0 B17R0.43 C=C(C)CCNCCCCCCCCCCCC 2230a_100000210451_100000730704 [0,0,0,0,0,0|3,0,0]=3 1 B17R0.43 C=C(C)CCNCCCCCCCCCCCC 34a_100000210451_100000730704 [0,0,0,0,0,0|3,0,0]=3 2 B17R0.43 C=C(C)CCOCCCCCCCCCCCBr 34a_100009812471_100000730704 [0,0,0,0,0,0|4,0,0]=4 3 B17R0.43 C=C(C)CCOCCCCCCCCCCCBr 7a_100009812471_100000730704 [0,0,0,0,0,0|4,0,0]=4 4 B17R0.43 C=C(C)CCOCCCCCCCCCCCC 34a_100000210810_100000730704 [0,0,0,0,0,0|3,0,0]=3 5 B17R0.43 C=C(C)CCOCCCCCCCCCCCC 34a_100000764851_100000759014 [0,0,0,0,0,0|3,0,0]=3 6 B17R0.43 C=C(C)CCOCCCCCCCCCCCC 7a_100000210810_100000730704 [0,0,0,0,0,0|3,0,0]=3 7 B17R0.43 C=C(C)CCSCCCCCCCCCCCO 62a_100009812471_100000730704 [0,0,0,0,0,0|4,0,0]=4 8 B17R0.43 C=C(C)CNCCCCCCCCCCCCC 2230a_100011215765_100000748629 [0,0,0,0,0,0|3,0,0]=3 9 B17R0.43 C=C(C)CNCCCCCCCCCCCCC 34a_100011215765_100000748629 [0,0,0,0,0,0|3,0,0]=3 10 B17R0.43 C=C(C)COCCCCCCCCCCCCBr 34a_100009813331_100000748629 [0,0,0,0,0,0|4,0,0]=4 11 B17R0.43 C=C(C)COCCCCCCCCCCCCBr 7a_100009813331_100000748629 [0,0,0,0,0,0|4,0,0]=4 12 B17R0.43 C=C(C)COCCCCCCCCCCCCC 34a_100000185773_100000748629 [0,0,0,0,0,0|3,0,0]=3 13 B17R0.43 C=C(C)COCCCCCCCCCCCCC 34a_100000210245_100000210684 [0,0,0,0,0,0|3,0,0]=3 14 B17R0.43 C=C(C)COCCCCCCCCCCCCC 7a_100000185773_100000748629 [0,0,0,0,0,0|3,0,0]=3 15 B17R0.43 C=C(C)COCCSCCCCCCCCCC 34a_100011628728_100000748629 [0,0,0,0,0,0|4,0,0]=4 16 B17R0.43 C=C(C)COCCSCCCCCCCCCC 7a_100011628728_100000748629 [0,0,0,0,0,0|4,0,0]=4 17 B17R0.43 C=C(C)CSCCCCCCCCCCCCO 62a_100009813331_100000211660 [0,0,0,0,0,0|4,0,0]=4 18 B17R0.43 C=C(F)CNCCCCCCCCCCCCC 2230a_100011215765_100009893438 [0,0,0,0,0,0|3,0,0]=3 19 B17R0.43 C=C(F)CNCCCCCCCCCCCCC 34a_100011215765_100009893438 [0,0,0,0,0,0|3,0,0]=3 20 B17R0.43 C=C(F)COCCCCCCCCCCCCBr 34a_100009813331_100009893438 [0,0,0,0,0,0|4,0,0]=4 21 B17R0.43 C=C(F)COCCCCCCCCCCCCBr 7a_100009813331_100000042424 [0,0,0,0,0,0|4,0,0]=4 22 B17R0.43 C=C(F)COCCCCCCCCCCCCC 34a_100000185773_100009893438 [0,0,0,0,0,0|3,0,0]=3 23 B17R0.43 C=C(F)COCCCCCCCCCCCCC 34a_200010262243_100000210684 [0,0,0,0,0,0|3,0,0]=3 24 B17R0.43 C=C(F)COCCCCCCCCCCCCC 7a_100000185773_100000042424 [0,0,0,0,0,0|3,0,0]=3 25 B17R0.43 C=C(F)COCCSCCCCCCCCCC 34a_100011628728_100009893438 [0,0,0,0,0,0|4,0,0]=4 26 B17R0.43 C=C(F)COCCSCCCCCCCCCC 7a_100011628728_100000042424 [0,0,0,0,0,0|4,0,0]=4 27 B17R0.43 C=C(F)CSCCCCCCCCCCCCO 62a_100009813331_100000042424 [0,0,0,0,0,0|4,0,0]=4 28 B17R0.43 C=CCCCCCCCCCCCCCC(=O)C 1458a_100000070787_102495333938 [0,0,0,0,0,0|1,0,2]=3 29 B17R0.43 C=CCCCCCCCCCCSCCC(=O)C 62a_100000053229_100011093070 [0,0,0,0,0,0|2,0,2]=4 30 B17R0.43 C=CCCCCCCCCCCSCCC(=O)C 62a_100011093070_100000053229 [0,0,0,0,0,0|2,0,2]=4 31 B17R0.43 C=CCCCCCCCCCSCCCC(=O)C 62a_100009814027_100011215641 [0,0,0,0,0,0|2,0,2]=4 32 B17R0.43 C=CCCCCCCCCCSCCCC(=O)C 62a_100011215641_100009814027 [0,0,0,0,0,0|2,0,2]=4 33 B17R0.43 C=CCCCCCCCCSCCCCC(=O)C 62a_100000735457_100011933949 [0,0,0,0,0,0|2,0,2]=4 34 B17R0.43 C=CCCCCCCCCSCCCCC(=O)C 62a_100011933949_100000735457 [0,0,0,0,0,0|2,0,2]=4 35 B17R0.43 CC(=O)SCCCCCCCCCCCSCF 62a_100010140907_100015361967 [0,0,0,0,0,0|4,0,0]=4 36 B17R0.43 CC(=O)SCCCCCCCCCCCSCF 62a_100015361967_100010140907 [0,0,0,0,0,0|4,0,0]=4 37 B17R0.43 CCCCCC/C=C\CCCCCCCC(=O)C 1458a_100020587579_200000210301 [0,0,0,0,0,0|1,0,2]=3 38 B17R0.43 CCCCCC/C=C\CCCCCCCC(=O)[13CH3] 1458a_100020587579_200025704644 [0,0,0,0,0,0|1,0,2]=3 39 B17R0.43 CCCCCCCCCCCCCCCN(C)C 2230a_100102631434_100000210322 [0,0,0,0,0,0|3,0,0]=3 40 B17R0.43 CCCCCCCCCCCCCCCN(C)C 269982a_100102631434_100000210322 [0,0,0,0,0,0|3,0,0]=3 41 B17R0.43 CCCCCCCCCCCCCCCN(C)C 270004a_100102631434_100012088177 [0,0,0,0,0,0|3,0,0]=3 42 B17R0.43 CCCCCCCCCCCCCCNC(C)C 2230a_100011217771_100000210206 [0,0,0,0,0,0|3,0,1]=4 43 B17R0.43 CCCCCCCCCCCCCCNC(C)C 2230a_100138425928_100011215471 [0,0,0,0,0,0|3,0,1]=4 44 B17R0.43 CCCCCCCCCCCCCCNC(C)C 34a_100011217771_100000210206 [0,0,0,0,0,0|3,0,1]=4 45 B17R0.43 CCCCCCCCCCCCCCNC(C)C 34a_100138425928_100011215471 [0,0,0,0,0,0|3,0,1]=4 46 B17R0.43 CCCCCCCCCCCCCNCC(C)C 2230a_100000210953_100000210684 [0,0,0,0,0,0|3,0,1]=4 47 B17R0.43 CCCCCCCCCCCCCNCC(C)C 2230a_100011215765_100000210760 [0,0,0,0,0,0|3,0,1]=4 48 B17R0.43 CCCCCCCCCCCCCNCC(C)C 270004a_100000210953_200011215488 [0,0,0,0,0,0|3,0,1]=4 49 B17R0.43 CCCCCCCCCCCCCNCC(C)C 270004a_100011215765_100000210432 [0,0,0,0,0,0|3,0,1]=4 50 B17R0.43 CCCCCCCCCCCCCNCC(C)C 34a_100000210953_100000210684 [0,0,0,0,0,0|3,0,1]=4 51 B17R0.43 CCCCCCCCCCCCCNCC(C)C 34a_100011215765_100000210624 [0,0,0,0,0,0|3,0,1]=4 52 B17R0.43 CCCCCCCCCCCCCNCC(F)F 2230a_100011215765_100011934356 [0,0,0,0,0,0|3,0,1]=4 53 B17R0.43 CCCCCCCCCCCCCNCC(F)F 270004a_100000765723_200011215488 [0,0,0,0,0,0|3,0,1]=4 54 B17R0.43 CCCCCCCCCCCCCNCC(F)F 34a_100000765723_100000210684 [0,0,0,0,0,0|3,0,1]=4 55 B17R0.43 CCCCCCCCCCCCCNCC(F)F 34a_100011215765_100011934356 [0,0,0,0,0,0|3,0,1]=4 56 B17R0.43 CCCCCCCCCCCCCOCC(C)C 34a_100000185773_100000210624 [0,0,0,0,0,0|3,0,1]=4 57 B17R0.43 CCCCCCCCCCCCCOCC(C)C 34a_100000210257_100000210684 [0,0,0,0,0,0|3,0,1]=4 58 B17R0.43 CCCCCCCCCCCCCOCC(C)C 7a_100000185773_100000210760 [0,0,0,0,0,0|3,0,1]=4 59 B17R0.43 CCCCCCCCCCCCCOCC(C)F 34a_100015925927_100000210684 [0,0,0,0,0,0|3,0,1]=4 60 B17R0.43 CCCCCCCCCCCCCOCC(F)F 34a_100000185773_100011934356 [0,0,0,0,0,0|3,0,1]=4 61 B17R0.43 CCCCCCCCCCCCCOCC(F)F 34a_100000743014_100000210684 [0,0,0,0,0,0|3,0,1]=4 62 B17R0.43 CCCCCCCCCCCCCOCC(F)F 7a_100000185773_100011934356 [0,0,0,0,0,0|3,0,1]=4 63 B17R0.43 CCCCCCCCCCCCCOC[C@@H](C)Cl 34a_100016084084_100000210684 [0,0,0,0,0,0|3,0,1]=4 64 B17R0.43 CCCCCCCCCCCCCSCC(C)O 62a_100011218427_100011934334 [0,0,0,0,0,0|2,0,1]=3 65 B17R0.43 CCCCCCCCCCCCCSC[C@@H](C)O 62a_100009817552_100011934334 [0,0,0,0,0,0|2,0,1]=3 66 B17R0.43 CCCCCCCCCCCCNCC=C(C)C 2230a_100000210451_100000761012 [0,0,0,0,0,0|3,0,1]=4 67 B17R0.43 CCCCCCCCCCCCNCC=C(C)C 270004a_100000718196_100011218549 [0,0,0,0,0,0|3,0,1]=4 68 B17R0.43 CCCCCCCCCCCCNCC=C(C)C 34a_100000210451_100000761012 [0,0,0,0,0,0|3,0,1]=4 69 B17R0.43 CCCCCCCCCCCCNCC=C(C)C 34a_100000718196_100000759014 [0,0,0,0,0,0|3,0,1]=4 70 B17R0.43 CCCCCCCCCCCCNCCC(C)C 2230a_100000210451_100000210312 [0,0,0,0,0,0|3,0,1]=4 71 B17R0.43 CCCCCCCCCCCCNCCC(C)C 269862a_100000210451_100000185833 [0,0,0,0,0,0|3,0,1]=4 72 B17R0.43 CCCCCCCCCCCCNCCC(C)C 270004a_100000210545_100011218549 [0,0,0,0,0,0|3,0,1]=4 73 B17R0.43 CCCCCCCCCCCCNCCC(C)C 34a_100000210451_100000210312 [0,0,0,0,0,0|3,0,1]=4 74 B17R0.43 CCCCCCCCCCCCOCC=C(C)C 34a_100000210810_100000761012 [0,0,0,0,0,0|3,0,1]=4 75 B17R0.43 CCCCCCCCCCCCOCC=C(C)C 34a_100000753907_100000759014 [0,0,0,0,0,0|3,0,1]=4 76 B17R0.43 CCCCCCCCCCCCOCC=C(C)C 7a_100000210810_100000761012 [0,0,0,0,0,0|3,0,1]=4 77 B17R0.43 CCCCCCCCCCCCOCCC(C)C 34a_100000210254_100000759014 [0,0,0,0,0,0|3,0,1]=4 78 B17R0.43 CCCCCCCCCCCCOCCC(C)C 34a_100000210810_100000210312 [0,0,0,0,0,0|3,0,1]=4 79 B17R0.43 CCCCCCCCCCCCOCCC(C)C 7a_100000210254_100000759014 [0,0,0,0,0,0|3,0,1]=4 80 B17R0.43 CCCCCCCCCCCCOCCC(C)C 7a_100000210810_100000210626 [0,0,0,0,0,0|3,0,1]=4 81 B17R0.43 CCCCCCCCCCCCOCCC(F)F 34a_100103093639_100000759014 [0,0,0,0,0,0|3,0,1]=4 82 B17R0.43 CCCCCCCCCCCCSCCC(=O)C 1458a_100008107568_200000210301 [0,0,0,0,0,0|2,0,0]=2 83 B17R0.43 CCCCCCCCCCCCSCCC(=O)C 62a_100000053229_100000759014 [0,0,0,0,0,0|2,0,0]=2 84 B17R0.43 CCCCCCCCCCCCSCCC(=O)[13CH3] 1458a_100008107568_200025704644 [0,0,0,0,0,0|2,0,0]=2 85 B17R0.43 CCCCCCCCCCCCSCCC(C)O 62a_100012276601_100000759014 [0,0,0,0,0,0|2,0,1]=3 86 B17R0.43 CCCCCCCCCCCCSCOC(=O)C 62a_100000076356_100000759014 [0,0,0,0,0,0|3,0,0]=3 87 B17R0.43 CCCCCCCCCCCNCCC=C(C)C 2230a_200011215754_100011217483 [0,0,0,0,0,0|3,0,1]=4 88 B17R0.43 CCCCCCCCCCCNCCC=C(C)C 34a_200011215754_100011217483 [0,0,0,0,0,0|3,0,1]=4 89 B17R0.43 CCCCCCCCCCCNCCC=C(F)F 2230a_200011215754_200009816681 [0,0,0,0,0,0|3,0,1]=4 90 B17R0.43 CCCCCCCCCCCNCCC=C(F)F 34a_200011215754_200009816681 [0,0,0,0,0,0|3,0,1]=4 91 B17R0.43 CCCCCCCCCCCNCCCC(C)C 2230a_200000737386_100011215454 [0,0,0,0,0,0|3,0,1]=4 92 B17R0.43 CCCCCCCCCCCNCCCC(C)C 2230a_200011215754_100011214892 [0,0,0,0,0,0|3,0,1]=4 93 B17R0.43 CCCCCCCCCCCNCCCC(C)C 34a_200000737386_100011215454 [0,0,0,0,0,0|3,0,1]=4 94 B17R0.43 CCCCCCCCCCCNCCCC(C)C 34a_200011215754_100011214892 [0,0,0,0,0,0|3,0,1]=4 95 B17R0.43 CCCCCCCCCCCOCCC=C(C)C 34a_100000210809_100011217483 [0,0,0,0,0,0|3,0,1]=4 96 B17R0.43 CCCCCCCCCCCOCCC=C(C)C 7a_100000210809_100011217483 [0,0,0,0,0,0|3,0,1]=4 97 B17R0.43 CCCCCCCCCCCOCCC=C(F)F 34a_100000210809_200009816681 [0,0,0,0,0,0|3,0,1]=4 98 B17R0.43 CCCCCCCCCCCOCCC=C(F)F 7a_100000210809_200009816681 [0,0,0,0,0,0|3,0,1]=4 99 B17R0.43 CCCCCCCCCCCOCCCC(C)C 34a_100000210774_100011215454 [0,0,0,0,0,0|3,0,1]=4 100 B17R0.43 CCCCCCCCCCCOCCCC(C)C 34a_100000210809_100011214892 [0,0,0,0,0,0|3,0,1]=4 101 B17R0.43 CCCCCCCCCCCOCCCC(C)C 7a_100000210774_100011215454 [0,0,0,0,0,0|3,0,1]=4 102 B17R0.43 CCCCCCCCCCCOCCCC(C)C 7a_100000210809_100011214892 [0,0,0,0,0,0|3,0,1]=4 103 B17R0.43 CCCCCCCCCCCSCCCC(=O)C 62a_100011215641_100011215454 [0,0,0,0,0,0|2,0,0]=2 104 B17R0.43 CCCCCCCCCCCSCCCC(C)O 62a_200000718107_100011215454 [0,0,0,0,0,0|2,0,1]=3 105 B17R0.43 CCCCCCCCCCNCCCCC(C)C 2230a_100000684558_100011216152 [0,0,0,0,0,0|3,0,1]=4 106 B17R0.43 CCCCCCCCCCNCCCCC(C)C 34a_100000684558_100011216152 [0,0,0,0,0,0|3,0,1]=4 107 B17R0.43 CCCCCCCCCCOCCCCC(C)C 34a_100000210711_100011216152 [0,0,0,0,0,0|3,0,1]=4 108 B17R0.43 CCCCCCCCCCOCCCCC(C)C 34a_100011214890_100000210320 [0,0,0,0,0,0|3,0,1]=4 109 B17R0.43 CCCCCCCCCCOCCCCC(C)C 7a_100000210711_100011216152 [0,0,0,0,0,0|3,0,1]=4 110 B17R0.43 CCCCCCCCCCOCCCCC(C)C 7a_100011214890_100000210320 [0,0,0,0,0,0|3,0,1]=4 111 B17R0.43 CCCCCCCCCCSCCCCC(=O)C 62a_100000735457_100000210320 [0,0,0,0,0,0|2,0,0]=2 112 B17R0.43 CCCCCCCCCCSCCCOC(=S)C 62a_200135323944_100000210320 [0,0,0,0,0,0|3,1,0]=4 113 B17R0.43 CCCCCCCCCCSCCCSC(=O)C 62a_100000038929_100000210320 [0,0,0,0,0,0|3,0,0]=3 114 B17R0.43 CCCCCCCCCNCCCCCC(C)C 2230a_100000212291_100000210682 [0,0,0,0,0,0|3,0,1]=4 115 B17R0.43 CCCCCCCCCNCCCCCC(C)C 2230a_100011290863_100011214924 [0,0,0,0,0,0|3,0,1]=4 116 B17R0.43 CCCCCCCCCNCCCCCC(C)C 34a_100000212291_100000210682 [0,0,0,0,0,0|3,0,1]=4 117 B17R0.43 CCCCCCCCCNCCCCCC(C)C 34a_100011290863_100011214924 [0,0,0,0,0,0|3,0,1]=4 118 B17R0.43 CCCCCCCCCOCCCCCC(C)C 34a_100000210712_100000210682 [0,0,0,0,0,0|3,0,1]=4 119 B17R0.43 CCCCCCCCCOCCCCCC(C)C 34a_100011995859_100011214924 [0,0,0,0,0,0|3,0,1]=4 120 B17R0.43 CCCCCCCCCOCCCCCC(C)C 7a_100000210712_100000210682 [0,0,0,0,0,0|3,0,1]=4 121 B17R0.43 CCCCCCCCCOCCCCCC(C)C 7a_100011995859_100000210328 [0,0,0,0,0,0|3,0,1]=4 122 B17R0.43 CCCCCCCCCSCCCCSC(=O)C 62a_200010402107_100000210670 [0,0,0,0,0,0|3,0,0]=3 123 B17R0.43 CCCCCCCCNCCCCCCC(C)C 2230a_100000211014_100000210759 [0,0,0,0,0,0|3,0,1]=4 124 B17R0.43 CCCCCCCCNCCCCCCC(C)C 34a_100000211014_100000210759 [0,0,0,0,0,0|3,0,1]=4 125 B17R0.43 CCCCCCCOCCCCCCCC(C)C 34a_200000210741_100000210614 [0,0,0,0,0,0|3,0,1]=4 126 B17R0.43 CCCCCCCOCCCCCCCC(C)C 7a_200000210741_100000210614 [0,0,0,0,0,0|3,0,1]=4 127 B17R0.43 CCSCCCCCCCCCCCSC(=O)C 62a_100000210202_100010140907 [0,0,0,0,0,0|3,0,0]=3 128 B17R0.43 CCSCCCCCCCCCCCSC(=O)C 62a_100010140907_100000210202 [0,0,0,0,0,0|3,0,0]=3 129 B16R0.274 C=C(Br)CCOCCCCCCCCCCC 34a_100009813270_100011215454 [1,0,0,0,0,0|3,0,0]=4 130 B16R0.274 C=C(C)CCNCCCCCCCCCCC 2230a_200011215754_100000730704 [1,0,0,0,0,0|3,0,0]=4 131 B16R0.274 C=C(C)CCNCCCCCCCCCCC 34a_200011215754_100000730704 [1,0,0,0,0,0|3,0,0]=4 132 B16R0.274 C=C(C)CCOCCCCCCCCCCC 34a_100000210809_100000730704 [1,0,0,0,0,0|3,0,0]=4 133 B16R0.274 C=C(C)CCOCCCCCCCCCCC 34a_100000764851_100011215454 [1,0,0,0,0,0|3,0,0]=4 134 B16R0.274 C=C(C)CCOCCCCCCCCCCC 7a_100000210809_100000730704 [1,0,0,0,0,0|3,0,0]=4 135 B16R0.274 C=C(C)CNCCCCCCCCCCCC 2230a_100000210451_100000748629 [1,0,0,0,0,0|3,0,0]=4 136 B16R0.274 C=C(C)CNCCCCCCCCCCCC 34a_100000210451_100000748629 [1,0,0,0,0,0|3,0,0]=4 137 B16R0.274 C=C(C)COCCCCCCCCCCCC 34a_100000210245_100000759014 [1,0,0,0,0,0|3,0,0]=4 138 B16R0.274 C=C(C)COCCCCCCCCCCCC 34a_100000210810_100000748629 [1,0,0,0,0,0|3,0,0]=4 139 B16R0.274 C=C(C)COCCCCCCCCCCCC 7a_100000210810_100000748629 [1,0,0,0,0,0|3,0,0]=4 140 B16R0.274 C=C(F)COCCCCCCCCCCCC 34a_100000210810_100009893438 [1,0,0,0,0,0|3,0,0]=4 141 B16R0.274 C=C(F)COCCCCCCCCCCCC 34a_200010262243_100000759014 [1,0,0,0,0,0|3,0,0]=4 142 B16R0.274 C=C(F)COCCCCCCCCCCCC 7a_100000210810_100000042424 [1,0,0,0,0,0|3,0,0]=4 143 B16R0.274 CC(=O)SCCCCCCCCCCCS[13CH3] 62a_100010140907_200025704644 [1,0,0,0,0,0|3,0,0]=4 144 B16R0.274 CC(=O)SCCCCCCCCCCCS[13CH3] 62a_200025704644_100010140907 [1,0,0,0,0,0|3,0,0]=4 145 B16R0.274 CCCCCCCCCCCCCCC(=O)C 1458a_100000070787_100011215471 [1,0,0,0,0,0|1,0,0]=2 146 B16R0.274 CCCCCCCCCCCCCCC(=O)C 1458a_100000297455_200000210301 [1,0,0,0,0,0|1,0,0]=2 147 B16R0.274 CCCCCCCCCCCCCCC(=O)[13CH3] 1458a_100000297455_200025704644 [1,0,0,0,0,0|1,0,0]=2 148 B16R0.274 CCCCCCCCCCCCCCN(C)C 2230a_100102631434_100011215471 [1,0,0,0,0,0|3,0,0]=4 149 B16R0.274 CCCCCCCCCCCCCCN(C)C 269982a_100102631434_100011215471 [1,0,0,0,0,0|3,0,0]=4 150 B16R0.274 CCCCCCCCCCCCCCN(C)C 270004a_100102631434_200011216147 [1,0,0,0,0,0|3,0,0]=4 151 B16R0.274 CCCCCCCCCCCCSCC(C)O 62a_100011218427_100000759014 [1,0,0,0,0,0|2,0,1]=4 152 B16R0.274 CCCCCCCCCCCCSC[C@@H](C)O 62a_100009817552_100000759014 [1,0,0,0,0,0|2,0,1]=4 153 B16R0.274 CCCCCCCCCCCSCCC(=O)C 62a_100000053229_100011215454 [1,0,0,0,0,0|2,0,0]=3 154 B16R0.274 CCCCCCCCCCCSCCC(C)O 62a_100012276601_100011215454 [1,0,0,0,0,0|2,0,1]=4 155 B16R0.274 CCCCCCCCCCSCCCC(=O)C 62a_100011215641_100000210320 [1,0,0,0,0,0|2,0,0]=3 156 B16R0.274 CCCCCCCCCCSCCCC(C)O 62a_200000718107_100000210320 [1,0,0,0,0,0|2,0,1]=4 157 B16R0.274 CCCCCCCCCSCCCCC(=O)C 62a_100000735457_100000210670 [1,0,0,0,0,0|2,0,0]=3 158 B16R0.274 CCCCCCCCCSCCCSC(=O)C 62a_100000038929_100000210670 [1,0,0,0,0,0|3,0,0]=4 159 B16R0.274 CCCCCCCCSCCCCSC(=O)C 62a_100000210759_200010402107 [1,0,0,0,0,0|3,0,0]=4 160 B16R0.274 CCCCCCCCSCCCCSC(=O)C 62a_200010402107_100000210317 [1,0,0,0,0,0|3,0,0]=4 161 B16R0.274 CSCCCCCCCCCCCSC(=O)C 62a_100010140907_200000210301 [1,0,0,0,0,0|3,0,0]=4 162 B16R0.274 CSCCCCCCCCCCCSC(=O)C 62a_200000210301_100010140907 [1,0,0,0,0,0|3,0,0]=4 163 B16R0.303 C#CCCCCCCCSCCCCCCC 62a_100000210614_100153394163 [1,0,0,0,0,0|2,0,1]=4 164 B16R0.303 C#CCCCCCCCSCCCCCCC 62a_100153394163_100000210316 [1,0,0,0,0,0|2,0,1]=4 165 B16R0.303 C#CCCCCCCSCCCCCCCC 62a_100000210759_100012276617 [1,0,0,0,0,0|2,0,1]=4 166 B16R0.303 C#CCCCCCCSCCCCCCCC 62a_100012276617_100000210317 [1,0,0,0,0,0|2,0,1]=4 167 B16R0.303 C#CCCCCCSCCCCCCCCC 62a_100012094781_100000210670 [1,0,0,0,0,0|2,0,1]=4 168 B16R0.303 C#CCCCCSCCCCCCCCCC 62a_100010269958_100000210320 [1,0,0,0,0,0|2,0,1]=4 169 B16R0.303 C#CCCCSCCCCCCCCCCC 62a_100011215417_100011215454 [1,0,0,0,0,0|2,0,1]=4 170 B16R0.303 C#CCCSCCCCCCCCCCCC 62a_100000688953_100000759014 [1,0,0,0,0,0|2,0,1]=4 171 B16R0.303 C#CCSCCCCCCCCCCCCC 62a_100000038162_100011934334 [1,0,0,0,0,0|2,0,1]=4 172 B16R0.303 C/C=C/CCOCCCCCCCCCCC 34a_100016278192_100011215454 [1,0,0,0,0,0|2,0,1]=4 173 B16R0.303 C/C=C/CNCCCCCCCCCCCC 34a_100000210451_100102629194 [1,0,0,0,0,0|2,0,1]=4 174 B16R0.303 C/C=C/COCCCCCCCCCCCC 34a_100000210810_100102629194 [1,0,0,0,0,0|2,0,1]=4 175 B16R0.303 C/C=C/COCCCCCCCCCCCC 34a_100016270725_100000759014 [1,0,0,0,0,0|2,0,1]=4 176 B16R0.303 C/C=C/COCCCCCCCCCCCC 7a_100000210810_100102629194 [1,0,0,0,0,0|2,0,1]=4 177 B16R0.303 C=CCCCCCCCCCCCCCNC 2230a_106832991635_102495333938 [1,0,0,0,0,0|2,0,0]=3 178 B16R0.303 C=CCCCCCCCCCCCCCNC 34a_100102657272_102495333938 [1,0,0,0,0,0|2,0,0]=3 179 B16R0.303 C=CCCCCCCCCCCCCCNC 7a_106832991635_102495333938 [1,0,0,0,0,0|2,0,0]=3 180 B16R0.303 C=CCCCCCCCCCCCCCOC 34a_100138415774_102495333938 [1,0,0,0,0,0|2,0,0]=3 181 B16R0.303 C=CCCCCCCCCCCCOCCBr 34a_100000211926_102130925996 [1,0,0,0,0,0|3,0,0]=4 182 B16R0.303 C=CCCCCCCCCCCCOCCC 34a_100000210258_102130925996 [1,0,0,0,0,0|2,0,0]=3 183 B16R0.303 C=CCCCCCCCCCCCSCC=O 62a_102130925996_200015260668 [1,0,0,0,0,0|1,0,2]=4 184 B16R0.303 C=CCCCCCCCCCCCSCC=O 62a_200015260668_102130925996 [1,0,0,0,0,0|1,0,2]=4 185 B16R0.303 C=CCCCCCCCCCCCSCCF 62a_100011217306_102130925996 [1,0,0,0,0,0|3,0,0]=4 186 B16R0.303 C=CCCCCCCCCCCCSCCF 62a_102130925996_100011217306 [1,0,0,0,0,0|3,0,0]=4 187 B16R0.303 C=CCCCCCCCCCCCSCOC 62a_100000766300_102130925996 [1,0,0,0,0,0|3,0,0]=4 188 B16R0.303 C=CCCCCCCCCCCCSCOC 62a_102130925996_100000766300 [1,0,0,0,0,0|3,0,0]=4 189 B16R0.303 C=CCCCCCCCCCCNCCCC 2230a_100000102301_100011093070 [1,0,0,0,0,0|2,0,0]=3 190 B16R0.303 C=CCCCCCCCCCCNCCCC 7a_106832991798_100011093070 [1,0,0,0,0,0|2,0,0]=3 191 B16R0.303 C=CCCCCCCCCCCOCCCBr 34a_100011217188_100011093070 [1,0,0,0,0,0|3,0,0]=4 192 B16R0.303 C=CCCCCCCCCCCOCCCC 34a_100000210227_100011093070 [1,0,0,0,0,0|2,0,0]=3 193 B16R0.303 C=CCCCCCCCCCCOCCCC 7a_100000210227_100011093070 [1,0,0,0,0,0|2,0,0]=3 194 B16R0.303 C=CCCCCCCCCCCOCCCCl 34a_100000230001_100011093070 [1,0,0,0,0,0|3,0,0]=4 195 B16R0.303 C=CCCCCCCCCCCOCCCF 34a_100000759539_100011093070 [1,0,0,0,0,0|3,0,0]=4 196 B16R0.303 C=CCCCCCCCCCCOCCSC 34a_100000230434_100011093070 [1,0,0,0,0,0|3,0,0]=4 197 B16R0.303 C=CCCCCCCCCCCOCCSC 7a_100000230434_100011093070 [1,0,0,0,0,0|3,0,0]=4 198 B16R0.303 C=CCCCCCCCCCCSCCCF 62a_100011093070_100011934791 [1,0,0,0,0,0|3,0,0]=4 199 B16R0.303 C=CCCCCCCCCCCSCCCF 62a_100011934791_100011093070 [1,0,0,0,0,0|3,0,0]=4 200 B16R0.303 C=CCCCCCCCCCCSCCOC 62a_100000233755_100011093070 [1,0,0,0,0,0|3,0,0]=4 201 B16R0.303 C=CCCCCCCCCCCSCCOC 62a_100011093070_100000233755 [1,0,0,0,0,0|3,0,0]=4 202 B16R0.303 C=CCCCCCCCCCCSCCSC 62a_100000212216_100011093070 [1,0,0,0,0,0|3,0,0]=4 203 B16R0.303 C=CCCCCCCCCCCSCCSC 62a_100011093070_100000751147 [1,0,0,0,0,0|3,0,0]=4 204 B16R0.303 C=CCCCCCCCCCCSCOCC 62a_100000739092_100011093070 [1,0,0,0,0,0|3,0,0]=4 205 B16R0.303 C=CCCCCCCCCCCSCOCC 62a_100011093070_100000739092 [1,0,0,0,0,0|3,0,0]=4 206 B16R0.303 C=CCCCCCCCCCNCCCCC 2230a_100000081888_100000210326 [1,0,0,0,0,0|2,0,0]=3 207 B16R0.303 C=CCCCCCCCCCNCCCCC 2230a_100000209983_100009814027 [1,0,0,0,0,0|2,0,0]=3 208 B16R0.303 C=CCCCCCCCCCNCCCCC 34a_100000081888_100000718602 [1,0,0,0,0,0|2,0,0]=3 209 B16R0.303 C=CCCCCCCCCCOCCCCBr 34a_100011216708_100009814027 [1,0,0,0,0,0|3,0,0]=4 210 B16R0.303 C=CCCCCCCCCCOCCCCC 34a_100000038209_100000718602 [1,0,0,0,0,0|2,0,0]=3 211 B16R0.303 C=CCCCCCCCCCOCCCCC 34a_100000210253_100009814027 [1,0,0,0,0,0|2,0,0]=3 212 B16R0.303 C=CCCCCCCCCCOCCCCC 7a_100000038209_100000210326 [1,0,0,0,0,0|2,0,0]=3 213 B16R0.303 C=CCCCCCCCCCOCCCCC 7a_100000210253_100009814027 [1,0,0,0,0,0|2,0,0]=3 214 B16R0.303 C=CCCCCCCCCCOCCCCCl 34a_100000210776_100009814027 [1,0,0,0,0,0|3,0,0]=4 215 B16R0.303 C=CCCCCCCCCCOCCCCCl 7a_100000210776_100009814027 [1,0,0,0,0,0|3,0,0]=4 216 B16R0.303 C=CCCCCCCCCCOCCCCF 34a_100000038209_100000729493 [1,0,0,0,0,0|3,0,0]=4 217 B16R0.303 C=CCCCCCCCCCOCCCCF 34a_100011995726_100009814027 [1,0,0,0,0,0|3,0,0]=4 218 B16R0.303 C=CCCCCCCCCCOCCCCF 7a_100000038209_100000729493 [1,0,0,0,0,0|3,0,0]=4 219 B16R0.303 C=CCCCCCCCCCOCCCCF 7a_100011995726_100009814027 [1,0,0,0,0,0|3,0,0]=4 220 B16R0.303 C=CCCCCCCCCCOCCCCI 34a_200012148704_100009814027 [1,0,0,0,0,0|3,0,0]=4 221 B16R0.303 C=CCCCCCCCCCOCCCSC 34a_100000690336_100009814027 [1,0,0,0,0,0|3,0,0]=4 222 B16R0.303 C=CCCCCCCCCCOCCCSC 7a_100000690336_100009814027 [1,0,0,0,0,0|3,0,0]=4 223 B16R0.303 C=CCCCCCCCCCOCCSCC 34a_100000038209_100000757381 [1,0,0,0,0,0|3,0,0]=4 224 B16R0.303 C=CCCCCCCCCCOCCSCC 34a_100000212035_100009814027 [1,0,0,0,0,0|3,0,0]=4 225 B16R0.303 C=CCCCCCCCCCOCCSCC 7a_100000038209_100000757381 [1,0,0,0,0,0|3,0,0]=4 226 B16R0.303 C=CCCCCCCCCCOCCSCC 7a_100000212035_100009814027 [1,0,0,0,0,0|3,0,0]=4 227 B16R0.303 C=CCCCCCCCCCSCCCC=O 62a_100009814027_200011292268 [1,0,0,0,0,0|1,0,2]=4 228 B16R0.303 C=CCCCCCCCCCSCCCC=O 62a_200011292268_100009814027 [1,0,0,0,0,0|1,0,2]=4 229 B16R0.303 C=CCCCCCCCCCSCCCCF 62a_100000729493_100009814027 [1,0,0,0,0,0|3,0,0]=4 230 B16R0.303 C=CCCCCCCCCCSCCCCF 62a_100009814027_100000729493 [1,0,0,0,0,0|3,0,0]=4 231 B16R0.303 C=CCCCCCCCCCSCCCOC 62a_100000709357_100009814027 [1,0,0,0,0,0|3,0,0]=4 232 B16R0.303 C=CCCCCCCCCCSCCCOC 62a_100009814027_100000709357 [1,0,0,0,0,0|3,0,0]=4 233 B16R0.303 C=CCCCCCCCCCSCCOCC 62a_100000210147_100009814027 [1,0,0,0,0,0|3,0,0]=4 234 B16R0.303 C=CCCCCCCCCCSCCOCC 62a_100009814027_100011215890 [1,0,0,0,0,0|3,0,0]=4 235 B16R0.303 C=CCCCCCCCCCSCCSCC 62a_100000757381_100009814027 [1,0,0,0,0,0|3,0,0]=4 236 B16R0.303 C=CCCCCCCCCCSCCSCC 62a_100009814027_100000757381 [1,0,0,0,0,0|3,0,0]=4 237 B16R0.303 C=CCCCCCCCCNCCCCCC 2230a_100000210581_100011933949 [1,0,0,0,0,0|2,0,0]=3 238 B16R0.303 C=CCCCCCCCCOCCCCCBr 34a_100000746331_100011933949 [1,0,0,0,0,0|3,0,0]=4 239 B16R0.303 C=CCCCCCCCCOCCCCCBr 7a_100000746331_100011933949 [1,0,0,0,0,0|3,0,0]=4 240 B16R0.303 C=CCCCCCCCCOCCCCCC 34a_100000210259_100011933949 [1,0,0,0,0,0|2,0,0]=3 241 B16R0.303 C=CCCCCCCCCOCCCCCC 34a_100011215194_100000210314 [1,0,0,0,0,0|2,0,0]=3 242 B16R0.303 C=CCCCCCCCCOCCCCCC 7a_100000210259_100011933949 [1,0,0,0,0,0|2,0,0]=3 243 B16R0.303 C=CCCCCCCCCOCCCCCC 7a_100011215194_100000210314 [1,0,0,0,0,0|2,0,0]=3 244 B16R0.303 C=CCCCCCCCCOCCCCCCl 34a_100000746330_100011933949 [1,0,0,0,0,0|3,0,0]=4 245 B16R0.303 C=CCCCCCCCCOCCCCCCl 7a_100000746330_100011933949 [1,0,0,0,0,0|3,0,0]=4 246 B16R0.303 C=CCCCCCCCCOCCCCCF 34a_100011215194_100000729378 [1,0,0,0,0,0|3,0,0]=4 247 B16R0.303 C=CCCCCCCCCOCCCCCF 7a_100011215194_100000729378 [1,0,0,0,0,0|3,0,0]=4 248 B16R0.303 C=CCCCCCCCCOCCCCCI 34a_200012148887_100011933949 [1,0,0,0,0,0|3,0,0]=4 249 B16R0.303 C=CCCCCCCCCOCCCCCI 7a_200012148887_100011933949 [1,0,0,0,0,0|3,0,0]=4 250 B16R0.303 C=CCCCCCCCCOCCCCSC 34a_100011217163_100011933949 [1,0,0,0,0,0|3,0,0]=4 251 B16R0.303 C=CCCCCCCCCOCCCCSC 7a_100011217163_100011933949 [1,0,0,0,0,0|3,0,0]=4 252 B16R0.303 C=CCCCCCCCCOCCCSCC 34a_100011216438_100011933949 [1,0,0,0,0,0|3,0,0]=4 253 B16R0.303 C=CCCCCCCCCOCCCSCC 7a_100011216438_100011933949 [1,0,0,0,0,0|3,0,0]=4 254 B16R0.303 C=CCCCCCCCCOCCSCCC 34a_200000230433_100011933949 [1,0,0,0,0,0|3,0,0]=4 255 B16R0.303 C=CCCCCCCCCOCCSCCC 7a_200000230433_100011933949 [1,0,0,0,0,0|3,0,0]=4 256 B16R0.303 C=CCCCCCCCCSCCCCC=O 62a_100000139335_100011933949 [1,0,0,0,0,0|1,0,2]=4 257 B16R0.303 C=CCCCCCCCCSCCCCC=O 62a_100011933949_100000139335 [1,0,0,0,0,0|1,0,2]=4 258 B16R0.303 C=CCCCCCCCCSCCCCCF 62a_100000729378_100011933949 [1,0,0,0,0,0|3,0,0]=4 259 B16R0.303 C=CCCCCCCCCSCCCCCF 62a_100011933949_100000729378 [1,0,0,0,0,0|3,0,0]=4 260 B16R0.303 C=CCCCCCCCCSCCCCOC 62a_100000730899_100011933949 [1,0,0,0,0,0|3,0,0]=4 261 B16R0.303 C=CCCCCCCCCSCCCCOC 62a_100011933949_100000730899 [1,0,0,0,0,0|3,0,0]=4 262 B16R0.303 C=CCCCCCCCCSCCCOCC 62a_100011933949_100012232248 [1,0,0,0,0,0|3,0,0]=4 263 B16R0.303 C=CCCCCCCCCSCCCOCC 62a_100012232248_100011933949 [1,0,0,0,0,0|3,0,0]=4 264 B16R0.303 C=CCCCCCCCCSCCOCCC 62a_100011215938_100011933949 [1,0,0,0,0,0|3,0,0]=4 265 B16R0.303 C=CCCCCCCCCSCCOCCC 62a_100011933949_100011215938 [1,0,0,0,0,0|3,0,0]=4 266 B16R0.303 C=CCCCCCCCCSCOCCCC 62a_100011933949_100011995733 [1,0,0,0,0,0|3,0,0]=4 267 B16R0.303 C=CCCCCCCCCSCOCCCC 62a_100011995733_100011933949 [1,0,0,0,0,0|3,0,0]=4 268 B16R0.303 C=CCCCCCCCNCCCCCCC 2230a_100000229938_100012355270 [1,0,0,0,0,0|2,0,0]=3 269 B16R0.303 C=CCCCCCCCOCCCCCCBr 34a_100011215345_100012355270 [1,0,0,0,0,0|3,0,0]=4 270 B16R0.303 C=CCCCCCCCOCCCCCCBr 7a_100011215345_100012355270 [1,0,0,0,0,0|3,0,0]=4 271 B16R0.303 C=CCCCCCCCOCCCCCCC 34a_100000210272_100012355270 [1,0,0,0,0,0|2,0,0]=3 272 B16R0.303 C=CCCCCCCCOCCCCCCC 34a_100000730831_100000210614 [1,0,0,0,0,0|2,0,0]=3 273 B16R0.303 C=CCCCCCCCOCCCCCCC 7a_100000210272_100012355270 [1,0,0,0,0,0|2,0,0]=3 274 B16R0.303 C=CCCCCCCCOCCCCCCC 7a_100000730831_100000210614 [1,0,0,0,0,0|2,0,0]=3 275 B16R0.303 C=CCCCCCCCOCCCCCCCl 34a_100000766143_100012355270 [1,0,0,0,0,0|3,0,0]=4 276 B16R0.303 C=CCCCCCCCOCCCCCCCl 7a_100000766143_100012355270 [1,0,0,0,0,0|3,0,0]=4 277 B16R0.303 C=CCCCCCCCOCCCCCCF 34a_100000730831_100015922095 [1,0,0,0,0,0|3,0,0]=4 278 B16R0.303 C=CCCCCCCCOCCCCCCF 34a_100000732779_100012355270 [1,0,0,0,0,0|3,0,0]=4 279 B16R0.303 C=CCCCCCCCOCCCCCCF 7a_100000730831_100015922095 [1,0,0,0,0,0|3,0,0]=4 280 B16R0.303 C=CCCCCCCCOCCCCCCF 7a_100000732779_100012355270 [1,0,0,0,0,0|3,0,0]=4 281 B16R0.303 C=CCCCCCCCOCCSCCCC 34a_200000230436_100012355270 [1,0,0,0,0,0|3,0,0]=4 282 B16R0.303 C=CCCCCCCCOCCSCCCC 7a_200000230436_100012355270 [1,0,0,0,0,0|3,0,0]=4 283 B16R0.303 C=CCCCCCCCSCCCCCC=O 62a_100000139337_100012355270 [1,0,0,0,0,0|1,0,2]=4 284 B16R0.303 C=CCCCCCCCSCCCCCC=O 62a_100012355270_100000139337 [1,0,0,0,0,0|1,0,2]=4 285 B16R0.303 C=CCCCCCCCSCCCCCCF 62a_100012355270_100015922095 [1,0,0,0,0,0|3,0,0]=4 286 B16R0.303 C=CCCCCCCCSCCCCCCF 62a_100015922095_100012355270 [1,0,0,0,0,0|3,0,0]=4 287 B16R0.303 C=CCCCCCCCSCCOCCCC 62a_100000743108_100012355270 [1,0,0,0,0,0|3,0,0]=4 288 B16R0.303 C=CCCCCCCCSCCOCCCC 62a_100012355270_100000743108 [1,0,0,0,0,0|3,0,0]=4 289 B16R0.303 C=CCCCCCCNCCCCCCCC 2230a_100000229939_100011215473 [1,0,0,0,0,0|2,0,0]=3 290 B16R0.303 C=CCCCCCCNCCCCCCCC 34a_100000229939_100011215473 [1,0,0,0,0,0|2,0,0]=3 291 B16R0.303 C=CCCCCCCOCCCCCCCBr 34a_100000760002_100011215473 [1,0,0,0,0,0|3,0,0]=4 292 B16R0.303 C=CCCCCCCOCCCCCCCBr 7a_100000760002_100011215473 [1,0,0,0,0,0|3,0,0]=4 293 B16R0.303 C=CCCCCCCOCCCCCCCC 34a_100000210232_100011215473 [1,0,0,0,0,0|2,0,0]=3 294 B16R0.303 C=CCCCCCCOCCCCCCCC 34a_200011216477_100000210759 [1,0,0,0,0,0|2,0,0]=3 295 B16R0.303 C=CCCCCCCOCCCCCCCC 7a_100000210232_100011215473 [1,0,0,0,0,0|2,0,0]=3 296 B16R0.303 C=CCCCCCCOCCCCCCCC 7a_200011216477_100000210759 [1,0,0,0,0,0|2,0,0]=3 297 B16R0.303 C=CCCCCCCSCCCCCCOC 62a_100011215473_100011998445 [1,0,0,0,0,0|3,0,0]=4 298 B16R0.303 C=CCCCCCCSCCCCCCOC 62a_100011998445_100011215473 [1,0,0,0,0,0|3,0,0]=4 299 B16R0.303 C=CCCCCCNCCCCCCCCC 2230a_100000212291_100000700193 [1,0,0,0,0,0|2,0,0]=3 300 B16R0.303 C=CCCCCCNCCCCCCCCC 34a_100000212291_100000700193 [1,0,0,0,0,0|2,0,0]=3 301 B16R0.303 C=CCCCCCOCCCCCCCCBr 34a_100009813846_100000700193 [1,0,0,0,0,0|3,0,0]=4 302 B16R0.303 C=CCCCCCOCCCCCCCCBr 7a_100009813846_100000700193 [1,0,0,0,0,0|3,0,0]=4 303 B16R0.303 C=CCCCCCOCCCCCCCCC 34a_100000210712_100000700193 [1,0,0,0,0,0|2,0,0]=3 304 B16R0.303 C=CCCCCCOCCCCCCCCC 34a_100011216702_100011214924 [1,0,0,0,0,0|2,0,0]=3 305 B16R0.303 C=CCCCCCOCCCCCCCCC 7a_100000210712_100000700193 [1,0,0,0,0,0|2,0,0]=3 306 B16R0.303 C=CCCCCCOCCCCCCCCC 7a_100011216702_100000210328 [1,0,0,0,0,0|2,0,0]=3 307 B16R0.303 C=CCCCCCOCCCCCCCCCl 34a_100000033203_100000700193 [1,0,0,0,0,0|3,0,0]=4 308 B16R0.303 C=CCCCCCOCCCCCCCCCl 7a_100000033203_100000700193 [1,0,0,0,0,0|3,0,0]=4 309 B16R0.303 C=CCCCCNCCCCCCCCCC 2230a_100000684558_100011215482 [1,0,0,0,0,0|2,0,0]=3 310 B16R0.303 C=CCCCCNCCCCCCCCCC 2230a_100000703577_100000210320 [1,0,0,0,0,0|2,0,0]=3 311 B16R0.303 C=CCCCCNCCCCCCCCCC 34a_100000684558_100011215482 [1,0,0,0,0,0|2,0,0]=3 312 B16R0.303 C=CCCCCNCCCCCCCCCC 34a_100000703577_100000210320 [1,0,0,0,0,0|2,0,0]=3 313 B16R0.303 C=CCCCCOCCCCCCCCCBr 34a_100009813782_100011215482 [1,0,0,0,0,0|3,0,0]=4 314 B16R0.303 C=CCCCCOCCCCCCCCCBr 7a_100009813782_100011215482 [1,0,0,0,0,0|3,0,0]=4 315 B16R0.303 C=CCCCCOCCCCCCCCCC 34a_100000210711_100011215482 [1,0,0,0,0,0|2,0,0]=3 316 B16R0.303 C=CCCCCOCCCCCCCCCC 34a_100000766645_100000210320 [1,0,0,0,0,0|2,0,0]=3 317 B16R0.303 C=CCCCCOCCCCCCCCCC 7a_100000210711_100011215482 [1,0,0,0,0,0|2,0,0]=3 318 B16R0.303 C=CCCCCOCCCCCCCCCC 7a_100000766645_100000210320 [1,0,0,0,0,0|2,0,0]=3 319 B16R0.303 C=CCCCCOCCCCCCCCCCl 34a_100009868337_100011215482 [1,0,0,0,0,0|3,0,0]=4 320 B16R0.303 C=CCCCCOCCCCCCCCCCl 7a_100009868337_100011215482 [1,0,0,0,0,0|3,0,0]=4 321 B16R0.303 C=CCCCNCCCCCCCCCCC 2230a_100000700776_100011215454 [1,0,0,0,0,0|2,0,0]=3 322 B16R0.303 C=CCCCNCCCCCCCCCCC 2230a_200011215754_100011713584 [1,0,0,0,0,0|2,0,0]=3 323 B16R0.303 C=CCCCNCCCCCCCCCCC 34a_100000700776_100011215454 [1,0,0,0,0,0|2,0,0]=3 324 B16R0.303 C=CCCCNCCCCCCCCCCC 34a_200011215754_100000757094 [1,0,0,0,0,0|2,0,0]=3 325 B16R0.303 C=CCCCOCCCCCCCCCCBr 34a_100009813290_100000757094 [1,0,0,0,0,0|3,0,0]=4 326 B16R0.303 C=CCCCOCCCCCCCCCCBr 7a_100009813290_100000757094 [1,0,0,0,0,0|3,0,0]=4 327 B16R0.303 C=CCCCOCCCCCCCCCCC 34a_100000210809_100000757094 [1,0,0,0,0,0|2,0,0]=3 328 B16R0.303 C=CCCCOCCCCCCCCCCC 34a_100000758997_100011215454 [1,0,0,0,0,0|2,0,0]=3 329 B16R0.303 C=CCCCOCCCCCCCCCCC 7a_100000210809_100000757094 [1,0,0,0,0,0|2,0,0]=3 330 B16R0.303 C=CCCCOCCCCCCCCCCC 7a_100000758997_100011215454 [1,0,0,0,0,0|2,0,0]=3 331 B16R0.303 C=CCCCOCCCCCCCCCCCl 34a_200000033068_100000757094 [1,0,0,0,0,0|3,0,0]=4 332 B16R0.303 C=CCCCOCCCCCCCCCCCl 7a_200000033068_100000757094 [1,0,0,0,0,0|3,0,0]=4 333 B16R0.303 C=CCCNCCCCCCCCCCCC 2230a_100000210451_100000754431 [1,0,0,0,0,0|2,0,0]=3 334 B16R0.303 C=CCCNCCCCCCCCCCCC 2230a_100015191253_100011215052 [1,0,0,0,0,0|2,0,0]=3 335 B16R0.303 C=CCCNCCCCCCCCCCCC 270004a_100015191253_100011218549 [1,0,0,0,0,0|2,0,0]=3 336 B16R0.303 C=CCCNCCCCCCCCCCCC 34a_100000210451_100000754431 [1,0,0,0,0,0|2,0,0]=3 337 B16R0.303 C=CCCOCCCCCCCCCCCBr 34a_100009812471_100000754431 [1,0,0,0,0,0|3,0,0]=4 338 B16R0.303 C=CCCOCCCCCCCCCCCBr 7a_100009812471_100000754431 [1,0,0,0,0,0|3,0,0]=4 339 B16R0.303 C=CCCOCCCCCCCCCCCC 34a_100000210810_100000754431 [1,0,0,0,0,0|2,0,0]=3 340 B16R0.303 C=CCCOCCCCCCCCCCCC 34a_100011205117_100000759014 [1,0,0,0,0,0|2,0,0]=3 341 B16R0.303 C=CCCOCCCCCCCCCCCC 7a_100000210810_100000754431 [1,0,0,0,0,0|2,0,0]=3 342 B16R0.303 C=CCNCCCCCCCCCCCCC 2230a_100011215765_100000210623 [1,0,0,0,0,0|2,0,0]=3 343 B16R0.303 C=CCNCCCCCCCCCCCCC 2230a_100020586998_100000210684 [1,0,0,0,0,0|2,0,0]=3 344 B16R0.303 C=CCNCCCCCCCCCCCCC 270004a_100020586998_200011215488 [1,0,0,0,0,0|2,0,0]=3 345 B16R0.303 C=CCNCCCCCCCCCCCCC 34a_100011215765_100015514636 [1,0,0,0,0,0|2,0,0]=3 346 B16R0.303 C=CCOCCCCCCCCCCCCBr 34a_100009813331_100015514636 [1,0,0,0,0,0|3,0,0]=4 347 B16R0.303 C=CCOCCCCCCCCCCCCBr 7a_100009813331_100015514636 [1,0,0,0,0,0|3,0,0]=4 348 B16R0.303 C=CCOCCCCCCCCCCCCC 34a_100000185773_100015514636 [1,0,0,0,0,0|2,0,0]=3 349 B16R0.303 C=CCOCCCCCCCCCCCCC 34a_200000210373_100000210684 [1,0,0,0,0,0|2,0,0]=3 350 B16R0.303 C=CCOCCCCCCCCCCCCC 7a_100000185773_100015514636 [1,0,0,0,0,0|2,0,0]=3 351 B16R0.303 C=CCOCCSCCCCCCCCCC 34a_100011628728_100015514636 [1,0,0,0,0,0|3,0,0]=4 352 B16R0.303 C=CCOCCSCCCCCCCCCC 7a_100011628728_100015514636 [1,0,0,0,0,0|3,0,0]=4 353 B16R0.303 C=COCCSCCCCCCCCCCC 62a_100000039644_100011215454 [1,0,0,0,0,0|3,0,0]=4 354 B16R0.303 CC=CCCCOCCCCCCCCCC 34a_100020645299_100000210320 [1,0,0,0,0,0|2,0,1]=4 355 B16R0.303 CC=CCNCCCCCCCCCCCC 2230a_100000210451_100000070051 [1,0,0,0,0,0|2,0,1]=4 356 B16R0.303 CC=CCNCCCCCCCCCCCC 34a_100000210451_100000070051 [1,0,0,0,0,0|2,0,1]=4 357 B16R0.303 CC=CCOCCCCCCCCCCCC 34a_100000210810_100000070051 [1,0,0,0,0,0|2,0,1]=4 358 B16R0.303 CC=CCOCCCCCCCCCCCC 7a_100000210810_100000070051 [1,0,0,0,0,0|2,0,1]=4 359 B16R0.303 CCCCCCCCCCCCCCCNC 2230a_106832991635_100000210322 [1,0,0,0,0,0|2,0,0]=3 360 B16R0.303 CCCCCCCCCCCCCCCNC 2230a_200000297553_200000210301 [1,0,0,0,0,0|2,0,0]=3 361 B16R0.303 CCCCCCCCCCCCCCCNC 270004a_106832991635_100012088177 [1,0,0,0,0,0|2,0,0]=3 362 B16R0.303 CCCCCCCCCCCCCCCNC 34a_100102657272_100000210322 [1,0,0,0,0,0|2,0,0]=3 363 B16R0.303 CCCCCCCCCCCCCCCNC 34a_200000297553_200000210301 [1,0,0,0,0,0|2,0,0]=3 364 B16R0.303 CCCCCCCCCCCCCCCNC 7a_106832991635_100000210322 [1,0,0,0,0,0|2,0,0]=3 365 B16R0.303 CCCCCCCCCCCCCCCN[13CH3] 2230a_200000297553_200025704644 [1,0,0,0,0,0|2,0,0]=3 366 B16R0.303 CCCCCCCCCCCCCCCN[13CH3] 34a_200000297553_200025704644 [1,0,0,0,0,0|2,0,0]=3 367 B16R0.303 CCCCCCCCCCCCCCCOC 34a_100000272386_200000210301 [1,0,0,0,0,0|2,0,0]=3 368 B16R0.303 CCCCCCCCCCCCCCCOC 34a_100138415774_100000210322 [1,0,0,0,0,0|2,0,0]=3 369 B16R0.303 CCCCCCCCCCCCCCCOC 7a_100000272386_200000210301 [1,0,0,0,0,0|2,0,0]=3 370 B16R0.303 CCCCCCCCCCCCCCCO[13CH3] 34a_100000272386_200025704644 [1,0,0,0,0,0|2,0,0]=3 371 B16R0.303 CCCCCCCCCCCCCCCO[13CH3] 7a_100000272386_200025704644 [1,0,0,0,0,0|2,0,0]=3 372 B16R0.303 CCCCCCCCCCCCCCNCC 2230a_100011217771_100000210202 [1,0,0,0,0,0|2,0,1]=4 373 B16R0.303 CCCCCCCCCCCCCCNCC 2230a_100015525214_100011215471 [1,0,0,0,0,0|2,0,1]=4 374 B16R0.303 CCCCCCCCCCCCCCNCC 270004a_100015525214_200011216147 [1,0,0,0,0,0|2,0,1]=4 375 B16R0.303 CCCCCCCCCCCCCCNCC 34a_100011217771_100000210202 [1,0,0,0,0,0|2,0,1]=4 376 B16R0.303 CCCCCCCCCCCCCCNCF 34a_100011217771_100015361967 [1,0,0,0,0,0|2,0,1]=4 377 B16R0.303 CCCCCCCCCCCCCCOCC 34a_100000210739_100000210202 [1,0,0,0,0,0|2,0,1]=4 378 B16R0.303 CCCCCCCCCCCCCCOCC 34a_100121572206_100011215471 [1,0,0,0,0,0|2,0,1]=4 379 B16R0.303 CCCCCCCCCCCCCCOCC 7a_100000210739_100000210202 [1,0,0,0,0,0|2,0,1]=4 380 B16R0.303 CCCCCCCCCCCCCCOCF 34a_100000210739_100015361967 [1,0,0,0,0,0|2,0,1]=4 381 B16R0.303 CCCCCCCCCCCCCCOCF 7a_100000210739_100015361967 [1,0,0,0,0,0|2,0,1]=4 382 B16R0.303 CCCCCCCCCCCCCNCCC 2230a_100011215765_100000210303 [1,0,0,0,0,0|2,0,1]=4 383 B16R0.303 CCCCCCCCCCCCCNCCC 270004a_100020643023_200011215488 [1,0,0,0,0,0|2,0,1]=4 384 B16R0.303 CCCCCCCCCCCCCNCCC 34a_100011215765_100000210303 [1,0,0,0,0,0|2,0,1]=4 385 B16R0.303 CCCCCCCCCCCCCNCSC 2230a_100011215765_100011218213 [1,0,0,0,0,0|3,0,0]=4 386 B16R0.303 CCCCCCCCCCCCCNCSC 34a_100011215765_100011218213 [1,0,0,0,0,0|3,0,0]=4 387 B16R0.303 CCCCCCCCCCCCCOCCBr 34a_100000211926_100000210684 [1,0,0,0,0,0|2,0,1]=4 388 B16R0.303 CCCCCCCCCCCCCOCCC 34a_100000185773_100000210303 [1,0,0,0,0,0|2,0,1]=4 389 B16R0.303 CCCCCCCCCCCCCOCCC 34a_100000210258_100000210684 [1,0,0,0,0,0|2,0,1]=4 390 B16R0.303 CCCCCCCCCCCCCOCCC 7a_100000185773_100000210303 [1,0,0,0,0,0|2,0,1]=4 391 B16R0.303 CCCCCCCCCCCCCOCCF 34a_100000185773_100011217306 [1,0,0,0,0,0|2,0,1]=4 392 B16R0.303 CCCCCCCCCCCCCOCCF 7a_100000185773_100011217306 [1,0,0,0,0,0|2,0,1]=4 393 B16R0.303 CCCCCCCCCCCCCOCSC 34a_100000185773_100011218213 [1,0,0,0,0,0|3,0,0]=4 394 B16R0.303 CCCCCCCCCCCCCSCC#N 62a_100011215382_100011934334 [1,0,0,0,0,0|2,0,1]=4 395 B16R0.303 CCCCCCCCCCCCCSCC=O 62a_200015260668_100011934334 [1,0,0,0,0,0|1,0,0]=2 396 B16R0.303 CCCCCCCCCCCCCSCCO 62a_100000211926_100011934334 [1,0,0,0,0,0|1,0,1]=3 397 B16R0.303 CCCCCCCCCCCCCSCOC 62a_100000766300_100011934334 [1,0,0,0,0,0|3,0,0]=4 398 B16R0.303 CCCCCCCCCCCCNCCCC 2230a_100000102301_100011215052 [1,0,0,0,0,0|2,0,1]=4 399 B16R0.303 CCCCCCCCCCCCNCCCC 2230a_100000210451_100000210211 [1,0,0,0,0,0|2,0,1]=4 400 B16R0.303 CCCCCCCCCCCCNCCCC 270004a_100000102301_100011218549 [1,0,0,0,0,0|2,0,1]=4 401 B16R0.303 CCCCCCCCCCCCNCCCC 34a_100000210451_100000210210 [1,0,0,0,0,0|2,0,1]=4 402 B16R0.303 CCCCCCCCCCCCNCCCC 7a_106832991798_100000759014 [1,0,0,0,0,0|2,0,1]=4 403 B16R0.303 CCCCCCCCCCCCOCCCBr 34a_100011217188_100000759014 [1,0,0,0,0,0|2,0,1]=4 404 B16R0.303 CCCCCCCCCCCCOCCCC 34a_100000210227_100000759014 [1,0,0,0,0,0|2,0,1]=4 405 B16R0.303 CCCCCCCCCCCCOCCCC 34a_100000210810_100000210210 [1,0,0,0,0,0|2,0,1]=4 406 B16R0.303 CCCCCCCCCCCCOCCCC 7a_100000210227_100000759014 [1,0,0,0,0,0|2,0,1]=4 407 B16R0.303 CCCCCCCCCCCCOCCCC 7a_100000210810_100000210211 [1,0,0,0,0,0|2,0,1]=4 408 B16R0.303 CCCCCCCCCCCCOCCCCl 34a_100000230001_100000759014 [1,0,0,0,0,0|2,0,1]=4 409 B16R0.303 CCCCCCCCCCCCOCCCF 34a_100000210810_100011934791 [1,0,0,0,0,0|2,0,1]=4 410 B16R0.303 CCCCCCCCCCCCOCCCF 34a_100000759539_100000759014 [1,0,0,0,0,0|2,0,1]=4 411 B16R0.303 CCCCCCCCCCCCOCCCF 7a_100000210810_100011934791 [1,0,0,0,0,0|2,0,1]=4 412 B16R0.303 CCCCCCCCCCCCOCCSC 34a_100000210810_100000212216 [1,0,0,0,0,0|3,0,0]=4 413 B16R0.303 CCCCCCCCCCCCOCCSC 34a_100000230434_100000759014 [1,0,0,0,0,0|3,0,0]=4 414 B16R0.303 CCCCCCCCCCCCOCCSC 7a_100000210810_100000212216 [1,0,0,0,0,0|3,0,0]=4 415 B16R0.303 CCCCCCCCCCCCOCCSC 7a_100000230434_100000759014 [1,0,0,0,0,0|3,0,0]=4 416 B16R0.303 CCCCCCCCCCCCSCCC#N 62a_100011215226_100000759014 [1,0,0,0,0,0|2,0,1]=4 417 B16R0.303 CCCCCCCCCCCCSCCCO 62a_100011215043_100000759014 [1,0,0,0,0,0|1,0,1]=3 418 B16R0.303 CCCCCCCCCCCCSCCOC 34a_100005618841_200000210301 [1,0,0,0,0,0|3,0,0]=4 419 B16R0.303 CCCCCCCCCCCCSCCOC 62a_100000233755_100000759014 [1,0,0,0,0,0|3,0,0]=4 420 B16R0.303 CCCCCCCCCCCCSCCOC 7a_100005618841_200000210301 [1,0,0,0,0,0|3,0,0]=4 421 B16R0.303 CCCCCCCCCCCCSCCO[13CH3] 34a_100005618841_200025704644 [1,0,0,0,0,0|3,0,0]=4 422 B16R0.303 CCCCCCCCCCCCSCCO[13CH3] 7a_100005618841_200025704644 [1,0,0,0,0,0|3,0,0]=4 423 B16R0.303 CCCCCCCCCCCNCCCCC 2230a_100000209983_100011215454 [1,0,0,0,0,0|2,0,1]=4 424 B16R0.303 CCCCCCCCCCCNCCCCC 2230a_200011215754_100000210326 [1,0,0,0,0,0|2,0,1]=4 425 B16R0.303 CCCCCCCCCCCNCCCCC 34a_200011215754_100000718602 [1,0,0,0,0,0|2,0,1]=4 426 B16R0.303 CCCCCCCCCCCOCCCCBr 34a_100011216708_100011215454 [1,0,0,0,0,0|2,0,1]=4 427 B16R0.303 CCCCCCCCCCCOCCCCC 34a_100000210253_100011215454 [1,0,0,0,0,0|2,0,1]=4 428 B16R0.303 CCCCCCCCCCCOCCCCC 34a_100000210809_100000718602 [1,0,0,0,0,0|2,0,1]=4 429 B16R0.303 CCCCCCCCCCCOCCCCC 7a_100000210253_100011215454 [1,0,0,0,0,0|2,0,1]=4 430 B16R0.303 CCCCCCCCCCCOCCCCC 7a_100000210809_100000210326 [1,0,0,0,0,0|2,0,1]=4 431 B16R0.303 CCCCCCCCCCCOCCCCCl 34a_100000210776_100011215454 [1,0,0,0,0,0|2,0,1]=4 432 B16R0.303 CCCCCCCCCCCOCCCCCl 7a_100000210776_100011215454 [1,0,0,0,0,0|2,0,1]=4 433 B16R0.303 CCCCCCCCCCCOCCCCF 34a_100000210809_100000729493 [1,0,0,0,0,0|2,0,1]=4 434 B16R0.303 CCCCCCCCCCCOCCCCF 34a_100011995726_100011215454 [1,0,0,0,0,0|2,0,1]=4 435 B16R0.303 CCCCCCCCCCCOCCCCF 7a_100000210809_100000729493 [1,0,0,0,0,0|2,0,1]=4 436 B16R0.303 CCCCCCCCCCCOCCCCF 7a_100011995726_100011215454 [1,0,0,0,0,0|2,0,1]=4 437 B16R0.303 CCCCCCCCCCCOCCCCI 34a_200012148704_100011215454 [1,0,0,0,0,0|2,0,1]=4 438 B16R0.303 CCCCCCCCCCCOCCCSC 34a_100000690336_100011215454 [1,0,0,0,0,0|3,0,0]=4 439 B16R0.303 CCCCCCCCCCCOCCCSC 7a_100000690336_100011215454 [1,0,0,0,0,0|3,0,0]=4 440 B16R0.303 CCCCCCCCCCCSCCCC#N 62a_100000687738_100011215454 [1,0,0,0,0,0|2,0,1]=4 441 B16R0.303 CCCCCCCCCCCSCCCC=O 62a_200011292268_100011215454 [1,0,0,0,0,0|1,0,0]=2 442 B16R0.303 CCCCCCCCCCCSCCCCO 62a_100000210776_100011215454 [1,0,0,0,0,0|1,0,1]=3 443 B16R0.303 CCCCCCCCCCCSCCCOC 62a_100000709357_100011215454 [1,0,0,0,0,0|3,0,0]=4 444 B16R0.303 CCCCCCCCCCNCCCCCC 2230a_100000210581_100000210320 [1,0,0,0,0,0|2,0,1]=4 445 B16R0.303 CCCCCCCCCCNCCCCCC 2230a_100000684558_100000210314 [1,0,0,0,0,0|2,0,1]=4 446 B16R0.303 CCCCCCCCCCNCCCCCC 34a_100000684558_100000210314 [1,0,0,0,0,0|2,0,1]=4 447 B16R0.303 CCCCCCCCCCOCCCCCBr 34a_100000746331_100000210320 [1,0,0,0,0,0|2,0,1]=4 448 B16R0.303 CCCCCCCCCCOCCCCCBr 7a_100000746331_100000210320 [1,0,0,0,0,0|2,0,1]=4 449 B16R0.303 CCCCCCCCCCOCCCCCC 34a_100000210259_100000210320 [1,0,0,0,0,0|2,0,1]=4 450 B16R0.303 CCCCCCCCCCOCCCCCC 34a_100000210711_100000210314 [1,0,0,0,0,0|2,0,1]=4 451 B16R0.303 CCCCCCCCCCOCCCCCC 7a_100000210259_100000210320 [1,0,0,0,0,0|2,0,1]=4 452 B16R0.303 CCCCCCCCCCOCCCCCC 7a_100000210711_100000210314 [1,0,0,0,0,0|2,0,1]=4 453 B16R0.303 CCCCCCCCCCOCCCCCCl 34a_100000746330_100000210320 [1,0,0,0,0,0|2,0,1]=4 454 B16R0.303 CCCCCCCCCCOCCCCCCl 7a_100000746330_100000210320 [1,0,0,0,0,0|2,0,1]=4 455 B16R0.303 CCCCCCCCCCOCCCCCF 34a_100000210711_100000729378 [1,0,0,0,0,0|2,0,1]=4 456 B16R0.303 CCCCCCCCCCOCCCCCF 7a_100000210711_100000729378 [1,0,0,0,0,0|2,0,1]=4 457 B16R0.303 CCCCCCCCCCOCCCCCI 34a_200012148887_100000210320 [1,0,0,0,0,0|2,0,1]=4 458 B16R0.303 CCCCCCCCCCOCCCCCI 7a_200012148887_100000210320 [1,0,0,0,0,0|2,0,1]=4 459 B16R0.303 CCCCCCCCCCOCCCCSC 34a_100011217163_100000210320 [1,0,0,0,0,0|3,0,0]=4 460 B16R0.303 CCCCCCCCCCOCCCCSC 7a_100011217163_100000210320 [1,0,0,0,0,0|3,0,0]=4 461 B16R0.303 CCCCCCCCCCSCCCCC#N 62a_100011219923_100000210320 [1,0,0,0,0,0|2,0,1]=4 462 B16R0.303 CCCCCCCCCCSCCCCC=O 62a_100000139335_100000210320 [1,0,0,0,0,0|1,0,0]=2 463 B16R0.303 CCCCCCCCCCSCCCCCO 62a_100000746330_100000210320 [1,0,0,0,0,0|1,0,1]=3 464 B16R0.303 CCCCCCCCCCSCCCCOC 62a_100000730899_100000210320 [1,0,0,0,0,0|3,0,0]=4 465 B16R0.303 CCCCCCCCCNCCCCCCC 2230a_100000212291_100000210681 [1,0,0,0,0,0|2,0,1]=4 466 B16R0.303 CCCCCCCCCNCCCCCCC 2230a_100000229938_100011214924 [1,0,0,0,0,0|2,0,1]=4 467 B16R0.303 CCCCCCCCCNCCCCCCC 34a_100000212291_100000210614 [1,0,0,0,0,0|2,0,1]=4 468 B16R0.303 CCCCCCCCCOCCCCCCBr 34a_100011215345_100011214924 [1,0,0,0,0,0|2,0,1]=4 469 B16R0.303 CCCCCCCCCOCCCCCCBr 7a_100011215345_100000210328 [1,0,0,0,0,0|2,0,1]=4 470 B16R0.303 CCCCCCCCCOCCCCCCC 34a_100000210272_100011214924 [1,0,0,0,0,0|2,0,1]=4 471 B16R0.303 CCCCCCCCCOCCCCCCC 34a_100000210712_100000210614 [1,0,0,0,0,0|2,0,1]=4 472 B16R0.303 CCCCCCCCCOCCCCCCC 7a_100000210272_100000210328 [1,0,0,0,0,0|2,0,1]=4 473 B16R0.303 CCCCCCCCCOCCCCCCC 7a_100000210712_100000210614 [1,0,0,0,0,0|2,0,1]=4 474 B16R0.303 CCCCCCCCCOCCCCCCCl 34a_100000766143_100011214924 [1,0,0,0,0,0|2,0,1]=4 475 B16R0.303 CCCCCCCCCOCCCCCCCl 7a_100000766143_100000210328 [1,0,0,0,0,0|2,0,1]=4 476 B16R0.303 CCCCCCCCCOCCCCCCF 34a_100000210712_100015922095 [1,0,0,0,0,0|2,0,1]=4 477 B16R0.303 CCCCCCCCCOCCCCCCF 34a_100000732779_100011214924 [1,0,0,0,0,0|2,0,1]=4 478 B16R0.303 CCCCCCCCCOCCCCCCF 7a_100000210712_100015922095 [1,0,0,0,0,0|2,0,1]=4 479 B16R0.303 CCCCCCCCCOCCCCCCF 7a_100000732779_100000210328 [1,0,0,0,0,0|2,0,1]=4 480 B16R0.303 CCCCCCCCCSCCCCCC#N 62a_100009813376_100000210670 [1,0,0,0,0,0|2,0,1]=4 481 B16R0.303 CCCCCCCCCSCCCCCC=O 62a_100000139337_100000210670 [1,0,0,0,0,0|1,0,0]=2 482 B16R0.303 CCCCCCCCCSCCCCCCO 62a_100000766143_100000210670 [1,0,0,0,0,0|1,0,1]=3 483 B16R0.303 CCCCCCCCNCCCCCCCC 2230a_100000229939_100000210759 [1,0,0,0,0,0|2,0,1]=4 484 B16R0.303 CCCCCCCCNCCCCCCCC 34a_100000229939_100000210759 [1,0,0,0,0,0|2,0,1]=4 485 B16R0.303 CCCCCCCCOCCCCCCCBr 34a_100000760002_100000210759 [1,0,0,0,0,0|2,0,1]=4 486 B16R0.303 CCCCCCCCOCCCCCCCBr 7a_100000760002_100000210759 [1,0,0,0,0,0|2,0,1]=4 487 B16R0.303 CCCCCCCCOCCCCCCCC 34a_100000210232_100000210759 [1,0,0,0,0,0|2,0,1]=4 488 B16R0.303 CCCCCCCCOCCCCCCCC 7a_100000210232_100000210759 [1,0,0,0,0,0|2,0,1]=4 489 B16R0.303 CCCCCCCCSCCCCCCC#N 62a_100000210759_100009813337 [1,0,0,0,0,0|2,0,1]=4 490 B16R0.303 CCCCCCCCSCCCCCCC#N 62a_100009813337_100000210317 [1,0,0,0,0,0|2,0,1]=4 491 B16R0.303 CCCCCCCCSCCCCCCCO 62a_100000210759_100000760002 [1,0,0,0,0,0|1,0,1]=3 492 B16R0.303 CCCCCCCCSCCCCCCCO 62a_100000760002_100000210317 [1,0,0,0,0,0|1,0,1]=3 493 B16R0.303 CCCCCCCCSCCCCCCOC 62a_100000210759_100011998445 [1,0,0,0,0,0|3,0,0]=4 494 B16R0.303 CCCCCCCCSCCCCCCOC 62a_100011998445_100000210317 [1,0,0,0,0,0|3,0,0]=4 495 B16R0.303 CCCCCCCOCCCCCCCCBr 34a_100009813846_100000210614 [1,0,0,0,0,0|2,0,1]=4 496 B16R0.303 CCCCCCCOCCCCCCCCBr 7a_100009813846_100000210614 [1,0,0,0,0,0|2,0,1]=4 497 B16R0.303 CCCCCCCOCCCCCCCCCl 34a_100000033203_100000210614 [1,0,0,0,0,0|2,0,1]=4 498 B16R0.303 CCCCCCCOCCCCCCCCCl 7a_100000033203_100000210614 [1,0,0,0,0,0|2,0,1]=4 499 B16R0.303 CCCCCCCSCCCCCCCCO 62a_100000033203_100000210316 [1,0,0,0,0,0|1,0,1]=3 500 B16R0.303 CCCCCCCSCCCCCCCCO 62a_100000210614_100000033203 [1,0,0,0,0,0|1,0,1]=3 501 B16R0.303 CCCCCCOCCCCCCCCCBr 34a_100009813782_100000210314 [1,0,0,0,0,0|2,0,1]=4 502 B16R0.303 CCCCCCOCCCCCCCCCBr 7a_100009813782_100000210314 [1,0,0,0,0,0|2,0,1]=4 503 B16R0.303 CCCCCCOCCCCCCCCCCl 34a_100009868337_100000210314 [1,0,0,0,0,0|2,0,1]=4 504 B16R0.303 CCCCCCOCCCCCCCCCCl 7a_100009868337_100000210314 [1,0,0,0,0,0|2,0,1]=4 505 B16R0.303 CCCCCCSCCCCCCCCCO 62a_100000210314_100009813782 [1,0,0,0,0,0|1,0,1]=3 506 B16R0.303 CCCCCCSCCCCCCCCCO 62a_100009813782_100000210757 [1,0,0,0,0,0|1,0,1]=3 507 B16R0.303 CCCCCOCCCCCCCCCCBr 34a_100009813290_100000718602 [1,0,0,0,0,0|2,0,1]=4 508 B16R0.303 CCCCCOCCCCCCCCCCBr 7a_100009813290_100000210326 [1,0,0,0,0,0|2,0,1]=4 509 B16R0.303 CCCCCOCCCCCCCCCCCl 34a_200000033068_100000718602 [1,0,0,0,0,0|2,0,1]=4 510 B16R0.303 CCCCCOCCCCCCCCCCCl 7a_200000033068_100000210326 [1,0,0,0,0,0|2,0,1]=4 511 B16R0.303 CCCCCSCCCCCCCCCCO 62a_100000210326_200000033068 [1,0,0,0,0,0|1,0,1]=3 512 B16R0.303 CCCCCSCCCCCCCCCCO 62a_100009813290_100000210326 [1,0,0,0,0,0|1,0,1]=3 513 B16R0.303 CCCCOCCCCCCCCCCCBr 34a_100009812471_100000210210 [1,0,0,0,0,0|2,0,1]=4 514 B16R0.303 CCCCOCCCCCCCCCCCBr 7a_100009812471_100000210211 [1,0,0,0,0,0|2,0,1]=4 515 B16R0.303 CCCCSCCCCCCCCCCCO 62a_100009812471_100000210210 [1,0,0,0,0,0|1,0,1]=3 516 B16R0.303 CCCOCCCCCCCCCCCCBr 34a_100009813331_100000210303 [1,0,0,0,0,0|2,0,1]=4 517 B16R0.303 CCCOCCCCCCCCCCCCBr 7a_100009813331_100000210303 [1,0,0,0,0,0|2,0,1]=4 518 B16R0.303 CCCSCCCCCCCCCCCCO 62a_100009813331_100000210303 [1,0,0,0,0,0|1,0,1]=3 519 B16R0.303 CCOCCCCCCCCCCCCCBr 34a_100009812470_100000210202 [1,0,0,0,0,0|2,0,1]=4 520 B16R0.303 CCOCCCCCCCCCCCCCBr 7a_100009812470_100000210202 [1,0,0,0,0,0|2,0,1]=4 521 B16R0.303 CCSCCCCCCCCCCCCCO 62a_100009812470_100000210202 [1,0,0,0,0,0|1,0,1]=3 522 B16R0.303 COCCCCCCCCCCCCCCBr 34a_100009828009_200000210301 [1,0,0,0,0,0|2,0,1]=4 523 B16R0.303 COCCCCCCCCCCCCCCBr 7a_100009828009_200000210301 [1,0,0,0,0,0|2,0,1]=4 524 B16R0.303 [13CH3]OCCCCCCCCCCCCCCBr 34a_100009828009_200025704644 [1,0,0,0,0,0|2,0,1]=4 525 B16R0.303 [13CH3]OCCCCCCCCCCCCCCBr 7a_100009828009_200025704644 [1,0,0,0,0,0|2,0,1]=4 526 B18R0.2 CCCCC(C)CCCCOCCCCSC(=O)C 34a_200011021034_200010402107 [0,1,0,0,0,0|3,0,0]=4 527 B18R0.2 CCCCC(C)CCCCOCCCCSC(=O)C 7a_200011021034_200010402107 [0,1,0,0,0,0|3,0,0]=4 528 B18R0.94 CCCCCCCCC(C)COCCCCC(=O)C 34a_200012125181_100009817362 [0,1,0,0,0,0|2,0,0]=3 529 B18R0.94 CCCCCCCCC(C)COCCCCC(=O)C 7a_200012125181_100000735457 [0,1,0,0,0,0|2,0,0]=3 530 B18R0.94 CCCCCCCCC(C)COCCCSC(=O)C 34a_200012125181_100000038929 [0,1,0,0,0,0|3,0,0]=4 531 B18R0.94 CCCCCCCCC(C)COCCCSC(=O)C 7a_200012125181_100000038929 [0,1,0,0,0,0|3,0,0]=4 532 B18R0.94 CCCCCCCCC(C)OCCCCSC(=O)C 34a_100000210740_200010402107 [0,1,0,0,0,0|3,0,0]=4 533 B18R0.94 CCCCCCCCC(C)OCCCCSC(=O)C 7a_100000210740_200010402107 [0,1,0,0,0,0|3,0,0]=4 534 B18R0.114 CCC(=O)CCCCCCCCCCCSC(=O)C 1458a_100000210414_100010140907 [0,1,0,0,0,0|2,0,1]=4 535 B18R0.127 CCCCCCC(C)CCOCCCCSC(=O)C 34a_200011024964_200010402107 [0,1,0,0,0,0|3,0,0]=4 536 B18R0.127 CCCCCCC(C)CCOCCCCSC(=O)C 7a_200011024964_200010402107 [0,1,0,0,0,0|3,0,0]=4 537 B18R0.171 C#CC(=O)CCCCCCCCCCCCCC=C 1458a_100000211873_102495333938 [0,1,0,0,0,0|1,0,2]=4 538 B18R0.171 C#CC(=O)CCCCCCCCCCCCCCC 1458a_100000211873_100000210322 [0,1,0,0,0,0|1,0,0]=2 539 B18R0.171 C#CC(O)CCCCCSCCCCCCCCC 62a_200010408556_100000210670 [0,1,0,0,0,0|2,0,1]=4 540 B18R0.171 C=C(C#N)COCCCCCCCCCCCCC 34a_100000185773_100000694840 [0,1,0,0,0,0|3,0,0]=4 541 B18R0.171 CCCCCC/C=C\CCCCCCCC(=O)CF 1458a_100020587579_100015361967 [0,1,0,0,0,0|1,0,2]=4 542 B18R0.171 CCCCCCCCCCCCCCCC(=O)NC 11a_106832991635_100000610636 [0,1,0,0,0,0|1,0,0]=2 543 B18R0.171 CCCCCCCCCCCCCCCC(=O)NC 1626a_100102657272_100000610636 [0,1,0,0,0,0|1,0,0]=2 544 B18R0.171 CCCCCCCCCCCCCCCC(=O)NC 240690a_100102657272_100000610636 [0,1,0,0,0,0|1,0,0]=2 545 B18R0.171 CCCCCCCCCCCCCCNC(=O)CC 11a_100011217771_100000210414 [0,1,0,0,0,0|2,0,0]=3 546 B18R0.171 CCCCCCCCCCCCCCNC(=O)CC 1626a_100011217771_100000210414 [0,1,0,0,0,0|2,0,0]=3 547 B18R0.171 CCCCCCCCCCCCCCNC(=O)CC 240690a_100011217771_100000210414 [0,1,0,0,0,0|2,0,0]=3 548 B18R0.171 CCCCCCCCCCCCCCNC(=O)CC 527a_100011217771_100000210414 [0,1,0,0,0,0|2,0,0]=3 549 B18R0.171 CCCCCCCCCCCCCSCC(=O)OC 62a_100000747449_100011934334 [0,1,0,0,0,0|1,0,0]=2 550 B18R0.171 CCCCCCCCCCCCSCCC(=O)OC 62a_100000204255_100000759014 [0,1,0,0,0,0|1,0,0]=2 551 B18R0.171 CCCCCCCCCCCSCCCC(=O)OC 62a_100011218270_100011215454 [0,1,0,0,0,0|1,0,0]=2 552 B18R0.171 CCCCCCCCCCSCCCCC(=O)OC 62a_100000204269_100000210320 [0,1,0,0,0,0|1,0,0]=2 553 B18R0.171 CCCCCCCCCSCCCCCC(=O)OC 62a_100009816466_100000210670 [0,1,0,0,0,0|1,0,0]=2 554 B18R0.171 CCCCCCCCSCCCCCCC(=O)OC 62a_100000210759_100009815986 [0,1,0,0,0,0|1,0,0]=2 555 B18R0.171 CCCCCCCCSCCCCCCC(=O)OC 62a_100009815986_100000210317 [0,1,0,0,0,0|1,0,0]=2 556 B18R0.171 CCCCCCCSCCCCCCCC(=O)OC 62a_100000210614_100010004213 [0,1,0,0,0,0|1,0,0]=2 557 B18R0.171 CCCCCCCSCCCCCCCC(=O)OC 62a_100010004213_100000210316 [0,1,0,0,0,0|1,0,0]=2 558 B18R0.171 CCCCCCSCCCCCCCCC(=O)OC 62a_100000210314_100010282707 [0,1,0,0,0,0|1,0,0]=2 559 B18R0.171 CCCCCCSCCCCCCCCC(=O)OC 62a_100010282707_100000210757 [0,1,0,0,0,0|1,0,0]=2 560 B18R0.171 CCCCCSCCCCCCCCCC(=O)OC 62a_100000210326_100009813843 [0,1,0,0,0,0|1,0,0]=2 561 B18R0.171 CCCCSCCCCCCCCCCC(=O)OC 62a_100000210211_100009812566 [0,1,0,0,0,0|1,0,0]=2 562 B18R0.171 CCCSCCCCCCCCCCCC(=O)OC 62a_100000210303_100010983606 [0,1,0,0,0,0|1,0,0]=2 563 B18R0.171 CCSCCCCCCCCCCCCC(=O)OC 62a_100000210202_209314222159 [0,1,0,0,0,0|1,0,0]=2 564 B18R0.171 COC(=O)CCCCCCCCCCCCSCF 62a_100015361967_209314222159 [0,1,0,0,0,0|2,0,0]=3 565 B18R0.171 COC(=O)CCCCCCCCCCCSCSC 62a_100011218213_100010983606 [0,1,0,0,0,0|2,0,0]=3 566 B18R0.174 C=C(C)C(C)NCCCCCCCCCCCCC 269862a_100011215765_100011216138 [0,1,0,0,0,0|3,0,0]=4 567 B18R0.174 CC(=O)C(C)OCCCCCCCCCCCCBr 7a_100009813331_100000179758 [0,1,0,0,0,0|3,0,0]=4 568 B18R0.174 CCCCCCCCCCCCCCC(=O)[C@@H](C)O 1458a_100000717761_100011215471 [0,1,0,0,0,0|1,0,2]=4 569 B18R0.174 CCCCCCCCCCCCCCC(=O)[C@H](C)O 1458a_217856618621_100011215471 [0,1,0,0,0,0|1,0,2]=4 570 B18R0.174 CCCCCCCCCCCCCOC(C)C(=O)C 34a_100000212229_100000210684 [0,1,0,0,0,0|2,0,0]=3 571 B18R0.174 CCCCCCCCCCCCCOC(C)C(=O)C 7a_100000185773_100000179758 [0,1,0,0,0,0|2,0,0]=3 572 B18R0.174 CCCCCCCCCCCCOCC(C)C(=O)C 34a_100000032740_100000759014 [0,1,0,0,0,0|2,0,0]=3 573 B18R0.174 CCCCCCCCCCCCOCC(C)C(=O)C 7a_100000032740_100000759014 [0,1,0,0,0,0|2,0,0]=3 574 B18R0.176 CC(=O)SCCCCCCCCCCCOCCBr 34a_100000211926_100010140907 [0,1,0,0,0,0|3,0,0]=4 575 B18R0.176 CC(=O)SCCCCCCCCCCCSCCF 62a_100010140907_100011217306 [0,1,0,0,0,0|3,0,0]=4 576 B18R0.176 CC(=O)SCCCCCCCCCCCSCCF 62a_100011217306_100010140907 [0,1,0,0,0,0|3,0,0]=4 577 B18R0.176 CC(=O)SCCCCOCCCCCCCCCBr 34a_100009813782_200010402107 [0,1,0,0,0,0|3,0,0]=4 578 B18R0.176 CC(=O)SCCCCOCCCCCCCCCBr 7a_100009813782_200010402107 [0,1,0,0,0,0|3,0,0]=4 579 B18R0.176 CC(=O)SCCCCOCCCCCCCCCCl 34a_100009868337_200010402107 [0,1,0,0,0,0|3,0,0]=4 580 B18R0.176 CC(=O)SCCCCOCCCCCCCCCCl 7a_100009868337_200010402107 [0,1,0,0,0,0|3,0,0]=4 581 B18R0.176 CC(=O)SCCCOCCCCCCCCCCBr 34a_100009813290_100000038929 [0,1,0,0,0,0|3,0,0]=4 582 B18R0.176 CC(=O)SCCCOCCCCCCCCCCBr 7a_100009813290_100000038929 [0,1,0,0,0,0|3,0,0]=4 583 B18R0.176 CC(=O)SCCCOCCCCCCCCCCCl 34a_200000033068_100000038929 [0,1,0,0,0,0|3,0,0]=4 584 B18R0.176 CC(=O)SCCCOCCCCCCCCCCCl 7a_200000033068_100000038929 [0,1,0,0,0,0|3,0,0]=4 585 B18R0.176 CCCCC#CCCCCCCSCCCC(=O)C 62a_100011215641_200000043322 [0,1,0,0,0,0|1,0,2]=4 586 B18R0.176 CCCCC#CCCCCCCSCCCC(=O)C 62a_200000043322_100011215641 [0,1,0,0,0,0|1,0,2]=4 587 B18R0.176 CCCCCCCC/C=C/COCCCCC(=O)C 34a_200020667288_100009817362 [0,1,0,0,0,0|1,0,2]=4 588 B18R0.176 CCCCCCCC/C=C/COCCCCC(=O)C 7a_200020667288_100000735457 [0,1,0,0,0,0|1,0,2]=4 589 B18R0.176 CCCCCCCCC/C=C/COCCCC(=O)C 34a_100015232335_100000685027 [0,1,0,0,0,0|1,0,2]=4 590 B18R0.176 CCCCCCCCC/C=C/COCCCC(=O)C 7a_100015232335_100011215641 [0,1,0,0,0,0|1,0,2]=4 591 B18R0.176 CCCCCCCCCC/C=C/COCCC(=O)C 7a_200025761149_100000053229 [0,1,0,0,0,0|1,0,2]=4 592 B18R0.176 CCCCCCCCCCCCCCCNC(=O)C 11a_200000297553_100015343762 [0,1,0,0,0,0|1,0,0]=2 593 B18R0.176 CCCCCCCCCCCCCCCNC(=O)C 1626a_200000297553_100015343762 [0,1,0,0,0,0|1,0,0]=2 594 B18R0.176 CCCCCCCCCCCCCCCNC(=O)C 240690a_200000297553_100015343762 [0,1,0,0,0,0|1,0,0]=2 595 B18R0.176 CCCCCCCCCCCCCCCNC(=O)C 527a_200000297553_100103153847 [0,1,0,0,0,0|1,0,0]=2 596 B18R0.176 CCCCCCCCCCCCCNCC=C(C)C 2230a_100011215765_100000761012 [0,1,0,0,0,0|2,0,1]=4 597 B18R0.176 CCCCCCCCCCCCCNCC=C(C)C 270004a_100000718196_200011215488 [0,1,0,0,0,0|2,0,1]=4 598 B18R0.176 CCCCCCCCCCCCCNCC=C(C)C 34a_100000718196_100000210684 [0,1,0,0,0,0|2,0,1]=4 599 B18R0.176 CCCCCCCCCCCCCNCC=C(C)C 34a_100011215765_100000761012 [0,1,0,0,0,0|2,0,1]=4 600 B18R0.176 CCCCCCCCCCCCCSCOC(=O)C 62a_100000076356_100011934334 [0,1,0,0,0,0|2,0,0]=3 601 B18R0.176 CCCCCCCCCCCCNCCC=C(C)C 2230a_100000210451_100011217483 [0,1,0,0,0,0|2,0,1]=4 602 B18R0.176 CCCCCCCCCCCCNCCC=C(C)C 34a_100000210451_100011217483 [0,1,0,0,0,0|2,0,1]=4 603 B18R0.176 CCCCCCCCCCCCNCCC=C(F)F 2230a_100000210451_200009816681 [0,1,0,0,0,0|2,0,1]=4 604 B18R0.176 CCCCCCCCCCCCNCCC=C(F)F 34a_100000210451_200009816681 [0,1,0,0,0,0|2,0,1]=4 605 B18R0.176 CCCCCCCCCCCCSCCOC(=O)C 62a_100009814007_100000759014 [0,1,0,0,0,0|2,0,0]=3 606 B18R0.176 CCCCCCCCCCCOCCCOC(=S)C 34a_100000210809_200135323944 [0,1,0,0,0,0|2,1,0]=4 607 B18R0.176 CCCCCCCCCCCOCCCOC(=S)C 7a_100000210809_200135323944 [0,1,0,0,0,0|2,1,0]=4 608 B18R0.176 CCCCCCCCCCCOCCCSC(=O)C 34a_100000210809_100000038929 [0,1,0,0,0,0|2,0,0]=3 609 B18R0.176 CCCCCCCCCCCOCCCSC(=O)C 7a_100000210809_100000038929 [0,1,0,0,0,0|2,0,0]=3 610 B18R0.176 CCCCCCCCCCCSCCCOC(=O)C 62a_100000042594_100011215454 [0,1,0,0,0,0|2,0,0]=3 611 B18R0.176 CCCCCCCCCCCSCCCSC(=O)C 62a_100000038929_100011215454 [0,1,0,0,0,0|2,0,0]=3 612 B18R0.176 CCCCCCCCCCOCCCCSC(=O)C 34a_100000210711_200010402107 [0,1,0,0,0,0|2,0,0]=3 613 B18R0.176 CCCCCCCCCCOCCCCSC(=O)C 7a_100000210711_200010402107 [0,1,0,0,0,0|2,0,0]=3 614 B18R0.176 CCCCCCCCCCSCCCCOC(=O)C 62a_100000033659_100000210320 [0,1,0,0,0,0|2,0,0]=3 615 B18R0.176 CCCCCCCCCCSCCCCSC(=O)C 62a_200010402107_100000210320 [0,1,0,0,0,0|2,0,0]=3 616 B18R0.176 CCCCCCCCCSCCCCCOC(=O)C 62a_100000033007_100000210670 [0,1,0,0,0,0|2,0,0]=3 617 B18R0.176 CCCOCCCCCCCCCCCSC(=O)C 34a_100000210258_100010140907 [0,1,0,0,0,0|2,0,0]=3 618 B18R0.176 CCCSCCCCCCCCCCCSC(=O)C 62a_100000210303_100010140907 [0,1,0,0,0,0|2,0,0]=3 619 B18R0.176 CCCSCCCCCCCCCCCSC(=O)C 62a_100010140907_100000210303 [0,1,0,0,0,0|2,0,0]=3 620 B18R0.176 COCSCCCCCCCCCCCSC(=O)C 62a_100000766300_100010140907 [0,1,0,0,0,0|3,0,0]=4 621 B18R0.176 COCSCCCCCCCCCCCSC(=O)C 62a_100010140907_100000766300 [0,1,0,0,0,0|3,0,0]=4 622 B18R0.176 CSCSCCCCCCCCCCCSC(=O)C 62a_100010140907_100011218213 [0,1,0,0,0,0|3,0,0]=4 623 B18R0.176 CSCSCCCCCCCCCCCSC(=O)C 62a_100011218213_100010140907 [0,1,0,0,0,0|3,0,0]=4 624 B18R0.182 CCCCCCCCCCCCCOCC(C)(C)O 34a_100000185773_100000764493 [0,1,0,0,0,0|2,0,1]=4 625 B18R0.182 CCCCCCCCCCCCCOCC(C)(C)O 7a_100000185773_100000764493 [0,1,0,0,0,0|2,0,1]=4 626 B18R0.182 CCCCCCCCCCCCCSCC(C)(C)O 62a_100000764493_100011934334 [0,1,0,0,0,0|2,0,1]=4 627 B18R0.182 CCCCCCCCCCCCOCCC(C)(C)O 34a_100000210810_100000702414 [0,1,0,0,0,0|2,0,1]=4 628 B18R0.182 CCCCCCCCCCCCOCCC(C)(C)O 7a_100000210810_100000702414 [0,1,0,0,0,0|2,0,1]=4 629 B18R0.182 CCCCCCCCCCCCSCCC(C)(C)O 62a_100000702414_100000759014 [0,1,0,0,0,0|2,0,1]=4 630 B18R0.182 CCCCCCCCCCCOCCCC(C)(C)O 34a_100000210809_100009888830 [0,1,0,0,0,0|2,0,1]=4 631 B18R0.182 CCCCCCCCCCCOCCCC(C)(C)O 7a_100000210809_100009888830 [0,1,0,0,0,0|2,0,1]=4 632 B18R0.182 CCCCCCCCCCCSCCCC(C)(C)O 62a_100009888830_100011215454 [0,1,0,0,0,0|2,0,1]=4 633 B18R0.182 CCCCCCCCCOCCCCCC(C)(C)O 34a_100000210712_100010402123 [0,1,0,0,0,0|2,0,1]=4 634 B18R0.182 CCCCCCCCCOCCCCCC(C)(C)O 7a_100000210712_100010402123 [0,1,0,0,0,0|2,0,1]=4 635 B18R0.182 CCCCCCCCCSCCCCCC(C)(C)O 62a_100010402123_100000210670 [0,1,0,0,0,0|2,0,1]=4 636 B18R0.220 C=C(C)CN(C)CCCCCCCCCCCCC 2230a_100000225649_100000210684 [0,1,0,0,0,0|3,0,0]=4 637 B18R0.220 C=C(C)CN(C)CCCCCCCCCCCCC 269982a_100000225649_100000210684 [0,1,0,0,0,0|3,0,0]=4 638 B18R0.220 C=C(C)CN(C)CCCCCCCCCCCCC 270004a_100000225649_200011215488 [0,1,0,0,0,0|3,0,0]=4 639 B18R0.220 CCCCCCCCCCCCCC(=O)CC(C)O 1458a_100000756256_100011218427 [0,1,0,0,0,0|1,0,2]=4 640 B18R0.220 CCCCCCCCCCCCCC(=O)C[C@@H](C)O 1458a_100011933948_100000210684 [0,1,0,0,0,0|1,0,2]=4 641 B18R0.220 CCCCCCCCCCCCSC(C)OC(=O)C 62a_100009818208_100000759014 [0,1,0,0,0,0|3,0,0]=4 642 B18R0.233 CCCCCCCCCCCC(=O)CCCC(=O)C 1458a_100000210736_100011215641 [0,1,0,0,0,0|1,0,1]=3 643 B18R0.233 CCCCCCCCCCCC(=O)CCCC(C)O 1458a_100000210736_200000718107 [0,1,0,0,0,0|1,0,2]=4 644 B18R0.233 CCCCCCCCCCCC(=O)CCSC(=O)C 1458a_100000048949_100011215454 [0,1,0,0,0,0|2,0,1]=4 645 B18R0.233 CCCCCCCCCCCC(C)OCCC(=O)C 7a_100011217895_100000053229 [0,1,0,0,0,0|2,0,0]=3 646 B18R0.233 CCCCCCCCCCCC(C)OCCC(C)O 34a_100011217895_100012276601 [0,1,0,0,0,0|2,0,1]=4 647 B18R0.233 CCCCCCCCCCCC(C)OCCC(C)O 7a_100011217895_100012276601 [0,1,0,0,0,0|2,0,1]=4 648 B18R0.974 CC(=O)SCCCCCCCCCCCOC(C)C 34a_100000212225_100010140907 [0,1,0,0,0,0|3,0,0]=4 649 B18R0.974 CC(=O)SCCCCCCCCCCCSC(C)C 62a_100000210206_100010140907 [0,1,0,0,0,0|3,0,0]=4 650 B18R0.974 CC(=O)SCCCCCCCCCCCSC(C)C 62a_100010140907_100000210206 [0,1,0,0,0,0|3,0,0]=4 651 B18R0.974 CC(=O)SCCCCOCCCCCCCC(C)C 34a_200000210741_200010402107 [0,1,0,0,0,0|3,0,0]=4 652 B18R0.974 CC(=O)SCCCCOCCCCCCCC(C)C 7a_200000210741_200010402107 [0,1,0,0,0,0|3,0,0]=4 653 B18R0.7250 CCCCCCCC(C)SCCCCCOC(=O)C 62a_100000033007_200011218727 [0,1,0,0,0,0|3,0,0]=4 654 B18R0.7250 CCCCCCCC(C)SCCCCCOC(=O)C 62a_200011218727_100000033007 [0,1,0,0,0,0|3,0,0]=4 655 B18R0.11628 CCCCCCCCCC(=O)CCCCSC(=O)C 1458a_100000210558_200010402107 [0,1,0,0,0,0|2,0,1]=4 656 B18R0.11628 CCCCCCCCCC(C)OCCCCC(=O)C 34a_100011218016_100009817362 [0,1,0,0,0,0|2,0,0]=3 657 B18R0.11628 CCCCCCCCCC(C)OCCCCC(=O)C 7a_100011218016_100000735457 [0,1,0,0,0,0|2,0,0]=3 658 B18R0.11628 CCCCCCCCCC(C)OCCCSC(=O)C 34a_100011218016_100000038929 [0,1,0,0,0,0|3,0,0]=4 659 B18R0.11628 CCCCCCCCCC(C)OCCCSC(=O)C 7a_100011218016_100000038929 [0,1,0,0,0,0|3,0,0]=4 660 B18R0.17430 CCCCCCCCCCC(=O)CCCCC(=O)C 1458a_100000210375_100000735457 [0,1,0,0,0,0|1,0,1]=3 661 B18R0.17430 CCCCCCCCCCC(=O)CCCSC(=O)C 1458a_100000210375_100000038929 [0,1,0,0,0,0|2,0,1]=4 662 B18R0.17430 CCCCCCCCCCC(C)OCCCC(=O)C 34a_100011215000_100000685027 [0,1,0,0,0,0|2,0,0]=3 663 B18R0.17430 CCCCCCCCCCC(C)OCCCC(=O)C 7a_100011215000_100011215641 [0,1,0,0,0,0|2,0,0]=3 664 B18R0.17430 CCCCCCCCCCC(C)OCCCC(C)O 34a_100011215000_200000718107 [0,1,0,0,0,0|2,0,1]=4 665 B18R0.17430 CCCCCCCCCCC(C)OCCCC(C)O 7a_100011215000_200000718107 [0,1,0,0,0,0|2,0,1]=4 666 B18R0.19183 C=C(C)CCC(C)NCCCCCCCCCCC 270004a_200011215754_100011215600 [0,1,0,0,0,0|3,0,0]=4 667 B18R0.19183 C=C(C)CCN(C)CCCCCCCCCCCC 2230a_100000227908_100000730704 [0,1,0,0,0,0|3,0,0]=4 668 B18R0.19183 C=C(C)CCN(C)CCCCCCCCCCCC 269982a_100000227908_100000730704 [0,1,0,0,0,0|3,0,0]=4 669 B18R0.19183 CCCCCCCCCCCCC(=O)CCC(C)O 1458a_100011215791_100012276601 [0,1,0,0,0,0|1,0,2]=4 670 B18R0.19183 CCCCCCCCCCCCC(=O)CSC(=O)C 1458a_100000049016_100000759014 [0,1,0,0,0,0|2,0,1]=4 671 B18R0.19183 CCCCCCCCCCCCC(C)OCC(=O)C 34a_100000211253_200011217028 [0,1,0,0,0,0|2,0,0]=3 672 B18R0.19183 CCCCCCCCCCCCC(C)OCC(C)O 34a_200011215752_100011218427 [0,1,0,0,0,0|2,0,1]=4 673 B18R0.19183 CCCCCCCCCCCCC(C)OCC(C)O 7a_200011215752_100011218427 [0,1,0,0,0,0|2,0,1]=4 674 B18R0.19183 CCCCCCCCCCCCC(C)OC[C@@H](C)O 34a_200011215752_100009817552 [0,1,0,0,0,0|2,0,1]=4 675 B18R0.19183 CCCCCCCCCCCCC(C)OC[C@@H](C)O 7a_200011215752_100009817552 [0,1,0,0,0,0|2,0,1]=4 676 B18R0.19183 CCCCCCCCCCCCC(C)SCC(C)O 62a_100011218427_200011217028 [0,1,0,0,0,0|2,0,1]=4 677 B18R0.19183 CCCCCCCCCCCCC(C)SCC(C)O 62a_200011217028_100011218427 [0,1,0,0,0,0|2,0,1]=4 678 B18R0.19183 CCCCCCCCCCCCC(C)SC[C@@H](C)O 62a_100009817552_200011217028 [0,1,0,0,0,0|2,0,1]=4 679 B18R0.19183 CCCCCCCCCCCCC(C)SC[C@@H](C)O 62a_200011217028_100009817552 [0,1,0,0,0,0|2,0,1]=4 680 B18R0.19183 CCCCCCCCCCCCC(C)SC[N+](=O)[O-] 62a_200011217028_100000761209 [0,1,0,0,0,0|2,0,1]=4 681 B18R0.19183 CCCCCCCCCCOCC(C)CSC(=O)C 34a_100000210711_200000116872 [0,1,0,0,0,0|3,0,0]=4 682 B18R0.19183 CCCCCCCCCCOCC(C)CSC(=O)C 7a_100000210711_200000116872 [0,1,0,0,0,0|3,0,0]=4 683 B18R0.19183 CCCCCCCCCCSCC(C)CSC(=O)C 62a_200000116872_100000210320 [0,1,0,0,0,0|3,0,0]=4 684 B18R1.1108 CCCCCCCCCCOC1C=C(CCC1)C 34a_100011218613_100000210320 [0,0,0,1,0,0|3,0,0]=4 685 B18R1.8743 C=C1CC(C1)CNCCCCCCCCCCC 2230a_100102567296_100011215454 [0,0,0,1,0,0|3,0,0]=4 686 B18R1.8743 C=C1CC(C1)CNCCCCCCCCCCC 34a_100102567296_100011215454 [0,0,0,1,0,0|3,0,0]=4 687 B18R1.8743 C=C1CC(C1)COCCCCCCCCCCC 34a_100011011225_100011215454 [0,0,0,1,0,0|3,0,0]=4 688 B18R1.8743 C=C1CC(C1)NCCCCCCCCCCCC 2230a_100132301982_100011215052 [0,0,0,1,0,0|3,0,0]=4 689 B18R1.8743 C=C1CC(C1)NCCCCCCCCCCCC 270004a_100132301982_100011218549 [0,0,0,1,0,0|3,0,0]=4 690 B18R1.8743 CCCCCCCCCCCCSC1CC(=O)C1 62a_100009894365_100000759014 [0,0,0,1,0,0|2,0,0]=3 691 B18R1.8743 CCCCCCCCCCCSCC1CC(=O)C1 62a_100009874392_100011215454 [0,0,0,1,0,0|2,0,0]=3 692 B18R1.10603 CC(=O)SCCCCSCCCC1CCCCC1 62a_100011713725_200010402107 [0,0,0,1,0,0|3,0,0]=4 693 B18R1.10603 CC(=O)SCCCCSCCCC1CCCCC1 62a_200010402107_100011713725 [0,0,0,1,0,0|3,0,0]=4 694 B18R1.13035 CCCCCCCCCCCCCSCC1CO1 62a_102125554688_100011934334 [0,0,0,1,0,0|2,0,1]=4 695 B18R1.13035 CCCCCCCCCCCCCSC[C@@H]1CO1 62a_100000745022_100011934334 [0,0,0,1,0,0|2,0,1]=4 696 B18R1.13035 CCCCCCCCCCCCSCCC1CO1 62a_100000732470_100000759014 [0,0,0,1,0,0|2,0,1]=4 697 B18R1.13035 CCCCCCCCCCCSCCCC1CO1 62a_100000733510_100011215454 [0,0,0,1,0,0|2,0,1]=4 698 B18R1.21165 C=C(C)CCNC1CCCCCCCCCCC1 2230a_100011194316_100000730704 [0,0,0,1,0,0|3,0,0]=4 699 B18R1.21165 C=C(C)CCNC1CCCCCCCCCCC1 34a_100011194316_100000730704 [0,0,0,1,0,0|3,0,0]=4 700 B18R1.21165 C=C(C)CCOC1CCCCCCCCCCC1 34a_100000211378_100000730704 [0,0,0,1,0,0|3,0,0]=4 701 B18R1.21165 C=C(C)CCOC1CCCCCCCCCCC1 7a_100000211378_100000730704 [0,0,0,1,0,0|3,0,0]=4 702 B18R1.172730 CN(C)C1CCCCCCCCCCCCCC1 270004a_100102631434_100000040017 [0,0,0,1,0,0|3,0,0]=4 703 B15R0.70 C=CCCCCCCCCCCCOCC 34a_100121572206_102130925996 [2,0,0,0,0,0|1,0,1]=4 704 B15R0.70 C=CCCCCCCCCCCCSCC 62a_100000210202_102130925996 [2,0,0,0,0,0|1,0,1]=4 705 B15R0.70 C=CCCCCCCCCCCCSCC 62a_102130925996_100000210202 [2,0,0,0,0,0|1,0,1]=4 706 B15R0.70 C=CCCCCCCCCCCOCCC 34a_100000210258_100011093070 [2,0,0,0,0,0|1,0,1]=4 707 B15R0.70 C=CCCCCCCCCCCSCCC 62a_100000210303_100011093070 [2,0,0,0,0,0|1,0,1]=4 708 B15R0.70 C=CCCCCCCCCCCSCCC 62a_100011093070_100000210303 [2,0,0,0,0,0|1,0,1]=4 709 B15R0.70 C=CCCCCCCCCCOCCCC 34a_100000038209_100000210210 [2,0,0,0,0,0|1,0,1]=4 710 B15R0.70 C=CCCCCCCCCCOCCCC 34a_100000210227_100009814027 [2,0,0,0,0,0|1,0,1]=4 711 B15R0.70 C=CCCCCCCCCCOCCCC 7a_100000038209_100000210211 [2,0,0,0,0,0|1,0,1]=4 712 B15R0.70 C=CCCCCCCCCCOCCCC 7a_100000210227_100009814027 [2,0,0,0,0,0|1,0,1]=4 713 B15R0.70 C=CCCCCCCCCCSCCCC 62a_100000210211_100009814027 [2,0,0,0,0,0|1,0,1]=4 714 B15R0.70 C=CCCCCCCCCCSCCCC 62a_100009814027_100000210210 [2,0,0,0,0,0|1,0,1]=4 715 B15R0.70 C=CCCCCCCCCOCCCCC 34a_100000210253_100011933949 [2,0,0,0,0,0|1,0,1]=4 716 B15R0.70 C=CCCCCCCCCOCCCCC 34a_100011215194_100000718602 [2,0,0,0,0,0|1,0,1]=4 717 B15R0.70 C=CCCCCCCCCOCCCCC 7a_100000210253_100011933949 [2,0,0,0,0,0|1,0,1]=4 718 B15R0.70 C=CCCCCCCCCOCCCCC 7a_100011215194_100000210326 [2,0,0,0,0,0|1,0,1]=4 719 B15R0.70 C=CCCCCCCCCSCCCCC 62a_100000210326_100011933949 [2,0,0,0,0,0|1,0,1]=4 720 B15R0.70 C=CCCCCCCCCSCCCCC 62a_100011933949_100000210326 [2,0,0,0,0,0|1,0,1]=4 721 B15R0.70 C=CCCCCCCCOCCCCCC 34a_100000210259_100012355270 [2,0,0,0,0,0|1,0,1]=4 722 B15R0.70 C=CCCCCCCCOCCCCCC 34a_100000730831_100000210314 [2,0,0,0,0,0|1,0,1]=4 723 B15R0.70 C=CCCCCCCCOCCCCCC 7a_100000210259_100012355270 [2,0,0,0,0,0|1,0,1]=4 724 B15R0.70 C=CCCCCCCCOCCCCCC 7a_100000730831_100000210314 [2,0,0,0,0,0|1,0,1]=4 725 B15R0.70 C=CCCCCCCCSCCCCCC 62a_100000210314_100012355270 [2,0,0,0,0,0|1,0,1]=4 726 B15R0.70 C=CCCCCCCCSCCCCCC 62a_100012355270_100000210757 [2,0,0,0,0,0|1,0,1]=4 727 B15R0.70 C=CCCCCCCOCCCCCCC 34a_100000210272_100011215473 [2,0,0,0,0,0|1,0,1]=4 728 B15R0.70 C=CCCCCCCOCCCCCCC 34a_200011216477_100000210614 [2,0,0,0,0,0|1,0,1]=4 729 B15R0.70 C=CCCCCCCOCCCCCCC 7a_100000210272_100011215473 [2,0,0,0,0,0|1,0,1]=4 730 B15R0.70 C=CCCCCCCOCCCCCCC 7a_200011216477_100000210614 [2,0,0,0,0,0|1,0,1]=4 731 B15R0.70 C=CCCCCCCSCCCCCCC 62a_100000210614_100011215473 [2,0,0,0,0,0|1,0,1]=4 732 B15R0.70 C=CCCCCCCSCCCCCCC 62a_100011215473_100000210316 [2,0,0,0,0,0|1,0,1]=4 733 B15R0.70 C=CCCCCCOCCCCCCCC 34a_100000210232_100000700193 [2,0,0,0,0,0|1,0,1]=4 734 B15R0.70 C=CCCCCCOCCCCCCCC 34a_100011216702_100000210759 [2,0,0,0,0,0|1,0,1]=4 735 B15R0.70 C=CCCCCCOCCCCCCCC 7a_100000210232_100000700193 [2,0,0,0,0,0|1,0,1]=4 736 B15R0.70 C=CCCCCCOCCCCCCCC 7a_100011216702_100000210759 [2,0,0,0,0,0|1,0,1]=4 737 B15R0.70 C=CCCCCCSCCCCCCCC 62a_100000210759_100000700193 [2,0,0,0,0,0|1,0,1]=4 738 B15R0.70 C=CCCCCCSCCCCCCCC 62a_100000700193_100000210317 [2,0,0,0,0,0|1,0,1]=4 739 B15R0.70 C=CCCCCOCCCCCCCCC 34a_100000210712_100011215482 [2,0,0,0,0,0|1,0,1]=4 740 B15R0.70 C=CCCCCOCCCCCCCCC 34a_100000766645_100011214924 [2,0,0,0,0,0|1,0,1]=4 741 B15R0.70 C=CCCCCOCCCCCCCCC 7a_100000210712_100011215482 [2,0,0,0,0,0|1,0,1]=4 742 B15R0.70 C=CCCCCOCCCCCCCCC 7a_100000766645_100000210328 [2,0,0,0,0,0|1,0,1]=4 743 B15R0.70 C=CCCCCSCCCCCCCCC 62a_100011215482_100000210670 [2,0,0,0,0,0|1,0,1]=4 744 B15R0.70 C=CCCCOCCCCCCCCCC 34a_100000210711_100000757094 [2,0,0,0,0,0|1,0,1]=4 745 B15R0.70 C=CCCCOCCCCCCCCCC 34a_100000758997_100000210320 [2,0,0,0,0,0|1,0,1]=4 746 B15R0.70 C=CCCCOCCCCCCCCCC 7a_100000210711_100000757094 [2,0,0,0,0,0|1,0,1]=4 747 B15R0.70 C=CCCCOCCCCCCCCCC 7a_100000758997_100000210320 [2,0,0,0,0,0|1,0,1]=4 748 B15R0.70 C=CCCCSCCCCCCCCCC 62a_100011713584_100000210320 [2,0,0,0,0,0|1,0,1]=4 749 B15R0.70 C=CCCOCCCCCCCCCCC 34a_100000210809_100000754431 [2,0,0,0,0,0|1,0,1]=4 750 B15R0.70 C=CCCOCCCCCCCCCCC 34a_100011205117_100011215454 [2,0,0,0,0,0|1,0,1]=4 751 B15R0.70 C=CCCOCCCCCCCCCCC 7a_100000210809_100000754431 [2,0,0,0,0,0|1,0,1]=4 752 B15R0.70 C=CCCSCCCCCCCCCCC 62a_100000754431_100011215454 [2,0,0,0,0,0|1,0,1]=4 753 B15R0.70 C=CCOCCCCCCCCCCCC 34a_100000210810_100015514636 [2,0,0,0,0,0|1,0,1]=4 754 B15R0.70 C=CCOCCCCCCCCCCCC 34a_200000210373_100000759014 [2,0,0,0,0,0|1,0,1]=4 755 B15R0.70 C=CCOCCCCCCCCCCCC 7a_100000210810_100015514636 [2,0,0,0,0,0|1,0,1]=4 756 B15R0.70 C=CCSCCCCCCCCCCCC 62a_100000210623_100000759014 [2,0,0,0,0,0|1,0,1]=4 757 B15R0.70 CCCCCCCCCCCCCCOC 34a_100000210739_200000210301 [2,0,0,0,0,0|1,0,1]=4 758 B15R0.70 CCCCCCCCCCCCCCOC 34a_100138415774_100011215471 [2,0,0,0,0,0|1,0,1]=4 759 B15R0.70 CCCCCCCCCCCCCCOC 7a_100000210739_200000210301 [2,0,0,0,0,0|1,0,1]=4 760 B15R0.70 CCCCCCCCCCCCCCO[13CH3] 34a_100000210739_200025704644 [2,0,0,0,0,0|1,0,1]=4 761 B15R0.70 CCCCCCCCCCCCCCO[13CH3] 7a_100000210739_200025704644 [2,0,0,0,0,0|1,0,1]=4 762 B15R0.70 CCCCCCCCCCCCCOCC 34a_100000185773_100000210202 [2,0,0,0,0,0|1,0,1]=4 763 B15R0.70 CCCCCCCCCCCCCOCC 34a_100121572206_100000210684 [2,0,0,0,0,0|1,0,1]=4 764 B15R0.70 CCCCCCCCCCCCCOCC 7a_100000185773_100000210202 [2,0,0,0,0,0|1,0,1]=4 765 B15R0.70 CCCCCCCCCCCCCOCF 34a_100000185773_100015361967 [2,0,0,0,0,0|2,0,0]=4 766 B15R0.70 CCCCCCCCCCCCCOCF 7a_100000185773_100015361967 [2,0,0,0,0,0|2,0,0]=4 767 B15R0.70 CCCCCCCCCCCCCSCF 62a_100015361967_100011934334 [2,0,0,0,0,0|2,0,0]=4 768 B15R0.70 CCCCCCCCCCCCOCCBr 34a_100000211926_100000759014 [2,0,0,0,0,0|2,0,0]=4 769 B15R0.70 CCCCCCCCCCCCOCCC 34a_100000210258_100000759014 [2,0,0,0,0,0|1,0,1]=4 770 B15R0.70 CCCCCCCCCCCCOCCC 34a_100000210810_100000210303 [2,0,0,0,0,0|1,0,1]=4 771 B15R0.70 CCCCCCCCCCCCOCCC 7a_100000210810_100000210303 [2,0,0,0,0,0|1,0,1]=4 772 B15R0.70 CCCCCCCCCCCCSCCF 62a_100011217306_100000759014 [2,0,0,0,0,0|2,0,0]=4 773 B15R0.70 CCCCCCCCCCCOCCCBr 34a_100011217188_100011215454 [2,0,0,0,0,0|2,0,0]=4 774 B15R0.70 CCCCCCCCCCCOCCCC 34a_100000210227_100011215454 [2,0,0,0,0,0|1,0,1]=4 775 B15R0.70 CCCCCCCCCCCOCCCC 34a_100000210809_100000210210 [2,0,0,0,0,0|1,0,1]=4 776 B15R0.70 CCCCCCCCCCCOCCCC 7a_100000210227_100011215454 [2,0,0,0,0,0|1,0,1]=4 777 B15R0.70 CCCCCCCCCCCOCCCC 7a_100000210809_100000210211 [2,0,0,0,0,0|1,0,1]=4 778 B15R0.70 CCCCCCCCCCCOCCCCl 34a_100000230001_100011215454 [2,0,0,0,0,0|2,0,0]=4 779 B15R0.70 CCCCCCCCCCCSCCCF 62a_100011934791_100011215454 [2,0,0,0,0,0|2,0,0]=4 780 B15R0.70 CCCCCCCCCCOCCCCBr 34a_100011216708_100000210320 [2,0,0,0,0,0|2,0,0]=4 781 B15R0.70 CCCCCCCCCCOCCCCC 34a_100000210253_100000210320 [2,0,0,0,0,0|1,0,1]=4 782 B15R0.70 CCCCCCCCCCOCCCCC 34a_100000210711_100000718602 [2,0,0,0,0,0|1,0,1]=4 783 B15R0.70 CCCCCCCCCCOCCCCC 7a_100000210253_100000210320 [2,0,0,0,0,0|1,0,1]=4 784 B15R0.70 CCCCCCCCCCOCCCCC 7a_100000210711_100000210326 [2,0,0,0,0,0|1,0,1]=4 785 B15R0.70 CCCCCCCCCCOCCCCCl 34a_100000210776_100000210320 [2,0,0,0,0,0|2,0,0]=4 786 B15R0.70 CCCCCCCCCCOCCCCCl 7a_100000210776_100000210320 [2,0,0,0,0,0|2,0,0]=4 787 B15R0.70 CCCCCCCCCCOCCCCI 34a_200012148704_100000210320 [2,0,0,0,0,0|2,0,0]=4 788 B15R0.70 CCCCCCCCCCSCCCCF 62a_100000729493_100000210320 [2,0,0,0,0,0|2,0,0]=4 789 B15R0.70 CCCCCCCCCOCCCCCBr 34a_100000746331_100011214924 [2,0,0,0,0,0|2,0,0]=4 790 B15R0.70 CCCCCCCCCOCCCCCBr 7a_100000746331_100000210328 [2,0,0,0,0,0|2,0,0]=4 791 B15R0.70 CCCCCCCCCOCCCCCC 34a_100000210259_100011214924 [2,0,0,0,0,0|1,0,1]=4 792 B15R0.70 CCCCCCCCCOCCCCCC 34a_100000210712_100000210314 [2,0,0,0,0,0|1,0,1]=4 793 B15R0.70 CCCCCCCCCOCCCCCC 7a_100000210259_100000210328 [2,0,0,0,0,0|1,0,1]=4 794 B15R0.70 CCCCCCCCCOCCCCCC 7a_100000210712_100000210314 [2,0,0,0,0,0|1,0,1]=4 795 B15R0.70 CCCCCCCCCOCCCCCCl 34a_100000746330_100011214924 [2,0,0,0,0,0|2,0,0]=4 796 B15R0.70 CCCCCCCCCOCCCCCCl 7a_100000746330_100000210328 [2,0,0,0,0,0|2,0,0]=4 797 B15R0.70 CCCCCCCCCOCCCCCI 34a_200012148887_100011214924 [2,0,0,0,0,0|2,0,0]=4 798 B15R0.70 CCCCCCCCCOCCCCCI 7a_200012148887_100000210328 [2,0,0,0,0,0|2,0,0]=4 799 B15R0.70 CCCCCCCCCSCCCCCF 62a_100000729378_100000210670 [2,0,0,0,0,0|2,0,0]=4 800 B15R0.70 CCCCCCCCOCCCCCCBr 34a_100011215345_100000210759 [2,0,0,0,0,0|2,0,0]=4 801 B15R0.70 CCCCCCCCOCCCCCCBr 7a_100011215345_100000210759 [2,0,0,0,0,0|2,0,0]=4 802 B15R0.70 CCCCCCCCOCCCCCCC 34a_100000210232_100000210614 [2,0,0,0,0,0|1,0,1]=4 803 B15R0.70 CCCCCCCCOCCCCCCC 34a_100000210272_100000210759 [2,0,0,0,0,0|1,0,1]=4 804 B15R0.70 CCCCCCCCOCCCCCCC 7a_100000210232_100000210614 [2,0,0,0,0,0|1,0,1]=4 805 B15R0.70 CCCCCCCCOCCCCCCC 7a_100000210272_100000210759 [2,0,0,0,0,0|1,0,1]=4 806 B15R0.70 CCCCCCCCOCCCCCCCl 34a_100000766143_100000210759 [2,0,0,0,0,0|2,0,0]=4 807 B15R0.70 CCCCCCCCOCCCCCCCl 7a_100000766143_100000210759 [2,0,0,0,0,0|2,0,0]=4 808 B15R0.70 CCCCCCCCSCCCCCCF 62a_100000210759_100015922095 [2,0,0,0,0,0|2,0,0]=4 809 B15R0.70 CCCCCCCCSCCCCCCF 62a_100015922095_100000210317 [2,0,0,0,0,0|2,0,0]=4 810 B15R0.70 CCCCCCCOCCCCCCCBr 34a_100000760002_100000210614 [2,0,0,0,0,0|2,0,0]=4 811 B15R0.70 CCCCCCCOCCCCCCCBr 7a_100000760002_100000210614 [2,0,0,0,0,0|2,0,0]=4 812 B15R0.70 CCCCCCOCCCCCCCCBr 34a_100009813846_100000210314 [2,0,0,0,0,0|2,0,0]=4 813 B15R0.70 CCCCCCOCCCCCCCCBr 7a_100009813846_100000210314 [2,0,0,0,0,0|2,0,0]=4 814 B15R0.70 CCCCCCOCCCCCCCCCl 34a_100000033203_100000210314 [2,0,0,0,0,0|2,0,0]=4 815 B15R0.70 CCCCCCOCCCCCCCCCl 7a_100000033203_100000210314 [2,0,0,0,0,0|2,0,0]=4 816 B15R0.70 CCCCCOCCCCCCCCCBr 34a_100009813782_100000718602 [2,0,0,0,0,0|2,0,0]=4 817 B15R0.70 CCCCCOCCCCCCCCCBr 7a_100009813782_100000210326 [2,0,0,0,0,0|2,0,0]=4 818 B15R0.70 CCCCCOCCCCCCCCCCl 34a_100009868337_100000718602 [2,0,0,0,0,0|2,0,0]=4 819 B15R0.70 CCCCCOCCCCCCCCCCl 7a_100009868337_100000210326 [2,0,0,0,0,0|2,0,0]=4 820 B15R0.70 CCCCOCCCCCCCCCCBr 34a_100009813290_100000210210 [2,0,0,0,0,0|2,0,0]=4 821 B15R0.70 CCCCOCCCCCCCCCCBr 7a_100009813290_100000210211 [2,0,0,0,0,0|2,0,0]=4 822 B15R0.70 CCCCOCCCCCCCCCCCl 34a_200000033068_100000210210 [2,0,0,0,0,0|2,0,0]=4 823 B15R0.70 CCCCOCCCCCCCCCCCl 7a_200000033068_100000210211 [2,0,0,0,0,0|2,0,0]=4 824 B15R0.70 CCCOCCCCCCCCCCCBr 34a_100009812471_100000210303 [2,0,0,0,0,0|2,0,0]=4 825 B15R0.70 CCCOCCCCCCCCCCCBr 7a_100009812471_100000210303 [2,0,0,0,0,0|2,0,0]=4 826 B15R0.70 CCOCCCCCCCCCCCCBr 34a_100009813331_100000210202 [2,0,0,0,0,0|2,0,0]=4 827 B15R0.70 CCOCCCCCCCCCCCCBr 7a_100009813331_100000210202 [2,0,0,0,0,0|2,0,0]=4 828 B15R0.70 COCCCCCCCCCCCCCBr 34a_100009812470_200000210301 [2,0,0,0,0,0|2,0,0]=4 829 B15R0.70 COCCCCCCCCCCCCCBr 7a_100009812470_200000210301 [2,0,0,0,0,0|2,0,0]=4 830 B15R0.70 [13CH3]OCCCCCCCCCCCCCBr 34a_100009812470_200025704644 [2,0,0,0,0,0|2,0,0]=4 831 B15R0.70 [13CH3]OCCCCCCCCCCCCCBr 7a_100009812470_200025704644 [2,0,0,0,0,0|2,0,0]=4 832 B15R0.164 CCCCCCCCCCCCCC(=O)C 1458a_100000070787_100000210684 [2,0,0,0,0,0|1,0,0]=3 833 B15R0.164 CCCCCCCCCCCCCC(=O)C 1458a_100000756256_200000210301 [2,0,0,0,0,0|1,0,0]=3 834 B15R0.164 CCCCCCCCCCCCCC(=O)[13CH3] 1458a_100000756256_200025704644 [2,0,0,0,0,0|1,0,0]=3 835 B17R0.195 C#CC(=O)CCCCCCCCCCCCCC 1458a_100000211873_100011215471 [1,1,0,0,0,0|1,0,0]=3 836 B17R0.195 C=CC(=O)CCCCCCCCCCCCCC 1458a_100000185746_100011215471 [1,1,0,0,0,0|1,0,0]=3 837 B17R0.195 CCCCCCCCCCCCCCC(=O)CF 1458a_100000297455_100015361967 [1,1,0,0,0,0|1,0,0]=3 838 B17R0.195 CCCCCCCCCCCCSCC(=O)CC 62a_100000747405_100000759014 [1,1,0,0,0,0|2,0,0]=4 839 B17R0.14245 CCCCCCCCCCCCSC(C)C(=O)C 62a_100009814033_100000759014 [1,1,0,0,0,0|2,0,0]=4 840 B17R0.104 C=CCCCCCCC(=O)CCCCCCCC 1458a_100000210188_100011215473 [1,1,0,0,0,0|1,0,1]=4 841 B17R0.104 C=CCCCCCCC(=O)CCCCCCCC 1458a_100011809334_100000210759 [1,1,0,0,0,0|1,0,1]=4 842 B17R0.104 C=CCCCCCCN(C)CCCCCCCC 2230a_100000207567_100011215473 [1,1,0,0,0,0|2,0,0]=4 843 B17R0.104 C=CCCCCCCN(C)CCCCCCCC 269982a_100000207567_100011215473 [1,1,0,0,0,0|2,0,0]=4 844 B17R0.104 C=CCCCCCOC(C)CCCCCCCC 34a_100000210740_100000700193 [1,1,0,0,0,0|2,0,0]=4 845 B17R0.104 C=CCCCCCOC(C)CCCCCCCC 7a_100000210740_100000700193 [1,1,0,0,0,0|2,0,0]=4 846 B17R0.104 C=CCCCCNCC(C)CCCCCCCC 270004a_100000703577_100011995885 [1,1,0,0,0,0|2,0,0]=4 847 B17R0.104 C=CCCCCOCC(C)CCCCCCCC 34a_200012125181_100011215482 [1,1,0,0,0,0|2,0,0]=4 848 B17R0.104 C=CCCCCOCC(C)CCCCCCCC 7a_200012125181_100011215482 [1,1,0,0,0,0|2,0,0]=4 849 B17R0.117 C#CCCCCCCCCCCOCCCCC 34a_100000054667_100000718602 [1,1,0,0,0,0|1,0,1]=4 850 B17R0.117 C#CCCCCCCCCCCOCCCCC 7a_100000054667_100000210326 [1,1,0,0,0,0|1,0,1]=4 851 B17R0.117 C#CCCCCCCCCCOCCCCCC 34a_100000034437_100000210314 [1,1,0,0,0,0|1,0,1]=4 852 B17R0.117 C#CCCCCCCCCCOCCCCCC 7a_100000034437_100000210314 [1,1,0,0,0,0|1,0,1]=4 853 B17R0.117 C#CCCCCCCCCOCCCCCCC 34a_100000065265_100000210614 [1,1,0,0,0,0|1,0,1]=4 854 B17R0.117 C#CCCCCCCCCOCCCCCCC 7a_100000065265_100000210614 [1,1,0,0,0,0|1,0,1]=4 855 B17R0.117 C#CCCCCCCCOCCCCCCCC 34a_100000054614_100000210759 [1,1,0,0,0,0|1,0,1]=4 856 B17R0.117 C#CCCCCCCCOCCCCCCCC 34a_100000210232_100153394163 [1,1,0,0,0,0|1,0,1]=4 857 B17R0.117 C#CCCCCCCCOCCCCCCCC 7a_100000054614_100000210759 [1,1,0,0,0,0|1,0,1]=4 858 B17R0.117 C#CCCCCCCCOCCCCCCCC 7a_100000210232_100153394163 [1,1,0,0,0,0|1,0,1]=4 859 B17R0.117 C#CCCCCCCOCCCCCCCCC 34a_100000210712_100012276617 [1,1,0,0,0,0|1,0,1]=4 860 B17R0.117 C#CCCCCCCOCCCCCCCCC 34a_100011217361_100011214924 [1,1,0,0,0,0|1,0,1]=4 861 B17R0.117 C#CCCCCCCOCCCCCCCCC 7a_100000210712_100012276617 [1,1,0,0,0,0|1,0,1]=4 862 B17R0.117 C#CCCCCCCOCCCCCCCCC 7a_100011217361_100000210328 [1,1,0,0,0,0|1,0,1]=4 863 B17R0.117 C#CCCCCCOCCCCCCCCCC 34a_100000210711_100012094781 [1,1,0,0,0,0|1,0,1]=4 864 B17R0.117 C#CCCCCCOCCCCCCCCCC 34a_100000766912_100000210320 [1,1,0,0,0,0|1,0,1]=4 865 B17R0.117 C#CCCCCCOCCCCCCCCCC 7a_100000210711_100012094781 [1,1,0,0,0,0|1,0,1]=4 866 B17R0.117 C#CCCCCCOCCCCCCCCCC 7a_100000766912_100000210320 [1,1,0,0,0,0|1,0,1]=4 867 B17R0.117 C#CCCCCOCCCCCCCCCCC 34a_100000210809_100010269958 [1,1,0,0,0,0|1,0,1]=4 868 B17R0.117 C#CCCCCOCCCCCCCCCCC 34a_100000766709_100011215454 [1,1,0,0,0,0|1,0,1]=4 869 B17R0.117 C#CCCCCOCCCCCCCCCCC 7a_100000210809_100010269958 [1,1,0,0,0,0|1,0,1]=4 870 B17R0.117 C#CCCCCOCCCCCCCCCCC 7a_100000766709_100011215454 [1,1,0,0,0,0|1,0,1]=4 871 B17R0.117 C#CCCCOCCCCCCCCCCCC 34a_100000210810_100000695029 [1,1,0,0,0,0|1,0,1]=4 872 B17R0.117 C#CCCCOCCCCCCCCCCCC 34a_100000215630_100000759014 [1,1,0,0,0,0|1,0,1]=4 873 B17R0.117 C#CCCCOCCCCCCCCCCCC 7a_100000210810_100011215417 [1,1,0,0,0,0|1,0,1]=4 874 B17R0.117 C#CCCCOCCCCCCCCCCCC 7a_100000215630_100000759014 [1,1,0,0,0,0|1,0,1]=4 875 B17R0.117 C#CCCOCCCCCCCCCCCCC 34a_100000185773_100000688953 [1,1,0,0,0,0|1,0,1]=4 876 B17R0.117 C#CCCOCCCCCCCCCCCCC 34a_100011215631_100000210684 [1,1,0,0,0,0|1,0,1]=4 877 B17R0.117 C#CCCOCCCCCCCCCCCCC 7a_100000185773_100000688953 [1,1,0,0,0,0|1,0,1]=4 878 B17R0.117 C#CCOCCCCCCCCCCCCCC 34a_100000210247_100011215471 [1,1,0,0,0,0|1,0,1]=4 879 B17R0.117 C#CCOCCCCCCCCCCCCCC 34a_100000210739_100000184674 [1,1,0,0,0,0|1,0,1]=4 880 B17R0.117 C#CCOCCCCCCCCCCCCCC 7a_100000210739_100000038162 [1,1,0,0,0,0|1,0,1]=4 881 B17R0.117 C/C=C/CCOCCCCCCCCCCCC 34a_100016278192_100000759014 [1,1,0,0,0,0|1,0,1]=4 882 B17R0.117 C/C=C/CNCCCCCCCCCCCCC 34a_100011215765_100102629194 [1,1,0,0,0,0|1,0,1]=4 883 B17R0.117 C/C=C/COCCCCCCCCCCCCC 34a_100000185773_100102629194 [1,1,0,0,0,0|1,0,1]=4 884 B17R0.117 C/C=C/COCCCCCCCCCCCCC 34a_100016270725_100000210684 [1,1,0,0,0,0|1,0,1]=4 885 B17R0.117 C/C=C/COCCCCCCCCCCCCC 7a_100000185773_100102629194 [1,1,0,0,0,0|1,0,1]=4 886 B17R0.117 CC=CCCCOCCCCCCCCCCC 34a_100020645299_100011215454 [1,1,0,0,0,0|1,0,1]=4 887 B17R0.117 CC=CCNCCCCCCCCCCCCC 2230a_100011215765_100000070051 [1,1,0,0,0,0|1,0,1]=4 888 B17R0.117 CC=CCNCCCCCCCCCCCCC 34a_100011215765_100000070051 [1,1,0,0,0,0|1,0,1]=4 889 B17R0.117 CC=CCOCCCCCCCCCCCCC 34a_100000185773_100000070051 [1,1,0,0,0,0|1,0,1]=4 890 B17R0.117 CC=CCOCCCCCCCCCCCCC 7a_100000185773_100000070051 [1,1,0,0,0,0|1,0,1]=4 891 B17R0.117 CCCCCCCCCCCCCCOCC#N 7a_100000210739_100011215382 [1,1,0,0,0,0|1,0,1]=4 892 B17R0.117 CCCCCCCCCCCCCOCCC#N 7a_100000185773_100000184422 [1,1,0,0,0,0|1,0,1]=4 893 B17R0.117 CCCCCCCCCCCCCSCCC#N 62a_100011215226_100011934334 [1,1,0,0,0,0|1,0,1]=4 894 B17R0.117 CCCCCCCCCCCCOCCCC#N 7a_100000210810_100000687738 [1,1,0,0,0,0|1,0,1]=4 895 B17R0.117 CCCCCCCCCCCCSCCCC#N 62a_100000687738_100000759014 [1,1,0,0,0,0|1,0,1]=4 896 B17R0.117 CCCCCCCCCCCOCCCCC#N 7a_100000210809_100000211819 [1,1,0,0,0,0|1,0,1]=4 897 B17R0.117 CCCCCCCCCCCSCCCCC#N 62a_100011219923_100011215454 [1,1,0,0,0,0|1,0,1]=4 898 B17R0.117 CCCCCCCCCCOCCCCCC#N 7a_100000210711_100009813376 [1,1,0,0,0,0|1,0,1]=4 899 B17R0.117 CCCCCCCCCCSCCCCCC#N 62a_100009813376_100000210320 [1,1,0,0,0,0|1,0,1]=4 900 B17R0.117 CCCCCCCCCOCCCCCCC#N 7a_100000210712_100009813337 [1,1,0,0,0,0|1,0,1]=4 901 B17R0.117 CCCCCCCCCSCCCCCCC#N 62a_100009813337_100000210670 [1,1,0,0,0,0|1,0,1]=4 902 B17R0.196 C=CCCC(=O)CCCCCCCCCCCC 1458a_100000749702_100000759014 [1,1,0,0,0,0|1,0,1]=4 903 B17R0.196 C=CCCC(=O)CCCCCCCCCCCC 1458a_100011215791_100000754431 [1,1,0,0,0,0|1,0,1]=4 904 B17R0.196 C=CCCC(C)NCCCCCCCCCCC 270004a_200011215754_100000762624 [1,1,0,0,0,0|2,0,0]=4 905 B17R0.196 C=CCCC(C)OCCCCCCCCCCC 34a_100000765329_100011215454 [1,1,0,0,0,0|2,0,0]=4 906 B17R0.196 C=CCCC(C)OCCCCCCCCCCC 7a_100000765329_100011215454 [1,1,0,0,0,0|2,0,0]=4 907 B17R0.196 C=CCCCCCCCCCCC(=O)CCCC 1458a_100000210183_100011093070 [1,1,0,0,0,0|1,0,1]=4 908 B17R0.196 C=CCCCCCCCCCCN(C)CCCC 2230a_100000207549_100011093070 [1,1,0,0,0,0|2,0,0]=4 909 B17R0.196 C=CCCCCCCCCCCN(C)CCCC 269982a_100000207549_100011093070 [1,1,0,0,0,0|2,0,0]=4 910 B17R0.196 C=CCCCCCCCCCNC(C)CCCC 2230a_100000081888_200011215066 [1,1,0,0,0,0|2,0,0]=4 911 B17R0.196 C=CCCCCCCCCCNC(C)CCCC 2230a_100000126638_100009814027 [1,1,0,0,0,0|2,0,0]=4 912 B17R0.196 C=CCCCCCCCCCNC(C)CCCC 270004a_100000081888_100000210087 [1,1,0,0,0,0|2,0,0]=4 913 B17R0.196 C=CCCCCCCCCCNC(C)CCCC 34a_100000081888_200011215066 [1,1,0,0,0,0|2,0,0]=4 914 B17R0.196 C=CCCCCCCCCCOC(C)CCCC 34a_100000038209_200011215066 [1,1,0,0,0,0|2,0,0]=4 915 B17R0.196 C=CCCCCCCCCCOC(C)CCCC 34a_100000687866_100009814027 [1,1,0,0,0,0|2,0,0]=4 916 B17R0.196 C=CCCCCCCCCCOC(C)CCCC 7a_100000038209_200011215066 [1,1,0,0,0,0|2,0,0]=4 917 B17R0.196 C=CCCCCCCCCCOC(C)CCCC 7a_100000687866_100009814027 [1,1,0,0,0,0|2,0,0]=4 918 B17R0.196 C=CCCCCCCCCOCC(C)CCCC 34a_100011995851_100011933949 [1,1,0,0,0,0|2,0,0]=4 919 B17R0.196 C=CCCCCCCCCOCC(C)CCCC 7a_100011995851_100011933949 [1,1,0,0,0,0|2,0,0]=4 920 B17R0.196 C=CCCCCCOCCCCC(C)CCCC 34a_200011021034_100000700193 [1,1,0,0,0,0|2,0,0]=4 921 B17R0.196 C=CCCCCCOCCCCC(C)CCCC 7a_200011021034_100000700193 [1,1,0,0,0,0|2,0,0]=4 922 B17R0.196 C=CCCN(C)CCCCCCCCCCCC 2230a_100000227908_100000754431 [1,1,0,0,0,0|2,0,0]=4 923 B17R0.196 C=CCCN(C)CCCCCCCCCCCC 2230a_100020639649_100011215052 [1,1,0,0,0,0|2,0,0]=4 924 B17R0.196 C=CCCN(C)CCCCCCCCCCCC 269982a_100000227908_100000754431 [1,1,0,0,0,0|2,0,0]=4 925 B17R0.196 C=CCCN(C)CCCCCCCCCCCC 269982a_100020639649_100000759014 [1,1,0,0,0,0|2,0,0]=4 926 B17R0.196 C=CCCN(C)CCCCCCCCCCCC 270004a_100020639649_100011218549 [1,1,0,0,0,0|2,0,0]=4 927 B17R0.196 C=CCNC(C)CCCCCCCCCCCC 2230a_100020586998_200011217028 [1,1,0,0,0,0|2,0,0]=4 928 B17R0.196 C=CCNC(C)CCCCCCCCCCCC 270004a_100020586998_100011219199 [1,1,0,0,0,0|2,0,0]=4 929 B17R0.196 C=CCOC(C)CCCCCCCCCCCC 34a_200000210373_200011217028 [1,1,0,0,0,0|2,0,0]=4 930 B17R0.196 C=CCOC(C)CCCCCCCCCCCC 34a_200011215752_100015514636 [1,1,0,0,0,0|2,0,0]=4 931 B17R0.196 C=CCOC(C)CCCCCCCCCCCC 7a_200011215752_100015514636 [1,1,0,0,0,0|2,0,0]=4 932 B17R0.196 CCCCC(C)SCCCCCCCCCCO 62a_100009813290_200011215066 [1,1,0,0,0,0|1,0,1]=4 933 B17R0.196 CCCCC(C)SCCCCCCCCCCO 62a_200011215066_200000033068 [1,1,0,0,0,0|1,0,1]=4 934 B17R0.196 CCCCCCCCCCCCC(C)SCC=O 62a_200011217028_200015260668 [1,1,0,0,0,0|1,0,0]=3 935 B17R0.196 CCCCCCCCCCCCC(C)SCC=O 62a_200015260668_200011217028 [1,1,0,0,0,0|1,0,0]=3 936 B17R0.196 CCCCCCCCCCCCC(C)SCCO 62a_100000211926_200011217028 [1,1,0,0,0,0|1,0,1]=4 937 B17R0.196 CCCCCCCCCCCCC(C)SCCO 62a_200011217028_100000211926 [1,1,0,0,0,0|1,0,1]=4 938 B17R0.250 C=CCC(=O)CCCCCCCCCCCCC 1458a_100000210193_100000210684 [1,1,0,0,0,0|1,0,1]=4 939 B17R0.250 C=CCC(=O)CCCCCCCCCCCCC 1458a_100000756256_100000210623 [1,1,0,0,0,0|1,0,1]=4 940 B17R0.250 C=CCC(C)COCCCCCCCCCCC 34a_100009832082_100011215454 [1,1,0,0,0,0|2,0,0]=4 941 B17R0.250 C=CCC(C)COCCCCCCCCCCC 7a_100009832082_100011215454 [1,1,0,0,0,0|2,0,0]=4 942 B17R0.250 C=CCCCCCCCCCCCC(=O)CCC 1458a_100000211992_102130925996 [1,1,0,0,0,0|1,0,1]=4 943 B17R0.250 C=CCCCCCCCCCCCN(C)CCC 2230a_100000747261_102130925996 [1,1,0,0,0,0|2,0,0]=4 944 B17R0.250 C=CCCCCCCCCCCCN(C)CCC 269982a_100000747261_102130925996 [1,1,0,0,0,0|2,0,0]=4 945 B17R0.250 C=CCCCCCCCCCCNC(C)CCC 2230a_100000741246_100011093070 [1,1,0,0,0,0|2,0,0]=4 946 B17R0.250 C=CCCCCCCCCCCOC(C)CCC 34a_100000764384_100011093070 [1,1,0,0,0,0|2,0,0]=4 947 B17R0.250 C=CCCCCCCCCCCOC(C)CCC 7a_100000764384_100011093070 [1,1,0,0,0,0|2,0,0]=4 948 B17R0.250 C=CCCCCCCCCCNCC(C)CCC 2230a_100000081888_100011216630 [1,1,0,0,0,0|2,0,0]=4 949 B17R0.250 C=CCCCCCCCCCNCC(C)CCC 270004a_100000081888_100000243154 [1,1,0,0,0,0|2,0,0]=4 950 B17R0.250 C=CCCCCCCCCCNCC(C)CCC 34a_100000081888_100011216630 [1,1,0,0,0,0|2,0,0]=4 951 B17R0.250 C=CCCCCCCCCCOCC(C)CCC 34a_100000038209_100011216630 [1,1,0,0,0,0|2,0,0]=4 952 B17R0.250 C=CCCCCCCCCCOCC(C)CCC 34a_100000688023_100009814027 [1,1,0,0,0,0|2,0,0]=4 953 B17R0.250 C=CCCCCCCCCCOCC(C)CCC 7a_100000038209_100011216630 [1,1,0,0,0,0|2,0,0]=4 954 B17R0.250 C=CCCCCCCCCCOCC(C)CCC 7a_100000688023_100009814027 [1,1,0,0,0,0|2,0,0]=4 955 B17R0.250 C=CCCCCCCCCOCCC(C)CCC 34a_100011217855_100011933949 [1,1,0,0,0,0|2,0,0]=4 956 B17R0.250 C=CCCCCCCCCOCCC(C)CCC 7a_100011217855_100011933949 [1,1,0,0,0,0|2,0,0]=4 957 B17R0.250 C=CCCCCCCCOCCCC(C)CCC 34a_100011713154_100012355270 [1,1,0,0,0,0|2,0,0]=4 958 B17R0.250 C=CCCCCCCCOCCCC(C)CCC 7a_100011713154_100012355270 [1,1,0,0,0,0|2,0,0]=4 959 B17R0.250 C=CCN(C)CCCCCCCCCCCCC 2230a_100000225617_100000210684 [1,1,0,0,0,0|2,0,0]=4 960 B17R0.250 C=CCN(C)CCCCCCCCCCCCC 269982a_100000225617_100000210684 [1,1,0,0,0,0|2,0,0]=4 961 B17R0.250 C=CCN(C)CCCCCCCCCCCCC 270004a_100000225617_200011215488 [1,1,0,0,0,0|2,0,0]=4 962 B17R0.250 C=CC[C@@H](C)OCCCCCCCCCCCC 34a_100000731007_100000759014 [1,1,0,0,0,0|2,0,0]=4 963 B17R0.250 C=CC[C@@H](C)OCCCCCCCCCCCC 7a_100000731007_100000759014 [1,1,0,0,0,0|2,0,0]=4 964 B17R0.250 CCCC(C)CSCCCCCCCCCCO 62a_100009813290_100011216630 [1,1,0,0,0,0|1,0,1]=4 965 B17R0.250 CCCC(C)CSCCCCCCCCCCO 62a_100011216630_200000033068 [1,1,0,0,0,0|1,0,1]=4 966 B17R0.250 CCCC(C)SCCCCCCCCCCCO 62a_100009812471_100000766640 [1,1,0,0,0,0|1,0,1]=4 967 B17R0.250 CCCCCCCCCCCCSC(C)CCO 62a_100009893172_100000759014 [1,1,0,0,0,0|1,0,1]=4 968 B17R0.3110 C=CCCCC(=O)CCCCCCCCCCC 1458a_100000210736_100000757094 [1,1,0,0,0,0|1,0,1]=4 969 B17R0.3110 C=CCCCC(=O)CCCCCCCCCCC 1458a_100000766728_100011215454 [1,1,0,0,0,0|1,0,1]=4 970 B17R0.3110 C=CCCCCCCCCCC(=O)CCCCC 1458a_100000212188_100009814027 [1,1,0,0,0,0|1,0,1]=4 971 B17R0.3110 C=CCCCCCCCCCN(C)CCCCC 2230a_100000223495_100009814027 [1,1,0,0,0,0|2,0,0]=4 972 B17R0.3110 C=CCCCCCCCCCN(C)CCCCC 269982a_100000223495_100009814027 [1,1,0,0,0,0|2,0,0]=4 973 B17R0.3110 C=CCCCCCCCCNC(C)CCCCC 2230a_100000211957_100011933949 [1,1,0,0,0,0|2,0,0]=4 974 B17R0.3110 C=CCCCCCCCCOC(C)CCCCC 34a_100011215194_200011218191 [1,1,0,0,0,0|2,0,0]=4 975 B17R0.3110 C=CCCCCCCCCOC(C)CCCCC 34a_100011215632_100011933949 [1,1,0,0,0,0|2,0,0]=4 976 B17R0.3110 C=CCCCCCCCCOC(C)CCCCC 7a_100011215194_200011218191 [1,1,0,0,0,0|2,0,0]=4 977 B17R0.3110 C=CCCCCCCCCOC(C)CCCCC 7a_100011215632_100011933949 [1,1,0,0,0,0|2,0,0]=4 978 B17R0.3110 C=CCCNC(C)CCCCCCCCCCC 270004a_100015191253_100011216755 [1,1,0,0,0,0|2,0,0]=4 979 B17R0.3110 C=CCCOC(C)CCCCCCCCCCC 34a_100011217895_100000754431 [1,1,0,0,0,0|2,0,0]=4 980 B17R0.3110 C=CCCOC(C)CCCCCCCCCCC 7a_100011217895_100000754431 [1,1,0,0,0,0|2,0,0]=4 981 B17R0.3110 CCCCCC(C)SCCCCCCCCCO 62a_100009813782_200011218191 [1,1,0,0,0,0|1,0,1]=4 982 B17R0.3110 CCCCCC(C)SCCCCCCCCCO 62a_200011218191_100009813782 [1,1,0,0,0,0|1,0,1]=4 983 B17R0.8809 C=CCCCCCC(=O)CCCCCCCCC 1458a_100000210558_100000700193 [1,1,0,0,0,0|1,0,1]=4 984 B17R0.8809 C=CCCCCCC(=O)CCCCCCCCC 1458a_100011934241_100000210670 [1,1,0,0,0,0|1,0,1]=4 985 B17R0.8809 C=CCCCCCCCC(=O)CCCCCCC 1458a_100000211969_100012355270 [1,1,0,0,0,0|1,0,1]=4 986 B17R0.8809 C=CCCCCCCCC(=O)CCCCCCC 1458a_100011216160_100000210614 [1,1,0,0,0,0|1,0,1]=4 987 B17R0.8809 C=CCCCCCCCN(C)CCCCCCC 2230a_100000228206_100012355270 [1,1,0,0,0,0|2,0,0]=4 988 B17R0.8809 C=CCCCCCCCN(C)CCCCCCC 269982a_100000228206_100012355270 [1,1,0,0,0,0|2,0,0]=4 989 B17R0.8809 C=CCCCCCCOC(C)CCCCCCC 34a_200011215852_100011215473 [1,1,0,0,0,0|2,0,0]=4 990 B17R0.8809 C=CCCCCCCOC(C)CCCCCCC 34a_200011216477_200011218727 [1,1,0,0,0,0|2,0,0]=4 991 B17R0.8809 C=CCCCCCCOC(C)CCCCCCC 7a_200011215852_100011215473 [1,1,0,0,0,0|2,0,0]=4 992 B17R0.8809 C=CCCCCCCOC(C)CCCCCCC 7a_200011216477_200011218727 [1,1,0,0,0,0|2,0,0]=4 993 B17R0.8809 C=CCCCCCN(C)CCCCCCCCC 2230a_100000232482_100000700193 [1,1,0,0,0,0|2,0,0]=4 994 B17R0.8809 C=CCCCCCN(C)CCCCCCCCC 269982a_100000232482_100000700193 [1,1,0,0,0,0|2,0,0]=4 995 B17R0.8809 C=CCCCCNC(C)CCCCCCCCC 270004a_100000703577_100011215753 [1,1,0,0,0,0|2,0,0]=4 996 B17R0.8809 C=CCCCCOC(C)CCCCCCCCC 34a_100011218016_100011215482 [1,1,0,0,0,0|2,0,0]=4 997 B17R0.8809 C=CCCCCOC(C)CCCCCCCCC 7a_100011218016_100011215482 [1,1,0,0,0,0|2,0,0]=4 998 B17R0.8809 C=CCCCNCC(C)CCCCCCCCC 270004a_100000700776_200011218516 [1,1,0,0,0,0|2,0,0]=4 999 B17R0.8809 CCCCCCCC(C)SCCCCCCCO 62a_100000760002_200011218727 [1,1,0,0,0,0|1,0,1]=4 1000 B17R0.8809 CCCCCCCC(C)SCCCCCCCO 62a_200011218727_100000760002 [1,1,0,0,0,0|1,0,1]=4 1001 B17R0.12412 C=CCCCCC(=O)CCCCCCCCCC 1458a_100000210375_100011215482 [1,1,0,0,0,0|1,0,1]=4 1002 B17R0.12412 C=CCCCCC(=O)CCCCCCCCCC 1458a_100011215552_100000210319 [1,1,0,0,0,0|1,0,1]=4 1003 B17R0.12412 C=CCCCCCCCCC(=O)CCCCCC 1458a_100000211349_100000210757 [1,1,0,0,0,0|1,0,1]=4 1004 B17R0.12412 C=CCCCCCCCCC(=O)CCCCCC 1458a_100102632555_100011933949 [1,1,0,0,0,0|1,0,1]=4 1005 B17R0.12412 C=CCCCCCCCCN(C)CCCCCC 2230a_106256046315_100011933949 [1,1,0,0,0,0|2,0,0]=4 1006 B17R0.12412 C=CCCCCCCCCN(C)CCCCCC 269982a_106256046315_100011933949 [1,1,0,0,0,0|2,0,0]=4 1007 B17R0.12412 C=CCCCCCCCNC(C)CCCCCC 2230a_100000210919_100012355270 [1,1,0,0,0,0|2,0,0]=4 1008 B17R0.12412 C=CCCCCCCCNC(C)CCCCCC 34a_100000210919_100012355270 [1,1,0,0,0,0|2,0,0]=4 1009 B17R0.12412 C=CCCCCCCCOC(C)CCCCCC 34a_100000210265_100012355270 [1,1,0,0,0,0|2,0,0]=4 1010 B17R0.12412 C=CCCCCCCCOC(C)CCCCCC 34a_100000730831_100011215978 [1,1,0,0,0,0|2,0,0]=4 1011 B17R0.12412 C=CCCCCCCCOC(C)CCCCCC 7a_100000210265_100012355270 [1,1,0,0,0,0|2,0,0]=4 1012 B17R0.12412 C=CCCCCCCCOC(C)CCCCCC 7a_100000730831_100011215978 [1,1,0,0,0,0|2,0,0]=4 1013 B17R0.12412 C=CCCCCCOCCC(C)CCCCCC 34a_200011024964_100000700193 [1,1,0,0,0,0|2,0,0]=4 1014 B17R0.12412 C=CCCCCCOCCC(C)CCCCCC 7a_200011024964_100000700193 [1,1,0,0,0,0|2,0,0]=4 1015 B17R0.12412 C=CCCCCN(C)CCCCCCCCCC 2230a_100000207566_100011215482 [1,1,0,0,0,0|2,0,0]=4 1016 B17R0.12412 C=CCCCCN(C)CCCCCCCCCC 2230a_100012000471_100000210320 [1,1,0,0,0,0|2,0,0]=4 1017 B17R0.12412 C=CCCCCN(C)CCCCCCCCCC 269982a_100000207566_100011215482 [1,1,0,0,0,0|2,0,0]=4 1018 B17R0.12412 C=CCCCCN(C)CCCCCCCCCC 269982a_100012000471_100000210320 [1,1,0,0,0,0|2,0,0]=4 1019 B17R0.12412 C=CCCCNC(C)CCCCCCCCCC 270004a_100000700776_200011219864 [1,1,0,0,0,0|2,0,0]=4 1020 B17R0.12412 C=CCCCOC(C)CCCCCCCCCC 34a_100011215000_100000757094 [1,1,0,0,0,0|2,0,0]=4 1021 B17R0.12412 C=CCCCOC(C)CCCCCCCCCC 7a_100011215000_100000757094 [1,1,0,0,0,0|2,0,0]=4 1022 B17R0.12412 CCCCCCC(C)SCCCCCCCCO 62a_100000033203_100011215978 [1,1,0,0,0,0|1,0,1]=4 1023 B17R0.12412 CCCCCCC(C)SCCCCCCCCO 62a_100011215978_100000033203 [1,1,0,0,0,0|1,0,1]=4 1024 B19R0.12921 CCCCC(C)SCCCCCCCCCC(=O)OC 62a_200011215066_100009813843 [0,2,0,0,0,0|1,0,0]=3 1025 B19R0.26214 CCCCCCCCCC(C)OCCCCSC(=O)C 34a_100011218016_200010402107 [0,2,0,0,0,0|2,0,0]=4 1026 B19R0.26214 CCCCCCCCCC(C)OCCCCSC(=O)C 7a_100011218016_200010402107 [0,2,0,0,0,0|2,0,0]=4 1027 B19R0.3040 CCCC(=O)CCCCCCCCCCCSC(=O)C 1458a_100000211992_100010140907 [0,2,0,0,0,0|1,0,1]=4 1028 B19R0.3040 CCCN(C)CCCCCCCCCCCSC(=O)C 2230a_100000747261_100010140907 [0,2,0,0,0,0|2,0,0]=4 1029 B19R0.3040 CCCN(C)CCCCCCCCCCCSC(=O)C 269982a_100000747261_100010140907 [0,2,0,0,0,0|2,0,0]=4 1030 B19R0.21221 CCC(C)CSCCCCCCCCCCC(=O)OC 62a_100000748023_100009812566 [0,2,0,0,0,0|1,0,0]=3 1031 B19R0.21221 CCC(C)SCCCCCCCCCCCC(=O)OC 62a_100000758301_100010983606 [0,2,0,0,0,0|1,0,0]=3 1032 B19R0.21221 CC[C@H](C)CSCCCCCCCCCCC(=O)OC 62a_100009816398_100009812566 [0,2,0,0,0,0|1,0,0]=3 1033 B19R0.59 CCCCCCCC(C)NCCCCCCSC(=O)C 270004a_100000704104_100000210596 [0,2,0,0,0,0|2,0,0]=4 1034 B19R0.14260 CCCCCCC(C)SCCCCCCCC(=O)OC 62a_100010004213_100011215978 [0,2,0,0,0,0|1,0,0]=3 1035 B19R0.14260 CCCCCCC(C)SCCCCCCCC(=O)OC 62a_100011215978_100010004213 [0,2,0,0,0,0|1,0,0]=3 1036 B19R0.148 C/C=C/CSCCCCCCCCCCCC(=O)OC 62a_100102629194_100010983606 [0,2,0,0,0,0|0,0,2]=4 1037 B19R0.148 CC/C=C\CCSCCCCCCCCCC(=O)OC 62a_100015370543_100009813843 [0,2,0,0,0,0|0,0,2]=4 1038 B19R0.148 CC/C=C\CSCCCCCCCCCCC(=O)OC 62a_100103147603_100009812566 [0,2,0,0,0,0|0,0,2]=4 1039 B19R0.148 CC=CCSCCCCCCCCCCCC(=O)OC 62a_100000070051_100010983606 [0,2,0,0,0,0|0,0,2]=4 1040 B19R0.148 CCCCCCCCCCCCCCCNC(=O)NC 2708a_100102657272_200000297553 [0,2,0,0,0,0|1,0,0]=3 1041 B19R0.148 CCCCCCCCCCCCCCCNC(=O)NC 2708a_200000297553_106832991635 [0,2,0,0,0,0|1,0,0]=3 1042 B19R0.148 CCCCCCCCCCCCCCCNC(=O)NC 273464a_100102657272_200000297553 [0,2,0,0,0,0|1,0,0]=3 1043 B19R0.148 CCCCCCCCCCCCCCCNC(=O)NC 273464a_200000297553_100102657272 [0,2,0,0,0,0|1,0,0]=3 1044 B19R0.148 CCCCCCCCCCCCCCCNC(=O)NC 512a_106832991638_200000297553 [0,2,0,0,0,0|1,0,0]=3 1045 B19R0.148 CCCCCCCCCCCCCCCNC(=O)NC 512a_200000297553_100102657272 [0,2,0,0,0,0|1,0,0]=3 1046 B19R0.148 CCCCCCCCCCCCSC/C=C/C(=O)OC 62a_100000742655_100000759014 [0,2,0,0,0,0|0,0,2]=4 1047 B19R0.148 CCCCCCCCCCCCSCCOC(=O)NC 62a_200011997002_100000759014 [0,2,0,0,0,0|2,0,0]=4 1048 B19R0.153 C=C(Br)C(=O)NCCCCCCCCCCCCCC 11a_100011217771_100009813364 [0,2,0,0,0,0|2,0,0]=4 1049 B19R0.153 C=C(Br)C(=O)NCCCCCCCCCCCCCC 1626a_100011217771_100009813364 [0,2,0,0,0,0|2,0,0]=4 1050 B19R0.153 C=C(C)C(=O)NCCCCCCCCCCCCCC 11a_100011217771_100000185857 [0,2,0,0,0,0|2,0,0]=4 1051 B19R0.153 C=C(C)C(=O)NCCCCCCCCCCCCCC 1626a_100011217771_100000185857 [0,2,0,0,0,0|2,0,0]=4 1052 B19R0.153 C=C(Cl)C(=O)NCCCCCCCCCCCCCC 11a_100011217771_100000039160 [0,2,0,0,0,0|2,0,0]=4 1053 B19R0.153 C=C(Cl)C(=O)NCCCCCCCCCCCCCC 1626a_100011217771_100000039160 [0,2,0,0,0,0|2,0,0]=4 1054 B19R0.153 C=C(F)C(=O)NCCCCCCCCCCCCCC 11a_100011217771_100000036797 [0,2,0,0,0,0|2,0,0]=4 1055 B19R0.153 C=C(F)C(=O)NCCCCCCCCCCCCCC 1626a_100011217771_100000036797 [0,2,0,0,0,0|2,0,0]=4 1056 B19R0.153 CCCCCCCCCCCCCCCC(=O)N(C)C 11a_100102631434_100000610636 [0,2,0,0,0,0|1,0,0]=3 1057 B19R0.153 CCCCCCCCCCCCCCCC(=O)N(C)C 1626a_100102631434_100000610636 [0,2,0,0,0,0|1,0,0]=3 1058 B19R0.153 CCCCCCCCCCCCCCCC(=O)N(C)C 240690a_100102631434_100000610636 [0,2,0,0,0,0|1,0,0]=3 1059 B19R0.153 CCCCCCCCCCCCCCNC(=O)C(C)C 11a_100011217771_100000210198 [0,2,0,0,0,0|2,0,0]=4 1060 B19R0.153 CCCCCCCCCCCCCCNC(=O)C(C)C 1626a_100011217771_100000210198 [0,2,0,0,0,0|2,0,0]=4 1061 B19R0.153 CCCCCCCCCCCCCCNC(=O)C(C)C 240690a_100011217771_100000210198 [0,2,0,0,0,0|2,0,0]=4 1062 B19R0.153 CCCCCCCCCCCCCCNC(=O)C(C)C 527a_100011217771_100000210198 [0,2,0,0,0,0|2,0,0]=4 1063 B19R0.153 CCCCCCCCCCCCCCNC(=O)C(C)F 11a_100011217771_100000062450 [0,2,0,0,0,0|2,0,0]=4 1064 B19R0.153 CCCCCCCCCCCCCCNC(=O)C(C)F 1626a_100011217771_100000062450 [0,2,0,0,0,0|2,0,0]=4 1065 B19R0.153 CCCCCCCCCCCCCCNC(=O)C(C)F 240690a_100011217771_100000062450 [0,2,0,0,0,0|2,0,0]=4 1066 B19R0.153 CCCCCCCCCCCCCCNC(=O)C(C)F 527a_100011217771_100000062450 [0,2,0,0,0,0|2,0,0]=4 1067 B19R0.153 CCCCCCCCCCCCCCNC(=O)C(F)F 11a_100011217771_100000210393 [0,2,0,0,0,0|2,0,0]=4 1068 B19R0.153 CCCCCCCCCCCCCCNC(=O)C(F)F 1626a_100011217771_100000210393 [0,2,0,0,0,0|2,0,0]=4 1069 B19R0.153 CCCCCCCCCCCCCCNC(=O)C(F)F 240690a_100011217771_100000210393 [0,2,0,0,0,0|2,0,0]=4 1070 B19R0.153 CCCCCCCCCCCCCCNC(=O)C(F)F 527a_100011217771_100000210393 [0,2,0,0,0,0|2,0,0]=4 1071 B19R0.153 CCCCCCCCCCCCCSCC(=O)N(C)C 62a_100000692301_100011934334 [0,2,0,0,0,0|2,0,0]=4 1072 B19R0.153 CCCCCCCCCCCCSCCC(=O)N(C)C 11a_100102631434_100008107568 [0,2,0,0,0,0|2,0,0]=4 1073 B19R0.153 CCCCCCCCCCCCSCCC(=O)N(C)C 1626a_100102631434_100008107568 [0,2,0,0,0,0|2,0,0]=4 1074 B19R0.153 CCCCCCCCCCCCSCCC(=O)N(C)C 240690a_100102631434_100008107568 [0,2,0,0,0,0|2,0,0]=4 1075 B19R0.153 CCCCCCCCCCCCSCCC(=O)N(C)C 62a_100000737620_100000759014 [0,2,0,0,0,0|2,0,0]=4 1076 B19R0.153 CCCCCCCCCCCSCCCC(=O)N(C)C 62a_100000737642_100011215454 [0,2,0,0,0,0|2,0,0]=4 1077 B19R0.153 CCCCCCCCCCSCCCCC(=O)N(C)C 62a_100000752486_100000210320 [0,2,0,0,0,0|2,0,0]=4 1078 B19R0.182 CC=CC(=O)NCCCCCCCCCCCCCC 11a_100011217771_100000210699 [0,2,0,0,0,0|2,0,0]=4 1079 B19R0.182 CC=CC(=O)NCCCCCCCCCCCCCC 1626a_100011217771_100000210699 [0,2,0,0,0,0|2,0,0]=4 1080 B19R0.182 CC=CC(=O)NCCCCCCCCCCCCCC 240690a_100011217771_100000210699 [0,2,0,0,0,0|2,0,0]=4 1081 B19R0.182 CCCCCCCCCCCCCCNC(=O)C=CBr 1626a_100011217771_100016273825 [0,2,0,0,0,0|2,0,0]=4 1082 B19R0.182 CCCCCCCCCCCCCCNC(=O)C=CBr 240690a_100011217771_100016273825 [0,2,0,0,0,0|2,0,0]=4 1083 B19R0.182 CCCCCCCCCCCCCCNC(=O)C=CCl 11a_100011217771_200016279998 [0,2,0,0,0,0|2,0,0]=4 1084 B19R0.182 CCCCCCCCCCCCCCNC(=O)C=CCl 1626a_100011217771_200016279998 [0,2,0,0,0,0|2,0,0]=4 1085 B19R0.182 CCCCCCCCCCCCCCNC(=O)C=CCl 240690a_100011217771_200016279998 [0,2,0,0,0,0|2,0,0]=4 1086 B19R0.182 CCCCCCCCCCCCCCNC(=O)C=CI 1626a_100011217771_100016256311 [0,2,0,0,0,0|2,0,0]=4 1087 B19R0.182 CCCCCCCCCCCCCCNC(=O)NCC 2708a_100011217771_100015525214 [0,2,0,0,0,0|2,0,0]=4 1088 B19R0.182 CCCCCCCCCCCCCCNC(=O)NCC 2708a_100015525214_100011217771 [0,2,0,0,0,0|2,0,0]=4 1089 B19R0.182 CCCCCCCCCCCCCCNC(=O)NCC 273464a_100011217771_100015525214 [0,2,0,0,0,0|2,0,0]=4 1090 B19R0.182 CCCCCCCCCCCCCCNC(=O)NCC 273464a_100015525214_100011217771 [0,2,0,0,0,0|2,0,0]=4 1091 B19R0.182 CCCCCCCCCCCCCCNC(=O)NCC 512a_100011217771_100015525214 [0,2,0,0,0,0|2,0,0]=4 1092 B19R0.182 CCCCCCCCCCCCCCNC(=O)NCC 512a_100015525214_100011217771 [0,2,0,0,0,0|2,0,0]=4 1093 B19R0.1315 CCCC(C)CSCCCCCCCCCC(=O)OC 62a_100011216630_100009813843 [0,2,0,0,0,0|1,0,0]=3 1094 B19R0.1315 CCCC(C)SCCCCCCCCCCC(=O)OC 62a_100000766640_100009812566 [0,2,0,0,0,0|1,0,0]=3 1095 B19R0.3054 CCCCCCCC(C)SCCCCCCC(=O)OC 62a_100009815986_200011218727 [0,2,0,0,0,0|1,0,0]=3 1096 B19R0.3054 CCCCCCCC(C)SCCCCCCC(=O)OC 62a_200011218727_100009815986 [0,2,0,0,0,0|1,0,0]=3 1097 B19R0.3096 CCCCCCCCCCCCSC(C)CC(=O)OC 62a_100009817358_100000759014 [0,2,0,0,0,0|1,0,0]=3 1098 B19R0.18068 CCCCCCCCCCCCC(C)SCC(=O)NC 62a_100000183359_200011217028 [0,2,0,0,0,0|2,0,0]=4 1099 B19R0.18068 CCCCCCCCCCCCC(C)SCC(=O)NC 62a_200011217028_100000183359 [0,2,0,0,0,0|2,0,0]=4 1100 B19R0.18068 CCCCCCCCCCCCC(C)SCC(=O)OC 62a_100000747449_200011217028 [0,2,0,0,0,0|1,0,0]=3 1101 B19R0.18068 CCCCCCCCCCCCC(C)SCC(=O)OC 62a_200011217028_100000747449 [0,2,0,0,0,0|1,0,0]=3 1102 B19R0.21384 C=C(C)CCSCCCCCCCCCCC(=O)OC 62a_100000730704_100009812566 [0,2,0,0,0,0|1,0,1]=4 1103 B19R0.21384 C=C(C)CSCCCCCCCCCCCC(=O)OC 62a_100000748629_100010983606 [0,2,0,0,0,0|1,0,1]=4 1104 B19R0.21384 CCC(C)NCCCCCCCCCCCSC(=O)C 2230a_100000209981_100010140907 [0,2,0,0,0,0|2,0,0]=4 1105 B19R0.21384 CCC(C)OCCCCCCCCCCCSC(=O)C 7a_100000210228_100010140907 [0,2,0,0,0,0|2,0,0]=4 1106 B19R0.21384 COC(=O)CCCCCCCCCCCCSC(C)C 62a_100000210206_209314222159 [0,2,0,0,0,0|1,0,0]=3 1107 B19R0.21384 COC(=O)CCCCCCCCCCCSCC(C)C 62a_100000210624_100010983606 [0,2,0,0,0,0|1,0,0]=3 1108 B19R0.21384 COC(=O)CCCCCCCCCCCSCC(F)F 62a_100011934356_100010983606 [0,2,0,0,0,0|2,0,0]=4 1109 B19R0.21384 COC(=O)CCCCCCCCCCSCCC(C)C 62a_100000210312_100009812566 [0,2,0,0,0,0|1,0,0]=3 1110 B19R0.21384 COC(=O)CCCCCCCCCSCCCC(C)C 62a_100011214892_100009813843 [0,2,0,0,0,0|1,0,0]=3 1111 B19R0.21384 COC(=O)CCCCCCCCCSCCSC(C)C 62a_100000730970_100009813843 [0,2,0,0,0,0|2,0,0]=4 1112 B19R0.21384 COC(=O)CCCCCCCCSCCCCC(C)C 62a_100010282707_100011216152 [0,2,0,0,0,0|1,0,0]=3 1113 B19R0.21384 COC(=O)CCCCCCCCSCCCCC(C)C 62a_100011216152_100010282707 [0,2,0,0,0,0|1,0,0]=3 1114 B19R0.21384 COC(=O)CCCCCCCSCCCCCC(C)C 62a_100000210682_100010004213 [0,2,0,0,0,0|1,0,0]=3 1115 B19R0.21384 COC(=O)CCCCCCCSCCCCCC(C)C 62a_100010004213_100000210682 [0,2,0,0,0,0|1,0,0]=3 1116 B19R0.25650 C=C(CSCCCCCCCCCCCC)C(=O)OC 62a_100009813391_100000759014 [0,2,0,0,0,0|1,0,1]=4 1117 B19R0.25650 CCCCCCCCCCCCCCC(C)C(=O)NC 11a_106832991635_100009708034 [0,2,0,0,0,0|1,0,0]=3 1118 B19R0.25650 CCCCCCCCCCCCCCC(C)C(=O)NC 1626a_100102657272_100009708034 [0,2,0,0,0,0|1,0,0]=3 1119 B19R0.25650 CCCCCCCCCCCCCCC(C)C(=O)NC 240690a_100102657272_100009708034 [0,2,0,0,0,0|1,0,0]=3 1120 B19R0.25650 CCCCCCCCCCCCCSC(C)C(=O)NC 62a_100000209862_100011934334 [0,2,0,0,0,0|2,0,0]=4 1121 B19R0.25650 CCCCCCCCCCCCCSC(C)C(=O)OC 62a_100000211248_100011934334 [0,2,0,0,0,0|1,0,0]=3 1122 B19R0.25650 CCCCCCCCCCCCCSC(F)C(=O)NC 62a_100009813575_100011934334 [0,2,0,0,0,0|2,0,0]=4 1123 B19R0.25650 CCCCCCCCCCCCSCC(C)C(=O)OC 62a_100000698445_100000759014 [0,2,0,0,0,0|1,0,0]=3 1124 B19R0.25650 CCCCCCCCCCCSCCC(C)C(=O)OC 62a_100000034942_100011215454 [0,2,0,0,0,0|1,0,0]=3 1125 B19R0.25739 CCCCCC(C)SCCCCCCCCC(=O)OC 62a_100010282707_200011218191 [0,2,0,0,0,0|1,0,0]=3 1126 B19R0.25739 CCCCCC(C)SCCCCCCCCC(=O)OC 62a_200011218191_100010282707 [0,2,0,0,0,0|1,0,0]=3 1127 B19R0.3106 CCCCCCCCCCCCC(C)OC(C)C(=O)C 34a_100000212229_200011217028 [0,2,0,0,0,0|2,0,0]=4 1128 B19R0.3106 CCCCCCCCCCCCC(C)OC(C)C(=O)C 7a_200011215752_100000179758 [0,2,0,0,0,0|2,0,0]=4 1129 B19R0.3106 CCCCCCCCCCCCC(C)SC(C)C(=O)N 62a_100000702099_200011217028 [0,2,0,0,0,0|2,0,0]=4 1130 B19R0.3106 CCCCCCCCCCCCC(C)SC(C)C(=O)N 62a_200011217028_100000702099 [0,2,0,0,0,0|2,0,0]=4 1131 B19R0.3106 CCCCCCCCCCCCC(C)SC(F)C(=O)N 62a_100009813875_200011217028 [0,2,0,0,0,0|2,0,0]=4 1132 B19R0.3106 CCCCCCCCCCCCC(C)SC(F)C(=O)N 62a_200011217028_100009813875 [0,2,0,0,0,0|2,0,0]=4 1133 B19R0.25647 CCCCCCCCCCCCCC(=O)C(C)C(=O)C 1458a_100000756256_100000179758 [0,2,0,0,0,0|1,0,1]=4 1134 B19R0.25812 CCCCCCCCCCCCCOC(C)(C)C(=O)C 34a_100000747739_100000210684 [0,2,0,0,0,0|2,0,0]=4 1135 B19R0.25812 CCCCCCCCCCCCCOC(C)(C)C(=O)C 7a_100000185773_100000075568 [0,2,0,0,0,0|2,0,0]=4 1136 B19R0.25812 CCCCCCCCCCCCCOC(C)(C)C(=O)C 7a_100000747739_100000210684 [0,2,0,0,0,0|2,0,0]=4 1137 B19R0.25812 CCCCCCCCCCCCCSC(C)(C)C(=O)N 62a_100000702505_100011934334 [0,2,0,0,0,0|2,0,0]=4 1138 B19R0.25812 CCCCCCCCCCCCCSC(F)(F)C(=O)N 62a_100009811971_100011934334 [0,2,0,0,0,0|2,0,0]=4 1139 B19R0.25812 CCCCCCCCCCCCSCC(C)(C)C(=O)N 62a_200009895572_100000759014 [0,2,0,0,0,0|2,0,0]=4 1140 B19R0.35 CCCCCCCCCCCCCSC(C)OC(=O)C 62a_100009818208_100011934334 [0,2,0,0,0,0|2,0,0]=4 1141 B19R0.71 CCCCCCCCC(C)COCCCCSC(=O)C 34a_200012125181_200010402107 [0,2,0,0,0,0|2,0,0]=4 1142 B19R0.71 CCCCCCCCC(C)COCCCCSC(=O)C 7a_200012125181_200010402107 [0,2,0,0,0,0|2,0,0]=4 1143 B19R0.92 CCCCCCCCCCCCC(=O)CCSC(=O)C 1458a_100000048949_100000759014 [0,2,0,0,0,0|1,0,1]=4 1144 B19R0.92 CCCCCCCCCCCCC(C)OCOC(=O)C 34a_200011215752_100009813279 [0,2,0,0,0,0|2,0,0]=4 1145 B19R0.92 CCCCCCCCCCCCC(C)SCOC(=O)C 62a_100000076356_200011217028 [0,2,0,0,0,0|2,0,0]=4 1146 B19R0.92 CCCCCCCCCCCCC(C)SCOC(=O)C 62a_200011217028_100000076356 [0,2,0,0,0,0|2,0,0]=4 1147 B19R0.149 CCCCC#CCCCCCCSCCCCC(=O)C 62a_100000735457_200000043322 [0,2,0,0,0,0|1,0,1]=4 1148 B19R0.149 CCCCC#CCCCCCCSCCCCC(=O)C 62a_200000043322_100000735457 [0,2,0,0,0,0|1,0,1]=4 1149 B19R0.149 CCCCCCCCCCCCCCC=NNC(=O)C 4a_100000189765_100012088177 [0,2,0,0,0,0|1,0,1]=4 1150 B19R0.157 CCCCCCCCCCCCCC(=O)CSC(=O)C 1458a_100000049016_100000210684 [0,2,0,0,0,0|1,0,1]=4 1151 B19R0.157 CCCCCCCCCCCNCC(C)CSC(=O)C 2230a_200011215754_200000116872 [0,2,0,0,0,0|2,0,0]=4 1152 B19R0.157 CCCCCCCCCCCNCC(C)CSC(=O)C 34a_200011215754_200000116872 [0,2,0,0,0,0|2,0,0]=4 1153 B19R0.157 CCCCCCCCCCCOCC(C)CSC(=O)C 34a_100000210809_200000116872 [0,2,0,0,0,0|2,0,0]=4 1154 B19R0.157 CCCCCCCCCCCOCC(C)CSC(=O)C 7a_100000210809_200000116872 [0,2,0,0,0,0|2,0,0]=4 1155 B19R0.443 CC(=O)SCCCCCCCCCCCNCC(C)C 2230a_100000210953_100010140907 [0,2,0,0,0,0|2,0,0]=4 1156 B19R0.443 CC(=O)SCCCCCCCCCCCNCC(C)C 34a_100000210953_100010140907 [0,2,0,0,0,0|2,0,0]=4 1157 B19R0.443 CC(=O)SCCCCCCCCCCCOCC(C)Br 34a_100012180447_100010140907 [0,2,0,0,0,0|2,0,0]=4 1158 B19R0.443 CC(=O)SCCCCCCCCCCCOCC(C)C 34a_100000210257_100010140907 [0,2,0,0,0,0|2,0,0]=4 1159 B19R0.443 CC(=O)SCCCCCCCCCCCOCC(C)F 34a_100015925927_100010140907 [0,2,0,0,0,0|2,0,0]=4 1160 B19R0.443 CC(=O)SCCCCCCCCCCCOC[C@@H](C)Cl 34a_100016084084_100010140907 [0,2,0,0,0,0|2,0,0]=4 1161 B19R0.9205 CCCCCCCCCCCC(=O)CCCSC(=O)C 1458a_100000210736_100000038929 [0,2,0,0,0,0|1,0,1]=4 1162 B19R0.23236 CCCCCCCCCCC(=O)CCCCSC(=O)C 1458a_100000210375_200010402107 [0,2,0,0,0,0|1,0,1]=4 1163 B19R0.23236 CCCCCCCCCCC(C)OCCCSC(=O)C 34a_100011215000_100000038929 [0,2,0,0,0,0|2,0,0]=4 1164 B19R0.23236 CCCCCCCCCCC(C)OCCCSC(=O)C 7a_100011215000_100000038929 [0,2,0,0,0,0|2,0,0]=4 1165 B19R0.23236 CCCCCCCCCCN(C)CCCCSC(=O)C 2230a_100000207566_200010402107 [0,2,0,0,0,0|2,0,0]=4 1166 B19R0.23236 CCCCCCCCCCN(C)CCCCSC(=O)C 269982a_100000207566_200010402107 [0,2,0,0,0,0|2,0,0]=4 1167 B19R0.7346 CC(C)(C)CCSCCCCCCCCCCC(=O)N 62a_100000755188_200010167045 [0,2,0,0,0,0|2,0,0]=4 1168 B19R0.7346 CC(C)(C)CCSCCCCCCCCCCC(=O)N 62a_200010167045_100000755188 [0,2,0,0,0,0|2,0,0]=4 1169 B19R0.450 CC(C)CC(C)SCCCCCCCCCCC(=O)N 62a_100000731052_200010167045 [0,2,0,0,0,0|2,0,0]=4 1170 B19R0.450 CC(C)CC(C)SCCCCCCCCCCC(=O)N 62a_200010167045_100000731052 [0,2,0,0,0,0|2,0,0]=4 1171 B19R0.18098 CCCCCCCCCCCCOC(C)(C)CC(=O)C 7a_100000210262_100000759014 [0,2,0,0,0,0|2,0,0]=4 1172 B17R1.315 C=CCCCCCCOC1CCCCC1CC 34a_100000210738_100011215473 [1,0,0,1,0,0|2,0,0]=4 1173 B17R1.315 C=CCCCCCCOC1CCCCC1CC 7a_100000210738_100011215473 [1,0,0,1,0,0|2,0,0]=4 1174 B17R1.1242 C=CCCCCCCCCOC1CCCCC1 34a_100000210231_100011933949 [1,0,0,1,0,0|2,0,0]=4 1175 B17R1.1242 C=CCCCCCCCCOC1CCCCC1 34a_100011215194_100000210327 [1,0,0,1,0,0|2,0,0]=4 1176 B17R1.1242 C=CCCCCCCCCOC1CCCCC1 7a_100000210231_100011933949 [1,0,0,1,0,0|2,0,0]=4 1177 B17R1.1242 C=CCCCCCCCCOC1CCCCC1 7a_100011215194_100000210327 [1,0,0,1,0,0|2,0,0]=4 1178 B17R1.1242 C=CCCCCCCCCSC1CCCCC1 62a_100000210327_100011933949 [1,0,0,1,0,0|2,0,0]=4 1179 B17R1.1242 C=CCCCCCCCCSC1CCCCC1 62a_100011933949_100000210327 [1,0,0,1,0,0|2,0,0]=4 1180 B17R1.1242 C=CCCCCCCCOCC1CCCCC1 34a_100000212181_100012355270 [1,0,0,1,0,0|2,0,0]=4 1181 B17R1.1242 C=CCCCCCCCOCC1CCCCC1 34a_100000730831_100000211423 [1,0,0,1,0,0|2,0,0]=4 1182 B17R1.1242 C=CCCCCCCCOCC1CCCCC1 7a_100000212181_100012355270 [1,0,0,1,0,0|2,0,0]=4 1183 B17R1.1242 C=CCCCCCCCOCC1CCCCC1 7a_100000730831_100000211423 [1,0,0,1,0,0|2,0,0]=4 1184 B17R1.1242 C=CCCCCCCCSCC1CCCCC1 62a_100000211423_100012355270 [1,0,0,1,0,0|2,0,0]=4 1185 B17R1.1242 C=CCCCCCCCSCC1CCCCC1 62a_100012355270_100000211423 [1,0,0,1,0,0|2,0,0]=4 1186 B17R1.1242 C=CCCCCCCOCCC1CCCCC1 34a_100011217863_100011215473 [1,0,0,1,0,0|2,0,0]=4 1187 B17R1.1242 C=CCCCCCCOCCC1CCCCC1 34a_200011216477_100011209188 [1,0,0,1,0,0|2,0,0]=4 1188 B17R1.1242 C=CCCCCCCOCCC1CCCCC1 7a_100011217863_100011215473 [1,0,0,1,0,0|2,0,0]=4 1189 B17R1.1242 C=CCCCCCCOCCC1CCCCC1 7a_200011216477_100011273959 [1,0,0,1,0,0|2,0,0]=4 1190 B17R1.1242 C=CCCCCCCSCCC1CCCCC1 62a_100011215473_100012355289 [1,0,0,1,0,0|2,0,0]=4 1191 B17R1.1242 C=CCCCCCCSCCC1CCCCC1 62a_100012355289_100011215473 [1,0,0,1,0,0|2,0,0]=4 1192 B17R1.1242 C=CCCCCCOCCCC1CCCCC1 34a_100000198086_100000700193 [1,0,0,1,0,0|2,0,0]=4 1193 B17R1.1242 C=CCCCCCOCCCC1CCCCC1 34a_100011216702_100011713725 [1,0,0,1,0,0|2,0,0]=4 1194 B17R1.1242 C=CCCCCCOCCCC1CCCCC1 7a_100000198086_100000700193 [1,0,0,1,0,0|2,0,0]=4 1195 B17R1.1242 C=CCCCCCOCCCC1CCCCC1 7a_100011216702_100011713725 [1,0,0,1,0,0|2,0,0]=4 1196 B17R1.1242 C=CCCCCCSCCCC1CCCCC1 62a_100000700193_100011713725 [1,0,0,1,0,0|2,0,0]=4 1197 B17R1.1242 C=CCCCCCSCCCC1CCCCC1 62a_100011713725_100000700193 [1,0,0,1,0,0|2,0,0]=4 1198 B17R1.1242 C=CCCCCOCCCCC1CCCCC1 34a_100011215267_100011215482 [1,0,0,1,0,0|2,0,0]=4 1199 B17R1.1242 C=CCCCCOCCCCC1CCCCC1 7a_100011215267_100011215482 [1,0,0,1,0,0|2,0,0]=4 1200 B17R1.1242 CCCCCCCCCCOC1C=CCCC1 34a_100011215024_100000210320 [1,0,0,1,0,0|2,0,0]=4 1201 B17R1.1242 CCCCCCCCCCOC1C=CCCC1 7a_100000210711_100000751183 [1,0,0,1,0,0|2,0,0]=4 1202 B17R1.1242 CCCCCCCCCCSC1C=CCCC1 62a_100000751183_100000210320 [1,0,0,1,0,0|2,0,0]=4 1203 B17R1.1242 CCCCCCCCCSCC1CCCCO1 62a_100000211543_100000210670 [1,0,0,1,0,0|1,0,1]=4 1204 B17R1.1425 C=CCCCCCCCCCOC1CCCC1 34a_100000038209_100000179811 [1,0,0,1,0,0|2,0,0]=4 1205 B17R1.1425 C=CCCCCCCCCCOC1CCCC1 34a_100000210269_100009814027 [1,0,0,1,0,0|2,0,0]=4 1206 B17R1.1425 C=CCCCCCCCCCOC1CCCC1 7a_100000038209_100000179811 [1,0,0,1,0,0|2,0,0]=4 1207 B17R1.1425 C=CCCCCCCCCCOC1CCCC1 7a_100000210269_100009814027 [1,0,0,1,0,0|2,0,0]=4 1208 B17R1.1425 C=CCCCCCCCCCSC1CCCC1 62a_100009814027_100000179811 [1,0,0,1,0,0|2,0,0]=4 1209 B17R1.1425 C=CCCCCCCCCCSC1CCCC1 62a_100011217020_100009814027 [1,0,0,1,0,0|2,0,0]=4 1210 B17R1.1425 C=CCCCCCCCCOCC1CCCC1 34a_100000742336_100011933949 [1,0,0,1,0,0|2,0,0]=4 1211 B17R1.1425 C=CCCCCCCCCOCC1CCCC1 34a_100011215194_100000740388 [1,0,0,1,0,0|2,0,0]=4 1212 B17R1.1425 C=CCCCCCCCCOCC1CCCC1 7a_100000742336_100011933949 [1,0,0,1,0,0|2,0,0]=4 1213 B17R1.1425 C=CCCCCCCCCOCC1CCCC1 7a_100011215194_100000740388 [1,0,0,1,0,0|2,0,0]=4 1214 B17R1.1425 C=CCCCCCCCCSCC1CCCC1 62a_100000740388_100011933949 [1,0,0,1,0,0|2,0,0]=4 1215 B17R1.1425 C=CCCCCCCCCSCC1CCCC1 62a_100011933949_100000740388 [1,0,0,1,0,0|2,0,0]=4 1216 B17R1.1425 C=CCCCCCCCOCCC1CCCC1 34a_100000730831_100000760354 [1,0,0,1,0,0|2,0,0]=4 1217 B17R1.1425 C=CCCCCCCCOCCC1CCCC1 34a_100000749090_100012355270 [1,0,0,1,0,0|2,0,0]=4 1218 B17R1.1425 C=CCCCCCCCOCCC1CCCC1 7a_100000730831_100000760354 [1,0,0,1,0,0|2,0,0]=4 1219 B17R1.1425 C=CCCCCCCCOCCC1CCCC1 7a_100000749090_100012355270 [1,0,0,1,0,0|2,0,0]=4 1220 B17R1.1425 C=CCCCCCCCSCCC1CCCC1 62a_100000760354_100012355270 [1,0,0,1,0,0|2,0,0]=4 1221 B17R1.1425 C=CCCCCCCCSCCC1CCCC1 62a_100012355270_100000760354 [1,0,0,1,0,0|2,0,0]=4 1222 B17R1.1425 C=CCCCCCCOCCCC1CCCC1 34a_100011215328_100011215473 [1,0,0,1,0,0|2,0,0]=4 1223 B17R1.1425 C=CCCCCCCOCCCC1CCCC1 34a_200011216477_100011713738 [1,0,0,1,0,0|2,0,0]=4 1224 B17R1.1425 C=CCCCCCCOCCCC1CCCC1 7a_100011215328_100011215473 [1,0,0,1,0,0|2,0,0]=4 1225 B17R1.1425 C=CCCCCCCOCCCC1CCCC1 7a_200011216477_100011713738 [1,0,0,1,0,0|2,0,0]=4 1226 B17R1.1425 C=CCCCCCCSCCCC1CCCC1 62a_100011215473_100011713738 [1,0,0,1,0,0|2,0,0]=4 1227 B17R1.1425 C=CCCCCCCSCCCC1CCCC1 62a_100011713738_100011215473 [1,0,0,1,0,0|2,0,0]=4 1228 B17R1.1425 CCCCCCCCCCSCC1CCCO1 62a_100000203698_100000210320 [1,0,0,1,0,0|1,0,1]=4 1229 B17R1.1450 C=CCCCCCCCOC1CCCCC1C 34a_100000211207_100012355270 [1,0,0,1,0,0|2,0,0]=4 1230 B17R1.1450 C=CCCCCCCCOC1CCCCC1C 7a_100000211207_100012355270 [1,0,0,1,0,0|2,0,0]=4 1231 B17R1.5241 C=CCCCCCCCCOC1CCCC1C 34a_100011216460_100011933949 [1,0,0,1,0,0|2,0,0]=4 1232 B17R1.5241 C=CCCCCCCCCOC1CCCC1C 7a_100011216460_100011933949 [1,0,0,1,0,0|2,0,0]=4 1233 B17R1.6363 C=CCCOC1CCCCCCCCCCC1 34a_100000211378_100000754431 [1,0,0,1,0,0|2,0,0]=4 1234 B17R1.6363 C=CCCOC1CCCCCCCCCCC1 7a_100000211378_100000754431 [1,0,0,1,0,0|2,0,0]=4 1235 B17R1.7892 C=CCCCCCCCCCCOC1CCC1 34a_100000748187_100011093070 [1,0,0,1,0,0|2,0,0]=4 1236 B17R1.7892 C=CCCCCCCCCCCSC1CCC1 62a_100011093070_100000749161 [1,0,0,1,0,0|2,0,0]=4 1237 B17R1.7892 C=CCCCCCCCCCOCC1CCC1 34a_100000038209_100000763275 [1,0,0,1,0,0|2,0,0]=4 1238 B17R1.7892 C=CCCCCCCCCCOCC1CCC1 34a_100000760304_100009814027 [1,0,0,1,0,0|2,0,0]=4 1239 B17R1.7892 C=CCCCCCCCCCOCC1CCC1 7a_100000038209_100000763275 [1,0,0,1,0,0|2,0,0]=4 1240 B17R1.7892 C=CCCCCCCCCCSCC1CCC1 62a_100000763275_100009814027 [1,0,0,1,0,0|2,0,0]=4 1241 B17R1.7892 C=CCCCCCCCCCSCC1CCC1 62a_100009814027_100000763275 [1,0,0,1,0,0|2,0,0]=4 1242 B17R1.7892 CCCCCCCCCCCSCC1CCO1 62a_100000103362_100011215454 [1,0,0,1,0,0|1,0,1]=4 1243 B17R1.10640 C=CCCCCCOC1CCCCC1CCC 34a_100011217265_100000700193 [1,0,0,1,0,0|2,0,0]=4 1244 B17R1.10640 C=CCCCCCOC1CCCCC1CCC 7a_100011217265_100000700193 [1,0,0,1,0,0|2,0,0]=4 1245 B17R1.25275 C=CCCCCCCOC1CCCCCCC1 34a_100000210054_100011215473 [1,0,0,1,0,0|2,0,0]=4 1246 B17R1.25275 C=CCCCCCCOC1CCCCCCC1 7a_100000210054_100011215473 [1,0,0,1,0,0|2,0,0]=4 1247 B17R1.25275 C=CCCCCCOCC1CCCCCCC1 34a_100011216312_100000700193 [1,0,0,1,0,0|2,0,0]=4 1248 B17R1.25275 C=CCCCCCOCC1CCCCCCC1 7a_100011216312_100000700193 [1,0,0,1,0,0|2,0,0]=4 1249 B17R1.25275 CCCCCCCCOC1C=CCCCCC1 34a_100000688657_100000210759 [1,0,0,1,0,0|2,0,0]=4 1250 B17R1.27002 CNC1CCCCCCCCCCCCCC1 270004a_106832991635_100000040017 [1,0,0,1,0,0|2,0,0]=4 1251 B17R1.27002 COC1CCCCCCCCCCCCCC1 34a_200000037640_200000210301 [1,0,0,1,0,0|2,0,0]=4 1252 B17R1.27002 COC1CCCCCCCCCCCCCC1 7a_200000037640_200000210301 [1,0,0,1,0,0|2,0,0]=4 1253 B17R1.27002 [13CH3]OC1CCCCCCCCCCCCCC1 34a_200000037640_200025704644 [1,0,0,1,0,0|2,0,0]=4 1254 B17R1.27002 [13CH3]OC1CCCCCCCCCCCCCC1 7a_200000037640_200025704644 [1,0,0,1,0,0|2,0,0]=4 1255 B17R1.29199 C=CCCCCCCCOC1CCCCCC1 34a_100000210887_100012355270 [1,0,0,1,0,0|2,0,0]=4 1256 B17R1.29199 C=CCCCCCCCOC1CCCCCC1 34a_100000730831_100011217769 [1,0,0,1,0,0|2,0,0]=4 1257 B17R1.29199 C=CCCCCCCCOC1CCCCCC1 7a_100000210887_100012355270 [1,0,0,1,0,0|2,0,0]=4 1258 B17R1.29199 C=CCCCCCCCSC1CCCCCC1 62a_100011217769_100012355270 [1,0,0,1,0,0|2,0,0]=4 1259 B17R1.29199 C=CCCCCCCCSC1CCCCCC1 62a_100012355270_100011217769 [1,0,0,1,0,0|2,0,0]=4 1260 B17R1.29199 C=CCCCCCCOCC1CCCCCC1 34a_100000699130_100011215473 [1,0,0,1,0,0|2,0,0]=4 1261 B17R1.29199 C=CCCCCCCOCC1CCCCCC1 34a_200011216477_200000696569 [1,0,0,1,0,0|2,0,0]=4 1262 B17R1.29199 C=CCCCCCCOCC1CCCCCC1 7a_100000699130_100011215473 [1,0,0,1,0,0|2,0,0]=4 1263 B17R1.29199 C=CCCCCCCOCC1CCCCCC1 7a_200011216477_200000696569 [1,0,0,1,0,0|2,0,0]=4 1264 B17R1.29199 C=CCCCCCCSCC1CCCCCC1 62a_100011215473_200000696569 [1,0,0,1,0,0|2,0,0]=4 1265 B17R1.29199 C=CCCCCCCSCC1CCCCCC1 62a_200000696569_100011215473 [1,0,0,1,0,0|2,0,0]=4 1266 B19R1.7 CCCCCCCCCCCOC1CCC(=O)CC1 34a_100000764474_100011215454 [0,1,0,1,0,0|2,0,0]=4 1267 B19R1.7 CCCCCCCCCCCOC1CCC(=O)CC1 7a_100000764474_100011215454 [0,1,0,1,0,0|2,0,0]=4 1268 B19R1.274 CCCCCCCCCCCCOC1CCC(=O)C1 34a_100012614533_100000759014 [0,1,0,1,0,0|1,0,0]=3 1269 B19R1.46528 CCCCCCCCCCCCCOC1CCC1=O 34a_100000185773_100009892977 [0,1,0,1,0,0|2,0,0]=4 1270 B19R1.46528 CCCCCCCCCCCCCOC1CCC1=O 7a_100000185773_100009892977 [0,1,0,1,0,0|2,0,0]=4 1271 B19R1.46528 CCCCCCCCCCCCCSC1CCC1=O 62a_100009892977_100011934334 [0,1,0,1,0,0|2,0,0]=4 1272 B19R1.46528 CCCCCCCCCCCSCCC1CCC1=O 62a_200016118888_100011215454 [0,1,0,1,0,0|2,0,0]=4 1273 B19R1.970 CCCCCCCCCCCOC1CCCC(=O)C1 34a_100012613340_100011215454 [0,1,0,1,0,0|1,0,0]=3 1274 B19R1.5152 C=C1CC(C1)CNCCCCCCCCCCCC 2230a_100102567296_100011215052 [0,1,0,1,0,0|2,0,0]=4 1275 B19R1.5152 C=C1CC(C1)CNCCCCCCCCCCCC 270004a_100102567296_100011218549 [0,1,0,1,0,0|2,0,0]=4 1276 B19R1.5152 C=C1CC(C1)CNCCCCCCCCCCCC 34a_100102567296_100000759014 [0,1,0,1,0,0|2,0,0]=4 1277 B19R1.5152 C=C1CC(C1)COCCCCCCCCCCCC 34a_100011011225_100000759014 [0,1,0,1,0,0|2,0,0]=4 1278 B19R1.5152 C=C1CC(C1)NCCCCCCCCCCCCC 2230a_100132301982_100000210684 [0,1,0,1,0,0|2,0,0]=4 1279 B19R1.5152 C=C1CC(C1)NCCCCCCCCCCCCC 270004a_100132301982_200011215488 [0,1,0,1,0,0|2,0,0]=4 1280 B19R1.5152 CCCCCCCCCCCCCSC1CC(=O)C1 62a_100009894365_100011934334 [0,1,0,1,0,0|1,0,0]=3 1281 B19R1.5152 CCCCCCCCCCCCSCC1CC(=O)C1 62a_100009874392_100000759014 [0,1,0,1,0,0|1,0,0]=3 1282 B19R1.49099 CC(=O)SCCCCCCCCCCCSC1CC1 62a_100010140907_100000211595 [0,1,0,1,0,0|2,0,0]=4 1283 B19R1.49447 CC(=O)CCCOC1CCCCCCCCCCC1 34a_100000211378_100000685027 [0,1,0,1,0,0|1,0,0]=3 1284 B19R1.49447 CC(=O)CCCOC1CCCCCCCCCCC1 7a_100000211378_100011215641 [0,1,0,1,0,0|1,0,0]=3