0 B17R0.43 CCCCCC/C=C/COCCCCCC(C)C 34a_200016276170_100000210682 [0,0,0,0,0,0|3,0,1]=4 1 B17R0.43 CCCCCC/C=C/COCCCCCC(C)C 7a_200016276170_100000210682 [0,0,0,0,0,0|3,0,1]=4 2 B17R0.43 CCCCCC/C=C\CCCCCCCC(=O)C 1458a_100020587579_200000210301 [0,0,0,0,0,0|1,0,0]=1 3 B17R0.43 CCCCCC/C=C\CCCCCCCC(=O)[13CH3] 1458a_100020587579_200025704644 [0,0,0,0,0,0|1,0,0]=1 4 B17R0.43 CCCCCCCCCCCCSCCC(=O)C 1458a_100008107568_200000210301 [0,0,0,0,0,0|2,0,2]=4 5 B17R0.43 CCCCCCCCCCCCSCCC(=O)C 62a_100000053229_100000759014 [0,0,0,0,0,0|2,0,2]=4 6 B17R0.43 CCCCCCCCCCCCSCCC(=O)[13CH3] 1458a_100008107568_200025704644 [0,0,0,0,0,0|2,0,2]=4 7 B17R0.43 CCCCCCCCCCCSCCCC(=O)C 62a_100011215641_100011215454 [0,0,0,0,0,0|2,0,2]=4 8 B17R0.43 CCCCCCCCCCSCCCCC(=O)C 62a_100000735457_100000210320 [0,0,0,0,0,0|2,0,2]=4 9 B16R0.274 CCCCCCCCCCCCCCC(=O)C 1458a_100000070787_100011215471 [1,0,0,0,0,0|1,0,1]=3 10 B16R0.274 CCCCCCCCCCCCCCC(=O)C 1458a_100000297455_200000210301 [1,0,0,0,0,0|1,0,1]=3 11 B16R0.274 CCCCCCCCCCCCCCC(=O)[13CH3] 1458a_100000297455_200025704644 [1,0,0,0,0,0|1,0,1]=3 12 B16R0.274 CCCCCCCCCCCSCCC(=O)C 62a_100000053229_100011215454 [1,0,0,0,0,0|2,0,1]=4 13 B16R0.274 CCCCCCCCCCSCCCC(=O)C 62a_100011215641_100000210320 [1,0,0,0,0,0|2,0,1]=4 14 B16R0.274 CCCCCCCCCSCCCCC(=O)C 62a_100000735457_100000210670 [1,0,0,0,0,0|2,0,1]=4 15 B16R0.303 C=CCCCCCCCCNCCCCCC 2230a_100000210581_100011933949 [1,0,0,0,0,0|2,0,1]=4 16 B16R0.303 C=CCCCCCCCCOCCCCCC 34a_100000210259_100011933949 [1,0,0,0,0,0|2,0,1]=4 17 B16R0.303 C=CCCCCCCCCOCCCCCC 34a_100011215194_100000210314 [1,0,0,0,0,0|2,0,1]=4 18 B16R0.303 C=CCCCCCCCCOCCCCCC 7a_100000210259_100011933949 [1,0,0,0,0,0|2,0,1]=4 19 B16R0.303 C=CCCCCCCCCOCCCCCC 7a_100011215194_100000210314 [1,0,0,0,0,0|2,0,1]=4 20 B16R0.303 C=CCCCCCCCNCCCCCCC 2230a_100000229938_100012355270 [1,0,0,0,0,0|2,0,1]=4 21 B16R0.303 C=CCCCCCCCOCCCCCCC 34a_100000210272_100012355270 [1,0,0,0,0,0|2,0,1]=4 22 B16R0.303 C=CCCCCCCCOCCCCCCC 34a_100000730831_100000210614 [1,0,0,0,0,0|2,0,1]=4 23 B16R0.303 C=CCCCCCCCOCCCCCCC 7a_100000210272_100012355270 [1,0,0,0,0,0|2,0,1]=4 24 B16R0.303 C=CCCCCCCCOCCCCCCC 7a_100000730831_100000210614 [1,0,0,0,0,0|2,0,1]=4 25 B16R0.303 C=CCCCCCOC/C=C/CCCCCC 34a_200016276170_100000700193 [1,0,0,0,0,0|2,0,0]=3 26 B16R0.303 C=CCCCCCOC/C=C/CCCCCC 7a_200016276170_100000700193 [1,0,0,0,0,0|2,0,0]=3 27 B16R0.303 CCCCCC/C=C/COCCCCCCC 34a_200016276170_100000210614 [1,0,0,0,0,0|2,0,1]=4 28 B16R0.303 CCCCCC/C=C/COCCCCCCC 7a_200016276170_100000210614 [1,0,0,0,0,0|2,0,1]=4 29 B16R0.303 CCCCCC/C=C/COCCCCCCF 34a_200016276170_100015922095 [1,0,0,0,0,0|2,0,1]=4 30 B16R0.303 CCCCCC/C=C/COCCCCCCF 7a_200016276170_100015922095 [1,0,0,0,0,0|2,0,1]=4 31 B16R0.303 CCCCCCCCC/C=C/COCCCC 34a_100015232335_100000210210 [1,0,0,0,0,0|2,0,1]=4 32 B16R0.303 CCCCCCCCC/C=C/COCCCC 7a_100015232335_100000210211 [1,0,0,0,0,0|2,0,1]=4 33 B16R0.303 CCCCCCCCCCCCCSCC=O 62a_200015260668_100011934334 [1,0,0,0,0,0|1,0,2]=4 34 B16R0.303 CCCCCCCCCCCSCCCC=O 62a_200011292268_100011215454 [1,0,0,0,0,0|1,0,2]=4 35 B16R0.303 CCCCCCCCCCSCCCCC=O 62a_100000139335_100000210320 [1,0,0,0,0,0|1,0,2]=4 36 B16R0.303 CCCCCCCCCSCCCCCC=O 62a_100000139337_100000210670 [1,0,0,0,0,0|1,0,2]=4 37 B16R0.303 CCCCCCCSCCCCCCCCO 62a_100000033203_100000210316 [1,0,0,0,0,0|1,0,2]=4 38 B16R0.303 CCCCCCCSCCCCCCCCO 62a_100000210614_100000033203 [1,0,0,0,0,0|1,0,2]=4 39 B16R0.303 CCCCCCSCCCCCCCCCO 62a_100000210314_100009813782 [1,0,0,0,0,0|1,0,2]=4 40 B16R0.303 CCCCCCSCCCCCCCCCO 62a_100009813782_100000210757 [1,0,0,0,0,0|1,0,2]=4 41 B18R0.171 C#CC(=O)CCCCCCCCCCCCCCC 1458a_100000211873_100000210322 [0,1,0,0,0,0|1,0,2]=4 42 B18R0.171 CCCCCC/C=C\CCCCCCCC(=O)CF 1458a_100020587579_100015361967 [0,1,0,0,0,0|1,0,0]=2 43 B18R0.171 CCCCCCCCCCCCCCCC(=O)NC 11a_106832991635_100000610636 [0,1,0,0,0,0|1,0,2]=4 44 B18R0.171 CCCCCCCCCCCCCCCC(=O)NC 1626a_100102657272_100000610636 [0,1,0,0,0,0|1,0,2]=4 45 B18R0.171 CCCCCCCCCCCCCCCC(=O)NC 240690a_100102657272_100000610636 [0,1,0,0,0,0|1,0,2]=4 46 B18R0.171 CCCCCCCCCCCCCSCC(=O)OC 62a_100000747449_100011934334 [0,1,0,0,0,0|1,0,2]=4 47 B18R0.171 CCCCCCCCCCCCSCCC(=O)OC 62a_100000204255_100000759014 [0,1,0,0,0,0|1,0,2]=4 48 B18R0.171 CCCCCCCCCCCSCCCC(=O)OC 62a_100011218270_100011215454 [0,1,0,0,0,0|1,0,2]=4 49 B18R0.171 CCCCCCCCCCSCCCCC(=O)OC 62a_100000204269_100000210320 [0,1,0,0,0,0|1,0,2]=4 50 B18R0.171 CCCCCCCCCSCCCCCC(=O)OC 62a_100009816466_100000210670 [0,1,0,0,0,0|1,0,2]=4 51 B18R0.171 CCCCCCCCSCCCCCCC(=O)OC 62a_100000210759_100009815986 [0,1,0,0,0,0|1,0,2]=4 52 B18R0.171 CCCCCCCCSCCCCCCC(=O)OC 62a_100009815986_100000210317 [0,1,0,0,0,0|1,0,2]=4 53 B18R0.171 CCCCCCCSCCCCCCCC(=O)OC 62a_100000210614_100010004213 [0,1,0,0,0,0|1,0,1]=3 54 B18R0.171 CCCCCCCSCCCCCCCC(=O)OC 62a_100010004213_100000210316 [0,1,0,0,0,0|1,0,1]=3 55 B18R0.171 CCCCCCSCCCCCCCCC(=O)OC 62a_100000210314_100010282707 [0,1,0,0,0,0|1,0,1]=3 56 B18R0.171 CCCCCCSCCCCCCCCC(=O)OC 62a_100010282707_100000210757 [0,1,0,0,0,0|1,0,1]=3 57 B18R0.171 CCCCCSCCCCCCCCCC(=O)OC 62a_100000210326_100009813843 [0,1,0,0,0,0|1,0,2]=4 58 B18R0.171 CCCCSCCCCCCCCCCC(=O)OC 62a_100000210211_100009812566 [0,1,0,0,0,0|1,0,2]=4 59 B18R0.171 CCCSCCCCCCCCCCCC(=O)OC 62a_100000210303_100010983606 [0,1,0,0,0,0|1,0,2]=4 60 B18R0.171 CCSCCCCCCCCCCCCC(=O)OC 62a_100000210202_209314222159 [0,1,0,0,0,0|1,0,2]=4 61 B18R0.176 CCCCCCCCCCCCCCCNC(=O)C 11a_200000297553_100015343762 [0,1,0,0,0,0|1,0,2]=4 62 B18R0.176 CCCCCCCCCCCCCCCNC(=O)C 1626a_200000297553_100015343762 [0,1,0,0,0,0|1,0,2]=4 63 B18R0.176 CCCCCCCCCCCCCCCNC(=O)C 240690a_200000297553_100015343762 [0,1,0,0,0,0|1,0,2]=4 64 B18R0.176 CCCCCCCCCCCCCCCNC(=O)C 527a_200000297553_100103153847 [0,1,0,0,0,0|1,0,2]=4 65 B15R0.70 C=CCCCCCCCOCCCCCC 34a_100000210259_100012355270 [2,0,0,0,0,0|2,0,0]=4 66 B15R0.70 C=CCCCCCCCOCCCCCC 34a_100000730831_100000210314 [2,0,0,0,0,0|2,0,0]=4 67 B15R0.70 C=CCCCCCCCOCCCCCC 7a_100000210259_100012355270 [2,0,0,0,0,0|2,0,0]=4 68 B15R0.70 C=CCCCCCCCOCCCCCC 7a_100000730831_100000210314 [2,0,0,0,0,0|2,0,0]=4 69 B15R0.70 C=CCCCCCCCSCCCCCC 62a_100000210314_100012355270 [2,0,0,0,0,0|2,0,0]=4 70 B15R0.70 C=CCCCCCCCSCCCCCC 62a_100012355270_100000210757 [2,0,0,0,0,0|2,0,0]=4 71 B15R0.70 CCCCCC/C=C/COCCCCCC 34a_200016276170_100000210314 [2,0,0,0,0,0|1,0,1]=4 72 B15R0.70 CCCCCC/C=C/COCCCCCC 7a_200016276170_100000210314 [2,0,0,0,0,0|1,0,1]=4 73 B15R0.70 CCCCCCCC/C=C/COCCCC 34a_200020667288_100000210210 [2,0,0,0,0,0|1,0,1]=4 74 B15R0.70 CCCCCCCC/C=C/COCCCC 7a_200020667288_100000210211 [2,0,0,0,0,0|1,0,1]=4 75 B15R0.164 CCCCCCCCCCCCCC(=O)C 1458a_100000070787_100000210684 [2,0,0,0,0,0|1,0,0]=3 76 B15R0.164 CCCCCCCCCCCCCC(=O)C 1458a_100000756256_200000210301 [2,0,0,0,0,0|1,0,0]=3 77 B15R0.164 CCCCCCCCCCCCCC(=O)[13CH3] 1458a_100000756256_200025704644 [2,0,0,0,0,0|1,0,0]=3 78 B17R0.195 C#CC(=O)CCCCCCCCCCCCCC 1458a_100000211873_100011215471 [1,1,0,0,0,0|1,0,1]=4 79 B17R0.195 C=CC(=O)CCCCCCCCCCCCCC 1458a_100000185746_100011215471 [1,1,0,0,0,0|1,0,1]=4 80 B17R0.195 CCCCCCCCCCCCCCC(=O)CF 1458a_100000297455_100015361967 [1,1,0,0,0,0|1,0,1]=4 81 B17R0.104 C=CCCCCCCC(=O)C=CCCCCCC 1458a_200015324643_100011215473 [1,1,0,0,0,0|1,0,1]=4 82 B17R0.117 C#CCCCCCCOC/C=C/CCCCCC 34a_200016276170_100012276617 [1,1,0,0,0,0|1,0,1]=4 83 B17R0.117 C#CCCCCCCOC/C=C/CCCCCC 7a_200016276170_100012276617 [1,1,0,0,0,0|1,0,1]=4 84 B17R0.117 C=CCCCCCCOC/C=C/CCCCCC 34a_200016276170_100011215473 [1,1,0,0,0,0|1,0,0]=3 85 B17R0.117 C=CCCCCCCOC/C=C/CCCCCC 7a_200016276170_100011215473 [1,1,0,0,0,0|1,0,0]=3 86 B17R0.117 CCCCCC/C=C/COCCCCCCC#N 7a_200016276170_100009813337 [1,1,0,0,0,0|1,0,1]=4 87 B17R0.117 CCCCCC/C=C/COCCCCCCCC 34a_200016276170_100000210759 [1,1,0,0,0,0|1,0,1]=4 88 B17R0.117 CCCCCC/C=C/COCCCCCCCC 7a_200016276170_100000210759 [1,1,0,0,0,0|1,0,1]=4 89 B17R0.117 CCCCCCCCC/C=C/COCCCCC 34a_100015232335_100000718602 [1,1,0,0,0,0|1,0,1]=4 90 B17R0.117 CCCCCCCCC/C=C/COCCCCC 7a_100015232335_100000210326 [1,1,0,0,0,0|1,0,1]=4 91 B17R0.196 C=CCNC(C)CCCC/C=C\CCCCCC 270004a_100020586998_100020676974 [1,1,0,0,0,0|2,0,0]=4 92 B17R0.8809 C=CCCCCCC(=O)C/C=C/CCCCCC 1458a_100020681715_100000700193 [1,1,0,0,0,0|1,0,1]=4 93 B17R0.8809 C=CCCCCCCCC(=O)C=CCCCCC 1458a_100016263427_100012355270 [1,1,0,0,0,0|1,0,1]=4 94 B17R0.8809 C=CCCCCCCCC(=O)CCCCCCC 1458a_100000211969_100012355270 [1,1,0,0,0,0|1,0,1]=4 95 B17R0.8809 C=CCCCCCCCC(=O)CCCCCCC 1458a_100011216160_100000210614 [1,1,0,0,0,0|1,0,1]=4 96 B17R0.12412 C=CCCCCCCCCC(=O)CCCCCC 1458a_100000211349_100000210757 [1,1,0,0,0,0|1,0,1]=4 97 B17R0.12412 C=CCCCCCCCCC(=O)CCCCCC 1458a_100102632555_100011933949 [1,1,0,0,0,0|1,0,1]=4 98 B19R0.14260 CCCCCCC(C)SCCCCCCCC(=O)OC 62a_100010004213_100011215978 [0,2,0,0,0,0|1,0,1]=4 99 B19R0.14260 CCCCCCC(C)SCCCCCCCC(=O)OC 62a_100011215978_100010004213 [0,2,0,0,0,0|1,0,1]=4 100 B19R0.153 CCCCCC/C=C\CCCCCCCC(=O)N(C)C 11a_100102631434_100020587579 [0,2,0,0,0,0|1,0,0]=3 101 B19R0.153 CCCCCC/C=C\CCCCCCCC(=O)N(C)C 1626a_100102631434_100020587579 [0,2,0,0,0,0|1,0,0]=3 102 B19R0.153 CCCCCC/C=C\CCCCCCCC(=O)N(C)C 240690a_100102631434_100020587579 [0,2,0,0,0,0|1,0,0]=3 103 B19R0.153 CCCCCC/C=C\CCCCCCCC(=O)N(C)C 527a_100102631434_100020587579 [0,2,0,0,0,0|1,0,0]=3 104 B19R0.182 C#CCC(=O)CCCCCCC/C=C\CCCCCC 1458a_100020587579_100000184674 [0,2,0,0,0,0|1,0,0]=3 105 B19R0.182 CCCCCC/C=C\CCCCCCCC(=O)CC#N 1458a_100020587579_100011214920 [0,2,0,0,0,0|1,0,0]=3 106 B19R0.182 CCCCCC/C=C\CCCCCCCC(=O)NCC 11a_100015525214_100020587579 [0,2,0,0,0,0|1,0,0]=3 107 B19R0.182 CCCCCC/C=C\CCCCCCCC(=O)NCC 240690a_100015525214_100020587579 [0,2,0,0,0,0|1,0,0]=3 108 B19R0.182 CCCCCC/C=C\CCCCCCCC(=O)NCC 527a_100015525214_100020587579 [0,2,0,0,0,0|1,0,0]=3 109 B19R0.21384 COC(=O)CCCCCCCCSCCCCC(C)C 62a_100010282707_100011216152 [0,2,0,0,0,0|1,0,1]=4 110 B19R0.21384 COC(=O)CCCCCCCCSCCCCC(C)C 62a_100011216152_100010282707 [0,2,0,0,0,0|1,0,1]=4 111 B19R0.21384 COC(=O)CCCCCCCSCCCCCC(C)C 62a_100000210682_100010004213 [0,2,0,0,0,0|1,0,1]=4 112 B19R0.21384 COC(=O)CCCCCCCSCCCCCC(C)C 62a_100010004213_100000210682 [0,2,0,0,0,0|1,0,1]=4 113 B19R0.25739 CCCCCC(C)SCCCCCCCCC(=O)OC 62a_100010282707_200011218191 [0,2,0,0,0,0|1,0,1]=4 114 B19R0.25739 CCCCCC(C)SCCCCCCCCC(=O)OC 62a_200011218191_100010282707 [0,2,0,0,0,0|1,0,1]=4