0 B13R0.54 C=C(C)CCSCCCCCCCC 62a_100000210759_100000730704 [0,0,0,0,0,0|3,0,0]=3 1 B13R0.54 C=C(C)CCSCCCCCCCC 62a_100000730704_100000210317 [0,0,0,0,0,0|3,0,0]=3 2 B13R0.54 C=C(C)CSCCCCCCCCC 62a_100000748629_100000210670 [0,0,0,0,0,0|3,0,0]=3 3 B13R0.54 CCCCCCCCCCSC(C)C 62a_100000210206_100000210320 [0,0,0,0,0,0|3,0,1]=4 4 B13R0.54 CCCCCCCCCSCC(C)C 62a_100000210624_100000210670 [0,0,0,0,0,0|3,0,1]=4 5 B13R0.54 CCCCCCCCSCC=C(C)C 62a_100000210759_100000761012 [0,0,0,0,0,0|3,0,1]=4 6 B13R0.54 CCCCCCCCSCC=C(C)C 62a_100000761012_100000210317 [0,0,0,0,0,0|3,0,1]=4 7 B13R0.54 CCCCCCCCSCCC(C)C 62a_100000210312_100000210317 [0,0,0,0,0,0|3,0,1]=4 8 B13R0.54 CCCCCCCCSCCC(C)C 62a_100000210759_100000210312 [0,0,0,0,0,0|3,0,1]=4 9 B13R0.54 CCCCCCCSCCC=C(C)C 62a_100000210614_100011217483 [0,0,0,0,0,0|3,0,1]=4 10 B13R0.54 CCCCCCCSCCC=C(C)C 62a_100011217483_100000210316 [0,0,0,0,0,0|3,0,1]=4 11 B13R0.54 CCCCCCCSCCCC(C)C 62a_100000210614_100011214892 [0,0,0,0,0,0|3,0,1]=4 12 B13R0.54 CCCCCCCSCCCC(C)C 62a_100011214892_100000210316 [0,0,0,0,0,0|3,0,1]=4 13 B13R0.54 CCCCCCSCCCCC(C)C 62a_100000210314_100011216152 [0,0,0,0,0,0|3,0,1]=4 14 B13R0.54 CCCCCCSCCCCC(C)C 62a_100011216152_100000210757 [0,0,0,0,0,0|3,0,1]=4 15 B13R0.54 CCCCCSCCCCCC(C)C 62a_100000210326_100000210682 [0,0,0,0,0,0|3,0,1]=4 16 B13R0.54 CCCCCSCCCCCC(C)C 62a_100000210682_100000210326 [0,0,0,0,0,0|3,0,1]=4 17 B14R0.2 C=C(Br)CCOC(C)CCCCCCC 34a_100009813270_200011218727 [0,1,0,0,0,0|2,1,0]=4 18 B14R0.2 C=C(C)CCSC(C)CCCCCCC 62a_100000730704_200011218727 [0,1,0,0,0,0|3,0,0]=4 19 B14R0.2 C=C(C)CCSC(C)CCCCCCC 62a_200011218727_100000730704 [0,1,0,0,0,0|3,0,0]=4 20 B14R0.391 CCCCCCCCCC(=O)C=C(Cl)Cl 1458a_100000137448_100000210670 [0,1,0,0,0,0|1,0,2]=4 21 B14R0.394 C=C(Br)CCOCCCCCCCCC 34a_100009813270_100011214924 [0,1,0,0,0,0|1,1,0]=3 22 B14R0.394 C=C(C)CCSCCCCCCCCC 62a_100000730704_100000210670 [0,1,0,0,0,0|2,0,0]=3 23 B14R0.394 C=C(C)CSCCCCCCCCCC 62a_100000748629_100000210320 [0,1,0,0,0,0|2,0,0]=3 24 B14R0.394 C=C(F)CSCCCCCCCCCC 62a_100000042424_100000210320 [0,1,0,0,0,0|1,1,0]=3 25 B14R0.394 CCCCCCCCCCCSC(C)C 62a_100000210206_100011215454 [0,1,0,0,0,0|2,0,1]=4 26 B14R0.394 CCCCCCCCCCSCC(C)C 62a_100000210624_100000210320 [0,1,0,0,0,0|2,0,1]=4 27 B14R0.394 CCCCCCCCCCSCC(F)F 62a_100011934356_100000210320 [0,1,0,0,0,0|1,1,1]=4 28 B14R0.394 CCCCCCCCCSCC=C(C)C 62a_100000761012_100000210670 [0,1,0,0,0,0|2,0,1]=4 29 B14R0.394 CCCCCCCCCSCCC(C)C 62a_100000210312_100000210670 [0,1,0,0,0,0|2,0,1]=4 30 B14R0.394 CCCCCCCCSCCC=C(C)C 62a_100000210759_100011217483 [0,1,0,0,0,0|2,0,1]=4 31 B14R0.394 CCCCCCCCSCCC=C(C)C 62a_100011217483_100000210317 [0,1,0,0,0,0|2,0,1]=4 32 B14R0.394 CCCCCCCCSCCC=C(F)F 62a_100000210759_200009816681 [0,1,0,0,0,0|1,1,1]=4 33 B14R0.394 CCCCCCCCSCCC=C(F)F 62a_200009816681_100000210317 [0,1,0,0,0,0|1,1,1]=4 34 B14R0.394 CCCCCCCCSCCCC(C)C 62a_100000210759_100011214892 [0,1,0,0,0,0|2,0,1]=4 35 B14R0.394 CCCCCCCCSCCCC(C)C 62a_100011214892_100000210317 [0,1,0,0,0,0|2,0,1]=4 36 B14R0.394 CCCCCCCSCCCCC(C)C 62a_100000210614_100011216152 [0,1,0,0,0,0|2,0,1]=4 37 B14R0.394 CCCCCCCSCCCCC(C)C 62a_100011216152_100000210316 [0,1,0,0,0,0|2,0,1]=4 38 B14R0.394 CCCCCCSCCCCCC(C)C 62a_100000210314_100000210682 [0,1,0,0,0,0|2,0,1]=4 39 B14R0.394 CCCCCCSCCCCCC(C)C 62a_100000210682_100000210757 [0,1,0,0,0,0|2,0,1]=4 40 B13R0.2 C=CCCCCCCSC(C)CCC 62a_100000766640_100011215473 [1,1,0,0,0,0|2,0,0]=4 41 B13R0.2 C=CCCCCCCSC(C)CCC 62a_100011215473_100000766640 [1,1,0,0,0,0|2,0,0]=4 42 B13R0.66 C=CCCCCCSC(C)CCCC 62a_100000700193_200011215066 [1,1,0,0,0,0|2,0,0]=4 43 B13R0.66 C=CCCCCCSC(C)CCCC 62a_200011215066_100000700193 [1,1,0,0,0,0|2,0,0]=4 44 B13R0.147 C=CC(C)SCCCCCCCCC 62a_100011215867_100000210670 [1,1,0,0,0,0|2,0,0]=4 45 B13R0.147 C=CCCCCCCCSC(C)CC 62a_100000758301_100012355270 [1,1,0,0,0,0|2,0,0]=4 46 B13R0.147 C=CCCCCCCCSC(C)CC 62a_100012355270_100000758301 [1,1,0,0,0,0|2,0,0]=4 47 B13R0.165 C=CCCCSC(C)CCCCCC 62a_100011215978_100000757094 [1,1,0,0,0,0|2,0,0]=4 48 B13R0.165 C=CCCCSC(C)CCCCCC 62a_100011713584_100011215978 [1,1,0,0,0,0|2,0,0]=4 49 B13R0.336 C/C=C/CSCCCCCCCCC 62a_100102629194_100000210670 [1,1,0,0,0,0|1,0,1]=4 50 B13R0.336 C=CCCCCCCCCCCSC 62a_100011093070_200000210301 [1,1,0,0,0,0|1,0,0]=3 51 B13R0.336 C=CCCCCCCCCCCSC 62a_200000210301_100011093070 [1,1,0,0,0,0|1,0,0]=3 52 B13R0.336 C=CCCCCCCCCCCS[13CH3] 62a_100011093070_200025704644 [1,1,0,0,0,0|1,0,0]=3 53 B13R0.336 C=CCCCCCCCCCCS[13CH3] 62a_200025704644_100011093070 [1,1,0,0,0,0|1,0,0]=3 54 B13R0.336 C=CCCCCCCCCCSCC 62a_100000210202_100009814027 [1,1,0,0,0,0|1,0,0]=3 55 B13R0.336 C=CCCCCCCCCCSCC 62a_100009814027_100000210202 [1,1,0,0,0,0|1,0,0]=3 56 B13R0.336 C=CCCCCCCCCSCCC 62a_100000210303_100011933949 [1,1,0,0,0,0|1,0,0]=3 57 B13R0.336 C=CCCCCCCCCSCCC 62a_100011933949_100000210303 [1,1,0,0,0,0|1,0,0]=3 58 B13R0.336 C=CCCCCCCCSCCCC 62a_100000210211_100012355270 [1,1,0,0,0,0|1,0,0]=3 59 B13R0.336 C=CCCCCCCCSCCCC 62a_100012355270_100000210210 [1,1,0,0,0,0|1,0,0]=3 60 B13R0.336 C=CCCCCCCSCCCCC 62a_100000210326_100011215473 [1,1,0,0,0,0|1,0,0]=3 61 B13R0.336 C=CCCCCCCSCCCCC 62a_100011215473_100000210326 [1,1,0,0,0,0|1,0,0]=3 62 B13R0.336 C=CCCCCCSCCCCCC 62a_100000210314_100000700193 [1,1,0,0,0,0|1,0,0]=3 63 B13R0.336 C=CCCCCCSCCCCCC 62a_100000700193_100000210757 [1,1,0,0,0,0|1,0,0]=3 64 B13R0.336 C=CCCCCSCCCCCCC 62a_100000210614_100011215482 [1,1,0,0,0,0|1,0,0]=3 65 B13R0.336 C=CCCCCSCCCCCCC 62a_100011215482_100000210316 [1,1,0,0,0,0|1,0,0]=3 66 B13R0.336 C=CCCCSCCCCCCCC 62a_100000210759_100000757094 [1,1,0,0,0,0|1,0,0]=3 67 B13R0.336 C=CCCCSCCCCCCCC 62a_100011713584_100000210317 [1,1,0,0,0,0|1,0,0]=3 68 B13R0.336 C=CCCSCCCCCCCCC 62a_100000754431_100000210670 [1,1,0,0,0,0|1,0,0]=3 69 B13R0.336 C=CCSCCCCCCCCCC 62a_100000210623_100000210320 [1,1,0,0,0,0|1,0,0]=3 70 B13R0.336 CC=CCSCCCCCCCCC 62a_100000070051_100000210670 [1,1,0,0,0,0|1,0,1]=4 71 B13R0.336 CCCCCCCCCCCCSC 62a_200000210301_100000759014 [1,1,0,0,0,0|0,1,1]=4 72 B13R0.336 CCCCCCCCCCCCS[13CH3] 62a_200025704644_100000759014 [1,1,0,0,0,0|0,1,1]=4 73 B13R0.336 CCCCCCCCCCCSCC 62a_100000210202_100011215454 [1,1,0,0,0,0|1,0,1]=4 74 B13R0.336 CCCCCCCCCCCSCF 62a_100015361967_100011215454 [1,1,0,0,0,0|0,1,1]=4 75 B13R0.336 CCCCCCCCCCSCCC 62a_100000210303_100000210320 [1,1,0,0,0,0|1,0,1]=4 76 B13R0.336 CCCCCCCCCCSCSC 62a_100011218213_100000210320 [1,1,0,0,0,0|2,0,0]=4 77 B13R0.336 CCCCCCCCCSCCCC 62a_100000210211_100000210670 [1,1,0,0,0,0|1,0,1]=4 78 B13R0.336 CCCCCCCCSCCCCC 62a_100000210326_100000210317 [1,1,0,0,0,0|1,0,1]=4 79 B13R0.336 CCCCCCCCSCCCCC 62a_100000210759_100000210326 [1,1,0,0,0,0|1,0,1]=4 80 B13R0.336 CCCCCCCSCCCCCC 62a_100000210314_100000210316 [1,1,0,0,0,0|1,0,1]=4 81 B13R0.336 CCCCCCCSCCCCCC 62a_100000210614_100000210757 [1,1,0,0,0,0|1,0,1]=4 82 B13R0.338 C=CCCCCSC(C)CCCCC 62a_100011215482_200011218191 [1,1,0,0,0,0|2,0,0]=4 83 B13R0.338 C=CCCCCSC(C)CCCCC 62a_200011218191_100011215482 [1,1,0,0,0,0|2,0,0]=4 84 B13R0.338 C=CCCSC(C)CCCCCCC 62a_100000754431_200011218727 [1,1,0,0,0,0|2,0,0]=4 85 B13R0.338 C=CCCSC(C)CCCCCCC 62a_200011218727_100000754431 [1,1,0,0,0,0|2,0,0]=4 86 B15R0.367 C=C(C)CCOC(C)CCCCCCCC 34a_100000210740_100000730704 [0,2,0,0,0,0|2,0,0]=4 87 B15R0.367 C=C(C)CCOC(C)CCCCCCCC 7a_100000210740_100000730704 [0,2,0,0,0,0|2,0,0]=4 88 B15R0.81 C=CC(=O)CCCCCCCCCCCC 1458a_100000185746_100000759014 [0,2,0,0,0,0|1,0,0]=3 89 B15R0.81 C=CCCCCCCCCCCC(=O)CC 1458a_100000210414_100011093070 [0,2,0,0,0,0|1,0,1]=4 90 B15R0.81 CCCCCCCCCCCCC(=O)CC 1458a_100000210414_100000759014 [0,2,0,0,0,0|1,0,0]=3 91 B15R0.81 CCCCCCCCCCCCC(=O)CC 1458a_100011215791_100000210202 [0,2,0,0,0,0|1,0,0]=3 92 B15R0.84 C=C(C)C(=O)CCCCCCCCCCC 1458a_100000185857_100011215454 [0,2,0,0,0,0|1,0,0]=3 93 B15R0.84 CCCCCCCCCCCC(=O)C(C)C 1458a_100000210198_100011215454 [0,2,0,0,0,0|1,0,0]=3 94 B15R0.84 CCCCCCCCCCCC(=O)C(C)C 1458a_100000210736_100000210206 [0,2,0,0,0,0|1,0,0]=3 95 B15R0.366 C=CCC(=O)CCCCCCCCCCC 1458a_100000210193_100011215454 [0,2,0,0,0,0|1,0,0]=3 96 B15R0.366 C=CCC(=O)CCCCCCCCCCC 1458a_100000210736_100000210623 [0,2,0,0,0,0|1,0,0]=3 97 B15R0.366 C=CCCCCCCCCCC(=O)C=CCl 1458a_200016279998_100009814027 [0,2,0,0,0,0|0,0,2]=4 98 B15R0.366 CC=CC(=O)CCCCCCCCCCC 1458a_100000210699_100011215454 [0,2,0,0,0,0|1,0,0]=3 99 B15R0.366 CCCCCCCCCCCC(=O)C=CBr 1458a_100016273825_100011215454 [0,2,0,0,0,0|0,1,0]=3 100 B15R0.366 CCCCCCCCCCCC(=O)C=CCl 1458a_200016279998_100011215454 [0,2,0,0,0,0|0,0,0]=2 101 B15R0.366 CCCCCCCCCCCC(=O)C=CI 1458a_100016256311_100011215454 [0,2,0,0,0,0|0,1,0]=3 102 B15R0.366 CCCCCCCCCCCC(=O)CCC 1458a_100000210736_100000210303 [0,2,0,0,0,0|1,0,0]=3 103 B15R0.366 CCCCCCCCCCCC(=O)CCC 1458a_100000211992_100011215454 [0,2,0,0,0,0|1,0,0]=3 104 B15R0.88 C=C(C)CCC(=O)CCCCCCCCC 1458a_100000210558_100000730704 [0,2,0,0,0,0|2,0,0]=4 105 B15R0.88 C=C(C)CCC(=O)CCCCCCCCC 1458a_200000688413_100000210670 [0,2,0,0,0,0|2,0,0]=4 106 B15R0.88 C=C(C)COC(C)CCCCCCCCC 34a_100011218016_100000748629 [0,2,0,0,0,0|2,0,0]=4 107 B15R0.88 C=C(C)COC(C)CCCCCCCCC 7a_100011218016_100000748629 [0,2,0,0,0,0|2,0,0]=4 108 B15R0.88 C=C(F)COC(C)CCCCCCCCC 34a_100011218016_100009893438 [0,2,0,0,0,0|1,1,0]=4 109 B15R0.88 C=C(F)COC(C)CCCCCCCCC 7a_100011218016_100000042424 [0,2,0,0,0,0|1,1,0]=4 110 B15R0.69 C=C(C)CC(=O)CCCCCCCCCC 1458a_100000210375_100000748629 [0,2,0,0,0,0|2,0,0]=4 111 B15R0.69 CCCCCCCCCCC(=O)C=C(C)Cl 1458a_200042562850_100000210319 [0,2,0,0,0,0|1,0,1]=4 112 B15R0.69 CCCCCCCCCCC(=O)C=C(Cl)Cl 1458a_100000137448_100000210319 [0,2,0,0,0,0|1,0,1]=4 113 B15R0.164 C=C(Br)CCOCCCCCCCCCC 34a_100009813270_100000210320 [0,2,0,0,0,0|1,1,0]=4 114 B15R0.164 C=C(C)CCOCCCCCCCCCBr 34a_100009813782_100000730704 [0,2,0,0,0,0|2,0,0]=4 115 B15R0.164 C=C(C)CCOCCCCCCCCCBr 7a_100009813782_100000730704 [0,2,0,0,0,0|2,0,0]=4 116 B15R0.164 C=C(C)CCOCCCCCCCCCC 34a_100000210711_100000730704 [0,2,0,0,0,0|2,0,0]=4 117 B15R0.164 C=C(C)CCOCCCCCCCCCC 34a_100000764851_100000210320 [0,2,0,0,0,0|2,0,0]=4 118 B15R0.164 C=C(C)CCOCCCCCCCCCC 7a_100000210711_100000730704 [0,2,0,0,0,0|2,0,0]=4 119 B15R0.164 C=C(C)CCSCCCCCCCCCC 62a_100000730704_100000210320 [0,2,0,0,0,0|2,0,0]=4 120 B15R0.164 C=C(C)COCCCCCCCCCCBr 34a_100009813290_100000748629 [0,2,0,0,0,0|2,0,0]=4 121 B15R0.164 C=C(C)COCCCCCCCCCCBr 7a_100009813290_100000748629 [0,2,0,0,0,0|2,0,0]=4 122 B15R0.164 C=C(C)COCCCCCCCCCCC 34a_100000210245_100011215454 [0,2,0,0,0,0|2,0,0]=4 123 B15R0.164 C=C(C)COCCCCCCCCCCC 34a_100000210809_100000748629 [0,2,0,0,0,0|2,0,0]=4 124 B15R0.164 C=C(C)COCCCCCCCCCCC 7a_100000210809_100000748629 [0,2,0,0,0,0|2,0,0]=4 125 B15R0.164 C=C(C)CSCCCCCCCCCCC 62a_100000748629_100011215454 [0,2,0,0,0,0|2,0,0]=4 126 B15R0.164 C=C(F)COCCCCCCCCCCBr 34a_100009813290_100009893438 [0,2,0,0,0,0|1,1,0]=4 127 B15R0.164 C=C(F)COCCCCCCCCCCBr 7a_100009813290_100000042424 [0,2,0,0,0,0|1,1,0]=4 128 B15R0.164 C=C(F)COCCCCCCCCCCC 34a_100000210809_100009893438 [0,2,0,0,0,0|1,1,0]=4 129 B15R0.164 C=C(F)COCCCCCCCCCCC 34a_200010262243_100011215454 [0,2,0,0,0,0|1,1,0]=4 130 B15R0.164 C=C(F)COCCCCCCCCCCC 7a_100000210809_100000042424 [0,2,0,0,0,0|1,1,0]=4 131 B15R0.164 C=C(F)CSCCCCCCCCCCC 62a_100000042424_100011215454 [0,2,0,0,0,0|1,1,0]=4 132 B15R0.164 C=CCCCCCCCCCCCC(=O)C 1458a_100000070787_102130925996 [0,2,0,0,0,0|1,0,0]=3 133 B15R0.164 CCCCCCCCCCCCCC(=O)C 1458a_100000070787_100000210684 [0,2,0,0,0,0|1,0,0]=3 134 B15R0.164 CCCCCCCCCCCCCC(=O)C 1458a_100000756256_200000210301 [0,2,0,0,0,0|1,0,0]=3 135 B15R0.164 CCCCCCCCCCCCCC(=O)[13CH3] 1458a_100000756256_200025704644 [0,2,0,0,0,0|1,0,0]=3 136 B15R0.164 CCCCCCCCCCCOC[C@@H](C)Cl 34a_100016084084_100011215454 [0,2,0,0,0,0|1,0,1]=4 137 B15R0.164 CCCCCCCCCCOCC=C(C)C 34a_100000210711_100000761012 [0,2,0,0,0,0|2,0,0]=4 138 B15R0.164 CCCCCCCCCCOCC=C(C)C 34a_100000753907_100000210320 [0,2,0,0,0,0|2,0,0]=4 139 B15R0.164 CCCCCCCCCCOCC=C(C)C 7a_100000210711_100000761012 [0,2,0,0,0,0|2,0,0]=4 140 B15R0.164 CCCCCCCCCCSCC=C(C)C 62a_100000761012_100000210320 [0,2,0,0,0,0|2,0,0]=4 141 B15R0.164 CCCCCCCCCOCCC=C(C)C 34a_100000210712_100011217483 [0,2,0,0,0,0|2,0,0]=4 142 B15R0.164 CCCCCCCCCOCCC=C(C)C 7a_100000210712_100011217483 [0,2,0,0,0,0|2,0,0]=4 143 B15R0.164 CCCCCCCCCSCCC=C(C)C 62a_100011217483_100000210670 [0,2,0,0,0,0|2,0,0]=4 144 B15R0.164 CCCCCCCCCSCCC=C(F)F 62a_200009816681_100000210670 [0,2,0,0,0,0|1,1,0]=4 145 B15R1.504 C=C(C)CCSCCCC1CCCCC1 62a_100000730704_100011713725 [0,1,0,1,0,0|2,0,0]=4 146 B15R1.504 C=C(C)CCSCCCC1CCCCC1 62a_100011713725_100000730704 [0,1,0,1,0,0|2,0,0]=4