62a_100000076356_100000210303 [0,0,0,0,0,0|2,0,1]=3 221 B8R0.7 CCCSCOC(=O)C 62a_100000210303_100000076356 [0,0,0,0,0,0|2,0,1]=3 222 B8R0.7 CCNC/C=C/B(O)O 2230a_100015525214_100016262062 [0,0,0,0,0,0|3,0,1]=4 223 B8R0.7 CCNCCC=C(C)C 2230a_100015525214_100011217483 [0,0,0,0,0,0|2,0,1]=3 224 B8R0.7 CCNCCC=C(F)F 2230a_100015525214_200009816681 [0,0,0,0,0,0|3,0,1]=4 225 B8R0.7 CCNCCCC(=O)N 34a_100000739312_100000210202 [0,0,0,0,0,0|2,0,2]=4 226 B8R0.7 CCNCCCS(=O)C 2230a_200000753449_100000210202 [0,0,0,0,0,0|2,0,2]=4 227 B8R0.7 CCNCCNC(=O)C 2230a_100000209853_100000210202 [0,0,0,0,0,0|2,0,1]=3 228 B8R0.7 CCNCCNC(=O)C 2230a_100015525214_100000189650 [0,0,0,0,0,0|2,0,1]=3 229 B8R0.7 CCNCCNC(=O)N 2230a_100015525214_200000034859 [0,0,0,0,0,0|3,0,1]=4 230 B8R0.7 CCNCCNC(=O)N 34a_100020590234_100000210202 [0,0,0,0,0,0|3,0,1]=4 231 B8R0.7 CCNN=CC=C(C)C 4a_100000756455_100011215525 [0,0,0,0,0,0|3,0,0]=3 232 B8R0.7 CCOC/C=C/B(O)O 34a_100121572206_100016262062 [0,0,0,0,0,0|3,0,1]=4 233 B8R0.7 CCOCCC=C(C)C 34a_100121572206_100011217483 [0,0,0,0,0,0|2,0,1]=3 234 B8R0.7 CCOCCC=C(F)F 34a_100121572206_200009816681 [0,0,0,0,0,0|3,0,1]=4 235 B8R0.7 CCOCCCC(=O)C 1458a_100000070787_100012232248 [0,0,0,0,0,0|1,0,2]=3 236 B8R0.7 CCOCCCC(=O)C 34a_100000759063_100000210202 [0,0,0,0,0,0|1,0,2]=3 237 B8R0.7 CCOCCCC(=O)C 34a_100121572206_100000685027 [0,0,0,0,0,0|1,0,2]=3 238 B8R0.7 CCOCCCC(=O)C 7a_100000759063_100000210202 [0,0,0,0,0,0|1,0,2]=3 239 B8R0.7 CCOCCCC(=O)N 34a_100121572206_100102525003 [0,0,0,0,0,0|2,0,2]=4 240 B8R0.7 CCOCCNC(=O)C 11a_100011200944_100015343762 [0,0,0,0,0,0|2,0,1]=3 241 B8R0.7 CCOCCNC(=O)C 1626a_102516460346_100015343762 [0,0,0,0,0,0|2,0,1]=3 242 B8R0.7 CCOCCNC(=O)C 240690a_100011200944_100015343762 [0,0,0,0,0,0|2,0,1]=3 243 B8R0.7 CCOCCNC(=O)C 34a_100000158858_100000210202 [0,0,0,0,0,0|2,0,1]=3 244 B8R0.7 CCOCCNC(=O)C 527a_100011200944_100103153847 [0,0,0,0,0,0|2,0,1]=3 245 B8R0.7 CCOCCNC(=O)N 34a_100000181757_100000210202 [0,0,0,0,0,0|3,0,1]=4 246 B8R0.7 CCOCCOC(=O)C 34a_100121572206_100009814007 [0,0,0,0,0,0|2,0,1]=3 247 B8R0.7 CCOCCOC(=O)N 34a_100121572206_200011214921 [0,0,0,0,0,0|3,0,1]=4 248 B8R0.7 CCOCCOC(=O)N 7a_100000766696_100000210202 [0,0,0,0,0,0|3,0,1]=4 249 B8R0.7 CCOCNCC(=O)O 269956a_100016091260_100000739092 [0,0,0,0,0,0|3,0,1]=4 250 B8R0.7 CCOCSCC(=O)N 62a_100000739092_100000747473 [0,0,0,0,0,0|3,0,1]=4 251 B8R0.7 CCOCSCC(=O)N 62a_100000747473_100000739092 [0,0,0,0,0,0|3,0,1]=4 252 B8R0.7 CCOCSCC(=O)[O-] 62a_100000739092_100020667443 [0,0,0,0,0,0|3,0,1]=4 253 B8R0.7 CCOCSCC(=O)[O-] 62a_100020667443_100000739092 [0,0,0,0,0,0|3,0,1]=4 254 B8R0.7 CCSC/C=C/B(O)O 62a_100000210202_100016262062 [0,0,0,0,0,0|3,0,1]=4 255 B8R0.7 CCSC/C=C/B(O)O 62a_100016262062_100000210202 [0,0,0,0,0,0|3,0,1]=4 256 B8R0.7 CCSCCC=C(C)C 62a_100000210202_100011217483 [0,0,0,0,0,0|2,0,1]=3 257 B8R0.7 CCSCCC=C(C)C 62a_100011217483_100000210202 [0,0,0,0,0,0|2,0,1]=3 258 B8R0.7 CCSCCC=C(F)F 62a_100000210202_200009816681 [0,0,0,0,0,0|3,0,1]=4 259 B8R0.7 CCSCCC=C(F)F 62a_200009816681_100000210202 [0,0,0,0,0,0|3,0,1]=4 260 B8R0.7 CCSCCCC(=O)C 62a_100000210202_100011215641 [0,0,0,0,0,0|1,0,2]=3 261 B8R0.7 CCSCCCC(=O)C 62a_100011215641_100000210202 [0,0,0,0,0,0|1,0,2]=3 262 B8R0.7 CCSCCCC(=O)N 62a_100000210202_100102525003 [0,0,0,0,0,0|2,0,2]=4 263 B8R0.7 CCSCCCC(=O)N 62a_100102525003_100000210202 [0,0,0,0,0,0|2,0,2]=4 264 B8R0.7 CCSCCNC(=O)C 11a_100000106463_100015343762 [0,0,0,0,0,0|2,0,1]=3 265 B8R0.7 CCSCCNC(=O)C 1626a_100000106463_100015343762 [0,0,0,0,0,0|2,0,1]=3 266 B8R0.7 CCSCCNC(=O)C 240690a_100000106463_100015343762 [0,0,0,0,0,0|2,0,1]=3 267 B8R0.7 CCSCCNC(=O)C 527a_100000106463_100103153847 [0,0,0,0,0,0|2,0,1]=3 268 B8R0.7 CCSCCNC(=O)C 62a_100000189650_100000210202 [0,0,0,0,0,0|2,0,1]=3 269 B8R0.7 CCSCCNC(=O)C 62a_100000210202_100000189650 [0,0,0,0,0,0|2,0,1]=3 270 B8R0.7 CCSCCNC(=O)N 62a_100000210202_200000034859 [0,0,0,0,0,0|3,0,1]=4 271 B8R0.7 CCSCCNC(=O)N 62a_200000034859_100000210202 [0,0,0,0,0,0|3,0,1]=4 272 B8R0.7 CCSCCOC(=O)C 62a_100000210202_100009814007 [0,0,0,0,0,0|2,0,1]=3 273 B8R0.7 CCSCCOC(=O)C 62a_100009814007_100000210202 [0,0,0,0,0,0|2,0,1]=3 274 B8R0.7 CCSCCOC(=O)N 62a_100000210202_200011214921 [0,0,0,0,0,0|3,0,1]=4 275 B8R0.7 CCSCCOC(=O)N 62a_200011214921_100000210202 [0,0,0,0,0,0|3,0,1]=4 276 B8R0.7 CNCCCCC(=O)C 34a_100102657272_100009817362 [0,0,0,0,0,0|1,0,2]=3 277 B8R0.7 CNCCCCC(=O)C 7a_106832991635_100000735457 [0,0,0,0,0,0|1,0,2]=3 278 B8R0.7 CNCCCCC(=O)N 34a_100000696515_200000210301 [0,0,0,0,0,0|2,0,2]=4 279 B8R0.7 CNCCCNC(=O)C 34a_100000736810_200000210301 [0,0,0,0,0,0|2,0,1]=3 280 B8R0.7 CNCCCOC(=O)C 34a_100102657272_100000042594 [0,0,0,0,0,0|2,0,1]=3 281 B8R0.7 CNCCCOC(=O)C 7a_106832991635_100000042594 [0,0,0,0,0,0|2,0,1]=3 282 B8R0.7 CNCCCOC(=S)C 2230a_106832991635_200135323944 [0,0,0,0,0,0|2,1,1]=4 283 B8R0.7 CNCCCOC(=S)C 34a_100102657272_200135323944 [0,0,0,0,0,0|2,1,1]=4 284 B8R0.7 CNCCCOC(=S)C 7a_106832991635_200135323944 [0,0,0,0,0,0|2,1,1]=4 285 B8R0.7 CNCCCSC(=O)C 2230a_106832991635_100000038929 [0,0,0,0,0,0|2,0,1]=3 286 B8R0.7 CNCCCSC(=O)C 34a_100102657272_100000038929 [0,0,0,0,0,0|2,0,1]=3 287 B8R0.7 CNCCCSC(=O)C 7a_106832991635_100000038929 [0,0,0,0,0,0|2,0,1]=3 288 B8R0.7 CNCCOCC(=O)N 2230a_106832991635_100000076697 [0,0,0,0,0,0|3,0,1]=4 289 B8R0.7 CNCCOCC(=O)N 34a_100102657272_100000076697 [0,0,0,0,0,0|3,0,1]=4 290 B8R0.7 CNCCOCC(=O)N 7a_106832991635_100000076697 [0,0,0,0,0,0|3,0,1]=4 291 B8R0.7 CNCCOCC(=O)O 269956a_100000700818_200000210301 [0,0,0,0,0,0|3,0,1]=4 292 B8R0.7 COCCCCC(=O)C 1458a_100000070787_100000755781 [0,0,0,0,0,0|1,0,2]=3 293 B8R0.7 COCCCCC(=O)C 34a_100138415774_100009817362 [0,0,0,0,0,0|1,0,2]=3 294 B8R0.7 COCCCCC(=O)N 34a_100012022536_200000210301 [0,0,0,0,0,0|2,0,2]=4 295 B8R0.7 COCCCCC(=O)N 7a_100012022536_200000210301 [0,0,0,0,0,0|2,0,2]=4 296 B8R0.7 COCCCNC(=O)C 1626a_100150723488_100015343762 [0,0,0,0,0,0|2,0,1]=3 297 B8R0.7 COCCCNC(=O)C 240690a_100150723488_100015343762 [0,0,0,0,0,0|2,0,1]=3 298 B8R0.7 COCCCNC(=O)C 34a_100000752032_200000210301 [0,0,0,0,0,0|2,0,1]=3 299 B8R0.7 COCCCNC(=O)C 527a_100150723488_100103153847 [0,0,0,0,0,0|2,0,1]=3 300 B8R0.7 COCCCOC(=O)C 34a_100138415774_100000042594 [0,0,0,0,0,0|2,0,1]=3 301 B8R0.7 COCCCOC(=S)C 34a_100138415774_200135323944 [0,0,0,0,0,0|2,1,1]=4 302 B8R0.7 COCCCSC(=O)C 34a_100138415774_100000038929 [0,0,0,0,0,0|2,0,1]=3 303 B8R0.7 COCCNCC(=O)N 2230a_100000209980_100000747473 [0,0,0,0,0,0|3,0,1]=4 304 B8R0.7 COCCNCC(=O)N 2230a_100000711301_100011201679 [0,0,0,0,0,0|3,0,1]=4 305 B8R0.7 COCCNCC(=O)O 269956a_100016091260_100000233755 [0,0,0,0,0,0|3,0,1]=4 306 B8R0.7 COCCNNC(=O)C 22a_100000741390_100000070787 [0,0,0,0,0,0|3,0,0]=3 307 B8R0.7 COCCOCC(=O)C 1458a_100000211095_200000210301 [0,0,0,0,0,0|2,0,1]=3 308 B8R0.7 COCCOCC(=O)C 34a_100000211253_100011201679 [0,0,0,0,0,0|2,0,1]=3 309 B8R0.7 COCCOCC(=O)N 34a_100000210237_100000187820 [0,0,0,0,0,0|3,0,1]=4 310 B8R0.7 COCCOCC(=O)N 34a_100138415774_100000076697 [0,0,0,0,0,0|3,0,1]=4 311 B8R0.7 COCCOCC(=O)[13CH3] 1458a_100000211095_200025704644 [0,0,0,0,0,0|2,0,1]=3 312 B8R0.7 COCCOCC(=O)[O-] 34a_100000210237_100020667443 [0,0,0,0,0,0|3,0,1]=4 313 B8R0.7 COCCSCC(=O)N 62a_100000233755_100000747473 [0,0,0,0,0,0|3,0,1]=4 314 B8R0.7 COCCSCC(=O)N 62a_100000747473_100000233755 [0,0,0,0,0,0|3,0,1]=4 315 B8R0.7 COCCSCC(=O)[O-] 62a_100000233755_100020667443 [0,0,0,0,0,0|3,0,1]=4 316 B8R0.7 COCCSCC(=O)[O-] 62a_100020667443_100000233755 [0,0,0,0,0,0|3,0,1]=4 317 B8R0.7 COCSCC=C(C)C 62a_100000761012_100000766300 [0,0,0,0,0,0|3,0,1]=4 318 B8R0.7 COCSCC=C(C)C 62a_100000766300_100000761012 [0,0,0,0,0,0|3,0,1]=4 319 B8R0.7 COCSCCC(=O)C 62a_100000053229_100000766300 [0,0,0,0,0,0|2,0,2]=4 320 B8R0.7 COCSCCC(=O)C 62a_100000766300_100000053229 [0,0,0,0,0,0|2,0,2]=4 321 B8R0.7 COCSCOC(=O)C 62a_100000076356_100000766300 [0,0,0,0,0,0|3,0,1]=4 322 B8R0.7 COCSCOC(=O)C 62a_100000766300_100000076356 [0,0,0,0,0,0|3,0,1]=4 323 B8R0.7 CSCCCCC(=O)C 62a_100000735457_200000210301 [0,0,0,0,0,0|1,0,2]=3 324 B8R0.7 CSCCCCC(=O)C 62a_200000210301_100000735457 [0,0,0,0,0,0|1,0,2]=3 325 B8R0.7 CSCCCNC(=O)C 11a_100000749238_100015343762 [0,0,0,0,0,0|2,0,1]=3 326 B8R0.7 CSCCCNC(=O)C 1626a_100000749238_100015343762 [0,0,0,0,0,0|2,0,1]=3 327 B8R0.7 CSCCCNC(=O)C 240690a_100000749238_100015343762 [0,0,0,0,0,0|2,0,1]=3 328 B8R0.7 CSCCCNC(=O)C 527a_100000749238_100103153847 [0,0,0,0,0,0|2,0,1]=3 329 B8R0.7 CSCCCOC(=O)C 62a_100000042594_200000210301 [0,0,0,0,0,0|2,0,1]=3 330 B8R0.7 CSCCCOC(=O)C 62a_200000210301_100000042594 [0,0,0,0,0,0|2,0,1]=3 331 B8R0.7 CSCCCOC(=S)C 62a_200000210301_200135323944 [0,0,0,0,0,0|2,1,1]=4 332 B8R0.7 CSCCCOC(=S)C 62a_200135323944_200000210301 [0,0,0,0,0,0|2,1,1]=4 333 B8R0.7 CSCCCSC(=O)C 62a_100000038929_200000210301 [0,0,0,0,0,0|2,0,1]=3 334 B8R0.7 CSCCCSC(=O)C 62a_200000210301_100000038929 [0,0,0,0,0,0|2,0,1]=3 335 B8R0.7 CSCCNCC(=O)N 2230a_100000711301_100000751147 [0,0,0,0,0,0|3,0,1]=4 336 B8R0.7 CSCCNCC(=O)N 2230a_100020590264_100000747473 [0,0,0,0,0,0|3,0,1]=4 337 B8R0.7 CSCCNCC(=O)O 269956a_100016091260_100000212216 [0,0,0,0,0,0|3,0,1]=4 338 B8R0.7 CSCCOCC(=O)C 34a_100000211253_100000212216 [0,0,0,0,0,0|2,0,1]=3 339 B8R0.7 CSCCOCC(=O)N 34a_100000230434_100000187820 [0,0,0,0,0,0|3,0,1]=4 340 B8R0.7 CSCCOCC(=O)N 62a_100000076697_200000210301 [0,0,0,0,0,0|3,0,1]=4 341 B8R0.7 CSCCOCC(=O)N 62a_200000210301_100000076697 [0,0,0,0,0,0|3,0,1]=4 342 B8R0.7 CSCCOCC(=O)N 7a_100000230434_100000187820 [0,0,0,0,0,0|3,0,1]=4 343 B8R0.7 CSCCOCC(=O)[O-] 34a_100000230434_100020667443 [0,0,0,0,0,0|3,0,1]=4 344 B8R0.7 CSCCSCC(=O)N 62a_100000212216_100000747473 [0,0,0,0,0,0|3,0,1]=4 345 B8R0.7 CSCCSCC(=O)N 62a_100000747473_100000751147 [0,0,0,0,0,0|3,0,1]=4 346 B8R0.7 CSCCSCC(=O)[O-] 62a_100000212216_100020667443 [0,0,0,0,0,0|3,0,1]=4 347 B8R0.7 CSCCSCC(=O)[O-] 62a_100020667443_100000751147 [0,0,0,0,0,0|3,0,1]=4 348 B8R0.7 CSCNCC=C(C)C 34a_100000718196_100011218213 [0,0,0,0,0,0|3,0,1]=4 349 B8R0.7 CSCOCC=C(C)C 34a_100000753907_100011218213 [0,0,0,0,0,0|3,0,1]=4 350 B8R0.7 CSCOCCC(=O)C 34a_100000759926_100011218213 [0,0,0,0,0,0|2,0,2]=4 351 B8R0.7 CSCSCC=C(C)C 62a_100000761012_100011218213 [0,0,0,0,0,0|3,0,1]=4 352 B8R0.7 CSCSCC=C(C)C 62a_100011218213_100000761012 [0,0,0,0,0,0|3,0,1]=4 353 B8R0.7 CSCSCCC(=O)C 62a_100000053229_100011218213 [0,0,0,0,0,0|2,0,2]=4 354 B8R0.7 CSCSCCC(=O)C 62a_100011218213_100000053229 [0,0,0,0,0,0|2,0,2]=4 355 B8R0.7 CSCSCOC(=O)C 62a_100000076356_100011218213 [0,0,0,0,0,0|3,0,1]=4 356 B8R0.7 CSCSCOC(=O)C 62a_100011218213_100000076356 [0,0,0,0,0,0|3,0,1]=4 357 B8R0.7 NC(=O)CNCCCF 2230a_100000711301_100011934791 [0,0,0,0,0,0|3,0,1]=4 358 B8R0.7 NC(=O)CNCCCF 2230a_100015189416_100000747473 [0,0,0,0,0,0|3,0,1]=4 359 B8R0.7 NC(=O)CNCCCF 34a_100015189416_100000187820 [0,0,0,0,0,0|3,0,1]=4 360 B8R0.7 NC(=O)CNCCCO 2230a_100000711301_100000230001 [0,0,0,0,0,0|3,0,1]=4 361 B8R0.7 NC(=O)COCCCBr 34a_100011217188_100000187820 [0,0,0,0,0,0|3,0,1]=4 362 B8R0.7 NC(=O)COCCCCl 34a_100000230001_100000187820 [0,0,0,0,0,0|3,0,1]=4 363 B8R0.7 NC(=O)COCCCF 34a_100000759539_100000187820 [0,0,0,0,0,0|3,0,1]=4 364 B8R0.7 NC(=O)CSCCCF 62a_100000747473_100011934791 [0,0,0,0,0,0|3,0,1]=4 365 B8R0.7 NC(=O)CSCCCF 62a_100011934791_100000747473 [0,0,0,0,0,0|3,0,1]=4 366 B8R0.7 NC(=O)CSCCCO 62a_100000747473_100011215043 [0,0,0,0,0,0|3,0,1]=4 367 B8R0.7 NC(=O)CSCCCO 62a_100011215043_100000747473 [0,0,0,0,0,0|3,0,1]=4 368 B8R0.7 NCCCOCC(=O)N 34a_100000182051_100000187820 [0,0,0,0,0,0|3,0,1]=4 369 B8R0.7 NCCCOCC(=O)[O-] 34a_100000182051_100020667443 [0,0,0,0,0,0|3,0,1]=4 370 B8R0.7 O=C(O)CNCCCF 269956a_100016091260_100011934791 [0,0,0,0,0,0|3,0,1]=4 371 B8R0.7 O=C(O)CNCCCO 269956a_100016091260_100011215043 [0,0,0,0,0,0|3,0,1]=4 372 B8R0.7 O=C([O-])CNCCCF 34a_100015189416_100020667443 [0,0,0,0,0,0|3,0,1]=4 373 B8R0.7 O=C([O-])COCCCBr 34a_100011217188_100020667443 [0,0,0,0,0,0|3,0,1]=4 374 B8R0.7 O=C([O-])COCCCCl 34a_100000230001_100020667443 [0,0,0,0,0,0|3,0,1]=4 375 B8R0.7 O=C([O-])COCCCF 34a_100000759539_100020667443 [0,0,0,0,0,0|3,0,1]=4 376 B8R0.7 O=C([O-])CSCCCF 62a_100011934791_100020667443 [0,0,0,0,0,0|3,0,1]=4 377 B8R0.7 O=C([O-])CSCCCF 62a_100020667443_100011934791 [0,0,0,0,0,0|3,0,1]=4 378 B8R0.7 O=C([O-])CSCCCO 62a_100011215043_100020667443 [0,0,0,0,0,0|3,0,1]=4 379 B8R0.7 O=C([O-])CSCCCO 62a_100020667443_100011215043 [0,0,0,0,0,0|3,0,1]=4 380 B8R0.7 [13CH3]C(=O)CCCCCO 1458a_100102619762_200025704644 [0,0,0,0,0,0|1,0,2]=3 381 B8R0.7 [13CH3]C(=O)CCOCCO 1458a_100011229844_200025704644 [0,0,0,0,0,0|2,0,2]=4 382 B8R0.7 [13CH3]NCCCCC(=O)N 34a_100000696515_200025704644 [0,0,0,0,0,0|2,0,2]=4 383 B8R0.7 [13CH3]NCCOCC(=O)O 269956a_100000700818_200025704644 [0,0,0,0,0,0|3,0,1]=4 384 B8R0.7 [13CH3]OCCCCC(=O)N 34a_100012022536_200025704644 [0,0,0,0,0,0|2,0,2]=4 385 B8R0.7 [13CH3]OCCCCC(=O)N 7a_100012022536_200025704644 [0,0,0,0,0,0|2,0,2]=4 386 B8R0.7 [13CH3]SCCOCC(=O)N 62a_100000076697_200025704644 [0,0,0,0,0,0|3,0,1]=4 387 B8R0.7 [13CH3]SCCOCC(=O)N 62a_200025704644_100000076697 [0,0,0,0,0,0|3,0,1]=4 388 B7R0.1 C/C=C/C=C/COC 34a_100016283227_200000210301 [1,0,0,0,0,0|1,0,1]=3 389 B7R0.1 C/C=C/C=C/CO[13CH3] 34a_100016283227_200025704644 [1,0,0,0,0,0|1,0,1]=3 390 B7R0.1 C/C=C/CCOCC 34a_100016278192_100000210202 [1,0,0,0,0,0|1,0,1]=3 391 B7R0.1 C/C=C/CCOCF 34a_100016278192_100015361967 [1,0,0,0,0,0|2,0,1]=4 392 B7R0.1 C/C=C/CNCCF 34a_100000724931_100102629194 [1,0,0,0,0,0|2,0,1]=4 393 B7R0.1 C/C=C/CNCCO 34a_100016990907_100102629194 [1,0,0,0,0,0|2,0,1]=4 394 B7R0.1 C/C=C/COCCBr 34a_100000211926_100102629194 [1,0,0,0,0,0|2,0,1]=4 395 B7R0.1 C/C=C/COCCC 34a_100000210258_100102629194 [1,0,0,0,0,0|1,0,1]=3 396 B7R0.1 C/C=C/COCCC 34a_100016270725_100000210303 [1,0,0,0,0,0|1,0,1]=3 397 B7R0.1 C/C=C/COCCF 34a_100016270725_100011217306 [1,0,0,0,0,0|2,0,1]=4 398 B7R0.1 C/C=C/COCCN 34a_100000210304_100102629194 [1,0,0,0,0,0|2,0,1]=4 399 B7R0.1 C/C=C/COCCO 34a_100016270725_100000211926 [1,0,0,0,0,0|2,0,1]=4 400 B7R0.1 C/C=C/COCSC 34a_100016270725_100011218213 [1,0,0,0,0,0|2,0,1]=4 401 B7R0.1 C/C=C/CSCCC 62a_100000210303_100102629194 [1,0,0,0,0,0|1,0,1]=3 402 B7R0.1 C/C=C/CSCCC 62a_100102629194_100000210303 [1,0,0,0,0,0|1,0,1]=3 403 B7R0.1 C/C=C/CSCCF 62a_100011217306_100102629194 [1,0,0,0,0,0|2,0,1]=4 404 B7R0.1 C/C=C/CSCCF 62a_100102629194_100011217306 [1,0,0,0,0,0|2,0,1]=4 405 B7R0.1 C/C=C/CSCCO 62a_100000211926_100102629194 [1,0,0,0,0,0|2,0,1]=4 406 B7R0.1 C/C=C/CSCCO 62a_100102629194_100000211926 [1,0,0,0,0,0|2,0,1]=4 407 B7R0.1 C/C=C/CSCOC 62a_100000766300_100102629194 [1,0,0,0,0,0|2,0,1]=4 408 B7R0.1 C/C=C/CSCOC 62a_100102629194_100000766300 [1,0,0,0,0,0|2,0,1]=4 409 B7R0.1 C/C=C/CSCSC 62a_100011218213_100102629194 [1,0,0,0,0,0|2,0,1]=4 410 B7R0.1 C/C=C/CSCSC 62a_100102629194_100011218213 [1,0,0,0,0,0|2,0,1]=4 411 B7R0.1 C=CCNCCCC 2230a_100000102301_100000210623 [1,0,0,0,0,0|1,0,2]=4 412 B7R0.1 C=CCNCCCC 2230a_100020586998_100000210211 [1,0,0,0,0,0|1,0,2]=4 413 B7R0.1 C=CCNCCCC 7a_106832991798_100015514636 [1,0,0,0,0,0|1,0,2]=4 414 B7R0.1 C=CCOCCCC 34a_100000210227_100015514636 [1,0,0,0,0,0|1,0,2]=4 415 B7R0.1 C=CCOCCCC 34a_200000210373_100000210210 [1,0,0,0,0,0|1,0,2]=4 416 B7R0.1 C=CCOCCCC 7a_100000210227_100015514636 [1,0,0,0,0,0|1,0,2]=4 417 B7R0.1 C=CCSCCCC 62a_100000210211_100000210623 [1,0,0,0,0,0|1,0,2]=4 418 B7R0.1 C=CCSCCCC 62a_100000210623_100000210210 [1,0,0,0,0,0|1,0,2]=4 419 B7R0.1 CC/C=C\CCNC 2230a_106832991635_100015370543 [1,0,0,0,0,0|1,0,1]=3 420 B7R0.1 CC/C=C\CCNC 34a_100102657272_100015370543 [1,0,0,0,0,0|1,0,1]=3 421 B7R0.1 CC/C=C\CCNC 7a_106832991635_100015370543 [1,0,0,0,0,0|1,0,1]=3 422 B7R0.1 CC/C=C\CCOC 34a_100016288707_200000210301 [1,0,0,0,0,0|1,0,1]=3 423 B7R0.1 CC/C=C\CCOC 34a_100138415774_100015370543 [1,0,0,0,0,0|1,0,1]=3 424 B7R0.1 CC/C=C\CCOC 7a_100016288707_200000210301 [1,0,0,0,0,0|1,0,1]=3 425 B7R0.1 CC/C=C\CCO[13CH3] 34a_100016288707_200025704644 [1,0,0,0,0,0|1,0,1]=3 426 B7R0.1 CC/C=C\CCO[13CH3] 7a_100016288707_200025704644 [1,0,0,0,0,0|1,0,1]=3 427 B7R0.1 CC/C=C\CCSC 62a_100015370543_200000210301 [1,0,0,0,0,0|1,0,1]=3 428 B7R0.1 CC/C=C\CCSC 62a_200000210301_100015370543 [1,0,0,0,0,0|1,0,1]=3 429 B7R0.1 CC/C=C\CCS[13CH3] 62a_100015370543_200025704644 [1,0,0,0,0,0|1,0,1]=3 430 B7R0.1 CC/C=C\CCS[13CH3] 62a_200025704644_100015370543 [1,0,0,0,0,0|1,0,1]=3 431 B7R0.1 CC/C=C\CNCC 2230a_100015525214_100103147603 [1,0,0,0,0,0|1,0,1]=3 432 B7R0.1 CC/C=C\COCC 34a_100016268518_100000210202 [1,0,0,0,0,0|1,0,1]=3 433 B7R0.1 CC/C=C\COCC 34a_100121572206_100103147603 [1,0,0,0,0,0|1,0,1]=3 434 B7R0.1 CC/C=C\COCF 34a_100016268518_100015361967 [1,0,0,0,0,0|2,0,1]=4 435 B7R0.1 CC/C=C\CSCC 62a_100000210202_100103147603 [1,0,0,0,0,0|1,0,1]=3 436 B7R0.1 CC/C=C\CSCC 62a_100103147603_100000210202 [1,0,0,0,0,0|1,0,1]=3 437 B7R0.1 CC/C=C\CSCF 62a_100015361967_100103147603 [1,0,0,0,0,0|2,0,1]=4 438 B7R0.1 CC/C=C\CSCF 62a_100103147603_100015361967 [1,0,0,0,0,0|2,0,1]=4 439 B7R0.1 CC=C=CCCOC 34a_100011020354_200000210301 [1,0,0,0,0,0|1,0,1]=3 440 B7R0.1 CC=C=CCCO[13CH3] 34a_100011020354_200025704644 [1,0,0,0,0,0|1,0,1]=3 441 B7R0.1 CC=CCCCOC 34a_100020645299_200000210301 [1,0,0,0,0,0|1,0,1]=3 442 B7R0.1 CC=CCCCO[13CH3] 34a_100020645299_200025704644 [1,0,0,0,0,0|1,0,1]=3 443 B7R0.1 CC=CCNCCF 34a_100000724931_100000070051 [1,0,0,0,0,0|2,0,1]=4 444 B7R0.1 CC=CCNCCO 2230a_100016997473_100000070051 [1,0,0,0,0,0|2,0,1]=4 445 B7R0.1 CC=CCNCCO 34a_100016990907_100000070051 [1,0,0,0,0,0|2,0,1]=4 446 B7R0.1 CC=CCOCCBr 34a_100000211926_100000070051 [1,0,0,0,0,0|2,0,1]=4 447 B7R0.1 CC=CCOCCC 34a_100000210258_100000070051 [1,0,0,0,0,0|1,0,1]=3 448 B7R0.1 CC=CCOCCN 34a_100000210304_100000070051 [1,0,0,0,0,0|2,0,1]=4 449 B7R0.1 CC=CCSCCC 62a_100000070051_100000210303 [1,0,0,0,0,0|1,0,1]=3 450 B7R0.1 CC=CCSCCC 62a_100000210303_100000070051 [1,0,0,0,0,0|1,0,1]=3 451 B7R0.1 CC=CCSCCF 62a_100000070051_100011217306 [1,0,0,0,0,0|2,0,1]=4 452 B7R0.1 CC=CCSCCF 62a_100011217306_100000070051 [1,0,0,0,0,0|2,0,1]=4 453 B7R0.1 CC=CCSCCO 62a_100000070051_100000211926 [1,0,0,0,0,0|2,0,1]=4 454 B7R0.1 CC=CCSCCO 62a_100000211926_100000070051 [1,0,0,0,0,0|2,0,1]=4 455 B7R0.1 CC=CCSCOC 62a_100000070051_100000766300 [1,0,0,0,0,0|2,0,1]=4 456 B7R0.1 CC=CCSCOC 62a_100000766300_100000070051 [1,0,0,0,0,0|2,0,1]=4 457 B7R0.1 CC=CCSCSC 62a_100000070051_100011218213 [1,0,0,0,0,0|2,0,1]=4 458 B7R0.1 CC=CCSCSC 62a_100011218213_100000070051 [1,0,0,0,0,0|2,0,1]=4 459 B7R0.1 CC=NNCCCC 4a_100025702795_200000210099 [1,0,0,0,0,0|2,0,0]=3 460 B7R0.1 CCC/C=C/COC 34a_100016278788_200000210301 [1,0,0,0,0,0|1,0,2]=4 461 B7R0.1 CCC/C=C/COC 7a_100016278788_200000210301 [1,0,0,0,0,0|1,0,2]=4 462 B7R0.1 CCC/C=C/CO[13CH3] 34a_100016278788_200025704644 [1,0,0,0,0,0|1,0,2]=4 463 B7R0.1 CCC/C=C/CO[13CH3] 7a_100016278788_200025704644 [1,0,0,0,0,0|1,0,2]=4 464 B7R0.1 CCC=NNCCC 4a_100000740057_100000210100 [1,0,0,0,0,0|2,0,1]=4 465 B7R0.1 CCCCCCNC 2230a_100000210581_200000210301 [1,0,0,0,0,0|1,0,2]=4 466 B7R0.1 CCCCCCNC 2230a_106832991635_100000210314 [1,0,0,0,0,0|1,0,2]=4 467 B7R0.1 CCCCCCNC 34a_100102657272_100000210314 [1,0,0,0,0,0|1,0,2]=4 468 B7R0.1 CCCCCCNC 7a_106832991635_100000210314 [1,0,0,0,0,0|1,0,2]=4 469 B7R0.1 CCCCCCN[13CH3] 2230a_100000210581_200025704644 [1,0,0,0,0,0|1,0,2]=4 470 B7R0.1 CCCCCCOC 34a_100000210259_200000210301 [1,0,0,0,0,0|1,0,2]=4 471 B7R0.1 CCCCCCOC 34a_100138415774_100000210314 [1,0,0,0,0,0|1,0,2]=4 472 B7R0.1 CCCCCCOC 7a_100000210259_200000210301 [1,0,0,0,0,0|1,0,2]=4 473 B7R0.1 CCCCCCO[13CH3] 34a_100000210259_200025704644 [1,0,0,0,0,0|1,0,2]=4 474 B7R0.1 CCCCCCO[13CH3] 7a_100000210259_200025704644 [1,0,0,0,0,0|1,0,2]=4 475 B7R0.1 CCCCCCSC 62a_100000210314_200000210301 [1,0,0,0,0,0|1,0,2]=4 476 B7R0.1 CCCCCCSC 62a_200000210301_100000210757 [1,0,0,0,0,0|1,0,2]=4 477 B7R0.1 CCCCCCS[13CH3] 62a_100000210314_200025704644 [1,0,0,0,0,0|1,0,2]=4 478 B7R0.1 CCCCCCS[13CH3] 62a_200025704644_100000210757 [1,0,0,0,0,0|1,0,2]=4 479 B7R0.1 CCCCCNCC 2230a_100000209983_100000210202 [1,0,0,0,0,0|1,0,2]=4 480 B7R0.1 CCCCCNCC 2230a_100015525214_100000210326 [1,0,0,0,0,0|1,0,2]=4 481 B7R0.1 CCCCCOCC 34a_100000210253_100000210202 [1,0,0,0,0,0|1,0,2]=4 482 B7R0.1 CCCCCOCC 34a_100121572206_100000718602 [1,0,0,0,0,0|1,0,2]=4 483 B7R0.1 CCCCCOCC 7a_100000210253_100000210202 [1,0,0,0,0,0|1,0,2]=4 484 B7R0.1 CCCCCSCC 62a_100000210202_100000210326 [1,0,0,0,0,0|1,0,2]=4 485 B7R0.1 CCCCCSCC 62a_100000210326_100000210202 [1,0,0,0,0,0|1,0,2]=4 486 B7R0.1 CCCCNCC=O 2230a_100000102301_200015260668 [1,0,0,0,0,0|1,0,1]=3 487 B7R0.1 CCCCNCC=O 7a_106832991798_200015260668 [1,0,0,0,0,0|1,0,1]=3 488 B7R0.1 CCCCNCCC 2230a_100000102301_100000210303 [1,0,0,0,0,0|1,0,2]=4 489 B7R0.1 CCCCNCCC 7a_106832991798_100000210303 [1,0,0,0,0,0|1,0,2]=4 490 B7R0.1 CCCCNCOC 2230a_100000102301_100000766300 [1,0,0,0,0,0|2,0,1]=4 491 B7R0.1 CCCCNCSC 2230a_100000102301_100011218213 [1,0,0,0,0,0|2,0,1]=4 492 B7R0.1 CCCCOCC=O 34a_100000210227_200009817547 [1,0,0,0,0,0|1,0,1]=3 493 B7R0.1 CCCCOCC=O 7a_100000210227_200015260668 [1,0,0,0,0,0|1,0,1]=3 494 B7R0.1 CCCCOCCC 34a_100000210227_100000210303 [1,0,0,0,0,0|1,0,2]=4 495 B7R0.1 CCCCOCCC 34a_100000210258_100000210210 [1,0,0,0,0,0|1,0,2]=4 496 B7R0.1 CCCCOCCC 7a_100000210227_100000210303 [1,0,0,0,0,0|1,0,2]=4 497 B7R0.1 CCCCOCNC 2230a_106832991635_100011995733 [1,0,0,0,0,0|2,0,1]=4 498 B7R0.1 CCCCOCNC 34a_100102657272_100011995733 [1,0,0,0,0,0|2,0,1]=4 499 B7R0.1 CCCCOCOC 34a_100138415774_100011995733 [1,0,0,0,0,0|2,0,1]=4 500 B7R0.1 CCCCOCSC 34a_100000210227_100011218213 [1,0,0,0,0,0|2,0,1]=4 501 B7R0.1 CCCCOCSC 62a_100011995733_200000210301 [1,0,0,0,0,0|2,0,1]=4 502 B7R0.1 CCCCOCSC 62a_200000210301_100011995733 [1,0,0,0,0,0|2,0,1]=4 503 B7R0.1 CCCCOCS[13CH3] 62a_100011995733_200025704644 [1,0,0,0,0,0|2,0,1]=4 504 B7R0.1 CCCCOCS[13CH3] 62a_200025704644_100011995733 [1,0,0,0,0,0|2,0,1]=4 505 B7R0.1 CCCCSCC=O 62a_100000210211_200015260668 [1,0,0,0,0,0|1,0,1]=3 506 B7R0.1 CCCCSCC=O 62a_200015260668_100000210210 [1,0,0,0,0,0|1,0,1]=3 507 B7R0.1 CCCCSCCC 62a_100000210211_100000210303 [1,0,0,0,0,0|1,0,2]=4 508 B7R0.1 CCCCSCCC 62a_100000210303_100000210210 [1,0,0,0,0,0|1,0,2]=4 509 B7R0.1 CCCCSCOC 62a_100000210211_100000766300 [1,0,0,0,0,0|2,0,1]=4 510 B7R0.1 CCCCSCOC 62a_100000766300_100000210210 [1,0,0,0,0,0|2,0,1]=4 511 B7R0.1 CCCCSCSC 62a_100000210211_100011218213 [1,0,0,0,0,0|2,0,1]=4 512 B7R0.1 CCCCSCSC 62a_100011218213_100000210210 [1,0,0,0,0,0|2,0,1]=4 513 B7R0.1 CCNCCCC=O 2230a_100015525214_200011292268 [1,0,0,0,0,0|1,0,2]=4 514 B7R0.1 CCOCSCC=O 62a_100000739092_200015260668 [1,0,0,0,0,0|2,0,1]=4 515 B7R0.1 CCOCSCC=O 62a_200015260668_100000739092 [1,0,0,0,0,0|2,0,1]=4 516 B7R0.1 CCSCCCC=O 62a_100000210202_200011292268 [1,0,0,0,0,0|1,0,2]=4 517 B7R0.1 CCSCCCC=O 62a_200011292268_100000210202 [1,0,0,0,0,0|1,0,2]=4 518 B7R0.1 CNCCCCC=O 2230a_106832991635_100000139335 [1,0,0,0,0,0|1,0,2]=4 519 B7R0.1 CNCCCCC=O 7a_106832991635_100000139335 [1,0,0,0,0,0|1,0,2]=4 520 B7R0.1 COCCNCC=O 2230a_100000209980_200015260668 [1,0,0,0,0,0|2,0,1]=4 521 B7R0.1 COCCOCC=O 34a_100000210237_200009817547 [1,0,0,0,0,0|2,0,1]=4 522 B7R0.1 COCCSCC=O 62a_100000233755_200015260668 [1,0,0,0,0,0|2,0,1]=4 523 B7R0.1 COCCSCC=O 62a_200015260668_100000233755 [1,0,0,0,0,0|2,0,1]=4 524 B7R0.1 CSCCCCC=O 62a_100000139335_200000210301 [1,0,0,0,0,0|1,0,2]=4 525 B7R0.1 CSCCCCC=O 62a_200000210301_100000139335 [1,0,0,0,0,0|1,0,2]=4 526 B7R0.1 CSCCNCC=O 2230a_100020590264_200015260668 [1,0,0,0,0,0|2,0,1]=4 527 B7R0.1 CSCCOCC=O 34a_100000230434_200009817547 [1,0,0,0,0,0|2,0,1]=4 528 B7R0.1 CSCCOCC=O 7a_100000230434_200015260668 [1,0,0,0,0,0|2,0,1]=4 529 B7R0.1 CSCCSCC=O 62a_100000212216_200015260668 [1,0,0,0,0,0|2,0,1]=4 530 B7R0.1 CSCCSCC=O 62a_200015260668_100000751147 [1,0,0,0,0,0|2,0,1]=4 531 B7R0.1 NCCCOCC=O 34a_100000182051_200009817547 [1,0,0,0,0,0|2,0,1]=4 532 B7R0.1 O=CCNCCCF 2230a_100015189416_200015260668 [1,0,0,0,0,0|2,0,1]=4 533 B7R0.1 O=CCNCCCF 34a_100015189416_200009817547 [1,0,0,0,0,0|2,0,1]=4 534 B7R0.1 O=CCOCCCBr 34a_100011217188_200009817547 [1,0,0,0,0,0|2,0,1]=4 535 B7R0.1 O=CCOCCCCl 34a_100000230001_200009817547 [1,0,0,0,0,0|2,0,1]=4 536 B7R0.1 O=CCOCCCF 34a_100000759539_200009817547 [1,0,0,0,0,0|2,0,1]=4 537 B7R0.1 O=CCSCCCF 62a_100011934791_200015260668 [1,0,0,0,0,0|2,0,1]=4 538 B7R0.1 O=CCSCCCF 62a_200015260668_100011934791 [1,0,0,0,0,0|2,0,1]=4 539 B7R0.1 O=CCSCCCO 62a_100011215043_200015260668 [1,0,0,0,0,0|2,0,1]=4 540 B7R0.1 O=CCSCCCO 62a_200015260668_100011215043 [1,0,0,0,0,0|2,0,1]=4 541 B7R0.1 [13CH3]SCCCCC=O 62a_100000139335_200025704644 [1,0,0,0,0,0|1,0,2]=4 542 B7R0.1 [13CH3]SCCCCC=O 62a_200025704644_100000139335 [1,0,0,0,0,0|1,0,2]=4 543 B7R0.4 C#CCCCC(=O)C 1458a_100000070787_100000731252 [1,0,0,0,0,0|0,0,3]=4 544 B7R0.4 C#CCCCC(=O)C 1458a_100000690238_200000210301 [1,0,0,0,0,0|0,0,3]=4 545 B7R0.4 C#CCCCC(=O)[13CH3] 1458a_100000690238_200025704644 [1,0,0,0,0,0|0,0,3]=4 546 B7R0.4 C#CCCNC(=O)C 11a_100000755551_100015343762 [1,0,0,0,0,0|1,0,2]=4 547 B7R0.4 C#CCCNC(=O)C 1626a_100000755551_100015343762 [1,0,0,0,0,0|1,0,2]=4 548 B7R0.4 C#CCCNC(=O)C 240690a_100000755551_100015343762 [1,0,0,0,0,0|1,0,2]=4 549 B7R0.4 C#CCCNC(=O)C 527a_100000755551_100103153847 [1,0,0,0,0,0|1,0,2]=4 550 B7R0.4 C/C=C/C=CC(=O)C 1458a_100000185730_200000210301 [1,0,0,0,0,0|0,0,2]=3 551 B7R0.4 C/C=C/C=CC(=O)[13CH3] 1458a_100000185730_200025704644 [1,0,0,0,0,0|0,0,2]=3 552 B7R0.4 C=C(C)C=NNCC 4a_100000756455_100000210575 [1,0,0,0,0,0|3,0,0]=4 553 B7R0.4 C=C(C)CCNCC 2230a_100015525214_100000730704 [1,0,0,0,0,0|2,0,1]=4 554 B7R0.4 C=C(C)CCOCC 34a_100000764851_100000210202 [1,0,0,0,0,0|2,0,1]=4 555 B7R0.4 C=C(C)CCOCC 34a_100121572206_100000730704 [1,0,0,0,0,0|2,0,1]=4 556 B7R0.4 C=C(C)CCSCC 62a_100000210202_100000730704 [1,0,0,0,0,0|2,0,1]=4 557 B7R0.4 C=C(C)CCSCC 62a_100000730704_100000210202 [1,0,0,0,0,0|2,0,1]=4 558 B7R0.4 C=C(C)COCCC 34a_100000210245_100000210303 [1,0,0,0,0,0|2,0,1]=4 559 B7R0.4 C=C(C)COCCC 34a_100000210258_100000748629 [1,0,0,0,0,0|2,0,1]=4 560 B7R0.4 C=C(C)CSCCC 62a_100000210303_100000211660 [1,0,0,0,0,0|2,0,1]=4 561 B7R0.4 C=C(C)CSCCC 62a_100000748629_100000210303 [1,0,0,0,0,0|2,0,1]=4 562 B7R0.4 C=CCCCC(=O)C 1458a_100000070787_100000757094 [1,0,0,0,0,0|0,0,3]=4 563 B7R0.4 C=CCCCC(=O)C 1458a_100000766728_200000210301 [1,0,0,0,0,0|0,0,3]=4 564 B7R0.4 C=CCCCC(=O)[13CH3] 1458a_100000766728_200025704644 [1,0,0,0,0,0|0,0,3]=4 565 B7R0.4 C=CCCNC(=O)C 11a_100015191253_100015343762 [1,0,0,0,0,0|1,0,2]=4 566 B7R0.4 C=CCCNC(=O)C 1626a_100015191253_100015343762 [1,0,0,0,0,0|1,0,2]=4 567 B7R0.4 C=CCCNC(=O)C 240690a_100015191253_100015343762 [1,0,0,0,0,0|1,0,2]=4 568 B7R0.4 C=CCCNC(=O)C 527a_100015191253_100103153847 [1,0,0,0,0,0|1,0,2]=4 569 B7R0.4 CC#CCNC(=O)C 11a_100000685387_100015343762 [1,0,0,0,0,0|1,0,2]=4 570 B7R0.4 CC#CCNC(=O)C 1626a_100000685387_100015343762 [1,0,0,0,0,0|1,0,2]=4 571 B7R0.4 CC#CCNC(=O)C 527a_100000685387_100103153847 [1,0,0,0,0,0|1,0,2]=4 572 B7R0.4 CC(=CCCS[13CH3])C 62a_100011217483_200025704644 [1,0,0,0,0,0|2,0,0]=3 573 B7R0.4 CC(=CCCS[13CH3])C 62a_200025704644_100011217483 [1,0,0,0,0,0|2,0,0]=3 574 B7R0.4 CC(=CCNCF)C 34a_100000718196_100015361967 [1,0,0,0,0,0|3,0,0]=4 575 B7R0.4 CC(=CCOCF)C 34a_100000753907_100015361967 [1,0,0,0,0,0|3,0,0]=4 576 B7R0.4 CC(=CCSCF)C 62a_100000761012_100015361967 [1,0,0,0,0,0|3,0,0]=4 577 B7R0.4 CC(=CCSCF)C 62a_100015361967_100000761012 [1,0,0,0,0,0|3,0,0]=4 578 B7R0.4 CC(=O)CCCC#N 1458a_100000070787_100000211468 [1,0,0,0,0,0|1,0,2]=4 579 B7R0.4 CC(=O)CCCC#N 1458a_100000075515_200000210301 [1,0,0,0,0,0|1,0,2]=4 580 B7R0.4 CC(=O)CCCCF 1458a_100000070787_100000729493 [1,0,0,0,0,0|1,0,1]=3 581 B7R0.4 CC(=O)CCCCO 1458a_100000070787_100000210776 [1,0,0,0,0,0|1,0,1]=3 582 B7R0.4 CC(=O)CCCCO 1458a_100000695505_200000210301 [1,0,0,0,0,0|1,0,1]=3 583 B7R0.4 CC(=O)CCCO[13CH3] 34a_100000759063_200025704644 [1,0,0,0,0,0|1,0,1]=3 584 B7R0.4 CC(=O)CCCO[13CH3] 7a_100000759063_200025704644 [1,0,0,0,0,0|1,0,1]=3 585 B7R0.4 CC(=O)CCCS[13CH3] 62a_100011215641_200025704644 [1,0,0,0,0,0|1,0,1]=3 586 B7R0.4 CC(=O)CCCS[13CH3] 62a_200025704644_100011215641 [1,0,0,0,0,0|1,0,1]=3 587 B7R0.4 CC(=O)CCOCF 34a_100000759926_100015361967 [1,0,0,0,0,0|2,0,1]=4 588 B7R0.4 CC(=O)CCOCF 7a_100000759926_100015361967 [1,0,0,0,0,0|2,0,1]=4 589 B7R0.4 CC(=O)CCSCF 62a_100000053229_100015361967 [1,0,0,0,0,0|2,0,1]=4 590 B7R0.4 CC(=O)CCSCF 62a_100015361967_100000053229 [1,0,0,0,0,0|2,0,1]=4 591 B7R0.4 CC(=O)COCCF 34a_100000211253_100011217306 [1,0,0,0,0,0|2,0,1]=4 592 B7R0.4 CC(=O)COCCO 1458a_100000708028_200000210301 [1,0,0,0,0,0|2,0,1]=4 593 B7R0.4 CC(=O)COCCO 34a_100000211253_100000211926 [1,0,0,0,0,0|2,0,1]=4 594 B7R0.4 CC(=O)NCCC#N 11a_100000720768_100015343762 [1,0,0,0,0,0|2,0,1]=4 595 B7R0.4 CC(=O)NCCC#N 1626a_100000720768_100015343762 [1,0,0,0,0,0|2,0,1]=4 596 B7R0.4 CC(=O)NCCC#N 240690a_100000720768_100015343762 [1,0,0,0,0,0|2,0,1]=4 597 B7R0.4 CC(=O)NCCC#N 527a_100000720768_100103153847 [1,0,0,0,0,0|2,0,1]=4 598 B7R0.4 CC(=O)NCCCF 11a_100015189416_100015343762 [1,0,0,0,0,0|2,0,0]=3 599 B7R0.4 CC(=O)NCCCF 1626a_100015189416_100015343762 [1,0,0,0,0,0|2,0,0]=3 600 B7R0.4 CC(=O)NCCCF 240690a_100015189416_100015343762 [1,0,0,0,0,0|2,0,0]=3 601 B7R0.4 CC(=O)NCCCF 527a_100015189416_100103153847 [1,0,0,0,0,0|2,0,0]=3 602 B7R0.4 CC(=O)NCCCO 240690a_100000182051_100015343762 [1,0,0,0,0,0|2,0,0]=3 603 B7R0.4 CC(=O)NCCCO 527a_100000182051_100103153847 [1,0,0,0,0,0|2,0,0]=3 604 B7R0.4 CC(=O)NCCN[13CH3] 2230a_100000209853_200025704644 [1,0,0,0,0,0|2,0,0]=3 605 B7R0.4 CC(=O)NCCO[13CH3] 34a_100000158858_200025704644 [1,0,0,0,0,0|2,0,0]=3 606 B7R0.4 CC(=O)NCCS[13CH3] 62a_100000189650_200025704644 [1,0,0,0,0,0|2,0,0]=3 607 B7R0.4 CC(=O)NCCS[13CH3] 62a_200025704644_100000189650 [1,0,0,0,0,0|2,0,0]=3 608 B7R0.4 CC(=O)NNCCO 22a_100000210001_100000070787 [1,0,0,0,0,0|3,0,0]=4 609 B7R0.4 CC(=O)OCCS[13CH3] 62a_100009814007_200025704644 [1,0,0,0,0,0|2,0,0]=3 610 B7R0.4 CC(=O)OCCS[13CH3] 62a_200025704644_100009814007 [1,0,0,0,0,0|2,0,0]=3 611 B7R0.4 CC(=O)OCSCF 62a_100000076356_100015361967 [1,0,0,0,0,0|3,0,0]=4 612 B7R0.4 CC(=O)OCSCF 62a_100015361967_100000076356 [1,0,0,0,0,0|3,0,0]=4 613 B7R0.4 CC/C=C/CC(=O)C 1458a_100016274230_200000210301 [1,0,0,0,0,0|0,0,2]=3 614 B7R0.4 CC/C=C/CC(=O)[13CH3] 1458a_100016274230_200025704644 [1,0,0,0,0,0|0,0,2]=3 615 B7R0.4 CC/C=C\CC(=O)C 1458a_100000070787_100103147603 [1,0,0,0,0,0|0,0,2]=3 616 B7R0.4 CCC#CCC(=O)C 1458a_100000070787_100009813939 [1,0,0,0,0,0|0,0,3]=4 617 B7R0.4 CCC=NNC(=O)C 4a_100000189765_100000210100 [1,0,0,0,0,0|2,0,1]=4 618 B7R0.4 CCCC#CC(=O)C 1458a_200011218047_200000210301 [1,0,0,0,0,0|0,0,2]=3 619 B7R0.4 CCCC#CC(=O)[13CH3] 1458a_200011218047_200025704644 [1,0,0,0,0,0|0,0,2]=3 620 B7R0.4 CCCC=CC(=O)C 1458a_100000212230_200000210301 [1,0,0,0,0,0|0,0,0]=1 621 B7R0.4 CCCC=CC(=O)[13CH3] 1458a_100000212230_200025704644 [1,0,0,0,0,0|0,0,0]=1 622 B7R0.4 CCCCCC(=O)C 1458a_100000070787_100000210326 [1,0,0,0,0,0|0,0,1]=2 623 B7R0.4 CCCCCC(=O)C 1458a_100000212188_200000210301 [1,0,0,0,0,0|0,0,1]=2 624 B7R0.4 CCCCCC(=O)[13CH3] 1458a_100000212188_200025704644 [1,0,0,0,0,0|0,0,1]=2 625 B7R0.4 CCCCCN(C)C 2230a_100000223495_200000210301 [1,0,0,0,0,0|2,0,1]=4 626 B7R0.4 CCCCCN(C)C 2230a_100102631434_100000210326 [1,0,0,0,0,0|2,0,1]=4 627 B7R0.4 CCCCCN(C)C 269982a_100000223495_200000210301 [1,0,0,0,0,0|2,0,1]=4 628 B7R0.4 CCCCCN(C)C 269982a_100102631434_100000210215 [1,0,0,0,0,0|2,0,1]=4 629 B7R0.4 CCCCCN(C)[13CH3] 2230a_100000223495_200025704644 [1,0,0,0,0,0|2,0,1]=4 630 B7R0.4 CCCCCN(C)[13CH3] 269982a_100000223495_200025704644 [1,0,0,0,0,0|2,0,1]=4 631 B7R0.4 CCCCNC(=O)C 11a_100000102301_100015343762 [1,0,0,0,0,0|1,0,0]=2 632 B7R0.4 CCCCNC(=O)C 1626a_100000102301_100015343762 [1,0,0,0,0,0|1,0,0]=2 633 B7R0.4 CCCCNC(=O)C 240690a_100000102301_100015343762 [1,0,0,0,0,0|1,0,0]=2 634 B7R0.4 CCCCNC(=O)C 527a_100000102301_100103153847 [1,0,0,0,0,0|1,0,0]=2 635 B7R0.4 CCCCNC(C)C 2230a_100000102301_100000210206 [1,0,0,0,0,0|2,0,1]=4 636 B7R0.4 CCCCNC(C)C 2230a_100138425928_100000210211 [1,0,0,0,0,0|2,0,1]=4 637 B7R0.4 CCCCNC(C)C 34a_100138425928_100000210210 [1,0,0,0,0,0|2,0,1]=4 638 B7R0.4 CCCCNC(C)C 7a_106832991798_100000210206 [1,0,0,0,0,0|2,0,1]=4 639 B7R0.4 CCCCOC(C)C 34a_100000210227_100000210206 [1,0,0,0,0,0|2,0,1]=4 640 B7R0.4 CCCCOC(C)C 34a_100000212225_100000210210 [1,0,0,0,0,0|2,0,1]=4 641 B7R0.4 CCCCOC(C)C 7a_100000210227_100000210206 [1,0,0,0,0,0|2,0,1]=4 642 B7R0.4 CCCCSC(C)C 62a_100000210206_100000210210 [1,0,0,0,0,0|2,0,1]=4 643 B7R0.4 CCCCSC(C)C 62a_100000210211_100000210206 [1,0,0,0,0,0|2,0,1]=4 644 B7R0.4 CCCNCC(=O)N 2230a_100000711301_100000210303 [1,0,0,0,0,0|2,0,1]=4 645 B7R0.4 CCCNCC(=O)O 269956a_100016091260_100000210207 [1,0,0,0,0,0|2,0,1]=4 646 B7R0.4 CCCNNC(=O)C 22a_100000740057_100000070787 [1,0,0,0,0,0|2,0,0]=3 647 B7R0.4 CCCOCC(=O)C 1458a_100000745993_200000210301 [1,0,0,0,0,0|1,0,1]=3 648 B7R0.4 CCCOCC(=O)C 34a_100000211253_100000210303 [1,0,0,0,0,0|1,0,1]=3 649 B7R0.4 CCCOCC(=O)N 34a_100000210258_100000187820 [1,0,0,0,0,0|2,0,1]=4 650 B7R0.4 CCCOCC(=O)[13CH3] 1458a_100000745993_200025704644 [1,0,0,0,0,0|1,0,1]=3 651 B7R0.4 CCCOCC(=O)[O-] 34a_100000210258_100020667443 [1,0,0,0,0,0|2,0,1]=4 652 B7R0.4 CCCSCC(=O)C 1458a_100000217233_200000210301 [1,0,0,0,0,0|1,0,1]=3 653 B7R0.4 CCCSCC(=O)N 62a_100000210303_100000747473 [1,0,0,0,0,0|2,0,1]=4 654 B7R0.4 CCCSCC(=O)N 62a_100000747473_100000210303 [1,0,0,0,0,0|2,0,1]=4 655 B7R0.4 CCCSCC(=O)[13CH3] 1458a_100000217233_200025704644 [1,0,0,0,0,0|1,0,1]=3 656 B7R0.4 CCCSCC(=O)[O-] 62a_100000210303_100020667443 [1,0,0,0,0,0|2,0,1]=4 657 B7R0.4 CCCSCC(=O)[O-] 62a_100020667443_100000210303 [1,0,0,0,0,0|2,0,1]=4 658 B7R0.4 CCNCC=C(C)C 2230a_100015525214_100000761012 [1,0,0,0,0,0|2,0,0]=3 659 B7R0.4 CCNCC=C(C)C 34a_100000718196_100000210202 [1,0,0,0,0,0|2,0,0]=3 660 B7R0.4 CCNCCC(=O)N 2230a_100015525214_100000744528 [1,0,0,0,0,0|2,0,1]=4 661 B7R0.4 CCOC=CC(=O)C 1458a_100016266692_200000210301 [1,0,0,0,0,0|1,0,0]=2 662 B7R0.4 CCOC=CC(=O)[13CH3] 1458a_100016266692_200025704644 [1,0,0,0,0,0|1,0,0]=2 663 B7R0.4 CCOCC=C(C)C 34a_100000753907_100000210202 [1,0,0,0,0,0|2,0,0]=3 664 B7R0.4 CCOCC=C(C)C 34a_100121572206_100000761012 [1,0,0,0,0,0|2,0,0]=3 665 B7R0.4 CCOCCC(=O)C 1458a_100000070787_100011215890 [1,0,0,0,0,0|1,0,1]=3 666 B7R0.4 CCOCCC(=O)C 1458a_100000749530_200000210301 [1,0,0,0,0,0|1,0,1]=3 667 B7R0.4 CCOCCC(=O)C 34a_100000759926_100000210202 [1,0,0,0,0,0|1,0,1]=3 668 B7R0.4 CCOCCC(=O)C 7a_100000759926_100000210202 [1,0,0,0,0,0|1,0,1]=3 669 B7R0.4 CCOCCC(=O)N 34a_100000757172_100000210202 [1,0,0,0,0,0|2,0,1]=4 670 B7R0.4 CCOCCC(=O)N 34a_100121572206_100000731001 [1,0,0,0,0,0|2,0,1]=4 671 B7R0.4 CCOCCC(=O)N 7a_100000757172_100000210202 [1,0,0,0,0,0|2,0,1]=4 672 B7R0.4 CCOCCC(=O)[13CH3] 1458a_100000749530_200025704644 [1,0,0,0,0,0|1,0,1]=3 673 B7R0.4 CCOCOC(=O)C 34a_100121572206_100009813279 [1,0,0,0,0,0|2,0,0]=3 674 B7R0.4 CCSCC=C(C)C 62a_100000210202_100000761012 [1,0,0,0,0,0|2,0,0]=3 675 B7R0.4 CCSCC=C(C)C 62a_100000761012_100000210202 [1,0,0,0,0,0|2,0,0]=3 676 B7R0.4 CCSCCC(=O)C 1458a_100000070787_100000757381 [1,0,0,0,0,0|1,0,1]=3 677 B7R0.4 CCSCCC(=O)C 1458a_100000230768_200000210301 [1,0,0,0,0,0|1,0,1]=3 678 B7R0.4 CCSCCC(=O)C 62a_100000053229_100000210202 [1,0,0,0,0,0|1,0,1]=3 679 B7R0.4 CCSCCC(=O)C 62a_100000210202_100000053229 [1,0,0,0,0,0|1,0,1]=3 680 B7R0.4 CCSCCC(=O)N 62a_100000210202_100000744528 [1,0,0,0,0,0|2,0,1]=4 681 B7R0.4 CCSCCC(=O)N 62a_100000744528_100000210202 [1,0,0,0,0,0|2,0,1]=4 682 B7R0.4 CCSCCC(=O)[13CH3] 1458a_100000230768_200025704644 [1,0,0,0,0,0|1,0,1]=3 683 B7R0.4 CCSCOC(=O)C 62a_100000076356_100000210202 [1,0,0,0,0,0|2,0,0]=3 684 B7R0.4 CCSCOC(=O)C 62a_100000210202_100000076356 [1,0,0,0,0,0|2,0,0]=3 685 B7R0.4 CNCCC=C(C)C 2230a_106832991635_100011217483 [1,0,0,0,0,0|2,0,0]=3 686 B7R0.4 CNCCC=C(C)C 34a_100102657272_100011217483 [1,0,0,0,0,0|2,0,0]=3 687 B7R0.4 CNCCC=C(C)C 7a_106832991635_100011217483 [1,0,0,0,0,0|2,0,0]=3 688 B7R0.4 CNCCC=C(F)F 2230a_106832991635_200009816681 [1,0,0,0,0,0|3,0,0]=4 689 B7R0.4 CNCCC=C(F)F 34a_100102657272_200009816681 [1,0,0,0,0,0|3,0,0]=4 690 B7R0.4 CNCCC=C(F)F 7a_106832991635_200009816681 [1,0,0,0,0,0|3,0,0]=4 691 B7R0.4 CNCCCC(=O)C 34a_100102657272_100000685027 [1,0,0,0,0,0|1,0,1]=3 692 B7R0.4 CNCCCC(=O)C 7a_106832991635_100011215641 [1,0,0,0,0,0|1,0,1]=3 693 B7R0.4 CNCCCC(=O)N 34a_100000739312_200000210301 [1,0,0,0,0,0|2,0,1]=4 694 B7R0.4 CNCCCC(=O)N 34a_100102657272_100102525003 [1,0,0,0,0,0|2,0,1]=4 695 B7R0.4 CNCCCC(=O)N 7a_106832991635_100102525003 [1,0,0,0,0,0|2,0,1]=4 696 B7R0.4 CNCCCS(=O)C 2230a_200000753449_200000210301 [1,0,0,0,0,0|2,0,1]=4 697 B7R0.4 CNCCNC(=O)C 2230a_100000209853_200000210301 [1,0,0,0,0,0|2,0,0]=3 698 B7R0.4 CNCCNC(=O)C 2230a_106832991635_100000189650 [1,0,0,0,0,0|2,0,0]=3 699 B7R0.4 CNCCNC(=O)C 7a_106832991635_100000189650 [1,0,0,0,0,0|2,0,0]=3 700 B7R0.4 CNCCNC(=O)N 2230a_106832991635_200000034859 [1,0,0,0,0,0|3,0,0]=4 701 B7R0.4 CNCCNC(=O)N 34a_100020590234_200000210301 [1,0,0,0,0,0|3,0,0]=4 702 B7R0.4 CNCCNC(=O)N 7a_106832991635_200000034859 [1,0,0,0,0,0|3,0,0]=4 703 B7R0.4 CNCCOC(=O)C 34a_100102657272_100009814007 [1,0,0,0,0,0|2,0,0]=3 704 B7R0.4 CNCCOC(=O)C 7a_106832991635_100009814007 [1,0,0,0,0,0|2,0,0]=3 705 B7R0.4 CNCCOC(=O)N 34a_100102657272_200011214921 [1,0,0,0,0,0|3,0,0]=4 706 B7R0.4 CNCCOC(=O)N 7a_106832991635_200011214921 [1,0,0,0,0,0|3,0,0]=4 707 B7R0.4 COCC=CC(=O)C 1458a_100016285016_200000210301 [1,0,0,0,0,0|1,0,0]=2 708 B7R0.4 COCC=CC(=O)[13CH3] 1458a_100016285016_200025704644 [1,0,0,0,0,0|1,0,0]=2 709 B7R0.4 COCCC=C(C)C 34a_100138415774_100011217483 [1,0,0,0,0,0|2,0,0]=3 710 B7R0.4 COCCC=C(F)F 34a_100138415774_200009816681 [1,0,0,0,0,0|3,0,0]=4 711 B7R0.4 COCCCC(=O)C 1458a_100000070787_100000740836 [1,0,0,0,0,0|1,0,1]=3 712 B7R0.4 COCCCC(=O)C 1458a_100000741012_200000210301 [1,0,0,0,0,0|1,0,1]=3 713 B7R0.4 COCCCC(=O)C 34a_100000759063_200000210301 [1,0,0,0,0,0|1,0,1]=3 714 B7R0.4 COCCCC(=O)C 34a_100138415774_100000685027 [1,0,0,0,0,0|1,0,1]=3 715 B7R0.4 COCCCC(=O)C 7a_100000759063_200000210301 [1,0,0,0,0,0|1,0,1]=3 716 B7R0.4 COCCCC(=O)N 34a_100138415774_100102525003 [1,0,0,0,0,0|2,0,1]=4 717 B7R0.4 COCCCC(=O)[13CH3] 1458a_100000741012_200025704644 [1,0,0,0,0,0|1,0,1]=3 718 B7R0.4 COCCNC(=O)C 1626a_100000209980_100015343762 [1,0,0,0,0,0|2,0,0]=3 719 B7R0.4 COCCNC(=O)C 240690a_100000209980_100015343762 [1,0,0,0,0,0|2,0,0]=3 720 B7R0.4 COCCNC(=O)C 34a_100000158858_200000210301 [1,0,0,0,0,0|2,0,0]=3 721 B7R0.4 COCCNC(=O)C 527a_100000209980_100103153847 [1,0,0,0,0,0|2,0,0]=3 722 B7R0.4 COCCNC(=O)N 34a_100000181757_200000210301 [1,0,0,0,0,0|3,0,0]=4 723 B7R0.4 COCCOC(=O)C 34a_100138415774_100009814007 [1,0,0,0,0,0|2,0,0]=3 724 B7R0.4 COCCOC(=O)N 34a_100138415774_200011214921 [1,0,0,0,0,0|3,0,0]=4 725 B7R0.4 COCCOC(=O)N 7a_100000766696_200000210301 [1,0,0,0,0,0|3,0,0]=4 726 B7R0.4 CS(=O)CCCN[13CH3] 2230a_200000753449_200025704644 [1,0,0,0,0,0|2,0,1]=4 727 B7R0.4 CSCCC=C(C)C 62a_100011217483_200000210301 [1,0,0,0,0,0|2,0,0]=3 728 B7R0.4 CSCCC=C(C)C 62a_200000210301_100011217483 [1,0,0,0,0,0|2,0,0]=3 729 B7R0.4 CSCCC=C(F)F 62a_200000210301_200009816681 [1,0,0,0,0,0|3,0,0]=4 730 B7R0.4 CSCCC=C(F)F 62a_200009816681_200000210301 [1,0,0,0,0,0|3,0,0]=4 731 B7R0.4 CSCCCC(=O)C 1458a_100000173376_200000210301 [1,0,0,0,0,0|1,0,1]=3 732 B7R0.4 CSCCCC(=O)C 62a_100011215641_200000210301 [1,0,0,0,0,0|1,0,1]=3 733 B7R0.4 CSCCCC(=O)C 62a_200000210301_100011215641 [1,0,0,0,0,0|1,0,1]=3 734 B7R0.4 CSCCCC(=O)N 62a_100102525003_200000210301 [1,0,0,0,0,0|2,0,1]=4 735 B7R0.4 CSCCCC(=O)N 62a_200000210301_100102525003 [1,0,0,0,0,0|2,0,1]=4 736 B7R0.4 CSCCCC(=O)[13CH3] 1458a_100000173376_200025704644 [1,0,0,0,0,0|1,0,1]=3 737 B7R0.4 CSCCNC(=O)C 11a_100020590264_100015343762 [1,0,0,0,0,0|2,0,0]=3 738 B7R0.4 CSCCNC(=O)C 1626a_100020590264_100015343762 [1,0,0,0,0,0|2,0,0]=3 739 B7R0.4 CSCCNC(=O)C 240690a_100020590264_100015343762 [1,0,0,0,0,0|2,0,0]=3 740 B7R0.4 CSCCNC(=O)C 527a_100020590264_100103153847 [1,0,0,0,0,0|2,0,0]=3 741 B7R0.4 CSCCNC(=O)C 62a_100000189650_200000210301 [1,0,0,0,0,0|2,0,0]=3 742 B7R0.4 CSCCNC(=O)C 62a_200000210301_100000189650 [1,0,0,0,0,0|2,0,0]=3 743 B7R0.4 CSCCNC(=O)N 62a_200000034859_200000210301 [1,0,0,0,0,0|3,0,0]=4 744 B7R0.4 CSCCNC(=O)N 62a_200000210301_200000034859 [1,0,0,0,0,0|3,0,0]=4 745 B7R0.4 CSCCOC(=O)C 62a_100009814007_200000210301 [1,0,0,0,0,0|2,0,0]=3 746 B7R0.4 CSCCOC(=O)C 62a_200000210301_100009814007 [1,0,0,0,0,0|2,0,0]=3 747 B7R0.4 CSCCOC(=O)N 62a_200000210301_200011214921 [1,0,0,0,0,0|3,0,0]=4 748 B7R0.4 CSCCOC(=O)N 62a_200011214921_200000210301 [1,0,0,0,0,0|3,0,0]=4 749 B7R0.4 CSCOCC(=O)C 34a_100000211253_100011218213 [1,0,0,0,0,0|2,0,1]=4 750 B7R0.4 [13CH3]C(=O)CCCC#N 1458a_100000075515_200025704644 [1,0,0,0,0,0|1,0,2]=4 751 B7R0.4 [13CH3]C(=O)CCCCO 1458a_100000695505_200025704644 [1,0,0,0,0,0|1,0,1]=3 752 B7R0.4 [13CH3]C(=O)COCCO 1458a_100000708028_200025704644 [1,0,0,0,0,0|2,0,1]=4 753 B7R0.4 [13CH3]NCCCC(=O)N 34a_100000739312_200025704644 [1,0,0,0,0,0|2,0,1]=4 754 B7R0.4 [13CH3]NCCNC(=O)N 34a_100020590234_200025704644 [1,0,0,0,0,0|3,0,0]=4 755 B7R0.4 [13CH3]OCCNC(=O)N 34a_100000181757_200025704644 [1,0,0,0,0,0|3,0,0]=4 756 B7R0.4 [13CH3]OCCOC(=O)N 7a_100000766696_200025704644 [1,0,0,0,0,0|3,0,0]=4 757 B7R0.4 [13CH3]SCCC=C(F)F 62a_200009816681_200025704644 [1,0,0,0,0,0|3,0,0]=4 758 B7R0.4 [13CH3]SCCC=C(F)F 62a_200025704644_200009816681 [1,0,0,0,0,0|3,0,0]=4 759 B7R0.4 [13CH3]SCCCC(=O)N 62a_100102525003_200025704644 [1,0,0,0,0,0|2,0,1]=4 760 B7R0.4 [13CH3]SCCCC(=O)N 62a_200025704644_100102525003 [1,0,0,0,0,0|2,0,1]=4 761 B7R0.4 [13CH3]SCCNC(=O)N 62a_200000034859_200025704644 [1,0,0,0,0,0|3,0,0]=4 762 B7R0.4 [13CH3]SCCNC(=O)N 62a_200025704644_200000034859 [1,0,0,0,0,0|3,0,0]=4 763 B7R0.4 [13CH3]SCCOC(=O)N 62a_200011214921_200025704644 [1,0,0,0,0,0|3,0,0]=4 764 B7R0.4 [13CH3]SCCOC(=O)N 62a_200025704644_200011214921 [1,0,0,0,0,0|3,0,0]=4 765 B9R0.1 C=C(C)C=NNC(C)CC 4a_100000718999_100000210575 [0,1,0,0,0,0|3,0,0]=4 766 B9R0.1 C=C(C)CNCC(C)CC 2230a_100020588543_100000748629 [0,1,0,0,0,0|2,0,1]=4 767 B9R0.1 C=C(C)CNCC(O)CC 2230a_100011218483_100000748629 [0,1,0,0,0,0|2,0,1]=4 768 B9R0.1 C=C(C)COCC(C)CC 34a_100000210245_100000748023 [0,1,0,0,0,0|2,0,1]=4 769 B9R0.1 C=C(C)COCC(O)CC 34a_100000210245_100011218378 [0,1,0,0,0,0|2,0,1]=4 770 B9R0.1 C=C(C)COC[C@@H](C)CC 34a_100000210245_100009816398 [0,1,0,0,0,0|2,0,1]=4 771 B9R0.1 C=C(C)COC[C@@H](C)CC 7a_100009816381_100000748629 [0,1,0,0,0,0|2,0,1]=4 772 B9R0.1 C=C(C)CSCC(C)CC 62a_100000748023_100000211660 [0,1,0,0,0,0|2,0,1]=4 773 B9R0.1 C=C(C)CSCC(C)CC 62a_100000748629_100000748023 [0,1,0,0,0,0|2,0,1]=4 774 B9R0.1 C=C(C)CSCC(O)CC 62a_100000748629_100011218378 [0,1,0,0,0,0|2,0,1]=4 775 B9R0.1 C=C(C)CSCC(O)CC 62a_100011218378_100000211660 [0,1,0,0,0,0|2,0,1]=4 776 B9R0.1 C=C(C)CSC[C@@H](C)CC 62a_100000748629_100009816398 [0,1,0,0,0,0|2,0,1]=4 777 B9R0.1 C=C(C)CSC[C@@H](C)CC 62a_100009816398_100000211660 [0,1,0,0,0,0|2,0,1]=4 778 B9R0.1 CC(=CCCC(C)O[13CH3])C 34a_100102619829_200025704644 [0,1,0,0,0,0|2,0,1]=4 779 B9R0.1 CC(=CCCC(C)O[13CH3])C 7a_100102619829_200025704644 [0,1,0,0,0,0|2,0,1]=4 780 B9R0.1 CC(=O)COCC(O)CO 34a_100000211253_100011219619 [0,1,0,0,0,0|2,0,1]=4 781 B9R0.1 CC(=O)COC[C@@H](C)CO 34a_100000211253_100000059175 [0,1,0,0,0,0|2,0,1]=4 782 B9R0.1 CC(=O)COC[C@@H](O)CF 34a_100000211253_100015614560 [0,1,0,0,0,0|2,0,1]=4 783 B9R0.1 CC(=O)COC[C@@H](O)CO 34a_100000211253_100009815848 [0,1,0,0,0,0|2,0,1]=4 784 B9R0.1 CC(=O)NCCC(C)CO 240690a_106354213184_100015343762 [0,1,0,0,0,0|2,0,1]=4 785 B9R0.1 CC(=O)NCCC(C)CO 527a_106354213184_100103153847 [0,1,0,0,0,0|2,0,1]=4 786 B9R0.1 CCC(=O)C/C=C/C(C)C 1458a_100016292215_100000210202 [0,1,0,0,0,0|1,0,2]=4 787 B9R0.1 CCC(=O)CCC=C(C)C 1458a_100000210414_100011217483 [0,1,0,0,0,0|1,0,2]=4 788 B9R0.1 CCC(=O)CCCC(=O)C 1458a_100000210414_100011215641 [0,1,0,0,0,0|0,0,3]=4 789 B9R0.1 CCC(=O)CCNC(=O)C 1458a_100000183196_100000210202 [0,1,0,0,0,0|1,0,2]=4 790 B9R0.1 CCC(=O)CCNC(=O)C 1458a_100000210414_100000189650 [0,1,0,0,0,0|1,0,2]=4 791 B9R0.1 CCC(=O)CCOC(=O)C 1458a_100000210414_100009814007 [0,1,0,0,0,0|1,0,2]=4 792 B9R0.1 CCC(=O)CCSC(=O)C 1458a_100000048949_100000210202 [0,1,0,0,0,0|1,0,2]=4 793 B9R0.1 CCC(C)C=NNC(=O)C 4a_100000189765_100000243153 [0,1,0,0,0,0|2,0,1]=4 794 B9R0.1 CCC(C)CCNC(=O)C 11a_100020591266_100015343762 [0,1,0,0,0,0|1,0,1]=3 795 B9R0.1 CCC(C)CCNC(=O)C 1626a_100020591266_100015343762 [0,1,0,0,0,0|1,0,1]=3 796 B9R0.1 CCC(C)CCNC(=O)C 240690a_100020591266_100015343762 [0,1,0,0,0,0|1,0,1]=3 797 B9R0.1 CCC(C)CCNC(=O)C 527a_100020591266_100103153847 [0,1,0,0,0,0|1,0,1]=3 798 B9R0.1 CCC(C)CNCC(=O)N 2230a_100000711301_100000748023 [0,1,0,0,0,0|2,0,1]=4 799 B9R0.1 CCC(C)CNCC(=O)N 2230a_100020588543_100000747473 [0,1,0,0,0,0|2,0,1]=4 800 B9R0.1 CCC(C)CNCC(=O)O 269956a_100016091260_100000748023 [0,1,0,0,0,0|2,0,1]=4 801 B9R0.1 CCC(C)COCC(=O)C 34a_100000211253_100000748023 [0,1,0,0,0,0|1,0,1]=3 802 B9R0.1 CCC(C)CSCC(=O)N 62a_100000747473_100000748023 [0,1,0,0,0,0|2,0,1]=4 803 B9R0.1 CCC(C)CSCC(=O)N 62a_100000748023_100000747473 [0,1,0,0,0,0|2,0,1]=4 804 B9R0.1 CCC(C)CSCC(=O)[O-] 62a_100000748023_100020667443 [0,1,0,0,0,0|2,0,1]=4 805 B9R0.1 CCC(C)CSCC(=O)[O-] 62a_100020667443_100000748023 [0,1,0,0,0,0|2,0,1]=4 806 B9R0.1 CCC(C)NCC=C(C)C 2230a_100000209981_100000761012 [0,1,0,0,0,0|2,0,1]=4 807 B9R0.1 CCC(C)NCC=C(C)C 34a_100000718196_100011215416 [0,1,0,0,0,0|2,0,1]=4 808 B9R0.1 CCC(C)OCC=C(C)C 34a_100000753907_100011215416 [0,1,0,0,0,0|2,0,1]=4 809 B9R0.1 CCC(C)OCC=C(C)C 7a_100000210228_100000761012 [0,1,0,0,0,0|2,0,1]=4 810 B9R0.1 CCC(C)OCCC(=O)C 34a_100000759926_100011215416 [0,1,0,0,0,0|1,0,2]=4 811 B9R0.1 CCC(C)OCCC(=O)C 7a_100000210228_100000053229 [0,1,0,0,0,0|1,0,2]=4 812 B9R0.1 CCC(C)OCCC(=O)C 7a_100000759926_100000758301 [0,1,0,0,0,0|1,0,2]=4 813 B9R0.1 CCC(C)SCC=C(C)C 62a_100000758301_100000761012 [0,1,0,0,0,0|2,0,1]=4 814 B9R0.1 CCC(C)SCC=C(C)C 62a_100000761012_100000758301 [0,1,0,0,0,0|2,0,1]=4 815 B9R0.1 CCC(C)SCCC(=O)C 62a_100000053229_100000758301 [0,1,0,0,0,0|1,0,2]=4 816 B9R0.1 CCC(C)SCCC(=O)C 62a_100000758301_100000053229 [0,1,0,0,0,0|1,0,2]=4 817 B9R0.1 CCC(C)SCOC(=O)C 62a_100000076356_100000758301 [0,1,0,0,0,0|2,0,1]=4 818 B9R0.1 CCC(C)SCOC(=O)C 62a_100000758301_100000076356 [0,1,0,0,0,0|2,0,1]=4 819 B9R0.1 CCC(O)CNCC(=O)N 2230a_100000711301_100011218378 [0,1,0,0,0,0|2,0,1]=4 820 B9R0.1 CCC(O)CNCC(=O)N 2230a_100011218483_100000747473 [0,1,0,0,0,0|2,0,1]=4 821 B9R0.1 CCC(O)CNCC(=O)O 269956a_100016091260_100011218378 [0,1,0,0,0,0|2,0,1]=4 822 B9R0.1 CCC(O)CNNC(=O)C 22a_100015206393_100000070787 [0,1,0,0,0,0|2,0,0]=3 823 B9R0.1 CCC(O)COCC(=O)C 34a_100000211253_100011218378 [0,1,0,0,0,0|1,0,1]=3 824 B9R0.1 CCC(O)CSCC(=O)N 62a_100000747473_100011218378 [0,1,0,0,0,0|2,0,1]=4 825 B9R0.1 CCC(O)CSCC(=O)N 62a_100011218378_100000747473 [0,1,0,0,0,0|2,0,1]=4 826 B9R0.1 CCC(O)CSCC(=O)[O-] 62a_100011218378_100020667443 [0,1,0,0,0,0|2,0,1]=4 827 B9R0.1 CCC(O)CSCC(=O)[O-] 62a_100020667443_100011218378 [0,1,0,0,0,0|2,0,1]=4 828 B9R0.1 CCN(C)CCC=C(C)C 2230a_100000225621_100011217483 [0,1,0,0,0,0|2,0,1]=4 829 B9R0.1 CCN(C)CCC=C(C)C 269982a_100000225621_100011217483 [0,1,0,0,0,0|2,0,1]=4 830 B9R0.1 CCN(C)CCCC(=O)C 1458a_100000070787_100015186262 [0,1,0,0,0,0|1,0,2]=4 831 B9R0.1 CCN(C)CCCC(=O)C 269982a_100000225621_100011215641 [0,1,0,0,0,0|1,0,2]=4 832 B9R0.1 CCN(C)CCNC(=O)C 2230a_100000225621_100000189650 [0,1,0,0,0,0|2,0,1]=4 833 B9R0.1 CCN(C)CCNC(=O)C 269982a_100000225621_100000189650 [0,1,0,0,0,0|2,0,1]=4 834 B9R0.1 CCN(C)CCOC(=O)C 269982a_100000225621_100009814007 [0,1,0,0,0,0|2,0,1]=4 835 B9R0.1 CC[C@H](C)CNCC(=O)N 2230a_100000711301_100009816398 [0,1,0,0,0,0|2,0,1]=4 836 B9R0.1 CC[C@H](C)CNCC(=O)O 269956a_100016091260_100009816398 [0,1,0,0,0,0|2,0,1]=4 837 B9R0.1 CC[C@H](C)COCC(=O)C 34a_100000211253_100009816398 [0,1,0,0,0,0|1,0,1]=3 838 B9R0.1 CC[C@H](C)COCC(=O)N 7a_100009816381_100000187820 [0,1,0,0,0,0|2,0,1]=4 839 B9R0.1 CC[C@H](C)CSCC(=O)N 62a_100000747473_100009816398 [0,1,0,0,0,0|2,0,1]=4 840 B9R0.1 CC[C@H](C)CSCC(=O)N 62a_100009816398_100000747473 [0,1,0,0,0,0|2,0,1]=4 841 B9R0.1 CC[C@H](C)CSCC(=O)[O-] 62a_100009816398_100020667443 [0,1,0,0,0,0|2,0,1]=4 842 B9R0.1 CC[C@H](C)CSCC(=O)[O-] 62a_100020667443_100009816398 [0,1,0,0,0,0|2,0,1]=4 843 B9R0.1 CNC(C)CCC=C(C)C 270004a_106832991635_100000765506 [0,1,0,0,0,0|2,0,1]=4 844 B9R0.1 COC(C)CCC=C(C)C 34a_100102619829_200000210301 [0,1,0,0,0,0|2,0,1]=4 845 B9R0.1 COC(C)CCC=C(C)C 7a_100102619829_200000210301 [0,1,0,0,0,0|2,0,1]=4 846 B9R0.2 C#CCCC=NNC(=O)C 4a_100000189765_100011713443 [0,1,0,0,0,0|1,0,2]=4 847 B9R0.2 C#CCCCCCC(=O)C 1458a_100000070787_100012094781 [0,1,0,0,0,0|0,0,3]=4 848 B9R0.2 C#CCCCCCC(=O)C 1458a_100000694772_200000210301 [0,1,0,0,0,0|0,0,3]=4 849 B9R0.2 C#CCCCCCC(=O)[13CH3] 1458a_100000694772_200025704644 [0,1,0,0,0,0|0,0,3]=4 850 B9R0.2 C#CCCCCNC(=O)C 11a_100000706060_100015343762 [0,1,0,0,0,0|1,0,2]=4 851 B9R0.2 C#CCCCCNC(=O)C 1626a_100000706060_100015343762 [0,1,0,0,0,0|1,0,2]=4 852 B9R0.2 C#CCCCCNC(=O)C 240690a_100000706060_100015343762 [0,1,0,0,0,0|1,0,2]=4 853 B9R0.2 C#CCCCCNC(=O)C 527a_100000706060_100103153847 [0,1,0,0,0,0|1,0,2]=4 854 B9R0.2 C#CCCCOCC(=O)C 34a_100000211253_100000695029 [0,1,0,0,0,0|1,0,2]=4 855 B9R0.2 C=C(C)C=NNCCCC 4a_100025702795_100000210575 [0,1,0,0,0,0|2,0,0]=3 856 B9R0.2 C=C(C)CCNCCCC 2230a_100000102301_100000730704 [0,1,0,0,0,0|1,0,2]=4 857 B9R0.2 C=C(C)CCNCCCC 7a_106832991798_100000730704 [0,1,0,0,0,0|1,0,2]=4 858 B9R0.2 C=C(C)CCOCCCC 34a_100000210227_100000730704 [0,1,0,0,0,0|1,0,2]=4 859 B9R0.2 C=C(C)CCOCCCC 34a_100000764851_100000210210 [0,1,0,0,0,0|1,0,2]=4 860 B9R0.2 C=C(C)CCOCCCC 7a_100000210227_100000730704 [0,1,0,0,0,0|1,0,2]=4 861 B9R0.2 C=C(C)CCSCCCC 62a_100000210211_100000730704 [0,1,0,0,0,0|1,0,2]=4 862 B9R0.2 C=C(C)CCSCCCC 62a_100000730704_100000210210 [0,1,0,0,0,0|1,0,2]=4 863 B9R0.2 C=C(C)CNCCCCC 2230a_100000209983_100000748629 [0,1,0,0,0,0|1,0,2]=4 864 B9R0.2 C=C(C)CNCCCCO 2230a_100000750430_100000748629 [0,1,0,0,0,0|2,0,1]=4 865 B9R0.2 C=C(C)CNCCCCO 34a_100000750430_100000748629 [0,1,0,0,0,0|2,0,1]=4 866 B9R0.2 C=C(C)CNCCCOC 34a_100150723488_100000748629 [0,1,0,0,0,0|2,0,1]=4 867 B9R0.2 C=C(C)CNCCCSC 2230a_100000749238_100000748629 [0,1,0,0,0,0|2,0,1]=4 868 B9R0.2 C=C(C)CNCCOCC 2230a_102516460346_100000748629 [0,1,0,0,0,0|2,0,1]=4 869 B9R0.2 C=C(C)CNCCOCC 34a_102516460346_100000748629 [0,1,0,0,0,0|2,0,1]=4 870 B9R0.2 C=C(C)CNCCSCC 2230a_100000106463_100000748629 [0,1,0,0,0,0|2,0,1]=4 871 B9R0.2 C=C(C)COCCCCBr 34a_100011216708_100000748629 [0,1,0,0,0,0|2,0,1]=4 872 B9R0.2 C=C(C)COCCCCC 34a_100000210245_100000718602 [0,1,0,0,0,0|1,0,2]=4 873 B9R0.2 C=C(C)COCCCCC 34a_100000210253_100000748629 [0,1,0,0,0,0|1,0,2]=4 874 B9R0.2 C=C(C)COCCCCC 7a_100000210253_100000748629 [0,1,0,0,0,0|1,0,2]=4 875 B9R0.2 C=C(C)COCCCCCl 34a_100000210776_100000748629 [0,1,0,0,0,0|2,0,1]=4 876 B9R0.2 C=C(C)COCCCCCl 7a_100000210776_100000748629 [0,1,0,0,0,0|2,0,1]=4 877 B9R0.2 C=C(C)COCCCCF 34a_100000210245_100000729493 [0,1,0,0,0,0|2,0,1]=4 878 B9R0.2 C=C(C)COCCCCF 34a_100011995726_100000748629 [0,1,0,0,0,0|2,0,1]=4 879 B9R0.2 C=C(C)COCCCCF 7a_100011995726_100000748629 [0,1,0,0,0,0|2,0,1]=4 880 B9R0.2 C=C(C)COCCCCI 34a_200012148704_100000748629 [0,1,0,0,0,0|2,0,1]=4 881 B9R0.2 C=C(C)COCCCCN 34a_100000750430_100000748629 [0,1,0,0,0,0|2,0,1]=4 882 B9R0.2 C=C(C)COCCCCO 34a_100000210245_100011216708 [0,1,0,0,0,0|2,0,1]=4 883 B9R0.2 C=C(C)COCCCNC 34a_100000213112_100000748629 [0,1,0,0,0,0|2,0,1]=4 884 B9R0.2 C=C(C)COCCCOC 34a_100000210245_100000740836 [0,1,0,0,0,0|2,0,1]=4 885 B9R0.2 C=C(C)COCCCOC 34a_100000740835_100000748629 [0,1,0,0,0,0|2,0,1]=4 886 B9R0.2 C=C(C)COCCCSC 34a_100000690336_100000748629 [0,1,0,0,0,0|2,0,1]=4 887 B9R0.2 C=C(C)COCCCSC 7a_100000690336_100000748629 [0,1,0,0,0,0|2,0,1]=4 888 B9R0.2 C=C(C)COCCOCC 34a_100000210136_100000748629 [0,1,0,0,0,0|2,0,1]=4 889 B9R0.2 C=C(C)COCCOCC 34a_100000210245_100000210147 [0,1,0,0,0,0|2,0,1]=4 890 B9R0.2 C=C(C)COCCOCC 7a_100000210136_100000748629 [0,1,0,0,0,0|2,0,1]=4 891 B9R0.2 C=C(C)COCCSCC 34a_100000210245_100000757381 [0,1,0,0,0,0|2,0,1]=4 892 B9R0.2 C=C(C)COCCSCC 34a_100000212035_100000748629 [0,1,0,0,0,0|2,0,1]=4 893 B9R0.2 C=C(C)COCCSCC 7a_100000212035_100000748629 [0,1,0,0,0,0|2,0,1]=4 894 B9R0.2 C=C(C)CSCCCCC 62a_100000210326_100000211660 [0,1,0,0,0,0|1,0,2]=4 895 B9R0.2 C=C(C)CSCCCCC 62a_100000748629_100000210326 [0,1,0,0,0,0|1,0,2]=4 896 B9R0.2 C=C(C)CSCCCCF 62a_100000729493_100000211660 [0,1,0,0,0,0|2,0,1]=4 897 B9R0.2 C=C(C)CSCCCCF 62a_100000748629_100000729493 [0,1,0,0,0,0|2,0,1]=4 898 B9R0.2 C=C(C)CSCCCCO 62a_100000210776_100000211660 [0,1,0,0,0,0|2,0,1]=4 899 B9R0.2 C=C(C)CSCCCCO 62a_100000748629_100000210776 [0,1,0,0,0,0|2,0,1]=4 900 B9R0.2 C=C(C)CSCCCOC 62a_100000709357_100000211660 [0,1,0,0,0,0|2,0,1]=4 901 B9R0.2 C=C(C)CSCCCOC 62a_100000748629_100000709357 [0,1,0,0,0,0|2,0,1]=4 902 B9R0.2 C=C(C)CSCCOCC 62a_100000210147_100000211660 [0,1,0,0,0,0|2,0,1]=4 903 B9R0.2 C=C(C)CSCCOCC 62a_100000748629_100011215890 [0,1,0,0,0,0|2,0,1]=4 904 B9R0.2 C=C(C)CSCCSCC 62a_100000748629_100000757381 [0,1,0,0,0,0|2,0,1]=4 905 B9R0.2 C=C(C)CSCCSCC 62a_100000757381_100000211660 [0,1,0,0,0,0|2,0,1]=4 906 B9R0.2 C=CCCC=NNC(=O)C 4a_100000189765_100011216789 [0,1,0,0,0,0|1,0,2]=4 907 B9R0.2 C=CCCCCCC(=O)C 1458a_100000070787_100000700193 [0,1,0,0,0,0|0,0,3]=4 908 B9R0.2 C=CCCCCCC(=O)C 1458a_100011934241_200000210301 [0,1,0,0,0,0|0,0,3]=4 909 B9R0.2 C=CCCCCCC(=O)[13CH3] 1458a_100011934241_200025704644 [0,1,0,0,0,0|0,0,3]=4 910 B9R0.2 C=CCCCCNC(=O)C 11a_100000703577_100015343762 [0,1,0,0,0,0|1,0,2]=4 911 B9R0.2 C=CCCCCNC(=O)C 1626a_100000703577_100015343762 [0,1,0,0,0,0|1,0,2]=4 912 B9R0.2 C=CCCCCNC(=O)C 240690a_100000703577_100015343762 [0,1,0,0,0,0|1,0,2]=4 913 B9R0.2 C=CCCCCNC(=O)C 527a_100000703577_100103153847 [0,1,0,0,0,0|1,0,2]=4 914 B9R0.2 C=CCCCOCC(=O)C 34a_100000211253_100000757094 [0,1,0,0,0,0|1,0,2]=4 915 B9R0.2 CC(=CC=NNCCO)C 4a_100000210001_100011215525 [0,1,0,0,0,0|3,0,0]=4 916 B9R0.2 CC(=CCCNCCF)C 34a_100000724931_100011217483 [0,1,0,0,0,0|2,0,1]=4 917 B9R0.2 CC(=CCCNCCO)C 2230a_100016997473_100011217483 [0,1,0,0,0,0|2,0,1]=4 918 B9R0.2 CC(=CCCNCCO)C 34a_100016990907_100011217483 [0,1,0,0,0,0|2,0,1]=4 919 B9R0.2 CC(=CCCOCCBr)C 34a_100000211926_100011217483 [0,1,0,0,0,0|2,0,1]=4 920 B9R0.2 CC(=CCCOCCN)C 34a_100000210304_100011217483 [0,1,0,0,0,0|2,0,1]=4 921 B9R0.2 CC(=CCCSCCF)C 62a_100011217306_100011217483 [0,1,0,0,0,0|2,0,1]=4 922 B9R0.2 CC(=CCCSCCF)C 62a_100011217483_100011217306 [0,1,0,0,0,0|2,0,1]=4 923 B9R0.2 CC(=CCCSCCO)C 62a_100000211926_100011217483 [0,1,0,0,0,0|2,0,1]=4 924 B9R0.2 CC(=CCCSCCO)C 62a_100011217483_100000211926 [0,1,0,0,0,0|2,0,1]=4 925 B9R0.2 CC(=CCNCCCF)C 2230a_100015189416_100000761012 [0,1,0,0,0,0|2,0,1]=4 926 B9R0.2 CC(=CCNCCCF)C 34a_100000718196_100011934791 [0,1,0,0,0,0|2,0,1]=4 927 B9R0.2 CC(=CCNCCCF)C 34a_100015189416_100000761012 [0,1,0,0,0,0|2,0,1]=4 928 B9R0.2 CC(=CCNCCCO)C 34a_100000718196_100000230001 [0,1,0,0,0,0|2,0,1]=4 929 B9R0.2 CC(=CCOCCCBr)C 34a_100011217188_100000761012 [0,1,0,0,0,0|2,0,1]=4 930 B9R0.2 CC(=CCOCCCCl)C 34a_100000230001_100000761012 [0,1,0,0,0,0|2,0,1]=4 931 B9R0.2 CC(=CCOCCCF)C 34a_100000753907_100011934791 [0,1,0,0,0,0|2,0,1]=4 932 B9R0.2 CC(=CCOCCCF)C 34a_100000759539_100000761012 [0,1,0,0,0,0|2,0,1]=4 933 B9R0.2 CC(=CCOCCCN)C 34a_100000182051_100000761012 [0,1,0,0,0,0|2,0,1]=4 934 B9R0.2 CC(=CCOCCCO)C 34a_100000753907_100000230001 [0,1,0,0,0,0|2,0,1]=4 935 B9R0.2 CC(=CCSCCCF)C 62a_100000761012_100011934791 [0,1,0,0,0,0|2,0,1]=4 936 B9R0.2 CC(=CCSCCCF)C 62a_100011934791_100000761012 [0,1,0,0,0,0|2,0,1]=4 937 B9R0.2 CC(=CCSCCCO)C 62a_100000761012_100011215043 [0,1,0,0,0,0|2,0,1]=4 938 B9R0.2 CC(=CCSCCCO)C 62a_100011215043_100000761012 [0,1,0,0,0,0|2,0,1]=4 939 B9R0.2 CC(=O)CCCCCC#N 1458a_100000070787_100009813376 [0,1,0,0,0,0|0,0,3]=4 940 B9R0.2 CC(=O)CCCCCCF 1458a_100000070787_100015922095 [0,1,0,0,0,0|0,0,2]=3 941 B9R0.2 CC(=O)CCCCCCO 1458a_100000070787_100000766143 [0,1,0,0,0,0|0,0,2]=3 942 B9R0.2 CC(=O)CCCCCCO 1458a_100011996774_200000210301 [0,1,0,0,0,0|0,0,2]=3 943 B9R0.2 CC(=O)CCCCSCF 62a_100000735457_100015361967 [0,1,0,0,0,0|1,0,2]=4 944 B9R0.2 CC(=O)CCCCSCF 62a_100015361967_100000735457 [0,1,0,0,0,0|1,0,2]=4 945 B9R0.2 CC(=O)CCCNCCF 34a_100000724931_100000685027 [0,1,0,0,0,0|1,0,2]=4 946 B9R0.2 CC(=O)CCCNCCO 34a_100016990907_100000685027 [0,1,0,0,0,0|1,0,2]=4 947 B9R0.2 CC(=O)CCCOCCBr 34a_100000211926_100000685027 [0,1,0,0,0,0|1,0,2]=4 948 B9R0.2 CC(=O)CCCOCCF 34a_100000759063_100011217306 [0,1,0,0,0,0|1,0,2]=4 949 B9R0.2 CC(=O)CCCOCCF 7a_100000759063_100011217306 [0,1,0,0,0,0|1,0,2]=4 950 B9R0.2 CC(=O)CCCOCCN 34a_100000210304_100000685027 [0,1,0,0,0,0|1,0,2]=4 951 B9R0.2 CC(=O)CCCOCCO 34a_100000759063_100000211926 [0,1,0,0,0,0|1,0,2]=4 952 B9R0.2 CC(=O)CCCOCCO 7a_100000759063_100000211926 [0,1,0,0,0,0|1,0,2]=4 953 B9R0.2 CC(=O)CCCSCCF 62a_100011215641_100011217306 [0,1,0,0,0,0|1,0,2]=4 954 B9R0.2 CC(=O)CCCSCCF 62a_100011217306_100011215641 [0,1,0,0,0,0|1,0,2]=4 955 B9R0.2 CC(=O)CCCSCCO 62a_100000211926_100011215641 [0,1,0,0,0,0|1,0,2]=4 956 B9R0.2 CC(=O)CCCSCCO 62a_100011215641_100000211926 [0,1,0,0,0,0|1,0,2]=4 957 B9R0.2 CC(=O)CCOCCCF 34a_100000759926_100011934791 [0,1,0,0,0,0|1,0,2]=4 958 B9R0.2 CC(=O)CCOCCCF 7a_100000759926_100011934791 [0,1,0,0,0,0|1,0,2]=4 959 B9R0.2 CC(=O)CCOCCCO 34a_100000759926_100000230001 [0,1,0,0,0,0|1,0,2]=4 960 B9R0.2 CC(=O)CCOCCCO 7a_100000759926_100011215043 [0,1,0,0,0,0|1,0,2]=4 961 B9R0.2 CC(=O)CCSCCCF 62a_100000053229_100011934791 [0,1,0,0,0,0|1,0,2]=4 962 B9R0.2 CC(=O)CCSCCCF 62a_100011934791_100000053229 [0,1,0,0,0,0|1,0,2]=4 963 B9R0.2 CC(=O)CCSCCCO 62a_100000053229_100011215043 [0,1,0,0,0,0|1,0,2]=4 964 B9R0.2 CC(=O)CCSCCCO 62a_100011215043_100000053229 [0,1,0,0,0,0|1,0,2]=4 965 B9R0.2 CC(=O)COCCCCF 34a_100000211253_100000729493 [0,1,0,0,0,0|1,0,1]=3 966 B9R0.2 CC(=O)COCCCCO 34a_100000211253_100011216708 [0,1,0,0,0,0|1,0,1]=3 967 B9R0.2 CC(=O)NCCCCC#N 11a_100000751965_100015343762 [0,1,0,0,0,0|1,0,2]=4 968 B9R0.2 CC(=O)NCCCCC#N 1626a_100000751965_100015343762 [0,1,0,0,0,0|1,0,2]=4 969 B9R0.2 CC(=O)NCCCCC#N 240690a_100000751965_100015343762 [0,1,0,0,0,0|1,0,2]=4 970 B9R0.2 CC(=O)NCCCCC#N 527a_100000751965_100103153847 [0,1,0,0,0,0|1,0,2]=4 971 B9R0.2 CC(=O)NCCCCCO 240690a_100000762737_100015343762 [0,1,0,0,0,0|1,0,1]=3 972 B9R0.2 CC(=O)NCCCCN[13CH3] 2230a_200011368371_200025704644 [0,1,0,0,0,0|1,0,1]=3 973 B9R0.2 CC(=O)NCCCCN[13CH3] 34a_200011368371_200025704644 [0,1,0,0,0,0|1,0,1]=3 974 B9R0.2 CC(=O)NCCCNCF 34a_100000736810_100015361967 [0,1,0,0,0,0|2,0,1]=4 975 B9R0.2 CC(=O)NCCCOCF 34a_100000752032_100015361967 [0,1,0,0,0,0|2,0,1]=4 976 B9R0.2 CC(=O)NCCNCCF 2230a_100000209853_100011217306 [0,1,0,0,0,0|2,0,1]=4 977 B9R0.2 CC(=O)NCCNCCO 2230a_100000209853_100000211926 [0,1,0,0,0,0|2,0,1]=4 978 B9R0.2 CC(=O)NCCNCCO 2230a_100016997473_100000189650 [0,1,0,0,0,0|2,0,1]=4 979 B9R0.2 CC(=O)NCCOCCF 34a_100000158858_100011217306 [0,1,0,0,0,0|2,0,1]=4 980 B9R0.2 CC(=O)NCCOCCO 240690a_100000211614_100015343762 [0,1,0,0,0,0|2,0,1]=4 981 B9R0.2 CC(=O)NCCOCCO 34a_100000158858_100000211926 [0,1,0,0,0,0|2,0,1]=4 982 B9R0.2 CC(=O)NCCSCCF 62a_100000189650_100011217306 [0,1,0,0,0,0|2,0,1]=4 983 B9R0.2 CC(=O)NCCSCCF 62a_100011217306_100000189650 [0,1,0,0,0,0|2,0,1]=4 984 B9R0.2 CC(=O)NCCSCCO 240690a_100011219999_100015343762 [0,1,0,0,0,0|2,0,1]=4 985 B9R0.2 CC(=O)NCCSCCO 527a_100011219999_100103153847 [0,1,0,0,0,0|2,0,1]=4 986 B9R0.2 CC(=O)NCCSCCO 62a_100000189650_100000211926 [0,1,0,0,0,0|2,0,1]=4 987 B9R0.2 CC(=O)NCCSCCO 62a_100000211926_100000189650 [0,1,0,0,0,0|2,0,1]=4 988 B9R0.2 CC(=O)OCCCCO[13CH3] 34a_100000073216_200025704644 [0,1,0,0,0,0|1,0,1]=3 989 B9R0.2 CC(=O)OCCCCO[13CH3] 7a_100000073216_200025704644 [0,1,0,0,0,0|1,0,1]=3 990 B9R0.2 CC(=O)OCCCCS[13CH3] 62a_100000033659_200025704644 [0,1,0,0,0,0|1,0,1]=3 991 B9R0.2 CC(=O)OCCCCS[13CH3] 62a_200025704644_100000033659 [0,1,0,0,0,0|1,0,1]=3 992 B9R0.2 CC(=O)OCCCSCF 62a_100000042594_100015361967 [0,1,0,0,0,0|2,0,1]=4 993 B9R0.2 CC(=O)OCCCSCF 62a_100015361967_100000042594 [0,1,0,0,0,0|2,0,1]=4 994 B9R0.2 CC(=O)OCCNCCF 34a_100000724931_100009814007 [0,1,0,0,0,0|2,0,1]=4 995 B9R0.2 CC(=O)OCCNCCO 34a_100016990907_100009814007 [0,1,0,0,0,0|2,0,1]=4 996 B9R0.2 CC(=O)OCCOCCBr 34a_100000211926_100009814007 [0,1,0,0,0,0|2,0,1]=4 997 B9R0.2 CC(=O)OCCOCCN 34a_100000210304_100009814007 [0,1,0,0,0,0|2,0,1]=4 998 B9R0.2 CC(=O)OCCOCS[13CH3] 62a_100000076355_200025704644 [0,1,0,0,0,0|2,0,1]=4 999 B9R0.2 CC(=O)OCCOCS[13CH3] 62a_200025704644_100000076355 [0,1,0,0,0,0|2,0,1]=4 1000 B9R0.2 CC(=O)OCCSCCF 62a_100009814007_100011217306 [0,1,0,0,0,0|2,0,1]=4 1001 B9R0.2 CC(=O)OCCSCCF 62a_100011217306_100009814007 [0,1,0,0,0,0|2,0,1]=4 1002 B9R0.2 CC(=O)OCCSCCO 62a_100000211926_100009814007 [0,1,0,0,0,0|2,0,1]=4 1003 B9R0.2 CC(=O)OCCSCCO 62a_100009814007_100000211926 [0,1,0,0,0,0|2,0,1]=4 1004 B9R0.2 CC(=O)OCNCCCF 34a_100015189416_100009813279 [0,1,0,0,0,0|2,0,1]=4 1005 B9R0.2 CC(=O)OCOCCCBr 34a_100011217188_100009813279 [0,1,0,0,0,0|2,0,1]=4 1006 B9R0.2 CC(=O)OCOCCCCl 34a_100000230001_100009813279 [0,1,0,0,0,0|2,0,1]=4 1007 B9R0.2 CC(=O)OCOCCCF 34a_100000759539_100009813279 [0,1,0,0,0,0|2,0,1]=4 1008 B9R0.2 CC(=O)OCOCCCN 34a_100000182051_100009813279 [0,1,0,0,0,0|2,0,1]=4 1009 B9R0.2 CC(=O)OCSCCCF 62a_100000076356_100011934791 [0,1,0,0,0,0|2,0,1]=4 1010 B9R0.2 CC(=O)OCSCCCF 62a_100011934791_100000076356 [0,1,0,0,0,0|2,0,1]=4 1011 B9R0.2 CC(=O)OCSCCCO 62a_100000076356_100011215043 [0,1,0,0,0,0|2,0,1]=4 1012 B9R0.2 CC(=O)OCSCCCO 62a_100011215043_100000076356 [0,1,0,0,0,0|2,0,1]=4 1013 B9R0.2 CC(=O)SCCCCS[13CH3] 62a_200010402107_200025704644 [0,1,0,0,0,0|1,0,1]=3 1014 B9R0.2 CC(=O)SCCCCS[13CH3] 62a_200025704644_200010402107 [0,1,0,0,0,0|1,0,1]=3 1015 B9R0.2 CC(=O)SCCCSCF 62a_100000038929_100015361967 [0,1,0,0,0,0|2,0,1]=4 1016 B9R0.2 CC(=O)SCCCSCF 62a_100015361967_100000038929 [0,1,0,0,0,0|2,0,1]=4 1017 B9R0.2 CC/C=C\COCC(=O)C 34a_100000211253_100103147603 [0,1,0,0,0,0|1,0,2]=4 1018 B9R0.2 CCC#CCOCC(=O)C 34a_100000211253_100009813939 [0,1,0,0,0,0|1,0,2]=4 1019 B9R0.2 CCC/C=C/C=CC(=O)C 1458a_200016258893_200000210301 [0,1,0,0,0,0|0,0,1]=2 1020 B9R0.2 CCC/C=C/C=CC(=O)[13CH3] 1458a_200016258893_200025704644 [0,1,0,0,0,0|0,0,1]=2 1021 B9R0.2 CCC=CC=NNC(=O)C 4a_100000189765_100011216943 [0,1,0,0,0,0|1,0,2]=4 1022 B9R0.2 CCCC/C=C/CC(=O)C 1458a_200016282684_200000210301 [0,1,0,0,0,0|0,0,0]=1 1023 B9R0.2 CCCC/C=C/CC(=O)[13CH3] 1458a_200016282684_200025704644 [0,1,0,0,0,0|0,0,0]=1 1024 B9R0.2 CCCCC=NNC(=O)C 4a_100000189765_100000210104 [0,1,0,0,0,0|1,0,0]=2 1025 B9R0.2 CCCCC=NNC(C)C 4a_100000741168_100000210104 [0,1,0,0,0,0|2,0,1]=4 1026 B9R0.2 CCCCCC#CC(=O)C 1458a_100011215388_200000210301 [0,1,0,0,0,0|0,0,2]=3 1027 B9R0.2 CCCCCC#CC(=O)[13CH3] 1458a_100011215388_200025704644 [0,1,0,0,0,0|0,0,2]=3 1028 B9R0.2 CCCCCC=CC(=O)C 1458a_100016263427_200000210301 [0,1,0,0,0,0|0,0,0]=1 1029 B9R0.2 CCCCCC=CC(=O)[13CH3] 1458a_100016263427_200025704644 [0,1,0,0,0,0|0,0,0]=1 1030 B9R0.2 CCCCCCCC(=O)C 1458a_100000070787_100000210614 [0,1,0,0,0,0|0,0,2]=3 1031 B9R0.2 CCCCCCCC(=O)C 1458a_100000211969_200000210301 [0,1,0,0,0,0|0,0,2]=3 1032 B9R0.2 CCCCCCCC(=O)[13CH3] 1458a_100000211969_200025704644 [0,1,0,0,0,0|0,0,2]=3 1033 B9R0.2 CCCCCCNC(=O)C 11a_100000210581_100015343762 [0,1,0,0,0,0|0,0,2]=3 1034 B9R0.2 CCCCCCNC(=O)C 1626a_100000210581_100015343762 [0,1,0,0,0,0|0,0,2]=3 1035 B9R0.2 CCCCCCNC(=O)C 240690a_100000210581_100015343762 [0,1,0,0,0,0|0,0,2]=3 1036 B9R0.2 CCCCCCNC(=O)C 527a_100000210581_100103153847 [0,1,0,0,0,0|0,0,2]=3 1037 B9R0.2 CCCCCNCC(=O)N 2230a_100000209983_100000747473 [0,1,0,0,0,0|1,0,2]=4 1038 B9R0.2 CCCCCNCC(=O)N 2230a_100000711301_100000210326 [0,1,0,0,0,0|1,0,2]=4 1039 B9R0.2 CCCCCNCC(=O)O 269956a_100016091260_100000210326 [0,1,0,0,0,0|1,0,2]=4 1040 B9R0.2 CCCCCNNC(=O)C 22a_100000694160_100000070787 [0,1,0,0,0,0|1,0,1]=3 1041 B9R0.2 CCCCCOCC(=O)C 34a_100000211253_100000718602 [0,1,0,0,0,0|0,0,2]=3 1042 B9R0.2 CCCCCOCC(=O)N 34a_100000210253_100000187820 [0,1,0,0,0,0|1,0,2]=4 1043 B9R0.2 CCCCCOCC(=O)N 7a_100000210253_100000187820 [0,1,0,0,0,0|1,0,2]=4 1044 B9R0.2 CCCCCOCC(=O)[O-] 34a_100000210253_100020667443 [0,1,0,0,0,0|1,0,2]=4 1045 B9R0.2 CCCCCSCC(=O)N 62a_100000210326_100000747473 [0,1,0,0,0,0|1,0,2]=4 1046 B9R0.2 CCCCCSCC(=O)N 62a_100000747473_100000210326 [0,1,0,0,0,0|1,0,2]=4 1047 B9R0.2 CCCCCSCC(=O)[O-] 62a_100000210326_100020667443 [0,1,0,0,0,0|1,0,2]=4 1048 B9R0.2 CCCCCSCC(=O)[O-] 62a_100020667443_100000210326 [0,1,0,0,0,0|1,0,2]=4 1049 B9R0.2 CCCCNCC=C(C)C 2230a_100000102301_100000761012 [0,1,0,0,0,0|1,0,1]=3 1050 B9R0.2 CCCCNCC=C(C)C 34a_100000718196_100000210210 [0,1,0,0,0,0|1,0,1]=3 1051 B9R0.2 CCCCNCC=C(C)C 7a_106832991798_100000761012 [0,1,0,0,0,0|1,0,1]=3 1052 B9R0.2 CCCCNCCC(=O)C 7a_106832991798_100000053229 [0,1,0,0,0,0|0,0,2]=3 1053 B9R0.2 CCCCNCCC(=O)N 2230a_100000102301_100000744528 [0,1,0,0,0,0|1,0,2]=4 1054 B9R0.2 CCCCNCCC(=O)N 7a_106832991798_100000744528 [0,1,0,0,0,0|1,0,2]=4 1055 B9R0.2 CCCCNN=CC(C)C 4a_100025702795_100000210432 [0,1,0,0,0,0|2,0,1]=4 1056 B9R0.2 CCCCNOCC(=O)O 269956a_100000106656_100000210211 [0,1,0,0,0,0|2,0,1]=4 1057 B9R0.2 CCCCOCC=C(C)C 34a_100000210227_100000761012 [0,1,0,0,0,0|1,0,1]=3 1058 B9R0.2 CCCCOCC=C(C)C 34a_100000753907_100000210210 [0,1,0,0,0,0|1,0,1]=3 1059 B9R0.2 CCCCOCC=C(C)C 7a_100000210227_100000761012 [0,1,0,0,0,0|1,0,1]=3 1060 B9R0.2 CCCCOCCC(=O)C 1458a_100000070787_100000743108 [0,1,0,0,0,0|0,0,2]=3 1061 B9R0.2 CCCCOCCC(=O)C 34a_100000759926_100000210210 [0,1,0,0,0,0|0,0,2]=3 1062 B9R0.2 CCCCOCCC(=O)C 7a_100000210227_100000053229 [0,1,0,0,0,0|0,0,2]=3 1063 B9R0.2 CCCCOCCC(=O)C 7a_100000759926_100000210211 [0,1,0,0,0,0|0,0,2]=3 1064 B9R0.2 CCCCOCCC(=O)N 34a_100000210227_100000731001 [0,1,0,0,0,0|1,0,2]=4 1065 B9R0.2 CCCCOCCC(=O)N 34a_100000757172_100000210210 [0,1,0,0,0,0|1,0,2]=4 1066 B9R0.2 CCCCOCCC(=O)N 7a_100000210227_100000744528 [0,1,0,0,0,0|1,0,2]=4 1067 B9R0.2 CCCCOCCC(=O)N 7a_100000757172_100000210211 [0,1,0,0,0,0|1,0,2]=4 1068 B9R0.2 CCCCOCOC(=O)C 34a_100000210227_100009813279 [0,1,0,0,0,0|1,0,1]=3 1069 B9R0.2 CCCCSCC=C(C)C 62a_100000210211_100000761012 [0,1,0,0,0,0|1,0,1]=3 1070 B9R0.2 CCCCSCC=C(C)C 62a_100000761012_100000210210 [0,1,0,0,0,0|1,0,1]=3 1071 B9R0.2 CCCCSCCC(=O)C 62a_100000053229_100000210210 [0,1,0,0,0,0|0,0,2]=3 1072 B9R0.2 CCCCSCCC(=O)C 62a_100000210211_100000053229 [0,1,0,0,0,0|0,0,2]=3 1073 B9R0.2 CCCCSCCC(=O)N 62a_100000210211_100000744528 [0,1,0,0,0,0|1,0,2]=4 1074 B9R0.2 CCCCSCCC(=O)N 62a_100000744528_100000210210 [0,1,0,0,0,0|1,0,2]=4 1075 B9R0.2 CCCCSCOC(=O)C 62a_100000076356_100000210210 [0,1,0,0,0,0|1,0,1]=3 1076 B9R0.2 CCCCSCOC(=O)C 62a_100000210211_100000076356 [0,1,0,0,0,0|1,0,1]=3 1077 B9R0.2 CCCNCCCC(=O)N 34a_100000739312_100000210303 [0,1,0,0,0,0|1,0,2]=4 1078 B9R0.2 CCCNCCCS(=O)C 2230a_200000753449_100000210303 [0,1,0,0,0,0|1,0,2]=4 1079 B9R0.2 CCCNCCNC(=O)C 2230a_100000209853_100000210303 [0,1,0,0,0,0|1,0,1]=3 1080 B9R0.2 CCCNCCNC(=O)N 34a_100020590234_100000210303 [0,1,0,0,0,0|2,0,1]=4 1081 B9R0.2 CCCNN=CC=C(C)C 4a_100000740057_100011215525 [0,1,0,0,0,0|2,0,0]=3 1082 B9R0.2 CCCOC/C=C/B(O)O 34a_100000210258_100016262062 [0,1,0,0,0,0|2,0,1]=4 1083 B9R0.2 CCCOCCC=C(C)C 34a_100000210258_100011217483 [0,1,0,0,0,0|1,0,1]=3 1084 B9R0.2 CCCOCCC=C(F)F 34a_100000210258_200009816681 [0,1,0,0,0,0|2,0,1]=4 1085 B9R0.2 CCCOCCCC(=O)C 34a_100000210258_100000685027 [0,1,0,0,0,0|0,0,2]=3 1086 B9R0.2 CCCOCCCC(=O)C 34a_100000759063_100000210303 [0,1,0,0,0,0|0,0,2]=3 1087 B9R0.2 CCCOCCCC(=O)C 7a_100000759063_100000210303 [0,1,0,0,0,0|0,0,2]=3 1088 B9R0.2 CCCOCCCC(=O)N 34a_100000210258_100102525003 [0,1,0,0,0,0|1,0,2]=4 1089 B9R0.2 CCCOCCNC(=O)C 1626a_100161115042_100015343762 [0,1,0,0,0,0|1,0,1]=3 1090 B9R0.2 CCCOCCNC(=O)C 240690a_100161115042_100015343762 [0,1,0,0,0,0|1,0,1]=3 1091 B9R0.2 CCCOCCNC(=O)C 34a_100000158858_100000210303 [0,1,0,0,0,0|1,0,1]=3 1092 B9R0.2 CCCOCCNC(=O)C 527a_100161115042_100103153847 [0,1,0,0,0,0|1,0,1]=3 1093 B9R0.2 CCCOCCNC(=O)N 34a_100000181757_100000210303 [0,1,0,0,0,0|2,0,1]=4 1094 B9R0.2 CCCOCCOC(=O)C 34a_100000210258_100009814007 [0,1,0,0,0,0|1,0,1]=3 1095 B9R0.2 CCCOCCOC(=O)N 34a_100000210258_200011214921 [0,1,0,0,0,0|2,0,1]=4 1096 B9R0.2 CCCOCCOC(=O)N 7a_100000766696_100000210303 [0,1,0,0,0,0|2,0,1]=4 1097 B9R0.2 CCCSC/C=C/B(O)O 62a_100000210303_100016262062 [0,1,0,0,0,0|2,0,1]=4 1098 B9R0.2 CCCSC/C=C/B(O)O 62a_100016262062_100000210303 [0,1,0,0,0,0|2,0,1]=4 1099 B9R0.2 CCCSCCC=C(C)C 62a_100000210303_100011217483 [0,1,0,0,0,0|1,0,1]=3 1100 B9R0.2 CCCSCCC=C(C)C 62a_100011217483_100000210303 [0,1,0,0,0,0|1,0,1]=3 1101 B9R0.2 CCCSCCC=C(F)F 62a_100000210303_200009816681 [0,1,0,0,0,0|2,0,1]=4 1102 B9R0.2 CCCSCCC=C(F)F 62a_200009816681_100000210303 [0,1,0,0,0,0|2,0,1]=4 1103 B9R0.2 CCCSCCCC(=O)C 62a_100000210303_100011215641 [0,1,0,0,0,0|0,0,2]=3 1104 B9R0.2 CCCSCCCC(=O)C 62a_100011215641_100000210303 [0,1,0,0,0,0|0,0,2]=3 1105 B9R0.2 CCCSCCCC(=O)N 62a_100000210303_100102525003 [0,1,0,0,0,0|1,0,2]=4 1106 B9R0.2 CCCSCCCC(=O)N 62a_100102525003_100000210303 [0,1,0,0,0,0|1,0,2]=4 1107 B9R0.2 CCCSCCNC(=O)C 11a_100020603323_100015343762 [0,1,0,0,0,0|1,0,1]=3 1108 B9R0.2 CCCSCCNC(=O)C 240690a_100020603323_100015343762 [0,1,0,0,0,0|1,0,1]=3 1109 B9R0.2 CCCSCCNC(=O)C 527a_100020603323_100103153847 [0,1,0,0,0,0|1,0,1]=3 1110 B9R0.2 CCCSCCNC(=O)C 62a_100000189650_100000210303 [0,1,0,0,0,0|1,0,1]=3 1111 B9R0.2 CCCSCCNC(=O)C 62a_100000210303_100000189650 [0,1,0,0,0,0|1,0,1]=3 1112 B9R0.2 CCCSCCNC(=O)N 62a_100000210303_200000034859 [0,1,0,0,0,0|2,0,1]=4 1113 B9R0.2 CCCSCCNC(=O)N 62a_200000034859_100000210303 [0,1,0,0,0,0|2,0,1]=4 1114 B9R0.2 CCCSCCOC(=O)C 62a_100000210303_100009814007 [0,1,0,0,0,0|1,0,1]=3 1115 B9R0.2 CCCSCCOC(=O)C 62a_100009814007_100000210303 [0,1,0,0,0,0|1,0,1]=3 1116 B9R0.2 CCCSCCOC(=O)N 62a_100000210303_200011214921 [0,1,0,0,0,0|2,0,1]=4 1117 B9R0.2 CCCSCCOC(=O)N 62a_200011214921_100000210303 [0,1,0,0,0,0|2,0,1]=4 1118 B9R0.2 CCNCCCCC(=O)N 34a_100000696515_100000210202 [0,1,0,0,0,0|1,0,2]=4 1119 B9R0.2 CCNCCCNC(=O)C 34a_100000736810_100000210202 [0,1,0,0,0,0|1,0,1]=3 1120 B9R0.2 CCNCCCOC(=S)C 2230a_100015525214_200135323944 [0,1,0,0,0,0|1,1,1]=4 1121 B9R0.2 CCNCCCSC(=O)C 2230a_100015525214_100000038929 [0,1,0,0,0,0|1,0,1]=3 1122 B9R0.2 CCNCCOCC(=O)N 2230a_100015525214_100000076697 [0,1,0,0,0,0|2,0,1]=4 1123 B9R0.2 CCNCCOCC(=O)O 269956a_100000700818_100000210202 [0,1,0,0,0,0|2,0,1]=4 1124 B9R0.2 CCOCCCCC(=O)C 34a_100121572206_100009817362 [0,1,0,0,0,0|0,0,2]=3 1125 B9R0.2 CCOCCCCC(=O)N 34a_100012022536_100000210202 [0,1,0,0,0,0|1,0,2]=4 1126 B9R0.2 CCOCCCCC(=O)N 7a_100012022536_100000210202 [0,1,0,0,0,0|1,0,2]=4 1127 B9R0.2 CCOCCCNC(=O)C 11a_100000210961_100015343762 [0,1,0,0,0,0|1,0,1]=3 1128 B9R0.2 CCOCCCNC(=O)C 1626a_100000210961_100015343762 [0,1,0,0,0,0|1,0,1]=3 1129 B9R0.2 CCOCCCNC(=O)C 240690a_100000210961_100015343762 [0,1,0,0,0,0|1,0,1]=3 1130 B9R0.2 CCOCCCNC(=O)C 34a_100000752032_100000210202 [0,1,0,0,0,0|1,0,1]=3 1131 B9R0.2 CCOCCCNC(=O)C 527a_100000210961_100103153847 [0,1,0,0,0,0|1,0,1]=3 1132 B9R0.2 CCOCCCOC(=O)C 34a_100121572206_100000042594 [0,1,0,0,0,0|1,0,1]=3 1133 B9R0.2 CCOCCCOC(=S)C 34a_100121572206_200135323944 [0,1,0,0,0,0|1,1,1]=4 1134 B9R0.2 CCOCCCSC(=O)C 34a_100121572206_100000038929 [0,1,0,0,0,0|1,0,1]=3 1135 B9R0.2 CCOCCNCC(=O)N 2230a_100000711301_100011215890 [0,1,0,0,0,0|2,0,1]=4 1136 B9R0.2 CCOCCNCC(=O)N 2230a_102516460346_100000747473 [0,1,0,0,0,0|2,0,1]=4 1137 B9R0.2 CCOCCNCC(=O)N 34a_102516460346_100000187820 [0,1,0,0,0,0|2,0,1]=4 1138 B9R0.2 CCOCCNCC(=O)O 269956a_100016091260_100000210147 [0,1,0,0,0,0|2,0,1]=4 1139 B9R0.2 CCOCCNCC(=O)[O-] 34a_102516460346_100020667443 [0,1,0,0,0,0|2,0,1]=4 1140 B9R0.2 CCOCCNNC(=O)C 22a_100000732670_100000070787 [0,1,0,0,0,0|2,0,0]=3 1141 B9R0.2 CCOCCOCC(=O)C 34a_100000211253_100000210147 [0,1,0,0,0,0|1,0,1]=3 1142 B9R0.2 CCOCCOCC(=O)N 34a_100000210136_100000187820 [0,1,0,0,0,0|2,0,1]=4 1143 B9R0.2 CCOCCOCC(=O)N 34a_100121572206_100000076697 [0,1,0,0,0,0|2,0,1]=4 1144 B9R0.2 CCOCCOCC(=O)N 7a_100000210136_100000187820 [0,1,0,0,0,0|2,0,1]=4 1145 B9R0.2 CCOCCOCC(=O)[O-] 34a_100000210136_100020667443 [0,1,0,0,0,0|2,0,1]=4 1146 B9R0.2 CCOCCSCC(=O)N 62a_100000210147_100000747473 [0,1,0,0,0,0|2,0,1]=4 1147 B9R0.2 CCOCCSCC(=O)N 62a_100000747473_100011215890 [0,1,0,0,0,0|2,0,1]=4 1148 B9R0.2 CCOCCSCC(=O)[O-] 62a_100000210147_100020667443 [0,1,0,0,0,0|2,0,1]=4 1149 B9R0.2 CCOCCSCC(=O)[O-] 62a_100020667443_100011215890 [0,1,0,0,0,0|2,0,1]=4 1150 B9R0.2 CCOCSCC=C(C)C 62a_100000739092_100000761012 [0,1,0,0,0,0|2,0,1]=4 1151 B9R0.2 CCOCSCC=C(C)C 62a_100000761012_100000739092 [0,1,0,0,0,0|2,0,1]=4 1152 B9R0.2 CCOCSCCC(=O)C 62a_100000053229_100000739092 [0,1,0,0,0,0|1,0,2]=4 1153 B9R0.2 CCOCSCCC(=O)C 62a_100000739092_100000053229 [0,1,0,0,0,0|1,0,2]=4 1154 B9R0.2 CCOCSCOC(=O)C 62a_100000076356_100000739092 [0,1,0,0,0,0|2,0,1]=4 1155 B9R0.2 CCOCSCOC(=O)C 62a_100000739092_100000076356 [0,1,0,0,0,0|2,0,1]=4 1156 B9R0.2 CCSCCCCC(=O)C 62a_100000210202_100000735457 [0,1,0,0,0,0|0,0,2]=3 1157 B9R0.2 CCSCCCCC(=O)C 62a_100000735457_100000210202 [0,1,0,0,0,0|0,0,2]=3 1158 B9R0.2 CCSCCCOC(=O)C 62a_100000042594_100000210202 [0,1,0,0,0,0|1,0,1]=3 1159 B9R0.2 CCSCCCOC(=O)C 62a_100000210202_100000042594 [0,1,0,0,0,0|1,0,1]=3 1160 B9R0.2 CCSCCCOC(=S)C 62a_100000210202_200135323944 [0,1,0,0,0,0|1,1,1]=4 1161 B9R0.2 CCSCCCOC(=S)C 62a_200135323944_100000210202 [0,1,0,0,0,0|1,1,1]=4 1162 B9R0.2 CCSCCCSC(=O)C 62a_100000038929_100000210202 [0,1,0,0,0,0|1,0,1]=3 1163 B9R0.2 CCSCCCSC(=O)C 62a_100000210202_100000038929 [0,1,0,0,0,0|1,0,1]=3 1164 B9R0.2 CCSCCNCC(=O)N 2230a_100000106463_100000747473 [0,1,0,0,0,0|2,0,1]=4 1165 B9R0.2 CCSCCNCC(=O)N 2230a_100000711301_100000757381 [0,1,0,0,0,0|2,0,1]=4 1166 B9R0.2 CCSCCNCC(=O)O 269956a_100016091260_100000757381 [0,1,0,0,0,0|2,0,1]=4 1167 B9R0.2 CCSCCOCC(=O)C 34a_100000211253_100000757381 [0,1,0,0,0,0|1,0,1]=3 1168 B9R0.2 CCSCCOCC(=O)N 34a_100000212035_100000187820 [0,1,0,0,0,0|2,0,1]=4 1169 B9R0.2 CCSCCOCC(=O)N 62a_100000076697_100000210202 [0,1,0,0,0,0|2,0,1]=4 1170 B9R0.2 CCSCCOCC(=O)N 62a_100000210202_100000076697 [0,1,0,0,0,0|2,0,1]=4 1171 B9R0.2 CCSCCOCC(=O)N 7a_100000212035_100000187820 [0,1,0,0,0,0|2,0,1]=4 1172 B9R0.2 CCSCCOCC(=O)[O-] 34a_100000212035_100020667443 [0,1,0,0,0,0|2,0,1]=4 1173 B9R0.2 CCSCCSCC(=O)N 62a_100000747473_100000757381 [0,1,0,0,0,0|2,0,1]=4 1174 B9R0.2 CCSCCSCC(=O)N 62a_100000757381_100000747473 [0,1,0,0,0,0|2,0,1]=4 1175 B9R0.2 CCSCCSCC(=O)[O-] 62a_100000757381_100020667443 [0,1,0,0,0,0|2,0,1]=4 1176 B9R0.2 CCSCCSCC(=O)[O-] 62a_100020667443_100000757381 [0,1,0,0,0,0|2,0,1]=4 1177 B9R0.2 CNCCC/C=C/B(O)O 2230a_106832991635_200016261450 [0,1,0,0,0,0|2,0,1]=4 1178 B9R0.2 CNCCC/C=C/B(O)O 34a_100102657272_200016261450 [0,1,0,0,0,0|2,0,1]=4 1179 B9R0.2 CNCCC/C=C/B(O)O 7a_106832991635_200016261450 [0,1,0,0,0,0|2,0,1]=4 1180 B9R0.2 CNCCCCCC(=O)N 2230a_106832991635_100009817443 [0,1,0,0,0,0|1,0,2]=4 1181 B9R0.2 CNCCCCCC(=O)N 34a_100102657272_100009817443 [0,1,0,0,0,0|1,0,2]=4 1182 B9R0.2 CNCCCCCC(=O)N 7a_106832991635_100009817443 [0,1,0,0,0,0|1,0,2]=4 1183 B9R0.2 CNCCCCNC(=O)C 2230a_200011368371_200000210301 [0,1,0,0,0,0|1,0,1]=3 1184 B9R0.2 CNCCCCNC(=O)C 34a_200011368371_200000210301 [0,1,0,0,0,0|1,0,1]=3 1185 B9R0.2 CNCCCCOC(=O)C 34a_100102657272_100000033659 [0,1,0,0,0,0|1,0,1]=3 1186 B9R0.2 CNCCCCOC(=O)C 7a_106832991635_100000033659 [0,1,0,0,0,0|1,0,1]=3 1187 B9R0.2 CNCCCCSC(=O)C 2230a_106832991635_200010402107 [0,1,0,0,0,0|1,0,1]=3 1188 B9R0.2 CNCCCCSC(=O)C 34a_100102657272_200010402107 [0,1,0,0,0,0|1,0,1]=3 1189 B9R0.2 CNCCCCSC(=O)C 7a_106832991635_200010402107 [0,1,0,0,0,0|1,0,1]=3 1190 B9R0.2 CNCCCOCC(=O)N 34a_100000213112_100000187820 [0,1,0,0,0,0|2,0,1]=4 1191 B9R0.2 CNCCCOCC(=O)[O-] 34a_100000213112_100020667443 [0,1,0,0,0,0|2,0,1]=4 1192 B9R0.2 CNCOCCOC(=O)C 34a_100102657272_100000076355 [0,1,0,0,0,0|2,0,1]=4 1193 B9R0.2 COCCC/C=C/B(O)O 34a_100138415774_200016261450 [0,1,0,0,0,0|2,0,1]=4 1194 B9R0.2 COCCCCCC(=O)C 1458a_100011935119_200000210301 [0,1,0,0,0,0|0,0,2]=3 1195 B9R0.2 COCCCCCC(=O)N 34a_100000123541_200000210301 [0,1,0,0,0,0|1,0,2]=4 1196 B9R0.2 COCCCCCC(=O)N 34a_100138415774_100009817443 [0,1,0,0,0,0|1,0,2]=4 1197 B9R0.2 COCCCCCC(=O)N 7a_100000123541_200000210301 [0,1,0,0,0,0|1,0,2]=4 1198 B9R0.2 COCCCCCC(=O)[13CH3] 1458a_100011935119_200025704644 [0,1,0,0,0,0|0,0,2]=3 1199 B9R0.2 COCCCCCC(=O)[O-] 7a_100102619762_200000210301 [0,1,0,0,0,0|1,0,2]=4 1200 B9R0.2 COCCCCOC(=O)C 34a_100000073216_200000210301 [0,1,0,0,0,0|1,0,1]=3 1201 B9R0.2 COCCCCOC(=O)C 34a_100138415774_100000033659 [0,1,0,0,0,0|1,0,1]=3 1202 B9R0.2 COCCCCOC(=O)C 7a_100000073216_200000210301 [0,1,0,0,0,0|1,0,1]=3 1203 B9R0.2 COCCCCSC(=O)C 34a_100138415774_200010402107 [0,1,0,0,0,0|1,0,1]=3 1204 B9R0.2 COCCCNCC(=O)N 2230a_100000711301_100000740836 [0,1,0,0,0,0|2,0,1]=4 1205 B9R0.2 COCCCNCC(=O)N 34a_100150723488_100000187820 [0,1,0,0,0,0|2,0,1]=4 1206 B9R0.2 COCCCNCC(=O)O 269956a_100016091260_100000740836 [0,1,0,0,0,0|2,0,1]=4 1207 B9R0.2 COCCCNCC(=O)[O-] 34a_100150723488_100020667443 [0,1,0,0,0,0|2,0,1]=4 1208 B9R0.2 COCCCNNC(=O)C 22a_100025702787_100000070787 [0,1,0,0,0,0|2,0,0]=3 1209 B9R0.2 COCCCOCC(=O)C 34a_100000211253_100000740836 [0,1,0,0,0,0|1,0,1]=3 1210 B9R0.2 COCCCOCC(=O)N 34a_100000740835_100000187820 [0,1,0,0,0,0|2,0,1]=4 1211 B9R0.2 COCCCOCC(=O)[O-] 34a_100000740835_100020667443 [0,1,0,0,0,0|2,0,1]=4 1212 B9R0.2 COCCCSCC(=O)N 62a_100000709357_100000747473 [0,1,0,0,0,0|2,0,1]=4 1213 B9R0.2 COCCCSCC(=O)N 62a_100000747473_100000709357 [0,1,0,0,0,0|2,0,1]=4 1214 B9R0.2 COCCCSCC(=O)[O-] 62a_100000709357_100020667443 [0,1,0,0,0,0|2,0,1]=4 1215 B9R0.2 COCCCSCC(=O)[O-] 62a_100020667443_100000709357 [0,1,0,0,0,0|2,0,1]=4 1216 B9R0.2 COCCNCC=C(C)C 2230a_100000209980_100000761012 [0,1,0,0,0,0|2,0,1]=4 1217 B9R0.2 COCCNCC=C(C)C 34a_100000718196_100011201679 [0,1,0,0,0,0|2,0,1]=4 1218 B9R0.2 COCCOCC=C(C)C 34a_100000210237_100000761012 [0,1,0,0,0,0|2,0,1]=4 1219 B9R0.2 COCCOCC=C(C)C 34a_100000753907_100011201679 [0,1,0,0,0,0|2,0,1]=4 1220 B9R0.2 COCCOCCC(=O)C 1458a_100000070787_100000695917 [0,1,0,0,0,0|1,0,2]=4 1221 B9R0.2 COCCOCCC(=O)C 1458a_100000745395_200000210301 [0,1,0,0,0,0|1,0,2]=4 1222 B9R0.2 COCCOCCC(=O)C 34a_100000759926_100011201679 [0,1,0,0,0,0|1,0,2]=4 1223 B9R0.2 COCCOCCC(=O)C 7a_100000759926_100000233755 [0,1,0,0,0,0|1,0,2]=4 1224 B9R0.2 COCCOCCC(=O)[13CH3] 1458a_100000745395_200025704644 [0,1,0,0,0,0|1,0,2]=4 1225 B9R0.2 COCCOCOC(=O)C 34a_100000210237_100009813279 [0,1,0,0,0,0|2,0,1]=4 1226 B9R0.2 COCCSCC=C(C)C 62a_100000233755_100000761012 [0,1,0,0,0,0|2,0,1]=4 1227 B9R0.2 COCCSCC=C(C)C 62a_100000761012_100000233755 [0,1,0,0,0,0|2,0,1]=4 1228 B9R0.2 COCCSCCC(=O)C 62a_100000053229_100000233755 [0,1,0,0,0,0|1,0,2]=4 1229 B9R0.2 COCCSCCC(=O)C 62a_100000233755_100000053229 [0,1,0,0,0,0|1,0,2]=4 1230 B9R0.2 COCCSCOC(=O)C 62a_100000076356_100000233755 [0,1,0,0,0,0|2,0,1]=4 1231 B9R0.2 COCCSCOC(=O)C 62a_100000233755_100000076356 [0,1,0,0,0,0|2,0,1]=4 1232 B9R0.2 COCNCCNC(=O)C 2230a_100000209853_100000766300 [0,1,0,0,0,0|2,0,1]=4 1233 B9R0.2 COCOCCOC(=O)C 34a_100138415774_100000076355 [0,1,0,0,0,0|2,0,1]=4 1234 B9R0.2 COCSCCC=C(C)C 62a_100000766300_100011217483 [0,1,0,0,0,0|2,0,1]=4 1235 B9R0.2 COCSCCC=C(C)C 62a_100011217483_100000766300 [0,1,0,0,0,0|2,0,1]=4 1236 B9R0.2 COCSCCCC(=O)C 62a_100000766300_100011215641 [0,1,0,0,0,0|1,0,2]=4 1237 B9R0.2 COCSCCCC(=O)C 62a_100011215641_100000766300 [0,1,0,0,0,0|1,0,2]=4 1238 B9R0.2 COCSCCNC(=O)C 62a_100000189650_100000766300 [0,1,0,0,0,0|2,0,1]=4 1239 B9R0.2 COCSCCNC(=O)C 62a_100000766300_100000189650 [0,1,0,0,0,0|2,0,1]=4 1240 B9R0.2 COCSCCOC(=O)C 62a_100000766300_100009814007 [0,1,0,0,0,0|2,0,1]=4 1241 B9R0.2 COCSCCOC(=O)C 62a_100009814007_100000766300 [0,1,0,0,0,0|2,0,1]=4 1242 B9R0.2 CSCCC/C=C/B(O)O 62a_200000210301_200016261450 [0,1,0,0,0,0|2,0,1]=4 1243 B9R0.2 CSCCC/C=C/B(O)O 62a_200016261450_200000210301 [0,1,0,0,0,0|2,0,1]=4 1244 B9R0.2 CSCCC=NNC(=O)C 4a_100000189765_100000210997 [0,1,0,0,0,0|2,0,0]=3 1245 B9R0.2 CSCCCCCC(=O)N 62a_100009817443_200000210301 [0,1,0,0,0,0|1,0,2]=4 1246 B9R0.2 CSCCCCCC(=O)N 62a_200000210301_100009817443 [0,1,0,0,0,0|1,0,2]=4 1247 B9R0.2 CSCCCCOC(=O)C 62a_100000033659_200000210301 [0,1,0,0,0,0|1,0,1]=3 1248 B9R0.2 CSCCCCOC(=O)C 62a_200000210301_100000033659 [0,1,0,0,0,0|1,0,1]=3 1249 B9R0.2 CSCCCCSC(=O)C 62a_200000210301_200010402107 [0,1,0,0,0,0|1,0,1]=3 1250 B9R0.2 CSCCCCSC(=O)C 62a_200010402107_200000210301 [0,1,0,0,0,0|1,0,1]=3 1251 B9R0.2 CSCCCNCC(=O)N 2230a_100000749238_100000747473 [0,1,0,0,0,0|2,0,1]=4 1252 B9R0.2 CSCCCOCC(=O)N 34a_100000690336_100000187820 [0,1,0,0,0,0|2,0,1]=4 1253 B9R0.2 CSCCCOCC(=O)N 7a_100000690336_100000187820 [0,1,0,0,0,0|2,0,1]=4 1254 B9R0.2 CSCCCOCC(=O)[O-] 34a_100000690336_100020667443 [0,1,0,0,0,0|2,0,1]=4 1255 B9R0.2 CSCCNCC=C(C)C 2230a_100020590264_100000761012 [0,1,0,0,0,0|2,0,1]=4 1256 B9R0.2 CSCCNCC=C(C)C 34a_100000718196_100000212216 [0,1,0,0,0,0|2,0,1]=4 1257 B9R0.2 CSCCOCC=C(C)C 34a_100000230434_100000761012 [0,1,0,0,0,0|2,0,1]=4 1258 B9R0.2 CSCCOCC=C(C)C 34a_100000753907_100000212216 [0,1,0,0,0,0|2,0,1]=4 1259 B9R0.2 CSCCOCC=C(C)C 7a_100000230434_100000761012 [0,1,0,0,0,0|2,0,1]=4 1260 B9R0.2 CSCCOCCC(=O)C 34a_100000759926_100000212216 [0,1,0,0,0,0|1,0,2]=4 1261 B9R0.2 CSCCOCCC(=O)C 7a_100000230434_100000053229 [0,1,0,0,0,0|1,0,2]=4 1262 B9R0.2 CSCCOCCC(=O)C 7a_100000759926_100000212216 [0,1,0,0,0,0|1,0,2]=4 1263 B9R0.2 CSCCOCOC(=O)C 34a_100000230434_100009813279 [0,1,0,0,0,0|2,0,1]=4 1264 B9R0.2 CSCCSCC=C(C)C 62a_100000212216_100000761012 [0,1,0,0,0,0|2,0,1]=4 1265 B9R0.2 CSCCSCC=C(C)C 62a_100000761012_100000751147 [0,1,0,0,0,0|2,0,1]=4 1266 B9R0.2 CSCCSCCC(=O)C 62a_100000053229_100000751147 [0,1,0,0,0,0|1,0,2]=4 1267 B9R0.2 CSCCSCCC(=O)C 62a_100000212216_100000053229 [0,1,0,0,0,0|1,0,2]=4 1268 B9R0.2 CSCCSCOC(=O)C 62a_100000076356_100000751147 [0,1,0,0,0,0|2,0,1]=4 1269 B9R0.2 CSCCSCOC(=O)C 62a_100000212216_100000076356 [0,1,0,0,0,0|2,0,1]=4 1270 B9R0.2 CSCNCCNC(=O)C 2230a_100000209853_100011218213 [0,1,0,0,0,0|2,0,1]=4 1271 B9R0.2 CSCOCCCC(=O)C 34a_100000759063_100011218213 [0,1,0,0,0,0|1,0,2]=4 1272 B9R0.2 CSCOCCNC(=O)C 34a_100000158858_100011218213 [0,1,0,0,0,0|2,0,1]=4 1273 B9R0.2 CSCOCCOC(=O)C 62a_100000076355_200000210301 [0,1,0,0,0,0|2,0,1]=4 1274 B9R0.2 CSCOCCOC(=O)C 62a_200000210301_100000076355 [0,1,0,0,0,0|2,0,1]=4 1275 B9R0.2 CSCSCCC=C(C)C 62a_100011217483_100011218213 [0,1,0,0,0,0|2,0,1]=4 1276 B9R0.2 CSCSCCC=C(C)C 62a_100011218213_100011217483 [0,1,0,0,0,0|2,0,1]=4 1277 B9R0.2 CSCSCCCC(=O)C 62a_100011215641_100011218213 [0,1,0,0,0,0|1,0,2]=4 1278 B9R0.2 CSCSCCCC(=O)C 62a_100011218213_100011215641 [0,1,0,0,0,0|1,0,2]=4 1279 B9R0.2 CSCSCCNC(=O)C 62a_100000189650_100011218213 [0,1,0,0,0,0|2,0,1]=4 1280 B9R0.2 CSCSCCNC(=O)C 62a_100011218213_100000189650 [0,1,0,0,0,0|2,0,1]=4 1281 B9R0.2 CSCSCCOC(=O)C 62a_100009814007_100011218213 [0,1,0,0,0,0|2,0,1]=4 1282 B9R0.2 CSCSCCOC(=O)C 62a_100011218213_100009814007 [0,1,0,0,0,0|2,0,1]=4 1283 B9R0.2 NC(=O)CNCCCCF 2230a_100000711301_100000729493 [0,1,0,0,0,0|2,0,1]=4 1284 B9R0.2 NC(=O)CNCCCCO 2230a_100000711301_100000210776 [0,1,0,0,0,0|2,0,1]=4 1285 B9R0.2 NC(=O)CNCCCCO 2230a_100000750430_100000747473 [0,1,0,0,0,0|2,0,1]=4 1286 B9R0.2 NC(=O)CNCCCCO 34a_100000750430_100000187820 [0,1,0,0,0,0|2,0,1]=4 1287 B9R0.2 NC(=O)COCCCCBr 34a_100011216708_100000187820 [0,1,0,0,0,0|2,0,1]=4 1288 B9R0.2 NC(=O)COCCCCCl 34a_100000210776_100000187820 [0,1,0,0,0,0|2,0,1]=4 1289 B9R0.2 NC(=O)COCCCCCl 7a_100000210776_100000187820 [0,1,0,0,0,0|2,0,1]=4 1290 B9R0.2 NC(=O)COCCCCF 34a_100011995726_100000187820 [0,1,0,0,0,0|2,0,1]=4 1291 B9R0.2 NC(=O)COCCCCF 7a_100011995726_100000187820 [0,1,0,0,0,0|2,0,1]=4 1292 B9R0.2 NC(=O)COCCCCI 34a_200012148704_100000187820 [0,1,0,0,0,0|2,0,1]=4 1293 B9R0.2 NC(=O)CSCCCCF 62a_100000729493_100000747473 [0,1,0,0,0,0|2,0,1]=4 1294 B9R0.2 NC(=O)CSCCCCF 62a_100000747473_100000729493 [0,1,0,0,0,0|2,0,1]=4 1295 B9R0.2 NC(=O)CSCCCCO 62a_100000210776_100000747473 [0,1,0,0,0,0|2,0,1]=4 1296 B9R0.2 NC(=O)CSCCCCO 62a_100000747473_100000210776 [0,1,0,0,0,0|2,0,1]=4 1297 B9R0.2 NCCCCOCC(=O)N 34a_100000750430_100000187820 [0,1,0,0,0,0|2,0,1]=4 1298 B9R0.2 NCCCCOCC(=O)[O-] 34a_100000750430_100020667443 [0,1,0,0,0,0|2,0,1]=4 1299 B9R0.2 O=C(O)CNCCCCF 269956a_100016091260_100000729493 [0,1,0,0,0,0|2,0,1]=4 1300 B9R0.2 O=C(O)CNCCCCO 269956a_100016091260_100000210776 [0,1,0,0,0,0|2,0,1]=4 1301 B9R0.2 O=C([O-])CNCCCCO 34a_100000750430_100020667443 [0,1,0,0,0,0|2,0,1]=4 1302 B9R0.2 O=C([O-])COCCCCBr 34a_100011216708_100020667443 [0,1,0,0,0,0|2,0,1]=4 1303 B9R0.2 O=C([O-])COCCCCCl 34a_100000210776_100020667443 [0,1,0,0,0,0|2,0,1]=4 1304 B9R0.2 O=C([O-])COCCCCF 34a_100011995726_100020667443 [0,1,0,0,0,0|2,0,1]=4 1305 B9R0.2 O=C([O-])COCCCCI 34a_200012148704_100020667443 [0,1,0,0,0,0|2,0,1]=4 1306 B9R0.2 O=C([O-])CSCCCCF 62a_100000729493_100020667443 [0,1,0,0,0,0|2,0,1]=4 1307 B9R0.2 O=C([O-])CSCCCCF 62a_100020667443_100000729493 [0,1,0,0,0,0|2,0,1]=4 1308 B9R0.2 O=C([O-])CSCCCCO 62a_100000210776_100020667443 [0,1,0,0,0,0|2,0,1]=4 1309 B9R0.2 O=C([O-])CSCCCCO 62a_100020667443_100000210776 [0,1,0,0,0,0|2,0,1]=4 1310 B9R0.2 [13CH3]C(=O)CCCCCCO 1458a_100011996774_200025704644 [0,1,0,0,0,0|0,0,2]=3 1311 B9R0.2 [13CH3]OCCCCCC(=O)N 34a_100000123541_200025704644 [0,1,0,0,0,0|1,0,2]=4 1312 B9R0.2 [13CH3]OCCCCCC(=O)N 7a_100000123541_200025704644 [0,1,0,0,0,0|1,0,2]=4 1313 B9R0.2 [13CH3]OCCCCCC(=O)[O-] 7a_100102619762_200025704644 [0,1,0,0,0,0|1,0,2]=4 1314 B9R0.2 [13CH3]SCCC/C=C/B(O)O 62a_200016261450_200025704644 [0,1,0,0,0,0|2,0,1]=4 1315 B9R0.2 [13CH3]SCCC/C=C/B(O)O 62a_200025704644_200016261450 [0,1,0,0,0,0|2,0,1]=4 1316 B9R0.2 [13CH3]SCCCCCC(=O)N 62a_100009817443_200025704644 [0,1,0,0,0,0|1,0,2]=4 1317 B9R0.2 [13CH3]SCCCCCC(=O)N 62a_200025704644_100009817443 [0,1,0,0,0,0|1,0,2]=4 1318 B9R0.4 C#CCCC(=O)C=C(C)C 1458a_100000211388_100000753159 [0,1,0,0,0,0|1,0,2]=4 1319 B9R0.4 C#CCCC(=O)C=C(C)Cl 1458a_200042562850_100000753159 [0,1,0,0,0,0|1,0,2]=4 1320 B9R0.4 C#CCCC(=O)C=C(C)I 1458a_100025716642_100000753159 [0,1,0,0,0,0|1,0,2]=4 1321 B9R0.4 C/C=C/CC(=O)C=C(C)C 1458a_100000211388_100102629194 [0,1,0,0,0,0|1,0,2]=4 1322 B9R0.4 C/C=C/CC(=O)C=C(C)Cl 1458a_200042562850_100102629194 [0,1,0,0,0,0|1,0,2]=4 1323 B9R0.4 C/C=C/CC(=O)C=C(C)I 1458a_100025716642_100102629194 [0,1,0,0,0,0|1,0,2]=4 1324 B9R0.4 C=C(C)CC(=O)CCCC 1458a_100000210183_100000748629 [0,1,0,0,0,0|1,0,1]=3 1325 B9R0.4 C=C(C)CC(=O)CCOC 1458a_100000749529_100000748629 [0,1,0,0,0,0|2,0,1]=4 1326 B9R0.4 C=C(C)CC(=O)CCSC 1458a_100000174002_100000748629 [0,1,0,0,0,0|2,0,1]=4 1327 B9R0.4 C=C(C)CC(=O)COCC 1458a_100000211967_100000748629 [0,1,0,0,0,0|2,0,1]=4 1328 B9R0.4 C=C(C)CC(=O)CSCC 1458a_100000230394_100000748629 [0,1,0,0,0,0|2,0,1]=4 1329 B9R0.4 C=C(C)CN(C)CCCC 2230a_100000207549_100000748629 [0,1,0,0,0,0|2,0,1]=4 1330 B9R0.4 C=C(C)CN(C)CCCC 2230a_100000225649_100000210211 [0,1,0,0,0,0|2,0,1]=4 1331 B9R0.4 C=C(C)CN(C)CCCC 269982a_100000207549_100000748629 [0,1,0,0,0,0|2,0,1]=4 1332 B9R0.4 C=C(C)CN(C)CCCC 269982a_100000225649_100000210211 [0,1,0,0,0,0|2,0,1]=4 1333 B9R0.4 C=C(CC(=O)C)OCOC 1458a_100000070787_100000042856 [0,1,0,0,0,0|2,0,1]=4 1334 B9R0.4 C=C(F)CC(=O)CCCC 1458a_100000210183_100009893438 [0,1,0,0,0,0|1,0,2]=4 1335 B9R0.4 C=CCCC(=O)C=C(C)C 1458a_100000211388_100000754431 [0,1,0,0,0,0|1,0,2]=4 1336 B9R0.4 C=CCCC(=O)C=C(C)Cl 1458a_200042562850_100000754431 [0,1,0,0,0,0|1,0,2]=4 1337 B9R0.4 C=CCCC(=O)C=C(C)I 1458a_100025716642_100000754431 [0,1,0,0,0,0|1,0,2]=4 1338 B9R0.4 CC#CCC(=O)C=C(C)C 1458a_100000211388_100000748600 [0,1,0,0,0,0|1,0,2]=4 1339 B9R0.4 CC#CCC(=O)C=C(C)Cl 1458a_200042562850_100000748600 [0,1,0,0,0,0|1,0,2]=4 1340 B9R0.4 CC#CCC(=O)C=C(C)I 1458a_100025716642_100000748600 [0,1,0,0,0,0|1,0,2]=4 1341 B9R0.4 CC(=CC(=O)CCC#N)C 1458a_100000211388_100011215226 [0,1,0,0,0,0|2,0,1]=4 1342 B9R0.4 CC(=CC(=O)CCC#N)Cl 1458a_200042562850_100011215226 [0,1,0,0,0,0|2,0,1]=4 1343 B9R0.4 CC(=CC(=O)CCC#N)I 1458a_100025716642_100011215226 [0,1,0,0,0,0|2,0,1]=4 1344 B9R0.4 CC(=CC(=O)CCCF)C 1458a_100000211388_100011934791 [0,1,0,0,0,0|2,0,0]=3 1345 B9R0.4 CC(=CC(=O)CCCF)Cl 1458a_200042562850_100011934791 [0,1,0,0,0,0|2,0,0]=3 1346 B9R0.4 CC(=CC(=O)CCCF)I 1458a_100025716642_100011934791 [0,1,0,0,0,0|2,0,0]=3 1347 B9R0.4 CC(=CC(=O)CCCO)C 1458a_100000211388_100011215043 [0,1,0,0,0,0|2,0,0]=3 1348 B9R0.4 CC(=CC(=O)CCCO)Cl 1458a_200042562850_100011215043 [0,1,0,0,0,0|2,0,0]=3 1349 B9R0.4 CC(=CC(=O)CCCO)I 1458a_100025716642_100011215043 [0,1,0,0,0,0|2,0,0]=3 1350 B9R0.4 CC(=CC(=O)NCCF)C 11a_100000724931_100000211388 [0,1,0,0,0,0|3,0,0]=4 1351 B9R0.4 CC(=CC(=O)NCCF)C 1626a_100000724931_100000211388 [0,1,0,0,0,0|3,0,0]=4 1352 B9R0.4 CC(=CC(=O)NCCF)C 240690a_100000724931_100000211388 [0,1,0,0,0,0|3,0,0]=4 1353 B9R0.4 CC(=CC(=O)NCCF)Cl 11a_100000724931_200042562850 [0,1,0,0,0,0|3,0,0]=4 1354 B9R0.4 CC(=CC(=O)NCCF)Cl 1626a_100000724931_200042562850 [0,1,0,0,0,0|3,0,0]=4 1355 B9R0.4 CC(=CC(=O)NCCF)Cl 240690a_100000724931_200042562850 [0,1,0,0,0,0|3,0,0]=4 1356 B9R0.4 CC(=CC(=O)NCCF)I 11a_100000724931_100025716642 [0,1,0,0,0,0|3,0,0]=4 1357 B9R0.4 CC(=CC(=O)NCCF)I 1626a_100000724931_100025716642 [0,1,0,0,0,0|3,0,0]=4 1358 B9R0.4 CC(=CC(=O)NCCO)C 240690a_100000210304_100000211388 [0,1,0,0,0,0|3,0,0]=4 1359 B9R0.4 CC(=CC(=O)NCCO)Cl 240690a_100000210304_200042562850 [0,1,0,0,0,0|3,0,0]=4 1360 B9R0.4 CC(=O)NC(=O)CSCF 62a_100015361967_100000183797 [0,1,0,0,0,0|3,0,0]=4 1361 B9R0.4 CC=CCC(=O)C=C(C)C 1458a_100000211388_100000070051 [0,1,0,0,0,0|1,0,2]=4 1362 B9R0.4 CC=CCC(=O)C=C(C)Cl 1458a_200042562850_100000070051 [0,1,0,0,0,0|1,0,2]=4 1363 B9R0.4 CC=CCC(=O)C=C(C)I 1458a_100025716642_100000070051 [0,1,0,0,0,0|1,0,2]=4 1364 B9R0.4 CCCCC(=O)C=C(C)C 1458a_100000211388_100000210211 [0,1,0,0,0,0|1,0,0]=2 1365 B9R0.4 CCCCC(=O)C=C(C)Cl 1458a_200042562850_100000210211 [0,1,0,0,0,0|1,0,0]=2 1366 B9R0.4 CCCCC(=O)C=C(C)I 1458a_100025716642_100000210211 [0,1,0,0,0,0|1,0,0]=2 1367 B9R0.4 CCCCC(=O)C=C(Cl)Cl 1458a_100000137448_100000210211 [0,1,0,0,0,0|2,0,0]=3 1368 B9R0.4 CCCCC(=O)CC(=O)N 1458a_100000210183_100000187820 [0,1,0,0,0,0|1,0,1]=3 1369 B9R0.4 CCCCC(=O)CC(=O)N 1458a_100134613110_100000210211 [0,1,0,0,0,0|1,0,1]=3 1370 B9R0.4 CCCCC(=O)CC(=O)[O-] 1458a_100000210183_100020667443 [0,1,0,0,0,0|1,0,1]=3 1371 B9R0.4 CCCCC(=O)CC(C)C 1458a_100000210183_100000210624 [0,1,0,0,0,0|1,0,2]=4 1372 B9R0.4 CCCCC(=O)CC(C)C 1458a_100000210554_100000210211 [0,1,0,0,0,0|1,0,2]=4 1373 B9R0.4 CCCCC(=O)CC(C)O 1458a_100000210183_100011218427 [0,1,0,0,0,0|0,0,3]=4 1374 B9R0.4 CCCCC(=O)CN(C)C 1458a_100000750896_100000210211 [0,1,0,0,0,0|2,0,1]=4 1375 B9R0.4 CCCCC(=O)C[C@@H](C)O 1458a_100011933948_100000210211 [0,1,0,0,0,0|0,0,3]=4 1376 B9R0.4 CCCCC(=O)C[N+](=O)[O-] 1458a_100000210183_100000761209 [0,1,0,0,0,0|2,0,1]=4 1377 B9R0.4 CCCCC(=O)C[S+](C)C 1458a_200159257847_100000210211 [0,1,0,0,0,0|2,0,1]=4 1378 B9R0.4 CCCCC(=O)NC(C)C 11a_100138425928_100000210183 [0,1,0,0,0,0|2,0,1]=4 1379 B9R0.4 CCCCC(=O)NC(C)C 1626a_100138425928_100000210183 [0,1,0,0,0,0|2,0,1]=4 1380 B9R0.4 CCCCC(=O)NC(C)C 240690a_100138425928_100000210183 [0,1,0,0,0,0|2,0,1]=4 1381 B9R0.4 CCCCC(=O)NC(C)C 527a_100138425928_100000210183 [0,1,0,0,0,0|2,0,1]=4 1382 B9R0.4 CCCCC(C)NC(=O)C 11a_100000126638_100015343762 [0,1,0,0,0,0|1,0,1]=3 1383 B9R0.4 CCCCC(C)NC(=O)C 1626a_100000126638_100015343762 [0,1,0,0,0,0|1,0,1]=3 1384 B9R0.4 CCCCC(C)NC(=O)C 240690a_100000126638_100015343762 [0,1,0,0,0,0|1,0,1]=3 1385 B9R0.4 CCCCC(C)NC(=O)C 527a_100000126638_100103153847 [0,1,0,0,0,0|1,0,1]=3 1386 B9R0.4 CCCCN(C)CC(=O)N 2230a_100000207549_100000747473 [0,1,0,0,0,0|2,0,1]=4 1387 B9R0.4 CCCCN(C)CC(=O)N 2230a_100000739694_100000210211 [0,1,0,0,0,0|2,0,1]=4 1388 B9R0.4 CCCCN(C)CC(=O)N 269982a_100000207549_100000187820 [0,1,0,0,0,0|2,0,1]=4 1389 B9R0.4 CCCCN(C)CC(=O)O 269956a_100000746989_100000210211 [0,1,0,0,0,0|2,0,1]=4 1390 B9R0.4 CCCCN(C)CC(=O)[O-] 269982a_100000207549_100020667443 [0,1,0,0,0,0|2,0,1]=4 1391 B9R0.4 CCCNC(=O)C=C(C)C 11a_100020643023_100000211388 [0,1,0,0,0,0|2,0,0]=3 1392 B9R0.4 CCCNC(=O)C=C(C)C 1626a_100020643023_100000211388 [0,1,0,0,0,0|2,0,0]=3 1393 B9R0.4 CCCNC(=O)C=C(C)C 240690a_100020643023_100000211388 [0,1,0,0,0,0|2,0,0]=3 1394 B9R0.4 CCCNC(=O)C=C(C)Cl 11a_100020643023_200042562850 [0,1,0,0,0,0|2,0,0]=3 1395 B9R0.4 CCCNC(=O)C=C(C)Cl 1626a_100020643023_200042562850 [0,1,0,0,0,0|2,0,0]=3 1396 B9R0.4 CCCNC(=O)C=C(C)Cl 240690a_100020643023_200042562850 [0,1,0,0,0,0|2,0,0]=3 1397 B9R0.4 CCCNC(=O)C=C(C)I 11a_100020643023_100025716642 [0,1,0,0,0,0|2,0,0]=3 1398 B9R0.4 CCCNC(=O)C=C(C)I 1626a_100020643023_100025716642 [0,1,0,0,0,0|2,0,0]=3 1399 B9R0.4 CCCNC(=O)C=C(Cl)Cl 1626a_100020643023_100000137448 [0,1,0,0,0,0|3,0,0]=4 1400 B9R0.4 CCCNC(=O)C=C(Cl)Cl 240690a_100020643023_100000137448 [0,1,0,0,0,0|3,0,0]=4 1401 B9R0.4 CCCNC(=O)CC(=O)C 1458a_100000070787_100000183358 [0,1,0,0,0,0|1,0,1]=3 1402 B9R0.4 CCCNC(=O)CC(=O)N 240690a_100020643023_100134613110 [0,1,0,0,0,0|2,0,1]=4 1403 B9R0.4 CCCNC(=O)CC(=O)N 527a_100020643023_100134613110 [0,1,0,0,0,0|2,0,1]=4 1404 B9R0.4 CCCOC(=O)CC(=O)C 1458a_100000070787_200011215008 [0,1,0,0,0,0|1,0,1]=3 1405 B9R0.4 CCCOC(C)C=C(C)C 34a_100000717055_100000210303 [0,1,0,0,0,0|2,0,1]=4 1406 B9R0.4 CCCSC(C)OC(=O)C 62a_100000210303_100009818208 [0,1,0,0,0,0|2,0,1]=4 1407 B9R0.4 CCCSC(C)OC(=O)C 62a_100009818208_100000210303 [0,1,0,0,0,0|2,0,1]=4 1408 B9R0.4 CCNCC(=O)NC(=O)N 2230a_100015525214_100000182717 [0,1,0,0,0,0|3,0,0]=4 1409 B9R0.4 CCNNC(=O)C=C(C)C 22a_100000756455_100000211388 [0,1,0,0,0,0|3,0,0]=4 1410 B9R0.4 CCNNC(=O)C=C(C)Cl 22a_100000756455_200042562850 [0,1,0,0,0,0|3,0,0]=4 1411 B9R0.4 CCOCC(=O)CC(=O)N 1458a_100000211967_100000187820 [0,1,0,0,0,0|2,0,1]=4 1412 B9R0.4 CCOCC(=O)CC(=O)[O-] 1458a_100000211967_100020667443 [0,1,0,0,0,0|2,0,1]=4 1413 B9R0.4 CCSCC(=O)CC(=O)N 1458a_100000230394_100000187820 [0,1,0,0,0,0|2,0,1]=4 1414 B9R0.4 CCSCC(=O)CC(=O)[O-] 1458a_100000230394_100020667443 [0,1,0,0,0,0|2,0,1]=4 1415 B9R0.4 CCSCC(=O)NC(=O)C 62a_100000210202_100000183797 [0,1,0,0,0,0|2,0,0]=3 1416 B9R0.4 CCSCC(=O)NC(=O)N 62a_100000210202_100000182717 [0,1,0,0,0,0|3,0,0]=4 1417 B9R0.4 CNCCC(=O)NC(=O)N 2230a_106832991635_100000237605 [0,1,0,0,0,0|3,0,0]=4 1418 B9R0.4 CNCCC(=O)NC(=O)N 7a_106832991635_100000237605 [0,1,0,0,0,0|3,0,0]=4 1419 B9R0.4 COCCC(=O)C=C(C)C 1458a_100000211388_100000233755 [0,1,0,0,0,0|2,0,0]=3 1420 B9R0.4 COCCC(=O)C=C(C)Cl 1458a_200042562850_100000233755 [0,1,0,0,0,0|2,0,0]=3 1421 B9R0.4 COCCC(=O)C=C(C)I 1458a_100025716642_100000233755 [0,1,0,0,0,0|2,0,0]=3 1422 B9R0.4 COCCC(=O)C=C(Cl)Cl 1458a_100000137448_100000233755 [0,1,0,0,0,0|3,0,0]=4 1423 B9R0.4 COCCC(=O)CC(=O)N 1458a_100000749529_100000187820 [0,1,0,0,0,0|2,0,1]=4 1424 B9R0.4 COCCC(=O)CC(=O)N 1458a_100134613110_100000233755 [0,1,0,0,0,0|2,0,1]=4 1425 B9R0.4 COCCC(=O)CC(=O)[O-] 1458a_100000749529_100020667443 [0,1,0,0,0,0|2,0,1]=4 1426 B9R0.4 CSCCC(=O)C=C(C)C 1458a_100000211388_100000751147 [0,1,0,0,0,0|2,0,0]=3 1427 B9R0.4 CSCCC(=O)C=C(C)Cl 1458a_200042562850_100000751147 [0,1,0,0,0,0|2,0,0]=3 1428 B9R0.4 CSCCC(=O)C=C(C)I 1458a_100025716642_100000751147 [0,1,0,0,0,0|2,0,0]=3 1429 B9R0.4 CSCCC(=O)C=C(Cl)Cl 1458a_100000137448_100000751147 [0,1,0,0,0,0|3,0,0]=4 1430 B9R0.4 CSCCC(=O)CC(=O)N 1458a_100000174002_100000187820 [0,1,0,0,0,0|2,0,1]=4 1431 B9R0.4 CSCCC(=O)CC(=O)N 1458a_100134613110_100000751147 [0,1,0,0,0,0|2,0,1]=4 1432 B9R0.4 CSCCC(=O)CC(=O)[O-] 1458a_100000174002_100020667443 [0,1,0,0,0,0|2,0,1]=4 1433 B9R0.4 CSCCC(=O)NC(=O)N 62a_200000210301_100000237605 [0,1,0,0,0,0|3,0,0]=4 1434 B9R0.4 NC(=O)CC(=O)CCCF 1458a_100134613110_100011934791 [0,1,0,0,0,0|2,0,1]=4 1435 B9R0.4 NC(=O)CC(=O)CCCO 1458a_100134613110_100011215043 [0,1,0,0,0,0|2,0,1]=4 1436 B9R0.4 O=C(C=C(Cl)Cl)CCCF 1458a_100000137448_100011934791 [0,1,0,0,0,0|3,0,0]=4 1437 B9R0.4 O=C(C=C(Cl)Cl)CCCO 1458a_100000137448_100011215043 [0,1,0,0,0,0|3,0,0]=4 1438 B9R0.4 [13CH3]SCCC(=O)NC(=O)N 62a_200025704644_100000237605 [0,1,0,0,0,0|3,0,0]=4 1439 B9R0.38 CCCCCNS(=O)(=O)C 40a_100000209983_100000738038 [0,1,0,0,0,0|2,0,1]=4 1440 B9R0.38 CCCCNNS(=O)(=O)C 40a_100025702795_100000738038 [0,1,0,0,0,0|3,0,0]=4 1441 B9R0.38 CCOC/C=C/[Si](C)(C)C 7a_200016270829_100000210202 [0,1,0,0,0,0|2,1,0]=4 1442 B9R0.46 C#C/C(=C\COCCC)/C 34a_100016990848_100000210303 [0,1,0,0,0,0|2,0,1]=4 1443 B9R0.46 C#CC(=NNCCCC)C 4a_100025702795_100000690481 [0,1,0,0,0,0|3,0,0]=4 1444 B9R0.46 C#CC(=O)CCCCCC 1458a_100000211873_100000210757 [0,1,0,0,0,0|0,0,3]=4 1445 B9R0.46 C#CC(=O)COCCCC 1458a_100000211873_100011995733 [0,1,0,0,0,0|1,0,2]=4 1446 B9R0.46 C/C=C(\C)/C=NNCCC 4a_100000740057_100020587592 [0,1,0,0,0,0|3,0,0]=4 1447 B9R0.46 C=CC(=NNCCCC)C 4a_100025702795_200015361842 [0,1,0,0,0,0|3,0,0]=4 1448 B9R0.46 C=CC(=O)CCCCCC 1458a_100000185746_100000210757 [0,1,0,0,0,0|0,0,3]=4 1449 B9R0.46 C=CC(=O)COCCCC 1458a_100000185746_100011995733 [0,1,0,0,0,0|1,0,2]=4 1450 B9R0.46 C=CC(=O)NCCCCC 1626a_100000209983_100000185746 [0,1,0,0,0,0|1,0,2]=4 1451 B9R0.46 C=CC(=O)NCCCCC 240690a_100000209983_200121576911 [0,1,0,0,0,0|1,0,2]=4 1452 B9R0.46 C=CC(=O)NNCCCC 22a_100025702795_100000185746 [0,1,0,0,0,0|2,0,1]=4 1453 B9R0.46 CCC(=O)CCCCCF 1458a_100000210414_100000729378 [0,1,0,0,0,0|1,0,2]=4 1454 B9R0.46 CCC(=O)CCCCCO 1458a_100000210414_100000746330 [0,1,0,0,0,0|1,0,2]=4 1455 B9R0.46 CCC(=O)CCCCCO 1458a_100102619762_100000210202 [0,1,0,0,0,0|1,0,2]=4 1456 B9R0.46 CCC(=O)CCCCOC 1458a_100000210414_100000755781 [0,1,0,0,0,0|1,0,2]=4 1457 B9R0.46 CCC(=O)COCCCF 34a_100000725409_100011934791 [0,1,0,0,0,0|2,0,1]=4 1458 B9R0.46 CCC(=O)COCCCO 34a_100000725409_100000230001 [0,1,0,0,0,0|2,0,1]=4 1459 B9R0.46 CCC(=O)COCCOC 1458a_100000211095_100000210202 [0,1,0,0,0,0|2,0,1]=4 1460 B9R0.46 CCC(=O)COCCOC 34a_100000725409_100011201679 [0,1,0,0,0,0|2,0,1]=4 1461 B9R0.46 CCC(=O)COCCSC 34a_100000725409_100000212216 [0,1,0,0,0,0|2,0,1]=4 1462 B9R0.46 CCC(=O)COCCSC 7a_100000230434_100000747405 [0,1,0,0,0,0|2,0,1]=4 1463 B9R0.46 CCC(=O)CSCCCF 62a_100000747405_100011934791 [0,1,0,0,0,0|2,0,1]=4 1464 B9R0.46 CCC(=O)CSCCCF 62a_100011934791_100000747405 [0,1,0,0,0,0|2,0,1]=4 1465 B9R0.46 CCC(=O)CSCCCO 62a_100000747405_100011215043 [0,1,0,0,0,0|2,0,1]=4 1466 B9R0.46 CCC(=O)CSCCCO 62a_100011215043_100000747405 [0,1,0,0,0,0|2,0,1]=4 1467 B9R0.46 CCC(=O)CSCCOC 62a_100000233755_100000747405 [0,1,0,0,0,0|2,0,1]=4 1468 B9R0.46 CCC(=O)CSCCOC 62a_100000747405_100000233755 [0,1,0,0,0,0|2,0,1]=4 1469 B9R0.46 CCC(=O)CSCCSC 62a_100000212216_100000747405 [0,1,0,0,0,0|2,0,1]=4 1470 B9R0.46 CCC(=O)CSCCSC 62a_100000747405_100000751147 [0,1,0,0,0,0|2,0,1]=4 1471 B9R0.46 CCC(=O)NCCCCO 240690a_100000750430_100000210414 [0,1,0,0,0,0|2,0,1]=4 1472 B9R0.46 CCC(=O)NCCCCO 527a_100000750430_100000210414 [0,1,0,0,0,0|2,0,1]=4 1473 B9R0.46 CCC(=O)NCCCOC 1626a_100150723488_100000210414 [0,1,0,0,0,0|2,0,1]=4 1474 B9R0.46 CCC(=O)NCCCOC 240690a_100150723488_100000210414 [0,1,0,0,0,0|2,0,1]=4 1475 B9R0.46 CCC(=O)NCCCOC 527a_100150723488_100000210414 [0,1,0,0,0,0|2,0,1]=4 1476 B9R0.46 CCC(=O)NCCCSC 11a_100000749238_100000210414 [0,1,0,0,0,0|2,0,1]=4 1477 B9R0.46 CCC(=O)NCCCSC 1626a_100000749238_100000210414 [0,1,0,0,0,0|2,0,1]=4 1478 B9R0.46 CCC(=O)NCCCSC 240690a_100000749238_100000210414 [0,1,0,0,0,0|2,0,1]=4 1479 B9R0.46 CCC(=O)NCCCSC 527a_100000749238_100000210414 [0,1,0,0,0,0|2,0,1]=4 1480 B9R0.46 CCC(=O)NNCCOC 22a_100000741390_100000210414 [0,1,0,0,0,0|3,0,0]=4 1481 B9R0.46 CCC/C=C/CC(=O)CC 1458a_200016266809_100000210202 [0,1,0,0,0,0|0,0,2]=3 1482 B9R0.46 CCC/C=C/CC(=O)CF 1458a_200016266809_100015361967 [0,1,0,0,0,0|0,0,2]=3 1483 B9R0.46 CCC/C=C/CC(=O)NC 11a_106832991635_200016266809 [0,1,0,0,0,0|0,0,2]=3 1484 B9R0.46 CCC/C=C/CC(=O)NC 1626a_100102657272_200016266809 [0,1,0,0,0,0|0,0,2]=3 1485 B9R0.46 CCC/C=C/CC(=O)NC 240690a_100102657272_200016266809 [0,1,0,0,0,0|0,0,2]=3 1486 B9R0.46 CCC/C=C/CC(=O)NC 527a_100102657272_200016266809 [0,1,0,0,0,0|0,0,2]=3 1487 B9R0.46 CCCC=NNC(=O)CC 4a_100000183195_100000185831 [0,1,0,0,0,0|2,0,1]=4 1488 B9R0.46 CCCCC=CC(=O)CC 1458a_100016266645_100000210202 [0,1,0,0,0,0|0,0,0]=1 1489 B9R0.46 CCCCC=CC(=O)CF 1458a_100016266645_100015361967 [0,1,0,0,0,0|0,0,0]=1 1490 B9R0.46 CCCCC=CC(=O)NC 11a_106832991635_100016266645 [0,1,0,0,0,0|0,0,0]=1 1491 B9R0.46 CCCCC=CC(=O)NC 1626a_100102657272_100016266645 [0,1,0,0,0,0|0,0,0]=1 1492 B9R0.46 CCCCC=CC(=O)NC 240690a_100102657272_100016266645 [0,1,0,0,0,0|0,0,0]=1 1493 B9R0.46 CCCCCCC(=O)CC 1458a_100000210414_100000210757 [0,1,0,0,0,0|0,0,2]=3 1494 B9R0.46 CCCCCCC(=O)CC 1458a_100102632555_100000210202 [0,1,0,0,0,0|0,0,2]=3 1495 B9R0.46 CCCCCCC(=O)CF 1458a_100102632555_100015361967 [0,1,0,0,0,0|0,0,2]=3 1496 B9R0.46 CCCCCCC(=O)CO 1458a_100000210174_100000210757 [0,1,0,0,0,0|0,0,2]=3 1497 B9R0.46 CCCCCCC(=O)NC 11a_106832991635_100102632555 [0,1,0,0,0,0|0,0,2]=3 1498 B9R0.46 CCCCCCC(=O)NC 1626a_100102657272_100102632555 [0,1,0,0,0,0|0,0,2]=3 1499 B9R0.46 CCCCCCC(=O)NC 240690a_100102657272_100102632555 [0,1,0,0,0,0|0,0,2]=3 1500 B9R0.46 CCCCCCC(=O)NC 527a_100102657272_100102632555 [0,1,0,0,0,0|0,0,2]=3 1501 B9R0.46 CCCCCNC(=O)CC 11a_100000209983_100000210414 [0,1,0,0,0,0|1,0,1]=3 1502 B9R0.46 CCCCCNC(=O)CC 1626a_100000209983_100000210414 [0,1,0,0,0,0|1,0,1]=3 1503 B9R0.46 CCCCCNC(=O)CC 240690a_100000209983_100000210414 [0,1,0,0,0,0|1,0,1]=3 1504 B9R0.46 CCCCCNC(=O)CC 527a_100000209983_100000210414 [0,1,0,0,0,0|1,0,1]=3 1505 B9R0.46 CCCCCNC(=O)CO 240690a_100000209983_100000210174 [0,1,0,0,0,0|1,0,1]=3 1506 B9R0.46 CCCCCNC(=O)CO 527a_100000209983_100000210174 [0,1,0,0,0,0|1,0,1]=3 1507 B9R0.46 CCCCCNC(=O)NC 2708a_100000209983_106832991635 [0,1,0,0,0,0|1,0,1]=3 1508 B9R0.46 CCCCCNC(=O)NC 2708a_100102657272_100000209983 [0,1,0,0,0,0|1,0,1]=3 1509 B9R0.46 CCCCCNC(=O)NC 273464a_100000209983_100102657272 [0,1,0,0,0,0|1,0,1]=3 1510 B9R0.46 CCCCCNC(=O)NC 273464a_100102657272_100000209983 [0,1,0,0,0,0|1,0,1]=3 1511 B9R0.46 CCCCCNC(=O)NC 512a_100000209983_100102657272 [0,1,0,0,0,0|1,0,1]=3 1512 B9R0.46 CCCCCNC(=O)NC 512a_106832991638_100000209983 [0,1,0,0,0,0|1,0,1]=3 1513 B9R0.46 CCCCNCC(=O)CC 7a_106832991798_100000747405 [0,1,0,0,0,0|1,0,1]=3 1514 B9R0.46 CCCCNCC(=O)NC 2230a_100000102301_100000183359 [0,1,0,0,0,0|1,0,1]=3 1515 B9R0.46 CCCCNCC(=O)NC 2230a_100000693194_100000210211 [0,1,0,0,0,0|1,0,1]=3 1516 B9R0.46 CCCCNCC(=O)NC 7a_106832991798_100000183359 [0,1,0,0,0,0|1,0,1]=3 1517 B9R0.46 CCCCNCC(=O)OC 2230a_100000102301_100000747449 [0,1,0,0,0,0|1,0,1]=3 1518 B9R0.46 CCCCNCC(=O)OC 7a_106832991798_100000747449 [0,1,0,0,0,0|1,0,1]=3 1519 B9R0.46 CCCCNN=C(C)CF 4a_100025702795_100000039719 [0,1,0,0,0,0|3,0,0]=4 1520 B9R0.46 CCCCNN=C(C)CO 4a_100025702795_100000211253 [0,1,0,0,0,0|2,0,1]=4 1521 B9R0.46 CCCCNNC(=O)CC 22a_100025702795_100000210414 [0,1,0,0,0,0|2,0,0]=3 1522 B9R0.46 CCCCNNC(=O)CO 22a_100025702795_100000210174 [0,1,0,0,0,0|2,0,0]=3 1523 B9R0.46 CCCCNNC(=O)NC 273464a_100102657272_100025702795 [0,1,0,0,0,0|2,0,0]=3 1524 B9R0.46 CCCCNNC(=O)NC 512a_100025702795_100102657272 [0,1,0,0,0,0|2,0,0]=3 1525 B9R0.46 CCCCNNC(=O)NC 512a_106832991638_100025702795 [0,1,0,0,0,0|2,0,0]=3 1526 B9R0.46 CCCCOCC(=O)CC 1458a_100000210414_100011995733 [0,1,0,0,0,0|1,0,1]=3 1527 B9R0.46 CCCCOCC(=O)CC 1458a_100000757543_100000210202 [0,1,0,0,0,0|1,0,1]=3 1528 B9R0.46 CCCCOCC(=O)CC 34a_100000725409_100000210210 [0,1,0,0,0,0|1,0,1]=3 1529 B9R0.46 CCCCOCC(=O)CC 7a_100000210227_100000747405 [0,1,0,0,0,0|1,0,1]=3 1530 B9R0.46 CCCCOCC(=O)CF 1458a_100000757543_100015361967 [0,1,0,0,0,0|1,0,1]=3 1531 B9R0.46 CCCCOCC(=O)CO 1458a_100000210174_100011995733 [0,1,0,0,0,0|1,0,1]=3 1532 B9R0.46 CCCCOCC(=O)NC 11a_106832991635_100000757543 [0,1,0,0,0,0|1,0,1]=3 1533 B9R0.46 CCCCOCC(=O)NC 1626a_100102657272_100000757543 [0,1,0,0,0,0|1,0,1]=3 1534 B9R0.46 CCCCOCC(=O)NC 240690a_100102657272_100000757543 [0,1,0,0,0,0|1,0,1]=3 1535 B9R0.46 CCCCOCC(=O)NC 34a_100000210227_100000183359 [0,1,0,0,0,0|1,0,1]=3 1536 B9R0.46 CCCCOCC(=O)NC 34a_100000750040_100000210210 [0,1,0,0,0,0|1,0,1]=3 1537 B9R0.46 CCCCOCC(=O)NC 527a_100102657272_100000757543 [0,1,0,0,0,0|1,0,1]=3 1538 B9R0.46 CCCCOCC(=O)NC 7a_100000210227_100000183359 [0,1,0,0,0,0|1,0,1]=3 1539 B9R0.46 CCCCOCC(=O)OC 34a_100000210227_100000747449 [0,1,0,0,0,0|1,0,1]=3 1540 B9R0.46 CCCCOCC(=O)OC 7a_100000210227_100000747449 [0,1,0,0,0,0|1,0,1]=3 1541 B9R0.46 CCCCSCC(=O)CC 1458a_100000191162_100000210202 [0,1,0,0,0,0|1,0,1]=3 1542 B9R0.46 CCCCSCC(=O)CC 62a_100000210211_100000747405 [0,1,0,0,0,0|1,0,1]=3 1543 B9R0.46 CCCCSCC(=O)CC 62a_100000747405_100000210210 [0,1,0,0,0,0|1,0,1]=3 1544 B9R0.46 CCCCSCC(=O)CF 1458a_100000191162_100015361967 [0,1,0,0,0,0|1,0,1]=3 1545 B9R0.46 CCCCSCC(=O)NC 11a_106832991635_100000191162 [0,1,0,0,0,0|1,0,1]=3 1546 B9R0.46 CCCCSCC(=O)NC 1626a_100102657272_100000191162 [0,1,0,0,0,0|1,0,1]=3 1547 B9R0.46 CCCCSCC(=O)NC 240690a_100102657272_100000191162 [0,1,0,0,0,0|1,0,1]=3 1548 B9R0.46 CCCCSCC(=O)NC 527a_100102657272_100000191162 [0,1,0,0,0,0|1,0,1]=3 1549 B9R0.46 CCCCSCC(=O)NC 62a_100000183359_100000210210 [0,1,0,0,0,0|1,0,1]=3 1550 B9R0.46 CCCCSCC(=O)NC 62a_100000210211_100000183359 [0,1,0,0,0,0|1,0,1]=3 1551 B9R0.46 CCCCSCC(=O)OC 62a_100000210211_100000747449 [0,1,0,0,0,0|1,0,1]=3 1552 B9R0.46 CCCCSCC(=O)OC 62a_100000747449_100000210210 [0,1,0,0,0,0|1,0,1]=3 1553 B9R0.46 CCCNCCC(=O)NC 2230a_100000738227_100000210303 [0,1,0,0,0,0|1,0,2]=4 1554 B9R0.46 CCCNCCC(=O)NC 34a_100000738227_100000210303 [0,1,0,0,0,0|1,0,2]=4 1555 B9R0.46 CCCNN=C/C(=C\N)/C 4a_100000740057_100050415766 [0,1,0,0,0,0|3,0,0]=4 1556 B9R0.46 CCCNN=CC(=O)OC 4a_100000740057_200011823558 [0,1,0,0,0,0|2,0,0]=3 1557 B9R0.46 CCCOCCC(=O)CC 1458a_100000210414_100011215938 [0,1,0,0,0,0|1,0,2]=4 1558 B9R0.46 CCCOCCC(=O)CO 1458a_100000210174_100011215938 [0,1,0,0,0,0|1,0,2]=4 1559 B9R0.46 CCCOCCC(=O)NC 34a_100000210258_100012179268 [0,1,0,0,0,0|1,0,2]=4 1560 B9R0.46 CCCOCCC(=O)NC 34a_100000754576_100000210303 [0,1,0,0,0,0|1,0,2]=4 1561 B9R0.46 CCCOCCC(=O)OC 34a_100000210258_100000742370 [0,1,0,0,0,0|1,0,2]=4 1562 B9R0.46 CCCSCCC(=O)NC 62a_100000210303_100000737683 [0,1,0,0,0,0|1,0,2]=4 1563 B9R0.46 CCCSCCC(=O)NC 62a_100000737683_100000210303 [0,1,0,0,0,0|1,0,2]=4 1564 B9R0.46 CCCSCCC(=O)OC 62a_100000204255_100000210303 [0,1,0,0,0,0|1,0,2]=4 1565 B9R0.46 CCCSCCC(=O)OC 62a_100000210303_100000204255 [0,1,0,0,0,0|1,0,2]=4 1566 B9R0.46 CCCSCOC(=O)OC 62a_100000210303_100000139417 [0,1,0,0,0,0|2,0,1]=4 1567 B9R0.46 CCNC/C=C/C(=O)OC 2230a_100015525214_100000742655 [0,1,0,0,0,0|1,0,0]=2 1568 B9R0.46 CCNCCCC(=O)NC 2230a_100000740002_100000210202 [0,1,0,0,0,0|1,0,2]=4 1569 B9R0.46 CCNCCCC(=O)NC 2230a_100015525214_100000741757 [0,1,0,0,0,0|1,0,2]=4 1570 B9R0.46 CCNCCCC(=O)NC 34a_100000740002_100000210202 [0,1,0,0,0,0|1,0,2]=4 1571 B9R0.46 CCNCCCC(=O)OC 2230a_100015525214_100011218270 [0,1,0,0,0,0|1,0,2]=4 1572 B9R0.46 CCNCCNC(=O)CC 34a_100132302217_100000210202 [0,1,0,0,0,0|2,0,1]=4 1573 B9R0.46 CCNCCNC(=O)NC 34a_100015205895_100000210202 [0,1,0,0,0,0|2,0,1]=4 1574 B9R0.46 CCNN=CCC(=O)OC 4a_100000756455_200011552997 [0,1,0,0,0,0|2,0,1]=4 1575 B9R0.46 CCOC/C=C/C(=O)OC 34a_100121572206_100000742655 [0,1,0,0,0,0|1,0,0]=2 1576 B9R0.46 CCOCCCC(=O)CC 1458a_100000210414_100012232248 [0,1,0,0,0,0|1,0,2]=4 1577 B9R0.46 CCOCCCC(=O)CO 1458a_100000210174_100012232248 [0,1,0,0,0,0|1,0,2]=4 1578 B9R0.46 CCOCCCC(=O)NC 34a_100121572206_100000741757 [0,1,0,0,0,0|1,0,2]=4 1579 B9R0.46 CCOCCCC(=O)OC 34a_100121572206_100000742333 [0,1,0,0,0,0|1,0,2]=4 1580 B9R0.46 CCOCCNC(=O)CC 11a_100011200944_100000210414 [0,1,0,0,0,0|2,0,1]=4 1581 B9R0.46 CCOCCNC(=O)CC 1626a_102516460346_100000210414 [0,1,0,0,0,0|2,0,1]=4 1582 B9R0.46 CCOCCNC(=O)CC 240690a_100011200944_100000210414 [0,1,0,0,0,0|2,0,1]=4 1583 B9R0.46 CCOCCNC(=O)CC 34a_200000158885_100000210202 [0,1,0,0,0,0|2,0,1]=4 1584 B9R0.46 CCOCCNC(=O)CC 527a_100011200944_100000210414 [0,1,0,0,0,0|2,0,1]=4 1585 B9R0.46 CCOCCNC(=O)CC 7a_200000158885_100000210202 [0,1,0,0,0,0|2,0,1]=4 1586 B9R0.46 CCOCCNC(=O)CO 240690a_100011200944_100000210174 [0,1,0,0,0,0|2,0,1]=4 1587 B9R0.46 CCOCCNC(=O)CO 527a_100011200944_100000210174 [0,1,0,0,0,0|2,0,1]=4 1588 B9R0.46 CCOCCNC(=O)NC 2708a_100011200944_106832991635 [0,1,0,0,0,0|2,0,1]=4 1589 B9R0.46 CCOCCNC(=O)NC 2708a_100102657272_100011200944 [0,1,0,0,0,0|2,0,1]=4 1590 B9R0.46 CCOCCNC(=O)NC 273464a_100102657272_102516460346 [0,1,0,0,0,0|2,0,1]=4 1591 B9R0.46 CCOCCNC(=O)NC 273464a_102516460346_100102657272 [0,1,0,0,0,0|2,0,1]=4 1592 B9R0.46 CCOCCNC(=O)NC 512a_100011200944_100102657272 [0,1,0,0,0,0|2,0,1]=4 1593 B9R0.46 CCOCCNC(=O)NC 512a_106832991638_100011200944 [0,1,0,0,0,0|2,0,1]=4 1594 B9R0.46 CCOCCNC(=O)OC 34a_100000757965_100000210202 [0,1,0,0,0,0|2,0,1]=4 1595 B9R0.46 CCOCCOC(=O)CC 7a_200000031056_100000210202 [0,1,0,0,0,0|2,0,1]=4 1596 B9R0.46 CCOCCOC(=O)NC 34a_100121572206_200011997002 [0,1,0,0,0,0|2,0,1]=4 1597 B9R0.46 CCOCCOC(=O)OC 34a_100010262106_100000210202 [0,1,0,0,0,0|2,0,1]=4 1598 B9R0.46 CCOCSCC(=O)CC 62a_100000739092_100000747405 [0,1,0,0,0,0|2,0,1]=4 1599 B9R0.46 CCOCSCC(=O)CC 62a_100000747405_100000739092 [0,1,0,0,0,0|2,0,1]=4 1600 B9R0.46 CCOCSCC(=O)NC 62a_100000183359_100000739092 [0,1,0,0,0,0|2,0,1]=4 1601 B9R0.46 CCOCSCC(=O)NC 62a_100000739092_100000183359 [0,1,0,0,0,0|2,0,1]=4 1602 B9R0.46 CCOCSCC(=O)OC 62a_100000739092_100000747449 [0,1,0,0,0,0|2,0,1]=4 1603 B9R0.46 CCOCSCC(=O)OC 62a_100000747449_100000739092 [0,1,0,0,0,0|2,0,1]=4 1604 B9R0.46 CCSC/C=C/C(=O)OC 62a_100000210202_100000742655 [0,1,0,0,0,0|1,0,0]=2 1605 B9R0.46 CCSC/C=C/C(=O)OC 62a_100000742655_100000210202 [0,1,0,0,0,0|1,0,0]=2 1606 B9R0.46 CCSCCCC(=O)NC 62a_100000210202_100000741757 [0,1,0,0,0,0|1,0,2]=4 1607 B9R0.46 CCSCCCC(=O)NC 62a_100000741757_100000210202 [0,1,0,0,0,0|1,0,2]=4 1608 B9R0.46 CCSCCCC(=O)OC 62a_100000210202_100011218270 [0,1,0,0,0,0|1,0,2]=4 1609 B9R0.46 CCSCCCC(=O)OC 62a_100011218270_100000210202 [0,1,0,0,0,0|1,0,2]=4 1610 B9R0.46 CCSCCNC(=O)CC 11a_100000106463_100000210414 [0,1,0,0,0,0|2,0,1]=4 1611 B9R0.46 CCSCCNC(=O)CC 1626a_100000106463_100000210414 [0,1,0,0,0,0|2,0,1]=4 1612 B9R0.46 CCSCCNC(=O)CC 240690a_100000106463_100000210414 [0,1,0,0,0,0|2,0,1]=4 1613 B9R0.46 CCSCCNC(=O)CC 527a_100000106463_100000210414 [0,1,0,0,0,0|2,0,1]=4 1614 B9R0.46 CCSCCNC(=O)CO 240690a_100000106463_100000210174 [0,1,0,0,0,0|2,0,1]=4 1615 B9R0.46 CCSCCNC(=O)CO 527a_100000106463_100000210174 [0,1,0,0,0,0|2,0,1]=4 1616 B9R0.46 CCSCCNC(=O)NC 2708a_100000106463_106832991635 [0,1,0,0,0,0|2,0,1]=4 1617 B9R0.46 CCSCCNC(=O)NC 2708a_100102657272_100000106463 [0,1,0,0,0,0|2,0,1]=4 1618 B9R0.46 CCSCCNC(=O)NC 273464a_100000106463_100102657272 [0,1,0,0,0,0|2,0,1]=4 1619 B9R0.46 CCSCCNC(=O)NC 273464a_100102657272_100000106463 [0,1,0,0,0,0|2,0,1]=4 1620 B9R0.46 CCSCCNC(=O)NC 512a_100000106463_100102657272 [0,1,0,0,0,0|2,0,1]=4 1621 B9R0.46 CCSCCNC(=O)NC 512a_106832991638_100000106463 [0,1,0,0,0,0|2,0,1]=4 1622 B9R0.46 CCSCCOC(=O)NC 62a_100000210202_200011997002 [0,1,0,0,0,0|2,0,1]=4 1623 B9R0.46 CCSCCOC(=O)NC 62a_200011997002_100000210202 [0,1,0,0,0,0|2,0,1]=4 1624 B9R0.46 CNC(=O)CCCCCO 240690a_100102657272_100102619762 [0,1,0,0,0,0|1,0,2]=4 1625 B9R0.46 CNC(=O)CNCCCF 2230a_100000693194_100011934791 [0,1,0,0,0,0|2,0,1]=4 1626 B9R0.46 CNC(=O)CNCCCF 2230a_100015189416_100000183359 [0,1,0,0,0,0|2,0,1]=4 1627 B9R0.46 CNC(=O)CNCCCF 34a_100015189416_100000183359 [0,1,0,0,0,0|2,0,1]=4 1628 B9R0.46 CNC(=O)CNCCCO 2230a_100000693194_100000230001 [0,1,0,0,0,0|2,0,1]=4 1629 B9R0.46 CNC(=O)CNCCOC 2230a_100000209980_100000183359 [0,1,0,0,0,0|2,0,1]=4 1630 B9R0.46 CNC(=O)CNCCOC 2230a_100000693194_100011201679 [0,1,0,0,0,0|2,0,1]=4 1631 B9R0.46 CNC(=O)CNCCSC 2230a_100000693194_100000751147 [0,1,0,0,0,0|2,0,1]=4 1632 B9R0.46 CNC(=O)CNCCSC 2230a_100020590264_100000183359 [0,1,0,0,0,0|2,0,1]=4 1633 B9R0.46 CNC(=O)COCCCBr 34a_100011217188_100000183359 [0,1,0,0,0,0|2,0,1]=4 1634 B9R0.46 CNC(=O)COCCCCl 34a_100000230001_100000183359 [0,1,0,0,0,0|2,0,1]=4 1635 B9R0.46 CNC(=O)COCCCF 34a_100000750040_100011934791 [0,1,0,0,0,0|2,0,1]=4 1636 B9R0.46 CNC(=O)COCCCF 34a_100000759539_100000183359 [0,1,0,0,0,0|2,0,1]=4 1637 B9R0.46 CNC(=O)COCCCN 34a_100000182051_100000183359 [0,1,0,0,0,0|2,0,1]=4 1638 B9R0.46 CNC(=O)COCCCO 34a_100000750040_100000230001 [0,1,0,0,0,0|2,0,1]=4 1639 B9R0.46 CNC(=O)COCCOC 11a_106832991635_100000211095 [0,1,0,0,0,0|2,0,1]=4 1640 B9R0.46 CNC(=O)COCCOC 1626a_100102657272_100000211095 [0,1,0,0,0,0|2,0,1]=4 1641 B9R0.46 CNC(=O)COCCOC 240690a_100102657272_100000211095 [0,1,0,0,0,0|2,0,1]=4 1642 B9R0.46 CNC(=O)COCCOC 34a_100000210237_100000183359 [0,1,0,0,0,0|2,0,1]=4 1643 B9R0.46 CNC(=O)COCCOC 34a_100000750040_100011201679 [0,1,0,0,0,0|2,0,1]=4 1644 B9R0.46 CNC(=O)COCCOC 527a_100102657272_100000211095 [0,1,0,0,0,0|2,0,1]=4 1645 B9R0.46 CNC(=O)COCCSC 34a_100000230434_100000183359 [0,1,0,0,0,0|2,0,1]=4 1646 B9R0.46 CNC(=O)COCCSC 34a_100000750040_100000212216 [0,1,0,0,0,0|2,0,1]=4 1647 B9R0.46 CNC(=O)COCCSC 7a_100000230434_100000183359 [0,1,0,0,0,0|2,0,1]=4 1648 B9R0.46 CNC(=O)CSCCCF 62a_100000183359_100011934791 [0,1,0,0,0,0|2,0,1]=4 1649 B9R0.46 CNC(=O)CSCCCF 62a_100011934791_100000183359 [0,1,0,0,0,0|2,0,1]=4 1650 B9R0.46 CNC(=O)CSCCCO 62a_100000183359_100011215043 [0,1,0,0,0,0|2,0,1]=4 1651 B9R0.46 CNC(=O)CSCCCO 62a_100011215043_100000183359 [0,1,0,0,0,0|2,0,1]=4 1652 B9R0.46 CNC(=O)CSCCOC 62a_100000183359_100000233755 [0,1,0,0,0,0|2,0,1]=4 1653 B9R0.46 CNC(=O)CSCCOC 62a_100000233755_100000183359 [0,1,0,0,0,0|2,0,1]=4 1654 B9R0.46 CNC(=O)CSCCSC 62a_100000183359_100000751147 [0,1,0,0,0,0|2,0,1]=4 1655 B9R0.46 CNC(=O)CSCCSC 62a_100000212216_100000183359 [0,1,0,0,0,0|2,0,1]=4 1656 B9R0.46 CNC(=O)NCCCCO 2708a_100000750430_106832991635 [0,1,0,0,0,0|2,0,1]=4 1657 B9R0.46 CNC(=O)NCCCCO 2708a_100102657272_100000750430 [0,1,0,0,0,0|2,0,1]=4 1658 B9R0.46 CNC(=O)NCCCCO 273464a_100000750430_100102657272 [0,1,0,0,0,0|2,0,1]=4 1659 B9R0.46 CNC(=O)NCCCCO 273464a_100102657272_100000750430 [0,1,0,0,0,0|2,0,1]=4 1660 B9R0.46 CNC(=O)NCCCCO 512a_100000750430_100102657272 [0,1,0,0,0,0|2,0,1]=4 1661 B9R0.46 CNC(=O)NCCCCO 512a_106832991638_100000750430 [0,1,0,0,0,0|2,0,1]=4 1662 B9R0.46 CNC(=O)NCCCOC 2708a_100102657272_100150723488 [0,1,0,0,0,0|2,0,1]=4 1663 B9R0.46 CNC(=O)NCCCOC 2708a_100150723488_106832991635 [0,1,0,0,0,0|2,0,1]=4 1664 B9R0.46 CNC(=O)NCCCOC 273464a_100102657272_100150723488 [0,1,0,0,0,0|2,0,1]=4 1665 B9R0.46 CNC(=O)NCCCOC 273464a_100150723488_100102657272 [0,1,0,0,0,0|2,0,1]=4 1666 B9R0.46 CNC(=O)NCCCOC 512a_106832991638_100150723488 [0,1,0,0,0,0|2,0,1]=4 1667 B9R0.46 CNC(=O)NCCCSC 2708a_100000749238_106832991635 [0,1,0,0,0,0|2,0,1]=4 1668 B9R0.46 CNC(=O)NCCCSC 2708a_100102657272_100000749238 [0,1,0,0,0,0|2,0,1]=4 1669 B9R0.46 CNC(=O)NCCCSC 273464a_100000749238_100102657272 [0,1,0,0,0,0|2,0,1]=4 1670 B9R0.46 CNC(=O)NCCCSC 273464a_100102657272_100000749238 [0,1,0,0,0,0|2,0,1]=4 1671 B9R0.46 CNC(=O)NCCCSC 512a_100000749238_100102657272 [0,1,0,0,0,0|2,0,1]=4 1672 B9R0.46 CNC(=O)NCCCSC 512a_106832991638_100000749238 [0,1,0,0,0,0|2,0,1]=4 1673 B9R0.46 CNC(=O)NNCCOC 273464a_100102657272_100000741390 [0,1,0,0,0,0|3,0,0]=4 1674 B9R0.46 CNCCCCC(=O)OC 2230a_106832991635_100000204269 [0,1,0,0,0,0|1,0,2]=4 1675 B9R0.46 CNCCCCC(=O)OC 34a_100102657272_100000204269 [0,1,0,0,0,0|1,0,2]=4 1676 B9R0.46 CNCCCCC(=O)OC 7a_106832991635_100000204269 [0,1,0,0,0,0|1,0,2]=4 1677 B9R0.46 CNCCOCC(=O)OC 2230a_106832991635_100000090808 [0,1,0,0,0,0|2,0,1]=4 1678 B9R0.46 CNCCOCC(=O)OC 34a_100102657272_100000090808 [0,1,0,0,0,0|2,0,1]=4 1679 B9R0.46 CNCCOCC(=O)OC 7a_106832991635_100000090808 [0,1,0,0,0,0|2,0,1]=4 1680 B9R0.46 COC(=O)/C=C/CSCF 62a_100000742655_100015361967 [0,1,0,0,0,0|2,0,0]=3 1681 B9R0.46 COC(=O)/C=C/CSCF 62a_100015361967_100000742655 [0,1,0,0,0,0|2,0,0]=3 1682 B9R0.46 COC(=O)C=NNCCO 4a_100000210001_200011823558 [0,1,0,0,0,0|3,0,0]=4 1683 B9R0.46 COC(=O)CCCCO[13CH3] 34a_100000059025_200025704644 [0,1,0,0,0,0|1,0,2]=4 1684 B9R0.46 COC(=O)CCCCO[13CH3] 7a_100000059025_200025704644 [0,1,0,0,0,0|1,0,2]=4 1685 B9R0.46 COC(=O)CCCCSC 62a_100000204269_200000210301 [0,1,0,0,0,0|1,0,2]=4 1686 B9R0.46 COC(=O)CCCCSC 62a_200000210301_100000204269 [0,1,0,0,0,0|1,0,2]=4 1687 B9R0.46 COC(=O)CCCCS[13CH3] 62a_100000204269_200025704644 [0,1,0,0,0,0|1,0,2]=4 1688 B9R0.46 COC(=O)CCCCS[13CH3] 62a_200025704644_100000204269 [0,1,0,0,0,0|1,0,2]=4 1689 B9R0.46 COC(=O)CNCCCF 2230a_100015189416_100000747449 [0,1,0,0,0,0|2,0,1]=4 1690 B9R0.46 COC(=O)CNCCCF 34a_100015189416_100000747449 [0,1,0,0,0,0|2,0,1]=4 1691 B9R0.46 COC(=O)CNCCSC 2230a_100020590264_100000747449 [0,1,0,0,0,0|2,0,1]=4 1692 B9R0.46 COC(=O)COCCCBr 34a_100011217188_100000747449 [0,1,0,0,0,0|2,0,1]=4 1693 B9R0.46 COC(=O)COCCCCl 34a_100000230001_100000747449 [0,1,0,0,0,0|2,0,1]=4 1694 B9R0.46 COC(=O)COCCCF 34a_100000759539_100000747449 [0,1,0,0,0,0|2,0,1]=4 1695 B9R0.46 COC(=O)COCCCN 34a_100000182051_100000747449 [0,1,0,0,0,0|2,0,1]=4 1696 B9R0.46 COC(=O)COCCSC 34a_100000230434_100000747449 [0,1,0,0,0,0|2,0,1]=4 1697 B9R0.46 COC(=O)COCCSC 62a_100000090808_200000210301 [0,1,0,0,0,0|2,0,1]=4 1698 B9R0.46 COC(=O)COCCSC 62a_200000210301_100000090808 [0,1,0,0,0,0|2,0,1]=4 1699 B9R0.46 COC(=O)COCCSC 7a_100000230434_100000747449 [0,1,0,0,0,0|2,0,1]=4 1700 B9R0.46 COC(=O)COCCS[13CH3] 62a_100000090808_200025704644 [0,1,0,0,0,0|2,0,1]=4 1701 B9R0.46 COC(=O)COCCS[13CH3] 62a_200025704644_100000090808 [0,1,0,0,0,0|2,0,1]=4 1702 B9R0.46 COC(=O)CSCCCF 62a_100000747449_100011934791 [0,1,0,0,0,0|2,0,1]=4 1703 B9R0.46 COC(=O)CSCCCF 62a_100011934791_100000747449 [0,1,0,0,0,0|2,0,1]=4 1704 B9R0.46 COC(=O)CSCCCO 62a_100000747449_100011215043 [0,1,0,0,0,0|2,0,1]=4 1705 B9R0.46 COC(=O)CSCCCO 62a_100011215043_100000747449 [0,1,0,0,0,0|2,0,1]=4 1706 B9R0.46 COC(=O)CSCCSC 62a_100000212216_100000747449 [0,1,0,0,0,0|2,0,1]=4 1707 B9R0.46 COC(=O)CSCCSC 62a_100000747449_100000751147 [0,1,0,0,0,0|2,0,1]=4 1708 B9R0.46 COCCCCC(=O)CO 1458a_100000210174_100000755781 [0,1,0,0,0,0|1,0,2]=4 1709 B9R0.46 COCCCCC(=O)OC 34a_100000059025_200000210301 [0,1,0,0,0,0|1,0,2]=4 1710 B9R0.46 COCCCCC(=O)OC 34a_100138415774_100000204269 [0,1,0,0,0,0|1,0,2]=4 1711 B9R0.46 COCCCCC(=O)OC 7a_100000059025_200000210301 [0,1,0,0,0,0|1,0,2]=4 1712 B9R0.46 COCCCNC(=O)CO 240690a_100150723488_100000210174 [0,1,0,0,0,0|2,0,1]=4 1713 B9R0.46 COCCCNC(=O)CO 527a_100150723488_100000210174 [0,1,0,0,0,0|2,0,1]=4 1714 B9R0.46 COCCNCC(=O)OC 2230a_100000209980_100000747449 [0,1,0,0,0,0|2,0,1]=4 1715 B9R0.46 COCCNNC(=O)CO 22a_100000741390_100000210174 [0,1,0,0,0,0|3,0,0]=4 1716 B9R0.46 COCCOCC(=O)CF 1458a_100000211095_100015361967 [0,1,0,0,0,0|2,0,1]=4 1717 B9R0.46 COCCOCC(=O)OC 34a_100000210237_100000747449 [0,1,0,0,0,0|2,0,1]=4 1718 B9R0.46 COCCOCC(=O)OC 34a_100138415774_100000090808 [0,1,0,0,0,0|2,0,1]=4 1719 B9R0.46 COCCSCC(=O)OC 62a_100000233755_100000747449 [0,1,0,0,0,0|2,0,1]=4 1720 B9R0.46 COCCSCC(=O)OC 62a_100000747449_100000233755 [0,1,0,0,0,0|2,0,1]=4 1721 B9R0.46 CSCCCNC(=O)CO 240690a_100000749238_100000210174 [0,1,0,0,0,0|2,0,1]=4 1722 B9R0.46 CSCCCNC(=O)CO 527a_100000749238_100000210174 [0,1,0,0,0,0|2,0,1]=4 1723 B9R0.46 O=C(CF)CCCCCO 1458a_100102619762_100015361967 [0,1,0,0,0,0|1,0,2]=4 1724 B9R0.46 O=C(CO)CCCCCF 1458a_100000210174_100000729378 [0,1,0,0,0,0|1,0,2]=4 1725 B9R0.46 O=C(CO)CCCCCO 1458a_100000210174_100000746330 [0,1,0,0,0,0|1,0,2]=4 1726 B9R0.46 O=C(CO)NCCCCO 240690a_100000750430_100000210174 [0,1,0,0,0,0|2,0,1]=4 1727 B9R0.46 O=C(CO)NCCCCO 527a_100000750430_100000210174 [0,1,0,0,0,0|2,0,1]=4 1728 B9R0.47 C=C(Br)C(=O)NCCCC 11a_100000102301_100009813364 [0,1,0,0,0,0|2,0,1]=4 1729 B9R0.47 C=C(Br)C(=O)NCCCC 1626a_100000102301_100009813364 [0,1,0,0,0,0|2,0,1]=4 1730 B9R0.47 C=C(C)C(=NNCCC)C 4a_100000740057_100011216138 [0,1,0,0,0,0|3,0,0]=4 1731 B9R0.47 C=C(C)C(=O)CCCCC 1458a_100000185857_100000210326 [0,1,0,0,0,0|1,0,1]=3 1732 B9R0.47 C=C(C)C(=O)CCCCF 1458a_100000185857_100000729493 [0,1,0,0,0,0|2,0,1]=4 1733 B9R0.47 C=C(C)C(=O)CCCCO 1458a_100000185857_100000210776 [0,1,0,0,0,0|2,0,1]=4 1734 B9R0.47 C=C(C)C(=O)CCCOC 1458a_100000185857_100000740836 [0,1,0,0,0,0|2,0,1]=4 1735 B9R0.47 C=C(C)C(=O)CCOCC 1458a_100000185857_100011215890 [0,1,0,0,0,0|2,0,1]=4 1736 B9R0.47 C=C(C)C(=O)CCSCC 1458a_100000185857_100000757381 [0,1,0,0,0,0|2,0,1]=4 1737 B9R0.47 C=C(C)C(=O)NCCCC 11a_100000102301_100000185857 [0,1,0,0,0,0|2,0,0]=3 1738 B9R0.47 C=C(C)C(=O)NCCCC 1626a_100000102301_100000185857 [0,1,0,0,0,0|2,0,0]=3 1739 B9R0.47 C=C(C)C(=O)NCCCF 11a_100015189416_100000185857 [0,1,0,0,0,0|3,0,0]=4 1740 B9R0.47 C=C(C)C(=O)NCCCF 1626a_100015189416_100000185857 [0,1,0,0,0,0|3,0,0]=4 1741 B9R0.47 C=C(C)C(=O)NCCNC 2230a_100102636416_200000210301 [0,1,0,0,0,0|3,0,0]=4 1742 B9R0.47 C=C(C)C(=O)NCCN[13CH3] 2230a_100102636416_200025704644 [0,1,0,0,0,0|3,0,0]=4 1743 B9R0.47 C=C(C)C(=O)NCCOC 1626a_100000209980_100000185857 [0,1,0,0,0,0|3,0,0]=4 1744 B9R0.47 C=C(C)C(=O)NCCSC 11a_100020590264_100000185857 [0,1,0,0,0,0|3,0,0]=4 1745 B9R0.47 C=C(C)C(=O)NCCSC 1626a_100020590264_100000185857 [0,1,0,0,0,0|3,0,0]=4 1746 B9R0.47 C=C(C)C(=O)NNCCC 22a_100000740057_100000185857 [0,1,0,0,0,0|3,0,0]=4 1747 B9R0.47 C=C(C)C(=O)OCCNC 2230a_106832991635_100009816335 [0,1,0,0,0,0|3,0,0]=4 1748 B9R0.47 C=C(C)C(=O)OCCNC 34a_100102657272_100009816335 [0,1,0,0,0,0|3,0,0]=4 1749 B9R0.47 C=C(C)C(=O)OCCNC 7a_106832991635_100009816335 [0,1,0,0,0,0|3,0,0]=4 1750 B9R0.47 C=C(C)C(=O)OCCOC 34a_100138415774_100009816335 [0,1,0,0,0,0|3,0,0]=4 1751 B9R0.47 C=C(C)C(=O)OCCSC 62a_100009816335_200000210301 [0,1,0,0,0,0|3,0,0]=4 1752 B9R0.47 C=C(C)C(=O)OCCSC 62a_200000210301_100009816335 [0,1,0,0,0,0|3,0,0]=4 1753 B9R0.47 C=C(C)C(=O)OCCS[13CH3] 62a_100009816335_200025704644 [0,1,0,0,0,0|3,0,0]=4 1754 B9R0.47 C=C(C)C(=O)OCCS[13CH3] 62a_200025704644_100009816335 [0,1,0,0,0,0|3,0,0]=4 1755 B9R0.47 C=C(C)C(C)NCCCC 269862a_100000102301_100011216138 [0,1,0,0,0,0|2,0,1]=4 1756 B9R0.47 C=C(Cl)C(=O)NCCCC 11a_100000102301_100000039160 [0,1,0,0,0,0|2,0,1]=4 1757 B9R0.47 C=C(Cl)C(=O)NCCCC 1626a_100000102301_100000039160 [0,1,0,0,0,0|2,0,1]=4 1758 B9R0.47 C=C(F)C(=O)NCCCC 11a_100000102301_100000036797 [0,1,0,0,0,0|2,0,1]=4 1759 B9R0.47 C=C(F)C(=O)NCCCC 1626a_100000102301_100000036797 [0,1,0,0,0,0|2,0,1]=4 1760 B9R0.47 CC(=O)C(=O)CNCCF 34a_100000724931_100011261029 [0,1,0,0,0,0|2,0,1]=4 1761 B9R0.47 CC(=O)C(=O)CNCCO 34a_100016990907_100011261029 [0,1,0,0,0,0|2,0,1]=4 1762 B9R0.47 CC(=O)C(=O)COCCBr 34a_100000211926_100011261029 [0,1,0,0,0,0|2,0,1]=4 1763 B9R0.47 CC(=O)C(=O)COCCN 34a_100000210304_100011261029 [0,1,0,0,0,0|2,0,1]=4 1764 B9R0.47 CC(=O)C(=O)CSCCF 62a_100011217306_100011261029 [0,1,0,0,0,0|2,0,1]=4 1765 B9R0.47 CC(=O)C(=O)CSCCF 62a_100011261029_100011217306 [0,1,0,0,0,0|2,0,1]=4 1766 B9R0.47 CC(=O)C(=O)CSCCO 62a_100000211926_100011261029 [0,1,0,0,0,0|2,0,1]=4 1767 B9R0.47 CC(=O)C(=O)CSCCO 62a_100011261029_100000211926 [0,1,0,0,0,0|2,0,1]=4 1768 B9R0.47 CC(=O)C(C)NCCCF 2230a_100015189416_100009814033 [0,1,0,0,0,0|2,0,1]=4 1769 B9R0.47 CC(=O)C(C)OCCCF 34a_100000212229_100011934791 [0,1,0,0,0,0|2,0,1]=4 1770 B9R0.47 CC(=O)C(C)OCCCO 34a_100000212229_100000230001 [0,1,0,0,0,0|2,0,1]=4 1771 B9R0.47 CC(=O)C(C)SCCCF 62a_100009814033_100011934791 [0,1,0,0,0,0|2,0,1]=4 1772 B9R0.47 CC(=O)C(C)SCCCF 62a_100011934791_100009814033 [0,1,0,0,0,0|2,0,1]=4 1773 B9R0.47 CC(=O)C(C)SCCCO 62a_100009814033_100011215043 [0,1,0,0,0,0|2,0,1]=4 1774 B9R0.47 CC(=O)C(C)SCCCO 62a_100011215043_100009814033 [0,1,0,0,0,0|2,0,1]=4 1775 B9R0.47 CC(=O)N(C)CCCCO 240690a_100000717598_100015343762 [0,1,0,0,0,0|2,0,1]=4 1776 B9R0.47 CCCC=CC(=O)C(C)C 1458a_100000212230_100000210206 [0,1,0,0,0,0|1,0,2]=4 1777 B9R0.47 CCCC=CC(=O)N(C)C 11a_100102631434_100000212230 [0,1,0,0,0,0|2,0,1]=4 1778 B9R0.47 CCCC=CC(=O)N(C)C 1626a_100102631434_100000212230 [0,1,0,0,0,0|2,0,1]=4 1779 B9R0.47 CCCC=CC(=O)N(C)C 240690a_100102631434_100000212230 [0,1,0,0,0,0|2,0,1]=4 1780 B9R0.47 CCCCCC(=O)C(C)C 1458a_100000210198_100000210326 [0,1,0,0,0,0|1,0,2]=4 1781 B9R0.47 CCCCCC(=O)C(C)C 1458a_100000212188_100000210206 [0,1,0,0,0,0|1,0,2]=4 1782 B9R0.47 CCCCCC(=O)C(C)F 1458a_100000062450_100000210326 [0,1,0,0,0,0|1,0,2]=4 1783 B9R0.47 CCCCCC(=O)N(C)C 11a_100102631434_100000212188 [0,1,0,0,0,0|2,0,1]=4 1784 B9R0.47 CCCCCC(=O)N(C)C 1626a_100102631434_100000212188 [0,1,0,0,0,0|2,0,1]=4 1785 B9R0.47 CCCCCC(=O)N(C)C 240690a_100102631434_100000212188 [0,1,0,0,0,0|2,0,1]=4 1786 B9R0.47 CCCCCC(=O)N(C)C 527a_100102631434_100000212188 [0,1,0,0,0,0|2,0,1]=4 1787 B9R0.47 CCCCCC(=O)[C@@H](C)O 1458a_100000717761_100000210326 [0,1,0,0,0,0|0,0,3]=4 1788 B9R0.47 CCCCCC(=O)[C@H](C)O 1458a_217856618621_100000210326 [0,1,0,0,0,0|0,0,3]=4 1789 B9R0.47 CCCCCC(C)C(=O)C 1458a_100000070787_200011218191 [0,1,0,0,0,0|0,0,2]=3 1790 B9R0.47 CCCCCC(C)C(=O)C 1458a_100011215998_200000210301 [0,1,0,0,0,0|0,0,2]=3 1791 B9R0.47 CCCCCC(C)C(=O)[13CH3] 1458a_100011215998_200025704644 [0,1,0,0,0,0|0,0,2]=3 1792 B9R0.47 CCCCCN(C)C(=O)C 11a_100000223495_100015343762 [0,1,0,0,0,0|1,0,1]=3 1793 B9R0.47 CCCCCN(C)C(=O)C 1626a_100000223495_100015343762 [0,1,0,0,0,0|1,0,1]=3 1794 B9R0.47 CCCCCN(C)C(=O)C 240690a_100000223495_100015343762 [0,1,0,0,0,0|1,0,1]=3 1795 B9R0.47 CCCCCN(C)C(=O)C 527a_100000223495_100103153847 [0,1,0,0,0,0|1,0,1]=3 1796 B9R0.47 CCCCNC(=O)C(=O)N 240690a_100000102301_100011215815 [0,1,0,0,0,0|2,0,0]=3 1797 B9R0.47 CCCCNC(=O)C(C)C 11a_100000102301_100000210198 [0,1,0,0,0,0|2,0,1]=4 1798 B9R0.47 CCCCNC(=O)C(C)C 1626a_100000102301_100000210198 [0,1,0,0,0,0|2,0,1]=4 1799 B9R0.47 CCCCNC(=O)C(C)C 240690a_100000102301_100000210198 [0,1,0,0,0,0|2,0,1]=4 1800 B9R0.47 CCCCNC(=O)C(C)C 527a_100000102301_100000210198 [0,1,0,0,0,0|2,0,1]=4 1801 B9R0.47 CCCCNC(=O)C(C)F 11a_100000102301_100000062450 [0,1,0,0,0,0|2,0,1]=4 1802 B9R0.47 CCCCNC(=O)C(C)F 1626a_100000102301_100000062450 [0,1,0,0,0,0|2,0,1]=4 1803 B9R0.47 CCCCNC(=O)C(C)F 240690a_100000102301_100000062450 [0,1,0,0,0,0|2,0,1]=4 1804 B9R0.47 CCCCNC(=O)C(C)F 527a_100000102301_100000062450 [0,1,0,0,0,0|2,0,1]=4 1805 B9R0.47 CCCCNC(=O)N(C)C 2708a_100000102301_100102631434 [0,1,0,0,0,0|3,0,0]=4 1806 B9R0.47 CCCCNC(=O)[C@@H](C)O 240690a_100000102301_100000717761 [0,1,0,0,0,0|1,0,2]=4 1807 B9R0.47 CCCCNC(=O)[C@H](C)O 1626a_100000102301_217856618621 [0,1,0,0,0,0|1,0,2]=4 1808 B9R0.47 CCCCNC(=O)[C@H](C)O 240690a_100000102301_217856618621 [0,1,0,0,0,0|1,0,2]=4 1809 B9R0.47 CCCCNC(C)C(=O)C 2230a_100000102301_100009814033 [0,1,0,0,0,0|1,0,1]=3 1810 B9R0.47 CCCCNC(C)C(=O)C 7a_106832991798_100000179758 [0,1,0,0,0,0|1,0,1]=3 1811 B9R0.47 CCCCNC(C)C(=O)N 2230a_100000102301_100000702099 [0,1,0,0,0,0|2,0,1]=4 1812 B9R0.47 CCCCNC(C)C(=O)N 7a_106832991798_100000702099 [0,1,0,0,0,0|2,0,1]=4 1813 B9R0.47 CCCCNC(F)C(=O)N 2230a_100000102301_100009813875 [0,1,0,0,0,0|2,0,1]=4 1814 B9R0.47 CCCCNC(F)C(=O)N 7a_106832991798_100009813875 [0,1,0,0,0,0|2,0,1]=4 1815 B9R0.47 CCCCN[C@@H](C)C(=O)O 269956a_100000743915_100000210211 [0,1,0,0,0,0|2,0,1]=4 1816 B9R0.47 CCCCN[C@H](C)C(=O)N 2230a_100000119354_100000210211 [0,1,0,0,0,0|2,0,1]=4 1817 B9R0.47 CCCCN[C@H](C)C(=O)N 34a_100000119354_100000210210 [0,1,0,0,0,0|2,0,1]=4 1818 B9R0.47 CCCCOC(C)C(=O)C 34a_100000212229_100000210210 [0,1,0,0,0,0|1,0,1]=3 1819 B9R0.47 CCCCOC(C)C(=O)C 7a_100000210227_100000179758 [0,1,0,0,0,0|1,0,1]=3 1820 B9R0.47 CCCCOC(C)C(=O)N 34a_100000210227_100000702099 [0,1,0,0,0,0|2,0,1]=4 1821 B9R0.47 CCCCOC(C)C(=O)N 7a_100000210227_100000702099 [0,1,0,0,0,0|2,0,1]=4 1822 B9R0.47 CCCCOC(F)C(=O)N 34a_100000210227_100009813875 [0,1,0,0,0,0|2,0,1]=4 1823 B9R0.47 CCCCOC(F)C(=O)N 7a_100000210227_100009813875 [0,1,0,0,0,0|2,0,1]=4 1824 B9R0.47 CCCCOC(F)C(=O)[O-] 34a_100000210227_100020610796 [0,1,0,0,0,0|2,0,1]=4 1825 B9R0.47 CCCCO[C@@H](C)C(=O)[O-] 7a_217856618621_100000210211 [0,1,0,0,0,0|2,0,1]=4 1826 B9R0.47 CCCCO[C@H](C)C(=O)N 34a_100000731257_100000210210 [0,1,0,0,0,0|2,0,1]=4 1827 B9R0.47 CCCCO[C@H](C)C(=O)N 7a_100000731257_100000210211 [0,1,0,0,0,0|2,0,1]=4 1828 B9R0.47 CCCCSC(C)C(=O)C 1458a_100000191163_200000210301 [0,1,0,0,0,0|1,0,1]=3 1829 B9R0.47 CCCCSC(C)C(=O)C 62a_100000210211_100009814033 [0,1,0,0,0,0|1,0,1]=3 1830 B9R0.47 CCCCSC(C)C(=O)C 62a_100009814033_100000210210 [0,1,0,0,0,0|1,0,1]=3 1831 B9R0.47 CCCCSC(C)C(=O)N 62a_100000210211_100000702099 [0,1,0,0,0,0|2,0,1]=4 1832 B9R0.47 CCCCSC(C)C(=O)N 62a_100000702099_100000210210 [0,1,0,0,0,0|2,0,1]=4 1833 B9R0.47 CCCCSC(C)C(=O)[13CH3] 1458a_100000191163_200025704644 [0,1,0,0,0,0|1,0,1]=3 1834 B9R0.47 CCCCSC(F)C(=O)N 62a_100000210211_100009813875 [0,1,0,0,0,0|2,0,1]=4 1835 B9R0.47 CCCCSC(F)C(=O)N 62a_100009813875_100000210210 [0,1,0,0,0,0|2,0,1]=4 1836 B9R0.47 CCCCSC(F)C(=O)[O-] 62a_100000210211_100020610796 [0,1,0,0,0,0|2,0,1]=4 1837 B9R0.47 CCCCSC(F)C(=O)[O-] 62a_100020610796_100000210210 [0,1,0,0,0,0|2,0,1]=4 1838 B9R0.47 CCCNNC(=O)C(=O)N 22a_100000740057_100011215815 [0,1,0,0,0,0|3,0,0]=4 1839 B9R0.47 CCCOCC(=O)C(=O)C 34a_100000210258_100011261029 [0,1,0,0,0,0|1,0,1]=3 1840 B9R0.47 CCCOCC(C)C(=O)C 34a_100000032740_100000210303 [0,1,0,0,0,0|1,0,2]=4 1841 B9R0.47 CCCOCC(C)C(=O)C 7a_100000032740_100000210303 [0,1,0,0,0,0|1,0,2]=4 1842 B9R0.47 CCCSCC(=O)C(=O)C 62a_100000210303_100011261029 [0,1,0,0,0,0|1,0,1]=3 1843 B9R0.47 CCCSCC(=O)C(=O)C 62a_100011261029_100000210303 [0,1,0,0,0,0|1,0,1]=3 1844 B9R0.47 CCOCSC(C)C(=O)C 62a_100000739092_100009814033 [0,1,0,0,0,0|2,0,1]=4 1845 B9R0.47 CCOCSC(C)C(=O)C 62a_100009814033_100000739092 [0,1,0,0,0,0|2,0,1]=4 1846 B9R0.47 COCCCN(C)C(=O)C 11a_100000224831_100015343762 [0,1,0,0,0,0|2,0,1]=4 1847 B9R0.47 COCCCN(C)C(=O)C 1626a_100000224831_100015343762 [0,1,0,0,0,0|2,0,1]=4 1848 B9R0.47 COCCCN(C)C(=O)C 240690a_100000224831_100015343762 [0,1,0,0,0,0|2,0,1]=4 1849 B9R0.47 COCCCN(C)C(=O)C 527a_100000224831_100103153847 [0,1,0,0,0,0|2,0,1]=4 1850 B9R0.47 COCCNC(=O)C(=O)N 240690a_100000209980_100011215815 [0,1,0,0,0,0|3,0,0]=4 1851 B9R0.47 COCCNC(C)C(=O)C 2230a_100000209980_100009814033 [0,1,0,0,0,0|2,0,1]=4 1852 B9R0.47 COCCOC(C)C(=O)C 34a_100000212229_100011201679 [0,1,0,0,0,0|2,0,1]=4 1853 B9R0.47 COCCSC(C)C(=O)C 62a_100000233755_100009814033 [0,1,0,0,0,0|2,0,1]=4 1854 B9R0.47 COCCSC(C)C(=O)C 62a_100009814033_100000233755 [0,1,0,0,0,0|2,0,1]=4 1855 B9R0.47 COCSCC(=O)C(=O)C 62a_100000766300_100011261029 [0,1,0,0,0,0|2,0,1]=4 1856 B9R0.47 COCSCC(=O)C(=O)C 62a_100011261029_100000766300 [0,1,0,0,0,0|2,0,1]=4 1857 B9R0.47 CSCCNC(=O)C(=O)N 240690a_100020590264_100011215815 [0,1,0,0,0,0|3,0,0]=4 1858 B9R0.47 CSCCNC(C)C(=O)C 2230a_100020590264_100009814033 [0,1,0,0,0,0|2,0,1]=4 1859 B9R0.47 CSCCOC(C)C(=O)C 34a_100000212229_100000212216 [0,1,0,0,0,0|2,0,1]=4 1860 B9R0.47 CSCCOC(C)C(=O)C 7a_100000230434_100000179758 [0,1,0,0,0,0|2,0,1]=4 1861 B9R0.47 CSCCSC(C)C(=O)C 62a_100000212216_100009814033 [0,1,0,0,0,0|2,0,1]=4 1862 B9R0.47 CSCCSC(C)C(=O)C 62a_100009814033_100000751147 [0,1,0,0,0,0|2,0,1]=4 1863 B9R0.47 CSCSCC(=O)C(=O)C 62a_100011218213_100011261029 [0,1,0,0,0,0|2,0,1]=4 1864 B9R0.47 CSCSCC(=O)C(=O)C 62a_100011261029_100011218213 [0,1,0,0,0,0|2,0,1]=4 1865 B9R0.47 NC(=O)C(=O)NCCCF 240690a_100015189416_100011215815 [0,1,0,0,0,0|3,0,0]=4 1866 B9R0.47 NC(=O)C(=O)NCCCO 240690a_100000182051_100011215815 [0,1,0,0,0,0|3,0,0]=4 1867 B9R0.48 C=C(C)CNC(C)CCC 2230a_100000741246_100000748629 [0,1,0,0,0,0|2,0,1]=4 1868 B9R0.48 C=C(C)COC(C)CCC 34a_100000210245_100000766640 [0,1,0,0,0,0|2,0,1]=4 1869 B9R0.48 C=C(C)COC(C)CCC 34a_100000764384_100000748629 [0,1,0,0,0,0|2,0,1]=4 1870 B9R0.48 C=C(C)COC(C)CCC 7a_100000764384_100000748629 [0,1,0,0,0,0|2,0,1]=4 1871 B9R0.48 C=C(C)CSC(C)CCC 62a_100000748629_100000766640 [0,1,0,0,0,0|2,0,1]=4 1872 B9R0.48 C=C(C)CSC(C)CCC 62a_100000766640_100000211660 [0,1,0,0,0,0|2,0,1]=4 1873 B9R0.48 CC(=O)COC(C)CCO 34a_100000211253_100009893172 [0,1,0,0,0,0|2,0,1]=4 1874 B9R0.48 CC(=O)OCC(O)CS[13CH3] 62a_200000139349_200025704644 [0,1,0,0,0,0|2,0,1]=4 1875 B9R0.48 CC(=O)OCC(O)CS[13CH3] 62a_200025704644_200000139349 [0,1,0,0,0,0|2,0,1]=4 1876 B9R0.48 CC(=O)SCC(C)CS[13CH3] 62a_200000116872_200025704644 [0,1,0,0,0,0|2,0,1]=4 1877 B9R0.48 CC(=O)SCC(C)CS[13CH3] 62a_200025704644_200000116872 [0,1,0,0,0,0|2,0,1]=4 1878 B9R0.48 CCCC(=NNC(=O)C)C 4a_100000189765_100000211909 [0,1,0,0,0,0|2,0,1]=4 1879 B9R0.48 CCCC(=O)C=CC(C)C 1458a_100016268746_100000210303 [0,1,0,0,0,0|1,0,2]=4 1880 B9R0.48 CCCC(=O)CC=C(C)C 1458a_100000211992_100000761012 [0,1,0,0,0,0|1,0,2]=4 1881 B9R0.48 CCCC(=O)CC=C(C)C 1458a_100011220947_100000210303 [0,1,0,0,0,0|1,0,2]=4 1882 B9R0.48 CCCC(=O)CNC(=O)C 1458a_100000194580_100000210303 [0,1,0,0,0,0|1,0,2]=4 1883 B9R0.48 CCCC(=O)COC(=O)C 1458a_100000183556_100000210303 [0,1,0,0,0,0|1,0,2]=4 1884 B9R0.48 CCCC(=O)CSC(=O)C 1458a_100000049016_100000210303 [0,1,0,0,0,0|1,0,2]=4 1885 B9R0.48 CCCC(=O)NNC(=O)C 22a_100000189765_100000211992 [0,1,0,0,0,0|2,0,1]=4 1886 B9R0.48 CCCC(=O)NNC(=O)C 22a_100000189770_100000070787 [0,1,0,0,0,0|2,0,1]=4 1887 B9R0.48 CCCC(=O)OCC(=O)C 1458a_100000070787_100000034017 [0,1,0,0,0,0|1,0,2]=4 1888 B9R0.48 CCCC(C)NCC(=O)N 2230a_100000711301_100000766640 [0,1,0,0,0,0|2,0,1]=4 1889 B9R0.48 CCCC(C)NCC(=O)N 2230a_100000741246_100000747473 [0,1,0,0,0,0|2,0,1]=4 1890 B9R0.48 CCCC(C)NCC(=O)O 269956a_100016091260_100000766640 [0,1,0,0,0,0|2,0,1]=4 1891 B9R0.48 CCCC(C)OCC(=O)C 34a_100000211253_100000766640 [0,1,0,0,0,0|1,0,1]=3 1892 B9R0.48 CCCC(C)OCC(=O)N 34a_100000764384_100000187820 [0,1,0,0,0,0|2,0,1]=4 1893 B9R0.48 CCCC(C)OCC(=O)N 7a_100000764384_100000187820 [0,1,0,0,0,0|2,0,1]=4 1894 B9R0.48 CCCC(C)OCC(=O)[O-] 34a_100000764384_100020667443 [0,1,0,0,0,0|2,0,1]=4 1895 B9R0.48 CCCC(C)SCC(=O)N 62a_100000747473_100000766640 [0,1,0,0,0,0|2,0,1]=4 1896 B9R0.48 CCCC(C)SCC(=O)N 62a_100000766640_100000747473 [0,1,0,0,0,0|2,0,1]=4 1897 B9R0.48 CCCC(C)SCC(=O)[O-] 62a_100000766640_100020667443 [0,1,0,0,0,0|2,0,1]=4 1898 B9R0.48 CCCC(C)SCC(=O)[O-] 62a_100020667443_100000766640 [0,1,0,0,0,0|2,0,1]=4 1899 B9R0.48 CCCN(C)CC=C(C)C 2230a_100000747261_100000761012 [0,1,0,0,0,0|2,0,1]=4 1900 B9R0.48 CCCN(C)CC=C(C)C 269982a_100000747261_100000761012 [0,1,0,0,0,0|2,0,1]=4 1901 B9R0.48 CCCN(C)CCC(=O)C 269982a_100000747261_100000053229 [0,1,0,0,0,0|1,0,2]=4 1902 B9R0.48 CCCN(C)COC(=O)C 269982a_100000747261_100000076356 [0,1,0,0,0,0|2,0,1]=4 1903 B9R0.48 CCNC(C)COC(=O)C 270004a_100015525214_100000000629 [0,1,0,0,0,0|2,0,1]=4 1904 B9R0.48 CCOC(=O)C=CC(=O)C 1458a_100000210415_200000210301 [0,1,0,0,0,0|1,0,1]=3 1905 B9R0.48 CCOC(=O)C=CC(=O)[13CH3] 1458a_100000210415_200025704644 [0,1,0,0,0,0|1,0,1]=3 1906 B9R0.48 CNCC(C)CSC(=O)C 2230a_106832991635_200000116872 [0,1,0,0,0,0|2,0,1]=4 1907 B9R0.48 CNCC(C)CSC(=O)C 34a_100102657272_200000116872 [0,1,0,0,0,0|2,0,1]=4 1908 B9R0.48 CNCC(C)CSC(=O)C 7a_106832991635_200000116872 [0,1,0,0,0,0|2,0,1]=4 1909 B9R0.48 CNCC(O)COC(=O)C 34a_100102657272_200000139349 [0,1,0,0,0,0|2,0,1]=4 1910 B9R0.48 CNCC(O)COC(=O)C 7a_106832991635_200000139349 [0,1,0,0,0,0|2,0,1]=4 1911 B9R0.48 COCC(C)CSC(=O)C 34a_100138415774_200000116872 [0,1,0,0,0,0|2,0,1]=4 1912 B9R0.48 COCC(C)OCC(=O)C 34a_100000211253_100000765312 [0,1,0,0,0,0|2,0,1]=4 1913 B9R0.48 COCC(O)CNC(=O)C 240690a_100000756049_100015343762 [0,1,0,0,0,0|2,0,1]=4 1914 B9R0.48 COCC(O)CNC(=O)C 527a_100000756049_100103153847 [0,1,0,0,0,0|2,0,1]=4 1915 B9R0.48 COCC(O)COC(=O)C 34a_100138415774_200000139349 [0,1,0,0,0,0|2,0,1]=4 1916 B9R0.48 CSCC(C)CSC(=O)C 62a_200000116872_200000210301 [0,1,0,0,0,0|2,0,1]=4 1917 B9R0.48 CSCC(C)CSC(=O)C 62a_200000210301_200000116872 [0,1,0,0,0,0|2,0,1]=4 1918 B9R0.48 CSCC(O)COC(=O)C 62a_200000139349_200000210301 [0,1,0,0,0,0|2,0,1]=4 1919 B9R0.48 CSCC(O)COC(=O)C 62a_200000210301_200000139349 [0,1,0,0,0,0|2,0,1]=4 1920 B9R0.55 C=C(C)C=NNCC(C)O 4a_200000730056_100000210575 [0,1,0,0,0,0|3,0,0]=4 1921 B9R0.55 C=C(C)CCOCC(=O)C 34a_100000211253_100000730704 [0,1,0,0,0,0|1,0,2]=4 1922 B9R0.55 C=C(C)CNCCC(C)O 2230a_200000755665_100000748629 [0,1,0,0,0,0|2,0,1]=4 1923 B9R0.55 C=C(C)COCCC(C)Br 34a_100009893172_100000748629 [0,1,0,0,0,0|2,0,1]=4 1924 B9R0.55 C=C(C)COCCC(C)C 34a_100000210245_100000210312 [0,1,0,0,0,0|2,0,1]=4 1925 B9R0.55 C=C(C)COCCC(C)C 34a_100000210254_100000748629 [0,1,0,0,0,0|2,0,1]=4 1926 B9R0.55 C=C(C)COCCC(C)C 7a_100000210254_100000748629 [0,1,0,0,0,0|2,0,1]=4 1927 B9R0.55 C=C(C)COCCC(C)O 34a_100000210245_100012276601 [0,1,0,0,0,0|2,0,1]=4 1928 B9R0.55 C=C(C)COCC[C@@H](C)N 34a_100000706166_100000748629 [0,1,0,0,0,0|2,0,1]=4 1929 B9R0.55 C=C(C)CSCCC(C)C 62a_100000210312_100000211660 [0,1,0,0,0,0|2,0,1]=4 1930 B9R0.55 C=C(C)CSCCC(C)C 62a_100000748629_100000210312 [0,1,0,0,0,0|2,0,1]=4 1931 B9R0.55 C=C(C)CSCCC(C)O 62a_100000748629_100012276601 [0,1,0,0,0,0|2,0,1]=4 1932 B9R0.55 C=C(C)CSCCC(C)O 62a_100012276601_100000211660 [0,1,0,0,0,0|2,0,1]=4 1933 B9R0.55 CC(=CC=NNC(C)C)C 4a_100000741168_100011215525 [0,1,0,0,0,0|3,0,0]=4 1934 B9R0.55 CC(=CCCNC(C)C)C 2230a_100138425928_100011217483 [0,1,0,0,0,0|2,0,1]=4 1935 B9R0.55 CC(=CCCNC(C)C)C 34a_100138425928_100011217483 [0,1,0,0,0,0|2,0,1]=4 1936 B9R0.55 CC(=CCCOC(C)C)C 34a_100000212225_100011217483 [0,1,0,0,0,0|2,0,1]=4 1937 B9R0.55 CC(=CCCSC(C)C)C 62a_100000210206_100011217483 [0,1,0,0,0,0|2,0,1]=4 1938 B9R0.55 CC(=CCCSC(C)C)C 62a_100011217483_100000210206 [0,1,0,0,0,0|2,0,1]=4 1939 B9R0.55 CC(=CCNCC(C)C)C 2230a_100000210953_100000761012 [0,1,0,0,0,0|2,0,1]=4 1940 B9R0.55 CC(=CCNCC(C)C)C 270004a_100000718196_100000210432 [0,1,0,0,0,0|2,0,1]=4 1941 B9R0.55 CC(=CCNCC(C)C)C 34a_100000210953_100000761012 [0,1,0,0,0,0|2,0,1]=4 1942 B9R0.55 CC(=CCNCC(C)C)C 34a_100000718196_100000210624 [0,1,0,0,0,0|2,0,1]=4 1943 B9R0.55 CC(=CCNCC(C)O)C 2230a_100000210904_100000761012 [0,1,0,0,0,0|2,0,1]=4 1944 B9R0.55 CC(=CCNCC(C)O)C 34a_100000210904_100000761012 [0,1,0,0,0,0|2,0,1]=4 1945 B9R0.55 CC(=CCNCC(C)O)C 34a_100000718196_100011218427 [0,1,0,0,0,0|2,0,1]=4 1946 B9R0.55 CC(=CCNC[C@@H](C)O)C 34a_100000718196_100009817552 [0,1,0,0,0,0|2,0,1]=4 1947 B9R0.55 CC(=CCOCC(C)Br)C 34a_100012180447_100000761012 [0,1,0,0,0,0|2,0,1]=4 1948 B9R0.55 CC(=CCOCC(C)C)C 34a_100000210257_100000761012 [0,1,0,0,0,0|2,0,1]=4 1949 B9R0.55 CC(=CCOCC(C)C)C 34a_100000753907_100000210624 [0,1,0,0,0,0|2,0,1]=4 1950 B9R0.55 CC(=CCOCC(C)F)C 34a_100015925927_100000761012 [0,1,0,0,0,0|2,0,1]=4 1951 B9R0.55 CC(=CCOCC(C)O)C 34a_100000753907_100011218427 [0,1,0,0,0,0|2,0,1]=4 1952 B9R0.55 CC(=CCOC[C@@H](C)Cl)C 34a_100016084084_100000761012 [0,1,0,0,0,0|2,0,1]=4 1953 B9R0.55 CC(=CCOC[C@@H](C)N)C 34a_100000737577_100000761012 [0,1,0,0,0,0|2,0,1]=4 1954 B9R0.55 CC(=CCOC[C@@H](C)O)C 34a_100000753907_100009817552 [0,1,0,0,0,0|2,0,1]=4 1955 B9R0.55 CC(=CCSCC(C)C)C 62a_100000210624_100000761012 [0,1,0,0,0,0|2,0,1]=4 1956 B9R0.55 CC(=CCSCC(C)C)C 62a_100000761012_100000210760 [0,1,0,0,0,0|2,0,1]=4 1957 B9R0.55 CC(=CCSCC(C)O)C 62a_100000761012_100011218427 [0,1,0,0,0,0|2,0,1]=4 1958 B9R0.55 CC(=CCSCC(C)O)C 62a_100011218427_100000761012 [0,1,0,0,0,0|2,0,1]=4 1959 B9R0.55 CC(=CCSC[C@@H](C)O)C 62a_100000761012_100009817552 [0,1,0,0,0,0|2,0,1]=4 1960 B9R0.55 CC(=CCSC[C@@H](C)O)C 62a_100009817552_100000761012 [0,1,0,0,0,0|2,0,1]=4 1961 B9R0.55 CC(=O)CCCCC(=O)C 1458a_100000070787_100000735457 [0,1,0,0,0,0|0,0,3]=4 1962 B9R0.55 CC(=O)CCCCC(C)C 1458a_100000070787_100011216152 [0,1,0,0,0,0|0,0,2]=3 1963 B9R0.55 CC(=O)CCCCC(C)C 1458a_100011933920_200000210301 [0,1,0,0,0,0|0,0,2]=3 1964 B9R0.55 CC(=O)CCCCN(C)C 269982a_100102631434_100000735457 [0,1,0,0,0,0|1,0,2]=4 1965 B9R0.55 CC(=O)CCCNC(=O)C 1458a_100000194741_200000210301 [0,1,0,0,0,0|1,0,2]=4 1966 B9R0.55 CC(=O)CCCNC(C)C 34a_100138425928_100000685027 [0,1,0,0,0,0|1,0,2]=4 1967 B9R0.55 CC(=O)CCCOC(=O)C 1458a_100000070787_100000042594 [0,1,0,0,0,0|1,0,2]=4 1968 B9R0.55 CC(=O)CCCOC(C)C 34a_100000212225_100000685027 [0,1,0,0,0,0|1,0,2]=4 1969 B9R0.55 CC(=O)CCCOC(C)C 34a_100000759063_100000210206 [0,1,0,0,0,0|1,0,2]=4 1970 B9R0.55 CC(=O)CCCOC(C)C 7a_100000759063_100000210206 [0,1,0,0,0,0|1,0,2]=4 1971 B9R0.55 CC(=O)CCCSC(=O)C 1458a_100000070787_100000038929 [0,1,0,0,0,0|1,0,2]=4 1972 B9R0.55 CC(=O)CCCSC(C)C 62a_100000210206_100011215641 [0,1,0,0,0,0|1,0,2]=4 1973 B9R0.55 CC(=O)CCCSC(C)C 62a_100011215641_100000210206 [0,1,0,0,0,0|1,0,2]=4 1974 B9R0.55 CC(=O)CCOCC(C)C 34a_100000759926_100000210624 [0,1,0,0,0,0|1,0,2]=4 1975 B9R0.55 CC(=O)CCOCC(C)C 7a_100000759926_100000210760 [0,1,0,0,0,0|1,0,2]=4 1976 B9R0.55 CC(=O)CCOCC(C)O 34a_100000759926_100011218427 [0,1,0,0,0,0|1,0,2]=4 1977 B9R0.55 CC(=O)CCOCC(C)O 7a_100000759926_100011218427 [0,1,0,0,0,0|1,0,2]=4 1978 B9R0.55 CC(=O)CCOC[C@@H](C)O 34a_100000759926_100009817552 [0,1,0,0,0,0|1,0,2]=4 1979 B9R0.55 CC(=O)CCOC[C@@H](C)O 7a_100000759926_100009817552 [0,1,0,0,0,0|1,0,2]=4 1980 B9R0.55 CC(=O)CCSCC(C)C 62a_100000053229_100000210760 [0,1,0,0,0,0|1,0,2]=4 1981 B9R0.55 CC(=O)CCSCC(C)C 62a_100000210624_100000053229 [0,1,0,0,0,0|1,0,2]=4 1982 B9R0.55 CC(=O)CCSCC(C)O 62a_100000053229_100011218427 [0,1,0,0,0,0|1,0,2]=4 1983 B9R0.55 CC(=O)CCSCC(C)O 62a_100011218427_100000053229 [0,1,0,0,0,0|1,0,2]=4 1984 B9R0.55 CC(=O)CCSC[C@@H](C)O 62a_100000053229_100009817552 [0,1,0,0,0,0|1,0,2]=4 1985 B9R0.55 CC(=O)CCSC[C@@H](C)O 62a_100009817552_100000053229 [0,1,0,0,0,0|1,0,2]=4 1986 B9R0.55 CC(=O)COCCC(C)C 34a_100000211253_100000210312 [0,1,0,0,0,0|1,0,1]=3 1987 B9R0.55 CC(=O)COCCC(C)O 34a_100000211253_100012276601 [0,1,0,0,0,0|1,0,1]=3 1988 B9R0.55 CC(=O)COCOC(C)C 34a_100000211253_100000709892 [0,1,0,0,0,0|2,0,1]=4 1989 B9R0.55 CC(=O)NCCCC(=O)[13CH3] 1458a_100000194741_200025704644 [0,1,0,0,0,0|1,0,2]=4 1990 B9R0.55 CC(=O)NCCCC(C)C 11a_200000737386_100015343762 [0,1,0,0,0,0|1,0,1]=3 1991 B9R0.55 CC(=O)NCCCC(C)C 1626a_200000737386_100015343762 [0,1,0,0,0,0|1,0,1]=3 1992 B9R0.55 CC(=O)NCCCC(C)C 240690a_200000737386_100015343762 [0,1,0,0,0,0|1,0,1]=3 1993 B9R0.55 CC(=O)NCCCC(C)C 527a_200000737386_100103153847 [0,1,0,0,0,0|1,0,1]=3 1994 B9R0.55 CC(=O)NCCCN(C)C 240690a_102531767803_100015343762 [0,1,0,0,0,0|2,0,1]=4 1995 B9R0.55 CC(=O)NCCCN(C)C 527a_102531767803_100103153847 [0,1,0,0,0,0|2,0,1]=4 1996 B9R0.55 CC(=O)NCCCS(=O)C 11a_200000753449_100015343762 [0,1,0,0,0,0|2,0,1]=4 1997 B9R0.55 CC(=O)NCCCS(=O)C 240690a_200000753449_100015343762 [0,1,0,0,0,0|2,0,1]=4 1998 B9R0.55 CC(=O)NCCCS(=O)C 527a_200000753449_100103153847 [0,1,0,0,0,0|2,0,1]=4 1999 B9R0.55 CC(=O)NCCNC(C)C 2230a_100000209853_100000210206 [0,1,0,0,0,0|2,0,1]=4 2000 B9R0.55 CC(=O)NCCNC(C)C 2230a_100138425928_100000189650 [0,1,0,0,0,0|2,0,1]=4 2001 B9R0.55 CC(=O)NCCOC(C)C 11a_100000701111_100015343762 [0,1,0,0,0,0|2,0,1]=4 2002 B9R0.55 CC(=O)NCCOC(C)C 1626a_100000701111_100015343762 [0,1,0,0,0,0|2,0,1]=4 2003 B9R0.55 CC(=O)NCCOC(C)C 240690a_100000701111_100015343762 [0,1,0,0,0,0|2,0,1]=4 2004 B9R0.55 CC(=O)NCCOC(C)C 34a_100000158858_100000210206 [0,1,0,0,0,0|2,0,1]=4 2005 B9R0.55 CC(=O)NCCOC(C)C 527a_100000701111_100103153847 [0,1,0,0,0,0|2,0,1]=4 2006 B9R0.55 CC(=O)NCCSC(C)C 11a_100000731138_100015343762 [0,1,0,0,0,0|2,0,1]=4 2007 B9R0.55 CC(=O)NCCSC(C)C 1626a_100000731138_100015343762 [0,1,0,0,0,0|2,0,1]=4 2008 B9R0.55 CC(=O)NCCSC(C)C 240690a_100000731138_100015343762 [0,1,0,0,0,0|2,0,1]=4 2009 B9R0.55 CC(=O)NCCSC(C)C 527a_100000731138_100103153847 [0,1,0,0,0,0|2,0,1]=4 2010 B9R0.55 CC(=O)NCCSC(C)C 62a_100000189650_100000210206 [0,1,0,0,0,0|2,0,1]=4 2011 B9R0.55 CC(=O)NCCSC(C)C 62a_100000210206_100000189650 [0,1,0,0,0,0|2,0,1]=4 2012 B9R0.55 CC(=O)NN=CCC(C)C 4a_100000189765_100000185833 [0,1,0,0,0,0|2,0,1]=4 2013 B9R0.55 CC(=O)NNCCN(C)C 22a_100000738145_100000070787 [0,1,0,0,0,0|3,0,0]=4 2014 B9R0.55 CC(=O)OCCCN(C)C 269982a_100102631434_100000042594 [0,1,0,0,0,0|2,0,1]=4 2015 B9R0.55 CC(=O)OCCNC(C)C 34a_100138425928_100009814007 [0,1,0,0,0,0|2,0,1]=4 2016 B9R0.55 CC(=O)OCCOC(C)C 34a_100000212225_100009814007 [0,1,0,0,0,0|2,0,1]=4 2017 B9R0.55 CC(=O)OCCSC(C)C 62a_100000210206_100009814007 [0,1,0,0,0,0|2,0,1]=4 2018 B9R0.55 CC(=O)OCCSC(C)C 62a_100009814007_100000210206 [0,1,0,0,0,0|2,0,1]=4 2019 B9R0.55 CC(=O)OCNCC(C)C 34a_100000210953_100009813279 [0,1,0,0,0,0|2,0,1]=4 2020 B9R0.55 CC(=O)OCNCC(C)O 34a_100000210904_100009813279 [0,1,0,0,0,0|2,0,1]=4 2021 B9R0.55 CC(=O)OCOCC(C)Br 34a_100012180447_100009813279 [0,1,0,0,0,0|2,0,1]=4 2022 B9R0.55 CC(=O)OCOCC(C)C 34a_100000210257_100009813279 [0,1,0,0,0,0|2,0,1]=4 2023 B9R0.55 CC(=O)OCOCC(C)F 34a_100015925927_100009813279 [0,1,0,0,0,0|2,0,1]=4 2024 B9R0.55 CC(=O)OCOC[C@@H](C)Cl 34a_100016084084_100009813279 [0,1,0,0,0,0|2,0,1]=4 2025 B9R0.55 CC(=O)OCOC[C@@H](C)N 34a_100000737577_100009813279 [0,1,0,0,0,0|2,0,1]=4 2026 B9R0.55 CC(=O)OCSCC(C)C 62a_100000076356_100000210760 [0,1,0,0,0,0|2,0,1]=4 2027 B9R0.55 CC(=O)OCSCC(C)C 62a_100000210624_100000076356 [0,1,0,0,0,0|2,0,1]=4 2028 B9R0.55 CC(=O)OCSCC(C)O 62a_100000076356_100011218427 [0,1,0,0,0,0|2,0,1]=4 2029 B9R0.55 CC(=O)OCSCC(C)O 62a_100011218427_100000076356 [0,1,0,0,0,0|2,0,1]=4 2030 B9R0.55 CC(=O)OCSC[C@@H](C)O 62a_100000076356_100009817552 [0,1,0,0,0,0|2,0,1]=4 2031 B9R0.55 CC(=O)OCSC[C@@H](C)O 62a_100009817552_100000076356 [0,1,0,0,0,0|2,0,1]=4 2032 B9R0.55 CC(=O)SCCCN(C)C 2230a_100102631434_100000038929 [0,1,0,0,0,0|2,0,1]=4 2033 B9R0.55 CC(=O)SCCCN(C)C 269982a_100102631434_100000038929 [0,1,0,0,0,0|2,0,1]=4 2034 B9R0.55 CC(Br)CCOCC(=O)N 34a_100009893172_100000187820 [0,1,0,0,0,0|2,0,1]=4 2035 B9R0.55 CC(Br)CCOCC(=O)[O-] 34a_100009893172_100020667443 [0,1,0,0,0,0|2,0,1]=4 2036 B9R0.55 CC(C)CCCCC(=O)[13CH3] 1458a_100011933920_200025704644 [0,1,0,0,0,0|0,0,2]=3 2037 B9R0.55 CC(C)CCNCC(=O)N 2230a_100000711301_100000210312 [0,1,0,0,0,0|2,0,1]=4 2038 B9R0.55 CC(C)CCNCC(=O)O 269956a_100016091260_100000210312 [0,1,0,0,0,0|2,0,1]=4 2039 B9R0.55 CC(C)CCOCC(=O)N 34a_100000210254_100000187820 [0,1,0,0,0,0|2,0,1]=4 2040 B9R0.55 CC(C)CCOCC(=O)N 7a_100000210254_100000187820 [0,1,0,0,0,0|2,0,1]=4 2041 B9R0.55 CC(C)CCOCC(=O)[O-] 34a_100000210254_100020667443 [0,1,0,0,0,0|2,0,1]=4 2042 B9R0.55 CC(C)CCSCC(=O)N 62a_100000210312_100000747473 [0,1,0,0,0,0|2,0,1]=4 2043 B9R0.55 CC(C)CCSCC(=O)N 62a_100000747473_100000210312 [0,1,0,0,0,0|2,0,1]=4 2044 B9R0.55 CC(C)CCSCC(=O)[O-] 62a_100000210312_100020667443 [0,1,0,0,0,0|2,0,1]=4 2045 B9R0.55 CC(C)CCSCC(=O)[O-] 62a_100020667443_100000210312 [0,1,0,0,0,0|2,0,1]=4 2046 B9R0.55 CC(O)CCNCC(=O)N 2230a_100000711301_100012276601 [0,1,0,0,0,0|2,0,1]=4 2047 B9R0.55 CC(O)CCNCC(=O)N 2230a_200000755665_100000747473 [0,1,0,0,0,0|2,0,1]=4 2048 B9R0.55 CC(O)CCNCC(=O)O 269956a_100016091260_100012276601 [0,1,0,0,0,0|2,0,1]=4 2049 B9R0.55 CC(O)CCSCC(=O)N 62a_100000747473_100012276601 [0,1,0,0,0,0|2,0,1]=4 2050 B9R0.55 CC(O)CCSCC(=O)N 62a_100012276601_100000747473 [0,1,0,0,0,0|2,0,1]=4 2051 B9R0.55 CC(O)CCSCC(=O)[O-] 62a_100012276601_100020667443 [0,1,0,0,0,0|2,0,1]=4 2052 B9R0.55 CC(O)CCSCC(=O)[O-] 62a_100020667443_100012276601 [0,1,0,0,0,0|2,0,1]=4 2053 B9R0.55 C[C@@H](N)CCOCC(=O)N 34a_100000706166_100000187820 [0,1,0,0,0,0|2,0,1]=4 2054 B9R0.55 C[C@@H](N)CCOCC(=O)[O-] 34a_100000706166_100020667443 [0,1,0,0,0,0|2,0,1]=4 2055 B9R1.2 CCN1CCC=C(C1)C 2230a_100000725631_100000210202 [0,0,0,1,0,0|2,0,1]=4 2056 B9R1.2 CCN1CCC=C(C1)C 269982a_100000725631_100000204670 [0,0,0,1,0,0|2,0,1]=4 2057 B9R1.2 CCN1CCC=C(C1)C 34a_100000725631_100000210202 [0,0,0,1,0,0|2,0,1]=4 2058 B9R1.2 CCN1CCNC(=O)C1 2230a_100000184651_100000210202 [0,0,0,1,0,0|2,0,1]=4 2059 B9R1.2 CCN1CCOC(=O)C1 2230a_100000131268_100000210202 [0,0,0,1,0,0|2,0,1]=4 2060 B9R1.2 CNC1CCNC(=O)C1 2230a_100016994916_200000210301 [0,0,0,1,0,0|2,0,1]=4 2061 B9R1.2 CNC1CCNC(=O)C1 34a_100016994916_200000210301 [0,0,0,1,0,0|2,0,1]=4 2062 B9R1.2 COC1CCCC(=O)C1 34a_100012613340_200000210301 [0,0,0,1,0,0|1,0,2]=4 2063 B9R1.2 CO[C@@H]1CCNC(=O)C1 34a_100015189427_200000210301 [0,0,0,1,0,0|2,0,1]=4 2064 B9R1.2 [13CH3]NC1CCNC(=O)C1 2230a_100016994916_200025704644 [0,0,0,1,0,0|2,0,1]=4 2065 B9R1.2 [13CH3]NC1CCNC(=O)C1 34a_100016994916_200025704644 [0,0,0,1,0,0|2,0,1]=4 2066 B9R1.2 [13CH3]OC1CCCC(=O)C1 34a_100012613340_200025704644 [0,0,0,1,0,0|1,0,2]=4 2067 B9R1.2 [13CH3]O[C@@H]1CCNC(=O)C1 34a_100015189427_200025704644 [0,0,0,1,0,0|2,0,1]=4 2068 B9R1.6 CC(=O)C1=CCCCC1 1458a_100000765259_200000210301 [0,0,0,1,0,0|0,0,0]=1 2069 B9R1.6 CC(=O)C1=CCCCO1 1458a_100000764163_200000210301 [0,0,0,1,0,0|1,0,0]=2 2070 B9R1.6 CC(=O)C1=COCCC1 1458a_100000749935_200000210301 [0,0,0,1,0,0|1,0,0]=2 2071 B9R1.6 CC(=O)C1=COCCO1 1458a_100000008702_200000210301 [0,0,0,1,0,0|2,0,0]=3 2072 B9R1.6 CC(=O)C1C=CCCC1 1458a_100000070787_100000751183 [0,0,0,1,0,0|0,0,2]=3 2073 B9R1.6 CC(=O)C1CCCCC1 1458a_100000070787_100000210327 [0,0,0,1,0,0|0,0,2]=3 2074 B9R1.6 CC(=O)C1CCCCC1 1458a_100000210647_200000210301 [0,0,0,1,0,0|0,0,2]=3 2075 B9R1.6 CC(=O)C1CCCCO1 1458a_100000748299_200000210301 [0,0,0,1,0,0|1,0,1]=3 2076 B9R1.6 CC(=O)C1CCCOC1 1458a_100000070787_100000693364 [0,0,0,1,0,0|1,0,2]=4 2077 B9R1.6 CC(=O)C1CCCOC1 1458a_100000741522_200000210301 [0,0,0,1,0,0|1,0,2]=4 2078 B9R1.6 CC(=O)C1CCOCC1 1458a_100000070787_100011324220 [0,0,0,1,0,0|1,0,2]=4 2079 B9R1.6 CC(=O)C1CCOCC1 1458a_100000195482_200000210301 [0,0,0,1,0,0|1,0,2]=4 2080 B9R1.6 CC(=O)C1CCSCC1 1458a_100000755232_200000210301 [0,0,0,1,0,0|1,0,2]=4 2081 B9R1.6 CC(=O)C1COCCO1 1458a_100000045528_200000210301 [0,0,0,1,0,0|2,0,1]=4 2082 B9R1.6 CC(=O)C1SCCCS1 1458a_100000028545_200000210301 [0,0,0,1,0,0|2,0,1]=4 2083 B9R1.6 CC(=O)N1CCCOC1 11a_100000131196_100015343762 [0,0,0,1,0,0|2,0,1]=4 2084 B9R1.6 CC(=O)N1CCCOC1 240690a_100000131196_100015343762 [0,0,0,1,0,0|2,0,1]=4 2085 B9R1.6 CC(=O)N1CCOCC1 11a_100015191051_100015343762 [0,0,0,1,0,0|2,0,1]=4 2086 B9R1.6 CC(=O)N1CCOCC1 1626a_100015191051_100015343762 [0,0,0,1,0,0|2,0,1]=4 2087 B9R1.6 CC(=O)N1CCOCC1 240690a_100015191051_100015343762 [0,0,0,1,0,0|2,0,1]=4 2088 B9R1.6 CC(=O)N1CCOCC1 527a_100015191051_100103153847 [0,0,0,1,0,0|2,0,1]=4 2089 B9R1.6 CC(=O)N1CCSCC1 11a_100000737611_100015343762 [0,0,0,1,0,0|2,0,1]=4 2090 B9R1.6 CC(=O)N1CCSCC1 240690a_100000737611_100015343762 [0,0,0,1,0,0|2,0,1]=4 2091 B9R1.6 CC(=O)N1CCSCC1 527a_100000737611_100103153847 [0,0,0,1,0,0|2,0,1]=4 2092 B9R1.6 [13CH3]C(=O)C1=CCCCC1 1458a_100000765259_200025704644 [0,0,0,1,0,0|0,0,0]=1 2093 B9R1.6 [13CH3]C(=O)C1=CCCCO1 1458a_100000764163_200025704644 [0,0,0,1,0,0|1,0,0]=2 2094 B9R1.6 [13CH3]C(=O)C1=COCCC1 1458a_100000749935_200025704644 [0,0,0,1,0,0|1,0,0]=2 2095 B9R1.6 [13CH3]C(=O)C1=COCCO1 1458a_100000008702_200025704644 [0,0,0,1,0,0|2,0,0]=3 2096 B9R1.6 [13CH3]C(=O)C1CCCCC1 1458a_100000210647_200025704644 [0,0,0,1,0,0|0,0,2]=3 2097 B9R1.6 [13CH3]C(=O)C1CCCCO1 1458a_100000748299_200025704644 [0,0,0,1,0,0|1,0,1]=3 2098 B9R1.6 [13CH3]C(=O)C1CCCOC1 1458a_100000741522_200025704644 [0,0,0,1,0,0|1,0,2]=4 2099 B9R1.6 [13CH3]C(=O)C1CCOCC1 1458a_100000195482_200025704644 [0,0,0,1,0,0|1,0,2]=4 2100 B9R1.6 [13CH3]C(=O)C1CCSCC1 1458a_100000755232_200025704644 [0,0,0,1,0,0|1,0,2]=4 2101 B9R1.6 [13CH3]C(=O)C1COCCO1 1458a_100000045528_200025704644 [0,0,0,1,0,0|2,0,1]=4 2102 B9R1.6 [13CH3]C(=O)C1SCCCS1 1458a_100000028545_200025704644 [0,0,0,1,0,0|2,0,1]=4 2103 B9R1.7 CCCN1CNC(=O)C1 2230a_200000708111_100000210303 [0,0,0,1,0,0|2,0,1]=4 2104 B9R1.7 CCCc1ccc(s1)O 271570a_203496583355_100010157708 [0,0,0,1,0,0|1,0,2]=4 2105 B9R1.7 CCCn1ccc(n1)O 271570a_203496583355_100012457951 [0,0,0,1,0,0|2,0,1]=4 2106 B9R1.7 CCNC1CNC(=O)C1 2230a_100000697751_100000210202 [0,0,0,1,0,0|2,0,1]=4 2107 B9R1.7 CCOC1CCC(=O)C1 34a_100012614533_100000210202 [0,0,0,1,0,0|1,0,2]=4 2108 B9R1.7 CCOC1CNC(=O)C1 34a_100000690082_100000210202 [0,0,0,1,0,0|2,0,1]=4 2109 B9R1.7 CCSc1ccc(s1)C 62a_100000031368_100000210202 [0,0,0,1,0,0|1,1,1]=4 2110 B9R1.7 CCSc1ccc(s1)C 62a_100000210202_100000031368 [0,0,0,1,0,0|1,1,1]=4 2111 B9R1.7 CNCC1CNC(=O)C1 2230a_100016993742_200000210301 [0,0,0,1,0,0|2,0,1]=4 2112 B9R1.7 CNCC1CNC(=O)C1 34a_100016993742_200000210301 [0,0,0,1,0,0|2,0,1]=4 2113 B9R1.7 CNCc1ccc(o1)C 207a_100102657272_100000183696 [0,0,0,1,0,0|1,0,2]=4 2114 B9R1.7 CNCc1ccc(o1)C 270004a_106832991635_100000183696 [0,0,0,1,0,0|1,0,2]=4 2115 B9R1.7 CNCc1ccc(o1)C 34a_100011194323_200000210301 [0,0,0,1,0,0|1,0,2]=4 2116 B9R1.7 CNCc1ccc(s1)C 207a_100102657272_100000211121 [0,0,0,1,0,0|1,1,1]=4 2117 B9R1.7 CNCc1ccc(s1)C 2230a_100000238518_200000210301 [0,0,0,1,0,0|1,1,1]=4 2118 B9R1.7 CNCc1ccc(s1)C 270004a_106832991635_100000211121 [0,0,0,1,0,0|1,1,1]=4 2119 B9R1.7 COCC1CNC(=O)C1 34a_100016041077_200000210301 [0,0,0,1,0,0|2,0,1]=4 2120 B9R1.7 COC[C@@H]1C=C[C@@H](C1)N 34a_100020646542_200000210301 [0,0,0,1,0,0|2,0,1]=4 2121 B9R1.7 COCc1ccc(o1)C 34a_100011232665_200000210301 [0,0,0,1,0,0|1,0,2]=4 2122 B9R1.7 COCc1ccc(o1)C 7a_100011232665_200000210301 [0,0,0,1,0,0|1,0,2]=4 2123 B9R1.7 COCc1ccc(s1)C 34a_100000238367_200000210301 [0,0,0,1,0,0|1,1,1]=4 2124 B9R1.7 Cc1ccc(o1)CN[13CH3] 34a_100011194323_200025704644 [0,0,0,1,0,0|1,0,2]=4 2125 B9R1.7 Cc1ccc(o1)CO[13CH3] 34a_100011232665_200025704644 [0,0,0,1,0,0|1,0,2]=4 2126 B9R1.7 Cc1ccc(o1)CO[13CH3] 7a_100011232665_200025704644 [0,0,0,1,0,0|1,0,2]=4 2127 B9R1.7 Cc1ccc(s1)CN[13CH3] 2230a_100000238518_200025704644 [0,0,0,1,0,0|1,1,1]=4 2128 B9R1.7 Cc1ccc(s1)CO[13CH3] 34a_100000238367_200025704644 [0,0,0,1,0,0|1,1,1]=4 2129 B9R1.7 [13CH3]NCC1CNC(=O)C1 2230a_100016993742_200025704644 [0,0,0,1,0,0|2,0,1]=4 2130 B9R1.7 [13CH3]NCC1CNC(=O)C1 34a_100016993742_200025704644 [0,0,0,1,0,0|2,0,1]=4 2131 B9R1.7 [13CH3]OCC1CNC(=O)C1 34a_100016041077_200025704644 [0,0,0,1,0,0|2,0,1]=4 2132 B9R1.7 [13CH3]OC[C@@H]1C=C[C@@H](C1)N 34a_100020646542_200025704644 [0,0,0,1,0,0|2,0,1]=4 2133 B9R1.9 CCCSC1CC(=O)C1 62a_100009894365_100000210303 [0,0,0,1,0,0|1,0,2]=4 2134 B9R1.9 CCNCC1CC(=O)C1 2230a_100015525214_100009874392 [0,0,0,1,0,0|1,0,2]=4 2135 B9R1.9 CCOCC1CC(=O)C1 34a_100000101936_100000210202 [0,0,0,1,0,0|1,0,2]=4 2136 B9R1.9 CCSCC1CC(=O)C1 62a_100000210202_100009874392 [0,0,0,1,0,0|1,0,2]=4 2137 B9R1.9 CCSCC1CC(=O)C1 62a_100009874392_100000210202 [0,0,0,1,0,0|1,0,2]=4 2138 B9R1.13 C=C(C)CN1CCCC1 2230a_100000188435_100000748629 [0,0,0,1,0,0|2,0,1]=4 2139 B9R1.13 C=C(C)CN1CCCC1 269982a_100000188435_100000748629 [0,0,0,1,0,0|2,0,1]=4 2140 B9R1.13 CC(=O)C=C1CCCC1 1458a_100000743260_200000210301 [0,0,0,1,0,0|0,0,0]=1 2141 B9R1.13 CC(=O)CC1=CCCC1 1458a_100000050221_200000210301 [0,0,0,1,0,0|0,0,2]=3 2142 B9R1.13 CC(=O)CC1CCCC1 1458a_100000070787_100000740388 [0,0,0,1,0,0|0,0,2]=3 2143 B9R1.13 CC(=O)CC1CCCC1 1458a_100000210891_200000210301 [0,0,0,1,0,0|0,0,2]=3 2144 B9R1.13 CC(=O)CC1CCCO1 1458a_100000070787_100000203698 [0,0,0,1,0,0|1,0,2]=4 2145 B9R1.13 CC(=O)CC1CCOC1 1458a_100000070787_100000702531 [0,0,0,1,0,0|1,0,2]=4 2146 B9R1.13 CC(=O)CC1CCOC1 1458a_100011218419_200000210301 [0,0,0,1,0,0|1,0,2]=4 2147 B9R1.13 CC(=O)CN1CCCC1 1458a_100000740243_200000210301 [0,0,0,1,0,0|1,0,1]=3 2148 B9R1.13 CC(=O)NC1CCCC1 11a_100000211070_100015343762 [0,0,0,1,0,0|1,0,1]=3 2149 B9R1.13 CC(=O)NC1CCCC1 1626a_100000211070_100015343762 [0,0,0,1,0,0|1,0,1]=3 2150 B9R1.13 CC(=O)NC1CCCC1 240690a_100000211070_100015343762 [0,0,0,1,0,0|1,0,1]=3 2151 B9R1.13 CC(=O)NC1CCCC1 527a_100000211070_100103153847 [0,0,0,1,0,0|1,0,1]=3 2152 B9R1.13 CC(=O)N[C@@H]1CCOC1 240690a_200015188469_100015343762 [0,0,0,1,0,0|2,0,1]=4 2153 B9R1.13 CC(=O)N[C@@H]1CCOC1 527a_200015188469_100103153847 [0,0,0,1,0,0|2,0,1]=4 2154 B9R1.13 CC(=O)N[C@H]1CCOC1 11a_100015188467_100015343762 [0,0,0,1,0,0|2,0,1]=4 2155 B9R1.13 CC(=O)N[C@H]1CCOC1 1626a_100015188467_100015343762 [0,0,0,1,0,0|2,0,1]=4 2156 B9R1.13 CC(=O)N[C@H]1CCOC1 240690a_100015188467_100015343762 [0,0,0,1,0,0|2,0,1]=4 2157 B9R1.13 CC(=O)N[C@H]1CCOC1 527a_100015188467_100103153847 [0,0,0,1,0,0|2,0,1]=4 2158 B9R1.13 NC(=O)CN1CCCC1 2230a_100000188435_100000747473 [0,0,0,1,0,0|2,0,1]=4 2159 B9R1.13 NC(=O)CN1CCCC1 269982a_100000188435_100000187820 [0,0,0,1,0,0|2,0,1]=4 2160 B9R1.13 O=C([O-])CN1CCCC1 269982a_100000188435_100020667443 [0,0,0,1,0,0|2,0,1]=4 2161 B9R1.13 [13CH3]C(=O)C=C1CCCC1 1458a_100000743260_200025704644 [0,0,0,1,0,0|0,0,0]=1 2162 B9R1.13 [13CH3]C(=O)CC1=CCCC1 1458a_100000050221_200025704644 [0,0,0,1,0,0|0,0,2]=3 2163 B9R1.13 [13CH3]C(=O)CC1CCCC1 1458a_100000210891_200025704644 [0,0,0,1,0,0|0,0,2]=3 2164 B9R1.13 [13CH3]C(=O)CC1CCOC1 1458a_100011218419_200025704644 [0,0,0,1,0,0|1,0,2]=4 2165 B9R1.13 [13CH3]C(=O)CN1CCCC1 1458a_100000740243_200025704644 [0,0,0,1,0,0|1,0,1]=3 2166 B9R1.41 CC(=O)C1CCCC1C 1458a_100000690547_200000210301 [0,0,0,1,0,0|0,0,2]=3 2167 B9R1.41 CC(=O)N1CCC[C@@H]1C 240690a_100020605311_100015343762 [0,0,0,1,0,0|1,0,1]=3 2168 B9R1.41 CC(=O)N1CCC[C@@H]1C 527a_100020605311_100103153847 [0,0,0,1,0,0|1,0,1]=3 2169 B9R1.41 CC(=O)N1CCC[C@H]1C 11a_100015189458_100015343762 [0,0,0,1,0,0|1,0,1]=3 2170 B9R1.41 CC(=O)N1CCC[C@H]1C 240690a_100015189458_100015343762 [0,0,0,1,0,0|1,0,1]=3 2171 B9R1.41 CC(=O)N1CCC[C@H]1C 527a_100015189458_100103153847 [0,0,0,1,0,0|1,0,1]=3 2172 B9R1.41 CC(=O)N1CCSC1C 11a_200011216479_100015343762 [0,0,0,1,0,0|2,0,1]=4 2173 B9R1.41 CC(=O)N1CCSC1C 1626a_200011216479_100015343762 [0,0,0,1,0,0|2,0,1]=4 2174 B9R1.41 CC(=O)N1CCSC1C 240690a_200011216479_100015343762 [0,0,0,1,0,0|2,0,1]=4 2175 B9R1.41 CC(=O)N1CCSC1C 527a_200011216479_100103153847 [0,0,0,1,0,0|2,0,1]=4 2176 B9R1.41 CC(=O)[C@@H]1CCCN1C 1458a_100009816429_200000210301 [0,0,0,1,0,0|1,0,2]=4 2177 B9R1.41 CC1CCCC1C(=O)[13CH3] 1458a_100000690547_200025704644 [0,0,0,1,0,0|0,0,2]=3 2178 B9R1.41 CN1CCC[C@H]1C(=O)[13CH3] 1458a_100009816429_200025704644 [0,0,0,1,0,0|1,0,2]=4 2179 B9R1.48 CN1CCCNC(=O)C1 2230a_100015190381_200000210301 [0,0,0,1,0,0|2,0,1]=4 2180 B9R1.48 [13CH3]N1CCCNC(=O)C1 2230a_100015190381_200025704644 [0,0,0,1,0,0|2,0,1]=4 2181 B9R1.67 C=C(C)CN1CCC1C 269982a_100000755817_100000748629 [0,0,0,1,0,0|2,0,1]=4 2182 B9R1.67 C=C(C)CN1CCC1C 34a_100000755817_100000748629 [0,0,0,1,0,0|2,0,1]=4 2183 B9R1.67 CC1CCN1CC(=O)N 269982a_100000755817_100000187820 [0,0,0,1,0,0|2,0,1]=4 2184 B9R1.67 CC1CCN1CC(=O)N 34a_100000755817_100000187820 [0,0,0,1,0,0|2,0,1]=4 2185 B9R1.67 CC1CCN1CC(=O)[O-] 269982a_100000755817_100020667443 [0,0,0,1,0,0|2,0,1]=4 2186 B9R1.67 CC1CCN1CC(=O)[O-] 34a_100000755817_100020667443 [0,0,0,1,0,0|2,0,1]=4 2187 B9R1.84 C=C(C)CNC1CCC1 2230a_100000749019_100000748629 [0,0,0,1,0,0|2,0,1]=4 2188 B9R1.84 C=C(C)CNC1CCC1 34a_100000749019_100000748629 [0,0,0,1,0,0|2,0,1]=4 2189 B9R1.84 C=C(C)COC1CCC1 34a_100000210245_100000749161 [0,0,0,1,0,0|2,0,1]=4 2190 B9R1.84 C=C(C)COC1CCC1 34a_100000748187_100000748629 [0,0,0,1,0,0|2,0,1]=4 2191 B9R1.84 C=C(C)CSC1CCC1 62a_100000748629_100000749161 [0,0,0,1,0,0|2,0,1]=4 2192 B9R1.84 CC(=CCN1CCC1)C 269982a_100000754969_100000761012 [0,0,0,1,0,0|2,0,1]=4 2193 B9R1.84 CC(=O)CCN1CCC1 269982a_100000754969_100000053229 [0,0,0,1,0,0|1,0,2]=4 2194 B9R1.84 CC(=O)COC1CCC1 34a_100000211253_100000749161 [0,0,0,1,0,0|1,0,1]=3 2195 B9R1.84 CC(=O)COC1COC1 34a_100000211253_100009818527 [0,0,0,1,0,0|2,0,1]=4 2196 B9R1.84 CC(=O)NCC1CCC1 11a_100000738700_100015343762 [0,0,0,1,0,0|1,0,1]=3 2197 B9R1.84 CC(=O)NCC1CCC1 1626a_100000738700_100015343762 [0,0,0,1,0,0|1,0,1]=3 2198 B9R1.84 CC(=O)NCC1CCC1 240690a_100000738700_100015343762 [0,0,0,1,0,0|1,0,1]=3 2199 B9R1.84 CC(=O)NCC1CCC1 527a_100000738700_100103153847 [0,0,0,1,0,0|1,0,1]=3 2200 B9R1.84 CC(=O)NCC1COC1 11a_100015281925_100015343762 [0,0,0,1,0,0|2,0,1]=4 2201 B9R1.84 CC(=O)NCC1COC1 1626a_100015281925_100015343762 [0,0,0,1,0,0|2,0,1]=4 2202 B9R1.84 CC(=O)NCC1COC1 240690a_100015281925_100015343762 [0,0,0,1,0,0|2,0,1]=4 2203 B9R1.84 CC(=O)NCC1COC1 527a_100015281925_100103153847 [0,0,0,1,0,0|2,0,1]=4 2204 B9R1.84 CC(=O)NC[C@@H]1CCO1 11a_100020831831_100015343762 [0,0,0,1,0,0|2,0,1]=4 2205 B9R1.84 CC(=O)NC[C@@H]1CCO1 1626a_100020831831_100015343762 [0,0,0,1,0,0|2,0,1]=4 2206 B9R1.84 CC(=O)NC[C@@H]1CCO1 240690a_100020831831_100015343762 [0,0,0,1,0,0|2,0,1]=4 2207 B9R1.84 CC(=O)NC[C@@H]1CCO1 527a_100020831831_100103153847 [0,0,0,1,0,0|2,0,1]=4 2208 B9R1.84 CC(=O)NN=C1CCC1 4a_100000189765_100000241760 [0,0,0,1,0,0|2,0,1]=4 2209 B9R1.84 CC(=O)NNC1CCC1 22a_100000736358_100000070787 [0,0,0,1,0,0|2,0,0]=3 2210 B9R1.84 CC(=O)NNC1COC1 22a_100015188821_100000070787 [0,0,0,1,0,0|3,0,0]=4 2211 B9R1.84 CC(=O)OCN1CCC1 269982a_100000754969_100000076356 [0,0,0,1,0,0|2,0,1]=4 2212 B9R1.84 NC(=O)CNC1CCC1 2230a_100000749019_100000747473 [0,0,0,1,0,0|2,0,1]=4 2213 B9R1.84 NC(=O)CNC1CCC1 34a_100000749019_100000187820 [0,0,0,1,0,0|2,0,1]=4 2214 B9R1.84 NC(=O)COC1CCC1 34a_100000748187_100000187820 [0,0,0,1,0,0|2,0,1]=4 2215 B9R1.84 NC(=O)CSC1CCC1 62a_100000747473_100000749161 [0,0,0,1,0,0|2,0,1]=4 2216 B9R1.84 O=C(O)CNC1CCC1 269956a_100016091260_100000749161 [0,0,0,1,0,0|2,0,1]=4 2217 B9R1.84 O=C([O-])CNC1CCC1 34a_100000749019_100020667443 [0,0,0,1,0,0|2,0,1]=4 2218 B9R1.84 O=C([O-])COC1CCC1 34a_100000748187_100020667443 [0,0,0,1,0,0|2,0,1]=4 2219 B9R1.84 O=C([O-])CSC1CCC1 62a_100020667443_100000749161 [0,0,0,1,0,0|2,0,1]=4 2220 B9R1.85 C=C(C)C=NNC1CC1 4a_100000701032_100000210575 [0,0,0,1,0,0|3,0,0]=4 2221 B9R1.85 C=C(C)CNCC1CC1 2230a_100000735609_100000748629 [0,0,0,1,0,0|2,0,1]=4 2222 B9R1.85 C=C(C)CNCC1CC1 34a_100000735609_100000748629 [0,0,0,1,0,0|2,0,1]=4 2223 B9R1.85 C=C(C)COCC1CC1 34a_100000210245_100000742324 [0,0,0,1,0,0|2,0,1]=4 2224 B9R1.85 C=C(C)COCC1CC1 34a_100000211283_100000748629 [0,0,0,1,0,0|2,0,1]=4 2225 B9R1.85 C=C(C)CSCC1CC1 62a_100000748629_100000742324 [0,0,0,1,0,0|2,0,1]=4 2226 B9R1.85 C=C(C)CSCC1CC1 62a_100000756562_100000211660 [0,0,0,1,0,0|2,0,1]=4 2227 B9R1.85 CC(=CCNC1CC1)C 34a_100000212008_100000761012 [0,0,0,1,0,0|2,0,1]=4 2228 B9R1.85 CC(=CCNC1CC1)C 34a_100000718196_100000211595 [0,0,0,1,0,0|2,0,1]=4 2229 B9R1.85 CC(=CCOC1CC1)C 34a_100000753907_100000211595 [0,0,0,1,0,0|2,0,1]=4 2230 B9R1.85 CC(=CCSC1CC1)C 62a_100000761012_100000211595 [0,0,0,1,0,0|2,0,1]=4 2231 B9R1.85 CC(=O)CC#CC1CC1 1458a_100000070787_100009895102 [0,0,0,1,0,0|0,0,3]=4 2232 B9R1.85 CC(=O)CCCC1CO1 1458a_100000070787_100000733510 [0,0,0,1,0,0|1,0,2]=4 2233 B9R1.85 CC(=O)CCOC1CC1 34a_100000759926_100000211595 [0,0,0,1,0,0|1,0,2]=4 2234 B9R1.85 CC(=O)CCSC1CC1 62a_100000053229_100000211595 [0,0,0,1,0,0|1,0,2]=4 2235 B9R1.85 CC(=O)COCC1CC1 34a_100000211253_100000742324 [0,0,0,1,0,0|1,0,1]=3 2236 B9R1.85 CC(=O)COCC1CO1 34a_100000211253_102125554688 [0,0,0,1,0,0|2,0,1]=4 2237 B9R1.85 CC(=O)CSCC1CC1 1458a_200011316215_200000210301 [0,0,0,1,0,0|1,0,1]=3 2238 B9R1.85 CC(=O)NCCC1CC1 1626a_100000764129_100015343762 [0,0,0,1,0,0|1,0,1]=3 2239 B9R1.85 CC(=O)NCCC1CC1 240690a_100000764129_100015343762 [0,0,0,1,0,0|1,0,1]=3 2240 B9R1.85 CC(=O)NCCC1CC1 527a_100000764129_100103153847 [0,0,0,1,0,0|1,0,1]=3 2241 B9R1.85 CC(=O)NN=CC1CC1 4a_100000189765_100000741477 [0,0,0,1,0,0|2,0,1]=4 2242 B9R1.85 CC(=O)NNCC1CC1 22a_100000736359_100000070787 [0,0,0,1,0,0|2,0,0]=3 2243 B9R1.85 CC(=O)OCNC1CC1 34a_100000212008_100009813279 [0,0,0,1,0,0|2,0,1]=4 2244 B9R1.85 CC(=O)OCSC1CC1 62a_100000076356_100000211595 [0,0,0,1,0,0|2,0,1]=4 2245 B9R1.85 NC(=O)CNCC1CC1 2230a_100000711301_100000742324 [0,0,0,1,0,0|2,0,1]=4 2246 B9R1.85 NC(=O)CNCC1CC1 2230a_100000735609_100000747473 [0,0,0,1,0,0|2,0,1]=4 2247 B9R1.85 NC(=O)CNCC1CC1 34a_100000735609_100000187820 [0,0,0,1,0,0|2,0,1]=4 2248 B9R1.85 NC(=O)COCC1CC1 34a_100000211283_100000187820 [0,0,0,1,0,0|2,0,1]=4 2249 B9R1.85 NC(=O)CSCC1CC1 62a_100000747473_100000742324 [0,0,0,1,0,0|2,0,1]=4 2250 B9R1.85 NC(=O)CSCC1CC1 62a_100000756562_100000747473 [0,0,0,1,0,0|2,0,1]=4 2251 B9R1.85 O=C(O)CNCC1CC1 269956a_100016091260_100000742324 [0,0,0,1,0,0|2,0,1]=4 2252 B9R1.85 O=C([O-])CNCC1CC1 34a_100000735609_100020667443 [0,0,0,1,0,0|2,0,1]=4 2253 B9R1.85 O=C([O-])COCC1CC1 34a_100000211283_100020667443 [0,0,0,1,0,0|2,0,1]=4 2254 B9R1.85 O=C([O-])CSCC1CC1 62a_100000756562_100020667443 [0,0,0,1,0,0|2,0,1]=4 2255 B9R1.85 O=C([O-])CSCC1CC1 62a_100020667443_100000742324 [0,0,0,1,0,0|2,0,1]=4 2256 B9R1.85 [13CH3]C(=O)CSCC1CC1 1458a_200011316215_200025704644 [0,0,0,1,0,0|1,0,1]=3 2257 B6R0.6 C/C=C/CCOC 34a_100016278192_200000210301 [2,0,0,0,0,0|1,0,0]=3 2258 B6R0.6 C/C=C/CCO[13CH3] 34a_100016278192_200025704644 [2,0,0,0,0,0|1,0,0]=3 2259 B6R0.6 C/C=C/COCC 34a_100016270725_100000210202 [2,0,0,0,0,0|1,0,0]=3 2260 B6R0.6 C/C=C/COCC 34a_100121572206_100102629194 [2,0,0,0,0,0|1,0,0]=3 2261 B6R0.6 C/C=C/COCF 34a_100016270725_100015361967 [2,0,0,0,0,0|2,0,0]=4 2262 B6R0.6 C/C=C/CSCC 62a_100000210202_100102629194 [2,0,0,0,0,0|1,0,0]=3 2263 B6R0.6 C/C=C/CSCC 62a_100102629194_100000210202 [2,0,0,0,0,0|1,0,0]=3 2264 B6R0.6 C/C=C/CSCF 62a_100015361967_100102629194 [2,0,0,0,0,0|2,0,0]=4 2265 B6R0.6 C/C=C/CSCF 62a_100102629194_100015361967 [2,0,0,0,0,0|2,0,0]=4 2266 B6R0.6 C=CCCCNC 2230a_100000700776_200000210301 [2,0,0,0,0,0|1,0,1]=4 2267 B6R0.6 C=CCCCNC 2230a_106832991635_100011713584 [2,0,0,0,0,0|1,0,1]=4 2268 B6R0.6 C=CCCCNC 34a_100000700776_200000210301 [2,0,0,0,0,0|1,0,1]=4 2269 B6R0.6 C=CCCCNC 34a_100102657272_100000757094 [2,0,0,0,0,0|1,0,1]=4 2270 B6R0.6 C=CCCCNC 7a_106832991635_100000757094 [2,0,0,0,0,0|1,0,1]=4 2271 B6R0.6 C=CCCCN[13CH3] 2230a_100000700776_200025704644 [2,0,0,0,0,0|1,0,1]=4 2272 B6R0.6 C=CCCCN[13CH3] 34a_100000700776_200025704644 [2,0,0,0,0,0|1,0,1]=4 2273 B6R0.6 C=CCCCOC 34a_100000758997_200000210301 [2,0,0,0,0,0|1,0,1]=4 2274 B6R0.6 C=CCCCOC 34a_100138415774_100000757094 [2,0,0,0,0,0|1,0,1]=4 2275 B6R0.6 C=CCCCOC 7a_100000758997_200000210301 [2,0,0,0,0,0|1,0,1]=4 2276 B6R0.6 C=CCCCO[13CH3] 34a_100000758997_200025704644 [2,0,0,0,0,0|1,0,1]=4 2277 B6R0.6 C=CCCCO[13CH3] 7a_100000758997_200025704644 [2,0,0,0,0,0|1,0,1]=4 2278 B6R0.6 C=CCCCSC 62a_100011713584_200000210301 [2,0,0,0,0,0|1,0,1]=4 2279 B6R0.6 C=CCCCSC 62a_200000210301_100000757094 [2,0,0,0,0,0|1,0,1]=4 2280 B6R0.6 C=CCCCS[13CH3] 62a_100011713584_200025704644 [2,0,0,0,0,0|1,0,1]=4 2281 B6R0.6 C=CCCCS[13CH3] 62a_200025704644_100000757094 [2,0,0,0,0,0|1,0,1]=4 2282 B6R0.6 C=CCCNCC 2230a_100015191253_100000210202 [2,0,0,0,0,0|1,0,1]=4 2283 B6R0.6 C=CCCNCC 2230a_100015525214_100000754431 [2,0,0,0,0,0|1,0,1]=4 2284 B6R0.6 C=CCCOCC 34a_100011205117_100000210202 [2,0,0,0,0,0|1,0,1]=4 2285 B6R0.6 C=CCCOCC 34a_100121572206_100000754431 [2,0,0,0,0,0|1,0,1]=4 2286 B6R0.6 C=CCCSCC 62a_100000210202_100000754431 [2,0,0,0,0,0|1,0,1]=4 2287 B6R0.6 C=CCCSCC 62a_100000754431_100000210202 [2,0,0,0,0,0|1,0,1]=4 2288 B6R0.6 C=CCNCCC 2230a_100020586998_100000210303 [2,0,0,0,0,0|1,0,1]=4 2289 B6R0.6 C=CCOCCC 34a_100000210258_100015514636 [2,0,0,0,0,0|1,0,1]=4 2290 B6R0.6 C=CCOCCC 34a_200000210373_100000210303 [2,0,0,0,0,0|1,0,1]=4 2291 B6R0.6 C=CCSCCC 62a_100000210303_100000210623 [2,0,0,0,0,0|1,0,1]=4 2292 B6R0.6 C=CCSCCC 62a_100000210623_100000210303 [2,0,0,0,0,0|1,0,1]=4 2293 B6R0.6 C=COCCNC 2230a_106832991635_100000039644 [2,0,0,0,0,0|2,0,0]=4 2294 B6R0.6 C=COCCNC 34a_100102657272_100000039644 [2,0,0,0,0,0|2,0,0]=4 2295 B6R0.6 C=COCCNC 7a_106832991635_100000039644 [2,0,0,0,0,0|2,0,0]=4 2296 B6R0.6 C=COCCOC 34a_100000033082_200000210301 [2,0,0,0,0,0|2,0,0]=4 2297 B6R0.6 C=COCCOC 34a_100138415774_100000039644 [2,0,0,0,0,0|2,0,0]=4 2298 B6R0.6 C=COCCO[13CH3] 34a_100000033082_200025704644 [2,0,0,0,0,0|2,0,0]=4 2299 B6R0.6 C=COCCSC 62a_100000039644_200000210301 [2,0,0,0,0,0|2,0,0]=4 2300 B6R0.6 C=COCCSC 62a_200000210301_100000039644 [2,0,0,0,0,0|2,0,0]=4 2301 B6R0.6 C=COCCS[13CH3] 62a_100000039644_200025704644 [2,0,0,0,0,0|2,0,0]=4 2302 B6R0.6 C=COCCS[13CH3] 62a_200025704644_100000039644 [2,0,0,0,0,0|2,0,0]=4 2303 B6R0.6 CC/C=C\CNC 2230a_106832991635_100103147603 [2,0,0,0,0,0|1,0,1]=4 2304 B6R0.6 CC/C=C\CNC 34a_100102657272_100103147603 [2,0,0,0,0,0|1,0,1]=4 2305 B6R0.6 CC/C=C\CNC 7a_106832991635_100103147603 [2,0,0,0,0,0|1,0,1]=4 2306 B6R0.6 CC/C=C\COC 34a_100016268518_200000210301 [2,0,0,0,0,0|1,0,1]=4 2307 B6R0.6 CC/C=C\COC 34a_100138415774_100103147603 [2,0,0,0,0,0|1,0,1]=4 2308 B6R0.6 CC/C=C\CO[13CH3] 34a_100016268518_200025704644 [2,0,0,0,0,0|1,0,1]=4 2309 B6R0.6 CC/C=C\CSC 62a_100103147603_200000210301 [2,0,0,0,0,0|1,0,1]=4 2310 B6R0.6 CC/C=C\CSC 62a_200000210301_100103147603 [2,0,0,0,0,0|1,0,1]=4 2311 B6R0.6 CC/C=C\CS[13CH3] 62a_100103147603_200025704644 [2,0,0,0,0,0|1,0,1]=4 2312 B6R0.6 CC/C=C\CS[13CH3] 62a_200025704644_100103147603 [2,0,0,0,0,0|1,0,1]=4 2313 B6R0.6 CC=CCNCC 2230a_100015525214_100000070051 [2,0,0,0,0,0|1,0,0]=3 2314 B6R0.6 CC=CCOCC 34a_100121572206_100000070051 [2,0,0,0,0,0|1,0,0]=3 2315 B6R0.6 CC=CCSCC 62a_100000070051_100000210202 [2,0,0,0,0,0|1,0,0]=3 2316 B6R0.6 CC=CCSCC 62a_100000210202_100000070051 [2,0,0,0,0,0|1,0,0]=3 2317 B6R0.6 CC=CCSCF 62a_100000070051_100015361967 [2,0,0,0,0,0|2,0,0]=4 2318 B6R0.6 CC=CCSCF 62a_100015361967_100000070051 [2,0,0,0,0,0|2,0,0]=4 2319 B6R0.6 CC=NNCCC 4a_100000740057_200000210099 [2,0,0,0,0,0|2,0,0]=4 2320 B6R0.6 CCCCCNC 2230a_100000209983_200000210301 [2,0,0,0,0,0|1,0,1]=4 2321 B6R0.6 CCCCCNC 2230a_106832991635_100000210326 [2,0,0,0,0,0|1,0,1]=4 2322 B6R0.6 CCCCCNC 34a_100102657272_100000718602 [2,0,0,0,0,0|1,0,1]=4 2323 B6R0.6 CCCCCNC 7a_106832991635_100000210326 [2,0,0,0,0,0|1,0,1]=4 2324 B6R0.6 CCCCCN[13CH3] 2230a_100000209983_200025704644 [2,0,0,0,0,0|1,0,1]=4 2325 B6R0.6 CCCCCOC 34a_100000210253_200000210301 [2,0,0,0,0,0|1,0,1]=4 2326 B6R0.6 CCCCCOC 34a_100138415774_100000718602 [2,0,0,0,0,0|1,0,1]=4 2327 B6R0.6 CCCCCOC 7a_100000210253_200000210301 [2,0,0,0,0,0|1,0,1]=4 2328 B6R0.6 CCCCCO[13CH3] 34a_100000210253_200025704644 [2,0,0,0,0,0|1,0,1]=4 2329 B6R0.6 CCCCCO[13CH3] 7a_100000210253_200025704644 [2,0,0,0,0,0|1,0,1]=4 2330 B6R0.6 CCCCCSC 62a_100000210326_200000210301 [2,0,0,0,0,0|1,0,1]=4 2331 B6R0.6 CCCCCSC 62a_200000210301_100000210326 [2,0,0,0,0,0|1,0,1]=4 2332 B6R0.6 CCCCCS[13CH3] 62a_100000210326_200025704644 [2,0,0,0,0,0|1,0,1]=4 2333 B6R0.6 CCCCCS[13CH3] 62a_200025704644_100000210326 [2,0,0,0,0,0|1,0,1]=4 2334 B6R0.6 CCCCNCC 2230a_100000102301_100000210202 [2,0,0,0,0,0|1,0,1]=4 2335 B6R0.6 CCCCNCC 2230a_100015525214_100000210211 [2,0,0,0,0,0|1,0,1]=4 2336 B6R0.6 CCCCNCC 7a_106832991798_100000210202 [2,0,0,0,0,0|1,0,1]=4 2337 B6R0.6 CCCCOCC 34a_100000210227_100000210202 [2,0,0,0,0,0|1,0,1]=4 2338 B6R0.6 CCCCOCC 34a_100121572206_100000210210 [2,0,0,0,0,0|1,0,1]=4 2339 B6R0.6 CCCCOCC 7a_100000210227_100000210202 [2,0,0,0,0,0|1,0,1]=4 2340 B6R0.6 CCCCSCC 62a_100000210202_100000210210 [2,0,0,0,0,0|1,0,1]=4 2341 B6R0.6 CCCCSCC 62a_100000210211_100000210202 [2,0,0,0,0,0|1,0,1]=4 2342 B6R0.6 CCCOCC=O 34a_100000210258_200009817547 [2,0,0,0,0,0|1,0,1]=4 2343 B6R0.6 CCCSCC=O 62a_100000210303_200015260668 [2,0,0,0,0,0|1,0,1]=4 2344 B6R0.6 CCCSCC=O 62a_200015260668_100000210303 [2,0,0,0,0,0|1,0,1]=4 2345 B6R0.6 CNCCCC=O 2230a_106832991635_200011292268 [2,0,0,0,0,0|1,0,1]=4 2346 B6R0.6 CNCCCC=O 7a_106832991635_200011292268 [2,0,0,0,0,0|1,0,1]=4 2347 B6R0.6 CSCCCC=O 62a_200000210301_200011292268 [2,0,0,0,0,0|1,0,1]=4 2348 B6R0.6 CSCCCC=O 62a_200011292268_200000210301 [2,0,0,0,0,0|1,0,1]=4 2349 B6R0.6 [13CH3]SCCCC=O 62a_200011292268_200025704644 [2,0,0,0,0,0|1,0,1]=4 2350 B6R0.6 [13CH3]SCCCC=O 62a_200025704644_200011292268 [2,0,0,0,0,0|1,0,1]=4 2351 B6R0.4 C#CCCC(=O)C 1458a_100000070787_100000753159 [2,0,0,0,0,0|0,0,2]=4 2352 B6R0.4 C#CCCC(=O)C 1458a_100000692101_200000210301 [2,0,0,0,0,0|0,0,2]=4 2353 B6R0.4 C#CCCC(=O)[13CH3] 1458a_100000692101_200025704644 [2,0,0,0,0,0|0,0,2]=4 2354 B6R0.4 C/C=C/CC(=O)C 1458a_100000070787_100102629194 [2,0,0,0,0,0|0,0,2]=4 2355 B6R0.4 C=C(C)CCNC 2230a_106832991635_100000730704 [2,0,0,0,0,0|2,0,0]=4 2356 B6R0.4 C=C(C)CCNC 34a_100102657272_100000730704 [2,0,0,0,0,0|2,0,0]=4 2357 B6R0.4 C=C(C)CCNC 7a_106832991635_100000730704 [2,0,0,0,0,0|2,0,0]=4 2358 B6R0.4 C=C(C)CCOC 34a_100000764851_200000210301 [2,0,0,0,0,0|2,0,0]=4 2359 B6R0.4 C=C(C)CCOC 34a_100138415774_100000730704 [2,0,0,0,0,0|2,0,0]=4 2360 B6R0.4 C=C(C)CCO[13CH3] 34a_100000764851_200025704644 [2,0,0,0,0,0|2,0,0]=4 2361 B6R0.4 C=C(C)CCSC 62a_100000730704_200000210301 [2,0,0,0,0,0|2,0,0]=4 2362 B6R0.4 C=C(C)CCSC 62a_200000210301_100000730704 [2,0,0,0,0,0|2,0,0]=4 2363 B6R0.4 C=C(C)CCS[13CH3] 62a_100000730704_200025704644 [2,0,0,0,0,0|2,0,0]=4 2364 B6R0.4 C=C(C)CCS[13CH3] 62a_200025704644_100000730704 [2,0,0,0,0,0|2,0,0]=4 2365 B6R0.4 C=C(C)CNCC 2230a_100015525214_100000748629 [2,0,0,0,0,0|2,0,0]=4 2366 B6R0.4 C=C(C)COCC 34a_100000210245_100000210202 [2,0,0,0,0,0|2,0,0]=4 2367 B6R0.4 C=C(C)COCC 34a_100121572206_100000748629 [2,0,0,0,0,0|2,0,0]=4 2368 B6R0.4 C=C(C)CSCC 62a_100000210202_100000211660 [2,0,0,0,0,0|2,0,0]=4 2369 B6R0.4 C=C(C)CSCC 62a_100000748629_100000210202 [2,0,0,0,0,0|2,0,0]=4 2370 B6R0.4 C=CC=CC(=O)C 1458a_100016291481_200000210301 [2,0,0,0,0,0|0,0,2]=4 2371 B6R0.4 C=CC=CC(=O)[13CH3] 1458a_100016291481_200025704644 [2,0,0,0,0,0|0,0,2]=4 2372 B6R0.4 C=CCCC(=O)C 1458a_100000070787_100000754431 [2,0,0,0,0,0|0,0,2]=4 2373 B6R0.4 C=CCCC(=O)C 1458a_100000749702_200000210301 [2,0,0,0,0,0|0,0,2]=4 2374 B6R0.4 C=CCCC(=O)[13CH3] 1458a_100000749702_200025704644 [2,0,0,0,0,0|0,0,2]=4 2375 B6R0.4 CC#CCC(=O)C 1458a_100000070787_100000748600 [2,0,0,0,0,0|0,0,2]=4 2376 B6R0.4 CC(=CCN[13CH3])C 34a_100000718196_200025704644 [2,0,0,0,0,0|2,0,0]=4 2377 B6R0.4 CC(=CCO[13CH3])C 34a_100000753907_200025704644 [2,0,0,0,0,0|2,0,0]=4 2378 B6R0.4 CC(=CCS[13CH3])C 62a_100000761012_200025704644 [2,0,0,0,0,0|2,0,0]=4 2379 B6R0.4 CC(=CCS[13CH3])C 62a_200025704644_100000761012 [2,0,0,0,0,0|2,0,0]=4 2380 B6R0.4 CC(=O)CCC#N 1458a_100000070787_100011215226 [2,0,0,0,0,0|1,0,1]=4 2381 B6R0.4 CC(=O)CCC#N 1458a_100011934036_200000210301 [2,0,0,0,0,0|1,0,1]=4 2382 B6R0.4 CC(=O)CCCF 1458a_100000070787_100011934791 [2,0,0,0,0,0|1,0,0]=3 2383 B6R0.4 CC(=O)CCCO 1458a_100000070787_100011215043 [2,0,0,0,0,0|1,0,0]=3 2384 B6R0.4 CC(=O)CCO[13CH3] 34a_100000759926_200025704644 [2,0,0,0,0,0|1,0,0]=3 2385 B6R0.4 CC(=O)CCO[13CH3] 7a_100000759926_200025704644 [2,0,0,0,0,0|1,0,0]=3 2386 B6R0.4 CC(=O)CCS[13CH3] 62a_100000053229_200025704644 [2,0,0,0,0,0|1,0,0]=3 2387 B6R0.4 CC(=O)CCS[13CH3] 62a_200025704644_100000053229 [2,0,0,0,0,0|1,0,0]=3 2388 B6R0.4 CC(=O)COCF 34a_100000211253_100015361967 [2,0,0,0,0,0|2,0,0]=4 2389 B6R0.4 CC(=O)NCCF 11a_100000724931_100015343762 [2,0,0,0,0,0|2,0,0]=4 2390 B6R0.4 CC(=O)NCCF 1626a_100000724931_100015343762 [2,0,0,0,0,0|2,0,0]=4 2391 B6R0.4 CC(=O)NCCF 240690a_100000724931_100015343762 [2,0,0,0,0,0|2,0,0]=4 2392 B6R0.4 CC(=O)NCCF 527a_100000724931_100103153847 [2,0,0,0,0,0|2,0,0]=4 2393 B6R0.4 CC(=O)NCCO 240690a_100000210304_100015343762 [2,0,0,0,0,0|2,0,0]=4 2394 B6R0.4 CC(=O)NCCO 527a_100000210304_100103153847 [2,0,0,0,0,0|2,0,0]=4 2395 B6R0.4 CC(=O)OCS[13CH3] 62a_100000076356_200025704644 [2,0,0,0,0,0|2,0,0]=4 2396 B6R0.4 CC(=O)OCS[13CH3] 62a_200025704644_100000076356 [2,0,0,0,0,0|2,0,0]=4 2397 B6R0.4 CC=CCC(=O)C 1458a_100000070787_100000070051 [2,0,0,0,0,0|0,0,2]=4 2398 B6R0.4 CC=CCC(=O)C 1458a_100121576822_200000210301 [2,0,0,0,0,0|0,0,2]=4 2399 B6R0.4 CC=CCC(=O)[13CH3] 1458a_100121576822_200025704644 [2,0,0,0,0,0|0,0,2]=4 2400 B6R0.4 CCC#CC(=O)C 1458a_100011827653_200000210301 [2,0,0,0,0,0|0,0,2]=4 2401 B6R0.4 CCC#CC(=O)[13CH3] 1458a_100011827653_200025704644 [2,0,0,0,0,0|0,0,2]=4 2402 B6R0.4 CCC=CC(=O)C 1458a_100000212282_200000210301 [2,0,0,0,0,0|0,0,0]=2 2403 B6R0.4 CCC=CC(=O)[13CH3] 1458a_100000212282_200025704644 [2,0,0,0,0,0|0,0,0]=2 2404 B6R0.4 CCCCC(=O)C 1458a_100000070787_100000210211 [2,0,0,0,0,0|0,0,0]=2 2405 B6R0.4 CCCCC(=O)C 1458a_100000210183_200000210301 [2,0,0,0,0,0|0,0,0]=2 2406 B6R0.4 CCCCC(=O)[13CH3] 1458a_100000210183_200025704644 [2,0,0,0,0,0|0,0,0]=2 2407 B6R0.4 CCCCN(C)C 2230a_100000207549_200000210301 [2,0,0,0,0,0|2,0,0]=4 2408 B6R0.4 CCCCN(C)C 2230a_100102631434_100000210211 [2,0,0,0,0,0|2,0,0]=4 2409 B6R0.4 CCCCN(C)C 269982a_100000207549_200000210301 [2,0,0,0,0,0|2,0,0]=4 2410 B6R0.4 CCCCN(C)C 269982a_100102631434_100000210211 [2,0,0,0,0,0|2,0,0]=4 2411 B6R0.4 CCCCN(C)[13CH3] 2230a_100000207549_200025704644 [2,0,0,0,0,0|2,0,0]=4 2412 B6R0.4 CCCCN(C)[13CH3] 269982a_100000207549_200025704644 [2,0,0,0,0,0|2,0,0]=4 2413 B6R0.4 CCCNC(=O)C 11a_100020643023_100015343762 [2,0,0,0,0,0|1,0,0]=3 2414 B6R0.4 CCCNC(=O)C 1626a_100020643023_100015343762 [2,0,0,0,0,0|1,0,0]=3 2415 B6R0.4 CCCNC(=O)C 240690a_100020643023_100015343762 [2,0,0,0,0,0|1,0,0]=3 2416 B6R0.4 CCCNC(=O)C 527a_100020643023_100103153847 [2,0,0,0,0,0|1,0,0]=3 2417 B6R0.4 CCNCC(=O)N 2230a_100000711301_100000210202 [2,0,0,0,0,0|2,0,0]=4 2418 B6R0.4 CCNCC(=O)N 2230a_100015525214_100000747473 [2,0,0,0,0,0|2,0,0]=4 2419 B6R0.4 CCNCC(=O)O 269956a_100016091260_100000210202 [2,0,0,0,0,0|2,0,0]=4 2420 B6R0.4 CCNNC(=O)C 22a_100000756455_100000070787 [2,0,0,0,0,0|2,0,0]=4 2421 B6R0.4 CCOCC(=O)C 1458a_100000211967_200000210301 [2,0,0,0,0,0|1,0,0]=3 2422 B6R0.4 CCOCC(=O)C 34a_100000211253_100000210202 [2,0,0,0,0,0|1,0,0]=3 2423 B6R0.4 CCOCC(=O)N 34a_100121572206_100000187820 [2,0,0,0,0,0|2,0,0]=4 2424 B6R0.4 CCOCC(=O)[13CH3] 1458a_100000211967_200025704644 [2,0,0,0,0,0|1,0,0]=3 2425 B6R0.4 CCOCC(=O)[O-] 34a_100121572206_100020667443 [2,0,0,0,0,0|2,0,0]=4 2426 B6R0.4 CCSCC(=O)C 1458a_100000230394_200000210301 [2,0,0,0,0,0|1,0,0]=3 2427 B6R0.4 CCSCC(=O)N 62a_100000210202_100000747473 [2,0,0,0,0,0|2,0,0]=4 2428 B6R0.4 CCSCC(=O)N 62a_100000747473_100000210202 [2,0,0,0,0,0|2,0,0]=4 2429 B6R0.4 CCSCC(=O)[13CH3] 1458a_100000230394_200025704644 [2,0,0,0,0,0|1,0,0]=3 2430 B6R0.4 CCSCC(=O)[O-] 62a_100000210202_100020667443 [2,0,0,0,0,0|2,0,0]=4 2431 B6R0.4 CCSCC(=O)[O-] 62a_100020667443_100000210202 [2,0,0,0,0,0|2,0,0]=4 2432 B6R0.4 CNCC=C(C)C 2230a_106832991635_100000761012 [2,0,0,0,0,0|2,0,0]=4 2433 B6R0.4 CNCC=C(C)C 34a_100000718196_200000210301 [2,0,0,0,0,0|2,0,0]=4 2434 B6R0.4 CNCC=C(C)C 34a_100102657272_100000761012 [2,0,0,0,0,0|2,0,0]=4 2435 B6R0.4 CNCC=C(C)C 7a_106832991635_100000761012 [2,0,0,0,0,0|2,0,0]=4 2436 B6R0.4 CNCCC(=O)C 7a_106832991635_100000053229 [2,0,0,0,0,0|1,0,0]=3 2437 B6R0.4 CNCCC(=O)N 2230a_106832991635_100000744528 [2,0,0,0,0,0|2,0,0]=4 2438 B6R0.4 CNCCC(=O)N 34a_100102657272_100000731001 [2,0,0,0,0,0|2,0,0]=4 2439 B6R0.4 CNCCC(=O)N 7a_106832991635_100000744528 [2,0,0,0,0,0|2,0,0]=4 2440 B6R0.4 CNCOC(=O)C 34a_100102657272_100009813279 [2,0,0,0,0,0|2,0,0]=4 2441 B6R0.4 COC=CC(=O)C 1458a_100016268678_200000210301 [2,0,0,0,0,0|1,0,0]=3 2442 B6R0.4 COC=CC(=O)[13CH3] 1458a_100016268678_200025704644 [2,0,0,0,0,0|1,0,0]=3 2443 B6R0.4 COCC=C(C)C 34a_100000753907_200000210301 [2,0,0,0,0,0|2,0,0]=4 2444 B6R0.4 COCC=C(C)C 34a_100138415774_100000761012 [2,0,0,0,0,0|2,0,0]=4 2445 B6R0.4 COCCC(=O)C 1458a_100000070787_100000233755 [2,0,0,0,0,0|1,0,0]=3 2446 B6R0.4 COCCC(=O)C 1458a_100000749529_200000210301 [2,0,0,0,0,0|1,0,0]=3 2447 B6R0.4 COCCC(=O)C 34a_100000759926_200000210301 [2,0,0,0,0,0|1,0,0]=3 2448 B6R0.4 COCCC(=O)C 7a_100000759926_200000210301 [2,0,0,0,0,0|1,0,0]=3 2449 B6R0.4 COCCC(=O)N 34a_100000757172_200000210301 [2,0,0,0,0,0|2,0,0]=4 2450 B6R0.4 COCCC(=O)N 34a_100138415774_100000731001 [2,0,0,0,0,0|2,0,0]=4 2451 B6R0.4 COCCC(=O)N 7a_100000757172_200000210301 [2,0,0,0,0,0|2,0,0]=4 2452 B6R0.4 COCCC(=O)[13CH3] 1458a_100000749529_200025704644 [2,0,0,0,0,0|1,0,0]=3 2453 B6R0.4 COCOC(=O)C 34a_100138415774_100009813279 [2,0,0,0,0,0|2,0,0]=4 2454 B6R0.4 CSCC=C(C)C 62a_100000761012_200000210301 [2,0,0,0,0,0|2,0,0]=4 2455 B6R0.4 CSCC=C(C)C 62a_200000210301_100000761012 [2,0,0,0,0,0|2,0,0]=4 2456 B6R0.4 CSCCC(=O)C 1458a_100000070787_100000751147 [2,0,0,0,0,0|1,0,0]=3 2457 B6R0.4 CSCCC(=O)C 1458a_100000174002_200000210301 [2,0,0,0,0,0|1,0,0]=3 2458 B6R0.4 CSCCC(=O)C 62a_100000053229_200000210301 [2,0,0,0,0,0|1,0,0]=3 2459 B6R0.4 CSCCC(=O)C 62a_200000210301_100000053229 [2,0,0,0,0,0|1,0,0]=3 2460 B6R0.4 CSCCC(=O)N 62a_100000744528_200000210301 [2,0,0,0,0,0|2,0,0]=4 2461 B6R0.4 CSCCC(=O)N 62a_200000210301_100000744528 [2,0,0,0,0,0|2,0,0]=4 2462 B6R0.4 CSCCC(=O)[13CH3] 1458a_100000174002_200025704644 [2,0,0,0,0,0|1,0,0]=3 2463 B6R0.4 CSCOC(=O)C 62a_100000076356_200000210301 [2,0,0,0,0,0|2,0,0]=4 2464 B6R0.4 CSCOC(=O)C 62a_200000210301_100000076356 [2,0,0,0,0,0|2,0,0]=4 2465 B6R0.4 [13CH3]C(=O)CCC#N 1458a_100011934036_200025704644 [2,0,0,0,0,0|1,0,1]=4 2466 B6R0.4 [13CH3]OCCC(=O)N 34a_100000757172_200025704644 [2,0,0,0,0,0|2,0,0]=4 2467 B6R0.4 [13CH3]OCCC(=O)N 7a_100000757172_200025704644 [2,0,0,0,0,0|2,0,0]=4 2468 B6R0.4 [13CH3]SCCC(=O)N 62a_100000744528_200025704644 [2,0,0,0,0,0|2,0,0]=4 2469 B6R0.4 [13CH3]SCCC(=O)N 62a_200025704644_100000744528 [2,0,0,0,0,0|2,0,0]=4 2470 B8R0.1 C#CCCC(=O)C=CC 1458a_100000210699_100000753159 [1,1,0,0,0,0|0,0,2]=4 2471 B8R0.1 C/C=C/C(C)OCCC 34a_200102604097_100000210303 [1,1,0,0,0,0|1,0,1]=4 2472 B8R0.1 C/C=C/CC(=O)CCC 1458a_100000211992_100102629194 [1,1,0,0,0,0|0,0,2]=4 2473 B8R0.1 C/C=C/CN(C)CCC 269982a_100000747261_100102629194 [1,1,0,0,0,0|1,0,1]=4 2474 B8R0.1 C=CC=CC(=O)CCC 1458a_100016291481_100000210303 [1,1,0,0,0,0|0,0,2]=4 2475 B8R0.1 C=CCC(=O)CCCC 1458a_100000210183_100000210623 [1,1,0,0,0,0|0,0,2]=4 2476 B8R0.1 C=CCC(=O)CCCC 1458a_100000210193_100000210211 [1,1,0,0,0,0|0,0,2]=4 2477 B8R0.1 C=CCCC(=O)C=CC 1458a_100000210699_100000754431 [1,1,0,0,0,0|0,0,2]=4 2478 B8R0.1 CC#CC(=O)CCCC 1458a_100000763181_100000210211 [1,1,0,0,0,0|0,0,2]=4 2479 B8R0.1 CC#CCC(=O)C=CC 1458a_100000210699_100000748600 [1,1,0,0,0,0|0,0,2]=4 2480 B8R0.1 CC=CC(=NNCC)C 4a_100000756455_100011218416 [1,1,0,0,0,0|2,0,0]=4 2481 B8R0.1 CC=CC(=O)C/C=C/C 1458a_100000210699_100102629194 [1,1,0,0,0,0|0,0,2]=4 2482 B8R0.1 CC=CC(=O)CCC#N 1458a_100000210699_100011215226 [1,1,0,0,0,0|1,0,1]=4 2483 B8R0.1 CC=CC(=O)CCCC 1458a_100000210699_100000210211 [1,1,0,0,0,0|0,0,0]=2 2484 B8R0.1 CC=CC(=O)CCCF 1458a_100000210699_100011934791 [1,1,0,0,0,0|1,0,0]=3 2485 B8R0.1 CC=CC(=O)CCCO 1458a_100000210699_100011215043 [1,1,0,0,0,0|1,0,0]=3 2486 B8R0.1 CC=CC(=O)CCOC 1458a_100000210699_100000233755 [1,1,0,0,0,0|1,0,0]=3 2487 B8R0.1 CC=CC(=O)CCSC 1458a_100000210699_100000751147 [1,1,0,0,0,0|1,0,0]=3 2488 B8R0.1 CC=CC(=O)NCCC 11a_100020643023_100000210699 [1,1,0,0,0,0|1,0,0]=3 2489 B8R0.1 CC=CC(=O)NCCC 1626a_100020643023_100000210699 [1,1,0,0,0,0|1,0,0]=3 2490 B8R0.1 CC=CC(=O)NCCC 240690a_100020643023_100000210699 [1,1,0,0,0,0|1,0,0]=3 2491 B8R0.1 CC=CC(=O)NCCF 11a_100000724931_100000210699 [1,1,0,0,0,0|2,0,0]=4 2492 B8R0.1 CC=CC(=O)NCCF 1626a_100000724931_100000210699 [1,1,0,0,0,0|2,0,0]=4 2493 B8R0.1 CC=CC(=O)NCCF 240690a_100000724931_100000210699 [1,1,0,0,0,0|2,0,0]=4 2494 B8R0.1 CC=CC(=O)NCCO 240690a_100000210304_100000210699 [1,1,0,0,0,0|2,0,0]=4 2495 B8R0.1 CC=CC(=O)NNCC 22a_100000756455_100000210699 [1,1,0,0,0,0|2,0,0]=4 2496 B8R0.1 CC=CCC(=O)C=CC 1458a_100000210699_100000070051 [1,1,0,0,0,0|0,0,2]=4 2497 B8R0.1 CC=CCC(=O)CCC 1458a_100000211992_100000070051 [1,1,0,0,0,0|0,0,2]=4 2498 B8R0.1 CC=CCC(=O)CCC 1458a_100121576822_100000210303 [1,1,0,0,0,0|0,0,2]=4 2499 B8R0.1 CC=CCN(C)CCC 2230a_100000747261_100000070051 [1,1,0,0,0,0|1,0,1]=4 2500 B8R0.1 CCC=CC(=O)CCC 1458a_100000212282_100000210303 [1,1,0,0,0,0|0,0,2]=4 2501 B8R0.1 CCCC(=O)C=COC 1458a_100016268678_100000210303 [1,1,0,0,0,0|1,0,1]=4 2502 B8R0.1 CCCC(C)NCC=O 2230a_100000741246_200015260668 [1,1,0,0,0,0|1,0,1]=4 2503 B8R0.1 CCCC(C)OCC=O 34a_100000764384_200009817547 [1,1,0,0,0,0|1,0,1]=4 2504 B8R0.1 CCCC(C)OCC=O 7a_100000764384_200015260668 [1,1,0,0,0,0|1,0,1]=4 2505 B8R0.1 CCCC(C)SCC=O 62a_100000766640_200015260668 [1,1,0,0,0,0|1,0,1]=4 2506 B8R0.1 CCCC(C)SCC=O 62a_200015260668_100000766640 [1,1,0,0,0,0|1,0,1]=4 2507 B8R0.1 CCCCC(=O)C=CBr 1458a_100016273825_100000210211 [1,1,0,0,0,0|1,0,0]=3 2508 B8R0.1 CCCCC(=O)C=CCl 1458a_200016279998_100000210211 [1,1,0,0,0,0|1,0,0]=3 2509 B8R0.1 CCCCC(=O)C=CI 1458a_100016256311_100000210211 [1,1,0,0,0,0|1,0,0]=3 2510 B8R0.1 CCCCC(=O)CCC 1458a_100000210183_100000210303 [1,1,0,0,0,0|0,0,2]=4 2511 B8R0.1 CCCCC(=O)CCC 1458a_100000211992_100000210211 [1,1,0,0,0,0|0,0,2]=4 2512 B8R0.1 CCCCC(=O)COC 1458a_100000210968_100000210211 [1,1,0,0,0,0|1,0,1]=4 2513 B8R0.1 CCCCC(=O)CSC 1458a_100000184570_100000210211 [1,1,0,0,0,0|1,0,1]=4 2514 B8R0.1 CCCCC(=O)NCC 11a_100015525214_100000210183 [1,1,0,0,0,0|1,0,1]=4 2515 B8R0.1 CCCCC(=O)NCC 240690a_100015525214_100000210183 [1,1,0,0,0,0|1,0,1]=4 2516 B8R0.1 CCCCC(=O)NCC 527a_100015525214_100000210183 [1,1,0,0,0,0|1,0,1]=4 2517 B8R0.1 CCCCC(=O)NNC 22a_100016993582_100000210183 [1,1,0,0,0,0|2,0,0]=4 2518 B8R0.1 CCCCN(C)CC=O 2230a_100000207549_200015260668 [1,1,0,0,0,0|1,0,1]=4 2519 B8R0.1 CCCCN(C)CC=O 269982a_100000207549_200015260668 [1,1,0,0,0,0|1,0,1]=4 2520 B8R0.1 CCCNC(=O)C=CBr 1626a_100020643023_100016273825 [1,1,0,0,0,0|2,0,0]=4 2521 B8R0.1 CCCNC(=O)C=CBr 240690a_100020643023_100016273825 [1,1,0,0,0,0|2,0,0]=4 2522 B8R0.1 CCCNC(=O)C=CCl 11a_100020643023_200016279998 [1,1,0,0,0,0|2,0,0]=4 2523 B8R0.1 CCCNC(=O)C=CCl 1626a_100020643023_200016279998 [1,1,0,0,0,0|2,0,0]=4 2524 B8R0.1 CCCNC(=O)C=CCl 240690a_100020643023_200016279998 [1,1,0,0,0,0|2,0,0]=4 2525 B8R0.1 CCCNC(=O)C=CI 1626a_100020643023_100016256311 [1,1,0,0,0,0|2,0,0]=4 2526 B8R0.1 COCCC(=O)C=CBr 1458a_100016273825_100000233755 [1,1,0,0,0,0|2,0,0]=4 2527 B8R0.1 COCCC(=O)C=CCl 1458a_200016279998_100000233755 [1,1,0,0,0,0|2,0,0]=4 2528 B8R0.1 COCCC(=O)C=CI 1458a_100016256311_100000233755 [1,1,0,0,0,0|2,0,0]=4 2529 B8R0.1 CSCCC(=O)C=CBr 1458a_100016273825_100000751147 [1,1,0,0,0,0|2,0,0]=4 2530 B8R0.1 CSCCC(=O)C=CCl 1458a_200016279998_100000751147 [1,1,0,0,0,0|2,0,0]=4 2531 B8R0.1 CSCCC(=O)C=CI 1458a_100016256311_100000751147 [1,1,0,0,0,0|2,0,0]=4 2532 B8R0.1 O=C(C=CBr)CCCF 1458a_100016273825_100011934791 [1,1,0,0,0,0|2,0,0]=4 2533 B8R0.1 O=C(C=CBr)CCCO 1458a_100016273825_100011215043 [1,1,0,0,0,0|2,0,0]=4 2534 B8R0.1 O=C(C=CCl)CCCF 1458a_200016279998_100011934791 [1,1,0,0,0,0|2,0,0]=4 2535 B8R0.1 O=C(C=CCl)CCCO 1458a_200016279998_100011215043 [1,1,0,0,0,0|2,0,0]=4 2536 B8R0.1 O=C(C=CI)CCCF 1458a_100016256311_100011934791 [1,1,0,0,0,0|2,0,0]=4 2537 B8R0.1 O=C(C=CI)CCCO 1458a_100016256311_100011215043 [1,1,0,0,0,0|2,0,0]=4 2538 B8R0.4 C/C=C/C=C/COCC 34a_100016283227_100000210202 [1,1,0,0,0,0|0,0,1]=3 2539 B8R0.4 C/C=C/C=C/COCF 34a_100016283227_100015361967 [1,1,0,0,0,0|1,0,1]=4 2540 B8R0.4 C/C=C/CCOCCC 34a_100016278192_100000210303 [1,1,0,0,0,0|0,0,1]=3 2541 B8R0.4 C/C=C/CCOCCF 34a_100016278192_100011217306 [1,1,0,0,0,0|1,0,1]=4 2542 B8R0.4 C/C=C/CCOCCO 34a_100016278192_100000211926 [1,1,0,0,0,0|1,0,1]=4 2543 B8R0.4 C/C=C/CCOCSC 34a_100016278192_100011218213 [1,1,0,0,0,0|1,0,1]=4 2544 B8R0.4 C/C=C/CNCCCC 7a_106832991798_100102629194 [1,1,0,0,0,0|0,0,1]=3 2545 B8R0.4 C/C=C/CNCCCF 34a_100015189416_100102629194 [1,1,0,0,0,0|1,0,1]=4 2546 B8R0.4 C/C=C/COCCCBr 34a_100011217188_100102629194 [1,1,0,0,0,0|1,0,1]=4 2547 B8R0.4 C/C=C/COCCCC 34a_100000210227_100102629194 [1,1,0,0,0,0|0,0,1]=3 2548 B8R0.4 C/C=C/COCCCC 34a_100016270725_100000210210 [1,1,0,0,0,0|0,0,1]=3 2549 B8R0.4 C/C=C/COCCCC 7a_100000210227_100102629194 [1,1,0,0,0,0|0,0,1]=3 2550 B8R0.4 C/C=C/COCCCCl 34a_100000230001_100102629194 [1,1,0,0,0,0|1,0,1]=4 2551 B8R0.4 C/C=C/COCCCF 34a_100000759539_100102629194 [1,1,0,0,0,0|1,0,1]=4 2552 B8R0.4 C/C=C/COCCCF 34a_100016270725_100011934791 [1,1,0,0,0,0|1,0,1]=4 2553 B8R0.4 C/C=C/COCCCN 34a_100000182051_100102629194 [1,1,0,0,0,0|1,0,1]=4 2554 B8R0.4 C/C=C/COCCCO 34a_100016270725_100000230001 [1,1,0,0,0,0|1,0,1]=4 2555 B8R0.4 C/C=C/COCCOC 34a_100000210237_100102629194 [1,1,0,0,0,0|1,0,1]=4 2556 B8R0.4 C/C=C/COCCOC 34a_100016270725_100011201679 [1,1,0,0,0,0|1,0,1]=4 2557 B8R0.4 C/C=C/COCCSC 34a_100000230434_100102629194 [1,1,0,0,0,0|1,0,1]=4 2558 B8R0.4 C/C=C/COCCSC 34a_100016270725_100000212216 [1,1,0,0,0,0|1,0,1]=4 2559 B8R0.4 C/C=C/COCCSC 7a_100000230434_100102629194 [1,1,0,0,0,0|1,0,1]=4 2560 B8R0.4 C/C=C/CSCCCC 62a_100000210211_100102629194 [1,1,0,0,0,0|0,0,1]=3 2561 B8R0.4 C/C=C/CSCCCC 62a_100102629194_100000210210 [1,1,0,0,0,0|0,0,1]=3 2562 B8R0.4 C/C=C/CSCCCF 62a_100011934791_100102629194 [1,1,0,0,0,0|1,0,1]=4 2563 B8R0.4 C/C=C/CSCCCF 62a_100102629194_100011934791 [1,1,0,0,0,0|1,0,1]=4 2564 B8R0.4 C/C=C/CSCCCO 62a_100011215043_100102629194 [1,1,0,0,0,0|1,0,1]=4 2565 B8R0.4 C/C=C/CSCCCO 62a_100102629194_100011215043 [1,1,0,0,0,0|1,0,1]=4 2566 B8R0.4 C/C=C/CSCCOC 62a_100000233755_100102629194 [1,1,0,0,0,0|1,0,1]=4 2567 B8R0.4 C/C=C/CSCCOC 62a_100102629194_100000233755 [1,1,0,0,0,0|1,0,1]=4 2568 B8R0.4 C/C=C/CSCCSC 62a_100000212216_100102629194 [1,1,0,0,0,0|1,0,1]=4 2569 B8R0.4 C/C=C/CSCCSC 62a_100102629194_100000751147 [1,1,0,0,0,0|1,0,1]=4 2570 B8R0.4 C/C=C/CSCOCC 62a_100000739092_100102629194 [1,1,0,0,0,0|1,0,1]=4 2571 B8R0.4 C/C=C/CSCOCC 62a_100102629194_100000739092 [1,1,0,0,0,0|1,0,1]=4 2572 B8R0.4 CC/C=C/CCCOC 34a_100016287902_200000210301 [1,1,0,0,0,0|0,0,1]=3 2573 B8R0.4 CC/C=C/CCCOC 7a_100016287902_200000210301 [1,1,0,0,0,0|0,0,1]=3 2574 B8R0.4 CC/C=C/CCCO[13CH3] 34a_100016287902_200025704644 [1,1,0,0,0,0|0,0,1]=3 2575 B8R0.4 CC/C=C/CCCO[13CH3] 7a_100016287902_200025704644 [1,1,0,0,0,0|0,0,1]=3 2576 B8R0.4 CC/C=C\CCNCC 2230a_100015525214_100015370543 [1,1,0,0,0,0|0,0,1]=3 2577 B8R0.4 CC/C=C\CCOCC 34a_100016288707_100000210202 [1,1,0,0,0,0|0,0,1]=3 2578 B8R0.4 CC/C=C\CCOCC 34a_100121572206_100015370543 [1,1,0,0,0,0|0,0,1]=3 2579 B8R0.4 CC/C=C\CCOCC 7a_100016288707_100000210202 [1,1,0,0,0,0|0,0,1]=3 2580 B8R0.4 CC/C=C\CCOCF 34a_100016288707_100015361967 [1,1,0,0,0,0|1,0,1]=4 2581 B8R0.4 CC/C=C\CCOCF 7a_100016288707_100015361967 [1,1,0,0,0,0|1,0,1]=4 2582 B8R0.4 CC/C=C\CCSCC 62a_100000210202_100015370543 [1,1,0,0,0,0|0,0,1]=3 2583 B8R0.4 CC/C=C\CCSCC 62a_100015370543_100000210202 [1,1,0,0,0,0|0,0,1]=3 2584 B8R0.4 CC/C=C\CCSCF 62a_100015361967_100015370543 [1,1,0,0,0,0|1,0,1]=4 2585 B8R0.4 CC/C=C\CCSCF 62a_100015370543_100015361967 [1,1,0,0,0,0|1,0,1]=4 2586 B8R0.4 CC/C=C\CNCCF 34a_100000724931_100103147603 [1,1,0,0,0,0|1,0,1]=4 2587 B8R0.4 CC/C=C\CNCCO 2230a_100016997473_100103147603 [1,1,0,0,0,0|1,0,1]=4 2588 B8R0.4 CC/C=C\CNCCO 34a_100016990907_100103147603 [1,1,0,0,0,0|1,0,1]=4 2589 B8R0.4 CC/C=C\COCCBr 34a_100000211926_100103147603 [1,1,0,0,0,0|1,0,1]=4 2590 B8R0.4 CC/C=C\COCCC 34a_100000210258_100103147603 [1,1,0,0,0,0|0,0,1]=3 2591 B8R0.4 CC/C=C\COCCC 34a_100016268518_100000210303 [1,1,0,0,0,0|0,0,1]=3 2592 B8R0.4 CC/C=C\COCCF 34a_100016268518_100011217306 [1,1,0,0,0,0|1,0,1]=4 2593 B8R0.4 CC/C=C\COCCN 34a_100000210304_100103147603 [1,1,0,0,0,0|1,0,1]=4 2594 B8R0.4 CC/C=C\COCCO 34a_100016268518_100000211926 [1,1,0,0,0,0|1,0,1]=4 2595 B8R0.4 CC/C=C\COCSC 34a_100016268518_100011218213 [1,1,0,0,0,0|1,0,1]=4 2596 B8R0.4 CC/C=C\CSCCC 62a_100000210303_100103147603 [1,1,0,0,0,0|0,0,1]=3 2597 B8R0.4 CC/C=C\CSCCC 62a_100103147603_100000210303 [1,1,0,0,0,0|0,0,1]=3 2598 B8R0.4 CC/C=C\CSCCF 62a_100011217306_100103147603 [1,1,0,0,0,0|1,0,1]=4 2599 B8R0.4 CC/C=C\CSCCF 62a_100103147603_100011217306 [1,1,0,0,0,0|1,0,1]=4 2600 B8R0.4 CC/C=C\CSCCO 62a_100000211926_100103147603 [1,1,0,0,0,0|1,0,1]=4 2601 B8R0.4 CC/C=C\CSCCO 62a_100103147603_100000211926 [1,1,0,0,0,0|1,0,1]=4 2602 B8R0.4 CC/C=C\CSCOC 62a_100000766300_100103147603 [1,1,0,0,0,0|1,0,1]=4 2603 B8R0.4 CC/C=C\CSCOC 62a_100103147603_100000766300 [1,1,0,0,0,0|1,0,1]=4 2604 B8R0.4 CC/C=C\CSCSC 62a_100011218213_100103147603 [1,1,0,0,0,0|1,0,1]=4 2605 B8R0.4 CC/C=C\CSCSC 62a_100103147603_100011218213 [1,1,0,0,0,0|1,0,1]=4 2606 B8R0.4 CC=C=CCCOCC 34a_100011020354_100000210202 [1,1,0,0,0,0|0,0,1]=3 2607 B8R0.4 CC=C=CCCOCF 34a_100011020354_100015361967 [1,1,0,0,0,0|1,0,1]=4 2608 B8R0.4 CC=CCCCOCC 34a_100020645299_100000210202 [1,1,0,0,0,0|0,0,1]=3 2609 B8R0.4 CC=CCCCOCF 34a_100020645299_100015361967 [1,1,0,0,0,0|1,0,1]=4 2610 B8R0.4 CC=CCNCCCC 2230a_100000102301_100000070051 [1,1,0,0,0,0|0,0,1]=3 2611 B8R0.4 CC=CCNCCCC 7a_106832991798_100000070051 [1,1,0,0,0,0|0,0,1]=3 2612 B8R0.4 CC=CCNCCCF 2230a_100015189416_100000070051 [1,1,0,0,0,0|1,0,1]=4 2613 B8R0.4 CC=CCNCCCF 34a_100015189416_100000070051 [1,1,0,0,0,0|1,0,1]=4 2614 B8R0.4 CC=CCNCCOC 2230a_100000209980_100000070051 [1,1,0,0,0,0|1,0,1]=4 2615 B8R0.4 CC=CCNCCSC 2230a_100020590264_100000070051 [1,1,0,0,0,0|1,0,1]=4 2616 B8R0.4 CC=CCOCCCBr 34a_100011217188_100000070051 [1,1,0,0,0,0|1,0,1]=4 2617 B8R0.4 CC=CCOCCCC 34a_100000210227_100000070051 [1,1,0,0,0,0|0,0,1]=3 2618 B8R0.4 CC=CCOCCCC 7a_100000210227_100000070051 [1,1,0,0,0,0|0,0,1]=3 2619 B8R0.4 CC=CCOCCCCl 34a_100000230001_100000070051 [1,1,0,0,0,0|1,0,1]=4 2620 B8R0.4 CC=CCOCCCF 34a_100000759539_100000070051 [1,1,0,0,0,0|1,0,1]=4 2621 B8R0.4 CC=CCOCCCN 34a_100000182051_100000070051 [1,1,0,0,0,0|1,0,1]=4 2622 B8R0.4 CC=CCOCCOC 34a_100000210237_100000070051 [1,1,0,0,0,0|1,0,1]=4 2623 B8R0.4 CC=CCOCCSC 34a_100000230434_100000070051 [1,1,0,0,0,0|1,0,1]=4 2624 B8R0.4 CC=CCOCCSC 7a_100000230434_100000070051 [1,1,0,0,0,0|1,0,1]=4 2625 B8R0.4 CC=CCSCCCC 62a_100000070051_100000210210 [1,1,0,0,0,0|0,0,1]=3 2626 B8R0.4 CC=CCSCCCC 62a_100000210211_100000070051 [1,1,0,0,0,0|0,0,1]=3 2627 B8R0.4 CC=CCSCCCF 62a_100000070051_100011934791 [1,1,0,0,0,0|1,0,1]=4 2628 B8R0.4 CC=CCSCCCF 62a_100011934791_100000070051 [1,1,0,0,0,0|1,0,1]=4 2629 B8R0.4 CC=CCSCCCO 62a_100000070051_100011215043 [1,1,0,0,0,0|1,0,1]=4 2630 B8R0.4 CC=CCSCCCO 62a_100011215043_100000070051 [1,1,0,0,0,0|1,0,1]=4 2631 B8R0.4 CC=CCSCCOC 62a_100000070051_100000233755 [1,1,0,0,0,0|1,0,1]=4 2632 B8R0.4 CC=CCSCCOC 62a_100000233755_100000070051 [1,1,0,0,0,0|1,0,1]=4 2633 B8R0.4 CC=CCSCCSC 62a_100000070051_100000751147 [1,1,0,0,0,0|1,0,1]=4 2634 B8R0.4 CC=CCSCCSC 62a_100000212216_100000070051 [1,1,0,0,0,0|1,0,1]=4 2635 B8R0.4 CC=CCSCOCC 62a_100000070051_100000739092 [1,1,0,0,0,0|1,0,1]=4 2636 B8R0.4 CC=CCSCOCC 62a_100000739092_100000070051 [1,1,0,0,0,0|1,0,1]=4 2637 B8R0.4 CC=NNCCCCC 4a_100000694160_200000210099 [1,1,0,0,0,0|1,0,1]=4 2638 B8R0.4 CC=NNCCOCC 4a_100000732670_200000210099 [1,1,0,0,0,0|2,0,0]=4 2639 B8R0.4 CCC/C=C/COCC 34a_100016278788_100000210202 [1,1,0,0,0,0|1,0,1]=4 2640 B8R0.4 CCC/C=C/COCC 7a_100016278788_100000210202 [1,1,0,0,0,0|1,0,1]=4 2641 B8R0.4 CCC=CC=NNCC 4a_100000756455_100011216943 [1,1,0,0,0,0|2,0,0]=4 2642 B8R0.4 CCC=NNCCCC 4a_100025702795_100000210100 [1,1,0,0,0,0|1,0,1]=4 2643 B8R0.4 CCCC/C=C/COC 34a_200016272032_200000210301 [1,1,0,0,0,0|0,0,1]=3 2644 B8R0.4 CCCC/C=C/COC 7a_200016272032_200000210301 [1,1,0,0,0,0|0,0,1]=3 2645 B8R0.4 CCCC/C=C/CO[13CH3] 34a_200016272032_200025704644 [1,1,0,0,0,0|0,0,1]=3 2646 B8R0.4 CCCC/C=C/CO[13CH3] 7a_200016272032_200025704644 [1,1,0,0,0,0|0,0,1]=3 2647 B8R0.4 CCCCC=NNCC 4a_100000756455_100000210104 [1,1,0,0,0,0|1,0,1]=4 2648 B8R0.4 CCCCCNCC=O 2230a_100000209983_200015260668 [1,1,0,0,0,0|0,0,2]=4 2649 B8R0.4 CCCCCOCC=O 34a_100000210253_200009817547 [1,1,0,0,0,0|0,0,2]=4 2650 B8R0.4 CCCCCOCC=O 7a_100000210253_200015260668 [1,1,0,0,0,0|0,0,2]=4 2651 B8R0.4 CCCCCSCC=O 62a_100000210326_200015260668 [1,1,0,0,0,0|0,0,2]=4 2652 B8R0.4 CCCCCSCC=O 62a_200015260668_100000210326 [1,1,0,0,0,0|0,0,2]=4 2653 B8R0.4 CCCSCCCC=O 62a_100000210303_200011292268 [1,1,0,0,0,0|0,0,2]=4 2654 B8R0.4 CCCSCCCC=O 62a_200011292268_100000210303 [1,1,0,0,0,0|0,0,2]=4 2655 B8R0.4 CCNCCCCC=O 2230a_100015525214_100000139335 [1,1,0,0,0,0|0,0,2]=4 2656 B8R0.4 CCOCCNCC=O 2230a_102516460346_200015260668 [1,1,0,0,0,0|1,0,1]=4 2657 B8R0.4 CCOCCNCC=O 34a_102516460346_200009817547 [1,1,0,0,0,0|1,0,1]=4 2658 B8R0.4 CCOCCOCC=O 34a_100000210136_200009817547 [1,1,0,0,0,0|1,0,1]=4 2659 B8R0.4 CCOCCOCC=O 7a_100000210136_200015260668 [1,1,0,0,0,0|1,0,1]=4 2660 B8R0.4 CCOCCSCC=O 62a_100000210147_200015260668 [1,1,0,0,0,0|1,0,1]=4 2661 B8R0.4 CCOCCSCC=O 62a_200015260668_100011215890 [1,1,0,0,0,0|1,0,1]=4 2662 B8R0.4 CCSCCCCC=O 62a_100000139335_100000210202 [1,1,0,0,0,0|0,0,2]=4 2663 B8R0.4 CCSCCCCC=O 62a_100000210202_100000139335 [1,1,0,0,0,0|0,0,2]=4 2664 B8R0.4 CCSCCNCC=O 2230a_100000106463_200015260668 [1,1,0,0,0,0|1,0,1]=4 2665 B8R0.4 CCSCCOCC=O 34a_100000212035_200009817547 [1,1,0,0,0,0|1,0,1]=4 2666 B8R0.4 CCSCCOCC=O 7a_100000212035_200015260668 [1,1,0,0,0,0|1,0,1]=4 2667 B8R0.4 CCSCCSCC=O 62a_100000757381_200015260668 [1,1,0,0,0,0|1,0,1]=4 2668 B8R0.4 CCSCCSCC=O 62a_200015260668_100000757381 [1,1,0,0,0,0|1,0,1]=4 2669 B8R0.4 CNCCCCCC=O 2230a_106832991635_100000139337 [1,1,0,0,0,0|0,0,2]=4 2670 B8R0.4 CNCCCCCC=O 7a_106832991635_100000139337 [1,1,0,0,0,0|0,0,2]=4 2671 B8R0.4 CNCCCOCC=O 34a_100000213112_200009817547 [1,1,0,0,0,0|1,0,1]=4 2672 B8R0.4 COCCCNCC=O 34a_100150723488_200009817547 [1,1,0,0,0,0|1,0,1]=4 2673 B8R0.4 COCCCOCC=O 34a_100000740835_200009817547 [1,1,0,0,0,0|1,0,1]=4 2674 B8R0.4 COCCCSCC=O 62a_100000709357_200015260668 [1,1,0,0,0,0|1,0,1]=4 2675 B8R0.4 COCCCSCC=O 62a_200015260668_100000709357 [1,1,0,0,0,0|1,0,1]=4 2676 B8R0.4 CSCCCCCC=O 62a_100000139337_200000210301 [1,1,0,0,0,0|0,0,2]=4 2677 B8R0.4 CSCCCCCC=O 62a_200000210301_100000139337 [1,1,0,0,0,0|0,0,2]=4 2678 B8R0.4 CSCCCNCC=O 2230a_100000749238_200015260668 [1,1,0,0,0,0|1,0,1]=4 2679 B8R0.4 CSCCCOCC=O 34a_100000690336_200009817547 [1,1,0,0,0,0|1,0,1]=4 2680 B8R0.4 CSCCCOCC=O 7a_100000690336_200015260668 [1,1,0,0,0,0|1,0,1]=4 2681 B8R0.4 NCCCCOCC=O 34a_100000750430_200009817547 [1,1,0,0,0,0|1,0,1]=4 2682 B8R0.4 O=CCNCCCCO 2230a_100000750430_200015260668 [1,1,0,0,0,0|1,0,1]=4 2683 B8R0.4 O=CCNCCCCO 34a_100000750430_200009817547 [1,1,0,0,0,0|1,0,1]=4 2684 B8R0.4 O=CCOCCCCBr 34a_100011216708_200009817547 [1,1,0,0,0,0|1,0,1]=4 2685 B8R0.4 O=CCOCCCCCl 34a_100000210776_200009817547 [1,1,0,0,0,0|1,0,1]=4 2686 B8R0.4 O=CCOCCCCCl 7a_100000210776_200015260668 [1,1,0,0,0,0|1,0,1]=4 2687 B8R0.4 O=CCOCCCCF 34a_100011995726_200009817547 [1,1,0,0,0,0|1,0,1]=4 2688 B8R0.4 O=CCOCCCCF 7a_100011995726_200015260668 [1,1,0,0,0,0|1,0,1]=4 2689 B8R0.4 O=CCOCCCCI 34a_200012148704_200009817547 [1,1,0,0,0,0|1,0,1]=4 2690 B8R0.4 O=CCSCCCCF 62a_100000729493_200015260668 [1,1,0,0,0,0|1,0,1]=4 2691 B8R0.4 O=CCSCCCCF 62a_200015260668_100000729493 [1,1,0,0,0,0|1,0,1]=4 2692 B8R0.4 O=CCSCCCCO 62a_100000210776_200015260668 [1,1,0,0,0,0|1,0,1]=4 2693 B8R0.4 O=CCSCCCCO 62a_200015260668_100000210776 [1,1,0,0,0,0|1,0,1]=4 2694 B8R0.4 [13CH3]SCCCCCC=O 62a_100000139337_200025704644 [1,1,0,0,0,0|0,0,2]=4 2695 B8R0.4 [13CH3]SCCCCCC=O 62a_200025704644_100000139337 [1,1,0,0,0,0|0,0,2]=4 2696 B8R0.6 C/C=C(\C)/C=NNCC 4a_100000756455_100020587592 [1,1,0,0,0,0|2,0,0]=4 2697 B8R0.6 C/C=C/C=CC(=O)CC 1458a_100000185730_100000210202 [1,1,0,0,0,0|0,0,2]=4 2698 B8R0.6 C/C=C/COC(C)CC 34a_100016270725_100011215416 [1,1,0,0,0,0|1,0,1]=4 2699 B8R0.6 C/C=C/COC(C)CC 7a_100000210228_100102629194 [1,1,0,0,0,0|1,0,1]=4 2700 B8R0.6 C/C=C/CSC(C)CC 62a_100000758301_100102629194 [1,1,0,0,0,0|1,0,1]=4 2701 B8R0.6 C/C=C/CSC(C)CC 62a_100102629194_100000758301 [1,1,0,0,0,0|1,0,1]=4 2702 B8R0.6 C=CC(=O)CCCCC 1458a_100000185746_100000210326 [1,1,0,0,0,0|0,0,2]=4 2703 B8R0.6 C=CC(=O)NCCCC 1626a_100000102301_100000185746 [1,1,0,0,0,0|1,0,1]=4 2704 B8R0.6 C=CC(=O)NCCCC 240690a_100000102301_200121576911 [1,1,0,0,0,0|1,0,1]=4 2705 B8R0.6 CC/C=C/CC(=O)CC 1458a_100016274230_100000210202 [1,1,0,0,0,0|0,0,2]=4 2706 B8R0.6 CC/C=C\CC(=O)CC 1458a_100000210414_100103147603 [1,1,0,0,0,0|0,0,2]=4 2707 B8R0.6 CC/C=C\CN(C)CC 2230a_100000225621_100103147603 [1,1,0,0,0,0|1,0,1]=4 2708 B8R0.6 CC/C=C\CN(C)CC 269982a_100000225621_100103147603 [1,1,0,0,0,0|1,0,1]=4 2709 B8R0.6 CC=CCNC(C)CC 2230a_100000209981_100000070051 [1,1,0,0,0,0|1,0,1]=4 2710 B8R0.6 CC=CCOC(C)CC 7a_100000210228_100000070051 [1,1,0,0,0,0|1,0,1]=4 2711 B8R0.6 CC=CCSC(C)CC 62a_100000070051_100000758301 [1,1,0,0,0,0|1,0,1]=4 2712 B8R0.6 CC=CCSC(C)CC 62a_100000758301_100000070051 [1,1,0,0,0,0|1,0,1]=4 2713 B8R0.6 CC=NNCC(O)CC 4a_100015206393_200000210099 [1,1,0,0,0,0|2,0,0]=4 2714 B8R0.6 CCC(C)CNCC=O 2230a_100020588543_200015260668 [1,1,0,0,0,0|1,0,1]=4 2715 B8R0.6 CCC(C)CSCC=O 62a_100000748023_200015260668 [1,1,0,0,0,0|1,0,1]=4 2716 B8R0.6 CCC(C)CSCC=O 62a_200015260668_100000748023 [1,1,0,0,0,0|1,0,1]=4 2717 B8R0.6 CCC(O)CNCC=O 2230a_100011218483_200015260668 [1,1,0,0,0,0|1,0,1]=4 2718 B8R0.6 CCC(O)CSCC=O 62a_100011218378_200015260668 [1,1,0,0,0,0|1,0,1]=4 2719 B8R0.6 CCC(O)CSCC=O 62a_200015260668_100011218378 [1,1,0,0,0,0|1,0,1]=4 2720 B8R0.6 CCCC=CC(=O)CC 1458a_100000212230_100000210202 [1,1,0,0,0,0|0,0,2]=4 2721 B8R0.6 CCCC=CC(=O)NC 11a_106832991635_100000212230 [1,1,0,0,0,0|1,0,1]=4 2722 B8R0.6 CCCC=CC(=O)NC 1626a_100102657272_100000212230 [1,1,0,0,0,0|1,0,1]=4 2723 B8R0.6 CCCC=CC(=O)NC 240690a_100102657272_100000212230 [1,1,0,0,0,0|1,0,1]=4 2724 B8R0.6 CCCCCC(=O)CC 1458a_100000210414_100000210326 [1,1,0,0,0,0|0,0,2]=4 2725 B8R0.6 CCCCCC(=O)CC 1458a_100000212188_100000210202 [1,1,0,0,0,0|0,0,2]=4 2726 B8R0.6 CCCCCC(=O)NC 11a_106832991635_100000212188 [1,1,0,0,0,0|1,0,1]=4 2727 B8R0.6 CCCCCC(=O)NC 1626a_100102657272_100000212188 [1,1,0,0,0,0|1,0,1]=4 2728 B8R0.6 CCCCCC(=O)NC 240690a_100102657272_100000212188 [1,1,0,0,0,0|1,0,1]=4 2729 B8R0.6 CCCCCC(=O)NC 527a_100102657272_100000212188 [1,1,0,0,0,0|1,0,1]=4 2730 B8R0.6 CCCCNC(=O)CC 11a_100000102301_100000210414 [1,1,0,0,0,0|1,0,1]=4 2731 B8R0.6 CCCCNC(=O)CC 1626a_100000102301_100000210414 [1,1,0,0,0,0|1,0,1]=4 2732 B8R0.6 CCCCNC(=O)CC 240690a_100000102301_100000210414 [1,1,0,0,0,0|1,0,1]=4 2733 B8R0.6 CCCCNC(=O)CC 527a_100000102301_100000210414 [1,1,0,0,0,0|1,0,1]=4 2734 B8R0.6 CCCCNC(=O)NC 2708a_100000102301_106832991635 [1,1,0,0,0,0|2,0,0]=4 2735 B8R0.6 CCCCNC(=O)NC 2708a_100102657272_100000102301 [1,1,0,0,0,0|2,0,0]=4 2736 B8R0.6 CCCCNC(=O)NC 273464a_100000102301_100102657272 [1,1,0,0,0,0|2,0,0]=4 2737 B8R0.6 CCCCNC(=O)NC 273464a_100102657272_100000102301 [1,1,0,0,0,0|2,0,0]=4 2738 B8R0.6 CCCCNC(=O)NC 512a_100000102301_100102657272 [1,1,0,0,0,0|2,0,0]=4 2739 B8R0.6 CCCCNC(=O)NC 512a_106832991638_100000102301 [1,1,0,0,0,0|2,0,0]=4 2740 B8R0.6 CC[C@H](C)COCC=O 7a_100009816381_200015260668 [1,1,0,0,0,0|1,0,1]=4 2741 B8R0.6 CC[C@H](C)CSCC=O 62a_100009816398_200015260668 [1,1,0,0,0,0|1,0,1]=4 2742 B8R0.6 CC[C@H](C)CSCC=O 62a_200015260668_100009816398 [1,1,0,0,0,0|1,0,1]=4 2743 B8R0.5 C=C(C)CC(=O)CCC 1458a_100000211992_100000748629 [1,1,0,0,0,0|1,0,1]=4 2744 B8R0.5 C=C(CCC)CC(=O)C 1458a_100000138376_200000210301 [1,1,0,0,0,0|0,0,1]=3 2745 B8R0.5 C=C(CCC)CC(=O)[13CH3] 1458a_100000138376_200025704644 [1,1,0,0,0,0|0,0,1]=3 2746 B8R0.5 CC(=CC(=O)CCF)C 1458a_100000211388_100011217306 [1,1,0,0,0,0|2,0,0]=4 2747 B8R0.5 CC(=CC(=O)CCF)Cl 1458a_200042562850_100011217306 [1,1,0,0,0,0|2,0,0]=4 2748 B8R0.5 CC(=CC(=O)CCF)I 1458a_100025716642_100011217306 [1,1,0,0,0,0|2,0,0]=4 2749 B8R0.5 CC(=CC(=O)CCO)C 1458a_100000211388_100000211926 [1,1,0,0,0,0|2,0,0]=4 2750 B8R0.5 CC(=CC(=O)CCO)Cl 1458a_200042562850_100000211926 [1,1,0,0,0,0|2,0,0]=4 2751 B8R0.5 CC(=CC(=O)CCO)I 1458a_100025716642_100000211926 [1,1,0,0,0,0|2,0,0]=4 2752 B8R0.5 CC(=O)NC(=O)CS[13CH3] 62a_200025704644_100000183797 [1,1,0,0,0,0|2,0,0]=4 2753 B8R0.5 CC(=O)N[C@H](C)CCO 240690a_100000706166_100015343762 [1,1,0,0,0,0|2,0,0]=4 2754 B8R0.5 CC(=O)N[C@H](C)CCO 527a_100000706166_100103153847 [1,1,0,0,0,0|2,0,0]=4 2755 B8R0.5 CCCC(=CC(=O)C)C 1458a_100020676950_200000210301 [1,1,0,0,0,0|0,0,0]=2 2756 B8R0.5 CCCC(=CC(=O)[13CH3])C 1458a_100020676950_200025704644 [1,1,0,0,0,0|0,0,0]=2 2757 B8R0.5 CCCC(=O)C=C(C)C 1458a_100000211388_100000210303 [1,1,0,0,0,0|1,0,0]=3 2758 B8R0.5 CCCC(=O)C=C(C)Cl 1458a_200042562850_100000210303 [1,1,0,0,0,0|1,0,0]=3 2759 B8R0.5 CCCC(=O)C=C(C)I 1458a_100025716642_100000210303 [1,1,0,0,0,0|1,0,0]=3 2760 B8R0.5 CCCC(=O)C=C(Cl)Cl 1458a_100000137448_100000210303 [1,1,0,0,0,0|2,0,0]=4 2761 B8R0.5 CCCC(=O)CC(=O)C 1458a_100000070787_100000747444 [1,1,0,0,0,0|0,0,1]=3 2762 B8R0.5 CCCC(=O)CC(=O)N 1458a_100000211992_100000187820 [1,1,0,0,0,0|1,0,1]=4 2763 B8R0.5 CCCC(=O)CC(=O)N 1458a_100134613110_100000210303 [1,1,0,0,0,0|1,0,1]=4 2764 B8R0.5 CCCC(=O)CC(=O)[O-] 1458a_100000211992_100020667443 [1,1,0,0,0,0|1,0,1]=4 2765 B8R0.5 CCCC(C)CC(=O)C 1458a_100000070787_100011216630 [1,1,0,0,0,0|0,0,1]=3 2766 B8R0.5 CCCC(C)CC(=O)C 1458a_100000748435_200000210301 [1,1,0,0,0,0|0,0,1]=3 2767 B8R0.5 CCCC(C)CC(=O)[13CH3] 1458a_100000748435_200025704644 [1,1,0,0,0,0|0,0,1]=3 2768 B8R0.5 CCCC(C)NC(=O)C 11a_100000741246_100015343762 [1,1,0,0,0,0|1,0,0]=3 2769 B8R0.5 CCCC(C)NC(=O)C 1626a_100000741246_100015343762 [1,1,0,0,0,0|1,0,0]=3 2770 B8R0.5 CCCC(C)NC(=O)C 240690a_100000741246_100015343762 [1,1,0,0,0,0|1,0,0]=3 2771 B8R0.5 CCCC(C)NC(=O)C 527a_100000741246_100103153847 [1,1,0,0,0,0|1,0,0]=3 2772 B8R0.5 CCCS(=O)CC(=O)C 1458a_100011387404_200000210301 [1,1,0,0,0,0|1,0,1]=4 2773 B8R0.5 CCCS(=O)CC(=O)[13CH3] 1458a_100011387404_200025704644 [1,1,0,0,0,0|1,0,1]=4 2774 B8R0.5 CCNC(=O)C=C(C)C 11a_100015525214_100000211388 [1,1,0,0,0,0|2,0,0]=4 2775 B8R0.5 CCNC(=O)C=C(C)C 240690a_100015525214_100000211388 [1,1,0,0,0,0|2,0,0]=4 2776 B8R0.5 CCNC(=O)C=C(C)Cl 11a_100015525214_200042562850 [1,1,0,0,0,0|2,0,0]=4 2777 B8R0.5 CCNC(=O)C=C(C)Cl 240690a_100015525214_200042562850 [1,1,0,0,0,0|2,0,0]=4 2778 B8R0.5 CCNC(=O)C=C(C)I 11a_100015525214_100025716642 [1,1,0,0,0,0|2,0,0]=4 2779 B8R0.5 CCNC(=O)CC(=O)C 1458a_100000070787_100000183381 [1,1,0,0,0,0|1,0,1]=4 2780 B8R0.5 CCOC(=O)CC(=O)C 1458a_100000070787_100000188475 [1,1,0,0,0,0|1,0,1]=4 2781 B8R0.5 CCOC(=O)CC(=O)C 1458a_100000243816_200000210301 [1,1,0,0,0,0|1,0,1]=4 2782 B8R0.5 CCOC(=O)CC(=O)[13CH3] 1458a_100000243816_200025704644 [1,1,0,0,0,0|1,0,1]=4 2783 B8R0.5 CCOC(C)C=C(C)C 34a_100000717055_100000210202 [1,1,0,0,0,0|2,0,0]=4 2784 B8R0.5 CCSC(C)CC(=O)C 1458a_200011311441_200000210301 [1,1,0,0,0,0|1,0,1]=4 2785 B8R0.5 CCSC(C)CC(=O)[13CH3] 1458a_200011311441_200025704644 [1,1,0,0,0,0|1,0,1]=4 2786 B8R0.5 CCSC(C)OC(=O)C 62a_100000210202_100009818208 [1,1,0,0,0,0|2,0,0]=4 2787 B8R0.5 CCSC(C)OC(=O)C 62a_100009818208_100000210202 [1,1,0,0,0,0|2,0,0]=4 2788 B8R0.5 CNCC(=O)NC(=O)C 7a_106832991635_100000183797 [1,1,0,0,0,0|2,0,0]=4 2789 B8R0.5 COC[C@@H](C)NC(=O)C 11a_100000764878_100015343762 [1,1,0,0,0,0|2,0,0]=4 2790 B8R0.5 COC[C@@H](C)NC(=O)C 1626a_100000764878_100015343762 [1,1,0,0,0,0|2,0,0]=4 2791 B8R0.5 COC[C@@H](C)NC(=O)C 240690a_100000764878_100015343762 [1,1,0,0,0,0|2,0,0]=4 2792 B8R0.5 COC[C@@H](C)NC(=O)C 527a_100000764878_100103153847 [1,1,0,0,0,0|2,0,0]=4 2793 B8R0.5 CSCC(=O)NC(=O)C 62a_200000210301_100000183797 [1,1,0,0,0,0|2,0,0]=4 2794 B8R0.8 C=C(C)C(=O)CCCC 1458a_100000185857_100000210211 [1,1,0,0,0,0|1,0,0]=3 2795 B8R0.8 C=C(C)C(=O)CCCF 1458a_100000185857_100011934791 [1,1,0,0,0,0|2,0,0]=4 2796 B8R0.8 C=C(C)C(=O)CCCO 1458a_100000185857_100011215043 [1,1,0,0,0,0|2,0,0]=4 2797 B8R0.8 C=C(C)C(=O)CCOC 1458a_100000185857_100000233755 [1,1,0,0,0,0|2,0,0]=4 2798 B8R0.8 C=C(C)C(=O)CCSC 1458a_100000185857_100000751147 [1,1,0,0,0,0|2,0,0]=4 2799 B8R0.8 C=C(C)C(=O)NCCC 11a_100020643023_100000185857 [1,1,0,0,0,0|2,0,0]=4 2800 B8R0.8 C=C(C)C(=O)NCCC 1626a_100020643023_100000185857 [1,1,0,0,0,0|2,0,0]=4 2801 B8R0.8 CC(=O)C(=O)CSCF 62a_100011261029_100015361967 [1,1,0,0,0,0|2,0,0]=4 2802 B8R0.8 CC(=O)C(=O)CSCF 62a_100015361967_100011261029 [1,1,0,0,0,0|2,0,0]=4 2803 B8R0.8 CC(=O)N(C)CCCO 240690a_100000213112_100015343762 [1,1,0,0,0,0|2,0,0]=4 2804 B8R0.8 CC(=O)N(C)CCCO 527a_100000213112_100103153847 [1,1,0,0,0,0|2,0,0]=4 2805 B8R0.8 CCC/C=C(\C)/C(=O)C 1458a_200020648666_200000210301 [1,1,0,0,0,0|0,0,0]=2 2806 B8R0.8 CCC/C=C(\C)/C(=O)[13CH3] 1458a_200020648666_200025704644 [1,1,0,0,0,0|0,0,0]=2 2807 B8R0.8 CCCCC(=O)C(C)C 1458a_100000210183_100000210206 [1,1,0,0,0,0|1,0,1]=4 2808 B8R0.8 CCCCC(=O)C(C)C 1458a_100000210198_100000210211 [1,1,0,0,0,0|1,0,1]=4 2809 B8R0.8 CCCCC(=O)C(C)F 1458a_100000062450_100000210211 [1,1,0,0,0,0|1,0,1]=4 2810 B8R0.8 CCCCC(=O)N(C)C 11a_100102631434_100000210183 [1,1,0,0,0,0|2,0,0]=4 2811 B8R0.8 CCCCC(=O)N(C)C 1626a_100102631434_100000210183 [1,1,0,0,0,0|2,0,0]=4 2812 B8R0.8 CCCCC(=O)N(C)C 240690a_100102631434_100000210183 [1,1,0,0,0,0|2,0,0]=4 2813 B8R0.8 CCCCC(=O)N(C)C 527a_100102631434_100000210183 [1,1,0,0,0,0|2,0,0]=4 2814 B8R0.8 CCCCC(=O)[C@@H](C)O 1458a_100000717761_100000210211 [1,1,0,0,0,0|0,0,2]=4 2815 B8R0.8 CCCCC(=O)[C@H](C)O 1458a_217856618621_100000210211 [1,1,0,0,0,0|0,0,2]=4 2816 B8R0.8 CCCCC(C)C(=O)C 1458a_100000070787_200011215066 [1,1,0,0,0,0|0,0,1]=3 2817 B8R0.8 CCCCC(C)C(=O)C 1458a_100000725509_200000210301 [1,1,0,0,0,0|0,0,1]=3 2818 B8R0.8 CCCCC(C)C(=O)[13CH3] 1458a_100000725509_200025704644 [1,1,0,0,0,0|0,0,1]=3 2819 B8R0.8 CCCCC(O)C(=O)C 1458a_100000720857_200000210301 [1,1,0,0,0,0|0,0,1]=3 2820 B8R0.8 CCCCC(O)C(=O)[13CH3] 1458a_100000720857_200025704644 [1,1,0,0,0,0|0,0,1]=3 2821 B8R0.8 CCCCN(C)C(=O)C 11a_100000207549_100015343762 [1,1,0,0,0,0|1,0,0]=3 2822 B8R0.8 CCCCN(C)C(=O)C 1626a_100000207549_100015343762 [1,1,0,0,0,0|1,0,0]=3 2823 B8R0.8 CCCCN(C)C(=O)C 240690a_100000207549_100015343762 [1,1,0,0,0,0|1,0,0]=3 2824 B8R0.8 CCCCN(C)C(=O)C 527a_100000207549_100103153847 [1,1,0,0,0,0|1,0,0]=3 2825 B8R0.8 CCCNC(=O)C(=O)C 1458a_200011297150_200000210301 [1,1,0,0,0,0|1,0,0]=3 2826 B8R0.8 CCCNC(=O)C(=O)N 240690a_100020643023_100011215815 [1,1,0,0,0,0|2,0,0]=4 2827 B8R0.8 CCCNC(=O)C(=O)[13CH3] 1458a_200011297150_200025704644 [1,1,0,0,0,0|1,0,0]=3 2828 B8R0.8 CCCOC(C)C(=O)C 34a_100000212229_100000210303 [1,1,0,0,0,0|1,0,1]=4 2829 B8R0.8 CCCSC(C)C(=O)C 62a_100000210303_100009814033 [1,1,0,0,0,0|1,0,1]=4 2830 B8R0.8 CCCSC(C)C(=O)C 62a_100009814033_100000210303 [1,1,0,0,0,0|1,0,1]=4 2831 B8R0.8 CCOCC(=O)C(=O)C 34a_100121572206_100011261029 [1,1,0,0,0,0|1,0,0]=3 2832 B8R0.8 CCOCC(C)C(=O)C 34a_100000032740_100000210202 [1,1,0,0,0,0|1,0,1]=4 2833 B8R0.8 CCOCC(C)C(=O)C 7a_100000032740_100000210202 [1,1,0,0,0,0|1,0,1]=4 2834 B8R0.8 CCSCC(=O)C(=O)C 62a_100000210202_100011261029 [1,1,0,0,0,0|1,0,0]=3 2835 B8R0.8 CCSCC(=O)C(=O)C 62a_100011261029_100000210202 [1,1,0,0,0,0|1,0,0]=3 2836 B8R0.8 COCCN(C)C(=O)C 11a_100000743101_100015343762 [1,1,0,0,0,0|2,0,0]=4 2837 B8R0.8 COCCN(C)C(=O)C 1626a_100000743101_100015343762 [1,1,0,0,0,0|2,0,0]=4 2838 B8R0.8 COCCN(C)C(=O)C 240690a_100000743101_100015343762 [1,1,0,0,0,0|2,0,0]=4 2839 B8R0.8 COCCN(C)C(=O)C 527a_100000743101_100103153847 [1,1,0,0,0,0|2,0,0]=4 2840 B8R0.8 CSCCC(O)C(=O)C 1458a_100000685904_200000210301 [1,1,0,0,0,0|1,0,1]=4 2841 B8R0.8 CSCCC(O)C(=O)[13CH3] 1458a_100000685904_200025704644 [1,1,0,0,0,0|1,0,1]=4 2842 B8R0.8 CSCCN(C)C(=O)C 11a_100000686725_100015343762 [1,1,0,0,0,0|2,0,0]=4 2843 B8R0.8 CSCCN(C)C(=O)C 1626a_100000686725_100015343762 [1,1,0,0,0,0|2,0,0]=4 2844 B8R0.8 CSCCN(C)C(=O)C 240690a_100000686725_100015343762 [1,1,0,0,0,0|2,0,0]=4 2845 B8R0.8 CSCCN(C)C(=O)C 527a_100000686725_100103153847 [1,1,0,0,0,0|2,0,0]=4 2846 B8R0.9 CC(=O)NCC(C)CO 240690a_100000744482_100015343762 [1,1,0,0,0,0|2,0,0]=4 2847 B8R0.9 CC(=O)NCC(C)CO 527a_100000744482_100103153847 [1,1,0,0,0,0|2,0,0]=4 2848 B8R0.9 CC(=O)NC[C@@H](F)CO 240690a_100015665980_100015343762 [1,1,0,0,0,0|2,0,0]=4 2849 B8R0.9 CC(=O)NC[C@@H](F)CO 527a_100015665980_100103153847 [1,1,0,0,0,0|2,0,0]=4 2850 B8R0.9 CC(=O)NC[C@H](O)CO 240690a_100020644852_100015343762 [1,1,0,0,0,0|2,0,0]=4 2851 B8R0.9 CC(=O)NC[C@H](O)CO 527a_100020644852_100103153847 [1,1,0,0,0,0|2,0,0]=4 2852 B8R0.9 CC=C(C)C=CC(=O)C 1458a_100000692105_200000210301 [1,1,0,0,0,0|0,0,2]=4 2853 B8R0.9 CC=C(C)C=CC(=O)[13CH3] 1458a_100000692105_200025704644 [1,1,0,0,0,0|0,0,2]=4 2854 B8R0.9 CCC(=O)CC=C(C)C 1458a_100000210414_100000761012 [1,1,0,0,0,0|1,0,1]=4 2855 B8R0.9 CCC(=O)CC=C(C)C 1458a_100011220947_100000210202 [1,1,0,0,0,0|1,0,1]=4 2856 B8R0.9 CCC(=O)CNC(=O)C 1458a_100000194580_100000210202 [1,1,0,0,0,0|1,0,1]=4 2857 B8R0.9 CCC(=O)COC(=O)C 1458a_100000183556_100000210202 [1,1,0,0,0,0|1,0,1]=4 2858 B8R0.9 CCC(=O)CSC(=O)C 1458a_100000049016_100000210202 [1,1,0,0,0,0|1,0,1]=4 2859 B8R0.9 CCC(C)CCC(=O)C 1458a_100000701222_200000210301 [1,1,0,0,0,0|0,0,1]=3 2860 B8R0.9 CCC(C)CCC(=O)[13CH3] 1458a_100000701222_200025704644 [1,1,0,0,0,0|0,0,1]=3 2861 B8R0.9 CCC(C)CNC(=O)C 11a_100020588543_100015343762 [1,1,0,0,0,0|1,0,0]=3 2862 B8R0.9 CCC(C)CNC(=O)C 1626a_100020588543_100015343762 [1,1,0,0,0,0|1,0,0]=3 2863 B8R0.9 CCC(C)CNC(=O)C 240690a_100020588543_100015343762 [1,1,0,0,0,0|1,0,0]=3 2864 B8R0.9 CCC(C)CNC(=O)C 527a_100020588543_100103153847 [1,1,0,0,0,0|1,0,0]=3 2865 B8R0.9 CCC(C)NNC(=O)C 22a_100000718999_100000070787 [1,1,0,0,0,0|2,0,0]=4 2866 B8R0.9 CCC(C)OCC(=O)C 34a_100000211253_100011215416 [1,1,0,0,0,0|1,0,1]=4 2867 B8R0.9 CCC(O)CNC(=O)C 11a_100011218483_100015343762 [1,1,0,0,0,0|1,0,0]=3 2868 B8R0.9 CCC(O)CNC(=O)C 240690a_100011218483_100015343762 [1,1,0,0,0,0|1,0,0]=3 2869 B8R0.9 CCC(O)CNC(=O)C 527a_100011218483_100103153847 [1,1,0,0,0,0|1,0,0]=3 2870 B8R0.9 CCN(C)CC=C(C)C 2230a_100000225621_100000761012 [1,1,0,0,0,0|2,0,0]=4 2871 B8R0.9 CCN(C)CC=C(C)C 269982a_100000225621_100000761012 [1,1,0,0,0,0|2,0,0]=4 2872 B8R0.9 CCN(C)CCC(=O)C 1458a_100000755305_200000210301 [1,1,0,0,0,0|1,0,1]=4 2873 B8R0.9 CCN(C)CCC(=O)C 269982a_100000225621_100000053229 [1,1,0,0,0,0|1,0,1]=4 2874 B8R0.9 CCN(C)CCC(=O)[13CH3] 1458a_100000755305_200025704644 [1,1,0,0,0,0|1,0,1]=4 2875 B8R0.9 CCN(C)COC(=O)C 269982a_100000225621_100000076356 [1,1,0,0,0,0|2,0,0]=4 2876 B8R0.9 CCS(=O)CCC(=O)C 1458a_100011387550_200000210301 [1,1,0,0,0,0|1,0,1]=4 2877 B8R0.9 CCS(=O)CCC(=O)[13CH3] 1458a_100011387550_200025704644 [1,1,0,0,0,0|1,0,1]=4 2878 B8R0.9 CNC(=O)C=CC(=O)C 1458a_100016259477_200000210301 [1,1,0,0,0,0|1,0,1]=4 2879 B8R0.9 CNC(=O)C=CC(=O)[13CH3] 1458a_100016259477_200025704644 [1,1,0,0,0,0|1,0,1]=4 2880 B8R0.9 CNC(C)COC(=O)C 270004a_106832991635_100000000629 [1,1,0,0,0,0|2,0,0]=4 2881 B8R0.9 CO[C@H](C)CNC(=O)C 11a_100020591295_100015343762 [1,1,0,0,0,0|2,0,0]=4 2882 B8R0.9 CO[C@H](C)CNC(=O)C 1626a_100020591295_100015343762 [1,1,0,0,0,0|2,0,0]=4 2883 B8R0.9 CO[C@H](C)CNC(=O)C 240690a_100020591295_100015343762 [1,1,0,0,0,0|2,0,0]=4 2884 B8R0.9 CO[C@H](C)CNC(=O)C 527a_100020591295_100103153847 [1,1,0,0,0,0|2,0,0]=4 2885 B8R0.21 CCCCNS(=O)(=O)C 40a_100000102301_100000738038 [1,1,0,0,0,0|2,0,0]=4 2886 B8R0.28 CC(=CCCN(C)C)C 2230a_100102631434_100011217483 [1,1,0,0,0,0|2,0,0]=4 2887 B8R0.28 CC(=CCCN(C)C)C 269982a_100102631434_100011217483 [1,1,0,0,0,0|2,0,0]=4 2888 B8R0.28 CC(=CCNC(C)C)C 2230a_100138425928_100000761012 [1,1,0,0,0,0|2,0,0]=4 2889 B8R0.28 CC(=CCNC(C)C)C 34a_100000718196_100000210206 [1,1,0,0,0,0|2,0,0]=4 2890 B8R0.28 CC(=CCNC(C)C)C 34a_100138425928_100000761012 [1,1,0,0,0,0|2,0,0]=4 2891 B8R0.28 CC(=CCOC(C)C)C 34a_100000212225_100000761012 [1,1,0,0,0,0|2,0,0]=4 2892 B8R0.28 CC(=CCOC(C)C)C 34a_100000753907_100000210206 [1,1,0,0,0,0|2,0,0]=4 2893 B8R0.28 CC(=CCSC(C)C)C 62a_100000210206_100000761012 [1,1,0,0,0,0|2,0,0]=4 2894 B8R0.28 CC(=CCSC(C)C)C 62a_100000761012_100000210206 [1,1,0,0,0,0|2,0,0]=4 2895 B8R0.28 CC(=O)C/C=C/C(C)C 1458a_100016292215_200000210301 [1,1,0,0,0,0|0,0,2]=4 2896 B8R0.28 CC(=O)C=CCN(C)C 1458a_100000754359_200000210301 [1,1,0,0,0,0|1,0,0]=3 2897 B8R0.28 CC(=O)CCC=C(C)C 1458a_100000070787_100011217483 [1,1,0,0,0,0|1,0,1]=4 2898 B8R0.28 CC(=O)CCCC(=O)C 1458a_100000070787_100011215641 [1,1,0,0,0,0|0,0,2]=4 2899 B8R0.28 CC(=O)CCCC(C)C 1458a_100000070787_100011214892 [1,1,0,0,0,0|0,0,1]=3 2900 B8R0.28 CC(=O)CCCC(C)C 1458a_100011216857_200000210301 [1,1,0,0,0,0|0,0,1]=3 2901 B8R0.28 CC(=O)CCCC(C)O 1458a_100000070787_200000718107 [1,1,0,0,0,0|0,0,1]=3 2902 B8R0.28 CC(=O)CCCN(C)C 1458a_100000070787_100000695564 [1,1,0,0,0,0|1,0,1]=4 2903 B8R0.28 CC(=O)CCCN(C)C 269982a_100102631434_100011215641 [1,1,0,0,0,0|1,0,1]=4 2904 B8R0.28 CC(=O)CCNC(=O)C 1458a_100000070787_100000189650 [1,1,0,0,0,0|1,0,1]=4 2905 B8R0.28 CC(=O)CCNC(=O)C 1458a_100000183196_200000210301 [1,1,0,0,0,0|1,0,1]=4 2906 B8R0.28 CC(=O)CCOC(=O)C 1458a_100000070787_100009814007 [1,1,0,0,0,0|1,0,1]=4 2907 B8R0.28 CC(=O)CCOC(C)C 1458a_100000070787_100000211751 [1,1,0,0,0,0|1,0,1]=4 2908 B8R0.28 CC(=O)CCOC(C)C 34a_100000759926_100000210206 [1,1,0,0,0,0|1,0,1]=4 2909 B8R0.28 CC(=O)CCOC(C)C 7a_100000759926_100000210206 [1,1,0,0,0,0|1,0,1]=4 2910 B8R0.28 CC(=O)CCSC(=O)C 1458a_100000048949_200000210301 [1,1,0,0,0,0|1,0,1]=4 2911 B8R0.28 CC(=O)CCSC(C)C 1458a_100000070787_100000730970 [1,1,0,0,0,0|1,0,1]=4 2912 B8R0.28 CC(=O)CCSC(C)C 62a_100000053229_100000210206 [1,1,0,0,0,0|1,0,1]=4 2913 B8R0.28 CC(=O)CCSC(C)C 62a_100000210206_100000053229 [1,1,0,0,0,0|1,0,1]=4 2914 B8R0.28 CC(=O)COCC(C)C 1458a_100011223364_200000210301 [1,1,0,0,0,0|1,0,1]=4 2915 B8R0.28 CC(=O)COCC(C)C 34a_100000211253_100000210624 [1,1,0,0,0,0|1,0,1]=4 2916 B8R0.28 CC(=O)COCC(C)O 34a_100000211253_100011218427 [1,1,0,0,0,0|1,0,1]=4 2917 B8R0.28 CC(=O)COC[C@@H](C)O 34a_100000211253_100009817552 [1,1,0,0,0,0|1,0,1]=4 2918 B8R0.28 CC(=O)NCCC(=O)[13CH3] 1458a_100000183196_200025704644 [1,1,0,0,0,0|1,0,1]=4 2919 B8R0.28 CC(=O)NCCC(C)C 11a_100000210545_100015343762 [1,1,0,0,0,0|1,0,0]=3 2920 B8R0.28 CC(=O)NCCC(C)C 1626a_100000210545_100015343762 [1,1,0,0,0,0|1,0,0]=3 2921 B8R0.28 CC(=O)NCCC(C)C 240690a_100000210545_100015343762 [1,1,0,0,0,0|1,0,0]=3 2922 B8R0.28 CC(=O)NCCC(C)C 527a_100000210545_100103153847 [1,1,0,0,0,0|1,0,0]=3 2923 B8R0.28 CC(=O)NCCC(C)O 240690a_200000755665_100015343762 [1,1,0,0,0,0|1,0,0]=3 2924 B8R0.28 CC(=O)NCCC(C)O 527a_200000755665_100103153847 [1,1,0,0,0,0|1,0,0]=3 2925 B8R0.28 CC(=O)NCCN(C)C 2230a_100102631434_100000189650 [1,1,0,0,0,0|2,0,0]=4 2926 B8R0.28 CC(=O)NCCN(C)C 240690a_100000210585_100015343762 [1,1,0,0,0,0|2,0,0]=4 2927 B8R0.28 CC(=O)NCCN(C)C 269982a_100102631434_100000189650 [1,1,0,0,0,0|2,0,0]=4 2928 B8R0.28 CC(=O)NCCN(C)C 527a_100000210585_100103153847 [1,1,0,0,0,0|2,0,0]=4 2929 B8R0.28 CC(=O)NNCC(C)C 22a_100000696102_100000070787 [1,1,0,0,0,0|2,0,0]=4 2930 B8R0.28 CC(=O)NNCC(C)O 22a_200000730056_100000070787 [1,1,0,0,0,0|2,0,0]=4 2931 B8R0.28 CC(=O)OCCN(C)C 269982a_100102631434_100009814007 [1,1,0,0,0,0|2,0,0]=4 2932 B8R0.28 CC(=O)OCNC(C)C 34a_100138425928_100009813279 [1,1,0,0,0,0|2,0,0]=4 2933 B8R0.28 CC(=O)OCOC(C)C 34a_100000212225_100009813279 [1,1,0,0,0,0|2,0,0]=4 2934 B8R0.28 CC(=O)OCSC(C)C 62a_100000076356_100000210206 [1,1,0,0,0,0|2,0,0]=4 2935 B8R0.28 CC(=O)OCSC(C)C 62a_100000210206_100000076356 [1,1,0,0,0,0|2,0,0]=4 2936 B8R0.28 CC(=O)SCCC(=O)[13CH3] 1458a_100000048949_200025704644 [1,1,0,0,0,0|1,0,1]=4 2937 B8R0.28 CC(C)/C=C/CC(=O)[13CH3] 1458a_100016292215_200025704644 [1,1,0,0,0,0|0,0,2]=4 2938 B8R0.28 CC(C)CCCC(=O)[13CH3] 1458a_100011216857_200025704644 [1,1,0,0,0,0|0,0,1]=3 2939 B8R0.28 CC(C)COCC(=O)[13CH3] 1458a_100011223364_200025704644 [1,1,0,0,0,0|1,0,1]=4 2940 B8R0.28 CN(C)CC=CC(=O)[13CH3] 1458a_100000754359_200025704644 [1,1,0,0,0,0|1,0,0]=3 2941 B10R0.3 CCCC(=O)C/C=C/C(C)C 1458a_100016292215_100000210303 [0,2,0,0,0,0|1,0,1]=4 2942 B10R0.3 CCCC(=O)CCC=C(C)C 1458a_100000211992_100011217483 [0,2,0,0,0,0|1,0,1]=4 2943 B10R0.3 CCCC(=O)CCCC(=O)C 1458a_100000211992_100011215641 [0,2,0,0,0,0|0,0,2]=4 2944 B10R0.3 CCCC(=O)CCNC(=O)C 1458a_100000183196_100000210303 [0,2,0,0,0,0|1,0,1]=4 2945 B10R0.3 CCCC(=O)CCNC(=O)C 1458a_100000211992_100000189650 [0,2,0,0,0,0|1,0,1]=4 2946 B10R0.3 CCCC(=O)CCOC(=O)C 1458a_100000211992_100009814007 [0,2,0,0,0,0|1,0,1]=4 2947 B10R0.3 CCCC(=O)CCSC(=O)C 1458a_100000048949_100000210303 [0,2,0,0,0,0|1,0,1]=4 2948 B10R0.3 CCCC(C)C=NNC(=O)C 4a_100000189765_100000243154 [0,2,0,0,0,0|1,0,0]=3 2949 B10R0.3 CCCC(C)COCC(=O)C 34a_100000211253_100011216630 [0,2,0,0,0,0|0,0,2]=4 2950 B10R0.3 CCCC(C)NCC=C(C)C 2230a_100000741246_100000761012 [0,2,0,0,0,0|1,0,1]=4 2951 B10R0.3 CCCC(C)NCC=C(C)C 270004a_100000718196_100000211909 [0,2,0,0,0,0|1,0,1]=4 2952 B10R0.3 CCCC(C)NCC=C(C)C 34a_100000718196_100000766640 [0,2,0,0,0,0|1,0,1]=4 2953 B10R0.3 CCCC(C)OCC=C(C)C 34a_100000753907_100000766640 [0,2,0,0,0,0|1,0,1]=4 2954 B10R0.3 CCCC(C)OCC=C(C)C 34a_100000764384_100000761012 [0,2,0,0,0,0|1,0,1]=4 2955 B10R0.3 CCCC(C)OCC=C(C)C 7a_100000764384_100000761012 [0,2,0,0,0,0|1,0,1]=4 2956 B10R0.3 CCCC(C)OCCC(=O)C 34a_100000759926_100000766640 [0,2,0,0,0,0|0,0,2]=4 2957 B10R0.3 CCCC(C)OCCC(=O)C 7a_100000759926_100000766640 [0,2,0,0,0,0|0,0,2]=4 2958 B10R0.3 CCCC(C)OCCC(=O)C 7a_100000764384_100000053229 [0,2,0,0,0,0|0,0,2]=4 2959 B10R0.3 CCCC(C)OCOC(=O)C 34a_100000764384_100009813279 [0,2,0,0,0,0|1,0,1]=4 2960 B10R0.3 CCCC(C)SCC=C(C)C 62a_100000761012_100000766640 [0,2,0,0,0,0|1,0,1]=4 2961 B10R0.3 CCCC(C)SCC=C(C)C 62a_100000766640_100000761012 [0,2,0,0,0,0|1,0,1]=4 2962 B10R0.3 CCCC(C)SCCC(=O)C 62a_100000053229_100000766640 [0,2,0,0,0,0|0,0,2]=4 2963 B10R0.3 CCCC(C)SCCC(=O)C 62a_100000766640_100000053229 [0,2,0,0,0,0|0,0,2]=4 2964 B10R0.3 CCCC(C)SCOC(=O)C 62a_100000076356_100000766640 [0,2,0,0,0,0|1,0,1]=4 2965 B10R0.3 CCCC(C)SCOC(=O)C 62a_100000766640_100000076356 [0,2,0,0,0,0|1,0,1]=4 2966 B10R0.3 CCCN(C)CCC=C(C)C 2230a_100000747261_100011217483 [0,2,0,0,0,0|1,0,1]=4 2967 B10R0.3 CCCN(C)CCC=C(C)C 269982a_100000747261_100011217483 [0,2,0,0,0,0|1,0,1]=4 2968 B10R0.3 CCCN(C)CCCC(=O)C 269982a_100000747261_100011215641 [0,2,0,0,0,0|0,0,2]=4 2969 B10R0.3 CCCN(C)CCNC(=O)C 2230a_100000747261_100000189650 [0,2,0,0,0,0|1,0,1]=4 2970 B10R0.3 CCCN(C)CCNC(=O)C 269982a_100000747261_100000189650 [0,2,0,0,0,0|1,0,1]=4 2971 B10R0.3 CCCN(C)CCOC(=O)C 269982a_100000747261_100009814007 [0,2,0,0,0,0|1,0,1]=4 2972 B10R0.3 CCNC(C)CCC=C(C)C 270004a_100015525214_100000765506 [0,2,0,0,0,0|1,0,1]=4 2973 B10R0.3 CCOC(C)CCC=C(C)C 34a_100102619829_100000210202 [0,2,0,0,0,0|1,0,1]=4 2974 B10R0.3 CCOC(C)CCC=C(C)C 7a_100102619829_100000210202 [0,2,0,0,0,0|1,0,1]=4 2975 B10R0.3 CNCC(C)CCC=C(C)C 270004a_106832991635_100000033009 [0,2,0,0,0,0|1,0,1]=4 2976 B10R0.3 COCC(O)COCC(=O)C 34a_100000211253_100011215053 [0,2,0,0,0,0|1,0,1]=4 2977 B10R0.3 CSCC(O)CNNC(=O)C 22a_200000122717_100000070787 [0,2,0,0,0,0|2,0,0]=4 2978 B10R0.44 C=C(C)CC(=O)CC(C)CC 1458a_100000708755_100000748629 [0,2,0,0,0,0|1,0,1]=4 2979 B10R0.44 C=C(C)CC(=O)CC(O)CC 1458a_100011667805_100000748629 [0,2,0,0,0,0|1,0,1]=4 2980 B10R0.44 CC(=CC(=O)C[C@@H](C)CO)C 1458a_100000211388_100000059175 [0,2,0,0,0,0|2,0,0]=4 2981 B10R0.44 CC(=CC(=O)C[C@@H](C)CO)Cl 1458a_200042562850_100000059175 [0,2,0,0,0,0|2,0,0]=4 2982 B10R0.44 CC(=CC(=O)C[C@@H](C)CO)I 1458a_100025716642_100000059175 [0,2,0,0,0,0|2,0,0]=4 2983 B10R0.44 CCC(=O)CC(=O)C=C(C)C 1458a_100000211388_100000747405 [0,2,0,0,0,0|1,0,1]=4 2984 B10R0.44 CCC(=O)CC(=O)C=C(C)Cl 1458a_200042562850_100000747405 [0,2,0,0,0,0|1,0,1]=4 2985 B10R0.44 CCC(=O)CC(=O)C=C(C)I 1458a_100025716642_100000747405 [0,2,0,0,0,0|1,0,1]=4 2986 B10R0.44 CCC(=O)CC(=O)NC(=O)C 1458a_100000210414_100000183797 [0,2,0,0,0,0|1,0,1]=4 2987 B10R0.44 CCC(C)CC(=O)C=C(C)C 1458a_100000211388_100000748023 [0,2,0,0,0,0|1,0,0]=3 2988 B10R0.44 CCC(C)CC(=O)C=C(C)Cl 1458a_200042562850_100000748023 [0,2,0,0,0,0|1,0,0]=3 2989 B10R0.44 CCC(C)CC(=O)C=C(C)I 1458a_100025716642_100000748023 [0,2,0,0,0,0|1,0,0]=3 2990 B10R0.44 CCC(C)CC(=O)C=C(Cl)Cl 1458a_100000137448_100000748023 [0,2,0,0,0,0|2,0,0]=4 2991 B10R0.44 CCC(C)CC(=O)CC(=O)N 1458a_100000708755_100000187820 [0,2,0,0,0,0|1,0,1]=4 2992 B10R0.44 CCC(C)CC(=O)CC(=O)N 1458a_100134613110_100000748023 [0,2,0,0,0,0|1,0,1]=4 2993 B10R0.44 CCC(C)CC(=O)CC(=O)[O-] 1458a_100000708755_100020667443 [0,2,0,0,0,0|1,0,1]=4 2994 B10R0.44 CCC(C)CC(C)NC(=O)C 11a_100000763565_100015343762 [0,2,0,0,0,0|1,0,1]=4 2995 B10R0.44 CCC(C)CC(C)NC(=O)C 1626a_100000763565_100015343762 [0,2,0,0,0,0|1,0,1]=4 2996 B10R0.44 CCC(C)CC(C)NC(=O)C 240690a_100000763565_100015343762 [0,2,0,0,0,0|1,0,1]=4 2997 B10R0.44 CCC(C)CC(C)NC(=O)C 527a_100000763565_100103153847 [0,2,0,0,0,0|1,0,1]=4 2998 B10R0.44 CCC(C)NC(=O)C=C(C)C 11a_100000209981_100000211388 [0,2,0,0,0,0|2,0,0]=4 2999 B10R0.44 CCC(C)NC(=O)C=C(C)C 1626a_100000209981_100000211388 [0,2,0,0,0,0|2,0,0]=4 3000 B10R0.44 CCC(C)NC(=O)C=C(C)C 240690a_100000209981_100000211388 [0,2,0,0,0,0|2,0,0]=4 3001 B10R0.44 CCC(C)NC(=O)C=C(C)Cl 11a_100000209981_200042562850 [0,2,0,0,0,0|2,0,0]=4 3002 B10R0.44 CCC(C)NC(=O)C=C(C)Cl 1626a_100000209981_200042562850 [0,2,0,0,0,0|2,0,0]=4 3003 B10R0.44 CCC(C)NC(=O)C=C(C)Cl 240690a_100000209981_200042562850 [0,2,0,0,0,0|2,0,0]=4 3004 B10R0.44 CCC(C)NC(=O)C=C(C)I 11a_100000209981_100025716642 [0,2,0,0,0,0|2,0,0]=4 3005 B10R0.44 CCC(C)NC(=O)C=C(C)I 1626a_100000209981_100025716642 [0,2,0,0,0,0|2,0,0]=4 3006 B10R0.44 CCC(C)NC(=O)CC(=O)C 1458a_100000070787_100000182745 [0,2,0,0,0,0|1,0,1]=4 3007 B10R0.44 CCC(O)CC(=O)C=C(C)C 1458a_100000211388_100011218378 [0,2,0,0,0,0|1,0,0]=3 3008 B10R0.44 CCC(O)CC(=O)C=C(C)Cl 1458a_200042562850_100011218378 [0,2,0,0,0,0|1,0,0]=3 3009 B10R0.44 CCC(O)CC(=O)C=C(C)I 1458a_100025716642_100011218378 [0,2,0,0,0,0|1,0,0]=3 3010 B10R0.44 CCC(O)CC(=O)C=C(Cl)Cl 1458a_100000137448_100011218378 [0,2,0,0,0,0|2,0,0]=4 3011 B10R0.44 CCC(O)CC(=O)CC(=O)N 1458a_100011667805_100000187820 [0,2,0,0,0,0|1,0,1]=4 3012 B10R0.44 CCC(O)CC(=O)CC(=O)N 1458a_100134613110_100011218378 [0,2,0,0,0,0|1,0,1]=4 3013 B10R0.44 CCC(O)CC(=O)CC(=O)[O-] 1458a_100011667805_100020667443 [0,2,0,0,0,0|1,0,1]=4 3014 B10R0.44 CCN(C)CC(=O)NC(=O)C 269982a_100000225621_100000183797 [0,2,0,0,0,0|2,0,0]=4 3015 B10R0.44 CC[C@H](C)CC(=O)C=C(C)C 1458a_100000211388_100009816398 [0,2,0,0,0,0|1,0,0]=3 3016 B10R0.44 CC[C@H](C)CC(=O)C=C(C)Cl 1458a_200042562850_100009816398 [0,2,0,0,0,0|1,0,0]=3 3017 B10R0.44 CC[C@H](C)CC(=O)C=C(C)I 1458a_100025716642_100009816398 [0,2,0,0,0,0|1,0,0]=3 3018 B10R0.44 CC[C@H](C)CC(=O)C=C(Cl)Cl 1458a_100000137448_100009816398 [0,2,0,0,0,0|2,0,0]=4 3019 B10R0.44 CC[C@H](C)CC(=O)CC(=O)N 1458a_100134613110_100009816398 [0,2,0,0,0,0|1,0,1]=4 3020 B10R0.59 CCC(=O)COCC(C)CC 34a_100000725409_100000748023 [0,2,0,0,0,0|1,0,1]=4 3021 B10R0.59 CCC(=O)COCC(O)CC 34a_100000725409_100011218378 [0,2,0,0,0,0|1,0,1]=4 3022 B10R0.59 CCC(=O)COC[C@@H](C)CC 34a_100000725409_100009816398 [0,2,0,0,0,0|1,0,1]=4 3023 B10R0.59 CCC(=O)COC[C@@H](C)CC 7a_100009816381_100000747405 [0,2,0,0,0,0|1,0,1]=4 3024 B10R0.59 CCC(=O)CSCC(C)CC 62a_100000747405_100000748023 [0,2,0,0,0,0|1,0,1]=4 3025 B10R0.59 CCC(=O)CSCC(C)CC 62a_100000748023_100000747405 [0,2,0,0,0,0|1,0,1]=4 3026 B10R0.59 CCC(=O)CSCC(O)CC 62a_100000747405_100011218378 [0,2,0,0,0,0|1,0,1]=4 3027 B10R0.59 CCC(=O)CSCC(O)CC 62a_100011218378_100000747405 [0,2,0,0,0,0|1,0,1]=4 3028 B10R0.59 CCC(=O)CSC[C@@H](C)CC 62a_100000747405_100009816398 [0,2,0,0,0,0|1,0,1]=4 3029 B10R0.59 CCC(=O)CSC[C@@H](C)CC 62a_100009816398_100000747405 [0,2,0,0,0,0|1,0,1]=4 3030 B10R0.59 CCC(=O)NCCC(C)CC 11a_100020591266_100000210414 [0,2,0,0,0,0|1,0,1]=4 3031 B10R0.59 CCC(=O)NCCC(C)CC 1626a_100020591266_100000210414 [0,2,0,0,0,0|1,0,1]=4 3032 B10R0.59 CCC(=O)NCCC(C)CC 240690a_100020591266_100000210414 [0,2,0,0,0,0|1,0,1]=4 3033 B10R0.59 CCC(=O)NCCC(C)CC 527a_100020591266_100000210414 [0,2,0,0,0,0|1,0,1]=4 3034 B10R0.59 CCC(=O)NNCC(O)CC 22a_100015206393_100000210414 [0,2,0,0,0,0|2,0,0]=4 3035 B10R0.59 CCC(C)CCNC(=O)CO 240690a_100020591266_100000210174 [0,2,0,0,0,0|1,0,1]=4 3036 B10R0.59 CCC(C)CCNC(=O)CO 527a_100020591266_100000210174 [0,2,0,0,0,0|1,0,1]=4 3037 B10R0.59 CCC(C)CCNC(=O)NC 2708a_100020591266_106832991635 [0,2,0,0,0,0|1,0,1]=4 3038 B10R0.59 CCC(C)CCNC(=O)NC 2708a_100102657272_100020591266 [0,2,0,0,0,0|1,0,1]=4 3039 B10R0.59 CCC(C)CCNC(=O)NC 273464a_100020591266_100102657272 [0,2,0,0,0,0|1,0,1]=4 3040 B10R0.59 CCC(C)CCNC(=O)NC 273464a_100102657272_100020591266 [0,2,0,0,0,0|1,0,1]=4 3041 B10R0.59 CCC(C)CCNC(=O)NC 512a_100020591266_100102657272 [0,2,0,0,0,0|1,0,1]=4 3042 B10R0.59 CCC(C)CCNC(=O)NC 512a_106832991638_100020591266 [0,2,0,0,0,0|1,0,1]=4 3043 B10R0.59 CCC(C)CNCC(=O)NC 2230a_100000693194_100000748023 [0,2,0,0,0,0|1,0,1]=4 3044 B10R0.59 CCC(C)CNCC(=O)NC 2230a_100020588543_100000183359 [0,2,0,0,0,0|1,0,1]=4 3045 B10R0.59 CCC(C)CNCC(=O)NC 270004a_100000693194_100000243153 [0,2,0,0,0,0|1,0,1]=4 3046 B10R0.59 CCC(C)CNCC(=O)OC 2230a_100020588543_100000747449 [0,2,0,0,0,0|1,0,1]=4 3047 B10R0.59 CCC(C)COCC(=O)NC 34a_100000750040_100000748023 [0,2,0,0,0,0|1,0,1]=4 3048 B10R0.59 CCC(C)CSCC(=O)NC 62a_100000183359_100000748023 [0,2,0,0,0,0|1,0,1]=4 3049 B10R0.59 CCC(C)CSCC(=O)NC 62a_100000748023_100000183359 [0,2,0,0,0,0|1,0,1]=4 3050 B10R0.59 CCC(C)CSCC(=O)OC 62a_100000747449_100000748023 [0,2,0,0,0,0|1,0,1]=4 3051 B10R0.59 CCC(C)CSCC(=O)OC 62a_100000748023_100000747449 [0,2,0,0,0,0|1,0,1]=4 3052 B10R0.59 CCC(C)NN=CC(=O)OC 4a_100000718999_200011823558 [0,2,0,0,0,0|2,0,0]=4 3053 B10R0.59 CCC(O)CNCC(=O)NC 2230a_100000693194_100011218378 [0,2,0,0,0,0|1,0,1]=4 3054 B10R0.59 CCC(O)CNCC(=O)NC 2230a_100011218483_100000183359 [0,2,0,0,0,0|1,0,1]=4 3055 B10R0.59 CCC(O)CNCC(=O)OC 2230a_100011218483_100000747449 [0,2,0,0,0,0|1,0,1]=4 3056 B10R0.59 CCC(O)CNNC(=O)CO 22a_100015206393_100000210174 [0,2,0,0,0,0|2,0,0]=4 3057 B10R0.59 CCC(O)CNNC(=O)NC 273464a_100102657272_100015206393 [0,2,0,0,0,0|2,0,0]=4 3058 B10R0.59 CCC(O)CNNC(=O)NC 512a_100015206393_100102657272 [0,2,0,0,0,0|2,0,0]=4 3059 B10R0.59 CCC(O)CNNC(=O)NC 512a_106832991638_100015206393 [0,2,0,0,0,0|2,0,0]=4 3060 B10R0.59 CCC(O)COCC(=O)NC 34a_100000750040_100011218378 [0,2,0,0,0,0|1,0,1]=4 3061 B10R0.59 CCC(O)CSCC(=O)NC 62a_100000183359_100011218378 [0,2,0,0,0,0|1,0,1]=4 3062 B10R0.59 CCC(O)CSCC(=O)NC 62a_100011218378_100000183359 [0,2,0,0,0,0|1,0,1]=4 3063 B10R0.59 CCC(O)CSCC(=O)OC 62a_100000747449_100011218378 [0,2,0,0,0,0|1,0,1]=4 3064 B10R0.59 CCC(O)CSCC(=O)OC 62a_100011218378_100000747449 [0,2,0,0,0,0|1,0,1]=4 3065 B10R0.59 CCN(C)C/C=C/C(=O)OC 2230a_100000225621_100000742655 [0,2,0,0,0,0|1,0,0]=3 3066 B10R0.59 CCN(C)C/C=C/C(=O)OC 269982a_100000225621_100000742655 [0,2,0,0,0,0|1,0,0]=3 3067 B10R0.59 CC[C@H](C)CNCC(=O)NC 2230a_100000693194_100009816398 [0,2,0,0,0,0|1,0,1]=4 3068 B10R0.59 CC[C@H](C)COCC(=O)NC 34a_100000750040_100009816398 [0,2,0,0,0,0|1,0,1]=4 3069 B10R0.59 CC[C@H](C)COCC(=O)NC 7a_100009816381_100000183359 [0,2,0,0,0,0|1,0,1]=4 3070 B10R0.59 CC[C@H](C)COCC(=O)OC 7a_100009816381_100000747449 [0,2,0,0,0,0|1,0,1]=4 3071 B10R0.59 CC[C@H](C)CSCC(=O)NC 62a_100000183359_100009816398 [0,2,0,0,0,0|1,0,1]=4 3072 B10R0.59 CC[C@H](C)CSCC(=O)NC 62a_100009816398_100000183359 [0,2,0,0,0,0|1,0,1]=4 3073 B10R0.59 CC[C@H](C)CSCC(=O)OC 62a_100000747449_100009816398 [0,2,0,0,0,0|1,0,1]=4 3074 B10R0.59 CC[C@H](C)CSCC(=O)OC 62a_100009816398_100000747449 [0,2,0,0,0,0|1,0,1]=4 3075 B10R0.77 CCC(CC)COCC(=O)C 34a_100000211253_100011215472 [0,2,0,0,0,0|1,0,1]=4 3076 B10R0.82 C=C(C)C(=O)NCC(C)CC 11a_100020588543_100000185857 [0,2,0,0,0,0|2,0,0]=4 3077 B10R0.82 C=C(C)C(=O)NCC(C)CC 1626a_100020588543_100000185857 [0,2,0,0,0,0|2,0,0]=4 3078 B10R0.82 C=C(C)C(=O)NCC(O)CC 11a_100011218483_100000185857 [0,2,0,0,0,0|2,0,0]=4 3079 B10R0.82 CCC(C)CNC(=O)C(=O)N 240690a_100020588543_100011215815 [0,2,0,0,0,0|2,0,0]=4 3080 B10R0.82 CCC(C)CNC(C)C(=O)C 2230a_100020588543_100009814033 [0,2,0,0,0,0|1,0,1]=4 3081 B10R0.82 CCC(C)COC(C)C(=O)C 34a_100000212229_100000748023 [0,2,0,0,0,0|1,0,1]=4 3082 B10R0.82 CCC(C)CSC(C)C(=O)C 62a_100000748023_100009814033 [0,2,0,0,0,0|1,0,1]=4 3083 B10R0.82 CCC(C)CSC(C)C(=O)C 62a_100009814033_100000748023 [0,2,0,0,0,0|1,0,1]=4 3084 B10R0.82 CCC(C)SCC(=O)C(=O)C 62a_100000758301_100011261029 [0,2,0,0,0,0|1,0,1]=4 3085 B10R0.82 CCC(C)SCC(=O)C(=O)C 62a_100011261029_100000758301 [0,2,0,0,0,0|1,0,1]=4 3086 B10R0.82 CCC(O)CNC(=O)C(=O)N 240690a_100011218483_100011215815 [0,2,0,0,0,0|2,0,0]=4 3087 B10R0.82 CCC(O)CNC(C)C(=O)C 2230a_100011218483_100009814033 [0,2,0,0,0,0|1,0,1]=4 3088 B10R0.82 CCC(O)COC(C)C(=O)C 34a_100000212229_100011218378 [0,2,0,0,0,0|1,0,1]=4 3089 B10R0.82 CCC(O)CSC(C)C(=O)C 62a_100009814033_100011218378 [0,2,0,0,0,0|1,0,1]=4 3090 B10R0.82 CCC(O)CSC(C)C(=O)C 62a_100011218378_100009814033 [0,2,0,0,0,0|1,0,1]=4 3091 B10R0.82 CC[C@H](C)COC(C)C(=O)C 34a_100000212229_100009816398 [0,2,0,0,0,0|1,0,1]=4 3092 B10R0.82 CC[C@H](C)COC(C)C(=O)C 7a_100009816381_100000179758 [0,2,0,0,0,0|1,0,1]=4 3093 B10R0.82 CC[C@H](C)CSC(C)C(=O)C 62a_100009814033_100009816398 [0,2,0,0,0,0|1,0,1]=4 3094 B10R0.82 CC[C@H](C)CSC(C)C(=O)C 62a_100009816398_100009814033 [0,2,0,0,0,0|1,0,1]=4 3095 B10R0.98 C=C(C)C(=O)CCCC(C)C 1458a_100000185857_100011214892 [0,2,0,0,0,0|1,0,1]=4 3096 B10R0.98 C=C(C)C(=O)CCCC(C)O 1458a_100000185857_200000718107 [0,2,0,0,0,0|1,0,1]=4 3097 B10R0.98 C=C(C)C(=O)NCCC(C)C 11a_100000210545_100000185857 [0,2,0,0,0,0|2,0,0]=4 3098 B10R0.98 C=C(C)C(=O)NCCC(C)C 1626a_100000210545_100000185857 [0,2,0,0,0,0|2,0,0]=4 3099 B10R0.98 CC(=O)C(=O)CNCC(C)C 34a_100000210953_100011261029 [0,2,0,0,0,0|1,0,1]=4 3100 B10R0.98 CC(=O)C(=O)CNCC(C)O 34a_100000210904_100011261029 [0,2,0,0,0,0|1,0,1]=4 3101 B10R0.98 CC(=O)C(=O)COCC(C)Br 34a_100012180447_100011261029 [0,2,0,0,0,0|1,0,1]=4 3102 B10R0.98 CC(=O)C(=O)COCC(C)C 34a_100000210257_100011261029 [0,2,0,0,0,0|1,0,1]=4 3103 B10R0.98 CC(=O)C(=O)COCC(C)F 34a_100015925927_100011261029 [0,2,0,0,0,0|1,0,1]=4 3104 B10R0.98 CC(=O)C(=O)COC[C@@H](C)Cl 34a_100016084084_100011261029 [0,2,0,0,0,0|1,0,1]=4 3105 B10R0.98 CC(=O)C(=O)COC[C@@H](C)N 34a_100000737577_100011261029 [0,2,0,0,0,0|1,0,1]=4 3106 B10R0.98 CC(=O)C(=O)CSCC(C)C 62a_100000210624_100011261029 [0,2,0,0,0,0|1,0,1]=4 3107 B10R0.98 CC(=O)C(=O)CSCC(C)C 62a_100011261029_100000210760 [0,2,0,0,0,0|1,0,1]=4 3108 B10R0.98 CC(=O)C(=O)CSCC(C)O 62a_100011218427_100011261029 [0,2,0,0,0,0|1,0,1]=4 3109 B10R0.98 CC(=O)C(=O)CSCC(C)O 62a_100011261029_100011218427 [0,2,0,0,0,0|1,0,1]=4 3110 B10R0.98 CC(=O)C(=O)CSC[C@@H](C)O 62a_100009817552_100011261029 [0,2,0,0,0,0|1,0,1]=4 3111 B10R0.98 CC(=O)C(=O)CSC[C@@H](C)O 62a_100011261029_100009817552 [0,2,0,0,0,0|1,0,1]=4 3112 B10R0.98 CC(=O)C(C)NCCC(C)O 2230a_200000755665_100009814033 [0,2,0,0,0,0|1,0,1]=4 3113 B10R0.98 CC(=O)C(C)OCCC(C)C 34a_100000212229_100000210312 [0,2,0,0,0,0|1,0,1]=4 3114 B10R0.98 CC(=O)C(C)OCCC(C)C 7a_100000210254_100000179758 [0,2,0,0,0,0|1,0,1]=4 3115 B10R0.98 CC(=O)C(C)OCCC(C)O 34a_100000212229_100012276601 [0,2,0,0,0,0|1,0,1]=4 3116 B10R0.98 CC(=O)C(C)SCCC(C)C 62a_100000210312_100009814033 [0,2,0,0,0,0|1,0,1]=4 3117 B10R0.98 CC(=O)C(C)SCCC(C)C 62a_100009814033_100000210312 [0,2,0,0,0,0|1,0,1]=4 3118 B10R0.98 CC(=O)C(C)SCCC(C)O 62a_100009814033_100012276601 [0,2,0,0,0,0|1,0,1]=4 3119 B10R0.98 CC(=O)C(C)SCCC(C)O 62a_100012276601_100009814033 [0,2,0,0,0,0|1,0,1]=4 3120 B10R0.98 CC(C)CCNC(=O)C(=O)N 240690a_100000210545_100011215815 [0,2,0,0,0,0|2,0,0]=4 3121 B10R0.98 CC(O)CCNC(=O)C(=O)N 240690a_200000755665_100011215815 [0,2,0,0,0,0|2,0,0]=4 3122 B10R0.4 C#CCCCCCCC(=O)C 1458a_100000034748_200000210301 [0,2,0,0,0,0|0,0,2]=4 3123 B10R0.4 C#CCCCCCCC(=O)C 1458a_100000070787_100012276617 [0,2,0,0,0,0|0,0,2]=4 3124 B10R0.4 C#CCCCCCCC(=O)[13CH3] 1458a_100000034748_200025704644 [0,2,0,0,0,0|0,0,2]=4 3125 B10R0.4 C#CCCCCOCC(=O)C 34a_100000211253_100010269958 [0,2,0,0,0,0|1,0,1]=4 3126 B10R0.4 C=C(C)C=NNCCCCC 4a_100000694160_100000210575 [0,2,0,0,0,0|1,0,1]=4 3127 B10R0.4 C=C(C)C=NNCCOCC 4a_100000732670_100000210575 [0,2,0,0,0,0|2,0,0]=4 3128 B10R0.4 C=CCCCCCCC(=O)C 1458a_100000070787_100011215473 [0,2,0,0,0,0|0,0,2]=4 3129 B10R0.4 C=CCCCCCCC(=O)C 1458a_100011809334_200000210301 [0,2,0,0,0,0|0,0,2]=4 3130 B10R0.4 C=CCCCCCCC(=O)[13CH3] 1458a_100011809334_200025704644 [0,2,0,0,0,0|0,0,2]=4 3131 B10R0.4 C=CCCCCOCC(=O)C 34a_100000211253_100011215482 [0,2,0,0,0,0|1,0,1]=4 3132 B10R0.4 CC(=CCCNCCCF)C 2230a_100015189416_100011217483 [0,2,0,0,0,0|1,0,1]=4 3133 B10R0.4 CC(=CCCNCCCF)C 34a_100015189416_100011217483 [0,2,0,0,0,0|1,0,1]=4 3134 B10R0.4 CC(=CCCOCCCBr)C 34a_100011217188_100011217483 [0,2,0,0,0,0|1,0,1]=4 3135 B10R0.4 CC(=CCCOCCCCl)C 34a_100000230001_100011217483 [0,2,0,0,0,0|1,0,1]=4 3136 B10R0.4 CC(=CCCOCCCF)C 34a_100000759539_100011217483 [0,2,0,0,0,0|1,0,1]=4 3137 B10R0.4 CC(=CCCOCCCN)C 34a_100000182051_100011217483 [0,2,0,0,0,0|1,0,1]=4 3138 B10R0.4 CC(=CCCSCCCF)C 62a_100011217483_100011934791 [0,2,0,0,0,0|1,0,1]=4 3139 B10R0.4 CC(=CCCSCCCF)C 62a_100011934791_100011217483 [0,2,0,0,0,0|1,0,1]=4 3140 B10R0.4 CC(=CCCSCCCO)C 62a_100011215043_100011217483 [0,2,0,0,0,0|1,0,1]=4 3141 B10R0.4 CC(=CCCSCCCO)C 62a_100011217483_100011215043 [0,2,0,0,0,0|1,0,1]=4 3142 B10R0.4 CC(=CCNCCCCF)C 34a_100000718196_100000729493 [0,2,0,0,0,0|1,0,1]=4 3143 B10R0.4 CC(=CCNCCCCO)C 2230a_100000750430_100000761012 [0,2,0,0,0,0|1,0,1]=4 3144 B10R0.4 CC(=CCNCCCCO)C 34a_100000718196_100011216708 [0,2,0,0,0,0|1,0,1]=4 3145 B10R0.4 CC(=CCNCCCCO)C 34a_100000750430_100000761012 [0,2,0,0,0,0|1,0,1]=4 3146 B10R0.4 CC(=CCOCCCCBr)C 34a_100011216708_100000761012 [0,2,0,0,0,0|1,0,1]=4 3147 B10R0.4 CC(=CCOCCCCCl)C 34a_100000210776_100000761012 [0,2,0,0,0,0|1,0,1]=4 3148 B10R0.4 CC(=CCOCCCCCl)C 7a_100000210776_100000761012 [0,2,0,0,0,0|1,0,1]=4 3149 B10R0.4 CC(=CCOCCCCF)C 34a_100000753907_100000729493 [0,2,0,0,0,0|1,0,1]=4 3150 B10R0.4 CC(=CCOCCCCF)C 34a_100011995726_100000761012 [0,2,0,0,0,0|1,0,1]=4 3151 B10R0.4 CC(=CCOCCCCF)C 7a_100011995726_100000761012 [0,2,0,0,0,0|1,0,1]=4 3152 B10R0.4 CC(=CCOCCCCI)C 34a_200012148704_100000761012 [0,2,0,0,0,0|1,0,1]=4 3153 B10R0.4 CC(=CCOCCCCN)C 34a_100000750430_100000761012 [0,2,0,0,0,0|1,0,1]=4 3154 B10R0.4 CC(=CCOCCCCO)C 34a_100000753907_100011216708 [0,2,0,0,0,0|1,0,1]=4 3155 B10R0.4 CC(=CCSCCCCF)C 62a_100000729493_100000761012 [0,2,0,0,0,0|1,0,1]=4 3156 B10R0.4 CC(=CCSCCCCF)C 62a_100000761012_100000729493 [0,2,0,0,0,0|1,0,1]=4 3157 B10R0.4 CC(=CCSCCCCO)C 62a_100000210776_100000761012 [0,2,0,0,0,0|1,0,1]=4 3158 B10R0.4 CC(=CCSCCCCO)C 62a_100000761012_100000210776 [0,2,0,0,0,0|1,0,1]=4 3159 B10R0.4 CC(=O)CCCCCCC#N 1458a_100000070787_100009813337 [0,2,0,0,0,0|0,0,2]=4 3160 B10R0.4 CC(=O)CCCCCCCO 1458a_100000070787_100000760002 [0,2,0,0,0,0|0,0,2]=4 3161 B10R0.4 CC(=O)CCCCCCCO 1458a_100011219782_200000210301 [0,2,0,0,0,0|0,0,2]=4 3162 B10R0.4 CC(=O)CCCCNCCF 34a_100000724931_100009817362 [0,2,0,0,0,0|0,0,2]=4 3163 B10R0.4 CC(=O)CCCCNCCO 34a_100016990907_100009817362 [0,2,0,0,0,0|0,0,2]=4 3164 B10R0.4 CC(=O)CCCCOCCBr 34a_100000211926_100009817362 [0,2,0,0,0,0|0,0,2]=4 3165 B10R0.4 CC(=O)CCCCOCCN 34a_100000210304_100009817362 [0,2,0,0,0,0|0,0,2]=4 3166 B10R0.4 CC(=O)CCCCSCCF 62a_100000735457_100011217306 [0,2,0,0,0,0|0,0,2]=4 3167 B10R0.4 CC(=O)CCCCSCCF 62a_100011217306_100000735457 [0,2,0,0,0,0|0,0,2]=4 3168 B10R0.4 CC(=O)CCCCSCCO 62a_100000211926_100000735457 [0,2,0,0,0,0|0,0,2]=4 3169 B10R0.4 CC(=O)CCCCSCCO 62a_100000735457_100000211926 [0,2,0,0,0,0|0,0,2]=4 3170 B10R0.4 CC(=O)CCCNCCCF 34a_100015189416_100000685027 [0,2,0,0,0,0|0,0,2]=4 3171 B10R0.4 CC(=O)CCCOCCCBr 34a_100011217188_100000685027 [0,2,0,0,0,0|0,0,2]=4 3172 B10R0.4 CC(=O)CCCOCCCCl 34a_100000230001_100000685027 [0,2,0,0,0,0|0,0,2]=4 3173 B10R0.4 CC(=O)CCCOCCCF 34a_100000759063_100011934791 [0,2,0,0,0,0|0,0,2]=4 3174 B10R0.4 CC(=O)CCCOCCCF 34a_100000759539_100000685027 [0,2,0,0,0,0|0,0,2]=4 3175 B10R0.4 CC(=O)CCCOCCCF 7a_100000759063_100011934791 [0,2,0,0,0,0|0,0,2]=4 3176 B10R0.4 CC(=O)CCCOCCCN 34a_100000182051_100000685027 [0,2,0,0,0,0|0,0,2]=4 3177 B10R0.4 CC(=O)CCCOCCCO 34a_100000759063_100000230001 [0,2,0,0,0,0|0,0,2]=4 3178 B10R0.4 CC(=O)CCCOCCCO 7a_100000759063_100011215043 [0,2,0,0,0,0|0,0,2]=4 3179 B10R0.4 CC(=O)CCCSCCCF 62a_100011215641_100011934791 [0,2,0,0,0,0|0,0,2]=4 3180 B10R0.4 CC(=O)CCCSCCCF 62a_100011934791_100011215641 [0,2,0,0,0,0|0,0,2]=4 3181 B10R0.4 CC(=O)CCCSCCCO 62a_100011215043_100011215641 [0,2,0,0,0,0|0,0,2]=4 3182 B10R0.4 CC(=O)CCCSCCCO 62a_100011215641_100011215043 [0,2,0,0,0,0|0,0,2]=4 3183 B10R0.4 CC(=O)CCOCCCCCl 7a_100000210776_100000053229 [0,2,0,0,0,0|0,0,2]=4 3184 B10R0.4 CC(=O)CCOCCCCF 34a_100000759926_100000729493 [0,2,0,0,0,0|0,0,2]=4 3185 B10R0.4 CC(=O)CCOCCCCF 7a_100000759926_100000729493 [0,2,0,0,0,0|0,0,2]=4 3186 B10R0.4 CC(=O)CCOCCCCF 7a_100011995726_100000053229 [0,2,0,0,0,0|0,0,2]=4 3187 B10R0.4 CC(=O)CCOCCCCO 34a_100000759926_100011216708 [0,2,0,0,0,0|0,0,2]=4 3188 B10R0.4 CC(=O)CCOCCCCO 7a_100000759926_100000210776 [0,2,0,0,0,0|0,0,2]=4 3189 B10R0.4 CC(=O)CCSCCCCF 62a_100000053229_100000729493 [0,2,0,0,0,0|0,0,2]=4 3190 B10R0.4 CC(=O)CCSCCCCF 62a_100000729493_100000053229 [0,2,0,0,0,0|0,0,2]=4 3191 B10R0.4 CC(=O)CCSCCCCO 62a_100000053229_100000210776 [0,2,0,0,0,0|0,0,2]=4 3192 B10R0.4 CC(=O)CCSCCCCO 62a_100000210776_100000053229 [0,2,0,0,0,0|0,0,2]=4 3193 B10R0.4 CC(=O)COCCCCCF 34a_100000211253_100000729378 [0,2,0,0,0,0|0,0,2]=4 3194 B10R0.4 CC(=O)COCCCCCO 34a_100000211253_100000746330 [0,2,0,0,0,0|0,0,2]=4 3195 B10R0.4 CC(=O)COCCOCCO 1458a_106645077154_200000210301 [0,2,0,0,0,0|1,0,1]=4 3196 B10R0.4 CC(=O)COCCOCCO 34a_100000211253_100000692535 [0,2,0,0,0,0|1,0,1]=4 3197 B10R0.4 CC(=O)NCCCCCC#N 11a_100000061152_100015343762 [0,2,0,0,0,0|1,0,1]=4 3198 B10R0.4 CC(=O)NCCCCCC#N 1626a_100000061152_100015343762 [0,2,0,0,0,0|1,0,1]=4 3199 B10R0.4 CC(=O)NCCCCCC#N 240690a_100000061152_100015343762 [0,2,0,0,0,0|1,0,1]=4 3200 B10R0.4 CC(=O)NCCCCCC#N 527a_100000061152_100103153847 [0,2,0,0,0,0|1,0,1]=4 3201 B10R0.4 CC(=O)NCCCCCCO 240690a_100000686447_100015343762 [0,2,0,0,0,0|0,0,2]=4 3202 B10R0.4 CC(=O)NCCCCCCO 527a_100000686447_100103153847 [0,2,0,0,0,0|0,0,2]=4 3203 B10R0.4 CC(=O)NCCCCCN[13CH3] 2230a_200012022750_200025704644 [0,2,0,0,0,0|0,0,2]=4 3204 B10R0.4 CC(=O)NCCCCCN[13CH3] 34a_200012022750_200025704644 [0,2,0,0,0,0|0,0,2]=4 3205 B10R0.4 CC(=O)NCCCCNCF 34a_200011368371_100015361967 [0,2,0,0,0,0|1,0,1]=4 3206 B10R0.4 CC(=O)NCCCNCCF 34a_100000736810_100011217306 [0,2,0,0,0,0|1,0,1]=4 3207 B10R0.4 CC(=O)NCCCNCCO 34a_100000736810_100000211926 [0,2,0,0,0,0|1,0,1]=4 3208 B10R0.4 CC(=O)NCCCOCCF 34a_100000752032_100011217306 [0,2,0,0,0,0|1,0,1]=4 3209 B10R0.4 CC(=O)NCCCOCCO 34a_100000752032_100000211926 [0,2,0,0,0,0|1,0,1]=4 3210 B10R0.4 CC(=O)NCCNCCCF 2230a_100000209853_100011934791 [0,2,0,0,0,0|1,0,1]=4 3211 B10R0.4 CC(=O)NCCNCCCF 2230a_100015189416_100000189650 [0,2,0,0,0,0|1,0,1]=4 3212 B10R0.4 CC(=O)NCCNCCCO 2230a_100000209853_100000230001 [0,2,0,0,0,0|1,0,1]=4 3213 B10R0.4 CC(=O)NCCOCCCF 34a_100000158858_100011934791 [0,2,0,0,0,0|1,0,1]=4 3214 B10R0.4 CC(=O)NCCOCCCO 34a_100000158858_100000230001 [0,2,0,0,0,0|1,0,1]=4 3215 B10R0.4 CC(=O)NCCSCCCF 62a_100000189650_100011934791 [0,2,0,0,0,0|1,0,1]=4 3216 B10R0.4 CC(=O)NCCSCCCF 62a_100011934791_100000189650 [0,2,0,0,0,0|1,0,1]=4 3217 B10R0.4 CC(=O)NCCSCCCO 62a_100000189650_100011215043 [0,2,0,0,0,0|1,0,1]=4 3218 B10R0.4 CC(=O)NCCSCCCO 62a_100011215043_100000189650 [0,2,0,0,0,0|1,0,1]=4 3219 B10R0.4 CC(=O)NN=CCCCCO 4a_100000189765_100000031955 [0,2,0,0,0,0|1,0,0]=3 3220 B10R0.4 CC(=O)OCCCCCS[13CH3] 62a_100000033007_200025704644 [0,2,0,0,0,0|0,0,2]=4 3221 B10R0.4 CC(=O)OCCCCCS[13CH3] 62a_200025704644_100000033007 [0,2,0,0,0,0|0,0,2]=4 3222 B10R0.4 CC(=O)OCCCCOCF 34a_100000073216_100015361967 [0,2,0,0,0,0|1,0,1]=4 3223 B10R0.4 CC(=O)OCCCCOCF 7a_100000073216_100015361967 [0,2,0,0,0,0|1,0,1]=4 3224 B10R0.4 CC(=O)OCCCCSCF 62a_100000033659_100015361967 [0,2,0,0,0,0|1,0,1]=4 3225 B10R0.4 CC(=O)OCCCCSCF 62a_100015361967_100000033659 [0,2,0,0,0,0|1,0,1]=4 3226 B10R0.4 CC(=O)OCCCNCCF 34a_100000724931_100000042594 [0,2,0,0,0,0|1,0,1]=4 3227 B10R0.4 CC(=O)OCCCNCCO 34a_100016990907_100000042594 [0,2,0,0,0,0|1,0,1]=4 3228 B10R0.4 CC(=O)OCCCOCCBr 34a_100000211926_100000042594 [0,2,0,0,0,0|1,0,1]=4 3229 B10R0.4 CC(=O)OCCCOCCN 34a_100000210304_100000042594 [0,2,0,0,0,0|1,0,1]=4 3230 B10R0.4 CC(=O)OCCCSCCF 62a_100000042594_100011217306 [0,2,0,0,0,0|1,0,1]=4 3231 B10R0.4 CC(=O)OCCCSCCF 62a_100011217306_100000042594 [0,2,0,0,0,0|1,0,1]=4 3232 B10R0.4 CC(=O)OCCCSCCO 62a_100000042594_100000211926 [0,2,0,0,0,0|1,0,1]=4 3233 B10R0.4 CC(=O)OCCCSCCO 62a_100000211926_100000042594 [0,2,0,0,0,0|1,0,1]=4 3234 B10R0.4 CC(=O)OCCNCCCF 34a_100015189416_100009814007 [0,2,0,0,0,0|1,0,1]=4 3235 B10R0.4 CC(=O)OCCOCCCBr 34a_100011217188_100009814007 [0,2,0,0,0,0|1,0,1]=4 3236 B10R0.4 CC(=O)OCCOCCCCl 34a_100000230001_100009814007 [0,2,0,0,0,0|1,0,1]=4 3237 B10R0.4 CC(=O)OCCOCCCF 34a_100000759539_100009814007 [0,2,0,0,0,0|1,0,1]=4 3238 B10R0.4 CC(=O)OCCOCCCN 34a_100000182051_100009814007 [0,2,0,0,0,0|1,0,1]=4 3239 B10R0.4 CC(=O)OCCOCCS[13CH3] 62a_200000083610_200025704644 [0,2,0,0,0,0|1,0,1]=4 3240 B10R0.4 CC(=O)OCCOCCS[13CH3] 62a_200025704644_200000083610 [0,2,0,0,0,0|1,0,1]=4 3241 B10R0.4 CC(=O)OCCSCCCF 62a_100009814007_100011934791 [0,2,0,0,0,0|1,0,1]=4 3242 B10R0.4 CC(=O)OCCSCCCF 62a_100011934791_100009814007 [0,2,0,0,0,0|1,0,1]=4 3243 B10R0.4 CC(=O)OCCSCCCO 62a_100009814007_100011215043 [0,2,0,0,0,0|1,0,1]=4 3244 B10R0.4 CC(=O)OCCSCCCO 62a_100011215043_100009814007 [0,2,0,0,0,0|1,0,1]=4 3245 B10R0.4 CC(=O)OCNCCCCO 34a_100000750430_100009813279 [0,2,0,0,0,0|1,0,1]=4 3246 B10R0.4 CC(=O)OCOCCCCBr 34a_100011216708_100009813279 [0,2,0,0,0,0|1,0,1]=4 3247 B10R0.4 CC(=O)OCOCCCCCl 34a_100000210776_100009813279 [0,2,0,0,0,0|1,0,1]=4 3248 B10R0.4 CC(=O)OCOCCCCF 34a_100011995726_100009813279 [0,2,0,0,0,0|1,0,1]=4 3249 B10R0.4 CC(=O)OCOCCCCI 34a_200012148704_100009813279 [0,2,0,0,0,0|1,0,1]=4 3250 B10R0.4 CC(=O)OCOCCCCN 34a_100000750430_100009813279 [0,2,0,0,0,0|1,0,1]=4 3251 B10R0.4 CC(=O)OCSCCCCF 62a_100000076356_100000729493 [0,2,0,0,0,0|1,0,1]=4 3252 B10R0.4 CC(=O)OCSCCCCF 62a_100000729493_100000076356 [0,2,0,0,0,0|1,0,1]=4 3253 B10R0.4 CC(=O)OCSCCCCO 62a_100000076356_100000210776 [0,2,0,0,0,0|1,0,1]=4 3254 B10R0.4 CC(=O)OCSCCCCO 62a_100000210776_100000076356 [0,2,0,0,0,0|1,0,1]=4 3255 B10R0.4 CC(=O)SCCCCSCF 62a_100015361967_200010402107 [0,2,0,0,0,0|1,0,1]=4 3256 B10R0.4 CC(=O)SCCCCSCF 62a_200010402107_100015361967 [0,2,0,0,0,0|1,0,1]=4 3257 B10R0.4 CC(=O)SCCCNCCF 34a_100000724931_100000038929 [0,2,0,0,0,0|1,0,1]=4 3258 B10R0.4 CC(=O)SCCCNCCO 2230a_100016997473_100000038929 [0,2,0,0,0,0|1,0,1]=4 3259 B10R0.4 CC(=O)SCCCNCCO 34a_100016990907_100000038929 [0,2,0,0,0,0|1,0,1]=4 3260 B10R0.4 CC(=O)SCCCOCCBr 34a_100000211926_100000038929 [0,2,0,0,0,0|1,0,1]=4 3261 B10R0.4 CC(=O)SCCCOCCN 34a_100000210304_100000038929 [0,2,0,0,0,0|1,0,1]=4 3262 B10R0.4 CC(=O)SCCCSCCF 62a_100000038929_100011217306 [0,2,0,0,0,0|1,0,1]=4 3263 B10R0.4 CC(=O)SCCCSCCF 62a_100011217306_100000038929 [0,2,0,0,0,0|1,0,1]=4 3264 B10R0.4 CC(=O)SCCCSCCO 62a_100000038929_100000211926 [0,2,0,0,0,0|1,0,1]=4 3265 B10R0.4 CC(=O)SCCCSCCO 62a_100000211926_100000038929 [0,2,0,0,0,0|1,0,1]=4 3266 B10R0.4 CC/C=C\CCOCC(=O)C 34a_100000211253_100015370543 [0,2,0,0,0,0|1,0,1]=4 3267 B10R0.4 CCCC/C=C/COC(C)C 34a_200016272032_100000210206 [0,2,0,0,0,0|1,0,1]=4 3268 B10R0.4 CCCC/C=C/COC(C)C 7a_200016272032_100000210206 [0,2,0,0,0,0|1,0,1]=4 3269 B10R0.4 CCCC=CC=NNC(=O)C 4a_100000189765_100016266791 [0,2,0,0,0,0|0,0,1]=3 3270 B10R0.4 CCCCC/C=C/CC(=O)C 1458a_100020675968_200000210301 [0,2,0,0,0,0|0,0,0]=2 3271 B10R0.4 CCCCC/C=C/CC(=O)[13CH3] 1458a_100020675968_200025704644 [0,2,0,0,0,0|0,0,0]=2 3272 B10R0.4 CCCCCC#CCC(=O)C 1458a_100000070787_100009816472 [0,2,0,0,0,0|0,0,2]=4 3273 B10R0.4 CCCCCC=NNC(=O)C 4a_100000189765_100000737632 [0,2,0,0,0,0|0,0,1]=3 3274 B10R0.4 CCCCCCC=CC(=O)C 1458a_200015324643_200000210301 [0,2,0,0,0,0|0,0,0]=2 3275 B10R0.4 CCCCCCC=CC(=O)[13CH3] 1458a_200015324643_200025704644 [0,2,0,0,0,0|0,0,0]=2 3276 B10R0.4 CCCCCCCCC(=O)C 1458a_100000070787_100000210759 [0,2,0,0,0,0|0,0,2]=4 3277 B10R0.4 CCCCCCCCC(=O)C 1458a_100000210188_200000210301 [0,2,0,0,0,0|0,0,2]=4 3278 B10R0.4 CCCCCCCCC(=O)[13CH3] 1458a_100000210188_200025704644 [0,2,0,0,0,0|0,0,2]=4 3279 B10R0.4 CCCCCCCNC(=O)C 11a_100000229938_100015343762 [0,2,0,0,0,0|0,0,2]=4 3280 B10R0.4 CCCCCCCNC(=O)C 1626a_100000229938_100015343762 [0,2,0,0,0,0|0,0,2]=4 3281 B10R0.4 CCCCCCCNC(=O)C 240690a_100000229938_100015343762 [0,2,0,0,0,0|0,0,2]=4 3282 B10R0.4 CCCCCCCNC(=O)C 527a_100000229938_100103153847 [0,2,0,0,0,0|0,0,2]=4 3283 B10R0.4 CCCCCCOCC(=O)C 34a_100000211253_100000210314 [0,2,0,0,0,0|0,0,2]=4 3284 B10R0.4 CCCCCNCC=C(C)C 2230a_100000209983_100000761012 [0,2,0,0,0,0|1,0,1]=4 3285 B10R0.4 CCCCCNCC=C(C)C 34a_100000718196_100000718602 [0,2,0,0,0,0|1,0,1]=4 3286 B10R0.4 CCCCCOCC=C(C)C 34a_100000210253_100000761012 [0,2,0,0,0,0|1,0,1]=4 3287 B10R0.4 CCCCCOCC=C(C)C 34a_100000753907_100000718602 [0,2,0,0,0,0|1,0,1]=4 3288 B10R0.4 CCCCCOCC=C(C)C 7a_100000210253_100000761012 [0,2,0,0,0,0|1,0,1]=4 3289 B10R0.4 CCCCCOCCC(=O)C 34a_100000759926_100000718602 [0,2,0,0,0,0|0,0,2]=4 3290 B10R0.4 CCCCCOCCC(=O)C 7a_100000210253_100000053229 [0,2,0,0,0,0|0,0,2]=4 3291 B10R0.4 CCCCCOCCC(=O)C 7a_100000759926_100000210326 [0,2,0,0,0,0|0,0,2]=4 3292 B10R0.4 CCCCCOCOC(=O)C 34a_100000210253_100009813279 [0,2,0,0,0,0|0,0,2]=4 3293 B10R0.4 CCCCCSCC=C(C)C 62a_100000210326_100000761012 [0,2,0,0,0,0|1,0,1]=4 3294 B10R0.4 CCCCCSCC=C(C)C 62a_100000761012_100000210326 [0,2,0,0,0,0|1,0,1]=4 3295 B10R0.4 CCCCCSCCC(=O)C 62a_100000053229_100000210326 [0,2,0,0,0,0|0,0,2]=4 3296 B10R0.4 CCCCCSCCC(=O)C 62a_100000210326_100000053229 [0,2,0,0,0,0|0,0,2]=4 3297 B10R0.4 CCCCCSCOC(=O)C 62a_100000076356_100000210326 [0,2,0,0,0,0|0,0,2]=4 3298 B10R0.4 CCCCCSCOC(=O)C 62a_100000210326_100000076356 [0,2,0,0,0,0|0,0,2]=4 3299 B10R0.4 CCCCNCCC=C(C)C 2230a_100000102301_100011217483 [0,2,0,0,0,0|1,0,1]=4 3300 B10R0.4 CCCCNCCC=C(C)C 7a_106832991798_100011217483 [0,2,0,0,0,0|1,0,1]=4 3301 B10R0.4 CCCCNCCCC(=O)C 7a_106832991798_100011215641 [0,2,0,0,0,0|0,0,2]=4 3302 B10R0.4 CCCCNCCNC(=O)C 2230a_100000102301_100000189650 [0,2,0,0,0,0|0,0,2]=4 3303 B10R0.4 CCCCNCCNC(=O)C 2230a_100000209853_100000210211 [0,2,0,0,0,0|0,0,2]=4 3304 B10R0.4 CCCCNCCNC(=O)C 7a_106832991798_100000189650 [0,2,0,0,0,0|0,0,2]=4 3305 B10R0.4 CCCCNCCOC(=O)C 7a_106832991798_100009814007 [0,2,0,0,0,0|0,0,2]=4 3306 B10R0.4 CCCCNN=CC=C(C)C 4a_100025702795_100011215525 [0,2,0,0,0,0|1,0,0]=3 3307 B10R0.4 CCCCOCCC=C(C)C 34a_100000210227_100011217483 [0,2,0,0,0,0|1,0,1]=4 3308 B10R0.4 CCCCOCCC=C(C)C 7a_100000210227_100011217483 [0,2,0,0,0,0|1,0,1]=4 3309 B10R0.4 CCCCOCCCC(=O)C 34a_100000210227_100000685027 [0,2,0,0,0,0|0,0,2]=4 3310 B10R0.4 CCCCOCCCC(=O)C 34a_100000759063_100000210210 [0,2,0,0,0,0|0,0,2]=4 3311 B10R0.4 CCCCOCCCC(=O)C 7a_100000210227_100011215641 [0,2,0,0,0,0|0,0,2]=4 3312 B10R0.4 CCCCOCCCC(=O)C 7a_100000759063_100000210211 [0,2,0,0,0,0|0,0,2]=4 3313 B10R0.4 CCCCOCCNC(=O)C 34a_100000158858_100000210210 [0,2,0,0,0,0|0,0,2]=4 3314 B10R0.4 CCCCOCCNC(=O)C 7a_100000210227_100000189650 [0,2,0,0,0,0|0,0,2]=4 3315 B10R0.4 CCCCOCCOC(=O)C 34a_100000210227_100009814007 [0,2,0,0,0,0|0,0,2]=4 3316 B10R0.4 CCCCOCCOC(=O)C 7a_100000210227_100009814007 [0,2,0,0,0,0|0,0,2]=4 3317 B10R0.4 CCCCOCOCC(=O)C 34a_100000211253_100011995733 [0,2,0,0,0,0|0,0,2]=4 3318 B10R0.4 CCCCSCCC=C(C)C 62a_100000210211_100011217483 [0,2,0,0,0,0|1,0,1]=4 3319 B10R0.4 CCCCSCCC=C(C)C 62a_100011217483_100000210210 [0,2,0,0,0,0|1,0,1]=4 3320 B10R0.4 CCCCSCCCC(=O)C 62a_100000210211_100011215641 [0,2,0,0,0,0|0,0,2]=4 3321 B10R0.4 CCCCSCCCC(=O)C 62a_100011215641_100000210210 [0,2,0,0,0,0|0,0,2]=4 3322 B10R0.4 CCCCSCCNC(=O)C 11a_100025743550_100015343762 [0,2,0,0,0,0|0,0,2]=4 3323 B10R0.4 CCCCSCCNC(=O)C 1626a_100025743550_100015343762 [0,2,0,0,0,0|0,0,2]=4 3324 B10R0.4 CCCCSCCNC(=O)C 240690a_100025743550_100015343762 [0,2,0,0,0,0|0,0,2]=4 3325 B10R0.4 CCCCSCCNC(=O)C 527a_100025743550_100103153847 [0,2,0,0,0,0|0,0,2]=4 3326 B10R0.4 CCCCSCCNC(=O)C 62a_100000189650_100000210210 [0,2,0,0,0,0|0,0,2]=4 3327 B10R0.4 CCCCSCCNC(=O)C 62a_100000210211_100000189650 [0,2,0,0,0,0|0,0,2]=4 3328 B10R0.4 CCCCSCCOC(=O)C 62a_100000210211_100009814007 [0,2,0,0,0,0|0,0,2]=4 3329 B10R0.4 CCCCSCCOC(=O)C 62a_100009814007_100000210210 [0,2,0,0,0,0|0,0,2]=4 3330 B10R0.4 CCCNCCCNC(=O)C 34a_100000736810_100000210303 [0,2,0,0,0,0|0,0,2]=4 3331 B10R0.4 CCCOCCCCC(=O)C 34a_100000210258_100009817362 [0,2,0,0,0,0|0,0,2]=4 3332 B10R0.4 CCCOCCCNC(=O)C 1626a_100011217757_100015343762 [0,2,0,0,0,0|0,0,2]=4 3333 B10R0.4 CCCOCCCNC(=O)C 240690a_100011217757_100015343762 [0,2,0,0,0,0|0,0,2]=4 3334 B10R0.4 CCCOCCCNC(=O)C 34a_100000752032_100000210303 [0,2,0,0,0,0|0,0,2]=4 3335 B10R0.4 CCCOCCCNC(=O)C 527a_100011217757_100103153847 [0,2,0,0,0,0|0,0,2]=4 3336 B10R0.4 CCCOCCCOC(=O)C 34a_100000210258_100000042594 [0,2,0,0,0,0|0,0,2]=4 3337 B10R0.4 CCCOCCCSC(=O)C 34a_100000210258_100000038929 [0,2,0,0,0,0|0,0,2]=4 3338 B10R0.4 CCCOCCOCC(=O)C 34a_100000211253_100011215938 [0,2,0,0,0,0|0,0,2]=4 3339 B10R0.4 CCCSCCCCC(=O)C 62a_100000210303_100000735457 [0,2,0,0,0,0|0,0,2]=4 3340 B10R0.4 CCCSCCCCC(=O)C 62a_100000735457_100000210303 [0,2,0,0,0,0|0,0,2]=4 3341 B10R0.4 CCCSCCCOC(=O)C 62a_100000042594_100000210303 [0,2,0,0,0,0|0,0,2]=4 3342 B10R0.4 CCCSCCCOC(=O)C 62a_100000210303_100000042594 [0,2,0,0,0,0|0,0,2]=4 3343 B10R0.4 CCCSCCCSC(=O)C 62a_100000038929_100000210303 [0,2,0,0,0,0|0,0,2]=4 3344 B10R0.4 CCCSCCCSC(=O)C 62a_100000210303_100000038929 [0,2,0,0,0,0|0,0,2]=4 3345 B10R0.4 CCNCCCCNC(=O)C 2230a_200011368371_100000210202 [0,2,0,0,0,0|0,0,2]=4 3346 B10R0.4 CCNCCCCNC(=O)C 34a_200011368371_100000210202 [0,2,0,0,0,0|0,0,2]=4 3347 B10R0.4 CCNCCCCSC(=O)C 2230a_100015525214_200010402107 [0,2,0,0,0,0|0,0,2]=4 3348 B10R0.4 CCOCCCCOC(=O)C 34a_100000073216_100000210202 [0,2,0,0,0,0|0,0,2]=4 3349 B10R0.4 CCOCCCCOC(=O)C 34a_100121572206_100000033659 [0,2,0,0,0,0|0,0,2]=4 3350 B10R0.4 CCOCCCCOC(=O)C 7a_100000073216_100000210202 [0,2,0,0,0,0|0,0,2]=4 3351 B10R0.4 CCOCCCCSC(=O)C 34a_100121572206_200010402107 [0,2,0,0,0,0|0,0,2]=4 3352 B10R0.4 CCOCCCOCC(=O)C 34a_100000211253_100012232248 [0,2,0,0,0,0|0,0,2]=4 3353 B10R0.4 CCOCCNCC=C(C)C 2230a_102516460346_100000761012 [0,2,0,0,0,0|1,0,1]=4 3354 B10R0.4 CCOCCNCC=C(C)C 34a_100000718196_100000210147 [0,2,0,0,0,0|1,0,1]=4 3355 B10R0.4 CCOCCNCC=C(C)C 34a_102516460346_100000761012 [0,2,0,0,0,0|1,0,1]=4 3356 B10R0.4 CCOCCNCOC(=O)C 34a_102516460346_100009813279 [0,2,0,0,0,0|1,0,1]=4 3357 B10R0.4 CCOCCOCC=C(C)C 34a_100000210136_100000761012 [0,2,0,0,0,0|1,0,1]=4 3358 B10R0.4 CCOCCOCC=C(C)C 34a_100000753907_100000210147 [0,2,0,0,0,0|1,0,1]=4 3359 B10R0.4 CCOCCOCC=C(C)C 7a_100000210136_100000761012 [0,2,0,0,0,0|1,0,1]=4 3360 B10R0.4 CCOCCOCCC(=O)C 1458a_100000070787_100011211534 [0,2,0,0,0,0|0,0,2]=4 3361 B10R0.4 CCOCCOCCC(=O)C 34a_100000759926_100000210147 [0,2,0,0,0,0|0,0,2]=4 3362 B10R0.4 CCOCCOCCC(=O)C 7a_100000210136_100000053229 [0,2,0,0,0,0|0,0,2]=4 3363 B10R0.4 CCOCCOCCC(=O)C 7a_100000759926_100011215890 [0,2,0,0,0,0|0,0,2]=4 3364 B10R0.4 CCOCCOCOC(=O)C 34a_100000210136_100009813279 [0,2,0,0,0,0|1,0,1]=4 3365 B10R0.4 CCOCCSCC=C(C)C 62a_100000210147_100000761012 [0,2,0,0,0,0|1,0,1]=4 3366 B10R0.4 CCOCCSCC=C(C)C 62a_100000761012_100011215890 [0,2,0,0,0,0|1,0,1]=4 3367 B10R0.4 CCOCCSCCC(=O)C 62a_100000053229_100011215890 [0,2,0,0,0,0|0,0,2]=4 3368 B10R0.4 CCOCCSCCC(=O)C 62a_100000210147_100000053229 [0,2,0,0,0,0|0,0,2]=4 3369 B10R0.4 CCOCCSCOC(=O)C 62a_100000076356_100011215890 [0,2,0,0,0,0|1,0,1]=4 3370 B10R0.4 CCOCCSCOC(=O)C 62a_100000210147_100000076356 [0,2,0,0,0,0|1,0,1]=4 3371 B10R0.4 CCOCOCCOC(=O)C 34a_100121572206_100000076355 [0,2,0,0,0,0|1,0,1]=4 3372 B10R0.4 CCOCSCCC=C(C)C 62a_100000739092_100011217483 [0,2,0,0,0,0|1,0,1]=4 3373 B10R0.4 CCOCSCCC=C(C)C 62a_100011217483_100000739092 [0,2,0,0,0,0|1,0,1]=4 3374 B10R0.4 CCOCSCCCC(=O)C 62a_100000739092_100011215641 [0,2,0,0,0,0|0,0,2]=4 3375 B10R0.4 CCOCSCCCC(=O)C 62a_100011215641_100000739092 [0,2,0,0,0,0|0,0,2]=4 3376 B10R0.4 CCOCSCCNC(=O)C 62a_100000189650_100000739092 [0,2,0,0,0,0|1,0,1]=4 3377 B10R0.4 CCOCSCCNC(=O)C 62a_100000739092_100000189650 [0,2,0,0,0,0|1,0,1]=4 3378 B10R0.4 CCOCSCCOC(=O)C 62a_100000739092_100009814007 [0,2,0,0,0,0|1,0,1]=4 3379 B10R0.4 CCOCSCCOC(=O)C 62a_100009814007_100000739092 [0,2,0,0,0,0|1,0,1]=4 3380 B10R0.4 CCSCCCCOC(=O)C 62a_100000033659_100000210202 [0,2,0,0,0,0|0,0,2]=4 3381 B10R0.4 CCSCCCCOC(=O)C 62a_100000210202_100000033659 [0,2,0,0,0,0|0,0,2]=4 3382 B10R0.4 CCSCCCCSC(=O)C 62a_100000210202_200010402107 [0,2,0,0,0,0|0,0,2]=4 3383 B10R0.4 CCSCCCCSC(=O)C 62a_200010402107_100000210202 [0,2,0,0,0,0|0,0,2]=4 3384 B10R0.4 CCSCCNCC=C(C)C 2230a_100000106463_100000761012 [0,2,0,0,0,0|1,0,1]=4 3385 B10R0.4 CCSCCNCC=C(C)C 34a_100000718196_100000757381 [0,2,0,0,0,0|1,0,1]=4 3386 B10R0.4 CCSCCOCC=C(C)C 34a_100000212035_100000761012 [0,2,0,0,0,0|1,0,1]=4 3387 B10R0.4 CCSCCOCC=C(C)C 34a_100000753907_100000757381 [0,2,0,0,0,0|1,0,1]=4 3388 B10R0.4 CCSCCOCC=C(C)C 7a_100000212035_100000761012 [0,2,0,0,0,0|1,0,1]=4 3389 B10R0.4 CCSCCOCCC(=O)C 34a_100000759926_100000757381 [0,2,0,0,0,0|0,0,2]=4 3390 B10R0.4 CCSCCOCCC(=O)C 7a_100000212035_100000053229 [0,2,0,0,0,0|0,0,2]=4 3391 B10R0.4 CCSCCOCCC(=O)C 7a_100000759926_100000757381 [0,2,0,0,0,0|0,0,2]=4 3392 B10R0.4 CCSCCOCOC(=O)C 34a_100000212035_100009813279 [0,2,0,0,0,0|1,0,1]=4 3393 B10R0.4 CCSCCSCC=C(C)C 62a_100000757381_100000761012 [0,2,0,0,0,0|1,0,1]=4 3394 B10R0.4 CCSCCSCC=C(C)C 62a_100000761012_100000757381 [0,2,0,0,0,0|1,0,1]=4 3395 B10R0.4 CCSCCSCCC(=O)C 62a_100000053229_100000757381 [0,2,0,0,0,0|0,0,2]=4 3396 B10R0.4 CCSCCSCCC(=O)C 62a_100000757381_100000053229 [0,2,0,0,0,0|0,0,2]=4 3397 B10R0.4 CCSCCSCOC(=O)C 62a_100000076356_100000757381 [0,2,0,0,0,0|1,0,1]=4 3398 B10R0.4 CCSCCSCOC(=O)C 62a_100000757381_100000076356 [0,2,0,0,0,0|1,0,1]=4 3399 B10R0.4 CCSCOCCOC(=O)C 62a_100000076355_100000210202 [0,2,0,0,0,0|1,0,1]=4 3400 B10R0.4 CCSCOCCOC(=O)C 62a_100000210202_100000076355 [0,2,0,0,0,0|1,0,1]=4 3401 B10R0.4 CNCCCCCNC(=O)C 2230a_200012022750_200000210301 [0,2,0,0,0,0|0,0,2]=4 3402 B10R0.4 CNCCCCCNC(=O)C 34a_200012022750_200000210301 [0,2,0,0,0,0|0,0,2]=4 3403 B10R0.4 CNCCCCCOC(=O)C 2230a_106832991635_100009813381 [0,2,0,0,0,0|0,0,2]=4 3404 B10R0.4 CNCCCCCOC(=O)C 34a_100102657272_100000033007 [0,2,0,0,0,0|0,0,2]=4 3405 B10R0.4 CNCCCCCOC(=O)C 7a_106832991635_100000033007 [0,2,0,0,0,0|0,0,2]=4 3406 B10R0.4 CNCCCOCC=C(C)C 34a_100000213112_100000761012 [0,2,0,0,0,0|1,0,1]=4 3407 B10R0.4 CNCCCOCOC(=O)C 34a_100000213112_100009813279 [0,2,0,0,0,0|1,0,1]=4 3408 B10R0.4 CNCCOCCOC(=O)C 2230a_106832991635_200000083610 [0,2,0,0,0,0|1,0,1]=4 3409 B10R0.4 CNCCOCCOC(=O)C 34a_100102657272_200000083610 [0,2,0,0,0,0|1,0,1]=4 3410 B10R0.4 CNCCOCCOC(=O)C 7a_106832991635_200000083610 [0,2,0,0,0,0|1,0,1]=4 3411 B10R0.4 COCCCCCCC(=O)C 1458a_100000070787_100011998445 [0,2,0,0,0,0|0,0,2]=4 3412 B10R0.4 COCCCCCNC(=O)C 11a_100000747528_100015343762 [0,2,0,0,0,0|0,0,2]=4 3413 B10R0.4 COCCCCCNC(=O)C 1626a_100000747528_100015343762 [0,2,0,0,0,0|0,0,2]=4 3414 B10R0.4 COCCCCCNC(=O)C 240690a_100000747528_100015343762 [0,2,0,0,0,0|0,0,2]=4 3415 B10R0.4 COCCCCCNC(=O)C 527a_100000747528_100103153847 [0,2,0,0,0,0|0,0,2]=4 3416 B10R0.4 COCCCCCOC(=O)C 34a_100138415774_100000033007 [0,2,0,0,0,0|0,0,2]=4 3417 B10R0.4 COCCCCOCC(=O)C 34a_100000211253_100000755781 [0,2,0,0,0,0|0,0,2]=4 3418 B10R0.4 COCCCNCC=C(C)C 34a_100000718196_100000740836 [0,2,0,0,0,0|1,0,1]=4 3419 B10R0.4 COCCCNCC=C(C)C 34a_100150723488_100000761012 [0,2,0,0,0,0|1,0,1]=4 3420 B10R0.4 COCCCNCOC(=O)C 34a_100150723488_100009813279 [0,2,0,0,0,0|1,0,1]=4 3421 B10R0.4 COCCCOCC=C(C)C 34a_100000740835_100000761012 [0,2,0,0,0,0|1,0,1]=4 3422 B10R0.4 COCCCOCC=C(C)C 34a_100000753907_100000740836 [0,2,0,0,0,0|1,0,1]=4 3423 B10R0.4 COCCCOCCC(=O)C 34a_100000759926_100000740836 [0,2,0,0,0,0|0,0,2]=4 3424 B10R0.4 COCCCOCCC(=O)C 7a_100000759926_100000740836 [0,2,0,0,0,0|0,0,2]=4 3425 B10R0.4 COCCCOCOC(=O)C 34a_100000740835_100009813279 [0,2,0,0,0,0|1,0,1]=4 3426 B10R0.4 COCCCSCC=C(C)C 62a_100000709357_100000761012 [0,2,0,0,0,0|1,0,1]=4 3427 B10R0.4 COCCCSCC=C(C)C 62a_100000761012_100000709357 [0,2,0,0,0,0|1,0,1]=4 3428 B10R0.4 COCCCSCCC(=O)C 62a_100000053229_100000709357 [0,2,0,0,0,0|0,0,2]=4 3429 B10R0.4 COCCCSCCC(=O)C 62a_100000709357_100000053229 [0,2,0,0,0,0|0,0,2]=4 3430 B10R0.4 COCCCSCOC(=O)C 62a_100000076356_100000709357 [0,2,0,0,0,0|1,0,1]=4 3431 B10R0.4 COCCCSCOC(=O)C 62a_100000709357_100000076356 [0,2,0,0,0,0|1,0,1]=4 3432 B10R0.4 COCCNCCC=C(C)C 2230a_100000209980_100011217483 [0,2,0,0,0,0|1,0,1]=4 3433 B10R0.4 COCCNCCNC(=O)C 2230a_100000209853_100011201679 [0,2,0,0,0,0|1,0,1]=4 3434 B10R0.4 COCCNCCNC(=O)C 2230a_100000209980_100000189650 [0,2,0,0,0,0|1,0,1]=4 3435 B10R0.4 COCCOCCC=C(C)C 34a_100000210237_100011217483 [0,2,0,0,0,0|1,0,1]=4 3436 B10R0.4 COCCOCCCC(=O)C 1458a_100000070787_100011216529 [0,2,0,0,0,0|0,0,2]=4 3437 B10R0.4 COCCOCCCC(=O)C 34a_100000210237_100000685027 [0,2,0,0,0,0|0,0,2]=4 3438 B10R0.4 COCCOCCCC(=O)C 34a_100000759063_100011201679 [0,2,0,0,0,0|0,0,2]=4 3439 B10R0.4 COCCOCCCC(=O)C 7a_100000759063_100000233755 [0,2,0,0,0,0|0,0,2]=4 3440 B10R0.4 COCCOCCNC(=O)C 11a_100000745349_100015343762 [0,2,0,0,0,0|1,0,1]=4 3441 B10R0.4 COCCOCCNC(=O)C 1626a_100000745349_100015343762 [0,2,0,0,0,0|1,0,1]=4 3442 B10R0.4 COCCOCCNC(=O)C 240690a_100000745349_100015343762 [0,2,0,0,0,0|1,0,1]=4 3443 B10R0.4 COCCOCCNC(=O)C 34a_100000158858_100011201679 [0,2,0,0,0,0|1,0,1]=4 3444 B10R0.4 COCCOCCNC(=O)C 527a_100000745349_100103153847 [0,2,0,0,0,0|1,0,1]=4 3445 B10R0.4 COCCOCCOC(=O)C 34a_100000210237_100009814007 [0,2,0,0,0,0|1,0,1]=4 3446 B10R0.4 COCCOCCOC(=O)C 34a_100138415774_200000083610 [0,2,0,0,0,0|1,0,1]=4 3447 B10R0.4 COCCSCCC=C(C)C 62a_100000233755_100011217483 [0,2,0,0,0,0|1,0,1]=4 3448 B10R0.4 COCCSCCC=C(C)C 62a_100011217483_100000233755 [0,2,0,0,0,0|1,0,1]=4 3449 B10R0.4 COCCSCCCC(=O)C 62a_100000233755_100011215641 [0,2,0,0,0,0|0,0,2]=4 3450 B10R0.4 COCCSCCCC(=O)C 62a_100011215641_100000233755 [0,2,0,0,0,0|0,0,2]=4 3451 B10R0.4 COCCSCCNC(=O)C 62a_100000189650_100000233755 [0,2,0,0,0,0|1,0,1]=4 3452 B10R0.4 COCCSCCNC(=O)C 62a_100000233755_100000189650 [0,2,0,0,0,0|1,0,1]=4 3453 B10R0.4 COCCSCCOC(=O)C 62a_100000233755_100009814007 [0,2,0,0,0,0|1,0,1]=4 3454 B10R0.4 COCCSCCOC(=O)C 62a_100009814007_100000233755 [0,2,0,0,0,0|1,0,1]=4 3455 B10R0.4 COCSCCCCC(=O)C 62a_100000735457_100000766300 [0,2,0,0,0,0|0,0,2]=4 3456 B10R0.4 COCSCCCCC(=O)C 62a_100000766300_100000735457 [0,2,0,0,0,0|0,0,2]=4 3457 B10R0.4 COCSCCCOC(=O)C 62a_100000042594_100000766300 [0,2,0,0,0,0|1,0,1]=4 3458 B10R0.4 COCSCCCOC(=O)C 62a_100000766300_100000042594 [0,2,0,0,0,0|1,0,1]=4 3459 B10R0.4 COCSCCCSC(=O)C 62a_100000038929_100000766300 [0,2,0,0,0,0|1,0,1]=4 3460 B10R0.4 COCSCCCSC(=O)C 62a_100000766300_100000038929 [0,2,0,0,0,0|1,0,1]=4 3461 B10R0.4 CSCCCCCOC(=O)C 62a_100000033007_200000210301 [0,2,0,0,0,0|0,0,2]=4 3462 B10R0.4 CSCCCCCOC(=O)C 62a_200000210301_100000033007 [0,2,0,0,0,0|0,0,2]=4 3463 B10R0.4 CSCCCNCC=C(C)C 2230a_100000749238_100000761012 [0,2,0,0,0,0|1,0,1]=4 3464 B10R0.4 CSCCCOCC=C(C)C 34a_100000690336_100000761012 [0,2,0,0,0,0|1,0,1]=4 3465 B10R0.4 CSCCCOCC=C(C)C 7a_100000690336_100000761012 [0,2,0,0,0,0|1,0,1]=4 3466 B10R0.4 CSCCCOCCC(=O)C 7a_100000690336_100000053229 [0,2,0,0,0,0|0,0,2]=4 3467 B10R0.4 CSCCCOCOC(=O)C 34a_100000690336_100009813279 [0,2,0,0,0,0|1,0,1]=4 3468 B10R0.4 CSCCNCCC=C(C)C 2230a_100020590264_100011217483 [0,2,0,0,0,0|1,0,1]=4 3469 B10R0.4 CSCCNCCNC(=O)C 2230a_100000209853_100000751147 [0,2,0,0,0,0|1,0,1]=4 3470 B10R0.4 CSCCNCCNC(=O)C 2230a_100020590264_100000189650 [0,2,0,0,0,0|1,0,1]=4 3471 B10R0.4 CSCCOCCC=C(C)C 34a_100000230434_100011217483 [0,2,0,0,0,0|1,0,1]=4 3472 B10R0.4 CSCCOCCC=C(C)C 7a_100000230434_100011217483 [0,2,0,0,0,0|1,0,1]=4 3473 B10R0.4 CSCCOCCCC(=O)C 34a_100000230434_100000685027 [0,2,0,0,0,0|0,0,2]=4 3474 B10R0.4 CSCCOCCCC(=O)C 34a_100000759063_100000212216 [0,2,0,0,0,0|0,0,2]=4 3475 B10R0.4 CSCCOCCCC(=O)C 7a_100000230434_100011215641 [0,2,0,0,0,0|0,0,2]=4 3476 B10R0.4 CSCCOCCCC(=O)C 7a_100000759063_100000212216 [0,2,0,0,0,0|0,0,2]=4 3477 B10R0.4 CSCCOCCNC(=O)C 34a_100000158858_100000212216 [0,2,0,0,0,0|1,0,1]=4 3478 B10R0.4 CSCCOCCNC(=O)C 7a_100000230434_100000189650 [0,2,0,0,0,0|1,0,1]=4 3479 B10R0.4 CSCCOCCOC(=O)C 34a_100000230434_100009814007 [0,2,0,0,0,0|1,0,1]=4 3480 B10R0.4 CSCCOCCOC(=O)C 62a_200000083610_200000210301 [0,2,0,0,0,0|1,0,1]=4 3481 B10R0.4 CSCCOCCOC(=O)C 62a_200000210301_200000083610 [0,2,0,0,0,0|1,0,1]=4 3482 B10R0.4 CSCCOCCOC(=O)C 7a_100000230434_100009814007 [0,2,0,0,0,0|1,0,1]=4 3483 B10R0.4 CSCCSCCC=C(C)C 62a_100000212216_100011217483 [0,2,0,0,0,0|1,0,1]=4 3484 B10R0.4 CSCCSCCC=C(C)C 62a_100011217483_100000751147 [0,2,0,0,0,0|1,0,1]=4 3485 B10R0.4 CSCCSCCCC(=O)C 62a_100000212216_100011215641 [0,2,0,0,0,0|0,0,2]=4 3486 B10R0.4 CSCCSCCCC(=O)C 62a_100011215641_100000751147 [0,2,0,0,0,0|0,0,2]=4 3487 B10R0.4 CSCCSCCNC(=O)C 62a_100000189650_100000751147 [0,2,0,0,0,0|1,0,1]=4 3488 B10R0.4 CSCCSCCNC(=O)C 62a_100000212216_100000189650 [0,2,0,0,0,0|1,0,1]=4 3489 B10R0.4 CSCCSCCOC(=O)C 62a_100000212216_100009814007 [0,2,0,0,0,0|1,0,1]=4 3490 B10R0.4 CSCCSCCOC(=O)C 62a_100009814007_100000751147 [0,2,0,0,0,0|1,0,1]=4 3491 B10R0.4 CSCNCCCNC(=O)C 34a_100000736810_100011218213 [0,2,0,0,0,0|1,0,1]=4 3492 B10R0.4 CSCOCCCNC(=O)C 34a_100000752032_100011218213 [0,2,0,0,0,0|1,0,1]=4 3493 B10R0.4 CSCSCCCCC(=O)C 62a_100000735457_100011218213 [0,2,0,0,0,0|0,0,2]=4 3494 B10R0.4 CSCSCCCCC(=O)C 62a_100011218213_100000735457 [0,2,0,0,0,0|0,0,2]=4 3495 B10R0.4 CSCSCCCOC(=O)C 62a_100000042594_100011218213 [0,2,0,0,0,0|1,0,1]=4 3496 B10R0.4 CSCSCCCOC(=O)C 62a_100011218213_100000042594 [0,2,0,0,0,0|1,0,1]=4 3497 B10R0.4 CSCSCCCSC(=O)C 62a_100000038929_100011218213 [0,2,0,0,0,0|1,0,1]=4 3498 B10R0.4 CSCSCCCSC(=O)C 62a_100011218213_100000038929 [0,2,0,0,0,0|1,0,1]=4 3499 B10R0.4 [13CH3]C(=O)CCCCCCCO 1458a_100011219782_200025704644 [0,2,0,0,0,0|0,0,2]=4 3500 B10R0.4 [13CH3]C(=O)COCCOCCO 1458a_106645077154_200025704644 [0,2,0,0,0,0|1,0,1]=4 3501 B10R0.6 C#CCCCC(=O)C=C(C)C 1458a_100000211388_100000731252 [0,2,0,0,0,0|1,0,1]=4 3502 B10R0.6 C#CCCCC(=O)C=C(C)Cl 1458a_200042562850_100000731252 [0,2,0,0,0,0|1,0,1]=4 3503 B10R0.6 C#CCCCC(=O)C=C(C)I 1458a_100025716642_100000731252 [0,2,0,0,0,0|1,0,1]=4 3504 B10R0.6 C=C(C)CC(=O)C=CCCC 1458a_100000212230_100000748629 [0,2,0,0,0,0|1,0,1]=4 3505 B10R0.6 C=C(C)CC(=O)CCCCC 1458a_100000212188_100000748629 [0,2,0,0,0,0|1,0,1]=4 3506 B10R0.6 C=C(C)CC(=O)CCCCO 1458a_100000695505_100000748629 [0,2,0,0,0,0|1,0,1]=4 3507 B10R0.6 C=C(C)CC(=O)CCCOC 1458a_100000741012_100000748629 [0,2,0,0,0,0|1,0,1]=4 3508 B10R0.6 C=C(C)CC(=O)CCCSC 1458a_100000173376_100000748629 [0,2,0,0,0,0|1,0,1]=4 3509 B10R0.6 C=C(C)CC(=O)CCOCC 1458a_100000749530_100000748629 [0,2,0,0,0,0|1,0,1]=4 3510 B10R0.6 C=C(C)CC(=O)CCSCC 1458a_100000230768_100000748629 [0,2,0,0,0,0|1,0,1]=4 3511 B10R0.6 C=C(C)CC(=O)COCCC 1458a_100000745993_100000748629 [0,2,0,0,0,0|1,0,1]=4 3512 B10R0.6 C=C(C)CC(=O)CSCCC 1458a_100000217233_100000748629 [0,2,0,0,0,0|1,0,1]=4 3513 B10R0.6 C=CCCCC(=O)C=C(C)C 1458a_100000211388_100000757094 [0,2,0,0,0,0|1,0,1]=4 3514 B10R0.6 C=CCCCC(=O)C=C(C)Cl 1458a_200042562850_100000757094 [0,2,0,0,0,0|1,0,1]=4 3515 B10R0.6 C=CCCCC(=O)C=C(C)I 1458a_100025716642_100000757094 [0,2,0,0,0,0|1,0,1]=4 3516 B10R0.6 CC(=CC(=O)CCCC#N)C 1458a_100000211388_100000211468 [0,2,0,0,0,0|1,0,1]=4 3517 B10R0.6 CC(=CC(=O)CCCC#N)Cl 1458a_200042562850_100000211468 [0,2,0,0,0,0|1,0,1]=4 3518 B10R0.6 CC(=CC(=O)CCCC#N)I 1458a_100025716642_100000211468 [0,2,0,0,0,0|1,0,1]=4 3519 B10R0.6 CC(=CC(=O)CCCCF)C 1458a_100000211388_100000729493 [0,2,0,0,0,0|1,0,0]=3 3520 B10R0.6 CC(=CC(=O)CCCCF)Cl 1458a_200042562850_100000729493 [0,2,0,0,0,0|1,0,0]=3 3521 B10R0.6 CC(=CC(=O)CCCCF)I 1458a_100025716642_100000729493 [0,2,0,0,0,0|1,0,0]=3 3522 B10R0.6 CC(=CC(=O)CCCCO)C 1458a_100000211388_100000210776 [0,2,0,0,0,0|1,0,0]=3 3523 B10R0.6 CC(=CC(=O)CCCCO)Cl 1458a_200042562850_100000210776 [0,2,0,0,0,0|1,0,0]=3 3524 B10R0.6 CC(=CC(=O)CCCCO)I 1458a_100025716642_100000210776 [0,2,0,0,0,0|1,0,0]=3 3525 B10R0.6 CC(=CC(=O)NCCCF)C 11a_100015189416_100000211388 [0,2,0,0,0,0|2,0,0]=4 3526 B10R0.6 CC(=CC(=O)NCCCF)C 1626a_100015189416_100000211388 [0,2,0,0,0,0|2,0,0]=4 3527 B10R0.6 CC(=CC(=O)NCCCF)C 240690a_100015189416_100000211388 [0,2,0,0,0,0|2,0,0]=4 3528 B10R0.6 CC(=CC(=O)NCCCF)Cl 11a_100015189416_200042562850 [0,2,0,0,0,0|2,0,0]=4 3529 B10R0.6 CC(=CC(=O)NCCCF)Cl 1626a_100015189416_200042562850 [0,2,0,0,0,0|2,0,0]=4 3530 B10R0.6 CC(=CC(=O)NCCCF)Cl 240690a_100015189416_200042562850 [0,2,0,0,0,0|2,0,0]=4 3531 B10R0.6 CC(=CC(=O)NCCCF)I 11a_100015189416_100025716642 [0,2,0,0,0,0|2,0,0]=4 3532 B10R0.6 CC(=CC(=O)NCCCF)I 1626a_100015189416_100025716642 [0,2,0,0,0,0|2,0,0]=4 3533 B10R0.6 CC(=CC(=O)NCCCO)C 240690a_100000182051_100000211388 [0,2,0,0,0,0|2,0,0]=4 3534 B10R0.6 CC(=CC(=O)NCCCO)Cl 240690a_100000182051_200042562850 [0,2,0,0,0,0|2,0,0]=4 3535 B10R0.6 CC(=O)CC(=O)OCCS[13CH3] 62a_100000102702_200025704644 [0,2,0,0,0,0|1,0,1]=4 3536 B10R0.6 CC(=O)CC(=O)OCCS[13CH3] 62a_200025704644_100000102702 [0,2,0,0,0,0|1,0,1]=4 3537 B10R0.6 CC(=O)NC(=O)CSCCF 62a_100011217306_100000183797 [0,2,0,0,0,0|2,0,0]=4 3538 B10R0.6 CC(=O)NC(=O)CSCCO 62a_100000211926_100000183797 [0,2,0,0,0,0|2,0,0]=4 3539 B10R0.6 CC/C=C\CC(=O)C=C(C)C 1458a_100000211388_100103147603 [0,2,0,0,0,0|1,0,1]=4 3540 B10R0.6 CC/C=C\CC(=O)C=C(C)Cl 1458a_200042562850_100103147603 [0,2,0,0,0,0|1,0,1]=4 3541 B10R0.6 CC/C=C\CC(=O)C=C(C)I 1458a_100025716642_100103147603 [0,2,0,0,0,0|1,0,1]=4 3542 B10R0.6 CCC#CCC(=O)C=C(C)C 1458a_100000211388_100009813939 [0,2,0,0,0,0|1,0,1]=4 3543 B10R0.6 CCC#CCC(=O)C=C(C)Cl 1458a_200042562850_100009813939 [0,2,0,0,0,0|1,0,1]=4 3544 B10R0.6 CCC#CCC(=O)C=C(C)I 1458a_100025716642_100009813939 [0,2,0,0,0,0|1,0,1]=4 3545 B10R0.6 CCCC=CC(=O)CC(=O)N 1458a_100000212230_100000187820 [0,2,0,0,0,0|1,0,1]=4 3546 B10R0.6 CCCC=CC(=O)CC(=O)[O-] 1458a_100000212230_100020667443 [0,2,0,0,0,0|1,0,1]=4 3547 B10R0.6 CCCCCC(=O)C=C(C)C 1458a_100000211388_100000210326 [0,2,0,0,0,0|1,0,0]=3 3548 B10R0.6 CCCCCC(=O)C=C(C)Cl 1458a_200042562850_100000210326 [0,2,0,0,0,0|1,0,0]=3 3549 B10R0.6 CCCCCC(=O)C=C(C)I 1458a_100025716642_100000210326 [0,2,0,0,0,0|1,0,0]=3 3550 B10R0.6 CCCCCC(=O)C=C(Cl)Cl 1458a_100000137448_100000210326 [0,2,0,0,0,0|2,0,0]=4 3551 B10R0.6 CCCCCC(=O)CC(=O)C 1458a_100000070787_200012276598 [0,2,0,0,0,0|0,0,1]=3 3552 B10R0.6 CCCCCC(=O)CC(=O)N 1458a_100000212188_100000187820 [0,2,0,0,0,0|1,0,1]=4 3553 B10R0.6 CCCCCC(=O)CC(=O)N 1458a_100134613110_100000210326 [0,2,0,0,0,0|1,0,1]=4 3554 B10R0.6 CCCCCC(=O)CC(=O)[O-] 1458a_100000212188_100020667443 [0,2,0,0,0,0|1,0,1]=4 3555 B10R0.6 CCCCCC(C)NC(=O)C 11a_100000211957_100015343762 [0,2,0,0,0,0|0,0,2]=4 3556 B10R0.6 CCCCCC(C)NC(=O)C 1626a_100000211957_100015343762 [0,2,0,0,0,0|0,0,2]=4 3557 B10R0.6 CCCCCC(C)NC(=O)C 240690a_100000211957_100015343762 [0,2,0,0,0,0|0,0,2]=4 3558 B10R0.6 CCCCCC(C)NC(=O)C 527a_100000211957_100103153847 [0,2,0,0,0,0|0,0,2]=4 3559 B10R0.6 CCCCNC(=O)C=C(C)C 11a_100000102301_100000211388 [0,2,0,0,0,0|1,0,0]=3 3560 B10R0.6 CCCCNC(=O)C=C(C)C 1626a_100000102301_100000211388 [0,2,0,0,0,0|1,0,0]=3 3561 B10R0.6 CCCCNC(=O)C=C(C)C 240690a_100000102301_100000211388 [0,2,0,0,0,0|1,0,0]=3 3562 B10R0.6 CCCCNC(=O)C=C(C)Cl 11a_100000102301_200042562850 [0,2,0,0,0,0|1,0,0]=3 3563 B10R0.6 CCCCNC(=O)C=C(C)Cl 1626a_100000102301_200042562850 [0,2,0,0,0,0|1,0,0]=3 3564 B10R0.6 CCCCNC(=O)C=C(C)Cl 240690a_100000102301_200042562850 [0,2,0,0,0,0|1,0,0]=3 3565 B10R0.6 CCCCNC(=O)C=C(C)I 11a_100000102301_100025716642 [0,2,0,0,0,0|1,0,0]=3 3566 B10R0.6 CCCCNC(=O)C=C(C)I 1626a_100000102301_100025716642 [0,2,0,0,0,0|1,0,0]=3 3567 B10R0.6 CCCCNC(=O)C=C(Cl)Cl 1626a_100000102301_100000137448 [0,2,0,0,0,0|2,0,0]=4 3568 B10R0.6 CCCCNC(=O)C=C(Cl)Cl 240690a_100000102301_100000137448 [0,2,0,0,0,0|2,0,0]=4 3569 B10R0.6 CCCCNC(=O)CC(=O)C 1458a_100000070787_100000182744 [0,2,0,0,0,0|0,0,1]=3 3570 B10R0.6 CCCCNC(=O)CC(=O)N 240690a_100000102301_100134613110 [0,2,0,0,0,0|1,0,1]=4 3571 B10R0.6 CCCCNC(=O)CC(=O)N 527a_100000102301_100134613110 [0,2,0,0,0,0|1,0,1]=4 3572 B10R0.6 CCCCOC(=O)CC(=O)C 1458a_100000070787_100000211628 [0,2,0,0,0,0|0,0,1]=3 3573 B10R0.6 CCCCOC(C)C=C(C)C 34a_100000717055_100000210210 [0,2,0,0,0,0|1,0,1]=4 3574 B10R0.6 CCCCSC(C)OC(=O)C 62a_100000210211_100009818208 [0,2,0,0,0,0|1,0,1]=4 3575 B10R0.6 CCCCSC(C)OC(=O)C 62a_100009818208_100000210210 [0,2,0,0,0,0|1,0,1]=4 3576 B10R0.6 CCCNNC(=O)C=C(C)C 22a_100000740057_100000211388 [0,2,0,0,0,0|2,0,0]=4 3577 B10R0.6 CCCNNC(=O)C=C(C)Cl 22a_100000740057_200042562850 [0,2,0,0,0,0|2,0,0]=4 3578 B10R0.6 CCCOCC(=O)CC(=O)N 1458a_100000745993_100000187820 [0,2,0,0,0,0|1,0,1]=4 3579 B10R0.6 CCCOCC(=O)CC(=O)[O-] 1458a_100000745993_100020667443 [0,2,0,0,0,0|1,0,1]=4 3580 B10R0.6 CCCSCC(=O)CC(=O)N 1458a_100000217233_100000187820 [0,2,0,0,0,0|1,0,1]=4 3581 B10R0.6 CCCSCC(=O)CC(=O)[O-] 1458a_100000217233_100020667443 [0,2,0,0,0,0|1,0,1]=4 3582 B10R0.6 CCCSCC(=O)NC(=O)C 62a_100000210303_100000183797 [0,2,0,0,0,0|1,0,0]=3 3583 B10R0.6 CCCSCC(=O)NC(=O)N 62a_100000210303_100000182717 [0,2,0,0,0,0|2,0,0]=4 3584 B10R0.6 CCNCCC(=O)NC(=O)N 2230a_100015525214_100000237605 [0,2,0,0,0,0|2,0,0]=4 3585 B10R0.6 CCOCCC(=O)C=C(C)C 1458a_100000211388_100011215890 [0,2,0,0,0,0|1,0,0]=3 3586 B10R0.6 CCOCCC(=O)C=C(C)Cl 1458a_200042562850_100011215890 [0,2,0,0,0,0|1,0,0]=3 3587 B10R0.6 CCOCCC(=O)C=C(C)I 1458a_100025716642_100011215890 [0,2,0,0,0,0|1,0,0]=3 3588 B10R0.6 CCOCCC(=O)C=C(Cl)Cl 1458a_100000137448_100011215890 [0,2,0,0,0,0|2,0,0]=4 3589 B10R0.6 CCOCCC(=O)CC(=O)N 1458a_100000749530_100000187820 [0,2,0,0,0,0|1,0,1]=4 3590 B10R0.6 CCOCCC(=O)CC(=O)N 1458a_100134613110_100011215890 [0,2,0,0,0,0|1,0,1]=4 3591 B10R0.6 CCOCCC(=O)CC(=O)[O-] 1458a_100000749530_100020667443 [0,2,0,0,0,0|1,0,1]=4 3592 B10R0.6 CCSCCC(=O)C=C(C)C 1458a_100000211388_100000757381 [0,2,0,0,0,0|1,0,0]=3 3593 B10R0.6 CCSCCC(=O)C=C(C)Cl 1458a_200042562850_100000757381 [0,2,0,0,0,0|1,0,0]=3 3594 B10R0.6 CCSCCC(=O)C=C(C)I 1458a_100025716642_100000757381 [0,2,0,0,0,0|1,0,0]=3 3595 B10R0.6 CCSCCC(=O)C=C(Cl)Cl 1458a_100000137448_100000757381 [0,2,0,0,0,0|2,0,0]=4 3596 B10R0.6 CCSCCC(=O)CC(=O)N 1458a_100000230768_100000187820 [0,2,0,0,0,0|1,0,1]=4 3597 B10R0.6 CCSCCC(=O)CC(=O)N 1458a_100134613110_100000757381 [0,2,0,0,0,0|1,0,1]=4 3598 B10R0.6 CCSCCC(=O)CC(=O)[O-] 1458a_100000230768_100020667443 [0,2,0,0,0,0|1,0,1]=4 3599 B10R0.6 CCSCCC(=O)NC(=O)N 62a_100000210202_100000237605 [0,2,0,0,0,0|2,0,0]=4 3600 B10R0.6 CNCCOC(=O)CC(=O)C 34a_100102657272_100000102702 [0,2,0,0,0,0|1,0,1]=4 3601 B10R0.6 COCCCC(=O)C=C(C)C 1458a_100000211388_100000740836 [0,2,0,0,0,0|1,0,0]=3 3602 B10R0.6 COCCCC(=O)C=C(C)Cl 1458a_200042562850_100000740836 [0,2,0,0,0,0|1,0,0]=3 3603 B10R0.6 COCCCC(=O)C=C(C)I 1458a_100025716642_100000740836 [0,2,0,0,0,0|1,0,0]=3 3604 B10R0.6 COCCCC(=O)C=C(Cl)Cl 1458a_100000137448_100000740836 [0,2,0,0,0,0|2,0,0]=4 3605 B10R0.6 COCCCC(=O)CC(=O)N 1458a_100000741012_100000187820 [0,2,0,0,0,0|1,0,1]=4 3606 B10R0.6 COCCCC(=O)CC(=O)N 1458a_100134613110_100000740836 [0,2,0,0,0,0|1,0,1]=4 3607 B10R0.6 COCCCC(=O)CC(=O)[O-] 1458a_100000741012_100020667443 [0,2,0,0,0,0|1,0,1]=4 3608 B10R0.6 COCCNC(=O)C=C(C)C 1626a_100000209980_100000211388 [0,2,0,0,0,0|2,0,0]=4 3609 B10R0.6 COCCNC(=O)C=C(C)C 240690a_100000209980_100000211388 [0,2,0,0,0,0|2,0,0]=4 3610 B10R0.6 COCCNC(=O)C=C(C)Cl 1626a_100000209980_200042562850 [0,2,0,0,0,0|2,0,0]=4 3611 B10R0.6 COCCNC(=O)C=C(C)Cl 240690a_100000209980_200042562850 [0,2,0,0,0,0|2,0,0]=4 3612 B10R0.6 COCCNC(=O)C=C(C)I 1626a_100000209980_100025716642 [0,2,0,0,0,0|2,0,0]=4 3613 B10R0.6 COCCNC(=O)CC(=O)C 1458a_100000070787_100000183275 [0,2,0,0,0,0|1,0,1]=4 3614 B10R0.6 COCCOC(=O)CC(=O)C 1458a_100000070787_200000040189 [0,2,0,0,0,0|1,0,1]=4 3615 B10R0.6 COCCOC(=O)CC(=O)C 34a_100138415774_100000102702 [0,2,0,0,0,0|1,0,1]=4 3616 B10R0.6 COCSCC(=O)NC(=O)C 62a_100000766300_100000183797 [0,2,0,0,0,0|2,0,0]=4 3617 B10R0.6 CSCCCC(=O)CC(=O)N 1458a_100000173376_100000187820 [0,2,0,0,0,0|1,0,1]=4 3618 B10R0.6 CSCCCC(=O)CC(=O)[O-] 1458a_100000173376_100020667443 [0,2,0,0,0,0|1,0,1]=4 3619 B10R0.6 CSCCNC(=O)C=C(C)C 11a_100020590264_100000211388 [0,2,0,0,0,0|2,0,0]=4 3620 B10R0.6 CSCCNC(=O)C=C(C)C 1626a_100020590264_100000211388 [0,2,0,0,0,0|2,0,0]=4 3621 B10R0.6 CSCCNC(=O)C=C(C)C 240690a_100020590264_100000211388 [0,2,0,0,0,0|2,0,0]=4 3622 B10R0.6 CSCCNC(=O)C=C(C)Cl 11a_100020590264_200042562850 [0,2,0,0,0,0|2,0,0]=4 3623 B10R0.6 CSCCNC(=O)C=C(C)Cl 1626a_100020590264_200042562850 [0,2,0,0,0,0|2,0,0]=4 3624 B10R0.6 CSCCNC(=O)C=C(C)Cl 240690a_100020590264_200042562850 [0,2,0,0,0,0|2,0,0]=4 3625 B10R0.6 CSCCNC(=O)C=C(C)I 11a_100020590264_100025716642 [0,2,0,0,0,0|2,0,0]=4 3626 B10R0.6 CSCCNC(=O)C=C(C)I 1626a_100020590264_100025716642 [0,2,0,0,0,0|2,0,0]=4 3627 B10R0.6 CSCCOC(=O)CC(=O)C 62a_100000102702_200000210301 [0,2,0,0,0,0|1,0,1]=4 3628 B10R0.6 CSCCOC(=O)CC(=O)C 62a_200000210301_100000102702 [0,2,0,0,0,0|1,0,1]=4 3629 B10R0.6 CSCSCC(=O)NC(=O)C 62a_100011218213_100000183797 [0,2,0,0,0,0|2,0,0]=4 3630 B10R0.6 NC(=O)CC(=O)CCCCF 1458a_100134613110_100000729493 [0,2,0,0,0,0|1,0,1]=4 3631 B10R0.6 NC(=O)CC(=O)CCCCO 1458a_100000695505_100000187820 [0,2,0,0,0,0|1,0,1]=4 3632 B10R0.6 NC(=O)CC(=O)CCCCO 1458a_100134613110_100000210776 [0,2,0,0,0,0|1,0,1]=4 3633 B10R0.6 O=C(C=C(Cl)Cl)CCCCF 1458a_100000137448_100000729493 [0,2,0,0,0,0|2,0,0]=4 3634 B10R0.6 O=C(C=C(Cl)Cl)CCCCO 1458a_100000137448_100000210776 [0,2,0,0,0,0|2,0,0]=4 3635 B10R0.6 O=C([O-])CC(=O)CCCCO 1458a_100000695505_100020667443 [0,2,0,0,0,0|1,0,1]=4 3636 B10R0.22 CCCOC/C=C/[Si](C)(C)C 7a_200016270829_100000210303 [0,2,0,0,0,0|1,1,0]=4 3637 B10R0.55 C=C(C)C=NNCC(O)CC 4a_100015206393_100000210575 [0,2,0,0,0,0|2,0,0]=4 3638 B10R0.55 CC(C)CCCCC(=O)CF 1458a_100011933920_100015361967 [0,2,0,0,0,0|0,0,2]=4 3639 B10R0.55 CC(C)CCCCC(=O)CO 1458a_100000210174_100011216152 [0,2,0,0,0,0|0,0,2]=4 3640 B10R0.55 CC(C)CCCNC(=O)CO 240690a_200000737386_100000210174 [0,2,0,0,0,0|1,0,1]=4 3641 B10R0.55 CC(C)CCCNC(=O)CO 527a_200000737386_100000210174 [0,2,0,0,0,0|1,0,1]=4 3642 B10R0.55 CCC(=O)CCCCC(=O)C 1458a_100000210414_100000735457 [0,2,0,0,0,0|0,0,2]=4 3643 B10R0.55 CCC(=O)CCCCC(C)C 1458a_100000210414_100011216152 [0,2,0,0,0,0|0,0,2]=4 3644 B10R0.55 CCC(=O)CCCCC(C)C 1458a_100011933920_100000210202 [0,2,0,0,0,0|0,0,2]=4 3645 B10R0.55 CCC(=O)CCCNC(=O)C 1458a_100000194741_100000210202 [0,2,0,0,0,0|1,0,1]=4 3646 B10R0.55 CCC(=O)CCCOC(=O)C 1458a_100000210414_100000042594 [0,2,0,0,0,0|1,0,1]=4 3647 B10R0.55 CCC(=O)CCCSC(=O)C 1458a_100000210414_100000038929 [0,2,0,0,0,0|1,0,1]=4 3648 B10R0.55 CCC(=O)COCCC(C)C 34a_100000725409_100000210312 [0,2,0,0,0,0|1,0,1]=4 3649 B10R0.55 CCC(=O)COCCC(C)C 7a_100000210254_100000747405 [0,2,0,0,0,0|1,0,1]=4 3650 B10R0.55 CCC(=O)COCCC(C)O 34a_100000725409_100012276601 [0,2,0,0,0,0|1,0,1]=4 3651 B10R0.55 CCC(=O)CSCCC(C)C 62a_100000210312_100000747405 [0,2,0,0,0,0|1,0,1]=4 3652 B10R0.55 CCC(=O)CSCCC(C)C 62a_100000747405_100000210312 [0,2,0,0,0,0|1,0,1]=4 3653 B10R0.55 CCC(=O)CSCCC(C)O 62a_100000747405_100012276601 [0,2,0,0,0,0|1,0,1]=4 3654 B10R0.55 CCC(=O)CSCCC(C)O 62a_100012276601_100000747405 [0,2,0,0,0,0|1,0,1]=4 3655 B10R0.55 CCC(=O)NCCCC(C)C 11a_200000737386_100000210414 [0,2,0,0,0,0|1,0,1]=4 3656 B10R0.55 CCC(=O)NCCCC(C)C 1626a_200000737386_100000210414 [0,2,0,0,0,0|1,0,1]=4 3657 B10R0.55 CCC(=O)NCCCC(C)C 240690a_200000737386_100000210414 [0,2,0,0,0,0|1,0,1]=4 3658 B10R0.55 CCC(=O)NCCCC(C)C 527a_200000737386_100000210414 [0,2,0,0,0,0|1,0,1]=4 3659 B10R0.55 CCC(C)CNCC=C(C)C 2230a_100020588543_100000761012 [0,2,0,0,0,0|1,0,1]=4 3660 B10R0.55 CCC(C)CNCC=C(C)C 270004a_100000718196_100000243153 [0,2,0,0,0,0|1,0,1]=4 3661 B10R0.55 CCC(C)CNCC=C(C)C 34a_100000718196_100000748023 [0,2,0,0,0,0|1,0,1]=4 3662 B10R0.55 CCC(C)COCC=C(C)C 34a_100000753907_100000748023 [0,2,0,0,0,0|1,0,1]=4 3663 B10R0.55 CCC(C)COCCC(=O)C 34a_100000759926_100000748023 [0,2,0,0,0,0|0,0,2]=4 3664 B10R0.55 CCC(C)COCCC(=O)C 7a_100000759926_100000748023 [0,2,0,0,0,0|0,0,2]=4 3665 B10R0.55 CCC(C)CSCC=C(C)C 62a_100000748023_100000761012 [0,2,0,0,0,0|1,0,1]=4 3666 B10R0.55 CCC(C)CSCC=C(C)C 62a_100000761012_100000748023 [0,2,0,0,0,0|1,0,1]=4 3667 B10R0.55 CCC(C)CSCCC(=O)C 62a_100000053229_100000748023 [0,2,0,0,0,0|0,0,2]=4 3668 B10R0.55 CCC(C)CSCCC(=O)C 62a_100000748023_100000053229 [0,2,0,0,0,0|0,0,2]=4 3669 B10R0.55 CCC(C)CSCOC(=O)C 62a_100000076356_100000748023 [0,2,0,0,0,0|1,0,1]=4 3670 B10R0.55 CCC(C)CSCOC(=O)C 62a_100000748023_100000076356 [0,2,0,0,0,0|1,0,1]=4 3671 B10R0.55 CCC(C)NCCC=C(C)C 2230a_100000209981_100011217483 [0,2,0,0,0,0|1,0,1]=4 3672 B10R0.55 CCC(C)NCCNC(=O)C 2230a_100000209853_100000758301 [0,2,0,0,0,0|1,0,1]=4 3673 B10R0.55 CCC(C)NCCNC(=O)C 2230a_100000209981_100000189650 [0,2,0,0,0,0|1,0,1]=4 3674 B10R0.55 CCC(C)NN=CC=C(C)C 4a_100000718999_100011215525 [0,2,0,0,0,0|2,0,0]=4 3675 B10R0.55 CCC(C)OCCC=C(C)C 7a_100000210228_100011217483 [0,2,0,0,0,0|1,0,1]=4 3676 B10R0.55 CCC(C)OCCCC(=O)C 34a_100000759063_100011215416 [0,2,0,0,0,0|0,0,2]=4 3677 B10R0.55 CCC(C)OCCCC(=O)C 7a_100000210228_100011215641 [0,2,0,0,0,0|0,0,2]=4 3678 B10R0.55 CCC(C)OCCCC(=O)C 7a_100000759063_100000758301 [0,2,0,0,0,0|0,0,2]=4 3679 B10R0.55 CCC(C)OCCNC(=O)C 34a_100000158858_100011215416 [0,2,0,0,0,0|1,0,1]=4 3680 B10R0.55 CCC(C)OCCNC(=O)C 7a_100000210228_100000189650 [0,2,0,0,0,0|1,0,1]=4 3681 B10R0.55 CCC(C)OCCOC(=O)C 7a_100000210228_100009814007 [0,2,0,0,0,0|1,0,1]=4 3682 B10R0.55 CCC(C)SCCC=C(C)C 62a_100000758301_100011217483 [0,2,0,0,0,0|1,0,1]=4 3683 B10R0.55 CCC(C)SCCC=C(C)C 62a_100011217483_100000758301 [0,2,0,0,0,0|1,0,1]=4 3684 B10R0.55 CCC(C)SCCCC(=O)C 62a_100000758301_100011215641 [0,2,0,0,0,0|0,0,2]=4 3685 B10R0.55 CCC(C)SCCCC(=O)C 62a_100011215641_100000758301 [0,2,0,0,0,0|0,0,2]=4 3686 B10R0.55 CCC(C)SCCNC(=O)C 62a_100000189650_100000758301 [0,2,0,0,0,0|1,0,1]=4 3687 B10R0.55 CCC(C)SCCNC(=O)C 62a_100000758301_100000189650 [0,2,0,0,0,0|1,0,1]=4 3688 B10R0.55 CCC(C)SCCOC(=O)C 62a_100000758301_100009814007 [0,2,0,0,0,0|1,0,1]=4 3689 B10R0.55 CCC(C)SCCOC(=O)C 62a_100009814007_100000758301 [0,2,0,0,0,0|1,0,1]=4 3690 B10R0.55 CCC(O)CNCC=C(C)C 2230a_100011218483_100000761012 [0,2,0,0,0,0|1,0,1]=4 3691 B10R0.55 CCC(O)CNCC=C(C)C 34a_100000718196_100011218378 [0,2,0,0,0,0|1,0,1]=4 3692 B10R0.55 CCC(O)COCC=C(C)C 34a_100000753907_100011218378 [0,2,0,0,0,0|1,0,1]=4 3693 B10R0.55 CCC(O)COCCC(=O)C 34a_100000759926_100011218378 [0,2,0,0,0,0|0,0,2]=4 3694 B10R0.55 CCC(O)COCCC(=O)C 7a_100000759926_100011218378 [0,2,0,0,0,0|0,0,2]=4 3695 B10R0.55 CCC(O)CSCC=C(C)C 62a_100000761012_100011218378 [0,2,0,0,0,0|1,0,1]=4 3696 B10R0.55 CCC(O)CSCC=C(C)C 62a_100011218378_100000761012 [0,2,0,0,0,0|1,0,1]=4 3697 B10R0.55 CCC(O)CSCCC(=O)C 62a_100000053229_100011218378 [0,2,0,0,0,0|0,0,2]=4 3698 B10R0.55 CCC(O)CSCCC(=O)C 62a_100011218378_100000053229 [0,2,0,0,0,0|0,0,2]=4 3699 B10R0.55 CCC(O)CSCOC(=O)C 62a_100000076356_100011218378 [0,2,0,0,0,0|1,0,1]=4 3700 B10R0.55 CCC(O)CSCOC(=O)C 62a_100011218378_100000076356 [0,2,0,0,0,0|1,0,1]=4 3701 B10R0.55 CCN(C)CCCCC(=O)C 269982a_100000225621_100000735457 [0,2,0,0,0,0|0,0,2]=4 3702 B10R0.55 CCN(C)CCCOC(=O)C 269982a_100000225621_100000042594 [0,2,0,0,0,0|1,0,1]=4 3703 B10R0.55 CCN(C)CCCSC(=O)C 2230a_100000225621_100000038929 [0,2,0,0,0,0|1,0,1]=4 3704 B10R0.55 CCN(C)CCCSC(=O)C 269982a_100000225621_100000038929 [0,2,0,0,0,0|1,0,1]=4 3705 B10R0.55 CC[C@H](C)CNCC=C(C)C 34a_100000718196_100009816398 [0,2,0,0,0,0|1,0,1]=4 3706 B10R0.55 CC[C@H](C)COCC=C(C)C 34a_100000753907_100009816398 [0,2,0,0,0,0|1,0,1]=4 3707 B10R0.55 CC[C@H](C)COCC=C(C)C 7a_100009816381_100000761012 [0,2,0,0,0,0|1,0,1]=4 3708 B10R0.55 CC[C@H](C)COCCC(=O)C 34a_100000759926_100009816398 [0,2,0,0,0,0|0,0,2]=4 3709 B10R0.55 CC[C@H](C)COCCC(=O)C 7a_100000759926_100009816398 [0,2,0,0,0,0|0,0,2]=4 3710 B10R0.55 CC[C@H](C)COCCC(=O)C 7a_100009816381_100000053229 [0,2,0,0,0,0|0,0,2]=4 3711 B10R0.55 CC[C@H](C)CSCC=C(C)C 62a_100000761012_100009816398 [0,2,0,0,0,0|1,0,1]=4 3712 B10R0.55 CC[C@H](C)CSCC=C(C)C 62a_100009816398_100000761012 [0,2,0,0,0,0|1,0,1]=4 3713 B10R0.55 CC[C@H](C)CSCCC(=O)C 62a_100000053229_100009816398 [0,2,0,0,0,0|0,0,2]=4 3714 B10R0.55 CC[C@H](C)CSCCC(=O)C 62a_100009816398_100000053229 [0,2,0,0,0,0|0,0,2]=4 3715 B10R0.55 CC[C@H](C)CSCOC(=O)C 62a_100000076356_100009816398 [0,2,0,0,0,0|1,0,1]=4 3716 B10R0.55 CC[C@H](C)CSCOC(=O)C 62a_100009816398_100000076356 [0,2,0,0,0,0|1,0,1]=4 3717 B10R0.55 CNC(=O)CCCCC(C)C 11a_106832991635_100011933920 [0,2,0,0,0,0|0,0,2]=4 3718 B10R0.55 CNC(=O)CCCCC(C)C 1626a_100102657272_100011933920 [0,2,0,0,0,0|0,0,2]=4 3719 B10R0.55 CNC(=O)CCCCC(C)C 240690a_100102657272_100011933920 [0,2,0,0,0,0|0,0,2]=4 3720 B10R0.55 CNC(=O)CCCCC(C)C 527a_100102657272_100011933920 [0,2,0,0,0,0|0,0,2]=4 3721 B10R0.55 CNC(=O)CNCCC(C)C 2230a_100000693194_100000210312 [0,2,0,0,0,0|1,0,1]=4 3722 B10R0.55 CNC(=O)CNCCC(C)C 269862a_100000693194_100000185833 [0,2,0,0,0,0|1,0,1]=4 3723 B10R0.55 CNC(=O)CNCCC(C)O 2230a_100000693194_100012276601 [0,2,0,0,0,0|1,0,1]=4 3724 B10R0.55 CNC(=O)CNCCC(C)O 2230a_200000755665_100000183359 [0,2,0,0,0,0|1,0,1]=4 3725 B10R0.55 CNC(=O)COCCC(C)Br 34a_100009893172_100000183359 [0,2,0,0,0,0|1,0,1]=4 3726 B10R0.55 CNC(=O)COCCC(C)C 34a_100000210254_100000183359 [0,2,0,0,0,0|1,0,1]=4 3727 B10R0.55 CNC(=O)COCCC(C)C 34a_100000750040_100000210312 [0,2,0,0,0,0|1,0,1]=4 3728 B10R0.55 CNC(=O)COCCC(C)C 7a_100000210254_100000183359 [0,2,0,0,0,0|1,0,1]=4 3729 B10R0.55 CNC(=O)COCCC(C)O 34a_100000750040_100012276601 [0,2,0,0,0,0|1,0,1]=4 3730 B10R0.55 CNC(=O)COCC[C@@H](C)N 34a_100000706166_100000183359 [0,2,0,0,0,0|1,0,1]=4 3731 B10R0.55 CNC(=O)CSCCC(C)C 62a_100000183359_100000210312 [0,2,0,0,0,0|1,0,1]=4 3732 B10R0.55 CNC(=O)CSCCC(C)C 62a_100000210312_100000183359 [0,2,0,0,0,0|1,0,1]=4 3733 B10R0.55 CNC(=O)CSCCC(C)O 62a_100000183359_100012276601 [0,2,0,0,0,0|1,0,1]=4 3734 B10R0.55 CNC(=O)CSCCC(C)O 62a_100012276601_100000183359 [0,2,0,0,0,0|1,0,1]=4 3735 B10R0.55 CNC(=O)NCCCC(C)C 2708a_100102657272_200000737386 [0,2,0,0,0,0|1,0,1]=4 3736 B10R0.55 CNC(=O)NCCCC(C)C 2708a_200000737386_106832991635 [0,2,0,0,0,0|1,0,1]=4 3737 B10R0.55 CNC(=O)NCCCC(C)C 273464a_100102657272_200000737386 [0,2,0,0,0,0|1,0,1]=4 3738 B10R0.55 CNC(=O)NCCCC(C)C 273464a_200000737386_100102657272 [0,2,0,0,0,0|1,0,1]=4 3739 B10R0.55 CNC(=O)NCCCC(C)C 512a_106832991638_200000737386 [0,2,0,0,0,0|1,0,1]=4 3740 B10R0.55 CNC(=O)NCCCC(C)C 512a_200000737386_100102657272 [0,2,0,0,0,0|1,0,1]=4 3741 B10R0.55 COC(=O)/C=C/CNC(C)C 2230a_100138425928_100000742655 [0,2,0,0,0,0|1,0,0]=3 3742 B10R0.55 COC(=O)/C=C/CNC(C)C 34a_100138425928_100000742655 [0,2,0,0,0,0|1,0,0]=3 3743 B10R0.55 COC(=O)/C=C/COC(C)C 34a_100000212225_100000742655 [0,2,0,0,0,0|1,0,0]=3 3744 B10R0.55 COC(=O)/C=C/CSC(C)C 62a_100000210206_100000742655 [0,2,0,0,0,0|1,0,0]=3 3745 B10R0.55 COC(=O)/C=C/CSC(C)C 62a_100000742655_100000210206 [0,2,0,0,0,0|1,0,0]=3 3746 B10R0.55 COC(=O)C=NNCC(C)O 4a_200000730056_200011823558 [0,2,0,0,0,0|2,0,0]=4 3747 B10R0.55 COC(=O)CNCCC(C)O 2230a_200000755665_100000747449 [0,2,0,0,0,0|1,0,1]=4 3748 B10R0.55 COC(=O)COCCC(C)Br 34a_100009893172_100000747449 [0,2,0,0,0,0|1,0,1]=4 3749 B10R0.55 COC(=O)COCCC(C)C 34a_100000210254_100000747449 [0,2,0,0,0,0|1,0,1]=4 3750 B10R0.55 COC(=O)COCCC(C)C 7a_100000210254_100000747449 [0,2,0,0,0,0|1,0,1]=4 3751 B10R0.55 COC(=O)COCC[C@@H](C)N 34a_100000706166_100000747449 [0,2,0,0,0,0|1,0,1]=4 3752 B10R0.55 COC(=O)CSCCC(C)C 62a_100000210312_100000747449 [0,2,0,0,0,0|1,0,1]=4 3753 B10R0.55 COC(=O)CSCCC(C)C 62a_100000747449_100000210312 [0,2,0,0,0,0|1,0,1]=4 3754 B10R0.55 COC(=O)CSCCC(C)O 62a_100000747449_100012276601 [0,2,0,0,0,0|1,0,1]=4 3755 B10R0.55 COC(=O)CSCCC(C)O 62a_100012276601_100000747449 [0,2,0,0,0,0|1,0,1]=4 3756 B10R0.55 CSC(C)CC=NNC(=O)C 4a_100000189765_100000036020 [0,2,0,0,0,0|2,0,0]=4 3757 B10R0.74 C#C/C(=C\COCCCC)/C 34a_100016990848_100000210210 [0,2,0,0,0,0|1,0,1]=4 3758 B10R0.74 C#CCNC/C=C/C(=O)OC 34a_100000212058_100000742655 [0,2,0,0,0,0|0,0,2]=4 3759 B10R0.74 C#CCOC/C=C/C(=O)OC 34a_100000210247_100000742655 [0,2,0,0,0,0|0,0,2]=4 3760 B10R0.74 C#CCSC/C=C/C(=O)OC 62a_100000038162_100000742655 [0,2,0,0,0,0|0,0,2]=4 3761 B10R0.74 C/C=C(\C)/C=NNCCCC 4a_100025702795_100020587592 [0,2,0,0,0,0|2,0,0]=4 3762 B10R0.74 C=CCNC/C=C/C(=O)OC 2230a_100020586998_100000742655 [0,2,0,0,0,0|0,0,2]=4 3763 B10R0.74 C=CCOC/C=C/C(=O)OC 34a_200000210373_100000742655 [0,2,0,0,0,0|0,0,2]=4 3764 B10R0.74 C=CCSC/C=C/C(=O)OC 62a_100000210623_100000742655 [0,2,0,0,0,0|0,0,2]=4 3765 B10R0.74 C=CCSC/C=C/C(=O)OC 62a_100000742655_100000210623 [0,2,0,0,0,0|0,0,2]=4 3766 B10R0.74 CCC(=O)CCCCCCF 1458a_100000210414_100015922095 [0,2,0,0,0,0|0,0,2]=4 3767 B10R0.74 CCC(=O)CCCCCCO 1458a_100000210414_100000766143 [0,2,0,0,0,0|0,0,2]=4 3768 B10R0.74 CCC(=O)CCCCCCO 1458a_100011996774_100000210202 [0,2,0,0,0,0|0,0,2]=4 3769 B10R0.74 CCC(=O)CCCCCOC 1458a_100011935119_100000210202 [0,2,0,0,0,0|0,0,2]=4 3770 B10R0.74 CCC(=O)COCCCCCl 7a_100000210776_100000747405 [0,2,0,0,0,0|1,0,1]=4 3771 B10R0.74 CCC(=O)COCCCCF 34a_100000725409_100000729493 [0,2,0,0,0,0|1,0,1]=4 3772 B10R0.74 CCC(=O)COCCCCF 7a_100011995726_100000747405 [0,2,0,0,0,0|1,0,1]=4 3773 B10R0.74 CCC(=O)COCCCCO 34a_100000725409_100011216708 [0,2,0,0,0,0|1,0,1]=4 3774 B10R0.74 CCC(=O)COCCCOC 34a_100000725409_100000740836 [0,2,0,0,0,0|1,0,1]=4 3775 B10R0.74 CCC(=O)COCCCSC 7a_100000690336_100000747405 [0,2,0,0,0,0|1,0,1]=4 3776 B10R0.74 CCC(=O)CSCCCCF 62a_100000729493_100000747405 [0,2,0,0,0,0|1,0,1]=4 3777 B10R0.74 CCC(=O)CSCCCCF 62a_100000747405_100000729493 [0,2,0,0,0,0|1,0,1]=4 3778 B10R0.74 CCC(=O)CSCCCCO 62a_100000210776_100000747405 [0,2,0,0,0,0|1,0,1]=4 3779 B10R0.74 CCC(=O)CSCCCCO 62a_100000747405_100000210776 [0,2,0,0,0,0|1,0,1]=4 3780 B10R0.74 CCC(=O)CSCCCOC 62a_100000709357_100000747405 [0,2,0,0,0,0|1,0,1]=4 3781 B10R0.74 CCC(=O)CSCCCOC 62a_100000747405_100000709357 [0,2,0,0,0,0|1,0,1]=4 3782 B10R0.74 CCC(=O)NCCCCCO 240690a_100000762737_100000210414 [0,2,0,0,0,0|1,0,1]=4 3783 B10R0.74 CCC(=O)NN=CCCSC 4a_100000183195_100000210997 [0,2,0,0,0,0|2,0,0]=4 3784 B10R0.74 CCC(=O)NNCCCOC 22a_100025702787_100000210414 [0,2,0,0,0,0|2,0,0]=4 3785 B10R0.74 CCC/C=C/C=CC(=O)CC 1458a_200016258893_100000210202 [0,2,0,0,0,0|0,0,1]=3 3786 B10R0.74 CCC/C=C/C=CC(=O)CF 1458a_200016258893_100015361967 [0,2,0,0,0,0|0,0,1]=3 3787 B10R0.74 CCC/C=C/C=CC(=O)NC 11a_106832991635_200016258893 [0,2,0,0,0,0|0,0,1]=3 3788 B10R0.74 CCC/C=C/C=CC(=O)NC 1626a_100102657272_200016258893 [0,2,0,0,0,0|0,0,1]=3 3789 B10R0.74 CCC/C=C/C=CC(=O)NC 240690a_100102657272_200016258893 [0,2,0,0,0,0|0,0,1]=3 3790 B10R0.74 CCCC/C=C/CC(=O)CC 1458a_200016282684_100000210202 [0,2,0,0,0,0|0,0,0]=2 3791 B10R0.74 CCCC/C=C/CC(=O)CF 1458a_200016282684_100015361967 [0,2,0,0,0,0|0,0,0]=2 3792 B10R0.74 CCCC/C=C/CC(=O)NC 11a_106832991635_200016282684 [0,2,0,0,0,0|0,0,0]=2 3793 B10R0.74 CCCC/C=C/CC(=O)NC 1626a_100102657272_200016282684 [0,2,0,0,0,0|0,0,0]=2 3794 B10R0.74 CCCC/C=C/CC(=O)NC 240690a_100102657272_200016282684 [0,2,0,0,0,0|0,0,0]=2 3795 B10R0.74 CCCC/C=C/CC(=O)NC 527a_100102657272_200016282684 [0,2,0,0,0,0|0,0,0]=2 3796 B10R0.74 CCCCC=NNC(=O)CC 4a_100000183195_100000210104 [0,2,0,0,0,0|1,0,0]=3 3797 B10R0.74 CCCCCC#CC(=O)CC 1458a_100011215388_100000210202 [0,2,0,0,0,0|0,0,2]=4 3798 B10R0.74 CCCCCC#CC(=O)CF 1458a_100011215388_100015361967 [0,2,0,0,0,0|0,0,2]=4 3799 B10R0.74 CCCCCC#CC(=O)NC 240690a_100102657272_100011215388 [0,2,0,0,0,0|0,0,2]=4 3800 B10R0.74 CCCCCC=CC(=O)CC 1458a_100016263427_100000210202 [0,2,0,0,0,0|0,0,0]=2 3801 B10R0.74 CCCCCC=CC(=O)CF 1458a_100016263427_100015361967 [0,2,0,0,0,0|0,0,0]=2 3802 B10R0.74 CCCCCC=CC(=O)NC 11a_106832991635_100016263427 [0,2,0,0,0,0|0,0,0]=2 3803 B10R0.74 CCCCCC=CC(=O)NC 1626a_100102657272_100016263427 [0,2,0,0,0,0|0,0,0]=2 3804 B10R0.74 CCCCCC=CC(=O)NC 240690a_100102657272_100016263427 [0,2,0,0,0,0|0,0,0]=2 3805 B10R0.74 CCCCCCCC(=O)CC 1458a_100000210414_100000210614 [0,2,0,0,0,0|0,0,2]=4 3806 B10R0.74 CCCCCCCC(=O)CC 1458a_100000211969_100000210202 [0,2,0,0,0,0|0,0,2]=4 3807 B10R0.74 CCCCCCCC(=O)CF 1458a_100000211969_100015361967 [0,2,0,0,0,0|0,0,2]=4 3808 B10R0.74 CCCCCCCC(=O)CO 1458a_100000210174_100000210614 [0,2,0,0,0,0|0,0,2]=4 3809 B10R0.74 CCCCCCCC(=O)NC 11a_106832991635_100000211969 [0,2,0,0,0,0|0,0,2]=4 3810 B10R0.74 CCCCCCCC(=O)NC 1626a_100102657272_100000211969 [0,2,0,0,0,0|0,0,2]=4 3811 B10R0.74 CCCCCCCC(=O)NC 240690a_100102657272_100000211969 [0,2,0,0,0,0|0,0,2]=4 3812 B10R0.74 CCCCCCCC(=O)NC 527a_100102657272_100000211969 [0,2,0,0,0,0|0,0,2]=4 3813 B10R0.74 CCCCCCNC(=O)CC 11a_100000210581_100000210414 [0,2,0,0,0,0|0,0,2]=4 3814 B10R0.74 CCCCCCNC(=O)CC 1626a_100000210581_100000210414 [0,2,0,0,0,0|0,0,2]=4 3815 B10R0.74 CCCCCCNC(=O)CC 240690a_100000210581_100000210414 [0,2,0,0,0,0|0,0,2]=4 3816 B10R0.74 CCCCCCNC(=O)CC 527a_100000210581_100000210414 [0,2,0,0,0,0|0,0,2]=4 3817 B10R0.74 CCCCCCNC(=O)CO 240690a_100000210581_100000210174 [0,2,0,0,0,0|0,0,2]=4 3818 B10R0.74 CCCCCCNC(=O)CO 527a_100000210581_100000210174 [0,2,0,0,0,0|0,0,2]=4 3819 B10R0.74 CCCCCCNC(=O)NC 2708a_100000210581_106832991635 [0,2,0,0,0,0|0,0,2]=4 3820 B10R0.74 CCCCCCNC(=O)NC 2708a_100102657272_100000210581 [0,2,0,0,0,0|0,0,2]=4 3821 B10R0.74 CCCCCCNC(=O)NC 273464a_100000210581_100102657272 [0,2,0,0,0,0|0,0,2]=4 3822 B10R0.74 CCCCCCNC(=O)NC 273464a_100102657272_100000210581 [0,2,0,0,0,0|0,0,2]=4 3823 B10R0.74 CCCCCCNC(=O)NC 512a_100000210581_100102657272 [0,2,0,0,0,0|0,0,2]=4 3824 B10R0.74 CCCCCCNC(=O)NC 512a_106832991638_100000210581 [0,2,0,0,0,0|0,0,2]=4 3825 B10R0.74 CCCCCNCC(=O)NC 2230a_100000209983_100000183359 [0,2,0,0,0,0|0,0,2]=4 3826 B10R0.74 CCCCCNCC(=O)NC 2230a_100000693194_100000210326 [0,2,0,0,0,0|0,0,2]=4 3827 B10R0.74 CCCCCNCC(=O)OC 2230a_100000209983_100000747449 [0,2,0,0,0,0|0,0,2]=4 3828 B10R0.74 CCCCCNNC(=O)CC 22a_100000694160_100000210414 [0,2,0,0,0,0|1,0,1]=4 3829 B10R0.74 CCCCCNNC(=O)CO 22a_100000694160_100000210174 [0,2,0,0,0,0|1,0,1]=4 3830 B10R0.74 CCCCCNNC(=O)NC 273464a_100102657272_100000694160 [0,2,0,0,0,0|1,0,1]=4 3831 B10R0.74 CCCCCNNC(=O)NC 512a_100000694160_100102657272 [0,2,0,0,0,0|1,0,1]=4 3832 B10R0.74 CCCCCNNC(=O)NC 512a_106832991638_100000694160 [0,2,0,0,0,0|1,0,1]=4 3833 B10R0.74 CCCCCOCC(=O)CC 34a_100000725409_100000718602 [0,2,0,0,0,0|0,0,2]=4 3834 B10R0.74 CCCCCOCC(=O)CC 7a_100000210253_100000747405 [0,2,0,0,0,0|0,0,2]=4 3835 B10R0.74 CCCCCOCC(=O)NC 34a_100000210253_100000183359 [0,2,0,0,0,0|0,0,2]=4 3836 B10R0.74 CCCCCOCC(=O)NC 34a_100000750040_100000718602 [0,2,0,0,0,0|0,0,2]=4 3837 B10R0.74 CCCCCOCC(=O)NC 7a_100000210253_100000183359 [0,2,0,0,0,0|0,0,2]=4 3838 B10R0.74 CCCCCOCC(=O)OC 34a_100000210253_100000747449 [0,2,0,0,0,0|0,0,2]=4 3839 B10R0.74 CCCCCOCC(=O)OC 7a_100000210253_100000747449 [0,2,0,0,0,0|0,0,2]=4 3840 B10R0.74 CCCCCSCC(=O)CC 62a_100000210326_100000747405 [0,2,0,0,0,0|0,0,2]=4 3841 B10R0.74 CCCCCSCC(=O)CC 62a_100000747405_100000210326 [0,2,0,0,0,0|0,0,2]=4 3842 B10R0.74 CCCCCSCC(=O)NC 62a_100000183359_100000210326 [0,2,0,0,0,0|0,0,2]=4 3843 B10R0.74 CCCCCSCC(=O)NC 62a_100000210326_100000183359 [0,2,0,0,0,0|0,0,2]=4 3844 B10R0.74 CCCCCSCC(=O)OC 62a_100000210326_100000747449 [0,2,0,0,0,0|0,0,2]=4 3845 B10R0.74 CCCCCSCC(=O)OC 62a_100000747449_100000210326 [0,2,0,0,0,0|0,0,2]=4 3846 B10R0.74 CCCCNCCC(=O)NC 2230a_100000102301_100000737683 [0,2,0,0,0,0|0,0,2]=4 3847 B10R0.74 CCCCNCCC(=O)NC 2230a_100000738227_100000210211 [0,2,0,0,0,0|0,0,2]=4 3848 B10R0.74 CCCCNCCC(=O)NC 34a_100000738227_100000210210 [0,2,0,0,0,0|0,0,2]=4 3849 B10R0.74 CCCCNCCC(=O)NC 7a_106832991798_100000737683 [0,2,0,0,0,0|0,0,2]=4 3850 B10R0.74 CCCCNCCC(=O)OC 2230a_100000102301_100000204255 [0,2,0,0,0,0|0,0,2]=4 3851 B10R0.74 CCCCNCCC(=O)OC 7a_106832991798_100000204255 [0,2,0,0,0,0|0,0,2]=4 3852 B10R0.74 CCCCNN=C/C(=C\N)/C 4a_100025702795_100050415766 [0,2,0,0,0,0|2,0,0]=4 3853 B10R0.74 CCCCNN=CC(=O)OC 4a_100025702795_200011823558 [0,2,0,0,0,0|1,0,0]=3 3854 B10R0.74 CCCCOCCC(=O)CC 1458a_100000210414_100000743108 [0,2,0,0,0,0|0,0,2]=4 3855 B10R0.74 CCCCOCCC(=O)CO 1458a_100000210174_100000743108 [0,2,0,0,0,0|0,0,2]=4 3856 B10R0.74 CCCCOCCC(=O)NC 34a_100000210227_100012179268 [0,2,0,0,0,0|0,0,2]=4 3857 B10R0.74 CCCCOCCC(=O)NC 34a_100000754576_100000210210 [0,2,0,0,0,0|0,0,2]=4 3858 B10R0.74 CCCCOCCC(=O)NC 7a_100000210227_100000737683 [0,2,0,0,0,0|0,0,2]=4 3859 B10R0.74 CCCCOCCC(=O)OC 34a_100000210227_100000742370 [0,2,0,0,0,0|0,0,2]=4 3860 B10R0.74 CCCCOCCC(=O)OC 7a_100000210227_100000204255 [0,2,0,0,0,0|0,0,2]=4 3861 B10R0.74 CCCCSCCC(=O)NC 62a_100000210211_100000737683 [0,2,0,0,0,0|0,0,2]=4 3862 B10R0.74 CCCCSCCC(=O)NC 62a_100000737683_100000210210 [0,2,0,0,0,0|0,0,2]=4 3863 B10R0.74 CCCCSCCC(=O)OC 62a_100000204255_100000210210 [0,2,0,0,0,0|0,0,2]=4 3864 B10R0.74 CCCCSCCC(=O)OC 62a_100000210211_100000204255 [0,2,0,0,0,0|0,0,2]=4 3865 B10R0.74 CCCCSCOC(=O)OC 62a_100000210211_100000139417 [0,2,0,0,0,0|1,0,1]=4 3866 B10R0.74 CCCNCCCC(=O)NC 2230a_100000740002_100000210303 [0,2,0,0,0,0|0,0,2]=4 3867 B10R0.74 CCCNCCCC(=O)NC 34a_100000740002_100000210303 [0,2,0,0,0,0|0,0,2]=4 3868 B10R0.74 CCCNCCNC(=O)CC 34a_100132302217_100000210303 [0,2,0,0,0,0|1,0,1]=4 3869 B10R0.74 CCCNCCNC(=O)NC 34a_100015205895_100000210303 [0,2,0,0,0,0|1,0,1]=4 3870 B10R0.74 CCCNN=CCC(=O)OC 4a_100000740057_200011552997 [0,2,0,0,0,0|1,0,1]=4 3871 B10R0.74 CCCOC/C=C/C(=O)OC 34a_100000210258_100000742655 [0,2,0,0,0,0|0,0,0]=2 3872 B10R0.74 CCCOCCCC(=O)NC 34a_100000210258_100000741757 [0,2,0,0,0,0|0,0,2]=4 3873 B10R0.74 CCCOCCCC(=O)OC 34a_100000210258_100000742333 [0,2,0,0,0,0|0,0,2]=4 3874 B10R0.74 CCCOCCNC(=O)CC 1626a_100161115042_100000210414 [0,2,0,0,0,0|1,0,1]=4 3875 B10R0.74 CCCOCCNC(=O)CC 240690a_100161115042_100000210414 [0,2,0,0,0,0|1,0,1]=4 3876 B10R0.74 CCCOCCNC(=O)CC 34a_200000158885_100000210303 [0,2,0,0,0,0|1,0,1]=4 3877 B10R0.74 CCCOCCNC(=O)CC 527a_100161115042_100000210414 [0,2,0,0,0,0|1,0,1]=4 3878 B10R0.74 CCCOCCNC(=O)CC 7a_200000158885_100000210303 [0,2,0,0,0,0|1,0,1]=4 3879 B10R0.74 CCCOCCNC(=O)CO 240690a_100161115042_100000210174 [0,2,0,0,0,0|1,0,1]=4 3880 B10R0.74 CCCOCCNC(=O)CO 527a_100161115042_100000210174 [0,2,0,0,0,0|1,0,1]=4 3881 B10R0.74 CCCOCCNC(=O)NC 2708a_100102657272_100161115042 [0,2,0,0,0,0|1,0,1]=4 3882 B10R0.74 CCCOCCNC(=O)NC 2708a_100161115042_106832991635 [0,2,0,0,0,0|1,0,1]=4 3883 B10R0.74 CCCOCCNC(=O)NC 273464a_100102657272_100161115042 [0,2,0,0,0,0|1,0,1]=4 3884 B10R0.74 CCCOCCNC(=O)NC 273464a_100161115042_100102657272 [0,2,0,0,0,0|1,0,1]=4 3885 B10R0.74 CCCOCCNC(=O)NC 512a_100161115042_100102657272 [0,2,0,0,0,0|1,0,1]=4 3886 B10R0.74 CCCOCCNC(=O)NC 512a_106832991638_100161115042 [0,2,0,0,0,0|1,0,1]=4 3887 B10R0.74 CCCOCCNC(=O)OC 34a_100000757965_100000210303 [0,2,0,0,0,0|1,0,1]=4 3888 B10R0.74 CCCOCCOC(=O)CC 7a_200000031056_100000210303 [0,2,0,0,0,0|1,0,1]=4 3889 B10R0.74 CCCOCCOC(=O)NC 34a_100000210258_200011997002 [0,2,0,0,0,0|1,0,1]=4 3890 B10R0.74 CCCOCCOC(=O)OC 34a_100010262106_100000210303 [0,2,0,0,0,0|1,0,1]=4 3891 B10R0.74 CCCSC/C=C/C(=O)OC 62a_100000210303_100000742655 [0,2,0,0,0,0|0,0,0]=2 3892 B10R0.74 CCCSC/C=C/C(=O)OC 62a_100000742655_100000210303 [0,2,0,0,0,0|0,0,0]=2 3893 B10R0.74 CCCSCCCC(=O)NC 62a_100000210303_100000741757 [0,2,0,0,0,0|0,0,2]=4 3894 B10R0.74 CCCSCCCC(=O)NC 62a_100000741757_100000210303 [0,2,0,0,0,0|0,0,2]=4 3895 B10R0.74 CCCSCCCC(=O)OC 62a_100000210303_100011218270 [0,2,0,0,0,0|0,0,2]=4 3896 B10R0.74 CCCSCCCC(=O)OC 62a_100011218270_100000210303 [0,2,0,0,0,0|0,0,2]=4 3897 B10R0.74 CCCSCCNC(=O)CC 11a_100020603323_100000210414 [0,2,0,0,0,0|1,0,1]=4 3898 B10R0.74 CCCSCCNC(=O)CC 240690a_100020603323_100000210414 [0,2,0,0,0,0|1,0,1]=4 3899 B10R0.74 CCCSCCNC(=O)CC 527a_100020603323_100000210414 [0,2,0,0,0,0|1,0,1]=4 3900 B10R0.74 CCCSCCNC(=O)CO 240690a_100020603323_100000210174 [0,2,0,0,0,0|1,0,1]=4 3901 B10R0.74 CCCSCCNC(=O)CO 527a_100020603323_100000210174 [0,2,0,0,0,0|1,0,1]=4 3902 B10R0.74 CCCSCCNC(=O)NC 2708a_100020603323_106832991635 [0,2,0,0,0,0|1,0,1]=4 3903 B10R0.74 CCCSCCNC(=O)NC 2708a_100102657272_100020603323 [0,2,0,0,0,0|1,0,1]=4 3904 B10R0.74 CCCSCCNC(=O)NC 273464a_100020603323_100102657272 [0,2,0,0,0,0|1,0,1]=4 3905 B10R0.74 CCCSCCNC(=O)NC 273464a_100102657272_100020603323 [0,2,0,0,0,0|1,0,1]=4 3906 B10R0.74 CCCSCCNC(=O)NC 512a_100020603323_100102657272 [0,2,0,0,0,0|1,0,1]=4 3907 B10R0.74 CCCSCCNC(=O)NC 512a_106832991638_100020603323 [0,2,0,0,0,0|1,0,1]=4 3908 B10R0.74 CCCSCCOC(=O)NC 62a_100000210303_200011997002 [0,2,0,0,0,0|1,0,1]=4 3909 B10R0.74 CCCSCCOC(=O)NC 62a_200011997002_100000210303 [0,2,0,0,0,0|1,0,1]=4 3910 B10R0.74 CCNCCCCC(=O)OC 2230a_100015525214_100000204269 [0,2,0,0,0,0|0,0,2]=4 3911 B10R0.74 CCNCCOCC(=O)OC 2230a_100015525214_100000090808 [0,2,0,0,0,0|1,0,1]=4 3912 B10R0.74 CCNN=CC=CC(=O)OC 4a_100000756455_100016254430 [0,2,0,0,0,0|1,0,1]=4 3913 B10R0.74 CCOCCCCC(=O)OC 34a_100000059025_100000210202 [0,2,0,0,0,0|0,0,2]=4 3914 B10R0.74 CCOCCCCC(=O)OC 34a_100121572206_100000204269 [0,2,0,0,0,0|0,0,2]=4 3915 B10R0.74 CCOCCCCC(=O)OC 7a_100000059025_100000210202 [0,2,0,0,0,0|0,0,2]=4 3916 B10R0.74 CCOCCCNC(=O)CC 11a_100000210961_100000210414 [0,2,0,0,0,0|1,0,1]=4 3917 B10R0.74 CCOCCCNC(=O)CC 1626a_100000210961_100000210414 [0,2,0,0,0,0|1,0,1]=4 3918 B10R0.74 CCOCCCNC(=O)CC 240690a_100000210961_100000210414 [0,2,0,0,0,0|1,0,1]=4 3919 B10R0.74 CCOCCCNC(=O)CC 527a_100000210961_100000210414 [0,2,0,0,0,0|1,0,1]=4 3920 B10R0.74 CCOCCCNC(=O)CO 240690a_100000210961_100000210174 [0,2,0,0,0,0|1,0,1]=4 3921 B10R0.74 CCOCCCNC(=O)CO 527a_100000210961_100000210174 [0,2,0,0,0,0|1,0,1]=4 3922 B10R0.74 CCOCCCNC(=O)NC 2708a_100000210961_106832991635 [0,2,0,0,0,0|1,0,1]=4 3923 B10R0.74 CCOCCCNC(=O)NC 2708a_100102657272_100000210961 [0,2,0,0,0,0|1,0,1]=4 3924 B10R0.74 CCOCCCNC(=O)NC 273464a_100000210961_100102657272 [0,2,0,0,0,0|1,0,1]=4 3925 B10R0.74 CCOCCCNC(=O)NC 273464a_100102657272_100000210961 [0,2,0,0,0,0|1,0,1]=4 3926 B10R0.74 CCOCCCNC(=O)NC 512a_100000210961_100102657272 [0,2,0,0,0,0|1,0,1]=4 3927 B10R0.74 CCOCCCNC(=O)NC 512a_106832991638_100000210961 [0,2,0,0,0,0|1,0,1]=4 3928 B10R0.74 CCOCCNCC(=O)NC 2230a_100000693194_100011215890 [0,2,0,0,0,0|1,0,1]=4 3929 B10R0.74 CCOCCNCC(=O)NC 2230a_102516460346_100000183359 [0,2,0,0,0,0|1,0,1]=4 3930 B10R0.74 CCOCCNCC(=O)NC 34a_102516460346_100000183359 [0,2,0,0,0,0|1,0,1]=4 3931 B10R0.74 CCOCCNCC(=O)OC 2230a_102516460346_100000747449 [0,2,0,0,0,0|1,0,1]=4 3932 B10R0.74 CCOCCNCC(=O)OC 34a_102516460346_100000747449 [0,2,0,0,0,0|1,0,1]=4 3933 B10R0.74 CCOCCNNC(=O)CC 22a_100000732670_100000210414 [0,2,0,0,0,0|2,0,0]=4 3934 B10R0.74 CCOCCNNC(=O)CO 22a_100000732670_100000210174 [0,2,0,0,0,0|2,0,0]=4 3935 B10R0.74 CCOCCNNC(=O)NC 273464a_100102657272_100000732670 [0,2,0,0,0,0|2,0,0]=4 3936 B10R0.74 CCOCCNNC(=O)NC 512a_100000732670_100102657272 [0,2,0,0,0,0|2,0,0]=4 3937 B10R0.74 CCOCCNNC(=O)NC 512a_106832991638_100000732670 [0,2,0,0,0,0|2,0,0]=4 3938 B10R0.74 CCOCCOCC(=O)CC 34a_100000725409_100000210147 [0,2,0,0,0,0|1,0,1]=4 3939 B10R0.74 CCOCCOCC(=O)CC 7a_100000210136_100000747405 [0,2,0,0,0,0|1,0,1]=4 3940 B10R0.74 CCOCCOCC(=O)NC 34a_100000210136_100000183359 [0,2,0,0,0,0|1,0,1]=4 3941 B10R0.74 CCOCCOCC(=O)NC 34a_100000750040_100000210147 [0,2,0,0,0,0|1,0,1]=4 3942 B10R0.74 CCOCCOCC(=O)NC 7a_100000210136_100000183359 [0,2,0,0,0,0|1,0,1]=4 3943 B10R0.74 CCOCCOCC(=O)OC 34a_100000210136_100000747449 [0,2,0,0,0,0|1,0,1]=4 3944 B10R0.74 CCOCCOCC(=O)OC 34a_100121572206_100000090808 [0,2,0,0,0,0|1,0,1]=4 3945 B10R0.74 CCOCCOCC(=O)OC 7a_100000210136_100000747449 [0,2,0,0,0,0|1,0,1]=4 3946 B10R0.74 CCOCCSCC(=O)CC 62a_100000210147_100000747405 [0,2,0,0,0,0|1,0,1]=4 3947 B10R0.74 CCOCCSCC(=O)CC 62a_100000747405_100011215890 [0,2,0,0,0,0|1,0,1]=4 3948 B10R0.74 CCOCCSCC(=O)NC 62a_100000183359_100011215890 [0,2,0,0,0,0|1,0,1]=4 3949 B10R0.74 CCOCCSCC(=O)NC 62a_100000210147_100000183359 [0,2,0,0,0,0|1,0,1]=4 3950 B10R0.74 CCOCCSCC(=O)OC 62a_100000210147_100000747449 [0,2,0,0,0,0|1,0,1]=4 3951 B10R0.74 CCOCCSCC(=O)OC 62a_100000747449_100011215890 [0,2,0,0,0,0|1,0,1]=4 3952 B10R0.74 CCSCCCCC(=O)OC 62a_100000204269_100000210202 [0,2,0,0,0,0|0,0,2]=4 3953 B10R0.74 CCSCCCCC(=O)OC 62a_100000210202_100000204269 [0,2,0,0,0,0|0,0,2]=4 3954 B10R0.74 CCSCCNCC(=O)NC 2230a_100000106463_100000183359 [0,2,0,0,0,0|1,0,1]=4 3955 B10R0.74 CCSCCNCC(=O)NC 2230a_100000693194_100000757381 [0,2,0,0,0,0|1,0,1]=4 3956 B10R0.74 CCSCCNCC(=O)OC 2230a_100000106463_100000747449 [0,2,0,0,0,0|1,0,1]=4 3957 B10R0.74 CCSCCOCC(=O)CC 34a_100000725409_100000757381 [0,2,0,0,0,0|1,0,1]=4 3958 B10R0.74 CCSCCOCC(=O)CC 7a_100000212035_100000747405 [0,2,0,0,0,0|1,0,1]=4 3959 B10R0.74 CCSCCOCC(=O)NC 34a_100000212035_100000183359 [0,2,0,0,0,0|1,0,1]=4 3960 B10R0.74 CCSCCOCC(=O)NC 34a_100000750040_100000757381 [0,2,0,0,0,0|1,0,1]=4 3961 B10R0.74 CCSCCOCC(=O)NC 7a_100000212035_100000183359 [0,2,0,0,0,0|1,0,1]=4 3962 B10R0.74 CCSCCOCC(=O)OC 34a_100000212035_100000747449 [0,2,0,0,0,0|1,0,1]=4 3963 B10R0.74 CCSCCOCC(=O)OC 62a_100000090808_100000210202 [0,2,0,0,0,0|1,0,1]=4 3964 B10R0.74 CCSCCOCC(=O)OC 62a_100000210202_100000090808 [0,2,0,0,0,0|1,0,1]=4 3965 B10R0.74 CCSCCOCC(=O)OC 7a_100000212035_100000747449 [0,2,0,0,0,0|1,0,1]=4 3966 B10R0.74 CCSCCSCC(=O)CC 62a_100000747405_100000757381 [0,2,0,0,0,0|1,0,1]=4 3967 B10R0.74 CCSCCSCC(=O)CC 62a_100000757381_100000747405 [0,2,0,0,0,0|1,0,1]=4 3968 B10R0.74 CCSCCSCC(=O)NC 62a_100000183359_100000757381 [0,2,0,0,0,0|1,0,1]=4 3969 B10R0.74 CCSCCSCC(=O)NC 62a_100000757381_100000183359 [0,2,0,0,0,0|1,0,1]=4 3970 B10R0.74 CCSCCSCC(=O)OC 62a_100000747449_100000757381 [0,2,0,0,0,0|1,0,1]=4 3971 B10R0.74 CCSCCSCC(=O)OC 62a_100000757381_100000747449 [0,2,0,0,0,0|1,0,1]=4 3972 B10R0.74 CNC(=O)CCCCCCO 240690a_100102657272_100011996774 [0,2,0,0,0,0|0,0,2]=4 3973 B10R0.74 CNC(=O)CCCCCOC 11a_106832991635_100011935119 [0,2,0,0,0,0|0,0,2]=4 3974 B10R0.74 CNC(=O)CCCCCOC 1626a_100102657272_100011935119 [0,2,0,0,0,0|0,0,2]=4 3975 B10R0.74 CNC(=O)CCCCCOC 240690a_100102657272_100011935119 [0,2,0,0,0,0|0,0,2]=4 3976 B10R0.74 CNC(=O)CCCCCOC 527a_100102657272_100011935119 [0,2,0,0,0,0|0,0,2]=4 3977 B10R0.74 CNC(=O)CNCCCCF 2230a_100000693194_100000729493 [0,2,0,0,0,0|1,0,1]=4 3978 B10R0.74 CNC(=O)CNCCCCO 2230a_100000693194_100000210776 [0,2,0,0,0,0|1,0,1]=4 3979 B10R0.74 CNC(=O)CNCCCCO 2230a_100000750430_100000183359 [0,2,0,0,0,0|1,0,1]=4 3980 B10R0.74 CNC(=O)CNCCCCO 34a_100000750430_100000183359 [0,2,0,0,0,0|1,0,1]=4 3981 B10R0.74 CNC(=O)CNCCCOC 2230a_100000693194_100000740836 [0,2,0,0,0,0|1,0,1]=4 3982 B10R0.74 CNC(=O)CNCCCOC 34a_100150723488_100000183359 [0,2,0,0,0,0|1,0,1]=4 3983 B10R0.74 CNC(=O)CNCCCSC 2230a_100000749238_100000183359 [0,2,0,0,0,0|1,0,1]=4 3984 B10R0.74 CNC(=O)COCCCCBr 34a_100011216708_100000183359 [0,2,0,0,0,0|1,0,1]=4 3985 B10R0.74 CNC(=O)COCCCCCl 34a_100000210776_100000183359 [0,2,0,0,0,0|1,0,1]=4 3986 B10R0.74 CNC(=O)COCCCCCl 7a_100000210776_100000183359 [0,2,0,0,0,0|1,0,1]=4 3987 B10R0.74 CNC(=O)COCCCCF 34a_100000750040_100000729493 [0,2,0,0,0,0|1,0,1]=4 3988 B10R0.74 CNC(=O)COCCCCF 34a_100011995726_100000183359 [0,2,0,0,0,0|1,0,1]=4 3989 B10R0.74 CNC(=O)COCCCCF 7a_100011995726_100000183359 [0,2,0,0,0,0|1,0,1]=4 3990 B10R0.74 CNC(=O)COCCCCI 34a_200012148704_100000183359 [0,2,0,0,0,0|1,0,1]=4 3991 B10R0.74 CNC(=O)COCCCCN 34a_100000750430_100000183359 [0,2,0,0,0,0|1,0,1]=4 3992 B10R0.74 CNC(=O)COCCCCO 34a_100000750040_100011216708 [0,2,0,0,0,0|1,0,1]=4 3993 B10R0.74 CNC(=O)COCCCOC 34a_100000740835_100000183359 [0,2,0,0,0,0|1,0,1]=4 3994 B10R0.74 CNC(=O)COCCCOC 34a_100000750040_100000740836 [0,2,0,0,0,0|1,0,1]=4 3995 B10R0.74 CNC(=O)COCCCSC 34a_100000690336_100000183359 [0,2,0,0,0,0|1,0,1]=4 3996 B10R0.74 CNC(=O)COCCCSC 7a_100000690336_100000183359 [0,2,0,0,0,0|1,0,1]=4 3997 B10R0.74 CNC(=O)CSCCCCF 62a_100000183359_100000729493 [0,2,0,0,0,0|1,0,1]=4 3998 B10R0.74 CNC(=O)CSCCCCF 62a_100000729493_100000183359 [0,2,0,0,0,0|1,0,1]=4 3999 B10R0.74 CNC(=O)CSCCCCO 62a_100000183359_100000210776 [0,2,0,0,0,0|1,0,1]=4 4000 B10R0.74 CNC(=O)CSCCCCO 62a_100000210776_100000183359 [0,2,0,0,0,0|1,0,1]=4 4001 B10R0.74 CNC(=O)CSCCCOC 62a_100000183359_100000709357 [0,2,0,0,0,0|1,0,1]=4 4002 B10R0.74 CNC(=O)CSCCCOC 62a_100000709357_100000183359 [0,2,0,0,0,0|1,0,1]=4 4003 B10R0.74 CNC(=O)NCCCCCO 2708a_100102657272_100000762737 [0,2,0,0,0,0|1,0,1]=4 4004 B10R0.74 CNC(=O)NCCCCCO 273464a_100000762737_100102657272 [0,2,0,0,0,0|1,0,1]=4 4005 B10R0.74 CNC(=O)NCCCCCO 273464a_100102657272_100000762737 [0,2,0,0,0,0|1,0,1]=4 4006 B10R0.74 CNC(=O)NCCCCCO 512a_100000762737_100102657272 [0,2,0,0,0,0|1,0,1]=4 4007 B10R0.74 CNC(=O)NCCCCCO 512a_106832991638_100000762737 [0,2,0,0,0,0|1,0,1]=4 4008 B10R0.74 CNC(=O)NNCCCOC 273464a_100102657272_100025702787 [0,2,0,0,0,0|2,0,0]=4 4009 B10R0.74 CNC(=O)NNCCCOC 512a_106832991638_100025702787 [0,2,0,0,0,0|2,0,0]=4 4010 B10R0.74 CNCCCCCC(=O)OC 2230a_106832991635_100009816466 [0,2,0,0,0,0|0,0,2]=4 4011 B10R0.74 CNCCCCCC(=O)OC 34a_100102657272_100009816466 [0,2,0,0,0,0|0,0,2]=4 4012 B10R0.74 CNCCCCCC(=O)OC 7a_106832991635_100009816466 [0,2,0,0,0,0|0,0,2]=4 4013 B10R0.74 CNCCCOCC(=O)NC 34a_100000213112_100000183359 [0,2,0,0,0,0|1,0,1]=4 4014 B10R0.74 CNCCCOCC(=O)OC 34a_100000213112_100000747449 [0,2,0,0,0,0|1,0,1]=4 4015 B10R0.74 COC(=O)/C=C/CNCCF 34a_100000724931_100000742655 [0,2,0,0,0,0|1,0,0]=3 4016 B10R0.74 COC(=O)/C=C/CNCCO 2230a_100016997473_100000742655 [0,2,0,0,0,0|1,0,0]=3 4017 B10R0.74 COC(=O)/C=C/CNCCO 34a_100016990907_100000742655 [0,2,0,0,0,0|1,0,0]=3 4018 B10R0.74 COC(=O)/C=C/COCCBr 34a_100000211926_100000742655 [0,2,0,0,0,0|1,0,0]=3 4019 B10R0.74 COC(=O)/C=C/COCCN 34a_100000210304_100000742655 [0,2,0,0,0,0|1,0,0]=3 4020 B10R0.74 COC(=O)/C=C/CSCC#N 62a_100000742655_100011215382 [0,2,0,0,0,0|1,0,1]=4 4021 B10R0.74 COC(=O)/C=C/CSCC#N 62a_100011215382_100000742655 [0,2,0,0,0,0|1,0,1]=4 4022 B10R0.74 COC(=O)/C=C/CSCC=O 62a_100000742655_200015260668 [0,2,0,0,0,0|1,0,1]=4 4023 B10R0.74 COC(=O)/C=C/CSCC=O 62a_200015260668_100000742655 [0,2,0,0,0,0|1,0,1]=4 4024 B10R0.74 COC(=O)/C=C/CSCCF 62a_100000742655_100011217306 [0,2,0,0,0,0|1,0,0]=3 4025 B10R0.74 COC(=O)/C=C/CSCCF 62a_100011217306_100000742655 [0,2,0,0,0,0|1,0,0]=3 4026 B10R0.74 COC(=O)/C=C/CSCCO 62a_100000211926_100000742655 [0,2,0,0,0,0|1,0,0]=3 4027 B10R0.74 COC(=O)/C=C/CSCCO 62a_100000742655_100000211926 [0,2,0,0,0,0|1,0,0]=3 4028 B10R0.74 COC(=O)/C=C/CSCSC 62a_100000742655_100011218213 [0,2,0,0,0,0|1,0,0]=3 4029 B10R0.74 COC(=O)/C=C/CSCSC 62a_100011218213_100000742655 [0,2,0,0,0,0|1,0,0]=3 4030 B10R0.74 COC(=O)CCCCCO[13CH3] 34a_100000074720_200025704644 [0,2,0,0,0,0|0,0,2]=4 4031 B10R0.74 COC(=O)CCCCCO[13CH3] 7a_100000074720_200025704644 [0,2,0,0,0,0|0,0,2]=4 4032 B10R0.74 COC(=O)CCCCCSC 62a_100009816466_200000210301 [0,2,0,0,0,0|0,0,2]=4 4033 B10R0.74 COC(=O)CCCCCSC 62a_200000210301_100009816466 [0,2,0,0,0,0|0,0,2]=4 4034 B10R0.74 COC(=O)CCCCCS[13CH3] 62a_100009816466_200025704644 [0,2,0,0,0,0|0,0,2]=4 4035 B10R0.74 COC(=O)CCCCCS[13CH3] 62a_200025704644_100009816466 [0,2,0,0,0,0|0,0,2]=4 4036 B10R0.74 COC(=O)CNCCCCO 2230a_100000750430_100000747449 [0,2,0,0,0,0|1,0,1]=4 4037 B10R0.74 COC(=O)CNCCCCO 34a_100000750430_100000747449 [0,2,0,0,0,0|1,0,1]=4 4038 B10R0.74 COC(=O)CNCCCSC 2230a_100000749238_100000747449 [0,2,0,0,0,0|1,0,1]=4 4039 B10R0.74 COC(=O)COCCCCBr 34a_100011216708_100000747449 [0,2,0,0,0,0|1,0,1]=4 4040 B10R0.74 COC(=O)COCCCCCl 34a_100000210776_100000747449 [0,2,0,0,0,0|1,0,1]=4 4041 B10R0.74 COC(=O)COCCCCCl 7a_100000210776_100000747449 [0,2,0,0,0,0|1,0,1]=4 4042 B10R0.74 COC(=O)COCCCCF 34a_100011995726_100000747449 [0,2,0,0,0,0|1,0,1]=4 4043 B10R0.74 COC(=O)COCCCCF 7a_100011995726_100000747449 [0,2,0,0,0,0|1,0,1]=4 4044 B10R0.74 COC(=O)COCCCCI 34a_200012148704_100000747449 [0,2,0,0,0,0|1,0,1]=4 4045 B10R0.74 COC(=O)COCCCCN 34a_100000750430_100000747449 [0,2,0,0,0,0|1,0,1]=4 4046 B10R0.74 COC(=O)COCCCSC 34a_100000690336_100000747449 [0,2,0,0,0,0|1,0,1]=4 4047 B10R0.74 COC(=O)COCCCSC 7a_100000690336_100000747449 [0,2,0,0,0,0|1,0,1]=4 4048 B10R0.74 COC(=O)CSCCCCF 62a_100000729493_100000747449 [0,2,0,0,0,0|1,0,1]=4 4049 B10R0.74 COC(=O)CSCCCCF 62a_100000747449_100000729493 [0,2,0,0,0,0|1,0,1]=4 4050 B10R0.74 COC(=O)CSCCCCO 62a_100000210776_100000747449 [0,2,0,0,0,0|1,0,1]=4 4051 B10R0.74 COC(=O)CSCCCCO 62a_100000747449_100000210776 [0,2,0,0,0,0|1,0,1]=4 4052 B10R0.74 COCCCCCC(=O)CF 1458a_100011935119_100015361967 [0,2,0,0,0,0|0,0,2]=4 4053 B10R0.74 COCCCCCC(=O)OC 34a_100000074720_200000210301 [0,2,0,0,0,0|0,0,2]=4 4054 B10R0.74 COCCCCCC(=O)OC 34a_100138415774_100009816466 [0,2,0,0,0,0|0,0,2]=4 4055 B10R0.74 COCCCCCC(=O)OC 7a_100000074720_200000210301 [0,2,0,0,0,0|0,0,2]=4 4056 B10R0.74 COCCCNCC(=O)OC 34a_100150723488_100000747449 [0,2,0,0,0,0|1,0,1]=4 4057 B10R0.74 COCCCNNC(=O)CO 22a_100025702787_100000210174 [0,2,0,0,0,0|2,0,0]=4 4058 B10R0.74 COCCCOCC(=O)OC 34a_100000740835_100000747449 [0,2,0,0,0,0|1,0,1]=4 4059 B10R0.74 COCCCSCC(=O)OC 62a_100000709357_100000747449 [0,2,0,0,0,0|1,0,1]=4 4060 B10R0.74 COCCCSCC(=O)OC 62a_100000747449_100000709357 [0,2,0,0,0,0|1,0,1]=4 4061 B10R0.74 COCSC/C=C/C(=O)OC 62a_100000742655_100000766300 [0,2,0,0,0,0|1,0,0]=3 4062 B10R0.74 COCSC/C=C/C(=O)OC 62a_100000766300_100000742655 [0,2,0,0,0,0|1,0,0]=3 4063 B10R0.74 O=C(CF)CCCCCCO 1458a_100011996774_100015361967 [0,2,0,0,0,0|0,0,2]=4 4064 B10R0.74 O=C(CO)CCCCCCF 1458a_100000210174_100015922095 [0,2,0,0,0,0|0,0,2]=4 4065 B10R0.74 O=C(CO)CCCCCCO 1458a_100000210174_100000766143 [0,2,0,0,0,0|0,0,2]=4 4066 B10R0.74 O=C(CO)NCCCCCO 240690a_100000762737_100000210174 [0,2,0,0,0,0|1,0,1]=4 4067 B10R0.75 C=C(C)C(=NNCCCC)C 4a_100025702795_100011216138 [0,2,0,0,0,0|2,0,0]=4 4068 B10R0.75 C=C(C)C(=O)CCCCCC 1458a_100000185857_100000210757 [0,2,0,0,0,0|0,0,2]=4 4069 B10R0.75 C=C(C)C(=O)CCCCCF 1458a_100000185857_100000729378 [0,2,0,0,0,0|1,0,1]=4 4070 B10R0.75 C=C(C)C(=O)CCCCCO 1458a_100000185857_100000746330 [0,2,0,0,0,0|1,0,1]=4 4071 B10R0.75 C=C(C)C(=O)CCCCOC 1458a_100000185857_100000755781 [0,2,0,0,0,0|1,0,1]=4 4072 B10R0.75 C=C(C)C(=O)CCCOCC 1458a_100000185857_100012232248 [0,2,0,0,0,0|1,0,1]=4 4073 B10R0.75 C=C(C)C(=O)CCOCCC 1458a_100000185857_100011215938 [0,2,0,0,0,0|1,0,1]=4 4074 B10R0.75 C=C(C)C(=O)COCCCC 1458a_100000185857_100011995733 [0,2,0,0,0,0|1,0,1]=4 4075 B10R0.75 C=C(C)C(=O)NCCCCC 11a_100000209983_100000185857 [0,2,0,0,0,0|1,0,1]=4 4076 B10R0.75 C=C(C)C(=O)NCCCCC 1626a_100000209983_100000185857 [0,2,0,0,0,0|1,0,1]=4 4077 B10R0.75 C=C(C)C(=O)NCCCNC 2230a_100016987756_200000210301 [0,2,0,0,0,0|2,0,0]=4 4078 B10R0.75 C=C(C)C(=O)NCCCN[13CH3] 2230a_100016987756_200025704644 [0,2,0,0,0,0|2,0,0]=4 4079 B10R0.75 C=C(C)C(=O)NCCCOC 1626a_100150723488_100000185857 [0,2,0,0,0,0|2,0,0]=4 4080 B10R0.75 C=C(C)C(=O)NCCCSC 11a_100000749238_100000185857 [0,2,0,0,0,0|2,0,0]=4 4081 B10R0.75 C=C(C)C(=O)NCCCSC 1626a_100000749238_100000185857 [0,2,0,0,0,0|2,0,0]=4 4082 B10R0.75 C=C(C)C(=O)NCCNCC 2230a_100102636416_100000210202 [0,2,0,0,0,0|2,0,0]=4 4083 B10R0.75 C=C(C)C(=O)NCCOCC 11a_100011200944_100000185857 [0,2,0,0,0,0|2,0,0]=4 4084 B10R0.75 C=C(C)C(=O)NCCOCC 1626a_102516460346_100000185857 [0,2,0,0,0,0|2,0,0]=4 4085 B10R0.75 C=C(C)C(=O)NCCSCC 11a_100000106463_100000185857 [0,2,0,0,0,0|2,0,0]=4 4086 B10R0.75 C=C(C)C(=O)NCCSCC 1626a_100000106463_100000185857 [0,2,0,0,0,0|2,0,0]=4 4087 B10R0.75 C=C(C)C(=O)NNCCCC 22a_100025702795_100000185857 [0,2,0,0,0,0|2,0,0]=4 4088 B10R0.75 C=C(C)C(=O)OCCCOC 7a_100000032641_200000210301 [0,2,0,0,0,0|2,0,0]=4 4089 B10R0.75 C=C(C)C(=O)OCCCO[13CH3] 7a_100000032641_200025704644 [0,2,0,0,0,0|2,0,0]=4 4090 B10R0.75 C=C(C)C(=O)OCCNCC 2230a_100015525214_100009816335 [0,2,0,0,0,0|2,0,0]=4 4091 B10R0.75 C=C(C)C(=O)OCCOCC 34a_100121572206_100009816335 [0,2,0,0,0,0|2,0,0]=4 4092 B10R0.75 C=C(C)C(=O)OCCSCC 62a_100000210202_100009816335 [0,2,0,0,0,0|2,0,0]=4 4093 B10R0.75 C=C(C)C(=O)OCCSCC 62a_100009816335_100000210202 [0,2,0,0,0,0|2,0,0]=4 4094 B10R0.75 CC(=O)C(=O)CNCCCF 34a_100015189416_100011261029 [0,2,0,0,0,0|1,0,1]=4 4095 B10R0.75 CC(=O)C(=O)COCCCBr 34a_100011217188_100011261029 [0,2,0,0,0,0|1,0,1]=4 4096 B10R0.75 CC(=O)C(=O)COCCCCl 34a_100000230001_100011261029 [0,2,0,0,0,0|1,0,1]=4 4097 B10R0.75 CC(=O)C(=O)COCCCF 34a_100000759539_100011261029 [0,2,0,0,0,0|1,0,1]=4 4098 B10R0.75 CC(=O)C(=O)COCCCN 34a_100000182051_100011261029 [0,2,0,0,0,0|1,0,1]=4 4099 B10R0.75 CC(=O)C(=O)CSCCCF 62a_100011261029_100011934791 [0,2,0,0,0,0|1,0,1]=4 4100 B10R0.75 CC(=O)C(=O)CSCCCF 62a_100011934791_100011261029 [0,2,0,0,0,0|1,0,1]=4 4101 B10R0.75 CC(=O)C(=O)CSCCCO 62a_100011215043_100011261029 [0,2,0,0,0,0|1,0,1]=4 4102 B10R0.75 CC(=O)C(=O)CSCCCO 62a_100011261029_100011215043 [0,2,0,0,0,0|1,0,1]=4 4103 B10R0.75 CC(=O)C(C)NCCCCO 2230a_100000750430_100009814033 [0,2,0,0,0,0|1,0,1]=4 4104 B10R0.75 CC(=O)C(C)OCCCCCl 7a_100000210776_100000179758 [0,2,0,0,0,0|1,0,1]=4 4105 B10R0.75 CC(=O)C(C)OCCCCF 34a_100000212229_100000729493 [0,2,0,0,0,0|1,0,1]=4 4106 B10R0.75 CC(=O)C(C)OCCCCF 7a_100011995726_100000179758 [0,2,0,0,0,0|1,0,1]=4 4107 B10R0.75 CC(=O)C(C)OCCCCO 34a_100000212229_100011216708 [0,2,0,0,0,0|1,0,1]=4 4108 B10R0.75 CC(=O)C(C)SCCCCF 62a_100000729493_100009814033 [0,2,0,0,0,0|1,0,1]=4 4109 B10R0.75 CC(=O)C(C)SCCCCF 62a_100009814033_100000729493 [0,2,0,0,0,0|1,0,1]=4 4110 B10R0.75 CC(=O)C(C)SCCCCO 62a_100000210776_100009814033 [0,2,0,0,0,0|1,0,1]=4 4111 B10R0.75 CC(=O)C(C)SCCCCO 62a_100009814033_100000210776 [0,2,0,0,0,0|1,0,1]=4 4112 B10R0.75 CC(=O)N(C)CCCCCO 240690a_100000722520_100015343762 [0,2,0,0,0,0|1,0,1]=4 4113 B10R0.75 CCC/C=C/CC(=O)C(C)C 1458a_200016266809_100000210206 [0,2,0,0,0,0|0,0,2]=4 4114 B10R0.75 CCC/C=C/CC(=O)N(C)C 11a_100102631434_200016266809 [0,2,0,0,0,0|0,0,2]=4 4115 B10R0.75 CCC/C=C/CC(=O)N(C)C 1626a_100102631434_200016266809 [0,2,0,0,0,0|0,0,2]=4 4116 B10R0.75 CCC/C=C/CC(=O)N(C)C 240690a_100102631434_200016266809 [0,2,0,0,0,0|0,0,2]=4 4117 B10R0.75 CCC/C=C/CC(=O)N(C)C 527a_100102631434_200016266809 [0,2,0,0,0,0|0,0,2]=4 4118 B10R0.75 CCCCC=CC(=O)C(C)C 1458a_100016266645_100000210206 [0,2,0,0,0,0|0,0,0]=2 4119 B10R0.75 CCCCC=CC(=O)N(C)C 11a_100102631434_100016266645 [0,2,0,0,0,0|0,0,0]=2 4120 B10R0.75 CCCCC=CC(=O)N(C)C 1626a_100102631434_100016266645 [0,2,0,0,0,0|0,0,0]=2 4121 B10R0.75 CCCCC=CC(=O)N(C)C 240690a_100102631434_100016266645 [0,2,0,0,0,0|0,0,0]=2 4122 B10R0.75 CCCCCCC(=O)C(C)C 1458a_100000210198_100000210757 [0,2,0,0,0,0|0,0,2]=4 4123 B10R0.75 CCCCCCC(=O)C(C)C 1458a_100102632555_100000210206 [0,2,0,0,0,0|0,0,2]=4 4124 B10R0.75 CCCCCCC(=O)C(C)F 1458a_100000062450_100000210757 [0,2,0,0,0,0|0,0,2]=4 4125 B10R0.75 CCCCCCC(=O)C(O)O 1458a_100000233687_100000210757 [0,2,0,0,0,0|0,0,2]=4 4126 B10R0.75 CCCCCCC(=O)N(C)C 11a_100102631434_100102632555 [0,2,0,0,0,0|0,0,2]=4 4127 B10R0.75 CCCCCCC(=O)N(C)C 1626a_100102631434_100102632555 [0,2,0,0,0,0|0,0,2]=4 4128 B10R0.75 CCCCCCC(=O)N(C)C 240690a_100102631434_100102632555 [0,2,0,0,0,0|0,0,2]=4 4129 B10R0.75 CCCCCCC(=O)N(C)C 527a_100102631434_100102632555 [0,2,0,0,0,0|0,0,2]=4 4130 B10R0.75 CCCCCCC(=O)[C@@H](C)O 1458a_100000717761_100000210757 [0,2,0,0,0,0|0,0,2]=4 4131 B10R0.75 CCCCCCC(=O)[C@H](C)O 1458a_217856618621_100000210757 [0,2,0,0,0,0|0,0,2]=4 4132 B10R0.75 CCCCCCC(C)C(=O)C 1458a_100000070787_100011215978 [0,2,0,0,0,0|0,0,2]=4 4133 B10R0.75 CCCCCCC(O)C(=O)C 1458a_100011215828_200000210301 [0,2,0,0,0,0|0,0,2]=4 4134 B10R0.75 CCCCCCC(O)C(=O)[13CH3] 1458a_100011215828_200025704644 [0,2,0,0,0,0|0,0,2]=4 4135 B10R0.75 CCCCCCN(C)C(=O)C 11a_106256046315_100015343762 [0,2,0,0,0,0|0,0,2]=4 4136 B10R0.75 CCCCCCN(C)C(=O)C 1626a_106256046315_100015343762 [0,2,0,0,0,0|0,0,2]=4 4137 B10R0.75 CCCCCCN(C)C(=O)C 240690a_106256046315_100015343762 [0,2,0,0,0,0|0,0,2]=4 4138 B10R0.75 CCCCCCN(C)C(=O)C 527a_106256046315_100103153847 [0,2,0,0,0,0|0,0,2]=4 4139 B10R0.75 CCCCCNC(=O)C(=O)N 240690a_100000209983_100011215815 [0,2,0,0,0,0|1,0,1]=4 4140 B10R0.75 CCCCCNC(=O)C(C)C 11a_100000209983_100000210198 [0,2,0,0,0,0|1,0,1]=4 4141 B10R0.75 CCCCCNC(=O)C(C)C 1626a_100000209983_100000210198 [0,2,0,0,0,0|1,0,1]=4 4142 B10R0.75 CCCCCNC(=O)C(C)C 240690a_100000209983_100000210198 [0,2,0,0,0,0|1,0,1]=4 4143 B10R0.75 CCCCCNC(=O)C(C)C 527a_100000209983_100000210198 [0,2,0,0,0,0|1,0,1]=4 4144 B10R0.75 CCCCCNC(=O)C(C)F 11a_100000209983_100000062450 [0,2,0,0,0,0|1,0,1]=4 4145 B10R0.75 CCCCCNC(=O)C(C)F 1626a_100000209983_100000062450 [0,2,0,0,0,0|1,0,1]=4 4146 B10R0.75 CCCCCNC(=O)C(C)F 240690a_100000209983_100000062450 [0,2,0,0,0,0|1,0,1]=4 4147 B10R0.75 CCCCCNC(=O)C(C)F 527a_100000209983_100000062450 [0,2,0,0,0,0|1,0,1]=4 4148 B10R0.75 CCCCCNC(=O)C(F)F 11a_100000209983_100000210393 [0,2,0,0,0,0|1,0,1]=4 4149 B10R0.75 CCCCCNC(=O)C(F)F 1626a_100000209983_100000210393 [0,2,0,0,0,0|1,0,1]=4 4150 B10R0.75 CCCCCNC(=O)C(F)F 240690a_100000209983_100000210393 [0,2,0,0,0,0|1,0,1]=4 4151 B10R0.75 CCCCCNC(=O)C(F)F 527a_100000209983_100000210393 [0,2,0,0,0,0|1,0,1]=4 4152 B10R0.75 CCCCCNC(=O)C(O)O 240690a_100000209983_100000233687 [0,2,0,0,0,0|1,0,1]=4 4153 B10R0.75 CCCCCNC(=O)N(C)C 2708a_100000209983_100102631434 [0,2,0,0,0,0|1,0,1]=4 4154 B10R0.75 CCCCCNC(=O)[C@@H](C)O 240690a_100000209983_100000717761 [0,2,0,0,0,0|1,0,1]=4 4155 B10R0.75 CCCCCNC(=O)[C@H](C)O 1626a_100000209983_217856618621 [0,2,0,0,0,0|1,0,1]=4 4156 B10R0.75 CCCCCNC(=O)[C@H](C)O 240690a_100000209983_217856618621 [0,2,0,0,0,0|1,0,1]=4 4157 B10R0.75 CCCCCNC(C)C(=O)C 2230a_100000209983_100009814033 [0,2,0,0,0,0|0,0,2]=4 4158 B10R0.75 CCCCCOC(C)C(=O)C 34a_100000212229_100000718602 [0,2,0,0,0,0|0,0,2]=4 4159 B10R0.75 CCCCCOC(C)C(=O)C 7a_100000210253_100000179758 [0,2,0,0,0,0|0,0,2]=4 4160 B10R0.75 CCCCCSC(C)C(=O)C 62a_100000210326_100009814033 [0,2,0,0,0,0|0,0,2]=4 4161 B10R0.75 CCCCCSC(C)C(=O)C 62a_100009814033_100000210326 [0,2,0,0,0,0|0,0,2]=4 4162 B10R0.75 CCCCNCC(=O)C(C)C 2230a_100000102301_100000753385 [0,2,0,0,0,0|1,0,1]=4 4163 B10R0.75 CCCCNCC(=O)C(C)C 7a_106832991798_100000753385 [0,2,0,0,0,0|1,0,1]=4 4164 B10R0.75 CCCCNCC(=O)N(C)C 2230a_100000102301_100000185267 [0,2,0,0,0,0|1,0,1]=4 4165 B10R0.75 CCCCNCC(=O)N(C)C 2230a_100015183351_100000210211 [0,2,0,0,0,0|1,0,1]=4 4166 B10R0.75 CCCCNCC(=O)N(C)C 7a_106832991798_100000692301 [0,2,0,0,0,0|1,0,1]=4 4167 B10R0.75 CCCCNNC(=O)C(=O)N 22a_100025702795_100011215815 [0,2,0,0,0,0|2,0,0]=4 4168 B10R0.75 CCCCNNC(=O)C(C)C 22a_100025702795_100000210198 [0,2,0,0,0,0|2,0,0]=4 4169 B10R0.75 CCCCNNC(=O)C(C)F 22a_100025702795_100000062450 [0,2,0,0,0,0|2,0,0]=4 4170 B10R0.75 CCCCNNC(=O)C(F)F 22a_100025702795_100000210393 [0,2,0,0,0,0|2,0,0]=4 4171 B10R0.75 CCCCNNC(=O)C(O)O 22a_100025702795_100000233687 [0,2,0,0,0,0|2,0,0]=4 4172 B10R0.75 CCCCNNC(=O)[C@@H](C)O 22a_100025702795_100000717761 [0,2,0,0,0,0|2,0,0]=4 4173 B10R0.75 CCCCNNC(=O)[C@H](C)O 22a_100025702795_217856618621 [0,2,0,0,0,0|2,0,0]=4 4174 B10R0.75 CCCCOCC(=O)C(=O)C 34a_100000210227_100011261029 [0,2,0,0,0,0|0,0,1]=3 4175 B10R0.75 CCCCOCC(=O)C(C)C 1458a_100000210198_100011995733 [0,2,0,0,0,0|1,0,1]=4 4176 B10R0.75 CCCCOCC(=O)C(C)C 1458a_100000757543_100000210206 [0,2,0,0,0,0|1,0,1]=4 4177 B10R0.75 CCCCOCC(=O)C(C)C 34a_100000210227_100000753385 [0,2,0,0,0,0|1,0,1]=4 4178 B10R0.75 CCCCOCC(=O)C(C)C 7a_100000210227_100000753385 [0,2,0,0,0,0|1,0,1]=4 4179 B10R0.75 CCCCOCC(=O)C(C)F 1458a_100000062450_100011995733 [0,2,0,0,0,0|1,0,1]=4 4180 B10R0.75 CCCCOCC(=O)C(O)O 1458a_100000233687_100011995733 [0,2,0,0,0,0|1,0,1]=4 4181 B10R0.75 CCCCOCC(=O)N(C)C 11a_100102631434_100000757543 [0,2,0,0,0,0|1,0,1]=4 4182 B10R0.75 CCCCOCC(=O)N(C)C 1626a_100102631434_100000757543 [0,2,0,0,0,0|1,0,1]=4 4183 B10R0.75 CCCCOCC(=O)N(C)C 240690a_100102631434_100000757543 [0,2,0,0,0,0|1,0,1]=4 4184 B10R0.75 CCCCOCC(=O)N(C)C 34a_100000210227_100000692301 [0,2,0,0,0,0|1,0,1]=4 4185 B10R0.75 CCCCOCC(=O)N(C)C 527a_100102631434_100000757543 [0,2,0,0,0,0|1,0,1]=4 4186 B10R0.75 CCCCOCC(=O)N(C)C 7a_100000210227_100000692301 [0,2,0,0,0,0|1,0,1]=4 4187 B10R0.75 CCCCOCC(=O)[C@@H](C)O 1458a_100000717761_100011995733 [0,2,0,0,0,0|1,0,1]=4 4188 B10R0.75 CCCCOCC(=O)[C@H](C)O 1458a_217856618621_100011995733 [0,2,0,0,0,0|1,0,1]=4 4189 B10R0.75 CCCCOCC(C)C(=O)C 34a_100000032740_100000210210 [0,2,0,0,0,0|0,0,2]=4 4190 B10R0.75 CCCCOCC(C)C(=O)C 7a_100000032740_100000210211 [0,2,0,0,0,0|0,0,2]=4 4191 B10R0.75 CCCCSCC(=O)C(=O)C 62a_100000210211_100011261029 [0,2,0,0,0,0|0,0,1]=3 4192 B10R0.75 CCCCSCC(=O)C(=O)C 62a_100011261029_100000210210 [0,2,0,0,0,0|0,0,1]=3 4193 B10R0.75 CCCCSCC(=O)C(C)C 1458a_100000191162_100000210206 [0,2,0,0,0,0|1,0,1]=4 4194 B10R0.75 CCCCSCC(=O)C(C)C 62a_100000210211_100000753385 [0,2,0,0,0,0|1,0,1]=4 4195 B10R0.75 CCCCSCC(=O)C(C)C 62a_100000753385_100000210210 [0,2,0,0,0,0|1,0,1]=4 4196 B10R0.75 CCCCSCC(=O)N(C)C 11a_100102631434_100000191162 [0,2,0,0,0,0|1,0,1]=4 4197 B10R0.75 CCCCSCC(=O)N(C)C 1626a_100102631434_100000191162 [0,2,0,0,0,0|1,0,1]=4 4198 B10R0.75 CCCCSCC(=O)N(C)C 240690a_100102631434_100000191162 [0,2,0,0,0,0|1,0,1]=4 4199 B10R0.75 CCCCSCC(=O)N(C)C 527a_100102631434_100000191162 [0,2,0,0,0,0|1,0,1]=4 4200 B10R0.75 CCCCSCC(=O)N(C)C 62a_100000210211_100000692301 [0,2,0,0,0,0|1,0,1]=4 4201 B10R0.75 CCCCSCC(=O)N(C)C 62a_100000692301_100000210210 [0,2,0,0,0,0|1,0,1]=4 4202 B10R0.75 CCOCCNC(=O)C(=O)N 240690a_100011200944_100011215815 [0,2,0,0,0,0|2,0,0]=4 4203 B10R0.75 CCOCCNC(C)C(=O)C 2230a_102516460346_100009814033 [0,2,0,0,0,0|1,0,1]=4 4204 B10R0.75 CCOCCOC(C)C(=O)C 1458a_100000743585_200000210301 [0,2,0,0,0,0|1,0,1]=4 4205 B10R0.75 CCOCCOC(C)C(=O)C 34a_100000212229_100000210147 [0,2,0,0,0,0|1,0,1]=4 4206 B10R0.75 CCOCCOC(C)C(=O)C 7a_100000210136_100000179758 [0,2,0,0,0,0|1,0,1]=4 4207 B10R0.75 CCOCCOC(C)C(=O)[13CH3] 1458a_100000743585_200025704644 [0,2,0,0,0,0|1,0,1]=4 4208 B10R0.75 CCOCCSC(C)C(=O)C 62a_100000210147_100009814033 [0,2,0,0,0,0|1,0,1]=4 4209 B10R0.75 CCOCCSC(C)C(=O)C 62a_100009814033_100011215890 [0,2,0,0,0,0|1,0,1]=4 4210 B10R0.75 CCOCSCC(=O)C(=O)C 62a_100000739092_100011261029 [0,2,0,0,0,0|1,0,1]=4 4211 B10R0.75 CCOCSCC(=O)C(=O)C 62a_100011261029_100000739092 [0,2,0,0,0,0|1,0,1]=4 4212 B10R0.75 CCSCCNC(=O)C(=O)N 240690a_100000106463_100011215815 [0,2,0,0,0,0|2,0,0]=4 4213 B10R0.75 CCSCCNC(C)C(=O)C 2230a_100000106463_100009814033 [0,2,0,0,0,0|1,0,1]=4 4214 B10R0.75 CCSCCOC(C)C(=O)C 34a_100000212229_100000757381 [0,2,0,0,0,0|1,0,1]=4 4215 B10R0.75 CCSCCOC(C)C(=O)C 7a_100000212035_100000179758 [0,2,0,0,0,0|1,0,1]=4 4216 B10R0.75 CCSCCSC(C)C(=O)C 62a_100000757381_100009814033 [0,2,0,0,0,0|1,0,1]=4 4217 B10R0.75 CCSCCSC(C)C(=O)C 62a_100009814033_100000757381 [0,2,0,0,0,0|1,0,1]=4 4218 B10R0.75 COCCCNC(=O)C(=O)N 240690a_100150723488_100011215815 [0,2,0,0,0,0|2,0,0]=4 4219 B10R0.75 COCCCOC(C)C(=O)C 34a_100000212229_100000740836 [0,2,0,0,0,0|1,0,1]=4 4220 B10R0.75 COCCCSC(C)C(=O)C 62a_100000709357_100009814033 [0,2,0,0,0,0|1,0,1]=4 4221 B10R0.75 COCCCSC(C)C(=O)C 62a_100009814033_100000709357 [0,2,0,0,0,0|1,0,1]=4 4222 B10R0.75 COCCOCC(=O)C(=O)C 34a_100000210237_100011261029 [0,2,0,0,0,0|1,0,1]=4 4223 B10R0.75 COCCSCC(=O)C(=O)C 62a_100000233755_100011261029 [0,2,0,0,0,0|1,0,1]=4 4224 B10R0.75 COCCSCC(=O)C(=O)C 62a_100011261029_100000233755 [0,2,0,0,0,0|1,0,1]=4 4225 B10R0.75 CSCCCNC(=O)C(=O)N 240690a_100000749238_100011215815 [0,2,0,0,0,0|2,0,0]=4 4226 B10R0.75 CSCCCNC(C)C(=O)C 2230a_100000749238_100009814033 [0,2,0,0,0,0|1,0,1]=4 4227 B10R0.75 CSCCCOC(C)C(=O)C 7a_100000690336_100000179758 [0,2,0,0,0,0|1,0,1]=4 4228 B10R0.75 CSCCOCC(=O)C(=O)C 34a_100000230434_100011261029 [0,2,0,0,0,0|1,0,1]=4 4229 B10R0.75 CSCCSCC(=O)C(=O)C 62a_100000212216_100011261029 [0,2,0,0,0,0|1,0,1]=4 4230 B10R0.75 CSCCSCC(=O)C(=O)C 62a_100011261029_100000751147 [0,2,0,0,0,0|1,0,1]=4 4231 B10R0.75 NC(=O)C(=O)NCCCCO 240690a_100000750430_100011215815 [0,2,0,0,0,0|2,0,0]=4 4232 B10R0.78 C=C(C)CCC(=O)CCCC 1458a_100000210183_100000730704 [0,2,0,0,0,0|1,0,1]=4 4233 B10R0.78 C=C(C)CCC(=O)CCCC 1458a_200000688413_100000210211 [0,2,0,0,0,0|1,0,1]=4 4234 B10R0.78 C=C(C)CNC(=O)CCCC 11a_100000765925_100000210183 [0,2,0,0,0,0|1,0,1]=4 4235 B10R0.78 C=C(C)CNC(=O)CCCC 1626a_100000765925_100000210183 [0,2,0,0,0,0|1,0,1]=4 4236 B10R0.78 C=C(C)CNC(=O)CCCC 240690a_100000765925_100000210183 [0,2,0,0,0,0|1,0,1]=4 4237 B10R0.78 C=C(C)CNC(=O)CCCC 527a_100000765925_100000210183 [0,2,0,0,0,0|1,0,1]=4 4238 B10R0.78 CC(=CCC(=O)CCCF)C 1458a_100011220947_100011934791 [0,2,0,0,0,0|2,0,0]=4 4239 B10R0.78 CC(=CCC(=O)CCCO)C 1458a_100011220947_100011215043 [0,2,0,0,0,0|2,0,0]=4 4240 B10R0.78 CC(=O)NCC(=O)CCCF 1458a_100000194580_100011934791 [0,2,0,0,0,0|1,0,1]=4 4241 B10R0.78 CC(=O)NCC(=O)CCCO 1458a_100000194580_100011215043 [0,2,0,0,0,0|1,0,1]=4 4242 B10R0.78 CC(=O)NC[C@H](C)CCCO 240690a_100160569302_100015343762 [0,2,0,0,0,0|1,0,1]=4 4243 B10R0.78 CC(=O)NC[C@H](C)CCCO 527a_100160569302_100103153847 [0,2,0,0,0,0|1,0,1]=4 4244 B10R0.78 CC(=O)NN=C(C)CCCO 4a_100000189765_100000759063 [0,2,0,0,0,0|2,0,0]=4 4245 B10R0.78 CC(=O)OCC(=O)CCCF 1458a_100000183556_100011934791 [0,2,0,0,0,0|1,0,1]=4 4246 B10R0.78 CC(=O)OCC(=O)CCCO 1458a_100000183556_100011215043 [0,2,0,0,0,0|1,0,1]=4 4247 B10R0.78 CC(=O)SCC(=O)CCCF 1458a_100000049016_100011934791 [0,2,0,0,0,0|1,0,1]=4 4248 B10R0.78 CC(=O)SCC(=O)CCCO 1458a_100000049016_100011215043 [0,2,0,0,0,0|1,0,1]=4 4249 B10R0.78 CCCCC(=NNC(=O)C)C 4a_100000189765_100000210087 [0,2,0,0,0,0|1,0,0]=3 4250 B10R0.78 CCCCC(=O)C=CC(C)C 1458a_100016268746_100000210211 [0,2,0,0,0,0|1,0,1]=4 4251 B10R0.78 CCCCC(=O)CC=C(C)C 1458a_100000210183_100000761012 [0,2,0,0,0,0|1,0,0]=3 4252 B10R0.78 CCCCC(=O)CC=C(C)C 1458a_100011220947_100000210211 [0,2,0,0,0,0|1,0,0]=3 4253 B10R0.78 CCCCC(=O)CCC(=O)N 1458a_100011215257_100000210211 [0,2,0,0,0,0|1,0,1]=4 4254 B10R0.78 CCCCC(=O)CNC(=O)C 1458a_100000194580_100000210211 [0,2,0,0,0,0|0,0,1]=3 4255 B10R0.78 CCCCC(=O)CNC(=O)N 1458a_100000184981_100000210211 [0,2,0,0,0,0|1,0,1]=4 4256 B10R0.78 CCCCC(=O)COC(=O)C 1458a_100000183556_100000210211 [0,2,0,0,0,0|0,0,1]=3 4257 B10R0.78 CCCCC(=O)CSC(=O)C 1458a_100000049016_100000210211 [0,2,0,0,0,0|0,0,1]=3 4258 B10R0.78 CCCCC(=O)NCC(=O)N 11a_100000711301_100000210183 [0,2,0,0,0,0|1,0,1]=4 4259 B10R0.78 CCCCC(=O)NCC(=O)N 240690a_100000711301_100000210183 [0,2,0,0,0,0|1,0,1]=4 4260 B10R0.78 CCCCC(=O)NCC(=O)N 527a_100000711301_100000210183 [0,2,0,0,0,0|1,0,1]=4 4261 B10R0.78 CCCCC(=O)NNC(=O)C 22a_100000189765_100000210183 [0,2,0,0,0,0|1,0,0]=3 4262 B10R0.78 CCCCC(=O)NNC(=O)C 22a_100000189769_100000070787 [0,2,0,0,0,0|1,0,0]=3 4263 B10R0.78 CCCCC(C)CCC(=O)C 1458a_100000033779_200000210301 [0,2,0,0,0,0|0,0,2]=4 4264 B10R0.78 CCCCC(C)CCC(=O)[13CH3] 1458a_100000033779_200025704644 [0,2,0,0,0,0|0,0,2]=4 4265 B10R0.78 CCCCC(C)OCC(=O)C 34a_100000211253_200011215066 [0,2,0,0,0,0|0,0,2]=4 4266 B10R0.78 CCCCN(C)CC=C(C)C 2230a_100000207549_100000761012 [0,2,0,0,0,0|1,0,1]=4 4267 B10R0.78 CCCCN(C)CC=C(C)C 269982a_100000207549_100000761012 [0,2,0,0,0,0|1,0,1]=4 4268 B10R0.78 CCCCN(C)CCC(=O)C 269982a_100000207549_100000053229 [0,2,0,0,0,0|0,0,2]=4 4269 B10R0.78 CCCCN(C)COC(=O)C 269982a_100000207549_100000076356 [0,2,0,0,0,0|1,0,1]=4 4270 B10R0.78 CCCNC(=O)CC=C(C)C 11a_100020643023_100011220947 [0,2,0,0,0,0|2,0,0]=4 4271 B10R0.78 CCCNC(=O)CC=C(C)C 1626a_100020643023_100011220947 [0,2,0,0,0,0|2,0,0]=4 4272 B10R0.78 CCCNC(=O)CC=C(C)C 240690a_100020643023_100011220947 [0,2,0,0,0,0|2,0,0]=4 4273 B10R0.78 CCCNC(=O)CC=C(C)C 527a_100020643023_100011220947 [0,2,0,0,0,0|2,0,0]=4 4274 B10R0.78 CCCNC(=O)CCC(=O)C 1458a_100000199543_200000210301 [0,2,0,0,0,0|1,0,1]=4 4275 B10R0.78 CCCNC(=O)CCC(=O)[13CH3] 1458a_100000199543_200025704644 [0,2,0,0,0,0|1,0,1]=4 4276 B10R0.78 CCCNC(=O)CNC(=O)C 11a_100000174927_100015343762 [0,2,0,0,0,0|1,0,1]=4 4277 B10R0.78 CCCNC(=O)CNC(=O)C 11a_100020643023_100000194580 [0,2,0,0,0,0|1,0,1]=4 4278 B10R0.78 CCCNC(=O)CNC(=O)C 1626a_100000174927_100015343762 [0,2,0,0,0,0|1,0,1]=4 4279 B10R0.78 CCCNC(=O)CNC(=O)C 1626a_100020643023_100000194580 [0,2,0,0,0,0|1,0,1]=4 4280 B10R0.78 CCCNC(=O)CNC(=O)C 240690a_100000174927_100015343762 [0,2,0,0,0,0|1,0,1]=4 4281 B10R0.78 CCCNC(=O)CNC(=O)C 240690a_100020643023_100000194580 [0,2,0,0,0,0|1,0,1]=4 4282 B10R0.78 CCCNC(=O)CNC(=O)C 527a_100000174927_100103153847 [0,2,0,0,0,0|1,0,1]=4 4283 B10R0.78 CCCNC(=O)CNC(=O)C 527a_100020643023_100000194580 [0,2,0,0,0,0|1,0,1]=4 4284 B10R0.78 CCCNC(=O)COC(=O)C 1626a_100020643023_100000183556 [0,2,0,0,0,0|1,0,1]=4 4285 B10R0.78 CCCNC(=O)COC(=O)C 240690a_100020643023_100000183556 [0,2,0,0,0,0|1,0,1]=4 4286 B10R0.78 CCCNC(=O)COC(=O)C 527a_100020643023_100000183556 [0,2,0,0,0,0|1,0,1]=4 4287 B10R0.78 CCCNC(=O)CSC(=O)C 11a_100020643023_100000049016 [0,2,0,0,0,0|1,0,1]=4 4288 B10R0.78 CCCNC(=O)CSC(=O)C 1626a_100020643023_100000049016 [0,2,0,0,0,0|1,0,1]=4 4289 B10R0.78 CCCNC(=O)CSC(=O)C 240690a_100020643023_100000049016 [0,2,0,0,0,0|1,0,1]=4 4290 B10R0.78 CCCNC(=O)NNC(=O)C 273464a_100020643023_100000189765 [0,2,0,0,0,0|2,0,0]=4 4291 B10R0.78 CCCNC(=O)NNC(=O)C 512a_100000189765_100020643023 [0,2,0,0,0,0|2,0,0]=4 4292 B10R0.78 CCCNC(C)COC(=O)C 270004a_100020643023_100000000629 [0,2,0,0,0,0|1,0,1]=4 4293 B10R0.78 CCCOC(=O)OCC(=O)C 1458a_100000070787_200000139673 [0,2,0,0,0,0|1,0,1]=4 4294 B10R0.78 CCCOC(C)CNC(=O)C 11a_100015185124_100015343762 [0,2,0,0,0,0|1,0,1]=4 4295 B10R0.78 CCCOC(C)CNC(=O)C 1626a_100015185124_100015343762 [0,2,0,0,0,0|1,0,1]=4 4296 B10R0.78 CCCOC(C)CNC(=O)C 240690a_100015185124_100015343762 [0,2,0,0,0,0|1,0,1]=4 4297 B10R0.78 CCCOC(C)CNC(=O)C 527a_100015185124_100103153847 [0,2,0,0,0,0|1,0,1]=4 4298 B10R0.78 CCNCC(=O)NNC(=O)C 2230a_100015525214_100000181415 [0,2,0,0,0,0|2,0,0]=4 4299 B10R0.78 CCNCC(C)CSC(=O)C 2230a_100015525214_200000116872 [0,2,0,0,0,0|1,0,1]=4 4300 B10R0.78 CCOCC(=O)CC=C(C)C 1458a_100000211967_100000761012 [0,2,0,0,0,0|2,0,0]=4 4301 B10R0.78 CCOCC(=O)COC(=O)C 34a_100121572206_100000036994 [0,2,0,0,0,0|1,0,1]=4 4302 B10R0.78 CCOCC(=O)NNC(=O)C 22a_100000189765_100000211967 [0,2,0,0,0,0|2,0,0]=4 4303 B10R0.78 CCOCC(=O)NNC(=O)C 22a_100000216846_100000070787 [0,2,0,0,0,0|2,0,0]=4 4304 B10R0.78 CCOCC(C)CSC(=O)C 34a_100121572206_200000116872 [0,2,0,0,0,0|1,0,1]=4 4305 B10R0.78 CCOCC(O)CNC(=O)C 240690a_102515437182_100015343762 [0,2,0,0,0,0|1,0,1]=4 4306 B10R0.78 CCOCC(O)CNC(=O)C 527a_102515437182_100103153847 [0,2,0,0,0,0|1,0,1]=4 4307 B10R0.78 CCOCC(O)COC(=O)C 34a_100121572206_200000139349 [0,2,0,0,0,0|1,0,1]=4 4308 B10R0.78 CCSCC(=NNC(=O)C)C 4a_100000189765_200011216171 [0,2,0,0,0,0|2,0,0]=4 4309 B10R0.78 CCSCC(=O)CC=C(C)C 1458a_100000230394_100000761012 [0,2,0,0,0,0|2,0,0]=4 4310 B10R0.78 CCSCC(=O)COC(=O)C 62a_100000036994_100000210202 [0,2,0,0,0,0|1,0,1]=4 4311 B10R0.78 CCSCC(=O)COC(=O)C 62a_100000210202_100000036994 [0,2,0,0,0,0|1,0,1]=4 4312 B10R0.78 CCSCC(=O)NNC(=O)C 22a_100000189765_100000230394 [0,2,0,0,0,0|2,0,0]=4 4313 B10R0.78 CCSCC(=O)NNC(=O)C 62a_100000181415_100000210202 [0,2,0,0,0,0|2,0,0]=4 4314 B10R0.78 CCSCC(=O)NNC(=O)C 62a_100000210202_100000181415 [0,2,0,0,0,0|2,0,0]=4 4315 B10R0.78 CCSCC(C)CSC(=O)C 62a_100000210202_200000116872 [0,2,0,0,0,0|1,0,1]=4 4316 B10R0.78 CCSCC(C)CSC(=O)C 62a_200000116872_100000210202 [0,2,0,0,0,0|1,0,1]=4 4317 B10R0.78 CCSCC(O)COC(=O)C 62a_100000210202_200000139349 [0,2,0,0,0,0|1,0,1]=4 4318 B10R0.78 CCSCC(O)COC(=O)C 62a_200000139349_100000210202 [0,2,0,0,0,0|1,0,1]=4 4319 B10R0.78 COCCC(=NNC(=O)C)C 4a_100000189765_100000742357 [0,2,0,0,0,0|2,0,0]=4 4320 B10R0.78 COCCC(=O)CC=C(C)C 1458a_100000749529_100000761012 [0,2,0,0,0,0|2,0,0]=4 4321 B10R0.78 COCCC(=O)CC=C(C)C 1458a_100011220947_100000233755 [0,2,0,0,0,0|2,0,0]=4 4322 B10R0.78 COCCC(=O)CNC(=O)C 1458a_100000194580_100000233755 [0,2,0,0,0,0|1,0,1]=4 4323 B10R0.78 COCCC(=O)COC(=O)C 1458a_100000183556_100000233755 [0,2,0,0,0,0|1,0,1]=4 4324 B10R0.78 COCCC(=O)CSC(=O)C 1458a_100000049016_100000233755 [0,2,0,0,0,0|1,0,1]=4 4325 B10R0.78 COCCC(=O)NNC(=O)C 22a_100000189765_100000749529 [0,2,0,0,0,0|2,0,0]=4 4326 B10R0.78 COCCC(=O)NNC(=O)C 22a_100011260505_100000070787 [0,2,0,0,0,0|2,0,0]=4 4327 B10R0.78 CSCCC(=NNC(=O)C)C 4a_100000189765_100011217047 [0,2,0,0,0,0|2,0,0]=4 4328 B10R0.78 CSCCC(=O)CC=C(C)C 1458a_100000174002_100000761012 [0,2,0,0,0,0|2,0,0]=4 4329 B10R0.78 CSCCC(=O)CC=C(C)C 1458a_100011220947_100000751147 [0,2,0,0,0,0|2,0,0]=4 4330 B10R0.78 CSCCC(=O)CNC(=O)C 1458a_100000194580_100000751147 [0,2,0,0,0,0|1,0,1]=4 4331 B10R0.78 CSCCC(=O)COC(=O)C 1458a_100000183556_100000751147 [0,2,0,0,0,0|1,0,1]=4 4332 B10R0.78 CSCCC(=O)CSC(=O)C 1458a_100000049016_100000751147 [0,2,0,0,0,0|1,0,1]=4 4333 B10R0.78 CSCCC(=O)NNC(=O)C 22a_100000189765_100000174002 [0,2,0,0,0,0|2,0,0]=4 4334 B10R0.97 CC(=CC=NNCC(C)O)C 4a_200000730056_100011215525 [0,2,0,0,0,0|2,0,0]=4 4335 B10R0.97 CC(=CCCNCC(C)C)C 2230a_100000210953_100011217483 [0,2,0,0,0,0|1,0,1]=4 4336 B10R0.97 CC(=CCCNCC(C)C)C 34a_100000210953_100011217483 [0,2,0,0,0,0|1,0,1]=4 4337 B10R0.97 CC(=CCCNCC(C)O)C 2230a_100000210904_100011217483 [0,2,0,0,0,0|1,0,1]=4 4338 B10R0.97 CC(=CCCNCC(C)O)C 34a_100000210904_100011217483 [0,2,0,0,0,0|1,0,1]=4 4339 B10R0.97 CC(=CCCOCC(C)Br)C 34a_100012180447_100011217483 [0,2,0,0,0,0|1,0,1]=4 4340 B10R0.97 CC(=CCCOCC(C)C)C 34a_100000210257_100011217483 [0,2,0,0,0,0|1,0,1]=4 4341 B10R0.97 CC(=CCCOCC(C)F)C 34a_100015925927_100011217483 [0,2,0,0,0,0|1,0,1]=4 4342 B10R0.97 CC(=CCCOC[C@@H](C)Cl)C 34a_100016084084_100011217483 [0,2,0,0,0,0|1,0,1]=4 4343 B10R0.97 CC(=CCCOC[C@@H](C)N)C 34a_100000737577_100011217483 [0,2,0,0,0,0|1,0,1]=4 4344 B10R0.97 CC(=CCCSCC(C)C)C 62a_100000210624_100011217483 [0,2,0,0,0,0|1,0,1]=4 4345 B10R0.97 CC(=CCCSCC(C)C)C 62a_100011217483_100000210760 [0,2,0,0,0,0|1,0,1]=4 4346 B10R0.97 CC(=CCCSCC(C)O)C 62a_100011217483_100011218427 [0,2,0,0,0,0|1,0,1]=4 4347 B10R0.97 CC(=CCCSCC(C)O)C 62a_100011218427_100011217483 [0,2,0,0,0,0|1,0,1]=4 4348 B10R0.97 CC(=CCCSC[C@@H](C)O)C 62a_100009817552_100011217483 [0,2,0,0,0,0|1,0,1]=4 4349 B10R0.97 CC(=CCCSC[C@@H](C)O)C 62a_100011217483_100009817552 [0,2,0,0,0,0|1,0,1]=4 4350 B10R0.97 CC(=CCNCCC(C)C)C 34a_100000718196_100000210312 [0,2,0,0,0,0|1,0,1]=4 4351 B10R0.97 CC(=CCNCCC(C)O)C 2230a_200000755665_100000761012 [0,2,0,0,0,0|1,0,1]=4 4352 B10R0.97 CC(=CCNCCC(C)O)C 34a_100000718196_100012276601 [0,2,0,0,0,0|1,0,1]=4 4353 B10R0.97 CC(=CCOCCC(C)Br)C 34a_100009893172_100000761012 [0,2,0,0,0,0|1,0,1]=4 4354 B10R0.97 CC(=CCOCCC(C)C)C 34a_100000210254_100000761012 [0,2,0,0,0,0|1,0,1]=4 4355 B10R0.97 CC(=CCOCCC(C)C)C 34a_100000753907_100000210312 [0,2,0,0,0,0|1,0,1]=4 4356 B10R0.97 CC(=CCOCCC(C)C)C 7a_100000210254_100000761012 [0,2,0,0,0,0|1,0,1]=4 4357 B10R0.97 CC(=CCOCCC(C)O)C 34a_100000753907_100012276601 [0,2,0,0,0,0|1,0,1]=4 4358 B10R0.97 CC(=CCOCC[C@@H](C)N)C 34a_100000706166_100000761012 [0,2,0,0,0,0|1,0,1]=4 4359 B10R0.97 CC(=CCSCCC(C)C)C 62a_100000210312_100000761012 [0,2,0,0,0,0|1,0,1]=4 4360 B10R0.97 CC(=CCSCCC(C)C)C 62a_100000761012_100000210312 [0,2,0,0,0,0|1,0,1]=4 4361 B10R0.97 CC(=CCSCCC(C)O)C 62a_100000761012_100012276601 [0,2,0,0,0,0|1,0,1]=4 4362 B10R0.97 CC(=CCSCCC(C)O)C 62a_100012276601_100000761012 [0,2,0,0,0,0|1,0,1]=4 4363 B10R0.97 CC(=O)CCCCCC(C)C 1458a_100000070787_100000210682 [0,2,0,0,0,0|0,0,2]=4 4364 B10R0.97 CC(=O)CCCCCC(C)C 1458a_100000766313_200000210301 [0,2,0,0,0,0|0,0,2]=4 4365 B10R0.97 CC(=O)CCCCNC(C)C 34a_100138425928_100009817362 [0,2,0,0,0,0|0,0,2]=4 4366 B10R0.97 CC(=O)CCCCOC(=O)C 1458a_100000070787_100000033659 [0,2,0,0,0,0|1,0,1]=4 4367 B10R0.97 CC(=O)CCCCOC(C)C 34a_100000212225_100009817362 [0,2,0,0,0,0|0,0,2]=4 4368 B10R0.97 CC(=O)CCCCSC(=O)C 1458a_100000070787_200010402107 [0,2,0,0,0,0|1,0,1]=4 4369 B10R0.97 CC(=O)CCCCSC(C)C 62a_100000210206_100000735457 [0,2,0,0,0,0|0,0,2]=4 4370 B10R0.97 CC(=O)CCCCSC(C)C 62a_100000735457_100000210206 [0,2,0,0,0,0|0,0,2]=4 4371 B10R0.97 CC(=O)CCCNCC(C)C 34a_100000210953_100000685027 [0,2,0,0,0,0|0,0,2]=4 4372 B10R0.97 CC(=O)CCCNCC(C)O 34a_100000210904_100000685027 [0,2,0,0,0,0|0,0,2]=4 4373 B10R0.97 CC(=O)CCCOCC(=O)C 34a_100000211253_100000685027 [0,2,0,0,0,0|1,0,1]=4 4374 B10R0.97 CC(=O)CCCOCC(C)Br 34a_100012180447_100000685027 [0,2,0,0,0,0|0,0,2]=4 4375 B10R0.97 CC(=O)CCCOCC(C)C 34a_100000210257_100000685027 [0,2,0,0,0,0|0,0,2]=4 4376 B10R0.97 CC(=O)CCCOCC(C)C 34a_100000759063_100000210624 [0,2,0,0,0,0|0,0,2]=4 4377 B10R0.97 CC(=O)CCCOCC(C)C 7a_100000759063_100000210760 [0,2,0,0,0,0|0,0,2]=4 4378 B10R0.97 CC(=O)CCCOCC(C)F 34a_100015925927_100000685027 [0,2,0,0,0,0|0,0,2]=4 4379 B10R0.97 CC(=O)CCCOCC(C)O 34a_100000759063_100011218427 [0,2,0,0,0,0|0,0,2]=4 4380 B10R0.97 CC(=O)CCCOCC(C)O 7a_100000759063_100011218427 [0,2,0,0,0,0|0,0,2]=4 4381 B10R0.97 CC(=O)CCCOC[C@@H](C)Cl 34a_100016084084_100000685027 [0,2,0,0,0,0|0,0,2]=4 4382 B10R0.97 CC(=O)CCCOC[C@@H](C)N 34a_100000737577_100000685027 [0,2,0,0,0,0|0,0,2]=4 4383 B10R0.97 CC(=O)CCCOC[C@@H](C)O 34a_100000759063_100009817552 [0,2,0,0,0,0|0,0,2]=4 4384 B10R0.97 CC(=O)CCCOC[C@@H](C)O 7a_100000759063_100009817552 [0,2,0,0,0,0|0,0,2]=4 4385 B10R0.97 CC(=O)CCCSCC(C)C 62a_100000210624_100011215641 [0,2,0,0,0,0|0,0,2]=4 4386 B10R0.97 CC(=O)CCCSCC(C)C 62a_100011215641_100000210760 [0,2,0,0,0,0|0,0,2]=4 4387 B10R0.97 CC(=O)CCCSCC(C)O 62a_100011215641_100011218427 [0,2,0,0,0,0|0,0,2]=4 4388 B10R0.97 CC(=O)CCCSCC(C)O 62a_100011218427_100011215641 [0,2,0,0,0,0|0,0,2]=4 4389 B10R0.97 CC(=O)CCCSC[C@@H](C)O 62a_100009817552_100011215641 [0,2,0,0,0,0|0,0,2]=4 4390 B10R0.97 CC(=O)CCCSC[C@@H](C)O 62a_100011215641_100009817552 [0,2,0,0,0,0|0,0,2]=4 4391 B10R0.97 CC(=O)CCOCCC(C)C 34a_100000759926_100000210312 [0,2,0,0,0,0|0,0,2]=4 4392 B10R0.97 CC(=O)CCOCCC(C)C 7a_100000210254_100000053229 [0,2,0,0,0,0|0,0,2]=4 4393 B10R0.97 CC(=O)CCOCCC(C)C 7a_100000759926_100000210626 [0,2,0,0,0,0|0,0,2]=4 4394 B10R0.97 CC(=O)CCOCCC(C)O 34a_100000759926_100012276601 [0,2,0,0,0,0|0,0,2]=4 4395 B10R0.97 CC(=O)CCOCCC(C)O 7a_100000759926_100012276601 [0,2,0,0,0,0|0,0,2]=4 4396 B10R0.97 CC(=O)CCSCCC(C)C 62a_100000053229_100000210312 [0,2,0,0,0,0|0,0,2]=4 4397 B10R0.97 CC(=O)CCSCCC(C)C 62a_100000210312_100000053229 [0,2,0,0,0,0|0,0,2]=4 4398 B10R0.97 CC(=O)CCSCCC(C)O 62a_100000053229_100012276601 [0,2,0,0,0,0|0,0,2]=4 4399 B10R0.97 CC(=O)CCSCCC(C)O 62a_100012276601_100000053229 [0,2,0,0,0,0|0,0,2]=4 4400 B10R0.97 CC(=O)COCCCC(C)C 34a_100000211253_100011214892 [0,2,0,0,0,0|0,0,2]=4 4401 B10R0.97 CC(=O)COCCCC(C)O 34a_100000211253_200000718107 [0,2,0,0,0,0|0,0,2]=4 4402 B10R0.97 CC(=O)COCCOC(C)C 34a_100000211253_100000211751 [0,2,0,0,0,0|1,0,1]=4 4403 B10R0.97 CC(=O)COCCSC(C)C 34a_100000211253_100000730970 [0,2,0,0,0,0|1,0,1]=4 4404 B10R0.97 CC(=O)NCCCCN(C)C 240690a_100025707445_100015343762 [0,2,0,0,0,0|1,0,1]=4 4405 B10R0.97 CC(=O)NCCCNC(C)C 34a_100000736810_100000210206 [0,2,0,0,0,0|1,0,1]=4 4406 B10R0.97 CC(=O)NCCCOC(C)C 11a_100000737246_100015343762 [0,2,0,0,0,0|1,0,1]=4 4407 B10R0.97 CC(=O)NCCCOC(C)C 1626a_100000737246_100015343762 [0,2,0,0,0,0|1,0,1]=4 4408 B10R0.97 CC(=O)NCCCOC(C)C 240690a_100000737246_100015343762 [0,2,0,0,0,0|1,0,1]=4 4409 B10R0.97 CC(=O)NCCCOC(C)C 34a_100000752032_100000210206 [0,2,0,0,0,0|1,0,1]=4 4410 B10R0.97 CC(=O)NCCCOC(C)C 527a_100000737246_100103153847 [0,2,0,0,0,0|1,0,1]=4 4411 B10R0.97 CC(=O)NCCNCC(C)C 2230a_100000209853_100000210760 [0,2,0,0,0,0|1,0,1]=4 4412 B10R0.97 CC(=O)NCCNCC(C)C 2230a_100000210953_100000189650 [0,2,0,0,0,0|1,0,1]=4 4413 B10R0.97 CC(=O)NCCNCC(C)O 2230a_100000209853_100011218427 [0,2,0,0,0,0|1,0,1]=4 4414 B10R0.97 CC(=O)NCCNCC(C)O 2230a_100000210904_100000189650 [0,2,0,0,0,0|1,0,1]=4 4415 B10R0.97 CC(=O)NCCNC[C@@H](C)O 2230a_100000209853_100009817552 [0,2,0,0,0,0|1,0,1]=4 4416 B10R0.97 CC(=O)NCCOCC(C)C 34a_100000158858_100000210624 [0,2,0,0,0,0|1,0,1]=4 4417 B10R0.97 CC(=O)NCCOCC(C)O 34a_100000158858_100011218427 [0,2,0,0,0,0|1,0,1]=4 4418 B10R0.97 CC(=O)NCCOC[C@@H](C)O 34a_100000158858_100009817552 [0,2,0,0,0,0|1,0,1]=4 4419 B10R0.97 CC(=O)NCCSCC(C)C 62a_100000189650_100000210760 [0,2,0,0,0,0|1,0,1]=4 4420 B10R0.97 CC(=O)NCCSCC(C)C 62a_100000210624_100000189650 [0,2,0,0,0,0|1,0,1]=4 4421 B10R0.97 CC(=O)NCCSCC(C)O 62a_100000189650_100011218427 [0,2,0,0,0,0|1,0,1]=4 4422 B10R0.97 CC(=O)NCCSCC(C)O 62a_100011218427_100000189650 [0,2,0,0,0,0|1,0,1]=4 4423 B10R0.97 CC(=O)NCCSC[C@@H](C)O 62a_100000189650_100009817552 [0,2,0,0,0,0|1,0,1]=4 4424 B10R0.97 CC(=O)NCCSC[C@@H](C)O 62a_100009817552_100000189650 [0,2,0,0,0,0|1,0,1]=4 4425 B10R0.97 CC(=O)OCCCCN(C)C 269982a_100102631434_100000033659 [0,2,0,0,0,0|1,0,1]=4 4426 B10R0.97 CC(=O)OCCCNC(C)C 34a_100138425928_100000042594 [0,2,0,0,0,0|1,0,1]=4 4427 B10R0.97 CC(=O)OCCCOC(C)C 34a_100000212225_100000042594 [0,2,0,0,0,0|1,0,1]=4 4428 B10R0.97 CC(=O)OCCCSC(C)C 62a_100000042594_100000210206 [0,2,0,0,0,0|1,0,1]=4 4429 B10R0.97 CC(=O)OCCCSC(C)C 62a_100000210206_100000042594 [0,2,0,0,0,0|1,0,1]=4 4430 B10R0.97 CC(=O)OCCNCC(C)C 34a_100000210953_100009814007 [0,2,0,0,0,0|1,0,1]=4 4431 B10R0.97 CC(=O)OCCNCC(C)O 34a_100000210904_100009814007 [0,2,0,0,0,0|1,0,1]=4 4432 B10R0.97 CC(=O)OCCOCC(C)Br 34a_100012180447_100009814007 [0,2,0,0,0,0|1,0,1]=4 4433 B10R0.97 CC(=O)OCCOCC(C)C 34a_100000210257_100009814007 [0,2,0,0,0,0|1,0,1]=4 4434 B10R0.97 CC(=O)OCCOCC(C)F 34a_100015925927_100009814007 [0,2,0,0,0,0|1,0,1]=4 4435 B10R0.97 CC(=O)OCCOC[C@@H](C)Cl 34a_100016084084_100009814007 [0,2,0,0,0,0|1,0,1]=4 4436 B10R0.97 CC(=O)OCCOC[C@@H](C)N 34a_100000737577_100009814007 [0,2,0,0,0,0|1,0,1]=4 4437 B10R0.97 CC(=O)OCCSCC(C)C 62a_100000210624_100009814007 [0,2,0,0,0,0|1,0,1]=4 4438 B10R0.97 CC(=O)OCCSCC(C)C 62a_100009814007_100000210760 [0,2,0,0,0,0|1,0,1]=4 4439 B10R0.97 CC(=O)OCCSCC(C)O 62a_100009814007_100011218427 [0,2,0,0,0,0|1,0,1]=4 4440 B10R0.97 CC(=O)OCCSCC(C)O 62a_100011218427_100009814007 [0,2,0,0,0,0|1,0,1]=4 4441 B10R0.97 CC(=O)OCCSC[C@@H](C)O 62a_100009814007_100009817552 [0,2,0,0,0,0|1,0,1]=4 4442 B10R0.97 CC(=O)OCCSC[C@@H](C)O 62a_100009817552_100009814007 [0,2,0,0,0,0|1,0,1]=4 4443 B10R0.97 CC(=O)OCOCCC(C)Br 34a_100009893172_100009813279 [0,2,0,0,0,0|1,0,1]=4 4444 B10R0.97 CC(=O)OCOCCC(C)C 34a_100000210254_100009813279 [0,2,0,0,0,0|1,0,1]=4 4445 B10R0.97 CC(=O)OCOCC[C@@H](C)N 34a_100000706166_100009813279 [0,2,0,0,0,0|1,0,1]=4 4446 B10R0.97 CC(=O)OCSCCC(C)C 62a_100000076356_100000210312 [0,2,0,0,0,0|1,0,1]=4 4447 B10R0.97 CC(=O)OCSCCC(C)C 62a_100000210312_100000076356 [0,2,0,0,0,0|1,0,1]=4 4448 B10R0.97 CC(=O)OCSCCC(C)O 62a_100000076356_100012276601 [0,2,0,0,0,0|1,0,1]=4 4449 B10R0.97 CC(=O)OCSCCC(C)O 62a_100012276601_100000076356 [0,2,0,0,0,0|1,0,1]=4 4450 B10R0.97 CC(=O)SCCCCN(C)C 2230a_100102631434_200010402107 [0,2,0,0,0,0|1,0,1]=4 4451 B10R0.97 CC(=O)SCCCCN(C)C 269982a_100102631434_200010402107 [0,2,0,0,0,0|1,0,1]=4 4452 B10R0.97 CC(=O)SCCCNC(C)C 2230a_100138425928_100000038929 [0,2,0,0,0,0|1,0,1]=4 4453 B10R0.97 CC(=O)SCCCNC(C)C 34a_100138425928_100000038929 [0,2,0,0,0,0|1,0,1]=4 4454 B10R0.97 CC(=O)SCCCOC(C)C 34a_100000212225_100000038929 [0,2,0,0,0,0|1,0,1]=4 4455 B10R0.97 CC(=O)SCCCSC(C)C 62a_100000038929_100000210206 [0,2,0,0,0,0|1,0,1]=4 4456 B10R0.97 CC(=O)SCCCSC(C)C 62a_100000210206_100000038929 [0,2,0,0,0,0|1,0,1]=4 4457 B10R0.97 CC(C)CCCCCC(=O)[13CH3] 1458a_100000766313_200025704644 [0,2,0,0,0,0|0,0,2]=4 4458 B10R0.18 CCC(=CC(=O)CCCF)C 1458a_100020758463_100011934791 [0,2,0,0,0,0|2,0,0]=4 4459 B10R0.18 CCC(=CC(=O)CCCO)C 1458a_100020758463_100011215043 [0,2,0,0,0,0|2,0,0]=4 4460 B10R0.18 CCC(=CC(=O)CCOC)C 1458a_100020758463_100000233755 [0,2,0,0,0,0|2,0,0]=4 4461 B10R0.18 CCC(=CC(=O)CCSC)C 1458a_100020758463_100000751147 [0,2,0,0,0,0|2,0,0]=4 4462 B10R0.18 CCC(=O)CC(=O)CCOC 1458a_100000749529_100000747405 [0,2,0,0,0,0|1,0,1]=4 4463 B10R0.18 CCC(=O)CC(=O)CCSC 1458a_100000174002_100000747405 [0,2,0,0,0,0|1,0,1]=4 4464 B10R0.18 CCCCC(=O)C=C(C)CC 1458a_100020758463_100000210211 [0,2,0,0,0,0|1,0,0]=3 4465 B10R0.18 CCCCC(=O)CC(=O)CC 1458a_100000210183_100000747405 [0,2,0,0,0,0|0,0,1]=3 4466 B10R0.18 CCCCC(=O)CC(=O)NC 1458a_100000210183_100000183359 [0,2,0,0,0,0|0,0,1]=3 4467 B10R0.18 CCCCC(=O)CC(=O)OC 1458a_100000210183_100000747449 [0,2,0,0,0,0|0,0,1]=3 4468 B10R0.18 CCCCC(=O)CC(=O)OC 1458a_100000211351_100000210211 [0,2,0,0,0,0|0,0,1]=3 4469 B10R0.18 CCCCC(C)NC(=O)CC 11a_100000126638_100000210414 [0,2,0,0,0,0|1,0,1]=4 4470 B10R0.18 CCCCC(C)NC(=O)CC 1626a_100000126638_100000210414 [0,2,0,0,0,0|1,0,1]=4 4471 B10R0.18 CCCCC(C)NC(=O)CC 240690a_100000126638_100000210414 [0,2,0,0,0,0|1,0,1]=4 4472 B10R0.18 CCCCC(C)NC(=O)CC 527a_100000126638_100000210414 [0,2,0,0,0,0|1,0,1]=4 4473 B10R0.18 CCCCC(C)NC(=O)CO 240690a_100000126638_100000210174 [0,2,0,0,0,0|1,0,1]=4 4474 B10R0.18 CCCCC(C)NC(=O)CO 527a_100000126638_100000210174 [0,2,0,0,0,0|1,0,1]=4 4475 B10R0.18 CCCCC(C)NC(=O)NC 2708a_100000126638_106832991635 [0,2,0,0,0,0|1,0,1]=4 4476 B10R0.18 CCCCC(C)NC(=O)NC 2708a_100102657272_100000126638 [0,2,0,0,0,0|1,0,1]=4 4477 B10R0.18 CCCCC(C)NC(=O)NC 273464a_100000126638_100102657272 [0,2,0,0,0,0|1,0,1]=4 4478 B10R0.18 CCCCC(C)NC(=O)NC 273464a_100102657272_100000126638 [0,2,0,0,0,0|1,0,1]=4 4479 B10R0.18 CCCCC(C)NC(=O)NC 512a_100000126638_100102657272 [0,2,0,0,0,0|1,0,1]=4 4480 B10R0.18 CCCCC(C)NC(=O)NC 512a_106832991638_100000126638 [0,2,0,0,0,0|1,0,1]=4 4481 B10R0.18 CCCCN(C)CC(=O)CC 269982a_100000207549_100000747405 [0,2,0,0,0,0|1,0,1]=4 4482 B10R0.18 CCCCN(C)CC(=O)NC 2230a_100000189611_100000210211 [0,2,0,0,0,0|1,0,1]=4 4483 B10R0.18 CCCCN(C)CC(=O)NC 2230a_100000207549_100000183359 [0,2,0,0,0,0|1,0,1]=4 4484 B10R0.18 CCCCN(C)CC(=O)NC 269982a_100000207549_100000183359 [0,2,0,0,0,0|1,0,1]=4 4485 B10R0.18 CCCCN(C)CC(=O)OC 2230a_100000198492_100000210211 [0,2,0,0,0,0|1,0,1]=4 4486 B10R0.18 CCCCN(C)CC(=O)OC 2230a_100000207549_100000747449 [0,2,0,0,0,0|1,0,1]=4 4487 B10R0.18 CCCCN(C)CC(=O)OC 269982a_100000207549_100000747449 [0,2,0,0,0,0|1,0,1]=4 4488 B10R0.18 CCCNC(=O)C=C(C)CC 11a_100020643023_100020758463 [0,2,0,0,0,0|2,0,0]=4 4489 B10R0.18 CCCNC(=O)C=C(C)CC 1626a_100020643023_100020758463 [0,2,0,0,0,0|2,0,0]=4 4490 B10R0.18 CCCNC(=O)C=C(C)CC 240690a_100020643023_100020758463 [0,2,0,0,0,0|2,0,0]=4 4491 B10R0.18 CCCNC(=O)CC(=O)CC 1458a_100000210414_100000183358 [0,2,0,0,0,0|1,0,1]=4 4492 B10R0.18 CCCNC(=O)CC(=O)CO 1458a_100000210174_100000183358 [0,2,0,0,0,0|1,0,1]=4 4493 B10R0.18 CCCNC(=O)CC(=O)OC 240690a_100020643023_100000211351 [0,2,0,0,0,0|1,0,1]=4 4494 B10R0.18 CCCOC(=O)CC(=O)CC 1458a_100000210414_200011215008 [0,2,0,0,0,0|1,0,1]=4 4495 B10R0.18 CCCOC(=O)CC(=O)CO 1458a_100000210174_200011215008 [0,2,0,0,0,0|1,0,1]=4 4496 B10R0.18 CCOCC(=O)CC(=O)CC 1458a_100000211967_100000747405 [0,2,0,0,0,0|1,0,1]=4 4497 B10R0.18 CCOCC(=O)CC(=O)NC 1458a_100000211967_100000183359 [0,2,0,0,0,0|1,0,1]=4 4498 B10R0.18 CCOCC(=O)CC(=O)OC 1458a_100000211967_100000747449 [0,2,0,0,0,0|1,0,1]=4 4499 B10R0.18 CCSCC(=O)CC(=O)CC 1458a_100000230394_100000747405 [0,2,0,0,0,0|1,0,1]=4 4500 B10R0.18 CCSCC(=O)CC(=O)NC 1458a_100000230394_100000183359 [0,2,0,0,0,0|1,0,1]=4 4501 B10R0.18 CCSCC(=O)CC(=O)OC 1458a_100000230394_100000747449 [0,2,0,0,0,0|1,0,1]=4 4502 B10R0.18 CCSCC(=O)CC(=O)OC 62a_100000210202_100000210525 [0,2,0,0,0,0|1,0,1]=4 4503 B10R0.18 CCSCC(=O)CC(=O)OC 62a_100000210525_100000210202 [0,2,0,0,0,0|1,0,1]=4 4504 B10R0.18 CCSCC(=O)NC(=O)OC 62a_100000210202_100000010850 [0,2,0,0,0,0|2,0,0]=4 4505 B10R0.18 CNC(=O)CC(=O)CCOC 1458a_100000749529_100000183359 [0,2,0,0,0,0|1,0,1]=4 4506 B10R0.18 CNC(=O)CC(=O)CCSC 1458a_100000174002_100000183359 [0,2,0,0,0,0|1,0,1]=4 4507 B10R0.18 COC(=O)CC(=O)CCCF 1458a_100000211351_100011934791 [0,2,0,0,0,0|1,0,1]=4 4508 B10R0.18 COC(=O)CC(=O)CCCO 1458a_100000211351_100011215043 [0,2,0,0,0,0|1,0,1]=4 4509 B10R0.18 COC(=O)CC(=O)CCSC 1458a_100000174002_100000747449 [0,2,0,0,0,0|1,0,1]=4 4510 B10R0.18 COC(=O)CC(=O)CCSC 1458a_100000211351_100000751147 [0,2,0,0,0,0|1,0,1]=4 4511 B10R0.18 COCCC(=O)CC(=O)OC 1458a_100000211351_100000233755 [0,2,0,0,0,0|1,0,1]=4 4512 B10R0.18 COCCC(=O)CC(=O)OC 1458a_100000749529_100000747449 [0,2,0,0,0,0|1,0,1]=4 4513 B10R0.28 CCCCC(=O)CS(=O)(=O)C 1458a_100000744497_100000210211 [0,2,0,0,0,0|1,0,1]=4 4514 B10R0.28 CCCCC(=O)NS(=O)(=O)C 2740a_100000171171_100000210183 [0,2,0,0,0,0|2,0,0]=4 4515 B10R0.32 C=C(C)CC(=O)C(C)CCC 1458a_100000210906_100000748629 [0,2,0,0,0,0|1,0,1]=4 4516 B10R0.32 C=C(C)CC(=O)[C@@H](O)CCC 1458a_100009822183_100000748629 [0,2,0,0,0,0|1,0,1]=4 4517 B10R0.32 CC(=CC(=O)C(C)CCO)C 1458a_100000211388_100009893172 [0,2,0,0,0,0|2,0,0]=4 4518 B10R0.32 CC(=CC(=O)C(C)CCO)Cl 1458a_200042562850_100009893172 [0,2,0,0,0,0|2,0,0]=4 4519 B10R0.32 CC(=CC(=O)C(C)CCO)I 1458a_100025716642_100009893172 [0,2,0,0,0,0|2,0,0]=4 4520 B10R0.32 CCCC(C)C(=O)C=C(C)C 1458a_100000211388_100000766640 [0,2,0,0,0,0|1,0,0]=3 4521 B10R0.32 CCCC(C)C(=O)C=C(C)Cl 1458a_200042562850_100000766640 [0,2,0,0,0,0|1,0,0]=3 4522 B10R0.32 CCCC(C)C(=O)C=C(C)I 1458a_100025716642_100000766640 [0,2,0,0,0,0|1,0,0]=3 4523 B10R0.32 CCCC(C)C(=O)C=C(Cl)Cl 1458a_100000137448_100000766640 [0,2,0,0,0,0|2,0,0]=4 4524 B10R0.32 CCCC(C)C(=O)CC(=O)N 1458a_100000210906_100000187820 [0,2,0,0,0,0|1,0,1]=4 4525 B10R0.32 CCCC(C)C(=O)CC(=O)N 1458a_100134613110_100000766640 [0,2,0,0,0,0|1,0,1]=4 4526 B10R0.32 CCCC(C)C(=O)CC(=O)[O-] 1458a_100000210906_100020667443 [0,2,0,0,0,0|1,0,1]=4 4527 B10R0.32 CCCN(C)C(=O)C=C(C)C 11a_100000747261_100000211388 [0,2,0,0,0,0|2,0,0]=4 4528 B10R0.32 CCCN(C)C(=O)C=C(C)C 1626a_100000747261_100000211388 [0,2,0,0,0,0|2,0,0]=4 4529 B10R0.32 CCCN(C)C(=O)C=C(C)C 240690a_100000747261_100000211388 [0,2,0,0,0,0|2,0,0]=4 4530 B10R0.32 CCCN(C)C(=O)C=C(C)Cl 11a_100000747261_200042562850 [0,2,0,0,0,0|2,0,0]=4 4531 B10R0.32 CCCN(C)C(=O)C=C(C)Cl 1626a_100000747261_200042562850 [0,2,0,0,0,0|2,0,0]=4 4532 B10R0.32 CCCN(C)C(=O)C=C(C)Cl 240690a_100000747261_200042562850 [0,2,0,0,0,0|2,0,0]=4 4533 B10R0.32 CCCN(C)C(=O)C=C(C)I 11a_100000747261_100025716642 [0,2,0,0,0,0|2,0,0]=4 4534 B10R0.32 CCCN(C)C(=O)C=C(C)I 1626a_100000747261_100025716642 [0,2,0,0,0,0|2,0,0]=4 4535 B10R0.32 CCC[C@H](O)C(=O)CC(=O)N 1458a_100009822183_100000187820 [0,2,0,0,0,0|1,0,1]=4 4536 B10R0.32 CCC[C@H](O)C(=O)CC(=O)[O-] 1458a_100009822183_100020667443 [0,2,0,0,0,0|1,0,1]=4 4537 B10R0.32 COCC(C)C(=O)C=C(C)C 1458a_100000211388_100000765312 [0,2,0,0,0,0|2,0,0]=4 4538 B10R0.32 COCC(C)C(=O)C=C(C)Cl 1458a_200042562850_100000765312 [0,2,0,0,0,0|2,0,0]=4 4539 B10R0.32 COCC(C)C(=O)C=C(C)I 1458a_100025716642_100000765312 [0,2,0,0,0,0|2,0,0]=4 4540 B10R0.81 C=C(C)C(=O)C(C)CCCC 1458a_100000185857_200011215066 [0,2,0,0,0,0|1,0,1]=4 4541 B10R0.81 C=C(C)C(=O)N(C)CCCC 11a_100000207549_100000185857 [0,2,0,0,0,0|2,0,0]=4 4542 B10R0.81 C=C(C)C(=O)N(C)CCCC 1626a_100000207549_100000185857 [0,2,0,0,0,0|2,0,0]=4 4543 B10R0.81 CCCCC(=O)C(=O)N(C)C 1458a_100011218876_100000210211 [0,2,0,0,0,0|2,0,0]=4 4544 B10R0.81 CCCCC(=O)C(C)C(=O)C 1458a_100000210183_100000179758 [0,2,0,0,0,0|0,0,1]=3 4545 B10R0.81 CCCCC(=O)C(C)C(=O)N 1458a_100000210183_100000702099 [0,2,0,0,0,0|1,0,1]=4 4546 B10R0.81 CCCCC(=O)C(F)C(=O)N 1458a_100000210183_100009813875 [0,2,0,0,0,0|1,0,1]=4 4547 B10R0.81 CCCCC(=O)C(F)C(=O)[O-] 1458a_100000210183_100020610796 [0,2,0,0,0,0|1,0,1]=4 4548 B10R0.81 CCCCN(C)C(=O)C(=O)N 240690a_100000207549_100011215815 [0,2,0,0,0,0|2,0,0]=4 4549 B10R0.81 CCCCN(C)C(C)C(=O)C 2230a_100000207549_100009814033 [0,2,0,0,0,0|1,0,1]=4 4550 B10R0.81 CCCCN(C)C(C)C(=O)C 269982a_100000207549_100009814033 [0,2,0,0,0,0|1,0,1]=4 4551 B10R0.81 CCCNC(=O)C(C)C(=O)C 1458a_100000070787_100000230305 [0,2,0,0,0,0|1,0,1]=4 4552 B10R0.81 CCCOC(=O)C(C)C(=O)C 1458a_100000070787_100000760410 [0,2,0,0,0,0|1,0,1]=4 4553 B10R0.81 CCOCC(=O)C(C)C(=O)C 1458a_100000211967_100000179758 [0,2,0,0,0,0|1,0,1]=4 4554 B10R0.81 CCSCC(=O)C(C)C(=O)C 1458a_100000230394_100000179758 [0,2,0,0,0,0|1,0,1]=4 4555 B10R0.81 COCCC(=O)C(C)C(=O)C 1458a_100000749529_100000179758 [0,2,0,0,0,0|1,0,1]=4 4556 B10R0.81 CSCCC(=O)C(C)C(=O)C 1458a_100000174002_100000179758 [0,2,0,0,0,0|1,0,1]=4 4557 B10R0.87 CCCCC(CC)CC(=O)C 1458a_100000070787_100000211942 [0,2,0,0,0,0|0,0,2]=4 4558 B10R0.87 CCCC[C@@H](CO)NC(=O)C 240690a_100011934283_100015343762 [0,2,0,0,0,0|1,0,1]=4 4559 B10R0.87 CCCC[C@@H](CO)NC(=O)C 527a_100011934283_100103153847 [0,2,0,0,0,0|1,0,1]=4 4560 B10R0.96 C=C(C)CC(=O)CCC(C)C 1458a_100000181311_100000748629 [0,2,0,0,0,0|1,0,1]=4 4561 B10R0.96 C=C(C)CCC(=O)C=C(C)C 1458a_100000211388_100000730704 [0,2,0,0,0,0|1,0,1]=4 4562 B10R0.96 C=C(C)CCC(=O)C=C(C)Cl 1458a_200042562850_100000730704 [0,2,0,0,0,0|1,0,1]=4 4563 B10R0.96 C=C(C)CCC(=O)C=C(C)I 1458a_100025716642_100000730704 [0,2,0,0,0,0|1,0,1]=4 4564 B10R0.96 CC(=CC(=O)CCC(C)C)C 1458a_100000211388_100000210312 [0,2,0,0,0,0|1,0,0]=3 4565 B10R0.96 CC(=CC(=O)CCC(C)C)Cl 1458a_200042562850_100000210312 [0,2,0,0,0,0|1,0,0]=3 4566 B10R0.96 CC(=CC(=O)CCC(C)C)I 1458a_100025716642_100000210312 [0,2,0,0,0,0|1,0,0]=3 4567 B10R0.96 CC(=CC(=O)CCC(C)O)C 1458a_100000211388_100012276601 [0,2,0,0,0,0|1,0,0]=3 4568 B10R0.96 CC(=CC(=O)CCC(C)O)Cl 1458a_200042562850_100012276601 [0,2,0,0,0,0|1,0,0]=3 4569 B10R0.96 CC(=CC(=O)CCC(C)O)I 1458a_100025716642_100012276601 [0,2,0,0,0,0|1,0,0]=3 4570 B10R0.96 CC(=CC(=O)NCC(C)C)C 11a_100000210953_100000211388 [0,2,0,0,0,0|2,0,0]=4 4571 B10R0.96 CC(=CC(=O)NCC(C)C)C 1626a_100000210953_100000211388 [0,2,0,0,0,0|2,0,0]=4 4572 B10R0.96 CC(=CC(=O)NCC(C)C)C 240690a_100000210953_100000211388 [0,2,0,0,0,0|2,0,0]=4 4573 B10R0.96 CC(=CC(=O)NCC(C)C)Cl 11a_100000210953_200042562850 [0,2,0,0,0,0|2,0,0]=4 4574 B10R0.96 CC(=CC(=O)NCC(C)C)Cl 1626a_100000210953_200042562850 [0,2,0,0,0,0|2,0,0]=4 4575 B10R0.96 CC(=CC(=O)NCC(C)C)Cl 240690a_100000210953_200042562850 [0,2,0,0,0,0|2,0,0]=4 4576 B10R0.96 CC(=CC(=O)NCC(C)C)I 11a_100000210953_100025716642 [0,2,0,0,0,0|2,0,0]=4 4577 B10R0.96 CC(=CC(=O)NCC(C)C)I 1626a_100000210953_100025716642 [0,2,0,0,0,0|2,0,0]=4 4578 B10R0.96 CC(=CC(=O)NCC(C)O)C 11a_100000210904_100000211388 [0,2,0,0,0,0|2,0,0]=4 4579 B10R0.96 CC(=CC(=O)NCC(C)O)C 240690a_100000210904_100000211388 [0,2,0,0,0,0|2,0,0]=4 4580 B10R0.96 CC(=CC(=O)NCC(C)O)Cl 11a_100000210904_200042562850 [0,2,0,0,0,0|2,0,0]=4 4581 B10R0.96 CC(=CC(=O)NCC(C)O)Cl 240690a_100000210904_200042562850 [0,2,0,0,0,0|2,0,0]=4 4582 B10R0.96 CC(=CC(=O)NCC(C)O)I 11a_100000210904_100025716642 [0,2,0,0,0,0|2,0,0]=4 4583 B10R0.96 CC(=O)CC(=O)NCC(C)C 1458a_100000070787_100000183291 [0,2,0,0,0,0|1,0,1]=4 4584 B10R0.96 CC(=O)COC(C)CC(C)C 34a_100000211253_100000731052 [0,2,0,0,0,0|1,0,1]=4 4585 B10R0.96 CC(=O)NC(=O)CSC(C)C 62a_100000210206_100000183797 [0,2,0,0,0,0|2,0,0]=4 4586 B10R0.96 CC(=O)NC(C)CCC(C)C 11a_100138410893_100015343762 [0,2,0,0,0,0|1,0,1]=4 4587 B10R0.96 CC(=O)NC(C)CCC(C)C 1626a_100138410893_100015343762 [0,2,0,0,0,0|1,0,1]=4 4588 B10R0.96 CC(=O)NC(C)CCC(C)C 240690a_100138410893_100015343762 [0,2,0,0,0,0|1,0,1]=4 4589 B10R0.96 CC(=O)NC(C)CCC(C)C 527a_100138410893_100103153847 [0,2,0,0,0,0|1,0,1]=4 4590 B10R0.96 CC(C)CCC(=O)C=C(Cl)Cl 1458a_100000137448_100000210312 [0,2,0,0,0,0|2,0,0]=4 4591 B10R0.96 CC(C)CCC(=O)CC(=O)N 1458a_100000181311_100000187820 [0,2,0,0,0,0|1,0,1]=4 4592 B10R0.96 CC(C)CCC(=O)CC(=O)N 1458a_100134613110_100000210312 [0,2,0,0,0,0|1,0,1]=4 4593 B10R0.96 CC(C)CCC(=O)CC(=O)[O-] 1458a_100000181311_100020667443 [0,2,0,0,0,0|1,0,1]=4 4594 B10R0.96 CC(O)CCC(=O)C=C(Cl)Cl 1458a_100000137448_100012276601 [0,2,0,0,0,0|2,0,0]=4 4595 B10R0.96 CC(O)CCC(=O)CC(=O)N 1458a_100134613110_100012276601 [0,2,0,0,0,0|1,0,1]=4 4596 B10R0.122 CCCCS(=O)(=O)NC(=O)C 2740a_100000178431_100015343762 [0,2,0,0,0,0|2,0,0]=4 4597 B10R0.122 CCCC[Si](C)(C)CC(=O)C 1458a_100000070787_200000073895 [0,2,0,0,0,0|0,1,1]=4 4598 B10R0.15 CC(=O)COCCC(C)(C)C 34a_100000211253_100000755188 [0,2,0,0,0,0|1,0,1]=4 4599 B10R0.15 CC(=O)COCCC(C)(C)O 34a_100000211253_100000702414 [0,2,0,0,0,0|1,0,1]=4 4600 B10R0.1 C#CCC(=O)C/C=C/CCC 1458a_200016266809_100000184674 [0,2,0,0,0,0|0,0,2]=4 4601 B10R0.1 C#CCC(=O)C=CCCCC 1458a_100016266645_100000184674 [0,2,0,0,0,0|0,0,0]=2 4602 B10R0.1 C#CCC(=O)CCCCCC 1458a_100011220946_100000210757 [0,2,0,0,0,0|0,0,2]=4 4603 B10R0.1 C#CCC(=O)CCCCCC 1458a_100102632555_100000184674 [0,2,0,0,0,0|0,0,2]=4 4604 B10R0.1 C#CCC(=O)COCCCC 1458a_100000757543_100000184674 [0,2,0,0,0,0|1,0,1]=4 4605 B10R0.1 C#CCC(=O)COCCCC 1458a_100011220946_100011995733 [0,2,0,0,0,0|1,0,1]=4 4606 B10R0.1 C#CCC(=O)CSCCCC 1458a_100000191162_100000184674 [0,2,0,0,0,0|1,0,1]=4 4607 B10R0.1 C#CCC(=O)NCCCCC 1626a_100000209983_100011220946 [0,2,0,0,0,0|1,0,1]=4 4608 B10R0.1 C#CCC(=O)NCCCCC 527a_100000209983_100011220946 [0,2,0,0,0,0|1,0,1]=4 4609 B10R0.1 C=CCC(=O)C/C=C/CCC 1458a_200016266809_100000210623 [0,2,0,0,0,0|0,0,2]=4 4610 B10R0.1 C=CCC(=O)C=CCCCC 1458a_100016266645_100000210623 [0,2,0,0,0,0|0,0,0]=2 4611 B10R0.1 C=CCC(=O)CCCCCC 1458a_100000210193_100000210757 [0,2,0,0,0,0|0,0,2]=4 4612 B10R0.1 C=CCC(=O)CCCCCC 1458a_100102632555_100000210623 [0,2,0,0,0,0|0,0,2]=4 4613 B10R0.1 C=CCC(=O)COCCCC 1458a_100000210193_100011995733 [0,2,0,0,0,0|1,0,1]=4 4614 B10R0.1 C=CCC(=O)COCCCC 1458a_100000757543_100000210623 [0,2,0,0,0,0|1,0,1]=4 4615 B10R0.1 C=CCC(=O)CSCCCC 1458a_100000191162_100000210623 [0,2,0,0,0,0|1,0,1]=4 4616 B10R0.1 C=CCC(=O)NCCCCC 11a_100000209983_100000210193 [0,2,0,0,0,0|1,0,1]=4 4617 B10R0.1 C=CCC(=O)NCCCCC 1626a_100000209983_100000210193 [0,2,0,0,0,0|1,0,1]=4 4618 B10R0.1 C=CCC(=O)NCCCCC 240690a_100000209983_100000210193 [0,2,0,0,0,0|1,0,1]=4 4619 B10R0.1 C=CCC(=O)NCCCCC 527a_100000209983_100000210193 [0,2,0,0,0,0|1,0,1]=4 4620 B10R0.1 C=CCC(=O)NNCCCC 22a_100025702795_100000210193 [0,2,0,0,0,0|2,0,0]=4 4621 B10R0.1 CC#CC(=O)CCCCCC 1458a_100000763181_100000210757 [0,2,0,0,0,0|0,0,2]=4 4622 B10R0.1 CC#CC(=O)COCCCC 1458a_100000763181_100011995733 [0,2,0,0,0,0|1,0,1]=4 4623 B10R0.1 CC#CC(=O)NNCCCC 22a_100025702795_100000763181 [0,2,0,0,0,0|2,0,0]=4 4624 B10R0.1 CC=CC(=O)CCCCCC 1458a_100000210699_100000210757 [0,2,0,0,0,0|0,0,2]=4 4625 B10R0.1 CC=CC(=O)COCCCC 1458a_100000210699_100011995733 [0,2,0,0,0,0|1,0,1]=4 4626 B10R0.1 CC=CC(=O)NCCCCC 11a_100000209983_100000210699 [0,2,0,0,0,0|1,0,1]=4 4627 B10R0.1 CC=CC(=O)NCCCCC 1626a_100000209983_100000210699 [0,2,0,0,0,0|1,0,1]=4 4628 B10R0.1 CC=CC(=O)NCCCCC 240690a_100000209983_100000210699 [0,2,0,0,0,0|1,0,1]=4 4629 B10R0.1 CC=CC(=O)NNCCCC 22a_100025702795_100000210699 [0,2,0,0,0,0|2,0,0]=4 4630 B10R0.1 CCC/C=C/CC(=O)CC#N 1458a_200016266809_100011214920 [0,2,0,0,0,0|0,0,2]=4 4631 B10R0.1 CCC/C=C/CC(=O)CCC 1458a_200016266809_100000210303 [0,2,0,0,0,0|0,0,2]=4 4632 B10R0.1 CCC/C=C/CC(=O)CCF 1458a_200016266809_100011217306 [0,2,0,0,0,0|0,0,2]=4 4633 B10R0.1 CCC/C=C/CC(=O)CCO 1458a_200016266809_100000211926 [0,2,0,0,0,0|0,0,2]=4 4634 B10R0.1 CCC/C=C/CC(=O)NCC 11a_100015525214_200016266809 [0,2,0,0,0,0|0,0,2]=4 4635 B10R0.1 CCC/C=C/CC(=O)NCC 240690a_100015525214_200016266809 [0,2,0,0,0,0|0,0,2]=4 4636 B10R0.1 CCC/C=C/CC(=O)NCC 527a_100015525214_200016266809 [0,2,0,0,0,0|0,0,2]=4 4637 B10R0.1 CCC/C=C/CC(=O)NNC 22a_100016993582_200016266809 [0,2,0,0,0,0|0,0,2]=4 4638 B10R0.1 CCCCC=CC(=O)CC#N 1458a_100016266645_100011214920 [0,2,0,0,0,0|0,0,0]=2 4639 B10R0.1 CCCCC=CC(=O)CCC 1458a_100016266645_100000210303 [0,2,0,0,0,0|0,0,0]=2 4640 B10R0.1 CCCCC=CC(=O)CCF 1458a_100016266645_100011217306 [0,2,0,0,0,0|0,0,0]=2 4641 B10R0.1 CCCCC=CC(=O)CCO 1458a_100016266645_100000211926 [0,2,0,0,0,0|0,0,0]=2 4642 B10R0.1 CCCCC=CC(=O)NCC 11a_100015525214_100016266645 [0,2,0,0,0,0|0,0,0]=2 4643 B10R0.1 CCCCC=CC(=O)NCC 240690a_100015525214_100016266645 [0,2,0,0,0,0|0,0,0]=2 4644 B10R0.1 CCCCC=CC(=O)NNC 22a_100016993582_100016266645 [0,2,0,0,0,0|0,0,0]=2 4645 B10R0.1 CCCCCCC(=O)CC#N 1458a_100051588842_100000210757 [0,2,0,0,0,0|0,0,2]=4 4646 B10R0.1 CCCCCCC(=O)CC#N 1458a_100102632555_100011214920 [0,2,0,0,0,0|0,0,2]=4 4647 B10R0.1 CCCCCCC(=O)CCC 1458a_100000211992_100000210757 [0,2,0,0,0,0|0,0,2]=4 4648 B10R0.1 CCCCCCC(=O)CCC 1458a_100102632555_100000210303 [0,2,0,0,0,0|0,0,2]=4 4649 B10R0.1 CCCCCCC(=O)CCF 1458a_100102632555_100011217306 [0,2,0,0,0,0|0,0,2]=4 4650 B10R0.1 CCCCCCC(=O)CCO 1458a_100011216618_100000210757 [0,2,0,0,0,0|0,0,2]=4 4651 B10R0.1 CCCCCCC(=O)CCO 1458a_100102632555_100000211926 [0,2,0,0,0,0|0,0,2]=4 4652 B10R0.1 CCCCCCC(=O)COC 1458a_100000210968_100000210757 [0,2,0,0,0,0|0,0,2]=4 4653 B10R0.1 CCCCCCC(=O)CSC 1458a_100000184570_100000210757 [0,2,0,0,0,0|0,0,2]=4 4654 B10R0.1 CCCCCCC(=O)NCC 11a_100015525214_100102632555 [0,2,0,0,0,0|0,0,2]=4 4655 B10R0.1 CCCCCCC(=O)NCC 240690a_100015525214_100102632555 [0,2,0,0,0,0|0,0,2]=4 4656 B10R0.1 CCCCCCC(=O)NCC 527a_100015525214_100102632555 [0,2,0,0,0,0|0,0,2]=4 4657 B10R0.1 CCCCCCC(=O)NNC 22a_100016993582_100102632555 [0,2,0,0,0,0|0,0,2]=4 4658 B10R0.1 CCCCCNC(=O)CC#N 1626a_100000209983_100051588842 [0,2,0,0,0,0|1,0,1]=4 4659 B10R0.1 CCCCCNC(=O)CC#N 240690a_100000209983_100051588842 [0,2,0,0,0,0|1,0,1]=4 4660 B10R0.1 CCCCCNC(=O)CCC 11a_100000209983_100000211992 [0,2,0,0,0,0|1,0,1]=4 4661 B10R0.1 CCCCCNC(=O)CCC 1626a_100000209983_100000211992 [0,2,0,0,0,0|1,0,1]=4 4662 B10R0.1 CCCCCNC(=O)CCC 240690a_100000209983_100000211992 [0,2,0,0,0,0|1,0,1]=4 4663 B10R0.1 CCCCCNC(=O)CCC 527a_100000209983_100000211992 [0,2,0,0,0,0|1,0,1]=4 4664 B10R0.1 CCCCCNC(=O)CCO 240690a_100000209983_100011216618 [0,2,0,0,0,0|1,0,1]=4 4665 B10R0.1 CCCCCNC(=O)CNC 2230a_106832991635_100000230301 [0,2,0,0,0,0|1,0,1]=4 4666 B10R0.1 CCCCCNC(=O)CNC 34a_100102657272_100000230301 [0,2,0,0,0,0|1,0,1]=4 4667 B10R0.1 CCCCCNC(=O)CNC 7a_106832991635_100000230301 [0,2,0,0,0,0|1,0,1]=4 4668 B10R0.1 CCCCCNC(=O)COC 11a_100000209983_100000210968 [0,2,0,0,0,0|1,0,1]=4 4669 B10R0.1 CCCCCNC(=O)COC 1626a_100000209983_100000210968 [0,2,0,0,0,0|1,0,1]=4 4670 B10R0.1 CCCCCNC(=O)COC 240690a_100000209983_100000210968 [0,2,0,0,0,0|1,0,1]=4 4671 B10R0.1 CCCCCNC(=O)COC 34a_100138415774_100000230301 [0,2,0,0,0,0|1,0,1]=4 4672 B10R0.1 CCCCCNC(=O)COC 527a_100000209983_100000210968 [0,2,0,0,0,0|1,0,1]=4 4673 B10R0.1 CCCCCNC(=O)CSC 11a_100000209983_100000184570 [0,2,0,0,0,0|1,0,1]=4 4674 B10R0.1 CCCCCNC(=O)CSC 1626a_100000209983_100000184570 [0,2,0,0,0,0|1,0,1]=4 4675 B10R0.1 CCCCCNC(=O)CSC 240690a_100000209983_100000184570 [0,2,0,0,0,0|1,0,1]=4 4676 B10R0.1 CCCCCNC(=O)CSC 527a_100000209983_100000184570 [0,2,0,0,0,0|1,0,1]=4 4677 B10R0.1 CCCCCNC(=O)CSC 62a_100000230301_200000210301 [0,2,0,0,0,0|1,0,1]=4 4678 B10R0.1 CCCCCNC(=O)CSC 62a_200000210301_100000230301 [0,2,0,0,0,0|1,0,1]=4 4679 B10R0.1 CCCCCNC(=O)CS[13CH3] 62a_100000230301_200025704644 [0,2,0,0,0,0|1,0,1]=4 4680 B10R0.1 CCCCCNC(=O)CS[13CH3] 62a_200025704644_100000230301 [0,2,0,0,0,0|1,0,1]=4 4681 B10R0.1 CCCCCNC(=O)NCC 2708a_100000209983_100015525214 [0,2,0,0,0,0|1,0,1]=4 4682 B10R0.1 CCCCCNC(=O)NCC 2708a_100015525214_100000209983 [0,2,0,0,0,0|1,0,1]=4 4683 B10R0.1 CCCCCNC(=O)NCC 273464a_100000209983_100015525214 [0,2,0,0,0,0|1,0,1]=4 4684 B10R0.1 CCCCCNC(=O)NCC 273464a_100015525214_100000209983 [0,2,0,0,0,0|1,0,1]=4 4685 B10R0.1 CCCCCNC(=O)NCC 512a_100000209983_100015525214 [0,2,0,0,0,0|1,0,1]=4 4686 B10R0.1 CCCCCNC(=O)NCC 512a_100015525214_100000209983 [0,2,0,0,0,0|1,0,1]=4 4687 B10R0.1 CCCCCNC(=O)NNC 273464a_100000209983_100016993582 [0,2,0,0,0,0|1,0,1]=4 4688 B10R0.1 CCCCCNC(=O)NNC 512a_100000209983_100016993582 [0,2,0,0,0,0|1,0,1]=4 4689 B10R0.1 CCCCCNC(=O)NNC 512a_100016993582_100000209983 [0,2,0,0,0,0|1,0,1]=4 4690 B10R0.1 CCCCNCC(=O)CCC 2230a_100000102301_100000747444 [0,2,0,0,0,0|1,0,1]=4 4691 B10R0.1 CCCCNCC(=O)CCC 7a_106832991798_100000747444 [0,2,0,0,0,0|1,0,1]=4 4692 B10R0.1 CCCCNCC(=O)NCC 2230a_100000102301_100000183381 [0,2,0,0,0,0|1,0,1]=4 4693 B10R0.1 CCCCNCC(=O)NCC 2230a_100016988866_100000210211 [0,2,0,0,0,0|1,0,1]=4 4694 B10R0.1 CCCCNCC(=O)NCC 7a_106832991798_100000183381 [0,2,0,0,0,0|1,0,1]=4 4695 B10R0.1 CCCCNCC(=O)NCO 2230a_100000102301_100000185155 [0,2,0,0,0,0|1,0,1]=4 4696 B10R0.1 CCCCNCC(=O)NCO 7a_106832991798_100000185155 [0,2,0,0,0,0|1,0,1]=4 4697 B10R0.1 CCCCNCC(=O)OCC 2230a_100000102301_100000188475 [0,2,0,0,0,0|1,0,1]=4 4698 B10R0.1 CCCCNCC(=O)OCC 7a_106832991798_100000188475 [0,2,0,0,0,0|1,0,1]=4 4699 B10R0.1 CCCCNNC(=O)CC#N 22a_100025702795_100051588842 [0,2,0,0,0,0|2,0,0]=4 4700 B10R0.1 CCCCNNC(=O)CCC 22a_100025702795_100000211992 [0,2,0,0,0,0|2,0,0]=4 4701 B10R0.1 CCCCNNC(=O)CCO 22a_100025702795_100011216618 [0,2,0,0,0,0|2,0,0]=4 4702 B10R0.1 CCCCNNC(=O)COC 22a_100025702795_100000210968 [0,2,0,0,0,0|2,0,0]=4 4703 B10R0.1 CCCCNNC(=O)CSC 22a_100025702795_100000184570 [0,2,0,0,0,0|2,0,0]=4 4704 B10R0.1 CCCCNNC(=O)NCC 273464a_100015525214_100025702795 [0,2,0,0,0,0|2,0,0]=4 4705 B10R0.1 CCCCNNC(=O)NCC 512a_100015525214_100025702795 [0,2,0,0,0,0|2,0,0]=4 4706 B10R0.1 CCCCNNC(=O)NCC 512a_100025702795_100015525214 [0,2,0,0,0,0|2,0,0]=4 4707 B10R0.1 CCCCNNC(=O)NNC 512a_100016993582_100025702795 [0,2,0,0,0,0|2,0,0]=4 4708 B10R0.1 CCCCNNC(=O)NNC 512a_100025702795_100016993582 [0,2,0,0,0,0|2,0,0]=4 4709 B10R0.1 CCCCOCC(=O)CC#N 1458a_100000757543_100011214920 [0,2,0,0,0,0|1,0,1]=4 4710 B10R0.1 CCCCOCC(=O)CC#N 1458a_100051588842_100011995733 [0,2,0,0,0,0|1,0,1]=4 4711 B10R0.1 CCCCOCC(=O)CCC 1458a_100000211992_100011995733 [0,2,0,0,0,0|1,0,1]=4 4712 B10R0.1 CCCCOCC(=O)CCC 1458a_100000757543_100000210303 [0,2,0,0,0,0|1,0,1]=4 4713 B10R0.1 CCCCOCC(=O)CCC 7a_100000210227_100000747444 [0,2,0,0,0,0|1,0,1]=4 4714 B10R0.1 CCCCOCC(=O)CCF 1458a_100000757543_100011217306 [0,2,0,0,0,0|1,0,1]=4 4715 B10R0.1 CCCCOCC(=O)CCO 1458a_100000757543_100000211926 [0,2,0,0,0,0|1,0,1]=4 4716 B10R0.1 CCCCOCC(=O)CCO 1458a_100011216618_100011995733 [0,2,0,0,0,0|1,0,1]=4 4717 B10R0.1 CCCCOCC(=O)COC 1458a_100000210968_100011995733 [0,2,0,0,0,0|1,0,1]=4 4718 B10R0.1 CCCCOCC(=O)CSC 1458a_100000184570_100011995733 [0,2,0,0,0,0|1,0,1]=4 4719 B10R0.1 CCCCOCC(=O)NCC 11a_100015525214_100000757543 [0,2,0,0,0,0|1,0,1]=4 4720 B10R0.1 CCCCOCC(=O)NCC 240690a_100015525214_100000757543 [0,2,0,0,0,0|1,0,1]=4 4721 B10R0.1 CCCCOCC(=O)NCC 34a_100000210227_100000183381 [0,2,0,0,0,0|1,0,1]=4 4722 B10R0.1 CCCCOCC(=O)NCC 527a_100015525214_100000757543 [0,2,0,0,0,0|1,0,1]=4 4723 B10R0.1 CCCCOCC(=O)NCC 7a_100000210227_100000183381 [0,2,0,0,0,0|1,0,1]=4 4724 B10R0.1 CCCCOCC(=O)NCO 34a_100000210227_100000185155 [0,2,0,0,0,0|1,0,1]=4 4725 B10R0.1 CCCCOCC(=O)NCO 7a_100000210227_100000185155 [0,2,0,0,0,0|1,0,1]=4 4726 B10R0.1 CCCCOCC(=O)NNC 22a_100016993582_100000757543 [0,2,0,0,0,0|1,0,1]=4 4727 B10R0.1 CCCCOCC(=O)OCC 34a_100000210227_100000188475 [0,2,0,0,0,0|1,0,1]=4 4728 B10R0.1 CCCCOCC(=O)OCC 7a_100000210227_100000188475 [0,2,0,0,0,0|1,0,1]=4 4729 B10R0.1 CCCCSCC(=O)CC#N 1458a_100000191162_100011214920 [0,2,0,0,0,0|1,0,1]=4 4730 B10R0.1 CCCCSCC(=O)CCC 1458a_100000191162_100000210303 [0,2,0,0,0,0|1,0,1]=4 4731 B10R0.1 CCCCSCC(=O)CCC 62a_100000210211_100000747444 [0,2,0,0,0,0|1,0,1]=4 4732 B10R0.1 CCCCSCC(=O)CCC 62a_100000747444_100000210210 [0,2,0,0,0,0|1,0,1]=4 4733 B10R0.1 CCCCSCC(=O)CCF 1458a_100000191162_100011217306 [0,2,0,0,0,0|1,0,1]=4 4734 B10R0.1 CCCCSCC(=O)CCO 1458a_100000191162_100000211926 [0,2,0,0,0,0|1,0,1]=4 4735 B10R0.1 CCCCSCC(=O)NCC 11a_100015525214_100000191162 [0,2,0,0,0,0|1,0,1]=4 4736 B10R0.1 CCCCSCC(=O)NCC 240690a_100015525214_100000191162 [0,2,0,0,0,0|1,0,1]=4 4737 B10R0.1 CCCCSCC(=O)NCC 527a_100015525214_100000191162 [0,2,0,0,0,0|1,0,1]=4 4738 B10R0.1 CCCCSCC(=O)NCC 62a_100000183381_100000210210 [0,2,0,0,0,0|1,0,1]=4 4739 B10R0.1 CCCCSCC(=O)NCC 62a_100000210211_100000183381 [0,2,0,0,0,0|1,0,1]=4 4740 B10R0.1 CCCCSCC(=O)NCO 62a_100000185155_100000210210 [0,2,0,0,0,0|1,0,1]=4 4741 B10R0.1 CCCCSCC(=O)NCO 62a_100000210211_100000185155 [0,2,0,0,0,0|1,0,1]=4 4742 B10R0.1 CCCCSCC(=O)NNC 22a_100016993582_100000191162 [0,2,0,0,0,0|1,0,1]=4 4743 B10R0.1 CCCCSCC(=O)OCC 62a_100000188475_100000210210 [0,2,0,0,0,0|1,0,1]=4 4744 B10R0.1 CCCCSCC(=O)OCC 62a_100000210211_100000188475 [0,2,0,0,0,0|1,0,1]=4 4745 B10R0.1 CCCNN=CC(=O)OCC 4a_100000740057_100000742314 [0,2,0,0,0,0|2,0,0]=4 4746 B10R0.1 CCNC/C=C/C(=O)OCC 2230a_100015525214_100016267167 [0,2,0,0,0,0|1,0,0]=3 4747 B10R0.1 CCOC(=O)/C=C/CSCC 62a_100000210202_100016267167 [0,2,0,0,0,0|1,0,0]=3 4748 B10R0.1 CCOC(=O)/C=C/CSCC 62a_100016267167_100000210202 [0,2,0,0,0,0|1,0,0]=3 4749 B10R0.1 CCOC(=O)/C=C/CSCF 62a_100015361967_100016267167 [0,2,0,0,0,0|2,0,0]=4 4750 B10R0.1 CCOC(=O)/C=C/CSCF 62a_100016267167_100015361967 [0,2,0,0,0,0|2,0,0]=4 4751 B10R0.1 CCOC/C=C/C(=O)OCC 34a_100121572206_100016267167 [0,2,0,0,0,0|1,0,0]=3 4752 B10R0.83 C/C=C(\C)/C(=O)CCCCC 1458a_100020587367_100000210326 [0,2,0,0,0,0|1,0,1]=4 4753 B10R0.83 C/C=C(\C)/C(=O)NCCCC 11a_100000102301_100020587367 [0,2,0,0,0,0|2,0,0]=4 4754 B10R0.83 C/C=C(\C)/C(=O)NCCCC 1626a_100000102301_100020587367 [0,2,0,0,0,0|2,0,0]=4 4755 B10R0.83 C=C(COCCC)C(=O)OC 34a_100000210258_100009813391 [0,2,0,0,0,0|1,0,1]=4 4756 B10R0.83 C=C(CSCCC)C(=O)OC 62a_100000210303_100009813391 [0,2,0,0,0,0|1,0,1]=4 4757 B10R0.83 C=C(CSCCC)C(=O)OC 62a_100009813391_100000210303 [0,2,0,0,0,0|1,0,1]=4 4758 B10R0.83 CCCCCC(=O)C(=O)NC 1458a_100011218921_100000210326 [0,2,0,0,0,0|0,0,1]=3 4759 B10R0.83 CCCCCC(C)C(=O)CC 1458a_100000210414_200011218191 [0,2,0,0,0,0|0,0,2]=4 4760 B10R0.83 CCCCCC(C)C(=O)CC 1458a_100011215998_100000210202 [0,2,0,0,0,0|0,0,2]=4 4761 B10R0.83 CCCCCC(C)C(=O)CF 1458a_100011215998_100015361967 [0,2,0,0,0,0|0,0,2]=4 4762 B10R0.83 CCCCCC(C)C(=O)CO 1458a_100000210174_200011218191 [0,2,0,0,0,0|0,0,2]=4 4763 B10R0.83 CCCCCC(C)C(=O)NC 11a_106832991635_100011215998 [0,2,0,0,0,0|0,0,2]=4 4764 B10R0.83 CCCCCC(C)C(=O)NC 1626a_100102657272_100011215998 [0,2,0,0,0,0|0,0,2]=4 4765 B10R0.83 CCCCCC(C)C(=O)NC 240690a_100102657272_100011215998 [0,2,0,0,0,0|0,0,2]=4 4766 B10R0.83 CCCCCC(C)C(=O)NC 527a_100102657272_100011215998 [0,2,0,0,0,0|0,0,2]=4 4767 B10R0.83 CCCCCN(C)C(=O)CC 11a_100000223495_100000210414 [0,2,0,0,0,0|1,0,1]=4 4768 B10R0.83 CCCCCN(C)C(=O)CC 1626a_100000223495_100000210414 [0,2,0,0,0,0|1,0,1]=4 4769 B10R0.83 CCCCCN(C)C(=O)CC 240690a_100000223495_100000210414 [0,2,0,0,0,0|1,0,1]=4 4770 B10R0.83 CCCCCN(C)C(=O)CC 527a_100000223495_100000210414 [0,2,0,0,0,0|1,0,1]=4 4771 B10R0.83 CCCCCN(C)C(=O)CO 240690a_100000223495_100000210174 [0,2,0,0,0,0|1,0,1]=4 4772 B10R0.83 CCCCCN(C)C(=O)CO 527a_100000223495_100000210174 [0,2,0,0,0,0|1,0,1]=4 4773 B10R0.83 CCCCCN(C)C(=O)NC 2708a_100102657272_100000223495 [0,2,0,0,0,0|1,0,1]=4 4774 B10R0.83 CCCCCN(C)C(=O)NC 273464a_100102657272_100000223495 [0,2,0,0,0,0|1,0,1]=4 4775 B10R0.83 CCCCNC(=O)C(=O)NC 1626a_100000102301_100011218921 [0,2,0,0,0,0|1,0,0]=3 4776 B10R0.83 CCCCNC(=O)C(=O)NC 240690a_100000102301_100011218921 [0,2,0,0,0,0|1,0,0]=3 4777 B10R0.83 CCCCNC(=O)C(=O)NC 527a_100000102301_100011218921 [0,2,0,0,0,0|1,0,0]=3 4778 B10R0.83 CCCCNC(=O)C(=O)OC 11a_100000102301_100000024059 [0,2,0,0,0,0|1,0,0]=3 4779 B10R0.83 CCCCNC(=O)C(=O)OC 1626a_100000102301_100000024059 [0,2,0,0,0,0|1,0,0]=3 4780 B10R0.83 CCCCNC(=O)C(=O)OC 240690a_100000102301_100000024059 [0,2,0,0,0,0|1,0,0]=3 4781 B10R0.83 CCCCNC(=O)C(=O)OC 527a_100000102301_100000024059 [0,2,0,0,0,0|1,0,0]=3 4782 B10R0.83 CCCCNC(C)C(=O)CC 2230a_100000102301_100000742827 [0,2,0,0,0,0|1,0,1]=4 4783 B10R0.83 CCCCNC(C)C(=O)CC 7a_106832991798_100000742827 [0,2,0,0,0,0|1,0,1]=4 4784 B10R0.83 CCCCNC(C)C(=O)NC 2230a_100000102301_100000731044 [0,2,0,0,0,0|1,0,1]=4 4785 B10R0.83 CCCCNC(C)C(=O)NC 7a_106832991798_100000209862 [0,2,0,0,0,0|1,0,1]=4 4786 B10R0.83 CCCCNC(C)C(=O)OC 2230a_100000102301_100000211248 [0,2,0,0,0,0|1,0,1]=4 4787 B10R0.83 CCCCNC(C)C(=O)OC 7a_106832991798_100000211248 [0,2,0,0,0,0|1,0,1]=4 4788 B10R0.83 CCCCNC(F)C(=O)NC 2230a_100000102301_100009813575 [0,2,0,0,0,0|1,0,1]=4 4789 B10R0.83 CCCCNC(F)C(=O)NC 7a_106832991798_100009813575 [0,2,0,0,0,0|1,0,1]=4 4790 B10R0.83 CCCCN[C@H](C)C(=O)NC 2230a_100000684985_100000210211 [0,2,0,0,0,0|1,0,1]=4 4791 B10R0.83 CCCCN[C@H](C)C(=O)NC 34a_100000684985_100000210210 [0,2,0,0,0,0|1,0,1]=4 4792 B10R0.83 CCCCOC(C)C(=O)CC 7a_100000210227_100000742827 [0,2,0,0,0,0|1,0,1]=4 4793 B10R0.83 CCCCOC(C)C(=O)NC 34a_100000210227_100000731044 [0,2,0,0,0,0|1,0,1]=4 4794 B10R0.83 CCCCOC(C)C(=O)NC 7a_100000210227_100000209862 [0,2,0,0,0,0|1,0,1]=4 4795 B10R0.83 CCCCOC(C)C(=O)OC 34a_100000210227_100000211248 [0,2,0,0,0,0|1,0,1]=4 4796 B10R0.83 CCCCOC(C)C(=O)OC 34a_100011215400_100000210210 [0,2,0,0,0,0|1,0,1]=4 4797 B10R0.83 CCCCOC(C)C(=O)OC 7a_100000210227_100000211248 [0,2,0,0,0,0|1,0,1]=4 4798 B10R0.83 CCCCOC(F)C(=O)NC 34a_100000210227_100009813575 [0,2,0,0,0,0|1,0,1]=4 4799 B10R0.83 CCCCOC(F)C(=O)NC 7a_100000210227_100009813575 [0,2,0,0,0,0|1,0,1]=4 4800 B10R0.83 CCCCSC(C)C(=O)CC 1458a_100000191163_100000210202 [0,2,0,0,0,0|1,0,1]=4 4801 B10R0.83 CCCCSC(C)C(=O)CC 62a_100000210211_100000742827 [0,2,0,0,0,0|1,0,1]=4 4802 B10R0.83 CCCCSC(C)C(=O)CC 62a_100000742827_100000210210 [0,2,0,0,0,0|1,0,1]=4 4803 B10R0.83 CCCCSC(C)C(=O)CF 1458a_100000191163_100015361967 [0,2,0,0,0,0|1,0,1]=4 4804 B10R0.83 CCCCSC(C)C(=O)NC 11a_106832991635_100000191163 [0,2,0,0,0,0|1,0,1]=4 4805 B10R0.83 CCCCSC(C)C(=O)NC 1626a_100102657272_100000191163 [0,2,0,0,0,0|1,0,1]=4 4806 B10R0.83 CCCCSC(C)C(=O)NC 240690a_100102657272_100000191163 [0,2,0,0,0,0|1,0,1]=4 4807 B10R0.83 CCCCSC(C)C(=O)NC 527a_100102657272_100000191163 [0,2,0,0,0,0|1,0,1]=4 4808 B10R0.83 CCCCSC(C)C(=O)NC 62a_100000209862_100000210210 [0,2,0,0,0,0|1,0,1]=4 4809 B10R0.83 CCCCSC(C)C(=O)NC 62a_100000210211_100000731044 [0,2,0,0,0,0|1,0,1]=4 4810 B10R0.83 CCCCSC(C)C(=O)OC 62a_100000210211_100000211248 [0,2,0,0,0,0|1,0,1]=4 4811 B10R0.83 CCCCSC(C)C(=O)OC 62a_100000211248_100000210210 [0,2,0,0,0,0|1,0,1]=4 4812 B10R0.83 CCCCSC(F)C(=O)NC 62a_100000210211_100009813575 [0,2,0,0,0,0|1,0,1]=4 4813 B10R0.83 CCCCSC(F)C(=O)NC 62a_100009813575_100000210210 [0,2,0,0,0,0|1,0,1]=4 4814 B10R0.83 CCCNN=C(C)C(=O)OC 4a_100000740057_100000211753 [0,2,0,0,0,0|2,0,0]=4 4815 B10R0.83 CCCNNC(=O)C(=O)NC 22a_100000740057_100011218921 [0,2,0,0,0,0|2,0,0]=4 4816 B10R0.83 CCCOCC(=O)C(=O)OC 34a_100000210258_100011610305 [0,2,0,0,0,0|1,0,1]=4 4817 B10R0.83 CCCSCC(=O)C(=O)OC 62a_100000210303_100011610305 [0,2,0,0,0,0|1,0,1]=4 4818 B10R0.83 CCCSCC(=O)C(=O)OC 62a_100011610305_100000210303 [0,2,0,0,0,0|1,0,1]=4 4819 B10R0.83 CCOCCC(=O)C(=O)NC 1458a_100011218921_100011215890 [0,2,0,0,0,0|1,0,1]=4 4820 B10R0.83 CCSCCC(=O)C(=O)NC 1458a_100011218921_100000757381 [0,2,0,0,0,0|1,0,1]=4 4821 B10R0.83 CNC(=O)C(=O)CCCCF 1458a_100011218921_100000729493 [0,2,0,0,0,0|1,0,1]=4 4822 B10R0.83 CNC(=O)C(=O)CCCCO 1458a_100011218921_100000210776 [0,2,0,0,0,0|1,0,1]=4 4823 B10R0.83 CNC(=O)C(=O)CCCOC 1458a_100011218921_100000740836 [0,2,0,0,0,0|1,0,1]=4 4824 B10R0.83 CNC(=O)C(=O)NCCCF 1626a_100015189416_100011218921 [0,2,0,0,0,0|2,0,0]=4 4825 B10R0.83 CNC(=O)C(=O)NCCCF 240690a_100015189416_100011218921 [0,2,0,0,0,0|2,0,0]=4 4826 B10R0.83 CNC(=O)C(=O)NCCCF 527a_100015189416_100011218921 [0,2,0,0,0,0|2,0,0]=4 4827 B10R0.83 CNC(=O)C(=O)NCCCO 240690a_100000182051_100011218921 [0,2,0,0,0,0|2,0,0]=4 4828 B10R0.83 CNC(=O)C(=O)NCCCO 527a_100000182051_100011218921 [0,2,0,0,0,0|2,0,0]=4 4829 B10R0.83 CNC(=O)C(=O)NCCOC 1626a_100000209980_100011218921 [0,2,0,0,0,0|2,0,0]=4 4830 B10R0.83 CNC(=O)C(=O)NCCOC 240690a_100000209980_100011218921 [0,2,0,0,0,0|2,0,0]=4 4831 B10R0.83 CNC(=O)C(=O)NCCOC 527a_100000209980_100011218921 [0,2,0,0,0,0|2,0,0]=4 4832 B10R0.83 CNC(=O)C(=O)NCCSC 1626a_100020590264_100011218921 [0,2,0,0,0,0|2,0,0]=4 4833 B10R0.83 CNC(=O)C(=O)NCCSC 240690a_100020590264_100011218921 [0,2,0,0,0,0|2,0,0]=4 4834 B10R0.83 CNC(=O)C(=O)NCCSC 527a_100020590264_100011218921 [0,2,0,0,0,0|2,0,0]=4 4835 B10R0.83 COC(=O)C(=O)NCCCF 11a_100015189416_100000024059 [0,2,0,0,0,0|2,0,0]=4 4836 B10R0.83 COC(=O)C(=O)NCCCF 1626a_100015189416_100000024059 [0,2,0,0,0,0|2,0,0]=4 4837 B10R0.83 COC(=O)C(=O)NCCCF 240690a_100015189416_100000024059 [0,2,0,0,0,0|2,0,0]=4 4838 B10R0.83 COC(=O)C(=O)NCCCF 527a_100015189416_100000024059 [0,2,0,0,0,0|2,0,0]=4 4839 B10R0.83 COC(=O)C(=O)NCCCO 240690a_100000182051_100000024059 [0,2,0,0,0,0|2,0,0]=4 4840 B10R0.83 COC(=O)C(=O)NCCCO 527a_100000182051_100000024059 [0,2,0,0,0,0|2,0,0]=4 4841 B10R0.83 COC(=O)C(=O)NCCSC 11a_100020590264_100000024059 [0,2,0,0,0,0|2,0,0]=4 4842 B10R0.83 COC(=O)C(=O)NCCSC 1626a_100020590264_100000024059 [0,2,0,0,0,0|2,0,0]=4 4843 B10R0.83 COC(=O)C(=O)NCCSC 240690a_100020590264_100000024059 [0,2,0,0,0,0|2,0,0]=4 4844 B10R0.83 COC(=O)C(=O)NCCSC 527a_100020590264_100000024059 [0,2,0,0,0,0|2,0,0]=4 4845 B10R0.83 COCCNC(=O)C(=O)OC 1626a_100000209980_100000024059 [0,2,0,0,0,0|2,0,0]=4 4846 B10R0.83 COCCNC(=O)C(=O)OC 240690a_100000209980_100000024059 [0,2,0,0,0,0|2,0,0]=4 4847 B10R0.83 COCCNC(=O)C(=O)OC 527a_100000209980_100000024059 [0,2,0,0,0,0|2,0,0]=4 4848 B10R0.108 CC=C(C)C=CC(=O)CCC 1458a_100000692105_100000210303 [0,2,0,0,0,0|1,0,1]=4 4849 B10R0.108 CCCC(=O)C=CC(=O)NC 1458a_100016259477_100000210303 [0,2,0,0,0,0|0,0,1]=3 4850 B10R0.108 CCCC(C)NCC(=O)NC 2230a_100000693194_100000766640 [0,2,0,0,0,0|1,0,1]=4 4851 B10R0.108 CCCC(C)NCC(=O)NC 2230a_100000741246_100000183359 [0,2,0,0,0,0|1,0,1]=4 4852 B10R0.108 CCCC(C)NCC(=O)NC 270004a_100000693194_100000211909 [0,2,0,0,0,0|1,0,1]=4 4853 B10R0.108 CCCC(C)NCC(=O)OC 2230a_100000741246_100000747449 [0,2,0,0,0,0|1,0,1]=4 4854 B10R0.108 CCCC(C)OCC(=O)CC 34a_100000725409_100000766640 [0,2,0,0,0,0|1,0,1]=4 4855 B10R0.108 CCCC(C)OCC(=O)CC 7a_100000764384_100000747405 [0,2,0,0,0,0|1,0,1]=4 4856 B10R0.108 CCCC(C)OCC(=O)NC 34a_100000750040_100000766640 [0,2,0,0,0,0|1,0,1]=4 4857 B10R0.108 CCCC(C)OCC(=O)NC 34a_100000764384_100000183359 [0,2,0,0,0,0|1,0,1]=4 4858 B10R0.108 CCCC(C)OCC(=O)NC 7a_100000764384_100000183359 [0,2,0,0,0,0|1,0,1]=4 4859 B10R0.108 CCCC(C)OCC(=O)OC 34a_100000764384_100000747449 [0,2,0,0,0,0|1,0,1]=4 4860 B10R0.108 CCCC(C)OCC(=O)OC 7a_100000764384_100000747449 [0,2,0,0,0,0|1,0,1]=4 4861 B10R0.108 CCCC(C)SCC(=O)CC 62a_100000747405_100000766640 [0,2,0,0,0,0|1,0,1]=4 4862 B10R0.108 CCCC(C)SCC(=O)CC 62a_100000766640_100000747405 [0,2,0,0,0,0|1,0,1]=4 4863 B10R0.108 CCCC(C)SCC(=O)NC 62a_100000183359_100000766640 [0,2,0,0,0,0|1,0,1]=4 4864 B10R0.108 CCCC(C)SCC(=O)NC 62a_100000766640_100000183359 [0,2,0,0,0,0|1,0,1]=4 4865 B10R0.108 CCCC(C)SCC(=O)OC 62a_100000747449_100000766640 [0,2,0,0,0,0|1,0,1]=4 4866 B10R0.108 CCCC(C)SCC(=O)OC 62a_100000766640_100000747449 [0,2,0,0,0,0|1,0,1]=4 4867 B10R0.108 CCOC(=O)C=CC(=O)CC 1458a_100000210415_100000210202 [0,2,0,0,0,0|1,0,1]=4 4868 B10R0.108 CCOC(=O)C=CC(=O)CF 1458a_100000210415_100015361967 [0,2,0,0,0,0|1,0,1]=4 4869 B10R0.108 CCOC(=O)C=CC(=O)NC 1626a_100102657272_100000210415 [0,2,0,0,0,0|1,0,1]=4 4870 B10R0.108 CCOC(=O)C=CC(=O)NC 240690a_100102657272_100000210415 [0,2,0,0,0,0|1,0,1]=4 4871 B10R0.108 CNC(=O)C=CC(=O)CCF 1458a_100016259477_100011217306 [0,2,0,0,0,0|1,0,1]=4 4872 B10R0.108 CNC(=O)C=CC(=O)CCO 1458a_100016259477_100000211926 [0,2,0,0,0,0|1,0,1]=4 4873 B10R0.26 C=C(C)C(=O)CC(C)CCC 1458a_100000185857_100011216630 [0,2,0,0,0,0|1,0,1]=4 4874 B10R0.26 C=C(C)C(=O)NC(C)CCC 11a_100000741246_100000185857 [0,2,0,0,0,0|2,0,0]=4 4875 B10R0.26 C=C(C)C(=O)NC(C)CCC 1626a_100000741246_100000185857 [0,2,0,0,0,0|2,0,0]=4 4876 B10R0.26 CCCC(=O)CC(=O)C(=O)C 1458a_100000211992_100011261029 [0,2,0,0,0,0|0,0,2]=4 4877 B10R0.26 CCCC(C)NC(=O)C(=O)N 240690a_100000741246_100011215815 [0,2,0,0,0,0|2,0,0]=4 4878 B10R0.26 CCCC(C)NC(C)C(=O)C 2230a_100000741246_100009814033 [0,2,0,0,0,0|1,0,1]=4 4879 B10R0.26 CCCC(C)OC(C)C(=O)C 34a_100000212229_100000766640 [0,2,0,0,0,0|1,0,1]=4 4880 B10R0.26 CCCC(C)OC(C)C(=O)C 7a_100000764384_100000179758 [0,2,0,0,0,0|1,0,1]=4 4881 B10R0.26 CCCC(C)SC(C)C(=O)C 62a_100000766640_100009814033 [0,2,0,0,0,0|1,0,1]=4 4882 B10R0.26 CCCC(C)SC(C)C(=O)C 62a_100009814033_100000766640 [0,2,0,0,0,0|1,0,1]=4 4883 B10R0.26 CCCN(C)CC(=O)C(=O)C 269982a_100000747261_100011261029 [0,2,0,0,0,0|1,0,1]=4 4884 B10R0.42 CCCCNC(C)(C)C(=O)C 7a_106832991798_100000075568 [0,2,0,0,0,0|1,0,1]=4 4885 B10R0.42 CCCCOC(C)(C)C(=O)C 34a_100000747739_100000210210 [0,2,0,0,0,0|1,0,1]=4 4886 B10R0.42 CCCCOC(C)(C)C(=O)C 7a_100000210227_100000075568 [0,2,0,0,0,0|1,0,1]=4 4887 B10R0.42 CCCCOC(C)(C)C(=O)C 7a_100000747739_100000210211 [0,2,0,0,0,0|1,0,1]=4 4888 B10R0.42 CCCCSC(C)(C)C(=O)C 62a_100000075568_100000210210 [0,2,0,0,0,0|1,0,1]=4 4889 B10R0.42 CCCCSC(C)(C)C(=O)C 62a_100000210211_100000075568 [0,2,0,0,0,0|1,0,1]=4 4890 B10R0.86 CCCCCC(CC)C(=O)C 1458a_100000697129_200000210301 [0,2,0,0,0,0|0,0,2]=4 4891 B10R0.86 CCCCCC(CC)C(=O)[13CH3] 1458a_100000697129_200025704644 [0,2,0,0,0,0|0,0,2]=4 4892 B8R1.2 CCN1CC=CCC1 2230a_100000698166_100000210202 [1,0,0,1,0,0|1,0,1]=4 4893 B8R1.2 CCN1CC=CCC1 269982a_100000698166_100000204670 [1,0,0,1,0,0|1,0,1]=4 4894 B8R1.2 CCN1CC=CCC1 34a_100000698166_100000210202 [1,0,0,1,0,0|1,0,1]=4 4895 B8R1.2 COC1CC=CCC1 34a_100000073881_200000210301 [1,0,0,1,0,0|1,0,1]=4 4896 B8R1.2 [13CH3]OC1CC=CCC1 34a_100000073881_200025704644 [1,0,0,1,0,0|1,0,1]=4 4897 B8R1.8 CCCN1CC=CC1 269982a_100015195280_100000210303 [1,0,0,1,0,0|1,0,1]=4 4898 B8R1.8 CCNC1CC=CC1 2230a_100015188752_100000210202 [1,0,0,1,0,0|1,0,1]=4 4899 B8R1.8 COCC1CC=CC1 34a_100000688395_200000210301 [1,0,0,1,0,0|1,0,1]=4 4900 B8R1.8 O=CCN1CCCC1 2230a_100000188435_200015260668 [1,0,0,1,0,0|1,0,1]=4 4901 B8R1.8 O=CCN1CCCC1 269982a_100000188435_200015260668 [1,0,0,1,0,0|1,0,1]=4 4902 B8R1.8 [13CH3]OCC1CC=CC1 34a_100000688395_200025704644 [1,0,0,1,0,0|1,0,1]=4 4903 B8R1.10 C/C=C/CN1CCC1 269982a_100000754969_100102629194 [1,0,0,1,0,0|1,0,1]=4 4904 B8R1.10 CC=NNC1CCC1 4a_100000736358_200000210099 [1,0,0,1,0,0|2,0,0]=4 4905 B8R1.10 O=CCNC1CCC1 2230a_100000749019_200015260668 [1,0,0,1,0,0|1,0,1]=4 4906 B8R1.10 O=CCNC1CCC1 34a_100000749019_200009817547 [1,0,0,1,0,0|1,0,1]=4 4907 B8R1.10 O=CCOC1CCC1 34a_100000748187_200009817547 [1,0,0,1,0,0|1,0,1]=4 4908 B8R1.10 O=CCSC1CCC1 62a_200015260668_100000749161 [1,0,0,1,0,0|1,0,1]=4 4909 B8R1.13 CC1CCN1CC=O 269982a_100000755817_200015260668 [1,0,0,1,0,0|1,0,1]=4 4910 B8R1.13 CC1CCN1CC=O 34a_100000755817_200009817547 [1,0,0,1,0,0|1,0,1]=4 4911 B8R1.36 C/C=C/CNC1CC1 34a_100000212008_100102629194 [1,0,0,1,0,0|1,0,1]=4 4912 B8R1.36 C/C=C/COC1CC1 34a_100016270725_100000211595 [1,0,0,1,0,0|1,0,1]=4 4913 B8R1.36 C/C=C/CSC1CC1 62a_100102629194_100000211595 [1,0,0,1,0,0|1,0,1]=4 4914 B8R1.36 CC=CCNC1CC1 34a_100000212008_100000070051 [1,0,0,1,0,0|1,0,1]=4 4915 B8R1.36 CC=CCSC1CC1 62a_100000070051_100000211595 [1,0,0,1,0,0|1,0,1]=4 4916 B8R1.36 CC=NNCC1CC1 4a_100000736359_200000210099 [1,0,0,1,0,0|2,0,0]=4 4917 B8R1.36 O=CCNCC1CC1 2230a_100000735609_200015260668 [1,0,0,1,0,0|1,0,1]=4 4918 B8R1.36 O=CCNCC1CC1 34a_100000735609_200009817547 [1,0,0,1,0,0|1,0,1]=4 4919 B8R1.36 O=CCOCC1CC1 34a_100000211283_200009817547 [1,0,0,1,0,0|1,0,1]=4 4920 B8R1.36 O=CCSCC1CC1 62a_100000756562_200015260668 [1,0,0,1,0,0|1,0,1]=4 4921 B8R1.36 O=CCSCC1CC1 62a_200015260668_100000742324 [1,0,0,1,0,0|1,0,1]=4 4922 B8R1.1 CCN1CNC(=O)C1 2230a_200000708111_100000210202 [1,0,0,1,0,0|2,0,0]=4 4923 B8R1.1 CNC1CNC(=O)C1 2230a_100000697751_200000210301 [1,0,0,1,0,0|2,0,0]=4 4924 B8R1.1 COC1CCC(=O)C1 34a_100012614533_200000210301 [1,0,0,1,0,0|1,0,1]=4 4925 B8R1.1 COC1CNC(=O)C1 34a_100000690082_200000210301 [1,0,0,1,0,0|2,0,0]=4 4926 B8R1.1 [13CH3]NC1CNC(=O)C1 2230a_100000697751_200025704644 [1,0,0,1,0,0|2,0,0]=4 4927 B8R1.1 [13CH3]OC1CCC(=O)C1 34a_100012614533_200025704644 [1,0,0,1,0,0|1,0,1]=4 4928 B8R1.1 [13CH3]OC1CNC(=O)C1 34a_100000690082_200025704644 [1,0,0,1,0,0|2,0,0]=4 4929 B8R1.4 CC1=CCCN(C1)C 2230a_100000725631_200000210301 [1,0,0,1,0,0|2,0,0]=4 4930 B8R1.4 CC1=CCCN(C1)C 269982a_100000725631_200000210301 [1,0,0,1,0,0|2,0,0]=4 4931 B8R1.4 CC1=CCCN(C1)C 34a_100000725631_200000210301 [1,0,0,1,0,0|2,0,0]=4 4932 B8R1.4 CC1=CCCN(C1)[13CH3] 2230a_100000725631_200025704644 [1,0,0,1,0,0|2,0,0]=4 4933 B8R1.4 CC1=CCCN(C1)[13CH3] 269982a_100000725631_200025704644 [1,0,0,1,0,0|2,0,0]=4 4934 B8R1.4 CC1=CCCN(C1)[13CH3] 34a_100000725631_200025704644 [1,0,0,1,0,0|2,0,0]=4 4935 B8R1.4 CN1CCNC(=O)C1 2230a_100000184651_200000210301 [1,0,0,1,0,0|2,0,0]=4 4936 B8R1.4 CN1CCOC(=O)C1 2230a_100000131268_200000210301 [1,0,0,1,0,0|2,0,0]=4 4937 B8R1.4 [13CH3]N1CCNC(=O)C1 2230a_100000184651_200025704644 [1,0,0,1,0,0|2,0,0]=4 4938 B8R1.4 [13CH3]N1CCOC(=O)C1 2230a_100000131268_200025704644 [1,0,0,1,0,0|2,0,0]=4 4939 B8R1.6 CCSC1CC(=O)C1 62a_100009894365_100000210202 [1,0,0,1,0,0|1,0,1]=4 4940 B8R1.6 CNCC1CC(=O)C1 2230a_106832991635_100009874392 [1,0,0,1,0,0|1,0,1]=4 4941 B8R1.6 CNCC1CC(=O)C1 7a_106832991635_100009874392 [1,0,0,1,0,0|1,0,1]=4 4942 B8R1.6 COCC1CC(=O)C1 34a_100000101936_200000210301 [1,0,0,1,0,0|1,0,1]=4 4943 B8R1.6 CSCC1CC(=O)C1 62a_100009874392_200000210301 [1,0,0,1,0,0|1,0,1]=4 4944 B8R1.6 CSCC1CC(=O)C1 62a_200000210301_100009874392 [1,0,0,1,0,0|1,0,1]=4 4945 B8R1.6 [13CH3]OCC1CC(=O)C1 34a_100000101936_200025704644 [1,0,0,1,0,0|1,0,1]=4 4946 B8R1.6 [13CH3]SCC1CC(=O)C1 62a_100009874392_200025704644 [1,0,0,1,0,0|1,0,1]=4 4947 B8R1.6 [13CH3]SCC1CC(=O)C1 62a_200025704644_100009874392 [1,0,0,1,0,0|1,0,1]=4 4948 B8R1.7 CC(=O)C1=CCCC1 1458a_100000038896_200000210301 [1,0,0,1,0,0|0,0,0]=2 4949 B8R1.7 CC(=O)C1=CCOC1 1458a_100000139269_200000210301 [1,0,0,1,0,0|1,0,0]=3 4950 B8R1.7 CC(=O)C1=COCC1 1458a_100000750620_200000210301 [1,0,0,1,0,0|1,0,0]=3 4951 B8R1.7 CC(=O)C1CCCC1 1458a_100000070787_100000179811 [1,0,0,1,0,0|0,0,1]=3 4952 B8R1.7 CC(=O)C1CCCC1 1458a_100000210718_200000210301 [1,0,0,1,0,0|0,0,1]=3 4953 B8R1.7 CC(=O)C1CCCS1 1458a_100012002731_200000210301 [1,0,0,1,0,0|1,0,1]=4 4954 B8R1.7 CC(=O)C1CCOC1 1458a_100000070787_100000690089 [1,0,0,1,0,0|1,0,1]=4 4955 B8R1.7 CC(=O)C1CCOC1 1458a_100011219752_200000210301 [1,0,0,1,0,0|1,0,1]=4 4956 B8R1.7 CC(=O)N1CCCC1 240690a_100000188435_100015343762 [1,0,0,1,0,0|1,0,0]=3 4957 B8R1.7 CC(=O)N1CCCC1 527a_100000188435_100103153847 [1,0,0,1,0,0|1,0,0]=3 4958 B8R1.7 CC(=O)N1CCSC1 11a_100011215254_100015343762 [1,0,0,1,0,0|2,0,0]=4 4959 B8R1.7 CC(=O)N1CCSC1 240690a_100011215254_100015343762 [1,0,0,1,0,0|2,0,0]=4 4960 B8R1.7 CC(=O)N1CCSC1 527a_100011215254_100103153847 [1,0,0,1,0,0|2,0,0]=4 4961 B8R1.7 CC(=O)[C@@H]1CCCO1 1458a_100000686382_200000210301 [1,0,0,1,0,0|1,0,1]=4 4962 B8R1.7 [13CH3]C(=O)C1=CCCC1 1458a_100000038896_200025704644 [1,0,0,1,0,0|0,0,0]=2 4963 B8R1.7 [13CH3]C(=O)C1=CCOC1 1458a_100000139269_200025704644 [1,0,0,1,0,0|1,0,0]=3 4964 B8R1.7 [13CH3]C(=O)C1=COCC1 1458a_100000750620_200025704644 [1,0,0,1,0,0|1,0,0]=3 4965 B8R1.7 [13CH3]C(=O)C1CCCC1 1458a_100000210718_200025704644 [1,0,0,1,0,0|0,0,1]=3 4966 B8R1.7 [13CH3]C(=O)C1CCCS1 1458a_100012002731_200025704644 [1,0,0,1,0,0|1,0,1]=4 4967 B8R1.7 [13CH3]C(=O)C1CCOC1 1458a_100011219752_200025704644 [1,0,0,1,0,0|1,0,1]=4 4968 B8R1.7 [13CH3]C(=O)[C@@H]1CCCO1 1458a_100000686382_200025704644 [1,0,0,1,0,0|1,0,1]=4 4969 B8R1.20 CC(=O)N[C@@H]1C[C@@H]1F 240690a_100015190264_100015343762 [1,0,0,1,0,0|2,0,0]=4 4970 B8R1.20 CC(=O)N[C@@H]1C[C@@H]1F 527a_100015190264_100103153847 [1,0,0,1,0,0|2,0,0]=4 4971 B8R1.20 CC(=O)N[C@@H]1C[C@H]1F 11a_100025746932_100015343762 [1,0,0,1,0,0|2,0,0]=4 4972 B8R1.20 CC(=O)N[C@@H]1C[C@H]1F 1626a_100025746932_100015343762 [1,0,0,1,0,0|2,0,0]=4 4973 B8R1.20 CC(=O)N[C@@H]1C[C@H]1F 240690a_100025746932_100015343762 [1,0,0,1,0,0|2,0,0]=4 4974 B8R1.20 CC(=O)N[C@@H]1C[C@H]1F 527a_100025746932_100103153847 [1,0,0,1,0,0|2,0,0]=4 4975 B8R1.31 CC(=O)N1CCC1C 11a_100000755817_100015343762 [1,0,0,1,0,0|1,0,0]=3 4976 B8R1.31 CC(=O)N1CCC1C 240690a_100000755817_100015343762 [1,0,0,1,0,0|1,0,0]=3 4977 B8R1.31 CC(=O)N1CCC1C 527a_100000755817_100103153847 [1,0,0,1,0,0|1,0,0]=3 4978 B8R1.34 CC(=O)C=C1CCC1 1458a_100000686340_200000210301 [1,0,0,1,0,0|0,0,0]=2 4979 B8R1.34 CC(=O)CC1CCC1 1458a_100000070787_100000763275 [1,0,0,1,0,0|0,0,1]=3 4980 B8R1.34 CC(=O)CC1CCC1 1458a_100000763092_200000210301 [1,0,0,1,0,0|0,0,1]=3 4981 B8R1.34 CC(=O)CC1CCO1 1458a_100000070787_100000103362 [1,0,0,1,0,0|1,0,1]=4 4982 B8R1.34 CC(=O)CC1COC1 1458a_100000070787_100010264016 [1,0,0,1,0,0|1,0,1]=4 4983 B8R1.34 CC(=O)CC1COC1 1458a_100000687760_200000210301 [1,0,0,1,0,0|1,0,1]=4 4984 B8R1.34 CC(=O)NC1CCC1 11a_100000749019_100015343762 [1,0,0,1,0,0|1,0,0]=3 4985 B8R1.34 CC(=O)NC1CCC1 1626a_100000749019_100015343762 [1,0,0,1,0,0|1,0,0]=3 4986 B8R1.34 CC(=O)NC1CCC1 240690a_100000749019_100015343762 [1,0,0,1,0,0|1,0,0]=3 4987 B8R1.34 CC(=O)NC1CCC1 527a_100000749019_100103153847 [1,0,0,1,0,0|1,0,0]=3 4988 B8R1.34 CC(=O)NC1COC1 11a_100016991112_100015343762 [1,0,0,1,0,0|2,0,0]=4 4989 B8R1.34 CC(=O)NC1COC1 1626a_100016991112_100015343762 [1,0,0,1,0,0|2,0,0]=4 4990 B8R1.34 CC(=O)NC1COC1 240690a_100016991112_100015343762 [1,0,0,1,0,0|2,0,0]=4 4991 B8R1.34 CC(=O)NC1COC1 527a_100016991112_100103153847 [1,0,0,1,0,0|2,0,0]=4 4992 B8R1.34 CC(=O)NC1CSC1 11a_100016994217_100015343762 [1,0,0,1,0,0|2,0,0]=4 4993 B8R1.34 CC(=O)NC1CSC1 1626a_100016994217_100015343762 [1,0,0,1,0,0|2,0,0]=4 4994 B8R1.34 CC(=O)NC1CSC1 240690a_100016994217_100015343762 [1,0,0,1,0,0|2,0,0]=4 4995 B8R1.34 CC(=O)NC1CSC1 527a_100016994217_100103153847 [1,0,0,1,0,0|2,0,0]=4 4996 B8R1.34 [13CH3]C(=O)C=C1CCC1 1458a_100000686340_200025704644 [1,0,0,1,0,0|0,0,0]=2 4997 B8R1.34 [13CH3]C(=O)CC1CCC1 1458a_100000763092_200025704644 [1,0,0,1,0,0|0,0,1]=3 4998 B8R1.34 [13CH3]C(=O)CC1COC1 1458a_100000687760_200025704644 [1,0,0,1,0,0|1,0,1]=4 4999 B8R1.35 CC(=O)C=CC1CC1 1458a_100102529529_200000210301 [1,0,0,1,0,0|0,0,0]=2 5000 B8R1.35 CC(=O)CCC1CC1 1458a_100000070787_100000694398 [1,0,0,1,0,0|0,0,1]=3 5001 B8R1.35 CC(=O)CCC1CC1 1458a_100000756386_200000210301 [1,0,0,1,0,0|0,0,1]=3 5002 B8R1.35 CC(=O)CCC1CO1 1458a_100000070787_100000732470 [1,0,0,1,0,0|1,0,1]=4 5003 B8R1.35 CC(=O)COC1CC1 34a_100000211253_100000211595 [1,0,0,1,0,0|1,0,1]=4 5004 B8R1.35 CC(=O)NCC1CC1 11a_100000735609_100015343762 [1,0,0,1,0,0|1,0,0]=3 5005 B8R1.35 CC(=O)NCC1CC1 1626a_100000735609_100015343762 [1,0,0,1,0,0|1,0,0]=3 5006 B8R1.35 CC(=O)NCC1CC1 240690a_100000735609_100015343762 [1,0,0,1,0,0|1,0,0]=3 5007 B8R1.35 CC(=O)NCC1CC1 527a_100000735609_100103153847 [1,0,0,1,0,0|1,0,0]=3 5008 B8R1.35 CC(=O)NNC1CC1 22a_100000701032_100000070787 [1,0,0,1,0,0|2,0,0]=4 5009 B8R1.35 [13CH3]C(=O)C=CC1CC1 1458a_100102529529_200025704644 [1,0,0,1,0,0|0,0,0]=2 5010 B8R1.35 [13CH3]C(=O)CCC1CC1 1458a_100000756386_200025704644 [1,0,0,1,0,0|0,0,1]=3 5011 B8R1.43 CCC1CC1C(=O)C 1458a_200011661523_200000210301 [1,0,0,1,0,0|0,0,1]=3 5012 B8R1.43 CCC1CC1C(=O)[13CH3] 1458a_200011661523_200025704644 [1,0,0,1,0,0|0,0,1]=3 5013 B10R1.13 CC(=O)C1CCC(CC1)C 1458a_100000070787_200011216234 [0,1,0,1,0,0|0,0,2]=4 5014 B10R1.13 CC(=O)C1CCC(CC1)O 1458a_100000743365_200000210301 [0,1,0,1,0,0|0,0,2]=4 5015 B10R1.13 CC(=O)N1CCC(CC1)C 240690a_100000188429_100015343762 [0,1,0,1,0,0|1,0,1]=4 5016 B10R1.13 CC(=O)N1CCC(CC1)C 527a_100000188429_100103153847 [0,1,0,1,0,0|1,0,1]=4 5017 B10R1.13 CC(=O)N1CCC(CC1)F 11a_100015193889_100015343762 [0,1,0,1,0,0|1,0,1]=4 5018 B10R1.13 CC(=O)N1CCC(CC1)F 1626a_100015193889_100015343762 [0,1,0,1,0,0|1,0,1]=4 5019 B10R1.13 CC(=O)N1CCC(CC1)F 240690a_100015193889_100015343762 [0,1,0,1,0,0|1,0,1]=4 5020 B10R1.13 CC(=O)N1CCC(CC1)F 527a_100015193889_100103153847 [0,1,0,1,0,0|1,0,1]=4 5021 B10R1.13 CC(=O)N1CCC(CC1)O 240690a_100025773856_100015343762 [0,1,0,1,0,0|1,0,1]=4 5022 B10R1.13 CC(=O)N1CCC(CC1)O 527a_100025773856_100103153847 [0,1,0,1,0,0|1,0,1]=4 5023 B10R1.13 CC(=O)[C@H]1CC[C@@H](CC1)C 1458a_100009815934_200000210301 [0,1,0,1,0,0|0,0,2]=4 5024 B10R1.13 C[C@H]1CC[C@@H](CC1)C(=O)[13CH3] 1458a_100009815934_200025704644 [0,1,0,1,0,0|0,0,2]=4 5025 B10R1.13 [13CH3]C(=O)C1CCC(CC1)O 1458a_100000743365_200025704644 [0,1,0,1,0,0|0,0,2]=4 5026 B10R1.54 CC(=O)N[C@H]1CC[C@H](C1)O 1626a_100015195300_100015343762 [0,1,0,1,0,0|1,0,1]=4 5027 B10R1.54 CC(=O)N[C@H]1CC[C@H](C1)O 240690a_100015195300_100015343762 [0,1,0,1,0,0|1,0,1]=4 5028 B10R1.117 CC(=CCN1CCC1C)C 269982a_100000755817_100000761012 [0,1,0,1,0,0|1,0,1]=4 5029 B10R1.117 CC(=CCN1CCC1C)C 34a_100000755817_100000761012 [0,1,0,1,0,0|1,0,1]=4 5030 B10R1.117 CC(=O)CCN1CCC1C 269982a_100000755817_100000053229 [0,1,0,1,0,0|0,0,2]=4 5031 B10R1.117 CC(=O)OCN1CCC1C 269982a_100000755817_100000076356 [0,1,0,1,0,0|1,0,1]=4 5032 B10R1.117 CC(=O)OCN1CCC1C 34a_100000755817_100009813279 [0,1,0,1,0,0|1,0,1]=4 5033 B10R1.127 C=C(C)C=NNC1CCC1 4a_100000736358_100000210575 [0,1,0,1,0,0|2,0,0]=4 5034 B10R1.127 CC(=CCCN1CCC1)C 269982a_100000754969_100011217483 [0,1,0,1,0,0|1,0,1]=4 5035 B10R1.127 CC(=CCNC1CCC1)C 2230a_100000749019_100000761012 [0,1,0,1,0,0|1,0,1]=4 5036 B10R1.127 CC(=CCNC1CCC1)C 270004a_100000718196_100000241760 [0,1,0,1,0,0|1,0,1]=4 5037 B10R1.127 CC(=CCNC1CCC1)C 34a_100000718196_100000749161 [0,1,0,1,0,0|1,0,1]=4 5038 B10R1.127 CC(=CCNC1CCC1)C 34a_100000749019_100000761012 [0,1,0,1,0,0|1,0,1]=4 5039 B10R1.127 CC(=CCOC1CCC1)C 34a_100000748187_100000761012 [0,1,0,1,0,0|1,0,1]=4 5040 B10R1.127 CC(=CCOC1CCC1)C 34a_100000753907_100000749161 [0,1,0,1,0,0|1,0,1]=4 5041 B10R1.127 CC(=CCSC1CCC1)C 62a_100000761012_100000749161 [0,1,0,1,0,0|1,0,1]=4 5042 B10R1.127 CC(=O)CCCN1CCC1 269982a_100000754969_100011215641 [0,1,0,1,0,0|0,0,2]=4 5043 B10R1.127 CC(=O)CCOC1CCC1 34a_100000759926_100000749161 [0,1,0,1,0,0|0,0,2]=4 5044 B10R1.127 CC(=O)CCSC1CCC1 62a_100000053229_100000749161 [0,1,0,1,0,0|0,0,2]=4 5045 B10R1.127 CC(=O)COCC1CCC1 34a_100000211253_100000763275 [0,1,0,1,0,0|0,0,2]=4 5046 B10R1.127 CC(=O)COCC1CCO1 34a_100000211253_100000103362 [0,1,0,1,0,0|1,0,1]=4 5047 B10R1.127 CC(=O)COCC1COC1 34a_100000211253_100010264016 [0,1,0,1,0,0|1,0,1]=4 5048 B10R1.127 CC(=O)NCCN1CCC1 240690a_100000691440_100015343762 [0,1,0,1,0,0|1,0,1]=4 5049 B10R1.127 CC(=O)NCCN1CCC1 269982a_100000754969_100000189650 [0,1,0,1,0,0|1,0,1]=4 5050 B10R1.127 CC(=O)NN=CC1CCC1 4a_100000189765_100000753134 [0,1,0,1,0,0|1,0,0]=3 5051 B10R1.127 CC(=O)NN=CC1COC1 4a_100000189765_100010291929 [0,1,0,1,0,0|2,0,0]=4 5052 B10R1.127 CC(=O)NNCC1CCC1 22a_200020586977_100000070787 [0,1,0,1,0,0|1,0,1]=4 5053 B10R1.127 CC(=O)OCCN1CCC1 269982a_100000754969_100009814007 [0,1,0,1,0,0|1,0,1]=4 5054 B10R1.127 CC(=O)OCNC1CCC1 34a_100000749019_100009813279 [0,1,0,1,0,0|1,0,1]=4 5055 B10R1.127 CC(=O)OCOC1CCC1 34a_100000748187_100009813279 [0,1,0,1,0,0|1,0,1]=4 5056 B10R1.127 CC(=O)OCSC1CCC1 62a_100000076356_100000749161 [0,1,0,1,0,0|1,0,1]=4 5057 B10R1.153 CCC(=O)COCC1CC1 34a_100000725409_100000742324 [0,1,0,1,0,0|1,0,1]=4 5058 B10R1.153 CCC(=O)CSCC1CC1 1458a_200011316215_100000210202 [0,1,0,1,0,0|1,0,1]=4 5059 B10R1.153 CCC(=O)CSCC1CC1 62a_100000747405_100000742324 [0,1,0,1,0,0|1,0,1]=4 5060 B10R1.153 CCC(=O)CSCC1CC1 62a_100000756562_100000747405 [0,1,0,1,0,0|1,0,1]=4 5061 B10R1.153 CCC(=O)NCCC1CC1 1626a_100000764129_100000210414 [0,1,0,1,0,0|1,0,1]=4 5062 B10R1.153 CCC(=O)NCCC1CC1 240690a_100000764129_100000210414 [0,1,0,1,0,0|1,0,1]=4 5063 B10R1.153 CCC(=O)NCCC1CC1 527a_100000764129_100000210414 [0,1,0,1,0,0|1,0,1]=4 5064 B10R1.153 CCC(=O)NNCC1CC1 22a_100000736359_100000210414 [0,1,0,1,0,0|2,0,0]=4 5065 B10R1.153 CNC(=O)CNCC1CC1 2230a_100000693194_100000742324 [0,1,0,1,0,0|1,0,1]=4 5066 B10R1.153 CNC(=O)CNCC1CC1 2230a_100000735609_100000183359 [0,1,0,1,0,0|1,0,1]=4 5067 B10R1.153 CNC(=O)CNCC1CC1 269862a_100000693194_100000741477 [0,1,0,1,0,0|1,0,1]=4 5068 B10R1.153 CNC(=O)CNCC1CC1 34a_100000735609_100000183359 [0,1,0,1,0,0|1,0,1]=4 5069 B10R1.153 CNC(=O)COCC1CC1 34a_100000211283_100000183359 [0,1,0,1,0,0|1,0,1]=4 5070 B10R1.153 CNC(=O)COCC1CC1 34a_100000750040_100000742324 [0,1,0,1,0,0|1,0,1]=4 5071 B10R1.153 CNC(=O)CSCC1CC1 11a_106832991635_200011316215 [0,1,0,1,0,0|1,0,1]=4 5072 B10R1.153 CNC(=O)CSCC1CC1 1626a_100102657272_200011316215 [0,1,0,1,0,0|1,0,1]=4 5073 B10R1.153 CNC(=O)CSCC1CC1 240690a_100102657272_200011316215 [0,1,0,1,0,0|1,0,1]=4 5074 B10R1.153 CNC(=O)CSCC1CC1 527a_100102657272_200011316215 [0,1,0,1,0,0|1,0,1]=4 5075 B10R1.153 CNC(=O)CSCC1CC1 62a_100000183359_100000742324 [0,1,0,1,0,0|1,0,1]=4 5076 B10R1.153 CNC(=O)CSCC1CC1 62a_100000756562_100000183359 [0,1,0,1,0,0|1,0,1]=4 5077 B10R1.153 CNC(=O)NCCC1CC1 2708a_100000764129_106832991635 [0,1,0,1,0,0|1,0,1]=4 5078 B10R1.153 CNC(=O)NCCC1CC1 2708a_100102657272_100000764129 [0,1,0,1,0,0|1,0,1]=4 5079 B10R1.153 CNC(=O)NCCC1CC1 273464a_100000764129_100102657272 [0,1,0,1,0,0|1,0,1]=4 5080 B10R1.153 CNC(=O)NCCC1CC1 273464a_100102657272_100000764129 [0,1,0,1,0,0|1,0,1]=4 5081 B10R1.153 CNC(=O)NCCC1CC1 512a_100000764129_100102657272 [0,1,0,1,0,0|1,0,1]=4 5082 B10R1.153 CNC(=O)NCCC1CC1 512a_106832991638_100000764129 [0,1,0,1,0,0|1,0,1]=4 5083 B10R1.153 CNC(=O)NNCC1CC1 273464a_100102657272_100000736359 [0,1,0,1,0,0|2,0,0]=4 5084 B10R1.153 CNC(=O)NNCC1CC1 512a_100000736359_100102657272 [0,1,0,1,0,0|2,0,0]=4 5085 B10R1.153 CNC(=O)NNCC1CC1 512a_106832991638_100000736359 [0,1,0,1,0,0|2,0,0]=4 5086 B10R1.153 COC(=O)C=NNC1CC1 4a_100000701032_200011823558 [0,1,0,1,0,0|2,0,0]=4 5087 B10R1.153 COC(=O)CNCC1CC1 2230a_100000735609_100000747449 [0,1,0,1,0,0|1,0,1]=4 5088 B10R1.153 COC(=O)CNCC1CC1 34a_100000735609_100000747449 [0,1,0,1,0,0|1,0,1]=4 5089 B10R1.153 COC(=O)COCC1CC1 34a_100000211283_100000747449 [0,1,0,1,0,0|1,0,1]=4 5090 B10R1.153 COC(=O)CSCC1CC1 62a_100000747449_100000742324 [0,1,0,1,0,0|1,0,1]=4 5091 B10R1.153 COC(=O)CSCC1CC1 62a_100000756562_100000747449 [0,1,0,1,0,0|1,0,1]=4 5092 B10R1.153 O=C(CF)CSCC1CC1 1458a_200011316215_100015361967 [0,1,0,1,0,0|1,0,1]=4 5093 B10R1.153 O=C(CO)NCCC1CC1 240690a_100000764129_100000210174 [0,1,0,1,0,0|1,0,1]=4 5094 B10R1.153 O=C(CO)NCCC1CC1 527a_100000764129_100000210174 [0,1,0,1,0,0|1,0,1]=4 5095 B10R1.153 O=C(CO)NNCC1CC1 22a_100000736359_100000210174 [0,1,0,1,0,0|2,0,0]=4 5096 B10R1.10 CCCN1CCC=C(C1)C 2230a_100000725631_100000210303 [0,1,0,1,0,0|1,0,1]=4 5097 B10R1.10 CCCN1CCC=C(C1)C 269982a_100000725631_100000210303 [0,1,0,1,0,0|1,0,1]=4 5098 B10R1.10 CCCN1CCC=C(C1)C 34a_100000725631_100000210303 [0,1,0,1,0,0|1,0,1]=4 5099 B10R1.10 CCCN1CCNC(=O)C1 2230a_100000184651_100000210303 [0,1,0,1,0,0|1,0,1]=4 5100 B10R1.10 CCCN1CCOC(=O)C1 2230a_100000131268_100000210303 [0,1,0,1,0,0|1,0,1]=4 5101 B10R1.10 CCNC1CCNC(=O)C1 2230a_100016994916_100000210202 [0,1,0,1,0,0|1,0,1]=4 5102 B10R1.10 CCNC1CCNC(=O)C1 34a_100016994916_100000210202 [0,1,0,1,0,0|1,0,1]=4 5103 B10R1.10 CCOC1CCCC(=O)C1 34a_100012613340_100000210202 [0,1,0,1,0,0|0,0,2]=4 5104 B10R1.10 CCO[C@@H]1CCNC(=O)C1 34a_100015189427_100000210202 [0,1,0,1,0,0|1,0,1]=4 5105 B10R1.10 COCC1CCNC(=O)C1 34a_100009886756_200000210301 [0,1,0,1,0,0|1,0,1]=4 5106 B10R1.10 [13CH3]OCC1CCNC(=O)C1 34a_100009886756_200025704644 [0,1,0,1,0,0|1,0,1]=4 5107 B10R1.16 CCCCN1CNC(=O)C1 2230a_200000708111_100000210211 [0,1,0,1,0,0|1,0,1]=4 5108 B10R1.16 CCCCc1c[nH]c(n1)C 271570a_100020621405_100009814057 [0,1,0,1,0,0|1,0,0]=3 5109 B10R1.16 CCCCc1cc([nH]n1)C 271570a_100020621405_100015199547 [0,1,0,1,0,0|1,0,0]=3 5110 B10R1.16 CCCCc1cc([nH]n1)N 271570a_100020621405_100009822546 [0,1,0,1,0,0|2,0,0]=4 5111 B10R1.16 CCCCc1cc(cs1)C 271570a_100020621405_100009876951 [0,1,0,1,0,0|0,1,0]=3 5112 B10R1.16 CCCCc1cc(n[nH]1)Br 271570a_100020621405_100160470719 [0,1,0,1,0,0|2,0,0]=4 5113 B10R1.16 CCCCc1cc(ns1)C 271570a_100020621405_100009815735 [0,1,0,1,0,0|0,1,0]=3 5114 B10R1.16 CCCCc1ccc(s1)Br 271570a_100020621405_100010197418 [0,1,0,1,0,0|1,1,0]=4 5115 B10R1.16 CCCCc1ccc(s1)C 271570a_100020621405_100000761539 [0,1,0,1,0,0|0,1,0]=3 5116 B10R1.16 CCCCc1ccn(n1)C 271570a_100020621405_100000752436 [0,1,0,1,0,0|2,0,0]=4 5117 B10R1.16 CCCCc1cn(cn1)C 271570a_100020621405_100000040308 [0,1,0,1,0,0|2,0,0]=4 5118 B10R1.16 CCCCc1cn(nn1)C 271570a_100020621405_100000760339 [0,1,0,1,0,0|2,0,0]=4 5119 B10R1.16 CCCCc1cn(nn1)C 274090a_200000210301_100000039217 [0,1,0,1,0,0|2,0,0]=4 5120 B10R1.16 CCCCc1cn(nn1)[13CH3] 274090a_200025704644_100000039217 [0,1,0,1,0,0|2,0,0]=4 5121 B10R1.16 CCCCc1cnc(s1)C 271570a_100020621405_100000764884 [0,1,0,1,0,0|0,1,0]=3 5122 B10R1.16 CCCCc1cnn(c1)C 271570a_100020621405_100000748075 [0,1,0,1,0,0|2,0,0]=4 5123 B10R1.16 CCCCc1cnn(n1)C 271570a_100020621405_100000733932 [0,1,0,1,0,0|2,0,0]=4 5124 B10R1.16 CCCCc1csc(c1)C 271570a_100020621405_100000759034 [0,1,0,1,0,0|0,1,0]=3 5125 B10R1.16 CCCCc1csc(n1)C 271570a_100020621405_100011934587 [0,1,0,1,0,0|1,0,0]=3 5126 B10R1.16 CCCCc1csc(n1)N 271570a_100020621405_100011998049 [0,1,0,1,0,0|2,0,0]=4 5127 B10R1.16 CCCCc1n[nH]c(n1)C 271570a_100020621405_100000732540 [0,1,0,1,0,0|2,0,0]=4 5128 B10R1.16 CCCCc1nc(c[nH]1)C 271570a_100020621405_100161115468 [0,1,0,1,0,0|1,0,0]=3 5129 B10R1.16 CCCCc1nc(cs1)Br 271570a_100020621405_200016082925 [0,1,0,1,0,0|2,0,0]=4 5130 B10R1.16 CCCCc1nc(cs1)C 271570a_100020621405_100011291629 [0,1,0,1,0,0|1,0,0]=3 5131 B10R1.16 CCCCc1nc(cs1)N 271570a_100020621405_200015188442 [0,1,0,1,0,0|2,0,0]=4 5132 B10R1.16 CCCCc1nc(no1)C 270196a_100000212224_100000210183 [0,1,0,1,0,0|1,0,1]=4 5133 B10R1.16 CCCCc1nc(ns1)C 271570a_100020621405_100000709739 [0,1,0,1,0,0|1,1,0]=4 5134 B10R1.16 CCCCc1ncc(s1)C 271570a_100020621405_100000690809 [0,1,0,1,0,0|0,1,0]=3 5135 B10R1.16 CCCCc1ncn(n1)C 271570a_100020621405_100009819955 [0,1,0,1,0,0|2,0,0]=4 5136 B10R1.16 CCCCc1nnc(o1)C 271570a_100020621405_100000708914 [0,1,0,1,0,0|1,0,1]=4 5137 B10R1.16 CCCCc1nnc(s1)C 271570a_100020621405_100000686958 [0,1,0,1,0,0|1,1,0]=4 5138 B10R1.16 CCCCc1noc(n1)C 270196a_100011193411_100000070787 [0,1,0,1,0,0|1,0,1]=4 5139 B10R1.16 CCCCc1noc(n1)C 271570a_100020621405_100012003639 [0,1,0,1,0,0|1,0,1]=4 5140 B10R1.16 CCCCn1cc(nn1)C 274090a_100000210209_200000242740 [0,1,0,1,0,0|2,0,0]=4 5141 B10R1.16 CCCNC1CNC(=O)C1 2230a_100000697751_100000210303 [0,1,0,1,0,0|1,0,1]=4 5142 B10R1.16 CCCOC1CCC(=O)C1 34a_100012614533_100000210303 [0,1,0,1,0,0|0,0,2]=4 5143 B10R1.16 CCCOC1CNC(=O)C1 34a_100000690082_100000210303 [0,1,0,1,0,0|1,0,1]=4 5144 B10R1.16 CCCSc1c[nH]c(n1)C 62a_100000210303_100009814057 [0,1,0,1,0,0|2,0,0]=4 5145 B10R1.16 CCCSc1c[nH]c(n1)C 62a_100009814057_100000210303 [0,1,0,1,0,0|2,0,0]=4 5146 B10R1.16 CCCSc1cc([nH]n1)C 62a_100000210303_100009819999 [0,1,0,1,0,0|2,0,0]=4 5147 B10R1.16 CCCSc1cc([nH]n1)C 62a_100009819999_100000210303 [0,1,0,1,0,0|2,0,0]=4 5148 B10R1.16 CCCSc1cc(cs1)C 62a_100000210303_100009876951 [0,1,0,1,0,0|1,1,0]=4 5149 B10R1.16 CCCSc1cc(cs1)C 62a_100009876951_100000210303 [0,1,0,1,0,0|1,1,0]=4 5150 B10R1.16 CCCSc1cc(ns1)C 62a_100000210303_100009815735 [0,1,0,1,0,0|1,1,0]=4 5151 B10R1.16 CCCSc1cc(ns1)C 62a_100009815735_100000210303 [0,1,0,1,0,0|1,1,0]=4 5152 B10R1.16 CCCSc1cc(on1)C 62a_100000210303_100000716708 [0,1,0,1,0,0|1,0,1]=4 5153 B10R1.16 CCCSc1cc(on1)C 62a_100000716708_100000210303 [0,1,0,1,0,0|1,0,1]=4 5154 B10R1.16 CCCSc1ccc(s1)C 62a_100000031368_100000210303 [0,1,0,1,0,0|0,1,1]=4 5155 B10R1.16 CCCSc1ccc(s1)C 62a_100000210303_100000031368 [0,1,0,1,0,0|0,1,1]=4 5156 B10R1.16 CCCSc1cnc(s1)C 62a_100000210303_100000764884 [0,1,0,1,0,0|1,1,0]=4 5157 B10R1.16 CCCSc1cnc(s1)C 62a_100000764884_100000210303 [0,1,0,1,0,0|1,1,0]=4 5158 B10R1.16 CCCSc1csc(c1)C 62a_100000210303_100000759034 [0,1,0,1,0,0|1,1,0]=4 5159 B10R1.16 CCCSc1csc(c1)C 62a_100000759034_100000210303 [0,1,0,1,0,0|1,1,0]=4 5160 B10R1.16 CCCSc1csc(n1)C 62a_100000210303_100011934587 [0,1,0,1,0,0|2,0,0]=4 5161 B10R1.16 CCCSc1csc(n1)C 62a_100011934587_100000210303 [0,1,0,1,0,0|2,0,0]=4 5162 B10R1.16 CCCSc1nc(c[nH]1)C 62a_100000210303_100161115468 [0,1,0,1,0,0|2,0,0]=4 5163 B10R1.16 CCCSc1nc(c[nH]1)C 62a_100161115468_100000210303 [0,1,0,1,0,0|2,0,0]=4 5164 B10R1.16 CCCSc1nc(cs1)C 62a_100000210303_100011291629 [0,1,0,1,0,0|2,0,0]=4 5165 B10R1.16 CCCSc1nc(cs1)C 62a_100011291629_100000210303 [0,1,0,1,0,0|2,0,0]=4 5166 B10R1.16 CCCSc1ncc(s1)C 62a_100000210303_100000690809 [0,1,0,1,0,0|1,1,0]=4 5167 B10R1.16 CCCSc1ncc(s1)C 62a_100000690809_100000210303 [0,1,0,1,0,0|1,1,0]=4 5168 B10R1.16 CCNCC1CNC(=O)C1 2230a_100016993742_100000210202 [0,1,0,1,0,0|1,0,1]=4 5169 B10R1.16 CCNCC1CNC(=O)C1 34a_100016993742_100000210202 [0,1,0,1,0,0|1,0,1]=4 5170 B10R1.16 CCNCc1c[nH]c(n1)C 207a_100015525214_100011219055 [0,1,0,1,0,0|2,0,0]=4 5171 B10R1.16 CCNCc1cc(cs1)C 207a_100015525214_100102525248 [0,1,0,1,0,0|1,1,0]=4 5172 B10R1.16 CCNCc1cc(cs1)C 2230a_100015204214_100000210202 [0,1,0,1,0,0|1,1,0]=4 5173 B10R1.16 CCNCc1cc(cs1)C 270004a_100015525214_100102525248 [0,1,0,1,0,0|1,1,0]=4 5174 B10R1.16 CCNCc1cc(cs1)C 34a_100015204214_100000210202 [0,1,0,1,0,0|1,1,0]=4 5175 B10R1.16 CCNCc1cc(n[nH]1)C 207a_100015525214_100000028150 [0,1,0,1,0,0|2,0,0]=4 5176 B10R1.16 CCNCc1cc(n[nH]1)C 270004a_100015525214_100000028150 [0,1,0,1,0,0|2,0,0]=4 5177 B10R1.16 CCNCc1cc(no1)C 207a_100015525214_100011794430 [0,1,0,1,0,0|1,0,1]=4 5178 B10R1.16 CCNCc1cc(no1)C 2230a_100000745748_100000210202 [0,1,0,1,0,0|1,0,1]=4 5179 B10R1.16 CCNCc1cc(no1)C 2230a_100015525214_100000707947 [0,1,0,1,0,0|1,0,1]=4 5180 B10R1.16 CCNCc1cc(no1)C 270004a_100015525214_100011794430 [0,1,0,1,0,0|1,0,1]=4 5181 B10R1.16 CCNCc1cc(no1)C 34a_100000745748_100000210202 [0,1,0,1,0,0|1,0,1]=4 5182 B10R1.16 CCNCc1cc(on1)C 207a_100015525214_100011217994 [0,1,0,1,0,0|1,0,1]=4 5183 B10R1.16 CCNCc1cc(on1)C 2230a_100000745230_100000210202 [0,1,0,1,0,0|1,0,1]=4 5184 B10R1.16 CCNCc1cc(on1)C 2230a_100015525214_100000199038 [0,1,0,1,0,0|1,0,1]=4 5185 B10R1.16 CCNCc1cc(on1)C 270004a_100015525214_100011217994 [0,1,0,1,0,0|1,0,1]=4 5186 B10R1.16 CCNCc1cc(on1)C 34a_100000745230_100000210202 [0,1,0,1,0,0|1,0,1]=4 5187 B10R1.16 CCNCc1cc(sn1)C 207a_100015525214_200000100279 [0,1,0,1,0,0|1,1,0]=4 5188 B10R1.16 CCNCc1cc(sn1)C 270004a_100015525214_200000100279 [0,1,0,1,0,0|1,1,0]=4 5189 B10R1.16 CCNCc1ccc(o1)C 207a_100015525214_100000183696 [0,1,0,1,0,0|0,0,2]=4 5190 B10R1.16 CCNCc1ccc(o1)C 270004a_100015525214_100000183696 [0,1,0,1,0,0|0,0,2]=4 5191 B10R1.16 CCNCc1ccc(o1)C 34a_100011194323_100000210202 [0,1,0,1,0,0|0,0,2]=4 5192 B10R1.16 CCNCc1ccc(s1)C 207a_100015525214_100000211121 [0,1,0,1,0,0|0,1,1]=4 5193 B10R1.16 CCNCc1ccc(s1)C 2230a_100000238518_100000210202 [0,1,0,1,0,0|0,1,1]=4 5194 B10R1.16 CCNCc1ccc(s1)C 270004a_100015525214_100000211121 [0,1,0,1,0,0|0,1,1]=4 5195 B10R1.16 CCNCc1cnc(o1)C 207a_100015525214_100000084308 [0,1,0,1,0,0|1,0,1]=4 5196 B10R1.16 CCNCc1cnc(o1)C 270004a_100015525214_100000084308 [0,1,0,1,0,0|1,0,1]=4 5197 B10R1.16 CCNCc1cnc(s1)C 207a_100015525214_100000740557 [0,1,0,1,0,0|1,1,0]=4 5198 B10R1.16 CCNCc1cnc(s1)C 2230a_100015525214_100020635045 [0,1,0,1,0,0|1,1,0]=4 5199 B10R1.16 CCNCc1cnc(s1)C 2230a_200000743601_100000210202 [0,1,0,1,0,0|1,1,0]=4 5200 B10R1.16 CCNCc1cnc(s1)C 270004a_100015525214_100000740557 [0,1,0,1,0,0|1,1,0]=4 5201 B10R1.16 CCNCc1coc(n1)C 207a_100015525214_100011361629 [0,1,0,1,0,0|2,0,0]=4 5202 B10R1.16 CCNCc1coc(n1)C 270004a_100015525214_100011361629 [0,1,0,1,0,0|2,0,0]=4 5203 B10R1.16 CCNCc1csc(c1)C 207a_100015525214_100011998532 [0,1,0,1,0,0|1,1,0]=4 5204 B10R1.16 CCNCc1csc(c1)C 270004a_100015525214_100011998532 [0,1,0,1,0,0|1,1,0]=4 5205 B10R1.16 CCNCc1csc(n1)C 207a_100015525214_100000203724 [0,1,0,1,0,0|2,0,0]=4 5206 B10R1.16 CCNCc1csc(n1)C 2230a_100015525214_100015186478 [0,1,0,1,0,0|2,0,0]=4 5207 B10R1.16 CCNCc1csc(n1)C 270004a_100015525214_100000203724 [0,1,0,1,0,0|2,0,0]=4 5208 B10R1.16 CCNCc1csc(n1)C 34a_100000707933_100000210202 [0,1,0,1,0,0|2,0,0]=4 5209 B10R1.16 CCNCc1nc(c[nH]1)C 207a_100015525214_100000082322 [0,1,0,1,0,0|2,0,0]=4 5210 B10R1.16 CCNCc1nc(c[nH]1)C 270004a_100015525214_100000082322 [0,1,0,1,0,0|2,0,0]=4 5211 B10R1.16 CCNCc1nc(cs1)C 207a_100015525214_100000756994 [0,1,0,1,0,0|2,0,0]=4 5212 B10R1.16 CCNCc1nc(cs1)C 2230a_100015183719_100000210202 [0,1,0,1,0,0|2,0,0]=4 5213 B10R1.16 CCNCc1nc(cs1)C 270004a_100015525214_100000756994 [0,1,0,1,0,0|2,0,0]=4 5214 B10R1.16 CCNCc1ncc(o1)C 2230a_100138411809_100000210202 [0,1,0,1,0,0|1,0,1]=4 5215 B10R1.16 CCNCc1ncc(o1)C 34a_100138411809_100000210202 [0,1,0,1,0,0|1,0,1]=4 5216 B10R1.16 CCNCc1ncc(s1)C 207a_100015525214_100011361622 [0,1,0,1,0,0|1,1,0]=4 5217 B10R1.16 CCNCc1ncc(s1)C 270004a_100015525214_100011361622 [0,1,0,1,0,0|1,1,0]=4 5218 B10R1.16 CCOCC1=CC(=O)OC1 34a_100121572206_100000716558 [0,1,0,1,0,0|1,0,0]=3 5219 B10R1.16 CCOCC1CNC(=O)C1 34a_100016041077_100000210202 [0,1,0,1,0,0|1,0,1]=4 5220 B10R1.16 CCOC[C@@H]1C=C[C@@H](C1)N 34a_100020646542_100000210202 [0,1,0,1,0,0|1,0,1]=4 5221 B10R1.16 CCOCc1cc(cs1)C 34a_200000068372_100000210202 [0,1,0,1,0,0|1,1,0]=4 5222 B10R1.16 CCOCc1cc(cs1)C 7a_200000068372_100000210202 [0,1,0,1,0,0|1,1,0]=4 5223 B10R1.16 CCOCc1cc(no1)C 34a_100000684692_100000210202 [0,1,0,1,0,0|1,0,1]=4 5224 B10R1.16 CCOCc1cc(no1)C 34a_100121572206_100000707947 [0,1,0,1,0,0|1,0,1]=4 5225 B10R1.16 CCOCc1cc(on1)C 34a_100011216401_100000210202 [0,1,0,1,0,0|1,0,1]=4 5226 B10R1.16 CCOCc1cc(on1)C 34a_100121572206_100000199038 [0,1,0,1,0,0|1,0,1]=4 5227 B10R1.16 CCOCc1ccc(o1)C 34a_100011232665_100000210202 [0,1,0,1,0,0|0,0,2]=4 5228 B10R1.16 CCOCc1ccc(o1)C 7a_100011232665_100000210202 [0,1,0,1,0,0|0,0,2]=4 5229 B10R1.16 CCOCc1ccc(s1)C 34a_100000238367_100000210202 [0,1,0,1,0,0|0,1,1]=4 5230 B10R1.16 CCOCc1cnc(s1)C 34a_100121572206_100020635045 [0,1,0,1,0,0|1,1,0]=4 5231 B10R1.16 CCOCc1cnc(s1)C 7a_100000743366_100000210202 [0,1,0,1,0,0|1,1,0]=4 5232 B10R1.16 CCOCc1coc(n1)C 34a_100012017233_100000210202 [0,1,0,1,0,0|2,0,0]=4 5233 B10R1.16 CCOCc1csc(n1)C 34a_100000735831_100000210202 [0,1,0,1,0,0|2,0,0]=4 5234 B10R1.16 CCOCc1csc(n1)C 34a_100121572206_100015186478 [0,1,0,1,0,0|2,0,0]=4 5235 B10R1.16 CCSCC1=CC(=O)OC1 62a_100000210202_100000716558 [0,1,0,1,0,0|1,0,0]=3 5236 B10R1.16 CCSCC1=CC(=O)OC1 62a_100000716558_100000210202 [0,1,0,1,0,0|1,0,0]=3 5237 B10R1.16 CCSCc1cc(no1)C 62a_100000210202_100000707947 [0,1,0,1,0,0|1,0,1]=4 5238 B10R1.16 CCSCc1cc(no1)C 62a_100000707947_100000210202 [0,1,0,1,0,0|1,0,1]=4 5239 B10R1.16 CCSCc1cc(on1)C 62a_100000199038_100000210202 [0,1,0,1,0,0|1,0,1]=4 5240 B10R1.16 CCSCc1cc(on1)C 62a_100000210202_100000199038 [0,1,0,1,0,0|1,0,1]=4 5241 B10R1.16 CCSCc1cnc(s1)C 62a_100000210202_100020635045 [0,1,0,1,0,0|1,1,0]=4 5242 B10R1.16 CCSCc1cnc(s1)C 62a_100020635045_100000210202 [0,1,0,1,0,0|1,1,0]=4 5243 B10R1.16 CCSCc1csc(n1)C 62a_100000210202_100015186478 [0,1,0,1,0,0|2,0,0]=4 5244 B10R1.16 CCSCc1csc(n1)C 62a_100015186478_100000210202 [0,1,0,1,0,0|2,0,0]=4 5245 B10R1.16 CNCCc1ccc(o1)C 2230a_100000739271_200000210301 [0,1,0,1,0,0|0,0,2]=4 5246 B10R1.16 CNCCc1ccc(o1)C 34a_100000739271_200000210301 [0,1,0,1,0,0|0,0,2]=4 5247 B10R1.16 CNCCc1csc(n1)C 2230a_102495365028_200000210301 [0,1,0,1,0,0|2,0,0]=4 5248 B10R1.16 CNCCc1csc(n1)C 2230a_106832991635_100000695623 [0,1,0,1,0,0|2,0,0]=4 5249 B10R1.16 CNCCc1csc(n1)C 34a_100102657272_100000695623 [0,1,0,1,0,0|2,0,0]=4 5250 B10R1.16 CNCCc1csc(n1)C 34a_102495365028_200000210301 [0,1,0,1,0,0|2,0,0]=4 5251 B10R1.16 CNCCc1csc(n1)C 7a_106832991635_100000695623 [0,1,0,1,0,0|2,0,0]=4 5252 B10R1.16 CNCCc1nc(cs1)C 2230a_100000736835_200000210301 [0,1,0,1,0,0|2,0,0]=4 5253 B10R1.16 CNCCn1ccc(n1)C 2230a_106832991635_200011934056 [0,1,0,1,0,0|2,0,0]=4 5254 B10R1.16 CNCCn1ccc(n1)C 7a_106832991635_200011934056 [0,1,0,1,0,0|2,0,0]=4 5255 B10R1.16 COCCc1ccc(o1)C 34a_100012161071_200000210301 [0,1,0,1,0,0|0,0,2]=4 5256 B10R1.16 COCCc1ccc(o1)C 7a_100012161071_200000210301 [0,1,0,1,0,0|0,0,2]=4 5257 B10R1.16 COCCc1csc(n1)C 34a_100011934828_200000210301 [0,1,0,1,0,0|2,0,0]=4 5258 B10R1.16 COCCc1csc(n1)C 34a_100138415774_100000695623 [0,1,0,1,0,0|2,0,0]=4 5259 B10R1.16 CSCCc1csc(n1)C 62a_100000695623_200000210301 [0,1,0,1,0,0|2,0,0]=4 5260 B10R1.16 CSCCc1csc(n1)C 62a_200000210301_100000695623 [0,1,0,1,0,0|2,0,0]=4 5261 B10R1.16 CSCCn1ccc(n1)C 62a_200000210301_200011934056 [0,1,0,1,0,0|2,0,0]=4 5262 B10R1.16 CSCCn1ccc(n1)C 62a_200011934056_200000210301 [0,1,0,1,0,0|2,0,0]=4 5263 B10R1.16 Cc1ccc(o1)CCN[13CH3] 2230a_100000739271_200025704644 [0,1,0,1,0,0|0,0,2]=4 5264 B10R1.16 Cc1ccc(o1)CCN[13CH3] 34a_100000739271_200025704644 [0,1,0,1,0,0|0,0,2]=4 5265 B10R1.16 Cc1ccc(o1)CCO[13CH3] 34a_100012161071_200025704644 [0,1,0,1,0,0|0,0,2]=4 5266 B10R1.16 Cc1ccc(o1)CCO[13CH3] 7a_100012161071_200025704644 [0,1,0,1,0,0|0,0,2]=4 5267 B10R1.16 Cc1ccn(n1)CCS[13CH3] 62a_200011934056_200025704644 [0,1,0,1,0,0|2,0,0]=4 5268 B10R1.16 Cc1ccn(n1)CCS[13CH3] 62a_200025704644_200011934056 [0,1,0,1,0,0|2,0,0]=4 5269 B10R1.16 Cc1csc(n1)CCN[13CH3] 2230a_100000736835_200025704644 [0,1,0,1,0,0|2,0,0]=4 5270 B10R1.16 Cc1nc(cs1)CCN[13CH3] 2230a_102495365028_200025704644 [0,1,0,1,0,0|2,0,0]=4 5271 B10R1.16 Cc1nc(cs1)CCN[13CH3] 34a_102495365028_200025704644 [0,1,0,1,0,0|2,0,0]=4 5272 B10R1.16 Cc1nc(cs1)CCO[13CH3] 34a_100011934828_200025704644 [0,1,0,1,0,0|2,0,0]=4 5273 B10R1.16 Cc1nc(cs1)CCS[13CH3] 62a_100000695623_200025704644 [0,1,0,1,0,0|2,0,0]=4 5274 B10R1.16 Cc1nc(cs1)CCS[13CH3] 62a_200025704644_100000695623 [0,1,0,1,0,0|2,0,0]=4 5275 B10R1.16 O=C1C=C(CO1)CSCF 62a_100000716558_100015361967 [0,1,0,1,0,0|2,0,0]=4 5276 B10R1.16 O=C1C=C(CO1)CSCF 62a_100015361967_100000716558 [0,1,0,1,0,0|2,0,0]=4 5277 B10R1.18 CC(=O)C=C1CCCCC1 1458a_100000743792_200000210301 [0,1,0,1,0,0|0,0,0]=2 5278 B10R1.18 CC(=O)C=C1CCOCC1 1458a_100000761426_200000210301 [0,1,0,1,0,0|0,0,0]=2 5279 B10R1.18 CC(=O)CC1=CCCCC1 1458a_100000039269_200000210301 [0,1,0,1,0,0|0,0,0]=2 5280 B10R1.18 CC(=O)CC1CCCCC1 1458a_100000070787_100000211423 [0,1,0,1,0,0|0,0,2]=4 5281 B10R1.18 CC(=O)CC1CCCCC1 1458a_100000211666_200000210301 [0,1,0,1,0,0|0,0,2]=4 5282 B10R1.18 CC(=O)CC1CCCCO1 1458a_100000070787_100000211543 [0,1,0,1,0,0|0,0,2]=4 5283 B10R1.18 CC(=O)CC1CCCCO1 1458a_100000238585_200000210301 [0,1,0,1,0,0|0,0,2]=4 5284 B10R1.18 CC(=O)CC1CCCOC1 1458a_100000070787_100000741521 [0,1,0,1,0,0|0,0,2]=4 5285 B10R1.18 CC(=O)CC1CCCOC1 1458a_100000741523_200000210301 [0,1,0,1,0,0|0,0,2]=4 5286 B10R1.18 CC(=O)CC1CCOCC1 1458a_100000070787_100000754603 [0,1,0,1,0,0|0,0,2]=4 5287 B10R1.18 CC(=O)CC1CCOCC1 1458a_100000757261_200000210301 [0,1,0,1,0,0|0,0,2]=4 5288 B10R1.18 CC(=O)CN1CCCCC1 1458a_100000740322_200000210301 [0,1,0,1,0,0|0,0,2]=4 5289 B10R1.18 CC(=O)CN1CCOCC1 1458a_100000740321_200000210301 [0,1,0,1,0,0|1,0,1]=4 5290 B10R1.18 CC(=O)NC1CCCCC1 11a_100000182618_100015343762 [0,1,0,1,0,0|0,0,2]=4 5291 B10R1.18 CC(=O)NC1CCCCC1 1626a_100000182618_100015343762 [0,1,0,1,0,0|0,0,2]=4 5292 B10R1.18 CC(=O)NC1CCCCC1 240690a_100000182618_100015343762 [0,1,0,1,0,0|0,0,2]=4 5293 B10R1.18 CC(=O)NC1CCCCC1 527a_100000182618_100103153847 [0,1,0,1,0,0|0,0,2]=4 5294 B10R1.18 CC(=O)NC1CCCOC1 11a_100000719290_100015343762 [0,1,0,1,0,0|1,0,1]=4 5295 B10R1.18 CC(=O)NC1CCCOC1 1626a_100000719290_100015343762 [0,1,0,1,0,0|1,0,1]=4 5296 B10R1.18 CC(=O)NC1CCCOC1 240690a_100000719290_100015343762 [0,1,0,1,0,0|1,0,1]=4 5297 B10R1.18 CC(=O)NC1CCCOC1 527a_100000719290_100103153847 [0,1,0,1,0,0|1,0,1]=4 5298 B10R1.18 CC(=O)NC1CCOCC1 11a_100000741149_100015343762 [0,1,0,1,0,0|1,0,1]=4 5299 B10R1.18 CC(=O)NC1CCOCC1 1626a_100000741149_100015343762 [0,1,0,1,0,0|1,0,1]=4 5300 B10R1.18 CC(=O)NC1CCOCC1 240690a_100000741149_100015343762 [0,1,0,1,0,0|1,0,1]=4 5301 B10R1.18 CC(=O)NC1CCOCC1 527a_100000741149_100103153847 [0,1,0,1,0,0|1,0,1]=4 5302 B10R1.18 CC(=O)NC1CCSCC1 11a_100000748639_100015343762 [0,1,0,1,0,0|1,0,1]=4 5303 B10R1.18 CC(=O)NC1CCSCC1 1626a_100000748639_100015343762 [0,1,0,1,0,0|1,0,1]=4 5304 B10R1.18 CC(=O)NC1CCSCC1 240690a_100000748639_100015343762 [0,1,0,1,0,0|1,0,1]=4 5305 B10R1.18 CC(=O)NC1CCSCC1 527a_100000748639_100103153847 [0,1,0,1,0,0|1,0,1]=4 5306 B10R1.18 [13CH3]C(=O)C=C1CCCCC1 1458a_100000743792_200025704644 [0,1,0,1,0,0|0,0,0]=2 5307 B10R1.18 [13CH3]C(=O)C=C1CCOCC1 1458a_100000761426_200025704644 [0,1,0,1,0,0|0,0,0]=2 5308 B10R1.18 [13CH3]C(=O)CC1=CCCCC1 1458a_100000039269_200025704644 [0,1,0,1,0,0|0,0,0]=2 5309 B10R1.18 [13CH3]C(=O)CC1CCCCC1 1458a_100000211666_200025704644 [0,1,0,1,0,0|0,0,2]=4 5310 B10R1.18 [13CH3]C(=O)CC1CCCCO1 1458a_100000238585_200025704644 [0,1,0,1,0,0|0,0,2]=4 5311 B10R1.18 [13CH3]C(=O)CC1CCCOC1 1458a_100000741523_200025704644 [0,1,0,1,0,0|0,0,2]=4 5312 B10R1.18 [13CH3]C(=O)CC1CCOCC1 1458a_100000757261_200025704644 [0,1,0,1,0,0|0,0,2]=4 5313 B10R1.18 [13CH3]C(=O)CN1CCCCC1 1458a_100000740322_200025704644 [0,1,0,1,0,0|0,0,2]=4 5314 B10R1.18 [13CH3]C(=O)CN1CCOCC1 1458a_100000740321_200025704644 [0,1,0,1,0,0|1,0,1]=4 5315 B10R1.24 CCCCSC1CC(=O)C1 62a_100009894365_100000210210 [0,1,0,1,0,0|0,0,2]=4 5316 B10R1.24 CCCOCC1CC(=O)C1 34a_100000101936_100000210303 [0,1,0,1,0,0|0,0,2]=4 5317 B10R1.24 CCCSCC1CC(=O)C1 62a_100000210303_100009874392 [0,1,0,1,0,0|0,0,2]=4 5318 B10R1.24 CCCSCC1CC(=O)C1 62a_100009874392_100000210303 [0,1,0,1,0,0|0,0,2]=4 5319 B10R1.39 CC(=O)N1CCC[C@@H]1CO 240690a_100000745186_100015343762 [0,1,0,1,0,0|1,0,1]=4 5320 B10R1.39 CC(=O)N1CCC[C@@H]1CO 527a_100000745186_100103153847 [0,1,0,1,0,0|1,0,1]=4 5321 B10R1.39 CCC1C=CCN1C(=O)C 11a_100000730860_100015343762 [0,1,0,1,0,0|0,0,2]=4 5322 B10R1.39 CCC1C=CCN1C(=O)C 1626a_100000730860_100015343762 [0,1,0,1,0,0|0,0,2]=4 5323 B10R1.39 CCC1C=CCN1C(=O)C 240690a_100000730860_100015343762 [0,1,0,1,0,0|0,0,2]=4 5324 B10R1.39 CCC1C=CCN1C(=O)C 527a_100000730860_100103153847 [0,1,0,1,0,0|0,0,2]=4 5325 B10R1.39 CCC1CCCN1C(=O)C 11a_100000754278_100015343762 [0,1,0,1,0,0|0,0,2]=4 5326 B10R1.39 CCC1CCCN1C(=O)C 1626a_100000754278_100015343762 [0,1,0,1,0,0|0,0,2]=4 5327 B10R1.39 CCC1CCCN1C(=O)C 240690a_100000754278_100015343762 [0,1,0,1,0,0|0,0,2]=4 5328 B10R1.39 CCC1CCCN1C(=O)C 527a_100000754278_100103153847 [0,1,0,1,0,0|0,0,2]=4 5329 B10R1.39 CCN1CC=C[C@H]1C(=O)O 269956a_100000057196_100000210202 [0,1,0,1,0,0|2,0,0]=4 5330 B10R1.39 CCN1CCCC1C(=O)C 1458a_106256033941_200000210301 [0,1,0,1,0,0|0,0,2]=4 5331 B10R1.39 CCN1CCCC1C(=O)[13CH3] 1458a_106256033941_200025704644 [0,1,0,1,0,0|0,0,2]=4 5332 B10R1.61 CC(=O)C1=C(OCCO1)C 1458a_100000068647_200000210301 [0,1,0,1,0,0|1,0,1]=4 5333 B10R1.61 CC(=O)C1CCCCC1=O 1458a_100000070787_100000204591 [0,1,0,1,0,0|0,0,1]=3 5334 B10R1.61 CC(=O)C1CCCCC1C 1458a_100011215568_200000210301 [0,1,0,1,0,0|0,0,2]=4 5335 B10R1.61 CC(=O)C1CCCCC1O 1458a_100011803323_200000210301 [0,1,0,1,0,0|0,0,2]=4 5336 B10R1.61 CC(=O)C1CCCNC1=O 1458a_100000070787_100000687798 [0,1,0,1,0,0|1,0,1]=4 5337 B10R1.61 CC(=O)C1CCCNC1=O 1458a_100000087122_200000210301 [0,1,0,1,0,0|1,0,1]=4 5338 B10R1.61 CC(=O)C1COCCC1=O 1458a_100000070787_100012180262 [0,1,0,1,0,0|1,0,1]=4 5339 B10R1.61 CC(=O)N1CCCCC1C 11a_100000211376_100015343762 [0,1,0,1,0,0|0,0,2]=4 5340 B10R1.61 CC(=O)N1CCCCC1C 1626a_100000211376_100015343762 [0,1,0,1,0,0|0,0,2]=4 5341 B10R1.61 CC(=O)N1CCCCC1C 240690a_100000211376_100015343762 [0,1,0,1,0,0|0,0,2]=4 5342 B10R1.61 CC(=O)N1CCCCC1C 527a_100000211376_100103153847 [0,1,0,1,0,0|0,0,2]=4 5343 B10R1.61 CC(=O)N1CCOC[C@@H]1C 11a_100009815349_100015343762 [0,1,0,1,0,0|1,0,1]=4 5344 B10R1.61 CC(=O)N1CCOC[C@@H]1C 240690a_100009815349_100015343762 [0,1,0,1,0,0|1,0,1]=4 5345 B10R1.61 CC(=O)N1CCOC[C@@H]1C 527a_100009815349_100103153847 [0,1,0,1,0,0|1,0,1]=4 5346 B10R1.61 CC(=O)[C@H]1CCCCN1C 1458a_100000767060_200000210301 [0,1,0,1,0,0|0,0,2]=4 5347 B10R1.61 CC1=C(OCCO1)C(=O)[13CH3] 1458a_100000068647_200025704644 [0,1,0,1,0,0|1,0,1]=4 5348 B10R1.61 CC1CCCCC1C(=O)[13CH3] 1458a_100011215568_200025704644 [0,1,0,1,0,0|0,0,2]=4 5349 B10R1.61 CN1CCCC[C@@H]1C(=O)[13CH3] 1458a_100000767060_200025704644 [0,1,0,1,0,0|0,0,2]=4 5350 B10R1.61 [13CH3]C(=O)C1CCCCC1O 1458a_100011803323_200025704644 [0,1,0,1,0,0|0,0,2]=4 5351 B10R1.61 [13CH3]C(=O)C1CCCNC1=O 1458a_100000087122_200025704644 [0,1,0,1,0,0|1,0,1]=4 5352 B10R1.64 CC(=O)N[C@H]1CCC[C@@H]1O 11a_100000748460_100015343762 [0,1,0,1,0,0|1,0,1]=4 5353 B10R1.64 CC(=O)N[C@H]1CCC[C@@H]1O 240690a_100000748460_100015343762 [0,1,0,1,0,0|1,0,1]=4 5354 B10R1.66 CC(=CCN1CCCC1)C 2230a_100000188435_100000761012 [0,1,0,1,0,0|1,0,1]=4 5355 B10R1.66 CC(=CCN1CCCC1)C 269982a_100000188435_100000761012 [0,1,0,1,0,0|1,0,1]=4 5356 B10R1.66 CC(=O)C=CC1=CCCC1 1458a_100016262312_200000210301 [0,1,0,1,0,0|0,0,1]=3 5357 B10R1.66 CC(=O)CCC1CCCC1 1458a_100000070787_100000760354 [0,1,0,1,0,0|0,0,2]=4 5358 B10R1.66 CC(=O)CCC1CCCC1 1458a_100000211120_200000210301 [0,1,0,1,0,0|0,0,2]=4 5359 B10R1.66 CC(=O)CCC1CCCO1 1458a_100011247709_200000210301 [0,1,0,1,0,0|0,0,2]=4 5360 B10R1.66 CC(=O)CCN1CCCC1 1458a_100000070787_100000004467 [0,1,0,1,0,0|0,0,2]=4 5361 B10R1.66 CC(=O)CCN1CCCC1 1458a_100000738983_200000210301 [0,1,0,1,0,0|0,0,2]=4 5362 B10R1.66 CC(=O)CCN1CCCC1 269982a_100000188435_100000053229 [0,1,0,1,0,0|0,0,2]=4 5363 B10R1.66 CC(=O)CNC1=NCCC1 1458a_100000118783_200000210301 [0,1,0,1,0,0|1,0,1]=4 5364 B10R1.66 CC(=O)COC1CCCC1 1458a_100000741352_200000210301 [0,1,0,1,0,0|0,0,2]=4 5365 B10R1.66 CC(=O)COC1CCCC1 34a_100000211253_100000179811 [0,1,0,1,0,0|0,0,2]=4 5366 B10R1.66 CC(=O)COC1CCOC1 34a_100000211253_100000690089 [0,1,0,1,0,0|1,0,1]=4 5367 B10R1.66 CC(=O)NCC1CCCC1 11a_100000737975_100015343762 [0,1,0,1,0,0|0,0,2]=4 5368 B10R1.66 CC(=O)NCC1CCCC1 1626a_100000737975_100015343762 [0,1,0,1,0,0|0,0,2]=4 5369 B10R1.66 CC(=O)NCC1CCCC1 240690a_100000737975_100015343762 [0,1,0,1,0,0|0,0,2]=4 5370 B10R1.66 CC(=O)NCC1CCCC1 527a_100000737975_100103153847 [0,1,0,1,0,0|0,0,2]=4 5371 B10R1.66 CC(=O)NCC1CCOC1 11a_100000737293_100015343762 [0,1,0,1,0,0|1,0,1]=4 5372 B10R1.66 CC(=O)NCC1CCOC1 1626a_100000737293_100015343762 [0,1,0,1,0,0|1,0,1]=4 5373 B10R1.66 CC(=O)NCC1CCOC1 240690a_100000737293_100015343762 [0,1,0,1,0,0|1,0,1]=4 5374 B10R1.66 CC(=O)NCC1CCOC1 527a_100000737293_100103153847 [0,1,0,1,0,0|1,0,1]=4 5375 B10R1.66 CC(=O)NC[C@@H]1CCCO1 11a_100020590478_100015343762 [0,1,0,1,0,0|1,0,1]=4 5376 B10R1.66 CC(=O)NC[C@@H]1CCCO1 1626a_100020590478_100015343762 [0,1,0,1,0,0|1,0,1]=4 5377 B10R1.66 CC(=O)NC[C@@H]1CCCO1 240690a_100020590478_100015343762 [0,1,0,1,0,0|1,0,1]=4 5378 B10R1.66 CC(=O)NC[C@@H]1CCCO1 527a_100020590478_100103153847 [0,1,0,1,0,0|1,0,1]=4 5379 B10R1.66 CC(=O)NN=C1CCCC1 4a_100000189765_100000210133 [0,1,0,1,0,0|1,0,0]=3 5380 B10R1.66 CC(=O)NN=C1CCOC1 4a_100000189765_100000752484 [0,1,0,1,0,0|2,0,0]=4 5381 B10R1.66 CC(=O)NN=C1CCSC1 4a_100000189765_100000212027 [0,1,0,1,0,0|2,0,0]=4 5382 B10R1.66 CC(=O)NNC1CCCC1 22a_100000737850_100000070787 [0,1,0,1,0,0|1,0,1]=4 5383 B10R1.66 CC(=O)NNC1CCOC1 22a_100000690549_100000070787 [0,1,0,1,0,0|2,0,0]=4 5384 B10R1.66 CC(=O)NNC1CCSC1 22a_200000731317_100000070787 [0,1,0,1,0,0|2,0,0]=4 5385 B10R1.66 CC(=O)OCN1CCCC1 269982a_100000188435_100000076356 [0,1,0,1,0,0|1,0,1]=4 5386 B10R1.66 [13CH3]C(=O)C=CC1=CCCC1 1458a_100016262312_200025704644 [0,1,0,1,0,0|0,0,1]=3 5387 B10R1.66 [13CH3]C(=O)CCC1CCCC1 1458a_100000211120_200025704644 [0,1,0,1,0,0|0,0,2]=4 5388 B10R1.66 [13CH3]C(=O)CCC1CCCO1 1458a_100011247709_200025704644 [0,1,0,1,0,0|0,0,2]=4 5389 B10R1.66 [13CH3]C(=O)CCN1CCCC1 1458a_100000738983_200025704644 [0,1,0,1,0,0|0,0,2]=4 5390 B10R1.66 [13CH3]C(=O)CNC1=NCCC1 1458a_100000118783_200025704644 [0,1,0,1,0,0|1,0,1]=4 5391 B10R1.66 [13CH3]C(=O)COC1CCCC1 1458a_100000741352_200025704644 [0,1,0,1,0,0|0,0,2]=4 5392 B10R1.86 COCC1CCN1C(=O)C 11a_100015195929_100015343762 [0,1,0,1,0,0|1,0,1]=4 5393 B10R1.86 COCC1CCN1C(=O)C 1626a_100015195929_100015343762 [0,1,0,1,0,0|1,0,1]=4 5394 B10R1.86 COCC1CCN1C(=O)C 240690a_100015195929_100015343762 [0,1,0,1,0,0|1,0,1]=4 5395 B10R1.86 COCC1CCN1C(=O)C 527a_100015195929_100103153847 [0,1,0,1,0,0|1,0,1]=4 5396 B10R1.126 C=C(C)C=NNCC1CC1 4a_100000736359_100000210575 [0,1,0,1,0,0|2,0,0]=4 5397 B10R1.126 CC(=CC=NNC1CC1)C 4a_100000701032_100011215525 [0,1,0,1,0,0|2,0,0]=4 5398 B10R1.126 CC(=CCCNC1CC1)C 34a_100000212008_100011217483 [0,1,0,1,0,0|1,0,1]=4 5399 B10R1.126 CC(=CCCSC1CC1)C 62a_100011217483_100000211595 [0,1,0,1,0,0|1,0,1]=4 5400 B10R1.126 CC(=CCNCC1CC1)C 2230a_100000735609_100000761012 [0,1,0,1,0,0|1,0,1]=4 5401 B10R1.126 CC(=CCNCC1CC1)C 34a_100000718196_100000742324 [0,1,0,1,0,0|1,0,1]=4 5402 B10R1.126 CC(=CCNCC1CC1)C 34a_100000735609_100000761012 [0,1,0,1,0,0|1,0,1]=4 5403 B10R1.126 CC(=CCOCC1CC1)C 34a_100000211283_100000761012 [0,1,0,1,0,0|1,0,1]=4 5404 B10R1.126 CC(=CCOCC1CC1)C 34a_100000753907_100000742324 [0,1,0,1,0,0|1,0,1]=4 5405 B10R1.126 CC(=CCSCC1CC1)C 62a_100000756562_100000761012 [0,1,0,1,0,0|1,0,1]=4 5406 B10R1.126 CC(=CCSCC1CC1)C 62a_100000761012_100000742324 [0,1,0,1,0,0|1,0,1]=4 5407 B10R1.126 CC(=O)CCCNC1CC1 34a_100000212008_100000685027 [0,1,0,1,0,0|0,0,2]=4 5408 B10R1.126 CC(=O)CCCOC1CC1 34a_100000759063_100000211595 [0,1,0,1,0,0|0,0,2]=4 5409 B10R1.126 CC(=O)CCCSC1CC1 62a_100011215641_100000211595 [0,1,0,1,0,0|0,0,2]=4 5410 B10R1.126 CC(=O)CCOCC1CC1 34a_100000759926_100000742324 [0,1,0,1,0,0|0,0,2]=4 5411 B10R1.126 CC(=O)CCOCC1CC1 7a_100000759926_100000742324 [0,1,0,1,0,0|0,0,2]=4 5412 B10R1.126 CC(=O)CCSCC1CC1 62a_100000053229_100000742324 [0,1,0,1,0,0|0,0,2]=4 5413 B10R1.126 CC(=O)CCSCC1CC1 62a_100000756562_100000053229 [0,1,0,1,0,0|0,0,2]=4 5414 B10R1.126 CC(=O)COCCC1CC1 34a_100000211253_100000694398 [0,1,0,1,0,0|0,0,2]=4 5415 B10R1.126 CC(=O)COCCC1CO1 34a_100000211253_100000732470 [0,1,0,1,0,0|1,0,1]=4 5416 B10R1.126 CC(=O)NCCOC1CC1 34a_100000158858_100000211595 [0,1,0,1,0,0|1,0,1]=4 5417 B10R1.126 CC(=O)NCCSC1CC1 62a_100000189650_100000211595 [0,1,0,1,0,0|1,0,1]=4 5418 B10R1.126 CC(=O)OCCNC1CC1 34a_100000212008_100009814007 [0,1,0,1,0,0|1,0,1]=4 5419 B10R1.126 CC(=O)OCCSC1CC1 62a_100009814007_100000211595 [0,1,0,1,0,0|1,0,1]=4 5420 B10R1.126 CC(=O)OCNCC1CC1 34a_100000735609_100009813279 [0,1,0,1,0,0|1,0,1]=4 5421 B10R1.126 CC(=O)OCOCC1CC1 34a_100000211283_100009813279 [0,1,0,1,0,0|1,0,1]=4 5422 B10R1.126 CC(=O)OCSCC1CC1 62a_100000076356_100000742324 [0,1,0,1,0,0|1,0,1]=4 5423 B10R1.126 CC(=O)OCSCC1CC1 62a_100000756562_100000076356 [0,1,0,1,0,0|1,0,1]=4 5424 B10R1.162 CCN1CCCNC(=O)C1 2230a_100015190381_100000210202 [0,1,0,1,0,0|1,0,1]=4 5425 B10R1.348 CC(=O)C1CCCCCC1 1458a_100000070787_100011217769 [0,1,0,1,0,0|0,0,2]=4 5426 B10R1.348 CC(=O)C1CCCCCC1 1458a_100000749507_200000210301 [0,1,0,1,0,0|0,0,2]=4 5427 B10R1.348 CC(=O)N1CCCCCC1 11a_100000185865_100015343762 [0,1,0,1,0,0|0,0,2]=4 5428 B10R1.348 CC(=O)N1CCCCCC1 1626a_100000185865_100015343762 [0,1,0,1,0,0|0,0,2]=4 5429 B10R1.348 CC(=O)N1CCCCCC1 240690a_100000185865_100015343762 [0,1,0,1,0,0|0,0,2]=4 5430 B10R1.348 CC(=O)N1CCCCCC1 527a_100000185865_100103153847 [0,1,0,1,0,0|0,0,2]=4 5431 B10R1.348 CC(=O)N1CCCOCC1 11a_100000685342_100015343762 [0,1,0,1,0,0|1,0,1]=4 5432 B10R1.348 CC(=O)N1CCCOCC1 1626a_100000685342_100015343762 [0,1,0,1,0,0|1,0,1]=4 5433 B10R1.348 CC(=O)N1CCCOCC1 240690a_100000685342_100015343762 [0,1,0,1,0,0|1,0,1]=4 5434 B10R1.348 CC(=O)N1CCCOCC1 527a_100000685342_100103153847 [0,1,0,1,0,0|1,0,1]=4 5435 B10R1.348 [13CH3]C(=O)C1CCCCCC1 1458a_100000749507_200025704644 [0,1,0,1,0,0|0,0,2]=4 5436 B10R1.110 C=C(C)CC(=O)C1CC1C 1458a_100000211227_100000748629 [0,1,0,1,0,0|1,0,1]=4 5437 B10R1.110 CC1CC1C(=O)CC(=O)N 1458a_100000211227_100000187820 [0,1,0,1,0,0|1,0,1]=4 5438 B10R1.110 CC1CC1C(=O)CC(=O)[O-] 1458a_100000211227_100020667443 [0,1,0,1,0,0|1,0,1]=4 5439 B10R1.130 CCNC1CC(=O)NC1=O 2230a_100102712934_100000210202 [0,1,0,1,0,0|2,0,0]=4 5440 B10R1.192 CC(=O)N1C(CCC1C)C 11a_100000687148_100015343762 [0,1,0,1,0,0|1,0,1]=4 5441 B10R1.192 CC(=O)N1C(CCC1C)C 240690a_100000687148_100015343762 [0,1,0,1,0,0|1,0,1]=4 5442 B10R1.192 CC(=O)N1C(CCC1C)C 527a_100000687148_100103153847 [0,1,0,1,0,0|1,0,1]=4 5443 B10R1.266 C=C(C)CC(=O)C1CCC1 1458a_100000209988_100000748629 [0,1,0,1,0,0|1,0,1]=4 5444 B10R1.266 CC(=CC(=O)C1CCC1)C 1458a_100000211388_100000749161 [0,1,0,1,0,0|1,0,0]=3 5445 B10R1.266 CC(=CC(=O)C1CCC1)Cl 1458a_200042562850_100000749161 [0,1,0,1,0,0|1,0,0]=3 5446 B10R1.266 CC(=CC(=O)C1CCC1)I 1458a_100025716642_100000749161 [0,1,0,1,0,0|1,0,0]=3 5447 B10R1.266 CC(=CC(=O)C1COC1)C 1458a_100000211388_100000687716 [0,1,0,1,0,0|2,0,0]=4 5448 B10R1.266 CC(=CC(=O)C1COC1)Cl 1458a_200042562850_100000687716 [0,1,0,1,0,0|2,0,0]=4 5449 B10R1.266 CC(=CC(=O)C1COC1)I 1458a_100025716642_100000687716 [0,1,0,1,0,0|2,0,0]=4 5450 B10R1.266 CC(=CC(=O)N1CCC1)C 11a_100000754969_100000211388 [0,1,0,1,0,0|2,0,0]=4 5451 B10R1.266 CC(=CC(=O)N1CCC1)C 240690a_100000754969_100000211388 [0,1,0,1,0,0|2,0,0]=4 5452 B10R1.266 CC(=CC(=O)N1CCC1)Cl 11a_100000754969_200042562850 [0,1,0,1,0,0|2,0,0]=4 5453 B10R1.266 CC(=CC(=O)N1CCC1)Cl 240690a_100000754969_200042562850 [0,1,0,1,0,0|2,0,0]=4 5454 B10R1.266 CC(=CC(=O)N1CCC1)I 11a_100000754969_100025716642 [0,1,0,1,0,0|2,0,0]=4 5455 B10R1.266 CC(=O)CC(=O)C1CCC1 1458a_100000070787_100000686122 [0,1,0,1,0,0|0,0,1]=3 5456 B10R1.266 CC(=O)CC(=O)N1CCC1 1458a_100000070787_100000185095 [0,1,0,1,0,0|1,0,1]=4 5457 B10R1.266 CC(=O)NC(C)C1CCC1 11a_100016994624_100015343762 [0,1,0,1,0,0|1,0,1]=4 5458 B10R1.266 CC(=O)NC(C)C1CCC1 1626a_100016994624_100015343762 [0,1,0,1,0,0|1,0,1]=4 5459 B10R1.266 CC(=O)NC(C)C1CCC1 240690a_100016994624_100015343762 [0,1,0,1,0,0|1,0,1]=4 5460 B10R1.266 CC(=O)NC(C)C1CCC1 527a_100016994624_100103153847 [0,1,0,1,0,0|1,0,1]=4 5461 B10R1.266 NC(=O)CC(=O)C1CCC1 1458a_100000209988_100000187820 [0,1,0,1,0,0|1,0,1]=4 5462 B10R1.266 NC(=O)CC(=O)C1CCC1 1458a_100134613110_100000749161 [0,1,0,1,0,0|1,0,1]=4 5463 B10R1.266 O=C(C=C(Cl)Cl)C1CCC1 1458a_100000137448_100000749161 [0,1,0,1,0,0|2,0,0]=4 5464 B10R1.266 O=C([O-])CC(=O)C1CCC1 1458a_100000209988_100020667443 [0,1,0,1,0,0|1,0,1]=4 5465 B10R1.268 C=C(C)CC(=O)CC1CC1 1458a_100000738066_100000748629 [0,1,0,1,0,0|1,0,1]=4 5466 B10R1.268 CC(=CC(=O)CC1CC1)C 1458a_100000211388_100000742324 [0,1,0,1,0,0|1,0,0]=3 5467 B10R1.268 CC(=CC(=O)CC1CC1)Cl 1458a_200042562850_100000742324 [0,1,0,1,0,0|1,0,0]=3 5468 B10R1.268 CC(=CC(=O)CC1CC1)I 1458a_100025716642_100000742324 [0,1,0,1,0,0|1,0,0]=3 5469 B10R1.268 CC(=CC(=O)CC1CO1)C 1458a_100000211388_100011216344 [0,1,0,1,0,0|2,0,0]=4 5470 B10R1.268 CC(=CC(=O)CC1CO1)Cl 1458a_200042562850_100011216344 [0,1,0,1,0,0|2,0,0]=4 5471 B10R1.268 CC(=CC(=O)CC1CO1)I 1458a_100025716642_100011216344 [0,1,0,1,0,0|2,0,0]=4 5472 B10R1.268 CC(=CC(=O)CC1CS1)C 1458a_100000211388_100000031435 [0,1,0,1,0,0|2,0,0]=4 5473 B10R1.268 CC(=CC(=O)CC1CS1)Cl 1458a_200042562850_100000031435 [0,1,0,1,0,0|2,0,0]=4 5474 B10R1.268 CC(=CC(=O)CC1CS1)I 1458a_100025716642_100000031435 [0,1,0,1,0,0|2,0,0]=4 5475 B10R1.268 CC(=CC(=O)C[C@@H]1CO1)C 1458a_100000211388_100000745022 [0,1,0,1,0,0|2,0,0]=4 5476 B10R1.268 CC(=CC(=O)C[C@@H]1CO1)Cl 1458a_200042562850_100000745022 [0,1,0,1,0,0|2,0,0]=4 5477 B10R1.268 CC(=CC(=O)C[C@@H]1CO1)I 1458a_100025716642_100000745022 [0,1,0,1,0,0|2,0,0]=4 5478 B10R1.268 CC(=CC(=O)NC1CC1)C 1626a_100000212008_100000211388 [0,1,0,1,0,0|2,0,0]=4 5479 B10R1.268 CC(=CC(=O)NC1CC1)C 240690a_100000212008_100000211388 [0,1,0,1,0,0|2,0,0]=4 5480 B10R1.268 CC(=CC(=O)NC1CC1)Cl 1626a_100000212008_200042562850 [0,1,0,1,0,0|2,0,0]=4 5481 B10R1.268 CC(=CC(=O)NC1CC1)Cl 240690a_100000212008_200042562850 [0,1,0,1,0,0|2,0,0]=4 5482 B10R1.268 CC(=CC(=O)NC1CC1)I 1626a_100000212008_100025716642 [0,1,0,1,0,0|2,0,0]=4 5483 B10R1.268 CC(=O)CC(=O)NC1CC1 1458a_100000070787_100000182950 [0,1,0,1,0,0|1,0,1]=4 5484 B10R1.268 CC(=O)CS(=O)CC1CC1 1458a_100011387478_200000210301 [0,1,0,1,0,0|1,0,1]=4 5485 B10R1.268 NC(=O)CC(=O)CC1CC1 1458a_100000738066_100000187820 [0,1,0,1,0,0|1,0,1]=4 5486 B10R1.268 NC(=O)CC(=O)CC1CC1 1458a_100134613110_100000742324 [0,1,0,1,0,0|1,0,1]=4 5487 B10R1.268 O=C(C=C(Cl)Cl)CC1CC1 1458a_100000137448_100000742324 [0,1,0,1,0,0|2,0,0]=4 5488 B10R1.268 O=C([O-])CC(=O)CC1CC1 1458a_100000738066_100020667443 [0,1,0,1,0,0|1,0,1]=4 5489 B10R1.268 [13CH3]C(=O)CS(=O)CC1CC1 1458a_100011387478_200025704644 [0,1,0,1,0,0|1,0,1]=4 5490 B10R1.95 CCNC1C=CS(=O)(=O)C1 2230a_100000687631_100000210202 [0,1,0,1,0,0|2,0,0]=4 5491 B10R1.95 CCNC1C=CS(=O)(=O)C1 2230a_100015525214_100000702656 [0,1,0,1,0,0|2,0,0]=4 5492 B10R1.95 CCNC1C=CS(=O)(=O)C1 34a_100000687631_100000210202 [0,1,0,1,0,0|2,0,0]=4 5493 B10R1.95 CCOC1C=CS(=O)(=O)C1 34a_100000012158_100000210202 [0,1,0,1,0,0|2,0,0]=4 5494 B10R1.95 CCSC1C=CS(=O)(=O)C1 62a_100000210202_100000011004 [0,1,0,1,0,0|2,0,0]=4 5495 B10R1.95 CCSC1C=CS(=O)(=O)C1 62a_100000702656_100000210202 [0,1,0,1,0,0|2,0,0]=4 5496 B10R1.15 CC(N[13CH3])C1=CCCCC1 2230a_200015185932_200025704644 [0,1,0,1,0,0|1,0,1]=4 5497 B10R1.15 CC(N[13CH3])C1=CCCCC1 34a_200015185932_200025704644 [0,1,0,1,0,0|1,0,1]=4 5498 B10R1.15 CCC(=O)C1=CCCCC1 1458a_100000765259_100000210202 [0,1,0,1,0,0|0,0,0]=2 5499 B10R1.15 CCC(=O)C1=CCCCO1 1458a_100000764163_100000210202 [0,1,0,1,0,0|1,0,0]=3 5500 B10R1.15 CCC(=O)C1=COCCC1 1458a_100000749935_100000210202 [0,1,0,1,0,0|1,0,0]=3 5501 B10R1.15 CCC(=O)C1=COCCO1 1458a_100000008702_100000210202 [0,1,0,1,0,0|2,0,0]=4 5502 B10R1.15 CCC(=O)C1C=CCCC1 1458a_100000210414_100000751183 [0,1,0,1,0,0|0,0,2]=4 5503 B10R1.15 CCC(=O)C1CCCCC1 1458a_100000210414_100000210327 [0,1,0,1,0,0|0,0,2]=4 5504 B10R1.15 CCC(=O)C1CCCCC1 1458a_100000210647_100000210202 [0,1,0,1,0,0|0,0,2]=4 5505 B10R1.15 CCC(=O)C1CCCCO1 1458a_100000748299_100000210202 [0,1,0,1,0,0|1,0,1]=4 5506 B10R1.15 CNC(=O)C1=CCCCC1 11a_106832991635_100000765259 [0,1,0,1,0,0|0,0,0]=2 5507 B10R1.15 CNC(=O)C1=CCCCC1 1626a_100102657272_100000765259 [0,1,0,1,0,0|0,0,0]=2 5508 B10R1.15 CNC(=O)C1=CCCCC1 240690a_100102657272_100000765259 [0,1,0,1,0,0|0,0,0]=2 5509 B10R1.15 CNC(=O)C1=CCCCC1 527a_100102657272_100000765259 [0,1,0,1,0,0|0,0,0]=2 5510 B10R1.15 CNC(=O)C1=CCCCO1 11a_106832991635_100000764163 [0,1,0,1,0,0|1,0,0]=3 5511 B10R1.15 CNC(=O)C1=CCCCO1 1626a_100102657272_100000764163 [0,1,0,1,0,0|1,0,0]=3 5512 B10R1.15 CNC(=O)C1=CCCCO1 240690a_100102657272_100000764163 [0,1,0,1,0,0|1,0,0]=3 5513 B10R1.15 CNC(=O)C1=CCCCO1 527a_100102657272_100000764163 [0,1,0,1,0,0|1,0,0]=3 5514 B10R1.15 CNC(=O)C1=COCCC1 1626a_100102657272_100000749935 [0,1,0,1,0,0|1,0,0]=3 5515 B10R1.15 CNC(=O)C1=COCCC1 527a_100102657272_100000749935 [0,1,0,1,0,0|1,0,0]=3 5516 B10R1.15 CNC(=O)C1=COCCO1 11a_106832991635_100000008702 [0,1,0,1,0,0|2,0,0]=4 5517 B10R1.15 CNC(=O)C1=COCCO1 1626a_100102657272_100000008702 [0,1,0,1,0,0|2,0,0]=4 5518 B10R1.15 CNC(=O)C1=COCCO1 240690a_100102657272_100000008702 [0,1,0,1,0,0|2,0,0]=4 5519 B10R1.15 CNC(=O)C1=COCCO1 527a_100102657272_100000008702 [0,1,0,1,0,0|2,0,0]=4 5520 B10R1.15 CNC(=O)C1CCCCC1 11a_106832991635_100000210647 [0,1,0,1,0,0|0,0,2]=4 5521 B10R1.15 CNC(=O)C1CCCCC1 1626a_100102657272_100000210647 [0,1,0,1,0,0|0,0,2]=4 5522 B10R1.15 CNC(=O)C1CCCCC1 240690a_100102657272_100000210647 [0,1,0,1,0,0|0,0,2]=4 5523 B10R1.15 CNC(=O)C1CCCCC1 527a_100102657272_100000210647 [0,1,0,1,0,0|0,0,2]=4 5524 B10R1.15 CNC(=O)C1CCCCO1 11a_106832991635_100000748299 [0,1,0,1,0,0|1,0,1]=4 5525 B10R1.15 CNC(=O)C1CCCCO1 1626a_100102657272_100000748299 [0,1,0,1,0,0|1,0,1]=4 5526 B10R1.15 CNC(=O)C1CCCCO1 240690a_100102657272_100000748299 [0,1,0,1,0,0|1,0,1]=4 5527 B10R1.15 CNC(=O)C1CCCCO1 527a_100102657272_100000748299 [0,1,0,1,0,0|1,0,1]=4 5528 B10R1.15 CNC(C)C1=CCCCC1 2230a_200015185932_200000210301 [0,1,0,1,0,0|1,0,1]=4 5529 B10R1.15 CNC(C)C1=CCCCC1 34a_200015185932_200000210301 [0,1,0,1,0,0|1,0,1]=4 5530 B10R1.15 O=C(CF)C1=CCCCC1 1458a_100000765259_100015361967 [0,1,0,1,0,0|0,0,0]=2 5531 B10R1.15 O=C(CF)C1=CCCCO1 1458a_100000764163_100015361967 [0,1,0,1,0,0|1,0,0]=3 5532 B10R1.15 O=C(CF)C1=COCCC1 1458a_100000749935_100015361967 [0,1,0,1,0,0|1,0,0]=3 5533 B10R1.15 O=C(CF)C1=COCCO1 1458a_100000008702_100015361967 [0,1,0,1,0,0|2,0,0]=4 5534 B10R1.15 O=C(CF)C1CCCCC1 1458a_100000210647_100015361967 [0,1,0,1,0,0|0,0,2]=4 5535 B10R1.15 O=C(CF)C1CCCCO1 1458a_100000748299_100015361967 [0,1,0,1,0,0|1,0,1]=4 5536 B10R1.15 O=C(CO)C1C=CCCC1 1458a_100000210174_100000751183 [0,1,0,1,0,0|0,0,2]=4 5537 B10R1.15 O=C(CO)C1CCCCC1 1458a_100000210174_100000210327 [0,1,0,1,0,0|0,0,2]=4 5538 B10R1.27 CCC(=O)C=C1CCCC1 1458a_100000743260_100000210202 [0,1,0,1,0,0|0,0,0]=2 5539 B10R1.27 CCC(=O)CC1=CCCC1 1458a_100000050221_100000210202 [0,1,0,1,0,0|0,0,2]=4 5540 B10R1.27 CCC(=O)CC1CCCC1 1458a_100000210414_100000740388 [0,1,0,1,0,0|0,0,2]=4 5541 B10R1.27 CCC(=O)CC1CCCC1 1458a_100000210891_100000210202 [0,1,0,1,0,0|0,0,2]=4 5542 B10R1.27 CCC(=O)CN1CCCC1 1458a_100000740243_100000210202 [0,1,0,1,0,0|1,0,1]=4 5543 B10R1.27 CCC(=O)CN1CCCC1 269982a_100000188435_100000747405 [0,1,0,1,0,0|1,0,1]=4 5544 B10R1.27 CCC(=O)NC1CCCC1 11a_100000211070_100000210414 [0,1,0,1,0,0|1,0,1]=4 5545 B10R1.27 CCC(=O)NC1CCCC1 1626a_100000211070_100000210414 [0,1,0,1,0,0|1,0,1]=4 5546 B10R1.27 CCC(=O)NC1CCCC1 240690a_100000211070_100000210414 [0,1,0,1,0,0|1,0,1]=4 5547 B10R1.27 CCC(=O)NC1CCCC1 527a_100000211070_100000210414 [0,1,0,1,0,0|1,0,1]=4 5548 B10R1.27 CNC(=O)C=C1CCCC1 11a_106832991635_100000743260 [0,1,0,1,0,0|0,0,0]=2 5549 B10R1.27 CNC(=O)C=C1CCCC1 1626a_100102657272_100000743260 [0,1,0,1,0,0|0,0,0]=2 5550 B10R1.27 CNC(=O)C=C1CCCC1 240690a_100102657272_100000743260 [0,1,0,1,0,0|0,0,0]=2 5551 B10R1.27 CNC(=O)C=C1CCCC1 527a_100102657272_100000743260 [0,1,0,1,0,0|0,0,0]=2 5552 B10R1.27 CNC(=O)CC1=CCCC1 11a_106832991635_100000050221 [0,1,0,1,0,0|0,0,2]=4 5553 B10R1.27 CNC(=O)CC1=CCCC1 1626a_100102657272_100000050221 [0,1,0,1,0,0|0,0,2]=4 5554 B10R1.27 CNC(=O)CC1=CCCC1 240690a_100102657272_100000050221 [0,1,0,1,0,0|0,0,2]=4 5555 B10R1.27 CNC(=O)CC1=CCCC1 527a_100102657272_100000050221 [0,1,0,1,0,0|0,0,2]=4 5556 B10R1.27 CNC(=O)CC1CCCC1 11a_106832991635_100000210891 [0,1,0,1,0,0|0,0,2]=4 5557 B10R1.27 CNC(=O)CC1CCCC1 1626a_100102657272_100000210891 [0,1,0,1,0,0|0,0,2]=4 5558 B10R1.27 CNC(=O)CC1CCCC1 240690a_100102657272_100000210891 [0,1,0,1,0,0|0,0,2]=4 5559 B10R1.27 CNC(=O)CC1CCCC1 527a_100102657272_100000210891 [0,1,0,1,0,0|0,0,2]=4 5560 B10R1.27 CNC(=O)CN1CCCC1 2230a_100000188435_100000183359 [0,1,0,1,0,0|1,0,1]=4 5561 B10R1.27 CNC(=O)CN1CCCC1 240690a_100102657272_100000740243 [0,1,0,1,0,0|1,0,1]=4 5562 B10R1.27 CNC(=O)CN1CCCC1 269982a_100000188435_100000183359 [0,1,0,1,0,0|1,0,1]=4 5563 B10R1.27 CNC(=O)CN1CCCC1 527a_100102657272_100000740243 [0,1,0,1,0,0|1,0,1]=4 5564 B10R1.27 CNC(=O)NC1CCCC1 2708a_100000211070_106832991635 [0,1,0,1,0,0|1,0,1]=4 5565 B10R1.27 CNC(=O)NC1CCCC1 2708a_100102657272_100000211070 [0,1,0,1,0,0|1,0,1]=4 5566 B10R1.27 CNC(=O)NC1CCCC1 273464a_100000211070_100102657272 [0,1,0,1,0,0|1,0,1]=4 5567 B10R1.27 CNC(=O)NC1CCCC1 273464a_100102657272_100000211070 [0,1,0,1,0,0|1,0,1]=4 5568 B10R1.27 CNC(=O)NC1CCCC1 512a_100000211070_100102657272 [0,1,0,1,0,0|1,0,1]=4 5569 B10R1.27 CNC(=O)NC1CCCC1 512a_106832991638_100000211070 [0,1,0,1,0,0|1,0,1]=4 5570 B10R1.27 COC(=O)CN1CCCC1 2230a_100000188435_100000747449 [0,1,0,1,0,0|1,0,1]=4 5571 B10R1.27 COC(=O)CN1CCCC1 269982a_100000188435_100000747449 [0,1,0,1,0,0|1,0,1]=4 5572 B10R1.27 O=C(C=C1CCCC1)CF 1458a_100000743260_100015361967 [0,1,0,1,0,0|0,0,0]=2 5573 B10R1.27 O=C(CF)CC1=CCCC1 1458a_100000050221_100015361967 [0,1,0,1,0,0|0,0,2]=4 5574 B10R1.27 O=C(CF)CC1CCCC1 1458a_100000210891_100015361967 [0,1,0,1,0,0|0,0,2]=4 5575 B10R1.27 O=C(CF)CN1CCCC1 1458a_100000740243_100015361967 [0,1,0,1,0,0|1,0,1]=4 5576 B10R1.27 O=C(CO)CC1CCCC1 1458a_100000210174_100000740388 [0,1,0,1,0,0|0,0,2]=4 5577 B10R1.27 O=C(CO)NC1CCCC1 240690a_100000211070_100000210174 [0,1,0,1,0,0|1,0,1]=4 5578 B10R1.27 O=C(CO)NC1CCCC1 527a_100000211070_100000210174 [0,1,0,1,0,0|1,0,1]=4 5579 B10R1.37 CCCCNC1CCC1=O 7a_106832991798_100009892977 [0,1,0,1,0,0|1,0,1]=4 5580 B10R1.37 CCCCOC1CCC1=O 34a_100000210227_100009892977 [0,1,0,1,0,0|1,0,1]=4 5581 B10R1.37 CCCCOC1CCC1=O 7a_100000210227_100009892977 [0,1,0,1,0,0|1,0,1]=4 5582 B10R1.37 CCCCSC1CCC1=O 62a_100000210211_100009892977 [0,1,0,1,0,0|1,0,1]=4 5583 B10R1.37 CCCCSC1CCC1=O 62a_100009892977_100000210210 [0,1,0,1,0,0|1,0,1]=4 5584 B10R1.96 CCCc1ccc(s1)SC 62a_100010157708_200000210301 [0,1,0,1,0,0|0,1,1]=4 5585 B10R1.96 CCCc1ccc(s1)SC 62a_200000210301_100010157708 [0,1,0,1,0,0|0,1,1]=4 5586 B10R1.96 CCCc1ccc(s1)S[13CH3] 62a_100010157708_200025704644 [0,1,0,1,0,0|0,1,1]=4 5587 B10R1.96 CCCc1ccc(s1)S[13CH3] 62a_200025704644_100010157708 [0,1,0,1,0,0|0,1,1]=4 5588 B10R1.96 CCCn1ccc(n1)SC 62a_100012457951_200000210301 [0,1,0,1,0,0|2,0,0]=4 5589 B10R1.96 CCCn1ccc(n1)SC 62a_200000210301_100012457951 [0,1,0,1,0,0|2,0,0]=4 5590 B10R1.96 CCCn1ccc(n1)S[13CH3] 62a_100012457951_200025704644 [0,1,0,1,0,0|2,0,0]=4 5591 B10R1.96 CCCn1ccc(n1)S[13CH3] 62a_200025704644_100012457951 [0,1,0,1,0,0|2,0,0]=4 5592 B10R1.149 CC1CCCC1C(=O)CF 1458a_100000690547_100015361967 [0,1,0,1,0,0|0,0,2]=4 5593 B10R1.149 CCC(=O)C1CCCC1C 1458a_100000690547_100000210202 [0,1,0,1,0,0|0,0,2]=4 5594 B10R1.149 CCC(=O)N1CCC[C@@H]1C 240690a_100020605311_100000210414 [0,1,0,1,0,0|1,0,1]=4 5595 B10R1.149 CCC(=O)N1CCC[C@@H]1C 527a_100020605311_100000210414 [0,1,0,1,0,0|1,0,1]=4 5596 B10R1.149 CCC(=O)N1CCC[C@H]1C 11a_100015189458_100000210414 [0,1,0,1,0,0|1,0,1]=4 5597 B10R1.149 CCC(=O)N1CCC[C@H]1C 240690a_100015189458_100000210414 [0,1,0,1,0,0|1,0,1]=4 5598 B10R1.149 CCC(=O)N1CCC[C@H]1C 527a_100015189458_100000210414 [0,1,0,1,0,0|1,0,1]=4 5599 B10R1.149 CNC(=O)C1CCCC1C 11a_106832991635_100000690547 [0,1,0,1,0,0|0,0,2]=4 5600 B10R1.149 CNC(=O)C1CCCC1C 1626a_100102657272_100000690547 [0,1,0,1,0,0|0,0,2]=4 5601 B10R1.149 CNC(=O)C1CCCC1C 240690a_100102657272_100000690547 [0,1,0,1,0,0|0,0,2]=4 5602 B10R1.149 CNC(=O)C1CCCC1C 527a_100102657272_100000690547 [0,1,0,1,0,0|0,0,2]=4 5603 B10R1.149 CNC(=O)N1CCC[C@@H]1C 2708a_100102657272_100020605311 [0,1,0,1,0,0|1,0,1]=4 5604 B10R1.149 CNC(=O)N1CCC[C@@H]1C 273464a_100102657272_100020605311 [0,1,0,1,0,0|1,0,1]=4 5605 B10R1.149 CNC(=O)N1CCC[C@H]1C 2708a_100102657272_100015189458 [0,1,0,1,0,0|1,0,1]=4 5606 B10R1.149 CNC(=O)N1CCC[C@H]1C 273464a_100102657272_100015189458 [0,1,0,1,0,0|1,0,1]=4 5607 B10R1.149 C[C@@H]1CCCN1C(=O)CO 240690a_100015189458_100000210174 [0,1,0,1,0,0|1,0,1]=4 5608 B10R1.149 C[C@@H]1CCCN1C(=O)CO 527a_100015189458_100000210174 [0,1,0,1,0,0|1,0,1]=4 5609 B10R1.149 C[C@H]1CCCN1C(=O)CO 240690a_100020605311_100000210174 [0,1,0,1,0,0|1,0,1]=4 5610 B10R1.149 C[C@H]1CCCN1C(=O)CO 527a_100020605311_100000210174 [0,1,0,1,0,0|1,0,1]=4 5611 B10R1.151 CCC(=O)COC1CCC1 34a_100000725409_100000749161 [0,1,0,1,0,0|1,0,1]=4 5612 B10R1.151 CCC(=O)CSC1CCC1 62a_100000747405_100000749161 [0,1,0,1,0,0|1,0,1]=4 5613 B10R1.151 CCC(=O)NCC1CCC1 11a_100000738700_100000210414 [0,1,0,1,0,0|1,0,1]=4 5614 B10R1.151 CCC(=O)NCC1CCC1 1626a_100000738700_100000210414 [0,1,0,1,0,0|1,0,1]=4 5615 B10R1.151 CCC(=O)NCC1CCC1 240690a_100000738700_100000210414 [0,1,0,1,0,0|1,0,1]=4 5616 B10R1.151 CCC(=O)NCC1CCC1 527a_100000738700_100000210414 [0,1,0,1,0,0|1,0,1]=4 5617 B10R1.151 CCC(=O)NNC1CCC1 22a_100000736358_100000210414 [0,1,0,1,0,0|2,0,0]=4 5618 B10R1.151 CNC(=O)CNC1CCC1 2230a_100000749019_100000183359 [0,1,0,1,0,0|1,0,1]=4 5619 B10R1.151 CNC(=O)CNC1CCC1 270004a_100000693194_100000241760 [0,1,0,1,0,0|1,0,1]=4 5620 B10R1.151 CNC(=O)CNC1CCC1 34a_100000749019_100000183359 [0,1,0,1,0,0|1,0,1]=4 5621 B10R1.151 CNC(=O)COC1CCC1 34a_100000748187_100000183359 [0,1,0,1,0,0|1,0,1]=4 5622 B10R1.151 CNC(=O)COC1CCC1 34a_100000750040_100000749161 [0,1,0,1,0,0|1,0,1]=4 5623 B10R1.151 CNC(=O)CSC1CCC1 62a_100000183359_100000749161 [0,1,0,1,0,0|1,0,1]=4 5624 B10R1.151 CNC(=O)NCC1CCC1 2708a_100000738700_106832991635 [0,1,0,1,0,0|1,0,1]=4 5625 B10R1.151 CNC(=O)NCC1CCC1 2708a_100102657272_100000738700 [0,1,0,1,0,0|1,0,1]=4 5626 B10R1.151 CNC(=O)NCC1CCC1 273464a_100000738700_100102657272 [0,1,0,1,0,0|1,0,1]=4 5627 B10R1.151 CNC(=O)NCC1CCC1 273464a_100102657272_100000738700 [0,1,0,1,0,0|1,0,1]=4 5628 B10R1.151 CNC(=O)NCC1CCC1 512a_100000738700_100102657272 [0,1,0,1,0,0|1,0,1]=4 5629 B10R1.151 CNC(=O)NCC1CCC1 512a_106832991638_100000738700 [0,1,0,1,0,0|1,0,1]=4 5630 B10R1.151 CNC(=O)NNC1CCC1 273464a_100102657272_100000736358 [0,1,0,1,0,0|2,0,0]=4 5631 B10R1.151 CNC(=O)NNC1CCC1 512a_100000736358_100102657272 [0,1,0,1,0,0|2,0,0]=4 5632 B10R1.151 CNC(=O)NNC1CCC1 512a_106832991638_100000736358 [0,1,0,1,0,0|2,0,0]=4 5633 B10R1.151 COC(=O)CNC1CCC1 2230a_100000749019_100000747449 [0,1,0,1,0,0|1,0,1]=4 5634 B10R1.151 COC(=O)CNC1CCC1 34a_100000749019_100000747449 [0,1,0,1,0,0|1,0,1]=4 5635 B10R1.151 COC(=O)COC1CCC1 34a_100000748187_100000747449 [0,1,0,1,0,0|1,0,1]=4 5636 B10R1.151 COC(=O)CSC1CCC1 62a_100000747449_100000749161 [0,1,0,1,0,0|1,0,1]=4 5637 B10R1.151 O=C(CO)NCC1CCC1 240690a_100000738700_100000210174 [0,1,0,1,0,0|1,0,1]=4 5638 B10R1.151 O=C(CO)NCC1CCC1 527a_100000738700_100000210174 [0,1,0,1,0,0|1,0,1]=4 5639 B10R1.151 O=C(CO)NNC1CCC1 22a_100000736358_100000210174 [0,1,0,1,0,0|2,0,0]=4 5640 B10R1.161 COC1C=CCCCCC1 34a_100000688657_200000210301 [0,1,0,1,0,0|0,0,2]=4 5641 B10R1.161 [13CH3]OC1C=CCCCCC1 34a_100000688657_200025704644 [0,1,0,1,0,0|0,0,2]=4 5642 B10R1.463 CCC(=O)CN1CCC1C 269982a_100000755817_100000747405 [0,1,0,1,0,0|1,0,1]=4 5643 B10R1.463 CNC(=O)CN1CCC1C 269982a_100000755817_100000183359 [0,1,0,1,0,0|1,0,1]=4 5644 B10R1.463 CNC(=O)CN1CCC1C 34a_100000755817_100000183359 [0,1,0,1,0,0|1,0,1]=4 5645 B10R1.463 COC(=O)CN1CCC1C 269982a_100000755817_100000747449 [0,1,0,1,0,0|1,0,1]=4 5646 B10R1.463 COC(=O)CN1CCC1C 34a_100000755817_100000747449 [0,1,0,1,0,0|1,0,1]=4 5647 B10R1.23 C=C(C)C(=O)C1CCCC1 1458a_100000185857_100000179811 [0,1,0,1,0,0|1,0,1]=4 5648 B10R1.23 CC(=O)C(C)N1CCCC1 1458a_100025750167_200000210301 [0,1,0,1,0,0|1,0,1]=4 5649 B10R1.23 CC(=O)C(C)N1CCCC1 2230a_100000188435_100009814033 [0,1,0,1,0,0|1,0,1]=4 5650 B10R1.23 CC(=O)C(C)N1CCCC1 269982a_100000188435_100009814033 [0,1,0,1,0,0|1,0,1]=4 5651 B10R1.23 CC(=O)N(C)C1CCCC1 11a_100000207505_100015343762 [0,1,0,1,0,0|1,0,1]=4 5652 B10R1.23 CC(=O)N(C)C1CCCC1 1626a_100000207505_100015343762 [0,1,0,1,0,0|1,0,1]=4 5653 B10R1.23 CC(=O)N(C)C1CCCC1 240690a_100000207505_100015343762 [0,1,0,1,0,0|1,0,1]=4 5654 B10R1.23 CC(=O)N(C)C1CCCC1 527a_100000207505_100103153847 [0,1,0,1,0,0|1,0,1]=4 5655 B10R1.23 CC(C(=O)[13CH3])N1CCCC1 1458a_100025750167_200025704644 [0,1,0,1,0,0|1,0,1]=4 5656 B10R1.23 NC(=O)C(=O)N1CCCC1 240690a_100000188435_100011215815 [0,1,0,1,0,0|2,0,0]=4 5657 B10R1.113 CC(=O)C1CCCC(C1)C 1458a_100011215569_200000210301 [0,1,0,1,0,0|0,0,2]=4 5658 B10R1.113 CC(=O)C1CCCC(C1)O 1458a_100000707227_200000210301 [0,1,0,1,0,0|0,0,2]=4 5659 B10R1.113 CC(=O)N1CCCC(C1)F 11a_100000697950_100015343762 [0,1,0,1,0,0|1,0,1]=4 5660 B10R1.113 CC(=O)N1CCCC(C1)F 1626a_100000697950_100015343762 [0,1,0,1,0,0|1,0,1]=4 5661 B10R1.113 CC(=O)N1CCCC(C1)F 240690a_100000697950_100015343762 [0,1,0,1,0,0|1,0,1]=4 5662 B10R1.113 CC(=O)N1CCCC(C1)F 527a_100000697950_100103153847 [0,1,0,1,0,0|1,0,1]=4 5663 B10R1.113 CC(=O)N1CCCC(C1)O 240690a_100000211013_100015343762 [0,1,0,1,0,0|1,0,1]=4 5664 B10R1.113 CC(=O)N1CCCC(C1)O 527a_100000211013_100103153847 [0,1,0,1,0,0|1,0,1]=4 5665 B10R1.113 CC(=O)N1CCC[C@@H](C1)C 11a_100000717927_100015343762 [0,1,0,1,0,0|1,0,1]=4 5666 B10R1.113 CC(=O)N1CCC[C@@H](C1)C 240690a_100000717927_100015343762 [0,1,0,1,0,0|1,0,1]=4 5667 B10R1.113 CC(=O)N1CCC[C@@H](C1)C 527a_100000717927_100103153847 [0,1,0,1,0,0|1,0,1]=4 5668 B10R1.113 CC1CCCC(C1)C(=O)[13CH3] 1458a_100011215569_200025704644 [0,1,0,1,0,0|0,0,2]=4 5669 B10R1.113 [13CH3]C(=O)C1CCCC(C1)O 1458a_100000707227_200025704644 [0,1,0,1,0,0|0,0,2]=4 5670 B10R1.116 C=C(C)C(=O)N1CCC1C 11a_100000755817_100000185857 [0,1,0,1,0,0|2,0,0]=4 5671 B10R1.116 CC(=O)C(C)N1CCC1C 269982a_100000755817_100009814033 [0,1,0,1,0,0|1,0,1]=4 5672 B10R1.116 CC1CCN1C(=O)C(=O)N 240690a_100000755817_100011215815 [0,1,0,1,0,0|2,0,0]=4 5673 B10R1.131 CCNC1C=C(C(=O)O1)C 2230a_100015525214_200009893386 [0,1,0,1,0,0|2,0,0]=4 5674 B10R1.131 CCSC1C=C(C(=O)O1)C 62a_100000210202_200009893386 [0,1,0,1,0,0|2,0,0]=4 5675 B10R1.131 CCSC1C=C(C(=O)O1)C 62a_200009893386_100000210202 [0,1,0,1,0,0|2,0,0]=4 5676 B10R1.204 C=C(C)C(=O)CC1CCC1 1458a_100000185857_100000763275 [0,1,0,1,0,0|1,0,1]=4 5677 B10R1.204 C=C(C)C(=O)NC1CCC1 11a_100000749019_100000185857 [0,1,0,1,0,0|2,0,0]=4 5678 B10R1.204 C=C(C)C(=O)NC1CCC1 1626a_100000749019_100000185857 [0,1,0,1,0,0|2,0,0]=4 5679 B10R1.204 CC(=O)C(=O)CN1CCC1 269982a_100000754969_100011261029 [0,1,0,1,0,0|1,0,1]=4 5680 B10R1.204 CC(=O)C(C)NC1CCC1 2230a_100000749019_100009814033 [0,1,0,1,0,0|1,0,1]=4 5681 B10R1.204 CC(=O)C(C)OC1CCC1 34a_100000212229_100000749161 [0,1,0,1,0,0|1,0,1]=4 5682 B10R1.204 CC(=O)C(C)SC1CCC1 62a_100009814033_100000749161 [0,1,0,1,0,0|1,0,1]=4 5683 B10R1.204 CC(=O)N(C)CC1CCC1 11a_200000750244_100015343762 [0,1,0,1,0,0|1,0,1]=4 5684 B10R1.204 CC(=O)N(C)CC1CCC1 1626a_200000750244_100015343762 [0,1,0,1,0,0|1,0,1]=4 5685 B10R1.204 CC(=O)N(C)CC1CCC1 240690a_200000750244_100015343762 [0,1,0,1,0,0|1,0,1]=4 5686 B10R1.204 CC(=O)N(C)CC1CCC1 527a_200000750244_100103153847 [0,1,0,1,0,0|1,0,1]=4 5687 B10R1.204 NC(=O)C(=O)NC1CCC1 240690a_100000749019_100011215815 [0,1,0,1,0,0|2,0,0]=4 5688 B10R1.205 C=C(C)C(=O)CCC1CC1 1458a_100000185857_100000694398 [0,1,0,1,0,0|1,0,1]=4 5689 B10R1.205 C=C(C)C(=O)NCC1CC1 11a_100000735609_100000185857 [0,1,0,1,0,0|2,0,0]=4 5690 B10R1.205 C=C(C)C(=O)NCC1CC1 1626a_100000735609_100000185857 [0,1,0,1,0,0|2,0,0]=4 5691 B10R1.205 CC(=O)C(=O)CNC1CC1 34a_100000212008_100011261029 [0,1,0,1,0,0|1,0,1]=4 5692 B10R1.205 CC(=O)C(=O)CSC1CC1 62a_100011261029_100000211595 [0,1,0,1,0,0|1,0,1]=4 5693 B10R1.205 CC(=O)C(C)NCC1CC1 2230a_100000735609_100009814033 [0,1,0,1,0,0|1,0,1]=4 5694 B10R1.205 CC(=O)C(C)OCC1CC1 34a_100000212229_100000742324 [0,1,0,1,0,0|1,0,1]=4 5695 B10R1.205 CC(=O)C(C)SCC1CC1 62a_100000756562_100009814033 [0,1,0,1,0,0|1,0,1]=4 5696 B10R1.205 CC(=O)C(C)SCC1CC1 62a_100009814033_100000742324 [0,1,0,1,0,0|1,0,1]=4 5697 B10R1.205 NC(=O)C(=O)NCC1CC1 240690a_100000735609_100011215815 [0,1,0,1,0,0|2,0,0]=4 5698 B10R1.363 CC(=O)C1(CCCCC1)C 1458a_100000762840_200000210301 [0,1,0,1,0,0|0,0,2]=4 5699 B10R1.363 CC(=O)C1(CCCCC1)F 1458a_100000069003_200000210301 [0,1,0,1,0,0|0,0,2]=4 5700 B10R1.363 CC(=O)C1(CCCCC1)O 1458a_100000242742_200000210301 [0,1,0,1,0,0|0,0,2]=4 5701 B10R1.363 CC1(CCCCC1)C(=O)[13CH3] 1458a_100000762840_200025704644 [0,1,0,1,0,0|0,0,2]=4 5702 B10R1.363 [13CH3]C(=O)C1(CCCCC1)F 1458a_100000069003_200025704644 [0,1,0,1,0,0|0,0,2]=4 5703 B10R1.363 [13CH3]C(=O)C1(CCCCC1)O 1458a_100000242742_200025704644 [0,1,0,1,0,0|0,0,2]=4 5704 B10R1.82 CC(=O)NCC1CC(C1)O 11a_100016992100_100015343762 [0,1,0,1,0,0|1,0,1]=4 5705 B10R1.82 CC(=O)NCC1CC(C1)O 240690a_100016992100_100015343762 [0,1,0,1,0,0|1,0,1]=4 5706 B10R1.211 CC(=O)COC(C)C1CC1 1458a_200000137917_200000210301 [0,1,0,1,0,0|1,0,1]=4 5707 B10R1.211 CC(=O)NCC(O)C1CC1 11a_100000751198_100015343762 [0,1,0,1,0,0|1,0,1]=4 5708 B10R1.211 CC(=O)NCC(O)C1CC1 240690a_100000751198_100015343762 [0,1,0,1,0,0|1,0,1]=4 5709 B10R1.211 CC(=O)NCC(O)C1CC1 527a_100000751198_100103153847 [0,1,0,1,0,0|1,0,1]=4 5710 B10R1.211 CC(OCC(=O)[13CH3])C1CC1 1458a_200000137917_200025704644 [0,1,0,1,0,0|1,0,1]=4 5711 B10R1.353 CC(=O)NCC1(CCC1)C 11a_100000706607_100015343762 [0,1,0,1,0,0|1,0,1]=4 5712 B10R1.353 CC(=O)NCC1(CCC1)C 1626a_100000706607_100015343762 [0,1,0,1,0,0|1,0,1]=4 5713 B10R1.353 CC(=O)NCC1(CCC1)C 240690a_100000706607_100015343762 [0,1,0,1,0,0|1,0,1]=4 5714 B10R1.353 CC(=O)NCC1(CCC1)C 527a_100000706607_100103153847 [0,1,0,1,0,0|1,0,1]=4 5715 B10R1.353 CC(=O)NCC1(CCC1)O 11a_100000752638_100015343762 [0,1,0,1,0,0|1,0,1]=4 5716 B10R1.353 CC(=O)NCC1(CCC1)O 1626a_100000752638_100015343762 [0,1,0,1,0,0|1,0,1]=4 5717 B10R1.353 CC(=O)NCC1(CCC1)O 240690a_100000752638_100015343762 [0,1,0,1,0,0|1,0,1]=4 5718 B10R1.353 CC(=O)NCC1(CCC1)O 527a_100000752638_100103153847 [0,1,0,1,0,0|1,0,1]=4 5719 B10R1.128 CC(=O)N1CCCC1(C)C 11a_100000761399_100015343762 [0,1,0,1,0,0|1,0,1]=4 5720 B10R1.128 CC(=O)N1CCCC1(C)C 1626a_100000761399_100015343762 [0,1,0,1,0,0|1,0,1]=4 5721 B10R1.128 CC(=O)N1CCCC1(C)C 240690a_100000761399_100015343762 [0,1,0,1,0,0|1,0,1]=4 5722 B10R1.128 CC(=O)N1CCCC1(C)C 527a_100000761399_100103153847 [0,1,0,1,0,0|1,0,1]=4 5723 B10R2.357 CC(=O)N1CC2CC2C1 11a_100000741873_100015343762 [0,0,0,2,0,0|1,0,1]=4 5724 B10R2.357 CC(=O)N1CC2CC2C1 1626a_100000741873_100015343762 [0,0,0,2,0,0|1,0,1]=4 5725 B10R2.357 CC(=O)N1CC2CC2C1 240690a_100000741873_100015343762 [0,0,0,2,0,0|1,0,1]=4 5726 B10R2.357 CC(=O)N1CC2CC2C1 527a_100000741873_100103153847 [0,0,0,2,0,0|1,0,1]=4 5727 B10R2.14 Cc1ccc(s1)C2CC2 271570a_100011220607_100000761539 [0,0,0,2,0,0|0,1,1]=4 5728 B10R2.638 CC(=O)C1CC12CCC2 1458a_100000687150_200000210301 [0,0,0,2,0,0|0,0,2]=4 5729 B10R2.638 [13CH3]C(=O)C1CC12CCC2 1458a_100000687150_200025704644 [0,0,0,2,0,0|0,0,2]=4