0 B15R0.164 C=C(Br)CCOCCCCCCCCCC 34a_100009813270_100000210320 [0,0,0,0,0,0|3,0,0]=3 1 B15R0.164 C=C(C)CCOCCCCCCCCCBr 34a_100009813782_100000730704 [0,0,0,0,0,0|4,0,0]=4 2 B15R0.164 C=C(C)CCOCCCCCCCCCBr 7a_100009813782_100000730704 [0,0,0,0,0,0|4,0,0]=4 3 B15R0.164 C=C(C)CCOCCCCCCCCCC 34a_100000210711_100000730704 [0,0,0,0,0,0|3,0,0]=3 4 B15R0.164 C=C(C)CCOCCCCCCCCCC 34a_100000764851_100000210320 [0,0,0,0,0,0|3,0,0]=3 5 B15R0.164 C=C(C)CCOCCCCCCCCCC 7a_100000210711_100000730704 [0,0,0,0,0,0|3,0,0]=3 6 B15R0.164 C=C(C)CCSCCCCCCCCCC 62a_100000730704_100000210320 [0,0,0,0,0,0|3,0,0]=3 7 B15R0.164 C=C(C)COCCCCCCCCCCBr 34a_100009813290_100000748629 [0,0,0,0,0,0|4,0,0]=4 8 B15R0.164 C=C(C)COCCCCCCCCCCBr 7a_100009813290_100000748629 [0,0,0,0,0,0|4,0,0]=4 9 B15R0.164 C=C(C)COCCCCCCCCCCC 34a_100000210245_100011215454 [0,0,0,0,0,0|3,0,0]=3 10 B15R0.164 C=C(C)COCCCCCCCCCCC 34a_100000210809_100000748629 [0,0,0,0,0,0|3,0,0]=3 11 B15R0.164 C=C(C)COCCCCCCCCCCC 7a_100000210809_100000748629 [0,0,0,0,0,0|3,0,0]=3 12 B15R0.164 C=C(C)CSCCCCCCCCCCC 62a_100000748629_100011215454 [0,0,0,0,0,0|3,0,0]=3 13 B15R0.164 C=C(F)COCCCCCCCCCCBr 34a_100009813290_100009893438 [0,0,0,0,0,0|4,0,0]=4 14 B15R0.164 C=C(F)COCCCCCCCCCCBr 7a_100009813290_100000042424 [0,0,0,0,0,0|4,0,0]=4 15 B15R0.164 C=C(F)COCCCCCCCCCCC 34a_100000210809_100009893438 [0,0,0,0,0,0|3,0,0]=3 16 B15R0.164 C=C(F)COCCCCCCCCCCC 34a_200010262243_100011215454 [0,0,0,0,0,0|3,0,0]=3 17 B15R0.164 C=C(F)COCCCCCCCCCCC 7a_100000210809_100000042424 [0,0,0,0,0,0|3,0,0]=3 18 B15R0.164 C=C(F)CSCCCCCCCCCCC 62a_100000042424_100011215454 [0,0,0,0,0,0|3,0,0]=3 19 B15R0.164 C=CCCCCCCCCCCCC(=O)C 1458a_100000070787_102130925996 [0,0,0,0,0,0|1,0,2]=3 20 B15R0.164 CCCCCCCCCCCCCC(=O)C 1458a_100000070787_100000210684 [0,0,0,0,0,0|1,0,0]=1 21 B15R0.164 CCCCCCCCCCCCCC(=O)C 1458a_100000756256_200000210301 [0,0,0,0,0,0|1,0,0]=1 22 B15R0.164 CCCCCCCCCCCCCC(=O)[13CH3] 1458a_100000756256_200025704644 [0,0,0,0,0,0|1,0,0]=1 23 B15R0.164 CCCCCCCCCCCCOC(C)C 34a_100000210810_100000210206 [0,0,0,0,0,0|3,0,1]=4 24 B15R0.164 CCCCCCCCCCCCOC(C)C 34a_100000212225_100000759014 [0,0,0,0,0,0|3,0,1]=4 25 B15R0.164 CCCCCCCCCCCCOC(C)C 7a_100000210810_100000210206 [0,0,0,0,0,0|3,0,1]=4 26 B15R0.164 CCCCCCCCCCCOCC(C)Br 34a_100012180447_100011215454 [0,0,0,0,0,0|3,0,1]=4 27 B15R0.164 CCCCCCCCCCCOCC(C)C 34a_100000210257_100011215454 [0,0,0,0,0,0|3,0,1]=4 28 B15R0.164 CCCCCCCCCCCOCC(C)C 34a_100000210809_100000210624 [0,0,0,0,0,0|3,0,1]=4 29 B15R0.164 CCCCCCCCCCCOCC(C)C 7a_100000210809_100000210760 [0,0,0,0,0,0|3,0,1]=4 30 B15R0.164 CCCCCCCCCCCOC[C@@H](C)Cl 34a_100016084084_100011215454 [0,0,0,0,0,0|3,0,1]=4 31 B15R0.164 CCCCCCCCCCCSCC(C)C 62a_100000210624_100011215454 [0,0,0,0,0,0|3,0,1]=4 32 B15R0.164 CCCCCCCCCCCSCC(F)F 62a_100011934356_100011215454 [0,0,0,0,0,0|3,0,1]=4 33 B15R0.164 CCCCCCCCCCOCC=C(C)C 34a_100000210711_100000761012 [0,0,0,0,0,0|3,0,1]=4 34 B15R0.164 CCCCCCCCCCOCC=C(C)C 34a_100000753907_100000210320 [0,0,0,0,0,0|3,0,1]=4 35 B15R0.164 CCCCCCCCCCOCC=C(C)C 7a_100000210711_100000761012 [0,0,0,0,0,0|3,0,1]=4 36 B15R0.164 CCCCCCCCCCOCCC(C)Br 34a_100009893172_100000210320 [0,0,0,0,0,0|3,0,1]=4 37 B15R0.164 CCCCCCCCCCOCCC(C)C 34a_100000210254_100000210320 [0,0,0,0,0,0|3,0,1]=4 38 B15R0.164 CCCCCCCCCCOCCC(C)C 34a_100000210711_100000210312 [0,0,0,0,0,0|3,0,1]=4 39 B15R0.164 CCCCCCCCCCOCCC(C)C 7a_100000210254_100000210320 [0,0,0,0,0,0|3,0,1]=4 40 B15R0.164 CCCCCCCCCCOCCC(C)C 7a_100000210711_100000210626 [0,0,0,0,0,0|3,0,1]=4 41 B15R0.164 CCCCCCCCCCSCC=C(C)C 62a_100000761012_100000210320 [0,0,0,0,0,0|3,0,1]=4 42 B15R0.164 CCCCCCCCCCSCCC(C)C 62a_100000210312_100000210320 [0,0,0,0,0,0|3,0,1]=4 43 B15R0.164 CCCCCCCCCOCCC=C(C)C 34a_100000210712_100011217483 [0,0,0,0,0,0|3,0,1]=4 44 B15R0.164 CCCCCCCCCOCCC=C(C)C 7a_100000210712_100011217483 [0,0,0,0,0,0|3,0,1]=4 45 B15R0.164 CCCCCCCCCOCCCC(C)C 34a_100000210712_100011214892 [0,0,0,0,0,0|3,0,1]=4 46 B15R0.164 CCCCCCCCCOCCCC(C)C 34a_100000210774_100011214924 [0,0,0,0,0,0|3,0,1]=4 47 B15R0.164 CCCCCCCCCOCCCC(C)C 7a_100000210712_100011214892 [0,0,0,0,0,0|3,0,1]=4 48 B15R0.164 CCCCCCCCCOCCCC(C)C 7a_100000210774_100000210328 [0,0,0,0,0,0|3,0,1]=4 49 B15R0.164 CCCCCCCCCSCCC=C(C)C 62a_100011217483_100000210670 [0,0,0,0,0,0|3,0,1]=4 50 B15R0.164 CCCCCCCCCSCCC=C(F)F 62a_200009816681_100000210670 [0,0,0,0,0,0|3,0,1]=4 51 B15R0.164 CCCCCCCCCSCCCC(C)C 62a_100011214892_100000210670 [0,0,0,0,0,0|3,0,1]=4 52 B15R0.164 CCCCCCCCOCCCCC(C)C 34a_100000210232_100011216152 [0,0,0,0,0,0|3,0,1]=4 53 B15R0.164 CCCCCCCCOCCCCC(C)C 34a_100011214890_100000210759 [0,0,0,0,0,0|3,0,1]=4 54 B15R0.164 CCCCCCCCOCCCCC(C)C 7a_100000210232_100011216152 [0,0,0,0,0,0|3,0,1]=4 55 B15R0.164 CCCCCCCCOCCCCC(C)C 7a_100011214890_100000210759 [0,0,0,0,0,0|3,0,1]=4 56 B15R0.164 CCCCCCCCSCCCCC(C)C 62a_100000210759_100011216152 [0,0,0,0,0,0|3,0,1]=4 57 B15R0.164 CCCCCCCCSCCCCC(C)C 62a_100011216152_100000210317 [0,0,0,0,0,0|3,0,1]=4 58 B15R0.164 CCCCCCCOCCCCCC(C)C 34a_100000210272_100000210682 [0,0,0,0,0,0|3,0,1]=4 59 B15R0.164 CCCCCCCOCCCCCC(C)C 34a_100011995859_100000210614 [0,0,0,0,0,0|3,0,1]=4 60 B15R0.164 CCCCCCCOCCCCCC(C)C 7a_100000210272_100000210682 [0,0,0,0,0,0|3,0,1]=4 61 B15R0.164 CCCCCCCOCCCCCC(C)C 7a_100011995859_100000210614 [0,0,0,0,0,0|3,0,1]=4 62 B15R0.164 CCCCCCCSCCCCCC(C)C 62a_100000210614_100000210682 [0,0,0,0,0,0|3,0,1]=4 63 B15R0.164 CCCCCCCSCCCCCC(C)C 62a_100000210682_100000210316 [0,0,0,0,0,0|3,0,1]=4 64 B15R0.164 CCCCCOCCCCCCCC(C)C 34a_200000210741_100000718602 [0,0,0,0,0,0|3,0,1]=4 65 B15R0.164 CCCCCOCCCCCCCC(C)C 7a_200000210741_100000210326 [0,0,0,0,0,0|3,0,1]=4 66 B14R0.392 C/C=C/CSCCCCCCCCCC 62a_100102629194_100000210320 [1,0,0,0,0,0|2,0,1]=4 67 B14R0.392 C=CCCCCCCCCCCCSC 62a_102130925996_200000210301 [1,0,0,0,0,0|2,0,0]=3 68 B14R0.392 C=CCCCCCCCCCCCSC 62a_200000210301_102130925996 [1,0,0,0,0,0|2,0,0]=3 69 B14R0.392 C=CCCCCCCCCCCCS[13CH3] 62a_102130925996_200025704644 [1,0,0,0,0,0|2,0,0]=3 70 B14R0.392 C=CCCCCCCCCCCCS[13CH3] 62a_200025704644_102130925996 [1,0,0,0,0,0|2,0,0]=3 71 B14R0.392 C=CCCCCCCCCCCSCC 62a_100000210202_100011093070 [1,0,0,0,0,0|2,0,0]=3 72 B14R0.392 C=CCCCCCCCCCCSCC 62a_100011093070_100000210202 [1,0,0,0,0,0|2,0,0]=3 73 B14R0.392 C=CCCCCCCCCCCSCF 62a_100011093070_100015361967 [1,0,0,0,0,0|3,0,0]=4 74 B14R0.392 C=CCCCCCCCCCCSCF 62a_100015361967_100011093070 [1,0,0,0,0,0|3,0,0]=4 75 B14R0.392 C=CCCCCCCCCCSCCC 62a_100000210303_100009814027 [1,0,0,0,0,0|2,0,0]=3 76 B14R0.392 C=CCCCCCCCCCSCCC 62a_100009814027_100000210303 [1,0,0,0,0,0|2,0,0]=3 77 B14R0.392 C=CCCCCCCCCCSCCF 62a_100009814027_100011217306 [1,0,0,0,0,0|3,0,0]=4 78 B14R0.392 C=CCCCCCCCCCSCCF 62a_100011217306_100009814027 [1,0,0,0,0,0|3,0,0]=4 79 B14R0.392 C=CCCCCCCCCCSCSC 62a_100009814027_100011218213 [1,0,0,0,0,0|3,0,0]=4 80 B14R0.392 C=CCCCCCCCCCSCSC 62a_100011218213_100009814027 [1,0,0,0,0,0|3,0,0]=4 81 B14R0.392 C=CCCCCCCCCSCCCC 62a_100000210211_100011933949 [1,0,0,0,0,0|2,0,0]=3 82 B14R0.392 C=CCCCCCCCCSCCCC 62a_100011933949_100000210210 [1,0,0,0,0,0|2,0,0]=3 83 B14R0.392 C=CCCCCCCCCSCCCF 62a_100011933949_100011934791 [1,0,0,0,0,0|3,0,0]=4 84 B14R0.392 C=CCCCCCCCCSCCCF 62a_100011934791_100011933949 [1,0,0,0,0,0|3,0,0]=4 85 B14R0.392 C=CCCCCCCCCSCCSC 62a_100000212216_100011933949 [1,0,0,0,0,0|3,0,0]=4 86 B14R0.392 C=CCCCCCCCCSCCSC 62a_100011933949_100000751147 [1,0,0,0,0,0|3,0,0]=4 87 B14R0.392 C=CCCCCCCCSCCCCC 62a_100000210326_100012355270 [1,0,0,0,0,0|2,0,0]=3 88 B14R0.392 C=CCCCCCCCSCCCCC 62a_100012355270_100000210326 [1,0,0,0,0,0|2,0,0]=3 89 B14R0.392 C=CCCCCCCCSCCCCF 62a_100000729493_100012355270 [1,0,0,0,0,0|3,0,0]=4 90 B14R0.392 C=CCCCCCCCSCCCCF 62a_100012355270_100000729493 [1,0,0,0,0,0|3,0,0]=4 91 B14R0.392 C=CCCCCCCCSCCSCC 62a_100000757381_100012355270 [1,0,0,0,0,0|3,0,0]=4 92 B14R0.392 C=CCCCCCCCSCCSCC 62a_100012355270_100000757381 [1,0,0,0,0,0|3,0,0]=4 93 B14R0.392 C=CCCCCCCSCCCCCC 62a_100000210314_100011215473 [1,0,0,0,0,0|2,0,0]=3 94 B14R0.392 C=CCCCCCCSCCCCCC 62a_100011215473_100000210757 [1,0,0,0,0,0|2,0,0]=3 95 B14R0.392 C=CCCCCCCSCCCCCF 62a_100000729378_100011215473 [1,0,0,0,0,0|3,0,0]=4 96 B14R0.392 C=CCCCCCCSCCCCCF 62a_100011215473_100000729378 [1,0,0,0,0,0|3,0,0]=4 97 B14R0.392 C=CCCCCCSCCCCCCC 62a_100000210614_100000700193 [1,0,0,0,0,0|2,0,0]=3 98 B14R0.392 C=CCCCCCSCCCCCCC 62a_100000700193_100000210316 [1,0,0,0,0,0|2,0,0]=3 99 B14R0.392 C=CCCCCCSCCCCCCF 62a_100000700193_100015922095 [1,0,0,0,0,0|3,0,0]=4 100 B14R0.392 C=CCCCCCSCCCCCCF 62a_100015922095_100000700193 [1,0,0,0,0,0|3,0,0]=4 101 B14R0.392 C=CCCCCSCCCCCCCC 62a_100000210759_100011215482 [1,0,0,0,0,0|2,0,0]=3 102 B14R0.392 C=CCCCCSCCCCCCCC 62a_100011215482_100000210317 [1,0,0,0,0,0|2,0,0]=3 103 B14R0.392 C=CCCCSCCCCCCCCC 62a_100011713584_100000210670 [1,0,0,0,0,0|2,0,0]=3 104 B14R0.392 C=CCCSCCCCCCCCCC 62a_100000754431_100000210320 [1,0,0,0,0,0|2,0,0]=3 105 B14R0.392 C=CCSCCCCCCCCCCC 62a_100000210623_100011215454 [1,0,0,0,0,0|2,0,0]=3 106 B14R0.392 CC=CCSCCCCCCCCCC 62a_100000070051_100000210320 [1,0,0,0,0,0|2,0,1]=4 107 B14R0.392 CCCCCCCCCCCCCSC 62a_200000210301_100011934334 [1,0,0,0,0,0|2,0,0]=3 108 B14R0.392 CCCCCCCCCCCCCS[13CH3] 62a_200025704644_100011934334 [1,0,0,0,0,0|2,0,0]=3 109 B14R0.392 CCCCCCCCCCCCSCC 62a_100000210202_100000759014 [1,0,0,0,0,0|2,0,1]=4 110 B14R0.392 CCCCCCCCCCCCSCF 62a_100015361967_100000759014 [1,0,0,0,0,0|2,0,1]=4 111 B14R0.392 CCCCCCCCCCCSCCC 62a_100000210303_100011215454 [1,0,0,0,0,0|2,0,1]=4 112 B14R0.392 CCCCCCCCCCCSCCF 62a_100011217306_100011215454 [1,0,0,0,0,0|2,0,1]=4 113 B14R0.392 CCCCCCCCCCCSCSC 62a_100011218213_100011215454 [1,0,0,0,0,0|3,0,0]=4 114 B14R0.392 CCCCCCCCCCSCCCC 62a_100000210211_100000210320 [1,0,0,0,0,0|2,0,1]=4 115 B14R0.392 CCCCCCCCCCSCCCF 62a_100011934791_100000210320 [1,0,0,0,0,0|2,0,1]=4 116 B14R0.392 CCCCCCCCCCSCCSC 62a_100000212216_100000210320 [1,0,0,0,0,0|3,0,0]=4 117 B14R0.392 CCCCCCCCCSCCCCC 62a_100000210326_100000210670 [1,0,0,0,0,0|2,0,1]=4 118 B14R0.392 CCCCCCCCCSCCCCF 62a_100000729493_100000210670 [1,0,0,0,0,0|2,0,1]=4 119 B14R0.392 CCCCCCCCSCCCCCC 62a_100000210314_100000210317 [1,0,0,0,0,0|2,0,1]=4 120 B14R0.392 CCCCCCCCSCCCCCC 62a_100000210759_100000210757 [1,0,0,0,0,0|2,0,1]=4 121 B14R0.392 CCCCCCCCSCCCCCF 62a_100000210759_100000729378 [1,0,0,0,0,0|2,0,1]=4 122 B14R0.392 CCCCCCCCSCCCCCF 62a_100000729378_100000210317 [1,0,0,0,0,0|2,0,1]=4 123 B14R0.392 CCCCCCCSCCCCCCC 62a_100000210614_100000210316 [1,0,0,0,0,0|2,0,1]=4 124 B14R0.392 CCCCCCCSCCCCCCF 62a_100000210614_100015922095 [1,0,0,0,0,0|2,0,1]=4 125 B14R0.392 CCCCCCCSCCCCCCF 62a_100015922095_100000210316 [1,0,0,0,0,0|2,0,1]=4 126 B14R0.394 C=C(Br)CCOCCCCCCCCC 34a_100009813270_100011214924 [1,0,0,0,0,0|3,0,0]=4 127 B14R0.394 C=C(C)CCSCCCCCCCCC 62a_100000730704_100000210670 [1,0,0,0,0,0|3,0,0]=4 128 B14R0.394 C=C(C)CSCCCCCCCCCC 62a_100000748629_100000210320 [1,0,0,0,0,0|3,0,0]=4 129 B14R0.394 C=C(F)CSCCCCCCCCCC 62a_100000042424_100000210320 [1,0,0,0,0,0|3,0,0]=4 130 B16R0.114 CCCCCCCC(C)SCCCCC(=O)C 62a_100000735457_200011218727 [0,1,0,0,0,0|2,0,0]=3 131 B16R0.114 CCCCCCCC(C)SCCCCC(=O)C 62a_200011218727_100000735457 [0,1,0,0,0,0|2,0,0]=3 132 B16R0.114 CCCCCCCC(C)SCCCSC(=O)C 62a_100000038929_200011218727 [0,1,0,0,0,0|3,0,0]=4 133 B16R0.114 CCCCCCCC(C)SCCCSC(=O)C 62a_200011218727_100000038929 [0,1,0,0,0,0|3,0,0]=4 134 B16R0.177 CCCCCCC(C)SCCCCSC(=O)C 62a_100011215978_200010402107 [0,1,0,0,0,0|3,0,0]=4 135 B16R0.177 CCCCCCC(C)SCCCCSC(=O)C 62a_200010402107_100011215978 [0,1,0,0,0,0|3,0,0]=4 136 B16R0.221 C=CC(=O)CCCCCCCCCCCCC 1458a_100000185746_100000210684 [0,1,0,0,0,0|1,0,0]=2 137 B16R0.221 C=CCCCCCCCCCCCC(=O)C=C 1458a_100000185746_102130925996 [0,1,0,0,0,0|1,0,2]=4 138 B16R0.221 C=CCCCCCCCCCCCC(=O)CC 1458a_100000210414_102130925996 [0,1,0,0,0,0|1,0,2]=4 139 B16R0.221 CCCCCCCCCCCCCC(=O)CC 1458a_100000210414_100000210684 [0,1,0,0,0,0|1,0,0]=2 140 B16R0.221 CCCCCCCCCCCCCC(=O)CC 1458a_100000756256_100000210202 [0,1,0,0,0,0|1,0,0]=2 141 B16R0.221 CCCCCCCCCCCCCC(=O)CF 1458a_100000756256_100015361967 [0,1,0,0,0,0|1,0,0]=2 142 B16R0.221 CCCCCCCCCCCCCC(C)NC 270004a_106832991635_100011216122 [0,1,0,0,0,0|2,0,1]=4 143 B16R0.221 CCCCCCCCCCCCCN(C)CC 2230a_100000225621_100000210684 [0,1,0,0,0,0|3,0,0]=4 144 B16R0.221 CCCCCCCCCCCCCN(C)CC 269982a_100000225621_100000210684 [0,1,0,0,0,0|3,0,0]=4 145 B16R0.221 CCCCCCCCCCCCSC(C)CO 62a_100012180447_100000759014 [0,1,0,0,0,0|2,0,1]=4 146 B16R0.221 CCCCCCCCCCCCSC(C)OC 62a_100009879195_100000759014 [0,1,0,0,0,0|2,0,1]=4 147 B16R0.221 CCCCCCCCCCCCS[C@H](C)CO 62a_100016084084_100000759014 [0,1,0,0,0,0|2,0,1]=4 148 B16R0.221 CCCCCCCCCCCSCC(=O)CC 62a_100000747405_100011215454 [0,1,0,0,0,0|2,0,0]=3 149 B16R0.221 CCCCCCCCCCCSCC(O)CC 62a_100011218378_100011215454 [0,1,0,0,0,0|2,0,1]=4 150 B16R0.224 C=C(C)C(=O)CCCCCCCCCCCC 1458a_100000185857_100000759014 [0,1,0,0,0,0|2,0,1]=4 151 B16R0.224 C=C(C)C(C)NCCCCCCCCCCC 269862a_200011215754_100011216138 [0,1,0,0,0,0|3,0,0]=4 152 B16R0.224 CCCCCCCCCCCCC(C)C(=O)C 1458a_100000070787_200011217028 [0,1,0,0,0,0|1,0,0]=2 153 B16R0.224 CCCCCCCCCCCCC(C)N(C)C 2230a_100102631434_200011217028 [0,1,0,0,0,0|3,0,0]=4 154 B16R0.224 CCCCCCCCCCCCC(C)N(C)C 269982a_100102631434_200011217028 [0,1,0,0,0,0|3,0,0]=4 155 B16R0.224 CCCCCCCCCCCCC(C)N(C)C 270004a_100102631434_100011219199 [0,1,0,0,0,0|3,0,0]=4 156 B16R0.224 CCCCCCCCCCCSC(C)C(=O)C 62a_100009814033_100011215454 [0,1,0,0,0,0|2,0,0]=3 157 B16R0.274 C=C(Br)CCOCCCCCCCCCCC 34a_100009813270_100011215454 [0,1,0,0,0,0|2,0,0]=3 158 B16R0.274 C=C(C)CCNCCCCCCCCCCC 2230a_200011215754_100000730704 [0,1,0,0,0,0|2,0,0]=3 159 B16R0.274 C=C(C)CCNCCCCCCCCCCC 34a_200011215754_100000730704 [0,1,0,0,0,0|2,0,0]=3 160 B16R0.274 C=C(C)CCOCCCCCCCCCCBr 34a_100009813290_100000730704 [0,1,0,0,0,0|3,0,0]=4 161 B16R0.274 C=C(C)CCOCCCCCCCCCCBr 7a_100009813290_100000730704 [0,1,0,0,0,0|3,0,0]=4 162 B16R0.274 C=C(C)CCOCCCCCCCCCCC 34a_100000210809_100000730704 [0,1,0,0,0,0|2,0,0]=3 163 B16R0.274 C=C(C)CCOCCCCCCCCCCC 34a_100000764851_100011215454 [0,1,0,0,0,0|2,0,0]=3 164 B16R0.274 C=C(C)CCOCCCCCCCCCCC 7a_100000210809_100000730704 [0,1,0,0,0,0|2,0,0]=3 165 B16R0.274 C=C(C)CCOCCCCCCCCCCCl 34a_200000033068_100000730704 [0,1,0,0,0,0|3,0,0]=4 166 B16R0.274 C=C(C)CCOCCCCCCCCCCCl 7a_200000033068_100000730704 [0,1,0,0,0,0|3,0,0]=4 167 B16R0.274 C=C(C)CNCCCCCCCCCCCC 2230a_100000210451_100000748629 [0,1,0,0,0,0|2,0,0]=3 168 B16R0.274 C=C(C)CNCCCCCCCCCCCC 34a_100000210451_100000748629 [0,1,0,0,0,0|2,0,0]=3 169 B16R0.274 C=C(C)COCCCCCCCCCCCBr 34a_100009812471_100000748629 [0,1,0,0,0,0|3,0,0]=4 170 B16R0.274 C=C(C)COCCCCCCCCCCCBr 7a_100009812471_100000748629 [0,1,0,0,0,0|3,0,0]=4 171 B16R0.274 C=C(C)COCCCCCCCCCCCC 34a_100000210245_100000759014 [0,1,0,0,0,0|2,0,0]=3 172 B16R0.274 C=C(C)COCCCCCCCCCCCC 34a_100000210810_100000748629 [0,1,0,0,0,0|2,0,0]=3 173 B16R0.274 C=C(C)COCCCCCCCCCCCC 7a_100000210810_100000748629 [0,1,0,0,0,0|2,0,0]=3 174 B16R0.274 C=C(F)COCCCCCCCCCCCBr 34a_100009812471_100009893438 [0,1,0,0,0,0|3,0,0]=4 175 B16R0.274 C=C(F)COCCCCCCCCCCCBr 7a_100009812471_100000042424 [0,1,0,0,0,0|3,0,0]=4 176 B16R0.274 C=C(F)COCCCCCCCCCCCC 34a_100000210810_100009893438 [0,1,0,0,0,0|2,0,0]=3 177 B16R0.274 C=C(F)COCCCCCCCCCCCC 34a_200010262243_100000759014 [0,1,0,0,0,0|2,0,0]=3 178 B16R0.274 C=C(F)COCCCCCCCCCCCC 7a_100000210810_100000042424 [0,1,0,0,0,0|2,0,0]=3 179 B16R0.274 C=CCCCCCCCCCSCCC(=O)C 62a_100000053229_100009814027 [0,1,0,0,0,0|1,0,2]=4 180 B16R0.274 C=CCCCCCCCCCSCCC(=O)C 62a_100009814027_100000053229 [0,1,0,0,0,0|1,0,2]=4 181 B16R0.274 C=CCCCCCCCCSCCCC(=O)C 62a_100011215641_100011933949 [0,1,0,0,0,0|1,0,2]=4 182 B16R0.274 C=CCCCCCCCCSCCCC(=O)C 62a_100011933949_100011215641 [0,1,0,0,0,0|1,0,2]=4 183 B16R0.274 C=CCCCCCCCSCCCCC(=O)C 62a_100000735457_100012355270 [0,1,0,0,0,0|1,0,2]=4 184 B16R0.274 C=CCCCCCCCSCCCCC(=O)C 62a_100012355270_100000735457 [0,1,0,0,0,0|1,0,2]=4 185 B16R0.274 CC(=O)SCCCCCCCCCCCS[13CH3] 62a_100010140907_200025704644 [0,1,0,0,0,0|2,0,0]=3 186 B16R0.274 CC(=O)SCCCCCCCCCCCS[13CH3] 62a_200025704644_100010140907 [0,1,0,0,0,0|2,0,0]=3 187 B16R0.274 CCCCCCCCCCCCCCC(=O)C 1458a_100000070787_100011215471 [0,1,0,0,0,0|1,0,0]=2 188 B16R0.274 CCCCCCCCCCCCCCC(=O)C 1458a_100000297455_200000210301 [0,1,0,0,0,0|1,0,0]=2 189 B16R0.274 CCCCCCCCCCCCCCC(=O)[13CH3] 1458a_100000297455_200025704644 [0,1,0,0,0,0|1,0,0]=2 190 B16R0.274 CCCCCCCCCCCCCCN(C)C 2230a_100102631434_100011215471 [0,1,0,0,0,0|3,0,0]=4 191 B16R0.274 CCCCCCCCCCCCCCN(C)C 269982a_100102631434_100011215471 [0,1,0,0,0,0|3,0,0]=4 192 B16R0.274 CCCCCCCCCCCCCCN(C)C 270004a_100102631434_200011216147 [0,1,0,0,0,0|3,0,0]=4 193 B16R0.274 CCCCCCCCCCCCCNC(C)C 2230a_100011215765_100000210206 [0,1,0,0,0,0|2,0,1]=4 194 B16R0.274 CCCCCCCCCCCCCNC(C)C 2230a_100138425928_100000210684 [0,1,0,0,0,0|2,0,1]=4 195 B16R0.274 CCCCCCCCCCCCCNC(C)C 34a_100011215765_100000210206 [0,1,0,0,0,0|2,0,1]=4 196 B16R0.274 CCCCCCCCCCCCCNC(C)C 34a_100138425928_100000210684 [0,1,0,0,0,0|2,0,1]=4 197 B16R0.274 CCCCCCCCCCCCCOC(C)C 34a_100000185773_100000210206 [0,1,0,0,0,0|2,0,1]=4 198 B16R0.274 CCCCCCCCCCCCCOC(C)C 34a_100000212225_100000210684 [0,1,0,0,0,0|2,0,1]=4 199 B16R0.274 CCCCCCCCCCCCCOC(C)C 7a_100000185773_100000210206 [0,1,0,0,0,0|2,0,1]=4 200 B16R0.274 CCCCCCCCCCCCNCC(C)C 2230a_100000210451_100000210760 [0,1,0,0,0,0|2,0,1]=4 201 B16R0.274 CCCCCCCCCCCCNCC(C)C 2230a_100000210953_100011215052 [0,1,0,0,0,0|2,0,1]=4 202 B16R0.274 CCCCCCCCCCCCNCC(C)C 270004a_100000210451_100000210432 [0,1,0,0,0,0|2,0,1]=4 203 B16R0.274 CCCCCCCCCCCCNCC(C)C 270004a_100000210953_100011218549 [0,1,0,0,0,0|2,0,1]=4 204 B16R0.274 CCCCCCCCCCCCNCC(C)C 34a_100000210451_100000210624 [0,1,0,0,0,0|2,0,1]=4 205 B16R0.274 CCCCCCCCCCCCNCC(C)C 34a_100000210953_100000759014 [0,1,0,0,0,0|2,0,1]=4 206 B16R0.274 CCCCCCCCCCCCOCC(C)Br 34a_100012180447_100000759014 [0,1,0,0,0,0|2,0,1]=4 207 B16R0.274 CCCCCCCCCCCCOCC(C)C 34a_100000210257_100000759014 [0,1,0,0,0,0|2,0,1]=4 208 B16R0.274 CCCCCCCCCCCCOCC(C)C 34a_100000210810_100000210624 [0,1,0,0,0,0|2,0,1]=4 209 B16R0.274 CCCCCCCCCCCCOCC(C)C 7a_100000210810_100000210760 [0,1,0,0,0,0|2,0,1]=4 210 B16R0.274 CCCCCCCCCCCCOCC(C)F 34a_100015925927_100000759014 [0,1,0,0,0,0|2,0,1]=4 211 B16R0.274 CCCCCCCCCCCCOCC(F)F 34a_100000210810_100011934356 [0,1,0,0,0,0|2,0,1]=4 212 B16R0.274 CCCCCCCCCCCCOCC(F)F 34a_100000743014_100000759014 [0,1,0,0,0,0|2,0,1]=4 213 B16R0.274 CCCCCCCCCCCCOCC(F)F 7a_100000210810_100011934356 [0,1,0,0,0,0|2,0,1]=4 214 B16R0.274 CCCCCCCCCCCCOC[C@@H](C)Cl 34a_100016084084_100000759014 [0,1,0,0,0,0|2,0,1]=4 215 B16R0.274 CCCCCCCCCCCCSCC(C)O 62a_100011218427_100000759014 [0,1,0,0,0,0|1,0,1]=3 216 B16R0.274 CCCCCCCCCCCCSCC(F)F 62a_100011934356_100000759014 [0,1,0,0,0,0|2,0,1]=4 217 B16R0.274 CCCCCCCCCCCCSC[C@@H](C)O 62a_100009817552_100000759014 [0,1,0,0,0,0|1,0,1]=3 218 B16R0.274 CCCCCCCCCCCNCC=C(C)C 2230a_200011215754_100000761012 [0,1,0,0,0,0|2,0,1]=4 219 B16R0.274 CCCCCCCCCCCNCC=C(C)C 34a_100000718196_100011215454 [0,1,0,0,0,0|2,0,1]=4 220 B16R0.274 CCCCCCCCCCCNCC=C(C)C 34a_200011215754_100000761012 [0,1,0,0,0,0|2,0,1]=4 221 B16R0.274 CCCCCCCCCCCNCCC(C)C 2230a_200011215754_100000210312 [0,1,0,0,0,0|2,0,1]=4 222 B16R0.274 CCCCCCCCCCCNCCC(C)C 269862a_200011215754_100000185833 [0,1,0,0,0,0|2,0,1]=4 223 B16R0.274 CCCCCCCCCCCNCCC(C)C 34a_200011215754_100000210312 [0,1,0,0,0,0|2,0,1]=4 224 B16R0.274 CCCCCCCCCCCOCC=C(C)C 34a_100000210809_100000761012 [0,1,0,0,0,0|2,0,1]=4 225 B16R0.274 CCCCCCCCCCCOCC=C(C)C 34a_100000753907_100011215454 [0,1,0,0,0,0|2,0,1]=4 226 B16R0.274 CCCCCCCCCCCOCC=C(C)C 7a_100000210809_100000761012 [0,1,0,0,0,0|2,0,1]=4 227 B16R0.274 CCCCCCCCCCCOCCC(C)Br 34a_100009893172_100011215454 [0,1,0,0,0,0|2,0,1]=4 228 B16R0.274 CCCCCCCCCCCOCCC(C)C 34a_100000210254_100011215454 [0,1,0,0,0,0|2,0,1]=4 229 B16R0.274 CCCCCCCCCCCOCCC(C)C 34a_100000210809_100000210312 [0,1,0,0,0,0|2,0,1]=4 230 B16R0.274 CCCCCCCCCCCOCCC(C)C 7a_100000210254_100011215454 [0,1,0,0,0,0|2,0,1]=4 231 B16R0.274 CCCCCCCCCCCOCCC(C)C 7a_100000210809_100000210626 [0,1,0,0,0,0|2,0,1]=4 232 B16R0.274 CCCCCCCCCCCOCCC(F)F 34a_100103093639_100011215454 [0,1,0,0,0,0|2,0,1]=4 233 B16R0.274 CCCCCCCCCCCSCCC(=O)C 62a_100000053229_100011215454 [0,1,0,0,0,0|1,0,0]=2 234 B16R0.274 CCCCCCCCCCCSCCC(C)O 62a_100012276601_100011215454 [0,1,0,0,0,0|1,0,1]=3 235 B16R0.274 CCCCCCCCCCNCCC=C(C)C 2230a_100000684558_100011217483 [0,1,0,0,0,0|2,0,1]=4 236 B16R0.274 CCCCCCCCCCNCCC=C(C)C 34a_100000684558_100011217483 [0,1,0,0,0,0|2,0,1]=4 237 B16R0.274 CCCCCCCCCCNCCCC(C)C 2230a_100000684558_100011214892 [0,1,0,0,0,0|2,0,1]=4 238 B16R0.274 CCCCCCCCCCNCCCC(C)C 2230a_200000737386_100000210320 [0,1,0,0,0,0|2,0,1]=4 239 B16R0.274 CCCCCCCCCCNCCCC(C)C 34a_100000684558_100011214892 [0,1,0,0,0,0|2,0,1]=4 240 B16R0.274 CCCCCCCCCCNCCCC(C)C 34a_200000737386_100000210320 [0,1,0,0,0,0|2,0,1]=4 241 B16R0.274 CCCCCCCCCCOCCC=C(C)C 34a_100000210711_100011217483 [0,1,0,0,0,0|2,0,1]=4 242 B16R0.274 CCCCCCCCCCOCCC=C(C)C 7a_100000210711_100011217483 [0,1,0,0,0,0|2,0,1]=4 243 B16R0.274 CCCCCCCCCCOCCC=C(F)F 34a_100000210711_200009816681 [0,1,0,0,0,0|2,0,1]=4 244 B16R0.274 CCCCCCCCCCOCCC=C(F)F 7a_100000210711_200009816681 [0,1,0,0,0,0|2,0,1]=4 245 B16R0.274 CCCCCCCCCCOCCCC(C)C 34a_100000210711_100011214892 [0,1,0,0,0,0|2,0,1]=4 246 B16R0.274 CCCCCCCCCCOCCCC(C)C 34a_100000210774_100000210320 [0,1,0,0,0,0|2,0,1]=4 247 B16R0.274 CCCCCCCCCCOCCCC(C)C 7a_100000210711_100011214892 [0,1,0,0,0,0|2,0,1]=4 248 B16R0.274 CCCCCCCCCCOCCCC(C)C 7a_100000210774_100000210320 [0,1,0,0,0,0|2,0,1]=4 249 B16R0.274 CCCCCCCCCCSCCCC(=O)C 62a_100011215641_100000210320 [0,1,0,0,0,0|1,0,0]=2 250 B16R0.274 CCCCCCCCCCSCCCC(C)O 62a_200000718107_100000210320 [0,1,0,0,0,0|1,0,1]=3 251 B16R0.274 CCCCCCCCCNCCCCC(C)C 2230a_100000212291_100011216152 [0,1,0,0,0,0|2,0,1]=4 252 B16R0.274 CCCCCCCCCNCCCCC(C)C 34a_100000212291_100011216152 [0,1,0,0,0,0|2,0,1]=4 253 B16R0.274 CCCCCCCCCOCCCCC(C)C 34a_100000210712_100011216152 [0,1,0,0,0,0|2,0,1]=4 254 B16R0.274 CCCCCCCCCOCCCCC(C)C 34a_100011214890_100011214924 [0,1,0,0,0,0|2,0,1]=4 255 B16R0.274 CCCCCCCCCOCCCCC(C)C 7a_100000210712_100011216152 [0,1,0,0,0,0|2,0,1]=4 256 B16R0.274 CCCCCCCCCOCCCCC(C)C 7a_100011214890_100000210328 [0,1,0,0,0,0|2,0,1]=4 257 B16R0.274 CCCCCCCCCSCCCCC(=O)C 62a_100000735457_100000210670 [0,1,0,0,0,0|1,0,0]=2 258 B16R0.274 CCCCCCCCCSCCCOC(=S)C 62a_200135323944_100000210670 [0,1,0,0,0,0|2,1,0]=4 259 B16R0.274 CCCCCCCCCSCCCSC(=O)C 62a_100000038929_100000210670 [0,1,0,0,0,0|2,0,0]=3 260 B16R0.274 CCCCCCCCNCCCCCC(C)C 2230a_100000229939_100000210682 [0,1,0,0,0,0|2,0,1]=4 261 B16R0.274 CCCCCCCCNCCCCCC(C)C 2230a_100011290863_100000210759 [0,1,0,0,0,0|2,0,1]=4 262 B16R0.274 CCCCCCCCNCCCCCC(C)C 34a_100000229939_100000210682 [0,1,0,0,0,0|2,0,1]=4 263 B16R0.274 CCCCCCCCNCCCCCC(C)C 34a_100011290863_100000210759 [0,1,0,0,0,0|2,0,1]=4 264 B16R0.274 CCCCCCCCOCCCCCC(C)C 34a_100000210232_100000210682 [0,1,0,0,0,0|2,0,1]=4 265 B16R0.274 CCCCCCCCOCCCCCC(C)C 34a_100011995859_100000210759 [0,1,0,0,0,0|2,0,1]=4 266 B16R0.274 CCCCCCCCOCCCCCC(C)C 7a_100000210232_100000210682 [0,1,0,0,0,0|2,0,1]=4 267 B16R0.274 CCCCCCCCOCCCCCC(C)C 7a_100011995859_100000210759 [0,1,0,0,0,0|2,0,1]=4 268 B16R0.274 CCCCCCCCSCCCCSC(=O)C 62a_100000210759_200010402107 [0,1,0,0,0,0|2,0,0]=3 269 B16R0.274 CCCCCCCCSCCCCSC(=O)C 62a_200010402107_100000210317 [0,1,0,0,0,0|2,0,0]=3 270 B16R0.274 CCCCCCCNCCCCCCC(C)C 2230a_100000211014_100000210681 [0,1,0,0,0,0|2,0,1]=4 271 B16R0.274 CCCCCCCNCCCCCCC(C)C 34a_100000211014_100000210614 [0,1,0,0,0,0|2,0,1]=4 272 B16R0.274 CCCCCCOCCCCCCCC(C)C 34a_200000210741_100000210314 [0,1,0,0,0,0|2,0,1]=4 273 B16R0.274 CCCCCCOCCCCCCCC(C)C 7a_200000210741_100000210314 [0,1,0,0,0,0|2,0,1]=4 274 B16R0.274 CSCCCCCCCCCCCSC(=O)C 62a_100010140907_200000210301 [0,1,0,0,0,0|2,0,0]=3 275 B16R0.274 CSCCCCCCCCCCCSC(=O)C 62a_200000210301_100010140907 [0,1,0,0,0,0|2,0,0]=3 276 B16R0.297 C=C(C)CCOC(C)CCCCCCCCC 34a_100011218016_100000730704 [0,1,0,0,0,0|3,0,0]=4 277 B16R0.297 C=C(C)CCOC(C)CCCCCCCCC 7a_100011218016_100000730704 [0,1,0,0,0,0|3,0,0]=4 278 B16R0.302 C=C(C)CC(=O)CCCCCCCCCCC 1458a_100000210736_100000748629 [0,1,0,0,0,0|2,0,1]=4 279 B16R0.302 C=C(C)CN(C)CCCCCCCCCCC 2230a_100000225649_100011215454 [0,1,0,0,0,0|3,0,0]=4 280 B16R0.302 C=C(C)CN(C)CCCCCCCCCCC 269982a_100000225649_100011215454 [0,1,0,0,0,0|3,0,0]=4 281 B16R0.302 C=C(F)CC(=O)CCCCCCCCCCC 1458a_100000210736_100009893438 [0,1,0,0,0,0|2,0,1]=4 282 B16R0.1188 CCCCCCCCCCCSCC(C)(C)O 62a_100000764493_100011215454 [0,1,0,0,0,0|2,0,1]=4 283 B16R0.1188 CCCCCCCCCCSCCC(C)(C)O 62a_100000702414_100000210320 [0,1,0,0,0,0|2,0,1]=4 284 B16R0.1188 CCCCCCCCCSCCCC(C)(C)O 62a_100009888830_100000210670 [0,1,0,0,0,0|2,0,1]=4 285 B16R0.1188 CCCCCCCSCCCCCC(C)(C)O 62a_100000210614_100010402123 [0,1,0,0,0,0|2,0,1]=4 286 B16R0.1188 CCCCCCCSCCCCCC(C)(C)O 62a_100010402123_100000210316 [0,1,0,0,0,0|2,0,1]=4 287 B16R0.1820 C=C(C)CCOCC(C)CCCCCCCC 34a_200012125181_100000730704 [0,1,0,0,0,0|3,0,0]=4 288 B16R0.1820 C=C(C)CCOCC(C)CCCCCCCC 7a_200012125181_100000730704 [0,1,0,0,0,0|3,0,0]=4 289 B16R0.3183 C=C(C)CCC(=O)CCCCCCCCCC 1458a_100000210375_100000730704 [0,1,0,0,0,0|2,0,1]=4 290 B16R0.3183 C=C(C)CCC(=O)CCCCCCCCCC 1458a_200000688413_100000210319 [0,1,0,0,0,0|2,0,1]=4 291 B16R0.3183 C=C(C)CCC(C)NCCCCCCCCC 270004a_100000212291_100011215600 [0,1,0,0,0,0|3,0,0]=4 292 B16R0.3183 C=C(C)CCN(C)CCCCCCCCCC 2230a_100000207566_100000730704 [0,1,0,0,0,0|3,0,0]=4 293 B16R0.3183 C=C(C)CCN(C)CCCCCCCCCC 269982a_100000207566_100000730704 [0,1,0,0,0,0|3,0,0]=4 294 B16R0.3183 C=C(C)COC(C)CCCCCCCCCC 34a_100011215000_100000748629 [0,1,0,0,0,0|3,0,0]=4 295 B16R0.3183 C=C(C)COC(C)CCCCCCCCCC 7a_100011215000_100000748629 [0,1,0,0,0,0|3,0,0]=4 296 B16R0.3183 C=C(F)COC(C)CCCCCCCCCC 34a_100011215000_100009893438 [0,1,0,0,0,0|3,0,0]=4 297 B16R0.3183 C=C(F)COC(C)CCCCCCCCCC 7a_100011215000_100000042424 [0,1,0,0,0,0|3,0,0]=4 298 B16R0.3183 CCCCCCCCSCC(C)CSC(=O)C 62a_100000210759_200000116872 [0,1,0,0,0,0|3,0,0]=4 299 B16R0.3183 CCCCCCCCSCC(C)CSC(=O)C 62a_200000116872_100000210317 [0,1,0,0,0,0|3,0,0]=4 300 B16R0.3288 CC(=O)SCCCCSCCCCCC(C)C 62a_100000210682_200010402107 [0,1,0,0,0,0|3,0,0]=4 301 B16R0.3288 CC(=O)SCCCCSCCCCCC(C)C 62a_200010402107_100000210682 [0,1,0,0,0,0|3,0,0]=4 302 B13R0.336 C=CCCCCCCCCCCSC 62a_100011093070_200000210301 [2,0,0,0,0,0|1,0,1]=4 303 B13R0.336 C=CCCCCCCCCCCSC 62a_200000210301_100011093070 [2,0,0,0,0,0|1,0,1]=4 304 B13R0.336 C=CCCCCCCCCCCS[13CH3] 62a_100011093070_200025704644 [2,0,0,0,0,0|1,0,1]=4 305 B13R0.336 C=CCCCCCCCCCCS[13CH3] 62a_200025704644_100011093070 [2,0,0,0,0,0|1,0,1]=4 306 B13R0.336 C=CCCCCCCCCCSCC 62a_100000210202_100009814027 [2,0,0,0,0,0|1,0,1]=4 307 B13R0.336 C=CCCCCCCCCCSCC 62a_100009814027_100000210202 [2,0,0,0,0,0|1,0,1]=4 308 B13R0.336 C=CCCCCCCCCSCCC 62a_100000210303_100011933949 [2,0,0,0,0,0|1,0,1]=4 309 B13R0.336 C=CCCCCCCCCSCCC 62a_100011933949_100000210303 [2,0,0,0,0,0|1,0,1]=4 310 B13R0.336 C=CCCCCCCCSCCCC 62a_100000210211_100012355270 [2,0,0,0,0,0|1,0,1]=4 311 B13R0.336 C=CCCCCCCCSCCCC 62a_100012355270_100000210210 [2,0,0,0,0,0|1,0,1]=4 312 B13R0.336 C=CCCCCCCSCCCCC 62a_100000210326_100011215473 [2,0,0,0,0,0|1,0,1]=4 313 B13R0.336 C=CCCCCCCSCCCCC 62a_100011215473_100000210326 [2,0,0,0,0,0|1,0,1]=4 314 B13R0.336 C=CCCCCCSCCCCCC 62a_100000210314_100000700193 [2,0,0,0,0,0|1,0,1]=4 315 B13R0.336 C=CCCCCCSCCCCCC 62a_100000700193_100000210757 [2,0,0,0,0,0|1,0,1]=4 316 B13R0.336 C=CCCCCSCCCCCCC 62a_100000210614_100011215482 [2,0,0,0,0,0|1,0,1]=4 317 B13R0.336 C=CCCCCSCCCCCCC 62a_100011215482_100000210316 [2,0,0,0,0,0|1,0,1]=4 318 B13R0.336 C=CCCCSCCCCCCCC 62a_100000210759_100000757094 [2,0,0,0,0,0|1,0,1]=4 319 B13R0.336 C=CCCCSCCCCCCCC 62a_100011713584_100000210317 [2,0,0,0,0,0|1,0,1]=4 320 B13R0.336 C=CCCSCCCCCCCCC 62a_100000754431_100000210670 [2,0,0,0,0,0|1,0,1]=4 321 B13R0.336 C=CCSCCCCCCCCCC 62a_100000210623_100000210320 [2,0,0,0,0,0|1,0,1]=4 322 B13R0.336 CCCCCCCCCCCCSC 62a_200000210301_100000759014 [2,0,0,0,0,0|1,0,1]=4 323 B13R0.336 CCCCCCCCCCCCS[13CH3] 62a_200025704644_100000759014 [2,0,0,0,0,0|1,0,1]=4 324 B13R0.336 CCCCCCCCCCCSCC 62a_100000210202_100011215454 [2,0,0,0,0,0|1,0,1]=4 325 B13R0.336 CCCCCCCCCCCSCF 62a_100015361967_100011215454 [2,0,0,0,0,0|2,0,0]=4 326 B13R0.336 CCCCCCCCCCSCCC 62a_100000210303_100000210320 [2,0,0,0,0,0|1,0,1]=4 327 B13R0.336 CCCCCCCCCSCCCC 62a_100000210211_100000210670 [2,0,0,0,0,0|1,0,1]=4 328 B13R0.336 CCCCCCCCSCCCCC 62a_100000210326_100000210317 [2,0,0,0,0,0|1,0,1]=4 329 B13R0.336 CCCCCCCCSCCCCC 62a_100000210759_100000210326 [2,0,0,0,0,0|1,0,1]=4 330 B13R0.336 CCCCCCCSCCCCCC 62a_100000210314_100000210316 [2,0,0,0,0,0|1,0,1]=4 331 B13R0.336 CCCCCCCSCCCCCC 62a_100000210614_100000210757 [2,0,0,0,0,0|1,0,1]=4 332 B15R0.70 C#CCCCCCCCSCCCCCC 62a_100000210314_100153394163 [1,1,0,0,0,0|1,0,1]=4 333 B15R0.70 C#CCCCCCCCSCCCCCC 62a_100153394163_100000210757 [1,1,0,0,0,0|1,0,1]=4 334 B15R0.70 C#CCCCCCCSCCCCCCC 62a_100000210614_100012276617 [1,1,0,0,0,0|1,0,1]=4 335 B15R0.70 C#CCCCCCCSCCCCCCC 62a_100012276617_100000210316 [1,1,0,0,0,0|1,0,1]=4 336 B15R0.70 C#CCCCCCSCCCCCCCC 62a_100000210759_100012094781 [1,1,0,0,0,0|1,0,1]=4 337 B15R0.70 C#CCCCCCSCCCCCCCC 62a_100012094781_100000210317 [1,1,0,0,0,0|1,0,1]=4 338 B15R0.70 C#CCCCCSCCCCCCCCC 62a_100010269958_100000210670 [1,1,0,0,0,0|1,0,1]=4 339 B15R0.70 C#CCCCSCCCCCCCCCC 62a_100011215417_100000210320 [1,1,0,0,0,0|1,0,1]=4 340 B15R0.70 C#CCCSCCCCCCCCCCC 62a_100000688953_100011215454 [1,1,0,0,0,0|1,0,1]=4 341 B15R0.70 C#CCSCCCCCCCCCCCC 62a_100000038162_100000759014 [1,1,0,0,0,0|1,0,1]=4 342 B15R0.70 C/C=C/CCOCCCCCCCCCC 34a_100016278192_100000210320 [1,1,0,0,0,0|1,0,1]=4 343 B15R0.70 C/C=C/COCCCCCCCCCCC 34a_100000210809_100102629194 [1,1,0,0,0,0|1,0,1]=4 344 B15R0.70 C/C=C/COCCCCCCCCCCC 34a_100016270725_100011215454 [1,1,0,0,0,0|1,0,1]=4 345 B15R0.70 C/C=C/COCCCCCCCCCCC 7a_100000210809_100102629194 [1,1,0,0,0,0|1,0,1]=4 346 B15R0.70 C/C=C/CSCCCCCCCCCCC 62a_100102629194_100011215454 [1,1,0,0,0,0|1,0,1]=4 347 B15R0.70 C=CCCCCCCCCCCCOCC 34a_100121572206_102130925996 [1,1,0,0,0,0|1,0,0]=3 348 B15R0.70 C=CCCCCCCCCCCCSCC 62a_100000210202_102130925996 [1,1,0,0,0,0|1,0,0]=3 349 B15R0.70 C=CCCCCCCCCCCCSCC 62a_102130925996_100000210202 [1,1,0,0,0,0|1,0,0]=3 350 B15R0.70 C=CCCCCCCCCCCCSCF 62a_100015361967_102130925996 [1,1,0,0,0,0|2,0,0]=4 351 B15R0.70 C=CCCCCCCCCCCCSCF 62a_102130925996_100015361967 [1,1,0,0,0,0|2,0,0]=4 352 B15R0.70 C=CCCCCCCCCCCOCCBr 34a_100000211926_100011093070 [1,1,0,0,0,0|2,0,0]=4 353 B15R0.70 C=CCCCCCCCCCCOCCC 34a_100000210258_100011093070 [1,1,0,0,0,0|1,0,0]=3 354 B15R0.70 C=CCCCCCCCCCCSCCC 62a_100000210303_100011093070 [1,1,0,0,0,0|1,0,0]=3 355 B15R0.70 C=CCCCCCCCCCCSCCC 62a_100011093070_100000210303 [1,1,0,0,0,0|1,0,0]=3 356 B15R0.70 C=CCCCCCCCCCCSCCF 62a_100011093070_100011217306 [1,1,0,0,0,0|2,0,0]=4 357 B15R0.70 C=CCCCCCCCCCCSCCF 62a_100011217306_100011093070 [1,1,0,0,0,0|2,0,0]=4 358 B15R0.70 C=CCCCCCCCCCCSCOC 62a_100000766300_100011093070 [1,1,0,0,0,0|2,0,0]=4 359 B15R0.70 C=CCCCCCCCCCCSCOC 62a_100011093070_100000766300 [1,1,0,0,0,0|2,0,0]=4 360 B15R0.70 C=CCCCCCCCCCCSCSC 62a_100011093070_100011218213 [1,1,0,0,0,0|2,0,0]=4 361 B15R0.70 C=CCCCCCCCCCCSCSC 62a_100011218213_100011093070 [1,1,0,0,0,0|2,0,0]=4 362 B15R0.70 C=CCCCCCCCCCOCCCBr 34a_100011217188_100009814027 [1,1,0,0,0,0|2,0,0]=4 363 B15R0.70 C=CCCCCCCCCCOCCCC 34a_100000038209_100000210210 [1,1,0,0,0,0|1,0,0]=3 364 B15R0.70 C=CCCCCCCCCCOCCCC 34a_100000210227_100009814027 [1,1,0,0,0,0|1,0,0]=3 365 B15R0.70 C=CCCCCCCCCCOCCCC 7a_100000038209_100000210211 [1,1,0,0,0,0|1,0,0]=3 366 B15R0.70 C=CCCCCCCCCCOCCCC 7a_100000210227_100009814027 [1,1,0,0,0,0|1,0,0]=3 367 B15R0.70 C=CCCCCCCCCCSCCCC 62a_100000210211_100009814027 [1,1,0,0,0,0|1,0,0]=3 368 B15R0.70 C=CCCCCCCCCCSCCCC 62a_100009814027_100000210210 [1,1,0,0,0,0|1,0,0]=3 369 B15R0.70 C=CCCCCCCCCCSCCCF 62a_100009814027_100011934791 [1,1,0,0,0,0|2,0,0]=4 370 B15R0.70 C=CCCCCCCCCCSCCCF 62a_100011934791_100009814027 [1,1,0,0,0,0|2,0,0]=4 371 B15R0.70 C=CCCCCCCCCCSCCSC 62a_100000212216_100009814027 [1,1,0,0,0,0|2,0,0]=4 372 B15R0.70 C=CCCCCCCCCCSCCSC 62a_100009814027_100000751147 [1,1,0,0,0,0|2,0,0]=4 373 B15R0.70 C=CCCCCCCCCCSCOCC 62a_100000739092_100009814027 [1,1,0,0,0,0|2,0,0]=4 374 B15R0.70 C=CCCCCCCCCCSCOCC 62a_100009814027_100000739092 [1,1,0,0,0,0|2,0,0]=4 375 B15R0.70 C=CCCCCCCCCOCCCCBr 34a_100011216708_100011933949 [1,1,0,0,0,0|2,0,0]=4 376 B15R0.70 C=CCCCCCCCCOCCCCC 34a_100000210253_100011933949 [1,1,0,0,0,0|1,0,0]=3 377 B15R0.70 C=CCCCCCCCCOCCCCC 34a_100011215194_100000718602 [1,1,0,0,0,0|1,0,0]=3 378 B15R0.70 C=CCCCCCCCCOCCCCC 7a_100000210253_100011933949 [1,1,0,0,0,0|1,0,0]=3 379 B15R0.70 C=CCCCCCCCCOCCCCC 7a_100011215194_100000210326 [1,1,0,0,0,0|1,0,0]=3 380 B15R0.70 C=CCCCCCCCCOCCCCI 34a_200012148704_100011933949 [1,1,0,0,0,0|2,0,0]=4 381 B15R0.70 C=CCCCCCCCCSCCCCC 62a_100000210326_100011933949 [1,1,0,0,0,0|1,0,0]=3 382 B15R0.70 C=CCCCCCCCCSCCCCC 62a_100011933949_100000210326 [1,1,0,0,0,0|1,0,0]=3 383 B15R0.70 C=CCCCCCCCCSCCCCF 62a_100000729493_100011933949 [1,1,0,0,0,0|2,0,0]=4 384 B15R0.70 C=CCCCCCCCCSCCCCF 62a_100011933949_100000729493 [1,1,0,0,0,0|2,0,0]=4 385 B15R0.70 C=CCCCCCCCCSCCSCC 62a_100000757381_100011933949 [1,1,0,0,0,0|2,0,0]=4 386 B15R0.70 C=CCCCCCCCCSCCSCC 62a_100011933949_100000757381 [1,1,0,0,0,0|2,0,0]=4 387 B15R0.70 C=CCCCCCCCOCCCCCBr 34a_100000746331_100012355270 [1,1,0,0,0,0|2,0,0]=4 388 B15R0.70 C=CCCCCCCCOCCCCCBr 7a_100000746331_100012355270 [1,1,0,0,0,0|2,0,0]=4 389 B15R0.70 C=CCCCCCCCOCCCCCC 34a_100000210259_100012355270 [1,1,0,0,0,0|1,0,0]=3 390 B15R0.70 C=CCCCCCCCOCCCCCC 34a_100000730831_100000210314 [1,1,0,0,0,0|1,0,0]=3 391 B15R0.70 C=CCCCCCCCOCCCCCC 7a_100000210259_100012355270 [1,1,0,0,0,0|1,0,0]=3 392 B15R0.70 C=CCCCCCCCOCCCCCC 7a_100000730831_100000210314 [1,1,0,0,0,0|1,0,0]=3 393 B15R0.70 C=CCCCCCCCOCCCCCI 34a_200012148887_100012355270 [1,1,0,0,0,0|2,0,0]=4 394 B15R0.70 C=CCCCCCCCOCCCCCI 7a_200012148887_100012355270 [1,1,0,0,0,0|2,0,0]=4 395 B15R0.70 C=CCCCCCCCSCCCCCC 62a_100000210314_100012355270 [1,1,0,0,0,0|1,0,0]=3 396 B15R0.70 C=CCCCCCCCSCCCCCC 62a_100012355270_100000210757 [1,1,0,0,0,0|1,0,0]=3 397 B15R0.70 C=CCCCCCCCSCCCCCF 62a_100000729378_100012355270 [1,1,0,0,0,0|2,0,0]=4 398 B15R0.70 C=CCCCCCCCSCCCCCF 62a_100012355270_100000729378 [1,1,0,0,0,0|2,0,0]=4 399 B15R0.70 C=CCCCCCCCSCOCCCC 62a_100011995733_100012355270 [1,1,0,0,0,0|2,0,0]=4 400 B15R0.70 C=CCCCCCCCSCOCCCC 62a_100012355270_100011995733 [1,1,0,0,0,0|2,0,0]=4 401 B15R0.70 C=CCCCCCCOCCCCCCBr 34a_100011215345_100011215473 [1,1,0,0,0,0|2,0,0]=4 402 B15R0.70 C=CCCCCCCOCCCCCCBr 7a_100011215345_100011215473 [1,1,0,0,0,0|2,0,0]=4 403 B15R0.70 C=CCCCCCCOCCCCCCC 34a_100000210272_100011215473 [1,1,0,0,0,0|1,0,0]=3 404 B15R0.70 C=CCCCCCCOCCCCCCC 34a_200011216477_100000210614 [1,1,0,0,0,0|1,0,0]=3 405 B15R0.70 C=CCCCCCCOCCCCCCC 7a_100000210272_100011215473 [1,1,0,0,0,0|1,0,0]=3 406 B15R0.70 C=CCCCCCCOCCCCCCC 7a_200011216477_100000210614 [1,1,0,0,0,0|1,0,0]=3 407 B15R0.70 C=CCCCCCCSCCCCCCC 62a_100000210614_100011215473 [1,1,0,0,0,0|1,0,0]=3 408 B15R0.70 C=CCCCCCCSCCCCCCC 62a_100011215473_100000210316 [1,1,0,0,0,0|1,0,0]=3 409 B15R0.70 C=CCCCCCCSCCCCCCF 62a_100011215473_100015922095 [1,1,0,0,0,0|2,0,0]=4 410 B15R0.70 C=CCCCCCCSCCCCCCF 62a_100015922095_100011215473 [1,1,0,0,0,0|2,0,0]=4 411 B15R0.70 C=CCCCCCOCCCCCCCBr 34a_100000760002_100000700193 [1,1,0,0,0,0|2,0,0]=4 412 B15R0.70 C=CCCCCCOCCCCCCCBr 7a_100000760002_100000700193 [1,1,0,0,0,0|2,0,0]=4 413 B15R0.70 C=CCCCCCOCCCCCCCC 34a_100000210232_100000700193 [1,1,0,0,0,0|1,0,0]=3 414 B15R0.70 C=CCCCCCOCCCCCCCC 34a_100011216702_100000210759 [1,1,0,0,0,0|1,0,0]=3 415 B15R0.70 C=CCCCCCOCCCCCCCC 7a_100000210232_100000700193 [1,1,0,0,0,0|1,0,0]=3 416 B15R0.70 C=CCCCCCOCCCCCCCC 7a_100011216702_100000210759 [1,1,0,0,0,0|1,0,0]=3 417 B15R0.70 C=CCCCCCSCCCCCCCC 62a_100000210759_100000700193 [1,1,0,0,0,0|1,0,0]=3 418 B15R0.70 C=CCCCCCSCCCCCCCC 62a_100000700193_100000210317 [1,1,0,0,0,0|1,0,0]=3 419 B15R0.70 C=CCCCCOCCCCCCCCBr 34a_100009813846_100011215482 [1,1,0,0,0,0|2,0,0]=4 420 B15R0.70 C=CCCCCOCCCCCCCCBr 7a_100009813846_100011215482 [1,1,0,0,0,0|2,0,0]=4 421 B15R0.70 C=CCCCCOCCCCCCCCC 34a_100000210712_100011215482 [1,1,0,0,0,0|1,0,0]=3 422 B15R0.70 C=CCCCCOCCCCCCCCC 34a_100000766645_100011214924 [1,1,0,0,0,0|1,0,0]=3 423 B15R0.70 C=CCCCCOCCCCCCCCC 7a_100000210712_100011215482 [1,1,0,0,0,0|1,0,0]=3 424 B15R0.70 C=CCCCCOCCCCCCCCC 7a_100000766645_100000210328 [1,1,0,0,0,0|1,0,0]=3 425 B15R0.70 C=CCCCCSCCCCCCCCC 62a_100011215482_100000210670 [1,1,0,0,0,0|1,0,0]=3 426 B15R0.70 C=CCCCOCCCCCCCCCBr 34a_100009813782_100000757094 [1,1,0,0,0,0|2,0,0]=4 427 B15R0.70 C=CCCCOCCCCCCCCCBr 7a_100009813782_100000757094 [1,1,0,0,0,0|2,0,0]=4 428 B15R0.70 C=CCCCOCCCCCCCCCC 34a_100000210711_100000757094 [1,1,0,0,0,0|1,0,0]=3 429 B15R0.70 C=CCCCOCCCCCCCCCC 34a_100000758997_100000210320 [1,1,0,0,0,0|1,0,0]=3 430 B15R0.70 C=CCCCOCCCCCCCCCC 7a_100000210711_100000757094 [1,1,0,0,0,0|1,0,0]=3 431 B15R0.70 C=CCCCOCCCCCCCCCC 7a_100000758997_100000210320 [1,1,0,0,0,0|1,0,0]=3 432 B15R0.70 C=CCCCSCCCCCCCCCC 62a_100011713584_100000210320 [1,1,0,0,0,0|1,0,0]=3 433 B15R0.70 C=CCCOCCCCCCCCCCBr 34a_100009813290_100000754431 [1,1,0,0,0,0|2,0,0]=4 434 B15R0.70 C=CCCOCCCCCCCCCCBr 7a_100009813290_100000754431 [1,1,0,0,0,0|2,0,0]=4 435 B15R0.70 C=CCCOCCCCCCCCCCC 34a_100000210809_100000754431 [1,1,0,0,0,0|1,0,0]=3 436 B15R0.70 C=CCCOCCCCCCCCCCC 34a_100011205117_100011215454 [1,1,0,0,0,0|1,0,0]=3 437 B15R0.70 C=CCCOCCCCCCCCCCC 7a_100000210809_100000754431 [1,1,0,0,0,0|1,0,0]=3 438 B15R0.70 C=CCCSCCCCCCCCCCC 62a_100000754431_100011215454 [1,1,0,0,0,0|1,0,0]=3 439 B15R0.70 C=CCOCCCCCCCCCCCBr 34a_100009812471_100015514636 [1,1,0,0,0,0|2,0,0]=4 440 B15R0.70 C=CCOCCCCCCCCCCCBr 7a_100009812471_100015514636 [1,1,0,0,0,0|2,0,0]=4 441 B15R0.70 C=CCOCCCCCCCCCCCC 34a_100000210810_100015514636 [1,1,0,0,0,0|1,0,0]=3 442 B15R0.70 C=CCOCCCCCCCCCCCC 34a_200000210373_100000759014 [1,1,0,0,0,0|1,0,0]=3 443 B15R0.70 C=CCOCCCCCCCCCCCC 7a_100000210810_100015514636 [1,1,0,0,0,0|1,0,0]=3 444 B15R0.70 C=CCSCCCCCCCCCCCC 62a_100000210623_100000759014 [1,1,0,0,0,0|1,0,0]=3 445 B15R0.70 C=COCCSCCCCCCCCCC 62a_100000039644_100000210320 [1,1,0,0,0,0|2,0,0]=4 446 B15R0.70 CC=CCCCOCCCCCCCCC 34a_100020645299_100011214924 [1,1,0,0,0,0|1,0,1]=4 447 B15R0.70 CC=CCOCCCCCCCCCCC 34a_100000210809_100000070051 [1,1,0,0,0,0|1,0,1]=4 448 B15R0.70 CC=CCOCCCCCCCCCCC 7a_100000210809_100000070051 [1,1,0,0,0,0|1,0,1]=4 449 B15R0.70 CC=CCSCCCCCCCCCCC 62a_100000070051_100011215454 [1,1,0,0,0,0|1,0,1]=4 450 B15R0.70 CCCCCCCCCCCCCCOC 34a_100000210739_200000210301 [1,1,0,0,0,0|0,0,1]=3 451 B15R0.70 CCCCCCCCCCCCCCOC 34a_100138415774_100011215471 [1,1,0,0,0,0|0,0,1]=3 452 B15R0.70 CCCCCCCCCCCCCCOC 7a_100000210739_200000210301 [1,1,0,0,0,0|0,0,1]=3 453 B15R0.70 CCCCCCCCCCCCCCO[13CH3] 34a_100000210739_200025704644 [1,1,0,0,0,0|0,0,1]=3 454 B15R0.70 CCCCCCCCCCCCCCO[13CH3] 7a_100000210739_200025704644 [1,1,0,0,0,0|0,0,1]=3 455 B15R0.70 CCCCCCCCCCCCCOCC 34a_100000185773_100000210202 [1,1,0,0,0,0|1,0,1]=4 456 B15R0.70 CCCCCCCCCCCCCOCC 34a_100121572206_100000210684 [1,1,0,0,0,0|1,0,1]=4 457 B15R0.70 CCCCCCCCCCCCCOCC 7a_100000185773_100000210202 [1,1,0,0,0,0|1,0,1]=4 458 B15R0.70 CCCCCCCCCCCCCOCF 34a_100000185773_100015361967 [1,1,0,0,0,0|1,0,1]=4 459 B15R0.70 CCCCCCCCCCCCCOCF 7a_100000185773_100015361967 [1,1,0,0,0,0|1,0,1]=4 460 B15R0.70 CCCCCCCCCCCCCSCF 62a_100015361967_100011934334 [1,1,0,0,0,0|1,0,1]=4 461 B15R0.70 CCCCCCCCCCCCOCCBr 34a_100000211926_100000759014 [1,1,0,0,0,0|1,0,1]=4 462 B15R0.70 CCCCCCCCCCCCOCCC 34a_100000210258_100000759014 [1,1,0,0,0,0|1,0,1]=4 463 B15R0.70 CCCCCCCCCCCCOCCC 34a_100000210810_100000210303 [1,1,0,0,0,0|1,0,1]=4 464 B15R0.70 CCCCCCCCCCCCOCCC 7a_100000210810_100000210303 [1,1,0,0,0,0|1,0,1]=4 465 B15R0.70 CCCCCCCCCCCCOCSC 34a_100000210810_100011218213 [1,1,0,0,0,0|2,0,0]=4 466 B15R0.70 CCCCCCCCCCCCSCC#N 62a_100011215382_100000759014 [1,1,0,0,0,0|1,0,1]=4 467 B15R0.70 CCCCCCCCCCCCSCCF 62a_100011217306_100000759014 [1,1,0,0,0,0|1,0,1]=4 468 B15R0.70 CCCCCCCCCCCCSCOC 62a_100000766300_100000759014 [1,1,0,0,0,0|1,0,1]=4 469 B15R0.70 CCCCCCCCCCCCSCSC 62a_100011218213_100000759014 [1,1,0,0,0,0|2,0,0]=4 470 B15R0.70 CCCCCCCCCCCOCCCBr 34a_100011217188_100011215454 [1,1,0,0,0,0|1,0,1]=4 471 B15R0.70 CCCCCCCCCCCOCCCC 34a_100000210227_100011215454 [1,1,0,0,0,0|1,0,1]=4 472 B15R0.70 CCCCCCCCCCCOCCCC 34a_100000210809_100000210210 [1,1,0,0,0,0|1,0,1]=4 473 B15R0.70 CCCCCCCCCCCOCCCC 7a_100000210227_100011215454 [1,1,0,0,0,0|1,0,1]=4 474 B15R0.70 CCCCCCCCCCCOCCCC 7a_100000210809_100000210211 [1,1,0,0,0,0|1,0,1]=4 475 B15R0.70 CCCCCCCCCCCOCCCCl 34a_100000230001_100011215454 [1,1,0,0,0,0|1,0,1]=4 476 B15R0.70 CCCCCCCCCCCSCCC#N 62a_100011215226_100011215454 [1,1,0,0,0,0|1,0,1]=4 477 B15R0.70 CCCCCCCCCCCSCCCF 62a_100011934791_100011215454 [1,1,0,0,0,0|1,0,1]=4 478 B15R0.70 CCCCCCCCCCCSCCSC 62a_100000212216_100011215454 [1,1,0,0,0,0|2,0,0]=4 479 B15R0.70 CCCCCCCCCCOCCCCBr 34a_100011216708_100000210320 [1,1,0,0,0,0|1,0,1]=4 480 B15R0.70 CCCCCCCCCCOCCCCC 34a_100000210253_100000210320 [1,1,0,0,0,0|1,0,1]=4 481 B15R0.70 CCCCCCCCCCOCCCCC 34a_100000210711_100000718602 [1,1,0,0,0,0|1,0,1]=4 482 B15R0.70 CCCCCCCCCCOCCCCC 7a_100000210253_100000210320 [1,1,0,0,0,0|1,0,1]=4 483 B15R0.70 CCCCCCCCCCOCCCCC 7a_100000210711_100000210326 [1,1,0,0,0,0|1,0,1]=4 484 B15R0.70 CCCCCCCCCCOCCCCCl 34a_100000210776_100000210320 [1,1,0,0,0,0|1,0,1]=4 485 B15R0.70 CCCCCCCCCCOCCCCCl 7a_100000210776_100000210320 [1,1,0,0,0,0|1,0,1]=4 486 B15R0.70 CCCCCCCCCCOCCCCI 34a_200012148704_100000210320 [1,1,0,0,0,0|1,0,1]=4 487 B15R0.70 CCCCCCCCCCSCCCC#N 62a_100000687738_100000210320 [1,1,0,0,0,0|1,0,1]=4 488 B15R0.70 CCCCCCCCCCSCCCCF 62a_100000729493_100000210320 [1,1,0,0,0,0|1,0,1]=4 489 B15R0.70 CCCCCCCCCOCCCCCBr 34a_100000746331_100011214924 [1,1,0,0,0,0|1,0,1]=4 490 B15R0.70 CCCCCCCCCOCCCCCBr 7a_100000746331_100000210328 [1,1,0,0,0,0|1,0,1]=4 491 B15R0.70 CCCCCCCCCOCCCCCC 34a_100000210259_100011214924 [1,1,0,0,0,0|1,0,1]=4 492 B15R0.70 CCCCCCCCCOCCCCCC 34a_100000210712_100000210314 [1,1,0,0,0,0|1,0,1]=4 493 B15R0.70 CCCCCCCCCOCCCCCC 7a_100000210259_100000210328 [1,1,0,0,0,0|1,0,1]=4 494 B15R0.70 CCCCCCCCCOCCCCCC 7a_100000210712_100000210314 [1,1,0,0,0,0|1,0,1]=4 495 B15R0.70 CCCCCCCCCOCCCCCCl 34a_100000746330_100011214924 [1,1,0,0,0,0|1,0,1]=4 496 B15R0.70 CCCCCCCCCOCCCCCCl 7a_100000746330_100000210328 [1,1,0,0,0,0|1,0,1]=4 497 B15R0.70 CCCCCCCCCOCCCCCI 34a_200012148887_100011214924 [1,1,0,0,0,0|1,0,1]=4 498 B15R0.70 CCCCCCCCCOCCCCCI 7a_200012148887_100000210328 [1,1,0,0,0,0|1,0,1]=4 499 B15R0.70 CCCCCCCCCSCCCCC#N 62a_100011219923_100000210670 [1,1,0,0,0,0|1,0,1]=4 500 B15R0.70 CCCCCCCCCSCCCCCF 62a_100000729378_100000210670 [1,1,0,0,0,0|1,0,1]=4 501 B15R0.70 CCCCCCCCOCCCCCCBr 34a_100011215345_100000210759 [1,1,0,0,0,0|1,0,1]=4 502 B15R0.70 CCCCCCCCOCCCCCCBr 7a_100011215345_100000210759 [1,1,0,0,0,0|1,0,1]=4 503 B15R0.70 CCCCCCCCOCCCCCCC 34a_100000210232_100000210614 [1,1,0,0,0,0|1,0,1]=4 504 B15R0.70 CCCCCCCCOCCCCCCC 34a_100000210272_100000210759 [1,1,0,0,0,0|1,0,1]=4 505 B15R0.70 CCCCCCCCOCCCCCCC 7a_100000210232_100000210614 [1,1,0,0,0,0|1,0,1]=4 506 B15R0.70 CCCCCCCCOCCCCCCC 7a_100000210272_100000210759 [1,1,0,0,0,0|1,0,1]=4 507 B15R0.70 CCCCCCCCOCCCCCCCl 34a_100000766143_100000210759 [1,1,0,0,0,0|1,0,1]=4 508 B15R0.70 CCCCCCCCOCCCCCCCl 7a_100000766143_100000210759 [1,1,0,0,0,0|1,0,1]=4 509 B15R0.70 CCCCCCCCSCCCCCC#N 62a_100000210759_100009813376 [1,1,0,0,0,0|1,0,1]=4 510 B15R0.70 CCCCCCCCSCCCCCC#N 62a_100009813376_100000210317 [1,1,0,0,0,0|1,0,1]=4 511 B15R0.70 CCCCCCCCSCCCCCCF 62a_100000210759_100015922095 [1,1,0,0,0,0|1,0,1]=4 512 B15R0.70 CCCCCCCCSCCCCCCF 62a_100015922095_100000210317 [1,1,0,0,0,0|1,0,1]=4 513 B15R0.70 CCCCCCCOCCCCCCCBr 34a_100000760002_100000210614 [1,1,0,0,0,0|1,0,1]=4 514 B15R0.70 CCCCCCCOCCCCCCCBr 7a_100000760002_100000210614 [1,1,0,0,0,0|1,0,1]=4 515 B15R0.70 CCCCCCCSCCCCCCC#N 62a_100000210614_100009813337 [1,1,0,0,0,0|1,0,1]=4 516 B15R0.70 CCCCCCCSCCCCCCC#N 62a_100009813337_100000210316 [1,1,0,0,0,0|1,0,1]=4 517 B15R0.70 CCCCCCOCCCCCCCCBr 34a_100009813846_100000210314 [1,1,0,0,0,0|1,0,1]=4 518 B15R0.70 CCCCCCOCCCCCCCCBr 7a_100009813846_100000210314 [1,1,0,0,0,0|1,0,1]=4 519 B15R0.70 CCCCCCOCCCCCCCCCl 34a_100000033203_100000210314 [1,1,0,0,0,0|1,0,1]=4 520 B15R0.70 CCCCCCOCCCCCCCCCl 7a_100000033203_100000210314 [1,1,0,0,0,0|1,0,1]=4 521 B15R0.70 CCCCCOCCCCCCCCCBr 34a_100009813782_100000718602 [1,1,0,0,0,0|1,0,1]=4 522 B15R0.70 CCCCCOCCCCCCCCCBr 7a_100009813782_100000210326 [1,1,0,0,0,0|1,0,1]=4 523 B15R0.70 CCCCCOCCCCCCCCCCl 34a_100009868337_100000718602 [1,1,0,0,0,0|1,0,1]=4 524 B15R0.70 CCCCCOCCCCCCCCCCl 7a_100009868337_100000210326 [1,1,0,0,0,0|1,0,1]=4 525 B15R0.70 CCCCOCCCCCCCCCCBr 34a_100009813290_100000210210 [1,1,0,0,0,0|1,0,1]=4 526 B15R0.70 CCCCOCCCCCCCCCCBr 7a_100009813290_100000210211 [1,1,0,0,0,0|1,0,1]=4 527 B15R0.70 CCCCOCCCCCCCCCCCl 34a_200000033068_100000210210 [1,1,0,0,0,0|1,0,1]=4 528 B15R0.70 CCCCOCCCCCCCCCCCl 7a_200000033068_100000210211 [1,1,0,0,0,0|1,0,1]=4 529 B15R0.70 CCCOCCCCCCCCCCCBr 34a_100009812471_100000210303 [1,1,0,0,0,0|1,0,1]=4 530 B15R0.70 CCCOCCCCCCCCCCCBr 7a_100009812471_100000210303 [1,1,0,0,0,0|1,0,1]=4 531 B15R0.70 CCOCCCCCCCCCCCCBr 34a_100009813331_100000210202 [1,1,0,0,0,0|1,0,1]=4 532 B15R0.70 CCOCCCCCCCCCCCCBr 7a_100009813331_100000210202 [1,1,0,0,0,0|1,0,1]=4 533 B15R0.70 COCCCCCCCCCCCCCBr 34a_100009812470_200000210301 [1,1,0,0,0,0|1,0,1]=4 534 B15R0.70 COCCCCCCCCCCCCCBr 7a_100009812470_200000210301 [1,1,0,0,0,0|1,0,1]=4 535 B15R0.70 [13CH3]OCCCCCCCCCCCCCBr 34a_100009812470_200025704644 [1,1,0,0,0,0|1,0,1]=4 536 B15R0.70 [13CH3]OCCCCCCCCCCCCCBr 7a_100009812470_200025704644 [1,1,0,0,0,0|1,0,1]=4 537 B15R0.81 C=CC(=O)CCCCCCCCCCCC 1458a_100000185746_100000759014 [1,1,0,0,0,0|1,0,1]=4 538 B15R0.81 C=CC(C)OCCCCCCCCCCC 34a_100000695699_100011215454 [1,1,0,0,0,0|2,0,0]=4 539 B15R0.81 C=CC(C)SCCCCCCCCCCC 62a_100011215867_100011215454 [1,1,0,0,0,0|2,0,0]=4 540 B15R0.81 C=CCCCCCCCCCCC(=O)CC 1458a_100000210414_100011093070 [1,1,0,0,0,0|1,0,1]=4 541 B15R0.81 C=CCCCCCCCCCOC(C)CC 34a_100000038209_100011215416 [1,1,0,0,0,0|2,0,0]=4 542 B15R0.81 C=CCCCCCCCCCOC(C)CC 7a_100000038209_100000758301 [1,1,0,0,0,0|2,0,0]=4 543 B15R0.81 C=CCCCCCCCCCOC(C)CC 7a_100000210228_100009814027 [1,1,0,0,0,0|2,0,0]=4 544 B15R0.81 C=CCCCCCCCCCSC(C)CC 62a_100000758301_100009814027 [1,1,0,0,0,0|2,0,0]=4 545 B15R0.81 C=CCCCCCCCCCSC(C)CC 62a_100009814027_100000758301 [1,1,0,0,0,0|2,0,0]=4 546 B15R0.81 C=CCCCCCCCCSCC(C)CC 62a_100000748023_100011933949 [1,1,0,0,0,0|2,0,0]=4 547 B15R0.81 C=CCCCCCCCCSCC(C)CC 62a_100011933949_100000748023 [1,1,0,0,0,0|2,0,0]=4 548 B15R0.81 C=CCCCCCCCCSC[C@@H](C)CC 62a_100009816398_100011933949 [1,1,0,0,0,0|2,0,0]=4 549 B15R0.81 C=CCCCCCCCCSC[C@@H](C)CC 62a_100011933949_100009816398 [1,1,0,0,0,0|2,0,0]=4 550 B15R0.81 CCCCCCCCCCCCC(C)OC 34a_100138415774_200011217028 [1,1,0,0,0,0|2,0,0]=4 551 B15R0.81 CCCCCCCCCCCCC(C)OC 34a_200011215752_200000210301 [1,1,0,0,0,0|2,0,0]=4 552 B15R0.81 CCCCCCCCCCCCC(C)OC 7a_200011215752_200000210301 [1,1,0,0,0,0|2,0,0]=4 553 B15R0.81 CCCCCCCCCCCCC(C)O[13CH3] 34a_200011215752_200025704644 [1,1,0,0,0,0|2,0,0]=4 554 B15R0.81 CCCCCCCCCCCCC(C)O[13CH3] 7a_200011215752_200025704644 [1,1,0,0,0,0|2,0,0]=4 555 B15R0.133 C=CCCCCCC(=O)CCCCCCC 1458a_100000211969_100000700193 [1,1,0,0,0,0|1,0,1]=4 556 B15R0.133 C=CCCCCCC(=O)CCCCCCC 1458a_100011934241_100000210614 [1,1,0,0,0,0|1,0,1]=4 557 B15R0.133 C=CCCCCOC(C)CCCCCCC 34a_100000766645_200011218727 [1,1,0,0,0,0|2,0,0]=4 558 B15R0.133 C=CCCCCOC(C)CCCCCCC 34a_200011215852_100011215482 [1,1,0,0,0,0|2,0,0]=4 559 B15R0.133 C=CCCCCOC(C)CCCCCCC 7a_100000766645_200011218727 [1,1,0,0,0,0|2,0,0]=4 560 B15R0.133 C=CCCCCOC(C)CCCCCCC 7a_200011215852_100011215482 [1,1,0,0,0,0|2,0,0]=4 561 B15R0.133 C=CCCCCSC(C)CCCCCCC 62a_100011215482_200011218727 [1,1,0,0,0,0|2,0,0]=4 562 B15R0.133 C=CCCCCSC(C)CCCCCCC 62a_200011218727_100011215482 [1,1,0,0,0,0|2,0,0]=4 563 B15R0.149 C=CCCCCC(=O)CCCCCCCC 1458a_100000210188_100011215482 [1,1,0,0,0,0|1,0,1]=4 564 B15R0.149 C=CCCCCC(=O)CCCCCCCC 1458a_100011215552_100000210759 [1,1,0,0,0,0|1,0,1]=4 565 B15R0.149 C=CCCCCCCC(=O)CCCCCC 1458a_100011809334_100000210757 [1,1,0,0,0,0|1,0,1]=4 566 B15R0.149 C=CCCCCCCC(=O)CCCCCC 1458a_100102632555_100011215473 [1,1,0,0,0,0|1,0,1]=4 567 B15R0.149 C=CCCCCCOC(C)CCCCCC 34a_100000210265_100000700193 [1,1,0,0,0,0|2,0,0]=4 568 B15R0.149 C=CCCCCCOC(C)CCCCCC 34a_100011216702_100011215978 [1,1,0,0,0,0|2,0,0]=4 569 B15R0.149 C=CCCCCCOC(C)CCCCCC 7a_100000210265_100000700193 [1,1,0,0,0,0|2,0,0]=4 570 B15R0.149 C=CCCCCCOC(C)CCCCCC 7a_100011216702_100011215978 [1,1,0,0,0,0|2,0,0]=4 571 B15R0.149 C=CCCCCCSC(C)CCCCCC 62a_100000700193_100011215978 [1,1,0,0,0,0|2,0,0]=4 572 B15R0.149 C=CCCCCCSC(C)CCCCCC 62a_100011215978_100000700193 [1,1,0,0,0,0|2,0,0]=4 573 B15R0.149 C=CCCCOC(C)CCCCCCCC 34a_100000210740_100000757094 [1,1,0,0,0,0|2,0,0]=4 574 B15R0.149 C=CCCCOC(C)CCCCCCCC 7a_100000210740_100000757094 [1,1,0,0,0,0|2,0,0]=4 575 B15R0.322 C=CCCCC(=O)CCCCCCCCC 1458a_100000210558_100000757094 [1,1,0,0,0,0|1,0,1]=4 576 B15R0.322 C=CCCCC(=O)CCCCCCCCC 1458a_100000766728_100000210670 [1,1,0,0,0,0|1,0,1]=4 577 B15R0.322 C=CCCCCCCCC(=O)CCCCC 1458a_100000212188_100012355270 [1,1,0,0,0,0|1,0,1]=4 578 B15R0.322 C=CCCCCCCCC(=O)CCCCC 1458a_100011216160_100000210326 [1,1,0,0,0,0|1,0,1]=4 579 B15R0.322 C=CCCCCCCOC(C)CCCCC 34a_100011215632_100011215473 [1,1,0,0,0,0|2,0,0]=4 580 B15R0.322 C=CCCCCCCOC(C)CCCCC 34a_200011216477_200011218191 [1,1,0,0,0,0|2,0,0]=4 581 B15R0.322 C=CCCCCCCOC(C)CCCCC 7a_100011215632_100011215473 [1,1,0,0,0,0|2,0,0]=4 582 B15R0.322 C=CCCCCCCOC(C)CCCCC 7a_200011216477_200011218191 [1,1,0,0,0,0|2,0,0]=4 583 B15R0.322 C=CCCCCCCSC(C)CCCCC 62a_100011215473_200011218191 [1,1,0,0,0,0|2,0,0]=4 584 B15R0.322 C=CCCCCCCSC(C)CCCCC 62a_200011218191_100011215473 [1,1,0,0,0,0|2,0,0]=4 585 B15R0.322 C=CCCOC(C)CCCCCCCCC 34a_100011218016_100000754431 [1,1,0,0,0,0|2,0,0]=4 586 B15R0.322 C=CCCOC(C)CCCCCCCCC 7a_100011218016_100000754431 [1,1,0,0,0,0|2,0,0]=4 587 B15R0.366 C=CCC(=O)CCCCCCCCCCC 1458a_100000210193_100011215454 [1,1,0,0,0,0|1,0,1]=4 588 B15R0.366 C=CCC(=O)CCCCCCCCCCC 1458a_100000210736_100000210623 [1,1,0,0,0,0|1,0,1]=4 589 B15R0.366 C=CCCCCCCCCCC(=O)CCC 1458a_100000211992_100009814027 [1,1,0,0,0,0|1,0,1]=4 590 B15R0.366 C=CCCCCCCCCOC(C)CCC 34a_100000764384_100011933949 [1,1,0,0,0,0|2,0,0]=4 591 B15R0.366 C=CCCCCCCCCOC(C)CCC 34a_100011215194_100000766640 [1,1,0,0,0,0|2,0,0]=4 592 B15R0.366 C=CCCCCCCCCOC(C)CCC 7a_100000764384_100011933949 [1,1,0,0,0,0|2,0,0]=4 593 B15R0.366 C=CCCCCCCCCOC(C)CCC 7a_100011215194_100000766640 [1,1,0,0,0,0|2,0,0]=4 594 B15R0.366 C=CCCCCCCCCSC(C)CCC 62a_100000766640_100011933949 [1,1,0,0,0,0|2,0,0]=4 595 B15R0.366 C=CCCCCCCCCSC(C)CCC 62a_100011933949_100000766640 [1,1,0,0,0,0|2,0,0]=4 596 B15R0.366 C=CCCCCCCCSCC(C)CCC 62a_100011216630_100012355270 [1,1,0,0,0,0|2,0,0]=4 597 B15R0.366 C=CCCCCCCCSCC(C)CCC 62a_100012355270_100011216630 [1,1,0,0,0,0|2,0,0]=4 598 B15R0.366 C=CC[C@@H](C)OCCCCCCCCCC 34a_100000731007_100000210320 [1,1,0,0,0,0|2,0,0]=4 599 B15R0.366 C=CC[C@@H](C)OCCCCCCCCCC 7a_100000731007_100000210320 [1,1,0,0,0,0|2,0,0]=4 600 B15R0.2002 C=CCCC(=O)CCCCCCCCCC 1458a_100000210375_100000754431 [1,1,0,0,0,0|1,0,1]=4 601 B15R0.2002 C=CCCC(=O)CCCCCCCCCC 1458a_100000749702_100000210319 [1,1,0,0,0,0|1,0,1]=4 602 B15R0.2002 C=CCCC(C)OCCCCCCCCC 34a_100000765329_100011214924 [1,1,0,0,0,0|2,0,0]=4 603 B15R0.2002 C=CCCC(C)OCCCCCCCCC 7a_100000765329_100000210328 [1,1,0,0,0,0|2,0,0]=4 604 B15R0.2002 C=CCCCCCCCCC(=O)CCCC 1458a_100000210183_100011933949 [1,1,0,0,0,0|1,0,1]=4 605 B15R0.2002 C=CCCCCCCCCC(=O)CCCC 1458a_100000211349_100000210211 [1,1,0,0,0,0|1,0,1]=4 606 B15R0.2002 C=CCCCCCCCOC(C)CCCC 34a_100000687866_100012355270 [1,1,0,0,0,0|2,0,0]=4 607 B15R0.2002 C=CCCCCCCCOC(C)CCCC 34a_100000730831_200011215066 [1,1,0,0,0,0|2,0,0]=4 608 B15R0.2002 C=CCCCCCCCOC(C)CCCC 7a_100000687866_100012355270 [1,1,0,0,0,0|2,0,0]=4 609 B15R0.2002 C=CCCCCCCCOC(C)CCCC 7a_100000730831_200011215066 [1,1,0,0,0,0|2,0,0]=4 610 B15R0.2002 C=CCCCCCCCSC(C)CCCC 62a_100012355270_200011215066 [1,1,0,0,0,0|2,0,0]=4 611 B15R0.2002 C=CCCCCCCCSC(C)CCCC 62a_200011215066_100012355270 [1,1,0,0,0,0|2,0,0]=4 612 B15R0.2002 C=CCOC(C)CCCCCCCCCC 34a_100011215000_100015514636 [1,1,0,0,0,0|2,0,0]=4 613 B15R0.2002 C=CCOC(C)CCCCCCCCCC 7a_100011215000_100015514636 [1,1,0,0,0,0|2,0,0]=4 614 B17R0.5891 CCCCCCCC(C)(C)SCCCCC(=O)C 62a_100000735457_200000046972 [0,2,0,0,0,0|2,0,0]=4 615 B17R0.5891 CCCCCCCC(C)(C)SCCCCC(=O)C 62a_200000046972_100000735457 [0,2,0,0,0,0|2,0,0]=4 616 B17R0.238 CCCCC(CC)CCCCSCCCC(=O)C 62a_100011215641_200012094884 [0,2,0,0,0,0|2,0,0]=4 617 B17R0.238 CCCCC(CC)CCCCSCCCC(=O)C 62a_200012094884_100011215641 [0,2,0,0,0,0|2,0,0]=4 618 B17R0.78 CCCCCCCC(C)SCCCCSC(=O)C 62a_200010402107_200011218727 [0,2,0,0,0,0|2,0,0]=4 619 B17R0.78 CCCCCCCC(C)SCCCCSC(=O)C 62a_200011218727_200010402107 [0,2,0,0,0,0|2,0,0]=4 620 B17R0.195 C#CC(=O)CCCCCCCCCCCCCC 1458a_100000211873_100011215471 [0,2,0,0,0,0|1,0,0]=3 621 B17R0.195 C=C(C#N)COCCCCCCCCCCCC 34a_100000210810_100000694840 [0,2,0,0,0,0|2,0,0]=4 622 B17R0.195 C=CC(=O)CCCCCCCCCCCCCC 1458a_100000185746_100011215471 [0,2,0,0,0,0|1,0,0]=3 623 B17R0.195 C=CC(O)CSCCCCCCCCCCCC 62a_100000730141_100000759014 [0,2,0,0,0,0|1,0,1]=4 624 B17R0.195 CCCCCCCCCCCCCCC(=O)CF 1458a_100000297455_100015361967 [0,2,0,0,0,0|1,0,0]=3 625 B17R0.195 CCCCCCCCCCCCCSC(C)CO 62a_100012180447_100011934334 [0,2,0,0,0,0|1,0,1]=4 626 B17R0.195 CCCCCCCCCCCCCS[C@H](C)CO 62a_100016084084_100011934334 [0,2,0,0,0,0|1,0,1]=4 627 B17R0.195 CCCCCCCCCCCCSCC(=O)CC 62a_100000747405_100000759014 [0,2,0,0,0,0|1,0,0]=3 628 B17R0.195 CCCCCCCCCCCCSCC(O)CC 62a_100011218378_100000759014 [0,2,0,0,0,0|1,0,1]=4 629 B17R0.195 CCCCCCCCCCCCSC[C@@H](C)CO 62a_100000059175_100000759014 [0,2,0,0,0,0|1,0,1]=4 630 B17R0.250 C#CCC(=O)CCCCCCCCCCCCC 1458a_100000756256_100000184674 [0,2,0,0,0,0|1,0,0]=3 631 B17R0.250 C#CCC(=O)CCCCCCCCCCCCC 1458a_100011220946_100000210684 [0,2,0,0,0,0|1,0,0]=3 632 B17R0.250 C=CCC(=O)CCCCCCCCCCCCC 1458a_100000210193_100000210684 [0,2,0,0,0,0|1,0,0]=3 633 B17R0.250 C=CCC(=O)CCCCCCCCCCCCC 1458a_100000756256_100000210623 [0,2,0,0,0,0|1,0,0]=3 634 B17R0.250 CC#CC(=O)CCCCCCCCCCCCC 1458a_100000763181_100000210684 [0,2,0,0,0,0|1,0,0]=3 635 B17R0.250 CC=CC(=O)CCCCCCCCCCCCC 1458a_100000210699_100000210684 [0,2,0,0,0,0|1,0,0]=3 636 B17R0.250 CCCCCCCCCCCCCC(=O)CC#N 1458a_100000756256_100011214920 [0,2,0,0,0,0|1,0,0]=3 637 B17R0.250 CCCCCCCCCCCCCC(=O)CC#N 1458a_100051588842_100000210684 [0,2,0,0,0,0|1,0,0]=3 638 B17R0.250 CCCCCCCCCCCCCC(=O)CCF 1458a_100000756256_100011217306 [0,2,0,0,0,0|1,0,0]=3 639 B17R0.250 CCCCCCCCCCCCCC(=O)CSC 1458a_100000184570_100000210684 [0,2,0,0,0,0|0,1,0]=3 640 B17R0.250 CCCCCCCCCCCSCC(=O)CCC 62a_100000747444_100011215454 [0,2,0,0,0,0|2,0,0]=4 641 B17R0.3112 C#CC(=O)C(C)CCCCCCCCCCCC 1458a_100000211873_200011217028 [0,2,0,0,0,0|1,0,0]=3 642 B17R0.3112 C=CC(=O)C(C)CCCCCCCCCCCC 1458a_100000185746_200011217028 [0,2,0,0,0,0|1,0,0]=3 643 B17R0.3112 CCCCCCCCCCCCC(C)C(=O)CC 1458a_100000210414_200011217028 [0,2,0,0,0,0|1,0,0]=3 644 B17R0.3112 CCCCCCCCCCCSC(C)C(=O)CC 62a_100000742827_100011215454 [0,2,0,0,0,0|2,0,0]=4 645 B17R0.14245 C=C(C)C(=O)CCCCCCCCCCCCC 1458a_100000185857_100000210684 [0,2,0,0,0,0|1,0,0]=3 646 B17R0.14245 C=C(C)C(C)NCCCCCCCCCCCC 269862a_100000210451_100011216138 [0,2,0,0,0,0|2,0,0]=4 647 B17R0.14245 CCCCCCCCCCCCCC(=O)C(C)C 1458a_100000210198_100000210684 [0,2,0,0,0,0|1,0,0]=3 648 B17R0.14245 CCCCCCCCCCCCCC(=O)C(C)C 1458a_100000756256_100000210206 [0,2,0,0,0,0|1,0,0]=3 649 B17R0.14245 CCCCCCCCCCCCCC(=O)C(C)F 1458a_100000062450_100000210684 [0,2,0,0,0,0|1,0,0]=3 650 B17R0.14245 CCCCCCCCCCCCSC(C)C(=O)C 62a_100009814033_100000759014 [0,2,0,0,0,0|1,0,0]=3 651 B17R0.14245 CCCCCCCCCCCSCC(=O)C(C)C 62a_100000753385_100011215454 [0,2,0,0,0,0|2,0,0]=4 652 B17R0.3218 CCCCCCCCCCCSC(C)(C)C(=O)C 62a_100000075568_100011215454 [0,2,0,0,0,0|2,0,0]=4 653 B17R0.38 C=C(C)CCOC(C)CCCCCCCCCC 34a_100011215000_100000730704 [0,2,0,0,0,0|2,0,0]=4 654 B17R0.38 C=C(C)CCOC(C)CCCCCCCCCC 7a_100011215000_100000730704 [0,2,0,0,0,0|2,0,0]=4 655 B17R0.43 C=C(C)CCNCCCCCCCCCCCC 2230a_100000210451_100000730704 [0,2,0,0,0,0|2,0,0]=4 656 B17R0.43 C=C(C)CCNCCCCCCCCCCCC 34a_100000210451_100000730704 [0,2,0,0,0,0|2,0,0]=4 657 B17R0.43 C=C(C)CCOCCCCCCCCCCCBr 34a_100009812471_100000730704 [0,2,0,0,0,0|2,0,0]=4 658 B17R0.43 C=C(C)CCOCCCCCCCCCCCBr 7a_100009812471_100000730704 [0,2,0,0,0,0|2,0,0]=4 659 B17R0.43 C=C(C)CCOCCCCCCCCCCCC 34a_100000210810_100000730704 [0,2,0,0,0,0|2,0,0]=4 660 B17R0.43 C=C(C)CCOCCCCCCCCCCCC 34a_100000764851_100000759014 [0,2,0,0,0,0|2,0,0]=4 661 B17R0.43 C=C(C)CCOCCCCCCCCCCCC 7a_100000210810_100000730704 [0,2,0,0,0,0|2,0,0]=4 662 B17R0.43 C=C(C)CCSCCCCCCCCCCCO 62a_100009812471_100000730704 [0,2,0,0,0,0|2,0,0]=4 663 B17R0.43 C=C(C)CNCCCCCCCCCCCCC 2230a_100011215765_100000748629 [0,2,0,0,0,0|2,0,0]=4 664 B17R0.43 C=C(C)CNCCCCCCCCCCCCC 34a_100011215765_100000748629 [0,2,0,0,0,0|2,0,0]=4 665 B17R0.43 C=C(C)COCCCCCCCCCCCCBr 34a_100009813331_100000748629 [0,2,0,0,0,0|2,0,0]=4 666 B17R0.43 C=C(C)COCCCCCCCCCCCCBr 7a_100009813331_100000748629 [0,2,0,0,0,0|2,0,0]=4 667 B17R0.43 C=C(C)COCCCCCCCCCCCCC 34a_100000185773_100000748629 [0,2,0,0,0,0|2,0,0]=4 668 B17R0.43 C=C(C)COCCCCCCCCCCCCC 34a_100000210245_100000210684 [0,2,0,0,0,0|2,0,0]=4 669 B17R0.43 C=C(C)COCCCCCCCCCCCCC 7a_100000185773_100000748629 [0,2,0,0,0,0|2,0,0]=4 670 B17R0.43 C=C(C)COCCSCCCCCCCCCC 34a_100011628728_100000748629 [0,2,0,0,0,0|2,0,0]=4 671 B17R0.43 C=C(C)COCCSCCCCCCCCCC 7a_100011628728_100000748629 [0,2,0,0,0,0|2,0,0]=4 672 B17R0.43 C=C(C)CSCCCCCCCCCCCCO 62a_100009813331_100000211660 [0,2,0,0,0,0|2,0,0]=4 673 B17R0.43 C=C(F)CNCCCCCCCCCCCCC 2230a_100011215765_100009893438 [0,2,0,0,0,0|2,0,0]=4 674 B17R0.43 C=C(F)CNCCCCCCCCCCCCC 34a_100011215765_100009893438 [0,2,0,0,0,0|2,0,0]=4 675 B17R0.43 C=C(F)COCCCCCCCCCCCCBr 34a_100009813331_100009893438 [0,2,0,0,0,0|2,0,0]=4 676 B17R0.43 C=C(F)COCCCCCCCCCCCCBr 7a_100009813331_100000042424 [0,2,0,0,0,0|2,0,0]=4 677 B17R0.43 C=C(F)COCCCCCCCCCCCCC 34a_100000185773_100009893438 [0,2,0,0,0,0|2,0,0]=4 678 B17R0.43 C=C(F)COCCCCCCCCCCCCC 34a_200010262243_100000210684 [0,2,0,0,0,0|2,0,0]=4 679 B17R0.43 C=C(F)COCCCCCCCCCCCCC 7a_100000185773_100000042424 [0,2,0,0,0,0|2,0,0]=4 680 B17R0.43 C=C(F)COCCSCCCCCCCCCC 34a_100011628728_100009893438 [0,2,0,0,0,0|2,0,0]=4 681 B17R0.43 C=C(F)COCCSCCCCCCCCCC 7a_100011628728_100000042424 [0,2,0,0,0,0|2,0,0]=4 682 B17R0.43 C=C(F)CSCCCCCCCCCCCCO 62a_100009813331_100000042424 [0,2,0,0,0,0|2,0,0]=4 683 B17R0.43 C=CCCCCCCCCCCCCCC(=O)C 1458a_100000070787_102495333938 [0,2,0,0,0,0|1,0,0]=3 684 B17R0.43 C=CCCCCCCCCCCSCCC(=O)C 62a_100000053229_100011093070 [0,2,0,0,0,0|1,0,1]=4 685 B17R0.43 C=CCCCCCCCCCCSCCC(=O)C 62a_100011093070_100000053229 [0,2,0,0,0,0|1,0,1]=4 686 B17R0.43 C=CCCCCCCCCCSCCCC(=O)C 62a_100009814027_100011215641 [0,2,0,0,0,0|1,0,1]=4 687 B17R0.43 C=CCCCCCCCCCSCCCC(=O)C 62a_100011215641_100009814027 [0,2,0,0,0,0|1,0,1]=4 688 B17R0.43 C=CCCCCCCCCSCCCCC(=O)C 62a_100000735457_100011933949 [0,2,0,0,0,0|1,0,1]=4 689 B17R0.43 C=CCCCCCCCCSCCCCC(=O)C 62a_100011933949_100000735457 [0,2,0,0,0,0|1,0,1]=4 690 B17R0.43 CC(=O)SCCCCCCCCCCCSCF 62a_100010140907_100015361967 [0,2,0,0,0,0|2,0,0]=4 691 B17R0.43 CC(=O)SCCCCCCCCCCCSCF 62a_100015361967_100010140907 [0,2,0,0,0,0|2,0,0]=4 692 B17R0.43 CCCCCC/C=C\CCCCCCCC(=O)C 1458a_100020587579_200000210301 [0,2,0,0,0,0|1,0,0]=3 693 B17R0.43 CCCCCC/C=C\CCCCCCCC(=O)[13CH3] 1458a_100020587579_200025704644 [0,2,0,0,0,0|1,0,0]=3 694 B17R0.43 CCCCCCCCCCCCCSCC(C)O 62a_100011218427_100011934334 [0,2,0,0,0,0|1,0,1]=4 695 B17R0.43 CCCCCCCCCCCCCSC[C@@H](C)O 62a_100009817552_100011934334 [0,2,0,0,0,0|1,0,1]=4 696 B17R0.43 CCCCCCCCCCCCNCC=C(C)C 2230a_100000210451_100000761012 [0,2,0,0,0,0|2,0,0]=4 697 B17R0.43 CCCCCCCCCCCCNCC=C(C)C 270004a_100000718196_100011218549 [0,2,0,0,0,0|2,0,0]=4 698 B17R0.43 CCCCCCCCCCCCNCC=C(C)C 34a_100000210451_100000761012 [0,2,0,0,0,0|2,0,0]=4 699 B17R0.43 CCCCCCCCCCCCNCC=C(C)C 34a_100000718196_100000759014 [0,2,0,0,0,0|2,0,0]=4 700 B17R0.43 CCCCCCCCCCCCOCC=C(C)C 34a_100000210810_100000761012 [0,2,0,0,0,0|2,0,0]=4 701 B17R0.43 CCCCCCCCCCCCOCC=C(C)C 34a_100000753907_100000759014 [0,2,0,0,0,0|2,0,0]=4 702 B17R0.43 CCCCCCCCCCCCOCC=C(C)C 7a_100000210810_100000761012 [0,2,0,0,0,0|2,0,0]=4 703 B17R0.43 CCCCCCCCCCCCSCCC(=O)C 1458a_100008107568_200000210301 [0,2,0,0,0,0|1,0,0]=3 704 B17R0.43 CCCCCCCCCCCCSCCC(=O)C 62a_100000053229_100000759014 [0,2,0,0,0,0|1,0,0]=3 705 B17R0.43 CCCCCCCCCCCCSCCC(=O)[13CH3] 1458a_100008107568_200025704644 [0,2,0,0,0,0|1,0,0]=3 706 B17R0.43 CCCCCCCCCCCCSCCC(C)O 62a_100012276601_100000759014 [0,2,0,0,0,0|1,0,1]=4 707 B17R0.43 CCCCCCCCCCCCSCOC(=O)C 62a_100000076356_100000759014 [0,2,0,0,0,0|1,0,0]=3 708 B17R0.43 CCCCCCCCCCCNCCC=C(C)C 2230a_200011215754_100011217483 [0,2,0,0,0,0|2,0,0]=4 709 B17R0.43 CCCCCCCCCCCNCCC=C(C)C 34a_200011215754_100011217483 [0,2,0,0,0,0|2,0,0]=4 710 B17R0.43 CCCCCCCCCCCNCCC=C(F)F 2230a_200011215754_200009816681 [0,2,0,0,0,0|2,0,0]=4 711 B17R0.43 CCCCCCCCCCCNCCC=C(F)F 34a_200011215754_200009816681 [0,2,0,0,0,0|2,0,0]=4 712 B17R0.43 CCCCCCCCCCCOCCC=C(C)C 34a_100000210809_100011217483 [0,2,0,0,0,0|2,0,0]=4 713 B17R0.43 CCCCCCCCCCCOCCC=C(C)C 7a_100000210809_100011217483 [0,2,0,0,0,0|2,0,0]=4 714 B17R0.43 CCCCCCCCCCCOCCC=C(F)F 34a_100000210809_200009816681 [0,2,0,0,0,0|2,0,0]=4 715 B17R0.43 CCCCCCCCCCCOCCC=C(F)F 7a_100000210809_200009816681 [0,2,0,0,0,0|2,0,0]=4 716 B17R0.43 CCCCCCCCCCCSCCCC(=O)C 62a_100011215641_100011215454 [0,2,0,0,0,0|1,0,0]=3 717 B17R0.43 CCCCCCCCCCCSCCCC(C)O 62a_200000718107_100011215454 [0,2,0,0,0,0|1,0,1]=4 718 B17R0.43 CCCCCCCCCCSCCCCC(=O)C 62a_100000735457_100000210320 [0,2,0,0,0,0|1,0,0]=3 719 B17R0.43 CCCCCCCCCCSCCCOC(=S)C 62a_200135323944_100000210320 [0,2,0,0,0,0|1,1,0]=4 720 B17R0.43 CCCCCCCCCCSCCCSC(=O)C 62a_100000038929_100000210320 [0,2,0,0,0,0|1,0,0]=3 721 B17R0.43 CCCCCCCCCSCCCCSC(=O)C 62a_200010402107_100000210670 [0,2,0,0,0,0|1,0,0]=3 722 B17R0.43 CCSCCCCCCCCCCCSC(=O)C 62a_100000210202_100010140907 [0,2,0,0,0,0|1,0,0]=3 723 B17R0.43 CCSCCCCCCCCCCCSC(=O)C 62a_100010140907_100000210202 [0,2,0,0,0,0|1,0,0]=3 724 B17R0.116 C=C(C)CC(=O)CCCCCCCCCCCC 1458a_100011215791_100000748629 [0,2,0,0,0,0|2,0,0]=4 725 B17R0.116 C=C(C)CN(C)CCCCCCCCCCCC 2230a_100000225649_100011215052 [0,2,0,0,0,0|2,0,0]=4 726 B17R0.116 C=C(C)CN(C)CCCCCCCCCCCC 2230a_100000227908_100000748629 [0,2,0,0,0,0|2,0,0]=4 727 B17R0.116 C=C(C)CN(C)CCCCCCCCCCCC 269982a_100000225649_100000759014 [0,2,0,0,0,0|2,0,0]=4 728 B17R0.116 C=C(C)CN(C)CCCCCCCCCCCC 269982a_100000227908_100000748629 [0,2,0,0,0,0|2,0,0]=4 729 B17R0.116 C=C(C)CN(C)CCCCCCCCCCCC 270004a_100000225649_100011218549 [0,2,0,0,0,0|2,0,0]=4 730 B17R0.116 C=C(F)CC(=O)CCCCCCCCCCCC 1458a_100011215791_100009893438 [0,2,0,0,0,0|2,0,0]=4 731 B17R0.116 C=C(F)CN(C)CCCCCCCCCCCC 2230a_100000227908_100009893438 [0,2,0,0,0,0|2,0,0]=4 732 B17R0.116 C=C(F)CN(C)CCCCCCCCCCCC 269982a_100000227908_100009893438 [0,2,0,0,0,0|2,0,0]=4 733 B17R0.116 CCCCCCCCCCCSC(C)OC(=O)C 62a_100009818208_100011215454 [0,2,0,0,0,0|2,0,0]=4 734 B17R0.192 C=C(C)CCC(=O)CCCCCCCCCCC 1458a_100000210736_100000730704 [0,2,0,0,0,0|2,0,0]=4 735 B17R0.192 C=C(C)CCC(=O)CCCCCCCCCCC 1458a_200000688413_100011215454 [0,2,0,0,0,0|2,0,0]=4 736 B17R0.192 C=C(C)CCC(C)NCCCCCCCCCC 270004a_100000684558_100011215600 [0,2,0,0,0,0|2,0,0]=4 737 B17R0.192 C=C(C)COC(C)CCCCCCCCCCC 34a_100011217895_100000748629 [0,2,0,0,0,0|2,0,0]=4 738 B17R0.192 C=C(C)COC(C)CCCCCCCCCCC 7a_100011217895_100000748629 [0,2,0,0,0,0|2,0,0]=4 739 B17R0.192 C=C(F)COC(C)CCCCCCCCCCC 34a_100011217895_100009893438 [0,2,0,0,0,0|2,0,0]=4 740 B17R0.192 C=C(F)COC(C)CCCCCCCCCCC 7a_100011217895_100000042424 [0,2,0,0,0,0|2,0,0]=4 741 B17R0.192 CCCCCCCCCSCC(C)CSC(=O)C 62a_200000116872_100000210670 [0,2,0,0,0,0|2,0,0]=4 742 B17R0.197 CCCCCCCCCCCCSCC(C)(C)O 62a_100000764493_100000759014 [0,2,0,0,0,0|1,0,1]=4 743 B17R0.197 CCCCCCCCCCCSCCC(C)(C)O 62a_100000702414_100011215454 [0,2,0,0,0,0|1,0,1]=4 744 B17R0.197 CCCCCCCCCCSCCCC(C)(C)O 62a_100009888830_100000210320 [0,2,0,0,0,0|1,0,1]=4 745 B17R0.197 CCCCCCCCSCCCCCC(C)(C)O 62a_100000210759_100010402123 [0,2,0,0,0,0|1,0,1]=4 746 B17R0.197 CCCCCCCCSCCCCCC(C)(C)O 62a_100010402123_100000210317 [0,2,0,0,0,0|1,0,1]=4 747 B17R0.1598 CC(=O)CCCCSCCC(C)CCCC(C)C 62a_100000735457_100009816328 [0,2,0,0,0,0|2,0,0]=4 748 B17R0.1598 CC(=O)CCCCSCCC(C)CCCC(C)C 62a_100009816328_100000735457 [0,2,0,0,0,0|2,0,0]=4 749 B17R0.1620 CC(=O)CCCCCCCCCCCC(F)(F)F 1458a_100000070787_200044909058 [0,2,0,0,0,0|2,0,0]=4 750 B15R1.35 C=CCCCCCCSC1CCCCC1 62a_100000210327_100011215473 [1,0,0,1,0,0|2,0,0]=4 751 B15R1.35 C=CCCCCCCSC1CCCCC1 62a_100011215473_100000210327 [1,0,0,1,0,0|2,0,0]=4 752 B15R1.35 C=CCCCCCSCC1CCCCC1 62a_100000211423_100000700193 [1,0,0,1,0,0|2,0,0]=4 753 B15R1.35 C=CCCCCCSCC1CCCCC1 62a_100000700193_100000211423 [1,0,0,1,0,0|2,0,0]=4 754 B15R1.35 C=CCCCCSCCC1CCCCC1 62a_100011215482_100012355289 [1,0,0,1,0,0|2,0,0]=4 755 B15R1.35 C=CCCCCSCCC1CCCCC1 62a_100012355289_100011215482 [1,0,0,1,0,0|2,0,0]=4 756 B15R1.35 C=CCCCSCCCC1CCCCC1 62a_100011713584_100011713725 [1,0,0,1,0,0|2,0,0]=4 757 B15R1.35 C=CCCCSCCCC1CCCCC1 62a_100011713725_100000757094 [1,0,0,1,0,0|2,0,0]=4 758 B15R1.35 CCCCCCCCSC1C=CCCC1 62a_100000210759_100000751183 [1,0,0,1,0,0|2,0,0]=4 759 B15R1.35 CCCCCCCCSC1C=CCCC1 62a_100000751183_100000210317 [1,0,0,1,0,0|2,0,0]=4 760 B15R1.229 C=CCCCCCCCCSC1CCC1 62a_100011933949_100000749161 [1,0,0,1,0,0|2,0,0]=4 761 B15R1.229 C=CCCCCCCCSCC1CCC1 62a_100000763275_100012355270 [1,0,0,1,0,0|2,0,0]=4 762 B15R1.229 C=CCCCCCCCSCC1CCC1 62a_100012355270_100000763275 [1,0,0,1,0,0|2,0,0]=4 763 B15R1.528 C=CCCCCCCCSC1CCCC1 62a_100011217020_100012355270 [1,0,0,1,0,0|2,0,0]=4 764 B15R1.528 C=CCCCCCCCSC1CCCC1 62a_100012355270_100000179811 [1,0,0,1,0,0|2,0,0]=4 765 B15R1.528 C=CCCCCCCSCC1CCCC1 62a_100000740388_100011215473 [1,0,0,1,0,0|2,0,0]=4 766 B15R1.528 C=CCCCCCCSCC1CCCC1 62a_100011215473_100000740388 [1,0,0,1,0,0|2,0,0]=4 767 B15R1.528 C=CCCCCCSCCC1CCCC1 62a_100000700193_100000760354 [1,0,0,1,0,0|2,0,0]=4 768 B15R1.528 C=CCCCCCSCCC1CCCC1 62a_100000760354_100000700193 [1,0,0,1,0,0|2,0,0]=4 769 B15R1.528 C=CCCCCSCCCC1CCCC1 62a_100011215482_100011713738 [1,0,0,1,0,0|2,0,0]=4 770 B15R1.528 C=CCCCCSCCCC1CCCC1 62a_100011713738_100011215482 [1,0,0,1,0,0|2,0,0]=4 771 B15R1.6328 C=CCCCCCSC1CCCCCC1 62a_100000700193_100011217769 [1,0,0,1,0,0|2,0,0]=4 772 B15R1.6328 C=CCCCCCSC1CCCCCC1 62a_100011217769_100000700193 [1,0,0,1,0,0|2,0,0]=4 773 B15R1.6328 C=CCCCCSCC1CCCCCC1 62a_100011215482_200000696569 [1,0,0,1,0,0|2,0,0]=4 774 B15R1.6328 C=CCCCCSCC1CCCCCC1 62a_200000696569_100011215482 [1,0,0,1,0,0|2,0,0]=4 775 B15R1.9199 C=CCCCCCCCCCSC1CC1 62a_100009814027_100000211595 [1,0,0,1,0,0|2,0,0]=4 776 B15R1.9199 C=CCCCCCCCCSCC1CC1 62a_100000756562_100011933949 [1,0,0,1,0,0|2,0,0]=4 777 B15R1.9199 C=CCCCCCCCCSCC1CC1 62a_100011933949_100000742324 [1,0,0,1,0,0|2,0,0]=4 778 B15R1.9199 C=CCCCCCCCSCCC1CC1 62a_100000764125_100012355270 [1,0,0,1,0,0|2,0,0]=4 779 B15R1.9199 C=CCCCCCCCSCCC1CC1 62a_100012355270_100000764125 [1,0,0,1,0,0|2,0,0]=4 780 B17R1.27002 COC1CCCCCCCCCCCCCC1 34a_200000037640_200000210301 [0,1,0,1,0,0|1,0,1]=4 781 B17R1.27002 COC1CCCCCCCCCCCCCC1 7a_200000037640_200000210301 [0,1,0,1,0,0|1,0,1]=4 782 B17R1.27002 [13CH3]OC1CCCCCCCCCCCCCC1 34a_200000037640_200025704644 [0,1,0,1,0,0|1,0,1]=4 783 B17R1.27002 [13CH3]OC1CCCCCCCCCCCCCC1 7a_200000037640_200025704644 [0,1,0,1,0,0|1,0,1]=4 784 B17R1.716 CCCCCCCCCOC1C=C(CCC1)C 34a_100011218613_100011214924 [0,1,0,1,0,0|2,0,0]=4 785 B17R1.4140 C=C1CC(C1)COCCCCCCCCCC 34a_100011011225_100000210320 [0,1,0,1,0,0|2,0,0]=4 786 B17R1.16233 C=C(C)COC1CCCCCCCCCCC1 34a_100000211378_100000748629 [0,1,0,1,0,0|2,0,0]=4 787 B17R1.16233 C=C(C)COC1CCCCCCCCCCC1 7a_100000211378_100000748629 [0,1,0,1,0,0|2,0,0]=4 788 B17R1.16233 C=C(F)COC1CCCCCCCCCCC1 34a_100000211378_100009893438 [0,1,0,1,0,0|2,0,0]=4 789 B17R1.16233 C=C(F)COC1CCCCCCCCCCC1 7a_100000211378_100000042424 [0,1,0,1,0,0|2,0,0]=4 790 B17R1.29093 CCCCCCCCCCCCSCC1CO1 62a_102125554688_100000759014 [0,1,0,1,0,0|1,0,1]=4 791 B17R1.29093 CCCCCCCCCCCCSC[C@@H]1CO1 62a_100000745022_100000759014 [0,1,0,1,0,0|1,0,1]=4 792 B17R1.29093 CCCCCCCCCCCSCCC1CO1 62a_100000732470_100011215454 [0,1,0,1,0,0|1,0,1]=4 793 B17R1.29093 CCCCCCCCCCSCCCC1CO1 62a_100000733510_100000210320 [0,1,0,1,0,0|1,0,1]=4