0 B8R0.7 C#CCCCCC(=O)C 1458a_100000070787_100010269958 [0,0,0,0,0,0|2,0,1]=3 1 B8R0.7 C#CCCCCC(=O)C 1458a_100000696528_200000210301 [0,0,0,0,0,0|2,0,1]=3 2 B8R0.7 C#CCCCCC(=O)[13CH3] 1458a_100000696528_200025704644 [0,0,0,0,0,0|2,0,1]=3 3 B8R0.7 C#CCCCNC(=O)C 11a_100000718082_100015343762 [0,0,0,0,0,0|3,0,1]=4 4 B8R0.7 C#CCCCNC(=O)C 1626a_100000718082_100015343762 [0,0,0,0,0,0|3,0,1]=4 5 B8R0.7 C#CCCCNC(=O)C 240690a_100000718082_100015343762 [0,0,0,0,0,0|3,0,1]=4 6 B8R0.7 C#CCCCNC(=O)C 527a_100000718082_100103153847 [0,0,0,0,0,0|3,0,1]=4 7 B8R0.7 C#CCCNCC(=O)N 2230a_100000711301_100000688953 [0,0,0,0,0,0|3,0,1]=4 8 B8R0.7 C#CCCNCC(=O)N 34a_100000755551_100000187820 [0,0,0,0,0,0|3,0,1]=4 9 B8R0.7 C#CCCNCC(=O)O 269956a_100016091260_100000688953 [0,0,0,0,0,0|2,0,1]=3 10 B8R0.7 C#CCCNCC(=O)[O-] 34a_100000755551_100020667443 [0,0,0,0,0,0|2,0,2]=4 11 B8R0.7 C#CCCOCC(=O)C 34a_100000211253_100000688953 [0,0,0,0,0,0|3,0,1]=4 12 B8R0.7 C#CCCOCC(=O)N 34a_100011215631_100000187820 [0,0,0,0,0,0|3,0,1]=4 13 B8R0.7 C#CCCOCC(=O)[O-] 34a_100011215631_100020667443 [0,0,0,0,0,0|2,0,2]=4 14 B8R0.7 C#CCCSCC(=O)N 62a_100000688953_100000747473 [0,0,0,0,0,0|3,0,1]=4 15 B8R0.7 C#CCCSCC(=O)N 62a_100000747473_100000688953 [0,0,0,0,0,0|3,0,1]=4 16 B8R0.7 C#CCCSCC(=O)[O-] 62a_100000688953_100020667443 [0,0,0,0,0,0|2,0,2]=4 17 B8R0.7 C#CCCSCC(=O)[O-] 62a_100020667443_100000688953 [0,0,0,0,0,0|2,0,2]=4 18 B8R0.7 C#CCNCCC(=O)N 34a_100000212058_100000731001 [0,0,0,0,0,0|3,0,1]=4 19 B8R0.7 C#CCNOCC(=O)O 269956a_100000106656_100000184674 [0,0,0,0,0,0|3,0,1]=4 20 B8R0.7 C#CCOCCC(=O)C 1458a_100000070787_100010402529 [0,0,0,0,0,0|3,0,1]=4 21 B8R0.7 C#CCOCCC(=O)C 1458a_100000693358_200000210301 [0,0,0,0,0,0|3,0,1]=4 22 B8R0.7 C#CCOCCC(=O)C 34a_100000759926_100000184674 [0,0,0,0,0,0|3,0,1]=4 23 B8R0.7 C#CCOCCC(=O)C 7a_100000759926_100000038162 [0,0,0,0,0,0|3,0,1]=4 24 B8R0.7 C#CCOCCC(=O)N 34a_100000210247_100000731001 [0,0,0,0,0,0|3,0,1]=4 25 B8R0.7 C#CCOCCC(=O)N 34a_100000757172_100000184674 [0,0,0,0,0,0|3,0,1]=4 26 B8R0.7 C#CCOCCC(=O)N 7a_100000757172_100000038162 [0,0,0,0,0,0|3,0,1]=4 27 B8R0.7 C#CCOCCC(=O)[13CH3] 1458a_100000693358_200025704644 [0,0,0,0,0,0|3,0,1]=4 28 B8R0.7 C#CCSCCC(=O)C 62a_100000038162_100000053229 [0,0,0,0,0,0|3,0,1]=4 29 B8R0.7 C#CCSCCC(=O)N 62a_100000038162_100000744528 [0,0,0,0,0,0|3,0,1]=4 30 B8R0.7 C/C=C/CNCC(=O)O 269956a_100016091260_100102629194 [0,0,0,0,0,0|2,0,2]=4 31 B8R0.7 C=C(Br)CCOCCC 34a_100009813270_100000210303 [0,0,0,0,0,0|4,0,0]=4 32 B8R0.7 C=C(Br)CCOCCF 34a_100009813270_100011217306 [0,0,0,0,0,0|4,0,0]=4 33 B8R0.7 C=C(Br)CCOCCO 34a_100009813270_100000211926 [0,0,0,0,0,0|4,0,0]=4 34 B8R0.7 C=C(C)CCNCCF 34a_100000724931_100000730704 [0,0,0,0,0,0|4,0,0]=4 35 B8R0.7 C=C(C)CCNCCO 2230a_100016997473_100000730704 [0,0,0,0,0,0|4,0,0]=4 36 B8R0.7 C=C(C)CCNCCO 34a_100016990907_100000730704 [0,0,0,0,0,0|4,0,0]=4 37 B8R0.7 C=C(C)CCOCCBr 34a_100000211926_100000730704 [0,0,0,0,0,0|4,0,0]=4 38 B8R0.7 C=C(C)CCOCCC 34a_100000210258_100000730704 [0,0,0,0,0,0|4,0,0]=4 39 B8R0.7 C=C(C)CCOCCC 34a_100000764851_100000210303 [0,0,0,0,0,0|4,0,0]=4 40 B8R0.7 C=C(C)CCOCCF 34a_100000764851_100011217306 [0,0,0,0,0,0|4,0,0]=4 41 B8R0.7 C=C(C)CCOCCN 34a_100000210304_100000730704 [0,0,0,0,0,0|3,0,0]=3 42 B8R0.7 C=C(C)CCOCCO 34a_100000764851_100000211926 [0,0,0,0,0,0|4,0,0]=4 43 B8R0.7 C=C(C)CCSCCC 62a_100000210303_100000730704 [0,0,0,0,0,0|4,0,0]=4 44 B8R0.7 C=C(C)CCSCCC 62a_100000730704_100000210303 [0,0,0,0,0,0|4,0,0]=4 45 B8R0.7 C=C(C)CCSCCF 62a_100000730704_100011217306 [0,0,0,0,0,0|4,0,0]=4 46 B8R0.7 C=C(C)CCSCCF 62a_100011217306_100000730704 [0,0,0,0,0,0|4,0,0]=4 47 B8R0.7 C=C(C)CCSCCO 62a_100000211926_100000730704 [0,0,0,0,0,0|4,0,0]=4 48 B8R0.7 C=C(C)CCSCCO 62a_100000730704_100000211926 [0,0,0,0,0,0|4,0,0]=4 49 B8R0.7 C=C(C)CNCCCC 2230a_100000102301_100000748629 [0,0,0,0,0,0|4,0,0]=4 50 B8R0.7 C=C(C)CNCCCC 7a_106832991798_100000748629 [0,0,0,0,0,0|4,0,0]=4 51 B8R0.7 C=C(C)CNCCCF 2230a_100015189416_100000748629 [0,0,0,0,0,0|4,0,0]=4 52 B8R0.7 C=C(C)CNCCCF 34a_100015189416_100000748629 [0,0,0,0,0,0|4,0,0]=4 53 B8R0.7 C=C(C)COCCCBr 34a_100011217188_100000748629 [0,0,0,0,0,0|4,0,0]=4 54 B8R0.7 C=C(C)COCCCC 34a_100000210227_100000748629 [0,0,0,0,0,0|4,0,0]=4 55 B8R0.7 C=C(C)COCCCC 34a_100000210245_100000210210 [0,0,0,0,0,0|4,0,0]=4 56 B8R0.7 C=C(C)COCCCC 7a_100000210227_100000748629 [0,0,0,0,0,0|4,0,0]=4 57 B8R0.7 C=C(C)COCCCCl 34a_100000230001_100000748629 [0,0,0,0,0,0|4,0,0]=4 58 B8R0.7 C=C(C)COCCCF 34a_100000210245_100011934791 [0,0,0,0,0,0|4,0,0]=4 59 B8R0.7 C=C(C)COCCCF 34a_100000759539_100000748629 [0,0,0,0,0,0|4,0,0]=4 60 B8R0.7 C=C(C)COCCCN 34a_100000182051_100000748629 [0,0,0,0,0,0|3,0,0]=3 61 B8R0.7 C=C(C)COCCCO 34a_100000210245_100000230001 [0,0,0,0,0,0|4,0,0]=4 62 B8R0.7 C=C(C)COCCON 34a_100000700252_100000748629 [0,0,0,0,0,0|4,0,0]=4 63 B8R0.7 C=C(C)CSCCCC 62a_100000210211_100000211660 [0,0,0,0,0,0|4,0,0]=4 64 B8R0.7 C=C(C)CSCCCC 62a_100000748629_100000210210 [0,0,0,0,0,0|4,0,0]=4 65 B8R0.7 C=C(C)CSCCCF 62a_100000748629_100011934791 [0,0,0,0,0,0|4,0,0]=4 66 B8R0.7 C=C(C)CSCCCF 62a_100011934791_100000211660 [0,0,0,0,0,0|4,0,0]=4 67 B8R0.7 C=C(C)CSCCCO 62a_100000748629_100011215043 [0,0,0,0,0,0|4,0,0]=4 68 B8R0.7 C=C(C)CSCCCO 62a_100011215043_100000211660 [0,0,0,0,0,0|4,0,0]=4 69 B8R0.7 C=C(F)CNCCCC 2230a_100000102301_100009893438 [0,0,0,0,0,0|4,0,0]=4 70 B8R0.7 C=C(F)CNCCCC 7a_106832991798_100000042424 [0,0,0,0,0,0|4,0,0]=4 71 B8R0.7 C=C(F)CNCCCF 2230a_100015189416_100009893438 [0,0,0,0,0,0|4,0,0]=4 72 B8R0.7 C=C(F)CNCCCF 34a_100015189416_100009893438 [0,0,0,0,0,0|4,0,0]=4 73 B8R0.7 C=C(F)COCCCBr 34a_100011217188_100009893438 [0,0,0,0,0,0|4,0,0]=4 74 B8R0.7 C=C(F)COCCCC 34a_100000210227_100009893438 [0,0,0,0,0,0|4,0,0]=4 75 B8R0.7 C=C(F)COCCCC 34a_200010262243_100000210210 [0,0,0,0,0,0|4,0,0]=4 76 B8R0.7 C=C(F)COCCCC 7a_100000210227_100000042424 [0,0,0,0,0,0|4,0,0]=4 77 B8R0.7 C=C(F)COCCCCl 34a_100000230001_100009893438 [0,0,0,0,0,0|4,0,0]=4 78 B8R0.7 C=C(F)COCCCF 34a_100000759539_100009893438 [0,0,0,0,0,0|4,0,0]=4 79 B8R0.7 C=C(F)COCCCF 34a_200010262243_100011934791 [0,0,0,0,0,0|4,0,0]=4 80 B8R0.7 C=C(F)COCCCN 34a_100000182051_100009893438 [0,0,0,0,0,0|3,0,0]=3 81 B8R0.7 C=C(F)COCCCO 34a_200010262243_100000230001 [0,0,0,0,0,0|4,0,0]=4 82 B8R0.7 C=C(F)COCCON 34a_100000700252_100009893438 [0,0,0,0,0,0|4,0,0]=4 83 B8R0.7 C=C(F)CSCCCC 62a_100000042424_100000210210 [0,0,0,0,0,0|4,0,0]=4 84 B8R0.7 C=C(F)CSCCCC 62a_100000210211_100000042424 [0,0,0,0,0,0|4,0,0]=4 85 B8R0.7 C=C(F)CSCCCF 62a_100000042424_100011934791 [0,0,0,0,0,0|4,0,0]=4 86 B8R0.7 C=C(F)CSCCCF 62a_100011934791_100000042424 [0,0,0,0,0,0|4,0,0]=4 87 B8R0.7 C=C(F)CSCCCO 62a_100000042424_100011215043 [0,0,0,0,0,0|4,0,0]=4 88 B8R0.7 C=C(F)CSCCCO 62a_100011215043_100000042424 [0,0,0,0,0,0|4,0,0]=4 89 B8R0.7 C=CCCCCC(=O)C 1458a_100000070787_100011215482 [0,0,0,0,0,0|2,0,1]=3 90 B8R0.7 C=CCCCCC(=O)C 1458a_100011215552_200000210301 [0,0,0,0,0,0|2,0,1]=3 91 B8R0.7 C=CCCCCC(=O)[13CH3] 1458a_100011215552_200025704644 [0,0,0,0,0,0|2,0,1]=3 92 B8R0.7 C=CCCCNC(=O)C 11a_100000700776_100015343762 [0,0,0,0,0,0|3,0,1]=4 93 B8R0.7 C=CCCCNC(=O)C 1626a_100000700776_100015343762 [0,0,0,0,0,0|3,0,1]=4 94 B8R0.7 C=CCCCNC(=O)C 240690a_100000700776_100015343762 [0,0,0,0,0,0|3,0,1]=4 95 B8R0.7 C=CCCCNC(=O)C 527a_100000700776_100103153847 [0,0,0,0,0,0|3,0,1]=4 96 B8R0.7 C=CCCNCC(=O)N 2230a_100000711301_100000754431 [0,0,0,0,0,0|3,0,1]=4 97 B8R0.7 C=CCCNCC(=O)N 2230a_100015191253_100000747473 [0,0,0,0,0,0|3,0,1]=4 98 B8R0.7 C=CCCNCC(=O)O 269956a_100016091260_100000754431 [0,0,0,0,0,0|2,0,1]=3 99 B8R0.7 C=CCCOCC(=O)C 34a_100000211253_100000754431 [0,0,0,0,0,0|3,0,1]=4 100 B8R0.7 C=CCCOCC(=O)N 34a_100011205117_100000187820 [0,0,0,0,0,0|3,0,1]=4 101 B8R0.7 C=CCCOCC(=O)[O-] 34a_100011205117_100020667443 [0,0,0,0,0,0|2,0,2]=4 102 B8R0.7 C=CCCSCC(=O)N 62a_100000747473_100000754431 [0,0,0,0,0,0|3,0,1]=4 103 B8R0.7 C=CCCSCC(=O)N 62a_100000754431_100000747473 [0,0,0,0,0,0|3,0,1]=4 104 B8R0.7 C=CCCSCC(=O)[O-] 62a_100000754431_100020667443 [0,0,0,0,0,0|2,0,2]=4 105 B8R0.7 C=CCCSCC(=O)[O-] 62a_100020667443_100000754431 [0,0,0,0,0,0|2,0,2]=4 106 B8R0.7 C=CCNCCC(=O)N 2230a_100020586998_100000744528 [0,0,0,0,0,0|3,0,1]=4 107 B8R0.7 C=CCNOCC(=O)O 269956a_100000106656_100000210623 [0,0,0,0,0,0|3,0,1]=4 108 B8R0.7 C=CCOCCC(=O)C 1458a_200011217002_200000210301 [0,0,0,0,0,0|3,0,1]=4 109 B8R0.7 C=CCOCCC(=O)C 34a_100000759926_100015514636 [0,0,0,0,0,0|3,0,1]=4 110 B8R0.7 C=CCOCCC(=O)C 7a_100000759926_100015514636 [0,0,0,0,0,0|3,0,1]=4 111 B8R0.7 C=CCOCCC(=O)N 34a_100000757172_100015514636 [0,0,0,0,0,0|3,0,1]=4 112 B8R0.7 C=CCOCCC(=O)N 34a_200000210373_100000731001 [0,0,0,0,0,0|3,0,1]=4 113 B8R0.7 C=CCOCCC(=O)N 7a_100000757172_100015514636 [0,0,0,0,0,0|3,0,1]=4 114 B8R0.7 C=CCOCCC(=O)[13CH3] 1458a_200011217002_200025704644 [0,0,0,0,0,0|3,0,1]=4 115 B8R0.7 C=CCSCCC(=O)C 62a_100000053229_100000210623 [0,0,0,0,0,0|3,0,1]=4 116 B8R0.7 C=CCSCCC(=O)C 62a_100000210623_100000053229 [0,0,0,0,0,0|3,0,1]=4 117 B8R0.7 C=CCSCCC(=O)N 62a_100000210623_100000744528 [0,0,0,0,0,0|3,0,1]=4 118 B8R0.7 C=CCSCCC(=O)N 62a_100000744528_100000210623 [0,0,0,0,0,0|3,0,1]=4 119 B8R0.7 CC#CCNCC(=O)O 269956a_100016091260_100000748600 [0,0,0,0,0,0|2,0,2]=4 120 B8R0.7 CC(=CCOCCN)C 34a_100000210304_100000761012 [0,0,0,0,0,0|3,0,1]=4 121 B8R0.7 CC(=O)CCCCC#N 1458a_100000070787_100000211819 [0,0,0,0,0,0|1,0,2]=3 122 B8R0.7 CC(=O)CCCCCF 1458a_100000070787_100000729378 [0,0,0,0,0,0|2,0,0]=2 123 B8R0.7 CC(=O)CCCCCO 1458a_100000070787_100000746330 [0,0,0,0,0,0|2,0,0]=2 124 B8R0.7 CC(=O)CCCCCO 1458a_100102619762_200000210301 [0,0,0,0,0,0|2,0,0]=2 125 B8R0.7 CC(=O)CCCCS[13CH3] 62a_100000735457_200025704644 [0,0,0,0,0,0|3,0,0]=3 126 B8R0.7 CC(=O)CCCCS[13CH3] 62a_200025704644_100000735457 [0,0,0,0,0,0|3,0,0]=3 127 B8R0.7 CC(=O)CCCN=[N+]=[N-] 1458a_100010262590_200000210301 [0,0,0,0,0,0|3,0,1]=4 128 B8R0.7 CC(=O)CCCOCF 34a_100000759063_100015361967 [0,0,0,0,0,0|3,0,0]=3 129 B8R0.7 CC(=O)CCCOCF 7a_100000759063_100015361967 [0,0,0,0,0,0|3,0,0]=3 130 B8R0.7 CC(=O)CCCSCF 62a_100011215641_100015361967 [0,0,0,0,0,0|3,0,0]=3 131 B8R0.7 CC(=O)CCCSCF 62a_100015361967_100011215641 [0,0,0,0,0,0|3,0,0]=3 132 B8R0.7 CC(=O)CCOCC#N 1458a_100000070787_200000047693 [0,0,0,0,0,0|2,0,2]=4 133 B8R0.7 CC(=O)CCOCC#N 7a_100000759926_100011215382 [0,0,0,0,0,0|2,0,2]=4 134 B8R0.7 CC(=O)CCOCC=O 34a_100000759926_200009817547 [0,0,0,0,0,0|3,0,1]=4 135 B8R0.7 CC(=O)CCOCC=O 7a_100000759926_200015260668 [0,0,0,0,0,0|3,0,1]=4 136 B8R0.7 CC(=O)CCOCCF 34a_100000759926_100011217306 [0,0,0,0,0,0|3,0,0]=3 137 B8R0.7 CC(=O)CCOCCF 7a_100000759926_100011217306 [0,0,0,0,0,0|3,0,0]=3 138 B8R0.7 CC(=O)CCOCCO 1458a_100000070787_100011215305 [0,0,0,0,0,0|3,0,0]=3 139 B8R0.7 CC(=O)CCOCCO 1458a_100011229844_200000210301 [0,0,0,0,0,0|3,0,0]=3 140 B8R0.7 CC(=O)CCOCCO 34a_100000759926_100000211926 [0,0,0,0,0,0|3,0,0]=3 141 B8R0.7 CC(=O)CCOCCO 7a_100000759926_100000211926 [0,0,0,0,0,0|3,0,0]=3 142 B8R0.7 CC(=O)CCSCC#N 62a_100000053229_100011215382 [0,0,0,0,0,0|2,0,2]=4 143 B8R0.7 CC(=O)CCSCC#N 62a_100011215382_100000053229 [0,0,0,0,0,0|2,0,2]=4 144 B8R0.7 CC(=O)CCSCC=O 62a_100000053229_200015260668 [0,0,0,0,0,0|3,0,1]=4 145 B8R0.7 CC(=O)CCSCC=O 62a_200015260668_100000053229 [0,0,0,0,0,0|3,0,1]=4 146 B8R0.7 CC(=O)CCSCCF 62a_100000053229_100011217306 [0,0,0,0,0,0|3,0,0]=3 147 B8R0.7 CC(=O)CCSCCF 62a_100011217306_100000053229 [0,0,0,0,0,0|3,0,0]=3 148 B8R0.7 CC(=O)CCSCCO 62a_100000053229_100000211926 [0,0,0,0,0,0|3,0,0]=3 149 B8R0.7 CC(=O)CCSCCO 62a_100000211926_100000053229 [0,0,0,0,0,0|3,0,0]=3 150 B8R0.7 CC(=O)COCCCF 34a_100000211253_100011934791 [0,0,0,0,0,0|3,0,0]=3 151 B8R0.7 CC(=O)COCCCO 34a_100000211253_100000230001 [0,0,0,0,0,0|3,0,0]=3 152 B8R0.7 CC(=O)NCCCCO 240690a_100000750430_100015343762 [0,0,0,0,0,0|3,0,0]=3 153 B8R0.7 CC(=O)NCCCCO 527a_100000750430_100103153847 [0,0,0,0,0,0|3,0,0]=3 154 B8R0.7 CC(=O)NCCCN[13CH3] 34a_100000736810_200025704644 [0,0,0,0,0,0|4,0,0]=4 155 B8R0.7 CC(=O)NCCCO[13CH3] 34a_100000752032_200025704644 [0,0,0,0,0,0|4,0,0]=4 156 B8R0.7 CC(=O)NCCOCF 34a_100000158858_100015361967 [0,0,0,0,0,0|4,0,0]=4 157 B8R0.7 CC(=O)NCCSCF 62a_100000189650_100015361967 [0,0,0,0,0,0|4,0,0]=4 158 B8R0.7 CC(=O)NCCSCF 62a_100015361967_100000189650 [0,0,0,0,0,0|4,0,0]=4 159 B8R0.7 CC(=O)OCCCS[13CH3] 62a_100000042594_200025704644 [0,0,0,0,0,0|4,0,0]=4 160 B8R0.7 CC(=O)OCCCS[13CH3] 62a_200025704644_100000042594 [0,0,0,0,0,0|4,0,0]=4 161 B8R0.7 CC(=O)OCCSCF 62a_100009814007_100015361967 [0,0,0,0,0,0|4,0,0]=4 162 B8R0.7 CC(=O)OCCSCF 62a_100015361967_100009814007 [0,0,0,0,0,0|4,0,0]=4 163 B8R0.7 CC(=O)OCNCCF 34a_100000724931_100009813279 [0,0,0,0,0,0|4,0,0]=4 164 B8R0.7 CC(=O)OCNCCO 34a_100016990907_100009813279 [0,0,0,0,0,0|4,0,0]=4 165 B8R0.7 CC(=O)OCOCCBr 34a_100000211926_100009813279 [0,0,0,0,0,0|4,0,0]=4 166 B8R0.7 CC(=O)OCOCCN 34a_100000210304_100009813279 [0,0,0,0,0,0|3,0,0]=3 167 B8R0.7 CC(=O)OCSCCF 62a_100000076356_100011217306 [0,0,0,0,0,0|4,0,0]=4 168 B8R0.7 CC(=O)OCSCCF 62a_100011217306_100000076356 [0,0,0,0,0,0|4,0,0]=4 169 B8R0.7 CC(=O)OCSCCO 62a_100000076356_100000211926 [0,0,0,0,0,0|4,0,0]=4 170 B8R0.7 CC(=O)OCSCCO 62a_100000211926_100000076356 [0,0,0,0,0,0|4,0,0]=4 171 B8R0.7 CC(=O)SCCCS[13CH3] 62a_100000038929_200025704644 [0,0,0,0,0,0|4,0,0]=4 172 B8R0.7 CC(=O)SCCCS[13CH3] 62a_200025704644_100000038929 [0,0,0,0,0,0|4,0,0]=4 173 B8R0.7 CC(C)CCOCCN 34a_100000210304_100000210312 [0,0,0,0,0,0|3,0,1]=4 174 B8R0.7 CC(C)COCCCN 34a_100000182051_100000210624 [0,0,0,0,0,0|3,0,1]=4 175 B8R0.7 CC(C)OCCCCN 34a_100000750430_100000210206 [0,0,0,0,0,0|3,0,1]=4 176 B8R0.7 CC(O)CCCSCF 62a_100015361967_200000718107 [0,0,0,0,0,0|3,0,1]=4 177 B8R0.7 CC(O)CCCSCF 62a_200000718107_100015361967 [0,0,0,0,0,0|3,0,1]=4 178 B8R0.7 CC(O)CCNCCF 2230a_200000755665_100011217306 [0,0,0,0,0,0|3,0,1]=4 179 B8R0.7 CC(O)CCNCCF 34a_100000724931_100012276601 [0,0,0,0,0,0|3,0,1]=4 180 B8R0.7 CC(O)CCNCCO 2230a_100016997473_100012276601 [0,0,0,0,0,0|3,0,1]=4 181 B8R0.7 CC(O)CCNCCO 2230a_200000755665_100000211926 [0,0,0,0,0,0|3,0,1]=4 182 B8R0.7 CC(O)CCNCCO 34a_100016990907_100012276601 [0,0,0,0,0,0|3,0,1]=4 183 B8R0.7 CC(O)CCOCCBr 34a_100000211926_100012276601 [0,0,0,0,0,0|3,0,1]=4 184 B8R0.7 CC(O)CCOCCN 34a_100000210304_100012276601 [0,0,0,0,0,0|2,0,1]=3 185 B8R0.7 CC(O)CCSCCF 62a_100011217306_100012276601 [0,0,0,0,0,0|3,0,1]=4 186 B8R0.7 CC(O)CCSCCF 62a_100012276601_100011217306 [0,0,0,0,0,0|3,0,1]=4 187 B8R0.7 CC(O)CCSCCO 62a_100000211926_100012276601 [0,0,0,0,0,0|3,0,1]=4 188 B8R0.7 CC(O)CCSCCO 62a_100012276601_100000211926 [0,0,0,0,0,0|3,0,1]=4 189 B8R0.7 CC(O)CNCCCF 2230a_100000210904_100011934791 [0,0,0,0,0,0|3,0,1]=4 190 B8R0.7 CC(O)CNCCCF 2230a_100015189416_100011218427 [0,0,0,0,0,0|3,0,1]=4 191 B8R0.7 CC(O)CNCCCF 34a_100000210904_100011934791 [0,0,0,0,0,0|3,0,1]=4 192 B8R0.7 CC(O)CNCCCF 34a_100015189416_100011218427 [0,0,0,0,0,0|3,0,1]=4 193 B8R0.7 CC(O)CNCCCO 2230a_100000210904_100000230001 [0,0,0,0,0,0|3,0,1]=4 194 B8R0.7 CC(O)CNCCCO 34a_100000210904_100000230001 [0,0,0,0,0,0|3,0,1]=4 195 B8R0.7 CC(O)COCCCBr 34a_100011217188_100011218427 [0,0,0,0,0,0|3,0,1]=4 196 B8R0.7 CC(O)COCCCCl 34a_100000230001_100011218427 [0,0,0,0,0,0|3,0,1]=4 197 B8R0.7 CC(O)COCCCF 34a_100000759539_100011218427 [0,0,0,0,0,0|3,0,1]=4 198 B8R0.7 CC(O)COCCCN 34a_100000182051_100011218427 [0,0,0,0,0,0|2,0,1]=3 199 B8R0.7 CC(O)COCCON 34a_100000700252_100011218427 [0,0,0,0,0,0|3,0,1]=4 200 B8R0.7 CC(O)CSCCCF 62a_100011218427_100011934791 [0,0,0,0,0,0|3,0,1]=4 201 B8R0.7 CC(O)CSCCCF 62a_100011934791_100011218427 [0,0,0,0,0,0|3,0,1]=4 202 B8R0.7 CC(O)CSCCCO 62a_100011215043_100011218427 [0,0,0,0,0,0|3,0,1]=4 203 B8R0.7 CC(O)CSCCCO 62a_100011218427_100011215043 [0,0,0,0,0,0|3,0,1]=4 204 B8R0.7 CC/C=C\CCC(=O)C 1458a_100000070787_100015370543 [0,0,0,0,0,0|2,0,2]=4 205 B8R0.7 CCC/C=C/CC(=O)C 1458a_200016266809_200000210301 [0,0,0,0,0,0|2,0,2]=4 206 B8R0.7 CCC/C=C/CC(=O)[13CH3] 1458a_200016266809_200025704644 [0,0,0,0,0,0|2,0,2]=4 207 B8R0.7 CCCCC=CC(=O)C 1458a_100016266645_200000210301 [0,0,0,0,0,0|2,0,2]=4 208 B8R0.7 CCCCC=CC(=O)[13CH3] 1458a_100016266645_200025704644 [0,0,0,0,0,0|2,0,2]=4 209 B8R0.7 CCCCCCC(=O)C 1458a_100000070787_100000210757 [0,0,0,0,0,0|2,0,0]=2 210 B8R0.7 CCCCCCC(=O)C 1458a_100102632555_200000210301 [0,0,0,0,0,0|2,0,0]=2 211 B8R0.7 CCCCCCC(=O)[13CH3] 1458a_100102632555_200025704644 [0,0,0,0,0,0|2,0,0]=2 212 B8R0.7 CCCCCCN(C)C 2230a_100102631434_100000210314 [0,0,0,0,0,0|4,0,0]=4 213 B8R0.7 CCCCCCN(C)C 2230a_106256046315_200000210301 [0,0,0,0,0,0|4,0,0]=4 214 B8R0.7 CCCCCCN(C)C 269982a_100102631434_100000210757 [0,0,0,0,0,0|4,0,0]=4 215 B8R0.7 CCCCCCN(C)C 269982a_106256046315_200000210301 [0,0,0,0,0,0|4,0,0]=4 216 B8R0.7 CCCCCCN(C)[13CH3] 2230a_106256046315_200025704644 [0,0,0,0,0,0|4,0,0]=4 217 B8R0.7 CCCCCCN(C)[13CH3] 269982a_106256046315_200025704644 [0,0,0,0,0,0|4,0,0]=4 218 B8R0.7 CCCCCNC(=O)C 11a_100000209983_100015343762 [0,0,0,0,0,0|3,0,0]=3 219 B8R0.7 CCCCCNC(=O)C 1626a_100000209983_100015343762 [0,0,0,0,0,0|3,0,0]=3 220 B8R0.7 CCCCCNC(=O)C 240690a_100000209983_100015343762 [0,0,0,0,0,0|3,0,0]=3 221 B8R0.7 CCCCCNC(=O)C 527a_100000209983_100103153847 [0,0,0,0,0,0|3,0,0]=3 222 B8R0.7 CCCCNCC(=O)N 2230a_100000102301_100000747473 [0,0,0,0,0,0|3,0,0]=3 223 B8R0.7 CCCCNCC(=O)N 2230a_100000711301_100000210211 [0,0,0,0,0,0|3,0,0]=3 224 B8R0.7 CCCCNCC(=O)N 7a_106832991798_100000187820 [0,0,0,0,0,0|3,0,0]=3 225 B8R0.7 CCCCNCC(=O)O 269956a_100016091260_100000210211 [0,0,0,0,0,0|2,0,0]=2 226 B8R0.7 CCCCNCC(C)O 2230a_100000102301_100011218427 [0,0,0,0,0,0|3,0,1]=4 227 B8R0.7 CCCCNCC(C)O 2230a_100000210904_100000210211 [0,0,0,0,0,0|3,0,1]=4 228 B8R0.7 CCCCNCC(C)O 34a_100000210904_100000210210 [0,0,0,0,0,0|3,0,1]=4 229 B8R0.7 CCCCNCC(C)O 7a_106832991798_100011218427 [0,0,0,0,0,0|3,0,1]=4 230 B8R0.7 CCCCNC[C@@H](C)O 2230a_100000102301_100009817552 [0,0,0,0,0,0|3,0,1]=4 231 B8R0.7 CCCCNC[C@@H](C)O 7a_106832991798_100009817552 [0,0,0,0,0,0|3,0,1]=4 232 B8R0.7 CCCCNNC(=O)C 22a_100025702795_100000070787 [0,0,0,0,0,0|4,0,0]=4 233 B8R0.7 CCCCOCC(=O)C 1458a_100000070787_100011995733 [0,0,0,0,0,0|3,0,0]=3 234 B8R0.7 CCCCOCC(=O)C 1458a_100000757543_200000210301 [0,0,0,0,0,0|3,0,0]=3 235 B8R0.7 CCCCOCC(=O)C 34a_100000211253_100000210210 [0,0,0,0,0,0|3,0,0]=3 236 B8R0.7 CCCCOCC(=O)N 34a_100000210227_100000187820 [0,0,0,0,0,0|3,0,0]=3 237 B8R0.7 CCCCOCC(=O)N 7a_100000210227_100000187820 [0,0,0,0,0,0|3,0,0]=3 238 B8R0.7 CCCCOCC(=O)[13CH3] 1458a_100000757543_200025704644 [0,0,0,0,0,0|3,0,0]=3 239 B8R0.7 CCCCOCC(=O)[O-] 34a_100000210227_100020667443 [0,0,0,0,0,0|2,0,1]=3 240 B8R0.7 CCCCOCC(C)O 34a_100000210227_100011218427 [0,0,0,0,0,0|3,0,1]=4 241 B8R0.7 CCCCOCC(C)O 7a_100000210227_100011218427 [0,0,0,0,0,0|3,0,1]=4 242 B8R0.7 CCCCOC[C@@H](C)O 34a_100000210227_100009817552 [0,0,0,0,0,0|3,0,1]=4 243 B8R0.7 CCCCOC[C@@H](C)O 7a_100000210227_100009817552 [0,0,0,0,0,0|3,0,1]=4 244 B8R0.7 CCCCOC[N+](=O)[O-] 34a_100000210227_100000761209 [0,0,0,0,0,0|3,0,1]=4 245 B8R0.7 CCCCSCC(=O)C 1458a_100000191162_200000210301 [0,0,0,0,0,0|3,0,0]=3 246 B8R0.7 CCCCSCC(=O)N 62a_100000210211_100000747473 [0,0,0,0,0,0|3,0,0]=3 247 B8R0.7 CCCCSCC(=O)N 62a_100000747473_100000210210 [0,0,0,0,0,0|3,0,0]=3 248 B8R0.7 CCCCSCC(=O)[13CH3] 1458a_100000191162_200025704644 [0,0,0,0,0,0|3,0,0]=3 249 B8R0.7 CCCCSCC(=O)[O-] 62a_100000210211_100020667443 [0,0,0,0,0,0|2,0,1]=3 250 B8R0.7 CCCCSCC(=O)[O-] 62a_100020667443_100000210210 [0,0,0,0,0,0|2,0,1]=3 251 B8R0.7 CCCCSCC(C)O 62a_100000210211_100011218427 [0,0,0,0,0,0|3,0,1]=4 252 B8R0.7 CCCCSCC(C)O 62a_100011218427_100000210210 [0,0,0,0,0,0|3,0,1]=4 253 B8R0.7 CCCCSC[C@@H](C)O 62a_100000210211_100009817552 [0,0,0,0,0,0|3,0,1]=4 254 B8R0.7 CCCCSC[C@@H](C)O 62a_100009817552_100000210210 [0,0,0,0,0,0|3,0,1]=4 255 B8R0.7 CCCCSC[N+](=O)[O-] 62a_100000210211_100000761209 [0,0,0,0,0,0|3,0,1]=4 256 B8R0.7 CCCNCCC(C)O 2230a_200000755665_100000210303 [0,0,0,0,0,0|3,0,1]=4 257 B8R0.7 CCCNOCC(=O)O 269956a_100000106656_100000210207 [0,0,0,0,0,0|3,0,0]=3 258 B8R0.7 CCCOCCC(=O)C 1458a_100000070787_100011215938 [0,0,0,0,0,0|3,0,0]=3 259 B8R0.7 CCCOCCC(=O)C 34a_100000759926_100000210303 [0,0,0,0,0,0|3,0,0]=3 260 B8R0.7 CCCOCCC(=O)C 7a_100000759926_100000210303 [0,0,0,0,0,0|3,0,0]=3 261 B8R0.7 CCCOCCC(=O)N 34a_100000210258_100000731001 [0,0,0,0,0,0|3,0,0]=3 262 B8R0.7 CCCOCCC(=O)N 34a_100000757172_100000210303 [0,0,0,0,0,0|3,0,0]=3 263 B8R0.7 CCCOCCC(=O)N 7a_100000757172_100000210303 [0,0,0,0,0,0|3,0,0]=3 264 B8R0.7 CCCOCCC(C)O 34a_100000210258_100012276601 [0,0,0,0,0,0|3,0,1]=4 265 B8R0.7 CCCOCOC(=O)C 34a_100000210258_100009813279 [0,0,0,0,0,0|4,0,0]=4 266 B8R0.7 CCCSCCC(=O)C 62a_100000053229_100000210303 [0,0,0,0,0,0|3,0,0]=3 267 B8R0.7 CCCSCCC(=O)C 62a_100000210303_100000053229 [0,0,0,0,0,0|3,0,0]=3 268 B8R0.7 CCCSCCC(=O)N 62a_100000210303_100000744528 [0,0,0,0,0,0|3,0,0]=3 269 B8R0.7 CCCSCCC(=O)N 62a_100000744528_100000210303 [0,0,0,0,0,0|3,0,0]=3 270 B8R0.7 CCCSCCC(C)O 62a_100000210303_100012276601 [0,0,0,0,0,0|3,0,1]=4 271 B8R0.7 CCCSCCC(C)O 62a_100012276601_100000210303 [0,0,0,0,0,0|3,0,1]=4 272 B8R0.7 CCCSCOC(=O)C 62a_100000076356_100000210303 [0,0,0,0,0,0|4,0,0]=4 273 B8R0.7 CCCSCOC(=O)C 62a_100000210303_100000076356 [0,0,0,0,0,0|4,0,0]=4 274 B8R0.7 CCNCCCC(=O)N 34a_100000739312_100000210202 [0,0,0,0,0,0|3,0,0]=3 275 B8R0.7 CCNCCCC(C)O 2230a_100015525214_200000718107 [0,0,0,0,0,0|3,0,1]=4 276 B8R0.7 CCNCCCS(=O)C 2230a_200000753449_100000210202 [0,0,0,0,0,0|4,0,0]=4 277 B8R0.7 CCNCCNC(=O)C 2230a_100000209853_100000210202 [0,0,0,0,0,0|4,0,0]=4 278 B8R0.7 CCNCCNC(=O)C 2230a_100015525214_100000189650 [0,0,0,0,0,0|4,0,0]=4 279 B8R0.7 CCNCCNC(=O)N 2230a_100015525214_200000034859 [0,0,0,0,0,0|4,0,0]=4 280 B8R0.7 CCNCCNC(=O)N 34a_100020590234_100000210202 [0,0,0,0,0,0|4,0,0]=4 281 B8R0.7 CCOCCCC(=O)C 1458a_100000070787_100012232248 [0,0,0,0,0,0|3,0,0]=3 282 B8R0.7 CCOCCCC(=O)C 34a_100000759063_100000210202 [0,0,0,0,0,0|3,0,0]=3 283 B8R0.7 CCOCCCC(=O)C 34a_100121572206_100000685027 [0,0,0,0,0,0|3,0,0]=3 284 B8R0.7 CCOCCCC(=O)C 7a_100000759063_100000210202 [0,0,0,0,0,0|3,0,0]=3 285 B8R0.7 CCOCCCC(=O)N 34a_100121572206_100102525003 [0,0,0,0,0,0|3,0,0]=3 286 B8R0.7 CCOCCCC(C)O 34a_100121572206_200000718107 [0,0,0,0,0,0|3,0,1]=4 287 B8R0.7 CCOCCC[N+](=O)[O-] 34a_200000037920_100000210202 [0,0,0,0,0,0|3,0,1]=4 288 B8R0.7 CCOCCNC(=O)C 11a_100011200944_100015343762 [0,0,0,0,0,0|4,0,0]=4 289 B8R0.7 CCOCCNC(=O)C 1626a_102516460346_100015343762 [0,0,0,0,0,0|4,0,0]=4 290 B8R0.7 CCOCCNC(=O)C 240690a_100011200944_100015343762 [0,0,0,0,0,0|4,0,0]=4 291 B8R0.7 CCOCCNC(=O)C 34a_100000158858_100000210202 [0,0,0,0,0,0|4,0,0]=4 292 B8R0.7 CCOCCNC(=O)C 527a_100011200944_100103153847 [0,0,0,0,0,0|4,0,0]=4 293 B8R0.7 CCOCCNC(=O)N 34a_100000181757_100000210202 [0,0,0,0,0,0|4,0,0]=4 294 B8R0.7 CCOCCOC(=O)C 34a_100121572206_100009814007 [0,0,0,0,0,0|4,0,0]=4 295 B8R0.7 CCOCCOC(=O)N 34a_100121572206_200011214921 [0,0,0,0,0,0|4,0,0]=4 296 B8R0.7 CCOCCOC(=O)N 7a_100000766696_100000210202 [0,0,0,0,0,0|4,0,0]=4 297 B8R0.7 CCOCNCC(=O)O 269956a_100016091260_100000739092 [0,0,0,0,0,0|3,0,0]=3 298 B8R0.7 CCOCSCC(=O)N 62a_100000739092_100000747473 [0,0,0,0,0,0|4,0,0]=4 299 B8R0.7 CCOCSCC(=O)N 62a_100000747473_100000739092 [0,0,0,0,0,0|4,0,0]=4 300 B8R0.7 CCOCSCC(=O)[O-] 62a_100000739092_100020667443 [0,0,0,0,0,0|3,0,1]=4 301 B8R0.7 CCOCSCC(=O)[O-] 62a_100020667443_100000739092 [0,0,0,0,0,0|3,0,1]=4 302 B8R0.7 CCSCCCC(=O)C 62a_100000210202_100011215641 [0,0,0,0,0,0|3,0,0]=3 303 B8R0.7 CCSCCCC(=O)C 62a_100011215641_100000210202 [0,0,0,0,0,0|3,0,0]=3 304 B8R0.7 CCSCCCC(=O)N 62a_100000210202_100102525003 [0,0,0,0,0,0|3,0,0]=3 305 B8R0.7 CCSCCCC(=O)N 62a_100102525003_100000210202 [0,0,0,0,0,0|3,0,0]=3 306 B8R0.7 CCSCCCC(C)O 62a_100000210202_200000718107 [0,0,0,0,0,0|3,0,1]=4 307 B8R0.7 CCSCCCC(C)O 62a_200000718107_100000210202 [0,0,0,0,0,0|3,0,1]=4 308 B8R0.7 CCSCCNC(=O)C 11a_100000106463_100015343762 [0,0,0,0,0,0|4,0,0]=4 309 B8R0.7 CCSCCNC(=O)C 1626a_100000106463_100015343762 [0,0,0,0,0,0|4,0,0]=4 310 B8R0.7 CCSCCNC(=O)C 240690a_100000106463_100015343762 [0,0,0,0,0,0|4,0,0]=4 311 B8R0.7 CCSCCNC(=O)C 527a_100000106463_100103153847 [0,0,0,0,0,0|4,0,0]=4 312 B8R0.7 CCSCCNC(=O)C 62a_100000189650_100000210202 [0,0,0,0,0,0|4,0,0]=4 313 B8R0.7 CCSCCNC(=O)C 62a_100000210202_100000189650 [0,0,0,0,0,0|4,0,0]=4 314 B8R0.7 CCSCCNC(=O)N 62a_100000210202_200000034859 [0,0,0,0,0,0|4,0,0]=4 315 B8R0.7 CCSCCNC(=O)N 62a_200000034859_100000210202 [0,0,0,0,0,0|4,0,0]=4 316 B8R0.7 CCSCCOC(=O)C 62a_100000210202_100009814007 [0,0,0,0,0,0|4,0,0]=4 317 B8R0.7 CCSCCOC(=O)C 62a_100009814007_100000210202 [0,0,0,0,0,0|4,0,0]=4 318 B8R0.7 CCSCCOC(=O)N 62a_100000210202_200011214921 [0,0,0,0,0,0|4,0,0]=4 319 B8R0.7 CCSCCOC(=O)N 62a_200011214921_100000210202 [0,0,0,0,0,0|4,0,0]=4 320 B8R0.7 CN(C)CCCCCF 2230a_100102631434_100000729378 [0,0,0,0,0,0|4,0,0]=4 321 B8R0.7 CN(C)CCCCCF 269982a_100102631434_100000729378 [0,0,0,0,0,0|4,0,0]=4 322 B8R0.7 CN(C)CCCCCO 2230a_100000722520_200000210301 [0,0,0,0,0,0|4,0,0]=4 323 B8R0.7 CN(C)CCCCCO 2230a_100102631434_100000746330 [0,0,0,0,0,0|4,0,0]=4 324 B8R0.7 CN(C)CCCCCO 269982a_100000722520_200000210301 [0,0,0,0,0,0|4,0,0]=4 325 B8R0.7 CN(C)CCCCCO 269982a_100102631434_100000746330 [0,0,0,0,0,0|4,0,0]=4 326 B8R0.7 CN([13CH3])CCCCCO 2230a_100000722520_200025704644 [0,0,0,0,0,0|4,0,0]=4 327 B8R0.7 CN([13CH3])CCCCCO 269982a_100000722520_200025704644 [0,0,0,0,0,0|4,0,0]=4 328 B8R0.7 CNCCCCB(O)O 2230a_106832991635_200009817182 [0,0,0,0,0,0|3,0,1]=4 329 B8R0.7 CNCCCCB(O)O 34a_100102657272_200009817182 [0,0,0,0,0,0|3,0,1]=4 330 B8R0.7 CNCCCCB(O)O 7a_106832991635_200009817182 [0,0,0,0,0,0|3,0,1]=4 331 B8R0.7 CNCCCCC(=O)C 34a_100102657272_100009817362 [0,0,0,0,0,0|3,0,0]=3 332 B8R0.7 CNCCCCC(=O)C 7a_106832991635_100000735457 [0,0,0,0,0,0|3,0,0]=3 333 B8R0.7 CNCCCCC(=O)N 34a_100000696515_200000210301 [0,0,0,0,0,0|3,0,0]=3 334 B8R0.7 CNCCCNC(=O)C 34a_100000736810_200000210301 [0,0,0,0,0,0|4,0,0]=4 335 B8R0.7 CNCCCOC(=O)C 34a_100102657272_100000042594 [0,0,0,0,0,0|4,0,0]=4 336 B8R0.7 CNCCCOC(=O)C 7a_106832991635_100000042594 [0,0,0,0,0,0|4,0,0]=4 337 B8R0.7 CNCCCSC(=O)C 2230a_106832991635_100000038929 [0,0,0,0,0,0|4,0,0]=4 338 B8R0.7 CNCCCSC(=O)C 34a_100102657272_100000038929 [0,0,0,0,0,0|4,0,0]=4 339 B8R0.7 CNCCCSC(=O)C 7a_106832991635_100000038929 [0,0,0,0,0,0|4,0,0]=4 340 B8R0.7 CNCCOCC(=O)N 2230a_106832991635_100000076697 [0,0,0,0,0,0|4,0,0]=4 341 B8R0.7 CNCCOCC(=O)N 34a_100102657272_100000076697 [0,0,0,0,0,0|4,0,0]=4 342 B8R0.7 CNCCOCC(=O)N 7a_106832991635_100000076697 [0,0,0,0,0,0|4,0,0]=4 343 B8R0.7 CNCCOCC(=O)O 269956a_100000700818_200000210301 [0,0,0,0,0,0|3,0,0]=3 344 B8R0.7 COCCCCB(O)O 34a_100138415774_200009817182 [0,0,0,0,0,0|3,0,1]=4 345 B8R0.7 COCCCCC(=O)C 1458a_100000070787_100000755781 [0,0,0,0,0,0|3,0,0]=3 346 B8R0.7 COCCCCC(=O)C 34a_100138415774_100009817362 [0,0,0,0,0,0|3,0,0]=3 347 B8R0.7 COCCCCC(=O)N 34a_100012022536_200000210301 [0,0,0,0,0,0|3,0,0]=3 348 B8R0.7 COCCCCC(=O)N 7a_100012022536_200000210301 [0,0,0,0,0,0|3,0,0]=3 349 B8R0.7 COCCCC[N+](=O)[O-] 34a_200015379883_200000210301 [0,0,0,0,0,0|3,0,1]=4 350 B8R0.7 COCCCC[N+](=O)[O-] 7a_200015379883_200000210301 [0,0,0,0,0,0|3,0,1]=4 351 B8R0.7 COCCCNC(=O)C 1626a_100150723488_100015343762 [0,0,0,0,0,0|4,0,0]=4 352 B8R0.7 COCCCNC(=O)C 240690a_100150723488_100015343762 [0,0,0,0,0,0|4,0,0]=4 353 B8R0.7 COCCCNC(=O)C 34a_100000752032_200000210301 [0,0,0,0,0,0|4,0,0]=4 354 B8R0.7 COCCCNC(=O)C 527a_100150723488_100103153847 [0,0,0,0,0,0|4,0,0]=4 355 B8R0.7 COCCCOC(=O)C 34a_100138415774_100000042594 [0,0,0,0,0,0|4,0,0]=4 356 B8R0.7 COCCCSC(=O)C 34a_100138415774_100000038929 [0,0,0,0,0,0|4,0,0]=4 357 B8R0.7 COCCNCC(=O)N 2230a_100000209980_100000747473 [0,0,0,0,0,0|4,0,0]=4 358 B8R0.7 COCCNCC(=O)N 2230a_100000711301_100011201679 [0,0,0,0,0,0|4,0,0]=4 359 B8R0.7 COCCNCC(=O)O 269956a_100016091260_100000233755 [0,0,0,0,0,0|3,0,0]=3 360 B8R0.7 COCCOCC(=O)C 1458a_100000211095_200000210301 [0,0,0,0,0,0|4,0,0]=4 361 B8R0.7 COCCOCC(=O)C 34a_100000211253_100011201679 [0,0,0,0,0,0|4,0,0]=4 362 B8R0.7 COCCOCC(=O)N 34a_100000210237_100000187820 [0,0,0,0,0,0|4,0,0]=4 363 B8R0.7 COCCOCC(=O)N 34a_100138415774_100000076697 [0,0,0,0,0,0|4,0,0]=4 364 B8R0.7 COCCOCC(=O)[13CH3] 1458a_100000211095_200025704644 [0,0,0,0,0,0|4,0,0]=4 365 B8R0.7 COCCOCC(=O)[O-] 34a_100000210237_100020667443 [0,0,0,0,0,0|3,0,1]=4 366 B8R0.7 COCCSCC(=O)N 62a_100000233755_100000747473 [0,0,0,0,0,0|4,0,0]=4 367 B8R0.7 COCCSCC(=O)N 62a_100000747473_100000233755 [0,0,0,0,0,0|4,0,0]=4 368 B8R0.7 COCCSCC(=O)[O-] 62a_100000233755_100020667443 [0,0,0,0,0,0|3,0,1]=4 369 B8R0.7 COCCSCC(=O)[O-] 62a_100020667443_100000233755 [0,0,0,0,0,0|3,0,1]=4 370 B8R0.7 COCNOCC(=O)O 269956a_100000106656_100000766300 [0,0,0,0,0,0|4,0,0]=4 371 B8R0.7 COCSCCC(=O)C 62a_100000053229_100000766300 [0,0,0,0,0,0|4,0,0]=4 372 B8R0.7 COCSCCC(=O)C 62a_100000766300_100000053229 [0,0,0,0,0,0|4,0,0]=4 373 B8R0.7 COCSCCC(=O)N 62a_100000744528_100000766300 [0,0,0,0,0,0|4,0,0]=4 374 B8R0.7 COCSCCC(=O)N 62a_100000766300_100000744528 [0,0,0,0,0,0|4,0,0]=4 375 B8R0.7 CSCCCCB(O)O 62a_200000210301_200009817182 [0,0,0,0,0,0|3,0,1]=4 376 B8R0.7 CSCCCCB(O)O 62a_200009817182_200000210301 [0,0,0,0,0,0|3,0,1]=4 377 B8R0.7 CSCCCCC(=O)C 62a_100000735457_200000210301 [0,0,0,0,0,0|3,0,0]=3 378 B8R0.7 CSCCCCC(=O)C 62a_200000210301_100000735457 [0,0,0,0,0,0|3,0,0]=3 379 B8R0.7 CSCCCNC(=O)C 11a_100000749238_100015343762 [0,0,0,0,0,0|4,0,0]=4 380 B8R0.7 CSCCCNC(=O)C 1626a_100000749238_100015343762 [0,0,0,0,0,0|4,0,0]=4 381 B8R0.7 CSCCCNC(=O)C 240690a_100000749238_100015343762 [0,0,0,0,0,0|4,0,0]=4 382 B8R0.7 CSCCCNC(=O)C 527a_100000749238_100103153847 [0,0,0,0,0,0|4,0,0]=4 383 B8R0.7 CSCCCOC(=O)C 62a_100000042594_200000210301 [0,0,0,0,0,0|4,0,0]=4 384 B8R0.7 CSCCCOC(=O)C 62a_200000210301_100000042594 [0,0,0,0,0,0|4,0,0]=4 385 B8R0.7 CSCCCSC(=O)C 62a_100000038929_200000210301 [0,0,0,0,0,0|4,0,0]=4 386 B8R0.7 CSCCCSC(=O)C 62a_200000210301_100000038929 [0,0,0,0,0,0|4,0,0]=4 387 B8R0.7 CSCCNCC(=O)N 2230a_100000711301_100000751147 [0,0,0,0,0,0|4,0,0]=4 388 B8R0.7 CSCCNCC(=O)N 2230a_100020590264_100000747473 [0,0,0,0,0,0|4,0,0]=4 389 B8R0.7 CSCCNCC(=O)O 269956a_100016091260_100000212216 [0,0,0,0,0,0|3,0,0]=3 390 B8R0.7 CSCCOCC(=O)C 34a_100000211253_100000212216 [0,0,0,0,0,0|4,0,0]=4 391 B8R0.7 CSCCOCC(=O)N 34a_100000230434_100000187820 [0,0,0,0,0,0|4,0,0]=4 392 B8R0.7 CSCCOCC(=O)N 62a_100000076697_200000210301 [0,0,0,0,0,0|4,0,0]=4 393 B8R0.7 CSCCOCC(=O)N 62a_200000210301_100000076697 [0,0,0,0,0,0|4,0,0]=4 394 B8R0.7 CSCCOCC(=O)N 7a_100000230434_100000187820 [0,0,0,0,0,0|4,0,0]=4 395 B8R0.7 CSCCOCC(=O)[O-] 34a_100000230434_100020667443 [0,0,0,0,0,0|3,0,1]=4 396 B8R0.7 CSCCSCC(=O)N 62a_100000212216_100000747473 [0,0,0,0,0,0|4,0,0]=4 397 B8R0.7 CSCCSCC(=O)N 62a_100000747473_100000751147 [0,0,0,0,0,0|4,0,0]=4 398 B8R0.7 CSCCSCC(=O)[O-] 62a_100000212216_100020667443 [0,0,0,0,0,0|3,0,1]=4 399 B8R0.7 CSCCSCC(=O)[O-] 62a_100020667443_100000751147 [0,0,0,0,0,0|3,0,1]=4 400 B8R0.7 CSCNOCC(=O)O 269956a_100000106656_100011218213 [0,0,0,0,0,0|4,0,0]=4 401 B8R0.7 CSCOCCC(=O)C 34a_100000759926_100011218213 [0,0,0,0,0,0|4,0,0]=4 402 B8R0.7 CSCOCCC(=O)N 34a_100000757172_100011218213 [0,0,0,0,0,0|4,0,0]=4 403 B8R0.7 CSCSCCC(=O)C 62a_100000053229_100011218213 [0,0,0,0,0,0|4,0,0]=4 404 B8R0.7 CSCSCCC(=O)C 62a_100011218213_100000053229 [0,0,0,0,0,0|4,0,0]=4 405 B8R0.7 CSCSCCC(=O)N 62a_100000744528_100011218213 [0,0,0,0,0,0|4,0,0]=4 406 B8R0.7 CSCSCCC(=O)N 62a_100011218213_100000744528 [0,0,0,0,0,0|4,0,0]=4 407 B8R0.7 C[C@@H](O)CNCCCF 2230a_100015189416_100009817552 [0,0,0,0,0,0|3,0,1]=4 408 B8R0.7 C[C@@H](O)CNCCCF 34a_100015189416_100009817552 [0,0,0,0,0,0|3,0,1]=4 409 B8R0.7 C[C@@H](O)COCCCBr 34a_100011217188_100009817552 [0,0,0,0,0,0|3,0,1]=4 410 B8R0.7 C[C@@H](O)COCCCCl 34a_100000230001_100009817552 [0,0,0,0,0,0|3,0,1]=4 411 B8R0.7 C[C@@H](O)COCCCF 34a_100000759539_100009817552 [0,0,0,0,0,0|3,0,1]=4 412 B8R0.7 C[C@@H](O)COCCCN 34a_100000182051_100009817552 [0,0,0,0,0,0|2,0,1]=3 413 B8R0.7 C[C@@H](O)COCCON 34a_100000700252_100009817552 [0,0,0,0,0,0|3,0,1]=4 414 B8R0.7 C[C@@H](O)CSCCCF 62a_100009817552_100011934791 [0,0,0,0,0,0|3,0,1]=4 415 B8R0.7 C[C@@H](O)CSCCCF 62a_100011934791_100009817552 [0,0,0,0,0,0|3,0,1]=4 416 B8R0.7 C[C@@H](O)CSCCCO 62a_100009817552_100011215043 [0,0,0,0,0,0|3,0,1]=4 417 B8R0.7 C[C@@H](O)CSCCCO 62a_100011215043_100009817552 [0,0,0,0,0,0|3,0,1]=4 418 B8R0.7 N#CCCNCC(=O)N 2230a_100000711301_100011215226 [0,0,0,0,0,0|2,0,2]=4 419 B8R0.7 N#CCCNCC(=O)O 269956a_100016091260_100011215226 [0,0,0,0,0,0|1,0,2]=3 420 B8R0.7 N#CCCSCC(=O)N 62a_100000747473_100011215226 [0,0,0,0,0,0|2,0,2]=4 421 B8R0.7 N#CCCSCC(=O)N 62a_100011215226_100000747473 [0,0,0,0,0,0|2,0,2]=4 422 B8R0.7 N#CCCSCC(=O)[O-] 62a_100011215226_100020667443 [0,0,0,0,0,0|1,0,3]=4 423 B8R0.7 N#CCCSCC(=O)[O-] 62a_100020667443_100011215226 [0,0,0,0,0,0|1,0,3]=4 424 B8R0.7 N#CCNOCC(=O)O 269956a_100000106656_100011215382 [0,0,0,0,0,0|2,0,2]=4 425 B8R0.7 N#CCOCCC(=O)N 7a_100000757172_100011215382 [0,0,0,0,0,0|2,0,2]=4 426 B8R0.7 N#CCSCCC(=O)N 62a_100000744528_100011215382 [0,0,0,0,0,0|2,0,2]=4 427 B8R0.7 N#CCSCCC(=O)N 62a_100011215382_100000744528 [0,0,0,0,0,0|2,0,2]=4 428 B8R0.7 N#CSCNCC(=O)O 269956a_100016091260_100000211825 [0,0,0,0,0,0|2,0,2]=4 429 B8R0.7 NC(=O)CCCNCF 34a_100000739312_100015361967 [0,0,0,0,0,0|3,0,0]=3 430 B8R0.7 NC(=O)CCCSCF 62a_100015361967_100102525003 [0,0,0,0,0,0|3,0,0]=3 431 B8R0.7 NC(=O)CCCSCF 62a_100102525003_100015361967 [0,0,0,0,0,0|3,0,0]=3 432 B8R0.7 NC(=O)CCNCCF 34a_100000724931_100000731001 [0,0,0,0,0,0|3,0,0]=3 433 B8R0.7 NC(=O)CCNCCO 2230a_100016997473_100000744528 [0,0,0,0,0,0|3,0,0]=3 434 B8R0.7 NC(=O)CCNCCO 34a_100016990907_100000731001 [0,0,0,0,0,0|3,0,0]=3 435 B8R0.7 NC(=O)CCOCC=O 34a_100000757172_200009817547 [0,0,0,0,0,0|3,0,1]=4 436 B8R0.7 NC(=O)CCOCC=O 7a_100000757172_200015260668 [0,0,0,0,0,0|3,0,1]=4 437 B8R0.7 NC(=O)CCOCCBr 34a_100000211926_100000731001 [0,0,0,0,0,0|3,0,0]=3 438 B8R0.7 NC(=O)CCOCCF 34a_100000757172_100011217306 [0,0,0,0,0,0|3,0,0]=3 439 B8R0.7 NC(=O)CCOCCF 7a_100000757172_100011217306 [0,0,0,0,0,0|3,0,0]=3 440 B8R0.7 NC(=O)CCOCCO 34a_100000757172_100000211926 [0,0,0,0,0,0|3,0,0]=3 441 B8R0.7 NC(=O)CCOCCO 7a_100000757172_100000211926 [0,0,0,0,0,0|3,0,0]=3 442 B8R0.7 NC(=O)CCSCC=O 62a_100000744528_200015260668 [0,0,0,0,0,0|3,0,1]=4 443 B8R0.7 NC(=O)CCSCC=O 62a_200015260668_100000744528 [0,0,0,0,0,0|3,0,1]=4 444 B8R0.7 NC(=O)CCSCCF 62a_100000744528_100011217306 [0,0,0,0,0,0|3,0,0]=3 445 B8R0.7 NC(=O)CCSCCF 62a_100011217306_100000744528 [0,0,0,0,0,0|3,0,0]=3 446 B8R0.7 NC(=O)CCSCCO 62a_100000211926_100000744528 [0,0,0,0,0,0|3,0,0]=3 447 B8R0.7 NC(=O)CCSCCO 62a_100000744528_100000211926 [0,0,0,0,0,0|3,0,0]=3 448 B8R0.7 NC(=O)CNCCCF 2230a_100000711301_100011934791 [0,0,0,0,0,0|3,0,0]=3 449 B8R0.7 NC(=O)CNCCCF 2230a_100015189416_100000747473 [0,0,0,0,0,0|3,0,0]=3 450 B8R0.7 NC(=O)CNCCCF 34a_100015189416_100000187820 [0,0,0,0,0,0|3,0,0]=3 451 B8R0.7 NC(=O)CNCCCO 2230a_100000711301_100000230001 [0,0,0,0,0,0|3,0,0]=3 452 B8R0.7 NC(=O)COCCCBr 34a_100011217188_100000187820 [0,0,0,0,0,0|3,0,0]=3 453 B8R0.7 NC(=O)COCCCCl 34a_100000230001_100000187820 [0,0,0,0,0,0|3,0,0]=3 454 B8R0.7 NC(=O)COCCCF 34a_100000759539_100000187820 [0,0,0,0,0,0|3,0,0]=3 455 B8R0.7 NC(=O)CSCCCF 62a_100000747473_100011934791 [0,0,0,0,0,0|3,0,0]=3 456 B8R0.7 NC(=O)CSCCCF 62a_100011934791_100000747473 [0,0,0,0,0,0|3,0,0]=3 457 B8R0.7 NC(=O)CSCCCO 62a_100000747473_100011215043 [0,0,0,0,0,0|3,0,0]=3 458 B8R0.7 NC(=O)CSCCCO 62a_100011215043_100000747473 [0,0,0,0,0,0|3,0,0]=3 459 B8R0.7 NC(=O)NCCNCF 34a_100020590234_100015361967 [0,0,0,0,0,0|4,0,0]=4 460 B8R0.7 NC(=O)NCCOCF 34a_100000181757_100015361967 [0,0,0,0,0,0|4,0,0]=4 461 B8R0.7 NC(=O)NCCSCF 62a_100015361967_200000034859 [0,0,0,0,0,0|4,0,0]=4 462 B8R0.7 NC(=O)NCCSCF 62a_200000034859_100015361967 [0,0,0,0,0,0|4,0,0]=4 463 B8R0.7 NC(=O)OCCOCF 7a_100000766696_100015361967 [0,0,0,0,0,0|4,0,0]=4 464 B8R0.7 NC(=O)OCCSCF 62a_100015361967_200011214921 [0,0,0,0,0,0|4,0,0]=4 465 B8R0.7 NC(=O)OCCSCF 62a_200011214921_100015361967 [0,0,0,0,0,0|4,0,0]=4 466 B8R0.7 NCCCOCC(=O)N 34a_100000182051_100000187820 [0,0,0,0,0,0|2,0,0]=2 467 B8R0.7 NCCCOCC(=O)[O-] 34a_100000182051_100020667443 [0,0,0,0,0,0|1,0,1]=2 468 B8R0.7 NCCCOCC(F)F 34a_100000182051_100011934356 [0,0,0,0,0,0|3,0,1]=4 469 B8R0.7 NCCCOC[N+](=O)[O-] 34a_100000182051_100000761209 [0,0,0,0,0,0|2,0,1]=3 470 B8R0.7 NCCOCCC(=O)N 34a_100000210304_100000731001 [0,0,0,0,0,0|2,0,0]=2 471 B8R0.7 NOCCOCC(=O)N 34a_100000700252_100000187820 [0,0,0,0,0,0|3,0,0]=3 472 B8R0.7 NOCCOCC(=O)[O-] 34a_100000700252_100020667443 [0,0,0,0,0,0|2,0,1]=3 473 B8R0.7 NOCCOC[N+](=O)[O-] 34a_100000700252_100000761209 [0,0,0,0,0,0|3,0,1]=4 474 B8R0.7 O=C(O)CNCCCF 269956a_100016091260_100011934791 [0,0,0,0,0,0|2,0,0]=2 475 B8R0.7 O=C(O)CNCCCO 269956a_100016091260_100011215043 [0,0,0,0,0,0|2,0,0]=2 476 B8R0.7 O=C(O)CONCCF 269956a_100000106656_100011217306 [0,0,0,0,0,0|3,0,0]=3 477 B8R0.7 O=C(O)CONCCO 269956a_100000106656_100000211926 [0,0,0,0,0,0|3,0,0]=3 478 B8R0.7 O=C([O-])CNCCCF 34a_100015189416_100020667443 [0,0,0,0,0,0|2,0,1]=3 479 B8R0.7 O=C([O-])COCCCBr 34a_100011217188_100020667443 [0,0,0,0,0,0|2,0,1]=3 480 B8R0.7 O=C([O-])COCCCCl 34a_100000230001_100020667443 [0,0,0,0,0,0|2,0,1]=3 481 B8R0.7 O=C([O-])COCCCF 34a_100000759539_100020667443 [0,0,0,0,0,0|2,0,1]=3 482 B8R0.7 O=C([O-])CSCCCF 62a_100011934791_100020667443 [0,0,0,0,0,0|2,0,1]=3 483 B8R0.7 O=C([O-])CSCCCF 62a_100020667443_100011934791 [0,0,0,0,0,0|2,0,1]=3 484 B8R0.7 O=C([O-])CSCCCO 62a_100011215043_100020667443 [0,0,0,0,0,0|2,0,1]=3 485 B8R0.7 O=C([O-])CSCCCO 62a_100020667443_100011215043 [0,0,0,0,0,0|2,0,1]=3 486 B8R0.7 O=CCNOCC(=O)O 269956a_100000106656_200015260668 [0,0,0,0,0,0|3,0,1]=4 487 B8R0.7 O=[N+]([O-])CCCOCF 34a_200000037920_100015361967 [0,0,0,0,0,0|3,0,1]=4 488 B8R0.7 O=[N+]([O-])CNCCCF 34a_100015189416_100000761209 [0,0,0,0,0,0|3,0,1]=4 489 B8R0.7 O=[N+]([O-])COCCCBr 34a_100011217188_100000761209 [0,0,0,0,0,0|3,0,1]=4 490 B8R0.7 O=[N+]([O-])COCCCCl 34a_100000230001_100000761209 [0,0,0,0,0,0|3,0,1]=4 491 B8R0.7 O=[N+]([O-])COCCCF 34a_100000759539_100000761209 [0,0,0,0,0,0|3,0,1]=4 492 B8R0.7 O=[N+]([O-])CSCCCF 62a_100011934791_100000761209 [0,0,0,0,0,0|3,0,1]=4 493 B8R0.7 O=[N+]([O-])CSCCCO 62a_100011215043_100000761209 [0,0,0,0,0,0|3,0,1]=4 494 B8R0.7 [13CH3]C(=O)CCCCCO 1458a_100102619762_200025704644 [0,0,0,0,0,0|2,0,0]=2 495 B8R0.7 [13CH3]C(=O)CCCN=[N+]=[N-] 1458a_100010262590_200025704644 [0,0,0,0,0,0|3,0,1]=4 496 B8R0.7 [13CH3]C(=O)CCOCCO 1458a_100011229844_200025704644 [0,0,0,0,0,0|3,0,0]=3 497 B8R0.7 [13CH3]NCCCCC(=O)N 34a_100000696515_200025704644 [0,0,0,0,0,0|3,0,0]=3 498 B8R0.7 [13CH3]NCCOCC(=O)O 269956a_100000700818_200025704644 [0,0,0,0,0,0|3,0,0]=3 499 B8R0.7 [13CH3]OCCCCC(=O)N 34a_100012022536_200025704644 [0,0,0,0,0,0|3,0,0]=3 500 B8R0.7 [13CH3]OCCCCC(=O)N 7a_100012022536_200025704644 [0,0,0,0,0,0|3,0,0]=3 501 B8R0.7 [13CH3]OCCCC[N+](=O)[O-] 34a_200015379883_200025704644 [0,0,0,0,0,0|3,0,1]=4 502 B8R0.7 [13CH3]OCCCC[N+](=O)[O-] 7a_200015379883_200025704644 [0,0,0,0,0,0|3,0,1]=4 503 B8R0.7 [13CH3]SCCCCB(O)O 62a_200009817182_200025704644 [0,0,0,0,0,0|3,0,1]=4 504 B8R0.7 [13CH3]SCCCCB(O)O 62a_200025704644_200009817182 [0,0,0,0,0,0|3,0,1]=4 505 B8R0.7 [13CH3]SCCOCC(=O)N 62a_100000076697_200025704644 [0,0,0,0,0,0|4,0,0]=4 506 B8R0.7 [13CH3]SCCOCC(=O)N 62a_200025704644_100000076697 [0,0,0,0,0,0|4,0,0]=4 507 B7R0.1 C#CCCNCC=O 34a_100000755551_200009817547 [1,0,0,0,0,0|2,0,1]=4 508 B7R0.1 C#CCCOCC=O 34a_100011215631_200009817547 [1,0,0,0,0,0|2,0,1]=4 509 B7R0.1 C#CCCOCCN 34a_100000210304_100000688953 [1,0,0,0,0,0|2,0,1]=4 510 B7R0.1 C#CCCSCC=O 62a_100000688953_200015260668 [1,0,0,0,0,0|2,0,1]=4 511 B7R0.1 C#CCCSCC=O 62a_200015260668_100000688953 [1,0,0,0,0,0|2,0,1]=4 512 B7R0.1 C#CCOCCCN 34a_100000182051_100000184674 [1,0,0,0,0,0|2,0,1]=4 513 B7R0.1 C/C=C/COCCN 34a_100000210304_100102629194 [1,0,0,0,0,0|2,0,1]=4 514 B7R0.1 C=CCCCCNC 2230a_100000703577_200000210301 [1,0,0,0,0,0|3,0,0]=4 515 B7R0.1 C=CCCCCNC 2230a_106832991635_100011215482 [1,0,0,0,0,0|3,0,0]=4 516 B7R0.1 C=CCCCCNC 34a_100000703577_200000210301 [1,0,0,0,0,0|3,0,0]=4 517 B7R0.1 C=CCCCCNC 34a_100102657272_100011215482 [1,0,0,0,0,0|3,0,0]=4 518 B7R0.1 C=CCCCCNC 7a_106832991635_100011215482 [1,0,0,0,0,0|3,0,0]=4 519 B7R0.1 C=CCCCCN[13CH3] 2230a_100000703577_200025704644 [1,0,0,0,0,0|3,0,0]=4 520 B7R0.1 C=CCCCCN[13CH3] 34a_100000703577_200025704644 [1,0,0,0,0,0|3,0,0]=4 521 B7R0.1 C=CCCCCOC 34a_100000766645_200000210301 [1,0,0,0,0,0|3,0,0]=4 522 B7R0.1 C=CCCCCOC 34a_100138415774_100011215482 [1,0,0,0,0,0|3,0,0]=4 523 B7R0.1 C=CCCCCOC 7a_100000766645_200000210301 [1,0,0,0,0,0|3,0,0]=4 524 B7R0.1 C=CCCCCO[13CH3] 34a_100000766645_200025704644 [1,0,0,0,0,0|3,0,0]=4 525 B7R0.1 C=CCCCCO[13CH3] 7a_100000766645_200025704644 [1,0,0,0,0,0|3,0,0]=4 526 B7R0.1 C=CCCCCSC 62a_100011215482_200000210301 [1,0,0,0,0,0|3,0,0]=4 527 B7R0.1 C=CCCCCSC 62a_200000210301_100011215482 [1,0,0,0,0,0|3,0,0]=4 528 B7R0.1 C=CCCCCS[13CH3] 62a_100011215482_200025704644 [1,0,0,0,0,0|3,0,0]=4 529 B7R0.1 C=CCCCCS[13CH3] 62a_200025704644_100011215482 [1,0,0,0,0,0|3,0,0]=4 530 B7R0.1 C=CCCCNCC 2230a_100000700776_100000210202 [1,0,0,0,0,0|3,0,0]=4 531 B7R0.1 C=CCCCNCC 2230a_100015525214_100011713584 [1,0,0,0,0,0|3,0,0]=4 532 B7R0.1 C=CCCCNCC 34a_100000700776_100000210202 [1,0,0,0,0,0|3,0,0]=4 533 B7R0.1 C=CCCCNCF 34a_100000700776_100015361967 [1,0,0,0,0,0|3,0,0]=4 534 B7R0.1 C=CCCCOCC 34a_100000758997_100000210202 [1,0,0,0,0,0|3,0,0]=4 535 B7R0.1 C=CCCCOCC 34a_100121572206_100000757094 [1,0,0,0,0,0|3,0,0]=4 536 B7R0.1 C=CCCCOCC 7a_100000758997_100000210202 [1,0,0,0,0,0|3,0,0]=4 537 B7R0.1 C=CCCCOCF 34a_100000758997_100015361967 [1,0,0,0,0,0|3,0,0]=4 538 B7R0.1 C=CCCCOCF 7a_100000758997_100015361967 [1,0,0,0,0,0|3,0,0]=4 539 B7R0.1 C=CCCCSCC 62a_100000210202_100000757094 [1,0,0,0,0,0|3,0,0]=4 540 B7R0.1 C=CCCCSCC 62a_100011713584_100000210202 [1,0,0,0,0,0|3,0,0]=4 541 B7R0.1 C=CCCCSCF 62a_100011713584_100015361967 [1,0,0,0,0,0|3,0,0]=4 542 B7R0.1 C=CCCCSCF 62a_100015361967_100000757094 [1,0,0,0,0,0|3,0,0]=4 543 B7R0.1 C=CCCNCC=O 2230a_100015191253_200015260668 [1,0,0,0,0,0|2,0,1]=4 544 B7R0.1 C=CCCNCCC 2230a_100015191253_100000210303 [1,0,0,0,0,0|3,0,0]=4 545 B7R0.1 C=CCCNCCF 2230a_100015191253_100011217306 [1,0,0,0,0,0|3,0,0]=4 546 B7R0.1 C=CCCNCCF 34a_100000724931_100000754431 [1,0,0,0,0,0|3,0,0]=4 547 B7R0.1 C=CCCNCCO 2230a_100015191253_100000211926 [1,0,0,0,0,0|3,0,0]=4 548 B7R0.1 C=CCCNCCO 2230a_100016997473_100000754431 [1,0,0,0,0,0|3,0,0]=4 549 B7R0.1 C=CCCNCCO 34a_100016990907_100000754431 [1,0,0,0,0,0|3,0,0]=4 550 B7R0.1 C=CCCOCC=O 34a_100011205117_200009817547 [1,0,0,0,0,0|2,0,1]=4 551 B7R0.1 C=CCCOCCBr 34a_100000211926_100000754431 [1,0,0,0,0,0|3,0,0]=4 552 B7R0.1 C=CCCOCCC 34a_100000210258_100000754431 [1,0,0,0,0,0|3,0,0]=4 553 B7R0.1 C=CCCOCCC 34a_100011205117_100000210303 [1,0,0,0,0,0|3,0,0]=4 554 B7R0.1 C=CCCOCCF 34a_100011205117_100011217306 [1,0,0,0,0,0|3,0,0]=4 555 B7R0.1 C=CCCOCCN 34a_100000210304_100000754431 [1,0,0,0,0,0|2,0,0]=3 556 B7R0.1 C=CCCOCCO 34a_100011205117_100000211926 [1,0,0,0,0,0|3,0,0]=4 557 B7R0.1 C=CCCSCC=O 62a_100000754431_200015260668 [1,0,0,0,0,0|2,0,1]=4 558 B7R0.1 C=CCCSCC=O 62a_200015260668_100000754431 [1,0,0,0,0,0|2,0,1]=4 559 B7R0.1 C=CCCSCCC 62a_100000210303_100000754431 [1,0,0,0,0,0|3,0,0]=4 560 B7R0.1 C=CCCSCCC 62a_100000754431_100000210303 [1,0,0,0,0,0|3,0,0]=4 561 B7R0.1 C=CCCSCCF 62a_100000754431_100011217306 [1,0,0,0,0,0|3,0,0]=4 562 B7R0.1 C=CCCSCCF 62a_100011217306_100000754431 [1,0,0,0,0,0|3,0,0]=4 563 B7R0.1 C=CCCSCCO 62a_100000211926_100000754431 [1,0,0,0,0,0|3,0,0]=4 564 B7R0.1 C=CCCSCCO 62a_100000754431_100000211926 [1,0,0,0,0,0|3,0,0]=4 565 B7R0.1 C=CCNCCCC 2230a_100000102301_100000210623 [1,0,0,0,0,0|3,0,0]=4 566 B7R0.1 C=CCNCCCC 2230a_100020586998_100000210211 [1,0,0,0,0,0|3,0,0]=4 567 B7R0.1 C=CCNCCCC 7a_106832991798_100015514636 [1,0,0,0,0,0|3,0,0]=4 568 B7R0.1 C=CCNCCCF 2230a_100015189416_100000210623 [1,0,0,0,0,0|3,0,0]=4 569 B7R0.1 C=CCNCCCF 2230a_100020586998_100011934791 [1,0,0,0,0,0|3,0,0]=4 570 B7R0.1 C=CCNCCCF 34a_100015189416_100015514636 [1,0,0,0,0,0|3,0,0]=4 571 B7R0.1 C=CCNCCCO 2230a_100020586998_100000230001 [1,0,0,0,0,0|3,0,0]=4 572 B7R0.1 C=CCOCCCBr 34a_100011217188_100015514636 [1,0,0,0,0,0|3,0,0]=4 573 B7R0.1 C=CCOCCCC 34a_100000210227_100015514636 [1,0,0,0,0,0|3,0,0]=4 574 B7R0.1 C=CCOCCCC 34a_200000210373_100000210210 [1,0,0,0,0,0|3,0,0]=4 575 B7R0.1 C=CCOCCCC 7a_100000210227_100015514636 [1,0,0,0,0,0|3,0,0]=4 576 B7R0.1 C=CCOCCCCl 34a_100000230001_100015514636 [1,0,0,0,0,0|3,0,0]=4 577 B7R0.1 C=CCOCCCF 34a_100000759539_100015514636 [1,0,0,0,0,0|3,0,0]=4 578 B7R0.1 C=CCOCCCF 34a_200000210373_100011934791 [1,0,0,0,0,0|3,0,0]=4 579 B7R0.1 C=CCOCCCN 34a_100000182051_100015514636 [1,0,0,0,0,0|2,0,0]=3 580 B7R0.1 C=CCOCCCO 34a_200000210373_100000230001 [1,0,0,0,0,0|3,0,0]=4 581 B7R0.1 C=CCOCCON 34a_100000700252_100015514636 [1,0,0,0,0,0|3,0,0]=4 582 B7R0.1 C=CCSCCCC 62a_100000210211_100000210623 [1,0,0,0,0,0|3,0,0]=4 583 B7R0.1 C=CCSCCCC 62a_100000210623_100000210210 [1,0,0,0,0,0|3,0,0]=4 584 B7R0.1 C=CCSCCCF 62a_100000210623_100011934791 [1,0,0,0,0,0|3,0,0]=4 585 B7R0.1 C=CCSCCCF 62a_100011934791_100000210623 [1,0,0,0,0,0|3,0,0]=4 586 B7R0.1 C=CCSCCCO 62a_100000210623_100011215043 [1,0,0,0,0,0|3,0,0]=4 587 B7R0.1 C=CCSCCCO 62a_100011215043_100000210623 [1,0,0,0,0,0|3,0,0]=4 588 B7R0.1 CC=CCOCCN 34a_100000210304_100000070051 [1,0,0,0,0,0|2,0,1]=4 589 B7R0.1 CCCCCCNC 2230a_100000210581_200000210301 [1,0,0,0,0,0|3,0,0]=4 590 B7R0.1 CCCCCCNC 2230a_106832991635_100000210314 [1,0,0,0,0,0|3,0,0]=4 591 B7R0.1 CCCCCCNC 34a_100102657272_100000210314 [1,0,0,0,0,0|3,0,0]=4 592 B7R0.1 CCCCCCNC 7a_106832991635_100000210314 [1,0,0,0,0,0|3,0,0]=4 593 B7R0.1 CCCCCCN[13CH3] 2230a_100000210581_200025704644 [1,0,0,0,0,0|3,0,0]=4 594 B7R0.1 CCCCCCOC 34a_100000210259_200000210301 [1,0,0,0,0,0|3,0,0]=4 595 B7R0.1 CCCCCCOC 34a_100138415774_100000210314 [1,0,0,0,0,0|3,0,0]=4 596 B7R0.1 CCCCCCOC 7a_100000210259_200000210301 [1,0,0,0,0,0|3,0,0]=4 597 B7R0.1 CCCCCCO[13CH3] 34a_100000210259_200025704644 [1,0,0,0,0,0|3,0,0]=4 598 B7R0.1 CCCCCCO[13CH3] 7a_100000210259_200025704644 [1,0,0,0,0,0|3,0,0]=4 599 B7R0.1 CCCCCCSC 62a_100000210314_200000210301 [1,0,0,0,0,0|3,0,0]=4 600 B7R0.1 CCCCCCSC 62a_200000210301_100000210757 [1,0,0,0,0,0|3,0,0]=4 601 B7R0.1 CCCCCCS[13CH3] 62a_100000210314_200025704644 [1,0,0,0,0,0|3,0,0]=4 602 B7R0.1 CCCCCCS[13CH3] 62a_200025704644_100000210757 [1,0,0,0,0,0|3,0,0]=4 603 B7R0.1 CCCCNCC=O 2230a_100000102301_200015260668 [1,0,0,0,0,0|2,0,0]=3 604 B7R0.1 CCCCNCC=O 7a_106832991798_200015260668 [1,0,0,0,0,0|2,0,0]=3 605 B7R0.1 CCCCNCCO 2230a_100000102301_100000211926 [1,0,0,0,0,0|2,0,1]=4 606 B7R0.1 CCCCNCCO 2230a_100016997473_100000210211 [1,0,0,0,0,0|2,0,1]=4 607 B7R0.1 CCCCNCCO 34a_100016990907_100000210210 [1,0,0,0,0,0|2,0,1]=4 608 B7R0.1 CCCCNCCO 7a_106832991798_100000211926 [1,0,0,0,0,0|2,0,1]=4 609 B7R0.1 CCCCOCC=O 34a_100000210227_200009817547 [1,0,0,0,0,0|2,0,0]=3 610 B7R0.1 CCCCOCC=O 7a_100000210227_200015260668 [1,0,0,0,0,0|2,0,0]=3 611 B7R0.1 CCCCOCCN 34a_100000210304_100000210210 [1,0,0,0,0,0|2,0,1]=4 612 B7R0.1 CCCCOCCO 34a_100000210227_100000211926 [1,0,0,0,0,0|2,0,1]=4 613 B7R0.1 CCCCOCCO 7a_100000210227_100000211926 [1,0,0,0,0,0|2,0,1]=4 614 B7R0.1 CCCCSCC=O 62a_100000210211_200015260668 [1,0,0,0,0,0|2,0,0]=3 615 B7R0.1 CCCCSCC=O 62a_200015260668_100000210210 [1,0,0,0,0,0|2,0,0]=3 616 B7R0.1 CCCCSCCO 62a_100000210211_100000211926 [1,0,0,0,0,0|2,0,1]=4 617 B7R0.1 CCCCSCCO 62a_100000211926_100000210210 [1,0,0,0,0,0|2,0,1]=4 618 B7R0.1 CCCOCCCN 34a_100000182051_100000210303 [1,0,0,0,0,0|2,0,1]=4 619 B7R0.1 CCCOCCCO 34a_100000210258_100000230001 [1,0,0,0,0,0|2,0,1]=4 620 B7R0.1 CCCSCCCO 62a_100000210303_100011215043 [1,0,0,0,0,0|2,0,1]=4 621 B7R0.1 CCCSCCCO 62a_100011215043_100000210303 [1,0,0,0,0,0|2,0,1]=4 622 B7R0.1 CCNCCCC=O 2230a_100015525214_200011292268 [1,0,0,0,0,0|2,0,0]=3 623 B7R0.1 CCNCCCCO 2230a_100000750430_100000210202 [1,0,0,0,0,0|2,0,1]=4 624 B7R0.1 CCNCCCCO 2230a_100015525214_100000210776 [1,0,0,0,0,0|2,0,1]=4 625 B7R0.1 CCNCCCCO 34a_100000750430_100000210202 [1,0,0,0,0,0|2,0,1]=4 626 B7R0.1 CCOCCCCN 34a_100000750430_100000210202 [1,0,0,0,0,0|2,0,1]=4 627 B7R0.1 CCOCCCCO 34a_100121572206_100011216708 [1,0,0,0,0,0|2,0,1]=4 628 B7R0.1 CCOCSCC=O 62a_100000739092_200015260668 [1,0,0,0,0,0|3,0,0]=4 629 B7R0.1 CCOCSCC=O 62a_200015260668_100000739092 [1,0,0,0,0,0|3,0,0]=4 630 B7R0.1 CCSCCCC=O 62a_100000210202_200011292268 [1,0,0,0,0,0|2,0,0]=3 631 B7R0.1 CCSCCCC=O 62a_200011292268_100000210202 [1,0,0,0,0,0|2,0,0]=3 632 B7R0.1 CCSCCCCO 62a_100000210202_100000210776 [1,0,0,0,0,0|2,0,1]=4 633 B7R0.1 CCSCCCCO 62a_100000210776_100000210202 [1,0,0,0,0,0|2,0,1]=4 634 B7R0.1 CNCCCCC=O 2230a_106832991635_100000139335 [1,0,0,0,0,0|2,0,0]=3 635 B7R0.1 CNCCCCC=O 7a_106832991635_100000139335 [1,0,0,0,0,0|2,0,0]=3 636 B7R0.1 CNCCCCCF 2230a_106832991635_100000729378 [1,0,0,0,0,0|3,0,0]=4 637 B7R0.1 CNCCCCCF 34a_100102657272_100000729378 [1,0,0,0,0,0|3,0,0]=4 638 B7R0.1 CNCCCCCF 7a_106832991635_100000729378 [1,0,0,0,0,0|3,0,0]=4 639 B7R0.1 CNCCCCCO 2230a_100000762737_200000210301 [1,0,0,0,0,0|2,0,1]=4 640 B7R0.1 CNCCCCCO 2230a_106832991635_100000746330 [1,0,0,0,0,0|2,0,1]=4 641 B7R0.1 CNCCCCCO 34a_100000762737_200000210301 [1,0,0,0,0,0|2,0,1]=4 642 B7R0.1 CNCCCCCO 34a_100102657272_100000746330 [1,0,0,0,0,0|2,0,1]=4 643 B7R0.1 CNCCCCCO 7a_106832991635_100000746330 [1,0,0,0,0,0|2,0,1]=4 644 B7R0.1 COCCCCCBr 34a_100000746331_200000210301 [1,0,0,0,0,0|3,0,0]=4 645 B7R0.1 COCCCCCBr 7a_100000746331_200000210301 [1,0,0,0,0,0|3,0,0]=4 646 B7R0.1 COCCCCCCl 34a_100000746330_200000210301 [1,0,0,0,0,0|3,0,0]=4 647 B7R0.1 COCCCCCCl 7a_100000746330_200000210301 [1,0,0,0,0,0|3,0,0]=4 648 B7R0.1 COCCCCCF 34a_100138415774_100000729378 [1,0,0,0,0,0|3,0,0]=4 649 B7R0.1 COCCCCCI 34a_200012148887_200000210301 [1,0,0,0,0,0|3,0,0]=4 650 B7R0.1 COCCCCCI 7a_200012148887_200000210301 [1,0,0,0,0,0|3,0,0]=4 651 B7R0.1 COCCCCCN 34a_100000762737_200000210301 [1,0,0,0,0,0|2,0,0]=3 652 B7R0.1 COCCCCCO 34a_100138415774_100000746330 [1,0,0,0,0,0|2,0,1]=4 653 B7R0.1 COCCNCC=O 2230a_100000209980_200015260668 [1,0,0,0,0,0|3,0,0]=4 654 B7R0.1 COCCOCC=O 34a_100000210237_200009817547 [1,0,0,0,0,0|3,0,0]=4 655 B7R0.1 COCCOCCN 34a_100000210304_100011201679 [1,0,0,0,0,0|3,0,0]=4 656 B7R0.1 COCCOCCN 34a_100000211614_200000210301 [1,0,0,0,0,0|3,0,0]=4 657 B7R0.1 COCCSCC=O 62a_100000233755_200015260668 [1,0,0,0,0,0|3,0,0]=4 658 B7R0.1 COCCSCC=O 62a_200015260668_100000233755 [1,0,0,0,0,0|3,0,0]=4 659 B7R0.1 CSCCCCC=O 62a_100000139335_200000210301 [1,0,0,0,0,0|2,0,0]=3 660 B7R0.1 CSCCCCC=O 62a_200000210301_100000139335 [1,0,0,0,0,0|2,0,0]=3 661 B7R0.1 CSCCCCCF 62a_100000729378_200000210301 [1,0,0,0,0,0|3,0,0]=4 662 B7R0.1 CSCCCCCF 62a_200000210301_100000729378 [1,0,0,0,0,0|3,0,0]=4 663 B7R0.1 CSCCCCCO 62a_100000746330_200000210301 [1,0,0,0,0,0|2,0,1]=4 664 B7R0.1 CSCCCCCO 62a_200000210301_100000746330 [1,0,0,0,0,0|2,0,1]=4 665 B7R0.1 CSCCNCC=O 2230a_100020590264_200015260668 [1,0,0,0,0,0|3,0,0]=4 666 B7R0.1 CSCCOCC=O 34a_100000230434_200009817547 [1,0,0,0,0,0|3,0,0]=4 667 B7R0.1 CSCCOCC=O 7a_100000230434_200015260668 [1,0,0,0,0,0|3,0,0]=4 668 B7R0.1 CSCCOCCN 34a_100000210304_100000212216 [1,0,0,0,0,0|3,0,0]=4 669 B7R0.1 CSCCSCC=O 62a_100000212216_200015260668 [1,0,0,0,0,0|3,0,0]=4 670 B7R0.1 CSCCSCC=O 62a_200015260668_100000751147 [1,0,0,0,0,0|3,0,0]=4 671 B7R0.1 CSCOCCCN 34a_100000182051_100011218213 [1,0,0,0,0,0|3,0,0]=4 672 B7R0.1 N#CCCSCC=O 62a_100011215226_200015260668 [1,0,0,0,0,0|1,0,2]=4 673 B7R0.1 N#CCCSCC=O 62a_200015260668_100011215226 [1,0,0,0,0,0|1,0,2]=4 674 B7R0.1 NCCCCOCF 34a_100000750430_100015361967 [1,0,0,0,0,0|2,0,1]=4 675 B7R0.1 NCCCOCC=O 34a_100000182051_200009817547 [1,0,0,0,0,0|1,0,0]=2 676 B7R0.1 NCCCOCCF 34a_100000182051_100011217306 [1,0,0,0,0,0|2,0,1]=4 677 B7R0.1 NCCCOCCO 34a_100000182051_100000211926 [1,0,0,0,0,0|1,0,1]=3 678 B7R0.1 NCCOCCCF 34a_100000210304_100011934791 [1,0,0,0,0,0|2,0,1]=4 679 B7R0.1 NCCOCCCO 34a_100000210304_100000230001 [1,0,0,0,0,0|1,0,1]=3 680 B7R0.1 NOCCOCC=O 34a_100000700252_200009817547 [1,0,0,0,0,0|2,0,0]=3 681 B7R0.1 NOCCOCCO 34a_100000700252_100000211926 [1,0,0,0,0,0|2,0,1]=4 682 B7R0.1 O=CCCCSCF 62a_100015361967_200011292268 [1,0,0,0,0,0|2,0,0]=3 683 B7R0.1 O=CCCCSCF 62a_200011292268_100015361967 [1,0,0,0,0,0|2,0,0]=3 684 B7R0.1 O=CCNCCCF 2230a_100015189416_200015260668 [1,0,0,0,0,0|2,0,0]=3 685 B7R0.1 O=CCNCCCF 34a_100015189416_200009817547 [1,0,0,0,0,0|2,0,0]=3 686 B7R0.1 O=CCOCCCBr 34a_100011217188_200009817547 [1,0,0,0,0,0|2,0,0]=3 687 B7R0.1 O=CCOCCCCl 34a_100000230001_200009817547 [1,0,0,0,0,0|2,0,0]=3 688 B7R0.1 O=CCOCCCF 34a_100000759539_200009817547 [1,0,0,0,0,0|2,0,0]=3 689 B7R0.1 O=CCSCCCF 62a_100011934791_200015260668 [1,0,0,0,0,0|2,0,0]=3 690 B7R0.1 O=CCSCCCF 62a_200015260668_100011934791 [1,0,0,0,0,0|2,0,0]=3 691 B7R0.1 O=CCSCCCO 62a_100011215043_200015260668 [1,0,0,0,0,0|2,0,0]=3 692 B7R0.1 O=CCSCCCO 62a_200015260668_100011215043 [1,0,0,0,0,0|2,0,0]=3 693 B7R0.1 OCCCCNCF 34a_100000750430_100015361967 [1,0,0,0,0,0|2,0,1]=4 694 B7R0.1 OCCCCSCF 62a_100000210776_100015361967 [1,0,0,0,0,0|2,0,1]=4 695 B7R0.1 OCCCCSCF 62a_100015361967_100000210776 [1,0,0,0,0,0|2,0,1]=4 696 B7R0.1 OCCCNCCF 34a_100000724931_100000230001 [1,0,0,0,0,0|2,0,1]=4 697 B7R0.1 OCCCNCCO 2230a_100016997473_100000230001 [1,0,0,0,0,0|2,0,1]=4 698 B7R0.1 OCCCNCCO 34a_100016990907_100000230001 [1,0,0,0,0,0|2,0,1]=4 699 B7R0.1 OCCCOCCBr 34a_100000211926_100000230001 [1,0,0,0,0,0|2,0,1]=4 700 B7R0.1 OCCCSCCF 62a_100011215043_100011217306 [1,0,0,0,0,0|2,0,1]=4 701 B7R0.1 OCCCSCCF 62a_100011217306_100011215043 [1,0,0,0,0,0|2,0,1]=4 702 B7R0.1 OCCCSCCO 62a_100000211926_100011215043 [1,0,0,0,0,0|2,0,1]=4 703 B7R0.1 OCCCSCCO 62a_100011215043_100000211926 [1,0,0,0,0,0|2,0,1]=4 704 B7R0.1 OCCNCCCF 2230a_100015189416_100000211926 [1,0,0,0,0,0|2,0,1]=4 705 B7R0.1 OCCNCCCF 2230a_100016997473_100011934791 [1,0,0,0,0,0|2,0,1]=4 706 B7R0.1 OCCNCCCF 34a_100015189416_100000211926 [1,0,0,0,0,0|2,0,1]=4 707 B7R0.1 OCCNCCCF 34a_100016990907_100011934791 [1,0,0,0,0,0|2,0,1]=4 708 B7R0.1 OCCOCCCBr 34a_100011217188_100000211926 [1,0,0,0,0,0|2,0,1]=4 709 B7R0.1 OCCOCCCCl 34a_100000230001_100000211926 [1,0,0,0,0,0|2,0,1]=4 710 B7R0.1 OCCOCCCF 34a_100000759539_100000211926 [1,0,0,0,0,0|2,0,1]=4 711 B7R0.1 OCCSCCCF 62a_100000211926_100011934791 [1,0,0,0,0,0|2,0,1]=4 712 B7R0.1 OCCSCCCF 62a_100011934791_100000211926 [1,0,0,0,0,0|2,0,1]=4 713 B7R0.1 [13CH3]NCCCCCO 2230a_100000762737_200025704644 [1,0,0,0,0,0|2,0,1]=4 714 B7R0.1 [13CH3]NCCCCCO 34a_100000762737_200025704644 [1,0,0,0,0,0|2,0,1]=4 715 B7R0.1 [13CH3]OCCCCCBr 34a_100000746331_200025704644 [1,0,0,0,0,0|3,0,0]=4 716 B7R0.1 [13CH3]OCCCCCBr 7a_100000746331_200025704644 [1,0,0,0,0,0|3,0,0]=4 717 B7R0.1 [13CH3]OCCCCCCl 34a_100000746330_200025704644 [1,0,0,0,0,0|3,0,0]=4 718 B7R0.1 [13CH3]OCCCCCCl 7a_100000746330_200025704644 [1,0,0,0,0,0|3,0,0]=4 719 B7R0.1 [13CH3]OCCCCCI 34a_200012148887_200025704644 [1,0,0,0,0,0|3,0,0]=4 720 B7R0.1 [13CH3]OCCCCCI 7a_200012148887_200025704644 [1,0,0,0,0,0|3,0,0]=4 721 B7R0.1 [13CH3]OCCCCCN 34a_100000762737_200025704644 [1,0,0,0,0,0|2,0,0]=3 722 B7R0.1 [13CH3]OCCOCCN 34a_100000211614_200025704644 [1,0,0,0,0,0|3,0,0]=4 723 B7R0.1 [13CH3]SCCCCC=O 62a_100000139335_200025704644 [1,0,0,0,0,0|2,0,0]=3 724 B7R0.1 [13CH3]SCCCCC=O 62a_200025704644_100000139335 [1,0,0,0,0,0|2,0,0]=3 725 B7R0.1 [13CH3]SCCCCCF 62a_100000729378_200025704644 [1,0,0,0,0,0|3,0,0]=4 726 B7R0.1 [13CH3]SCCCCCF 62a_200025704644_100000729378 [1,0,0,0,0,0|3,0,0]=4 727 B7R0.1 [13CH3]SCCCCCO 62a_100000746330_200025704644 [1,0,0,0,0,0|2,0,1]=4 728 B7R0.1 [13CH3]SCCCCCO 62a_200025704644_100000746330 [1,0,0,0,0,0|2,0,1]=4 729 B7R0.4 C#CCCCC(=O)C 1458a_100000070787_100000731252 [1,0,0,0,0,0|1,0,2]=4 730 B7R0.4 C#CCCCC(=O)C 1458a_100000690238_200000210301 [1,0,0,0,0,0|1,0,2]=4 731 B7R0.4 C#CCCCC(=O)[13CH3] 1458a_100000690238_200025704644 [1,0,0,0,0,0|1,0,2]=4 732 B7R0.4 C#CCNCC(=O)O 269956a_100016091260_100000184674 [1,0,0,0,0,0|1,0,2]=4 733 B7R0.4 C=C(Br)CCOCC 34a_100009813270_100000210202 [1,0,0,0,0,0|3,0,0]=4 734 B7R0.4 C=C(C)CCNCC 2230a_100015525214_100000730704 [1,0,0,0,0,0|3,0,0]=4 735 B7R0.4 C=C(C)CCOCC 34a_100000764851_100000210202 [1,0,0,0,0,0|3,0,0]=4 736 B7R0.4 C=C(C)CCOCC 34a_100121572206_100000730704 [1,0,0,0,0,0|3,0,0]=4 737 B7R0.4 C=C(C)CCSCC 62a_100000210202_100000730704 [1,0,0,0,0,0|3,0,0]=4 738 B7R0.4 C=C(C)CCSCC 62a_100000730704_100000210202 [1,0,0,0,0,0|3,0,0]=4 739 B7R0.4 C=C(C)COCCC 34a_100000210245_100000210303 [1,0,0,0,0,0|3,0,0]=4 740 B7R0.4 C=C(C)COCCC 34a_100000210258_100000748629 [1,0,0,0,0,0|3,0,0]=4 741 B7R0.4 C=C(C)COCCN 34a_100000210304_100000748629 [1,0,0,0,0,0|3,0,0]=4 742 B7R0.4 C=C(C)CSCCC 62a_100000210303_100000211660 [1,0,0,0,0,0|3,0,0]=4 743 B7R0.4 C=C(C)CSCCC 62a_100000748629_100000210303 [1,0,0,0,0,0|3,0,0]=4 744 B7R0.4 C=C(F)COCCC 34a_100000210258_100009893438 [1,0,0,0,0,0|3,0,0]=4 745 B7R0.4 C=C(F)COCCC 34a_200010262243_100000210303 [1,0,0,0,0,0|3,0,0]=4 746 B7R0.4 C=C(F)COCCN 34a_100000210304_100009893438 [1,0,0,0,0,0|3,0,0]=4 747 B7R0.4 C=C(F)CSCCC 62a_100000042424_100000210303 [1,0,0,0,0,0|3,0,0]=4 748 B7R0.4 C=C(F)CSCCC 62a_100000210303_100000042424 [1,0,0,0,0,0|3,0,0]=4 749 B7R0.4 C=CCCCC(=O)C 1458a_100000070787_100000757094 [1,0,0,0,0,0|1,0,2]=4 750 B7R0.4 C=CCCCC(=O)C 1458a_100000766728_200000210301 [1,0,0,0,0,0|1,0,2]=4 751 B7R0.4 C=CCCCC(=O)[13CH3] 1458a_100000766728_200025704644 [1,0,0,0,0,0|1,0,2]=4 752 B7R0.4 C=CCNCC(=O)O 269956a_100016091260_100000210623 [1,0,0,0,0,0|1,0,2]=4 753 B7R0.4 CC(=O)CCCC#N 1458a_100000070787_100000211468 [1,0,0,0,0,0|1,0,2]=4 754 B7R0.4 CC(=O)CCCC#N 1458a_100000075515_200000210301 [1,0,0,0,0,0|1,0,2]=4 755 B7R0.4 CC(=O)CCCCF 1458a_100000070787_100000729493 [1,0,0,0,0,0|2,0,0]=3 756 B7R0.4 CC(=O)CCCCO 1458a_100000070787_100000210776 [1,0,0,0,0,0|2,0,0]=3 757 B7R0.4 CC(=O)CCCCO 1458a_100000695505_200000210301 [1,0,0,0,0,0|2,0,0]=3 758 B7R0.4 CC(=O)CCCO[13CH3] 34a_100000759063_200025704644 [1,0,0,0,0,0|2,0,0]=3 759 B7R0.4 CC(=O)CCCO[13CH3] 7a_100000759063_200025704644 [1,0,0,0,0,0|2,0,0]=3 760 B7R0.4 CC(=O)CCCS[13CH3] 62a_100011215641_200025704644 [1,0,0,0,0,0|2,0,0]=3 761 B7R0.4 CC(=O)CCCS[13CH3] 62a_200025704644_100011215641 [1,0,0,0,0,0|2,0,0]=3 762 B7R0.4 CC(=O)CCOCF 34a_100000759926_100015361967 [1,0,0,0,0,0|3,0,0]=4 763 B7R0.4 CC(=O)CCOCF 7a_100000759926_100015361967 [1,0,0,0,0,0|3,0,0]=4 764 B7R0.4 CC(=O)CCSCF 62a_100000053229_100015361967 [1,0,0,0,0,0|3,0,0]=4 765 B7R0.4 CC(=O)CCSCF 62a_100015361967_100000053229 [1,0,0,0,0,0|3,0,0]=4 766 B7R0.4 CC(=O)COCCF 34a_100000211253_100011217306 [1,0,0,0,0,0|3,0,0]=4 767 B7R0.4 CC(=O)COCCO 1458a_100000708028_200000210301 [1,0,0,0,0,0|3,0,0]=4 768 B7R0.4 CC(=O)COCCO 34a_100000211253_100000211926 [1,0,0,0,0,0|3,0,0]=4 769 B7R0.4 CC(=O)NCCCF 11a_100015189416_100015343762 [1,0,0,0,0,0|3,0,0]=4 770 B7R0.4 CC(=O)NCCCF 1626a_100015189416_100015343762 [1,0,0,0,0,0|3,0,0]=4 771 B7R0.4 CC(=O)NCCCF 240690a_100015189416_100015343762 [1,0,0,0,0,0|3,0,0]=4 772 B7R0.4 CC(=O)NCCCF 527a_100015189416_100103153847 [1,0,0,0,0,0|3,0,0]=4 773 B7R0.4 CC(=O)NCCCO 240690a_100000182051_100015343762 [1,0,0,0,0,0|3,0,0]=4 774 B7R0.4 CC(=O)NCCCO 527a_100000182051_100103153847 [1,0,0,0,0,0|3,0,0]=4 775 B7R0.4 CC(=O)NCCN[13CH3] 2230a_100000209853_200025704644 [1,0,0,0,0,0|3,0,0]=4 776 B7R0.4 CC(=O)NCCO[13CH3] 34a_100000158858_200025704644 [1,0,0,0,0,0|3,0,0]=4 777 B7R0.4 CC(=O)NCCS[13CH3] 62a_100000189650_200025704644 [1,0,0,0,0,0|3,0,0]=4 778 B7R0.4 CC(=O)NCCS[13CH3] 62a_200025704644_100000189650 [1,0,0,0,0,0|3,0,0]=4 779 B7R0.4 CC(=O)OCCS[13CH3] 62a_100009814007_200025704644 [1,0,0,0,0,0|3,0,0]=4 780 B7R0.4 CC(=O)OCCS[13CH3] 62a_200025704644_100009814007 [1,0,0,0,0,0|3,0,0]=4 781 B7R0.4 CC(O)CCCS[13CH3] 62a_200000718107_200025704644 [1,0,0,0,0,0|2,0,1]=4 782 B7R0.4 CC(O)CCCS[13CH3] 62a_200025704644_200000718107 [1,0,0,0,0,0|2,0,1]=4 783 B7R0.4 CC(O)COCCN 34a_100000210304_100011218427 [1,0,0,0,0,0|2,0,1]=4 784 B7R0.4 CC/C=C/CC(=O)C 1458a_100016274230_200000210301 [1,0,0,0,0,0|1,0,2]=4 785 B7R0.4 CC/C=C/CC(=O)[13CH3] 1458a_100016274230_200025704644 [1,0,0,0,0,0|1,0,2]=4 786 B7R0.4 CC/C=C\CC(=O)C 1458a_100000070787_100103147603 [1,0,0,0,0,0|1,0,2]=4 787 B7R0.4 CCC#CCC(=O)C 1458a_100000070787_100009813939 [1,0,0,0,0,0|1,0,2]=4 788 B7R0.4 CCCC#CC(=O)C 1458a_200011218047_200000210301 [1,0,0,0,0,0|1,0,2]=4 789 B7R0.4 CCCC#CC(=O)[13CH3] 1458a_200011218047_200025704644 [1,0,0,0,0,0|1,0,2]=4 790 B7R0.4 CCCC=CC(=O)C 1458a_100000212230_200000210301 [1,0,0,0,0,0|1,0,2]=4 791 B7R0.4 CCCC=CC(=O)[13CH3] 1458a_100000212230_200025704644 [1,0,0,0,0,0|1,0,2]=4 792 B7R0.4 CCCCCC(=O)C 1458a_100000070787_100000210326 [1,0,0,0,0,0|1,0,0]=2 793 B7R0.4 CCCCCC(=O)C 1458a_100000212188_200000210301 [1,0,0,0,0,0|1,0,0]=2 794 B7R0.4 CCCCCC(=O)[13CH3] 1458a_100000212188_200025704644 [1,0,0,0,0,0|1,0,0]=2 795 B7R0.4 CCCCCN(C)C 2230a_100000223495_200000210301 [1,0,0,0,0,0|3,0,0]=4 796 B7R0.4 CCCCCN(C)C 2230a_100102631434_100000210326 [1,0,0,0,0,0|3,0,0]=4 797 B7R0.4 CCCCCN(C)C 269982a_100000223495_200000210301 [1,0,0,0,0,0|3,0,0]=4 798 B7R0.4 CCCCCN(C)C 269982a_100102631434_100000210215 [1,0,0,0,0,0|3,0,0]=4 799 B7R0.4 CCCCCN(C)[13CH3] 2230a_100000223495_200025704644 [1,0,0,0,0,0|3,0,0]=4 800 B7R0.4 CCCCCN(C)[13CH3] 269982a_100000223495_200025704644 [1,0,0,0,0,0|3,0,0]=4 801 B7R0.4 CCCCNC(=O)C 11a_100000102301_100015343762 [1,0,0,0,0,0|2,0,0]=3 802 B7R0.4 CCCCNC(=O)C 1626a_100000102301_100015343762 [1,0,0,0,0,0|2,0,0]=3 803 B7R0.4 CCCCNC(=O)C 240690a_100000102301_100015343762 [1,0,0,0,0,0|2,0,0]=3 804 B7R0.4 CCCCNC(=O)C 527a_100000102301_100103153847 [1,0,0,0,0,0|2,0,0]=3 805 B7R0.4 CCCNCC(=O)N 2230a_100000711301_100000210303 [1,0,0,0,0,0|2,0,0]=3 806 B7R0.4 CCCNCC(=O)O 269956a_100016091260_100000210207 [1,0,0,0,0,0|1,0,0]=2 807 B7R0.4 CCCNCC(C)O 2230a_100000210904_100000210303 [1,0,0,0,0,0|2,0,1]=4 808 B7R0.4 CCCNCC(C)O 34a_100000210904_100000210303 [1,0,0,0,0,0|2,0,1]=4 809 B7R0.4 CCCNNC(=O)C 22a_100000740057_100000070787 [1,0,0,0,0,0|3,0,0]=4 810 B7R0.4 CCCOCC(=O)C 1458a_100000745993_200000210301 [1,0,0,0,0,0|2,0,0]=3 811 B7R0.4 CCCOCC(=O)C 34a_100000211253_100000210303 [1,0,0,0,0,0|2,0,0]=3 812 B7R0.4 CCCOCC(=O)N 34a_100000210258_100000187820 [1,0,0,0,0,0|2,0,0]=3 813 B7R0.4 CCCOCC(=O)[13CH3] 1458a_100000745993_200025704644 [1,0,0,0,0,0|2,0,0]=3 814 B7R0.4 CCCOCC(=O)[O-] 34a_100000210258_100020667443 [1,0,0,0,0,0|1,0,1]=3 815 B7R0.4 CCCOCC(C)O 34a_100000210258_100011218427 [1,0,0,0,0,0|2,0,1]=4 816 B7R0.4 CCCOC[C@@H](C)O 34a_100000210258_100009817552 [1,0,0,0,0,0|2,0,1]=4 817 B7R0.4 CCCOC[N+](=O)[O-] 34a_100000210258_100000761209 [1,0,0,0,0,0|2,0,1]=4 818 B7R0.4 CCCSCC(=O)C 1458a_100000217233_200000210301 [1,0,0,0,0,0|2,0,0]=3 819 B7R0.4 CCCSCC(=O)N 62a_100000210303_100000747473 [1,0,0,0,0,0|2,0,0]=3 820 B7R0.4 CCCSCC(=O)N 62a_100000747473_100000210303 [1,0,0,0,0,0|2,0,0]=3 821 B7R0.4 CCCSCC(=O)[13CH3] 1458a_100000217233_200025704644 [1,0,0,0,0,0|2,0,0]=3 822 B7R0.4 CCCSCC(=O)[O-] 62a_100000210303_100020667443 [1,0,0,0,0,0|1,0,1]=3 823 B7R0.4 CCCSCC(=O)[O-] 62a_100020667443_100000210303 [1,0,0,0,0,0|1,0,1]=3 824 B7R0.4 CCCSCC(C)O 62a_100000210303_100011218427 [1,0,0,0,0,0|2,0,1]=4 825 B7R0.4 CCCSCC(C)O 62a_100011218427_100000210303 [1,0,0,0,0,0|2,0,1]=4 826 B7R0.4 CCCSC[C@@H](C)O 62a_100000210303_100009817552 [1,0,0,0,0,0|2,0,1]=4 827 B7R0.4 CCCSC[C@@H](C)O 62a_100009817552_100000210303 [1,0,0,0,0,0|2,0,1]=4 828 B7R0.4 CCCSC[N+](=O)[O-] 62a_100000210303_100000761209 [1,0,0,0,0,0|2,0,1]=4 829 B7R0.4 CCNCCC(=O)N 2230a_100015525214_100000744528 [1,0,0,0,0,0|2,0,0]=3 830 B7R0.4 CCNCCC(C)O 2230a_100015525214_100012276601 [1,0,0,0,0,0|2,0,1]=4 831 B7R0.4 CCNCCC(C)O 2230a_200000755665_100000210202 [1,0,0,0,0,0|2,0,1]=4 832 B7R0.4 CCNOCC(=O)O 269956a_100000106656_100000210202 [1,0,0,0,0,0|2,0,0]=3 833 B7R0.4 CCOCCC(=O)C 1458a_100000070787_100011215890 [1,0,0,0,0,0|2,0,0]=3 834 B7R0.4 CCOCCC(=O)C 1458a_100000749530_200000210301 [1,0,0,0,0,0|2,0,0]=3 835 B7R0.4 CCOCCC(=O)C 34a_100000759926_100000210202 [1,0,0,0,0,0|2,0,0]=3 836 B7R0.4 CCOCCC(=O)C 7a_100000759926_100000210202 [1,0,0,0,0,0|2,0,0]=3 837 B7R0.4 CCOCCC(=O)N 34a_100000757172_100000210202 [1,0,0,0,0,0|2,0,0]=3 838 B7R0.4 CCOCCC(=O)N 34a_100121572206_100000731001 [1,0,0,0,0,0|2,0,0]=3 839 B7R0.4 CCOCCC(=O)N 7a_100000757172_100000210202 [1,0,0,0,0,0|2,0,0]=3 840 B7R0.4 CCOCCC(=O)[13CH3] 1458a_100000749530_200025704644 [1,0,0,0,0,0|2,0,0]=3 841 B7R0.4 CCOCCC(C)O 34a_100121572206_100012276601 [1,0,0,0,0,0|2,0,1]=4 842 B7R0.4 CCOCOC(=O)C 34a_100121572206_100009813279 [1,0,0,0,0,0|3,0,0]=4 843 B7R0.4 CCSCCC(=O)C 1458a_100000070787_100000757381 [1,0,0,0,0,0|2,0,0]=3 844 B7R0.4 CCSCCC(=O)C 1458a_100000230768_200000210301 [1,0,0,0,0,0|2,0,0]=3 845 B7R0.4 CCSCCC(=O)C 62a_100000053229_100000210202 [1,0,0,0,0,0|2,0,0]=3 846 B7R0.4 CCSCCC(=O)C 62a_100000210202_100000053229 [1,0,0,0,0,0|2,0,0]=3 847 B7R0.4 CCSCCC(=O)N 62a_100000210202_100000744528 [1,0,0,0,0,0|2,0,0]=3 848 B7R0.4 CCSCCC(=O)N 62a_100000744528_100000210202 [1,0,0,0,0,0|2,0,0]=3 849 B7R0.4 CCSCCC(=O)[13CH3] 1458a_100000230768_200025704644 [1,0,0,0,0,0|2,0,0]=3 850 B7R0.4 CCSCCC(C)O 62a_100000210202_100012276601 [1,0,0,0,0,0|2,0,1]=4 851 B7R0.4 CCSCCC(C)O 62a_100012276601_100000210202 [1,0,0,0,0,0|2,0,1]=4 852 B7R0.4 CCSCOC(=O)C 62a_100000076356_100000210202 [1,0,0,0,0,0|3,0,0]=4 853 B7R0.4 CCSCOC(=O)C 62a_100000210202_100000076356 [1,0,0,0,0,0|3,0,0]=4 854 B7R0.4 CNCCCC(=O)C 34a_100102657272_100000685027 [1,0,0,0,0,0|2,0,0]=3 855 B7R0.4 CNCCCC(=O)C 7a_106832991635_100011215641 [1,0,0,0,0,0|2,0,0]=3 856 B7R0.4 CNCCCC(=O)N 34a_100000739312_200000210301 [1,0,0,0,0,0|2,0,0]=3 857 B7R0.4 CNCCCC(=O)N 34a_100102657272_100102525003 [1,0,0,0,0,0|2,0,0]=3 858 B7R0.4 CNCCCC(=O)N 7a_106832991635_100102525003 [1,0,0,0,0,0|2,0,0]=3 859 B7R0.4 CNCCCC(C)O 2230a_106832991635_200000718107 [1,0,0,0,0,0|2,0,1]=4 860 B7R0.4 CNCCCC(C)O 34a_100102657272_200000718107 [1,0,0,0,0,0|2,0,1]=4 861 B7R0.4 CNCCCC(C)O 7a_106832991635_200000718107 [1,0,0,0,0,0|2,0,1]=4 862 B7R0.4 CNCCCS(=O)C 2230a_200000753449_200000210301 [1,0,0,0,0,0|3,0,0]=4 863 B7R0.4 CNCCNC(=O)C 2230a_100000209853_200000210301 [1,0,0,0,0,0|3,0,0]=4 864 B7R0.4 CNCCNC(=O)C 2230a_106832991635_100000189650 [1,0,0,0,0,0|3,0,0]=4 865 B7R0.4 CNCCNC(=O)C 7a_106832991635_100000189650 [1,0,0,0,0,0|3,0,0]=4 866 B7R0.4 CNCCNC(=O)N 2230a_106832991635_200000034859 [1,0,0,0,0,0|3,0,0]=4 867 B7R0.4 CNCCNC(=O)N 34a_100020590234_200000210301 [1,0,0,0,0,0|3,0,0]=4 868 B7R0.4 CNCCNC(=O)N 7a_106832991635_200000034859 [1,0,0,0,0,0|3,0,0]=4 869 B7R0.4 CNCCOC(=O)C 34a_100102657272_100009814007 [1,0,0,0,0,0|3,0,0]=4 870 B7R0.4 CNCCOC(=O)C 7a_106832991635_100009814007 [1,0,0,0,0,0|3,0,0]=4 871 B7R0.4 CNCCOC(=O)N 34a_100102657272_200011214921 [1,0,0,0,0,0|3,0,0]=4 872 B7R0.4 CNCCOC(=O)N 7a_106832991635_200011214921 [1,0,0,0,0,0|3,0,0]=4 873 B7R0.4 COCCCC(=O)C 1458a_100000070787_100000740836 [1,0,0,0,0,0|2,0,0]=3 874 B7R0.4 COCCCC(=O)C 1458a_100000741012_200000210301 [1,0,0,0,0,0|2,0,0]=3 875 B7R0.4 COCCCC(=O)C 34a_100000759063_200000210301 [1,0,0,0,0,0|2,0,0]=3 876 B7R0.4 COCCCC(=O)C 34a_100138415774_100000685027 [1,0,0,0,0,0|2,0,0]=3 877 B7R0.4 COCCCC(=O)C 7a_100000759063_200000210301 [1,0,0,0,0,0|2,0,0]=3 878 B7R0.4 COCCCC(=O)N 34a_100138415774_100102525003 [1,0,0,0,0,0|2,0,0]=3 879 B7R0.4 COCCCC(=O)[13CH3] 1458a_100000741012_200025704644 [1,0,0,0,0,0|2,0,0]=3 880 B7R0.4 COCCCC(C)O 34a_100138415774_200000718107 [1,0,0,0,0,0|2,0,1]=4 881 B7R0.4 COCCC[N+](=O)[O-] 34a_200000037920_200000210301 [1,0,0,0,0,0|2,0,1]=4 882 B7R0.4 COCCNC(=O)C 1626a_100000209980_100015343762 [1,0,0,0,0,0|3,0,0]=4 883 B7R0.4 COCCNC(=O)C 240690a_100000209980_100015343762 [1,0,0,0,0,0|3,0,0]=4 884 B7R0.4 COCCNC(=O)C 34a_100000158858_200000210301 [1,0,0,0,0,0|3,0,0]=4 885 B7R0.4 COCCNC(=O)C 527a_100000209980_100103153847 [1,0,0,0,0,0|3,0,0]=4 886 B7R0.4 COCCNC(=O)N 34a_100000181757_200000210301 [1,0,0,0,0,0|3,0,0]=4 887 B7R0.4 COCCOC(=O)C 34a_100138415774_100009814007 [1,0,0,0,0,0|3,0,0]=4 888 B7R0.4 COCCOC(=O)N 34a_100138415774_200011214921 [1,0,0,0,0,0|3,0,0]=4 889 B7R0.4 COCCOC(=O)N 7a_100000766696_200000210301 [1,0,0,0,0,0|3,0,0]=4 890 B7R0.4 COCNCC(=O)N 2230a_100000711301_100000766300 [1,0,0,0,0,0|3,0,0]=4 891 B7R0.4 COCNCC(=O)O 269956a_100016091260_100000766300 [1,0,0,0,0,0|2,0,0]=3 892 B7R0.4 COCSCC(=O)N 62a_100000747473_100000766300 [1,0,0,0,0,0|3,0,0]=4 893 B7R0.4 COCSCC(=O)N 62a_100000766300_100000747473 [1,0,0,0,0,0|3,0,0]=4 894 B7R0.4 COCSCC(=O)[O-] 62a_100000766300_100020667443 [1,0,0,0,0,0|2,0,1]=4 895 B7R0.4 COCSCC(=O)[O-] 62a_100020667443_100000766300 [1,0,0,0,0,0|2,0,1]=4 896 B7R0.4 CS(=O)CCCN[13CH3] 2230a_200000753449_200025704644 [1,0,0,0,0,0|3,0,0]=4 897 B7R0.4 CSCCCC(=O)C 1458a_100000173376_200000210301 [1,0,0,0,0,0|2,0,0]=3 898 B7R0.4 CSCCCC(=O)C 62a_100011215641_200000210301 [1,0,0,0,0,0|2,0,0]=3 899 B7R0.4 CSCCCC(=O)C 62a_200000210301_100011215641 [1,0,0,0,0,0|2,0,0]=3 900 B7R0.4 CSCCCC(=O)N 62a_100102525003_200000210301 [1,0,0,0,0,0|2,0,0]=3 901 B7R0.4 CSCCCC(=O)N 62a_200000210301_100102525003 [1,0,0,0,0,0|2,0,0]=3 902 B7R0.4 CSCCCC(=O)[13CH3] 1458a_100000173376_200025704644 [1,0,0,0,0,0|2,0,0]=3 903 B7R0.4 CSCCCC(C)O 62a_200000210301_200000718107 [1,0,0,0,0,0|2,0,1]=4 904 B7R0.4 CSCCCC(C)O 62a_200000718107_200000210301 [1,0,0,0,0,0|2,0,1]=4 905 B7R0.4 CSCCNC(=O)C 11a_100020590264_100015343762 [1,0,0,0,0,0|3,0,0]=4 906 B7R0.4 CSCCNC(=O)C 1626a_100020590264_100015343762 [1,0,0,0,0,0|3,0,0]=4 907 B7R0.4 CSCCNC(=O)C 240690a_100020590264_100015343762 [1,0,0,0,0,0|3,0,0]=4 908 B7R0.4 CSCCNC(=O)C 527a_100020590264_100103153847 [1,0,0,0,0,0|3,0,0]=4 909 B7R0.4 CSCCNC(=O)C 62a_100000189650_200000210301 [1,0,0,0,0,0|3,0,0]=4 910 B7R0.4 CSCCNC(=O)C 62a_200000210301_100000189650 [1,0,0,0,0,0|3,0,0]=4 911 B7R0.4 CSCCNC(=O)N 62a_200000034859_200000210301 [1,0,0,0,0,0|3,0,0]=4 912 B7R0.4 CSCCNC(=O)N 62a_200000210301_200000034859 [1,0,0,0,0,0|3,0,0]=4 913 B7R0.4 CSCCOC(=O)C 62a_100009814007_200000210301 [1,0,0,0,0,0|3,0,0]=4 914 B7R0.4 CSCCOC(=O)C 62a_200000210301_100009814007 [1,0,0,0,0,0|3,0,0]=4 915 B7R0.4 CSCCOC(=O)N 62a_200000210301_200011214921 [1,0,0,0,0,0|3,0,0]=4 916 B7R0.4 CSCCOC(=O)N 62a_200011214921_200000210301 [1,0,0,0,0,0|3,0,0]=4 917 B7R0.4 CSCNCC(=O)N 2230a_100000711301_100011218213 [1,0,0,0,0,0|3,0,0]=4 918 B7R0.4 CSCNCC(=O)O 269956a_100016091260_100011218213 [1,0,0,0,0,0|2,0,0]=3 919 B7R0.4 CSCOCC(=O)C 34a_100000211253_100011218213 [1,0,0,0,0,0|3,0,0]=4 920 B7R0.4 CSCSCC(=O)N 62a_100000747473_100011218213 [1,0,0,0,0,0|3,0,0]=4 921 B7R0.4 CSCSCC(=O)N 62a_100011218213_100000747473 [1,0,0,0,0,0|3,0,0]=4 922 B7R0.4 CSCSCC(=O)[O-] 62a_100011218213_100020667443 [1,0,0,0,0,0|2,0,1]=4 923 B7R0.4 CSCSCC(=O)[O-] 62a_100020667443_100011218213 [1,0,0,0,0,0|2,0,1]=4 924 B7R0.4 C[C@@H](O)COCCN 34a_100000210304_100009817552 [1,0,0,0,0,0|2,0,1]=4 925 B7R0.4 N#CCNCC(=O)O 269956a_100016091260_100011215382 [1,0,0,0,0,0|1,0,2]=4 926 B7R0.4 NC(=O)CCOCF 34a_100000757172_100015361967 [1,0,0,0,0,0|3,0,0]=4 927 B7R0.4 NC(=O)CCOCF 7a_100000757172_100015361967 [1,0,0,0,0,0|3,0,0]=4 928 B7R0.4 NC(=O)CCSCF 62a_100000744528_100015361967 [1,0,0,0,0,0|3,0,0]=4 929 B7R0.4 NC(=O)CCSCF 62a_100015361967_100000744528 [1,0,0,0,0,0|3,0,0]=4 930 B7R0.4 NC(=O)CNCCF 2230a_100000711301_100011217306 [1,0,0,0,0,0|3,0,0]=4 931 B7R0.4 NC(=O)CNCCF 34a_100000724931_100000187820 [1,0,0,0,0,0|3,0,0]=4 932 B7R0.4 NC(=O)CNCCO 2230a_100000711301_100000211926 [1,0,0,0,0,0|3,0,0]=4 933 B7R0.4 NC(=O)CNCCO 2230a_100016997473_100000747473 [1,0,0,0,0,0|3,0,0]=4 934 B7R0.4 NC(=O)CNCCO 34a_100016990907_100000187820 [1,0,0,0,0,0|3,0,0]=4 935 B7R0.4 NC(=O)COCCBr 34a_100000211926_100000187820 [1,0,0,0,0,0|3,0,0]=4 936 B7R0.4 NC(=O)CSCCF 62a_100000747473_100011217306 [1,0,0,0,0,0|3,0,0]=4 937 B7R0.4 NC(=O)CSCCF 62a_100011217306_100000747473 [1,0,0,0,0,0|3,0,0]=4 938 B7R0.4 NC(=O)CSCCO 62a_100000211926_100000747473 [1,0,0,0,0,0|3,0,0]=4 939 B7R0.4 NC(=O)CSCCO 62a_100000747473_100000211926 [1,0,0,0,0,0|3,0,0]=4 940 B7R0.4 NCCOCC(=O)N 34a_100000210304_100000187820 [1,0,0,0,0,0|2,0,0]=3 941 B7R0.4 NCCOCC(=O)[O-] 34a_100000210304_100020667443 [1,0,0,0,0,0|1,0,1]=3 942 B7R0.4 NCCOC[N+](=O)[O-] 34a_100000210304_100000761209 [1,0,0,0,0,0|2,0,1]=4 943 B7R0.4 O=C(O)CNCCF 269956a_100016091260_100011217306 [1,0,0,0,0,0|2,0,0]=3 944 B7R0.4 O=C(O)CNCCO 269956a_100016091260_100000211926 [1,0,0,0,0,0|2,0,0]=3 945 B7R0.4 O=C(O)CONCF 269956a_100000106656_100015361967 [1,0,0,0,0,0|3,0,0]=4 946 B7R0.4 O=C([O-])CNCCF 34a_100000724931_100020667443 [1,0,0,0,0,0|2,0,1]=4 947 B7R0.4 O=C([O-])CNCCO 34a_100016990907_100020667443 [1,0,0,0,0,0|2,0,1]=4 948 B7R0.4 O=C([O-])COCCBr 34a_100000211926_100020667443 [1,0,0,0,0,0|2,0,1]=4 949 B7R0.4 O=C([O-])CSCCF 62a_100011217306_100020667443 [1,0,0,0,0,0|2,0,1]=4 950 B7R0.4 O=C([O-])CSCCF 62a_100020667443_100011217306 [1,0,0,0,0,0|2,0,1]=4 951 B7R0.4 O=C([O-])CSCCO 62a_100000211926_100020667443 [1,0,0,0,0,0|2,0,1]=4 952 B7R0.4 O=C([O-])CSCCO 62a_100020667443_100000211926 [1,0,0,0,0,0|2,0,1]=4 953 B7R0.4 O=CCNCC(=O)O 269956a_100016091260_200015260668 [1,0,0,0,0,0|2,0,1]=4 954 B7R0.4 [13CH3]C(=O)CCCC#N 1458a_100000075515_200025704644 [1,0,0,0,0,0|1,0,2]=4 955 B7R0.4 [13CH3]C(=O)CCCCO 1458a_100000695505_200025704644 [1,0,0,0,0,0|2,0,0]=3 956 B7R0.4 [13CH3]C(=O)COCCO 1458a_100000708028_200025704644 [1,0,0,0,0,0|3,0,0]=4 957 B7R0.4 [13CH3]NCCCC(=O)N 34a_100000739312_200025704644 [1,0,0,0,0,0|2,0,0]=3 958 B7R0.4 [13CH3]NCCNC(=O)N 34a_100020590234_200025704644 [1,0,0,0,0,0|3,0,0]=4 959 B7R0.4 [13CH3]OCCC[N+](=O)[O-] 34a_200000037920_200025704644 [1,0,0,0,0,0|2,0,1]=4 960 B7R0.4 [13CH3]OCCNC(=O)N 34a_100000181757_200025704644 [1,0,0,0,0,0|3,0,0]=4 961 B7R0.4 [13CH3]OCCOC(=O)N 7a_100000766696_200025704644 [1,0,0,0,0,0|3,0,0]=4 962 B7R0.4 [13CH3]SCCCC(=O)N 62a_100102525003_200025704644 [1,0,0,0,0,0|2,0,0]=3 963 B7R0.4 [13CH3]SCCCC(=O)N 62a_200025704644_100102525003 [1,0,0,0,0,0|2,0,0]=3 964 B7R0.4 [13CH3]SCCNC(=O)N 62a_200000034859_200025704644 [1,0,0,0,0,0|3,0,0]=4 965 B7R0.4 [13CH3]SCCNC(=O)N 62a_200025704644_200000034859 [1,0,0,0,0,0|3,0,0]=4 966 B7R0.4 [13CH3]SCCOC(=O)N 62a_200011214921_200025704644 [1,0,0,0,0,0|3,0,0]=4 967 B7R0.4 [13CH3]SCCOC(=O)N 62a_200025704644_200011214921 [1,0,0,0,0,0|3,0,0]=4 968 B9R0.1 C=C(C)CCOC(C)CN 34a_100000210904_100000730704 [0,1,0,0,0,0|3,0,0]=4 969 B9R0.1 C=C(C)COCC(C)CN 34a_100000744482_100000748629 [0,1,0,0,0,0|3,0,0]=4 970 B9R0.1 C=C(C)COC[C@H](F)CN 34a_100015665980_100000748629 [0,1,0,0,0,0|3,0,0]=4 971 B9R0.1 C=C(F)COCC(C)CN 34a_100000744482_100009893438 [0,1,0,0,0,0|3,0,0]=4 972 B9R0.1 C=C(F)COC[C@H](F)CN 34a_100015665980_100009893438 [0,1,0,0,0,0|3,0,0]=4 973 B9R0.1 C=CC(O)CNCC(=O)O 269956a_100016091260_100000730141 [0,1,0,0,0,0|2,0,1]=4 974 B9R0.1 CC(=O)CCCC(=O)CO 1458a_100000210174_100011215641 [0,1,0,0,0,0|2,0,1]=4 975 B9R0.1 CC(=O)CCOC(C)CF 7a_100016041109_100000053229 [0,1,0,0,0,0|3,0,0]=4 976 B9R0.1 CC(=O)CCOC(C)CO 34a_100000759926_100012180447 [0,1,0,0,0,0|3,0,0]=4 977 B9R0.1 CC(=O)CCOC(C)CO 7a_100000759926_100012180447 [0,1,0,0,0,0|3,0,0]=4 978 B9R0.1 CC(=O)CCSC(C)CO 62a_100012180447_100000053229 [0,1,0,0,0,0|3,0,0]=4 979 B9R0.1 CC(=O)CCS[C@H](C)CO 62a_100000053229_100016084084 [0,1,0,0,0,0|3,0,0]=4 980 B9R0.1 CC(=O)CCS[C@H](C)CO 62a_100016084084_100000053229 [0,1,0,0,0,0|3,0,0]=4 981 B9R0.1 CC(=O)COCC(O)CO 34a_100000211253_100011219619 [0,1,0,0,0,0|3,0,0]=4 982 B9R0.1 CC(=O)COC[C@@H](C)CO 34a_100000211253_100000059175 [0,1,0,0,0,0|3,0,0]=4 983 B9R0.1 CC(=O)COC[C@@H](O)CF 34a_100000211253_100015614560 [0,1,0,0,0,0|3,0,0]=4 984 B9R0.1 CC(=O)COC[C@@H](O)CO 34a_100000211253_100009815848 [0,1,0,0,0,0|3,0,0]=4 985 B9R0.1 CC(=O)NCCC(C)CO 240690a_106354213184_100015343762 [0,1,0,0,0,0|3,0,0]=4 986 B9R0.1 CC(=O)NCCC(C)CO 527a_106354213184_100103153847 [0,1,0,0,0,0|3,0,0]=4 987 B9R0.1 CC(=O)OCOC(C)CN 34a_100000210904_100009813279 [0,1,0,0,0,0|3,0,0]=4 988 B9R0.1 CC(CCCC(=O)[O-])O[13CH3] 7a_100000761597_200025704644 [0,1,0,0,0,0|2,0,1]=4 989 B9R0.1 CC(CF)OCCC(=O)N 34a_100016041109_100000731001 [0,1,0,0,0,0|3,0,0]=4 990 B9R0.1 CC(CF)OCCC(=O)N 7a_100016041109_100000744528 [0,1,0,0,0,0|3,0,0]=4 991 B9R0.1 CC(CN)COCC(=O)N 34a_100000744482_100000187820 [0,1,0,0,0,0|2,0,0]=3 992 B9R0.1 CC(CN)COCC(=O)[O-] 34a_100000744482_100020667443 [0,1,0,0,0,0|1,0,1]=3 993 B9R0.1 CC(CN)COC[C@@H](C)O 34a_100000744482_100009817552 [0,1,0,0,0,0|2,0,1]=4 994 B9R0.1 CC(CN)COC[N+](=O)[O-] 34a_100000744482_100000761209 [0,1,0,0,0,0|2,0,1]=4 995 B9R0.1 CC(CN)OCCC(=O)N 34a_100000210904_100000731001 [0,1,0,0,0,0|2,0,0]=3 996 B9R0.1 CC(CO)CNCC(=O)N 34a_100000744482_100000187820 [0,1,0,0,0,0|3,0,0]=4 997 B9R0.1 CC(CO)CNCC(=O)[O-] 34a_100000744482_100020667443 [0,1,0,0,0,0|2,0,1]=4 998 B9R0.1 CC(CO)OCCC(=O)N 34a_100000757172_100012180447 [0,1,0,0,0,0|3,0,0]=4 999 B9R0.1 CC(CO)OCCC(=O)N 7a_100000757172_100012180447 [0,1,0,0,0,0|3,0,0]=4 1000 B9R0.1 CC(CO)SCCC(=O)N 62a_100012180447_100000744528 [0,1,0,0,0,0|3,0,0]=4 1001 B9R0.1 CC(O)CCOC(C)CN 34a_100000210904_100012276601 [0,1,0,0,0,0|2,0,1]=4 1002 B9R0.1 CC(O)COCC(C)CN 34a_100000744482_100011218427 [0,1,0,0,0,0|2,0,1]=4 1003 B9R0.1 CC(O)COC[C@H](F)CN 34a_100015665980_100011218427 [0,1,0,0,0,0|2,0,1]=4 1004 B9R0.1 CCC(=O)CCCC(=O)C 1458a_100000210414_100011215641 [0,1,0,0,0,0|2,0,1]=4 1005 B9R0.1 CCC(=O)CCCC(=O)N 1458a_100000210414_100102525003 [0,1,0,0,0,0|2,0,1]=4 1006 B9R0.1 CCC(=O)CNCC(=O)O 269956a_100016091260_100000747405 [0,1,0,0,0,0|2,0,1]=4 1007 B9R0.1 CCC(C)CCNC(=O)C 11a_100020591266_100015343762 [0,1,0,0,0,0|3,0,0]=4 1008 B9R0.1 CCC(C)CCNC(=O)C 1626a_100020591266_100015343762 [0,1,0,0,0,0|3,0,0]=4 1009 B9R0.1 CCC(C)CCNC(=O)C 240690a_100020591266_100015343762 [0,1,0,0,0,0|3,0,0]=4 1010 B9R0.1 CCC(C)CCNC(=O)C 527a_100020591266_100103153847 [0,1,0,0,0,0|3,0,0]=4 1011 B9R0.1 CCC(C)CNCC(=O)N 2230a_100000711301_100000748023 [0,1,0,0,0,0|3,0,0]=4 1012 B9R0.1 CCC(C)CNCC(=O)N 2230a_100020588543_100000747473 [0,1,0,0,0,0|3,0,0]=4 1013 B9R0.1 CCC(C)CNCC(=O)O 269956a_100016091260_100000748023 [0,1,0,0,0,0|2,0,0]=3 1014 B9R0.1 CCC(C)COCC(=O)C 34a_100000211253_100000748023 [0,1,0,0,0,0|3,0,0]=4 1015 B9R0.1 CCC(C)CSCC(=O)N 62a_100000747473_100000748023 [0,1,0,0,0,0|3,0,0]=4 1016 B9R0.1 CCC(C)CSCC(=O)N 62a_100000748023_100000747473 [0,1,0,0,0,0|3,0,0]=4 1017 B9R0.1 CCC(C)CSCC(=O)[O-] 62a_100000748023_100020667443 [0,1,0,0,0,0|2,0,1]=4 1018 B9R0.1 CCC(C)CSCC(=O)[O-] 62a_100020667443_100000748023 [0,1,0,0,0,0|2,0,1]=4 1019 B9R0.1 CCC(C)NCCC(=O)N 2230a_100000209981_100000744528 [0,1,0,0,0,0|3,0,0]=4 1020 B9R0.1 CCC(C)NOCC(=O)O 269956a_100000106656_100000758301 [0,1,0,0,0,0|3,0,0]=4 1021 B9R0.1 CCC(C)OCCC(=O)C 34a_100000759926_100011215416 [0,1,0,0,0,0|3,0,0]=4 1022 B9R0.1 CCC(C)OCCC(=O)C 7a_100000210228_100000053229 [0,1,0,0,0,0|3,0,0]=4 1023 B9R0.1 CCC(C)OCCC(=O)C 7a_100000759926_100000758301 [0,1,0,0,0,0|3,0,0]=4 1024 B9R0.1 CCC(C)OCCC(=O)N 34a_100000757172_100011215416 [0,1,0,0,0,0|3,0,0]=4 1025 B9R0.1 CCC(C)OCCC(=O)N 7a_100000210228_100000744528 [0,1,0,0,0,0|3,0,0]=4 1026 B9R0.1 CCC(C)OCCC(=O)N 7a_100000757172_100000758301 [0,1,0,0,0,0|3,0,0]=4 1027 B9R0.1 CCC(C)SCCC(=O)C 62a_100000053229_100000758301 [0,1,0,0,0,0|3,0,0]=4 1028 B9R0.1 CCC(C)SCCC(=O)C 62a_100000758301_100000053229 [0,1,0,0,0,0|3,0,0]=4 1029 B9R0.1 CCC(C)SCCC(=O)N 62a_100000744528_100000758301 [0,1,0,0,0,0|3,0,0]=4 1030 B9R0.1 CCC(C)SCCC(=O)N 62a_100000758301_100000744528 [0,1,0,0,0,0|3,0,0]=4 1031 B9R0.1 CCC(O)CNCC(=O)N 2230a_100000711301_100011218378 [0,1,0,0,0,0|3,0,0]=4 1032 B9R0.1 CCC(O)CNCC(=O)N 2230a_100011218483_100000747473 [0,1,0,0,0,0|3,0,0]=4 1033 B9R0.1 CCC(O)CNCC(=O)O 269956a_100016091260_100011218378 [0,1,0,0,0,0|2,0,0]=3 1034 B9R0.1 CCC(O)COCC(=O)C 34a_100000211253_100011218378 [0,1,0,0,0,0|3,0,0]=4 1035 B9R0.1 CCC(O)CSCC(=O)N 62a_100000747473_100011218378 [0,1,0,0,0,0|3,0,0]=4 1036 B9R0.1 CCC(O)CSCC(=O)N 62a_100011218378_100000747473 [0,1,0,0,0,0|3,0,0]=4 1037 B9R0.1 CCC(O)CSCC(=O)[O-] 62a_100011218378_100020667443 [0,1,0,0,0,0|2,0,1]=4 1038 B9R0.1 CCC(O)CSCC(=O)[O-] 62a_100020667443_100011218378 [0,1,0,0,0,0|2,0,1]=4 1039 B9R0.1 CCN(C)CCCC(=O)C 1458a_100000070787_100015186262 [0,1,0,0,0,0|3,0,0]=4 1040 B9R0.1 CCN(C)CCCC(=O)C 269982a_100000225621_100011215641 [0,1,0,0,0,0|3,0,0]=4 1041 B9R0.1 CCN(C)CCCC(=O)N 269982a_100000225621_100102525003 [0,1,0,0,0,0|3,0,0]=4 1042 B9R0.1 CCN(C)CCCC(=O)O 269956a_100000719178_100000210202 [0,1,0,0,0,0|2,0,0]=3 1043 B9R0.1 CC[C@H](C)CNCC(=O)N 2230a_100000711301_100009816398 [0,1,0,0,0,0|3,0,0]=4 1044 B9R0.1 CC[C@H](C)CNCC(=O)O 269956a_100016091260_100009816398 [0,1,0,0,0,0|2,0,0]=3 1045 B9R0.1 CC[C@H](C)COCC(=O)C 34a_100000211253_100009816398 [0,1,0,0,0,0|3,0,0]=4 1046 B9R0.1 CC[C@H](C)COCC(=O)N 7a_100009816381_100000187820 [0,1,0,0,0,0|3,0,0]=4 1047 B9R0.1 CC[C@H](C)CSCC(=O)N 62a_100000747473_100009816398 [0,1,0,0,0,0|3,0,0]=4 1048 B9R0.1 CC[C@H](C)CSCC(=O)N 62a_100009816398_100000747473 [0,1,0,0,0,0|3,0,0]=4 1049 B9R0.1 CC[C@H](C)CSCC(=O)[O-] 62a_100009816398_100020667443 [0,1,0,0,0,0|2,0,1]=4 1050 B9R0.1 CC[C@H](C)CSCC(=O)[O-] 62a_100020667443_100009816398 [0,1,0,0,0,0|2,0,1]=4 1051 B9R0.1 CN(CF)CCCC(=O)O 269956a_100000719178_100015361967 [0,1,0,0,0,0|2,0,0]=3 1052 B9R0.1 COC(C)CCCC(=O)[O-] 7a_100000761597_200000210301 [0,1,0,0,0,0|2,0,1]=4 1053 B9R0.1 C[C@@H](CO)CNCC(=O)N 2230a_100000711301_100000059175 [0,1,0,0,0,0|3,0,0]=4 1054 B9R0.1 C[C@@H](CO)CNCC(=O)O 269956a_100016091260_100000059175 [0,1,0,0,0,0|2,0,0]=3 1055 B9R0.1 C[C@@H](CO)CSCC(=O)N 62a_100000059175_100000747473 [0,1,0,0,0,0|3,0,0]=4 1056 B9R0.1 C[C@@H](CO)CSCC(=O)N 62a_100000747473_100000059175 [0,1,0,0,0,0|3,0,0]=4 1057 B9R0.1 C[C@@H](CO)CSCC(=O)[O-] 62a_100000059175_100020667443 [0,1,0,0,0,0|2,0,1]=4 1058 B9R0.1 C[C@@H](CO)CSCC(=O)[O-] 62a_100020667443_100000059175 [0,1,0,0,0,0|2,0,1]=4 1059 B9R0.1 C[C@@H](O)COC[C@H](F)CN 34a_100015665980_100009817552 [0,1,0,0,0,0|2,0,1]=4 1060 B9R0.1 C[C@H](CO)NCCC(=O)N 2230a_100000737577_100000744528 [0,1,0,0,0,0|3,0,0]=4 1061 B9R0.1 C[C@H](CO)NOCC(=O)O 269956a_100000106656_100016084084 [0,1,0,0,0,0|3,0,0]=4 1062 B9R0.1 C[C@H](CO)SCCC(=O)N 62a_100000744528_100016084084 [0,1,0,0,0,0|3,0,0]=4 1063 B9R0.1 C[C@H](CO)SCCC(=O)N 62a_100016084084_100000744528 [0,1,0,0,0,0|3,0,0]=4 1064 B9R0.1 NC(=O)CCCC(=O)CO 1458a_100000210174_100102525003 [0,1,0,0,0,0|2,0,1]=4 1065 B9R0.1 NC(=O)CNCC(O)CO 2230a_100000711301_100011219619 [0,1,0,0,0,0|3,0,0]=4 1066 B9R0.1 NC(=O)CNC[C@@H](F)CO 34a_100015665980_100000187820 [0,1,0,0,0,0|3,0,0]=4 1067 B9R0.1 NC(=O)CNC[C@@H](O)CF 2230a_100000711301_100015614560 [0,1,0,0,0,0|3,0,0]=4 1068 B9R0.1 NC(=O)CNC[C@@H](O)CO 2230a_100000711301_100009815848 [0,1,0,0,0,0|3,0,0]=4 1069 B9R0.1 NC(=O)CNC[C@H](O)CO 2230a_100020644852_100000747473 [0,1,0,0,0,0|3,0,0]=4 1070 B9R0.1 NC(=O)COCC(Cl)CCl 34a_100000033668_100000187820 [0,1,0,0,0,0|3,0,0]=4 1071 B9R0.1 NC(=O)CSCC(O)CO 62a_100000747473_100011219619 [0,1,0,0,0,0|3,0,0]=4 1072 B9R0.1 NC(=O)CSCC(O)CO 62a_100011219619_100000747473 [0,1,0,0,0,0|3,0,0]=4 1073 B9R0.1 NC(=O)CSC[C@@H](O)CF 62a_100000747473_100015614560 [0,1,0,0,0,0|3,0,0]=4 1074 B9R0.1 NC(=O)CSC[C@@H](O)CF 62a_100015614560_100000747473 [0,1,0,0,0,0|3,0,0]=4 1075 B9R0.1 NC(=O)CSC[C@@H](O)CO 62a_100000747473_100009815848 [0,1,0,0,0,0|3,0,0]=4 1076 B9R0.1 NC(=O)CSC[C@@H](O)CO 62a_100009815848_100000747473 [0,1,0,0,0,0|3,0,0]=4 1077 B9R0.1 NC[C@@H](F)COCC(=O)N 34a_100015665980_100000187820 [0,1,0,0,0,0|2,0,0]=3 1078 B9R0.1 NC[C@@H](F)COCC(=O)[O-] 34a_100015665980_100020667443 [0,1,0,0,0,0|1,0,1]=3 1079 B9R0.1 NC[C@@H](F)COC[N+](=O)[O-] 34a_100015665980_100000761209 [0,1,0,0,0,0|2,0,1]=4 1080 B9R0.1 O=C(O)CNCC(O)CO 269956a_100016091260_100011219619 [0,1,0,0,0,0|2,0,0]=3 1081 B9R0.1 O=C(O)CNC[C@@H](O)CF 269956a_100016091260_100015614560 [0,1,0,0,0,0|2,0,0]=3 1082 B9R0.1 O=C(O)CNC[C@@H](O)CO 269956a_100016091260_100009815848 [0,1,0,0,0,0|2,0,0]=3 1083 B9R0.1 O=C([O-])CNC[C@@H](F)CO 34a_100015665980_100020667443 [0,1,0,0,0,0|2,0,1]=4 1084 B9R0.1 O=C([O-])COCC(Cl)CCl 34a_100000033668_100020667443 [0,1,0,0,0,0|2,0,1]=4 1085 B9R0.1 O=C([O-])CSCC(O)CO 62a_100011219619_100020667443 [0,1,0,0,0,0|2,0,1]=4 1086 B9R0.1 O=C([O-])CSCC(O)CO 62a_100020667443_100011219619 [0,1,0,0,0,0|2,0,1]=4 1087 B9R0.1 O=C([O-])CSC[C@@H](O)CF 62a_100015614560_100020667443 [0,1,0,0,0,0|2,0,1]=4 1088 B9R0.1 O=C([O-])CSC[C@@H](O)CF 62a_100020667443_100015614560 [0,1,0,0,0,0|2,0,1]=4 1089 B9R0.1 O=C([O-])CSC[C@@H](O)CO 62a_100009815848_100020667443 [0,1,0,0,0,0|2,0,1]=4 1090 B9R0.1 O=C([O-])CSC[C@@H](O)CO 62a_100020667443_100009815848 [0,1,0,0,0,0|2,0,1]=4 1091 B9R0.2 C#CCCCCCC(=O)C 1458a_100000070787_100012094781 [0,1,0,0,0,0|2,0,0]=3 1092 B9R0.2 C#CCCCCCC(=O)C 1458a_100000694772_200000210301 [0,1,0,0,0,0|2,0,0]=3 1093 B9R0.2 C#CCCCCCC(=O)[13CH3] 1458a_100000694772_200025704644 [0,1,0,0,0,0|2,0,0]=3 1094 B9R0.2 C#CCCCCNC(=O)C 11a_100000706060_100015343762 [0,1,0,0,0,0|2,0,1]=4 1095 B9R0.2 C#CCCCCNC(=O)C 1626a_100000706060_100015343762 [0,1,0,0,0,0|2,0,1]=4 1096 B9R0.2 C#CCCCCNC(=O)C 240690a_100000706060_100015343762 [0,1,0,0,0,0|2,0,1]=4 1097 B9R0.2 C#CCCCCNC(=O)C 527a_100000706060_100103153847 [0,1,0,0,0,0|2,0,1]=4 1098 B9R0.2 C#CCCCNCC(=O)N 2230a_100000711301_100000731252 [0,1,0,0,0,0|2,0,1]=4 1099 B9R0.2 C#CCCCNCC(=O)N 34a_100000718082_100000187820 [0,1,0,0,0,0|2,0,1]=4 1100 B9R0.2 C#CCCCNCC(=O)O 269956a_100016091260_100011215417 [0,1,0,0,0,0|1,0,1]=3 1101 B9R0.2 C#CCCCNCC(=O)[O-] 34a_100000718082_100020667443 [0,1,0,0,0,0|1,0,2]=4 1102 B9R0.2 C#CCCCOCC(=O)C 34a_100000211253_100000695029 [0,1,0,0,0,0|2,0,1]=4 1103 B9R0.2 C#CCCCOCC(=O)N 34a_100000215630_100000187820 [0,1,0,0,0,0|2,0,1]=4 1104 B9R0.2 C#CCCCOCC(=O)N 7a_100000215630_100000187820 [0,1,0,0,0,0|2,0,1]=4 1105 B9R0.2 C#CCCCOCC(=O)[O-] 34a_100000215630_100020667443 [0,1,0,0,0,0|1,0,2]=4 1106 B9R0.2 C#CCCCSCC(=O)N 62a_100000747473_100011215417 [0,1,0,0,0,0|2,0,1]=4 1107 B9R0.2 C#CCCCSCC(=O)N 62a_100011215417_100000747473 [0,1,0,0,0,0|2,0,1]=4 1108 B9R0.2 C#CCCCSCC(=O)[O-] 62a_100011215417_100020667443 [0,1,0,0,0,0|1,0,2]=4 1109 B9R0.2 C#CCCCSCC(=O)[O-] 62a_100020667443_100011215417 [0,1,0,0,0,0|1,0,2]=4 1110 B9R0.2 C#CCCNCCC(=O)N 34a_100000755551_100000731001 [0,1,0,0,0,0|2,0,1]=4 1111 B9R0.2 C#CCCNOCC(=O)O 269956a_100000106656_100000688953 [0,1,0,0,0,0|2,0,1]=4 1112 B9R0.2 C#CCCOCCC(=O)C 34a_100000759926_100000688953 [0,1,0,0,0,0|2,0,1]=4 1113 B9R0.2 C#CCCOCCC(=O)C 7a_100000759926_100000688953 [0,1,0,0,0,0|2,0,1]=4 1114 B9R0.2 C#CCCOCCC(=O)N 34a_100000757172_100000688953 [0,1,0,0,0,0|2,0,1]=4 1115 B9R0.2 C#CCCOCCC(=O)N 34a_100011215631_100000731001 [0,1,0,0,0,0|2,0,1]=4 1116 B9R0.2 C#CCCOCCC(=O)N 7a_100000757172_100000688953 [0,1,0,0,0,0|2,0,1]=4 1117 B9R0.2 C#CCCSCCC(=O)C 62a_100000053229_100000688953 [0,1,0,0,0,0|2,0,1]=4 1118 B9R0.2 C#CCCSCCC(=O)C 62a_100000688953_100000053229 [0,1,0,0,0,0|2,0,1]=4 1119 B9R0.2 C#CCCSCCC(=O)N 62a_100000688953_100000744528 [0,1,0,0,0,0|2,0,1]=4 1120 B9R0.2 C#CCCSCCC(=O)N 62a_100000744528_100000688953 [0,1,0,0,0,0|2,0,1]=4 1121 B9R0.2 C#CCNCCCC(=O)C 34a_100000212058_100000685027 [0,1,0,0,0,0|2,0,1]=4 1122 B9R0.2 C#CCNCCCC(=O)N 34a_100000212058_100102525003 [0,1,0,0,0,0|2,0,1]=4 1123 B9R0.2 C#CCNCCCC(=O)N 34a_100000739312_100000184674 [0,1,0,0,0,0|2,0,1]=4 1124 B9R0.2 C#CCOCCCC(=O)C 34a_100000210247_100000685027 [0,1,0,0,0,0|2,0,1]=4 1125 B9R0.2 C#CCOCCCC(=O)C 34a_100000759063_100000184674 [0,1,0,0,0,0|2,0,1]=4 1126 B9R0.2 C#CCOCCCC(=O)C 7a_100000759063_100000038162 [0,1,0,0,0,0|2,0,1]=4 1127 B9R0.2 C#CCOCCCC(=O)N 34a_100000210247_100102525003 [0,1,0,0,0,0|2,0,1]=4 1128 B9R0.2 C#CCSCCCC(=O)C 62a_100000038162_100011215641 [0,1,0,0,0,0|2,0,1]=4 1129 B9R0.2 C#CCSCCCC(=O)N 62a_100000038162_100102525003 [0,1,0,0,0,0|2,0,1]=4 1130 B9R0.2 C=C(Br)CCOCCCC 34a_100009813270_100000210210 [0,1,0,0,0,0|3,0,0]=4 1131 B9R0.2 C=C(Br)CCOCCCF 34a_100009813270_100011934791 [0,1,0,0,0,0|3,0,0]=4 1132 B9R0.2 C=C(Br)CCOCCCO 34a_100009813270_100000230001 [0,1,0,0,0,0|3,0,0]=4 1133 B9R0.2 C=C(C)CCNCCCC 2230a_100000102301_100000730704 [0,1,0,0,0,0|3,0,0]=4 1134 B9R0.2 C=C(C)CCNCCCC 7a_106832991798_100000730704 [0,1,0,0,0,0|3,0,0]=4 1135 B9R0.2 C=C(C)CCNCCCF 2230a_100015189416_100000730704 [0,1,0,0,0,0|3,0,0]=4 1136 B9R0.2 C=C(C)CCNCCCF 34a_100015189416_100000730704 [0,1,0,0,0,0|3,0,0]=4 1137 B9R0.2 C=C(C)CCOCCCBr 34a_100011217188_100000730704 [0,1,0,0,0,0|3,0,0]=4 1138 B9R0.2 C=C(C)CCOCCCC 34a_100000210227_100000730704 [0,1,0,0,0,0|3,0,0]=4 1139 B9R0.2 C=C(C)CCOCCCC 34a_100000764851_100000210210 [0,1,0,0,0,0|3,0,0]=4 1140 B9R0.2 C=C(C)CCOCCCC 7a_100000210227_100000730704 [0,1,0,0,0,0|3,0,0]=4 1141 B9R0.2 C=C(C)CCOCCCCl 34a_100000230001_100000730704 [0,1,0,0,0,0|3,0,0]=4 1142 B9R0.2 C=C(C)CCOCCCF 34a_100000759539_100000730704 [0,1,0,0,0,0|3,0,0]=4 1143 B9R0.2 C=C(C)CCOCCCF 34a_100000764851_100011934791 [0,1,0,0,0,0|3,0,0]=4 1144 B9R0.2 C=C(C)CCOCCCN 34a_100000182051_100000730704 [0,1,0,0,0,0|2,0,0]=3 1145 B9R0.2 C=C(C)CCOCCCO 34a_100000764851_100000230001 [0,1,0,0,0,0|3,0,0]=4 1146 B9R0.2 C=C(C)CCOCCON 34a_100000700252_100000730704 [0,1,0,0,0,0|3,0,0]=4 1147 B9R0.2 C=C(C)CCSCCCC 62a_100000210211_100000730704 [0,1,0,0,0,0|3,0,0]=4 1148 B9R0.2 C=C(C)CCSCCCC 62a_100000730704_100000210210 [0,1,0,0,0,0|3,0,0]=4 1149 B9R0.2 C=C(C)CCSCCCF 62a_100000730704_100011934791 [0,1,0,0,0,0|3,0,0]=4 1150 B9R0.2 C=C(C)CCSCCCF 62a_100011934791_100000730704 [0,1,0,0,0,0|3,0,0]=4 1151 B9R0.2 C=C(C)CCSCCCO 62a_100000730704_100011215043 [0,1,0,0,0,0|3,0,0]=4 1152 B9R0.2 C=C(C)CCSCCCO 62a_100011215043_100000730704 [0,1,0,0,0,0|3,0,0]=4 1153 B9R0.2 C=C(C)CNCCCCC 2230a_100000209983_100000748629 [0,1,0,0,0,0|3,0,0]=4 1154 B9R0.2 C=C(C)CNCCCCO 2230a_100000750430_100000748629 [0,1,0,0,0,0|3,0,0]=4 1155 B9R0.2 C=C(C)CNCCCCO 34a_100000750430_100000748629 [0,1,0,0,0,0|3,0,0]=4 1156 B9R0.2 C=C(C)COCCCCBr 34a_100011216708_100000748629 [0,1,0,0,0,0|3,0,0]=4 1157 B9R0.2 C=C(C)COCCCCC 34a_100000210245_100000718602 [0,1,0,0,0,0|3,0,0]=4 1158 B9R0.2 C=C(C)COCCCCC 34a_100000210253_100000748629 [0,1,0,0,0,0|3,0,0]=4 1159 B9R0.2 C=C(C)COCCCCC 7a_100000210253_100000748629 [0,1,0,0,0,0|3,0,0]=4 1160 B9R0.2 C=C(C)COCCCCCl 34a_100000210776_100000748629 [0,1,0,0,0,0|3,0,0]=4 1161 B9R0.2 C=C(C)COCCCCCl 7a_100000210776_100000748629 [0,1,0,0,0,0|3,0,0]=4 1162 B9R0.2 C=C(C)COCCCCF 34a_100000210245_100000729493 [0,1,0,0,0,0|3,0,0]=4 1163 B9R0.2 C=C(C)COCCCCF 34a_100011995726_100000748629 [0,1,0,0,0,0|3,0,0]=4 1164 B9R0.2 C=C(C)COCCCCF 7a_100011995726_100000748629 [0,1,0,0,0,0|3,0,0]=4 1165 B9R0.2 C=C(C)COCCCCI 34a_200012148704_100000748629 [0,1,0,0,0,0|3,0,0]=4 1166 B9R0.2 C=C(C)COCCCCN 34a_100000750430_100000748629 [0,1,0,0,0,0|2,0,0]=3 1167 B9R0.2 C=C(C)COCCCCO 34a_100000210245_100011216708 [0,1,0,0,0,0|3,0,0]=4 1168 B9R0.2 C=C(C)COCCCNC 34a_100000213112_100000748629 [0,1,0,0,0,0|3,0,0]=4 1169 B9R0.2 C=C(C)CSCCCCC 62a_100000210326_100000211660 [0,1,0,0,0,0|3,0,0]=4 1170 B9R0.2 C=C(C)CSCCCCC 62a_100000748629_100000210326 [0,1,0,0,0,0|3,0,0]=4 1171 B9R0.2 C=C(C)CSCCCCF 62a_100000729493_100000211660 [0,1,0,0,0,0|3,0,0]=4 1172 B9R0.2 C=C(C)CSCCCCF 62a_100000748629_100000729493 [0,1,0,0,0,0|3,0,0]=4 1173 B9R0.2 C=C(C)CSCCCCO 62a_100000210776_100000211660 [0,1,0,0,0,0|3,0,0]=4 1174 B9R0.2 C=C(C)CSCCCCO 62a_100000748629_100000210776 [0,1,0,0,0,0|3,0,0]=4 1175 B9R0.2 C=C(F)CNCCCCC 2230a_100000209983_100009893438 [0,1,0,0,0,0|3,0,0]=4 1176 B9R0.2 C=C(F)CNCCCCO 2230a_100000750430_100009893438 [0,1,0,0,0,0|3,0,0]=4 1177 B9R0.2 C=C(F)CNCCCCO 34a_100000750430_100009893438 [0,1,0,0,0,0|3,0,0]=4 1178 B9R0.2 C=C(F)COCCCCBr 34a_100011216708_100009893438 [0,1,0,0,0,0|3,0,0]=4 1179 B9R0.2 C=C(F)COCCCCC 34a_100000210253_100009893438 [0,1,0,0,0,0|3,0,0]=4 1180 B9R0.2 C=C(F)COCCCCC 34a_200010262243_100000718602 [0,1,0,0,0,0|3,0,0]=4 1181 B9R0.2 C=C(F)COCCCCC 7a_100000210253_100000042424 [0,1,0,0,0,0|3,0,0]=4 1182 B9R0.2 C=C(F)COCCCCCl 34a_100000210776_100009893438 [0,1,0,0,0,0|3,0,0]=4 1183 B9R0.2 C=C(F)COCCCCCl 7a_100000210776_100000042424 [0,1,0,0,0,0|3,0,0]=4 1184 B9R0.2 C=C(F)COCCCCF 34a_100011995726_100009893438 [0,1,0,0,0,0|3,0,0]=4 1185 B9R0.2 C=C(F)COCCCCF 34a_200010262243_100000729493 [0,1,0,0,0,0|3,0,0]=4 1186 B9R0.2 C=C(F)COCCCCF 7a_100011995726_100000042424 [0,1,0,0,0,0|3,0,0]=4 1187 B9R0.2 C=C(F)COCCCCI 34a_200012148704_100009893438 [0,1,0,0,0,0|3,0,0]=4 1188 B9R0.2 C=C(F)COCCCCN 34a_100000750430_100009893438 [0,1,0,0,0,0|2,0,0]=3 1189 B9R0.2 C=C(F)COCCCCO 34a_200010262243_100011216708 [0,1,0,0,0,0|3,0,0]=4 1190 B9R0.2 C=C(F)COCCCNC 34a_100000213112_100009893438 [0,1,0,0,0,0|3,0,0]=4 1191 B9R0.2 C=C(F)CSCCCCC 62a_100000042424_100000210326 [0,1,0,0,0,0|3,0,0]=4 1192 B9R0.2 C=C(F)CSCCCCC 62a_100000210326_100000042424 [0,1,0,0,0,0|3,0,0]=4 1193 B9R0.2 C=C(F)CSCCCCF 62a_100000042424_100000729493 [0,1,0,0,0,0|3,0,0]=4 1194 B9R0.2 C=C(F)CSCCCCF 62a_100000729493_100000042424 [0,1,0,0,0,0|3,0,0]=4 1195 B9R0.2 C=C(F)CSCCCCO 62a_100000042424_100000210776 [0,1,0,0,0,0|3,0,0]=4 1196 B9R0.2 C=C(F)CSCCCCO 62a_100000210776_100000042424 [0,1,0,0,0,0|3,0,0]=4 1197 B9R0.2 C=CCCCCCC(=O)C 1458a_100000070787_100000700193 [0,1,0,0,0,0|2,0,0]=3 1198 B9R0.2 C=CCCCCCC(=O)C 1458a_100011934241_200000210301 [0,1,0,0,0,0|2,0,0]=3 1199 B9R0.2 C=CCCCCCC(=O)[13CH3] 1458a_100011934241_200025704644 [0,1,0,0,0,0|2,0,0]=3 1200 B9R0.2 C=CCCCCNC(=O)C 11a_100000703577_100015343762 [0,1,0,0,0,0|2,0,1]=4 1201 B9R0.2 C=CCCCCNC(=O)C 1626a_100000703577_100015343762 [0,1,0,0,0,0|2,0,1]=4 1202 B9R0.2 C=CCCCCNC(=O)C 240690a_100000703577_100015343762 [0,1,0,0,0,0|2,0,1]=4 1203 B9R0.2 C=CCCCCNC(=O)C 527a_100000703577_100103153847 [0,1,0,0,0,0|2,0,1]=4 1204 B9R0.2 C=CCCCNCC(=O)N 2230a_100000700776_100000747473 [0,1,0,0,0,0|2,0,1]=4 1205 B9R0.2 C=CCCCNCC(=O)N 2230a_100000711301_100011713584 [0,1,0,0,0,0|2,0,1]=4 1206 B9R0.2 C=CCCCNCC(=O)N 34a_100000700776_100000187820 [0,1,0,0,0,0|2,0,1]=4 1207 B9R0.2 C=CCCCNCC(=O)O 269956a_100016091260_100011713584 [0,1,0,0,0,0|1,0,1]=3 1208 B9R0.2 C=CCCCNCC(=O)[O-] 34a_100000700776_100020667443 [0,1,0,0,0,0|1,0,2]=4 1209 B9R0.2 C=CCCCOCC(=O)C 34a_100000211253_100000757094 [0,1,0,0,0,0|2,0,1]=4 1210 B9R0.2 C=CCCCOCC(=O)N 34a_100000758997_100000187820 [0,1,0,0,0,0|2,0,1]=4 1211 B9R0.2 C=CCCCOCC(=O)N 7a_100000758997_100000187820 [0,1,0,0,0,0|2,0,1]=4 1212 B9R0.2 C=CCCCOCC(=O)[O-] 34a_100000758997_100020667443 [0,1,0,0,0,0|1,0,2]=4 1213 B9R0.2 C=CCCCSCC(=O)N 62a_100000747473_100000757094 [0,1,0,0,0,0|2,0,1]=4 1214 B9R0.2 C=CCCCSCC(=O)N 62a_100011713584_100000747473 [0,1,0,0,0,0|2,0,1]=4 1215 B9R0.2 C=CCCCSCC(=O)[O-] 62a_100011713584_100020667443 [0,1,0,0,0,0|1,0,2]=4 1216 B9R0.2 C=CCCCSCC(=O)[O-] 62a_100020667443_100000757094 [0,1,0,0,0,0|1,0,2]=4 1217 B9R0.2 C=CCCNCCC(=O)N 2230a_100015191253_100000744528 [0,1,0,0,0,0|2,0,1]=4 1218 B9R0.2 C=CCCNOCC(=O)O 269956a_100000106656_100000754431 [0,1,0,0,0,0|2,0,1]=4 1219 B9R0.2 C=CCCOCCC(=O)C 34a_100000759926_100000754431 [0,1,0,0,0,0|2,0,1]=4 1220 B9R0.2 C=CCCOCCC(=O)C 7a_100000759926_100000754431 [0,1,0,0,0,0|2,0,1]=4 1221 B9R0.2 C=CCCOCCC(=O)N 34a_100000757172_100000754431 [0,1,0,0,0,0|2,0,1]=4 1222 B9R0.2 C=CCCOCCC(=O)N 34a_100011205117_100000731001 [0,1,0,0,0,0|2,0,1]=4 1223 B9R0.2 C=CCCOCCC(=O)N 7a_100000757172_100000754431 [0,1,0,0,0,0|2,0,1]=4 1224 B9R0.2 C=CCCSCCC(=O)C 62a_100000053229_100000754431 [0,1,0,0,0,0|2,0,1]=4 1225 B9R0.2 C=CCCSCCC(=O)C 62a_100000754431_100000053229 [0,1,0,0,0,0|2,0,1]=4 1226 B9R0.2 C=CCCSCCC(=O)N 62a_100000744528_100000754431 [0,1,0,0,0,0|2,0,1]=4 1227 B9R0.2 C=CCCSCCC(=O)N 62a_100000754431_100000744528 [0,1,0,0,0,0|2,0,1]=4 1228 B9R0.2 C=CCNCCCC(=O)N 34a_100000739312_100015514636 [0,1,0,0,0,0|2,0,1]=4 1229 B9R0.2 C=CCOCCCC(=O)C 34a_100000759063_100015514636 [0,1,0,0,0,0|2,0,1]=4 1230 B9R0.2 C=CCOCCCC(=O)C 34a_200000210373_100000685027 [0,1,0,0,0,0|2,0,1]=4 1231 B9R0.2 C=CCOCCCC(=O)C 7a_100000759063_100015514636 [0,1,0,0,0,0|2,0,1]=4 1232 B9R0.2 C=CCOCCCC(=O)N 34a_200000210373_100102525003 [0,1,0,0,0,0|2,0,1]=4 1233 B9R0.2 C=CCSCCCC(=O)C 62a_100000210623_100011215641 [0,1,0,0,0,0|2,0,1]=4 1234 B9R0.2 C=CCSCCCC(=O)C 62a_100011215641_100000210623 [0,1,0,0,0,0|2,0,1]=4 1235 B9R0.2 C=CCSCCCC(=O)N 62a_100000210623_100102525003 [0,1,0,0,0,0|2,0,1]=4 1236 B9R0.2 C=CCSCCCC(=O)N 62a_100102525003_100000210623 [0,1,0,0,0,0|2,0,1]=4 1237 B9R0.2 C=COCCNCC(=O)O 269956a_100016091260_100000039644 [0,1,0,0,0,0|2,0,1]=4 1238 B9R0.2 CC(=CCCOCCN)C 34a_100000210304_100011217483 [0,1,0,0,0,0|2,0,1]=4 1239 B9R0.2 CC(=CCOCCCN)C 34a_100000182051_100000761012 [0,1,0,0,0,0|2,0,1]=4 1240 B9R0.2 CC(=O)CCCCCC#N 1458a_100000070787_100009813376 [0,1,0,0,0,0|1,0,1]=3 1241 B9R0.2 CC(=O)CCCCCCF 1458a_100000070787_100015922095 [0,1,0,0,0,0|2,0,0]=3 1242 B9R0.2 CC(=O)CCCCCCO 1458a_100000070787_100000766143 [0,1,0,0,0,0|2,0,0]=3 1243 B9R0.2 CC(=O)CCCCCCO 1458a_100011996774_200000210301 [0,1,0,0,0,0|2,0,0]=3 1244 B9R0.2 CC(=O)CCCCN=[N+]=[N-] 1458a_100000070148_200000210301 [0,1,0,0,0,0|2,0,1]=4 1245 B9R0.2 CC(=O)CCCCSCF 62a_100000735457_100015361967 [0,1,0,0,0,0|2,0,0]=3 1246 B9R0.2 CC(=O)CCCCSCF 62a_100015361967_100000735457 [0,1,0,0,0,0|2,0,0]=3 1247 B9R0.2 CC(=O)CCCNCCF 34a_100000724931_100000685027 [0,1,0,0,0,0|2,0,0]=3 1248 B9R0.2 CC(=O)CCCNCCO 34a_100016990907_100000685027 [0,1,0,0,0,0|2,0,0]=3 1249 B9R0.2 CC(=O)CCCOCC#N 7a_100000759063_100011215382 [0,1,0,0,0,0|1,0,2]=4 1250 B9R0.2 CC(=O)CCCOCC=O 34a_100000759063_200009817547 [0,1,0,0,0,0|2,0,1]=4 1251 B9R0.2 CC(=O)CCCOCC=O 7a_100000759063_200015260668 [0,1,0,0,0,0|2,0,1]=4 1252 B9R0.2 CC(=O)CCCOCCBr 34a_100000211926_100000685027 [0,1,0,0,0,0|2,0,0]=3 1253 B9R0.2 CC(=O)CCCOCCF 34a_100000759063_100011217306 [0,1,0,0,0,0|2,0,0]=3 1254 B9R0.2 CC(=O)CCCOCCF 7a_100000759063_100011217306 [0,1,0,0,0,0|2,0,0]=3 1255 B9R0.2 CC(=O)CCCOCCN 34a_100000210304_100000685027 [0,1,0,0,0,0|1,0,0]=2 1256 B9R0.2 CC(=O)CCCOCCO 34a_100000759063_100000211926 [0,1,0,0,0,0|2,0,0]=3 1257 B9R0.2 CC(=O)CCCOCCO 7a_100000759063_100000211926 [0,1,0,0,0,0|2,0,0]=3 1258 B9R0.2 CC(=O)CCCSCC#N 62a_100011215382_100011215641 [0,1,0,0,0,0|1,0,2]=4 1259 B9R0.2 CC(=O)CCCSCC#N 62a_100011215641_100011215382 [0,1,0,0,0,0|1,0,2]=4 1260 B9R0.2 CC(=O)CCCSCC=O 62a_100011215641_200015260668 [0,1,0,0,0,0|2,0,1]=4 1261 B9R0.2 CC(=O)CCCSCC=O 62a_200015260668_100011215641 [0,1,0,0,0,0|2,0,1]=4 1262 B9R0.2 CC(=O)CCCSCCF 62a_100011215641_100011217306 [0,1,0,0,0,0|2,0,0]=3 1263 B9R0.2 CC(=O)CCCSCCF 62a_100011217306_100011215641 [0,1,0,0,0,0|2,0,0]=3 1264 B9R0.2 CC(=O)CCCSCCO 62a_100000211926_100011215641 [0,1,0,0,0,0|2,0,0]=3 1265 B9R0.2 CC(=O)CCCSCCO 62a_100011215641_100000211926 [0,1,0,0,0,0|2,0,0]=3 1266 B9R0.2 CC(=O)CCOCCC#N 7a_100000759926_100000184422 [0,1,0,0,0,0|1,0,2]=4 1267 B9R0.2 CC(=O)CCOCCCF 34a_100000759926_100011934791 [0,1,0,0,0,0|2,0,0]=3 1268 B9R0.2 CC(=O)CCOCCCF 7a_100000759926_100011934791 [0,1,0,0,0,0|2,0,0]=3 1269 B9R0.2 CC(=O)CCOCCCO 34a_100000759926_100000230001 [0,1,0,0,0,0|2,0,0]=3 1270 B9R0.2 CC(=O)CCOCCCO 7a_100000759926_100011215043 [0,1,0,0,0,0|2,0,0]=3 1271 B9R0.2 CC(=O)CCSCCC#N 62a_100000053229_100011215226 [0,1,0,0,0,0|1,0,2]=4 1272 B9R0.2 CC(=O)CCSCCC#N 62a_100011215226_100000053229 [0,1,0,0,0,0|1,0,2]=4 1273 B9R0.2 CC(=O)CCSCCCF 62a_100000053229_100011934791 [0,1,0,0,0,0|2,0,0]=3 1274 B9R0.2 CC(=O)CCSCCCF 62a_100011934791_100000053229 [0,1,0,0,0,0|2,0,0]=3 1275 B9R0.2 CC(=O)CCSCCCO 62a_100000053229_100011215043 [0,1,0,0,0,0|2,0,0]=3 1276 B9R0.2 CC(=O)CCSCCCO 62a_100011215043_100000053229 [0,1,0,0,0,0|2,0,0]=3 1277 B9R0.2 CC(=O)COCCCCF 34a_100000211253_100000729493 [0,1,0,0,0,0|2,0,0]=3 1278 B9R0.2 CC(=O)COCCCCO 34a_100000211253_100011216708 [0,1,0,0,0,0|2,0,0]=3 1279 B9R0.2 CC(=O)NCCCCC#N 11a_100000751965_100015343762 [0,1,0,0,0,0|1,0,2]=4 1280 B9R0.2 CC(=O)NCCCCC#N 1626a_100000751965_100015343762 [0,1,0,0,0,0|1,0,2]=4 1281 B9R0.2 CC(=O)NCCCCC#N 240690a_100000751965_100015343762 [0,1,0,0,0,0|1,0,2]=4 1282 B9R0.2 CC(=O)NCCCCC#N 527a_100000751965_100103153847 [0,1,0,0,0,0|1,0,2]=4 1283 B9R0.2 CC(=O)NCCCCCO 240690a_100000762737_100015343762 [0,1,0,0,0,0|2,0,0]=3 1284 B9R0.2 CC(=O)NCCCCN[13CH3] 2230a_200011368371_200025704644 [0,1,0,0,0,0|2,0,0]=3 1285 B9R0.2 CC(=O)NCCCCN[13CH3] 34a_200011368371_200025704644 [0,1,0,0,0,0|2,0,0]=3 1286 B9R0.2 CC(=O)NCCCNCF 34a_100000736810_100015361967 [0,1,0,0,0,0|3,0,0]=4 1287 B9R0.2 CC(=O)NCCCOCF 34a_100000752032_100015361967 [0,1,0,0,0,0|3,0,0]=4 1288 B9R0.2 CC(=O)NCCNCCF 2230a_100000209853_100011217306 [0,1,0,0,0,0|3,0,0]=4 1289 B9R0.2 CC(=O)NCCNCCO 2230a_100000209853_100000211926 [0,1,0,0,0,0|3,0,0]=4 1290 B9R0.2 CC(=O)NCCNCCO 2230a_100016997473_100000189650 [0,1,0,0,0,0|3,0,0]=4 1291 B9R0.2 CC(=O)NCCOCCF 34a_100000158858_100011217306 [0,1,0,0,0,0|3,0,0]=4 1292 B9R0.2 CC(=O)NCCOCCO 240690a_100000211614_100015343762 [0,1,0,0,0,0|3,0,0]=4 1293 B9R0.2 CC(=O)NCCOCCO 34a_100000158858_100000211926 [0,1,0,0,0,0|3,0,0]=4 1294 B9R0.2 CC(=O)NCCSCCF 62a_100000189650_100011217306 [0,1,0,0,0,0|3,0,0]=4 1295 B9R0.2 CC(=O)NCCSCCF 62a_100011217306_100000189650 [0,1,0,0,0,0|3,0,0]=4 1296 B9R0.2 CC(=O)NCCSCCO 240690a_100011219999_100015343762 [0,1,0,0,0,0|3,0,0]=4 1297 B9R0.2 CC(=O)NCCSCCO 527a_100011219999_100103153847 [0,1,0,0,0,0|3,0,0]=4 1298 B9R0.2 CC(=O)NCCSCCO 62a_100000189650_100000211926 [0,1,0,0,0,0|3,0,0]=4 1299 B9R0.2 CC(=O)NCCSCCO 62a_100000211926_100000189650 [0,1,0,0,0,0|3,0,0]=4 1300 B9R0.2 CC(=O)OCCCCO[13CH3] 34a_100000073216_200025704644 [0,1,0,0,0,0|3,0,0]=4 1301 B9R0.2 CC(=O)OCCCCO[13CH3] 7a_100000073216_200025704644 [0,1,0,0,0,0|3,0,0]=4 1302 B9R0.2 CC(=O)OCCCCS[13CH3] 62a_100000033659_200025704644 [0,1,0,0,0,0|3,0,0]=4 1303 B9R0.2 CC(=O)OCCCCS[13CH3] 62a_200025704644_100000033659 [0,1,0,0,0,0|3,0,0]=4 1304 B9R0.2 CC(=O)OCCCSCF 62a_100000042594_100015361967 [0,1,0,0,0,0|3,0,0]=4 1305 B9R0.2 CC(=O)OCCCSCF 62a_100015361967_100000042594 [0,1,0,0,0,0|3,0,0]=4 1306 B9R0.2 CC(=O)OCCNCCF 34a_100000724931_100009814007 [0,1,0,0,0,0|3,0,0]=4 1307 B9R0.2 CC(=O)OCCNCCO 34a_100016990907_100009814007 [0,1,0,0,0,0|3,0,0]=4 1308 B9R0.2 CC(=O)OCCOCCBr 34a_100000211926_100009814007 [0,1,0,0,0,0|3,0,0]=4 1309 B9R0.2 CC(=O)OCCOCCN 34a_100000210304_100009814007 [0,1,0,0,0,0|2,0,0]=3 1310 B9R0.2 CC(=O)OCCSCCF 62a_100009814007_100011217306 [0,1,0,0,0,0|3,0,0]=4 1311 B9R0.2 CC(=O)OCCSCCF 62a_100011217306_100009814007 [0,1,0,0,0,0|3,0,0]=4 1312 B9R0.2 CC(=O)OCCSCCO 62a_100000211926_100009814007 [0,1,0,0,0,0|3,0,0]=4 1313 B9R0.2 CC(=O)OCCSCCO 62a_100009814007_100000211926 [0,1,0,0,0,0|3,0,0]=4 1314 B9R0.2 CC(=O)OCNCCCF 34a_100015189416_100009813279 [0,1,0,0,0,0|3,0,0]=4 1315 B9R0.2 CC(=O)OCOCCCBr 34a_100011217188_100009813279 [0,1,0,0,0,0|3,0,0]=4 1316 B9R0.2 CC(=O)OCOCCCCl 34a_100000230001_100009813279 [0,1,0,0,0,0|3,0,0]=4 1317 B9R0.2 CC(=O)OCOCCCF 34a_100000759539_100009813279 [0,1,0,0,0,0|3,0,0]=4 1318 B9R0.2 CC(=O)OCOCCCN 34a_100000182051_100009813279 [0,1,0,0,0,0|2,0,0]=3 1319 B9R0.2 CC(=O)OCOCCON 34a_100000700252_100009813279 [0,1,0,0,0,0|3,0,0]=4 1320 B9R0.2 CC(=O)OCSCCCF 62a_100000076356_100011934791 [0,1,0,0,0,0|3,0,0]=4 1321 B9R0.2 CC(=O)OCSCCCF 62a_100011934791_100000076356 [0,1,0,0,0,0|3,0,0]=4 1322 B9R0.2 CC(=O)OCSCCCO 62a_100000076356_100011215043 [0,1,0,0,0,0|3,0,0]=4 1323 B9R0.2 CC(=O)OCSCCCO 62a_100011215043_100000076356 [0,1,0,0,0,0|3,0,0]=4 1324 B9R0.2 CC(=O)SCCCCS[13CH3] 62a_200010402107_200025704644 [0,1,0,0,0,0|3,0,0]=4 1325 B9R0.2 CC(=O)SCCCCS[13CH3] 62a_200025704644_200010402107 [0,1,0,0,0,0|3,0,0]=4 1326 B9R0.2 CC(=O)SCCCSCF 62a_100000038929_100015361967 [0,1,0,0,0,0|3,0,0]=4 1327 B9R0.2 CC(=O)SCCCSCF 62a_100015361967_100000038929 [0,1,0,0,0,0|3,0,0]=4 1328 B9R0.2 CC(C)CCCCCN[13CH3] 2230a_100011290863_200025704644 [0,1,0,0,0,0|2,0,1]=4 1329 B9R0.2 CC(C)CCCCCN[13CH3] 34a_100011290863_200025704644 [0,1,0,0,0,0|2,0,1]=4 1330 B9R0.2 CC(C)CCCOCCN 34a_100000210304_100011214892 [0,1,0,0,0,0|2,0,1]=4 1331 B9R0.2 CC(C)CCOCCCN 34a_100000182051_100000210312 [0,1,0,0,0,0|2,0,1]=4 1332 B9R0.2 CC(C)COCCCCN 34a_100000750430_100000210624 [0,1,0,0,0,0|2,0,1]=4 1333 B9R0.2 CC(C)OCCCCCN 34a_100000762737_100000210206 [0,1,0,0,0,0|2,0,1]=4 1334 B9R0.2 CC(O)CCCNCCF 34a_100000724931_200000718107 [0,1,0,0,0,0|2,0,1]=4 1335 B9R0.2 CC(O)CCCNCCO 2230a_100016997473_200000718107 [0,1,0,0,0,0|2,0,1]=4 1336 B9R0.2 CC(O)CCCNCCO 34a_100016990907_200000718107 [0,1,0,0,0,0|2,0,1]=4 1337 B9R0.2 CC(O)CCCOCCBr 34a_100000211926_200000718107 [0,1,0,0,0,0|2,0,1]=4 1338 B9R0.2 CC(O)CCCOCCN 34a_100000210304_200000718107 [0,1,0,0,0,0|1,0,1]=3 1339 B9R0.2 CC(O)CCCSCCF 62a_100011217306_200000718107 [0,1,0,0,0,0|2,0,1]=4 1340 B9R0.2 CC(O)CCCSCCF 62a_200000718107_100011217306 [0,1,0,0,0,0|2,0,1]=4 1341 B9R0.2 CC(O)CCCSCCO 62a_100000211926_200000718107 [0,1,0,0,0,0|2,0,1]=4 1342 B9R0.2 CC(O)CCCSCCO 62a_200000718107_100000211926 [0,1,0,0,0,0|2,0,1]=4 1343 B9R0.2 CC(O)CCNCCCF 2230a_100015189416_100012276601 [0,1,0,0,0,0|2,0,1]=4 1344 B9R0.2 CC(O)CCNCCCF 2230a_200000755665_100011934791 [0,1,0,0,0,0|2,0,1]=4 1345 B9R0.2 CC(O)CCNCCCF 34a_100015189416_100012276601 [0,1,0,0,0,0|2,0,1]=4 1346 B9R0.2 CC(O)CCNCCCO 2230a_200000755665_100000230001 [0,1,0,0,0,0|2,0,1]=4 1347 B9R0.2 CC(O)CCOCCCBr 34a_100011217188_100012276601 [0,1,0,0,0,0|2,0,1]=4 1348 B9R0.2 CC(O)CCOCCCCl 34a_100000230001_100012276601 [0,1,0,0,0,0|2,0,1]=4 1349 B9R0.2 CC(O)CCOCCCF 34a_100000759539_100012276601 [0,1,0,0,0,0|2,0,1]=4 1350 B9R0.2 CC(O)CCOCCCN 34a_100000182051_100012276601 [0,1,0,0,0,0|1,0,1]=3 1351 B9R0.2 CC(O)CCOCCON 34a_100000700252_100012276601 [0,1,0,0,0,0|2,0,1]=4 1352 B9R0.2 CC(O)CCSCCCF 62a_100011934791_100012276601 [0,1,0,0,0,0|2,0,1]=4 1353 B9R0.2 CC(O)CCSCCCF 62a_100012276601_100011934791 [0,1,0,0,0,0|2,0,1]=4 1354 B9R0.2 CC(O)CCSCCCO 62a_100011215043_100012276601 [0,1,0,0,0,0|2,0,1]=4 1355 B9R0.2 CC(O)CCSCCCO 62a_100012276601_100011215043 [0,1,0,0,0,0|2,0,1]=4 1356 B9R0.2 CC(O)CNCCCCF 2230a_100000210904_100000729493 [0,1,0,0,0,0|2,0,1]=4 1357 B9R0.2 CC(O)CNCCCCF 34a_100000210904_100000729493 [0,1,0,0,0,0|2,0,1]=4 1358 B9R0.2 CC(O)CNCCCCO 2230a_100000210904_100000210776 [0,1,0,0,0,0|2,0,1]=4 1359 B9R0.2 CC(O)CNCCCCO 2230a_100000750430_100011218427 [0,1,0,0,0,0|2,0,1]=4 1360 B9R0.2 CC(O)CNCCCCO 34a_100000210904_100011216708 [0,1,0,0,0,0|2,0,1]=4 1361 B9R0.2 CC(O)CNCCCCO 34a_100000750430_100011218427 [0,1,0,0,0,0|2,0,1]=4 1362 B9R0.2 CC(O)COCCCCBr 34a_100011216708_100011218427 [0,1,0,0,0,0|2,0,1]=4 1363 B9R0.2 CC(O)COCCCCCl 34a_100000210776_100011218427 [0,1,0,0,0,0|2,0,1]=4 1364 B9R0.2 CC(O)COCCCCCl 7a_100000210776_100011218427 [0,1,0,0,0,0|2,0,1]=4 1365 B9R0.2 CC(O)COCCCCF 34a_100011995726_100011218427 [0,1,0,0,0,0|2,0,1]=4 1366 B9R0.2 CC(O)COCCCCF 7a_100011995726_100011218427 [0,1,0,0,0,0|2,0,1]=4 1367 B9R0.2 CC(O)COCCCCI 34a_200012148704_100011218427 [0,1,0,0,0,0|2,0,1]=4 1368 B9R0.2 CC(O)COCCCCN 34a_100000750430_100011218427 [0,1,0,0,0,0|1,0,1]=3 1369 B9R0.2 CC(O)CSCCCCF 62a_100000729493_100011218427 [0,1,0,0,0,0|2,0,1]=4 1370 B9R0.2 CC(O)CSCCCCF 62a_100011218427_100000729493 [0,1,0,0,0,0|2,0,1]=4 1371 B9R0.2 CC(O)CSCCCCO 62a_100000210776_100011218427 [0,1,0,0,0,0|2,0,1]=4 1372 B9R0.2 CC(O)CSCCCCO 62a_100011218427_100000210776 [0,1,0,0,0,0|2,0,1]=4 1373 B9R0.2 CC/C=C\CNCC(=O)O 269956a_100016091260_100103147603 [0,1,0,0,0,0|1,0,2]=4 1374 B9R0.2 CCC#CCNCC(=O)O 269956a_100016091260_100009813939 [0,1,0,0,0,0|1,0,2]=4 1375 B9R0.2 CCCC/C=C/CC(=O)C 1458a_200016282684_200000210301 [0,1,0,0,0,0|2,0,1]=4 1376 B9R0.2 CCCC/C=C/CC(=O)[13CH3] 1458a_200016282684_200025704644 [0,1,0,0,0,0|2,0,1]=4 1377 B9R0.2 CCCCCC#CC(=O)C 1458a_100011215388_200000210301 [0,1,0,0,0,0|2,0,1]=4 1378 B9R0.2 CCCCCC#CC(=O)[13CH3] 1458a_100011215388_200025704644 [0,1,0,0,0,0|2,0,1]=4 1379 B9R0.2 CCCCCC=CC(=O)C 1458a_100016263427_200000210301 [0,1,0,0,0,0|2,0,1]=4 1380 B9R0.2 CCCCCC=CC(=O)[13CH3] 1458a_100016263427_200025704644 [0,1,0,0,0,0|2,0,1]=4 1381 B9R0.2 CCCCCCCC(=O)C 1458a_100000070787_100000210614 [0,1,0,0,0,0|2,0,0]=3 1382 B9R0.2 CCCCCCCC(=O)C 1458a_100000211969_200000210301 [0,1,0,0,0,0|2,0,0]=3 1383 B9R0.2 CCCCCCCC(=O)[13CH3] 1458a_100000211969_200025704644 [0,1,0,0,0,0|2,0,0]=3 1384 B9R0.2 CCCCCCNC(=O)C 11a_100000210581_100015343762 [0,1,0,0,0,0|2,0,0]=3 1385 B9R0.2 CCCCCCNC(=O)C 1626a_100000210581_100015343762 [0,1,0,0,0,0|2,0,0]=3 1386 B9R0.2 CCCCCCNC(=O)C 240690a_100000210581_100015343762 [0,1,0,0,0,0|2,0,0]=3 1387 B9R0.2 CCCCCCNC(=O)C 527a_100000210581_100103153847 [0,1,0,0,0,0|2,0,0]=3 1388 B9R0.2 CCCCCNCC(=O)N 2230a_100000209983_100000747473 [0,1,0,0,0,0|2,0,0]=3 1389 B9R0.2 CCCCCNCC(=O)N 2230a_100000711301_100000210326 [0,1,0,0,0,0|2,0,0]=3 1390 B9R0.2 CCCCCNCC(=O)O 269956a_100016091260_100000210326 [0,1,0,0,0,0|1,0,0]=2 1391 B9R0.2 CCCCCNCC(C)O 2230a_100000209983_100011218427 [0,1,0,0,0,0|2,0,1]=4 1392 B9R0.2 CCCCCNCC(C)O 2230a_100000210904_100000210326 [0,1,0,0,0,0|2,0,1]=4 1393 B9R0.2 CCCCCNCC(C)O 34a_100000210904_100000718602 [0,1,0,0,0,0|2,0,1]=4 1394 B9R0.2 CCCCCNC[C@@H](C)O 2230a_100000209983_100009817552 [0,1,0,0,0,0|2,0,1]=4 1395 B9R0.2 CCCCCNNC(=O)C 22a_100000694160_100000070787 [0,1,0,0,0,0|3,0,0]=4 1396 B9R0.2 CCCCCOCC(=O)C 34a_100000211253_100000718602 [0,1,0,0,0,0|2,0,0]=3 1397 B9R0.2 CCCCCOCC(=O)N 34a_100000210253_100000187820 [0,1,0,0,0,0|2,0,0]=3 1398 B9R0.2 CCCCCOCC(=O)N 7a_100000210253_100000187820 [0,1,0,0,0,0|2,0,0]=3 1399 B9R0.2 CCCCCOCC(=O)[O-] 34a_100000210253_100020667443 [0,1,0,0,0,0|1,0,1]=3 1400 B9R0.2 CCCCCOCC(C)O 34a_100000210253_100011218427 [0,1,0,0,0,0|2,0,1]=4 1401 B9R0.2 CCCCCOCC(C)O 7a_100000210253_100011218427 [0,1,0,0,0,0|2,0,1]=4 1402 B9R0.2 CCCCCOC[C@@H](C)O 34a_100000210253_100009817552 [0,1,0,0,0,0|2,0,1]=4 1403 B9R0.2 CCCCCOC[C@@H](C)O 7a_100000210253_100009817552 [0,1,0,0,0,0|2,0,1]=4 1404 B9R0.2 CCCCCOC[N+](=O)[O-] 34a_100000210253_100000761209 [0,1,0,0,0,0|2,0,1]=4 1405 B9R0.2 CCCCCSCC(=O)N 62a_100000210326_100000747473 [0,1,0,0,0,0|2,0,0]=3 1406 B9R0.2 CCCCCSCC(=O)N 62a_100000747473_100000210326 [0,1,0,0,0,0|2,0,0]=3 1407 B9R0.2 CCCCCSCC(=O)[O-] 62a_100000210326_100020667443 [0,1,0,0,0,0|1,0,1]=3 1408 B9R0.2 CCCCCSCC(=O)[O-] 62a_100020667443_100000210326 [0,1,0,0,0,0|1,0,1]=3 1409 B9R0.2 CCCCCSCC(C)O 62a_100000210326_100011218427 [0,1,0,0,0,0|2,0,1]=4 1410 B9R0.2 CCCCCSCC(C)O 62a_100011218427_100000210326 [0,1,0,0,0,0|2,0,1]=4 1411 B9R0.2 CCCCCSC[C@@H](C)O 62a_100000210326_100009817552 [0,1,0,0,0,0|2,0,1]=4 1412 B9R0.2 CCCCCSC[C@@H](C)O 62a_100009817552_100000210326 [0,1,0,0,0,0|2,0,1]=4 1413 B9R0.2 CCCCCSC[N+](=O)[O-] 62a_100000210326_100000761209 [0,1,0,0,0,0|2,0,1]=4 1414 B9R0.2 CCCCNCCC(=O)C 7a_106832991798_100000053229 [0,1,0,0,0,0|2,0,0]=3 1415 B9R0.2 CCCCNCCC(=O)N 2230a_100000102301_100000744528 [0,1,0,0,0,0|2,0,0]=3 1416 B9R0.2 CCCCNCCC(=O)N 7a_106832991798_100000744528 [0,1,0,0,0,0|2,0,0]=3 1417 B9R0.2 CCCCNCCC(C)O 2230a_100000102301_100012276601 [0,1,0,0,0,0|2,0,1]=4 1418 B9R0.2 CCCCNCCC(C)O 2230a_200000755665_100000210211 [0,1,0,0,0,0|2,0,1]=4 1419 B9R0.2 CCCCNCCC(C)O 7a_106832991798_100012276601 [0,1,0,0,0,0|2,0,1]=4 1420 B9R0.2 CCCCNOCC(=O)O 269956a_100000106656_100000210211 [0,1,0,0,0,0|2,0,0]=3 1421 B9R0.2 CCCCOCCC(=O)C 1458a_100000070787_100000743108 [0,1,0,0,0,0|2,0,0]=3 1422 B9R0.2 CCCCOCCC(=O)C 34a_100000759926_100000210210 [0,1,0,0,0,0|2,0,0]=3 1423 B9R0.2 CCCCOCCC(=O)C 7a_100000210227_100000053229 [0,1,0,0,0,0|2,0,0]=3 1424 B9R0.2 CCCCOCCC(=O)C 7a_100000759926_100000210211 [0,1,0,0,0,0|2,0,0]=3 1425 B9R0.2 CCCCOCCC(=O)N 34a_100000210227_100000731001 [0,1,0,0,0,0|2,0,0]=3 1426 B9R0.2 CCCCOCCC(=O)N 34a_100000757172_100000210210 [0,1,0,0,0,0|2,0,0]=3 1427 B9R0.2 CCCCOCCC(=O)N 7a_100000210227_100000744528 [0,1,0,0,0,0|2,0,0]=3 1428 B9R0.2 CCCCOCCC(=O)N 7a_100000757172_100000210211 [0,1,0,0,0,0|2,0,0]=3 1429 B9R0.2 CCCCOCCC(C)O 34a_100000210227_100012276601 [0,1,0,0,0,0|2,0,1]=4 1430 B9R0.2 CCCCOCCC(C)O 7a_100000210227_100012276601 [0,1,0,0,0,0|2,0,1]=4 1431 B9R0.2 CCCCOCOC(=O)C 34a_100000210227_100009813279 [0,1,0,0,0,0|3,0,0]=4 1432 B9R0.2 CCCCSCCC(=O)C 62a_100000053229_100000210210 [0,1,0,0,0,0|2,0,0]=3 1433 B9R0.2 CCCCSCCC(=O)C 62a_100000210211_100000053229 [0,1,0,0,0,0|2,0,0]=3 1434 B9R0.2 CCCCSCCC(=O)N 62a_100000210211_100000744528 [0,1,0,0,0,0|2,0,0]=3 1435 B9R0.2 CCCCSCCC(=O)N 62a_100000744528_100000210210 [0,1,0,0,0,0|2,0,0]=3 1436 B9R0.2 CCCCSCCC(C)O 62a_100000210211_100012276601 [0,1,0,0,0,0|2,0,1]=4 1437 B9R0.2 CCCCSCCC(C)O 62a_100012276601_100000210210 [0,1,0,0,0,0|2,0,1]=4 1438 B9R0.2 CCCCSCOC(=O)C 62a_100000076356_100000210210 [0,1,0,0,0,0|3,0,0]=4 1439 B9R0.2 CCCCSCOC(=O)C 62a_100000210211_100000076356 [0,1,0,0,0,0|3,0,0]=4 1440 B9R0.2 CCCNCCCC(=O)N 34a_100000739312_100000210303 [0,1,0,0,0,0|2,0,0]=3 1441 B9R0.2 CCCNCCCS(=O)C 2230a_200000753449_100000210303 [0,1,0,0,0,0|3,0,0]=4 1442 B9R0.2 CCCNCCNC(=O)C 2230a_100000209853_100000210303 [0,1,0,0,0,0|3,0,0]=4 1443 B9R0.2 CCCNCCNC(=O)N 34a_100020590234_100000210303 [0,1,0,0,0,0|3,0,0]=4 1444 B9R0.2 CCCOCCCC(=O)C 34a_100000210258_100000685027 [0,1,0,0,0,0|2,0,0]=3 1445 B9R0.2 CCCOCCCC(=O)C 34a_100000759063_100000210303 [0,1,0,0,0,0|2,0,0]=3 1446 B9R0.2 CCCOCCCC(=O)C 7a_100000759063_100000210303 [0,1,0,0,0,0|2,0,0]=3 1447 B9R0.2 CCCOCCCC(=O)N 34a_100000210258_100102525003 [0,1,0,0,0,0|2,0,0]=3 1448 B9R0.2 CCCOCCCC(C)O 34a_100000210258_200000718107 [0,1,0,0,0,0|2,0,1]=4 1449 B9R0.2 CCCOCCC[N+](=O)[O-] 34a_200000037920_100000210303 [0,1,0,0,0,0|2,0,1]=4 1450 B9R0.2 CCCOCCNC(=O)C 1626a_100161115042_100015343762 [0,1,0,0,0,0|3,0,0]=4 1451 B9R0.2 CCCOCCNC(=O)C 240690a_100161115042_100015343762 [0,1,0,0,0,0|3,0,0]=4 1452 B9R0.2 CCCOCCNC(=O)C 34a_100000158858_100000210303 [0,1,0,0,0,0|3,0,0]=4 1453 B9R0.2 CCCOCCNC(=O)C 527a_100161115042_100103153847 [0,1,0,0,0,0|3,0,0]=4 1454 B9R0.2 CCCOCCNC(=O)N 34a_100000181757_100000210303 [0,1,0,0,0,0|3,0,0]=4 1455 B9R0.2 CCCOCCOC(=O)C 34a_100000210258_100009814007 [0,1,0,0,0,0|3,0,0]=4 1456 B9R0.2 CCCOCCOC(=O)N 34a_100000210258_200011214921 [0,1,0,0,0,0|3,0,0]=4 1457 B9R0.2 CCCOCCOC(=O)N 7a_100000766696_100000210303 [0,1,0,0,0,0|3,0,0]=4 1458 B9R0.2 CCCSCCCC(=O)C 62a_100000210303_100011215641 [0,1,0,0,0,0|2,0,0]=3 1459 B9R0.2 CCCSCCCC(=O)C 62a_100011215641_100000210303 [0,1,0,0,0,0|2,0,0]=3 1460 B9R0.2 CCCSCCCC(=O)N 62a_100000210303_100102525003 [0,1,0,0,0,0|2,0,0]=3 1461 B9R0.2 CCCSCCCC(=O)N 62a_100102525003_100000210303 [0,1,0,0,0,0|2,0,0]=3 1462 B9R0.2 CCCSCCCC(C)O 62a_100000210303_200000718107 [0,1,0,0,0,0|2,0,1]=4 1463 B9R0.2 CCCSCCCC(C)O 62a_200000718107_100000210303 [0,1,0,0,0,0|2,0,1]=4 1464 B9R0.2 CCCSCCNC(=O)C 11a_100020603323_100015343762 [0,1,0,0,0,0|3,0,0]=4 1465 B9R0.2 CCCSCCNC(=O)C 240690a_100020603323_100015343762 [0,1,0,0,0,0|3,0,0]=4 1466 B9R0.2 CCCSCCNC(=O)C 527a_100020603323_100103153847 [0,1,0,0,0,0|3,0,0]=4 1467 B9R0.2 CCCSCCNC(=O)C 62a_100000189650_100000210303 [0,1,0,0,0,0|3,0,0]=4 1468 B9R0.2 CCCSCCNC(=O)C 62a_100000210303_100000189650 [0,1,0,0,0,0|3,0,0]=4 1469 B9R0.2 CCCSCCNC(=O)N 62a_100000210303_200000034859 [0,1,0,0,0,0|3,0,0]=4 1470 B9R0.2 CCCSCCNC(=O)N 62a_200000034859_100000210303 [0,1,0,0,0,0|3,0,0]=4 1471 B9R0.2 CCCSCCOC(=O)C 62a_100000210303_100009814007 [0,1,0,0,0,0|3,0,0]=4 1472 B9R0.2 CCCSCCOC(=O)C 62a_100009814007_100000210303 [0,1,0,0,0,0|3,0,0]=4 1473 B9R0.2 CCCSCCOC(=O)N 62a_100000210303_200011214921 [0,1,0,0,0,0|3,0,0]=4 1474 B9R0.2 CCCSCCOC(=O)N 62a_200011214921_100000210303 [0,1,0,0,0,0|3,0,0]=4 1475 B9R0.2 CCNCCCCB(O)O 2230a_100015525214_200009817182 [0,1,0,0,0,0|2,0,1]=4 1476 B9R0.2 CCNCCCCC(=O)N 34a_100000696515_100000210202 [0,1,0,0,0,0|2,0,0]=3 1477 B9R0.2 CCNCCCNC(=O)C 34a_100000736810_100000210202 [0,1,0,0,0,0|3,0,0]=4 1478 B9R0.2 CCNCCCSC(=O)C 2230a_100015525214_100000038929 [0,1,0,0,0,0|3,0,0]=4 1479 B9R0.2 CCNCCOCC(=O)N 2230a_100015525214_100000076697 [0,1,0,0,0,0|3,0,0]=4 1480 B9R0.2 CCNCCOCC(=O)O 269956a_100000700818_100000210202 [0,1,0,0,0,0|2,0,0]=3 1481 B9R0.2 CCOCCCCB(O)O 34a_100121572206_200009817182 [0,1,0,0,0,0|2,0,1]=4 1482 B9R0.2 CCOCCCCC(=O)C 34a_100121572206_100009817362 [0,1,0,0,0,0|2,0,0]=3 1483 B9R0.2 CCOCCCCC(=O)N 34a_100012022536_100000210202 [0,1,0,0,0,0|2,0,0]=3 1484 B9R0.2 CCOCCCCC(=O)N 7a_100012022536_100000210202 [0,1,0,0,0,0|2,0,0]=3 1485 B9R0.2 CCOCCCC[N+](=O)[O-] 34a_200015379883_100000210202 [0,1,0,0,0,0|2,0,1]=4 1486 B9R0.2 CCOCCCC[N+](=O)[O-] 7a_200015379883_100000210202 [0,1,0,0,0,0|2,0,1]=4 1487 B9R0.2 CCOCCCNC(=O)C 11a_100000210961_100015343762 [0,1,0,0,0,0|3,0,0]=4 1488 B9R0.2 CCOCCCNC(=O)C 1626a_100000210961_100015343762 [0,1,0,0,0,0|3,0,0]=4 1489 B9R0.2 CCOCCCNC(=O)C 240690a_100000210961_100015343762 [0,1,0,0,0,0|3,0,0]=4 1490 B9R0.2 CCOCCCNC(=O)C 34a_100000752032_100000210202 [0,1,0,0,0,0|3,0,0]=4 1491 B9R0.2 CCOCCCNC(=O)C 527a_100000210961_100103153847 [0,1,0,0,0,0|3,0,0]=4 1492 B9R0.2 CCOCCCOC(=O)C 34a_100121572206_100000042594 [0,1,0,0,0,0|3,0,0]=4 1493 B9R0.2 CCOCCCSC(=O)C 34a_100121572206_100000038929 [0,1,0,0,0,0|3,0,0]=4 1494 B9R0.2 CCOCCNCC(=O)N 2230a_100000711301_100011215890 [0,1,0,0,0,0|3,0,0]=4 1495 B9R0.2 CCOCCNCC(=O)N 2230a_102516460346_100000747473 [0,1,0,0,0,0|3,0,0]=4 1496 B9R0.2 CCOCCNCC(=O)N 34a_102516460346_100000187820 [0,1,0,0,0,0|3,0,0]=4 1497 B9R0.2 CCOCCNCC(=O)O 269956a_100016091260_100000210147 [0,1,0,0,0,0|2,0,0]=3 1498 B9R0.2 CCOCCNCC(=O)[O-] 34a_102516460346_100020667443 [0,1,0,0,0,0|2,0,1]=4 1499 B9R0.2 CCOCCOCC(=O)C 34a_100000211253_100000210147 [0,1,0,0,0,0|3,0,0]=4 1500 B9R0.2 CCOCCOCC(=O)N 34a_100000210136_100000187820 [0,1,0,0,0,0|3,0,0]=4 1501 B9R0.2 CCOCCOCC(=O)N 34a_100121572206_100000076697 [0,1,0,0,0,0|3,0,0]=4 1502 B9R0.2 CCOCCOCC(=O)N 7a_100000210136_100000187820 [0,1,0,0,0,0|3,0,0]=4 1503 B9R0.2 CCOCCOCC(=O)[O-] 34a_100000210136_100020667443 [0,1,0,0,0,0|2,0,1]=4 1504 B9R0.2 CCOCCSCC(=O)N 62a_100000210147_100000747473 [0,1,0,0,0,0|3,0,0]=4 1505 B9R0.2 CCOCCSCC(=O)N 62a_100000747473_100011215890 [0,1,0,0,0,0|3,0,0]=4 1506 B9R0.2 CCOCCSCC(=O)[O-] 62a_100000210147_100020667443 [0,1,0,0,0,0|2,0,1]=4 1507 B9R0.2 CCOCCSCC(=O)[O-] 62a_100020667443_100011215890 [0,1,0,0,0,0|2,0,1]=4 1508 B9R0.2 CCOCNOCC(=O)O 269956a_100000106656_100000739092 [0,1,0,0,0,0|3,0,0]=4 1509 B9R0.2 CCOCSCCC(=O)C 62a_100000053229_100000739092 [0,1,0,0,0,0|3,0,0]=4 1510 B9R0.2 CCOCSCCC(=O)C 62a_100000739092_100000053229 [0,1,0,0,0,0|3,0,0]=4 1511 B9R0.2 CCOCSCCC(=O)N 62a_100000739092_100000744528 [0,1,0,0,0,0|3,0,0]=4 1512 B9R0.2 CCOCSCCC(=O)N 62a_100000744528_100000739092 [0,1,0,0,0,0|3,0,0]=4 1513 B9R0.2 CCSCCCCB(O)O 62a_100000210202_200009817182 [0,1,0,0,0,0|2,0,1]=4 1514 B9R0.2 CCSCCCCB(O)O 62a_200009817182_100000210202 [0,1,0,0,0,0|2,0,1]=4 1515 B9R0.2 CCSCCCCC(=O)C 62a_100000210202_100000735457 [0,1,0,0,0,0|2,0,0]=3 1516 B9R0.2 CCSCCCCC(=O)C 62a_100000735457_100000210202 [0,1,0,0,0,0|2,0,0]=3 1517 B9R0.2 CCSCCCOC(=O)C 62a_100000042594_100000210202 [0,1,0,0,0,0|3,0,0]=4 1518 B9R0.2 CCSCCCOC(=O)C 62a_100000210202_100000042594 [0,1,0,0,0,0|3,0,0]=4 1519 B9R0.2 CCSCCCSC(=O)C 62a_100000038929_100000210202 [0,1,0,0,0,0|3,0,0]=4 1520 B9R0.2 CCSCCCSC(=O)C 62a_100000210202_100000038929 [0,1,0,0,0,0|3,0,0]=4 1521 B9R0.2 CCSCCNCC(=O)N 2230a_100000106463_100000747473 [0,1,0,0,0,0|3,0,0]=4 1522 B9R0.2 CCSCCNCC(=O)N 2230a_100000711301_100000757381 [0,1,0,0,0,0|3,0,0]=4 1523 B9R0.2 CCSCCNCC(=O)O 269956a_100016091260_100000757381 [0,1,0,0,0,0|2,0,0]=3 1524 B9R0.2 CCSCCOCC(=O)C 34a_100000211253_100000757381 [0,1,0,0,0,0|3,0,0]=4 1525 B9R0.2 CCSCCOCC(=O)N 34a_100000212035_100000187820 [0,1,0,0,0,0|3,0,0]=4 1526 B9R0.2 CCSCCOCC(=O)N 62a_100000076697_100000210202 [0,1,0,0,0,0|3,0,0]=4 1527 B9R0.2 CCSCCOCC(=O)N 62a_100000210202_100000076697 [0,1,0,0,0,0|3,0,0]=4 1528 B9R0.2 CCSCCOCC(=O)N 7a_100000212035_100000187820 [0,1,0,0,0,0|3,0,0]=4 1529 B9R0.2 CCSCCOCC(=O)[O-] 34a_100000212035_100020667443 [0,1,0,0,0,0|2,0,1]=4 1530 B9R0.2 CCSCCSCC(=O)N 62a_100000747473_100000757381 [0,1,0,0,0,0|3,0,0]=4 1531 B9R0.2 CCSCCSCC(=O)N 62a_100000757381_100000747473 [0,1,0,0,0,0|3,0,0]=4 1532 B9R0.2 CCSCCSCC(=O)[O-] 62a_100000757381_100020667443 [0,1,0,0,0,0|2,0,1]=4 1533 B9R0.2 CCSCCSCC(=O)[O-] 62a_100020667443_100000757381 [0,1,0,0,0,0|2,0,1]=4 1534 B9R0.2 CNCCCCCB(O)O 2230a_106832991635_200009817188 [0,1,0,0,0,0|1,0,1]=3 1535 B9R0.2 CNCCCCCB(O)O 34a_100102657272_200009817188 [0,1,0,0,0,0|1,0,1]=3 1536 B9R0.2 CNCCCCCB(O)O 7a_106832991635_200009817188 [0,1,0,0,0,0|1,0,1]=3 1537 B9R0.2 CNCCCCCC(=O)N 2230a_106832991635_100009817443 [0,1,0,0,0,0|1,0,0]=2 1538 B9R0.2 CNCCCCCC(=O)N 34a_100102657272_100009817443 [0,1,0,0,0,0|1,0,0]=2 1539 B9R0.2 CNCCCCCC(=O)N 7a_106832991635_100009817443 [0,1,0,0,0,0|1,0,0]=2 1540 B9R0.2 CNCCCCCC(C)C 2230a_100011290863_200000210301 [0,1,0,0,0,0|2,0,1]=4 1541 B9R0.2 CNCCCCCC(C)C 2230a_106832991635_100000210682 [0,1,0,0,0,0|2,0,1]=4 1542 B9R0.2 CNCCCCCC(C)C 34a_100011290863_200000210301 [0,1,0,0,0,0|2,0,1]=4 1543 B9R0.2 CNCCCCCC(C)C 34a_100102657272_100000210682 [0,1,0,0,0,0|2,0,1]=4 1544 B9R0.2 CNCCCCCC(C)C 7a_106832991635_100000210682 [0,1,0,0,0,0|2,0,1]=4 1545 B9R0.2 CNCCCCNC(=O)C 2230a_200011368371_200000210301 [0,1,0,0,0,0|2,0,0]=3 1546 B9R0.2 CNCCCCNC(=O)C 34a_200011368371_200000210301 [0,1,0,0,0,0|2,0,0]=3 1547 B9R0.2 CNCCCCOC(=O)C 34a_100102657272_100000033659 [0,1,0,0,0,0|2,0,0]=3 1548 B9R0.2 CNCCCCOC(=O)C 7a_106832991635_100000033659 [0,1,0,0,0,0|2,0,0]=3 1549 B9R0.2 CNCCCCO[N+](=O)[O-] 34a_100102657272_100015694321 [0,1,0,0,0,0|2,0,1]=4 1550 B9R0.2 CNCCCCO[N+](=O)[O-] 7a_106832991635_100015694321 [0,1,0,0,0,0|2,0,1]=4 1551 B9R0.2 CNCCCCSC(=O)C 2230a_106832991635_200010402107 [0,1,0,0,0,0|2,0,0]=3 1552 B9R0.2 CNCCCCSC(=O)C 34a_100102657272_200010402107 [0,1,0,0,0,0|2,0,0]=3 1553 B9R0.2 CNCCCCSC(=O)C 7a_106832991635_200010402107 [0,1,0,0,0,0|2,0,0]=3 1554 B9R0.2 CNCCCOCC(=O)N 34a_100000213112_100000187820 [0,1,0,0,0,0|2,0,0]=3 1555 B9R0.2 CNCCCOCC(=O)[O-] 34a_100000213112_100020667443 [0,1,0,0,0,0|1,0,1]=3 1556 B9R0.2 CNCCCOCC(C)O 34a_100000213112_100011218427 [0,1,0,0,0,0|2,0,1]=4 1557 B9R0.2 CNCCCOC[C@@H](C)O 34a_100000213112_100009817552 [0,1,0,0,0,0|2,0,1]=4 1558 B9R0.2 CNCCCOC[N+](=O)[O-] 34a_100000213112_100000761209 [0,1,0,0,0,0|2,0,1]=4 1559 B9R0.2 CNCOCCOC(=O)C 34a_100102657272_100000076355 [0,1,0,0,0,0|3,0,0]=4 1560 B9R0.2 COCCCCCB(O)O 34a_100138415774_200009817188 [0,1,0,0,0,0|2,0,1]=4 1561 B9R0.2 COCCCCCC(=O)C 1458a_100011935119_200000210301 [0,1,0,0,0,0|2,0,0]=3 1562 B9R0.2 COCCCCCC(=O)N 34a_100000123541_200000210301 [0,1,0,0,0,0|2,0,0]=3 1563 B9R0.2 COCCCCCC(=O)N 34a_100138415774_100009817443 [0,1,0,0,0,0|2,0,0]=3 1564 B9R0.2 COCCCCCC(=O)N 7a_100000123541_200000210301 [0,1,0,0,0,0|2,0,0]=3 1565 B9R0.2 COCCCCCC(=O)[13CH3] 1458a_100011935119_200025704644 [0,1,0,0,0,0|2,0,0]=3 1566 B9R0.2 COCCCCCC(=O)[O-] 7a_100102619762_200000210301 [0,1,0,0,0,0|1,0,1]=3 1567 B9R0.2 COCCCCOC(=O)C 34a_100000073216_200000210301 [0,1,0,0,0,0|3,0,0]=4 1568 B9R0.2 COCCCCOC(=O)C 34a_100138415774_100000033659 [0,1,0,0,0,0|3,0,0]=4 1569 B9R0.2 COCCCCOC(=O)C 7a_100000073216_200000210301 [0,1,0,0,0,0|3,0,0]=4 1570 B9R0.2 COCCCCSC(=O)C 34a_100138415774_200010402107 [0,1,0,0,0,0|3,0,0]=4 1571 B9R0.2 COCCCNCC(=O)N 2230a_100000711301_100000740836 [0,1,0,0,0,0|3,0,0]=4 1572 B9R0.2 COCCCNCC(=O)N 34a_100150723488_100000187820 [0,1,0,0,0,0|3,0,0]=4 1573 B9R0.2 COCCCNCC(=O)O 269956a_100016091260_100000740836 [0,1,0,0,0,0|2,0,0]=3 1574 B9R0.2 COCCCNCC(=O)[O-] 34a_100150723488_100020667443 [0,1,0,0,0,0|2,0,1]=4 1575 B9R0.2 COCCCOCC(=O)C 34a_100000211253_100000740836 [0,1,0,0,0,0|3,0,0]=4 1576 B9R0.2 COCCCOCC(=O)N 34a_100000740835_100000187820 [0,1,0,0,0,0|3,0,0]=4 1577 B9R0.2 COCCCOCC(=O)[O-] 34a_100000740835_100020667443 [0,1,0,0,0,0|2,0,1]=4 1578 B9R0.2 COCCCSCC(=O)N 62a_100000709357_100000747473 [0,1,0,0,0,0|3,0,0]=4 1579 B9R0.2 COCCCSCC(=O)N 62a_100000747473_100000709357 [0,1,0,0,0,0|3,0,0]=4 1580 B9R0.2 COCCCSCC(=O)[O-] 62a_100000709357_100020667443 [0,1,0,0,0,0|2,0,1]=4 1581 B9R0.2 COCCCSCC(=O)[O-] 62a_100020667443_100000709357 [0,1,0,0,0,0|2,0,1]=4 1582 B9R0.2 COCCNCCC(=O)N 2230a_100000209980_100000744528 [0,1,0,0,0,0|3,0,0]=4 1583 B9R0.2 COCCNOCC(=O)O 269956a_100000106656_100000233755 [0,1,0,0,0,0|3,0,0]=4 1584 B9R0.2 COCCOCCC(=O)C 1458a_100000070787_100000695917 [0,1,0,0,0,0|3,0,0]=4 1585 B9R0.2 COCCOCCC(=O)C 1458a_100000745395_200000210301 [0,1,0,0,0,0|3,0,0]=4 1586 B9R0.2 COCCOCCC(=O)C 34a_100000759926_100011201679 [0,1,0,0,0,0|3,0,0]=4 1587 B9R0.2 COCCOCCC(=O)C 7a_100000759926_100000233755 [0,1,0,0,0,0|3,0,0]=4 1588 B9R0.2 COCCOCCC(=O)N 34a_100000210237_100000731001 [0,1,0,0,0,0|3,0,0]=4 1589 B9R0.2 COCCOCCC(=O)N 34a_100000757172_100011201679 [0,1,0,0,0,0|3,0,0]=4 1590 B9R0.2 COCCOCCC(=O)N 7a_100000757172_100000233755 [0,1,0,0,0,0|3,0,0]=4 1591 B9R0.2 COCCOCCC(=O)[13CH3] 1458a_100000745395_200025704644 [0,1,0,0,0,0|3,0,0]=4 1592 B9R0.2 COCCSCCC(=O)C 62a_100000053229_100000233755 [0,1,0,0,0,0|3,0,0]=4 1593 B9R0.2 COCCSCCC(=O)C 62a_100000233755_100000053229 [0,1,0,0,0,0|3,0,0]=4 1594 B9R0.2 COCCSCCC(=O)N 62a_100000233755_100000744528 [0,1,0,0,0,0|3,0,0]=4 1595 B9R0.2 COCCSCCC(=O)N 62a_100000744528_100000233755 [0,1,0,0,0,0|3,0,0]=4 1596 B9R0.2 COCSCCCC(=O)C 62a_100000766300_100011215641 [0,1,0,0,0,0|3,0,0]=4 1597 B9R0.2 COCSCCCC(=O)C 62a_100011215641_100000766300 [0,1,0,0,0,0|3,0,0]=4 1598 B9R0.2 COCSCCCC(=O)N 62a_100000766300_100102525003 [0,1,0,0,0,0|3,0,0]=4 1599 B9R0.2 COCSCCCC(=O)N 62a_100102525003_100000766300 [0,1,0,0,0,0|3,0,0]=4 1600 B9R0.2 CS(=O)CCCNCCF 2230a_200000753449_100011217306 [0,1,0,0,0,0|3,0,0]=4 1601 B9R0.2 CS(=O)CCCNCCO 2230a_200000753449_100000211926 [0,1,0,0,0,0|3,0,0]=4 1602 B9R0.2 CSCCCCCB(O)O 62a_200000210301_200009817188 [0,1,0,0,0,0|2,0,1]=4 1603 B9R0.2 CSCCCCCB(O)O 62a_200009817188_200000210301 [0,1,0,0,0,0|2,0,1]=4 1604 B9R0.2 CSCCCCCC(=O)N 62a_100009817443_200000210301 [0,1,0,0,0,0|2,0,0]=3 1605 B9R0.2 CSCCCCCC(=O)N 62a_200000210301_100009817443 [0,1,0,0,0,0|2,0,0]=3 1606 B9R0.2 CSCCCCOC(=O)C 62a_100000033659_200000210301 [0,1,0,0,0,0|3,0,0]=4 1607 B9R0.2 CSCCCCOC(=O)C 62a_200000210301_100000033659 [0,1,0,0,0,0|3,0,0]=4 1608 B9R0.2 CSCCCCSC(=O)C 62a_200000210301_200010402107 [0,1,0,0,0,0|3,0,0]=4 1609 B9R0.2 CSCCCCSC(=O)C 62a_200010402107_200000210301 [0,1,0,0,0,0|3,0,0]=4 1610 B9R0.2 CSCCCNCC(=O)N 2230a_100000749238_100000747473 [0,1,0,0,0,0|3,0,0]=4 1611 B9R0.2 CSCCCOCC(=O)N 34a_100000690336_100000187820 [0,1,0,0,0,0|3,0,0]=4 1612 B9R0.2 CSCCCOCC(=O)N 7a_100000690336_100000187820 [0,1,0,0,0,0|3,0,0]=4 1613 B9R0.2 CSCCCOCC(=O)[O-] 34a_100000690336_100020667443 [0,1,0,0,0,0|2,0,1]=4 1614 B9R0.2 CSCCNCCC(=O)N 2230a_100020590264_100000744528 [0,1,0,0,0,0|3,0,0]=4 1615 B9R0.2 CSCCNOCC(=O)O 269956a_100000106656_100000212216 [0,1,0,0,0,0|3,0,0]=4 1616 B9R0.2 CSCCOCCC(=O)C 34a_100000759926_100000212216 [0,1,0,0,0,0|3,0,0]=4 1617 B9R0.2 CSCCOCCC(=O)C 7a_100000230434_100000053229 [0,1,0,0,0,0|3,0,0]=4 1618 B9R0.2 CSCCOCCC(=O)C 7a_100000759926_100000212216 [0,1,0,0,0,0|3,0,0]=4 1619 B9R0.2 CSCCOCCC(=O)N 34a_100000230434_100000731001 [0,1,0,0,0,0|3,0,0]=4 1620 B9R0.2 CSCCOCCC(=O)N 34a_100000757172_100000212216 [0,1,0,0,0,0|3,0,0]=4 1621 B9R0.2 CSCCOCCC(=O)N 7a_100000230434_100000744528 [0,1,0,0,0,0|3,0,0]=4 1622 B9R0.2 CSCCOCCC(=O)N 7a_100000757172_100000212216 [0,1,0,0,0,0|3,0,0]=4 1623 B9R0.2 CSCCSCCC(=O)C 62a_100000053229_100000751147 [0,1,0,0,0,0|3,0,0]=4 1624 B9R0.2 CSCCSCCC(=O)C 62a_100000212216_100000053229 [0,1,0,0,0,0|3,0,0]=4 1625 B9R0.2 CSCCSCCC(=O)N 62a_100000212216_100000744528 [0,1,0,0,0,0|3,0,0]=4 1626 B9R0.2 CSCCSCCC(=O)N 62a_100000744528_100000751147 [0,1,0,0,0,0|3,0,0]=4 1627 B9R0.2 CSCNCCCC(=O)N 34a_100000739312_100011218213 [0,1,0,0,0,0|3,0,0]=4 1628 B9R0.2 CSCOCCCC(=O)C 34a_100000759063_100011218213 [0,1,0,0,0,0|3,0,0]=4 1629 B9R0.2 CSCSCCCC(=O)C 62a_100011215641_100011218213 [0,1,0,0,0,0|3,0,0]=4 1630 B9R0.2 CSCSCCCC(=O)C 62a_100011218213_100011215641 [0,1,0,0,0,0|3,0,0]=4 1631 B9R0.2 CSCSCCCC(=O)N 62a_100011218213_100102525003 [0,1,0,0,0,0|3,0,0]=4 1632 B9R0.2 CSCSCCCC(=O)N 62a_100102525003_100011218213 [0,1,0,0,0,0|3,0,0]=4 1633 B9R0.2 C[C@@H](O)CNCCCCO 2230a_100000750430_100009817552 [0,1,0,0,0,0|2,0,1]=4 1634 B9R0.2 C[C@@H](O)CNCCCCO 34a_100000750430_100009817552 [0,1,0,0,0,0|2,0,1]=4 1635 B9R0.2 C[C@@H](O)COCCCCBr 34a_100011216708_100009817552 [0,1,0,0,0,0|2,0,1]=4 1636 B9R0.2 C[C@@H](O)COCCCCCl 34a_100000210776_100009817552 [0,1,0,0,0,0|2,0,1]=4 1637 B9R0.2 C[C@@H](O)COCCCCCl 7a_100000210776_100009817552 [0,1,0,0,0,0|2,0,1]=4 1638 B9R0.2 C[C@@H](O)COCCCCF 34a_100011995726_100009817552 [0,1,0,0,0,0|2,0,1]=4 1639 B9R0.2 C[C@@H](O)COCCCCF 7a_100011995726_100009817552 [0,1,0,0,0,0|2,0,1]=4 1640 B9R0.2 C[C@@H](O)COCCCCI 34a_200012148704_100009817552 [0,1,0,0,0,0|2,0,1]=4 1641 B9R0.2 C[C@@H](O)COCCCCN 34a_100000750430_100009817552 [0,1,0,0,0,0|1,0,1]=3 1642 B9R0.2 C[C@@H](O)CSCCCCF 62a_100000729493_100009817552 [0,1,0,0,0,0|2,0,1]=4 1643 B9R0.2 C[C@@H](O)CSCCCCF 62a_100009817552_100000729493 [0,1,0,0,0,0|2,0,1]=4 1644 B9R0.2 C[C@@H](O)CSCCCCO 62a_100000210776_100009817552 [0,1,0,0,0,0|2,0,1]=4 1645 B9R0.2 C[C@@H](O)CSCCCCO 62a_100009817552_100000210776 [0,1,0,0,0,0|2,0,1]=4 1646 B9R0.2 N#CCCCNCC(=O)N 2230a_100000711301_100000687738 [0,1,0,0,0,0|1,0,2]=4 1647 B9R0.2 N#CCCCNCC(=O)O 269956a_100016091260_100000687738 [0,1,0,0,0,0|0,0,2]=3 1648 B9R0.2 N#CCCCSCC(=O)N 62a_100000687738_100000747473 [0,1,0,0,0,0|1,0,2]=4 1649 B9R0.2 N#CCCCSCC(=O)N 62a_100000747473_100000687738 [0,1,0,0,0,0|1,0,2]=4 1650 B9R0.2 N#CCCCSCC(=O)[O-] 62a_100000687738_100020667443 [0,1,0,0,0,0|0,0,3]=4 1651 B9R0.2 N#CCCCSCC(=O)[O-] 62a_100020667443_100000687738 [0,1,0,0,0,0|0,0,3]=4 1652 B9R0.2 N#CCCNOCC(=O)O 269956a_100000106656_100011215226 [0,1,0,0,0,0|1,0,2]=4 1653 B9R0.2 N#CCCOCCC(=O)N 7a_100000757172_100000184422 [0,1,0,0,0,0|1,0,2]=4 1654 B9R0.2 N#CCCSCCC(=O)N 62a_100000744528_100011215226 [0,1,0,0,0,0|1,0,2]=4 1655 B9R0.2 N#CCCSCCC(=O)N 62a_100011215226_100000744528 [0,1,0,0,0,0|1,0,2]=4 1656 B9R0.2 N#CCSCCCC(=O)N 62a_100011215382_100102525003 [0,1,0,0,0,0|1,0,2]=4 1657 B9R0.2 N#CCSCCCC(=O)N 62a_100102525003_100011215382 [0,1,0,0,0,0|1,0,2]=4 1658 B9R0.2 N#CSCCNCC(=O)O 269956a_100016091260_100000034367 [0,1,0,0,0,0|1,0,2]=4 1659 B9R0.2 NC(=O)CCCCNCF 34a_100000696515_100015361967 [0,1,0,0,0,0|2,0,0]=3 1660 B9R0.2 NC(=O)CCCCOCF 34a_100012022536_100015361967 [0,1,0,0,0,0|2,0,0]=3 1661 B9R0.2 NC(=O)CCCCOCF 7a_100012022536_100015361967 [0,1,0,0,0,0|2,0,0]=3 1662 B9R0.2 NC(=O)CCCNCC=O 34a_100000739312_200009817547 [0,1,0,0,0,0|2,0,1]=4 1663 B9R0.2 NC(=O)CCCNCCF 34a_100000724931_100102525003 [0,1,0,0,0,0|2,0,0]=3 1664 B9R0.2 NC(=O)CCCNCCF 34a_100000739312_100011217306 [0,1,0,0,0,0|2,0,0]=3 1665 B9R0.2 NC(=O)CCCNCCO 34a_100000739312_100000211926 [0,1,0,0,0,0|2,0,0]=3 1666 B9R0.2 NC(=O)CCCNCCO 34a_100016990907_100102525003 [0,1,0,0,0,0|2,0,0]=3 1667 B9R0.2 NC(=O)CCCOCCBr 34a_100000211926_100102525003 [0,1,0,0,0,0|2,0,0]=3 1668 B9R0.2 NC(=O)CCCSCC=O 62a_100102525003_200015260668 [0,1,0,0,0,0|2,0,1]=4 1669 B9R0.2 NC(=O)CCCSCC=O 62a_200015260668_100102525003 [0,1,0,0,0,0|2,0,1]=4 1670 B9R0.2 NC(=O)CCCSCCF 62a_100011217306_100102525003 [0,1,0,0,0,0|2,0,0]=3 1671 B9R0.2 NC(=O)CCCSCCF 62a_100102525003_100011217306 [0,1,0,0,0,0|2,0,0]=3 1672 B9R0.2 NC(=O)CCCSCCO 62a_100000211926_100102525003 [0,1,0,0,0,0|2,0,0]=3 1673 B9R0.2 NC(=O)CCCSCCO 62a_100102525003_100000211926 [0,1,0,0,0,0|2,0,0]=3 1674 B9R0.2 NC(=O)CCNCCCF 2230a_100015189416_100000744528 [0,1,0,0,0,0|2,0,0]=3 1675 B9R0.2 NC(=O)CCNCCCF 34a_100015189416_100000731001 [0,1,0,0,0,0|2,0,0]=3 1676 B9R0.2 NC(=O)CCOCCCBr 34a_100011217188_100000731001 [0,1,0,0,0,0|2,0,0]=3 1677 B9R0.2 NC(=O)CCOCCCCl 34a_100000230001_100000731001 [0,1,0,0,0,0|2,0,0]=3 1678 B9R0.2 NC(=O)CCOCCCF 34a_100000757172_100011934791 [0,1,0,0,0,0|2,0,0]=3 1679 B9R0.2 NC(=O)CCOCCCF 34a_100000759539_100000731001 [0,1,0,0,0,0|2,0,0]=3 1680 B9R0.2 NC(=O)CCOCCCF 7a_100000757172_100011934791 [0,1,0,0,0,0|2,0,0]=3 1681 B9R0.2 NC(=O)CCOCCCO 34a_100000757172_100000230001 [0,1,0,0,0,0|2,0,0]=3 1682 B9R0.2 NC(=O)CCOCCCO 7a_100000757172_100011215043 [0,1,0,0,0,0|2,0,0]=3 1683 B9R0.2 NC(=O)CCSCCCF 62a_100000744528_100011934791 [0,1,0,0,0,0|2,0,0]=3 1684 B9R0.2 NC(=O)CCSCCCF 62a_100011934791_100000744528 [0,1,0,0,0,0|2,0,0]=3 1685 B9R0.2 NC(=O)CCSCCCO 62a_100000744528_100011215043 [0,1,0,0,0,0|2,0,0]=3 1686 B9R0.2 NC(=O)CCSCCCO 62a_100011215043_100000744528 [0,1,0,0,0,0|2,0,0]=3 1687 B9R0.2 NC(=O)CNCCCC=O 2230a_100000711301_200011292268 [0,1,0,0,0,0|2,0,1]=4 1688 B9R0.2 NC(=O)CNCCCCF 2230a_100000711301_100000729493 [0,1,0,0,0,0|2,0,0]=3 1689 B9R0.2 NC(=O)CNCCCCO 2230a_100000711301_100000210776 [0,1,0,0,0,0|2,0,0]=3 1690 B9R0.2 NC(=O)CNCCCCO 2230a_100000750430_100000747473 [0,1,0,0,0,0|2,0,0]=3 1691 B9R0.2 NC(=O)CNCCCCO 34a_100000750430_100000187820 [0,1,0,0,0,0|2,0,0]=3 1692 B9R0.2 NC(=O)COCCCCBr 34a_100011216708_100000187820 [0,1,0,0,0,0|2,0,0]=3 1693 B9R0.2 NC(=O)COCCCCCl 34a_100000210776_100000187820 [0,1,0,0,0,0|2,0,0]=3 1694 B9R0.2 NC(=O)COCCCCCl 7a_100000210776_100000187820 [0,1,0,0,0,0|2,0,0]=3 1695 B9R0.2 NC(=O)COCCCCF 34a_100011995726_100000187820 [0,1,0,0,0,0|2,0,0]=3 1696 B9R0.2 NC(=O)COCCCCF 7a_100011995726_100000187820 [0,1,0,0,0,0|2,0,0]=3 1697 B9R0.2 NC(=O)COCCCCI 34a_200012148704_100000187820 [0,1,0,0,0,0|2,0,0]=3 1698 B9R0.2 NC(=O)COCCSCF 62a_100000076697_100015361967 [0,1,0,0,0,0|3,0,0]=4 1699 B9R0.2 NC(=O)COCCSCF 62a_100015361967_100000076697 [0,1,0,0,0,0|3,0,0]=4 1700 B9R0.2 NC(=O)CSCCCC=O 62a_100000747473_200011292268 [0,1,0,0,0,0|2,0,1]=4 1701 B9R0.2 NC(=O)CSCCCC=O 62a_200011292268_100000747473 [0,1,0,0,0,0|2,0,1]=4 1702 B9R0.2 NC(=O)CSCCCCF 62a_100000729493_100000747473 [0,1,0,0,0,0|2,0,0]=3 1703 B9R0.2 NC(=O)CSCCCCF 62a_100000747473_100000729493 [0,1,0,0,0,0|2,0,0]=3 1704 B9R0.2 NC(=O)CSCCCCO 62a_100000210776_100000747473 [0,1,0,0,0,0|2,0,0]=3 1705 B9R0.2 NC(=O)CSCCCCO 62a_100000747473_100000210776 [0,1,0,0,0,0|2,0,0]=3 1706 B9R0.2 NC(=O)NCCNCCF 34a_100020590234_100011217306 [0,1,0,0,0,0|3,0,0]=4 1707 B9R0.2 NC(=O)NCCNCCO 2230a_100016997473_200000034859 [0,1,0,0,0,0|3,0,0]=4 1708 B9R0.2 NC(=O)NCCNCCO 34a_100020590234_100000211926 [0,1,0,0,0,0|3,0,0]=4 1709 B9R0.2 NC(=O)NCCOCCF 34a_100000181757_100011217306 [0,1,0,0,0,0|3,0,0]=4 1710 B9R0.2 NC(=O)NCCOCCO 34a_100000181757_100000211926 [0,1,0,0,0,0|3,0,0]=4 1711 B9R0.2 NC(=O)NCCSCCF 62a_100011217306_200000034859 [0,1,0,0,0,0|3,0,0]=4 1712 B9R0.2 NC(=O)NCCSCCF 62a_200000034859_100011217306 [0,1,0,0,0,0|3,0,0]=4 1713 B9R0.2 NC(=O)NCCSCCO 62a_100000211926_200000034859 [0,1,0,0,0,0|3,0,0]=4 1714 B9R0.2 NC(=O)NCCSCCO 62a_200000034859_100000211926 [0,1,0,0,0,0|3,0,0]=4 1715 B9R0.2 NC(=O)OCCNCCF 34a_100000724931_200011214921 [0,1,0,0,0,0|3,0,0]=4 1716 B9R0.2 NC(=O)OCCNCCO 34a_100016990907_200011214921 [0,1,0,0,0,0|3,0,0]=4 1717 B9R0.2 NC(=O)OCCOCCBr 34a_100000211926_200011214921 [0,1,0,0,0,0|3,0,0]=4 1718 B9R0.2 NC(=O)OCCOCCF 7a_100000766696_100011217306 [0,1,0,0,0,0|3,0,0]=4 1719 B9R0.2 NC(=O)OCCOCCO 7a_100000766696_100000211926 [0,1,0,0,0,0|3,0,0]=4 1720 B9R0.2 NC(=O)OCCSCCF 62a_100011217306_200011214921 [0,1,0,0,0,0|3,0,0]=4 1721 B9R0.2 NC(=O)OCCSCCF 62a_200011214921_100011217306 [0,1,0,0,0,0|3,0,0]=4 1722 B9R0.2 NC(=O)OCCSCCO 62a_100000211926_200011214921 [0,1,0,0,0,0|3,0,0]=4 1723 B9R0.2 NC(=O)OCCSCCO 62a_200011214921_100000211926 [0,1,0,0,0,0|3,0,0]=4 1724 B9R0.2 NCCCCOCC(=O)N 34a_100000750430_100000187820 [0,1,0,0,0,0|1,0,0]=2 1725 B9R0.2 NCCCCOCC(=O)[O-] 34a_100000750430_100020667443 [0,1,0,0,0,0|0,0,1]=2 1726 B9R0.2 NCCCCOCC(F)F 34a_100000750430_100011934356 [0,1,0,0,0,0|2,0,1]=4 1727 B9R0.2 NCCCCOC[N+](=O)[O-] 34a_100000750430_100000761209 [0,1,0,0,0,0|1,0,1]=3 1728 B9R0.2 NCCCOCCC(=O)N 34a_100000182051_100000731001 [0,1,0,0,0,0|1,0,0]=2 1729 B9R0.2 NCCOCCC=C(F)F 34a_100000210304_200009816681 [0,1,0,0,0,0|2,0,1]=4 1730 B9R0.2 NCCOCCCC(=O)N 34a_100000210304_100102525003 [0,1,0,0,0,0|1,0,0]=2 1731 B9R0.2 NCCOCCOC(=O)N 34a_100000210304_200011214921 [0,1,0,0,0,0|2,0,0]=3 1732 B9R0.2 NOCCOCCC(=O)N 34a_100000700252_100000731001 [0,1,0,0,0,0|2,0,0]=3 1733 B9R0.2 O=C(O)CNCC#CCO 269956a_100016091260_200000047223 [0,1,0,0,0,0|1,0,2]=4 1734 B9R0.2 O=C(O)CNCCCCF 269956a_100016091260_100000729493 [0,1,0,0,0,0|1,0,0]=2 1735 B9R0.2 O=C(O)CNCCCCO 269956a_100016091260_100000210776 [0,1,0,0,0,0|1,0,0]=2 1736 B9R0.2 O=C(O)COCCNCF 269956a_100000700818_100015361967 [0,1,0,0,0,0|2,0,0]=3 1737 B9R0.2 O=C(O)CONCCCF 269956a_100000106656_100011934791 [0,1,0,0,0,0|2,0,0]=3 1738 B9R0.2 O=C(O)CONCCCO 269956a_100000106656_100011215043 [0,1,0,0,0,0|2,0,0]=3 1739 B9R0.2 O=C([O-])CNCCCCO 34a_100000750430_100020667443 [0,1,0,0,0,0|1,0,1]=3 1740 B9R0.2 O=C([O-])COCCCCBr 34a_100011216708_100020667443 [0,1,0,0,0,0|1,0,1]=3 1741 B9R0.2 O=C([O-])COCCCCCl 34a_100000210776_100020667443 [0,1,0,0,0,0|1,0,1]=3 1742 B9R0.2 O=C([O-])COCCCCF 34a_100011995726_100020667443 [0,1,0,0,0,0|1,0,1]=3 1743 B9R0.2 O=C([O-])COCCCCI 34a_200012148704_100020667443 [0,1,0,0,0,0|1,0,1]=3 1744 B9R0.2 O=C([O-])CSCCCCF 62a_100000729493_100020667443 [0,1,0,0,0,0|1,0,1]=3 1745 B9R0.2 O=C([O-])CSCCCCF 62a_100020667443_100000729493 [0,1,0,0,0,0|1,0,1]=3 1746 B9R0.2 O=C([O-])CSCCCCO 62a_100000210776_100020667443 [0,1,0,0,0,0|1,0,1]=3 1747 B9R0.2 O=C([O-])CSCCCCO 62a_100020667443_100000210776 [0,1,0,0,0,0|1,0,1]=3 1748 B9R0.2 O=CCCCNCC(=O)O 269956a_100016091260_200011292268 [0,1,0,0,0,0|1,0,1]=3 1749 B9R0.2 O=CCCCSCC(=O)[O-] 62a_100020667443_200011292268 [0,1,0,0,0,0|1,0,2]=4 1750 B9R0.2 O=CCCCSCC(=O)[O-] 62a_200011292268_100020667443 [0,1,0,0,0,0|1,0,2]=4 1751 B9R0.2 O=[N+]([O-])CCCCOCF 34a_200015379883_100015361967 [0,1,0,0,0,0|2,0,1]=4 1752 B9R0.2 O=[N+]([O-])CCCCOCF 7a_200015379883_100015361967 [0,1,0,0,0,0|2,0,1]=4 1753 B9R0.2 O=[N+]([O-])CCCOCCF 34a_200000037920_100011217306 [0,1,0,0,0,0|2,0,1]=4 1754 B9R0.2 O=[N+]([O-])CCCOCCO 34a_200000037920_100000211926 [0,1,0,0,0,0|2,0,1]=4 1755 B9R0.2 O=[N+]([O-])CNCCCCO 34a_100000750430_100000761209 [0,1,0,0,0,0|2,0,1]=4 1756 B9R0.2 O=[N+]([O-])COCCCCBr 34a_100011216708_100000761209 [0,1,0,0,0,0|2,0,1]=4 1757 B9R0.2 O=[N+]([O-])COCCCCCl 34a_100000210776_100000761209 [0,1,0,0,0,0|2,0,1]=4 1758 B9R0.2 O=[N+]([O-])COCCCCF 34a_100011995726_100000761209 [0,1,0,0,0,0|2,0,1]=4 1759 B9R0.2 O=[N+]([O-])COCCCCI 34a_200012148704_100000761209 [0,1,0,0,0,0|2,0,1]=4 1760 B9R0.2 O=[N+]([O-])CSCCCCF 62a_100000729493_100000761209 [0,1,0,0,0,0|2,0,1]=4 1761 B9R0.2 O=[N+]([O-])CSCCCCO 62a_100000210776_100000761209 [0,1,0,0,0,0|2,0,1]=4 1762 B9R0.2 OB(O)CCCCSCF 62a_100015361967_200009817182 [0,1,0,0,0,0|2,0,1]=4 1763 B9R0.2 OB(O)CCCCSCF 62a_200009817182_100015361967 [0,1,0,0,0,0|2,0,1]=4 1764 B9R0.2 [13CH3]C(=O)CCCCCCO 1458a_100011996774_200025704644 [0,1,0,0,0,0|2,0,0]=3 1765 B9R0.2 [13CH3]C(=O)CCCCN=[N+]=[N-] 1458a_100000070148_200025704644 [0,1,0,0,0,0|2,0,1]=4 1766 B9R0.2 [13CH3]OCCCCCC(=O)N 34a_100000123541_200025704644 [0,1,0,0,0,0|2,0,0]=3 1767 B9R0.2 [13CH3]OCCCCCC(=O)N 7a_100000123541_200025704644 [0,1,0,0,0,0|2,0,0]=3 1768 B9R0.2 [13CH3]OCCCCCC(=O)[O-] 7a_100102619762_200025704644 [0,1,0,0,0,0|1,0,1]=3 1769 B9R0.2 [13CH3]SCCCCCB(O)O 62a_200009817188_200025704644 [0,1,0,0,0,0|2,0,1]=4 1770 B9R0.2 [13CH3]SCCCCCB(O)O 62a_200025704644_200009817188 [0,1,0,0,0,0|2,0,1]=4 1771 B9R0.2 [13CH3]SCCCCCC(=O)N 62a_100009817443_200025704644 [0,1,0,0,0,0|2,0,0]=3 1772 B9R0.2 [13CH3]SCCCCCC(=O)N 62a_200025704644_100009817443 [0,1,0,0,0,0|2,0,0]=3 1773 B9R0.4 C#CCCN(C)CC(=O)O 269956a_100000746989_100000688953 [0,1,0,0,0,0|2,0,1]=4 1774 B9R0.4 C=CCCN(C)CC(=O)O 269956a_100000746989_100000754431 [0,1,0,0,0,0|2,0,1]=4 1775 B9R0.4 CCCCC(=O)CC(=O)N 1458a_100000210183_100000187820 [0,1,0,0,0,0|2,0,1]=4 1776 B9R0.4 CCCCC(=O)CC(=O)N 1458a_100134613110_100000210211 [0,1,0,0,0,0|2,0,1]=4 1777 B9R0.4 CCCCC(=O)CC(=O)[O-] 1458a_100000210183_100020667443 [0,1,0,0,0,0|1,0,2]=4 1778 B9R0.4 CCCCC(C)NC(=O)C 11a_100000126638_100015343762 [0,1,0,0,0,0|3,0,0]=4 1779 B9R0.4 CCCCC(C)NC(=O)C 1626a_100000126638_100015343762 [0,1,0,0,0,0|3,0,0]=4 1780 B9R0.4 CCCCC(C)NC(=O)C 240690a_100000126638_100015343762 [0,1,0,0,0,0|3,0,0]=4 1781 B9R0.4 CCCCC(C)NC(=O)C 527a_100000126638_100103153847 [0,1,0,0,0,0|3,0,0]=4 1782 B9R0.4 CCCCN(C)CC(=O)N 2230a_100000207549_100000747473 [0,1,0,0,0,0|3,0,0]=4 1783 B9R0.4 CCCCN(C)CC(=O)N 2230a_100000739694_100000210211 [0,1,0,0,0,0|3,0,0]=4 1784 B9R0.4 CCCCN(C)CC(=O)N 269982a_100000207549_100000187820 [0,1,0,0,0,0|3,0,0]=4 1785 B9R0.4 CCCCN(C)CC(=O)O 269956a_100000746989_100000210211 [0,1,0,0,0,0|2,0,0]=3 1786 B9R0.4 CCCCN(C)CC(=O)[O-] 269982a_100000207549_100020667443 [0,1,0,0,0,0|2,0,1]=4 1787 B9R0.4 CCNCC(O)CC(=O)O 269956a_100011218706_100000210202 [0,1,0,0,0,0|2,0,0]=3 1788 B9R0.4 CCOCN(C)CC(=O)O 269956a_100000746989_100000739092 [0,1,0,0,0,0|3,0,0]=4 1789 B9R0.4 CN(CCC#N)CC(=O)O 269956a_100000746989_100011215226 [0,1,0,0,0,0|1,0,2]=4 1790 B9R0.4 CN(CCC#N)CC(=O)O 269956a_100011218032_200000210301 [0,1,0,0,0,0|1,0,2]=4 1791 B9R0.4 CN(CCCF)CC(=O)N 2230a_100000739694_100011934791 [0,1,0,0,0,0|3,0,0]=4 1792 B9R0.4 CN(CCCF)CC(=O)O 269956a_100000746989_100011934791 [0,1,0,0,0,0|2,0,0]=3 1793 B9R0.4 CN(CCCO)CC(=O)N 2230a_100000213112_100000747473 [0,1,0,0,0,0|3,0,0]=4 1794 B9R0.4 CN(CCCO)CC(=O)N 2230a_100000739694_100000230001 [0,1,0,0,0,0|3,0,0]=4 1795 B9R0.4 CN(CCCO)CC(=O)N 269982a_100000213112_100000187820 [0,1,0,0,0,0|3,0,0]=4 1796 B9R0.4 CN(CCCO)CC(=O)O 269956a_100000746989_100011215043 [0,1,0,0,0,0|2,0,0]=3 1797 B9R0.4 CN(CCCO)CC(=O)[O-] 269982a_100000213112_100020667443 [0,1,0,0,0,0|2,0,1]=4 1798 B9R0.4 COCCN(C)CC(=O)O 269956a_100000746989_100000233755 [0,1,0,0,0,0|3,0,0]=4 1799 B9R0.4 CSCCN(C)CC(=O)O 269956a_100000746989_100000212216 [0,1,0,0,0,0|3,0,0]=4 1800 B9R0.4 NC(=O)CC(=O)CCCF 1458a_100134613110_100011934791 [0,1,0,0,0,0|2,0,1]=4 1801 B9R0.4 NC(=O)CC(=O)CCCO 1458a_100134613110_100011215043 [0,1,0,0,0,0|2,0,1]=4 1802 B9R0.4 O=C(O)CC(O)CNCF 269956a_100011218706_100015361967 [0,1,0,0,0,0|2,0,0]=3 1803 B9R0.4 [13CH3]N(CCC#N)CC(=O)O 269956a_100011218032_200025704644 [0,1,0,0,0,0|1,0,2]=4 1804 B9R0.38 CC(C)(O)CCOCCN 34a_100000210304_100000702414 [0,1,0,0,0,0|2,0,1]=4 1805 B9R0.38 CC(C)(O)COCCCN 34a_100000182051_100000764493 [0,1,0,0,0,0|2,0,1]=4 1806 B9R0.38 CS(=O)(=O)CCOCCN 34a_100000210304_100000731031 [0,1,0,0,0,0|2,0,1]=4 1807 B9R0.38 NCCCOCS(=O)(=O)[O-] 34a_100000182051_100009817235 [0,1,0,0,0,0|2,0,1]=4 1808 B9R0.38 NCCOCCS(=O)(=O)[O-] 34a_100000210304_100000762736 [0,1,0,0,0,0|2,0,1]=4 1809 B9R0.46 C#CC(=O)CCCCC#N 1458a_100000211873_100000211819 [0,1,0,0,0,0|1,0,2]=4 1810 B9R0.46 C#CC(=O)CCCCC=C 1458a_100000211873_100011215482 [0,1,0,0,0,0|2,0,1]=4 1811 B9R0.46 C#CC(=O)CCCCCC 1458a_100000211873_100000210757 [0,1,0,0,0,0|2,0,0]=3 1812 B9R0.46 C#CC(=O)CCCCCF 1458a_100000211873_100000729378 [0,1,0,0,0,0|2,0,0]=3 1813 B9R0.46 C#CC(=O)CCCCCO 1458a_100000211873_100000746330 [0,1,0,0,0,0|2,0,0]=3 1814 B9R0.46 C#CC(=O)CCCCOC 1458a_100000211873_100000755781 [0,1,0,0,0,0|3,0,0]=4 1815 B9R0.46 C#CC(=O)CCCOCC 1458a_100000211873_100012232248 [0,1,0,0,0,0|3,0,0]=4 1816 B9R0.46 C#CC(=O)CCOCCC 1458a_100000211873_100011215938 [0,1,0,0,0,0|3,0,0]=4 1817 B9R0.46 C#CC(=O)CCOCCO 1458a_100000211873_100011215305 [0,1,0,0,0,0|3,0,0]=4 1818 B9R0.46 C#CC(=O)COCCCC 1458a_100000211873_100011995733 [0,1,0,0,0,0|3,0,0]=4 1819 B9R0.46 C#CCCCCC(=O)C#C 1458a_100000211873_100010269958 [0,1,0,0,0,0|2,0,1]=4 1820 B9R0.46 C#CCCCCC(=O)C=C 1458a_100000185746_100010269958 [0,1,0,0,0,0|2,0,1]=4 1821 B9R0.46 C#CCCCCC(=O)CC 1458a_100000210414_100010269958 [0,1,0,0,0,0|2,0,1]=4 1822 B9R0.46 C#CCCCCC(=O)CC 1458a_100000696528_100000210202 [0,1,0,0,0,0|2,0,1]=4 1823 B9R0.46 C#CCCCCC(=O)CF 1458a_100000696528_100015361967 [0,1,0,0,0,0|2,0,1]=4 1824 B9R0.46 C#CCCCCC(=O)CO 1458a_100000210174_100010269958 [0,1,0,0,0,0|1,0,1]=3 1825 B9R0.46 C#CCCCCC(=O)NC 11a_106832991635_100000696528 [0,1,0,0,0,0|2,0,1]=4 1826 B9R0.46 C#CCCCCC(=O)NC 1626a_100102657272_100000696528 [0,1,0,0,0,0|2,0,1]=4 1827 B9R0.46 C#CCCCCC(=O)NC 240690a_100102657272_100000696528 [0,1,0,0,0,0|2,0,1]=4 1828 B9R0.46 C#CCCCCC(=O)NC 527a_100102657272_100000696528 [0,1,0,0,0,0|2,0,1]=4 1829 B9R0.46 C#CCCCNC(=O)CO 240690a_100000718082_100000210174 [0,1,0,0,0,0|2,0,1]=4 1830 B9R0.46 C#CCCCNC(=O)CO 527a_100000718082_100000210174 [0,1,0,0,0,0|2,0,1]=4 1831 B9R0.46 C#CCCNCC(=O)OC 34a_100000755551_100000747449 [0,1,0,0,0,0|2,0,1]=4 1832 B9R0.46 C#CCCOCC(=O)OC 34a_100011215631_100000747449 [0,1,0,0,0,0|2,0,1]=4 1833 B9R0.46 C#CCCSCC(=O)OC 62a_100000688953_100000747449 [0,1,0,0,0,0|2,0,1]=4 1834 B9R0.46 C#CCCSCC(=O)OC 62a_100000747449_100000688953 [0,1,0,0,0,0|2,0,1]=4 1835 B9R0.46 C#CCNCCC(=O)OC 34a_100000212058_100000742370 [0,1,0,0,0,0|2,0,1]=4 1836 B9R0.46 C#CCOCCC(=O)CO 1458a_100000210174_100010402529 [0,1,0,0,0,0|2,0,1]=4 1837 B9R0.46 C#CCOCCC(=O)OC 34a_100000210247_100000742370 [0,1,0,0,0,0|2,0,1]=4 1838 B9R0.46 C#CCSCCC(=O)OC 62a_100000038162_100000204255 [0,1,0,0,0,0|2,0,1]=4 1839 B9R0.46 C=C(C#N)COCCCN 34a_100000182051_100000694840 [0,1,0,0,0,0|3,0,0]=4 1840 B9R0.46 C=CC(=O)CCCCC#N 1458a_100000185746_100000211819 [0,1,0,0,0,0|1,0,2]=4 1841 B9R0.46 C=CC(=O)CCCCCC 1458a_100000185746_100000210757 [0,1,0,0,0,0|2,0,0]=3 1842 B9R0.46 C=CC(=O)CCCCCF 1458a_100000185746_100000729378 [0,1,0,0,0,0|2,0,0]=3 1843 B9R0.46 C=CC(=O)CCCCCO 1458a_100000185746_100000746330 [0,1,0,0,0,0|2,0,0]=3 1844 B9R0.46 C=CC(=O)CCCCOC 1458a_100000185746_100000755781 [0,1,0,0,0,0|3,0,0]=4 1845 B9R0.46 C=CC(=O)CCCOCC 1458a_100000185746_100012232248 [0,1,0,0,0,0|3,0,0]=4 1846 B9R0.46 C=CC(=O)CCOCCC 1458a_100000185746_100011215938 [0,1,0,0,0,0|3,0,0]=4 1847 B9R0.46 C=CC(=O)CCOCCO 1458a_100000185746_100011215305 [0,1,0,0,0,0|3,0,0]=4 1848 B9R0.46 C=CC(=O)COCCCC 1458a_100000185746_100011995733 [0,1,0,0,0,0|3,0,0]=4 1849 B9R0.46 C=CC(=O)NCCCCC 1626a_100000209983_100000185746 [0,1,0,0,0,0|3,0,0]=4 1850 B9R0.46 C=CC(=O)NCCCCC 240690a_100000209983_200121576911 [0,1,0,0,0,0|3,0,0]=4 1851 B9R0.46 C=CC(=O)NCCCCO 240690a_100000750430_200121576911 [0,1,0,0,0,0|3,0,0]=4 1852 B9R0.46 C=CC(O)COCCCN 34a_100000182051_100000730141 [0,1,0,0,0,0|2,0,1]=4 1853 B9R0.46 C=CCCCCC(=O)C=C 1458a_100000185746_100011215482 [0,1,0,0,0,0|2,0,1]=4 1854 B9R0.46 C=CCCCCC(=O)CC 1458a_100000210414_100011215482 [0,1,0,0,0,0|2,0,1]=4 1855 B9R0.46 C=CCCCCC(=O)CC 1458a_100011215552_100000210202 [0,1,0,0,0,0|2,0,1]=4 1856 B9R0.46 C=CCCCCC(=O)CF 1458a_100011215552_100015361967 [0,1,0,0,0,0|2,0,1]=4 1857 B9R0.46 C=CCCCCC(=O)CO 1458a_100000210174_100011215482 [0,1,0,0,0,0|1,0,1]=3 1858 B9R0.46 C=CCCCCC(=O)NC 11a_106832991635_100011215552 [0,1,0,0,0,0|2,0,1]=4 1859 B9R0.46 C=CCCCCC(=O)NC 1626a_100102657272_100011215552 [0,1,0,0,0,0|2,0,1]=4 1860 B9R0.46 C=CCCCCC(=O)NC 240690a_100102657272_100011215552 [0,1,0,0,0,0|2,0,1]=4 1861 B9R0.46 C=CCCCCC(=O)NC 527a_100102657272_100011215552 [0,1,0,0,0,0|2,0,1]=4 1862 B9R0.46 C=CCCCNC(=O)CO 240690a_100000700776_100000210174 [0,1,0,0,0,0|2,0,1]=4 1863 B9R0.46 C=CCCCNC(=O)CO 527a_100000700776_100000210174 [0,1,0,0,0,0|2,0,1]=4 1864 B9R0.46 C=CCCNCC(=O)OC 2230a_100015191253_100000747449 [0,1,0,0,0,0|2,0,1]=4 1865 B9R0.46 C=CCCOCC(=O)OC 34a_100011205117_100000747449 [0,1,0,0,0,0|2,0,1]=4 1866 B9R0.46 C=CCCSCC(=O)OC 62a_100000747449_100000754431 [0,1,0,0,0,0|2,0,1]=4 1867 B9R0.46 C=CCCSCC(=O)OC 62a_100000754431_100000747449 [0,1,0,0,0,0|2,0,1]=4 1868 B9R0.46 C=CCNCCC(=O)OC 2230a_100020586998_100000204255 [0,1,0,0,0,0|2,0,1]=4 1869 B9R0.46 C=CCOCCC(=O)OC 34a_200000210373_100000742370 [0,1,0,0,0,0|2,0,1]=4 1870 B9R0.46 C=CCSCCC(=O)OC 62a_100000204255_100000210623 [0,1,0,0,0,0|2,0,1]=4 1871 B9R0.46 C=CCSCCC(=O)OC 62a_100000210623_100000204255 [0,1,0,0,0,0|2,0,1]=4 1872 B9R0.46 CC(CO)OCCCCN 34a_100000750430_100012180447 [0,1,0,0,0,0|2,0,1]=4 1873 B9R0.46 CC/C=C\CCC(=O)CO 1458a_100000210174_100015370543 [0,1,0,0,0,0|1,0,2]=4 1874 B9R0.46 CCC(=O)CCCCC#N 1458a_100000210414_100000211819 [0,1,0,0,0,0|1,0,2]=4 1875 B9R0.46 CCC(=O)CCCCCF 1458a_100000210414_100000729378 [0,1,0,0,0,0|2,0,0]=3 1876 B9R0.46 CCC(=O)CCCCCO 1458a_100000210414_100000746330 [0,1,0,0,0,0|2,0,0]=3 1877 B9R0.46 CCC(=O)CCCCCO 1458a_100102619762_100000210202 [0,1,0,0,0,0|2,0,0]=3 1878 B9R0.46 CCC(=O)CCCCOC 1458a_100000210414_100000755781 [0,1,0,0,0,0|3,0,0]=4 1879 B9R0.46 CCC(=O)CCOCCO 1458a_100000210414_100011215305 [0,1,0,0,0,0|3,0,0]=4 1880 B9R0.46 CCC(=O)CCOCCO 1458a_100011229844_100000210202 [0,1,0,0,0,0|3,0,0]=4 1881 B9R0.46 CCC(=O)COCCCF 34a_100000725409_100011934791 [0,1,0,0,0,0|3,0,0]=4 1882 B9R0.46 CCC(=O)COCCCO 34a_100000725409_100000230001 [0,1,0,0,0,0|3,0,0]=4 1883 B9R0.46 CCC(=O)CSCCCF 62a_100000747405_100011934791 [0,1,0,0,0,0|3,0,0]=4 1884 B9R0.46 CCC(=O)CSCCCF 62a_100011934791_100000747405 [0,1,0,0,0,0|3,0,0]=4 1885 B9R0.46 CCC(=O)CSCCCO 62a_100000747405_100011215043 [0,1,0,0,0,0|3,0,0]=4 1886 B9R0.46 CCC(=O)CSCCCO 62a_100011215043_100000747405 [0,1,0,0,0,0|3,0,0]=4 1887 B9R0.46 CCC(=O)NCCCCO 240690a_100000750430_100000210414 [0,1,0,0,0,0|3,0,0]=4 1888 B9R0.46 CCC(=O)NCCCCO 527a_100000750430_100000210414 [0,1,0,0,0,0|3,0,0]=4 1889 B9R0.46 CCC(O)COCCCN 34a_100000182051_100011218378 [0,1,0,0,0,0|2,0,1]=4 1890 B9R0.46 CCCCCCC(=O)CC 1458a_100000210414_100000210757 [0,1,0,0,0,0|2,0,0]=3 1891 B9R0.46 CCCCCCC(=O)CC 1458a_100102632555_100000210202 [0,1,0,0,0,0|2,0,0]=3 1892 B9R0.46 CCCCCCC(=O)CF 1458a_100102632555_100015361967 [0,1,0,0,0,0|2,0,0]=3 1893 B9R0.46 CCCCCCC(=O)CO 1458a_100000210174_100000210757 [0,1,0,0,0,0|1,0,0]=2 1894 B9R0.46 CCCCCCC(=O)NC 11a_106832991635_100102632555 [0,1,0,0,0,0|2,0,0]=3 1895 B9R0.46 CCCCCCC(=O)NC 1626a_100102657272_100102632555 [0,1,0,0,0,0|2,0,0]=3 1896 B9R0.46 CCCCCCC(=O)NC 240690a_100102657272_100102632555 [0,1,0,0,0,0|2,0,0]=3 1897 B9R0.46 CCCCCCC(=O)NC 527a_100102657272_100102632555 [0,1,0,0,0,0|2,0,0]=3 1898 B9R0.46 CCCCCCC(C)OC 34a_100000210265_200000210301 [0,1,0,0,0,0|2,0,1]=4 1899 B9R0.46 CCCCCCC(C)OC 34a_100138415774_100011215978 [0,1,0,0,0,0|2,0,1]=4 1900 B9R0.46 CCCCCCC(C)OC 7a_100000210265_200000210301 [0,1,0,0,0,0|2,0,1]=4 1901 B9R0.46 CCCCCCC(C)O[13CH3] 34a_100000210265_200025704644 [0,1,0,0,0,0|2,0,1]=4 1902 B9R0.46 CCCCCCC(C)O[13CH3] 7a_100000210265_200025704644 [0,1,0,0,0,0|2,0,1]=4 1903 B9R0.46 CCCCCNC(=O)CC 11a_100000209983_100000210414 [0,1,0,0,0,0|3,0,0]=4 1904 B9R0.46 CCCCCNC(=O)CC 1626a_100000209983_100000210414 [0,1,0,0,0,0|3,0,0]=4 1905 B9R0.46 CCCCCNC(=O)CC 240690a_100000209983_100000210414 [0,1,0,0,0,0|3,0,0]=4 1906 B9R0.46 CCCCCNC(=O)CC 527a_100000209983_100000210414 [0,1,0,0,0,0|3,0,0]=4 1907 B9R0.46 CCCCCNC(=O)CO 240690a_100000209983_100000210174 [0,1,0,0,0,0|2,0,0]=3 1908 B9R0.46 CCCCCNC(=O)CO 527a_100000209983_100000210174 [0,1,0,0,0,0|2,0,0]=3 1909 B9R0.46 CCCCCNC(=O)NC 2708a_100000209983_106832991635 [0,1,0,0,0,0|3,0,0]=4 1910 B9R0.46 CCCCCNC(=O)NC 2708a_100102657272_100000209983 [0,1,0,0,0,0|3,0,0]=4 1911 B9R0.46 CCCCCNC(=O)NC 273464a_100000209983_100102657272 [0,1,0,0,0,0|3,0,0]=4 1912 B9R0.46 CCCCCNC(=O)NC 273464a_100102657272_100000209983 [0,1,0,0,0,0|3,0,0]=4 1913 B9R0.46 CCCCCNC(=O)NC 512a_100000209983_100102657272 [0,1,0,0,0,0|3,0,0]=4 1914 B9R0.46 CCCCCNC(=O)NC 512a_106832991638_100000209983 [0,1,0,0,0,0|3,0,0]=4 1915 B9R0.46 CCCCNCC(=O)CC 7a_106832991798_100000747405 [0,1,0,0,0,0|3,0,0]=4 1916 B9R0.46 CCCCNCC(=O)NC 2230a_100000102301_100000183359 [0,1,0,0,0,0|3,0,0]=4 1917 B9R0.46 CCCCNCC(=O)NC 2230a_100000693194_100000210211 [0,1,0,0,0,0|3,0,0]=4 1918 B9R0.46 CCCCNCC(=O)NC 7a_106832991798_100000183359 [0,1,0,0,0,0|3,0,0]=4 1919 B9R0.46 CCCCNCC(=O)OC 2230a_100000102301_100000747449 [0,1,0,0,0,0|2,0,0]=3 1920 B9R0.46 CCCCNCC(=O)OC 7a_106832991798_100000747449 [0,1,0,0,0,0|2,0,0]=3 1921 B9R0.46 CCCCNNC(=O)CO 22a_100025702795_100000210174 [0,1,0,0,0,0|3,0,0]=4 1922 B9R0.46 CCCCOCC(=O)CC 1458a_100000210414_100011995733 [0,1,0,0,0,0|3,0,0]=4 1923 B9R0.46 CCCCOCC(=O)CC 1458a_100000757543_100000210202 [0,1,0,0,0,0|3,0,0]=4 1924 B9R0.46 CCCCOCC(=O)CC 34a_100000725409_100000210210 [0,1,0,0,0,0|3,0,0]=4 1925 B9R0.46 CCCCOCC(=O)CC 7a_100000210227_100000747405 [0,1,0,0,0,0|3,0,0]=4 1926 B9R0.46 CCCCOCC(=O)CF 1458a_100000757543_100015361967 [0,1,0,0,0,0|3,0,0]=4 1927 B9R0.46 CCCCOCC(=O)CO 1458a_100000210174_100011995733 [0,1,0,0,0,0|2,0,0]=3 1928 B9R0.46 CCCCOCC(=O)NC 11a_106832991635_100000757543 [0,1,0,0,0,0|3,0,0]=4 1929 B9R0.46 CCCCOCC(=O)NC 1626a_100102657272_100000757543 [0,1,0,0,0,0|3,0,0]=4 1930 B9R0.46 CCCCOCC(=O)NC 240690a_100102657272_100000757543 [0,1,0,0,0,0|3,0,0]=4 1931 B9R0.46 CCCCOCC(=O)NC 34a_100000210227_100000183359 [0,1,0,0,0,0|3,0,0]=4 1932 B9R0.46 CCCCOCC(=O)NC 34a_100000750040_100000210210 [0,1,0,0,0,0|3,0,0]=4 1933 B9R0.46 CCCCOCC(=O)NC 527a_100102657272_100000757543 [0,1,0,0,0,0|3,0,0]=4 1934 B9R0.46 CCCCOCC(=O)NC 7a_100000210227_100000183359 [0,1,0,0,0,0|3,0,0]=4 1935 B9R0.46 CCCCOCC(=O)OC 34a_100000210227_100000747449 [0,1,0,0,0,0|2,0,0]=3 1936 B9R0.46 CCCCOCC(=O)OC 7a_100000210227_100000747449 [0,1,0,0,0,0|2,0,0]=3 1937 B9R0.46 CCCCSCC(=O)CC 1458a_100000191162_100000210202 [0,1,0,0,0,0|3,0,0]=4 1938 B9R0.46 CCCCSCC(=O)CC 62a_100000210211_100000747405 [0,1,0,0,0,0|3,0,0]=4 1939 B9R0.46 CCCCSCC(=O)CC 62a_100000747405_100000210210 [0,1,0,0,0,0|3,0,0]=4 1940 B9R0.46 CCCCSCC(=O)CF 1458a_100000191162_100015361967 [0,1,0,0,0,0|3,0,0]=4 1941 B9R0.46 CCCCSCC(=O)NC 11a_106832991635_100000191162 [0,1,0,0,0,0|3,0,0]=4 1942 B9R0.46 CCCCSCC(=O)NC 1626a_100102657272_100000191162 [0,1,0,0,0,0|3,0,0]=4 1943 B9R0.46 CCCCSCC(=O)NC 240690a_100102657272_100000191162 [0,1,0,0,0,0|3,0,0]=4 1944 B9R0.46 CCCCSCC(=O)NC 527a_100102657272_100000191162 [0,1,0,0,0,0|3,0,0]=4 1945 B9R0.46 CCCCSCC(=O)NC 62a_100000183359_100000210210 [0,1,0,0,0,0|3,0,0]=4 1946 B9R0.46 CCCCSCC(=O)NC 62a_100000210211_100000183359 [0,1,0,0,0,0|3,0,0]=4 1947 B9R0.46 CCCCSCC(=O)OC 62a_100000210211_100000747449 [0,1,0,0,0,0|2,0,0]=3 1948 B9R0.46 CCCCSCC(=O)OC 62a_100000747449_100000210210 [0,1,0,0,0,0|2,0,0]=3 1949 B9R0.46 CCCNCCC(=O)NC 2230a_100000738227_100000210303 [0,1,0,0,0,0|3,0,0]=4 1950 B9R0.46 CCCNCCC(=O)NC 34a_100000738227_100000210303 [0,1,0,0,0,0|3,0,0]=4 1951 B9R0.46 CCCOCCC(=NO)N 34a_100000749954_100000210303 [0,1,0,0,0,0|3,0,0]=4 1952 B9R0.46 CCCOCCC(=O)CC 1458a_100000210414_100011215938 [0,1,0,0,0,0|3,0,0]=4 1953 B9R0.46 CCCOCCC(=O)CO 1458a_100000210174_100011215938 [0,1,0,0,0,0|2,0,0]=3 1954 B9R0.46 CCCOCCC(=O)NC 34a_100000210258_100012179268 [0,1,0,0,0,0|3,0,0]=4 1955 B9R0.46 CCCOCCC(=O)NC 34a_100000754576_100000210303 [0,1,0,0,0,0|3,0,0]=4 1956 B9R0.46 CCCOCCC(=O)OC 34a_100000210258_100000742370 [0,1,0,0,0,0|2,0,0]=3 1957 B9R0.46 CCCSCCC(=O)NC 62a_100000210303_100000737683 [0,1,0,0,0,0|3,0,0]=4 1958 B9R0.46 CCCSCCC(=O)NC 62a_100000737683_100000210303 [0,1,0,0,0,0|3,0,0]=4 1959 B9R0.46 CCCSCCC(=O)OC 62a_100000204255_100000210303 [0,1,0,0,0,0|2,0,0]=3 1960 B9R0.46 CCCSCCC(=O)OC 62a_100000210303_100000204255 [0,1,0,0,0,0|2,0,0]=3 1961 B9R0.46 CCCSCOC(=O)OC 62a_100000210303_100000139417 [0,1,0,0,0,0|3,0,0]=4 1962 B9R0.46 CCNCCCC(=O)NC 2230a_100000740002_100000210202 [0,1,0,0,0,0|3,0,0]=4 1963 B9R0.46 CCNCCCC(=O)NC 2230a_100015525214_100000741757 [0,1,0,0,0,0|3,0,0]=4 1964 B9R0.46 CCNCCCC(=O)NC 34a_100000740002_100000210202 [0,1,0,0,0,0|3,0,0]=4 1965 B9R0.46 CCNCCCC(=O)OC 2230a_100015525214_100011218270 [0,1,0,0,0,0|2,0,0]=3 1966 B9R0.46 CCOCCCC(=O)CC 1458a_100000210414_100012232248 [0,1,0,0,0,0|3,0,0]=4 1967 B9R0.46 CCOCCCC(=O)CO 1458a_100000210174_100012232248 [0,1,0,0,0,0|2,0,0]=3 1968 B9R0.46 CCOCCCC(=O)NC 34a_100121572206_100000741757 [0,1,0,0,0,0|3,0,0]=4 1969 B9R0.46 CCOCCCC(=O)NN 34a_100000211488_100000210202 [0,1,0,0,0,0|3,0,0]=4 1970 B9R0.46 CCOCCCC(=O)OC 34a_100121572206_100000742333 [0,1,0,0,0,0|2,0,0]=3 1971 B9R0.46 CCOCCNC(=O)CO 240690a_100011200944_100000210174 [0,1,0,0,0,0|3,0,0]=4 1972 B9R0.46 CCOCCNC(=O)CO 527a_100011200944_100000210174 [0,1,0,0,0,0|3,0,0]=4 1973 B9R0.46 CCOCCNC(=O)OC 34a_100000757965_100000210202 [0,1,0,0,0,0|3,0,0]=4 1974 B9R0.46 CCOCCOC(=O)OC 34a_100010262106_100000210202 [0,1,0,0,0,0|3,0,0]=4 1975 B9R0.46 CCOCSCC(=O)OC 62a_100000739092_100000747449 [0,1,0,0,0,0|3,0,0]=4 1976 B9R0.46 CCOCSCC(=O)OC 62a_100000747449_100000739092 [0,1,0,0,0,0|3,0,0]=4 1977 B9R0.46 CCSCCCC(=O)NC 62a_100000210202_100000741757 [0,1,0,0,0,0|3,0,0]=4 1978 B9R0.46 CCSCCCC(=O)NC 62a_100000741757_100000210202 [0,1,0,0,0,0|3,0,0]=4 1979 B9R0.46 CCSCCCC(=O)OC 62a_100000210202_100011218270 [0,1,0,0,0,0|2,0,0]=3 1980 B9R0.46 CCSCCCC(=O)OC 62a_100011218270_100000210202 [0,1,0,0,0,0|2,0,0]=3 1981 B9R0.46 CCSCCNC(=O)CO 240690a_100000106463_100000210174 [0,1,0,0,0,0|3,0,0]=4 1982 B9R0.46 CCSCCNC(=O)CO 527a_100000106463_100000210174 [0,1,0,0,0,0|3,0,0]=4 1983 B9R0.46 CNC(=O)CCCCCO 240690a_100102657272_100102619762 [0,1,0,0,0,0|2,0,0]=3 1984 B9R0.46 CNC(=O)CCCNCF 34a_100000740002_100015361967 [0,1,0,0,0,0|3,0,0]=4 1985 B9R0.46 CNC(=O)CCCSCF 62a_100000741757_100015361967 [0,1,0,0,0,0|3,0,0]=4 1986 B9R0.46 CNC(=O)CCCSCF 62a_100015361967_100000741757 [0,1,0,0,0,0|3,0,0]=4 1987 B9R0.46 CNC(=O)CCNCCF 2230a_100000738227_100011217306 [0,1,0,0,0,0|3,0,0]=4 1988 B9R0.46 CNC(=O)CCNCCF 34a_100000724931_100012179268 [0,1,0,0,0,0|3,0,0]=4 1989 B9R0.46 CNC(=O)CCNCCF 34a_100000738227_100011217306 [0,1,0,0,0,0|3,0,0]=4 1990 B9R0.46 CNC(=O)CCNCCO 2230a_100000738227_100000211926 [0,1,0,0,0,0|3,0,0]=4 1991 B9R0.46 CNC(=O)CCNCCO 2230a_100016997473_100000737683 [0,1,0,0,0,0|3,0,0]=4 1992 B9R0.46 CNC(=O)CCNCCO 34a_100000738227_100000211926 [0,1,0,0,0,0|3,0,0]=4 1993 B9R0.46 CNC(=O)CCNCCO 34a_100016990907_100012179268 [0,1,0,0,0,0|3,0,0]=4 1994 B9R0.46 CNC(=O)CCOCCBr 34a_100000211926_100012179268 [0,1,0,0,0,0|3,0,0]=4 1995 B9R0.46 CNC(=O)CCOCCF 34a_100000754576_100011217306 [0,1,0,0,0,0|3,0,0]=4 1996 B9R0.46 CNC(=O)CCOCCN 34a_100000210304_100012179268 [0,1,0,0,0,0|2,0,0]=3 1997 B9R0.46 CNC(=O)CCOCCO 1626a_100102657272_100011229844 [0,1,0,0,0,0|3,0,0]=4 1998 B9R0.46 CNC(=O)CCOCCO 240690a_100102657272_100011229844 [0,1,0,0,0,0|3,0,0]=4 1999 B9R0.46 CNC(=O)CCOCCO 34a_100000754576_100000211926 [0,1,0,0,0,0|3,0,0]=4 2000 B9R0.46 CNC(=O)CCSCCF 62a_100000737683_100011217306 [0,1,0,0,0,0|3,0,0]=4 2001 B9R0.46 CNC(=O)CCSCCF 62a_100011217306_100000737683 [0,1,0,0,0,0|3,0,0]=4 2002 B9R0.46 CNC(=O)CCSCCO 62a_100000211926_100000737683 [0,1,0,0,0,0|3,0,0]=4 2003 B9R0.46 CNC(=O)CCSCCO 62a_100000737683_100000211926 [0,1,0,0,0,0|3,0,0]=4 2004 B9R0.46 CNC(=O)CNCCCF 2230a_100000693194_100011934791 [0,1,0,0,0,0|3,0,0]=4 2005 B9R0.46 CNC(=O)CNCCCF 2230a_100015189416_100000183359 [0,1,0,0,0,0|3,0,0]=4 2006 B9R0.46 CNC(=O)CNCCCF 34a_100015189416_100000183359 [0,1,0,0,0,0|3,0,0]=4 2007 B9R0.46 CNC(=O)CNCCCO 2230a_100000693194_100000230001 [0,1,0,0,0,0|3,0,0]=4 2008 B9R0.46 CNC(=O)COCCCBr 34a_100011217188_100000183359 [0,1,0,0,0,0|3,0,0]=4 2009 B9R0.46 CNC(=O)COCCCCl 34a_100000230001_100000183359 [0,1,0,0,0,0|3,0,0]=4 2010 B9R0.46 CNC(=O)COCCCF 34a_100000750040_100011934791 [0,1,0,0,0,0|3,0,0]=4 2011 B9R0.46 CNC(=O)COCCCF 34a_100000759539_100000183359 [0,1,0,0,0,0|3,0,0]=4 2012 B9R0.46 CNC(=O)COCCCN 34a_100000182051_100000183359 [0,1,0,0,0,0|2,0,0]=3 2013 B9R0.46 CNC(=O)COCCCO 34a_100000750040_100000230001 [0,1,0,0,0,0|3,0,0]=4 2014 B9R0.46 CNC(=O)COCCON 34a_100000700252_100000183359 [0,1,0,0,0,0|3,0,0]=4 2015 B9R0.46 CNC(=O)CSCCCF 62a_100000183359_100011934791 [0,1,0,0,0,0|3,0,0]=4 2016 B9R0.46 CNC(=O)CSCCCF 62a_100011934791_100000183359 [0,1,0,0,0,0|3,0,0]=4 2017 B9R0.46 CNC(=O)CSCCCO 62a_100000183359_100011215043 [0,1,0,0,0,0|3,0,0]=4 2018 B9R0.46 CNC(=O)CSCCCO 62a_100011215043_100000183359 [0,1,0,0,0,0|3,0,0]=4 2019 B9R0.46 CNC(=O)NCCCCO 2708a_100000750430_106832991635 [0,1,0,0,0,0|3,0,0]=4 2020 B9R0.46 CNC(=O)NCCCCO 2708a_100102657272_100000750430 [0,1,0,0,0,0|3,0,0]=4 2021 B9R0.46 CNC(=O)NCCCCO 273464a_100000750430_100102657272 [0,1,0,0,0,0|3,0,0]=4 2022 B9R0.46 CNC(=O)NCCCCO 273464a_100102657272_100000750430 [0,1,0,0,0,0|3,0,0]=4 2023 B9R0.46 CNC(=O)NCCCCO 512a_100000750430_100102657272 [0,1,0,0,0,0|3,0,0]=4 2024 B9R0.46 CNC(=O)NCCCCO 512a_106832991638_100000750430 [0,1,0,0,0,0|3,0,0]=4 2025 B9R0.46 CNCCCCC(=O)OC 2230a_106832991635_100000204269 [0,1,0,0,0,0|2,0,0]=3 2026 B9R0.46 CNCCCCC(=O)OC 34a_100102657272_100000204269 [0,1,0,0,0,0|2,0,0]=3 2027 B9R0.46 CNCCCCC(=O)OC 7a_106832991635_100000204269 [0,1,0,0,0,0|2,0,0]=3 2028 B9R0.46 CNCCOCC(=O)OC 2230a_106832991635_100000090808 [0,1,0,0,0,0|3,0,0]=4 2029 B9R0.46 CNCCOCC(=O)OC 34a_100102657272_100000090808 [0,1,0,0,0,0|3,0,0]=4 2030 B9R0.46 CNCCOCC(=O)OC 7a_106832991635_100000090808 [0,1,0,0,0,0|3,0,0]=4 2031 B9R0.46 COC(=O)CCCCO[13CH3] 34a_100000059025_200025704644 [0,1,0,0,0,0|2,0,0]=3 2032 B9R0.46 COC(=O)CCCCO[13CH3] 7a_100000059025_200025704644 [0,1,0,0,0,0|2,0,0]=3 2033 B9R0.46 COC(=O)CCCCSC 62a_100000204269_200000210301 [0,1,0,0,0,0|2,0,0]=3 2034 B9R0.46 COC(=O)CCCCSC 62a_200000210301_100000204269 [0,1,0,0,0,0|2,0,0]=3 2035 B9R0.46 COC(=O)CCCCS[13CH3] 62a_100000204269_200025704644 [0,1,0,0,0,0|2,0,0]=3 2036 B9R0.46 COC(=O)CCCCS[13CH3] 62a_200025704644_100000204269 [0,1,0,0,0,0|2,0,0]=3 2037 B9R0.46 COC(=O)CCCSCF 62a_100011218270_100015361967 [0,1,0,0,0,0|2,0,0]=3 2038 B9R0.46 COC(=O)CCCSCF 62a_100015361967_100011218270 [0,1,0,0,0,0|2,0,0]=3 2039 B9R0.46 COC(=O)CCNCCF 34a_100000724931_100000742370 [0,1,0,0,0,0|2,0,0]=3 2040 B9R0.46 COC(=O)CCNCCO 2230a_100016997473_100000204255 [0,1,0,0,0,0|2,0,0]=3 2041 B9R0.46 COC(=O)CCNCCO 34a_100016990907_100000742370 [0,1,0,0,0,0|2,0,0]=3 2042 B9R0.46 COC(=O)CCOCCBr 34a_100000211926_100000742370 [0,1,0,0,0,0|2,0,0]=3 2043 B9R0.46 COC(=O)CCOCCN 34a_100000210304_100000742370 [0,1,0,0,0,0|1,0,0]=2 2044 B9R0.46 COC(=O)CCSCC#N 62a_100000204255_100011215382 [0,1,0,0,0,0|1,0,2]=4 2045 B9R0.46 COC(=O)CCSCC#N 62a_100011215382_100000204255 [0,1,0,0,0,0|1,0,2]=4 2046 B9R0.46 COC(=O)CCSCC=O 62a_100000204255_200015260668 [0,1,0,0,0,0|2,0,1]=4 2047 B9R0.46 COC(=O)CCSCC=O 62a_200015260668_100000204255 [0,1,0,0,0,0|2,0,1]=4 2048 B9R0.46 COC(=O)CCSCCF 62a_100000204255_100011217306 [0,1,0,0,0,0|2,0,0]=3 2049 B9R0.46 COC(=O)CCSCCF 62a_100011217306_100000204255 [0,1,0,0,0,0|2,0,0]=3 2050 B9R0.46 COC(=O)CCSCCO 62a_100000204255_100000211926 [0,1,0,0,0,0|2,0,0]=3 2051 B9R0.46 COC(=O)CCSCCO 62a_100000211926_100000204255 [0,1,0,0,0,0|2,0,0]=3 2052 B9R0.46 COC(=O)CCSCSC 62a_100000204255_100011218213 [0,1,0,0,0,0|3,0,0]=4 2053 B9R0.46 COC(=O)CCSCSC 62a_100011218213_100000204255 [0,1,0,0,0,0|3,0,0]=4 2054 B9R0.46 COC(=O)CNCCCF 2230a_100015189416_100000747449 [0,1,0,0,0,0|2,0,0]=3 2055 B9R0.46 COC(=O)CNCCCF 34a_100015189416_100000747449 [0,1,0,0,0,0|2,0,0]=3 2056 B9R0.46 COC(=O)CNCCSC 2230a_100020590264_100000747449 [0,1,0,0,0,0|3,0,0]=4 2057 B9R0.46 COC(=O)COCCCBr 34a_100011217188_100000747449 [0,1,0,0,0,0|2,0,0]=3 2058 B9R0.46 COC(=O)COCCCCl 34a_100000230001_100000747449 [0,1,0,0,0,0|2,0,0]=3 2059 B9R0.46 COC(=O)COCCCF 34a_100000759539_100000747449 [0,1,0,0,0,0|2,0,0]=3 2060 B9R0.46 COC(=O)COCCCN 34a_100000182051_100000747449 [0,1,0,0,0,0|1,0,0]=2 2061 B9R0.46 COC(=O)COCCON 34a_100000700252_100000747449 [0,1,0,0,0,0|2,0,0]=3 2062 B9R0.46 COC(=O)COCCSC 34a_100000230434_100000747449 [0,1,0,0,0,0|3,0,0]=4 2063 B9R0.46 COC(=O)COCCSC 62a_100000090808_200000210301 [0,1,0,0,0,0|3,0,0]=4 2064 B9R0.46 COC(=O)COCCSC 62a_200000210301_100000090808 [0,1,0,0,0,0|3,0,0]=4 2065 B9R0.46 COC(=O)COCCSC 7a_100000230434_100000747449 [0,1,0,0,0,0|3,0,0]=4 2066 B9R0.46 COC(=O)COCCS[13CH3] 62a_100000090808_200025704644 [0,1,0,0,0,0|3,0,0]=4 2067 B9R0.46 COC(=O)COCCS[13CH3] 62a_200025704644_100000090808 [0,1,0,0,0,0|3,0,0]=4 2068 B9R0.46 COC(=O)CSCCC#N 62a_100000747449_100011215226 [0,1,0,0,0,0|1,0,2]=4 2069 B9R0.46 COC(=O)CSCCC#N 62a_100011215226_100000747449 [0,1,0,0,0,0|1,0,2]=4 2070 B9R0.46 COC(=O)CSCCCF 62a_100000747449_100011934791 [0,1,0,0,0,0|2,0,0]=3 2071 B9R0.46 COC(=O)CSCCCF 62a_100011934791_100000747449 [0,1,0,0,0,0|2,0,0]=3 2072 B9R0.46 COC(=O)CSCCCO 62a_100000747449_100011215043 [0,1,0,0,0,0|2,0,0]=3 2073 B9R0.46 COC(=O)CSCCCO 62a_100011215043_100000747449 [0,1,0,0,0,0|2,0,0]=3 2074 B9R0.46 COC(=O)CSCCSC 62a_100000212216_100000747449 [0,1,0,0,0,0|3,0,0]=4 2075 B9R0.46 COC(=O)CSCCSC 62a_100000747449_100000751147 [0,1,0,0,0,0|3,0,0]=4 2076 B9R0.46 COC(=O)NCCOCF 34a_100000757965_100015361967 [0,1,0,0,0,0|3,0,0]=4 2077 B9R0.46 COC(=O)OCCOCF 34a_100010262106_100015361967 [0,1,0,0,0,0|3,0,0]=4 2078 B9R0.46 COC(=O)OCSCCF 62a_100011217306_100000139417 [0,1,0,0,0,0|3,0,0]=4 2079 B9R0.46 COC(=O)OCSCCO 62a_100000211926_100000139417 [0,1,0,0,0,0|3,0,0]=4 2080 B9R0.46 COCCCCC(=O)CO 1458a_100000210174_100000755781 [0,1,0,0,0,0|2,0,0]=3 2081 B9R0.46 COCCCCC(=O)OC 34a_100000059025_200000210301 [0,1,0,0,0,0|2,0,0]=3 2082 B9R0.46 COCCCCC(=O)OC 34a_100138415774_100000204269 [0,1,0,0,0,0|2,0,0]=3 2083 B9R0.46 COCCCCC(=O)OC 7a_100000059025_200000210301 [0,1,0,0,0,0|2,0,0]=3 2084 B9R0.46 COCCCNC(=O)CO 240690a_100150723488_100000210174 [0,1,0,0,0,0|3,0,0]=4 2085 B9R0.46 COCCCNC(=O)CO 527a_100150723488_100000210174 [0,1,0,0,0,0|3,0,0]=4 2086 B9R0.46 COCCNCC(=O)OC 2230a_100000209980_100000747449 [0,1,0,0,0,0|3,0,0]=4 2087 B9R0.46 COCCOCC(=O)OC 34a_100000210237_100000747449 [0,1,0,0,0,0|3,0,0]=4 2088 B9R0.46 COCCOCC(=O)OC 34a_100138415774_100000090808 [0,1,0,0,0,0|3,0,0]=4 2089 B9R0.46 COCCSCC(=O)OC 62a_100000233755_100000747449 [0,1,0,0,0,0|3,0,0]=4 2090 B9R0.46 COCCSCC(=O)OC 62a_100000747449_100000233755 [0,1,0,0,0,0|3,0,0]=4 2091 B9R0.46 COCSCCC(=O)OC 62a_100000204255_100000766300 [0,1,0,0,0,0|3,0,0]=4 2092 B9R0.46 COCSCCC(=O)OC 62a_100000766300_100000204255 [0,1,0,0,0,0|3,0,0]=4 2093 B9R0.46 CSCCCNC(=O)CO 240690a_100000749238_100000210174 [0,1,0,0,0,0|3,0,0]=4 2094 B9R0.46 CSCCCNC(=O)CO 527a_100000749238_100000210174 [0,1,0,0,0,0|3,0,0]=4 2095 B9R0.46 C[C@@H](CO)COCCCN 34a_100000182051_100000059175 [0,1,0,0,0,0|2,0,1]=4 2096 B9R0.46 N#CCCCCC(=O)CO 1458a_100000210174_100000211819 [0,1,0,0,0,0|0,0,2]=3 2097 B9R0.46 N#CCOCCC(=O)CO 1458a_100000210174_200000047693 [0,1,0,0,0,0|1,0,2]=4 2098 B9R0.46 NC(=NO)CCOCCF 34a_100000749954_100011217306 [0,1,0,0,0,0|3,0,0]=4 2099 B9R0.46 NC(=NO)CCOCCO 34a_100000749954_100000211926 [0,1,0,0,0,0|3,0,0]=4 2100 B9R0.46 NCCCOCC(O)CO 34a_100000182051_100011219619 [0,1,0,0,0,0|1,0,2]=4 2101 B9R0.46 NCCCOC[C@@H](O)CF 34a_100000182051_100015614560 [0,1,0,0,0,0|2,0,1]=4 2102 B9R0.46 NCCCOC[C@@H](O)CO 34a_100000182051_100009815848 [0,1,0,0,0,0|1,0,2]=4 2103 B9R0.46 NNC(=O)CCCOCF 34a_100000211488_100015361967 [0,1,0,0,0,0|3,0,0]=4 2104 B9R0.46 O=C(CF)CCCCCO 1458a_100102619762_100015361967 [0,1,0,0,0,0|2,0,0]=3 2105 B9R0.46 O=C(CF)CCOCCO 1458a_100011229844_100015361967 [0,1,0,0,0,0|3,0,0]=4 2106 B9R0.46 O=C(CO)CCCCCF 1458a_100000210174_100000729378 [0,1,0,0,0,0|1,0,0]=2 2107 B9R0.46 O=C(CO)CCCCCO 1458a_100000210174_100000746330 [0,1,0,0,0,0|1,0,0]=2 2108 B9R0.46 O=C(CO)CCOCCO 1458a_100000210174_100011215305 [0,1,0,0,0,0|2,0,0]=3 2109 B9R0.46 O=C(CO)NCCCCO 240690a_100000750430_100000210174 [0,1,0,0,0,0|2,0,0]=3 2110 B9R0.46 O=C(CO)NCCCCO 527a_100000750430_100000210174 [0,1,0,0,0,0|2,0,0]=3 2111 B9R0.47 C#CCCN[C@@H](C)C(=O)O 269956a_100000743915_100000688953 [0,1,0,0,0,0|2,0,1]=4 2112 B9R0.47 C#CCNCC(C)C(=O)O 269956a_100000749485_100000184674 [0,1,0,0,0,0|2,0,1]=4 2113 B9R0.47 C#CCNCC(F)C(=O)O 269956a_100000084737_100000184674 [0,1,0,0,0,0|2,0,1]=4 2114 B9R0.47 C=CCCN[C@@H](C)C(=O)O 269956a_100000743915_100000754431 [0,1,0,0,0,0|2,0,1]=4 2115 B9R0.47 C=CCNCC(C)C(=O)O 269956a_100000749485_100000210623 [0,1,0,0,0,0|2,0,1]=4 2116 B9R0.47 C=CCNCC(F)C(=O)O 269956a_100000084737_100000210623 [0,1,0,0,0,0|2,0,1]=4 2117 B9R0.47 CC(=O)C(=O)COCCN 34a_100000210304_100011261029 [0,1,0,0,0,0|2,0,1]=4 2118 B9R0.47 CC(=O)C(C)COCCF 34a_100000032740_100011217306 [0,1,0,0,0,0|3,0,0]=4 2119 B9R0.47 CC(=O)C(C)COCCF 7a_100000032740_100011217306 [0,1,0,0,0,0|3,0,0]=4 2120 B9R0.47 CC(=O)C(C)COCCO 34a_100000032740_100000211926 [0,1,0,0,0,0|3,0,0]=4 2121 B9R0.47 CC(=O)C(C)COCCO 7a_100000032740_100000211926 [0,1,0,0,0,0|3,0,0]=4 2122 B9R0.47 CC(=O)C(C)NCCCF 2230a_100015189416_100009814033 [0,1,0,0,0,0|3,0,0]=4 2123 B9R0.47 CC(=O)C(C)OCCCF 34a_100000212229_100011934791 [0,1,0,0,0,0|3,0,0]=4 2124 B9R0.47 CC(=O)C(C)OCCCO 34a_100000212229_100000230001 [0,1,0,0,0,0|3,0,0]=4 2125 B9R0.47 CC(=O)C(C)SCCCF 62a_100009814033_100011934791 [0,1,0,0,0,0|3,0,0]=4 2126 B9R0.47 CC(=O)C(C)SCCCF 62a_100011934791_100009814033 [0,1,0,0,0,0|3,0,0]=4 2127 B9R0.47 CC(=O)C(C)SCCCO 62a_100009814033_100011215043 [0,1,0,0,0,0|3,0,0]=4 2128 B9R0.47 CC(=O)C(C)SCCCO 62a_100011215043_100009814033 [0,1,0,0,0,0|3,0,0]=4 2129 B9R0.47 CC(=O)N(C)CCCCO 240690a_100000717598_100015343762 [0,1,0,0,0,0|3,0,0]=4 2130 B9R0.47 CC(CNCC#N)C(=O)O 269956a_100000749485_100011215382 [0,1,0,0,0,0|1,0,2]=4 2131 B9R0.47 CC(CNCC=O)C(=O)O 269956a_100000749485_200015260668 [0,1,0,0,0,0|2,0,1]=4 2132 B9R0.47 CC(CNCCF)C(=O)O 269956a_100000749485_100011217306 [0,1,0,0,0,0|2,0,0]=3 2133 B9R0.47 CC(CNCCO)C(=O)O 269956a_100000749485_100000211926 [0,1,0,0,0,0|2,0,0]=3 2134 B9R0.47 CC(NCCCF)C(=O)N 2230a_100015189416_100000702099 [0,1,0,0,0,0|3,0,0]=4 2135 B9R0.47 CC(NCCCF)C(=O)N 34a_100015189416_100000702099 [0,1,0,0,0,0|3,0,0]=4 2136 B9R0.47 CC(OCCCBr)C(=O)N 34a_100011217188_100000702099 [0,1,0,0,0,0|3,0,0]=4 2137 B9R0.47 CC(OCCCCl)C(=O)N 34a_100000230001_100000702099 [0,1,0,0,0,0|3,0,0]=4 2138 B9R0.47 CC(OCCCF)C(=O)N 34a_100000759539_100000702099 [0,1,0,0,0,0|3,0,0]=4 2139 B9R0.47 CC(OCCCN)C(=O)N 34a_100000182051_100000702099 [0,1,0,0,0,0|2,0,0]=3 2140 B9R0.47 CC(OCCON)C(=O)N 34a_100000700252_100000702099 [0,1,0,0,0,0|3,0,0]=4 2141 B9R0.47 CC(SCCCF)C(=O)N 62a_100000702099_100011934791 [0,1,0,0,0,0|3,0,0]=4 2142 B9R0.47 CC(SCCCF)C(=O)N 62a_100011934791_100000702099 [0,1,0,0,0,0|3,0,0]=4 2143 B9R0.47 CC(SCCCO)C(=O)N 62a_100000702099_100011215043 [0,1,0,0,0,0|3,0,0]=4 2144 B9R0.47 CC(SCCCO)C(=O)N 62a_100011215043_100000702099 [0,1,0,0,0,0|3,0,0]=4 2145 B9R0.47 CCCCCC(C)C(=O)C 1458a_100000070787_200011218191 [0,1,0,0,0,0|2,0,0]=3 2146 B9R0.47 CCCCCC(C)C(=O)C 1458a_100011215998_200000210301 [0,1,0,0,0,0|2,0,0]=3 2147 B9R0.47 CCCCCC(C)C(=O)[13CH3] 1458a_100011215998_200025704644 [0,1,0,0,0,0|2,0,0]=3 2148 B9R0.47 CCCCCN(C)C(=O)C 11a_100000223495_100015343762 [0,1,0,0,0,0|3,0,0]=4 2149 B9R0.47 CCCCCN(C)C(=O)C 1626a_100000223495_100015343762 [0,1,0,0,0,0|3,0,0]=4 2150 B9R0.47 CCCCCN(C)C(=O)C 240690a_100000223495_100015343762 [0,1,0,0,0,0|3,0,0]=4 2151 B9R0.47 CCCCCN(C)C(=O)C 527a_100000223495_100103153847 [0,1,0,0,0,0|3,0,0]=4 2152 B9R0.47 CCCCNC(C)C(=O)C 2230a_100000102301_100009814033 [0,1,0,0,0,0|3,0,0]=4 2153 B9R0.47 CCCCNC(C)C(=O)C 7a_106832991798_100000179758 [0,1,0,0,0,0|3,0,0]=4 2154 B9R0.47 CCCCNC(C)C(=O)N 2230a_100000102301_100000702099 [0,1,0,0,0,0|3,0,0]=4 2155 B9R0.47 CCCCNC(C)C(=O)N 7a_106832991798_100000702099 [0,1,0,0,0,0|3,0,0]=4 2156 B9R0.47 CCCCNC(F)C(=O)N 2230a_100000102301_100009813875 [0,1,0,0,0,0|3,0,0]=4 2157 B9R0.47 CCCCNC(F)C(=O)N 7a_106832991798_100009813875 [0,1,0,0,0,0|3,0,0]=4 2158 B9R0.47 CCCCN[C@@H](C)C(=O)O 269956a_100000743915_100000210211 [0,1,0,0,0,0|2,0,0]=3 2159 B9R0.47 CCCCN[C@H](C)C(=O)N 2230a_100000119354_100000210211 [0,1,0,0,0,0|3,0,0]=4 2160 B9R0.47 CCCCN[C@H](C)C(=O)N 34a_100000119354_100000210210 [0,1,0,0,0,0|3,0,0]=4 2161 B9R0.47 CCCCOC(C)C(=O)C 34a_100000212229_100000210210 [0,1,0,0,0,0|3,0,0]=4 2162 B9R0.47 CCCCOC(C)C(=O)C 7a_100000210227_100000179758 [0,1,0,0,0,0|3,0,0]=4 2163 B9R0.47 CCCCOC(C)C(=O)N 34a_100000210227_100000702099 [0,1,0,0,0,0|3,0,0]=4 2164 B9R0.47 CCCCOC(C)C(=O)N 7a_100000210227_100000702099 [0,1,0,0,0,0|3,0,0]=4 2165 B9R0.47 CCCCOC(F)C(=O)N 34a_100000210227_100009813875 [0,1,0,0,0,0|3,0,0]=4 2166 B9R0.47 CCCCOC(F)C(=O)N 7a_100000210227_100009813875 [0,1,0,0,0,0|3,0,0]=4 2167 B9R0.47 CCCCOC(F)C(=O)[O-] 34a_100000210227_100020610796 [0,1,0,0,0,0|2,0,1]=4 2168 B9R0.47 CCCCO[C@@H](C)C(=O)[O-] 7a_217856618621_100000210211 [0,1,0,0,0,0|2,0,1]=4 2169 B9R0.47 CCCCO[C@H](C)C(=O)N 34a_100000731257_100000210210 [0,1,0,0,0,0|3,0,0]=4 2170 B9R0.47 CCCCO[C@H](C)C(=O)N 7a_100000731257_100000210211 [0,1,0,0,0,0|3,0,0]=4 2171 B9R0.47 CCCCSC(C)C(=O)C 1458a_100000191163_200000210301 [0,1,0,0,0,0|3,0,0]=4 2172 B9R0.47 CCCCSC(C)C(=O)C 62a_100000210211_100009814033 [0,1,0,0,0,0|3,0,0]=4 2173 B9R0.47 CCCCSC(C)C(=O)C 62a_100009814033_100000210210 [0,1,0,0,0,0|3,0,0]=4 2174 B9R0.47 CCCCSC(C)C(=O)N 62a_100000210211_100000702099 [0,1,0,0,0,0|3,0,0]=4 2175 B9R0.47 CCCCSC(C)C(=O)N 62a_100000702099_100000210210 [0,1,0,0,0,0|3,0,0]=4 2176 B9R0.47 CCCCSC(C)C(=O)[13CH3] 1458a_100000191163_200025704644 [0,1,0,0,0,0|3,0,0]=4 2177 B9R0.47 CCCCSC(F)C(=O)N 62a_100000210211_100009813875 [0,1,0,0,0,0|3,0,0]=4 2178 B9R0.47 CCCCSC(F)C(=O)N 62a_100009813875_100000210210 [0,1,0,0,0,0|3,0,0]=4 2179 B9R0.47 CCCCSC(F)C(=O)[O-] 62a_100000210211_100020610796 [0,1,0,0,0,0|2,0,1]=4 2180 B9R0.47 CCCCSC(F)C(=O)[O-] 62a_100020610796_100000210210 [0,1,0,0,0,0|2,0,1]=4 2181 B9R0.47 CCCNCC(C)C(=O)O 269956a_100000749485_100000210207 [0,1,0,0,0,0|2,0,0]=3 2182 B9R0.47 CCCNCC(F)C(=O)O 269956a_100000084737_100000210207 [0,1,0,0,0,0|2,0,0]=3 2183 B9R0.47 CCCOCC(C)C(=O)C 34a_100000032740_100000210303 [0,1,0,0,0,0|3,0,0]=4 2184 B9R0.47 CCCOCC(C)C(=O)C 7a_100000032740_100000210303 [0,1,0,0,0,0|3,0,0]=4 2185 B9R0.47 CCCOC[C@H](N)C(=O)N 34a_100000729942_100000210303 [0,1,0,0,0,0|3,0,0]=4 2186 B9R0.47 CCOCN[C@@H](C)C(=O)O 269956a_100000743915_100000739092 [0,1,0,0,0,0|3,0,0]=4 2187 B9R0.47 COCCN[C@@H](C)C(=O)O 269956a_100000743915_100000233755 [0,1,0,0,0,0|3,0,0]=4 2188 B9R0.47 COCNCC(C)C(=O)O 269956a_100000749485_100000766300 [0,1,0,0,0,0|3,0,0]=4 2189 B9R0.47 COCNCC(F)C(=O)O 269956a_100000084737_100000766300 [0,1,0,0,0,0|3,0,0]=4 2190 B9R0.47 CSCCN[C@@H](C)C(=O)O 269956a_100000743915_100000212216 [0,1,0,0,0,0|3,0,0]=4 2191 B9R0.47 CSCNCC(C)C(=O)O 269956a_100000749485_100011218213 [0,1,0,0,0,0|3,0,0]=4 2192 B9R0.47 CSCNCC(F)C(=O)O 269956a_100000084737_100011218213 [0,1,0,0,0,0|3,0,0]=4 2193 B9R0.47 C[C@@H](NCCCF)C(=O)N 2230a_100000119354_100011934791 [0,1,0,0,0,0|3,0,0]=4 2194 B9R0.47 C[C@@H](NCCCF)C(=O)N 34a_100000119354_100011934791 [0,1,0,0,0,0|3,0,0]=4 2195 B9R0.47 C[C@@H](NCCCO)C(=O)N 2230a_100000119354_100000230001 [0,1,0,0,0,0|3,0,0]=4 2196 B9R0.47 C[C@@H](NCCCO)C(=O)N 34a_100000119354_100000230001 [0,1,0,0,0,0|3,0,0]=4 2197 B9R0.47 C[C@@H](OCCCF)C(=O)N 34a_100000731257_100011934791 [0,1,0,0,0,0|3,0,0]=4 2198 B9R0.47 C[C@@H](OCCCF)C(=O)N 7a_100000731257_100011934791 [0,1,0,0,0,0|3,0,0]=4 2199 B9R0.47 C[C@@H](OCCCO)C(=O)N 34a_100000731257_100000230001 [0,1,0,0,0,0|3,0,0]=4 2200 B9R0.47 C[C@@H](OCCCO)C(=O)N 7a_100000731257_100011215043 [0,1,0,0,0,0|3,0,0]=4 2201 B9R0.47 C[C@H](NCCC#N)C(=O)O 269956a_100000743915_100011215226 [0,1,0,0,0,0|1,0,2]=4 2202 B9R0.47 C[C@H](NCCCF)C(=O)O 269956a_100000743915_100011934791 [0,1,0,0,0,0|2,0,0]=3 2203 B9R0.47 C[C@H](NCCCO)C(=O)O 269956a_100000743915_100011215043 [0,1,0,0,0,0|2,0,0]=3 2204 B9R0.47 C[C@H](OCCCF)C(=O)[O-] 7a_217856618621_100011934791 [0,1,0,0,0,0|2,0,1]=4 2205 B9R0.47 C[C@H](OCCCO)C(=O)[O-] 7a_217856618621_100011215043 [0,1,0,0,0,0|2,0,1]=4 2206 B9R0.47 N#CCNCC(F)C(=O)O 269956a_100000084737_100011215382 [0,1,0,0,0,0|1,0,2]=4 2207 B9R0.47 NC(=O)C(F)NCCCF 2230a_100015189416_100009813875 [0,1,0,0,0,0|3,0,0]=4 2208 B9R0.47 NC(=O)C(F)NCCCF 34a_100015189416_100009813875 [0,1,0,0,0,0|3,0,0]=4 2209 B9R0.47 NC(=O)C(F)OCCCBr 34a_100011217188_100009813875 [0,1,0,0,0,0|3,0,0]=4 2210 B9R0.47 NC(=O)C(F)OCCCCl 34a_100000230001_100009813875 [0,1,0,0,0,0|3,0,0]=4 2211 B9R0.47 NC(=O)C(F)OCCCF 34a_100000759539_100009813875 [0,1,0,0,0,0|3,0,0]=4 2212 B9R0.47 NC(=O)C(F)SCCCF 62a_100009813875_100011934791 [0,1,0,0,0,0|3,0,0]=4 2213 B9R0.47 NC(=O)C(F)SCCCF 62a_100011934791_100009813875 [0,1,0,0,0,0|3,0,0]=4 2214 B9R0.47 NC(=O)C(F)SCCCO 62a_100009813875_100011215043 [0,1,0,0,0,0|3,0,0]=4 2215 B9R0.47 NC(=O)C(F)SCCCO 62a_100011215043_100009813875 [0,1,0,0,0,0|3,0,0]=4 2216 B9R0.47 NC(=O)[C@@H](N)COCCF 34a_100000729942_100011217306 [0,1,0,0,0,0|3,0,0]=4 2217 B9R0.47 NC(=O)[C@@H](N)COCCO 34a_100000729942_100000211926 [0,1,0,0,0,0|3,0,0]=4 2218 B9R0.47 NCCCOC(F)C(=O)N 34a_100000182051_100009813875 [0,1,0,0,0,0|2,0,0]=3 2219 B9R0.47 NCCCOC(F)C(=O)[O-] 34a_100000182051_100020610796 [0,1,0,0,0,0|1,0,1]=3 2220 B9R0.47 NOCCOC(F)C(=O)N 34a_100000700252_100009813875 [0,1,0,0,0,0|3,0,0]=4 2221 B9R0.47 NOCCOC(F)C(=O)[O-] 34a_100000700252_100020610796 [0,1,0,0,0,0|2,0,1]=4 2222 B9R0.47 O=C(O)C(F)CNCCF 269956a_100000084737_100011217306 [0,1,0,0,0,0|2,0,0]=3 2223 B9R0.47 O=C(O)C(F)CNCCO 269956a_100000084737_100000211926 [0,1,0,0,0,0|2,0,0]=3 2224 B9R0.47 O=C([O-])C(F)NCCCF 34a_100015189416_100020610796 [0,1,0,0,0,0|2,0,1]=4 2225 B9R0.47 O=C([O-])C(F)OCCCBr 34a_100011217188_100020610796 [0,1,0,0,0,0|2,0,1]=4 2226 B9R0.47 O=C([O-])C(F)OCCCCl 34a_100000230001_100020610796 [0,1,0,0,0,0|2,0,1]=4 2227 B9R0.47 O=C([O-])C(F)OCCCF 34a_100000759539_100020610796 [0,1,0,0,0,0|2,0,1]=4 2228 B9R0.47 O=C([O-])C(F)SCCCF 62a_100011934791_100020610796 [0,1,0,0,0,0|2,0,1]=4 2229 B9R0.47 O=C([O-])C(F)SCCCF 62a_100020610796_100011934791 [0,1,0,0,0,0|2,0,1]=4 2230 B9R0.47 O=C([O-])C(F)SCCCO 62a_100011215043_100020610796 [0,1,0,0,0,0|2,0,1]=4 2231 B9R0.47 O=C([O-])C(F)SCCCO 62a_100020610796_100011215043 [0,1,0,0,0,0|2,0,1]=4 2232 B9R0.47 O=CCNCC(F)C(=O)O 269956a_100000084737_200015260668 [0,1,0,0,0,0|2,0,1]=4 2233 B9R0.48 CC(=O)CCN(C)CCO 269982a_100000210263_100000053229 [0,1,0,0,0,0|3,0,0]=4 2234 B9R0.48 CC(=O)COC(C)CCO 34a_100000211253_100009893172 [0,1,0,0,0,0|3,0,0]=4 2235 B9R0.48 CC(CC#N)NCC(=O)O 269956a_100016091260_100009813641 [0,1,0,0,0,0|1,0,2]=4 2236 B9R0.48 CC(CCBr)OCC(=O)N 34a_100012276601_100000187820 [0,1,0,0,0,0|3,0,0]=4 2237 B9R0.48 CC(CCBr)OCC(=O)[O-] 34a_100012276601_100020667443 [0,1,0,0,0,0|2,0,1]=4 2238 B9R0.48 CC(CCO)NCC(=O)N 2230a_100000711301_100009893172 [0,1,0,0,0,0|3,0,0]=4 2239 B9R0.48 CC(CCO)NCC(=O)O 269956a_100016091260_100009893172 [0,1,0,0,0,0|2,0,0]=3 2240 B9R0.48 CC(CCO)SCC(=O)N 62a_100000747473_100009893172 [0,1,0,0,0,0|3,0,0]=4 2241 B9R0.48 CC(CCO)SCC(=O)N 62a_100009893172_100000747473 [0,1,0,0,0,0|3,0,0]=4 2242 B9R0.48 CC(CCO)SCC(=O)[O-] 62a_100009893172_100020667443 [0,1,0,0,0,0|2,0,1]=4 2243 B9R0.48 CC(CCO)SCC(=O)[O-] 62a_100020667443_100009893172 [0,1,0,0,0,0|2,0,1]=4 2244 B9R0.48 CCCC(=O)CCC(=O)N 1458a_100011215257_100000210303 [0,1,0,0,0,0|2,0,1]=4 2245 B9R0.48 CCCC(C)NCC(=O)N 2230a_100000711301_100000766640 [0,1,0,0,0,0|3,0,0]=4 2246 B9R0.48 CCCC(C)NCC(=O)N 2230a_100000741246_100000747473 [0,1,0,0,0,0|3,0,0]=4 2247 B9R0.48 CCCC(C)NCC(=O)O 269956a_100016091260_100000766640 [0,1,0,0,0,0|2,0,0]=3 2248 B9R0.48 CCCC(C)OCC(=O)C 34a_100000211253_100000766640 [0,1,0,0,0,0|3,0,0]=4 2249 B9R0.48 CCCC(C)OCC(=O)N 34a_100000764384_100000187820 [0,1,0,0,0,0|3,0,0]=4 2250 B9R0.48 CCCC(C)OCC(=O)N 7a_100000764384_100000187820 [0,1,0,0,0,0|3,0,0]=4 2251 B9R0.48 CCCC(C)OCC(=O)[O-] 34a_100000764384_100020667443 [0,1,0,0,0,0|2,0,1]=4 2252 B9R0.48 CCCC(C)SCC(=O)N 62a_100000747473_100000766640 [0,1,0,0,0,0|3,0,0]=4 2253 B9R0.48 CCCC(C)SCC(=O)N 62a_100000766640_100000747473 [0,1,0,0,0,0|3,0,0]=4 2254 B9R0.48 CCCC(C)SCC(=O)[O-] 62a_100000766640_100020667443 [0,1,0,0,0,0|2,0,1]=4 2255 B9R0.48 CCCC(C)SCC(=O)[O-] 62a_100020667443_100000766640 [0,1,0,0,0,0|2,0,1]=4 2256 B9R0.48 CCCN(C)CCC(=O)C 269982a_100000747261_100000053229 [0,1,0,0,0,0|3,0,0]=4 2257 B9R0.48 CCCN(C)CCC(=O)N 2230a_100000730477_100000210303 [0,1,0,0,0,0|3,0,0]=4 2258 B9R0.48 CCCN(C)CCC(=O)N 2230a_100000747261_100000744528 [0,1,0,0,0,0|3,0,0]=4 2259 B9R0.48 CCCN(C)CCC(=O)N 269982a_100000747261_100000744528 [0,1,0,0,0,0|3,0,0]=4 2260 B9R0.48 CN(CCF)CCC(=O)N 2230a_100000730477_100011217306 [0,1,0,0,0,0|3,0,0]=4 2261 B9R0.48 CN(CCO)CCC(=O)N 2230a_100000210263_100000744528 [0,1,0,0,0,0|3,0,0]=4 2262 B9R0.48 CN(CCO)CCC(=O)N 2230a_100000730477_100000211926 [0,1,0,0,0,0|3,0,0]=4 2263 B9R0.48 CN(CCO)CCC(=O)N 269982a_100000210263_100000744528 [0,1,0,0,0,0|3,0,0]=4 2264 B9R0.48 COCC(C)NCC(=O)O 269956a_100016091260_100000765312 [0,1,0,0,0,0|3,0,0]=4 2265 B9R0.48 C[C@H](CCO)NCC(=O)N 2230a_100000706166_100000747473 [0,1,0,0,0,0|3,0,0]=4 2266 B9R0.48 C[C@H](CCO)NCC(=O)N 34a_100000706166_100000187820 [0,1,0,0,0,0|3,0,0]=4 2267 B9R0.48 C[C@H](CCO)NCC(=O)[O-] 34a_100000706166_100020667443 [0,1,0,0,0,0|2,0,1]=4 2268 B9R0.48 NC(=O)CCC(=O)CCF 1458a_100011215257_100011217306 [0,1,0,0,0,0|2,0,1]=4 2269 B9R0.48 NC(=O)CCC(=O)CCO 1458a_100011215257_100000211926 [0,1,0,0,0,0|2,0,1]=4 2270 B9R0.55 C=C(C)CCNCC(=O)O 269956a_100016091260_100000730704 [0,1,0,0,0,0|2,0,1]=4 2271 B9R0.55 C=C(C)CCOC[C@@H](C)N 34a_100000737577_100000730704 [0,1,0,0,0,0|3,0,0]=4 2272 B9R0.55 C=C(C)COCC[C@@H](C)N 34a_100000706166_100000748629 [0,1,0,0,0,0|3,0,0]=4 2273 B9R0.55 C=C(F)COCC[C@@H](C)N 34a_100000706166_100009893438 [0,1,0,0,0,0|3,0,0]=4 2274 B9R0.55 CC(=O)CCCCB(O)O 1458a_100000070787_200009817182 [0,1,0,0,0,0|3,0,0]=4 2275 B9R0.55 CC(=O)CCCCC(=O)C 1458a_100000070787_100000735457 [0,1,0,0,0,0|2,0,1]=4 2276 B9R0.55 CC(=O)CCCCC(C)C 1458a_100000070787_100011216152 [0,1,0,0,0,0|2,0,0]=3 2277 B9R0.55 CC(=O)CCCCC(C)C 1458a_100011933920_200000210301 [0,1,0,0,0,0|2,0,0]=3 2278 B9R0.55 CC(=O)CCCCN(C)C 269982a_100102631434_100000735457 [0,1,0,0,0,0|3,0,0]=4 2279 B9R0.55 CC(=O)CCCN=C(N)N 1458a_100000034108_200000210301 [0,1,0,0,0,0|2,0,1]=4 2280 B9R0.55 CC(=O)CCCNC(C)C 34a_100138425928_100000685027 [0,1,0,0,0,0|3,0,0]=4 2281 B9R0.55 CC(=O)CCCOC(C)C 34a_100000212225_100000685027 [0,1,0,0,0,0|3,0,0]=4 2282 B9R0.55 CC(=O)CCCOC(C)C 34a_100000759063_100000210206 [0,1,0,0,0,0|3,0,0]=4 2283 B9R0.55 CC(=O)CCCOC(C)C 7a_100000759063_100000210206 [0,1,0,0,0,0|3,0,0]=4 2284 B9R0.55 CC(=O)CCCSC(C)C 62a_100000210206_100011215641 [0,1,0,0,0,0|3,0,0]=4 2285 B9R0.55 CC(=O)CCCSC(C)C 62a_100011215641_100000210206 [0,1,0,0,0,0|3,0,0]=4 2286 B9R0.55 CC(=O)CCNCC(=O)O 269956a_100016091260_100000053229 [0,1,0,0,0,0|2,0,1]=4 2287 B9R0.55 CC(=O)CCOCC(=O)N 1458a_100000070787_100000076697 [0,1,0,0,0,0|2,0,1]=4 2288 B9R0.55 CC(=O)CCOCC(=O)N 34a_100000759926_100000187820 [0,1,0,0,0,0|2,0,1]=4 2289 B9R0.55 CC(=O)CCOCC(=O)N 7a_100000759926_100000187820 [0,1,0,0,0,0|2,0,1]=4 2290 B9R0.55 CC(=O)CCOCC(C)C 34a_100000759926_100000210624 [0,1,0,0,0,0|3,0,0]=4 2291 B9R0.55 CC(=O)CCOCC(C)C 7a_100000759926_100000210760 [0,1,0,0,0,0|3,0,0]=4 2292 B9R0.55 CC(=O)CCOCC(C)O 34a_100000759926_100011218427 [0,1,0,0,0,0|3,0,0]=4 2293 B9R0.55 CC(=O)CCOCC(C)O 7a_100000759926_100011218427 [0,1,0,0,0,0|3,0,0]=4 2294 B9R0.55 CC(=O)CCOCC(F)F 1458a_100000070787_200012177212 [0,1,0,0,0,0|3,0,0]=4 2295 B9R0.55 CC(=O)CCOCC(F)F 34a_100000759926_100011934356 [0,1,0,0,0,0|3,0,0]=4 2296 B9R0.55 CC(=O)CCOCC(F)F 7a_100000759926_100011934356 [0,1,0,0,0,0|3,0,0]=4 2297 B9R0.55 CC(=O)CCOC[C@@H](C)O 34a_100000759926_100009817552 [0,1,0,0,0,0|3,0,0]=4 2298 B9R0.55 CC(=O)CCOC[C@@H](C)O 7a_100000759926_100009817552 [0,1,0,0,0,0|3,0,0]=4 2299 B9R0.55 CC(=O)CCSCC(=O)N 1458a_100000148550_200000210301 [0,1,0,0,0,0|2,0,1]=4 2300 B9R0.55 CC(=O)CCSCC(=O)N 62a_100000053229_100000747473 [0,1,0,0,0,0|2,0,1]=4 2301 B9R0.55 CC(=O)CCSCC(=O)N 62a_100000747473_100000053229 [0,1,0,0,0,0|2,0,1]=4 2302 B9R0.55 CC(=O)CCSCC(C)C 62a_100000053229_100000210760 [0,1,0,0,0,0|3,0,0]=4 2303 B9R0.55 CC(=O)CCSCC(C)C 62a_100000210624_100000053229 [0,1,0,0,0,0|3,0,0]=4 2304 B9R0.55 CC(=O)CCSCC(C)O 62a_100000053229_100011218427 [0,1,0,0,0,0|3,0,0]=4 2305 B9R0.55 CC(=O)CCSCC(C)O 62a_100011218427_100000053229 [0,1,0,0,0,0|3,0,0]=4 2306 B9R0.55 CC(=O)CCSCC(F)F 62a_100000053229_100011934356 [0,1,0,0,0,0|3,0,0]=4 2307 B9R0.55 CC(=O)CCSCC(F)F 62a_100011934356_100000053229 [0,1,0,0,0,0|3,0,0]=4 2308 B9R0.55 CC(=O)CCSC[C@@H](C)O 62a_100000053229_100009817552 [0,1,0,0,0,0|3,0,0]=4 2309 B9R0.55 CC(=O)CCSC[C@@H](C)O 62a_100009817552_100000053229 [0,1,0,0,0,0|3,0,0]=4 2310 B9R0.55 CC(=O)COCCC(=O)N 34a_100000211253_100000731001 [0,1,0,0,0,0|2,0,1]=4 2311 B9R0.55 CC(=O)COCCC(C)C 34a_100000211253_100000210312 [0,1,0,0,0,0|3,0,0]=4 2312 B9R0.55 CC(=O)COCCC(C)O 34a_100000211253_100012276601 [0,1,0,0,0,0|3,0,0]=4 2313 B9R0.55 CC(=O)NCCCC(=O)N 240690a_100000739312_100015343762 [0,1,0,0,0,0|2,0,1]=4 2314 B9R0.55 CC(=O)NCCCC(=O)N 527a_100000739312_100103153847 [0,1,0,0,0,0|2,0,1]=4 2315 B9R0.55 CC(=O)NCCCC(C)C 11a_200000737386_100015343762 [0,1,0,0,0,0|3,0,0]=4 2316 B9R0.55 CC(=O)NCCCC(C)C 1626a_200000737386_100015343762 [0,1,0,0,0,0|3,0,0]=4 2317 B9R0.55 CC(=O)NCCCC(C)C 240690a_200000737386_100015343762 [0,1,0,0,0,0|3,0,0]=4 2318 B9R0.55 CC(=O)NCCCC(C)C 527a_200000737386_100103153847 [0,1,0,0,0,0|3,0,0]=4 2319 B9R0.55 CC(=O)OCOC[C@@H](C)N 34a_100000737577_100009813279 [0,1,0,0,0,0|3,0,0]=4 2320 B9R0.55 CC(Br)CCOCC(=O)N 34a_100009893172_100000187820 [0,1,0,0,0,0|3,0,0]=4 2321 B9R0.55 CC(Br)CCOCC(=O)[O-] 34a_100009893172_100020667443 [0,1,0,0,0,0|2,0,1]=4 2322 B9R0.55 CC(Br)COCCC(=O)N 34a_100012180447_100000731001 [0,1,0,0,0,0|3,0,0]=4 2323 B9R0.55 CC(C)CCCCC(=O)[13CH3] 1458a_100011933920_200025704644 [0,1,0,0,0,0|2,0,0]=3 2324 B9R0.55 CC(C)CCNCC(=O)N 2230a_100000711301_100000210312 [0,1,0,0,0,0|3,0,0]=4 2325 B9R0.55 CC(C)CCNCC(=O)O 269956a_100016091260_100000210312 [0,1,0,0,0,0|2,0,0]=3 2326 B9R0.55 CC(C)CCOCC(=O)N 34a_100000210254_100000187820 [0,1,0,0,0,0|3,0,0]=4 2327 B9R0.55 CC(C)CCOCC(=O)N 7a_100000210254_100000187820 [0,1,0,0,0,0|3,0,0]=4 2328 B9R0.55 CC(C)CCOCC(=O)[O-] 34a_100000210254_100020667443 [0,1,0,0,0,0|2,0,1]=4 2329 B9R0.55 CC(C)CCSCC(=O)N 62a_100000210312_100000747473 [0,1,0,0,0,0|3,0,0]=4 2330 B9R0.55 CC(C)CCSCC(=O)N 62a_100000747473_100000210312 [0,1,0,0,0,0|3,0,0]=4 2331 B9R0.55 CC(C)CCSCC(=O)[O-] 62a_100000210312_100020667443 [0,1,0,0,0,0|2,0,1]=4 2332 B9R0.55 CC(C)CCSCC(=O)[O-] 62a_100020667443_100000210312 [0,1,0,0,0,0|2,0,1]=4 2333 B9R0.55 CC(C)CNCCC(=O)N 2230a_100000210953_100000744528 [0,1,0,0,0,0|3,0,0]=4 2334 B9R0.55 CC(C)CNCCC(=O)N 34a_100000210953_100000731001 [0,1,0,0,0,0|3,0,0]=4 2335 B9R0.55 CC(C)CNOCC(=O)O 269956a_100000106656_100000210760 [0,1,0,0,0,0|3,0,0]=4 2336 B9R0.55 CC(C)COCCC(=O)N 34a_100000210257_100000731001 [0,1,0,0,0,0|3,0,0]=4 2337 B9R0.55 CC(C)COCCC(=O)N 34a_100000757172_100000210624 [0,1,0,0,0,0|3,0,0]=4 2338 B9R0.55 CC(C)COCCC(=O)N 7a_100000757172_100000210760 [0,1,0,0,0,0|3,0,0]=4 2339 B9R0.55 CC(C)CSCCC(=O)N 62a_100000210624_100000744528 [0,1,0,0,0,0|3,0,0]=4 2340 B9R0.55 CC(C)CSCCC(=O)N 62a_100000744528_100000210760 [0,1,0,0,0,0|3,0,0]=4 2341 B9R0.55 CC(C)NCCCC(=O)N 34a_100000739312_100000210206 [0,1,0,0,0,0|3,0,0]=4 2342 B9R0.55 CC(C)NCCCC(=O)N 34a_100138425928_100102525003 [0,1,0,0,0,0|3,0,0]=4 2343 B9R0.55 CC(C)OCCCC(=O)N 34a_100000212225_100102525003 [0,1,0,0,0,0|3,0,0]=4 2344 B9R0.55 CC(C)OCNCC(=O)O 269956a_100016091260_100000709892 [0,1,0,0,0,0|3,0,0]=4 2345 B9R0.55 CC(C)SCCCC(=O)N 62a_100000210206_100102525003 [0,1,0,0,0,0|3,0,0]=4 2346 B9R0.55 CC(C)SCCCC(=O)N 62a_100102525003_100000210206 [0,1,0,0,0,0|3,0,0]=4 2347 B9R0.55 CC(F)COCCC(=O)N 34a_100015925927_100000731001 [0,1,0,0,0,0|3,0,0]=4 2348 B9R0.55 CC(O)CCNCC(=O)N 2230a_100000711301_100012276601 [0,1,0,0,0,0|3,0,0]=4 2349 B9R0.55 CC(O)CCNCC(=O)N 2230a_200000755665_100000747473 [0,1,0,0,0,0|3,0,0]=4 2350 B9R0.55 CC(O)CCNCC(=O)O 269956a_100016091260_100012276601 [0,1,0,0,0,0|2,0,0]=3 2351 B9R0.55 CC(O)CCOC[C@@H](C)N 34a_100000737577_100012276601 [0,1,0,0,0,0|2,0,1]=4 2352 B9R0.55 CC(O)CCSCC(=O)N 62a_100000747473_100012276601 [0,1,0,0,0,0|3,0,0]=4 2353 B9R0.55 CC(O)CCSCC(=O)N 62a_100012276601_100000747473 [0,1,0,0,0,0|3,0,0]=4 2354 B9R0.55 CC(O)CCSCC(=O)[O-] 62a_100012276601_100020667443 [0,1,0,0,0,0|2,0,1]=4 2355 B9R0.55 CC(O)CCSCC(=O)[O-] 62a_100020667443_100012276601 [0,1,0,0,0,0|2,0,1]=4 2356 B9R0.55 CC(O)CNCCC(=O)N 2230a_100000210904_100000744528 [0,1,0,0,0,0|3,0,0]=4 2357 B9R0.55 CC(O)CNCCC(=O)N 34a_100000210904_100000731001 [0,1,0,0,0,0|3,0,0]=4 2358 B9R0.55 CC(O)CNOCC(=O)O 269956a_100000106656_100011218427 [0,1,0,0,0,0|3,0,0]=4 2359 B9R0.55 CC(O)COCCC(=O)N 34a_100000757172_100011218427 [0,1,0,0,0,0|3,0,0]=4 2360 B9R0.55 CC(O)COCCC(=O)N 7a_100000757172_100011218427 [0,1,0,0,0,0|3,0,0]=4 2361 B9R0.55 CC(O)COCC[C@@H](C)N 34a_100000706166_100011218427 [0,1,0,0,0,0|2,0,1]=4 2362 B9R0.55 CC(O)CSCCC(=O)N 62a_100000744528_100011218427 [0,1,0,0,0,0|3,0,0]=4 2363 B9R0.55 CC(O)CSCCC(=O)N 62a_100011218427_100000744528 [0,1,0,0,0,0|3,0,0]=4 2364 B9R0.55 CN(C)CCNCC(=O)O 269956a_100016091260_100000755713 [0,1,0,0,0,0|3,0,0]=4 2365 B9R0.55 C[C@@H](Cl)COCCC(=O)N 34a_100016084084_100000731001 [0,1,0,0,0,0|3,0,0]=4 2366 B9R0.55 C[C@@H](N)CCOCC(=O)N 34a_100000706166_100000187820 [0,1,0,0,0,0|2,0,0]=3 2367 B9R0.55 C[C@@H](N)CCOCC(=O)[O-] 34a_100000706166_100020667443 [0,1,0,0,0,0|1,0,1]=3 2368 B9R0.55 C[C@@H](N)CCOC[C@@H](C)O 34a_100000706166_100009817552 [0,1,0,0,0,0|2,0,1]=4 2369 B9R0.55 C[C@@H](N)CCOC[N+](=O)[O-] 34a_100000706166_100000761209 [0,1,0,0,0,0|2,0,1]=4 2370 B9R0.55 C[C@@H](N)COCCC(=O)N 34a_100000737577_100000731001 [0,1,0,0,0,0|2,0,0]=3 2371 B9R0.55 C[C@@H](O)CNOCC(=O)O 269956a_100000106656_100009817552 [0,1,0,0,0,0|3,0,0]=4 2372 B9R0.55 C[C@@H](O)COCCC(=O)N 34a_100000757172_100009817552 [0,1,0,0,0,0|3,0,0]=4 2373 B9R0.55 C[C@@H](O)COCCC(=O)N 7a_100000757172_100009817552 [0,1,0,0,0,0|3,0,0]=4 2374 B9R0.55 C[C@@H](O)CSCCC(=O)N 62a_100000744528_100009817552 [0,1,0,0,0,0|3,0,0]=4 2375 B9R0.55 C[C@@H](O)CSCCC(=O)N 62a_100009817552_100000744528 [0,1,0,0,0,0|3,0,0]=4 2376 B9R0.55 NC(=O)CCNCC(=O)N 2230a_100000711301_100000744528 [0,1,0,0,0,0|2,0,1]=4 2377 B9R0.55 NC(=O)CCNCC(=O)O 269956a_100016091260_100000744528 [0,1,0,0,0,0|1,0,1]=3 2378 B9R0.55 NC(=O)CCNCC(F)F 34a_100000765723_100000731001 [0,1,0,0,0,0|3,0,0]=4 2379 B9R0.55 NC(=O)CCOCC(=O)N 34a_100000757172_100000187820 [0,1,0,0,0,0|2,0,1]=4 2380 B9R0.55 NC(=O)CCOCC(=O)N 7a_100000757172_100000187820 [0,1,0,0,0,0|2,0,1]=4 2381 B9R0.55 NC(=O)CCOCC(=O)[O-] 34a_100000757172_100020667443 [0,1,0,0,0,0|1,0,2]=4 2382 B9R0.55 NC(=O)CCOCC(F)F 34a_100000743014_100000731001 [0,1,0,0,0,0|3,0,0]=4 2383 B9R0.55 NC(=O)CCOCC(F)F 34a_100000757172_100011934356 [0,1,0,0,0,0|3,0,0]=4 2384 B9R0.55 NC(=O)CCOCC(F)F 7a_100000757172_100011934356 [0,1,0,0,0,0|3,0,0]=4 2385 B9R0.55 NC(=O)CCSCC(=O)N 62a_100000744528_100000747473 [0,1,0,0,0,0|2,0,1]=4 2386 B9R0.55 NC(=O)CCSCC(=O)N 62a_100000747473_100000744528 [0,1,0,0,0,0|2,0,1]=4 2387 B9R0.55 NC(=O)CCSCC(=O)[O-] 62a_100000744528_100020667443 [0,1,0,0,0,0|1,0,2]=4 2388 B9R0.55 NC(=O)CCSCC(=O)[O-] 62a_100020667443_100000744528 [0,1,0,0,0,0|1,0,2]=4 2389 B9R0.55 NC(=O)CCSCC(F)F 62a_100000744528_100011934356 [0,1,0,0,0,0|3,0,0]=4 2390 B9R0.55 NC(=O)CCSCC(F)F 62a_100011934356_100000744528 [0,1,0,0,0,0|3,0,0]=4 2391 B9R0.55 NC(=O)CNOCC(=O)O 269956a_100000106656_100000187820 [0,1,0,0,0,0|2,0,1]=4 2392 B9R0.55 NC(=O)COCCC(F)F 34a_100103093639_100000187820 [0,1,0,0,0,0|3,0,0]=4 2393 B9R0.55 O=C(O)CONCC(F)F 269956a_100000106656_100011934356 [0,1,0,0,0,0|3,0,0]=4 2394 B9R0.55 O=C([O-])COCCC(F)F 34a_100103093639_100020667443 [0,1,0,0,0,0|2,0,1]=4 2395 B9R0.55 [13CH3]C(=O)CCCN=C(N)N 1458a_100000034108_200025704644 [0,1,0,0,0,0|2,0,1]=4 2396 B9R0.55 [13CH3]C(=O)CCSCC(=O)N 1458a_100000148550_200025704644 [0,1,0,0,0,0|2,0,1]=4 2397 B9R1.2 COC1CCCC(=O)C1 34a_100012613340_200000210301 [0,0,0,1,0,0|3,0,0]=4 2398 B9R1.2 [13CH3]OC1CCCC(=O)C1 34a_100012613340_200025704644 [0,0,0,1,0,0|3,0,0]=4 2399 B9R1.6 CC(=O)C1=CCCCC1 1458a_100000765259_200000210301 [0,0,0,1,0,0|2,0,1]=4 2400 B9R1.6 CC(=O)C1C=CCCC1 1458a_100000070787_100000751183 [0,0,0,1,0,0|2,0,1]=4 2401 B9R1.6 CC(=O)C1CCCCC1 1458a_100000070787_100000210327 [0,0,0,1,0,0|2,0,0]=3 2402 B9R1.6 CC(=O)C1CCCCC1 1458a_100000210647_200000210301 [0,0,0,1,0,0|2,0,0]=3 2403 B9R1.6 CC(=O)C1CCCCO1 1458a_100000748299_200000210301 [0,0,0,1,0,0|2,0,0]=3 2404 B9R1.6 CC(=O)C1CCCOC1 1458a_100000070787_100000693364 [0,0,0,1,0,0|3,0,0]=4 2405 B9R1.6 CC(=O)C1CCCOC1 1458a_100000741522_200000210301 [0,0,0,1,0,0|3,0,0]=4 2406 B9R1.6 CC(=O)C1CCOCC1 1458a_100000070787_100011324220 [0,0,0,1,0,0|3,0,0]=4 2407 B9R1.6 CC(=O)C1CCOCC1 1458a_100000195482_200000210301 [0,0,0,1,0,0|3,0,0]=4 2408 B9R1.6 CC(=O)C1CCSCC1 1458a_100000755232_200000210301 [0,0,0,1,0,0|3,0,0]=4 2409 B9R1.6 CC(=O)C1COCCO1 1458a_100000045528_200000210301 [0,0,0,1,0,0|3,0,0]=4 2410 B9R1.6 CC(=O)C1SCCCS1 1458a_100000028545_200000210301 [0,0,0,1,0,0|3,0,0]=4 2411 B9R1.6 [13CH3]C(=O)C1=CCCCC1 1458a_100000765259_200025704644 [0,0,0,1,0,0|2,0,1]=4 2412 B9R1.6 [13CH3]C(=O)C1CCCCC1 1458a_100000210647_200025704644 [0,0,0,1,0,0|2,0,0]=3 2413 B9R1.6 [13CH3]C(=O)C1CCCCO1 1458a_100000748299_200025704644 [0,0,0,1,0,0|2,0,0]=3 2414 B9R1.6 [13CH3]C(=O)C1CCCOC1 1458a_100000741522_200025704644 [0,0,0,1,0,0|3,0,0]=4 2415 B9R1.6 [13CH3]C(=O)C1CCOCC1 1458a_100000195482_200025704644 [0,0,0,1,0,0|3,0,0]=4 2416 B9R1.6 [13CH3]C(=O)C1CCSCC1 1458a_100000755232_200025704644 [0,0,0,1,0,0|3,0,0]=4 2417 B9R1.6 [13CH3]C(=O)C1COCCO1 1458a_100000045528_200025704644 [0,0,0,1,0,0|3,0,0]=4 2418 B9R1.6 [13CH3]C(=O)C1SCCCS1 1458a_100000028545_200025704644 [0,0,0,1,0,0|3,0,0]=4 2419 B9R1.7 CCOC1CCC(=O)C1 34a_100012614533_100000210202 [0,0,0,1,0,0|3,0,0]=4 2420 B9R1.7 CCOC1COC(=O)O1 34a_100121572206_100000032252 [0,0,0,1,0,0|3,0,0]=4 2421 B9R1.7 CCSC1COC(=O)O1 62a_100000210202_100000032252 [0,0,0,1,0,0|3,0,0]=4 2422 B9R1.7 CNCC1CNC(=O)O1 2230a_106832991635_100000181169 [0,0,0,1,0,0|3,0,0]=4 2423 B9R1.7 CNCC1CNC(=O)O1 34a_100102657272_100000181169 [0,0,0,1,0,0|3,0,0]=4 2424 B9R1.7 CNCC1CNC(=O)O1 7a_106832991635_100000181169 [0,0,0,1,0,0|3,0,0]=4 2425 B9R1.7 CNCC1COC(=O)O1 34a_100102657272_100000073702 [0,0,0,1,0,0|3,0,0]=4 2426 B9R1.7 CNC[C@@H]1CCC(=O)N1 2230a_106832991635_100015189358 [0,0,0,1,0,0|3,0,0]=4 2427 B9R1.7 CNC[C@@H]1CCC(=O)N1 7a_106832991635_100015189358 [0,0,0,1,0,0|3,0,0]=4 2428 B9R1.7 CNC[C@H]1CCC(=O)N1 2230a_100015423886_200000210301 [0,0,0,1,0,0|3,0,0]=4 2429 B9R1.7 CNC[C@H]1CCC(=O)N1 34a_100015423886_200000210301 [0,0,0,1,0,0|3,0,0]=4 2430 B9R1.7 COCC1CCC(=O)N1 34a_100000737831_200000210301 [0,0,0,1,0,0|3,0,0]=4 2431 B9R1.7 COCC1CNC(=O)O1 34a_100011315639_200000210301 [0,0,0,1,0,0|3,0,0]=4 2432 B9R1.7 COCC1CNC(=O)O1 34a_100138415774_100000181169 [0,0,0,1,0,0|3,0,0]=4 2433 B9R1.7 COCC1COC(=O)O1 34a_100138415774_100000073702 [0,0,0,1,0,0|3,0,0]=4 2434 B9R1.7 CSCC1CNC(=O)O1 62a_100000181169_200000210301 [0,0,0,1,0,0|3,0,0]=4 2435 B9R1.7 CSCC1CNC(=O)O1 62a_200000210301_100000181169 [0,0,0,1,0,0|3,0,0]=4 2436 B9R1.7 CSCC1COC(=O)O1 62a_100000073702_200000210301 [0,0,0,1,0,0|3,0,0]=4 2437 B9R1.7 CSCC1COC(=O)O1 62a_200000210301_100000073702 [0,0,0,1,0,0|3,0,0]=4 2438 B9R1.7 CSC[C@@H]1CCC(=O)N1 62a_100015189358_200000210301 [0,0,0,1,0,0|3,0,0]=4 2439 B9R1.7 CSC[C@@H]1CCC(=O)N1 62a_200000210301_100015189358 [0,0,0,1,0,0|3,0,0]=4 2440 B9R1.7 O=C1CCC(C1)OCF 34a_100012614533_100015361967 [0,0,0,1,0,0|3,0,0]=4 2441 B9R1.7 O=C1OCC(O1)SCF 62a_100015361967_100000032252 [0,0,0,1,0,0|3,0,0]=4 2442 B9R1.7 [13CH3]NC[C@H]1CCC(=O)N1 2230a_100015423886_200025704644 [0,0,0,1,0,0|3,0,0]=4 2443 B9R1.7 [13CH3]NC[C@H]1CCC(=O)N1 34a_100015423886_200025704644 [0,0,0,1,0,0|3,0,0]=4 2444 B9R1.7 [13CH3]OCC1CCC(=O)N1 34a_100000737831_200025704644 [0,0,0,1,0,0|3,0,0]=4 2445 B9R1.7 [13CH3]OCC1CNC(=O)O1 34a_100011315639_200025704644 [0,0,0,1,0,0|3,0,0]=4 2446 B9R1.7 [13CH3]SCC1CNC(=O)O1 62a_100000181169_200025704644 [0,0,0,1,0,0|3,0,0]=4 2447 B9R1.7 [13CH3]SCC1CNC(=O)O1 62a_200025704644_100000181169 [0,0,0,1,0,0|3,0,0]=4 2448 B9R1.7 [13CH3]SCC1COC(=O)O1 62a_100000073702_200025704644 [0,0,0,1,0,0|3,0,0]=4 2449 B9R1.7 [13CH3]SCC1COC(=O)O1 62a_200025704644_100000073702 [0,0,0,1,0,0|3,0,0]=4 2450 B9R1.7 [13CH3]SC[C@@H]1CCC(=O)N1 62a_100015189358_200025704644 [0,0,0,1,0,0|3,0,0]=4 2451 B9R1.7 [13CH3]SC[C@@H]1CCC(=O)N1 62a_200025704644_100015189358 [0,0,0,1,0,0|3,0,0]=4 2452 B9R1.9 CCCSC1CC(=O)C1 62a_100009894365_100000210303 [0,0,0,1,0,0|3,0,0]=4 2453 B9R1.9 CCNCC1CC(=O)C1 2230a_100015525214_100009874392 [0,0,0,1,0,0|3,0,0]=4 2454 B9R1.9 CCOCC1CC(=O)C1 34a_100000101936_100000210202 [0,0,0,1,0,0|3,0,0]=4 2455 B9R1.9 CCSCC1CC(=O)C1 62a_100000210202_100009874392 [0,0,0,1,0,0|3,0,0]=4 2456 B9R1.9 CCSCC1CC(=O)C1 62a_100009874392_100000210202 [0,0,0,1,0,0|3,0,0]=4 2457 B9R1.9 O=C1CC(C1)COCF 34a_100000101936_100015361967 [0,0,0,1,0,0|3,0,0]=4 2458 B9R1.9 O=C1CC(C1)CSCF 62a_100009874392_100015361967 [0,0,0,1,0,0|3,0,0]=4 2459 B9R1.9 O=C1CC(C1)CSCF 62a_100015361967_100009874392 [0,0,0,1,0,0|3,0,0]=4 2460 B9R1.9 O=C1CC(C1)SCCF 62a_100009894365_100011217306 [0,0,0,1,0,0|3,0,0]=4 2461 B9R1.9 O=C1CC(C1)SCCO 62a_100009894365_100000211926 [0,0,0,1,0,0|3,0,0]=4 2462 B9R1.13 CC(=O)CC1=CCCC1 1458a_100000050221_200000210301 [0,0,0,1,0,0|2,0,1]=4 2463 B9R1.13 CC(=O)CC1C=CCC1 1458a_100000212241_200000210301 [0,0,0,1,0,0|2,0,1]=4 2464 B9R1.13 CC(=O)CC1CCCC1 1458a_100000070787_100000740388 [0,0,0,1,0,0|2,0,0]=3 2465 B9R1.13 CC(=O)CC1CCCC1 1458a_100000210891_200000210301 [0,0,0,1,0,0|2,0,0]=3 2466 B9R1.13 CC(=O)CC1CCCO1 1458a_100000070787_100000203698 [0,0,0,1,0,0|2,0,0]=3 2467 B9R1.13 CC(=O)CC1CCOC1 1458a_100000070787_100000702531 [0,0,0,1,0,0|3,0,0]=4 2468 B9R1.13 CC(=O)CC1CCOC1 1458a_100011218419_200000210301 [0,0,0,1,0,0|3,0,0]=4 2469 B9R1.13 CC(=O)CC1OCCO1 1458a_100000070787_100000755774 [0,0,0,1,0,0|3,0,0]=4 2470 B9R1.13 CC(=O)CN1CCCC1 1458a_100000740243_200000210301 [0,0,0,1,0,0|3,0,0]=4 2471 B9R1.13 CC(=O)NC1CCCC1 11a_100000211070_100015343762 [0,0,0,1,0,0|3,0,0]=4 2472 B9R1.13 CC(=O)NC1CCCC1 1626a_100000211070_100015343762 [0,0,0,1,0,0|3,0,0]=4 2473 B9R1.13 CC(=O)NC1CCCC1 240690a_100000211070_100015343762 [0,0,0,1,0,0|3,0,0]=4 2474 B9R1.13 CC(=O)NC1CCCC1 527a_100000211070_100103153847 [0,0,0,1,0,0|3,0,0]=4 2475 B9R1.13 NC(=O)CN1CCCC1 2230a_100000188435_100000747473 [0,0,0,1,0,0|3,0,0]=4 2476 B9R1.13 NC(=O)CN1CCCC1 269982a_100000188435_100000187820 [0,0,0,1,0,0|3,0,0]=4 2477 B9R1.13 O=C([O-])CN1CCCC1 269982a_100000188435_100020667443 [0,0,0,1,0,0|2,0,1]=4 2478 B9R1.13 [13CH3]C(=O)CC1=CCCC1 1458a_100000050221_200025704644 [0,0,0,1,0,0|2,0,1]=4 2479 B9R1.13 [13CH3]C(=O)CC1C=CCC1 1458a_100000212241_200025704644 [0,0,0,1,0,0|2,0,1]=4 2480 B9R1.13 [13CH3]C(=O)CC1CCCC1 1458a_100000210891_200025704644 [0,0,0,1,0,0|2,0,0]=3 2481 B9R1.13 [13CH3]C(=O)CC1CCOC1 1458a_100011218419_200025704644 [0,0,0,1,0,0|3,0,0]=4 2482 B9R1.13 [13CH3]C(=O)CN1CCCC1 1458a_100000740243_200025704644 [0,0,0,1,0,0|3,0,0]=4 2483 B9R1.41 CC(=O)C1CCCC1=O 1458a_100000070787_100000211823 [0,0,0,1,0,0|2,0,1]=4 2484 B9R1.41 CC(=O)C1CCCC1C 1458a_100000690547_200000210301 [0,0,0,1,0,0|2,0,0]=3 2485 B9R1.41 CC(=O)N1CCC[C@@H]1C 240690a_100020605311_100015343762 [0,0,0,1,0,0|3,0,0]=4 2486 B9R1.41 CC(=O)N1CCC[C@@H]1C 527a_100020605311_100103153847 [0,0,0,1,0,0|3,0,0]=4 2487 B9R1.41 CC(=O)N1CCC[C@H]1C 11a_100015189458_100015343762 [0,0,0,1,0,0|3,0,0]=4 2488 B9R1.41 CC(=O)N1CCC[C@H]1C 240690a_100015189458_100015343762 [0,0,0,1,0,0|3,0,0]=4 2489 B9R1.41 CC(=O)N1CCC[C@H]1C 527a_100015189458_100103153847 [0,0,0,1,0,0|3,0,0]=4 2490 B9R1.41 CC(=O)[C@@H]1CCCN1C 1458a_100009816429_200000210301 [0,0,0,1,0,0|3,0,0]=4 2491 B9R1.41 CC1CCCC1C(=O)[13CH3] 1458a_100000690547_200025704644 [0,0,0,1,0,0|2,0,0]=3 2492 B9R1.41 CN1CCC[C@H]1C(=O)N 2230a_100000003125_200000210301 [0,0,0,1,0,0|3,0,0]=4 2493 B9R1.41 CN1CCC[C@H]1C(=O)O 269956a_100000743916_200000210301 [0,0,0,1,0,0|2,0,0]=3 2494 B9R1.41 CN1CCC[C@H]1C(=O)[13CH3] 1458a_100009816429_200025704644 [0,0,0,1,0,0|3,0,0]=4 2495 B9R1.41 CN1CCSC1C(=O)O 269956a_100000035718_200000210301 [0,0,0,1,0,0|3,0,0]=4 2496 B9R1.41 CN1CSC[C@H]1C(=O)O 269956a_100000743924_200000210301 [0,0,0,1,0,0|3,0,0]=4 2497 B9R1.41 [13CH3]N1CCC[C@H]1C(=O)N 2230a_100000003125_200025704644 [0,0,0,1,0,0|3,0,0]=4 2498 B9R1.41 [13CH3]N1CCC[C@H]1C(=O)O 269956a_100000743916_200025704644 [0,0,0,1,0,0|2,0,0]=3 2499 B9R1.41 [13CH3]N1CCSC1C(=O)O 269956a_100000035718_200025704644 [0,0,0,1,0,0|3,0,0]=4 2500 B9R1.41 [13CH3]N1CSC[C@H]1C(=O)O 269956a_100000743924_200025704644 [0,0,0,1,0,0|3,0,0]=4 2501 B9R1.46 NC(=O)CN[C@@H]1C[C@@H]1F 2230a_100015190264_100000747473 [0,0,0,1,0,0|3,0,0]=4 2502 B9R1.46 NC(=O)CN[C@@H]1C[C@H]1F 2230a_100025746932_100000747473 [0,0,0,1,0,0|3,0,0]=4 2503 B9R1.46 NC(=O)CN[C@@H]1C[C@H]1F 34a_100025746932_100000187820 [0,0,0,1,0,0|3,0,0]=4 2504 B9R1.46 O=C([O-])CN[C@@H]1C[C@H]1F 34a_100025746932_100020667443 [0,0,0,1,0,0|2,0,1]=4 2505 B9R1.67 CC1CCN1CC(=O)N 269982a_100000755817_100000187820 [0,0,0,1,0,0|3,0,0]=4 2506 B9R1.67 CC1CCN1CC(=O)N 34a_100000755817_100000187820 [0,0,0,1,0,0|3,0,0]=4 2507 B9R1.67 CC1CCN1CC(=O)[O-] 269982a_100000755817_100020667443 [0,0,0,1,0,0|2,0,1]=4 2508 B9R1.67 CC1CCN1CC(=O)[O-] 34a_100000755817_100020667443 [0,0,0,1,0,0|2,0,1]=4 2509 B9R1.83 NCCCOCC1CO1 34a_100000182051_102125554688 [0,0,0,1,0,0|2,0,1]=4 2510 B9R1.83 NCCOCCC1CO1 34a_100000210304_100000732470 [0,0,0,1,0,0|2,0,1]=4 2511 B9R1.84 CC(=O)CCN1CCC1 269982a_100000754969_100000053229 [0,0,0,1,0,0|3,0,0]=4 2512 B9R1.84 CC(=O)COC1CCC1 34a_100000211253_100000749161 [0,0,0,1,0,0|3,0,0]=4 2513 B9R1.84 CC(=O)NCC1CCC1 11a_100000738700_100015343762 [0,0,0,1,0,0|3,0,0]=4 2514 B9R1.84 CC(=O)NCC1CCC1 1626a_100000738700_100015343762 [0,0,0,1,0,0|3,0,0]=4 2515 B9R1.84 CC(=O)NCC1CCC1 240690a_100000738700_100015343762 [0,0,0,1,0,0|3,0,0]=4 2516 B9R1.84 CC(=O)NCC1CCC1 527a_100000738700_100103153847 [0,0,0,1,0,0|3,0,0]=4 2517 B9R1.84 CC(=O)NC[C@@H]1CCO1 11a_100020831831_100015343762 [0,0,0,1,0,0|3,0,0]=4 2518 B9R1.84 CC(=O)NC[C@@H]1CCO1 1626a_100020831831_100015343762 [0,0,0,1,0,0|3,0,0]=4 2519 B9R1.84 CC(=O)NC[C@@H]1CCO1 240690a_100020831831_100015343762 [0,0,0,1,0,0|3,0,0]=4 2520 B9R1.84 CC(=O)NC[C@@H]1CCO1 527a_100020831831_100103153847 [0,0,0,1,0,0|3,0,0]=4 2521 B9R1.84 NC(=O)CCN1CCC1 269982a_100000754969_100000744528 [0,0,0,1,0,0|3,0,0]=4 2522 B9R1.84 NC(=O)CNC1CCC1 2230a_100000749019_100000747473 [0,0,0,1,0,0|3,0,0]=4 2523 B9R1.84 NC(=O)CNC1CCC1 34a_100000749019_100000187820 [0,0,0,1,0,0|3,0,0]=4 2524 B9R1.84 NC(=O)COC1CCC1 34a_100000748187_100000187820 [0,0,0,1,0,0|3,0,0]=4 2525 B9R1.84 NC(=O)CSC1CCC1 62a_100000747473_100000749161 [0,0,0,1,0,0|3,0,0]=4 2526 B9R1.84 O=C(O)CNC1CCC1 269956a_100016091260_100000749161 [0,0,0,1,0,0|2,0,0]=3 2527 B9R1.84 O=C(O)CNC1COC1 269956a_100016091260_100009818527 [0,0,0,1,0,0|3,0,0]=4 2528 B9R1.84 O=C([O-])CNC1CCC1 34a_100000749019_100020667443 [0,0,0,1,0,0|2,0,1]=4 2529 B9R1.84 O=C([O-])COC1CCC1 34a_100000748187_100020667443 [0,0,0,1,0,0|2,0,1]=4 2530 B9R1.84 O=C([O-])CSC1CCC1 62a_100020667443_100000749161 [0,0,0,1,0,0|2,0,1]=4 2531 B9R1.85 CC(=O)CCCC1CO1 1458a_100000070787_100000733510 [0,0,0,1,0,0|2,0,0]=3 2532 B9R1.85 CC(=O)CCOC1CC1 34a_100000759926_100000211595 [0,0,0,1,0,0|3,0,0]=4 2533 B9R1.85 CC(=O)CCSC1CC1 62a_100000053229_100000211595 [0,0,0,1,0,0|3,0,0]=4 2534 B9R1.85 CC(=O)COCC1CC1 34a_100000211253_100000742324 [0,0,0,1,0,0|3,0,0]=4 2535 B9R1.85 CC(=O)COCC1CO1 34a_100000211253_102125554688 [0,0,0,1,0,0|3,0,0]=4 2536 B9R1.85 CC(=O)CSCC1CC1 1458a_200011316215_200000210301 [0,0,0,1,0,0|3,0,0]=4 2537 B9R1.85 CC(=O)NCCC1CC1 1626a_100000764129_100015343762 [0,0,0,1,0,0|3,0,0]=4 2538 B9R1.85 CC(=O)NCCC1CC1 240690a_100000764129_100015343762 [0,0,0,1,0,0|3,0,0]=4 2539 B9R1.85 CC(=O)NCCC1CC1 527a_100000764129_100103153847 [0,0,0,1,0,0|3,0,0]=4 2540 B9R1.85 NC(=O)CCNC1CC1 34a_100000212008_100000731001 [0,0,0,1,0,0|3,0,0]=4 2541 B9R1.85 NC(=O)CCOC1CC1 34a_100000757172_100000211595 [0,0,0,1,0,0|3,0,0]=4 2542 B9R1.85 NC(=O)CCSC1CC1 62a_100000744528_100000211595 [0,0,0,1,0,0|3,0,0]=4 2543 B9R1.85 NC(=O)CNCC1CC1 2230a_100000711301_100000742324 [0,0,0,1,0,0|3,0,0]=4 2544 B9R1.85 NC(=O)CNCC1CC1 2230a_100000735609_100000747473 [0,0,0,1,0,0|3,0,0]=4 2545 B9R1.85 NC(=O)CNCC1CC1 34a_100000735609_100000187820 [0,0,0,1,0,0|3,0,0]=4 2546 B9R1.85 NC(=O)CNCC1CO1 2230a_100000711301_100011216344 [0,0,0,1,0,0|3,0,0]=4 2547 B9R1.85 NC(=O)COCC1CC1 34a_100000211283_100000187820 [0,0,0,1,0,0|3,0,0]=4 2548 B9R1.85 NC(=O)COC[C@@H]1CO1 34a_100000757423_100000187820 [0,0,0,1,0,0|3,0,0]=4 2549 B9R1.85 NC(=O)CSCC1CC1 62a_100000747473_100000742324 [0,0,0,1,0,0|3,0,0]=4 2550 B9R1.85 NC(=O)CSCC1CC1 62a_100000756562_100000747473 [0,0,0,1,0,0|3,0,0]=4 2551 B9R1.85 NC(=O)CSCC1CO1 62a_100000747473_102125554688 [0,0,0,1,0,0|3,0,0]=4 2552 B9R1.85 NC(=O)CSCC1CO1 62a_102125554688_100000747473 [0,0,0,1,0,0|3,0,0]=4 2553 B9R1.85 NC(=O)CSCC1CS1 62a_100000031435_100000747473 [0,0,0,1,0,0|3,0,0]=4 2554 B9R1.85 NC(=O)CSCC1CS1 62a_100000747473_100000031435 [0,0,0,1,0,0|3,0,0]=4 2555 B9R1.85 NC(=O)CSC[C@@H]1CO1 62a_100000745022_100000747473 [0,0,0,1,0,0|3,0,0]=4 2556 B9R1.85 NC(=O)CSC[C@@H]1CO1 62a_100000747473_100000745022 [0,0,0,1,0,0|3,0,0]=4 2557 B9R1.85 O=C(O)CNCC1CC1 269956a_100016091260_100000742324 [0,0,0,1,0,0|2,0,0]=3 2558 B9R1.85 O=C(O)CNCC1CO1 269956a_100016091260_102125554688 [0,0,0,1,0,0|2,0,0]=3 2559 B9R1.85 O=C(O)CNCC1CS1 269956a_100016091260_100000031435 [0,0,0,1,0,0|2,0,0]=3 2560 B9R1.85 O=C(O)CNC[C@@H]1CO1 269956a_100016091260_100000745022 [0,0,0,1,0,0|2,0,0]=3 2561 B9R1.85 O=C(O)CONC1CC1 269956a_100000106656_100000211595 [0,0,0,1,0,0|3,0,0]=4 2562 B9R1.85 O=C([O-])CNCC1CC1 34a_100000735609_100020667443 [0,0,0,1,0,0|2,0,1]=4 2563 B9R1.85 O=C([O-])COCC1CC1 34a_100000211283_100020667443 [0,0,0,1,0,0|2,0,1]=4 2564 B9R1.85 O=C([O-])COC[C@@H]1CO1 34a_100000757423_100020667443 [0,0,0,1,0,0|2,0,1]=4 2565 B9R1.85 O=C([O-])CSCC1CC1 62a_100000756562_100020667443 [0,0,0,1,0,0|2,0,1]=4 2566 B9R1.85 O=C([O-])CSCC1CC1 62a_100020667443_100000742324 [0,0,0,1,0,0|2,0,1]=4 2567 B9R1.85 O=C([O-])CSCC1CO1 62a_100020667443_102125554688 [0,0,0,1,0,0|2,0,1]=4 2568 B9R1.85 O=C([O-])CSCC1CO1 62a_102125554688_100020667443 [0,0,0,1,0,0|2,0,1]=4 2569 B9R1.85 O=C([O-])CSCC1CS1 62a_100000031435_100020667443 [0,0,0,1,0,0|2,0,1]=4 2570 B9R1.85 O=C([O-])CSCC1CS1 62a_100020667443_100000031435 [0,0,0,1,0,0|2,0,1]=4 2571 B9R1.85 O=C([O-])CSC[C@@H]1CO1 62a_100000745022_100020667443 [0,0,0,1,0,0|2,0,1]=4 2572 B9R1.85 O=C([O-])CSC[C@@H]1CO1 62a_100020667443_100000745022 [0,0,0,1,0,0|2,0,1]=4 2573 B9R1.85 [13CH3]C(=O)CSCC1CC1 1458a_200011316215_200025704644 [0,0,0,1,0,0|3,0,0]=4 2574 B9R1.96 CCN1CCC1C(=O)O 269956a_100000021838_100000210202 [0,0,0,1,0,0|2,0,0]=3 2575 B9R1.96 O=C(O)C1CCN1CF 269956a_100000021838_100015361967 [0,0,0,1,0,0|2,0,0]=3 2576 B6R0.6 C=CCCCNC 2230a_100000700776_200000210301 [2,0,0,0,0,0|2,0,0]=4 2577 B6R0.6 C=CCCCNC 2230a_106832991635_100011713584 [2,0,0,0,0,0|2,0,0]=4 2578 B6R0.6 C=CCCCNC 34a_100000700776_200000210301 [2,0,0,0,0,0|2,0,0]=4 2579 B6R0.6 C=CCCCNC 34a_100102657272_100000757094 [2,0,0,0,0,0|2,0,0]=4 2580 B6R0.6 C=CCCCNC 7a_106832991635_100000757094 [2,0,0,0,0,0|2,0,0]=4 2581 B6R0.6 C=CCCCN[13CH3] 2230a_100000700776_200025704644 [2,0,0,0,0,0|2,0,0]=4 2582 B6R0.6 C=CCCCN[13CH3] 34a_100000700776_200025704644 [2,0,0,0,0,0|2,0,0]=4 2583 B6R0.6 C=CCCCOC 34a_100000758997_200000210301 [2,0,0,0,0,0|2,0,0]=4 2584 B6R0.6 C=CCCCOC 34a_100138415774_100000757094 [2,0,0,0,0,0|2,0,0]=4 2585 B6R0.6 C=CCCCOC 7a_100000758997_200000210301 [2,0,0,0,0,0|2,0,0]=4 2586 B6R0.6 C=CCCCO[13CH3] 34a_100000758997_200025704644 [2,0,0,0,0,0|2,0,0]=4 2587 B6R0.6 C=CCCCO[13CH3] 7a_100000758997_200025704644 [2,0,0,0,0,0|2,0,0]=4 2588 B6R0.6 C=CCCCSC 62a_100011713584_200000210301 [2,0,0,0,0,0|2,0,0]=4 2589 B6R0.6 C=CCCCSC 62a_200000210301_100000757094 [2,0,0,0,0,0|2,0,0]=4 2590 B6R0.6 C=CCCCS[13CH3] 62a_100011713584_200025704644 [2,0,0,0,0,0|2,0,0]=4 2591 B6R0.6 C=CCCCS[13CH3] 62a_200025704644_100000757094 [2,0,0,0,0,0|2,0,0]=4 2592 B6R0.6 C=CCCNCC 2230a_100015191253_100000210202 [2,0,0,0,0,0|2,0,0]=4 2593 B6R0.6 C=CCCNCC 2230a_100015525214_100000754431 [2,0,0,0,0,0|2,0,0]=4 2594 B6R0.6 C=CCCOCC 34a_100011205117_100000210202 [2,0,0,0,0,0|2,0,0]=4 2595 B6R0.6 C=CCCOCC 34a_100121572206_100000754431 [2,0,0,0,0,0|2,0,0]=4 2596 B6R0.6 C=CCCSCC 62a_100000210202_100000754431 [2,0,0,0,0,0|2,0,0]=4 2597 B6R0.6 C=CCCSCC 62a_100000754431_100000210202 [2,0,0,0,0,0|2,0,0]=4 2598 B6R0.6 C=CCNCCC 2230a_100020586998_100000210303 [2,0,0,0,0,0|2,0,0]=4 2599 B6R0.6 C=CCOCCC 34a_100000210258_100015514636 [2,0,0,0,0,0|2,0,0]=4 2600 B6R0.6 C=CCOCCC 34a_200000210373_100000210303 [2,0,0,0,0,0|2,0,0]=4 2601 B6R0.6 C=CCOCCN 34a_100000210304_100015514636 [2,0,0,0,0,0|1,0,1]=4 2602 B6R0.6 C=CCSCCC 62a_100000210303_100000210623 [2,0,0,0,0,0|2,0,0]=4 2603 B6R0.6 C=CCSCCC 62a_100000210623_100000210303 [2,0,0,0,0,0|2,0,0]=4 2604 B6R0.6 CCCCCNC 2230a_100000209983_200000210301 [2,0,0,0,0,0|2,0,0]=4 2605 B6R0.6 CCCCCNC 2230a_106832991635_100000210326 [2,0,0,0,0,0|2,0,0]=4 2606 B6R0.6 CCCCCNC 34a_100102657272_100000718602 [2,0,0,0,0,0|2,0,0]=4 2607 B6R0.6 CCCCCNC 7a_106832991635_100000210326 [2,0,0,0,0,0|2,0,0]=4 2608 B6R0.6 CCCCCN[13CH3] 2230a_100000209983_200025704644 [2,0,0,0,0,0|2,0,0]=4 2609 B6R0.6 CCCCCOC 34a_100000210253_200000210301 [2,0,0,0,0,0|2,0,0]=4 2610 B6R0.6 CCCCCOC 34a_100138415774_100000718602 [2,0,0,0,0,0|2,0,0]=4 2611 B6R0.6 CCCCCOC 7a_100000210253_200000210301 [2,0,0,0,0,0|2,0,0]=4 2612 B6R0.6 CCCCCO[13CH3] 34a_100000210253_200025704644 [2,0,0,0,0,0|2,0,0]=4 2613 B6R0.6 CCCCCO[13CH3] 7a_100000210253_200025704644 [2,0,0,0,0,0|2,0,0]=4 2614 B6R0.6 CCCCCSC 62a_100000210326_200000210301 [2,0,0,0,0,0|2,0,0]=4 2615 B6R0.6 CCCCCSC 62a_200000210301_100000210326 [2,0,0,0,0,0|2,0,0]=4 2616 B6R0.6 CCCCCS[13CH3] 62a_100000210326_200025704644 [2,0,0,0,0,0|2,0,0]=4 2617 B6R0.6 CCCCCS[13CH3] 62a_200025704644_100000210326 [2,0,0,0,0,0|2,0,0]=4 2618 B6R0.6 CCCNCCO 2230a_100016997473_100000210303 [2,0,0,0,0,0|1,0,1]=4 2619 B6R0.6 CCCNCCO 34a_100016990907_100000210303 [2,0,0,0,0,0|1,0,1]=4 2620 B6R0.6 CCCOCC=O 34a_100000210258_200009817547 [2,0,0,0,0,0|1,0,0]=3 2621 B6R0.6 CCCOCCN 34a_100000210304_100000210303 [2,0,0,0,0,0|1,0,1]=4 2622 B6R0.6 CCCOCCO 34a_100000210258_100000211926 [2,0,0,0,0,0|1,0,1]=4 2623 B6R0.6 CCCSCC=O 62a_100000210303_200015260668 [2,0,0,0,0,0|1,0,0]=3 2624 B6R0.6 CCCSCC=O 62a_200015260668_100000210303 [2,0,0,0,0,0|1,0,0]=3 2625 B6R0.6 CCCSCCO 62a_100000210303_100000211926 [2,0,0,0,0,0|1,0,1]=4 2626 B6R0.6 CCCSCCO 62a_100000211926_100000210303 [2,0,0,0,0,0|1,0,1]=4 2627 B6R0.6 CCNCCCO 2230a_100015525214_100000230001 [2,0,0,0,0,0|1,0,1]=4 2628 B6R0.6 CCOCCCN 34a_100000182051_100000210202 [2,0,0,0,0,0|1,0,1]=4 2629 B6R0.6 CCOCCCO 34a_100121572206_100000230001 [2,0,0,0,0,0|1,0,1]=4 2630 B6R0.6 CCSCCCO 62a_100000210202_100011215043 [2,0,0,0,0,0|1,0,1]=4 2631 B6R0.6 CCSCCCO 62a_100011215043_100000210202 [2,0,0,0,0,0|1,0,1]=4 2632 B6R0.6 CNCCCC=O 2230a_106832991635_200011292268 [2,0,0,0,0,0|1,0,0]=3 2633 B6R0.6 CNCCCC=O 7a_106832991635_200011292268 [2,0,0,0,0,0|1,0,0]=3 2634 B6R0.6 CNCCCCO 2230a_100000750430_200000210301 [2,0,0,0,0,0|1,0,1]=4 2635 B6R0.6 CNCCCCO 2230a_106832991635_100000210776 [2,0,0,0,0,0|1,0,1]=4 2636 B6R0.6 CNCCCCO 34a_100000750430_200000210301 [2,0,0,0,0,0|1,0,1]=4 2637 B6R0.6 CNCCCCO 34a_100102657272_100011216708 [2,0,0,0,0,0|1,0,1]=4 2638 B6R0.6 CNCCCCO 7a_106832991635_100000210776 [2,0,0,0,0,0|1,0,1]=4 2639 B6R0.6 COCCCCN 34a_100000750430_200000210301 [2,0,0,0,0,0|1,0,1]=4 2640 B6R0.6 COCCCCO 34a_100138415774_100011216708 [2,0,0,0,0,0|1,0,1]=4 2641 B6R0.6 COCSCC=O 62a_100000766300_200015260668 [2,0,0,0,0,0|2,0,0]=4 2642 B6R0.6 COCSCC=O 62a_200015260668_100000766300 [2,0,0,0,0,0|2,0,0]=4 2643 B6R0.6 CSCCCC=O 62a_200000210301_200011292268 [2,0,0,0,0,0|1,0,0]=3 2644 B6R0.6 CSCCCC=O 62a_200011292268_200000210301 [2,0,0,0,0,0|1,0,0]=3 2645 B6R0.6 CSCCCCO 62a_100000210776_200000210301 [2,0,0,0,0,0|1,0,1]=4 2646 B6R0.6 CSCCCCO 62a_200000210301_100000210776 [2,0,0,0,0,0|1,0,1]=4 2647 B6R0.6 CSCSCC=O 62a_100011218213_200015260668 [2,0,0,0,0,0|2,0,0]=4 2648 B6R0.6 CSCSCC=O 62a_200015260668_100011218213 [2,0,0,0,0,0|2,0,0]=4 2649 B6R0.6 NCCCOCF 34a_100000182051_100015361967 [2,0,0,0,0,0|2,0,0]=4 2650 B6R0.6 NCCOCC=O 34a_100000210304_200009817547 [2,0,0,0,0,0|1,0,0]=3 2651 B6R0.6 NCCOCCF 34a_100000210304_100011217306 [2,0,0,0,0,0|2,0,0]=4 2652 B6R0.6 NCCOCCO 34a_100000210304_100000211926 [2,0,0,0,0,0|1,0,0]=3 2653 B6R0.6 O=CCNCCF 34a_100000724931_200009817547 [2,0,0,0,0,0|2,0,0]=4 2654 B6R0.6 O=CCNCCO 2230a_100016997473_200015260668 [2,0,0,0,0,0|2,0,0]=4 2655 B6R0.6 O=CCNCCO 34a_100016990907_200009817547 [2,0,0,0,0,0|2,0,0]=4 2656 B6R0.6 O=CCOCCBr 34a_100000211926_200009817547 [2,0,0,0,0,0|2,0,0]=4 2657 B6R0.6 O=CCSCCF 62a_100011217306_200015260668 [2,0,0,0,0,0|2,0,0]=4 2658 B6R0.6 O=CCSCCF 62a_200015260668_100011217306 [2,0,0,0,0,0|2,0,0]=4 2659 B6R0.6 O=CCSCCO 62a_100000211926_200015260668 [2,0,0,0,0,0|2,0,0]=4 2660 B6R0.6 O=CCSCCO 62a_200015260668_100000211926 [2,0,0,0,0,0|2,0,0]=4 2661 B6R0.6 OCCCSCF 62a_100011215043_100015361967 [2,0,0,0,0,0|2,0,0]=4 2662 B6R0.6 OCCCSCF 62a_100015361967_100011215043 [2,0,0,0,0,0|2,0,0]=4 2663 B6R0.6 OCCNCCF 2230a_100016997473_100011217306 [2,0,0,0,0,0|2,0,0]=4 2664 B6R0.6 OCCNCCF 34a_100000724931_100000211926 [2,0,0,0,0,0|2,0,0]=4 2665 B6R0.6 OCCNCCF 34a_100016990907_100011217306 [2,0,0,0,0,0|2,0,0]=4 2666 B6R0.6 OCCNCCO 2230a_100016997473_100000211926 [2,0,0,0,0,0|2,0,0]=4 2667 B6R0.6 OCCNCCO 34a_100016990907_100000211926 [2,0,0,0,0,0|2,0,0]=4 2668 B6R0.6 OCCOCCBr 34a_100000211926_100000211926 [2,0,0,0,0,0|2,0,0]=4 2669 B6R0.6 OCCSCCF 62a_100000211926_100011217306 [2,0,0,0,0,0|2,0,0]=4 2670 B6R0.6 OCCSCCF 62a_100011217306_100000211926 [2,0,0,0,0,0|2,0,0]=4 2671 B6R0.6 OCCSCCO 62a_100000211926_100000211926 [2,0,0,0,0,0|2,0,0]=4 2672 B6R0.6 [13CH3]NCCCCO 2230a_100000750430_200025704644 [2,0,0,0,0,0|1,0,1]=4 2673 B6R0.6 [13CH3]NCCCCO 34a_100000750430_200025704644 [2,0,0,0,0,0|1,0,1]=4 2674 B6R0.6 [13CH3]OCCCCN 34a_100000750430_200025704644 [2,0,0,0,0,0|1,0,1]=4 2675 B6R0.6 [13CH3]SCCCC=O 62a_200011292268_200025704644 [2,0,0,0,0,0|1,0,0]=3 2676 B6R0.6 [13CH3]SCCCC=O 62a_200025704644_200011292268 [2,0,0,0,0,0|1,0,0]=3 2677 B6R0.6 [13CH3]SCCCCO 62a_100000210776_200025704644 [2,0,0,0,0,0|1,0,1]=4 2678 B6R0.6 [13CH3]SCCCCO 62a_200025704644_100000210776 [2,0,0,0,0,0|1,0,1]=4 2679 B6R0.4 CC(=O)CCCF 1458a_100000070787_100011934791 [2,0,0,0,0,0|2,0,0]=4 2680 B6R0.4 CC(=O)CCCO 1458a_100000070787_100011215043 [2,0,0,0,0,0|2,0,0]=4 2681 B6R0.4 CC(=O)CCO[13CH3] 34a_100000759926_200025704644 [2,0,0,0,0,0|2,0,0]=4 2682 B6R0.4 CC(=O)CCO[13CH3] 7a_100000759926_200025704644 [2,0,0,0,0,0|2,0,0]=4 2683 B6R0.4 CC(=O)CCS[13CH3] 62a_100000053229_200025704644 [2,0,0,0,0,0|2,0,0]=4 2684 B6R0.4 CC(=O)CCS[13CH3] 62a_200025704644_100000053229 [2,0,0,0,0,0|2,0,0]=4 2685 B6R0.4 CCCCC(=O)C 1458a_100000070787_100000210211 [2,0,0,0,0,0|1,0,0]=3 2686 B6R0.4 CCCCC(=O)C 1458a_100000210183_200000210301 [2,0,0,0,0,0|1,0,0]=3 2687 B6R0.4 CCCCC(=O)[13CH3] 1458a_100000210183_200025704644 [2,0,0,0,0,0|1,0,0]=3 2688 B6R0.4 CCCNC(=O)C 11a_100020643023_100015343762 [2,0,0,0,0,0|2,0,0]=4 2689 B6R0.4 CCCNC(=O)C 1626a_100020643023_100015343762 [2,0,0,0,0,0|2,0,0]=4 2690 B6R0.4 CCCNC(=O)C 240690a_100020643023_100015343762 [2,0,0,0,0,0|2,0,0]=4 2691 B6R0.4 CCCNC(=O)C 527a_100020643023_100103153847 [2,0,0,0,0,0|2,0,0]=4 2692 B6R0.4 CCNCC(=O)N 2230a_100000711301_100000210202 [2,0,0,0,0,0|2,0,0]=4 2693 B6R0.4 CCNCC(=O)N 2230a_100015525214_100000747473 [2,0,0,0,0,0|2,0,0]=4 2694 B6R0.4 CCNCC(=O)O 269956a_100016091260_100000210202 [2,0,0,0,0,0|1,0,0]=3 2695 B6R0.4 CCOCC(=O)C 1458a_100000211967_200000210301 [2,0,0,0,0,0|2,0,0]=4 2696 B6R0.4 CCOCC(=O)C 34a_100000211253_100000210202 [2,0,0,0,0,0|2,0,0]=4 2697 B6R0.4 CCOCC(=O)N 34a_100121572206_100000187820 [2,0,0,0,0,0|2,0,0]=4 2698 B6R0.4 CCOCC(=O)[13CH3] 1458a_100000211967_200025704644 [2,0,0,0,0,0|2,0,0]=4 2699 B6R0.4 CCOCC(=O)[O-] 34a_100121572206_100020667443 [2,0,0,0,0,0|1,0,1]=4 2700 B6R0.4 CCSCC(=O)C 1458a_100000230394_200000210301 [2,0,0,0,0,0|2,0,0]=4 2701 B6R0.4 CCSCC(=O)N 62a_100000210202_100000747473 [2,0,0,0,0,0|2,0,0]=4 2702 B6R0.4 CCSCC(=O)N 62a_100000747473_100000210202 [2,0,0,0,0,0|2,0,0]=4 2703 B6R0.4 CCSCC(=O)[13CH3] 1458a_100000230394_200025704644 [2,0,0,0,0,0|2,0,0]=4 2704 B6R0.4 CCSCC(=O)[O-] 62a_100000210202_100020667443 [2,0,0,0,0,0|1,0,1]=4 2705 B6R0.4 CCSCC(=O)[O-] 62a_100020667443_100000210202 [2,0,0,0,0,0|1,0,1]=4 2706 B6R0.4 CNCCC(=O)C 7a_106832991635_100000053229 [2,0,0,0,0,0|2,0,0]=4 2707 B6R0.4 CNCCC(=O)N 2230a_106832991635_100000744528 [2,0,0,0,0,0|2,0,0]=4 2708 B6R0.4 CNCCC(=O)N 34a_100102657272_100000731001 [2,0,0,0,0,0|2,0,0]=4 2709 B6R0.4 CNCCC(=O)N 7a_106832991635_100000744528 [2,0,0,0,0,0|2,0,0]=4 2710 B6R0.4 CNOCC(=O)O 269956a_100000106656_200000210301 [2,0,0,0,0,0|2,0,0]=4 2711 B6R0.4 COCCC(=O)C 1458a_100000070787_100000233755 [2,0,0,0,0,0|2,0,0]=4 2712 B6R0.4 COCCC(=O)C 1458a_100000749529_200000210301 [2,0,0,0,0,0|2,0,0]=4 2713 B6R0.4 COCCC(=O)C 34a_100000759926_200000210301 [2,0,0,0,0,0|2,0,0]=4 2714 B6R0.4 COCCC(=O)C 7a_100000759926_200000210301 [2,0,0,0,0,0|2,0,0]=4 2715 B6R0.4 COCCC(=O)N 34a_100000757172_200000210301 [2,0,0,0,0,0|2,0,0]=4 2716 B6R0.4 COCCC(=O)N 34a_100138415774_100000731001 [2,0,0,0,0,0|2,0,0]=4 2717 B6R0.4 COCCC(=O)N 7a_100000757172_200000210301 [2,0,0,0,0,0|2,0,0]=4 2718 B6R0.4 COCCC(=O)[13CH3] 1458a_100000749529_200025704644 [2,0,0,0,0,0|2,0,0]=4 2719 B6R0.4 CSCCC(=O)C 1458a_100000070787_100000751147 [2,0,0,0,0,0|2,0,0]=4 2720 B6R0.4 CSCCC(=O)C 1458a_100000174002_200000210301 [2,0,0,0,0,0|2,0,0]=4 2721 B6R0.4 CSCCC(=O)C 62a_100000053229_200000210301 [2,0,0,0,0,0|2,0,0]=4 2722 B6R0.4 CSCCC(=O)C 62a_200000210301_100000053229 [2,0,0,0,0,0|2,0,0]=4 2723 B6R0.4 CSCCC(=O)N 62a_100000744528_200000210301 [2,0,0,0,0,0|2,0,0]=4 2724 B6R0.4 CSCCC(=O)N 62a_200000210301_100000744528 [2,0,0,0,0,0|2,0,0]=4 2725 B6R0.4 CSCCC(=O)[13CH3] 1458a_100000174002_200025704644 [2,0,0,0,0,0|2,0,0]=4 2726 B6R0.4 O=C(O)CNCF 269956a_100016091260_100015361967 [2,0,0,0,0,0|2,0,0]=4 2727 B6R0.4 [13CH3]NOCC(=O)O 269956a_100000106656_200025704644 [2,0,0,0,0,0|2,0,0]=4 2728 B6R0.4 [13CH3]OCCC(=O)N 34a_100000757172_200025704644 [2,0,0,0,0,0|2,0,0]=4 2729 B6R0.4 [13CH3]OCCC(=O)N 7a_100000757172_200025704644 [2,0,0,0,0,0|2,0,0]=4 2730 B6R0.4 [13CH3]SCCC(=O)N 62a_100000744528_200025704644 [2,0,0,0,0,0|2,0,0]=4 2731 B6R0.4 [13CH3]SCCC(=O)N 62a_200025704644_100000744528 [2,0,0,0,0,0|2,0,0]=4 2732 B8R0.1 CC(CCBr)OCC=O 34a_100012276601_200009817547 [1,1,0,0,0,0|2,0,0]=4 2733 B8R0.1 CC(CCO)OCCN 34a_100000210304_100009893172 [1,1,0,0,0,0|1,0,1]=4 2734 B8R0.1 CC(CCO)SCC=O 62a_100009893172_200015260668 [1,1,0,0,0,0|2,0,0]=4 2735 B8R0.1 CC(CCO)SCC=O 62a_200015260668_100009893172 [1,1,0,0,0,0|2,0,0]=4 2736 B8R0.1 CCCC(C)NCC=O 2230a_100000741246_200015260668 [1,1,0,0,0,0|2,0,0]=4 2737 B8R0.1 CCCC(C)OCC=O 34a_100000764384_200009817547 [1,1,0,0,0,0|2,0,0]=4 2738 B8R0.1 CCCC(C)OCC=O 7a_100000764384_200015260668 [1,1,0,0,0,0|2,0,0]=4 2739 B8R0.1 CCCC(C)SCC=O 62a_100000766640_200015260668 [1,1,0,0,0,0|2,0,0]=4 2740 B8R0.1 CCCC(C)SCC=O 62a_200015260668_100000766640 [1,1,0,0,0,0|2,0,0]=4 2741 B8R0.1 CCCCN(C)CC=O 2230a_100000207549_200015260668 [1,1,0,0,0,0|2,0,0]=4 2742 B8R0.1 CCCCN(C)CC=O 269982a_100000207549_200015260668 [1,1,0,0,0,0|2,0,0]=4 2743 B8R0.1 CN(CC=O)CCCO 2230a_100000213112_200015260668 [1,1,0,0,0,0|2,0,0]=4 2744 B8R0.1 CN(CC=O)CCCO 269982a_100000213112_200015260668 [1,1,0,0,0,0|2,0,0]=4 2745 B8R0.1 C[C@H](CCO)NCC=O 2230a_100000706166_200015260668 [1,1,0,0,0,0|2,0,0]=4 2746 B8R0.1 C[C@H](CCO)NCC=O 34a_100000706166_200009817547 [1,1,0,0,0,0|2,0,0]=4 2747 B8R0.4 C#CCCCCCNC 2230a_106832991635_100012094781 [1,1,0,0,0,0|1,0,1]=4 2748 B8R0.4 C#CCCCCCNC 34a_100102657272_100012094781 [1,1,0,0,0,0|1,0,1]=4 2749 B8R0.4 C#CCCCCCNC 7a_106832991635_100012094781 [1,1,0,0,0,0|1,0,1]=4 2750 B8R0.4 C#CCCCNCC=O 34a_100000718082_200009817547 [1,1,0,0,0,0|1,0,1]=4 2751 B8R0.4 C#CCCCOCC=O 34a_100000215630_200009817547 [1,1,0,0,0,0|1,0,1]=4 2752 B8R0.4 C#CCCCOCC=O 7a_100000215630_200015260668 [1,1,0,0,0,0|1,0,1]=4 2753 B8R0.4 C#CCCCOCCN 34a_100000210304_100000695029 [1,1,0,0,0,0|1,0,1]=4 2754 B8R0.4 C#CCCCSCC=O 62a_100011215417_200015260668 [1,1,0,0,0,0|1,0,1]=4 2755 B8R0.4 C#CCCCSCC=O 62a_200015260668_100011215417 [1,1,0,0,0,0|1,0,1]=4 2756 B8R0.4 C#CCCOCCCN 34a_100000182051_100000688953 [1,1,0,0,0,0|1,0,1]=4 2757 B8R0.4 C#CCOCCCCN 34a_100000750430_100000184674 [1,1,0,0,0,0|1,0,1]=4 2758 B8R0.4 C#CCSCCCC=O 62a_100000038162_200011292268 [1,1,0,0,0,0|1,0,1]=4 2759 B8R0.4 C/C=C/COCCCN 34a_100000182051_100102629194 [1,1,0,0,0,0|1,0,1]=4 2760 B8R0.4 C=CCCCCCNC 2230a_106832991635_100000700193 [1,1,0,0,0,0|1,0,0]=3 2761 B8R0.4 C=CCCCCCNC 34a_100102657272_100000700193 [1,1,0,0,0,0|1,0,0]=3 2762 B8R0.4 C=CCCCCCNC 7a_106832991635_100000700193 [1,1,0,0,0,0|1,0,0]=3 2763 B8R0.4 C=CCCCCCOC 34a_100011216702_200000210301 [1,1,0,0,0,0|2,0,0]=4 2764 B8R0.4 C=CCCCCCOC 34a_100138415774_100000700193 [1,1,0,0,0,0|2,0,0]=4 2765 B8R0.4 C=CCCCCCOC 7a_100011216702_200000210301 [1,1,0,0,0,0|2,0,0]=4 2766 B8R0.4 C=CCCCCCO[13CH3] 34a_100011216702_200025704644 [1,1,0,0,0,0|2,0,0]=4 2767 B8R0.4 C=CCCCCCO[13CH3] 7a_100011216702_200025704644 [1,1,0,0,0,0|2,0,0]=4 2768 B8R0.4 C=CCCCCCSC 62a_100000700193_200000210301 [1,1,0,0,0,0|2,0,0]=4 2769 B8R0.4 C=CCCCCCSC 62a_200000210301_100000700193 [1,1,0,0,0,0|2,0,0]=4 2770 B8R0.4 C=CCCCCCS[13CH3] 62a_100000700193_200025704644 [1,1,0,0,0,0|2,0,0]=4 2771 B8R0.4 C=CCCCCCS[13CH3] 62a_200025704644_100000700193 [1,1,0,0,0,0|2,0,0]=4 2772 B8R0.4 C=CCCCCNCC 2230a_100000703577_100000210202 [1,1,0,0,0,0|2,0,0]=4 2773 B8R0.4 C=CCCCCNCC 2230a_100015525214_100011215482 [1,1,0,0,0,0|2,0,0]=4 2774 B8R0.4 C=CCCCCNCC 34a_100000703577_100000210202 [1,1,0,0,0,0|2,0,0]=4 2775 B8R0.4 C=CCCCCNCF 34a_100000703577_100015361967 [1,1,0,0,0,0|2,0,0]=4 2776 B8R0.4 C=CCCCCOCC 34a_100000766645_100000210202 [1,1,0,0,0,0|2,0,0]=4 2777 B8R0.4 C=CCCCCOCC 34a_100121572206_100011215482 [1,1,0,0,0,0|2,0,0]=4 2778 B8R0.4 C=CCCCCOCC 7a_100000766645_100000210202 [1,1,0,0,0,0|2,0,0]=4 2779 B8R0.4 C=CCCCCOCF 34a_100000766645_100015361967 [1,1,0,0,0,0|2,0,0]=4 2780 B8R0.4 C=CCCCCOCF 7a_100000766645_100015361967 [1,1,0,0,0,0|2,0,0]=4 2781 B8R0.4 C=CCCCCSCC 62a_100000210202_100011215482 [1,1,0,0,0,0|2,0,0]=4 2782 B8R0.4 C=CCCCCSCC 62a_100011215482_100000210202 [1,1,0,0,0,0|2,0,0]=4 2783 B8R0.4 C=CCCCCSCF 62a_100011215482_100015361967 [1,1,0,0,0,0|2,0,0]=4 2784 B8R0.4 C=CCCCCSCF 62a_100015361967_100011215482 [1,1,0,0,0,0|2,0,0]=4 2785 B8R0.4 C=CCCCNCC=O 2230a_100000700776_200015260668 [1,1,0,0,0,0|1,0,1]=4 2786 B8R0.4 C=CCCCNCC=O 34a_100000700776_200009817547 [1,1,0,0,0,0|1,0,1]=4 2787 B8R0.4 C=CCCCNCCC 2230a_100000700776_100000210303 [1,1,0,0,0,0|2,0,0]=4 2788 B8R0.4 C=CCCCNCCC 34a_100000700776_100000210303 [1,1,0,0,0,0|2,0,0]=4 2789 B8R0.4 C=CCCCNCCF 2230a_100000700776_100011217306 [1,1,0,0,0,0|2,0,0]=4 2790 B8R0.4 C=CCCCNCCF 34a_100000700776_100011217306 [1,1,0,0,0,0|2,0,0]=4 2791 B8R0.4 C=CCCCNCCF 34a_100000724931_100000757094 [1,1,0,0,0,0|2,0,0]=4 2792 B8R0.4 C=CCCCNCCO 2230a_100000700776_100000211926 [1,1,0,0,0,0|2,0,0]=4 2793 B8R0.4 C=CCCCNCCO 2230a_100016997473_100011713584 [1,1,0,0,0,0|2,0,0]=4 2794 B8R0.4 C=CCCCNCCO 34a_100000700776_100000211926 [1,1,0,0,0,0|2,0,0]=4 2795 B8R0.4 C=CCCCNCCO 34a_100016990907_100000757094 [1,1,0,0,0,0|2,0,0]=4 2796 B8R0.4 C=CCCCOCC=O 34a_100000758997_200009817547 [1,1,0,0,0,0|1,0,1]=4 2797 B8R0.4 C=CCCCOCC=O 7a_100000758997_200015260668 [1,1,0,0,0,0|1,0,1]=4 2798 B8R0.4 C=CCCCOCCBr 34a_100000211926_100000757094 [1,1,0,0,0,0|2,0,0]=4 2799 B8R0.4 C=CCCCOCCC 34a_100000210258_100000757094 [1,1,0,0,0,0|2,0,0]=4 2800 B8R0.4 C=CCCCOCCC 34a_100000758997_100000210303 [1,1,0,0,0,0|2,0,0]=4 2801 B8R0.4 C=CCCCOCCC 7a_100000758997_100000210303 [1,1,0,0,0,0|2,0,0]=4 2802 B8R0.4 C=CCCCOCCF 34a_100000758997_100011217306 [1,1,0,0,0,0|2,0,0]=4 2803 B8R0.4 C=CCCCOCCF 7a_100000758997_100011217306 [1,1,0,0,0,0|2,0,0]=4 2804 B8R0.4 C=CCCCOCCN 34a_100000210304_100000757094 [1,1,0,0,0,0|1,0,0]=3 2805 B8R0.4 C=CCCCOCCO 34a_100000758997_100000211926 [1,1,0,0,0,0|2,0,0]=4 2806 B8R0.4 C=CCCCOCCO 7a_100000758997_100000211926 [1,1,0,0,0,0|2,0,0]=4 2807 B8R0.4 C=CCCCSCC=O 62a_100011713584_200015260668 [1,1,0,0,0,0|1,0,1]=4 2808 B8R0.4 C=CCCCSCC=O 62a_200015260668_100000757094 [1,1,0,0,0,0|1,0,1]=4 2809 B8R0.4 C=CCCCSCCC 62a_100000210303_100000757094 [1,1,0,0,0,0|2,0,0]=4 2810 B8R0.4 C=CCCCSCCC 62a_100011713584_100000210303 [1,1,0,0,0,0|2,0,0]=4 2811 B8R0.4 C=CCCCSCCF 62a_100011217306_100000757094 [1,1,0,0,0,0|2,0,0]=4 2812 B8R0.4 C=CCCCSCCF 62a_100011713584_100011217306 [1,1,0,0,0,0|2,0,0]=4 2813 B8R0.4 C=CCCCSCCO 62a_100000211926_100000757094 [1,1,0,0,0,0|2,0,0]=4 2814 B8R0.4 C=CCCCSCCO 62a_100011713584_100000211926 [1,1,0,0,0,0|2,0,0]=4 2815 B8R0.4 C=CCCNCCCC 2230a_100000102301_100000754431 [1,1,0,0,0,0|2,0,0]=4 2816 B8R0.4 C=CCCNCCCC 2230a_100015191253_100000210211 [1,1,0,0,0,0|2,0,0]=4 2817 B8R0.4 C=CCCNCCCC 7a_106832991798_100000754431 [1,1,0,0,0,0|2,0,0]=4 2818 B8R0.4 C=CCCNCCCF 2230a_100015189416_100000754431 [1,1,0,0,0,0|2,0,0]=4 2819 B8R0.4 C=CCCNCCCF 2230a_100015191253_100011934791 [1,1,0,0,0,0|2,0,0]=4 2820 B8R0.4 C=CCCNCCCF 34a_100015189416_100000754431 [1,1,0,0,0,0|2,0,0]=4 2821 B8R0.4 C=CCCNCCCO 2230a_100015191253_100000230001 [1,1,0,0,0,0|2,0,0]=4 2822 B8R0.4 C=CCCOCCCBr 34a_100011217188_100000754431 [1,1,0,0,0,0|2,0,0]=4 2823 B8R0.4 C=CCCOCCCC 34a_100000210227_100000754431 [1,1,0,0,0,0|2,0,0]=4 2824 B8R0.4 C=CCCOCCCC 34a_100011205117_100000210210 [1,1,0,0,0,0|2,0,0]=4 2825 B8R0.4 C=CCCOCCCC 7a_100000210227_100000754431 [1,1,0,0,0,0|2,0,0]=4 2826 B8R0.4 C=CCCOCCCCl 34a_100000230001_100000754431 [1,1,0,0,0,0|2,0,0]=4 2827 B8R0.4 C=CCCOCCCF 34a_100000759539_100000754431 [1,1,0,0,0,0|2,0,0]=4 2828 B8R0.4 C=CCCOCCCF 34a_100011205117_100011934791 [1,1,0,0,0,0|2,0,0]=4 2829 B8R0.4 C=CCCOCCCN 34a_100000182051_100000754431 [1,1,0,0,0,0|1,0,0]=3 2830 B8R0.4 C=CCCOCCCO 34a_100011205117_100000230001 [1,1,0,0,0,0|2,0,0]=4 2831 B8R0.4 C=CCCOCCON 34a_100000700252_100000754431 [1,1,0,0,0,0|2,0,0]=4 2832 B8R0.4 C=CCCSCCCC 62a_100000210211_100000754431 [1,1,0,0,0,0|2,0,0]=4 2833 B8R0.4 C=CCCSCCCC 62a_100000754431_100000210210 [1,1,0,0,0,0|2,0,0]=4 2834 B8R0.4 C=CCCSCCCF 62a_100000754431_100011934791 [1,1,0,0,0,0|2,0,0]=4 2835 B8R0.4 C=CCCSCCCF 62a_100011934791_100000754431 [1,1,0,0,0,0|2,0,0]=4 2836 B8R0.4 C=CCCSCCCO 62a_100000754431_100011215043 [1,1,0,0,0,0|2,0,0]=4 2837 B8R0.4 C=CCCSCCCO 62a_100011215043_100000754431 [1,1,0,0,0,0|2,0,0]=4 2838 B8R0.4 C=CCNCCCC=O 2230a_100020586998_200011292268 [1,1,0,0,0,0|1,0,1]=4 2839 B8R0.4 C=CCNCCCCC 2230a_100000209983_100000210623 [1,1,0,0,0,0|2,0,0]=4 2840 B8R0.4 C=CCNCCCCC 2230a_100020586998_100000210326 [1,1,0,0,0,0|2,0,0]=4 2841 B8R0.4 C=CCNCCCCF 2230a_100020586998_100000729493 [1,1,0,0,0,0|2,0,0]=4 2842 B8R0.4 C=CCNCCCCO 2230a_100000750430_100000210623 [1,1,0,0,0,0|2,0,0]=4 2843 B8R0.4 C=CCNCCCCO 2230a_100020586998_100000210776 [1,1,0,0,0,0|2,0,0]=4 2844 B8R0.4 C=CCNCCCCO 34a_100000750430_100015514636 [1,1,0,0,0,0|2,0,0]=4 2845 B8R0.4 C=CCOCCCCBr 34a_100011216708_100015514636 [1,1,0,0,0,0|2,0,0]=4 2846 B8R0.4 C=CCOCCCCC 34a_100000210253_100015514636 [1,1,0,0,0,0|2,0,0]=4 2847 B8R0.4 C=CCOCCCCC 34a_200000210373_100000718602 [1,1,0,0,0,0|2,0,0]=4 2848 B8R0.4 C=CCOCCCCC 7a_100000210253_100015514636 [1,1,0,0,0,0|2,0,0]=4 2849 B8R0.4 C=CCOCCCCCl 34a_100000210776_100015514636 [1,1,0,0,0,0|2,0,0]=4 2850 B8R0.4 C=CCOCCCCCl 7a_100000210776_100015514636 [1,1,0,0,0,0|2,0,0]=4 2851 B8R0.4 C=CCOCCCCF 34a_100011995726_100015514636 [1,1,0,0,0,0|2,0,0]=4 2852 B8R0.4 C=CCOCCCCF 34a_200000210373_100000729493 [1,1,0,0,0,0|2,0,0]=4 2853 B8R0.4 C=CCOCCCCF 7a_100011995726_100015514636 [1,1,0,0,0,0|2,0,0]=4 2854 B8R0.4 C=CCOCCCCI 34a_200012148704_100015514636 [1,1,0,0,0,0|2,0,0]=4 2855 B8R0.4 C=CCOCCCCN 34a_100000750430_100015514636 [1,1,0,0,0,0|1,0,0]=3 2856 B8R0.4 C=CCOCCCCO 34a_200000210373_100011216708 [1,1,0,0,0,0|2,0,0]=4 2857 B8R0.4 C=CCOCCCNC 34a_100000213112_100015514636 [1,1,0,0,0,0|2,0,0]=4 2858 B8R0.4 C=CCSCCCC=O 62a_100000210623_200011292268 [1,1,0,0,0,0|1,0,1]=4 2859 B8R0.4 C=CCSCCCC=O 62a_200011292268_100000210623 [1,1,0,0,0,0|1,0,1]=4 2860 B8R0.4 C=CCSCCCCC 62a_100000210326_100000210623 [1,1,0,0,0,0|2,0,0]=4 2861 B8R0.4 C=CCSCCCCC 62a_100000210623_100000210326 [1,1,0,0,0,0|2,0,0]=4 2862 B8R0.4 C=CCSCCCCF 62a_100000210623_100000729493 [1,1,0,0,0,0|2,0,0]=4 2863 B8R0.4 C=CCSCCCCF 62a_100000729493_100000210623 [1,1,0,0,0,0|2,0,0]=4 2864 B8R0.4 C=CCSCCCCO 62a_100000210623_100000210776 [1,1,0,0,0,0|2,0,0]=4 2865 B8R0.4 C=CCSCCCCO 62a_100000210776_100000210623 [1,1,0,0,0,0|2,0,0]=4 2866 B8R0.4 C=COCCOCCN 34a_100000210304_100000039644 [1,1,0,0,0,0|2,0,0]=4 2867 B8R0.4 CC=CCOCCCN 34a_100000182051_100000070051 [1,1,0,0,0,0|1,0,1]=4 2868 B8R0.4 CCCCCCCNC 2230a_100000229938_200000210301 [1,1,0,0,0,0|1,0,1]=4 2869 B8R0.4 CCCCCCCNC 2230a_106832991635_100000210681 [1,1,0,0,0,0|1,0,1]=4 2870 B8R0.4 CCCCCCCNC 34a_100102657272_100000210614 [1,1,0,0,0,0|1,0,1]=4 2871 B8R0.4 CCCCCCCNC 7a_106832991635_100000210614 [1,1,0,0,0,0|1,0,1]=4 2872 B8R0.4 CCCCCCCN[13CH3] 2230a_100000229938_200025704644 [1,1,0,0,0,0|1,0,1]=4 2873 B8R0.4 CCCCCCCOC 34a_100000210272_200000210301 [1,1,0,0,0,0|1,0,1]=4 2874 B8R0.4 CCCCCCCOC 34a_100138415774_100000210614 [1,1,0,0,0,0|1,0,1]=4 2875 B8R0.4 CCCCCCCOC 7a_100000210272_200000210301 [1,1,0,0,0,0|1,0,1]=4 2876 B8R0.4 CCCCCCCO[13CH3] 34a_100000210272_200025704644 [1,1,0,0,0,0|1,0,1]=4 2877 B8R0.4 CCCCCCCO[13CH3] 7a_100000210272_200025704644 [1,1,0,0,0,0|1,0,1]=4 2878 B8R0.4 CCCCCNCC=O 2230a_100000209983_200015260668 [1,1,0,0,0,0|1,0,0]=3 2879 B8R0.4 CCCCCNCCO 2230a_100000209983_100000211926 [1,1,0,0,0,0|1,0,1]=4 2880 B8R0.4 CCCCCNCCO 2230a_100016997473_100000210326 [1,1,0,0,0,0|1,0,1]=4 2881 B8R0.4 CCCCCNCCO 34a_100016990907_100000718602 [1,1,0,0,0,0|1,0,1]=4 2882 B8R0.4 CCCCCOCC=O 34a_100000210253_200009817547 [1,1,0,0,0,0|1,0,0]=3 2883 B8R0.4 CCCCCOCC=O 7a_100000210253_200015260668 [1,1,0,0,0,0|1,0,0]=3 2884 B8R0.4 CCCCCOCCN 34a_100000210304_100000718602 [1,1,0,0,0,0|1,0,1]=4 2885 B8R0.4 CCCCCOCCO 34a_100000210253_100000211926 [1,1,0,0,0,0|1,0,1]=4 2886 B8R0.4 CCCCCOCCO 7a_100000210253_100000211926 [1,1,0,0,0,0|1,0,1]=4 2887 B8R0.4 CCCCCSCC=O 62a_100000210326_200015260668 [1,1,0,0,0,0|1,0,0]=3 2888 B8R0.4 CCCCCSCC=O 62a_200015260668_100000210326 [1,1,0,0,0,0|1,0,0]=3 2889 B8R0.4 CCCCCSCCO 62a_100000210326_100000211926 [1,1,0,0,0,0|1,0,1]=4 2890 B8R0.4 CCCCCSCCO 62a_100000211926_100000210326 [1,1,0,0,0,0|1,0,1]=4 2891 B8R0.4 CCCCNCCCO 2230a_100000102301_100000230001 [1,1,0,0,0,0|1,0,1]=4 2892 B8R0.4 CCCCNCCCO 7a_106832991798_100011215043 [1,1,0,0,0,0|1,0,1]=4 2893 B8R0.4 CCCCOCCCN 34a_100000182051_100000210210 [1,1,0,0,0,0|1,0,1]=4 2894 B8R0.4 CCCCOCCCO 34a_100000210227_100000230001 [1,1,0,0,0,0|1,0,1]=4 2895 B8R0.4 CCCCOCCCO 7a_100000210227_100011215043 [1,1,0,0,0,0|1,0,1]=4 2896 B8R0.4 CCCCSCCCO 62a_100000210211_100011215043 [1,1,0,0,0,0|1,0,1]=4 2897 B8R0.4 CCCCSCCCO 62a_100011215043_100000210210 [1,1,0,0,0,0|1,0,1]=4 2898 B8R0.4 CCCNCCCCO 2230a_100000750430_100000210303 [1,1,0,0,0,0|1,0,1]=4 2899 B8R0.4 CCCNCCCCO 34a_100000750430_100000210303 [1,1,0,0,0,0|1,0,1]=4 2900 B8R0.4 CCCOCCCCN 34a_100000750430_100000210303 [1,1,0,0,0,0|1,0,1]=4 2901 B8R0.4 CCCOCCCCO 34a_100000210258_100011216708 [1,1,0,0,0,0|1,0,1]=4 2902 B8R0.4 CCCSCCCC=O 62a_100000210303_200011292268 [1,1,0,0,0,0|1,0,0]=3 2903 B8R0.4 CCCSCCCC=O 62a_200011292268_100000210303 [1,1,0,0,0,0|1,0,0]=3 2904 B8R0.4 CCCSCCCCO 62a_100000210303_100000210776 [1,1,0,0,0,0|1,0,1]=4 2905 B8R0.4 CCCSCCCCO 62a_100000210776_100000210303 [1,1,0,0,0,0|1,0,1]=4 2906 B8R0.4 CCNCCCCC=O 2230a_100015525214_100000139335 [1,1,0,0,0,0|1,0,0]=3 2907 B8R0.4 CCNCCCCCO 2230a_100000762737_100000210202 [1,1,0,0,0,0|1,0,1]=4 2908 B8R0.4 CCNCCCCCO 2230a_100015525214_100000746330 [1,1,0,0,0,0|1,0,1]=4 2909 B8R0.4 CCNCCCCCO 34a_100000762737_100000210202 [1,1,0,0,0,0|1,0,1]=4 2910 B8R0.4 CCOCCCCCN 34a_100000762737_100000210202 [1,1,0,0,0,0|1,0,1]=4 2911 B8R0.4 CCOCCCCCO 34a_100121572206_100000746330 [1,1,0,0,0,0|1,0,1]=4 2912 B8R0.4 CCOCCNCC=O 2230a_102516460346_200015260668 [1,1,0,0,0,0|2,0,0]=4 2913 B8R0.4 CCOCCNCC=O 34a_102516460346_200009817547 [1,1,0,0,0,0|2,0,0]=4 2914 B8R0.4 CCOCCOCC=O 34a_100000210136_200009817547 [1,1,0,0,0,0|2,0,0]=4 2915 B8R0.4 CCOCCOCC=O 7a_100000210136_200015260668 [1,1,0,0,0,0|2,0,0]=4 2916 B8R0.4 CCOCCSCC=O 62a_100000210147_200015260668 [1,1,0,0,0,0|2,0,0]=4 2917 B8R0.4 CCOCCSCC=O 62a_200015260668_100011215890 [1,1,0,0,0,0|2,0,0]=4 2918 B8R0.4 CCSCCCCC=O 62a_100000139335_100000210202 [1,1,0,0,0,0|1,0,0]=3 2919 B8R0.4 CCSCCCCC=O 62a_100000210202_100000139335 [1,1,0,0,0,0|1,0,0]=3 2920 B8R0.4 CCSCCCCCO 62a_100000210202_100000746330 [1,1,0,0,0,0|1,0,1]=4 2921 B8R0.4 CCSCCCCCO 62a_100000746330_100000210202 [1,1,0,0,0,0|1,0,1]=4 2922 B8R0.4 CCSCCNCC=O 2230a_100000106463_200015260668 [1,1,0,0,0,0|2,0,0]=4 2923 B8R0.4 CCSCCOCC=O 34a_100000212035_200009817547 [1,1,0,0,0,0|2,0,0]=4 2924 B8R0.4 CCSCCOCC=O 7a_100000212035_200015260668 [1,1,0,0,0,0|2,0,0]=4 2925 B8R0.4 CCSCCSCC=O 62a_100000757381_200015260668 [1,1,0,0,0,0|2,0,0]=4 2926 B8R0.4 CCSCCSCC=O 62a_200015260668_100000757381 [1,1,0,0,0,0|2,0,0]=4 2927 B8R0.4 CNCCCCCC#N 2230a_106832991635_100009813376 [1,1,0,0,0,0|1,0,1]=4 2928 B8R0.4 CNCCCCCC#N 7a_106832991635_100009813376 [1,1,0,0,0,0|1,0,1]=4 2929 B8R0.4 CNCCCCCC=O 2230a_106832991635_100000139337 [1,1,0,0,0,0|0,0,0]=2 2930 B8R0.4 CNCCCCCC=O 7a_106832991635_100000139337 [1,1,0,0,0,0|0,0,0]=2 2931 B8R0.4 CNCCCCCCF 2230a_106832991635_100015922095 [1,1,0,0,0,0|1,0,1]=4 2932 B8R0.4 CNCCCCCCF 34a_100102657272_100015922095 [1,1,0,0,0,0|1,0,1]=4 2933 B8R0.4 CNCCCCCCF 7a_106832991635_100015922095 [1,1,0,0,0,0|1,0,1]=4 2934 B8R0.4 CNCCCCCCO 2230a_100000686447_200000210301 [1,1,0,0,0,0|0,0,1]=3 2935 B8R0.4 CNCCCCCCO 2230a_106832991635_100000766143 [1,1,0,0,0,0|0,0,1]=3 2936 B8R0.4 CNCCCCCCO 34a_100000686447_200000210301 [1,1,0,0,0,0|0,0,1]=3 2937 B8R0.4 CNCCCCCCO 34a_100102657272_100000766143 [1,1,0,0,0,0|0,0,1]=3 2938 B8R0.4 CNCCCCCCO 7a_106832991635_100000766143 [1,1,0,0,0,0|0,0,1]=3 2939 B8R0.4 CNCCCCCOC 2230a_100000747528_200000210301 [1,1,0,0,0,0|2,0,0]=4 2940 B8R0.4 CNCCCCCOC 34a_100000722520_200000210301 [1,1,0,0,0,0|2,0,0]=4 2941 B8R0.4 CNCCCCCOC 34a_100000747528_200000210301 [1,1,0,0,0,0|2,0,0]=4 2942 B8R0.4 CNCCCCCO[13CH3] 34a_100000722520_200025704644 [1,1,0,0,0,0|2,0,0]=4 2943 B8R0.4 CNCCCOCC=O 34a_100000213112_200009817547 [1,1,0,0,0,0|1,0,0]=3 2944 B8R0.4 CNCCCOCCO 34a_100000213112_100000211926 [1,1,0,0,0,0|1,0,1]=4 2945 B8R0.4 COCCCCCCBr 34a_100011215345_200000210301 [1,1,0,0,0,0|1,0,1]=4 2946 B8R0.4 COCCCCCCBr 7a_100011215345_200000210301 [1,1,0,0,0,0|1,0,1]=4 2947 B8R0.4 COCCCCCCCl 34a_100000766143_200000210301 [1,1,0,0,0,0|1,0,1]=4 2948 B8R0.4 COCCCCCCCl 7a_100000766143_200000210301 [1,1,0,0,0,0|1,0,1]=4 2949 B8R0.4 COCCCCCCF 34a_100000732779_200000210301 [1,1,0,0,0,0|1,0,1]=4 2950 B8R0.4 COCCCCCCF 34a_100138415774_100015922095 [1,1,0,0,0,0|1,0,1]=4 2951 B8R0.4 COCCCCCCF 7a_100000732779_200000210301 [1,1,0,0,0,0|1,0,1]=4 2952 B8R0.4 COCCCCCCN 34a_100000686447_200000210301 [1,1,0,0,0,0|0,0,1]=3 2953 B8R0.4 COCCCCCCO 34a_100138415774_100000766143 [1,1,0,0,0,0|1,0,1]=4 2954 B8R0.4 COCCCCCN[13CH3] 2230a_100000747528_200025704644 [1,1,0,0,0,0|2,0,0]=4 2955 B8R0.4 COCCCCCN[13CH3] 34a_100000747528_200025704644 [1,1,0,0,0,0|2,0,0]=4 2956 B8R0.4 COCCCNCC=O 34a_100150723488_200009817547 [1,1,0,0,0,0|2,0,0]=4 2957 B8R0.4 COCCCOCC=O 34a_100000740835_200009817547 [1,1,0,0,0,0|2,0,0]=4 2958 B8R0.4 COCCCOCCN 34a_100000210304_100000740836 [1,1,0,0,0,0|1,0,1]=4 2959 B8R0.4 COCCCSCC=O 62a_100000709357_200015260668 [1,1,0,0,0,0|2,0,0]=4 2960 B8R0.4 COCCCSCC=O 62a_200015260668_100000709357 [1,1,0,0,0,0|2,0,0]=4 2961 B8R0.4 COCCOCCCN 34a_100000182051_100011201679 [1,1,0,0,0,0|1,0,1]=4 2962 B8R0.4 COCSCCCC=O 62a_100000766300_200011292268 [1,1,0,0,0,0|2,0,0]=4 2963 B8R0.4 COCSCCCC=O 62a_200011292268_100000766300 [1,1,0,0,0,0|2,0,0]=4 2964 B8R0.4 CSCCCCCC=O 62a_100000139337_200000210301 [1,1,0,0,0,0|1,0,0]=3 2965 B8R0.4 CSCCCCCC=O 62a_200000210301_100000139337 [1,1,0,0,0,0|1,0,0]=3 2966 B8R0.4 CSCCCCCCO 62a_100000766143_200000210301 [1,1,0,0,0,0|1,0,1]=4 2967 B8R0.4 CSCCCCCCO 62a_200000210301_100000766143 [1,1,0,0,0,0|1,0,1]=4 2968 B8R0.4 CSCCCNCC=O 2230a_100000749238_200015260668 [1,1,0,0,0,0|2,0,0]=4 2969 B8R0.4 CSCCCOCC=O 34a_100000690336_200009817547 [1,1,0,0,0,0|2,0,0]=4 2970 B8R0.4 CSCCCOCC=O 7a_100000690336_200015260668 [1,1,0,0,0,0|2,0,0]=4 2971 B8R0.4 CSCCOCCCN 34a_100000182051_100000212216 [1,1,0,0,0,0|2,0,0]=4 2972 B8R0.4 CSCOCCCCN 34a_100000750430_100011218213 [1,1,0,0,0,0|2,0,0]=4 2973 B8R0.4 CSCSCCCC=O 62a_100011218213_200011292268 [1,1,0,0,0,0|2,0,0]=4 2974 B8R0.4 CSCSCCCC=O 62a_200011292268_100011218213 [1,1,0,0,0,0|2,0,0]=4 2975 B8R0.4 N#CCCCSCC=O 62a_100000687738_200015260668 [1,1,0,0,0,0|0,0,2]=4 2976 B8R0.4 N#CCCCSCC=O 62a_200015260668_100000687738 [1,1,0,0,0,0|0,0,2]=4 2977 B8R0.4 N#CCSCCCC=O 62a_100011215382_200011292268 [1,1,0,0,0,0|0,0,2]=4 2978 B8R0.4 N#CCSCCCC=O 62a_200011292268_100011215382 [1,1,0,0,0,0|0,0,2]=4 2979 B8R0.4 NCCCCCOCF 34a_100000762737_100015361967 [1,1,0,0,0,0|1,0,1]=4 2980 B8R0.4 NCCCCOCC=O 34a_100000750430_200009817547 [1,1,0,0,0,0|0,0,0]=2 2981 B8R0.4 NCCCCOCCF 34a_100000750430_100011217306 [1,1,0,0,0,0|1,0,1]=4 2982 B8R0.4 NCCCCOCCO 34a_100000750430_100000211926 [1,1,0,0,0,0|0,0,1]=3 2983 B8R0.4 NCCCOCCCF 34a_100000182051_100011934791 [1,1,0,0,0,0|1,0,1]=4 2984 B8R0.4 NCCCOCCCO 34a_100000182051_100000230001 [1,1,0,0,0,0|0,0,1]=3 2985 B8R0.4 NCCOCCCCF 34a_100000210304_100000729493 [1,1,0,0,0,0|1,0,1]=4 2986 B8R0.4 NCCOCCCCO 34a_100000210304_100011216708 [1,1,0,0,0,0|0,0,1]=3 2987 B8R0.4 NOCCOCCCO 34a_100000700252_100000230001 [1,1,0,0,0,0|1,0,1]=4 2988 B8R0.4 O=CCCCCSCF 62a_100000139335_100015361967 [1,1,0,0,0,0|1,0,0]=3 2989 B8R0.4 O=CCCCCSCF 62a_100015361967_100000139335 [1,1,0,0,0,0|1,0,0]=3 2990 B8R0.4 O=CCCCNCCO 2230a_100016997473_200011292268 [1,1,0,0,0,0|1,0,0]=3 2991 B8R0.4 O=CCCCSCC=O 62a_200011292268_200015260668 [1,1,0,0,0,0|1,0,1]=4 2992 B8R0.4 O=CCCCSCC=O 62a_200015260668_200011292268 [1,1,0,0,0,0|1,0,1]=4 2993 B8R0.4 O=CCCCSCCF 62a_100011217306_200011292268 [1,1,0,0,0,0|1,0,0]=3 2994 B8R0.4 O=CCCCSCCF 62a_200011292268_100011217306 [1,1,0,0,0,0|1,0,0]=3 2995 B8R0.4 O=CCCCSCCO 62a_100000211926_200011292268 [1,1,0,0,0,0|1,0,0]=3 2996 B8R0.4 O=CCCCSCCO 62a_200011292268_100000211926 [1,1,0,0,0,0|1,0,0]=3 2997 B8R0.4 O=CCNCCCCO 2230a_100000750430_200015260668 [1,1,0,0,0,0|1,0,0]=3 2998 B8R0.4 O=CCNCCCCO 34a_100000750430_200009817547 [1,1,0,0,0,0|1,0,0]=3 2999 B8R0.4 O=CCOCCCCBr 34a_100011216708_200009817547 [1,1,0,0,0,0|1,0,0]=3 3000 B8R0.4 O=CCOCCCCCl 34a_100000210776_200009817547 [1,1,0,0,0,0|1,0,0]=3 3001 B8R0.4 O=CCOCCCCCl 7a_100000210776_200015260668 [1,1,0,0,0,0|1,0,0]=3 3002 B8R0.4 O=CCOCCCCF 34a_100011995726_200009817547 [1,1,0,0,0,0|1,0,0]=3 3003 B8R0.4 O=CCOCCCCF 7a_100011995726_200015260668 [1,1,0,0,0,0|1,0,0]=3 3004 B8R0.4 O=CCOCCCCI 34a_200012148704_200009817547 [1,1,0,0,0,0|1,0,0]=3 3005 B8R0.4 O=CCSCCCCF 62a_100000729493_200015260668 [1,1,0,0,0,0|1,0,0]=3 3006 B8R0.4 O=CCSCCCCF 62a_200015260668_100000729493 [1,1,0,0,0,0|1,0,0]=3 3007 B8R0.4 O=CCSCCCCO 62a_100000210776_200015260668 [1,1,0,0,0,0|1,0,0]=3 3008 B8R0.4 O=CCSCCCCO 62a_200015260668_100000210776 [1,1,0,0,0,0|1,0,0]=3 3009 B8R0.4 OCCCCCNCF 34a_100000762737_100015361967 [1,1,0,0,0,0|1,0,1]=4 3010 B8R0.4 OCCCCCSCF 62a_100000746330_100015361967 [1,1,0,0,0,0|1,0,1]=4 3011 B8R0.4 OCCCCCSCF 62a_100015361967_100000746330 [1,1,0,0,0,0|1,0,1]=4 3012 B8R0.4 OCCCCNCCF 2230a_100000750430_100011217306 [1,1,0,0,0,0|1,0,1]=4 3013 B8R0.4 OCCCCNCCF 34a_100000724931_100011216708 [1,1,0,0,0,0|1,0,1]=4 3014 B8R0.4 OCCCCNCCF 34a_100000750430_100011217306 [1,1,0,0,0,0|1,0,1]=4 3015 B8R0.4 OCCCCNCCO 2230a_100000750430_100000211926 [1,1,0,0,0,0|1,0,1]=4 3016 B8R0.4 OCCCCNCCO 2230a_100016997473_100000210776 [1,1,0,0,0,0|1,0,1]=4 3017 B8R0.4 OCCCCNCCO 34a_100000750430_100000211926 [1,1,0,0,0,0|1,0,1]=4 3018 B8R0.4 OCCCCNCCO 34a_100016990907_100011216708 [1,1,0,0,0,0|1,0,1]=4 3019 B8R0.4 OCCCCOCCBr 34a_100000211926_100011216708 [1,1,0,0,0,0|1,0,1]=4 3020 B8R0.4 OCCCCSCCF 62a_100000210776_100011217306 [1,1,0,0,0,0|1,0,1]=4 3021 B8R0.4 OCCCCSCCF 62a_100011217306_100000210776 [1,1,0,0,0,0|1,0,1]=4 3022 B8R0.4 OCCCCSCCO 62a_100000210776_100000211926 [1,1,0,0,0,0|1,0,1]=4 3023 B8R0.4 OCCCCSCCO 62a_100000211926_100000210776 [1,1,0,0,0,0|1,0,1]=4 3024 B8R0.4 OCCCNCCCF 2230a_100015189416_100000230001 [1,1,0,0,0,0|1,0,1]=4 3025 B8R0.4 OCCCNCCCF 34a_100015189416_100000230001 [1,1,0,0,0,0|1,0,1]=4 3026 B8R0.4 OCCCOCCCBr 34a_100011217188_100000230001 [1,1,0,0,0,0|1,0,1]=4 3027 B8R0.4 OCCCOCCCCl 34a_100000230001_100000230001 [1,1,0,0,0,0|1,0,1]=4 3028 B8R0.4 OCCCOCCCF 34a_100000759539_100000230001 [1,1,0,0,0,0|1,0,1]=4 3029 B8R0.4 OCCCSCCCF 62a_100011215043_100011934791 [1,1,0,0,0,0|1,0,1]=4 3030 B8R0.4 OCCCSCCCF 62a_100011934791_100011215043 [1,1,0,0,0,0|1,0,1]=4 3031 B8R0.4 OCCCSCCCO 62a_100011215043_100011215043 [1,1,0,0,0,0|1,0,1]=4 3032 B8R0.4 OCCNCCCCF 2230a_100016997473_100000729493 [1,1,0,0,0,0|1,0,1]=4 3033 B8R0.4 OCCNCCCCF 34a_100016990907_100000729493 [1,1,0,0,0,0|1,0,1]=4 3034 B8R0.4 OCCOCCCCBr 34a_100011216708_100000211926 [1,1,0,0,0,0|1,0,1]=4 3035 B8R0.4 OCCOCCCCCl 34a_100000210776_100000211926 [1,1,0,0,0,0|1,0,1]=4 3036 B8R0.4 OCCOCCCCCl 7a_100000210776_100000211926 [1,1,0,0,0,0|1,0,1]=4 3037 B8R0.4 OCCOCCCCF 34a_100011995726_100000211926 [1,1,0,0,0,0|1,0,1]=4 3038 B8R0.4 OCCOCCCCF 7a_100011995726_100000211926 [1,1,0,0,0,0|1,0,1]=4 3039 B8R0.4 OCCOCCCCI 34a_200012148704_100000211926 [1,1,0,0,0,0|1,0,1]=4 3040 B8R0.4 OCCSCCCCF 62a_100000211926_100000729493 [1,1,0,0,0,0|1,0,1]=4 3041 B8R0.4 OCCSCCCCF 62a_100000729493_100000211926 [1,1,0,0,0,0|1,0,1]=4 3042 B8R0.4 [13CH3]NCCCCCCO 2230a_100000686447_200025704644 [1,1,0,0,0,0|0,0,1]=3 3043 B8R0.4 [13CH3]NCCCCCCO 34a_100000686447_200025704644 [1,1,0,0,0,0|0,0,1]=3 3044 B8R0.4 [13CH3]OCCCCCCBr 34a_100011215345_200025704644 [1,1,0,0,0,0|1,0,1]=4 3045 B8R0.4 [13CH3]OCCCCCCBr 7a_100011215345_200025704644 [1,1,0,0,0,0|1,0,1]=4 3046 B8R0.4 [13CH3]OCCCCCCCl 34a_100000766143_200025704644 [1,1,0,0,0,0|1,0,1]=4 3047 B8R0.4 [13CH3]OCCCCCCCl 7a_100000766143_200025704644 [1,1,0,0,0,0|1,0,1]=4 3048 B8R0.4 [13CH3]OCCCCCCF 34a_100000732779_200025704644 [1,1,0,0,0,0|1,0,1]=4 3049 B8R0.4 [13CH3]OCCCCCCF 7a_100000732779_200025704644 [1,1,0,0,0,0|1,0,1]=4 3050 B8R0.4 [13CH3]OCCCCCCN 34a_100000686447_200025704644 [1,1,0,0,0,0|0,0,1]=3 3051 B8R0.4 [13CH3]SCCCCCC=O 62a_100000139337_200025704644 [1,1,0,0,0,0|1,0,0]=3 3052 B8R0.4 [13CH3]SCCCCCC=O 62a_200025704644_100000139337 [1,1,0,0,0,0|1,0,0]=3 3053 B8R0.4 [13CH3]SCCCCCCO 62a_100000766143_200025704644 [1,1,0,0,0,0|1,0,1]=4 3054 B8R0.4 [13CH3]SCCCCCCO 62a_200025704644_100000766143 [1,1,0,0,0,0|1,0,1]=4 3055 B8R0.6 C=CC(O)COCCN 34a_100000210304_100000730141 [1,1,0,0,0,0|2,0,0]=4 3056 B8R0.6 C=CCCOC(C)CN 34a_100000210904_100000754431 [1,1,0,0,0,0|2,0,0]=4 3057 B8R0.6 C=CCOCC(C)CN 34a_100000744482_100015514636 [1,1,0,0,0,0|2,0,0]=4 3058 B8R0.6 C=CCOC[C@H](F)CN 34a_100015665980_100015514636 [1,1,0,0,0,0|2,0,0]=4 3059 B8R0.6 CC(CN)COCC=O 34a_100000744482_200009817547 [1,1,0,0,0,0|1,0,0]=3 3060 B8R0.6 CC(CN)COCCO 34a_100000744482_100000211926 [1,1,0,0,0,0|1,0,1]=4 3061 B8R0.6 CC(CN)OCCCO 34a_100000210904_100000230001 [1,1,0,0,0,0|1,0,1]=4 3062 B8R0.6 CC(CO)CNCC=O 34a_100000744482_200009817547 [1,1,0,0,0,0|2,0,0]=4 3063 B8R0.6 CC(CO)OCCCN 34a_100000182051_100012180447 [1,1,0,0,0,0|1,0,1]=4 3064 B8R0.6 CCC(C)CNCC=O 2230a_100020588543_200015260668 [1,1,0,0,0,0|2,0,0]=4 3065 B8R0.6 CCC(C)CSCC=O 62a_100000748023_200015260668 [1,1,0,0,0,0|2,0,0]=4 3066 B8R0.6 CCC(C)CSCC=O 62a_200015260668_100000748023 [1,1,0,0,0,0|2,0,0]=4 3067 B8R0.6 CCC(O)CNCC=O 2230a_100011218483_200015260668 [1,1,0,0,0,0|2,0,0]=4 3068 B8R0.6 CCC(O)CSCC=O 62a_100011218378_200015260668 [1,1,0,0,0,0|2,0,0]=4 3069 B8R0.6 CCC(O)CSCC=O 62a_200015260668_100011218378 [1,1,0,0,0,0|2,0,0]=4 3070 B8R0.6 CCN(C)CCCC=O 2230a_100000225621_200011292268 [1,1,0,0,0,0|2,0,0]=4 3071 B8R0.6 CCN(C)CCCC=O 269982a_100000225621_200011292268 [1,1,0,0,0,0|2,0,0]=4 3072 B8R0.6 CC[C@H](C)COCC=O 7a_100009816381_200015260668 [1,1,0,0,0,0|2,0,0]=4 3073 B8R0.6 CC[C@H](C)CSCC=O 62a_100009816398_200015260668 [1,1,0,0,0,0|2,0,0]=4 3074 B8R0.6 CC[C@H](C)CSCC=O 62a_200015260668_100009816398 [1,1,0,0,0,0|2,0,0]=4 3075 B8R0.6 COCCC[C@@H](C)CN 34a_100160569302_200000210301 [1,1,0,0,0,0|2,0,0]=4 3076 B8R0.6 C[C@@H](CN)CCCO[13CH3] 34a_100160569302_200025704644 [1,1,0,0,0,0|2,0,0]=4 3077 B8R0.6 C[C@@H](CO)COCCN 34a_100000210304_100000059175 [1,1,0,0,0,0|1,0,1]=4 3078 B8R0.6 C[C@@H](CO)CSCC=O 62a_100000059175_200015260668 [1,1,0,0,0,0|2,0,0]=4 3079 B8R0.6 C[C@@H](CO)CSCC=O 62a_200015260668_100000059175 [1,1,0,0,0,0|2,0,0]=4 3080 B8R0.6 NCCOCC(O)CO 34a_100000210304_100011219619 [1,1,0,0,0,0|1,0,1]=4 3081 B8R0.6 NCCOC[C@@H](O)CO 34a_100000210304_100009815848 [1,1,0,0,0,0|1,0,1]=4 3082 B8R0.6 NC[C@@H](F)COCC=O 34a_100015665980_200009817547 [1,1,0,0,0,0|1,0,0]=3 3083 B8R0.6 NC[C@@H](F)COCCO 34a_100015665980_100000211926 [1,1,0,0,0,0|1,0,1]=4 3084 B8R0.6 O=CCNC[C@@H](F)CO 34a_100015665980_200009817547 [1,1,0,0,0,0|2,0,0]=4 3085 B8R0.6 O=CCNC[C@H](O)CO 2230a_100020644852_200015260668 [1,1,0,0,0,0|2,0,0]=4 3086 B8R0.6 O=CCOCC(Cl)CCl 34a_100000033668_200009817547 [1,1,0,0,0,0|2,0,0]=4 3087 B8R0.6 O=CCSCC(O)CO 62a_100011219619_200015260668 [1,1,0,0,0,0|2,0,0]=4 3088 B8R0.6 O=CCSCC(O)CO 62a_200015260668_100011219619 [1,1,0,0,0,0|2,0,0]=4 3089 B8R0.6 O=CCSC[C@@H](O)CF 62a_100015614560_200015260668 [1,1,0,0,0,0|2,0,0]=4 3090 B8R0.6 O=CCSC[C@@H](O)CF 62a_200015260668_100015614560 [1,1,0,0,0,0|2,0,0]=4 3091 B8R0.6 O=CCSC[C@@H](O)CO 62a_100009815848_200015260668 [1,1,0,0,0,0|2,0,0]=4 3092 B8R0.6 O=CCSC[C@@H](O)CO 62a_200015260668_100009815848 [1,1,0,0,0,0|2,0,0]=4 3093 B8R0.5 C=C(CCC)CC(=O)C 1458a_100000138376_200000210301 [1,1,0,0,0,0|1,0,1]=4 3094 B8R0.5 C=C(CCC)CC(=O)[13CH3] 1458a_100000138376_200025704644 [1,1,0,0,0,0|1,0,1]=4 3095 B8R0.5 CCCC(=O)CC(=O)C 1458a_100000070787_100000747444 [1,1,0,0,0,0|1,0,1]=4 3096 B8R0.5 CCCC(=O)CC(=O)N 1458a_100000211992_100000187820 [1,1,0,0,0,0|1,0,1]=4 3097 B8R0.5 CCCC(=O)CC(=O)N 1458a_100134613110_100000210303 [1,1,0,0,0,0|1,0,1]=4 3098 B8R0.5 CCCC(=O)CC(=O)[O-] 1458a_100000211992_100020667443 [1,1,0,0,0,0|0,0,2]=4 3099 B8R0.5 CCCC(C)CC(=O)C 1458a_100000070787_100011216630 [1,1,0,0,0,0|1,0,0]=3 3100 B8R0.5 CCCC(C)CC(=O)C 1458a_100000748435_200000210301 [1,1,0,0,0,0|1,0,0]=3 3101 B8R0.5 CCCC(C)CC(=O)[13CH3] 1458a_100000748435_200025704644 [1,1,0,0,0,0|1,0,0]=3 3102 B8R0.5 CCCC(C)NC(=O)C 11a_100000741246_100015343762 [1,1,0,0,0,0|2,0,0]=4 3103 B8R0.5 CCCC(C)NC(=O)C 1626a_100000741246_100015343762 [1,1,0,0,0,0|2,0,0]=4 3104 B8R0.5 CCCC(C)NC(=O)C 240690a_100000741246_100015343762 [1,1,0,0,0,0|2,0,0]=4 3105 B8R0.5 CCCC(C)NC(=O)C 527a_100000741246_100103153847 [1,1,0,0,0,0|2,0,0]=4 3106 B8R0.5 CCCN(C)CC(=O)N 2230a_100000739694_100000210303 [1,1,0,0,0,0|2,0,0]=4 3107 B8R0.5 CCCN(C)CC(=O)N 2230a_100000747261_100000747473 [1,1,0,0,0,0|2,0,0]=4 3108 B8R0.5 CCCN(C)CC(=O)N 269982a_100000747261_100000187820 [1,1,0,0,0,0|2,0,0]=4 3109 B8R0.5 CCCN(C)CC(=O)O 269956a_100000746989_100000210207 [1,1,0,0,0,0|1,0,0]=3 3110 B8R0.5 CCCN(C)CC(=O)[O-] 269982a_100000747261_100020667443 [1,1,0,0,0,0|1,0,1]=4 3111 B8R0.5 CCCS(=O)CC(=O)C 1458a_100011387404_200000210301 [1,1,0,0,0,0|2,0,0]=4 3112 B8R0.5 CCCS(=O)CC(=O)[13CH3] 1458a_100011387404_200025704644 [1,1,0,0,0,0|2,0,0]=4 3113 B8R0.5 CCSC(C)CC(=O)C 1458a_200011311441_200000210301 [1,1,0,0,0,0|2,0,0]=4 3114 B8R0.5 CCSC(C)CC(=O)[13CH3] 1458a_200011311441_200025704644 [1,1,0,0,0,0|2,0,0]=4 3115 B8R0.5 CN(CCF)CC(=O)O 269956a_100000746989_100011217306 [1,1,0,0,0,0|2,0,0]=4 3116 B8R0.5 CN(CCO)CC(=O)O 269956a_100000746989_100000211926 [1,1,0,0,0,0|2,0,0]=4 3117 B8R0.5 CN(CCO)CC(=O)O 269956a_100000747938_200000210301 [1,1,0,0,0,0|2,0,0]=4 3118 B8R0.5 CNCC(O)CC(=O)O 269956a_100011218706_200000210301 [1,1,0,0,0,0|1,0,0]=3 3119 B8R0.5 COCN(C)CC(=O)O 269956a_100000746989_100000766300 [1,1,0,0,0,0|2,0,0]=4 3120 B8R0.5 CSCN(C)CC(=O)O 269956a_100000746989_100011218213 [1,1,0,0,0,0|2,0,0]=4 3121 B8R0.5 [13CH3]N(CCO)CC(=O)O 269956a_100000747938_200025704644 [1,1,0,0,0,0|2,0,0]=4 3122 B8R0.5 [13CH3]NCC(O)CC(=O)O 269956a_100011218706_200025704644 [1,1,0,0,0,0|1,0,0]=3 3123 B8R0.8 CC(CNCF)C(=O)O 269956a_100000749485_100015361967 [1,1,0,0,0,0|2,0,0]=4 3124 B8R0.8 CC(OCCN)C(=O)N 34a_100000210304_100000702099 [1,1,0,0,0,0|2,0,0]=4 3125 B8R0.8 CCCCC(C)C(=O)C 1458a_100000070787_200011215066 [1,1,0,0,0,0|1,0,0]=3 3126 B8R0.8 CCCCC(C)C(=O)C 1458a_100000725509_200000210301 [1,1,0,0,0,0|1,0,0]=3 3127 B8R0.8 CCCCC(C)C(=O)[13CH3] 1458a_100000725509_200025704644 [1,1,0,0,0,0|1,0,0]=3 3128 B8R0.8 CCCCC(O)C(=O)C 1458a_100000720857_200000210301 [1,1,0,0,0,0|1,0,0]=3 3129 B8R0.8 CCCCC(O)C(=O)[13CH3] 1458a_100000720857_200025704644 [1,1,0,0,0,0|1,0,0]=3 3130 B8R0.8 CCCCN(C)C(=O)C 11a_100000207549_100015343762 [1,1,0,0,0,0|2,0,0]=4 3131 B8R0.8 CCCCN(C)C(=O)C 1626a_100000207549_100015343762 [1,1,0,0,0,0|2,0,0]=4 3132 B8R0.8 CCCCN(C)C(=O)C 240690a_100000207549_100015343762 [1,1,0,0,0,0|2,0,0]=4 3133 B8R0.8 CCCCN(C)C(=O)C 527a_100000207549_100103153847 [1,1,0,0,0,0|2,0,0]=4 3134 B8R0.8 CCCN[C@@H](C)C(=O)O 269956a_100000743915_100000210207 [1,1,0,0,0,0|1,0,0]=3 3135 B8R0.8 CCCN[C@H](C)C(=O)N 2230a_100000119354_100000210303 [1,1,0,0,0,0|2,0,0]=4 3136 B8R0.8 CCCN[C@H](C)C(=O)N 34a_100000119354_100000210303 [1,1,0,0,0,0|2,0,0]=4 3137 B8R0.8 CCCOC(C)C(=O)C 34a_100000212229_100000210303 [1,1,0,0,0,0|2,0,0]=4 3138 B8R0.8 CCCOC(C)C(=O)N 34a_100000210258_100000702099 [1,1,0,0,0,0|2,0,0]=4 3139 B8R0.8 CCCOC(F)C(=O)N 34a_100000210258_100009813875 [1,1,0,0,0,0|2,0,0]=4 3140 B8R0.8 CCCOC(F)C(=O)[O-] 34a_100000210258_100020610796 [1,1,0,0,0,0|1,0,1]=4 3141 B8R0.8 CCCO[C@@H](C)C(=O)[O-] 7a_217856618621_100000210303 [1,1,0,0,0,0|1,0,1]=4 3142 B8R0.8 CCCO[C@H](C)C(=O)N 34a_100000731257_100000210303 [1,1,0,0,0,0|2,0,0]=4 3143 B8R0.8 CCCO[C@H](C)C(=O)N 7a_100000731257_100000210303 [1,1,0,0,0,0|2,0,0]=4 3144 B8R0.8 CCCSC(C)C(=O)C 62a_100000210303_100009814033 [1,1,0,0,0,0|2,0,0]=4 3145 B8R0.8 CCCSC(C)C(=O)C 62a_100009814033_100000210303 [1,1,0,0,0,0|2,0,0]=4 3146 B8R0.8 CCCSC(C)C(=O)N 62a_100000210303_100000702099 [1,1,0,0,0,0|2,0,0]=4 3147 B8R0.8 CCCSC(C)C(=O)N 62a_100000702099_100000210303 [1,1,0,0,0,0|2,0,0]=4 3148 B8R0.8 CCCSC(F)C(=O)N 62a_100000210303_100009813875 [1,1,0,0,0,0|2,0,0]=4 3149 B8R0.8 CCCSC(F)C(=O)N 62a_100009813875_100000210303 [1,1,0,0,0,0|2,0,0]=4 3150 B8R0.8 CCCSC(F)C(=O)[O-] 62a_100000210303_100020610796 [1,1,0,0,0,0|1,0,1]=4 3151 B8R0.8 CCCSC(F)C(=O)[O-] 62a_100020610796_100000210303 [1,1,0,0,0,0|1,0,1]=4 3152 B8R0.8 CCNCC(C)C(=O)O 269956a_100000749485_100000210202 [1,1,0,0,0,0|1,0,0]=3 3153 B8R0.8 CCNCC(F)C(=O)O 269956a_100000084737_100000210202 [1,1,0,0,0,0|1,0,0]=3 3154 B8R0.8 CCOCC(C)C(=O)C 34a_100000032740_100000210202 [1,1,0,0,0,0|2,0,0]=4 3155 B8R0.8 CCOCC(C)C(=O)C 7a_100000032740_100000210202 [1,1,0,0,0,0|2,0,0]=4 3156 B8R0.8 CCOC[C@H](N)C(=O)N 34a_100000729942_100000210202 [1,1,0,0,0,0|2,0,0]=4 3157 B8R0.8 COCN[C@@H](C)C(=O)O 269956a_100000743915_100000766300 [1,1,0,0,0,0|2,0,0]=4 3158 B8R0.8 CSCCC(O)C(=O)C 1458a_100000685904_200000210301 [1,1,0,0,0,0|2,0,0]=4 3159 B8R0.8 CSCCC(O)C(=O)[13CH3] 1458a_100000685904_200025704644 [1,1,0,0,0,0|2,0,0]=4 3160 B8R0.8 CSCN[C@@H](C)C(=O)O 269956a_100000743915_100011218213 [1,1,0,0,0,0|2,0,0]=4 3161 B8R0.8 C[C@H](NCCF)C(=O)O 269956a_100000743915_100011217306 [1,1,0,0,0,0|2,0,0]=4 3162 B8R0.8 C[C@H](NCCO)C(=O)O 269956a_100000743915_100000211926 [1,1,0,0,0,0|2,0,0]=4 3163 B8R0.8 NCCOC(F)C(=O)N 34a_100000210304_100009813875 [1,1,0,0,0,0|2,0,0]=4 3164 B8R0.8 NCCOC(F)C(=O)[O-] 34a_100000210304_100020610796 [1,1,0,0,0,0|1,0,1]=4 3165 B8R0.8 O=C(O)C(F)CNCF 269956a_100000084737_100015361967 [1,1,0,0,0,0|2,0,0]=4 3166 B8R0.9 CC(CN)OCC(=O)N 34a_100000210904_100000187820 [1,1,0,0,0,0|2,0,0]=4 3167 B8R0.9 CC(CN)OCC(=O)[O-] 34a_100000210904_100020667443 [1,1,0,0,0,0|1,0,1]=4 3168 B8R0.9 CCC(=O)CCC(=O)N 1458a_100011215257_100000210202 [1,1,0,0,0,0|1,0,1]=4 3169 B8R0.9 CCC(C)CCC(=O)C 1458a_100000701222_200000210301 [1,1,0,0,0,0|1,0,0]=3 3170 B8R0.9 CCC(C)CCC(=O)[13CH3] 1458a_100000701222_200025704644 [1,1,0,0,0,0|1,0,0]=3 3171 B8R0.9 CCC(C)CNC(=O)C 11a_100020588543_100015343762 [1,1,0,0,0,0|2,0,0]=4 3172 B8R0.9 CCC(C)CNC(=O)C 1626a_100020588543_100015343762 [1,1,0,0,0,0|2,0,0]=4 3173 B8R0.9 CCC(C)CNC(=O)C 240690a_100020588543_100015343762 [1,1,0,0,0,0|2,0,0]=4 3174 B8R0.9 CCC(C)CNC(=O)C 527a_100020588543_100103153847 [1,1,0,0,0,0|2,0,0]=4 3175 B8R0.9 CCC(C)NCC(=O)N 2230a_100000209981_100000747473 [1,1,0,0,0,0|2,0,0]=4 3176 B8R0.9 CCC(C)NCC(=O)N 2230a_100000711301_100000758301 [1,1,0,0,0,0|2,0,0]=4 3177 B8R0.9 CCC(C)NCC(=O)O 269956a_100016091260_100000758301 [1,1,0,0,0,0|1,0,0]=3 3178 B8R0.9 CCC(C)OCC(=O)C 34a_100000211253_100011215416 [1,1,0,0,0,0|2,0,0]=4 3179 B8R0.9 CCC(C)OCC(=O)N 7a_100000210228_100000187820 [1,1,0,0,0,0|2,0,0]=4 3180 B8R0.9 CCC(C)SCC(=O)N 62a_100000747473_100000758301 [1,1,0,0,0,0|2,0,0]=4 3181 B8R0.9 CCC(C)SCC(=O)N 62a_100000758301_100000747473 [1,1,0,0,0,0|2,0,0]=4 3182 B8R0.9 CCC(C)SCC(=O)[O-] 62a_100000758301_100020667443 [1,1,0,0,0,0|1,0,1]=4 3183 B8R0.9 CCC(C)SCC(=O)[O-] 62a_100020667443_100000758301 [1,1,0,0,0,0|1,0,1]=4 3184 B8R0.9 CCC(O)CNC(=O)C 11a_100011218483_100015343762 [1,1,0,0,0,0|2,0,0]=4 3185 B8R0.9 CCC(O)CNC(=O)C 240690a_100011218483_100015343762 [1,1,0,0,0,0|2,0,0]=4 3186 B8R0.9 CCC(O)CNC(=O)C 527a_100011218483_100103153847 [1,1,0,0,0,0|2,0,0]=4 3187 B8R0.9 CCN(C)CCC(=O)C 1458a_100000755305_200000210301 [1,1,0,0,0,0|2,0,0]=4 3188 B8R0.9 CCN(C)CCC(=O)C 269982a_100000225621_100000053229 [1,1,0,0,0,0|2,0,0]=4 3189 B8R0.9 CCN(C)CCC(=O)N 2230a_100000225621_100000744528 [1,1,0,0,0,0|2,0,0]=4 3190 B8R0.9 CCN(C)CCC(=O)N 2230a_100000730477_100000210202 [1,1,0,0,0,0|2,0,0]=4 3191 B8R0.9 CCN(C)CCC(=O)N 2230a_100020645749_200000210301 [1,1,0,0,0,0|2,0,0]=4 3192 B8R0.9 CCN(C)CCC(=O)N 269982a_100000225621_100000744528 [1,1,0,0,0,0|2,0,0]=4 3193 B8R0.9 CCN(C)CCC(=O)[13CH3] 1458a_100000755305_200025704644 [1,1,0,0,0,0|2,0,0]=4 3194 B8R0.9 CCN([13CH3])CCC(=O)N 2230a_100020645749_200025704644 [1,1,0,0,0,0|2,0,0]=4 3195 B8R0.9 CCS(=O)CCC(=O)C 1458a_100011387550_200000210301 [1,1,0,0,0,0|2,0,0]=4 3196 B8R0.9 CCS(=O)CCC(=O)[13CH3] 1458a_100011387550_200025704644 [1,1,0,0,0,0|2,0,0]=4 3197 B8R0.9 COC(C)NCC(=O)O 269956a_100016091260_100009879195 [1,1,0,0,0,0|2,0,0]=4 3198 B8R0.9 C[C@H](CO)NCC(=O)O 269956a_100016091260_100016084084 [1,1,0,0,0,0|2,0,0]=4 3199 B8R0.28 C=C(C)CNCC(=O)O 269956a_100016091260_100000748629 [1,1,0,0,0,0|1,0,1]=4 3200 B8R0.28 CC(=O)CCCC(=O)C 1458a_100000070787_100011215641 [1,1,0,0,0,0|1,0,1]=4 3201 B8R0.28 CC(=O)CCCC(=O)N 1458a_100000070787_100102525003 [1,1,0,0,0,0|1,0,1]=4 3202 B8R0.28 CC(=O)CCCC(C)C 1458a_100000070787_100011214892 [1,1,0,0,0,0|1,0,0]=3 3203 B8R0.28 CC(=O)CCCC(C)C 1458a_100011216857_200000210301 [1,1,0,0,0,0|1,0,0]=3 3204 B8R0.28 CC(=O)CCCC(C)O 1458a_100000070787_200000718107 [1,1,0,0,0,0|1,0,0]=3 3205 B8R0.28 CC(=O)CCCN(C)C 1458a_100000070787_100000695564 [1,1,0,0,0,0|2,0,0]=4 3206 B8R0.28 CC(=O)CCCN(C)C 269982a_100102631434_100011215641 [1,1,0,0,0,0|2,0,0]=4 3207 B8R0.28 CC(=O)CCOC(C)C 1458a_100000070787_100000211751 [1,1,0,0,0,0|2,0,0]=4 3208 B8R0.28 CC(=O)CCOC(C)C 34a_100000759926_100000210206 [1,1,0,0,0,0|2,0,0]=4 3209 B8R0.28 CC(=O)CCOC(C)C 7a_100000759926_100000210206 [1,1,0,0,0,0|2,0,0]=4 3210 B8R0.28 CC(=O)CCSC(C)C 1458a_100000070787_100000730970 [1,1,0,0,0,0|2,0,0]=4 3211 B8R0.28 CC(=O)CCSC(C)C 62a_100000053229_100000210206 [1,1,0,0,0,0|2,0,0]=4 3212 B8R0.28 CC(=O)CCSC(C)C 62a_100000210206_100000053229 [1,1,0,0,0,0|2,0,0]=4 3213 B8R0.28 CC(=O)COCC(C)C 1458a_100011223364_200000210301 [1,1,0,0,0,0|2,0,0]=4 3214 B8R0.28 CC(=O)COCC(C)C 34a_100000211253_100000210624 [1,1,0,0,0,0|2,0,0]=4 3215 B8R0.28 CC(=O)COCC(C)O 34a_100000211253_100011218427 [1,1,0,0,0,0|2,0,0]=4 3216 B8R0.28 CC(=O)COC[C@@H](C)O 34a_100000211253_100009817552 [1,1,0,0,0,0|2,0,0]=4 3217 B8R0.28 CC(=O)NCCC(C)C 11a_100000210545_100015343762 [1,1,0,0,0,0|2,0,0]=4 3218 B8R0.28 CC(=O)NCCC(C)C 1626a_100000210545_100015343762 [1,1,0,0,0,0|2,0,0]=4 3219 B8R0.28 CC(=O)NCCC(C)C 240690a_100000210545_100015343762 [1,1,0,0,0,0|2,0,0]=4 3220 B8R0.28 CC(=O)NCCC(C)C 527a_100000210545_100103153847 [1,1,0,0,0,0|2,0,0]=4 3221 B8R0.28 CC(=O)NCCC(C)O 240690a_200000755665_100015343762 [1,1,0,0,0,0|2,0,0]=4 3222 B8R0.28 CC(=O)NCCC(C)O 527a_200000755665_100103153847 [1,1,0,0,0,0|2,0,0]=4 3223 B8R0.28 CC(Br)COCC(=O)N 34a_100012180447_100000187820 [1,1,0,0,0,0|2,0,0]=4 3224 B8R0.28 CC(Br)COCC(=O)[O-] 34a_100012180447_100020667443 [1,1,0,0,0,0|1,0,1]=4 3225 B8R0.28 CC(C)CCCC(=O)[13CH3] 1458a_100011216857_200025704644 [1,1,0,0,0,0|1,0,0]=3 3226 B8R0.28 CC(C)CNCC(=O)N 2230a_100000210953_100000747473 [1,1,0,0,0,0|2,0,0]=4 3227 B8R0.28 CC(C)CNCC(=O)N 2230a_100000711301_100000210760 [1,1,0,0,0,0|2,0,0]=4 3228 B8R0.28 CC(C)CNCC(=O)N 34a_100000210953_100000187820 [1,1,0,0,0,0|2,0,0]=4 3229 B8R0.28 CC(C)CNCC(=O)O 269956a_100016091260_100000210760 [1,1,0,0,0,0|1,0,0]=3 3230 B8R0.28 CC(C)CNCC(=O)[O-] 34a_100000210953_100020667443 [1,1,0,0,0,0|1,0,1]=4 3231 B8R0.28 CC(C)COCC(=O)N 34a_100000210257_100000187820 [1,1,0,0,0,0|2,0,0]=4 3232 B8R0.28 CC(C)COCC(=O)[13CH3] 1458a_100011223364_200025704644 [1,1,0,0,0,0|2,0,0]=4 3233 B8R0.28 CC(C)COCC(=O)[O-] 34a_100000210257_100020667443 [1,1,0,0,0,0|1,0,1]=4 3234 B8R0.28 CC(C)CSCC(=O)N 62a_100000210624_100000747473 [1,1,0,0,0,0|2,0,0]=4 3235 B8R0.28 CC(C)CSCC(=O)N 62a_100000747473_100000210760 [1,1,0,0,0,0|2,0,0]=4 3236 B8R0.28 CC(C)CSCC(=O)[O-] 62a_100000210624_100020667443 [1,1,0,0,0,0|1,0,1]=4 3237 B8R0.28 CC(C)CSCC(=O)[O-] 62a_100020667443_100000210760 [1,1,0,0,0,0|1,0,1]=4 3238 B8R0.28 CC(C)NCCC(=O)N 2230a_100138425928_100000744528 [1,1,0,0,0,0|2,0,0]=4 3239 B8R0.28 CC(C)NCCC(=O)N 34a_100138425928_100000731001 [1,1,0,0,0,0|2,0,0]=4 3240 B8R0.28 CC(C)NOCC(=O)O 269956a_100000106656_100000210206 [1,1,0,0,0,0|2,0,0]=4 3241 B8R0.28 CC(C)OCCC(=O)N 34a_100000212225_100000731001 [1,1,0,0,0,0|2,0,0]=4 3242 B8R0.28 CC(C)OCCC(=O)N 34a_100000757172_100000210206 [1,1,0,0,0,0|2,0,0]=4 3243 B8R0.28 CC(C)OCCC(=O)N 7a_100000757172_100000210206 [1,1,0,0,0,0|2,0,0]=4 3244 B8R0.28 CC(C)SCCC(=O)N 62a_100000210206_100000744528 [1,1,0,0,0,0|2,0,0]=4 3245 B8R0.28 CC(C)SCCC(=O)N 62a_100000744528_100000210206 [1,1,0,0,0,0|2,0,0]=4 3246 B8R0.28 CC(F)COCC(=O)N 34a_100015925927_100000187820 [1,1,0,0,0,0|2,0,0]=4 3247 B8R0.28 CC(F)COCC(=O)[O-] 34a_100015925927_100020667443 [1,1,0,0,0,0|1,0,1]=4 3248 B8R0.28 CC(O)CNCC(=O)N 2230a_100000210904_100000747473 [1,1,0,0,0,0|2,0,0]=4 3249 B8R0.28 CC(O)CNCC(=O)N 2230a_100000711301_100011218427 [1,1,0,0,0,0|2,0,0]=4 3250 B8R0.28 CC(O)CNCC(=O)N 34a_100000210904_100000187820 [1,1,0,0,0,0|2,0,0]=4 3251 B8R0.28 CC(O)CNCC(=O)O 269956a_100016091260_100011218427 [1,1,0,0,0,0|1,0,0]=3 3252 B8R0.28 CC(O)CNCC(=O)[O-] 34a_100000210904_100020667443 [1,1,0,0,0,0|1,0,1]=4 3253 B8R0.28 CC(O)CSCC(=O)N 62a_100000747473_100011218427 [1,1,0,0,0,0|2,0,0]=4 3254 B8R0.28 CC(O)CSCC(=O)N 62a_100011218427_100000747473 [1,1,0,0,0,0|2,0,0]=4 3255 B8R0.28 CC(O)CSCC(=O)[O-] 62a_100011218427_100020667443 [1,1,0,0,0,0|1,0,1]=4 3256 B8R0.28 CC(O)CSCC(=O)[O-] 62a_100020667443_100011218427 [1,1,0,0,0,0|1,0,1]=4 3257 B8R0.28 CN(C)CCCC(=O)N 269982a_100102631434_100102525003 [1,1,0,0,0,0|2,0,0]=4 3258 B8R0.28 CN(C)CCCC(=O)O 269956a_100000719178_200000210301 [1,1,0,0,0,0|1,0,0]=3 3259 B8R0.28 CN([13CH3])CCCC(=O)O 269956a_100000719178_200025704644 [1,1,0,0,0,0|1,0,0]=3 3260 B8R0.28 C[C@@H](Cl)COCC(=O)N 34a_100016084084_100000187820 [1,1,0,0,0,0|2,0,0]=4 3261 B8R0.28 C[C@@H](Cl)COCC(=O)[O-] 34a_100016084084_100020667443 [1,1,0,0,0,0|1,0,1]=4 3262 B8R0.28 C[C@@H](N)COCC(=O)N 34a_100000737577_100000187820 [1,1,0,0,0,0|2,0,0]=4 3263 B8R0.28 C[C@@H](N)COCC(=O)[O-] 34a_100000737577_100020667443 [1,1,0,0,0,0|1,0,1]=4 3264 B8R0.28 C[C@@H](O)CNCC(=O)N 2230a_100000711301_100009817552 [1,1,0,0,0,0|2,0,0]=4 3265 B8R0.28 C[C@@H](O)CNCC(=O)O 269956a_100016091260_100009817552 [1,1,0,0,0,0|1,0,0]=3 3266 B8R0.28 C[C@@H](O)CSCC(=O)N 62a_100000747473_100009817552 [1,1,0,0,0,0|2,0,0]=4 3267 B8R0.28 C[C@@H](O)CSCC(=O)N 62a_100009817552_100000747473 [1,1,0,0,0,0|2,0,0]=4 3268 B8R0.28 C[C@@H](O)CSCC(=O)[O-] 62a_100009817552_100020667443 [1,1,0,0,0,0|1,0,1]=4 3269 B8R0.28 C[C@@H](O)CSCC(=O)[O-] 62a_100020667443_100009817552 [1,1,0,0,0,0|1,0,1]=4 3270 B8R0.28 NC(=O)CNCC(=O)O 269956a_100016091260_100000187820 [1,1,0,0,0,0|1,0,1]=4 3271 B8R0.28 O=C(O)CNCC(F)F 269956a_100016091260_100011934356 [1,1,0,0,0,0|2,0,0]=4 3272 B10R0.3 C#CCN(C)CCCC(=O)O 269956a_100000719178_100000184674 [0,2,0,0,0,0|1,0,1]=4 3273 B10R0.3 C=C(C)COCC(C)CCN 34a_106354213184_100000748629 [0,2,0,0,0,0|2,0,0]=4 3274 B10R0.3 C=C(F)COCC(C)CCN 34a_106354213184_100009893438 [0,2,0,0,0,0|2,0,0]=4 3275 B10R0.3 C=CCN(C)CCCC(=O)O 269956a_100000719178_100000210623 [0,2,0,0,0,0|1,0,1]=4 3276 B10R0.3 CC(=O)CCCC(=O)CCO 1458a_100011216618_100011215641 [0,2,0,0,0,0|2,0,0]=4 3277 B10R0.3 CC(=O)CCCN(C)CCO 269982a_100000210263_100011215641 [0,2,0,0,0,0|2,0,0]=4 3278 B10R0.3 CC(=O)CCOC(C)CCO 34a_100000759926_100009893172 [0,2,0,0,0,0|2,0,0]=4 3279 B10R0.3 CC(=O)CCOC(C)CCO 7a_100000759926_100009893172 [0,2,0,0,0,0|2,0,0]=4 3280 B10R0.3 CC(=O)CCSC(C)CCO 62a_100000053229_100009893172 [0,2,0,0,0,0|2,0,0]=4 3281 B10R0.3 CC(=O)CCSC(C)CCO 62a_100009893172_100000053229 [0,2,0,0,0,0|2,0,0]=4 3282 B10R0.3 CC(CCBr)OCCC(=O)N 34a_100012276601_100000731001 [0,2,0,0,0,0|2,0,0]=4 3283 B10R0.3 CC(CCCC(=O)[O-])OCF 7a_100000761597_100015361967 [0,2,0,0,0,0|1,0,1]=4 3284 B10R0.3 CC(CCN)COCC(=O)N 34a_106354213184_100000187820 [0,2,0,0,0,0|1,0,0]=3 3285 B10R0.3 CC(CCN)COCC(=O)[O-] 34a_106354213184_100020667443 [0,2,0,0,0,0|0,0,1]=3 3286 B10R0.3 CC(CCN)COC[C@@H](C)O 34a_106354213184_100009817552 [0,2,0,0,0,0|1,0,1]=4 3287 B10R0.3 CC(CCN)COC[N+](=O)[O-] 34a_106354213184_100000761209 [0,2,0,0,0,0|1,0,1]=4 3288 B10R0.3 CC(CCO)NOCC(=O)O 269956a_100000106656_100009893172 [0,2,0,0,0,0|2,0,0]=4 3289 B10R0.3 CC(CCO)OCCC(=O)N 34a_100000757172_100009893172 [0,2,0,0,0,0|2,0,0]=4 3290 B10R0.3 CC(CCO)OCCC(=O)N 7a_100000757172_100009893172 [0,2,0,0,0,0|2,0,0]=4 3291 B10R0.3 CC(CCO)SCCC(=O)N 62a_100000744528_100009893172 [0,2,0,0,0,0|2,0,0]=4 3292 B10R0.3 CC(CCO)SCCC(=O)N 62a_100009893172_100000744528 [0,2,0,0,0,0|2,0,0]=4 3293 B10R0.3 CC(O)COCC(C)CCN 34a_106354213184_100011218427 [0,2,0,0,0,0|1,0,1]=4 3294 B10R0.3 CCCC(=O)CCCC(=O)C 1458a_100000211992_100011215641 [0,2,0,0,0,0|2,0,0]=4 3295 B10R0.3 CCCC(=O)CCCC(=O)N 1458a_100000211992_100102525003 [0,2,0,0,0,0|2,0,0]=4 3296 B10R0.3 CCCC(=O)CNCC(=O)O 269956a_100016091260_100000747444 [0,2,0,0,0,0|1,0,1]=4 3297 B10R0.3 CCCC(C)CNCC(=O)N 2230a_100000711301_100011216630 [0,2,0,0,0,0|2,0,0]=4 3298 B10R0.3 CCCC(C)CNCC(=O)O 269956a_100016091260_100011216630 [0,2,0,0,0,0|1,0,0]=3 3299 B10R0.3 CCCC(C)COCC(=O)C 34a_100000211253_100011216630 [0,2,0,0,0,0|2,0,0]=4 3300 B10R0.3 CCCC(C)COCC(=O)N 34a_100000688023_100000187820 [0,2,0,0,0,0|2,0,0]=4 3301 B10R0.3 CCCC(C)COCC(=O)N 7a_100000688023_100000187820 [0,2,0,0,0,0|2,0,0]=4 3302 B10R0.3 CCCC(C)COCC(=O)[O-] 34a_100000688023_100020667443 [0,2,0,0,0,0|1,0,1]=4 3303 B10R0.3 CCCC(C)CSCC(=O)N 62a_100000747473_100011216630 [0,2,0,0,0,0|2,0,0]=4 3304 B10R0.3 CCCC(C)CSCC(=O)N 62a_100011216630_100000747473 [0,2,0,0,0,0|2,0,0]=4 3305 B10R0.3 CCCC(C)CSCC(=O)[O-] 62a_100011216630_100020667443 [0,2,0,0,0,0|1,0,1]=4 3306 B10R0.3 CCCC(C)CSCC(=O)[O-] 62a_100020667443_100011216630 [0,2,0,0,0,0|1,0,1]=4 3307 B10R0.3 CCCC(C)NCCC(=O)N 2230a_100000741246_100000744528 [0,2,0,0,0,0|2,0,0]=4 3308 B10R0.3 CCCC(C)NOCC(=O)O 269956a_100000106656_100000766640 [0,2,0,0,0,0|2,0,0]=4 3309 B10R0.3 CCCC(C)OCCC(=O)C 34a_100000759926_100000766640 [0,2,0,0,0,0|2,0,0]=4 3310 B10R0.3 CCCC(C)OCCC(=O)C 7a_100000759926_100000766640 [0,2,0,0,0,0|2,0,0]=4 3311 B10R0.3 CCCC(C)OCCC(=O)C 7a_100000764384_100000053229 [0,2,0,0,0,0|2,0,0]=4 3312 B10R0.3 CCCC(C)OCCC(=O)N 34a_100000757172_100000766640 [0,2,0,0,0,0|2,0,0]=4 3313 B10R0.3 CCCC(C)OCCC(=O)N 34a_100000764384_100000731001 [0,2,0,0,0,0|2,0,0]=4 3314 B10R0.3 CCCC(C)OCCC(=O)N 7a_100000757172_100000766640 [0,2,0,0,0,0|2,0,0]=4 3315 B10R0.3 CCCC(C)OCCC(=O)N 7a_100000764384_100000744528 [0,2,0,0,0,0|2,0,0]=4 3316 B10R0.3 CCCC(C)SCCC(=O)C 62a_100000053229_100000766640 [0,2,0,0,0,0|2,0,0]=4 3317 B10R0.3 CCCC(C)SCCC(=O)C 62a_100000766640_100000053229 [0,2,0,0,0,0|2,0,0]=4 3318 B10R0.3 CCCC(C)SCCC(=O)N 62a_100000744528_100000766640 [0,2,0,0,0,0|2,0,0]=4 3319 B10R0.3 CCCC(C)SCCC(=O)N 62a_100000766640_100000744528 [0,2,0,0,0,0|2,0,0]=4 3320 B10R0.3 CCCN(C)CCCC(=O)C 269982a_100000747261_100011215641 [0,2,0,0,0,0|2,0,0]=4 3321 B10R0.3 CCCN(C)CCCC(=O)N 269982a_100000747261_100102525003 [0,2,0,0,0,0|2,0,0]=4 3322 B10R0.3 CCCN(C)CCCC(=O)O 269956a_100000719178_100000210207 [0,2,0,0,0,0|1,0,0]=3 3323 B10R0.3 CCC[C@H](N)COCC(=O)N 34a_100000732646_100000187820 [0,2,0,0,0,0|2,0,0]=4 3324 B10R0.3 CCC[C@H](N)COCC(=O)[O-] 34a_100000732646_100020667443 [0,2,0,0,0,0|1,0,1]=4 3325 B10R0.3 CCOC(C)CCCC(=O)[O-] 7a_100000761597_100000210202 [0,2,0,0,0,0|1,0,1]=4 3326 B10R0.3 CN(CC#N)CCCC(=O)O 269956a_100000719178_100011215382 [0,2,0,0,0,0|0,0,2]=4 3327 B10R0.3 CN(CC=O)CCCC(=O)O 269956a_100000719178_200015260668 [0,2,0,0,0,0|1,0,1]=4 3328 B10R0.3 CN(CCF)CCCC(=O)O 269956a_100000719178_100011217306 [0,2,0,0,0,0|1,0,0]=3 3329 B10R0.3 CN(CCO)CCCC(=O)N 269982a_100000210263_100102525003 [0,2,0,0,0,0|2,0,0]=4 3330 B10R0.3 CN(CCO)CCCC(=O)O 269956a_100000719178_100000211926 [0,2,0,0,0,0|1,0,0]=3 3331 B10R0.3 COCC(O)CNCC(=O)O 269956a_100016091260_100011215053 [0,2,0,0,0,0|2,0,0]=4 3332 B10R0.3 COCN(C)CCCC(=O)O 269956a_100000719178_100000766300 [0,2,0,0,0,0|2,0,0]=4 3333 B10R0.3 CSCN(C)CCCC(=O)O 269956a_100000719178_100011218213 [0,2,0,0,0,0|2,0,0]=4 3334 B10R0.3 C[C@H](CCO)NCCC(=O)N 2230a_100000706166_100000744528 [0,2,0,0,0,0|2,0,0]=4 3335 B10R0.3 C[C@H](CCO)NCCC(=O)N 34a_100000706166_100000731001 [0,2,0,0,0,0|2,0,0]=4 3336 B10R0.3 N#CC[C@H](O)CNCC(=O)O 269956a_100016091260_100000001066 [0,2,0,0,0,0|0,0,2]=4 3337 B10R0.3 NC(=O)CCCC(=O)CCO 1458a_100011216618_100102525003 [0,2,0,0,0,0|2,0,0]=4 3338 B10R0.44 CCC(C)CN(C)CC(=O)O 269956a_100000746989_100000748023 [0,2,0,0,0,0|2,0,0]=4 3339 B10R0.44 CCC(O)CN(C)CC(=O)O 269956a_100000746989_100011218378 [0,2,0,0,0,0|2,0,0]=4 3340 B10R0.44 CC[C@H](C)CN(C)CC(=O)O 269956a_100000746989_100009816398 [0,2,0,0,0,0|2,0,0]=4 3341 B10R0.44 CN(CC(=O)O)CC(O)CO 269956a_100000746989_100011219619 [0,2,0,0,0,0|2,0,0]=4 3342 B10R0.44 CN(CC(=O)O)C[C@@H](O)CF 269956a_100000746989_100015614560 [0,2,0,0,0,0|2,0,0]=4 3343 B10R0.44 CN(CC(=O)O)C[C@@H](O)CO 269956a_100000746989_100009815848 [0,2,0,0,0,0|2,0,0]=4 3344 B10R0.44 C[C@@H](CO)CN(C)CC(=O)O 269956a_100000746989_100000059175 [0,2,0,0,0,0|2,0,0]=4 3345 B10R0.59 CC(CO)CCNC(=O)CO 240690a_106354213184_100000210174 [0,2,0,0,0,0|2,0,0]=4 3346 B10R0.59 CC(CO)CCNC(=O)CO 527a_106354213184_100000210174 [0,2,0,0,0,0|2,0,0]=4 3347 B10R0.59 CCC(=O)CCCC(=O)OC 1458a_100000210414_100011218270 [0,2,0,0,0,0|1,0,1]=4 3348 B10R0.59 CCC(=O)CCCC(=O)OC 1458a_100000239890_100000210202 [0,2,0,0,0,0|1,0,1]=4 3349 B10R0.59 CCC(C)CCNC(=O)CO 240690a_100020591266_100000210174 [0,2,0,0,0,0|2,0,0]=4 3350 B10R0.59 CCC(C)CCNC(=O)CO 527a_100020591266_100000210174 [0,2,0,0,0,0|2,0,0]=4 3351 B10R0.59 CCC(C)CNCC(=O)OC 2230a_100020588543_100000747449 [0,2,0,0,0,0|2,0,0]=4 3352 B10R0.59 CCC(C)CSCC(=O)OC 62a_100000747449_100000748023 [0,2,0,0,0,0|2,0,0]=4 3353 B10R0.59 CCC(C)CSCC(=O)OC 62a_100000748023_100000747449 [0,2,0,0,0,0|2,0,0]=4 3354 B10R0.59 CCC(C)NCCC(=O)OC 2230a_100000209981_100000204255 [0,2,0,0,0,0|2,0,0]=4 3355 B10R0.59 CCC(C)OCCC(=O)OC 7a_100000210228_100000204255 [0,2,0,0,0,0|2,0,0]=4 3356 B10R0.59 CCC(C)SCCC(=O)OC 62a_100000204255_100000758301 [0,2,0,0,0,0|2,0,0]=4 3357 B10R0.59 CCC(C)SCCC(=O)OC 62a_100000758301_100000204255 [0,2,0,0,0,0|2,0,0]=4 3358 B10R0.59 CCC(O)CNCC(=O)OC 2230a_100011218483_100000747449 [0,2,0,0,0,0|2,0,0]=4 3359 B10R0.59 CCC(O)CSCC(=O)OC 62a_100000747449_100011218378 [0,2,0,0,0,0|2,0,0]=4 3360 B10R0.59 CCC(O)CSCC(=O)OC 62a_100011218378_100000747449 [0,2,0,0,0,0|2,0,0]=4 3361 B10R0.59 CCN(C)CCCC(=O)CO 1458a_100000210174_100015186262 [0,2,0,0,0,0|2,0,0]=4 3362 B10R0.59 CCN(C)CCCC(=O)OC 2230a_100000225621_100011218270 [0,2,0,0,0,0|2,0,0]=4 3363 B10R0.59 CCN(C)CCCC(=O)OC 269982a_100000225621_100011218270 [0,2,0,0,0,0|2,0,0]=4 3364 B10R0.59 CCN(C)CCCC(=O)OC 269982a_100000739225_100000204670 [0,2,0,0,0,0|2,0,0]=4 3365 B10R0.59 CC[C@H](C)COCC(=O)OC 7a_100009816381_100000747449 [0,2,0,0,0,0|2,0,0]=4 3366 B10R0.59 CC[C@H](C)CSCC(=O)OC 62a_100000747449_100009816398 [0,2,0,0,0,0|2,0,0]=4 3367 B10R0.59 CC[C@H](C)CSCC(=O)OC 62a_100009816398_100000747449 [0,2,0,0,0,0|2,0,0]=4 3368 B10R0.59 CNC(=O)CCOC(C)CN 34a_100000210904_100012179268 [0,2,0,0,0,0|2,0,0]=4 3369 B10R0.59 CNC(=O)COCC(C)CN 34a_100000744482_100000183359 [0,2,0,0,0,0|2,0,0]=4 3370 B10R0.59 CNC(=O)COC[C@H](F)CN 34a_100015665980_100000183359 [0,2,0,0,0,0|2,0,0]=4 3371 B10R0.59 COC(=O)CCCC(=O)CF 1458a_100000239890_100015361967 [0,2,0,0,0,0|1,0,1]=4 3372 B10R0.59 COC(=O)CCCC(=O)CO 1458a_100000210174_100011218270 [0,2,0,0,0,0|1,0,1]=4 3373 B10R0.59 COC(=O)CCCN(C)CF 269982a_100000739225_100015361967 [0,2,0,0,0,0|2,0,0]=4 3374 B10R0.59 COC(=O)CCN[C@H](C)CO 2230a_100000737577_100000204255 [0,2,0,0,0,0|2,0,0]=4 3375 B10R0.59 COC(=O)CCOC(C)CF 34a_100016041109_100000742370 [0,2,0,0,0,0|2,0,0]=4 3376 B10R0.59 COC(=O)CCOC(C)CF 7a_100016041109_100000204255 [0,2,0,0,0,0|2,0,0]=4 3377 B10R0.59 COC(=O)CCOC(C)CN 34a_100000210904_100000742370 [0,2,0,0,0,0|1,0,0]=3 3378 B10R0.59 COC(=O)CCSC(C)CO 62a_100012180447_100000204255 [0,2,0,0,0,0|2,0,0]=4 3379 B10R0.59 COC(=O)CCS[C@H](C)CO 62a_100000204255_100016084084 [0,2,0,0,0,0|2,0,0]=4 3380 B10R0.59 COC(=O)CCS[C@H](C)CO 62a_100016084084_100000204255 [0,2,0,0,0,0|2,0,0]=4 3381 B10R0.59 COC(=O)CNCC(C)CO 34a_100000744482_100000747449 [0,2,0,0,0,0|2,0,0]=4 3382 B10R0.59 COC(=O)CNC[C@@H](F)CO 34a_100015665980_100000747449 [0,2,0,0,0,0|2,0,0]=4 3383 B10R0.59 COC(=O)CNC[C@H](O)CO 2230a_100020644852_100000747449 [0,2,0,0,0,0|2,0,0]=4 3384 B10R0.59 COC(=O)COCC(C)CN 34a_100000744482_100000747449 [0,2,0,0,0,0|1,0,0]=3 3385 B10R0.59 COC(=O)COCC(Cl)CCl 34a_100000033668_100000747449 [0,2,0,0,0,0|2,0,0]=4 3386 B10R0.59 COC(=O)COC[C@H](F)CN 34a_100015665980_100000747449 [0,2,0,0,0,0|1,0,0]=3 3387 B10R0.59 COC(=O)CSCC(O)CO 62a_100000747449_100011219619 [0,2,0,0,0,0|2,0,0]=4 3388 B10R0.59 COC(=O)CSCC(O)CO 62a_100011219619_100000747449 [0,2,0,0,0,0|2,0,0]=4 3389 B10R0.59 COC(=O)CSC[C@@H](C)CO 62a_100000059175_100000747449 [0,2,0,0,0,0|2,0,0]=4 3390 B10R0.59 COC(=O)CSC[C@@H](C)CO 62a_100000747449_100000059175 [0,2,0,0,0,0|2,0,0]=4 3391 B10R0.59 COC(=O)CSC[C@@H](O)CF 62a_100000747449_100015614560 [0,2,0,0,0,0|2,0,0]=4 3392 B10R0.59 COC(=O)CSC[C@@H](O)CF 62a_100015614560_100000747449 [0,2,0,0,0,0|2,0,0]=4 3393 B10R0.59 COC(=O)CSC[C@@H](O)CO 62a_100000747449_100009815848 [0,2,0,0,0,0|2,0,0]=4 3394 B10R0.59 COC(=O)CSC[C@@H](O)CO 62a_100009815848_100000747449 [0,2,0,0,0,0|2,0,0]=4 3395 B10R0.65 CC(C)(CO)CNCC(=O)O 269956a_100016091260_100009813988 [0,2,0,0,0,0|2,0,0]=4 3396 B10R0.65 NCC(F)(F)COCC(=O)N 34a_100000703232_100000187820 [0,2,0,0,0,0|2,0,0]=4 3397 B10R0.65 NCC(F)(F)COCC(=O)[O-] 34a_100000703232_100020667443 [0,2,0,0,0,0|1,0,1]=4 3398 B10R0.77 CCC(CC)CNCC(=O)O 269956a_100016091260_100011215472 [0,2,0,0,0,0|2,0,0]=4 3399 B10R0.77 NCC(CN)OCCC(=O)N 34a_100000031598_100000731001 [0,2,0,0,0,0|2,0,0]=4 3400 B10R0.82 CC(CN)COC(C)C(=O)N 34a_100000744482_100000702099 [0,2,0,0,0,0|2,0,0]=4 3401 B10R0.82 CC(CN)COC(F)C(=O)N 34a_100000744482_100009813875 [0,2,0,0,0,0|2,0,0]=4 3402 B10R0.82 CC(CN)COC(F)C(=O)[O-] 34a_100000744482_100020610796 [0,2,0,0,0,0|1,0,1]=4 3403 B10R0.82 CC(CN[C@H](C)CO)C(=O)O 269956a_100000749485_100016084084 [0,2,0,0,0,0|2,0,0]=4 3404 B10R0.82 CC(OC[C@H](F)CN)C(=O)N 34a_100015665980_100000702099 [0,2,0,0,0,0|2,0,0]=4 3405 B10R0.82 CCC(C)CN[C@@H](C)C(=O)O 269956a_100000743915_100000748023 [0,2,0,0,0,0|2,0,0]=4 3406 B10R0.82 CCC(C)NCC(C)C(=O)O 269956a_100000749485_100000758301 [0,2,0,0,0,0|2,0,0]=4 3407 B10R0.82 CCC(C)NCC(F)C(=O)O 269956a_100000084737_100000758301 [0,2,0,0,0,0|2,0,0]=4 3408 B10R0.82 CCC(O)CN[C@@H](C)C(=O)O 269956a_100000743915_100011218378 [0,2,0,0,0,0|2,0,0]=4 3409 B10R0.82 CC[C@H](C)CN[C@@H](C)C(=O)O 269956a_100000743915_100009816398 [0,2,0,0,0,0|2,0,0]=4 3410 B10R0.82 C[C@@H](CO)CN[C@@H](C)C(=O)O 269956a_100000743915_100000059175 [0,2,0,0,0,0|2,0,0]=4 3411 B10R0.82 C[C@H](CO)NCC(F)C(=O)O 269956a_100000084737_100016084084 [0,2,0,0,0,0|2,0,0]=4 3412 B10R0.82 C[C@H](NCC(O)CO)C(=O)O 269956a_100000743915_100011219619 [0,2,0,0,0,0|2,0,0]=4 3413 B10R0.82 C[C@H](NC[C@@H](O)CF)C(=O)O 269956a_100000743915_100015614560 [0,2,0,0,0,0|2,0,0]=4 3414 B10R0.82 C[C@H](NC[C@@H](O)CO)C(=O)O 269956a_100000743915_100009815848 [0,2,0,0,0,0|2,0,0]=4 3415 B10R0.82 NC[C@@H](F)COC(F)C(=O)N 34a_100015665980_100009813875 [0,2,0,0,0,0|2,0,0]=4 3416 B10R0.82 NC[C@@H](F)COC(F)C(=O)[O-] 34a_100015665980_100020610796 [0,2,0,0,0,0|1,0,1]=4 3417 B10R0.98 CC(C)CCN[C@@H](C)C(=O)O 269956a_100000743915_100000210312 [0,2,0,0,0,0|2,0,0]=4 3418 B10R0.98 CC(C)CNCC(C)C(=O)O 269956a_100000749485_100000210760 [0,2,0,0,0,0|2,0,0]=4 3419 B10R0.98 CC(C)CNCC(F)C(=O)O 269956a_100000084737_100000210760 [0,2,0,0,0,0|2,0,0]=4 3420 B10R0.98 CC(C)N(C)CCCC(=O)O 269956a_100000719178_100000210206 [0,2,0,0,0,0|2,0,0]=4 3421 B10R0.98 CC(CNCC(=O)N)C(=O)O 269956a_100000749485_100000187820 [0,2,0,0,0,0|1,0,1]=4 3422 B10R0.98 CC(CNCC(F)F)C(=O)O 269956a_100000749485_100011934356 [0,2,0,0,0,0|2,0,0]=4 3423 B10R0.98 CC(CNC[C@@H](C)O)C(=O)O 269956a_100000749485_100009817552 [0,2,0,0,0,0|2,0,0]=4 3424 B10R0.98 CC(O)CCN[C@@H](C)C(=O)O 269956a_100000743915_100012276601 [0,2,0,0,0,0|2,0,0]=4 3425 B10R0.98 CC(O)CNCC(C)C(=O)O 269956a_100000749485_100011218427 [0,2,0,0,0,0|2,0,0]=4 3426 B10R0.98 CC(O)CNCC(F)C(=O)O 269956a_100000084737_100011218427 [0,2,0,0,0,0|2,0,0]=4 3427 B10R0.98 CC(OCC[C@@H](C)N)C(=O)N 34a_100000706166_100000702099 [0,2,0,0,0,0|2,0,0]=4 3428 B10R0.98 C[C@@H](N)CCOC(F)C(=O)N 34a_100000706166_100009813875 [0,2,0,0,0,0|2,0,0]=4 3429 B10R0.98 C[C@@H](N)CCOC(F)C(=O)[O-] 34a_100000706166_100020610796 [0,2,0,0,0,0|1,0,1]=4 3430 B10R0.98 C[C@@H](O)CNCC(F)C(=O)O 269956a_100000084737_100009817552 [0,2,0,0,0,0|2,0,0]=4 3431 B10R0.98 C[C@H](NCCC(=O)N)C(=O)O 269956a_100000743915_100000744528 [0,2,0,0,0,0|1,0,1]=4 3432 B10R0.98 NC(=O)CNCC(F)C(=O)O 269956a_100000084737_100000187820 [0,2,0,0,0,0|1,0,1]=4 3433 B10R0.98 O=C(O)C(F)CNCC(F)F 269956a_100000084737_100011934356 [0,2,0,0,0,0|2,0,0]=4 3434 B10R0.4 C#CCCCCCCC(=O)C 1458a_100000034748_200000210301 [0,2,0,0,0,0|2,0,0]=4 3435 B10R0.4 C#CCCCCCCC(=O)C 1458a_100000070787_100012276617 [0,2,0,0,0,0|2,0,0]=4 3436 B10R0.4 C#CCCCCCCC(=O)[13CH3] 1458a_100000034748_200025704644 [0,2,0,0,0,0|2,0,0]=4 3437 B10R0.4 C#CCCCCNCC(=O)N 2230a_100000706060_100000747473 [0,2,0,0,0,0|2,0,0]=4 3438 B10R0.4 C#CCCCCNCC(=O)N 2230a_100000711301_100010269958 [0,2,0,0,0,0|2,0,0]=4 3439 B10R0.4 C#CCCCCNCC(=O)N 34a_100000706060_100000187820 [0,2,0,0,0,0|2,0,0]=4 3440 B10R0.4 C#CCCCCNCC(=O)O 269956a_100016091260_100010269958 [0,2,0,0,0,0|1,0,0]=3 3441 B10R0.4 C#CCCCCNCC(=O)[O-] 34a_100000706060_100020667443 [0,2,0,0,0,0|1,0,1]=4 3442 B10R0.4 C#CCCCCOCC(=O)C 34a_100000211253_100010269958 [0,2,0,0,0,0|2,0,0]=4 3443 B10R0.4 C#CCCCCOCC(=O)N 34a_100000766709_100000187820 [0,2,0,0,0,0|2,0,0]=4 3444 B10R0.4 C#CCCCCOCC(=O)N 7a_100000766709_100000187820 [0,2,0,0,0,0|2,0,0]=4 3445 B10R0.4 C#CCCCCOCC(=O)[O-] 34a_100000766709_100020667443 [0,2,0,0,0,0|1,0,1]=4 3446 B10R0.4 C#CCCCCSCC(=O)N 62a_100000747473_100010269958 [0,2,0,0,0,0|2,0,0]=4 3447 B10R0.4 C#CCCCCSCC(=O)N 62a_100010269958_100000747473 [0,2,0,0,0,0|2,0,0]=4 3448 B10R0.4 C#CCCCCSCC(=O)[O-] 62a_100010269958_100020667443 [0,2,0,0,0,0|1,0,1]=4 3449 B10R0.4 C#CCCCCSCC(=O)[O-] 62a_100020667443_100010269958 [0,2,0,0,0,0|1,0,1]=4 3450 B10R0.4 C#CCCCNCCC(=O)N 34a_100000718082_100000731001 [0,2,0,0,0,0|2,0,0]=4 3451 B10R0.4 C#CCCCNOCC(=O)O 269956a_100000106656_100011215417 [0,2,0,0,0,0|1,0,1]=4 3452 B10R0.4 C#CCCCOCCC(=O)C 34a_100000759926_100000695029 [0,2,0,0,0,0|2,0,0]=4 3453 B10R0.4 C#CCCCOCCC(=O)C 7a_100000215630_100000053229 [0,2,0,0,0,0|2,0,0]=4 3454 B10R0.4 C#CCCCOCCC(=O)C 7a_100000759926_100011215417 [0,2,0,0,0,0|2,0,0]=4 3455 B10R0.4 C#CCCCOCCC(=O)N 34a_100000215630_100000731001 [0,2,0,0,0,0|2,0,0]=4 3456 B10R0.4 C#CCCCOCCC(=O)N 34a_100000757172_100000695029 [0,2,0,0,0,0|2,0,0]=4 3457 B10R0.4 C#CCCCOCCC(=O)N 7a_100000215630_100000744528 [0,2,0,0,0,0|2,0,0]=4 3458 B10R0.4 C#CCCCOCCC(=O)N 7a_100000757172_100011215417 [0,2,0,0,0,0|2,0,0]=4 3459 B10R0.4 C#CCCCSCCC(=O)C 62a_100000053229_100011215417 [0,2,0,0,0,0|2,0,0]=4 3460 B10R0.4 C#CCCCSCCC(=O)C 62a_100011215417_100000053229 [0,2,0,0,0,0|2,0,0]=4 3461 B10R0.4 C#CCCCSCCC(=O)N 62a_100000744528_100011215417 [0,2,0,0,0,0|2,0,0]=4 3462 B10R0.4 C#CCCCSCCC(=O)N 62a_100011215417_100000744528 [0,2,0,0,0,0|2,0,0]=4 3463 B10R0.4 C#CCCNCCCC(=O)C 34a_100000755551_100000685027 [0,2,0,0,0,0|2,0,0]=4 3464 B10R0.4 C#CCCNCCCC(=O)N 34a_100000739312_100000688953 [0,2,0,0,0,0|2,0,0]=4 3465 B10R0.4 C#CCCNCCCC(=O)N 34a_100000755551_100102525003 [0,2,0,0,0,0|2,0,0]=4 3466 B10R0.4 C#CCCOCCCC(=O)C 34a_100000759063_100000688953 [0,2,0,0,0,0|2,0,0]=4 3467 B10R0.4 C#CCCOCCCC(=O)C 34a_100011215631_100000685027 [0,2,0,0,0,0|2,0,0]=4 3468 B10R0.4 C#CCCOCCCC(=O)C 7a_100000759063_100000688953 [0,2,0,0,0,0|2,0,0]=4 3469 B10R0.4 C#CCCOCCCC(=O)N 34a_100011215631_100102525003 [0,2,0,0,0,0|2,0,0]=4 3470 B10R0.4 C#CCCSCCCC(=O)C 62a_100000688953_100011215641 [0,2,0,0,0,0|2,0,0]=4 3471 B10R0.4 C#CCCSCCCC(=O)C 62a_100011215641_100000688953 [0,2,0,0,0,0|2,0,0]=4 3472 B10R0.4 C#CCCSCCCC(=O)N 62a_100000688953_100102525003 [0,2,0,0,0,0|2,0,0]=4 3473 B10R0.4 C#CCCSCCCC(=O)N 62a_100102525003_100000688953 [0,2,0,0,0,0|2,0,0]=4 3474 B10R0.4 C#CCNCCCCC(=O)C 34a_100000212058_100009817362 [0,2,0,0,0,0|2,0,0]=4 3475 B10R0.4 C#CCNCCCCC(=O)N 34a_100000696515_100000184674 [0,2,0,0,0,0|2,0,0]=4 3476 B10R0.4 C#CCNCCOCC(=O)O 269956a_100000700818_100000184674 [0,2,0,0,0,0|1,0,1]=4 3477 B10R0.4 C#CCOCCCCC(=O)C 34a_100000210247_100009817362 [0,2,0,0,0,0|2,0,0]=4 3478 B10R0.4 C#CCOCCCCC(=O)N 34a_100012022536_100000184674 [0,2,0,0,0,0|2,0,0]=4 3479 B10R0.4 C#CCOCCCCC(=O)N 7a_100012022536_100000038162 [0,2,0,0,0,0|2,0,0]=4 3480 B10R0.4 C#CCOCCNCC(=O)O 269956a_100016091260_100010402529 [0,2,0,0,0,0|1,0,1]=4 3481 B10R0.4 C#CCSCCCCC(=O)C 62a_100000038162_100000735457 [0,2,0,0,0,0|2,0,0]=4 3482 B10R0.4 C=C(C)CCOCCCCN 34a_100000750430_100000730704 [0,2,0,0,0,0|2,0,0]=4 3483 B10R0.4 C=C(C)CCOCCCNC 34a_100000213112_100000730704 [0,2,0,0,0,0|2,0,0]=4 3484 B10R0.4 C=C(C)COCCCCCN 34a_100000762737_100000748629 [0,2,0,0,0,0|2,0,0]=4 3485 B10R0.4 C=C(C)COCCOCCN 34a_100000211614_100000748629 [0,2,0,0,0,0|2,0,0]=4 3486 B10R0.4 C=C(F)COCCCCCN 34a_100000762737_100009893438 [0,2,0,0,0,0|2,0,0]=4 3487 B10R0.4 C=C(F)COCCOCCN 34a_100000211614_100009893438 [0,2,0,0,0,0|2,0,0]=4 3488 B10R0.4 C=CCCCCCCC(=O)C 1458a_100000070787_100011215473 [0,2,0,0,0,0|2,0,0]=4 3489 B10R0.4 C=CCCCCCCC(=O)C 1458a_100011809334_200000210301 [0,2,0,0,0,0|2,0,0]=4 3490 B10R0.4 C=CCCCCCCC(=O)[13CH3] 1458a_100011809334_200025704644 [0,2,0,0,0,0|2,0,0]=4 3491 B10R0.4 C=CCCCCNCC(=O)N 2230a_100000703577_100000747473 [0,2,0,0,0,0|2,0,0]=4 3492 B10R0.4 C=CCCCCNCC(=O)N 2230a_100000711301_100011215482 [0,2,0,0,0,0|2,0,0]=4 3493 B10R0.4 C=CCCCCNCC(=O)N 34a_100000703577_100000187820 [0,2,0,0,0,0|2,0,0]=4 3494 B10R0.4 C=CCCCCNCC(=O)O 269956a_100016091260_100011215482 [0,2,0,0,0,0|1,0,0]=3 3495 B10R0.4 C=CCCCCNCC(=O)[O-] 34a_100000703577_100020667443 [0,2,0,0,0,0|1,0,1]=4 3496 B10R0.4 C=CCCCCOCC(=O)C 34a_100000211253_100011215482 [0,2,0,0,0,0|2,0,0]=4 3497 B10R0.4 C=CCCCCOCC(=O)N 34a_100000766645_100000187820 [0,2,0,0,0,0|2,0,0]=4 3498 B10R0.4 C=CCCCCOCC(=O)N 7a_100000766645_100000187820 [0,2,0,0,0,0|2,0,0]=4 3499 B10R0.4 C=CCCCCOCC(=O)[O-] 34a_100000766645_100020667443 [0,2,0,0,0,0|1,0,1]=4 3500 B10R0.4 C=CCCCCSCC(=O)N 62a_100000747473_100011215482 [0,2,0,0,0,0|2,0,0]=4 3501 B10R0.4 C=CCCCCSCC(=O)N 62a_100011215482_100000747473 [0,2,0,0,0,0|2,0,0]=4 3502 B10R0.4 C=CCCCCSCC(=O)[O-] 62a_100011215482_100020667443 [0,2,0,0,0,0|1,0,1]=4 3503 B10R0.4 C=CCCCCSCC(=O)[O-] 62a_100020667443_100011215482 [0,2,0,0,0,0|1,0,1]=4 3504 B10R0.4 C=CCCCNCCC(=O)N 2230a_100000700776_100000744528 [0,2,0,0,0,0|2,0,0]=4 3505 B10R0.4 C=CCCCNCCC(=O)N 34a_100000700776_100000731001 [0,2,0,0,0,0|2,0,0]=4 3506 B10R0.4 C=CCCCNOCC(=O)O 269956a_100000106656_100011713584 [0,2,0,0,0,0|1,0,1]=4 3507 B10R0.4 C=CCCCOCCC(=O)C 34a_100000759926_100000757094 [0,2,0,0,0,0|2,0,0]=4 3508 B10R0.4 C=CCCCOCCC(=O)C 7a_100000758997_100000053229 [0,2,0,0,0,0|2,0,0]=4 3509 B10R0.4 C=CCCCOCCC(=O)C 7a_100000759926_100000757094 [0,2,0,0,0,0|2,0,0]=4 3510 B10R0.4 C=CCCCOCCC(=O)N 34a_100000757172_100000757094 [0,2,0,0,0,0|2,0,0]=4 3511 B10R0.4 C=CCCCOCCC(=O)N 34a_100000758997_100000731001 [0,2,0,0,0,0|2,0,0]=4 3512 B10R0.4 C=CCCCOCCC(=O)N 7a_100000757172_100000757094 [0,2,0,0,0,0|2,0,0]=4 3513 B10R0.4 C=CCCCOCCC(=O)N 7a_100000758997_100000744528 [0,2,0,0,0,0|2,0,0]=4 3514 B10R0.4 C=CCCCSCCC(=O)C 62a_100000053229_100000757094 [0,2,0,0,0,0|2,0,0]=4 3515 B10R0.4 C=CCCCSCCC(=O)C 62a_100011713584_100000053229 [0,2,0,0,0,0|2,0,0]=4 3516 B10R0.4 C=CCCCSCCC(=O)N 62a_100000744528_100000757094 [0,2,0,0,0,0|2,0,0]=4 3517 B10R0.4 C=CCCCSCCC(=O)N 62a_100011713584_100000744528 [0,2,0,0,0,0|2,0,0]=4 3518 B10R0.4 C=CCCNCCCC(=O)N 34a_100000739312_100000754431 [0,2,0,0,0,0|2,0,0]=4 3519 B10R0.4 C=CCCOCCCC(=O)C 34a_100000759063_100000754431 [0,2,0,0,0,0|2,0,0]=4 3520 B10R0.4 C=CCCOCCCC(=O)C 34a_100011205117_100000685027 [0,2,0,0,0,0|2,0,0]=4 3521 B10R0.4 C=CCCOCCCC(=O)C 7a_100000759063_100000754431 [0,2,0,0,0,0|2,0,0]=4 3522 B10R0.4 C=CCCOCCCC(=O)N 34a_100011205117_100102525003 [0,2,0,0,0,0|2,0,0]=4 3523 B10R0.4 C=CCCSCCCC(=O)C 62a_100000754431_100011215641 [0,2,0,0,0,0|2,0,0]=4 3524 B10R0.4 C=CCCSCCCC(=O)C 62a_100011215641_100000754431 [0,2,0,0,0,0|2,0,0]=4 3525 B10R0.4 C=CCCSCCCC(=O)N 62a_100000754431_100102525003 [0,2,0,0,0,0|2,0,0]=4 3526 B10R0.4 C=CCCSCCCC(=O)N 62a_100102525003_100000754431 [0,2,0,0,0,0|2,0,0]=4 3527 B10R0.4 C=CCNCCCCC(=O)N 34a_100000696515_100015514636 [0,2,0,0,0,0|2,0,0]=4 3528 B10R0.4 C=CCNCCOCC(=O)O 269956a_100000700818_100000210623 [0,2,0,0,0,0|1,0,1]=4 3529 B10R0.4 C=CCOCCCCC(=O)C 34a_200000210373_100009817362 [0,2,0,0,0,0|2,0,0]=4 3530 B10R0.4 C=CCOCCCCC(=O)N 34a_100012022536_100015514636 [0,2,0,0,0,0|2,0,0]=4 3531 B10R0.4 C=CCOCCCCC(=O)N 7a_100012022536_100015514636 [0,2,0,0,0,0|2,0,0]=4 3532 B10R0.4 C=CCSCCCCC(=O)C 62a_100000210623_100000735457 [0,2,0,0,0,0|2,0,0]=4 3533 B10R0.4 C=CCSCCCCC(=O)C 62a_100000735457_100000210623 [0,2,0,0,0,0|2,0,0]=4 3534 B10R0.4 CC(=CCCOCCCN)C 34a_100000182051_100011217483 [0,2,0,0,0,0|2,0,0]=4 3535 B10R0.4 CC(=CCOCCCCN)C 34a_100000750430_100000761012 [0,2,0,0,0,0|2,0,0]=4 3536 B10R0.4 CC(=O)CCCCCCC#N 1458a_100000070787_100009813337 [0,2,0,0,0,0|1,0,1]=4 3537 B10R0.4 CC(=O)CCCCCCCO 1458a_100000070787_100000760002 [0,2,0,0,0,0|2,0,0]=4 3538 B10R0.4 CC(=O)CCCCCCCO 1458a_100011219782_200000210301 [0,2,0,0,0,0|2,0,0]=4 3539 B10R0.4 CC(=O)CCCCCN=[N+]=[N-] 1458a_100009870042_200000210301 [0,2,0,0,0,0|1,0,1]=4 3540 B10R0.4 CC(=O)CCCCNCCF 34a_100000724931_100009817362 [0,2,0,0,0,0|2,0,0]=4 3541 B10R0.4 CC(=O)CCCCNCCO 34a_100016990907_100009817362 [0,2,0,0,0,0|2,0,0]=4 3542 B10R0.4 CC(=O)CCCCOCCBr 34a_100000211926_100009817362 [0,2,0,0,0,0|2,0,0]=4 3543 B10R0.4 CC(=O)CCCCOCCN 34a_100000210304_100009817362 [0,2,0,0,0,0|1,0,0]=3 3544 B10R0.4 CC(=O)CCCCSCC#N 62a_100000735457_100011215382 [0,2,0,0,0,0|1,0,1]=4 3545 B10R0.4 CC(=O)CCCCSCC#N 62a_100011215382_100000735457 [0,2,0,0,0,0|1,0,1]=4 3546 B10R0.4 CC(=O)CCCCSCC=O 62a_100000735457_200015260668 [0,2,0,0,0,0|2,0,0]=4 3547 B10R0.4 CC(=O)CCCCSCC=O 62a_200015260668_100000735457 [0,2,0,0,0,0|2,0,0]=4 3548 B10R0.4 CC(=O)CCCCSCCF 62a_100000735457_100011217306 [0,2,0,0,0,0|2,0,0]=4 3549 B10R0.4 CC(=O)CCCCSCCF 62a_100011217306_100000735457 [0,2,0,0,0,0|2,0,0]=4 3550 B10R0.4 CC(=O)CCCCSCCO 62a_100000211926_100000735457 [0,2,0,0,0,0|2,0,0]=4 3551 B10R0.4 CC(=O)CCCCSCCO 62a_100000735457_100000211926 [0,2,0,0,0,0|2,0,0]=4 3552 B10R0.4 CC(=O)CCCNCCCF 34a_100015189416_100000685027 [0,2,0,0,0,0|2,0,0]=4 3553 B10R0.4 CC(=O)CCCOCCC#N 7a_100000759063_100000184422 [0,2,0,0,0,0|1,0,1]=4 3554 B10R0.4 CC(=O)CCCOCCCBr 34a_100011217188_100000685027 [0,2,0,0,0,0|2,0,0]=4 3555 B10R0.4 CC(=O)CCCOCCCCl 34a_100000230001_100000685027 [0,2,0,0,0,0|2,0,0]=4 3556 B10R0.4 CC(=O)CCCOCCCF 34a_100000759063_100011934791 [0,2,0,0,0,0|2,0,0]=4 3557 B10R0.4 CC(=O)CCCOCCCF 34a_100000759539_100000685027 [0,2,0,0,0,0|2,0,0]=4 3558 B10R0.4 CC(=O)CCCOCCCF 7a_100000759063_100011934791 [0,2,0,0,0,0|2,0,0]=4 3559 B10R0.4 CC(=O)CCCOCCCN 34a_100000182051_100000685027 [0,2,0,0,0,0|1,0,0]=3 3560 B10R0.4 CC(=O)CCCOCCCO 34a_100000759063_100000230001 [0,2,0,0,0,0|2,0,0]=4 3561 B10R0.4 CC(=O)CCCOCCCO 7a_100000759063_100011215043 [0,2,0,0,0,0|2,0,0]=4 3562 B10R0.4 CC(=O)CCCOCCON 34a_100000700252_100000685027 [0,2,0,0,0,0|1,0,0]=3 3563 B10R0.4 CC(=O)CCCSCCC#N 62a_100011215226_100011215641 [0,2,0,0,0,0|1,0,1]=4 3564 B10R0.4 CC(=O)CCCSCCC#N 62a_100011215641_100011215226 [0,2,0,0,0,0|1,0,1]=4 3565 B10R0.4 CC(=O)CCCSCCCF 62a_100011215641_100011934791 [0,2,0,0,0,0|2,0,0]=4 3566 B10R0.4 CC(=O)CCCSCCCF 62a_100011934791_100011215641 [0,2,0,0,0,0|2,0,0]=4 3567 B10R0.4 CC(=O)CCCSCCCO 62a_100011215043_100011215641 [0,2,0,0,0,0|2,0,0]=4 3568 B10R0.4 CC(=O)CCCSCCCO 62a_100011215641_100011215043 [0,2,0,0,0,0|2,0,0]=4 3569 B10R0.4 CC(=O)CCOCCCC#N 7a_100000759926_100000687738 [0,2,0,0,0,0|1,0,1]=4 3570 B10R0.4 CC(=O)CCOCCCC=O 7a_100000759926_200011292268 [0,2,0,0,0,0|2,0,0]=4 3571 B10R0.4 CC(=O)CCOCCCCCl 7a_100000210776_100000053229 [0,2,0,0,0,0|2,0,0]=4 3572 B10R0.4 CC(=O)CCOCCCCF 34a_100000759926_100000729493 [0,2,0,0,0,0|2,0,0]=4 3573 B10R0.4 CC(=O)CCOCCCCF 7a_100000759926_100000729493 [0,2,0,0,0,0|2,0,0]=4 3574 B10R0.4 CC(=O)CCOCCCCF 7a_100011995726_100000053229 [0,2,0,0,0,0|2,0,0]=4 3575 B10R0.4 CC(=O)CCOCCCCO 34a_100000759926_100011216708 [0,2,0,0,0,0|2,0,0]=4 3576 B10R0.4 CC(=O)CCOCCCCO 7a_100000759926_100000210776 [0,2,0,0,0,0|2,0,0]=4 3577 B10R0.4 CC(=O)CCSCCCC#N 62a_100000053229_100000687738 [0,2,0,0,0,0|1,0,1]=4 3578 B10R0.4 CC(=O)CCSCCCC#N 62a_100000687738_100000053229 [0,2,0,0,0,0|1,0,1]=4 3579 B10R0.4 CC(=O)CCSCCCC=O 62a_100000053229_200011292268 [0,2,0,0,0,0|2,0,0]=4 3580 B10R0.4 CC(=O)CCSCCCC=O 62a_200011292268_100000053229 [0,2,0,0,0,0|2,0,0]=4 3581 B10R0.4 CC(=O)CCSCCCCF 62a_100000053229_100000729493 [0,2,0,0,0,0|2,0,0]=4 3582 B10R0.4 CC(=O)CCSCCCCF 62a_100000729493_100000053229 [0,2,0,0,0,0|2,0,0]=4 3583 B10R0.4 CC(=O)CCSCCCCO 62a_100000053229_100000210776 [0,2,0,0,0,0|2,0,0]=4 3584 B10R0.4 CC(=O)CCSCCCCO 62a_100000210776_100000053229 [0,2,0,0,0,0|2,0,0]=4 3585 B10R0.4 CC(=O)COCCCCCF 34a_100000211253_100000729378 [0,2,0,0,0,0|2,0,0]=4 3586 B10R0.4 CC(=O)COCCCCCO 34a_100000211253_100000746330 [0,2,0,0,0,0|2,0,0]=4 3587 B10R0.4 CC(=O)COCCOCCO 1458a_106645077154_200000210301 [0,2,0,0,0,0|2,0,0]=4 3588 B10R0.4 CC(=O)COCCOCCO 34a_100000211253_100000692535 [0,2,0,0,0,0|2,0,0]=4 3589 B10R0.4 CC(=O)NCCCCCC#N 11a_100000061152_100015343762 [0,2,0,0,0,0|1,0,1]=4 3590 B10R0.4 CC(=O)NCCCCCC#N 1626a_100000061152_100015343762 [0,2,0,0,0,0|1,0,1]=4 3591 B10R0.4 CC(=O)NCCCCCC#N 240690a_100000061152_100015343762 [0,2,0,0,0,0|1,0,1]=4 3592 B10R0.4 CC(=O)NCCCCCC#N 527a_100000061152_100103153847 [0,2,0,0,0,0|1,0,1]=4 3593 B10R0.4 CC(=O)NCCCCCCO 240690a_100000686447_100015343762 [0,2,0,0,0,0|2,0,0]=4 3594 B10R0.4 CC(=O)NCCCCCCO 527a_100000686447_100103153847 [0,2,0,0,0,0|2,0,0]=4 3595 B10R0.4 CC(=O)NCCCCCN[13CH3] 2230a_200012022750_200025704644 [0,2,0,0,0,0|1,0,0]=3 3596 B10R0.4 CC(=O)NCCCCCN[13CH3] 34a_200012022750_200025704644 [0,2,0,0,0,0|1,0,0]=3 3597 B10R0.4 CC(=O)NCCCCNCF 34a_200011368371_100015361967 [0,2,0,0,0,0|2,0,0]=4 3598 B10R0.4 CC(=O)NCCCNCCF 34a_100000736810_100011217306 [0,2,0,0,0,0|2,0,0]=4 3599 B10R0.4 CC(=O)NCCCNCCO 34a_100000736810_100000211926 [0,2,0,0,0,0|2,0,0]=4 3600 B10R0.4 CC(=O)NCCCOCCF 34a_100000752032_100011217306 [0,2,0,0,0,0|2,0,0]=4 3601 B10R0.4 CC(=O)NCCCOCCO 34a_100000752032_100000211926 [0,2,0,0,0,0|2,0,0]=4 3602 B10R0.4 CC(=O)NCCNCCCF 2230a_100000209853_100011934791 [0,2,0,0,0,0|2,0,0]=4 3603 B10R0.4 CC(=O)NCCNCCCF 2230a_100015189416_100000189650 [0,2,0,0,0,0|2,0,0]=4 3604 B10R0.4 CC(=O)NCCNCCCO 2230a_100000209853_100000230001 [0,2,0,0,0,0|2,0,0]=4 3605 B10R0.4 CC(=O)NCCOCCCF 34a_100000158858_100011934791 [0,2,0,0,0,0|2,0,0]=4 3606 B10R0.4 CC(=O)NCCOCCCO 34a_100000158858_100000230001 [0,2,0,0,0,0|2,0,0]=4 3607 B10R0.4 CC(=O)NCCSCCCF 62a_100000189650_100011934791 [0,2,0,0,0,0|2,0,0]=4 3608 B10R0.4 CC(=O)NCCSCCCF 62a_100011934791_100000189650 [0,2,0,0,0,0|2,0,0]=4 3609 B10R0.4 CC(=O)NCCSCCCO 62a_100000189650_100011215043 [0,2,0,0,0,0|2,0,0]=4 3610 B10R0.4 CC(=O)NCCSCCCO 62a_100011215043_100000189650 [0,2,0,0,0,0|2,0,0]=4 3611 B10R0.4 CC(=O)OCCCCCS[13CH3] 62a_100000033007_200025704644 [0,2,0,0,0,0|2,0,0]=4 3612 B10R0.4 CC(=O)OCCCCCS[13CH3] 62a_200025704644_100000033007 [0,2,0,0,0,0|2,0,0]=4 3613 B10R0.4 CC(=O)OCCCCOCF 34a_100000073216_100015361967 [0,2,0,0,0,0|2,0,0]=4 3614 B10R0.4 CC(=O)OCCCCOCF 7a_100000073216_100015361967 [0,2,0,0,0,0|2,0,0]=4 3615 B10R0.4 CC(=O)OCCCCSCF 62a_100000033659_100015361967 [0,2,0,0,0,0|2,0,0]=4 3616 B10R0.4 CC(=O)OCCCCSCF 62a_100015361967_100000033659 [0,2,0,0,0,0|2,0,0]=4 3617 B10R0.4 CC(=O)OCCCNCCF 34a_100000724931_100000042594 [0,2,0,0,0,0|2,0,0]=4 3618 B10R0.4 CC(=O)OCCCNCCO 34a_100016990907_100000042594 [0,2,0,0,0,0|2,0,0]=4 3619 B10R0.4 CC(=O)OCCCOCCBr 34a_100000211926_100000042594 [0,2,0,0,0,0|2,0,0]=4 3620 B10R0.4 CC(=O)OCCCOCCN 34a_100000210304_100000042594 [0,2,0,0,0,0|1,0,0]=3 3621 B10R0.4 CC(=O)OCCCSCCF 62a_100000042594_100011217306 [0,2,0,0,0,0|2,0,0]=4 3622 B10R0.4 CC(=O)OCCCSCCF 62a_100011217306_100000042594 [0,2,0,0,0,0|2,0,0]=4 3623 B10R0.4 CC(=O)OCCCSCCO 62a_100000042594_100000211926 [0,2,0,0,0,0|2,0,0]=4 3624 B10R0.4 CC(=O)OCCCSCCO 62a_100000211926_100000042594 [0,2,0,0,0,0|2,0,0]=4 3625 B10R0.4 CC(=O)OCCNCCCF 34a_100015189416_100009814007 [0,2,0,0,0,0|2,0,0]=4 3626 B10R0.4 CC(=O)OCCOCCCBr 34a_100011217188_100009814007 [0,2,0,0,0,0|2,0,0]=4 3627 B10R0.4 CC(=O)OCCOCCCCl 34a_100000230001_100009814007 [0,2,0,0,0,0|2,0,0]=4 3628 B10R0.4 CC(=O)OCCOCCCF 34a_100000759539_100009814007 [0,2,0,0,0,0|2,0,0]=4 3629 B10R0.4 CC(=O)OCCOCCCN 34a_100000182051_100009814007 [0,2,0,0,0,0|1,0,0]=3 3630 B10R0.4 CC(=O)OCCOCCON 34a_100000700252_100009814007 [0,2,0,0,0,0|2,0,0]=4 3631 B10R0.4 CC(=O)OCCSCCCF 62a_100009814007_100011934791 [0,2,0,0,0,0|2,0,0]=4 3632 B10R0.4 CC(=O)OCCSCCCF 62a_100011934791_100009814007 [0,2,0,0,0,0|2,0,0]=4 3633 B10R0.4 CC(=O)OCCSCCCO 62a_100009814007_100011215043 [0,2,0,0,0,0|2,0,0]=4 3634 B10R0.4 CC(=O)OCCSCCCO 62a_100011215043_100009814007 [0,2,0,0,0,0|2,0,0]=4 3635 B10R0.4 CC(=O)OCNCCCCO 34a_100000750430_100009813279 [0,2,0,0,0,0|2,0,0]=4 3636 B10R0.4 CC(=O)OCOCCCCBr 34a_100011216708_100009813279 [0,2,0,0,0,0|2,0,0]=4 3637 B10R0.4 CC(=O)OCOCCCCCl 34a_100000210776_100009813279 [0,2,0,0,0,0|2,0,0]=4 3638 B10R0.4 CC(=O)OCOCCCCF 34a_100011995726_100009813279 [0,2,0,0,0,0|2,0,0]=4 3639 B10R0.4 CC(=O)OCOCCCCI 34a_200012148704_100009813279 [0,2,0,0,0,0|2,0,0]=4 3640 B10R0.4 CC(=O)OCOCCCCN 34a_100000750430_100009813279 [0,2,0,0,0,0|1,0,0]=3 3641 B10R0.4 CC(=O)OCSCCCCF 62a_100000076356_100000729493 [0,2,0,0,0,0|2,0,0]=4 3642 B10R0.4 CC(=O)OCSCCCCF 62a_100000729493_100000076356 [0,2,0,0,0,0|2,0,0]=4 3643 B10R0.4 CC(=O)OCSCCCCO 62a_100000076356_100000210776 [0,2,0,0,0,0|2,0,0]=4 3644 B10R0.4 CC(=O)OCSCCCCO 62a_100000210776_100000076356 [0,2,0,0,0,0|2,0,0]=4 3645 B10R0.4 CC(=O)SCCCCSCF 62a_100015361967_200010402107 [0,2,0,0,0,0|2,0,0]=4 3646 B10R0.4 CC(=O)SCCCCSCF 62a_200010402107_100015361967 [0,2,0,0,0,0|2,0,0]=4 3647 B10R0.4 CC(=O)SCCCNCCF 34a_100000724931_100000038929 [0,2,0,0,0,0|2,0,0]=4 3648 B10R0.4 CC(=O)SCCCNCCO 2230a_100016997473_100000038929 [0,2,0,0,0,0|2,0,0]=4 3649 B10R0.4 CC(=O)SCCCNCCO 34a_100016990907_100000038929 [0,2,0,0,0,0|2,0,0]=4 3650 B10R0.4 CC(=O)SCCCOCCBr 34a_100000211926_100000038929 [0,2,0,0,0,0|2,0,0]=4 3651 B10R0.4 CC(=O)SCCCOCCN 34a_100000210304_100000038929 [0,2,0,0,0,0|1,0,0]=3 3652 B10R0.4 CC(=O)SCCCSCCF 62a_100000038929_100011217306 [0,2,0,0,0,0|2,0,0]=4 3653 B10R0.4 CC(=O)SCCCSCCF 62a_100011217306_100000038929 [0,2,0,0,0,0|2,0,0]=4 3654 B10R0.4 CC(=O)SCCCSCCO 62a_100000038929_100000211926 [0,2,0,0,0,0|2,0,0]=4 3655 B10R0.4 CC(=O)SCCCSCCO 62a_100000211926_100000038929 [0,2,0,0,0,0|2,0,0]=4 3656 B10R0.4 CC(=S)OCCCOCCN 34a_100000210304_200135323944 [0,2,0,0,0,0|1,1,0]=4 3657 B10R0.4 CC(O)CCCOCCCN 34a_100000182051_200000718107 [0,2,0,0,0,0|1,0,1]=4 3658 B10R0.4 CC(O)CCCOCCON 34a_100000700252_200000718107 [0,2,0,0,0,0|1,0,1]=4 3659 B10R0.4 CC(O)CCOCCCCN 34a_100000750430_100012276601 [0,2,0,0,0,0|1,0,1]=4 3660 B10R0.4 CC(O)COCCCCCN 34a_100000762737_100011218427 [0,2,0,0,0,0|1,0,1]=4 3661 B10R0.4 CC(O)COCCOCCN 34a_100000211614_100011218427 [0,2,0,0,0,0|1,0,1]=4 3662 B10R0.4 CC/C=C\CCNCC(=O)O 269956a_100016091260_100015370543 [0,2,0,0,0,0|1,0,1]=4 3663 B10R0.4 CCCCC/C=C/CC(=O)C 1458a_100020675968_200000210301 [0,2,0,0,0,0|2,0,0]=4 3664 B10R0.4 CCCCC/C=C/CC(=O)[13CH3] 1458a_100020675968_200025704644 [0,2,0,0,0,0|2,0,0]=4 3665 B10R0.4 CCCCCC#CCC(=O)C 1458a_100000070787_100009816472 [0,2,0,0,0,0|2,0,0]=4 3666 B10R0.4 CCCCCCC=CC(=O)C 1458a_200015324643_200000210301 [0,2,0,0,0,0|2,0,0]=4 3667 B10R0.4 CCCCCCC=CC(=O)[13CH3] 1458a_200015324643_200025704644 [0,2,0,0,0,0|2,0,0]=4 3668 B10R0.4 CCCCCCCCC(=O)C 1458a_100000070787_100000210759 [0,2,0,0,0,0|2,0,0]=4 3669 B10R0.4 CCCCCCCCC(=O)C 1458a_100000210188_200000210301 [0,2,0,0,0,0|2,0,0]=4 3670 B10R0.4 CCCCCCCCC(=O)[13CH3] 1458a_100000210188_200025704644 [0,2,0,0,0,0|2,0,0]=4 3671 B10R0.4 CCCCCCCNC(=O)C 11a_100000229938_100015343762 [0,2,0,0,0,0|2,0,0]=4 3672 B10R0.4 CCCCCCCNC(=O)C 1626a_100000229938_100015343762 [0,2,0,0,0,0|2,0,0]=4 3673 B10R0.4 CCCCCCCNC(=O)C 240690a_100000229938_100015343762 [0,2,0,0,0,0|2,0,0]=4 3674 B10R0.4 CCCCCCCNC(=O)C 527a_100000229938_100103153847 [0,2,0,0,0,0|2,0,0]=4 3675 B10R0.4 CCCCCCNCC(=O)N 2230a_100000210581_100000747473 [0,2,0,0,0,0|2,0,0]=4 3676 B10R0.4 CCCCCCNCC(=O)N 2230a_100000711301_100000210314 [0,2,0,0,0,0|2,0,0]=4 3677 B10R0.4 CCCCCCNCC(=O)O 269956a_100016091260_100000210757 [0,2,0,0,0,0|1,0,0]=3 3678 B10R0.4 CCCCCCOCC(=O)C 34a_100000211253_100000210314 [0,2,0,0,0,0|2,0,0]=4 3679 B10R0.4 CCCCCCOCC(=O)N 34a_100000210259_100000187820 [0,2,0,0,0,0|2,0,0]=4 3680 B10R0.4 CCCCCCOCC(=O)N 7a_100000210259_100000187820 [0,2,0,0,0,0|2,0,0]=4 3681 B10R0.4 CCCCCCOCC(=O)[O-] 34a_100000210259_100020667443 [0,2,0,0,0,0|1,0,1]=4 3682 B10R0.4 CCCCCCSCC(=O)N 62a_100000210314_100000747473 [0,2,0,0,0,0|2,0,0]=4 3683 B10R0.4 CCCCCCSCC(=O)N 62a_100000747473_100000210757 [0,2,0,0,0,0|2,0,0]=4 3684 B10R0.4 CCCCCCSCC(=O)[O-] 62a_100000210314_100020667443 [0,2,0,0,0,0|1,0,1]=4 3685 B10R0.4 CCCCCCSCC(=O)[O-] 62a_100020667443_100000210757 [0,2,0,0,0,0|1,0,1]=4 3686 B10R0.4 CCCCCNCCC(=O)N 2230a_100000209983_100000744528 [0,2,0,0,0,0|2,0,0]=4 3687 B10R0.4 CCCCCNOCC(=O)O 269956a_100000106656_100000210326 [0,2,0,0,0,0|1,0,0]=3 3688 B10R0.4 CCCCCOCCC(=O)C 34a_100000759926_100000718602 [0,2,0,0,0,0|2,0,0]=4 3689 B10R0.4 CCCCCOCCC(=O)C 7a_100000210253_100000053229 [0,2,0,0,0,0|2,0,0]=4 3690 B10R0.4 CCCCCOCCC(=O)C 7a_100000759926_100000210326 [0,2,0,0,0,0|2,0,0]=4 3691 B10R0.4 CCCCCOCCC(=O)N 34a_100000210253_100000731001 [0,2,0,0,0,0|2,0,0]=4 3692 B10R0.4 CCCCCOCCC(=O)N 34a_100000757172_100000718602 [0,2,0,0,0,0|2,0,0]=4 3693 B10R0.4 CCCCCOCCC(=O)N 7a_100000210253_100000744528 [0,2,0,0,0,0|2,0,0]=4 3694 B10R0.4 CCCCCOCCC(=O)N 7a_100000757172_100000210326 [0,2,0,0,0,0|2,0,0]=4 3695 B10R0.4 CCCCCOCOC(=O)C 34a_100000210253_100009813279 [0,2,0,0,0,0|2,0,0]=4 3696 B10R0.4 CCCCCSCCC(=O)C 62a_100000053229_100000210326 [0,2,0,0,0,0|2,0,0]=4 3697 B10R0.4 CCCCCSCCC(=O)C 62a_100000210326_100000053229 [0,2,0,0,0,0|2,0,0]=4 3698 B10R0.4 CCCCCSCCC(=O)N 62a_100000210326_100000744528 [0,2,0,0,0,0|2,0,0]=4 3699 B10R0.4 CCCCCSCCC(=O)N 62a_100000744528_100000210326 [0,2,0,0,0,0|2,0,0]=4 3700 B10R0.4 CCCCCSCOC(=O)C 62a_100000076356_100000210326 [0,2,0,0,0,0|2,0,0]=4 3701 B10R0.4 CCCCCSCOC(=O)C 62a_100000210326_100000076356 [0,2,0,0,0,0|2,0,0]=4 3702 B10R0.4 CCCCNCCCC(=O)C 7a_106832991798_100011215641 [0,2,0,0,0,0|2,0,0]=4 3703 B10R0.4 CCCCNCCCC(=O)N 34a_100000739312_100000210210 [0,2,0,0,0,0|2,0,0]=4 3704 B10R0.4 CCCCNCCCC(=O)N 7a_106832991798_100102525003 [0,2,0,0,0,0|2,0,0]=4 3705 B10R0.4 CCCCNCCNC(=O)C 2230a_100000102301_100000189650 [0,2,0,0,0,0|2,0,0]=4 3706 B10R0.4 CCCCNCCNC(=O)C 2230a_100000209853_100000210211 [0,2,0,0,0,0|2,0,0]=4 3707 B10R0.4 CCCCNCCNC(=O)C 7a_106832991798_100000189650 [0,2,0,0,0,0|2,0,0]=4 3708 B10R0.4 CCCCNCCNC(=O)N 2230a_100000102301_200000034859 [0,2,0,0,0,0|2,0,0]=4 3709 B10R0.4 CCCCNCCNC(=O)N 34a_100020590234_100000210210 [0,2,0,0,0,0|2,0,0]=4 3710 B10R0.4 CCCCNCCNC(=O)N 7a_106832991798_200000034859 [0,2,0,0,0,0|2,0,0]=4 3711 B10R0.4 CCCCNCCOC(=O)C 7a_106832991798_100009814007 [0,2,0,0,0,0|2,0,0]=4 3712 B10R0.4 CCCCNCCOC(=O)N 7a_106832991798_200011214921 [0,2,0,0,0,0|2,0,0]=4 3713 B10R0.4 CCCCOCCCC(=O)C 34a_100000210227_100000685027 [0,2,0,0,0,0|2,0,0]=4 3714 B10R0.4 CCCCOCCCC(=O)C 34a_100000759063_100000210210 [0,2,0,0,0,0|2,0,0]=4 3715 B10R0.4 CCCCOCCCC(=O)C 7a_100000210227_100011215641 [0,2,0,0,0,0|2,0,0]=4 3716 B10R0.4 CCCCOCCCC(=O)C 7a_100000759063_100000210211 [0,2,0,0,0,0|2,0,0]=4 3717 B10R0.4 CCCCOCCCC(=O)N 34a_100000210227_100102525003 [0,2,0,0,0,0|2,0,0]=4 3718 B10R0.4 CCCCOCCCC(=O)N 7a_100000210227_100102525003 [0,2,0,0,0,0|2,0,0]=4 3719 B10R0.4 CCCCOCCNC(=O)C 34a_100000158858_100000210210 [0,2,0,0,0,0|2,0,0]=4 3720 B10R0.4 CCCCOCCNC(=O)C 7a_100000210227_100000189650 [0,2,0,0,0,0|2,0,0]=4 3721 B10R0.4 CCCCOCCNC(=O)N 34a_100000181757_100000210210 [0,2,0,0,0,0|2,0,0]=4 3722 B10R0.4 CCCCOCCNC(=O)N 7a_100000210227_200000034859 [0,2,0,0,0,0|2,0,0]=4 3723 B10R0.4 CCCCOCCOC(=O)C 34a_100000210227_100009814007 [0,2,0,0,0,0|2,0,0]=4 3724 B10R0.4 CCCCOCCOC(=O)C 7a_100000210227_100009814007 [0,2,0,0,0,0|2,0,0]=4 3725 B10R0.4 CCCCOCCOC(=O)N 34a_100000210227_200011214921 [0,2,0,0,0,0|2,0,0]=4 3726 B10R0.4 CCCCOCCOC(=O)N 7a_100000210227_200011214921 [0,2,0,0,0,0|2,0,0]=4 3727 B10R0.4 CCCCOCCOC(=O)N 7a_100000766696_100000210211 [0,2,0,0,0,0|2,0,0]=4 3728 B10R0.4 CCCCOCNCC(=O)N 2230a_100000711301_100011995733 [0,2,0,0,0,0|2,0,0]=4 3729 B10R0.4 CCCCOCNCC(=O)O 269956a_100016091260_100011995733 [0,2,0,0,0,0|1,0,0]=3 3730 B10R0.4 CCCCOCOCC(=O)C 34a_100000211253_100011995733 [0,2,0,0,0,0|2,0,0]=4 3731 B10R0.4 CCCCOCSCC(=O)N 62a_100000747473_100011995733 [0,2,0,0,0,0|2,0,0]=4 3732 B10R0.4 CCCCOCSCC(=O)N 62a_100011995733_100000747473 [0,2,0,0,0,0|2,0,0]=4 3733 B10R0.4 CCCCOCSCC(=O)[O-] 62a_100011995733_100020667443 [0,2,0,0,0,0|1,0,1]=4 3734 B10R0.4 CCCCOCSCC(=O)[O-] 62a_100020667443_100011995733 [0,2,0,0,0,0|1,0,1]=4 3735 B10R0.4 CCCCSCCCC(=O)C 62a_100000210211_100011215641 [0,2,0,0,0,0|2,0,0]=4 3736 B10R0.4 CCCCSCCCC(=O)C 62a_100011215641_100000210210 [0,2,0,0,0,0|2,0,0]=4 3737 B10R0.4 CCCCSCCCC(=O)N 62a_100000210211_100102525003 [0,2,0,0,0,0|2,0,0]=4 3738 B10R0.4 CCCCSCCCC(=O)N 62a_100102525003_100000210210 [0,2,0,0,0,0|2,0,0]=4 3739 B10R0.4 CCCCSCCNC(=O)C 11a_100025743550_100015343762 [0,2,0,0,0,0|2,0,0]=4 3740 B10R0.4 CCCCSCCNC(=O)C 1626a_100025743550_100015343762 [0,2,0,0,0,0|2,0,0]=4 3741 B10R0.4 CCCCSCCNC(=O)C 240690a_100025743550_100015343762 [0,2,0,0,0,0|2,0,0]=4 3742 B10R0.4 CCCCSCCNC(=O)C 527a_100025743550_100103153847 [0,2,0,0,0,0|2,0,0]=4 3743 B10R0.4 CCCCSCCNC(=O)C 62a_100000189650_100000210210 [0,2,0,0,0,0|2,0,0]=4 3744 B10R0.4 CCCCSCCNC(=O)C 62a_100000210211_100000189650 [0,2,0,0,0,0|2,0,0]=4 3745 B10R0.4 CCCCSCCNC(=O)N 62a_100000210211_200000034859 [0,2,0,0,0,0|2,0,0]=4 3746 B10R0.4 CCCCSCCNC(=O)N 62a_200000034859_100000210210 [0,2,0,0,0,0|2,0,0]=4 3747 B10R0.4 CCCCSCCOC(=O)C 62a_100000210211_100009814007 [0,2,0,0,0,0|2,0,0]=4 3748 B10R0.4 CCCCSCCOC(=O)C 62a_100009814007_100000210210 [0,2,0,0,0,0|2,0,0]=4 3749 B10R0.4 CCCCSCCOC(=O)N 62a_100000210211_200011214921 [0,2,0,0,0,0|2,0,0]=4 3750 B10R0.4 CCCCSCCOC(=O)N 62a_200011214921_100000210210 [0,2,0,0,0,0|2,0,0]=4 3751 B10R0.4 CCCNCCCCC(=O)N 34a_100000696515_100000210303 [0,2,0,0,0,0|2,0,0]=4 3752 B10R0.4 CCCNCCCNC(=O)C 34a_100000736810_100000210303 [0,2,0,0,0,0|2,0,0]=4 3753 B10R0.4 CCCNCCOCC(=O)O 269956a_100000700818_100000210207 [0,2,0,0,0,0|1,0,0]=3 3754 B10R0.4 CCCOCCCCC(=O)C 34a_100000210258_100009817362 [0,2,0,0,0,0|2,0,0]=4 3755 B10R0.4 CCCOCCCCC(=O)N 34a_100012022536_100000210303 [0,2,0,0,0,0|2,0,0]=4 3756 B10R0.4 CCCOCCCCC(=O)N 7a_100012022536_100000210303 [0,2,0,0,0,0|2,0,0]=4 3757 B10R0.4 CCCOCCCNC(=O)C 1626a_100011217757_100015343762 [0,2,0,0,0,0|2,0,0]=4 3758 B10R0.4 CCCOCCCNC(=O)C 240690a_100011217757_100015343762 [0,2,0,0,0,0|2,0,0]=4 3759 B10R0.4 CCCOCCCNC(=O)C 34a_100000752032_100000210303 [0,2,0,0,0,0|2,0,0]=4 3760 B10R0.4 CCCOCCCNC(=O)C 527a_100011217757_100103153847 [0,2,0,0,0,0|2,0,0]=4 3761 B10R0.4 CCCOCCCOC(=O)C 34a_100000210258_100000042594 [0,2,0,0,0,0|2,0,0]=4 3762 B10R0.4 CCCOCCCSC(=O)C 34a_100000210258_100000038929 [0,2,0,0,0,0|2,0,0]=4 3763 B10R0.4 CCCOCCNCC(=O)N 2230a_100000711301_100011215938 [0,2,0,0,0,0|2,0,0]=4 3764 B10R0.4 CCCOCCNCC(=O)N 2230a_100161115042_100000747473 [0,2,0,0,0,0|2,0,0]=4 3765 B10R0.4 CCCOCCNCC(=O)N 34a_100161115042_100000187820 [0,2,0,0,0,0|2,0,0]=4 3766 B10R0.4 CCCOCCNCC(=O)O 269956a_100016091260_100011215938 [0,2,0,0,0,0|1,0,0]=3 3767 B10R0.4 CCCOCCNCC(=O)[O-] 34a_100161115042_100020667443 [0,2,0,0,0,0|1,0,1]=4 3768 B10R0.4 CCCOCCOCC(=O)C 34a_100000211253_100011215938 [0,2,0,0,0,0|2,0,0]=4 3769 B10R0.4 CCCOCCOCC(=O)N 34a_100000210258_100000076697 [0,2,0,0,0,0|2,0,0]=4 3770 B10R0.4 CCCOCCOCC(=O)N 34a_100000752267_100000187820 [0,2,0,0,0,0|2,0,0]=4 3771 B10R0.4 CCCOCCOCC(=O)N 7a_100000752267_100000187820 [0,2,0,0,0,0|2,0,0]=4 3772 B10R0.4 CCCOCCOCC(=O)[O-] 34a_100000752267_100020667443 [0,2,0,0,0,0|1,0,1]=4 3773 B10R0.4 CCCOCCSCC(=O)N 62a_100000747473_100011215938 [0,2,0,0,0,0|2,0,0]=4 3774 B10R0.4 CCCOCCSCC(=O)N 62a_100011215938_100000747473 [0,2,0,0,0,0|2,0,0]=4 3775 B10R0.4 CCCOCCSCC(=O)[O-] 62a_100011215938_100020667443 [0,2,0,0,0,0|1,0,1]=4 3776 B10R0.4 CCCOCCSCC(=O)[O-] 62a_100020667443_100011215938 [0,2,0,0,0,0|1,0,1]=4 3777 B10R0.4 CCCSCCCCC(=O)C 62a_100000210303_100000735457 [0,2,0,0,0,0|2,0,0]=4 3778 B10R0.4 CCCSCCCCC(=O)C 62a_100000735457_100000210303 [0,2,0,0,0,0|2,0,0]=4 3779 B10R0.4 CCCSCCCOC(=O)C 62a_100000042594_100000210303 [0,2,0,0,0,0|2,0,0]=4 3780 B10R0.4 CCCSCCCOC(=O)C 62a_100000210303_100000042594 [0,2,0,0,0,0|2,0,0]=4 3781 B10R0.4 CCCSCCCSC(=O)C 62a_100000038929_100000210303 [0,2,0,0,0,0|2,0,0]=4 3782 B10R0.4 CCCSCCCSC(=O)C 62a_100000210303_100000038929 [0,2,0,0,0,0|2,0,0]=4 3783 B10R0.4 CCCSCCNCC(=O)N 2230a_100020603323_100000747473 [0,2,0,0,0,0|2,0,0]=4 3784 B10R0.4 CCCSCCOCC(=O)N 34a_200000230433_100000187820 [0,2,0,0,0,0|2,0,0]=4 3785 B10R0.4 CCCSCCOCC(=O)N 62a_100000076697_100000210303 [0,2,0,0,0,0|2,0,0]=4 3786 B10R0.4 CCCSCCOCC(=O)N 62a_100000210303_100000076697 [0,2,0,0,0,0|2,0,0]=4 3787 B10R0.4 CCCSCCOCC(=O)N 7a_200000230433_100000187820 [0,2,0,0,0,0|2,0,0]=4 3788 B10R0.4 CCCSCCOCC(=O)[O-] 34a_200000230433_100020667443 [0,2,0,0,0,0|1,0,1]=4 3789 B10R0.4 CCNCCCCCB(O)O 2230a_100015525214_200009817188 [0,2,0,0,0,0|1,0,1]=4 3790 B10R0.4 CCNCCCCCC(=O)N 2230a_100015525214_100009817443 [0,2,0,0,0,0|1,0,0]=3 3791 B10R0.4 CCNCCCCNC(=O)C 2230a_200011368371_100000210202 [0,2,0,0,0,0|2,0,0]=4 3792 B10R0.4 CCNCCCCNC(=O)C 34a_200011368371_100000210202 [0,2,0,0,0,0|2,0,0]=4 3793 B10R0.4 CCNCCCCSC(=O)C 2230a_100015525214_200010402107 [0,2,0,0,0,0|2,0,0]=4 3794 B10R0.4 CCOCCCCCC(=O)N 34a_100000123541_100000210202 [0,2,0,0,0,0|2,0,0]=4 3795 B10R0.4 CCOCCCCCC(=O)N 34a_100121572206_100009817443 [0,2,0,0,0,0|2,0,0]=4 3796 B10R0.4 CCOCCCCCC(=O)N 7a_100000123541_100000210202 [0,2,0,0,0,0|2,0,0]=4 3797 B10R0.4 CCOCCCCCC(=O)[O-] 7a_100102619762_100000210202 [0,2,0,0,0,0|1,0,1]=4 3798 B10R0.4 CCOCCCCOC(=O)C 34a_100000073216_100000210202 [0,2,0,0,0,0|2,0,0]=4 3799 B10R0.4 CCOCCCCOC(=O)C 34a_100121572206_100000033659 [0,2,0,0,0,0|2,0,0]=4 3800 B10R0.4 CCOCCCCOC(=O)C 7a_100000073216_100000210202 [0,2,0,0,0,0|2,0,0]=4 3801 B10R0.4 CCOCCCCSC(=O)C 34a_100121572206_200010402107 [0,2,0,0,0,0|2,0,0]=4 3802 B10R0.4 CCOCCCNCC(=O)N 2230a_100000210961_100000747473 [0,2,0,0,0,0|2,0,0]=4 3803 B10R0.4 CCOCCCNCC(=O)N 2230a_100000711301_100012232248 [0,2,0,0,0,0|2,0,0]=4 3804 B10R0.4 CCOCCCNCC(=O)N 34a_100000210961_100000187820 [0,2,0,0,0,0|2,0,0]=4 3805 B10R0.4 CCOCCCNCC(=O)O 269956a_100016091260_100012232248 [0,2,0,0,0,0|1,0,0]=3 3806 B10R0.4 CCOCCCNCC(=O)[O-] 34a_100000210961_100020667443 [0,2,0,0,0,0|1,0,1]=4 3807 B10R0.4 CCOCCCOCC(=O)C 34a_100000211253_100012232248 [0,2,0,0,0,0|2,0,0]=4 3808 B10R0.4 CCOCCCOCC(=O)N 34a_100000757476_100000187820 [0,2,0,0,0,0|2,0,0]=4 3809 B10R0.4 CCOCCCOCC(=O)N 7a_100000757476_100000187820 [0,2,0,0,0,0|2,0,0]=4 3810 B10R0.4 CCOCCCOCC(=O)[O-] 34a_100000757476_100020667443 [0,2,0,0,0,0|1,0,1]=4 3811 B10R0.4 CCOCCCSCC(=O)N 62a_100000747473_100012232248 [0,2,0,0,0,0|2,0,0]=4 3812 B10R0.4 CCOCCCSCC(=O)N 62a_100012232248_100000747473 [0,2,0,0,0,0|2,0,0]=4 3813 B10R0.4 CCOCCCSCC(=O)[O-] 62a_100012232248_100020667443 [0,2,0,0,0,0|1,0,1]=4 3814 B10R0.4 CCOCCCSCC(=O)[O-] 62a_100020667443_100012232248 [0,2,0,0,0,0|1,0,1]=4 3815 B10R0.4 CCOCCNCCC(=O)N 2230a_102516460346_100000744528 [0,2,0,0,0,0|2,0,0]=4 3816 B10R0.4 CCOCCNCCC(=O)N 34a_102516460346_100000731001 [0,2,0,0,0,0|2,0,0]=4 3817 B10R0.4 CCOCCNOCC(=O)O 269956a_100000106656_100000210147 [0,2,0,0,0,0|2,0,0]=4 3818 B10R0.4 CCOCCOCCC(=O)C 1458a_100000070787_100011211534 [0,2,0,0,0,0|2,0,0]=4 3819 B10R0.4 CCOCCOCCC(=O)C 34a_100000759926_100000210147 [0,2,0,0,0,0|2,0,0]=4 3820 B10R0.4 CCOCCOCCC(=O)C 7a_100000210136_100000053229 [0,2,0,0,0,0|2,0,0]=4 3821 B10R0.4 CCOCCOCCC(=O)C 7a_100000759926_100011215890 [0,2,0,0,0,0|2,0,0]=4 3822 B10R0.4 CCOCCOCCC(=O)N 34a_100000210136_100000731001 [0,2,0,0,0,0|2,0,0]=4 3823 B10R0.4 CCOCCOCCC(=O)N 34a_100000757172_100000210147 [0,2,0,0,0,0|2,0,0]=4 3824 B10R0.4 CCOCCOCCC(=O)N 7a_100000210136_100000744528 [0,2,0,0,0,0|2,0,0]=4 3825 B10R0.4 CCOCCOCCC(=O)N 7a_100000757172_100011215890 [0,2,0,0,0,0|2,0,0]=4 3826 B10R0.4 CCOCCSCCC(=O)C 62a_100000053229_100011215890 [0,2,0,0,0,0|2,0,0]=4 3827 B10R0.4 CCOCCSCCC(=O)C 62a_100000210147_100000053229 [0,2,0,0,0,0|2,0,0]=4 3828 B10R0.4 CCOCCSCCC(=O)N 62a_100000210147_100000744528 [0,2,0,0,0,0|2,0,0]=4 3829 B10R0.4 CCOCCSCCC(=O)N 62a_100000744528_100011215890 [0,2,0,0,0,0|2,0,0]=4 3830 B10R0.4 CCOCSCCCC(=O)C 62a_100000739092_100011215641 [0,2,0,0,0,0|2,0,0]=4 3831 B10R0.4 CCOCSCCCC(=O)C 62a_100011215641_100000739092 [0,2,0,0,0,0|2,0,0]=4 3832 B10R0.4 CCOCSCCCC(=O)N 62a_100000739092_100102525003 [0,2,0,0,0,0|2,0,0]=4 3833 B10R0.4 CCOCSCCCC(=O)N 62a_100102525003_100000739092 [0,2,0,0,0,0|2,0,0]=4 3834 B10R0.4 CCSCCCCCC(=O)N 62a_100000210202_100009817443 [0,2,0,0,0,0|2,0,0]=4 3835 B10R0.4 CCSCCCCCC(=O)N 62a_100009817443_100000210202 [0,2,0,0,0,0|2,0,0]=4 3836 B10R0.4 CCSCCCCOC(=O)C 62a_100000033659_100000210202 [0,2,0,0,0,0|2,0,0]=4 3837 B10R0.4 CCSCCCCOC(=O)C 62a_100000210202_100000033659 [0,2,0,0,0,0|2,0,0]=4 3838 B10R0.4 CCSCCCCSC(=O)C 62a_100000210202_200010402107 [0,2,0,0,0,0|2,0,0]=4 3839 B10R0.4 CCSCCCCSC(=O)C 62a_200010402107_100000210202 [0,2,0,0,0,0|2,0,0]=4 3840 B10R0.4 CCSCCCOCC(=O)N 34a_100011216438_100000187820 [0,2,0,0,0,0|2,0,0]=4 3841 B10R0.4 CCSCCCOCC(=O)N 7a_100011216438_100000187820 [0,2,0,0,0,0|2,0,0]=4 3842 B10R0.4 CCSCCCOCC(=O)[O-] 34a_100011216438_100020667443 [0,2,0,0,0,0|1,0,1]=4 3843 B10R0.4 CCSCCNCCC(=O)N 2230a_100000106463_100000744528 [0,2,0,0,0,0|2,0,0]=4 3844 B10R0.4 CCSCCNOCC(=O)O 269956a_100000106656_100000757381 [0,2,0,0,0,0|2,0,0]=4 3845 B10R0.4 CCSCCOCCC(=O)C 34a_100000759926_100000757381 [0,2,0,0,0,0|2,0,0]=4 3846 B10R0.4 CCSCCOCCC(=O)C 7a_100000212035_100000053229 [0,2,0,0,0,0|2,0,0]=4 3847 B10R0.4 CCSCCOCCC(=O)C 7a_100000759926_100000757381 [0,2,0,0,0,0|2,0,0]=4 3848 B10R0.4 CCSCCOCCC(=O)N 34a_100000212035_100000731001 [0,2,0,0,0,0|2,0,0]=4 3849 B10R0.4 CCSCCOCCC(=O)N 34a_100000757172_100000757381 [0,2,0,0,0,0|2,0,0]=4 3850 B10R0.4 CCSCCOCCC(=O)N 7a_100000212035_100000744528 [0,2,0,0,0,0|2,0,0]=4 3851 B10R0.4 CCSCCOCCC(=O)N 7a_100000757172_100000757381 [0,2,0,0,0,0|2,0,0]=4 3852 B10R0.4 CCSCCSCCC(=O)C 62a_100000053229_100000757381 [0,2,0,0,0,0|2,0,0]=4 3853 B10R0.4 CCSCCSCCC(=O)C 62a_100000757381_100000053229 [0,2,0,0,0,0|2,0,0]=4 3854 B10R0.4 CCSCCSCCC(=O)N 62a_100000744528_100000757381 [0,2,0,0,0,0|2,0,0]=4 3855 B10R0.4 CCSCCSCCC(=O)N 62a_100000757381_100000744528 [0,2,0,0,0,0|2,0,0]=4 3856 B10R0.4 CNCCCCCCB(O)O 2230a_106832991635_100009817187 [0,2,0,0,0,0|1,0,1]=4 3857 B10R0.4 CNCCCCCCB(O)O 34a_100102657272_100009817187 [0,2,0,0,0,0|1,0,1]=4 3858 B10R0.4 CNCCCCCCB(O)O 7a_106832991635_100009817187 [0,2,0,0,0,0|1,0,1]=4 3859 B10R0.4 CNCCCCCNC(=O)C 2230a_200012022750_200000210301 [0,2,0,0,0,0|1,0,0]=3 3860 B10R0.4 CNCCCCCNC(=O)C 34a_200012022750_200000210301 [0,2,0,0,0,0|1,0,0]=3 3861 B10R0.4 CNCCCCCOC(=O)C 2230a_106832991635_100009813381 [0,2,0,0,0,0|1,0,0]=3 3862 B10R0.4 CNCCCCCOC(=O)C 34a_100102657272_100000033007 [0,2,0,0,0,0|1,0,0]=3 3863 B10R0.4 CNCCCCCOC(=O)C 7a_106832991635_100000033007 [0,2,0,0,0,0|1,0,0]=3 3864 B10R0.4 CNCCCOCCC(=O)N 34a_100000213112_100000731001 [0,2,0,0,0,0|1,0,0]=3 3865 B10R0.4 CNCCCOCCC(C)O 34a_100000213112_100012276601 [0,2,0,0,0,0|1,0,1]=4 3866 B10R0.4 CNCCCOCOC(=O)C 34a_100000213112_100009813279 [0,2,0,0,0,0|2,0,0]=4 3867 B10R0.4 CNCCOCCOC(=O)C 2230a_106832991635_200000083610 [0,2,0,0,0,0|2,0,0]=4 3868 B10R0.4 CNCCOCCOC(=O)C 34a_100102657272_200000083610 [0,2,0,0,0,0|2,0,0]=4 3869 B10R0.4 CNCCOCCOC(=O)C 7a_106832991635_200000083610 [0,2,0,0,0,0|2,0,0]=4 3870 B10R0.4 COCCCCCCC(=O)C 1458a_100000070787_100011998445 [0,2,0,0,0,0|2,0,0]=4 3871 B10R0.4 COCCCCCNC(=O)C 11a_100000747528_100015343762 [0,2,0,0,0,0|2,0,0]=4 3872 B10R0.4 COCCCCCNC(=O)C 1626a_100000747528_100015343762 [0,2,0,0,0,0|2,0,0]=4 3873 B10R0.4 COCCCCCNC(=O)C 240690a_100000747528_100015343762 [0,2,0,0,0,0|2,0,0]=4 3874 B10R0.4 COCCCCCNC(=O)C 527a_100000747528_100103153847 [0,2,0,0,0,0|2,0,0]=4 3875 B10R0.4 COCCCCCOC(=O)C 34a_100138415774_100000033007 [0,2,0,0,0,0|2,0,0]=4 3876 B10R0.4 COCCCCNCC(=O)N 2230a_100000711301_100000730899 [0,2,0,0,0,0|2,0,0]=4 3877 B10R0.4 COCCCCNCC(=O)O 269956a_100016091260_100000730899 [0,2,0,0,0,0|1,0,0]=3 3878 B10R0.4 COCCCCOCC(=O)C 34a_100000211253_100000755781 [0,2,0,0,0,0|2,0,0]=4 3879 B10R0.4 COCCCCOCC(=O)N 34a_100000740925_100000187820 [0,2,0,0,0,0|2,0,0]=4 3880 B10R0.4 COCCCCOCC(=O)[O-] 34a_100000740925_100020667443 [0,2,0,0,0,0|1,0,1]=4 3881 B10R0.4 COCCCCSCC(=O)N 62a_100000730899_100000747473 [0,2,0,0,0,0|2,0,0]=4 3882 B10R0.4 COCCCCSCC(=O)N 62a_100000747473_100000730899 [0,2,0,0,0,0|2,0,0]=4 3883 B10R0.4 COCCCCSCC(=O)[O-] 62a_100000730899_100020667443 [0,2,0,0,0,0|1,0,1]=4 3884 B10R0.4 COCCCCSCC(=O)[O-] 62a_100020667443_100000730899 [0,2,0,0,0,0|1,0,1]=4 3885 B10R0.4 COCCCNCCC(=O)N 34a_100150723488_100000731001 [0,2,0,0,0,0|2,0,0]=4 3886 B10R0.4 COCCCNOCC(=O)O 269956a_100000106656_100000740836 [0,2,0,0,0,0|2,0,0]=4 3887 B10R0.4 COCCCOCCC(=O)C 34a_100000759926_100000740836 [0,2,0,0,0,0|2,0,0]=4 3888 B10R0.4 COCCCOCCC(=O)C 7a_100000759926_100000740836 [0,2,0,0,0,0|2,0,0]=4 3889 B10R0.4 COCCCOCCC(=O)N 34a_100000740835_100000731001 [0,2,0,0,0,0|2,0,0]=4 3890 B10R0.4 COCCCOCCC(=O)N 34a_100000757172_100000740836 [0,2,0,0,0,0|2,0,0]=4 3891 B10R0.4 COCCCOCCC(=O)N 7a_100000757172_100000740836 [0,2,0,0,0,0|2,0,0]=4 3892 B10R0.4 COCCCSCCC(=O)C 62a_100000053229_100000709357 [0,2,0,0,0,0|2,0,0]=4 3893 B10R0.4 COCCCSCCC(=O)C 62a_100000709357_100000053229 [0,2,0,0,0,0|2,0,0]=4 3894 B10R0.4 COCCCSCCC(=O)N 62a_100000709357_100000744528 [0,2,0,0,0,0|2,0,0]=4 3895 B10R0.4 COCCCSCCC(=O)N 62a_100000744528_100000709357 [0,2,0,0,0,0|2,0,0]=4 3896 B10R0.4 COCCNCCCC(=O)N 34a_100000739312_100011201679 [0,2,0,0,0,0|2,0,0]=4 3897 B10R0.4 COCCOCCCC(=O)C 1458a_100000070787_100011216529 [0,2,0,0,0,0|2,0,0]=4 3898 B10R0.4 COCCOCCCC(=O)C 34a_100000210237_100000685027 [0,2,0,0,0,0|2,0,0]=4 3899 B10R0.4 COCCOCCCC(=O)C 34a_100000759063_100011201679 [0,2,0,0,0,0|2,0,0]=4 3900 B10R0.4 COCCOCCCC(=O)C 7a_100000759063_100000233755 [0,2,0,0,0,0|2,0,0]=4 3901 B10R0.4 COCCOCCCC(=O)N 34a_100000210237_100102525003 [0,2,0,0,0,0|2,0,0]=4 3902 B10R0.4 COCCOCNCC(=O)O 269956a_100016091260_100000231047 [0,2,0,0,0,0|2,0,0]=4 3903 B10R0.4 COCCSCCCC(=O)C 62a_100000233755_100011215641 [0,2,0,0,0,0|2,0,0]=4 3904 B10R0.4 COCCSCCCC(=O)C 62a_100011215641_100000233755 [0,2,0,0,0,0|2,0,0]=4 3905 B10R0.4 COCCSCCCC(=O)N 62a_100000233755_100102525003 [0,2,0,0,0,0|2,0,0]=4 3906 B10R0.4 COCCSCCCC(=O)N 62a_100102525003_100000233755 [0,2,0,0,0,0|2,0,0]=4 3907 B10R0.4 COCNCCOCC(=O)O 269956a_100000700818_100000766300 [0,2,0,0,0,0|2,0,0]=4 3908 B10R0.4 COCSCCCCC(=O)C 62a_100000735457_100000766300 [0,2,0,0,0,0|2,0,0]=4 3909 B10R0.4 COCSCCCCC(=O)C 62a_100000766300_100000735457 [0,2,0,0,0,0|2,0,0]=4 3910 B10R0.4 CSCCCCCOC(=O)C 62a_100000033007_200000210301 [0,2,0,0,0,0|2,0,0]=4 3911 B10R0.4 CSCCCCCOC(=O)C 62a_200000210301_100000033007 [0,2,0,0,0,0|2,0,0]=4 3912 B10R0.4 CSCCCCOCC(=O)N 34a_100011217163_100000187820 [0,2,0,0,0,0|2,0,0]=4 3913 B10R0.4 CSCCCCOCC(=O)N 7a_100011217163_100000187820 [0,2,0,0,0,0|2,0,0]=4 3914 B10R0.4 CSCCCCOCC(=O)[O-] 34a_100011217163_100020667443 [0,2,0,0,0,0|1,0,1]=4 3915 B10R0.4 CSCCCNCCC(=O)N 2230a_100000749238_100000744528 [0,2,0,0,0,0|2,0,0]=4 3916 B10R0.4 CSCCCOCCC(=O)C 7a_100000690336_100000053229 [0,2,0,0,0,0|2,0,0]=4 3917 B10R0.4 CSCCCOCCC(=O)N 34a_100000690336_100000731001 [0,2,0,0,0,0|2,0,0]=4 3918 B10R0.4 CSCCCOCCC(=O)N 7a_100000690336_100000744528 [0,2,0,0,0,0|2,0,0]=4 3919 B10R0.4 CSCCNCCCC(=O)N 34a_100000739312_100000212216 [0,2,0,0,0,0|2,0,0]=4 3920 B10R0.4 CSCCOCCCC(=O)C 34a_100000230434_100000685027 [0,2,0,0,0,0|2,0,0]=4 3921 B10R0.4 CSCCOCCCC(=O)C 34a_100000759063_100000212216 [0,2,0,0,0,0|2,0,0]=4 3922 B10R0.4 CSCCOCCCC(=O)C 7a_100000230434_100011215641 [0,2,0,0,0,0|2,0,0]=4 3923 B10R0.4 CSCCOCCCC(=O)C 7a_100000759063_100000212216 [0,2,0,0,0,0|2,0,0]=4 3924 B10R0.4 CSCCOCCCC(=O)N 34a_100000230434_100102525003 [0,2,0,0,0,0|2,0,0]=4 3925 B10R0.4 CSCCOCCCC(=O)N 7a_100000230434_100102525003 [0,2,0,0,0,0|2,0,0]=4 3926 B10R0.4 CSCCSCCCC(=O)C 62a_100000212216_100011215641 [0,2,0,0,0,0|2,0,0]=4 3927 B10R0.4 CSCCSCCCC(=O)C 62a_100011215641_100000751147 [0,2,0,0,0,0|2,0,0]=4 3928 B10R0.4 CSCCSCCCC(=O)N 62a_100000212216_100102525003 [0,2,0,0,0,0|2,0,0]=4 3929 B10R0.4 CSCCSCCCC(=O)N 62a_100102525003_100000751147 [0,2,0,0,0,0|2,0,0]=4 3930 B10R0.4 CSCNCCCCC(=O)N 34a_100000696515_100011218213 [0,2,0,0,0,0|2,0,0]=4 3931 B10R0.4 CSCNCCOCC(=O)O 269956a_100000700818_100011218213 [0,2,0,0,0,0|2,0,0]=4 3932 B10R0.4 CSCOCCCCC(=O)N 34a_100012022536_100011218213 [0,2,0,0,0,0|2,0,0]=4 3933 B10R0.4 CSCSCCCCC(=O)C 62a_100000735457_100011218213 [0,2,0,0,0,0|2,0,0]=4 3934 B10R0.4 CSCSCCCCC(=O)C 62a_100011218213_100000735457 [0,2,0,0,0,0|2,0,0]=4 3935 B10R0.4 C[C@@H](O)COCCCCCN 34a_100000762737_100009817552 [0,2,0,0,0,0|1,0,1]=4 3936 B10R0.4 C[C@@H](O)COCCOCCN 34a_100000211614_100009817552 [0,2,0,0,0,0|1,0,1]=4 3937 B10R0.4 N#CCCCCNCC(=O)N 2230a_100000711301_100000211819 [0,2,0,0,0,0|1,0,1]=4 3938 B10R0.4 N#CCCCCNCC(=O)O 269956a_100016091260_100011219923 [0,2,0,0,0,0|0,0,1]=3 3939 B10R0.4 N#CCCCCSCC(=O)N 62a_100000747473_100000211819 [0,2,0,0,0,0|1,0,1]=4 3940 B10R0.4 N#CCCCCSCC(=O)N 62a_100011219923_100000747473 [0,2,0,0,0,0|1,0,1]=4 3941 B10R0.4 N#CCCCCSCC(=O)[O-] 62a_100011219923_100020667443 [0,2,0,0,0,0|0,0,2]=4 3942 B10R0.4 N#CCCCCSCC(=O)[O-] 62a_100020667443_100000211819 [0,2,0,0,0,0|0,0,2]=4 3943 B10R0.4 N#CCCCNOCC(=O)O 269956a_100000106656_100000687738 [0,2,0,0,0,0|0,0,2]=4 3944 B10R0.4 N#CCCCOCCC(=O)N 7a_100000757172_100000687738 [0,2,0,0,0,0|1,0,1]=4 3945 B10R0.4 N#CCCCSCCC(=O)N 62a_100000687738_100000744528 [0,2,0,0,0,0|1,0,1]=4 3946 B10R0.4 N#CCCCSCCC(=O)N 62a_100000744528_100000687738 [0,2,0,0,0,0|1,0,1]=4 3947 B10R0.4 N#CCCSCCCC(=O)N 62a_100011215226_100102525003 [0,2,0,0,0,0|1,0,1]=4 3948 B10R0.4 N#CCCSCCCC(=O)N 62a_100102525003_100011215226 [0,2,0,0,0,0|1,0,1]=4 3949 B10R0.4 N#CCNCCOCC(=O)O 269956a_100000700818_100011215382 [0,2,0,0,0,0|0,0,2]=4 3950 B10R0.4 N#CCOCCCCC(=O)N 7a_100012022536_100011215382 [0,2,0,0,0,0|1,0,1]=4 3951 B10R0.4 N#CCOCCNCC(=O)O 269956a_100016091260_200000047693 [0,2,0,0,0,0|0,0,2]=4 3952 B10R0.4 NC(=O)CCCCCOCF 34a_100000123541_100015361967 [0,2,0,0,0,0|2,0,0]=4 3953 B10R0.4 NC(=O)CCCCCOCF 7a_100000123541_100015361967 [0,2,0,0,0,0|2,0,0]=4 3954 B10R0.4 NC(=O)CCCCCSCF 62a_100009817443_100015361967 [0,2,0,0,0,0|2,0,0]=4 3955 B10R0.4 NC(=O)CCCCCSCF 62a_100015361967_100009817443 [0,2,0,0,0,0|2,0,0]=4 3956 B10R0.4 NC(=O)CCCCNCC=O 34a_100000696515_200009817547 [0,2,0,0,0,0|2,0,0]=4 3957 B10R0.4 NC(=O)CCCCNCCF 34a_100000696515_100011217306 [0,2,0,0,0,0|2,0,0]=4 3958 B10R0.4 NC(=O)CCCCNCCO 34a_100000696515_100000211926 [0,2,0,0,0,0|2,0,0]=4 3959 B10R0.4 NC(=O)CCCCOCC=O 34a_100012022536_200009817547 [0,2,0,0,0,0|2,0,0]=4 3960 B10R0.4 NC(=O)CCCCOCC=O 7a_100012022536_200015260668 [0,2,0,0,0,0|2,0,0]=4 3961 B10R0.4 NC(=O)CCCCOCCF 34a_100012022536_100011217306 [0,2,0,0,0,0|2,0,0]=4 3962 B10R0.4 NC(=O)CCCCOCCF 7a_100012022536_100011217306 [0,2,0,0,0,0|2,0,0]=4 3963 B10R0.4 NC(=O)CCCCOCCO 34a_100012022536_100000211926 [0,2,0,0,0,0|2,0,0]=4 3964 B10R0.4 NC(=O)CCCCOCCO 7a_100012022536_100000211926 [0,2,0,0,0,0|2,0,0]=4 3965 B10R0.4 NC(=O)CCCNCCCF 34a_100000739312_100011934791 [0,2,0,0,0,0|2,0,0]=4 3966 B10R0.4 NC(=O)CCCNCCCF 34a_100015189416_100102525003 [0,2,0,0,0,0|2,0,0]=4 3967 B10R0.4 NC(=O)CCCNCCCO 34a_100000739312_100000230001 [0,2,0,0,0,0|2,0,0]=4 3968 B10R0.4 NC(=O)CCCOCCCBr 34a_100011217188_100102525003 [0,2,0,0,0,0|2,0,0]=4 3969 B10R0.4 NC(=O)CCCOCCCCl 34a_100000230001_100102525003 [0,2,0,0,0,0|2,0,0]=4 3970 B10R0.4 NC(=O)CCCOCCCF 34a_100000759539_100102525003 [0,2,0,0,0,0|2,0,0]=4 3971 B10R0.4 NC(=O)CCCSCCCF 62a_100011934791_100102525003 [0,2,0,0,0,0|2,0,0]=4 3972 B10R0.4 NC(=O)CCCSCCCF 62a_100102525003_100011934791 [0,2,0,0,0,0|2,0,0]=4 3973 B10R0.4 NC(=O)CCCSCCCO 62a_100011215043_100102525003 [0,2,0,0,0,0|2,0,0]=4 3974 B10R0.4 NC(=O)CCCSCCCO 62a_100102525003_100011215043 [0,2,0,0,0,0|2,0,0]=4 3975 B10R0.4 NC(=O)CCNCCCCO 2230a_100000750430_100000744528 [0,2,0,0,0,0|2,0,0]=4 3976 B10R0.4 NC(=O)CCNCCCCO 34a_100000750430_100000731001 [0,2,0,0,0,0|2,0,0]=4 3977 B10R0.4 NC(=O)CCOCCCC=O 7a_100000757172_200011292268 [0,2,0,0,0,0|2,0,0]=4 3978 B10R0.4 NC(=O)CCOCCCCBr 34a_100011216708_100000731001 [0,2,0,0,0,0|2,0,0]=4 3979 B10R0.4 NC(=O)CCOCCCCCl 34a_100000210776_100000731001 [0,2,0,0,0,0|2,0,0]=4 3980 B10R0.4 NC(=O)CCOCCCCCl 7a_100000210776_100000744528 [0,2,0,0,0,0|2,0,0]=4 3981 B10R0.4 NC(=O)CCOCCCCF 34a_100000757172_100000729493 [0,2,0,0,0,0|2,0,0]=4 3982 B10R0.4 NC(=O)CCOCCCCF 34a_100011995726_100000731001 [0,2,0,0,0,0|2,0,0]=4 3983 B10R0.4 NC(=O)CCOCCCCF 7a_100000757172_100000729493 [0,2,0,0,0,0|2,0,0]=4 3984 B10R0.4 NC(=O)CCOCCCCF 7a_100011995726_100000744528 [0,2,0,0,0,0|2,0,0]=4 3985 B10R0.4 NC(=O)CCOCCCCI 34a_200012148704_100000731001 [0,2,0,0,0,0|2,0,0]=4 3986 B10R0.4 NC(=O)CCOCCCCO 34a_100000757172_100011216708 [0,2,0,0,0,0|2,0,0]=4 3987 B10R0.4 NC(=O)CCOCCCCO 7a_100000757172_100000210776 [0,2,0,0,0,0|2,0,0]=4 3988 B10R0.4 NC(=O)CCSCCCC=O 62a_100000744528_200011292268 [0,2,0,0,0,0|2,0,0]=4 3989 B10R0.4 NC(=O)CCSCCCC=O 62a_200011292268_100000744528 [0,2,0,0,0,0|2,0,0]=4 3990 B10R0.4 NC(=O)CCSCCCCF 62a_100000729493_100000744528 [0,2,0,0,0,0|2,0,0]=4 3991 B10R0.4 NC(=O)CCSCCCCF 62a_100000744528_100000729493 [0,2,0,0,0,0|2,0,0]=4 3992 B10R0.4 NC(=O)CCSCCCCO 62a_100000210776_100000744528 [0,2,0,0,0,0|2,0,0]=4 3993 B10R0.4 NC(=O)CCSCCCCO 62a_100000744528_100000210776 [0,2,0,0,0,0|2,0,0]=4 3994 B10R0.4 NC(=O)CNCCCCC=O 2230a_100000711301_100000139335 [0,2,0,0,0,0|2,0,0]=4 3995 B10R0.4 NC(=O)CNCCCCCF 2230a_100000711301_100000729378 [0,2,0,0,0,0|2,0,0]=4 3996 B10R0.4 NC(=O)CNCCCCCO 2230a_100000711301_100000746330 [0,2,0,0,0,0|2,0,0]=4 3997 B10R0.4 NC(=O)CNCCCCCO 2230a_100000762737_100000747473 [0,2,0,0,0,0|2,0,0]=4 3998 B10R0.4 NC(=O)CNCCCCCO 34a_100000762737_100000187820 [0,2,0,0,0,0|2,0,0]=4 3999 B10R0.4 NC(=O)CNCCOCCO 2230a_100000211614_100000747473 [0,2,0,0,0,0|2,0,0]=4 4000 B10R0.4 NC(=O)CNCCOCCO 2230a_100000711301_100011215305 [0,2,0,0,0,0|2,0,0]=4 4001 B10R0.4 NC(=O)CNCCOCCO 34a_100000211614_100000187820 [0,2,0,0,0,0|2,0,0]=4 4002 B10R0.4 NC(=O)CNCCSCCO 2230a_100011219999_100000747473 [0,2,0,0,0,0|2,0,0]=4 4003 B10R0.4 NC(=O)COCCCCCBr 34a_100000746331_100000187820 [0,2,0,0,0,0|2,0,0]=4 4004 B10R0.4 NC(=O)COCCCCCBr 7a_100000746331_100000187820 [0,2,0,0,0,0|2,0,0]=4 4005 B10R0.4 NC(=O)COCCCCCCl 34a_100000746330_100000187820 [0,2,0,0,0,0|2,0,0]=4 4006 B10R0.4 NC(=O)COCCCCCCl 7a_100000746330_100000187820 [0,2,0,0,0,0|2,0,0]=4 4007 B10R0.4 NC(=O)COCCCCCI 34a_200012148887_100000187820 [0,2,0,0,0,0|2,0,0]=4 4008 B10R0.4 NC(=O)COCCCCCI 7a_200012148887_100000187820 [0,2,0,0,0,0|2,0,0]=4 4009 B10R0.4 NC(=O)COCCNCCF 34a_100000724931_100000076697 [0,2,0,0,0,0|2,0,0]=4 4010 B10R0.4 NC(=O)COCCNCCO 2230a_100016997473_100000076697 [0,2,0,0,0,0|2,0,0]=4 4011 B10R0.4 NC(=O)COCCNCCO 34a_100016990907_100000076697 [0,2,0,0,0,0|2,0,0]=4 4012 B10R0.4 NC(=O)COCCOCCBr 34a_100000211926_100000076697 [0,2,0,0,0,0|2,0,0]=4 4013 B10R0.4 NC(=O)COCCOCCBr 34a_100000692535_100000187820 [0,2,0,0,0,0|2,0,0]=4 4014 B10R0.4 NC(=O)COCCOCCBr 7a_100000692535_100000187820 [0,2,0,0,0,0|2,0,0]=4 4015 B10R0.4 NC(=O)COCCOCCCl 34a_100011215305_100000187820 [0,2,0,0,0,0|2,0,0]=4 4016 B10R0.4 NC(=O)COCCOCCCl 7a_100011215305_100000187820 [0,2,0,0,0,0|2,0,0]=4 4017 B10R0.4 NC(=O)COCCOCCF 34a_200015357709_100000187820 [0,2,0,0,0,0|2,0,0]=4 4018 B10R0.4 NC(=O)COCCOCCF 7a_200015357709_100000187820 [0,2,0,0,0,0|2,0,0]=4 4019 B10R0.4 NC(=O)COCCOCCI 34a_100012149058_100000187820 [0,2,0,0,0,0|2,0,0]=4 4020 B10R0.4 NC(=O)COCCOCCI 7a_100012149058_100000187820 [0,2,0,0,0,0|2,0,0]=4 4021 B10R0.4 NC(=O)COCCSCCF 62a_100000076697_100011217306 [0,2,0,0,0,0|2,0,0]=4 4022 B10R0.4 NC(=O)COCCSCCF 62a_100011217306_100000076697 [0,2,0,0,0,0|2,0,0]=4 4023 B10R0.4 NC(=O)COCCSCCO 62a_100000076697_100000211926 [0,2,0,0,0,0|2,0,0]=4 4024 B10R0.4 NC(=O)COCCSCCO 62a_100000211926_100000076697 [0,2,0,0,0,0|2,0,0]=4 4025 B10R0.4 NC(=O)CSCCCCC=O 62a_100000139335_100000747473 [0,2,0,0,0,0|2,0,0]=4 4026 B10R0.4 NC(=O)CSCCCCC=O 62a_100000747473_100000139335 [0,2,0,0,0,0|2,0,0]=4 4027 B10R0.4 NC(=O)CSCCCCCF 62a_100000729378_100000747473 [0,2,0,0,0,0|2,0,0]=4 4028 B10R0.4 NC(=O)CSCCCCCF 62a_100000747473_100000729378 [0,2,0,0,0,0|2,0,0]=4 4029 B10R0.4 NC(=O)CSCCCCCO 62a_100000746330_100000747473 [0,2,0,0,0,0|2,0,0]=4 4030 B10R0.4 NC(=O)CSCCCCCO 62a_100000747473_100000746330 [0,2,0,0,0,0|2,0,0]=4 4031 B10R0.4 NC(=O)CSCCOCCO 62a_100000747473_100011215305 [0,2,0,0,0,0|2,0,0]=4 4032 B10R0.4 NC(=O)CSCCOCCO 62a_100011215305_100000747473 [0,2,0,0,0,0|2,0,0]=4 4033 B10R0.4 NC(=O)NCCNCCCF 2230a_100015189416_200000034859 [0,2,0,0,0,0|2,0,0]=4 4034 B10R0.4 NC(=O)NCCNCCCF 34a_100020590234_100011934791 [0,2,0,0,0,0|2,0,0]=4 4035 B10R0.4 NC(=O)NCCNCCCO 34a_100020590234_100000230001 [0,2,0,0,0,0|2,0,0]=4 4036 B10R0.4 NC(=O)NCCOCCCF 34a_100000181757_100011934791 [0,2,0,0,0,0|2,0,0]=4 4037 B10R0.4 NC(=O)NCCOCCCO 34a_100000181757_100000230001 [0,2,0,0,0,0|2,0,0]=4 4038 B10R0.4 NC(=O)NCCSCCCF 62a_100011934791_200000034859 [0,2,0,0,0,0|2,0,0]=4 4039 B10R0.4 NC(=O)NCCSCCCF 62a_200000034859_100011934791 [0,2,0,0,0,0|2,0,0]=4 4040 B10R0.4 NC(=O)NCCSCCCO 62a_100011215043_200000034859 [0,2,0,0,0,0|2,0,0]=4 4041 B10R0.4 NC(=O)NCCSCCCO 62a_200000034859_100011215043 [0,2,0,0,0,0|2,0,0]=4 4042 B10R0.4 NC(=O)OCCNCCCF 34a_100015189416_200011214921 [0,2,0,0,0,0|2,0,0]=4 4043 B10R0.4 NC(=O)OCCOCCCBr 34a_100011217188_200011214921 [0,2,0,0,0,0|2,0,0]=4 4044 B10R0.4 NC(=O)OCCOCCCCl 34a_100000230001_200011214921 [0,2,0,0,0,0|2,0,0]=4 4045 B10R0.4 NC(=O)OCCOCCCF 34a_100000759539_200011214921 [0,2,0,0,0,0|2,0,0]=4 4046 B10R0.4 NC(=O)OCCOCCCF 7a_100000766696_100011934791 [0,2,0,0,0,0|2,0,0]=4 4047 B10R0.4 NC(=O)OCCOCCCO 7a_100000766696_100011215043 [0,2,0,0,0,0|2,0,0]=4 4048 B10R0.4 NC(=O)OCCSCCCF 62a_100011934791_200011214921 [0,2,0,0,0,0|2,0,0]=4 4049 B10R0.4 NC(=O)OCCSCCCF 62a_200011214921_100011934791 [0,2,0,0,0,0|2,0,0]=4 4050 B10R0.4 NC(=O)OCCSCCCO 62a_100011215043_200011214921 [0,2,0,0,0,0|2,0,0]=4 4051 B10R0.4 NC(=O)OCCSCCCO 62a_200011214921_100011215043 [0,2,0,0,0,0|2,0,0]=4 4052 B10R0.4 NCCCCCOCC(=O)N 34a_100000762737_100000187820 [0,2,0,0,0,0|1,0,0]=3 4053 B10R0.4 NCCCCCOCC(=O)[O-] 34a_100000762737_100020667443 [0,2,0,0,0,0|0,0,1]=3 4054 B10R0.4 NCCCCCOC[N+](=O)[O-] 34a_100000762737_100000761209 [0,2,0,0,0,0|1,0,1]=4 4055 B10R0.4 NCCCCOCCC(=O)N 34a_100000750430_100000731001 [0,2,0,0,0,0|1,0,0]=3 4056 B10R0.4 NCCCOCCC=C(F)F 34a_100000182051_200009816681 [0,2,0,0,0,0|2,0,0]=4 4057 B10R0.4 NCCCOCCCC(=O)N 34a_100000182051_100102525003 [0,2,0,0,0,0|1,0,0]=3 4058 B10R0.4 NCCCOCCOC(=O)N 34a_100000182051_200011214921 [0,2,0,0,0,0|1,0,0]=3 4059 B10R0.4 NCCOCCCCB(O)O 34a_100000210304_200009817182 [0,2,0,0,0,0|1,0,1]=4 4060 B10R0.4 NCCOCCOCC(=O)N 34a_100000210304_100000076697 [0,2,0,0,0,0|1,0,0]=3 4061 B10R0.4 NCCOCCOCC(=O)N 34a_100000211614_100000187820 [0,2,0,0,0,0|1,0,0]=3 4062 B10R0.4 NCCOCCOCC(=O)[O-] 34a_100000211614_100020667443 [0,2,0,0,0,0|0,0,1]=3 4063 B10R0.4 NCCOCCOC[N+](=O)[O-] 34a_100000211614_100000761209 [0,2,0,0,0,0|1,0,1]=4 4064 B10R0.4 NOCCOCCCC(=O)N 34a_100000700252_100102525003 [0,2,0,0,0,0|1,0,0]=3 4065 B10R0.4 NOCCOCCOC(=O)N 34a_100000700252_200011214921 [0,2,0,0,0,0|2,0,0]=4 4066 B10R0.4 O=C(O)CNCCCCCF 269956a_100016091260_100000729378 [0,2,0,0,0,0|1,0,0]=3 4067 B10R0.4 O=C(O)CNCCCCCO 269956a_100016091260_100000746330 [0,2,0,0,0,0|1,0,0]=3 4068 B10R0.4 O=C(O)CNCCOCCO 269956a_100016091260_100011215305 [0,2,0,0,0,0|1,0,0]=3 4069 B10R0.4 O=C(O)COCCNCCF 269956a_100000700818_100011217306 [0,2,0,0,0,0|1,0,0]=3 4070 B10R0.4 O=C(O)COCCNCCO 269956a_100000700818_100000211926 [0,2,0,0,0,0|1,0,0]=3 4071 B10R0.4 O=C(O)CONCCCCF 269956a_100000106656_100000729493 [0,2,0,0,0,0|1,0,0]=3 4072 B10R0.4 O=C(O)CONCCCCO 269956a_100000106656_100000210776 [0,2,0,0,0,0|1,0,0]=3 4073 B10R0.4 O=C([O-])CCCCCOCF 7a_100102619762_100015361967 [0,2,0,0,0,0|1,0,1]=4 4074 B10R0.4 O=C([O-])CNCCCCCO 34a_100000762737_100020667443 [0,2,0,0,0,0|1,0,1]=4 4075 B10R0.4 O=C([O-])CNCCOCCO 34a_100000211614_100020667443 [0,2,0,0,0,0|1,0,1]=4 4076 B10R0.4 O=C([O-])COCCCCCBr 34a_100000746331_100020667443 [0,2,0,0,0,0|1,0,1]=4 4077 B10R0.4 O=C([O-])COCCCCCCl 34a_100000746330_100020667443 [0,2,0,0,0,0|1,0,1]=4 4078 B10R0.4 O=C([O-])COCCCCCI 34a_200012148887_100020667443 [0,2,0,0,0,0|1,0,1]=4 4079 B10R0.4 O=C([O-])COCCOCCBr 34a_100000692535_100020667443 [0,2,0,0,0,0|1,0,1]=4 4080 B10R0.4 O=C([O-])COCCOCCCl 34a_100011215305_100020667443 [0,2,0,0,0,0|1,0,1]=4 4081 B10R0.4 O=C([O-])COCCOCCF 34a_200015357709_100020667443 [0,2,0,0,0,0|1,0,1]=4 4082 B10R0.4 O=C([O-])COCCOCCI 34a_100012149058_100020667443 [0,2,0,0,0,0|1,0,1]=4 4083 B10R0.4 O=C([O-])CSCCCCCF 62a_100000729378_100020667443 [0,2,0,0,0,0|1,0,1]=4 4084 B10R0.4 O=C([O-])CSCCCCCF 62a_100020667443_100000729378 [0,2,0,0,0,0|1,0,1]=4 4085 B10R0.4 O=C([O-])CSCCCCCO 62a_100000746330_100020667443 [0,2,0,0,0,0|1,0,1]=4 4086 B10R0.4 O=C([O-])CSCCCCCO 62a_100020667443_100000746330 [0,2,0,0,0,0|1,0,1]=4 4087 B10R0.4 O=C([O-])CSCCOCCO 62a_100011215305_100020667443 [0,2,0,0,0,0|1,0,1]=4 4088 B10R0.4 O=C([O-])CSCCOCCO 62a_100020667443_100011215305 [0,2,0,0,0,0|1,0,1]=4 4089 B10R0.4 O=CCCCCNCC(=O)O 269956a_100016091260_100000139335 [0,2,0,0,0,0|1,0,0]=3 4090 B10R0.4 O=CCCCCSCC(=O)[O-] 62a_100000139335_100020667443 [0,2,0,0,0,0|1,0,1]=4 4091 B10R0.4 O=CCCCCSCC(=O)[O-] 62a_100020667443_100000139335 [0,2,0,0,0,0|1,0,1]=4 4092 B10R0.4 O=CCCCNOCC(=O)O 269956a_100000106656_200011292268 [0,2,0,0,0,0|1,0,1]=4 4093 B10R0.4 O=CCNCCOCC(=O)O 269956a_100000700818_200015260668 [0,2,0,0,0,0|1,0,1]=4 4094 B10R0.4 [13CH3]C(=O)CCCCCCCO 1458a_100011219782_200025704644 [0,2,0,0,0,0|2,0,0]=4 4095 B10R0.4 [13CH3]C(=O)CCCCCN=[N+]=[N-] 1458a_100009870042_200025704644 [0,2,0,0,0,0|1,0,1]=4 4096 B10R0.4 [13CH3]C(=O)COCCOCCO 1458a_106645077154_200025704644 [0,2,0,0,0,0|2,0,0]=4 4097 B10R0.6 C#CCCCN(C)CC(=O)O 269956a_100000746989_100011215417 [0,2,0,0,0,0|1,0,1]=4 4098 B10R0.6 C#CCNCC(O)CC(=O)O 269956a_100011218706_100000184674 [0,2,0,0,0,0|1,0,1]=4 4099 B10R0.6 C=CCCCN(C)CC(=O)O 269956a_100000746989_100011713584 [0,2,0,0,0,0|1,0,1]=4 4100 B10R0.6 C=CCNCC(O)CC(=O)O 269956a_100011218706_100000210623 [0,2,0,0,0,0|1,0,1]=4 4101 B10R0.6 CCCCCC(=O)CC(=O)C 1458a_100000070787_200012276598 [0,2,0,0,0,0|2,0,0]=4 4102 B10R0.6 CCCCCC(=O)CC(=O)N 1458a_100000212188_100000187820 [0,2,0,0,0,0|2,0,0]=4 4103 B10R0.6 CCCCCC(=O)CC(=O)N 1458a_100134613110_100000210326 [0,2,0,0,0,0|2,0,0]=4 4104 B10R0.6 CCCCCC(=O)CC(=O)[O-] 1458a_100000212188_100020667443 [0,2,0,0,0,0|1,0,1]=4 4105 B10R0.6 CCCCCC(C)NC(=O)C 11a_100000211957_100015343762 [0,2,0,0,0,0|2,0,0]=4 4106 B10R0.6 CCCCCC(C)NC(=O)C 1626a_100000211957_100015343762 [0,2,0,0,0,0|2,0,0]=4 4107 B10R0.6 CCCCCC(C)NC(=O)C 240690a_100000211957_100015343762 [0,2,0,0,0,0|2,0,0]=4 4108 B10R0.6 CCCCCC(C)NC(=O)C 527a_100000211957_100103153847 [0,2,0,0,0,0|2,0,0]=4 4109 B10R0.6 CCCCCN(C)CC(=O)N 2230a_100000223495_100000747473 [0,2,0,0,0,0|2,0,0]=4 4110 B10R0.6 CCCCCN(C)CC(=O)N 2230a_100000739694_100000210326 [0,2,0,0,0,0|2,0,0]=4 4111 B10R0.6 CCCCCN(C)CC(=O)N 269982a_100000223495_100000187820 [0,2,0,0,0,0|2,0,0]=4 4112 B10R0.6 CCCCCN(C)CC(=O)O 269956a_100000746989_100000210326 [0,2,0,0,0,0|1,0,0]=3 4113 B10R0.6 CCCCCN(C)CC(=O)[O-] 269982a_100000223495_100020667443 [0,2,0,0,0,0|1,0,1]=4 4114 B10R0.6 CCCNCC(O)CC(=O)O 269956a_100011218706_100000210207 [0,2,0,0,0,0|1,0,0]=3 4115 B10R0.6 CCOCCN(C)CC(=O)O 269956a_100000746989_100000210147 [0,2,0,0,0,0|2,0,0]=4 4116 B10R0.6 CCSCCN(C)CC(=O)O 269956a_100000746989_100000757381 [0,2,0,0,0,0|2,0,0]=4 4117 B10R0.6 CN(CCCC#N)CC(=O)O 269956a_100000746989_100000687738 [0,2,0,0,0,0|0,0,2]=4 4118 B10R0.6 CN(CCCC=O)CC(=O)O 269956a_100000746989_200011292268 [0,2,0,0,0,0|1,0,1]=4 4119 B10R0.6 CN(CCCCF)CC(=O)N 2230a_100000739694_100000729493 [0,2,0,0,0,0|2,0,0]=4 4120 B10R0.6 CN(CCCCF)CC(=O)O 269956a_100000746989_100000729493 [0,2,0,0,0,0|1,0,0]=3 4121 B10R0.6 CN(CCCCO)CC(=O)N 2230a_100000717598_100000747473 [0,2,0,0,0,0|2,0,0]=4 4122 B10R0.6 CN(CCCCO)CC(=O)N 2230a_100000739694_100000210776 [0,2,0,0,0,0|2,0,0]=4 4123 B10R0.6 CN(CCCCO)CC(=O)N 269982a_100000717598_100000187820 [0,2,0,0,0,0|2,0,0]=4 4124 B10R0.6 CN(CCCCO)CC(=O)O 269956a_100000746989_100000210776 [0,2,0,0,0,0|1,0,0]=3 4125 B10R0.6 CN(CCCCO)CC(=O)[O-] 269982a_100000717598_100020667443 [0,2,0,0,0,0|1,0,1]=4 4126 B10R0.6 COCCCN(C)CC(=O)O 269956a_100000746989_100000740836 [0,2,0,0,0,0|2,0,0]=4 4127 B10R0.6 COCNCC(O)CC(=O)O 269956a_100011218706_100000766300 [0,2,0,0,0,0|2,0,0]=4 4128 B10R0.6 CSCNCC(O)CC(=O)O 269956a_100011218706_100011218213 [0,2,0,0,0,0|2,0,0]=4 4129 B10R0.6 N#CCNCC(O)CC(=O)O 269956a_100011218706_100011215382 [0,2,0,0,0,0|0,0,2]=4 4130 B10R0.6 NC(=O)CC(=O)CCCCF 1458a_100134613110_100000729493 [0,2,0,0,0,0|2,0,0]=4 4131 B10R0.6 NC(=O)CC(=O)CCCCO 1458a_100000695505_100000187820 [0,2,0,0,0,0|2,0,0]=4 4132 B10R0.6 NC(=O)CC(=O)CCCCO 1458a_100134613110_100000210776 [0,2,0,0,0,0|2,0,0]=4 4133 B10R0.6 O=C(O)CC(O)CNCCF 269956a_100011218706_100011217306 [0,2,0,0,0,0|1,0,0]=3 4134 B10R0.6 O=C(O)CC(O)CNCCO 269956a_100011218706_100000211926 [0,2,0,0,0,0|1,0,0]=3 4135 B10R0.6 O=C([O-])CC(=O)CCCCO 1458a_100000695505_100020667443 [0,2,0,0,0,0|1,0,1]=4 4136 B10R0.6 O=CCNCC(O)CC(=O)O 269956a_100011218706_200015260668 [0,2,0,0,0,0|1,0,1]=4 4137 B10R0.22 CC(C)(O)CCCOCCN 34a_100000210304_100009888830 [0,2,0,0,0,0|1,0,1]=4 4138 B10R0.22 CC(C)(O)CCOCCCN 34a_100000182051_100000702414 [0,2,0,0,0,0|1,0,1]=4 4139 B10R0.22 CC(C)(O)COCCCCN 34a_100000750430_100000764493 [0,2,0,0,0,0|1,0,1]=4 4140 B10R0.22 CNCCCCCC(C)(C)O 2230a_106832991635_100010402123 [0,2,0,0,0,0|1,0,1]=4 4141 B10R0.22 CNCCCCCC(C)(C)O 34a_100102657272_100010402123 [0,2,0,0,0,0|1,0,1]=4 4142 B10R0.22 CNCCCCCC(C)(C)O 7a_106832991635_100010402123 [0,2,0,0,0,0|1,0,1]=4 4143 B10R0.22 CS(=O)(=O)CCCOCCN 34a_100000210304_100000754308 [0,2,0,0,0,0|1,0,1]=4 4144 B10R0.22 CS(=O)(=O)CCOCCCN 34a_100000182051_100000731031 [0,2,0,0,0,0|1,0,1]=4 4145 B10R0.22 NCCCCOCS(=O)(=O)[O-] 34a_100000750430_100009817235 [0,2,0,0,0,0|1,0,1]=4 4146 B10R0.22 NCCCOCCS(=O)(=O)[O-] 34a_100000182051_100000762736 [0,2,0,0,0,0|1,0,1]=4 4147 B10R0.22 NCCOCCCS(=O)(=O)N 34a_100000210304_100000750626 [0,2,0,0,0,0|1,0,1]=4 4148 B10R0.22 NCCOCCCS(=O)(=O)[O-] 34a_100000210304_100009813499 [0,2,0,0,0,0|1,0,1]=4 4149 B10R0.55 C#CC(=O)CCCCC(C)C 1458a_100000211873_100011216152 [0,2,0,0,0,0|2,0,0]=4 4150 B10R0.55 C=C(C)CCOCC(C)CN 34a_100000744482_100000730704 [0,2,0,0,0,0|2,0,0]=4 4151 B10R0.55 C=C(C)CCOC[C@H](F)CN 34a_100015665980_100000730704 [0,2,0,0,0,0|2,0,0]=4 4152 B10R0.55 C=CC(=O)CCCCC(C)C 1458a_100000185746_100011216152 [0,2,0,0,0,0|2,0,0]=4 4153 B10R0.55 C=C[C@H](N)COCCC(=O)N 34a_100016989147_100000731001 [0,2,0,0,0,0|2,0,0]=4 4154 B10R0.55 CC(=O)CCCCC(=O)CO 1458a_100000210174_100000735457 [0,2,0,0,0,0|1,0,1]=4 4155 B10R0.55 CC(=O)CCCOC(C)CF 34a_100016041109_100000685027 [0,2,0,0,0,0|2,0,0]=4 4156 B10R0.55 CC(=O)CCCOC(C)CF 7a_100016041109_100011215641 [0,2,0,0,0,0|2,0,0]=4 4157 B10R0.55 CC(=O)CCCOC(C)CN 34a_100000210904_100000685027 [0,2,0,0,0,0|1,0,0]=3 4158 B10R0.55 CC(=O)CCCOC(C)CO 34a_100000759063_100012180447 [0,2,0,0,0,0|2,0,0]=4 4159 B10R0.55 CC(=O)CCCOC(C)CO 7a_100000759063_100012180447 [0,2,0,0,0,0|2,0,0]=4 4160 B10R0.55 CC(=O)CCCSC(C)CO 62a_100012180447_100011215641 [0,2,0,0,0,0|2,0,0]=4 4161 B10R0.55 CC(=O)CCCS[C@H](C)CO 62a_100011215641_100016084084 [0,2,0,0,0,0|2,0,0]=4 4162 B10R0.55 CC(=O)CCCS[C@H](C)CO 62a_100016084084_100011215641 [0,2,0,0,0,0|2,0,0]=4 4163 B10R0.55 CC(=O)CCOCC(O)CO 34a_100000759926_100011219619 [0,2,0,0,0,0|2,0,0]=4 4164 B10R0.55 CC(=O)CCOCC(O)CO 7a_100000759926_100011219619 [0,2,0,0,0,0|2,0,0]=4 4165 B10R0.55 CC(=O)CCOC[C@@H](C)CO 34a_100000759926_100000059175 [0,2,0,0,0,0|2,0,0]=4 4166 B10R0.55 CC(=O)CCOC[C@@H](C)CO 7a_100000759926_100000059175 [0,2,0,0,0,0|2,0,0]=4 4167 B10R0.55 CC(=O)CCOC[C@@H](O)CF 34a_100000759926_100015614560 [0,2,0,0,0,0|2,0,0]=4 4168 B10R0.55 CC(=O)CCOC[C@@H](O)CF 7a_100000759926_100015614560 [0,2,0,0,0,0|2,0,0]=4 4169 B10R0.55 CC(=O)CCOC[C@@H](O)CO 34a_100000759926_100009815848 [0,2,0,0,0,0|2,0,0]=4 4170 B10R0.55 CC(=O)CCOC[C@@H](O)CO 7a_100000759926_100009815848 [0,2,0,0,0,0|2,0,0]=4 4171 B10R0.55 CC(=O)CCSCC(O)CO 62a_100000053229_100011219619 [0,2,0,0,0,0|2,0,0]=4 4172 B10R0.55 CC(=O)CCSCC(O)CO 62a_100011219619_100000053229 [0,2,0,0,0,0|2,0,0]=4 4173 B10R0.55 CC(=O)CCSC[C@@H](C)CO 62a_100000053229_100000059175 [0,2,0,0,0,0|2,0,0]=4 4174 B10R0.55 CC(=O)CCSC[C@@H](C)CO 62a_100000059175_100000053229 [0,2,0,0,0,0|2,0,0]=4 4175 B10R0.55 CC(=O)CCSC[C@@H](O)CF 62a_100000053229_100015614560 [0,2,0,0,0,0|2,0,0]=4 4176 B10R0.55 CC(=O)CCSC[C@@H](O)CF 62a_100015614560_100000053229 [0,2,0,0,0,0|2,0,0]=4 4177 B10R0.55 CC(=O)CCSC[C@@H](O)CO 62a_100000053229_100009815848 [0,2,0,0,0,0|2,0,0]=4 4178 B10R0.55 CC(=O)CCSC[C@@H](O)CO 62a_100009815848_100000053229 [0,2,0,0,0,0|2,0,0]=4 4179 B10R0.55 CC(=O)OCCOC(C)CN 34a_100000210904_100009814007 [0,2,0,0,0,0|2,0,0]=4 4180 B10R0.55 CC(=O)OCOCC(C)CN 34a_100000744482_100009813279 [0,2,0,0,0,0|2,0,0]=4 4181 B10R0.55 CC(=O)OCOC[C@H](F)CN 34a_100015665980_100009813279 [0,2,0,0,0,0|2,0,0]=4 4182 B10R0.55 CC(C)CCCCC(=O)CF 1458a_100011933920_100015361967 [0,2,0,0,0,0|2,0,0]=4 4183 B10R0.55 CC(C)CCCCC(=O)CO 1458a_100000210174_100011216152 [0,2,0,0,0,0|1,0,0]=3 4184 B10R0.55 CC(C)CCCNC(=O)CO 240690a_200000737386_100000210174 [0,2,0,0,0,0|2,0,0]=4 4185 B10R0.55 CC(C)CCCNC(=O)CO 527a_200000737386_100000210174 [0,2,0,0,0,0|2,0,0]=4 4186 B10R0.55 CC(CF)OCCCC(=O)N 34a_100016041109_100102525003 [0,2,0,0,0,0|2,0,0]=4 4187 B10R0.55 CC(CF)OCCCC(=O)N 7a_100016041109_100102525003 [0,2,0,0,0,0|2,0,0]=4 4188 B10R0.55 CC(CN)COCCC(=O)N 34a_100000744482_100000731001 [0,2,0,0,0,0|1,0,0]=3 4189 B10R0.55 CC(CN)OCCCC(=O)N 34a_100000210904_100102525003 [0,2,0,0,0,0|1,0,0]=3 4190 B10R0.55 CC(CN)OCCOC(=O)N 34a_100000210904_200011214921 [0,2,0,0,0,0|2,0,0]=4 4191 B10R0.55 CC(CO)CCNCC(=O)N 2230a_106354213184_100000747473 [0,2,0,0,0,0|2,0,0]=4 4192 B10R0.55 CC(CO)CCNCC(=O)N 34a_106354213184_100000187820 [0,2,0,0,0,0|2,0,0]=4 4193 B10R0.55 CC(CO)CCNCC(=O)[O-] 34a_106354213184_100020667443 [0,2,0,0,0,0|1,0,1]=4 4194 B10R0.55 CC(CO)CNCCC(=O)N 34a_100000744482_100000731001 [0,2,0,0,0,0|2,0,0]=4 4195 B10R0.55 CC(CO)NCCCC(=O)N 34a_100000739312_100012180447 [0,2,0,0,0,0|2,0,0]=4 4196 B10R0.55 CC(CO)SCCCC(=O)N 62a_100012180447_100102525003 [0,2,0,0,0,0|2,0,0]=4 4197 B10R0.55 CC(O)CCCOC(C)CN 34a_100000210904_200000718107 [0,2,0,0,0,0|1,0,1]=4 4198 B10R0.55 CC(O)CCOCC(C)CN 34a_100000744482_100012276601 [0,2,0,0,0,0|1,0,1]=4 4199 B10R0.55 CC(O)CCOC[C@H](F)CN 34a_100015665980_100012276601 [0,2,0,0,0,0|1,0,1]=4 4200 B10R0.55 CCC(=O)CCCCC(=O)C 1458a_100000210414_100000735457 [0,2,0,0,0,0|2,0,0]=4 4201 B10R0.55 CCC(=O)CCCCC(C)C 1458a_100000210414_100011216152 [0,2,0,0,0,0|2,0,0]=4 4202 B10R0.55 CCC(=O)CCCCC(C)C 1458a_100011933920_100000210202 [0,2,0,0,0,0|2,0,0]=4 4203 B10R0.55 CCC(C)CCNCC(=O)N 2230a_100020591266_100000747473 [0,2,0,0,0,0|2,0,0]=4 4204 B10R0.55 CCC(C)CCOCC(=O)N 7a_100011215188_100000187820 [0,2,0,0,0,0|2,0,0]=4 4205 B10R0.55 CCC(C)CNCCC(=O)N 2230a_100020588543_100000744528 [0,2,0,0,0,0|2,0,0]=4 4206 B10R0.55 CCC(C)CNOCC(=O)O 269956a_100000106656_100000748023 [0,2,0,0,0,0|2,0,0]=4 4207 B10R0.55 CCC(C)COCCC(=O)C 34a_100000759926_100000748023 [0,2,0,0,0,0|2,0,0]=4 4208 B10R0.55 CCC(C)COCCC(=O)C 7a_100000759926_100000748023 [0,2,0,0,0,0|2,0,0]=4 4209 B10R0.55 CCC(C)COCCC(=O)N 34a_100000757172_100000748023 [0,2,0,0,0,0|2,0,0]=4 4210 B10R0.55 CCC(C)COCCC(=O)N 7a_100000757172_100000748023 [0,2,0,0,0,0|2,0,0]=4 4211 B10R0.55 CCC(C)CSCCC(=O)C 62a_100000053229_100000748023 [0,2,0,0,0,0|2,0,0]=4 4212 B10R0.55 CCC(C)CSCCC(=O)C 62a_100000748023_100000053229 [0,2,0,0,0,0|2,0,0]=4 4213 B10R0.55 CCC(C)CSCCC(=O)N 62a_100000744528_100000748023 [0,2,0,0,0,0|2,0,0]=4 4214 B10R0.55 CCC(C)CSCCC(=O)N 62a_100000748023_100000744528 [0,2,0,0,0,0|2,0,0]=4 4215 B10R0.55 CCC(C)NCCCC(=O)N 34a_100000739312_100011215416 [0,2,0,0,0,0|2,0,0]=4 4216 B10R0.55 CCC(C)OCCCC(=O)C 34a_100000759063_100011215416 [0,2,0,0,0,0|2,0,0]=4 4217 B10R0.55 CCC(C)OCCCC(=O)C 7a_100000210228_100011215641 [0,2,0,0,0,0|2,0,0]=4 4218 B10R0.55 CCC(C)OCCCC(=O)C 7a_100000759063_100000758301 [0,2,0,0,0,0|2,0,0]=4 4219 B10R0.55 CCC(C)OCCCC(=O)N 7a_100000210228_100102525003 [0,2,0,0,0,0|2,0,0]=4 4220 B10R0.55 CCC(C)SCCCC(=O)C 62a_100000758301_100011215641 [0,2,0,0,0,0|2,0,0]=4 4221 B10R0.55 CCC(C)SCCCC(=O)C 62a_100011215641_100000758301 [0,2,0,0,0,0|2,0,0]=4 4222 B10R0.55 CCC(C)SCCCC(=O)N 62a_100000758301_100102525003 [0,2,0,0,0,0|2,0,0]=4 4223 B10R0.55 CCC(C)SCCCC(=O)N 62a_100102525003_100000758301 [0,2,0,0,0,0|2,0,0]=4 4224 B10R0.55 CCC(O)CNCCC(=O)N 2230a_100011218483_100000744528 [0,2,0,0,0,0|2,0,0]=4 4225 B10R0.55 CCC(O)CNOCC(=O)O 269956a_100000106656_100011218378 [0,2,0,0,0,0|2,0,0]=4 4226 B10R0.55 CCC(O)COCCC(=O)C 34a_100000759926_100011218378 [0,2,0,0,0,0|2,0,0]=4 4227 B10R0.55 CCC(O)COCCC(=O)C 7a_100000759926_100011218378 [0,2,0,0,0,0|2,0,0]=4 4228 B10R0.55 CCC(O)COCCC(=O)N 34a_100000757172_100011218378 [0,2,0,0,0,0|2,0,0]=4 4229 B10R0.55 CCC(O)COCCC(=O)N 7a_100000757172_100011218378 [0,2,0,0,0,0|2,0,0]=4 4230 B10R0.55 CCC(O)CSCCC(=O)C 62a_100000053229_100011218378 [0,2,0,0,0,0|2,0,0]=4 4231 B10R0.55 CCC(O)CSCCC(=O)C 62a_100011218378_100000053229 [0,2,0,0,0,0|2,0,0]=4 4232 B10R0.55 CCC(O)CSCCC(=O)N 62a_100000744528_100011218378 [0,2,0,0,0,0|2,0,0]=4 4233 B10R0.55 CCC(O)CSCCC(=O)N 62a_100011218378_100000744528 [0,2,0,0,0,0|2,0,0]=4 4234 B10R0.55 CCN(C)CCCCC(=O)C 269982a_100000225621_100000735457 [0,2,0,0,0,0|2,0,0]=4 4235 B10R0.55 CC[C@H](C)CNOCC(=O)O 269956a_100000106656_100009816398 [0,2,0,0,0,0|2,0,0]=4 4236 B10R0.55 CC[C@H](C)COCCC(=O)C 34a_100000759926_100009816398 [0,2,0,0,0,0|2,0,0]=4 4237 B10R0.55 CC[C@H](C)COCCC(=O)C 7a_100000759926_100009816398 [0,2,0,0,0,0|2,0,0]=4 4238 B10R0.55 CC[C@H](C)COCCC(=O)C 7a_100009816381_100000053229 [0,2,0,0,0,0|2,0,0]=4 4239 B10R0.55 CC[C@H](C)COCCC(=O)N 34a_100000757172_100009816398 [0,2,0,0,0,0|2,0,0]=4 4240 B10R0.55 CC[C@H](C)COCCC(=O)N 7a_100000757172_100009816398 [0,2,0,0,0,0|2,0,0]=4 4241 B10R0.55 CC[C@H](C)COCCC(=O)N 7a_100009816381_100000744528 [0,2,0,0,0,0|2,0,0]=4 4242 B10R0.55 CC[C@H](C)CSCCC(=O)C 62a_100000053229_100009816398 [0,2,0,0,0,0|2,0,0]=4 4243 B10R0.55 CC[C@H](C)CSCCC(=O)C 62a_100009816398_100000053229 [0,2,0,0,0,0|2,0,0]=4 4244 B10R0.55 CC[C@H](C)CSCCC(=O)N 62a_100000744528_100009816398 [0,2,0,0,0,0|2,0,0]=4 4245 B10R0.55 CC[C@H](C)CSCCC(=O)N 62a_100009816398_100000744528 [0,2,0,0,0,0|2,0,0]=4 4246 B10R0.55 CNC(=O)CCCCC(C)C 11a_106832991635_100011933920 [0,2,0,0,0,0|2,0,0]=4 4247 B10R0.55 CNC(=O)CCCCC(C)C 1626a_100102657272_100011933920 [0,2,0,0,0,0|2,0,0]=4 4248 B10R0.55 CNC(=O)CCCCC(C)C 240690a_100102657272_100011933920 [0,2,0,0,0,0|2,0,0]=4 4249 B10R0.55 CNC(=O)CCCCC(C)C 527a_100102657272_100011933920 [0,2,0,0,0,0|2,0,0]=4 4250 B10R0.55 CNC(=O)CCNCC(=O)O 269956a_100016091260_100000737683 [0,2,0,0,0,0|1,0,1]=4 4251 B10R0.55 CNC(=O)CCOC[C@@H](C)N 34a_100000737577_100012179268 [0,2,0,0,0,0|2,0,0]=4 4252 B10R0.55 CNC(=O)COCC[C@@H](C)N 34a_100000706166_100000183359 [0,2,0,0,0,0|2,0,0]=4 4253 B10R0.55 COC(=O)CCCCC(=O)C 1458a_100000070787_100000204269 [0,2,0,0,0,0|1,0,1]=4 4254 B10R0.55 COC(=O)CCCCC(=O)C 1458a_100000695723_200000210301 [0,2,0,0,0,0|1,0,1]=4 4255 B10R0.55 COC(=O)CCCCC(=O)[13CH3] 1458a_100000695723_200025704644 [0,2,0,0,0,0|1,0,1]=4 4256 B10R0.55 COC(=O)CCCCN(C)C 2230a_100102631434_100000204269 [0,2,0,0,0,0|2,0,0]=4 4257 B10R0.55 COC(=O)CCCCN(C)C 269982a_100102631434_100000204269 [0,2,0,0,0,0|2,0,0]=4 4258 B10R0.55 COC(=O)CCCNC(C)C 2230a_100138425928_100011218270 [0,2,0,0,0,0|2,0,0]=4 4259 B10R0.55 COC(=O)CCCNC(C)C 34a_100138425928_100000742333 [0,2,0,0,0,0|2,0,0]=4 4260 B10R0.55 COC(=O)CCCOC(C)C 34a_100000212225_100000742333 [0,2,0,0,0,0|2,0,0]=4 4261 B10R0.55 COC(=O)CCCSC(C)C 62a_100000210206_100011218270 [0,2,0,0,0,0|2,0,0]=4 4262 B10R0.55 COC(=O)CCCSC(C)C 62a_100011218270_100000210206 [0,2,0,0,0,0|2,0,0]=4 4263 B10R0.55 COC(=O)CCNCC(=O)N 2230a_100000711301_100000204255 [0,2,0,0,0,0|1,0,1]=4 4264 B10R0.55 COC(=O)CCNCC(C)C 2230a_100000210953_100000204255 [0,2,0,0,0,0|2,0,0]=4 4265 B10R0.55 COC(=O)CCNCC(C)C 34a_100000210953_100000742370 [0,2,0,0,0,0|2,0,0]=4 4266 B10R0.55 COC(=O)CCNCC(C)O 2230a_100000210904_100000204255 [0,2,0,0,0,0|2,0,0]=4 4267 B10R0.55 COC(=O)CCNCC(C)O 34a_100000210904_100000742370 [0,2,0,0,0,0|2,0,0]=4 4268 B10R0.55 COC(=O)CCNCC(F)F 34a_100000765723_100000742370 [0,2,0,0,0,0|2,0,0]=4 4269 B10R0.55 COC(=O)CCOCC(C)Br 34a_100012180447_100000742370 [0,2,0,0,0,0|2,0,0]=4 4270 B10R0.55 COC(=O)CCOCC(C)C 34a_100000210257_100000742370 [0,2,0,0,0,0|2,0,0]=4 4271 B10R0.55 COC(=O)CCOCC(C)F 34a_100015925927_100000742370 [0,2,0,0,0,0|2,0,0]=4 4272 B10R0.55 COC(=O)CCOCC(F)F 34a_100000743014_100000742370 [0,2,0,0,0,0|2,0,0]=4 4273 B10R0.55 COC(=O)CCOC[C@@H](C)Cl 34a_100016084084_100000742370 [0,2,0,0,0,0|2,0,0]=4 4274 B10R0.55 COC(=O)CCOC[C@@H](C)N 34a_100000737577_100000742370 [0,2,0,0,0,0|1,0,0]=3 4275 B10R0.55 COC(=O)CCSCC(=O)N 62a_100000204255_100000747473 [0,2,0,0,0,0|1,0,1]=4 4276 B10R0.55 COC(=O)CCSCC(=O)N 62a_100000747473_100000204255 [0,2,0,0,0,0|1,0,1]=4 4277 B10R0.55 COC(=O)CCSCC(C)C 62a_100000204255_100000210760 [0,2,0,0,0,0|2,0,0]=4 4278 B10R0.55 COC(=O)CCSCC(C)C 62a_100000210624_100000204255 [0,2,0,0,0,0|2,0,0]=4 4279 B10R0.55 COC(=O)CCSCC(C)O 62a_100000204255_100011218427 [0,2,0,0,0,0|2,0,0]=4 4280 B10R0.55 COC(=O)CCSCC(C)O 62a_100011218427_100000204255 [0,2,0,0,0,0|2,0,0]=4 4281 B10R0.55 COC(=O)CCSCC(F)F 62a_100000204255_100011934356 [0,2,0,0,0,0|2,0,0]=4 4282 B10R0.55 COC(=O)CCSCC(F)F 62a_100011934356_100000204255 [0,2,0,0,0,0|2,0,0]=4 4283 B10R0.55 COC(=O)CCSC[C@@H](C)O 62a_100000204255_100009817552 [0,2,0,0,0,0|2,0,0]=4 4284 B10R0.55 COC(=O)CCSC[C@@H](C)O 62a_100009817552_100000204255 [0,2,0,0,0,0|2,0,0]=4 4285 B10R0.55 COC(=O)CNCCC(C)O 2230a_200000755665_100000747449 [0,2,0,0,0,0|2,0,0]=4 4286 B10R0.55 COC(=O)COCCC(=O)N 34a_100000757172_100000747449 [0,2,0,0,0,0|1,0,1]=4 4287 B10R0.55 COC(=O)COCCC(=O)N 7a_100000757172_100000747449 [0,2,0,0,0,0|1,0,1]=4 4288 B10R0.55 COC(=O)COCCC(C)Br 34a_100009893172_100000747449 [0,2,0,0,0,0|2,0,0]=4 4289 B10R0.55 COC(=O)COCCC(C)C 34a_100000210254_100000747449 [0,2,0,0,0,0|2,0,0]=4 4290 B10R0.55 COC(=O)COCCC(C)C 7a_100000210254_100000747449 [0,2,0,0,0,0|2,0,0]=4 4291 B10R0.55 COC(=O)COCCC(F)F 34a_100103093639_100000747449 [0,2,0,0,0,0|2,0,0]=4 4292 B10R0.55 COC(=O)COCC[C@@H](C)N 34a_100000706166_100000747449 [0,2,0,0,0,0|1,0,0]=3 4293 B10R0.55 COC(=O)CSCCC(=O)N 62a_100000744528_100000747449 [0,2,0,0,0,0|1,0,1]=4 4294 B10R0.55 COC(=O)CSCCC(=O)N 62a_100000747449_100000744528 [0,2,0,0,0,0|1,0,1]=4 4295 B10R0.55 COC(=O)CSCCC(C)C 62a_100000210312_100000747449 [0,2,0,0,0,0|2,0,0]=4 4296 B10R0.55 COC(=O)CSCCC(C)C 62a_100000747449_100000210312 [0,2,0,0,0,0|2,0,0]=4 4297 B10R0.55 COC(=O)CSCCC(C)O 62a_100000747449_100012276601 [0,2,0,0,0,0|2,0,0]=4 4298 B10R0.55 COC(=O)CSCCC(C)O 62a_100012276601_100000747449 [0,2,0,0,0,0|2,0,0]=4 4299 B10R0.55 C[C@@H](CO)CNOCC(=O)O 269956a_100000106656_100000059175 [0,2,0,0,0,0|2,0,0]=4 4300 B10R0.55 C[C@@H](CO)COCCC(=O)N 34a_100000757172_100000059175 [0,2,0,0,0,0|2,0,0]=4 4301 B10R0.55 C[C@@H](CO)COCCC(=O)N 7a_100000757172_100000059175 [0,2,0,0,0,0|2,0,0]=4 4302 B10R0.55 C[C@@H](CO)CSCCC(=O)N 62a_100000059175_100000744528 [0,2,0,0,0,0|2,0,0]=4 4303 B10R0.55 C[C@@H](CO)CSCCC(=O)N 62a_100000744528_100000059175 [0,2,0,0,0,0|2,0,0]=4 4304 B10R0.55 C[C@H](CO)SCCCC(=O)N 62a_100016084084_100102525003 [0,2,0,0,0,0|2,0,0]=4 4305 B10R0.55 C[C@H](CO)SCCCC(=O)N 62a_100102525003_100016084084 [0,2,0,0,0,0|2,0,0]=4 4306 B10R0.55 NC(=O)CCCNC(=O)CO 240690a_100000739312_100000210174 [0,2,0,0,0,0|1,0,1]=4 4307 B10R0.55 NC(=O)CCCNC(=O)CO 527a_100000739312_100000210174 [0,2,0,0,0,0|1,0,1]=4 4308 B10R0.55 NC(=O)CCNC[C@@H](F)CO 34a_100015665980_100000731001 [0,2,0,0,0,0|2,0,0]=4 4309 B10R0.55 NC(=O)CCNC[C@H](O)CO 2230a_100020644852_100000744528 [0,2,0,0,0,0|2,0,0]=4 4310 B10R0.55 NC(=O)CCOCC(Cl)CCl 34a_100000033668_100000731001 [0,2,0,0,0,0|2,0,0]=4 4311 B10R0.55 NC(=O)CCOCC(O)CO 34a_100000757172_100011219619 [0,2,0,0,0,0|2,0,0]=4 4312 B10R0.55 NC(=O)CCOCC(O)CO 7a_100000757172_100011219619 [0,2,0,0,0,0|2,0,0]=4 4313 B10R0.55 NC(=O)CCOC[C@@H](O)CF 34a_100000757172_100015614560 [0,2,0,0,0,0|2,0,0]=4 4314 B10R0.55 NC(=O)CCOC[C@@H](O)CF 7a_100000757172_100015614560 [0,2,0,0,0,0|2,0,0]=4 4315 B10R0.55 NC(=O)CCOC[C@@H](O)CO 34a_100000757172_100009815848 [0,2,0,0,0,0|2,0,0]=4 4316 B10R0.55 NC(=O)CCOC[C@@H](O)CO 7a_100000757172_100009815848 [0,2,0,0,0,0|2,0,0]=4 4317 B10R0.55 NC(=O)CCSCC(O)CO 62a_100000744528_100011219619 [0,2,0,0,0,0|2,0,0]=4 4318 B10R0.55 NC(=O)CCSCC(O)CO 62a_100011219619_100000744528 [0,2,0,0,0,0|2,0,0]=4 4319 B10R0.55 NC(=O)CCSC[C@@H](O)CF 62a_100000744528_100015614560 [0,2,0,0,0,0|2,0,0]=4 4320 B10R0.55 NC(=O)CCSC[C@@H](O)CF 62a_100015614560_100000744528 [0,2,0,0,0,0|2,0,0]=4 4321 B10R0.55 NC(=O)CCSC[C@@H](O)CO 62a_100000744528_100009815848 [0,2,0,0,0,0|2,0,0]=4 4322 B10R0.55 NC(=O)CCSC[C@@H](O)CO 62a_100009815848_100000744528 [0,2,0,0,0,0|2,0,0]=4 4323 B10R0.55 NC(=O)COCCC(=O)CO 1458a_100000210174_100000076697 [0,2,0,0,0,0|1,0,1]=4 4324 B10R0.55 NC[C@@H](F)COCCC(=O)N 34a_100015665980_100000731001 [0,2,0,0,0,0|1,0,0]=3 4325 B10R0.55 O=C(CO)CCCCB(O)O 1458a_100000210174_200009817182 [0,2,0,0,0,0|2,0,0]=4 4326 B10R0.55 O=C(CO)CCOCC(F)F 1458a_100000210174_200012177212 [0,2,0,0,0,0|2,0,0]=4 4327 B10R0.55 O=C(O)CONCC(O)CO 269956a_100000106656_100011219619 [0,2,0,0,0,0|2,0,0]=4 4328 B10R0.55 O=C(O)CONC[C@@H](O)CF 269956a_100000106656_100015614560 [0,2,0,0,0,0|2,0,0]=4 4329 B10R0.55 O=C(O)CONC[C@@H](O)CO 269956a_100000106656_100009815848 [0,2,0,0,0,0|2,0,0]=4 4330 B10R0.74 C#CC(=O)CCCCCC#N 1458a_100000211873_100009813376 [0,2,0,0,0,0|1,0,1]=4 4331 B10R0.74 C#CC(=O)CCCCCC=C 1458a_100000211873_100000700193 [0,2,0,0,0,0|2,0,0]=4 4332 B10R0.74 C#CC(=O)CCCCCCC 1458a_100000211873_100000210614 [0,2,0,0,0,0|2,0,0]=4 4333 B10R0.74 C#CC(=O)CCCCCCF 1458a_100000211873_100015922095 [0,2,0,0,0,0|2,0,0]=4 4334 B10R0.74 C#CC(=O)CCCCCCO 1458a_100000211873_100000766143 [0,2,0,0,0,0|2,0,0]=4 4335 B10R0.74 C#CC(=O)CCOCCCC 1458a_100000211873_100000743108 [0,2,0,0,0,0|2,0,0]=4 4336 B10R0.74 C#CC(O)CCCCCNC 2230a_106832991635_200010408556 [0,2,0,0,0,0|1,0,1]=4 4337 B10R0.74 C#CC(O)CCCCCNC 34a_100102657272_200010408556 [0,2,0,0,0,0|1,0,1]=4 4338 B10R0.74 C#CC(O)CCCCCNC 7a_106832991635_200010408556 [0,2,0,0,0,0|1,0,1]=4 4339 B10R0.74 C#CCCCCCC(=O)C#C 1458a_100000211873_100012094781 [0,2,0,0,0,0|2,0,0]=4 4340 B10R0.74 C#CCCCCCC(=O)C=C 1458a_100000185746_100012094781 [0,2,0,0,0,0|2,0,0]=4 4341 B10R0.74 C#CCCCCCC(=O)CC 1458a_100000210414_100012094781 [0,2,0,0,0,0|2,0,0]=4 4342 B10R0.74 C#CCCCCCC(=O)CC 1458a_100000694772_100000210202 [0,2,0,0,0,0|2,0,0]=4 4343 B10R0.74 C#CCCCCCC(=O)CF 1458a_100000694772_100015361967 [0,2,0,0,0,0|2,0,0]=4 4344 B10R0.74 C#CCCCCCC(=O)CO 1458a_100000210174_100012094781 [0,2,0,0,0,0|1,0,0]=3 4345 B10R0.74 C#CCCCCCC(=O)NC 11a_106832991635_100000694772 [0,2,0,0,0,0|2,0,0]=4 4346 B10R0.74 C#CCCCCCC(=O)NC 1626a_100102657272_100000694772 [0,2,0,0,0,0|2,0,0]=4 4347 B10R0.74 C#CCCCCCC(=O)NC 240690a_100102657272_100000694772 [0,2,0,0,0,0|2,0,0]=4 4348 B10R0.74 C#CCCCCCC(=O)NC 527a_100102657272_100000694772 [0,2,0,0,0,0|2,0,0]=4 4349 B10R0.74 C#CCCCCNC(=O)CO 240690a_100000706060_100000210174 [0,2,0,0,0,0|1,0,1]=4 4350 B10R0.74 C#CCCCCNC(=O)CO 527a_100000706060_100000210174 [0,2,0,0,0,0|1,0,1]=4 4351 B10R0.74 C#CCCCNCC(=O)OC 34a_100000718082_100000747449 [0,2,0,0,0,0|1,0,1]=4 4352 B10R0.74 C#CCCCOCC(=O)OC 34a_100000215630_100000747449 [0,2,0,0,0,0|1,0,1]=4 4353 B10R0.74 C#CCCCOCC(=O)OC 7a_100000215630_100000747449 [0,2,0,0,0,0|1,0,1]=4 4354 B10R0.74 C#CCCCSCC(=O)OC 62a_100000747449_100011215417 [0,2,0,0,0,0|1,0,1]=4 4355 B10R0.74 C#CCCCSCC(=O)OC 62a_100011215417_100000747449 [0,2,0,0,0,0|1,0,1]=4 4356 B10R0.74 C#CCCNCCC(=O)OC 34a_100000755551_100000742370 [0,2,0,0,0,0|1,0,1]=4 4357 B10R0.74 C#CCCOCCC(=O)OC 34a_100011215631_100000742370 [0,2,0,0,0,0|1,0,1]=4 4358 B10R0.74 C#CCCSCCC(=O)OC 62a_100000204255_100000688953 [0,2,0,0,0,0|1,0,1]=4 4359 B10R0.74 C#CCCSCCC(=O)OC 62a_100000688953_100000204255 [0,2,0,0,0,0|1,0,1]=4 4360 B10R0.74 C#CCNCCCC(=O)OC 34a_100000212058_100000742333 [0,2,0,0,0,0|1,0,1]=4 4361 B10R0.74 C#CCOCCCC(=O)OC 34a_100000210247_100000742333 [0,2,0,0,0,0|1,0,1]=4 4362 B10R0.74 C#CCSCCCC(=O)OC 62a_100000038162_100011218270 [0,2,0,0,0,0|1,0,1]=4 4363 B10R0.74 C=C(C#N)COCCCCN 34a_100000750430_100000694840 [0,2,0,0,0,0|2,0,0]=4 4364 B10R0.74 C=CC(=O)CCCCCC#N 1458a_100000185746_100009813376 [0,2,0,0,0,0|1,0,1]=4 4365 B10R0.74 C=CC(=O)CCCCCCC 1458a_100000185746_100000210614 [0,2,0,0,0,0|2,0,0]=4 4366 B10R0.74 C=CC(=O)CCCCCCF 1458a_100000185746_100015922095 [0,2,0,0,0,0|2,0,0]=4 4367 B10R0.74 C=CC(=O)CCCCCCO 1458a_100000185746_100000766143 [0,2,0,0,0,0|2,0,0]=4 4368 B10R0.74 C=CC(=O)CCOCCCC 1458a_100000185746_100000743108 [0,2,0,0,0,0|2,0,0]=4 4369 B10R0.74 C=CC(=O)NCCCCCC 1626a_100000210581_100000185746 [0,2,0,0,0,0|2,0,0]=4 4370 B10R0.74 C=CC(=O)NCCCCCC 240690a_100000210581_200121576911 [0,2,0,0,0,0|2,0,0]=4 4371 B10R0.74 C=CC(=O)NCCCCCO 240690a_100000762737_200121576911 [0,2,0,0,0,0|2,0,0]=4 4372 B10R0.74 C=CC(=O)OCCOCCN 34a_100000210304_100009813456 [0,2,0,0,0,0|2,0,0]=4 4373 B10R0.74 C=CC(O)COCCCCN 34a_100000750430_100000730141 [0,2,0,0,0,0|1,0,1]=4 4374 B10R0.74 C=CCCCCCC(=O)C=C 1458a_100000185746_100000700193 [0,2,0,0,0,0|2,0,0]=4 4375 B10R0.74 C=CCCCCCC(=O)CC 1458a_100000210414_100000700193 [0,2,0,0,0,0|2,0,0]=4 4376 B10R0.74 C=CCCCCCC(=O)CC 1458a_100011934241_100000210202 [0,2,0,0,0,0|2,0,0]=4 4377 B10R0.74 C=CCCCCCC(=O)CF 1458a_100011934241_100015361967 [0,2,0,0,0,0|2,0,0]=4 4378 B10R0.74 C=CCCCCCC(=O)CO 1458a_100000210174_100000700193 [0,2,0,0,0,0|1,0,0]=3 4379 B10R0.74 C=CCCCCCC(=O)NC 11a_106832991635_100011934241 [0,2,0,0,0,0|2,0,0]=4 4380 B10R0.74 C=CCCCCCC(=O)NC 1626a_100102657272_100011934241 [0,2,0,0,0,0|2,0,0]=4 4381 B10R0.74 C=CCCCCCC(=O)NC 240690a_100102657272_100011934241 [0,2,0,0,0,0|2,0,0]=4 4382 B10R0.74 C=CCCCCCC(=O)NC 527a_100102657272_100011934241 [0,2,0,0,0,0|2,0,0]=4 4383 B10R0.74 C=CCCCCNC(=O)CO 240690a_100000703577_100000210174 [0,2,0,0,0,0|1,0,1]=4 4384 B10R0.74 C=CCCCCNC(=O)CO 527a_100000703577_100000210174 [0,2,0,0,0,0|1,0,1]=4 4385 B10R0.74 C=CCCCNCC(=O)OC 2230a_100000700776_100000747449 [0,2,0,0,0,0|1,0,1]=4 4386 B10R0.74 C=CCCCNCC(=O)OC 34a_100000700776_100000747449 [0,2,0,0,0,0|1,0,1]=4 4387 B10R0.74 C=CCCCOCC(=O)OC 34a_100000758997_100000747449 [0,2,0,0,0,0|1,0,1]=4 4388 B10R0.74 C=CCCCOCC(=O)OC 7a_100000758997_100000747449 [0,2,0,0,0,0|1,0,1]=4 4389 B10R0.74 C=CCCCSCC(=O)OC 62a_100000747449_100000757094 [0,2,0,0,0,0|1,0,1]=4 4390 B10R0.74 C=CCCCSCC(=O)OC 62a_100011713584_100000747449 [0,2,0,0,0,0|1,0,1]=4 4391 B10R0.74 C=CCCNCCC(=O)OC 2230a_100015191253_100000204255 [0,2,0,0,0,0|1,0,1]=4 4392 B10R0.74 C=CCCOCCC(=O)OC 34a_100011205117_100000742370 [0,2,0,0,0,0|1,0,1]=4 4393 B10R0.74 C=CCCSCCC(=O)OC 62a_100000204255_100000754431 [0,2,0,0,0,0|1,0,1]=4 4394 B10R0.74 C=CCCSCCC(=O)OC 62a_100000754431_100000204255 [0,2,0,0,0,0|1,0,1]=4 4395 B10R0.74 C=CCNCCCC(=O)OC 2230a_100020586998_100011218270 [0,2,0,0,0,0|1,0,1]=4 4396 B10R0.74 C=CCOCCCC(=O)OC 34a_200000210373_100000742333 [0,2,0,0,0,0|1,0,1]=4 4397 B10R0.74 C=CCSCCCC(=O)OC 62a_100000210623_100011218270 [0,2,0,0,0,0|1,0,1]=4 4398 B10R0.74 C=CCSCCCC(=O)OC 62a_100011218270_100000210623 [0,2,0,0,0,0|1,0,1]=4 4399 B10R0.74 CC(CO)OCCCCCN 34a_100000762737_100012180447 [0,2,0,0,0,0|1,0,1]=4 4400 B10R0.74 CCC(=O)CCCCCC#N 1458a_100000210414_100009813376 [0,2,0,0,0,0|1,0,1]=4 4401 B10R0.74 CCC(=O)CCCCCCF 1458a_100000210414_100015922095 [0,2,0,0,0,0|2,0,0]=4 4402 B10R0.74 CCC(=O)CCCCCCO 1458a_100000210414_100000766143 [0,2,0,0,0,0|2,0,0]=4 4403 B10R0.74 CCC(=O)CCCCCCO 1458a_100011996774_100000210202 [0,2,0,0,0,0|2,0,0]=4 4404 B10R0.74 CCC(=O)CCCCCOC 1458a_100011935119_100000210202 [0,2,0,0,0,0|2,0,0]=4 4405 B10R0.74 CCC(=O)COCCCCCl 7a_100000210776_100000747405 [0,2,0,0,0,0|2,0,0]=4 4406 B10R0.74 CCC(=O)COCCCCF 34a_100000725409_100000729493 [0,2,0,0,0,0|2,0,0]=4 4407 B10R0.74 CCC(=O)COCCCCF 7a_100011995726_100000747405 [0,2,0,0,0,0|2,0,0]=4 4408 B10R0.74 CCC(=O)COCCCCO 34a_100000725409_100011216708 [0,2,0,0,0,0|2,0,0]=4 4409 B10R0.74 CCC(=O)CSCCCCF 62a_100000729493_100000747405 [0,2,0,0,0,0|2,0,0]=4 4410 B10R0.74 CCC(=O)CSCCCCF 62a_100000747405_100000729493 [0,2,0,0,0,0|2,0,0]=4 4411 B10R0.74 CCC(=O)CSCCCCO 62a_100000210776_100000747405 [0,2,0,0,0,0|2,0,0]=4 4412 B10R0.74 CCC(=O)CSCCCCO 62a_100000747405_100000210776 [0,2,0,0,0,0|2,0,0]=4 4413 B10R0.74 CCC(=O)NCCCCCO 240690a_100000762737_100000210414 [0,2,0,0,0,0|2,0,0]=4 4414 B10R0.74 CCC(O)COCCCCN 34a_100000750430_100011218378 [0,2,0,0,0,0|1,0,1]=4 4415 B10R0.74 CCCCCCCC(=O)CC 1458a_100000210414_100000210614 [0,2,0,0,0,0|2,0,0]=4 4416 B10R0.74 CCCCCCCC(=O)CC 1458a_100000211969_100000210202 [0,2,0,0,0,0|2,0,0]=4 4417 B10R0.74 CCCCCCCC(=O)CF 1458a_100000211969_100015361967 [0,2,0,0,0,0|2,0,0]=4 4418 B10R0.74 CCCCCCCC(=O)CO 1458a_100000210174_100000210614 [0,2,0,0,0,0|1,0,0]=3 4419 B10R0.74 CCCCCCCC(=O)NC 11a_106832991635_100000211969 [0,2,0,0,0,0|2,0,0]=4 4420 B10R0.74 CCCCCCCC(=O)NC 1626a_100102657272_100000211969 [0,2,0,0,0,0|2,0,0]=4 4421 B10R0.74 CCCCCCCC(=O)NC 240690a_100102657272_100000211969 [0,2,0,0,0,0|2,0,0]=4 4422 B10R0.74 CCCCCCCC(=O)NC 527a_100102657272_100000211969 [0,2,0,0,0,0|2,0,0]=4 4423 B10R0.74 CCCCCCNC(=O)CC 11a_100000210581_100000210414 [0,2,0,0,0,0|2,0,0]=4 4424 B10R0.74 CCCCCCNC(=O)CC 1626a_100000210581_100000210414 [0,2,0,0,0,0|2,0,0]=4 4425 B10R0.74 CCCCCCNC(=O)CC 240690a_100000210581_100000210414 [0,2,0,0,0,0|2,0,0]=4 4426 B10R0.74 CCCCCCNC(=O)CC 527a_100000210581_100000210414 [0,2,0,0,0,0|2,0,0]=4 4427 B10R0.74 CCCCCCNC(=O)CO 240690a_100000210581_100000210174 [0,2,0,0,0,0|1,0,0]=3 4428 B10R0.74 CCCCCCNC(=O)CO 527a_100000210581_100000210174 [0,2,0,0,0,0|1,0,0]=3 4429 B10R0.74 CCCCCCNC(=O)NC 2708a_100000210581_106832991635 [0,2,0,0,0,0|2,0,0]=4 4430 B10R0.74 CCCCCCNC(=O)NC 2708a_100102657272_100000210581 [0,2,0,0,0,0|2,0,0]=4 4431 B10R0.74 CCCCCCNC(=O)NC 273464a_100000210581_100102657272 [0,2,0,0,0,0|2,0,0]=4 4432 B10R0.74 CCCCCCNC(=O)NC 273464a_100102657272_100000210581 [0,2,0,0,0,0|2,0,0]=4 4433 B10R0.74 CCCCCCNC(=O)NC 512a_100000210581_100102657272 [0,2,0,0,0,0|2,0,0]=4 4434 B10R0.74 CCCCCCNC(=O)NC 512a_106832991638_100000210581 [0,2,0,0,0,0|2,0,0]=4 4435 B10R0.74 CCCCCNCC(=O)NC 2230a_100000209983_100000183359 [0,2,0,0,0,0|2,0,0]=4 4436 B10R0.74 CCCCCNCC(=O)NC 2230a_100000693194_100000210326 [0,2,0,0,0,0|2,0,0]=4 4437 B10R0.74 CCCCCNCC(=O)OC 2230a_100000209983_100000747449 [0,2,0,0,0,0|1,0,0]=3 4438 B10R0.74 CCCCCNNC(=O)CO 22a_100000694160_100000210174 [0,2,0,0,0,0|2,0,0]=4 4439 B10R0.74 CCCCCOCC(=O)CC 34a_100000725409_100000718602 [0,2,0,0,0,0|2,0,0]=4 4440 B10R0.74 CCCCCOCC(=O)CC 7a_100000210253_100000747405 [0,2,0,0,0,0|2,0,0]=4 4441 B10R0.74 CCCCCOCC(=O)NC 34a_100000210253_100000183359 [0,2,0,0,0,0|2,0,0]=4 4442 B10R0.74 CCCCCOCC(=O)NC 34a_100000750040_100000718602 [0,2,0,0,0,0|2,0,0]=4 4443 B10R0.74 CCCCCOCC(=O)NC 7a_100000210253_100000183359 [0,2,0,0,0,0|2,0,0]=4 4444 B10R0.74 CCCCCOCC(=O)OC 34a_100000210253_100000747449 [0,2,0,0,0,0|1,0,0]=3 4445 B10R0.74 CCCCCOCC(=O)OC 7a_100000210253_100000747449 [0,2,0,0,0,0|1,0,0]=3 4446 B10R0.74 CCCCCSCC(=O)CC 62a_100000210326_100000747405 [0,2,0,0,0,0|2,0,0]=4 4447 B10R0.74 CCCCCSCC(=O)CC 62a_100000747405_100000210326 [0,2,0,0,0,0|2,0,0]=4 4448 B10R0.74 CCCCCSCC(=O)NC 62a_100000183359_100000210326 [0,2,0,0,0,0|2,0,0]=4 4449 B10R0.74 CCCCCSCC(=O)NC 62a_100000210326_100000183359 [0,2,0,0,0,0|2,0,0]=4 4450 B10R0.74 CCCCCSCC(=O)OC 62a_100000210326_100000747449 [0,2,0,0,0,0|1,0,0]=3 4451 B10R0.74 CCCCCSCC(=O)OC 62a_100000747449_100000210326 [0,2,0,0,0,0|1,0,0]=3 4452 B10R0.74 CCCCNCCC(=O)NC 2230a_100000102301_100000737683 [0,2,0,0,0,0|2,0,0]=4 4453 B10R0.74 CCCCNCCC(=O)NC 2230a_100000738227_100000210211 [0,2,0,0,0,0|2,0,0]=4 4454 B10R0.74 CCCCNCCC(=O)NC 34a_100000738227_100000210210 [0,2,0,0,0,0|2,0,0]=4 4455 B10R0.74 CCCCNCCC(=O)NC 7a_106832991798_100000737683 [0,2,0,0,0,0|2,0,0]=4 4456 B10R0.74 CCCCNCCC(=O)OC 2230a_100000102301_100000204255 [0,2,0,0,0,0|1,0,0]=3 4457 B10R0.74 CCCCNCCC(=O)OC 7a_106832991798_100000204255 [0,2,0,0,0,0|1,0,0]=3 4458 B10R0.74 CCCCOCCC(=NO)N 34a_100000749954_100000210210 [0,2,0,0,0,0|2,0,0]=4 4459 B10R0.74 CCCCOCCC(=O)CC 1458a_100000210414_100000743108 [0,2,0,0,0,0|2,0,0]=4 4460 B10R0.74 CCCCOCCC(=O)CO 1458a_100000210174_100000743108 [0,2,0,0,0,0|1,0,0]=3 4461 B10R0.74 CCCCOCCC(=O)NC 34a_100000210227_100012179268 [0,2,0,0,0,0|2,0,0]=4 4462 B10R0.74 CCCCOCCC(=O)NC 34a_100000754576_100000210210 [0,2,0,0,0,0|2,0,0]=4 4463 B10R0.74 CCCCOCCC(=O)NC 7a_100000210227_100000737683 [0,2,0,0,0,0|2,0,0]=4 4464 B10R0.74 CCCCOCCC(=O)OC 34a_100000210227_100000742370 [0,2,0,0,0,0|1,0,0]=3 4465 B10R0.74 CCCCOCCC(=O)OC 7a_100000210227_100000204255 [0,2,0,0,0,0|1,0,0]=3 4466 B10R0.74 CCCCSCCC(=O)NC 62a_100000210211_100000737683 [0,2,0,0,0,0|2,0,0]=4 4467 B10R0.74 CCCCSCCC(=O)NC 62a_100000737683_100000210210 [0,2,0,0,0,0|2,0,0]=4 4468 B10R0.74 CCCCSCCC(=O)OC 62a_100000204255_100000210210 [0,2,0,0,0,0|1,0,0]=3 4469 B10R0.74 CCCCSCCC(=O)OC 62a_100000210211_100000204255 [0,2,0,0,0,0|1,0,0]=3 4470 B10R0.74 CCCCSCOC(=O)OC 62a_100000210211_100000139417 [0,2,0,0,0,0|2,0,0]=4 4471 B10R0.74 CCCNCCCC(=O)NC 2230a_100000740002_100000210303 [0,2,0,0,0,0|2,0,0]=4 4472 B10R0.74 CCCNCCCC(=O)NC 34a_100000740002_100000210303 [0,2,0,0,0,0|2,0,0]=4 4473 B10R0.74 CCCOCCCC(=O)NC 34a_100000210258_100000741757 [0,2,0,0,0,0|2,0,0]=4 4474 B10R0.74 CCCOCCCC(=O)NN 34a_100000211488_100000210303 [0,2,0,0,0,0|2,0,0]=4 4475 B10R0.74 CCCOCCCC(=O)OC 34a_100000210258_100000742333 [0,2,0,0,0,0|1,0,0]=3 4476 B10R0.74 CCCOCCNC(=O)CO 240690a_100161115042_100000210174 [0,2,0,0,0,0|2,0,0]=4 4477 B10R0.74 CCCOCCNC(=O)CO 527a_100161115042_100000210174 [0,2,0,0,0,0|2,0,0]=4 4478 B10R0.74 CCCOCCNC(=O)OC 34a_100000757965_100000210303 [0,2,0,0,0,0|2,0,0]=4 4479 B10R0.74 CCCOCCOC(=O)OC 34a_100010262106_100000210303 [0,2,0,0,0,0|2,0,0]=4 4480 B10R0.74 CCCSCCCC(=O)NC 62a_100000210303_100000741757 [0,2,0,0,0,0|2,0,0]=4 4481 B10R0.74 CCCSCCCC(=O)NC 62a_100000741757_100000210303 [0,2,0,0,0,0|2,0,0]=4 4482 B10R0.74 CCCSCCCC(=O)OC 62a_100000210303_100011218270 [0,2,0,0,0,0|1,0,0]=3 4483 B10R0.74 CCCSCCCC(=O)OC 62a_100011218270_100000210303 [0,2,0,0,0,0|1,0,0]=3 4484 B10R0.74 CCCSCCNC(=O)CO 240690a_100020603323_100000210174 [0,2,0,0,0,0|2,0,0]=4 4485 B10R0.74 CCCSCCNC(=O)CO 527a_100020603323_100000210174 [0,2,0,0,0,0|2,0,0]=4 4486 B10R0.74 CCNCCCCC(=O)OC 2230a_100015525214_100000204269 [0,2,0,0,0,0|1,0,0]=3 4487 B10R0.74 CCNCCOCC(=O)OC 2230a_100015525214_100000090808 [0,2,0,0,0,0|2,0,0]=4 4488 B10R0.74 CCOCCCCC(=O)OC 34a_100000059025_100000210202 [0,2,0,0,0,0|1,0,0]=3 4489 B10R0.74 CCOCCCCC(=O)OC 34a_100121572206_100000204269 [0,2,0,0,0,0|1,0,0]=3 4490 B10R0.74 CCOCCCCC(=O)OC 7a_100000059025_100000210202 [0,2,0,0,0,0|1,0,0]=3 4491 B10R0.74 CCOCCCNC(=O)CO 240690a_100000210961_100000210174 [0,2,0,0,0,0|2,0,0]=4 4492 B10R0.74 CCOCCCNC(=O)CO 527a_100000210961_100000210174 [0,2,0,0,0,0|2,0,0]=4 4493 B10R0.74 CCOCCNCC(=O)OC 2230a_102516460346_100000747449 [0,2,0,0,0,0|2,0,0]=4 4494 B10R0.74 CCOCCNCC(=O)OC 34a_102516460346_100000747449 [0,2,0,0,0,0|2,0,0]=4 4495 B10R0.74 CCOCCOCC(=O)OC 34a_100000210136_100000747449 [0,2,0,0,0,0|2,0,0]=4 4496 B10R0.74 CCOCCOCC(=O)OC 34a_100121572206_100000090808 [0,2,0,0,0,0|2,0,0]=4 4497 B10R0.74 CCOCCOCC(=O)OC 7a_100000210136_100000747449 [0,2,0,0,0,0|2,0,0]=4 4498 B10R0.74 CCOCCSCC(=O)OC 62a_100000210147_100000747449 [0,2,0,0,0,0|2,0,0]=4 4499 B10R0.74 CCOCCSCC(=O)OC 62a_100000747449_100011215890 [0,2,0,0,0,0|2,0,0]=4 4500 B10R0.74 CCOCSCCC(=O)OC 62a_100000204255_100000739092 [0,2,0,0,0,0|2,0,0]=4 4501 B10R0.74 CCOCSCCC(=O)OC 62a_100000739092_100000204255 [0,2,0,0,0,0|2,0,0]=4 4502 B10R0.74 CCSCCCCC(=O)OC 62a_100000204269_100000210202 [0,2,0,0,0,0|1,0,0]=3 4503 B10R0.74 CCSCCCCC(=O)OC 62a_100000210202_100000204269 [0,2,0,0,0,0|1,0,0]=3 4504 B10R0.74 CCSCCNCC(=O)OC 2230a_100000106463_100000747449 [0,2,0,0,0,0|2,0,0]=4 4505 B10R0.74 CCSCCOCC(=O)OC 34a_100000212035_100000747449 [0,2,0,0,0,0|2,0,0]=4 4506 B10R0.74 CCSCCOCC(=O)OC 62a_100000090808_100000210202 [0,2,0,0,0,0|2,0,0]=4 4507 B10R0.74 CCSCCOCC(=O)OC 62a_100000210202_100000090808 [0,2,0,0,0,0|2,0,0]=4 4508 B10R0.74 CCSCCOCC(=O)OC 7a_100000212035_100000747449 [0,2,0,0,0,0|2,0,0]=4 4509 B10R0.74 CCSCCSCC(=O)OC 62a_100000747449_100000757381 [0,2,0,0,0,0|2,0,0]=4 4510 B10R0.74 CCSCCSCC(=O)OC 62a_100000757381_100000747449 [0,2,0,0,0,0|2,0,0]=4 4511 B10R0.74 CNC(=O)CCCCCCO 240690a_100102657272_100011996774 [0,2,0,0,0,0|2,0,0]=4 4512 B10R0.74 CNC(=O)CCCCCOC 11a_106832991635_100011935119 [0,2,0,0,0,0|2,0,0]=4 4513 B10R0.74 CNC(=O)CCCCCOC 1626a_100102657272_100011935119 [0,2,0,0,0,0|2,0,0]=4 4514 B10R0.74 CNC(=O)CCCCCOC 240690a_100102657272_100011935119 [0,2,0,0,0,0|2,0,0]=4 4515 B10R0.74 CNC(=O)CCCCCOC 527a_100102657272_100011935119 [0,2,0,0,0,0|2,0,0]=4 4516 B10R0.74 CNC(=O)CCCNCCF 2230a_100000740002_100011217306 [0,2,0,0,0,0|2,0,0]=4 4517 B10R0.74 CNC(=O)CCCNCCF 34a_100000724931_100000741757 [0,2,0,0,0,0|2,0,0]=4 4518 B10R0.74 CNC(=O)CCCNCCF 34a_100000740002_100011217306 [0,2,0,0,0,0|2,0,0]=4 4519 B10R0.74 CNC(=O)CCCNCCO 2230a_100000740002_100000211926 [0,2,0,0,0,0|2,0,0]=4 4520 B10R0.74 CNC(=O)CCCNCCO 2230a_100016997473_100000741757 [0,2,0,0,0,0|2,0,0]=4 4521 B10R0.74 CNC(=O)CCCNCCO 34a_100000740002_100000211926 [0,2,0,0,0,0|2,0,0]=4 4522 B10R0.74 CNC(=O)CCCNCCO 34a_100016990907_100000741757 [0,2,0,0,0,0|2,0,0]=4 4523 B10R0.74 CNC(=O)CCCOCCBr 34a_100000211926_100000741757 [0,2,0,0,0,0|2,0,0]=4 4524 B10R0.74 CNC(=O)CCCOCCN 34a_100000210304_100000741757 [0,2,0,0,0,0|1,0,0]=3 4525 B10R0.74 CNC(=O)CCCSCCF 62a_100000741757_100011217306 [0,2,0,0,0,0|2,0,0]=4 4526 B10R0.74 CNC(=O)CCCSCCF 62a_100011217306_100000741757 [0,2,0,0,0,0|2,0,0]=4 4527 B10R0.74 CNC(=O)CCCSCCO 62a_100000211926_100000741757 [0,2,0,0,0,0|2,0,0]=4 4528 B10R0.74 CNC(=O)CCCSCCO 62a_100000741757_100000211926 [0,2,0,0,0,0|2,0,0]=4 4529 B10R0.74 CNC(=O)CCNCCCF 2230a_100000738227_100011934791 [0,2,0,0,0,0|2,0,0]=4 4530 B10R0.74 CNC(=O)CCNCCCF 2230a_100015189416_100000737683 [0,2,0,0,0,0|2,0,0]=4 4531 B10R0.74 CNC(=O)CCNCCCF 34a_100000738227_100011934791 [0,2,0,0,0,0|2,0,0]=4 4532 B10R0.74 CNC(=O)CCNCCCF 34a_100015189416_100012179268 [0,2,0,0,0,0|2,0,0]=4 4533 B10R0.74 CNC(=O)CCNCCCO 2230a_100000738227_100000230001 [0,2,0,0,0,0|2,0,0]=4 4534 B10R0.74 CNC(=O)CCNCCCO 34a_100000738227_100000230001 [0,2,0,0,0,0|2,0,0]=4 4535 B10R0.74 CNC(=O)CCOCCCBr 34a_100011217188_100012179268 [0,2,0,0,0,0|2,0,0]=4 4536 B10R0.74 CNC(=O)CCOCCCCl 34a_100000230001_100012179268 [0,2,0,0,0,0|2,0,0]=4 4537 B10R0.74 CNC(=O)CCOCCCF 34a_100000754576_100011934791 [0,2,0,0,0,0|2,0,0]=4 4538 B10R0.74 CNC(=O)CCOCCCF 34a_100000759539_100012179268 [0,2,0,0,0,0|2,0,0]=4 4539 B10R0.74 CNC(=O)CCOCCCN 34a_100000182051_100012179268 [0,2,0,0,0,0|1,0,0]=3 4540 B10R0.74 CNC(=O)CCOCCCO 34a_100000754576_100000230001 [0,2,0,0,0,0|2,0,0]=4 4541 B10R0.74 CNC(=O)CCOCCON 34a_100000700252_100012179268 [0,2,0,0,0,0|2,0,0]=4 4542 B10R0.74 CNC(=O)CCSCCCF 62a_100000737683_100011934791 [0,2,0,0,0,0|2,0,0]=4 4543 B10R0.74 CNC(=O)CCSCCCF 62a_100011934791_100000737683 [0,2,0,0,0,0|2,0,0]=4 4544 B10R0.74 CNC(=O)CCSCCCO 62a_100000737683_100011215043 [0,2,0,0,0,0|2,0,0]=4 4545 B10R0.74 CNC(=O)CCSCCCO 62a_100011215043_100000737683 [0,2,0,0,0,0|2,0,0]=4 4546 B10R0.74 CNC(=O)CNCCCCF 2230a_100000693194_100000729493 [0,2,0,0,0,0|2,0,0]=4 4547 B10R0.74 CNC(=O)CNCCCCO 2230a_100000693194_100000210776 [0,2,0,0,0,0|2,0,0]=4 4548 B10R0.74 CNC(=O)CNCCCCO 2230a_100000750430_100000183359 [0,2,0,0,0,0|2,0,0]=4 4549 B10R0.74 CNC(=O)CNCCCCO 34a_100000750430_100000183359 [0,2,0,0,0,0|2,0,0]=4 4550 B10R0.74 CNC(=O)COCCCCBr 34a_100011216708_100000183359 [0,2,0,0,0,0|2,0,0]=4 4551 B10R0.74 CNC(=O)COCCCCCl 34a_100000210776_100000183359 [0,2,0,0,0,0|2,0,0]=4 4552 B10R0.74 CNC(=O)COCCCCCl 7a_100000210776_100000183359 [0,2,0,0,0,0|2,0,0]=4 4553 B10R0.74 CNC(=O)COCCCCF 34a_100000750040_100000729493 [0,2,0,0,0,0|2,0,0]=4 4554 B10R0.74 CNC(=O)COCCCCF 34a_100011995726_100000183359 [0,2,0,0,0,0|2,0,0]=4 4555 B10R0.74 CNC(=O)COCCCCF 7a_100011995726_100000183359 [0,2,0,0,0,0|2,0,0]=4 4556 B10R0.74 CNC(=O)COCCCCI 34a_200012148704_100000183359 [0,2,0,0,0,0|2,0,0]=4 4557 B10R0.74 CNC(=O)COCCCCN 34a_100000750430_100000183359 [0,2,0,0,0,0|1,0,0]=3 4558 B10R0.74 CNC(=O)COCCCCO 34a_100000750040_100011216708 [0,2,0,0,0,0|2,0,0]=4 4559 B10R0.74 CNC(=O)CSCCCCF 62a_100000183359_100000729493 [0,2,0,0,0,0|2,0,0]=4 4560 B10R0.74 CNC(=O)CSCCCCF 62a_100000729493_100000183359 [0,2,0,0,0,0|2,0,0]=4 4561 B10R0.74 CNC(=O)CSCCCCO 62a_100000183359_100000210776 [0,2,0,0,0,0|2,0,0]=4 4562 B10R0.74 CNC(=O)CSCCCCO 62a_100000210776_100000183359 [0,2,0,0,0,0|2,0,0]=4 4563 B10R0.74 CNC(=O)NCCCCCO 2708a_100102657272_100000762737 [0,2,0,0,0,0|2,0,0]=4 4564 B10R0.74 CNC(=O)NCCCCCO 273464a_100000762737_100102657272 [0,2,0,0,0,0|2,0,0]=4 4565 B10R0.74 CNC(=O)NCCCCCO 273464a_100102657272_100000762737 [0,2,0,0,0,0|2,0,0]=4 4566 B10R0.74 CNC(=O)NCCCCCO 512a_100000762737_100102657272 [0,2,0,0,0,0|2,0,0]=4 4567 B10R0.74 CNC(=O)NCCCCCO 512a_106832991638_100000762737 [0,2,0,0,0,0|2,0,0]=4 4568 B10R0.74 CNC(=O)OCCOCCN 34a_100000210304_200011997002 [0,2,0,0,0,0|2,0,0]=4 4569 B10R0.74 CNCCCCCC(=O)OC 2230a_106832991635_100009816466 [0,2,0,0,0,0|0,0,0]=2 4570 B10R0.74 CNCCCCCC(=O)OC 34a_100102657272_100009816466 [0,2,0,0,0,0|0,0,0]=2 4571 B10R0.74 CNCCCCCC(=O)OC 7a_106832991635_100009816466 [0,2,0,0,0,0|0,0,0]=2 4572 B10R0.74 CNCCCOCC(=O)NC 34a_100000213112_100000183359 [0,2,0,0,0,0|2,0,0]=4 4573 B10R0.74 CNCCCOCC(=O)OC 34a_100000213112_100000747449 [0,2,0,0,0,0|1,0,0]=3 4574 B10R0.74 COC(=O)/C=C/COCCN 34a_100000210304_100000742655 [0,2,0,0,0,0|0,0,2]=4 4575 B10R0.74 COC(=O)CCCCCO[13CH3] 34a_100000074720_200025704644 [0,2,0,0,0,0|1,0,0]=3 4576 B10R0.74 COC(=O)CCCCCO[13CH3] 7a_100000074720_200025704644 [0,2,0,0,0,0|1,0,0]=3 4577 B10R0.74 COC(=O)CCCCCSC 62a_100009816466_200000210301 [0,2,0,0,0,0|1,0,0]=3 4578 B10R0.74 COC(=O)CCCCCSC 62a_200000210301_100009816466 [0,2,0,0,0,0|1,0,0]=3 4579 B10R0.74 COC(=O)CCCCCS[13CH3] 62a_100009816466_200025704644 [0,2,0,0,0,0|1,0,0]=3 4580 B10R0.74 COC(=O)CCCCCS[13CH3] 62a_200025704644_100009816466 [0,2,0,0,0,0|1,0,0]=3 4581 B10R0.74 COC(=O)CCCCOCF 34a_100000059025_100015361967 [0,2,0,0,0,0|1,0,0]=3 4582 B10R0.74 COC(=O)CCCCOCF 7a_100000059025_100015361967 [0,2,0,0,0,0|1,0,0]=3 4583 B10R0.74 COC(=O)CCCCSCF 62a_100000204269_100015361967 [0,2,0,0,0,0|1,0,0]=3 4584 B10R0.74 COC(=O)CCCCSCF 62a_100015361967_100000204269 [0,2,0,0,0,0|1,0,0]=3 4585 B10R0.74 COC(=O)CCCNCCF 34a_100000724931_100000742333 [0,2,0,0,0,0|1,0,0]=3 4586 B10R0.74 COC(=O)CCCNCCO 2230a_100016997473_100011218270 [0,2,0,0,0,0|1,0,0]=3 4587 B10R0.74 COC(=O)CCCNCCO 34a_100016990907_100000742333 [0,2,0,0,0,0|1,0,0]=3 4588 B10R0.74 COC(=O)CCCOCCBr 34a_100000211926_100000742333 [0,2,0,0,0,0|1,0,0]=3 4589 B10R0.74 COC(=O)CCCOCCN 34a_100000210304_100000742333 [0,2,0,0,0,0|0,0,0]=2 4590 B10R0.74 COC(=O)CCCSCC#N 62a_100011215382_100011218270 [0,2,0,0,0,0|0,0,2]=4 4591 B10R0.74 COC(=O)CCCSCC#N 62a_100011218270_100011215382 [0,2,0,0,0,0|0,0,2]=4 4592 B10R0.74 COC(=O)CCCSCC=O 62a_100011218270_200015260668 [0,2,0,0,0,0|1,0,1]=4 4593 B10R0.74 COC(=O)CCCSCC=O 62a_200015260668_100011218270 [0,2,0,0,0,0|1,0,1]=4 4594 B10R0.74 COC(=O)CCCSCCF 62a_100011217306_100011218270 [0,2,0,0,0,0|1,0,0]=3 4595 B10R0.74 COC(=O)CCCSCCF 62a_100011218270_100011217306 [0,2,0,0,0,0|1,0,0]=3 4596 B10R0.74 COC(=O)CCCSCCO 62a_100000211926_100011218270 [0,2,0,0,0,0|1,0,0]=3 4597 B10R0.74 COC(=O)CCCSCCO 62a_100011218270_100000211926 [0,2,0,0,0,0|1,0,0]=3 4598 B10R0.74 COC(=O)CCCSCSC 62a_100011218213_100011218270 [0,2,0,0,0,0|2,0,0]=4 4599 B10R0.74 COC(=O)CCCSCSC 62a_100011218270_100011218213 [0,2,0,0,0,0|2,0,0]=4 4600 B10R0.74 COC(=O)CCNCCCF 2230a_100015189416_100000204255 [0,2,0,0,0,0|1,0,0]=3 4601 B10R0.74 COC(=O)CCNCCCF 34a_100015189416_100000742370 [0,2,0,0,0,0|1,0,0]=3 4602 B10R0.74 COC(=O)CCNCCSC 2230a_100020590264_100000204255 [0,2,0,0,0,0|2,0,0]=4 4603 B10R0.74 COC(=O)CCOCCCBr 34a_100011217188_100000742370 [0,2,0,0,0,0|1,0,0]=3 4604 B10R0.74 COC(=O)CCOCCCCl 34a_100000230001_100000742370 [0,2,0,0,0,0|1,0,0]=3 4605 B10R0.74 COC(=O)CCOCCCF 34a_100000759539_100000742370 [0,2,0,0,0,0|1,0,0]=3 4606 B10R0.74 COC(=O)CCOCCCN 34a_100000182051_100000742370 [0,2,0,0,0,0|0,0,0]=2 4607 B10R0.74 COC(=O)CCOCCON 34a_100000700252_100000742370 [0,2,0,0,0,0|1,0,0]=3 4608 B10R0.74 COC(=O)CCOCCSC 34a_100000230434_100000742370 [0,2,0,0,0,0|2,0,0]=4 4609 B10R0.74 COC(=O)CCOCCSC 7a_100000230434_100000204255 [0,2,0,0,0,0|2,0,0]=4 4610 B10R0.74 COC(=O)CCSCCC#N 62a_100000204255_100011215226 [0,2,0,0,0,0|0,0,2]=4 4611 B10R0.74 COC(=O)CCSCCC#N 62a_100011215226_100000204255 [0,2,0,0,0,0|0,0,2]=4 4612 B10R0.74 COC(=O)CCSCCCF 62a_100000204255_100011934791 [0,2,0,0,0,0|1,0,0]=3 4613 B10R0.74 COC(=O)CCSCCCF 62a_100011934791_100000204255 [0,2,0,0,0,0|1,0,0]=3 4614 B10R0.74 COC(=O)CCSCCCO 62a_100000204255_100011215043 [0,2,0,0,0,0|1,0,0]=3 4615 B10R0.74 COC(=O)CCSCCCO 62a_100011215043_100000204255 [0,2,0,0,0,0|1,0,0]=3 4616 B10R0.74 COC(=O)CCSCCSC 62a_100000204255_100000751147 [0,2,0,0,0,0|2,0,0]=4 4617 B10R0.74 COC(=O)CCSCCSC 62a_100000212216_100000204255 [0,2,0,0,0,0|2,0,0]=4 4618 B10R0.74 COC(=O)CNCCCCO 2230a_100000750430_100000747449 [0,2,0,0,0,0|1,0,0]=3 4619 B10R0.74 COC(=O)CNCCCCO 34a_100000750430_100000747449 [0,2,0,0,0,0|1,0,0]=3 4620 B10R0.74 COC(=O)CNCCCSC 2230a_100000749238_100000747449 [0,2,0,0,0,0|2,0,0]=4 4621 B10R0.74 COC(=O)COCCCCBr 34a_100011216708_100000747449 [0,2,0,0,0,0|1,0,0]=3 4622 B10R0.74 COC(=O)COCCCCCl 34a_100000210776_100000747449 [0,2,0,0,0,0|1,0,0]=3 4623 B10R0.74 COC(=O)COCCCCCl 7a_100000210776_100000747449 [0,2,0,0,0,0|1,0,0]=3 4624 B10R0.74 COC(=O)COCCCCF 34a_100011995726_100000747449 [0,2,0,0,0,0|1,0,0]=3 4625 B10R0.74 COC(=O)COCCCCF 7a_100011995726_100000747449 [0,2,0,0,0,0|1,0,0]=3 4626 B10R0.74 COC(=O)COCCCCI 34a_200012148704_100000747449 [0,2,0,0,0,0|1,0,0]=3 4627 B10R0.74 COC(=O)COCCCCN 34a_100000750430_100000747449 [0,2,0,0,0,0|0,0,0]=2 4628 B10R0.74 COC(=O)COCCCSC 34a_100000690336_100000747449 [0,2,0,0,0,0|2,0,0]=4 4629 B10R0.74 COC(=O)COCCCSC 7a_100000690336_100000747449 [0,2,0,0,0,0|2,0,0]=4 4630 B10R0.74 COC(=O)COCCSCF 62a_100000090808_100015361967 [0,2,0,0,0,0|2,0,0]=4 4631 B10R0.74 COC(=O)COCCSCF 62a_100015361967_100000090808 [0,2,0,0,0,0|2,0,0]=4 4632 B10R0.74 COC(=O)CSCCCC#N 62a_100000687738_100000747449 [0,2,0,0,0,0|0,0,2]=4 4633 B10R0.74 COC(=O)CSCCCC#N 62a_100000747449_100000687738 [0,2,0,0,0,0|0,0,2]=4 4634 B10R0.74 COC(=O)CSCCCC=O 62a_100000747449_200011292268 [0,2,0,0,0,0|1,0,1]=4 4635 B10R0.74 COC(=O)CSCCCC=O 62a_200011292268_100000747449 [0,2,0,0,0,0|1,0,1]=4 4636 B10R0.74 COC(=O)CSCCCCF 62a_100000729493_100000747449 [0,2,0,0,0,0|1,0,0]=3 4637 B10R0.74 COC(=O)CSCCCCF 62a_100000747449_100000729493 [0,2,0,0,0,0|1,0,0]=3 4638 B10R0.74 COC(=O)CSCCCCO 62a_100000210776_100000747449 [0,2,0,0,0,0|1,0,0]=3 4639 B10R0.74 COC(=O)CSCCCCO 62a_100000747449_100000210776 [0,2,0,0,0,0|1,0,0]=3 4640 B10R0.74 COC(=O)NCCOCCF 34a_100000757965_100011217306 [0,2,0,0,0,0|2,0,0]=4 4641 B10R0.74 COC(=O)NCCOCCO 34a_100000757965_100000211926 [0,2,0,0,0,0|2,0,0]=4 4642 B10R0.74 COC(=O)OCCOCCF 34a_100010262106_100011217306 [0,2,0,0,0,0|2,0,0]=4 4643 B10R0.74 COC(=O)OCCOCCO 34a_100010262106_100000211926 [0,2,0,0,0,0|2,0,0]=4 4644 B10R0.74 COC(=O)OCSCCCF 62a_100011934791_100000139417 [0,2,0,0,0,0|2,0,0]=4 4645 B10R0.74 COC(=O)OCSCCCO 62a_100011215043_100000139417 [0,2,0,0,0,0|2,0,0]=4 4646 B10R0.74 COCCCCCC(=O)CF 1458a_100011935119_100015361967 [0,2,0,0,0,0|2,0,0]=4 4647 B10R0.74 COCCCCCC(=O)OC 34a_100000074720_200000210301 [0,2,0,0,0,0|1,0,0]=3 4648 B10R0.74 COCCCCCC(=O)OC 34a_100138415774_100009816466 [0,2,0,0,0,0|1,0,0]=3 4649 B10R0.74 COCCCCCC(=O)OC 7a_100000074720_200000210301 [0,2,0,0,0,0|1,0,0]=3 4650 B10R0.74 COCCCNCC(=O)OC 34a_100150723488_100000747449 [0,2,0,0,0,0|2,0,0]=4 4651 B10R0.74 COCCCOCC(=O)OC 34a_100000740835_100000747449 [0,2,0,0,0,0|2,0,0]=4 4652 B10R0.74 COCCCSCC(=O)OC 62a_100000709357_100000747449 [0,2,0,0,0,0|2,0,0]=4 4653 B10R0.74 COCCCSCC(=O)OC 62a_100000747449_100000709357 [0,2,0,0,0,0|2,0,0]=4 4654 B10R0.74 COCCNCCC(=O)OC 2230a_100000209980_100000204255 [0,2,0,0,0,0|2,0,0]=4 4655 B10R0.74 COCCOCCC(=O)CO 1458a_100000210174_100000695917 [0,2,0,0,0,0|2,0,0]=4 4656 B10R0.74 COCCOCCC(=O)OC 34a_100000210237_100000742370 [0,2,0,0,0,0|2,0,0]=4 4657 B10R0.74 COCCSCCC(=O)OC 62a_100000204255_100000233755 [0,2,0,0,0,0|2,0,0]=4 4658 B10R0.74 COCCSCCC(=O)OC 62a_100000233755_100000204255 [0,2,0,0,0,0|2,0,0]=4 4659 B10R0.74 COCSCCCC(=O)OC 62a_100000766300_100011218270 [0,2,0,0,0,0|2,0,0]=4 4660 B10R0.74 COCSCCCC(=O)OC 62a_100011218270_100000766300 [0,2,0,0,0,0|2,0,0]=4 4661 B10R0.74 C[C@@H](CO)COCCCCN 34a_100000750430_100000059175 [0,2,0,0,0,0|1,0,1]=4 4662 B10R0.74 N#CCCCCCC(=O)CO 1458a_100000210174_100009813376 [0,2,0,0,0,0|0,0,1]=3 4663 B10R0.74 N#CCCCCNC(=O)CO 240690a_100000751965_100000210174 [0,2,0,0,0,0|0,0,2]=4 4664 B10R0.74 N#CCCCCNC(=O)CO 527a_100000751965_100000210174 [0,2,0,0,0,0|0,0,2]=4 4665 B10R0.74 NC(=NO)CCOCCCF 34a_100000749954_100011934791 [0,2,0,0,0,0|2,0,0]=4 4666 B10R0.74 NC(=NO)CCOCCCO 34a_100000749954_100000230001 [0,2,0,0,0,0|2,0,0]=4 4667 B10R0.74 NCCCCOCC(O)CO 34a_100000750430_100011219619 [0,2,0,0,0,0|0,0,2]=4 4668 B10R0.74 NCCCCOC[C@@H](O)CF 34a_100000750430_100015614560 [0,2,0,0,0,0|1,0,1]=4 4669 B10R0.74 NCCCCOC[C@@H](O)CO 34a_100000750430_100009815848 [0,2,0,0,0,0|0,0,2]=4 4670 B10R0.74 NNC(=O)CCCOCCF 34a_100000211488_100011217306 [0,2,0,0,0,0|2,0,0]=4 4671 B10R0.74 NNC(=O)CCCOCCO 34a_100000211488_100000211926 [0,2,0,0,0,0|2,0,0]=4 4672 B10R0.74 O=C(CF)CCCCCCO 1458a_100011996774_100015361967 [0,2,0,0,0,0|2,0,0]=4 4673 B10R0.74 O=C(CO)CCCCCCF 1458a_100000210174_100015922095 [0,2,0,0,0,0|1,0,0]=3 4674 B10R0.74 O=C(CO)CCCCCCO 1458a_100000210174_100000766143 [0,2,0,0,0,0|1,0,0]=3 4675 B10R0.74 O=C(CO)NCCCCCO 240690a_100000762737_100000210174 [0,2,0,0,0,0|1,0,0]=3 4676 B10R0.74 O=C(CO)NCCOCCO 240690a_100000211614_100000210174 [0,2,0,0,0,0|2,0,0]=4 4677 B10R0.74 O=C(CO)NCCSCCO 240690a_100011219999_100000210174 [0,2,0,0,0,0|2,0,0]=4 4678 B10R0.74 O=C(CO)NCCSCCO 527a_100011219999_100000210174 [0,2,0,0,0,0|2,0,0]=4 4679 B10R0.75 C#CCCCCC(=O)C(O)O 1458a_100000233687_100010269958 [0,2,0,0,0,0|1,0,1]=4 4680 B10R0.75 C#CCCCCC(=O)[C@@H](C)O 1458a_100000717761_100010269958 [0,2,0,0,0,0|1,0,1]=4 4681 B10R0.75 C#CCCCCC(=O)[C@H](C)O 1458a_217856618621_100010269958 [0,2,0,0,0,0|1,0,1]=4 4682 B10R0.75 C#CCCCN[C@@H](C)C(=O)O 269956a_100000743915_100011215417 [0,2,0,0,0,0|1,0,1]=4 4683 B10R0.75 C#CCCNCC(C)C(=O)O 269956a_100000749485_100000688953 [0,2,0,0,0,0|1,0,1]=4 4684 B10R0.75 C#CCCNCC(F)C(=O)O 269956a_100000084737_100000688953 [0,2,0,0,0,0|1,0,1]=4 4685 B10R0.75 C=C(C)C(=O)CCCCCC 1458a_100000185857_100000210757 [0,2,0,0,0,0|2,0,0]=4 4686 B10R0.75 C=C(C)C(=O)CCCCCF 1458a_100000185857_100000729378 [0,2,0,0,0,0|2,0,0]=4 4687 B10R0.75 C=C(C)C(=O)CCCCCO 1458a_100000185857_100000746330 [0,2,0,0,0,0|2,0,0]=4 4688 B10R0.75 C=CCCCCC(=O)C(O)O 1458a_100000233687_100011215482 [0,2,0,0,0,0|1,0,1]=4 4689 B10R0.75 C=CCCCCC(=O)[C@@H](C)O 1458a_100000717761_100011215482 [0,2,0,0,0,0|1,0,1]=4 4690 B10R0.75 C=CCCCCC(=O)[C@H](C)O 1458a_217856618621_100011215482 [0,2,0,0,0,0|1,0,1]=4 4691 B10R0.75 C=CCCCN[C@@H](C)C(=O)O 269956a_100000743915_100011713584 [0,2,0,0,0,0|1,0,1]=4 4692 B10R0.75 C=CCCNCC(C)C(=O)O 269956a_100000749485_100000754431 [0,2,0,0,0,0|1,0,1]=4 4693 B10R0.75 C=CCCNCC(F)C(=O)O 269956a_100000084737_100000754431 [0,2,0,0,0,0|1,0,1]=4 4694 B10R0.75 CC(=O)C(=O)COCCCN 34a_100000182051_100011261029 [0,2,0,0,0,0|1,0,1]=4 4695 B10R0.75 CC(=O)C(C)COCCCF 34a_100000032740_100011934791 [0,2,0,0,0,0|2,0,0]=4 4696 B10R0.75 CC(=O)C(C)COCCCF 7a_100000032740_100011934791 [0,2,0,0,0,0|2,0,0]=4 4697 B10R0.75 CC(=O)C(C)COCCCO 34a_100000032740_100000230001 [0,2,0,0,0,0|2,0,0]=4 4698 B10R0.75 CC(=O)C(C)COCCCO 7a_100000032740_100011215043 [0,2,0,0,0,0|2,0,0]=4 4699 B10R0.75 CC(=O)C(C)NCCCCO 2230a_100000750430_100009814033 [0,2,0,0,0,0|2,0,0]=4 4700 B10R0.75 CC(=O)C(C)OCCCCCl 7a_100000210776_100000179758 [0,2,0,0,0,0|2,0,0]=4 4701 B10R0.75 CC(=O)C(C)OCCCCF 34a_100000212229_100000729493 [0,2,0,0,0,0|2,0,0]=4 4702 B10R0.75 CC(=O)C(C)OCCCCF 7a_100011995726_100000179758 [0,2,0,0,0,0|2,0,0]=4 4703 B10R0.75 CC(=O)C(C)OCCCCO 34a_100000212229_100011216708 [0,2,0,0,0,0|2,0,0]=4 4704 B10R0.75 CC(=O)C(C)SCCCCF 62a_100000729493_100009814033 [0,2,0,0,0,0|2,0,0]=4 4705 B10R0.75 CC(=O)C(C)SCCCCF 62a_100009814033_100000729493 [0,2,0,0,0,0|2,0,0]=4 4706 B10R0.75 CC(=O)C(C)SCCCCO 62a_100000210776_100009814033 [0,2,0,0,0,0|2,0,0]=4 4707 B10R0.75 CC(=O)C(C)SCCCCO 62a_100009814033_100000210776 [0,2,0,0,0,0|2,0,0]=4 4708 B10R0.75 CC(=O)N(C)CCCCCO 240690a_100000722520_100015343762 [0,2,0,0,0,0|2,0,0]=4 4709 B10R0.75 CC(C)C(=O)CCCCCF 1458a_100000210198_100000729378 [0,2,0,0,0,0|2,0,0]=4 4710 B10R0.75 CC(C)C(=O)CCCCCO 1458a_100000210198_100000746330 [0,2,0,0,0,0|2,0,0]=4 4711 B10R0.75 CC(C)C(=O)CCCCCO 1458a_100102619762_100000210206 [0,2,0,0,0,0|2,0,0]=4 4712 B10R0.75 CC(C)C(=O)COCCCN 34a_100000182051_100000753385 [0,2,0,0,0,0|2,0,0]=4 4713 B10R0.75 CC(CNCCC#N)C(=O)O 269956a_100000749485_100011215226 [0,2,0,0,0,0|0,0,2]=4 4714 B10R0.75 CC(CNCCCF)C(=O)O 269956a_100000749485_100011934791 [0,2,0,0,0,0|1,0,0]=3 4715 B10R0.75 CC(CNCCCO)C(=O)O 269956a_100000749485_100011215043 [0,2,0,0,0,0|1,0,0]=3 4716 B10R0.75 CC(F)C(=O)CCCCCF 1458a_100000062450_100000729378 [0,2,0,0,0,0|2,0,0]=4 4717 B10R0.75 CC(F)C(=O)CCCCCO 1458a_100000062450_100000746330 [0,2,0,0,0,0|2,0,0]=4 4718 B10R0.75 CC(NCCCCO)C(=O)N 2230a_100000750430_100000702099 [0,2,0,0,0,0|2,0,0]=4 4719 B10R0.75 CC(NCCCCO)C(=O)N 34a_100000750430_100000702099 [0,2,0,0,0,0|2,0,0]=4 4720 B10R0.75 CC(OCCCCBr)C(=O)N 34a_100011216708_100000702099 [0,2,0,0,0,0|2,0,0]=4 4721 B10R0.75 CC(OCCCCCl)C(=O)N 34a_100000210776_100000702099 [0,2,0,0,0,0|2,0,0]=4 4722 B10R0.75 CC(OCCCCCl)C(=O)N 7a_100000210776_100000702099 [0,2,0,0,0,0|2,0,0]=4 4723 B10R0.75 CC(OCCCCF)C(=O)N 34a_100011995726_100000702099 [0,2,0,0,0,0|2,0,0]=4 4724 B10R0.75 CC(OCCCCF)C(=O)N 7a_100011995726_100000702099 [0,2,0,0,0,0|2,0,0]=4 4725 B10R0.75 CC(OCCCCI)C(=O)N 34a_200012148704_100000702099 [0,2,0,0,0,0|2,0,0]=4 4726 B10R0.75 CC(OCCCCN)C(=O)N 34a_100000750430_100000702099 [0,2,0,0,0,0|1,0,0]=3 4727 B10R0.75 CC(SCCCCF)C(=O)N 62a_100000702099_100000729493 [0,2,0,0,0,0|2,0,0]=4 4728 B10R0.75 CC(SCCCCF)C(=O)N 62a_100000729493_100000702099 [0,2,0,0,0,0|2,0,0]=4 4729 B10R0.75 CC(SCCCCO)C(=O)N 62a_100000210776_100000702099 [0,2,0,0,0,0|2,0,0]=4 4730 B10R0.75 CC(SCCCCO)C(=O)N 62a_100000702099_100000210776 [0,2,0,0,0,0|2,0,0]=4 4731 B10R0.75 CCCCCCC(=O)C(C)C 1458a_100000210198_100000210757 [0,2,0,0,0,0|2,0,0]=4 4732 B10R0.75 CCCCCCC(=O)C(C)C 1458a_100102632555_100000210206 [0,2,0,0,0,0|2,0,0]=4 4733 B10R0.75 CCCCCCC(=O)C(C)F 1458a_100000062450_100000210757 [0,2,0,0,0,0|2,0,0]=4 4734 B10R0.75 CCCCCCC(=O)C(O)O 1458a_100000233687_100000210757 [0,2,0,0,0,0|1,0,0]=3 4735 B10R0.75 CCCCCCC(=O)N(C)C 11a_100102631434_100102632555 [0,2,0,0,0,0|2,0,0]=4 4736 B10R0.75 CCCCCCC(=O)N(C)C 1626a_100102631434_100102632555 [0,2,0,0,0,0|2,0,0]=4 4737 B10R0.75 CCCCCCC(=O)N(C)C 240690a_100102631434_100102632555 [0,2,0,0,0,0|2,0,0]=4 4738 B10R0.75 CCCCCCC(=O)N(C)C 527a_100102631434_100102632555 [0,2,0,0,0,0|2,0,0]=4 4739 B10R0.75 CCCCCCC(=O)[C@@H](C)O 1458a_100000717761_100000210757 [0,2,0,0,0,0|1,0,0]=3 4740 B10R0.75 CCCCCCC(=O)[C@H](C)O 1458a_217856618621_100000210757 [0,2,0,0,0,0|1,0,0]=3 4741 B10R0.75 CCCCCCC(C)C(=O)C 1458a_100000070787_100011215978 [0,2,0,0,0,0|2,0,0]=4 4742 B10R0.75 CCCCCCC(O)C(=O)C 1458a_100011215828_200000210301 [0,2,0,0,0,0|1,0,1]=4 4743 B10R0.75 CCCCCCC(O)C(=O)[13CH3] 1458a_100011215828_200025704644 [0,2,0,0,0,0|1,0,1]=4 4744 B10R0.75 CCCCCCN(C)C(=O)C 11a_106256046315_100015343762 [0,2,0,0,0,0|2,0,0]=4 4745 B10R0.75 CCCCCCN(C)C(=O)C 1626a_106256046315_100015343762 [0,2,0,0,0,0|2,0,0]=4 4746 B10R0.75 CCCCCCN(C)C(=O)C 240690a_106256046315_100015343762 [0,2,0,0,0,0|2,0,0]=4 4747 B10R0.75 CCCCCCN(C)C(=O)C 527a_106256046315_100103153847 [0,2,0,0,0,0|2,0,0]=4 4748 B10R0.75 CCCCCNC(=O)C(O)O 240690a_100000209983_100000233687 [0,2,0,0,0,0|2,0,0]=4 4749 B10R0.75 CCCCCNC(=O)[C@@H](C)O 240690a_100000209983_100000717761 [0,2,0,0,0,0|2,0,0]=4 4750 B10R0.75 CCCCCNC(=O)[C@H](C)O 1626a_100000209983_217856618621 [0,2,0,0,0,0|2,0,0]=4 4751 B10R0.75 CCCCCNC(=O)[C@H](C)O 240690a_100000209983_217856618621 [0,2,0,0,0,0|2,0,0]=4 4752 B10R0.75 CCCCCNC(C)C(=O)C 2230a_100000209983_100009814033 [0,2,0,0,0,0|2,0,0]=4 4753 B10R0.75 CCCCCNC(C)C(=O)N 2230a_100000209983_100000702099 [0,2,0,0,0,0|2,0,0]=4 4754 B10R0.75 CCCCCNC(F)C(=O)N 2230a_100000209983_100009813875 [0,2,0,0,0,0|2,0,0]=4 4755 B10R0.75 CCCCCN[C@@H](C)C(=O)O 269956a_100000743915_100000210326 [0,2,0,0,0,0|1,0,0]=3 4756 B10R0.75 CCCCCN[C@H](C)C(=O)N 2230a_100000119354_100000210326 [0,2,0,0,0,0|2,0,0]=4 4757 B10R0.75 CCCCCN[C@H](C)C(=O)N 34a_100000119354_100000718602 [0,2,0,0,0,0|2,0,0]=4 4758 B10R0.75 CCCCCOC(C)C(=O)C 34a_100000212229_100000718602 [0,2,0,0,0,0|2,0,0]=4 4759 B10R0.75 CCCCCOC(C)C(=O)C 7a_100000210253_100000179758 [0,2,0,0,0,0|2,0,0]=4 4760 B10R0.75 CCCCCOC(C)C(=O)N 34a_100000210253_100000702099 [0,2,0,0,0,0|2,0,0]=4 4761 B10R0.75 CCCCCOC(C)C(=O)N 7a_100000210253_100000702099 [0,2,0,0,0,0|2,0,0]=4 4762 B10R0.75 CCCCCOC(F)C(=O)N 34a_100000210253_100009813875 [0,2,0,0,0,0|2,0,0]=4 4763 B10R0.75 CCCCCOC(F)C(=O)N 7a_100000210253_100009813875 [0,2,0,0,0,0|2,0,0]=4 4764 B10R0.75 CCCCCOC(F)C(=O)[O-] 34a_100000210253_100020610796 [0,2,0,0,0,0|1,0,1]=4 4765 B10R0.75 CCCCCO[C@@H](C)C(=O)[O-] 7a_217856618621_100000210326 [0,2,0,0,0,0|1,0,1]=4 4766 B10R0.75 CCCCCO[C@H](C)C(=O)N 34a_100000731257_100000718602 [0,2,0,0,0,0|2,0,0]=4 4767 B10R0.75 CCCCCO[C@H](C)C(=O)N 7a_100000731257_100000210326 [0,2,0,0,0,0|2,0,0]=4 4768 B10R0.75 CCCCCSC(C)C(=O)C 62a_100000210326_100009814033 [0,2,0,0,0,0|2,0,0]=4 4769 B10R0.75 CCCCCSC(C)C(=O)C 62a_100009814033_100000210326 [0,2,0,0,0,0|2,0,0]=4 4770 B10R0.75 CCCCCSC(C)C(=O)N 62a_100000210326_100000702099 [0,2,0,0,0,0|2,0,0]=4 4771 B10R0.75 CCCCCSC(C)C(=O)N 62a_100000702099_100000210326 [0,2,0,0,0,0|2,0,0]=4 4772 B10R0.75 CCCCCSC(F)C(=O)N 62a_100000210326_100009813875 [0,2,0,0,0,0|2,0,0]=4 4773 B10R0.75 CCCCCSC(F)C(=O)N 62a_100009813875_100000210326 [0,2,0,0,0,0|2,0,0]=4 4774 B10R0.75 CCCCCSC(F)C(=O)[O-] 62a_100000210326_100020610796 [0,2,0,0,0,0|1,0,1]=4 4775 B10R0.75 CCCCCSC(F)C(=O)[O-] 62a_100020610796_100000210326 [0,2,0,0,0,0|1,0,1]=4 4776 B10R0.75 CCCCNCC(C)C(=O)O 269956a_100000749485_100000210211 [0,2,0,0,0,0|1,0,0]=3 4777 B10R0.75 CCCCNCC(F)C(=O)O 269956a_100000084737_100000210211 [0,2,0,0,0,0|1,0,0]=3 4778 B10R0.75 CCCCOCC(=O)C(O)O 1458a_100000233687_100011995733 [0,2,0,0,0,0|2,0,0]=4 4779 B10R0.75 CCCCOCC(=O)[C@@H](C)O 1458a_100000717761_100011995733 [0,2,0,0,0,0|2,0,0]=4 4780 B10R0.75 CCCCOCC(=O)[C@H](C)O 1458a_217856618621_100011995733 [0,2,0,0,0,0|2,0,0]=4 4781 B10R0.75 CCCCOCC(C)C(=O)C 34a_100000032740_100000210210 [0,2,0,0,0,0|2,0,0]=4 4782 B10R0.75 CCCCOCC(C)C(=O)C 7a_100000032740_100000210211 [0,2,0,0,0,0|2,0,0]=4 4783 B10R0.75 CCCCOC[C@H](N)C(=O)N 34a_100000729942_100000210210 [0,2,0,0,0,0|2,0,0]=4 4784 B10R0.75 CCCOCCC(=O)C(O)O 1458a_100000233687_100011215938 [0,2,0,0,0,0|2,0,0]=4 4785 B10R0.75 CCCOCCC(=O)[C@@H](C)O 1458a_100000717761_100011215938 [0,2,0,0,0,0|2,0,0]=4 4786 B10R0.75 CCCOCCC(=O)[C@H](C)O 1458a_217856618621_100011215938 [0,2,0,0,0,0|2,0,0]=4 4787 B10R0.75 CCOCCCC(=O)C(O)O 1458a_100000233687_100012232248 [0,2,0,0,0,0|2,0,0]=4 4788 B10R0.75 CCOCCCC(=O)[C@@H](C)O 1458a_100000717761_100012232248 [0,2,0,0,0,0|2,0,0]=4 4789 B10R0.75 CCOCCCC(=O)[C@H](C)O 1458a_217856618621_100012232248 [0,2,0,0,0,0|2,0,0]=4 4790 B10R0.75 CCOCCN[C@@H](C)C(=O)O 269956a_100000743915_100000210147 [0,2,0,0,0,0|2,0,0]=4 4791 B10R0.75 CCOCNCC(C)C(=O)O 269956a_100000749485_100000739092 [0,2,0,0,0,0|2,0,0]=4 4792 B10R0.75 CCOCNCC(F)C(=O)O 269956a_100000084737_100000739092 [0,2,0,0,0,0|2,0,0]=4 4793 B10R0.75 CCSCCN[C@@H](C)C(=O)O 269956a_100000743915_100000757381 [0,2,0,0,0,0|2,0,0]=4 4794 B10R0.75 CN(C)C(=O)CCCCCO 240690a_100102631434_100102619762 [0,2,0,0,0,0|2,0,0]=4 4795 B10R0.75 CN(C)C(=O)COCCCN 34a_100000182051_100000692301 [0,2,0,0,0,0|2,0,0]=4 4796 B10R0.75 CNCCCOC(C)C(=O)N 34a_100000213112_100000702099 [0,2,0,0,0,0|2,0,0]=4 4797 B10R0.75 CNCCCOC(F)C(=O)N 34a_100000213112_100009813875 [0,2,0,0,0,0|2,0,0]=4 4798 B10R0.75 CNCCCOC(F)C(=O)[O-] 34a_100000213112_100020610796 [0,2,0,0,0,0|1,0,1]=4 4799 B10R0.75 COCCCCC(=O)C(O)O 1458a_100000233687_100000755781 [0,2,0,0,0,0|2,0,0]=4 4800 B10R0.75 COCCCCC(=O)[C@@H](C)O 1458a_100000717761_100000755781 [0,2,0,0,0,0|2,0,0]=4 4801 B10R0.75 COCCCCC(=O)[C@H](C)O 1458a_217856618621_100000755781 [0,2,0,0,0,0|2,0,0]=4 4802 B10R0.75 COCCCN[C@@H](C)C(=O)O 269956a_100000743915_100000740836 [0,2,0,0,0,0|2,0,0]=4 4803 B10R0.75 COCCNCC(C)C(=O)O 269956a_100000749485_100000233755 [0,2,0,0,0,0|2,0,0]=4 4804 B10R0.75 COCCNCC(F)C(=O)O 269956a_100000084737_100000233755 [0,2,0,0,0,0|2,0,0]=4 4805 B10R0.75 CSCCNCC(C)C(=O)O 269956a_100000749485_100000212216 [0,2,0,0,0,0|2,0,0]=4 4806 B10R0.75 CSCCNCC(F)C(=O)O 269956a_100000084737_100000212216 [0,2,0,0,0,0|2,0,0]=4 4807 B10R0.75 C[C@@H](NCCCCF)C(=O)N 2230a_100000119354_100000729493 [0,2,0,0,0,0|2,0,0]=4 4808 B10R0.75 C[C@@H](NCCCCF)C(=O)N 34a_100000119354_100000729493 [0,2,0,0,0,0|2,0,0]=4 4809 B10R0.75 C[C@@H](NCCCCO)C(=O)N 2230a_100000119354_100000210776 [0,2,0,0,0,0|2,0,0]=4 4810 B10R0.75 C[C@@H](NCCCCO)C(=O)N 34a_100000119354_100011216708 [0,2,0,0,0,0|2,0,0]=4 4811 B10R0.75 C[C@@H](O)C(=O)CCCCC#N 1458a_100000717761_100000211819 [0,2,0,0,0,0|0,0,2]=4 4812 B10R0.75 C[C@@H](O)C(=O)CCCCCF 1458a_100000717761_100000729378 [0,2,0,0,0,0|1,0,0]=3 4813 B10R0.75 C[C@@H](O)C(=O)CCCCCO 1458a_100000717761_100000746330 [0,2,0,0,0,0|1,0,0]=3 4814 B10R0.75 C[C@@H](O)C(=O)CCOCCO 1458a_100000717761_100011215305 [0,2,0,0,0,0|2,0,0]=4 4815 B10R0.75 C[C@@H](O)C(=O)NCCCCO 240690a_100000750430_100000717761 [0,2,0,0,0,0|2,0,0]=4 4816 B10R0.75 C[C@@H](OCCCCF)C(=O)N 34a_100000731257_100000729493 [0,2,0,0,0,0|2,0,0]=4 4817 B10R0.75 C[C@@H](OCCCCF)C(=O)N 7a_100000731257_100000729493 [0,2,0,0,0,0|2,0,0]=4 4818 B10R0.75 C[C@@H](OCCCCO)C(=O)N 34a_100000731257_100011216708 [0,2,0,0,0,0|2,0,0]=4 4819 B10R0.75 C[C@@H](OCCCCO)C(=O)N 7a_100000731257_100000210776 [0,2,0,0,0,0|2,0,0]=4 4820 B10R0.75 C[C@H](NCCCC#N)C(=O)O 269956a_100000743915_100000687738 [0,2,0,0,0,0|0,0,2]=4 4821 B10R0.75 C[C@H](NCCCC=O)C(=O)O 269956a_100000743915_200011292268 [0,2,0,0,0,0|1,0,1]=4 4822 B10R0.75 C[C@H](NCCCCF)C(=O)O 269956a_100000743915_100000729493 [0,2,0,0,0,0|1,0,0]=3 4823 B10R0.75 C[C@H](NCCCCO)C(=O)O 269956a_100000743915_100000210776 [0,2,0,0,0,0|1,0,0]=3 4824 B10R0.75 C[C@H](O)C(=O)CCCCC#N 1458a_217856618621_100000211819 [0,2,0,0,0,0|0,0,2]=4 4825 B10R0.75 C[C@H](O)C(=O)CCCCCF 1458a_217856618621_100000729378 [0,2,0,0,0,0|1,0,0]=3 4826 B10R0.75 C[C@H](O)C(=O)CCCCCO 1458a_217856618621_100000746330 [0,2,0,0,0,0|1,0,0]=3 4827 B10R0.75 C[C@H](O)C(=O)CCOCCO 1458a_217856618621_100011215305 [0,2,0,0,0,0|2,0,0]=4 4828 B10R0.75 C[C@H](O)C(=O)NCCCCO 240690a_100000750430_217856618621 [0,2,0,0,0,0|2,0,0]=4 4829 B10R0.75 C[C@H](OCCCCF)C(=O)[O-] 7a_217856618621_100000729493 [0,2,0,0,0,0|1,0,1]=4 4830 B10R0.75 C[C@H](OCCCCO)C(=O)[O-] 7a_217856618621_100000210776 [0,2,0,0,0,0|1,0,1]=4 4831 B10R0.75 N#CCCCCC(=O)C(O)O 1458a_100000233687_100000211819 [0,2,0,0,0,0|0,0,2]=4 4832 B10R0.75 N#CCCNCC(F)C(=O)O 269956a_100000084737_100011215226 [0,2,0,0,0,0|0,0,2]=4 4833 B10R0.75 NC(=O)C(F)NCCCCO 2230a_100000750430_100009813875 [0,2,0,0,0,0|2,0,0]=4 4834 B10R0.75 NC(=O)C(F)NCCCCO 34a_100000750430_100009813875 [0,2,0,0,0,0|2,0,0]=4 4835 B10R0.75 NC(=O)C(F)OCCCCBr 34a_100011216708_100009813875 [0,2,0,0,0,0|2,0,0]=4 4836 B10R0.75 NC(=O)C(F)OCCCCCl 34a_100000210776_100009813875 [0,2,0,0,0,0|2,0,0]=4 4837 B10R0.75 NC(=O)C(F)OCCCCCl 7a_100000210776_100009813875 [0,2,0,0,0,0|2,0,0]=4 4838 B10R0.75 NC(=O)C(F)OCCCCF 34a_100011995726_100009813875 [0,2,0,0,0,0|2,0,0]=4 4839 B10R0.75 NC(=O)C(F)OCCCCF 7a_100011995726_100009813875 [0,2,0,0,0,0|2,0,0]=4 4840 B10R0.75 NC(=O)C(F)OCCCCI 34a_200012148704_100009813875 [0,2,0,0,0,0|2,0,0]=4 4841 B10R0.75 NC(=O)C(F)SCCCCF 62a_100000729493_100009813875 [0,2,0,0,0,0|2,0,0]=4 4842 B10R0.75 NC(=O)C(F)SCCCCF 62a_100009813875_100000729493 [0,2,0,0,0,0|2,0,0]=4 4843 B10R0.75 NC(=O)C(F)SCCCCO 62a_100000210776_100009813875 [0,2,0,0,0,0|2,0,0]=4 4844 B10R0.75 NC(=O)C(F)SCCCCO 62a_100009813875_100000210776 [0,2,0,0,0,0|2,0,0]=4 4845 B10R0.75 NC(=O)[C@@H](N)COCCCF 34a_100000729942_100011934791 [0,2,0,0,0,0|2,0,0]=4 4846 B10R0.75 NC(=O)[C@@H](N)COCCCO 34a_100000729942_100000230001 [0,2,0,0,0,0|2,0,0]=4 4847 B10R0.75 NCCCCOC(F)C(=O)N 34a_100000750430_100009813875 [0,2,0,0,0,0|1,0,0]=3 4848 B10R0.75 NCCCCOC(F)C(=O)[O-] 34a_100000750430_100020610796 [0,2,0,0,0,0|0,0,1]=3 4849 B10R0.75 O=C(CCCCCF)C(O)O 1458a_100000233687_100000729378 [0,2,0,0,0,0|1,0,0]=3 4850 B10R0.75 O=C(CCCCCO)C(O)O 1458a_100000233687_100000746330 [0,2,0,0,0,0|1,0,0]=3 4851 B10R0.75 O=C(CCOCCO)C(O)O 1458a_100000233687_100011215305 [0,2,0,0,0,0|2,0,0]=4 4852 B10R0.75 O=C(NCCCCO)C(O)O 240690a_100000750430_100000233687 [0,2,0,0,0,0|2,0,0]=4 4853 B10R0.75 O=C(O)C(F)CNCCCF 269956a_100000084737_100011934791 [0,2,0,0,0,0|1,0,0]=3 4854 B10R0.75 O=C(O)C(F)CNCCCO 269956a_100000084737_100011215043 [0,2,0,0,0,0|1,0,0]=3 4855 B10R0.75 O=C([O-])C(F)NCCCCO 34a_100000750430_100020610796 [0,2,0,0,0,0|1,0,1]=4 4856 B10R0.75 O=C([O-])C(F)OCCCCBr 34a_100011216708_100020610796 [0,2,0,0,0,0|1,0,1]=4 4857 B10R0.75 O=C([O-])C(F)OCCCCCl 34a_100000210776_100020610796 [0,2,0,0,0,0|1,0,1]=4 4858 B10R0.75 O=C([O-])C(F)OCCCCF 34a_100011995726_100020610796 [0,2,0,0,0,0|1,0,1]=4 4859 B10R0.75 O=C([O-])C(F)OCCCCI 34a_200012148704_100020610796 [0,2,0,0,0,0|1,0,1]=4 4860 B10R0.75 O=C([O-])C(F)SCCCCF 62a_100000729493_100020610796 [0,2,0,0,0,0|1,0,1]=4 4861 B10R0.75 O=C([O-])C(F)SCCCCF 62a_100020610796_100000729493 [0,2,0,0,0,0|1,0,1]=4 4862 B10R0.75 O=C([O-])C(F)SCCCCO 62a_100000210776_100020610796 [0,2,0,0,0,0|1,0,1]=4 4863 B10R0.75 O=C([O-])C(F)SCCCCO 62a_100020610796_100000210776 [0,2,0,0,0,0|1,0,1]=4 4864 B10R0.78 CC(=O)CCN(C)CCCO 269982a_100000213112_100000053229 [0,2,0,0,0,0|2,0,0]=4 4865 B10R0.78 CC(=O)NC[C@H](C)CCCO 240690a_100160569302_100015343762 [0,2,0,0,0,0|2,0,0]=4 4866 B10R0.78 CC(=O)NC[C@H](C)CCCO 527a_100160569302_100103153847 [0,2,0,0,0,0|2,0,0]=4 4867 B10R0.78 CC(CCCCl)OCC(=O)N 34a_200000718107_100000187820 [0,2,0,0,0,0|2,0,0]=4 4868 B10R0.78 CC(CCCCl)OCC(=O)N 7a_200000718107_100000187820 [0,2,0,0,0,0|2,0,0]=4 4869 B10R0.78 CC(CCCCl)OCC(=O)[O-] 34a_200000718107_100020667443 [0,2,0,0,0,0|1,0,1]=4 4870 B10R0.78 CCCCC(=O)CCC(=O)N 1458a_100011215257_100000210211 [0,2,0,0,0,0|2,0,0]=4 4871 B10R0.78 CCCCC(C)CCC(=O)C 1458a_100000033779_200000210301 [0,2,0,0,0,0|2,0,0]=4 4872 B10R0.78 CCCCC(C)CCC(=O)[13CH3] 1458a_100000033779_200025704644 [0,2,0,0,0,0|2,0,0]=4 4873 B10R0.78 CCCCC(C)NCC(=O)N 2230a_100000126638_100000747473 [0,2,0,0,0,0|2,0,0]=4 4874 B10R0.78 CCCCC(C)NCC(=O)N 2230a_100000711301_200011215066 [0,2,0,0,0,0|2,0,0]=4 4875 B10R0.78 CCCCC(C)NCC(=O)O 269956a_100016091260_200011215066 [0,2,0,0,0,0|1,0,0]=3 4876 B10R0.78 CCCCC(C)OCC(=O)C 34a_100000211253_200011215066 [0,2,0,0,0,0|2,0,0]=4 4877 B10R0.78 CCCCC(C)OCC(=O)N 34a_100000687866_100000187820 [0,2,0,0,0,0|2,0,0]=4 4878 B10R0.78 CCCCC(C)OCC(=O)N 7a_100000687866_100000187820 [0,2,0,0,0,0|2,0,0]=4 4879 B10R0.78 CCCCC(C)OCC(=O)[O-] 34a_100000687866_100020667443 [0,2,0,0,0,0|1,0,1]=4 4880 B10R0.78 CCCCC(C)SCC(=O)N 62a_100000747473_200011215066 [0,2,0,0,0,0|2,0,0]=4 4881 B10R0.78 CCCCC(C)SCC(=O)N 62a_200011215066_100000747473 [0,2,0,0,0,0|2,0,0]=4 4882 B10R0.78 CCCCC(C)SCC(=O)[O-] 62a_100020667443_200011215066 [0,2,0,0,0,0|1,0,1]=4 4883 B10R0.78 CCCCC(C)SCC(=O)[O-] 62a_200011215066_100020667443 [0,2,0,0,0,0|1,0,1]=4 4884 B10R0.78 CCCCN(C)CCC(=O)C 269982a_100000207549_100000053229 [0,2,0,0,0,0|2,0,0]=4 4885 B10R0.78 CCCCN(C)CCC(=O)N 2230a_100000207549_100000744528 [0,2,0,0,0,0|2,0,0]=4 4886 B10R0.78 CCCCN(C)CCC(=O)N 2230a_100000730477_100000210211 [0,2,0,0,0,0|2,0,0]=4 4887 B10R0.78 CCCCN(C)CCC(=O)N 269982a_100000207549_100000744528 [0,2,0,0,0,0|2,0,0]=4 4888 B10R0.78 CN(CCCF)CCC(=O)N 2230a_100000730477_100011934791 [0,2,0,0,0,0|2,0,0]=4 4889 B10R0.78 CN(CCCO)CCC(=O)N 2230a_100000213112_100000744528 [0,2,0,0,0,0|2,0,0]=4 4890 B10R0.78 CN(CCCO)CCC(=O)N 2230a_100000730477_100000230001 [0,2,0,0,0,0|2,0,0]=4 4891 B10R0.78 CN(CCCO)CCC(=O)N 269982a_100000213112_100000744528 [0,2,0,0,0,0|2,0,0]=4 4892 B10R0.78 CNCCC(=O)NCC(=O)O 269956a_100000722369_200000210301 [0,2,0,0,0,0|1,0,1]=4 4893 B10R0.78 NC(=O)CCC(=O)CCCF 1458a_100011215257_100011934791 [0,2,0,0,0,0|2,0,0]=4 4894 B10R0.78 NC(=O)CCC(=O)CCCO 1458a_100011215257_100011215043 [0,2,0,0,0,0|2,0,0]=4 4895 B10R0.78 [13CH3]NCCC(=O)NCC(=O)O 269956a_100000722369_200025704644 [0,2,0,0,0,0|1,0,1]=4 4896 B10R0.97 C=C(C)CCOCC[C@@H](C)N 34a_100000706166_100000730704 [0,2,0,0,0,0|2,0,0]=4 4897 B10R0.97 CC(=O)CCCCCB(O)O 1458a_100000070787_200009817188 [0,2,0,0,0,0|2,0,0]=4 4898 B10R0.97 CC(=O)CCCCCC(=O)N 1458a_100000070787_100009817443 [0,2,0,0,0,0|1,0,0]=3 4899 B10R0.97 CC(=O)CCCCCC(C)C 1458a_100000070787_100000210682 [0,2,0,0,0,0|2,0,0]=4 4900 B10R0.97 CC(=O)CCCCCC(C)C 1458a_100000766313_200000210301 [0,2,0,0,0,0|2,0,0]=4 4901 B10R0.97 CC(=O)CCCCC[N+](=O)[O-] 1458a_100000043470_200000210301 [0,2,0,0,0,0|1,0,1]=4 4902 B10R0.97 CC(=O)CCCCNC(C)C 34a_100138425928_100009817362 [0,2,0,0,0,0|2,0,0]=4 4903 B10R0.97 CC(=O)CCCCOC(C)C 34a_100000212225_100009817362 [0,2,0,0,0,0|2,0,0]=4 4904 B10R0.97 CC(=O)CCCCSC(C)C 62a_100000210206_100000735457 [0,2,0,0,0,0|2,0,0]=4 4905 B10R0.97 CC(=O)CCCCSC(C)C 62a_100000735457_100000210206 [0,2,0,0,0,0|2,0,0]=4 4906 B10R0.97 CC(=O)CCCNCC(=O)O 269956a_100016091260_100011215641 [0,2,0,0,0,0|1,0,1]=4 4907 B10R0.97 CC(=O)CCCNCC(C)C 34a_100000210953_100000685027 [0,2,0,0,0,0|2,0,0]=4 4908 B10R0.97 CC(=O)CCCNCC(C)O 34a_100000210904_100000685027 [0,2,0,0,0,0|2,0,0]=4 4909 B10R0.97 CC(=O)CCCNCC(F)F 34a_100000765723_100000685027 [0,2,0,0,0,0|2,0,0]=4 4910 B10R0.97 CC(=O)CCCOCC(=O)N 34a_100000759063_100000187820 [0,2,0,0,0,0|1,0,1]=4 4911 B10R0.97 CC(=O)CCCOCC(=O)N 7a_100000759063_100000187820 [0,2,0,0,0,0|1,0,1]=4 4912 B10R0.97 CC(=O)CCCOCC(C)Br 34a_100012180447_100000685027 [0,2,0,0,0,0|2,0,0]=4 4913 B10R0.97 CC(=O)CCCOCC(C)C 34a_100000210257_100000685027 [0,2,0,0,0,0|2,0,0]=4 4914 B10R0.97 CC(=O)CCCOCC(C)C 34a_100000759063_100000210624 [0,2,0,0,0,0|2,0,0]=4 4915 B10R0.97 CC(=O)CCCOCC(C)C 7a_100000759063_100000210760 [0,2,0,0,0,0|2,0,0]=4 4916 B10R0.97 CC(=O)CCCOCC(C)F 34a_100015925927_100000685027 [0,2,0,0,0,0|2,0,0]=4 4917 B10R0.97 CC(=O)CCCOCC(C)O 34a_100000759063_100011218427 [0,2,0,0,0,0|2,0,0]=4 4918 B10R0.97 CC(=O)CCCOCC(C)O 7a_100000759063_100011218427 [0,2,0,0,0,0|2,0,0]=4 4919 B10R0.97 CC(=O)CCCOCC(F)F 34a_100000743014_100000685027 [0,2,0,0,0,0|2,0,0]=4 4920 B10R0.97 CC(=O)CCCOCC(F)F 34a_100000759063_100011934356 [0,2,0,0,0,0|2,0,0]=4 4921 B10R0.97 CC(=O)CCCOCC(F)F 7a_100000759063_100011934356 [0,2,0,0,0,0|2,0,0]=4 4922 B10R0.97 CC(=O)CCCOC[C@@H](C)Cl 34a_100016084084_100000685027 [0,2,0,0,0,0|2,0,0]=4 4923 B10R0.97 CC(=O)CCCOC[C@@H](C)N 34a_100000737577_100000685027 [0,2,0,0,0,0|1,0,0]=3 4924 B10R0.97 CC(=O)CCCOC[C@@H](C)O 34a_100000759063_100009817552 [0,2,0,0,0,0|2,0,0]=4 4925 B10R0.97 CC(=O)CCCOC[C@@H](C)O 7a_100000759063_100009817552 [0,2,0,0,0,0|2,0,0]=4 4926 B10R0.97 CC(=O)CCCSCC(=O)N 62a_100000747473_100011215641 [0,2,0,0,0,0|1,0,1]=4 4927 B10R0.97 CC(=O)CCCSCC(=O)N 62a_100011215641_100000747473 [0,2,0,0,0,0|1,0,1]=4 4928 B10R0.97 CC(=O)CCCSCC(C)C 62a_100000210624_100011215641 [0,2,0,0,0,0|2,0,0]=4 4929 B10R0.97 CC(=O)CCCSCC(C)C 62a_100011215641_100000210760 [0,2,0,0,0,0|2,0,0]=4 4930 B10R0.97 CC(=O)CCCSCC(C)O 62a_100011215641_100011218427 [0,2,0,0,0,0|2,0,0]=4 4931 B10R0.97 CC(=O)CCCSCC(C)O 62a_100011218427_100011215641 [0,2,0,0,0,0|2,0,0]=4 4932 B10R0.97 CC(=O)CCCSCC(F)F 62a_100011215641_100011934356 [0,2,0,0,0,0|2,0,0]=4 4933 B10R0.97 CC(=O)CCCSCC(F)F 62a_100011934356_100011215641 [0,2,0,0,0,0|2,0,0]=4 4934 B10R0.97 CC(=O)CCCSC[C@@H](C)O 62a_100009817552_100011215641 [0,2,0,0,0,0|2,0,0]=4 4935 B10R0.97 CC(=O)CCCSC[C@@H](C)O 62a_100011215641_100009817552 [0,2,0,0,0,0|2,0,0]=4 4936 B10R0.97 CC(=O)CCOCCC(=O)N 34a_100000759926_100000731001 [0,2,0,0,0,0|1,0,1]=4 4937 B10R0.97 CC(=O)CCOCCC(=O)N 7a_100000757172_100000053229 [0,2,0,0,0,0|1,0,1]=4 4938 B10R0.97 CC(=O)CCOCCC(=O)N 7a_100000759926_100000744528 [0,2,0,0,0,0|1,0,1]=4 4939 B10R0.97 CC(=O)CCOCCC(C)C 34a_100000759926_100000210312 [0,2,0,0,0,0|2,0,0]=4 4940 B10R0.97 CC(=O)CCOCCC(C)C 7a_100000210254_100000053229 [0,2,0,0,0,0|2,0,0]=4 4941 B10R0.97 CC(=O)CCOCCC(C)C 7a_100000759926_100000210626 [0,2,0,0,0,0|2,0,0]=4 4942 B10R0.97 CC(=O)CCOCCC(C)O 34a_100000759926_100012276601 [0,2,0,0,0,0|2,0,0]=4 4943 B10R0.97 CC(=O)CCOCCC(C)O 7a_100000759926_100012276601 [0,2,0,0,0,0|2,0,0]=4 4944 B10R0.97 CC(=O)CCOCCN(C)C 7a_100000759926_100000755713 [0,2,0,0,0,0|2,0,0]=4 4945 B10R0.97 CC(=O)CCSCCC(=O)N 62a_100000053229_100000744528 [0,2,0,0,0,0|1,0,1]=4 4946 B10R0.97 CC(=O)CCSCCC(=O)N 62a_100000744528_100000053229 [0,2,0,0,0,0|1,0,1]=4 4947 B10R0.97 CC(=O)CCSCCC(C)C 62a_100000053229_100000210312 [0,2,0,0,0,0|2,0,0]=4 4948 B10R0.97 CC(=O)CCSCCC(C)C 62a_100000210312_100000053229 [0,2,0,0,0,0|2,0,0]=4 4949 B10R0.97 CC(=O)CCSCCC(C)O 62a_100000053229_100012276601 [0,2,0,0,0,0|2,0,0]=4 4950 B10R0.97 CC(=O)CCSCCC(C)O 62a_100012276601_100000053229 [0,2,0,0,0,0|2,0,0]=4 4951 B10R0.97 CC(=O)CCSCCN(C)C 62a_100000053229_100000755713 [0,2,0,0,0,0|2,0,0]=4 4952 B10R0.97 CC(=O)COCCCC(=O)N 34a_100000211253_100102525003 [0,2,0,0,0,0|1,0,1]=4 4953 B10R0.97 CC(=O)COCCCC(C)C 34a_100000211253_100011214892 [0,2,0,0,0,0|2,0,0]=4 4954 B10R0.97 CC(=O)COCCCC(C)O 34a_100000211253_200000718107 [0,2,0,0,0,0|2,0,0]=4 4955 B10R0.97 CC(=O)NCCCCC(=O)N 11a_100000696515_100015343762 [0,2,0,0,0,0|1,0,1]=4 4956 B10R0.97 CC(=O)NCCCCC(=O)N 1626a_100000696515_100015343762 [0,2,0,0,0,0|1,0,1]=4 4957 B10R0.97 CC(=O)NCCCCC(=O)N 240690a_100000696515_100015343762 [0,2,0,0,0,0|1,0,1]=4 4958 B10R0.97 CC(=O)NCCCCC(=O)N 527a_100000696515_100103153847 [0,2,0,0,0,0|1,0,1]=4 4959 B10R0.97 CC(=O)NCCCCN(C)C 240690a_100025707445_100015343762 [0,2,0,0,0,0|2,0,0]=4 4960 B10R0.97 CC(=O)OCCCCN(C)C 269982a_100102631434_100000033659 [0,2,0,0,0,0|2,0,0]=4 4961 B10R0.97 CC(=O)OCCOC[C@@H](C)N 34a_100000737577_100009814007 [0,2,0,0,0,0|2,0,0]=4 4962 B10R0.97 CC(=O)OCOCC[C@@H](C)N 34a_100000706166_100009813279 [0,2,0,0,0,0|2,0,0]=4 4963 B10R0.97 CC(=O)SCCCCN(C)C 2230a_100102631434_200010402107 [0,2,0,0,0,0|2,0,0]=4 4964 B10R0.97 CC(=O)SCCCCN(C)C 269982a_100102631434_200010402107 [0,2,0,0,0,0|2,0,0]=4 4965 B10R0.97 CC(Br)CCOCCC(=O)N 34a_100009893172_100000731001 [0,2,0,0,0,0|2,0,0]=4 4966 B10R0.97 CC(Br)COCCCC(=O)N 34a_100012180447_100102525003 [0,2,0,0,0,0|2,0,0]=4 4967 B10R0.97 CC(C)CCCCCC(=O)[13CH3] 1458a_100000766313_200025704644 [0,2,0,0,0,0|2,0,0]=4 4968 B10R0.97 CC(C)CCCNCC(=O)N 2230a_100000711301_100011214892 [0,2,0,0,0,0|2,0,0]=4 4969 B10R0.97 CC(C)CCCNCC(=O)N 2230a_200000737386_100000747473 [0,2,0,0,0,0|2,0,0]=4 4970 B10R0.97 CC(C)CCCNCC(=O)N 34a_200000737386_100000187820 [0,2,0,0,0,0|2,0,0]=4 4971 B10R0.97 CC(C)CCCNCC(=O)O 269956a_100016091260_100011214892 [0,2,0,0,0,0|1,0,0]=3 4972 B10R0.97 CC(C)CCCNCC(=O)[O-] 34a_200000737386_100020667443 [0,2,0,0,0,0|1,0,1]=4 4973 B10R0.97 CC(C)CCCOCC(=O)N 34a_100000210774_100000187820 [0,2,0,0,0,0|2,0,0]=4 4974 B10R0.97 CC(C)CCCOCC(=O)N 7a_100000210774_100000187820 [0,2,0,0,0,0|2,0,0]=4 4975 B10R0.97 CC(C)CCCOCC(=O)[O-] 34a_100000210774_100020667443 [0,2,0,0,0,0|1,0,1]=4 4976 B10R0.97 CC(C)CCCSCC(=O)N 62a_100000747473_100011214892 [0,2,0,0,0,0|2,0,0]=4 4977 B10R0.97 CC(C)CCCSCC(=O)N 62a_100011214892_100000747473 [0,2,0,0,0,0|2,0,0]=4 4978 B10R0.97 CC(C)CCCSCC(=O)[O-] 62a_100011214892_100020667443 [0,2,0,0,0,0|1,0,1]=4 4979 B10R0.97 CC(C)CCCSCC(=O)[O-] 62a_100020667443_100011214892 [0,2,0,0,0,0|1,0,1]=4 4980 B10R0.97 CC(C)CCNCCC(=O)N 269862a_100000740010_100000185833 [0,2,0,0,0,0|2,0,0]=4 4981 B10R0.97 CC(C)CCNOCC(=O)O 269956a_100000106656_100000210312 [0,2,0,0,0,0|2,0,0]=4 4982 B10R0.97 CC(C)CCOCCC(=O)N 34a_100000210254_100000731001 [0,2,0,0,0,0|2,0,0]=4 4983 B10R0.97 CC(C)CCOCCC(=O)N 34a_100000757172_100000210312 [0,2,0,0,0,0|2,0,0]=4 4984 B10R0.97 CC(C)CCOCCC(=O)N 7a_100000210254_100000744528 [0,2,0,0,0,0|2,0,0]=4 4985 B10R0.97 CC(C)CCOCCC(=O)N 7a_100000757172_100000210626 [0,2,0,0,0,0|2,0,0]=4 4986 B10R0.97 CC(C)CCSCCC(=O)N 62a_100000210312_100000744528 [0,2,0,0,0,0|2,0,0]=4 4987 B10R0.97 CC(C)CCSCCC(=O)N 62a_100000744528_100000210312 [0,2,0,0,0,0|2,0,0]=4 4988 B10R0.97 CC(C)CNCCCC(=O)N 34a_100000210953_100102525003 [0,2,0,0,0,0|2,0,0]=4 4989 B10R0.97 CC(C)CNCCCC(=O)N 34a_100000739312_100000210624 [0,2,0,0,0,0|2,0,0]=4 4990 B10R0.97 CC(C)COCCCC(=O)N 34a_100000210257_100102525003 [0,2,0,0,0,0|2,0,0]=4 4991 B10R0.97 CC(C)CSCCCC(=O)N 62a_100000210624_100102525003 [0,2,0,0,0,0|2,0,0]=4 4992 B10R0.97 CC(C)CSCCCC(=O)N 62a_100102525003_100000210760 [0,2,0,0,0,0|2,0,0]=4 4993 B10R0.97 CC(C)NCCCCC(=O)N 34a_100000696515_100000210206 [0,2,0,0,0,0|2,0,0]=4 4994 B10R0.97 CC(C)NCCOCC(=O)O 269956a_100000700818_100000210206 [0,2,0,0,0,0|2,0,0]=4 4995 B10R0.97 CC(C)OCCCCC(=O)N 34a_100012022536_100000210206 [0,2,0,0,0,0|2,0,0]=4 4996 B10R0.97 CC(C)OCCCCC(=O)N 7a_100012022536_100000210206 [0,2,0,0,0,0|2,0,0]=4 4997 B10R0.97 CC(C)OCCNCC(=O)O 269956a_100016091260_100000211751 [0,2,0,0,0,0|2,0,0]=4 4998 B10R0.97 CC(C)SCCNCC(=O)O 269956a_100016091260_100000730970 [0,2,0,0,0,0|2,0,0]=4 4999 B10R0.97 CC(F)COCCCC(=O)N 34a_100015925927_100102525003 [0,2,0,0,0,0|2,0,0]=4 5000 B10R0.97 CC(O)CCCNCC(=O)N 2230a_100000711301_200000718107 [0,2,0,0,0,0|2,0,0]=4 5001 B10R0.97 CC(O)CCCNCC(=O)O 269956a_100016091260_200000718107 [0,2,0,0,0,0|1,0,0]=3 5002 B10R0.97 CC(O)CCCOC[C@@H](C)N 34a_100000737577_200000718107 [0,2,0,0,0,0|1,0,1]=4 5003 B10R0.97 CC(O)CCCSCC(=O)N 62a_100000747473_200000718107 [0,2,0,0,0,0|2,0,0]=4 5004 B10R0.97 CC(O)CCCSCC(=O)N 62a_200000718107_100000747473 [0,2,0,0,0,0|2,0,0]=4 5005 B10R0.97 CC(O)CCCSCC(=O)[O-] 62a_100020667443_200000718107 [0,2,0,0,0,0|1,0,1]=4 5006 B10R0.97 CC(O)CCCSCC(=O)[O-] 62a_200000718107_100020667443 [0,2,0,0,0,0|1,0,1]=4 5007 B10R0.97 CC(O)CCNCCC(=O)N 2230a_200000755665_100000744528 [0,2,0,0,0,0|2,0,0]=4 5008 B10R0.97 CC(O)CCNOCC(=O)O 269956a_100000106656_100012276601 [0,2,0,0,0,0|2,0,0]=4 5009 B10R0.97 CC(O)CCOCCC(=O)N 34a_100000757172_100012276601 [0,2,0,0,0,0|2,0,0]=4 5010 B10R0.97 CC(O)CCOCCC(=O)N 7a_100000757172_100012276601 [0,2,0,0,0,0|2,0,0]=4 5011 B10R0.97 CC(O)CCOCC[C@@H](C)N 34a_100000706166_100012276601 [0,2,0,0,0,0|1,0,1]=4 5012 B10R0.97 CC(O)CCSCCC(=O)N 62a_100000744528_100012276601 [0,2,0,0,0,0|2,0,0]=4 5013 B10R0.97 CC(O)CCSCCC(=O)N 62a_100012276601_100000744528 [0,2,0,0,0,0|2,0,0]=4 5014 B10R0.97 CC(O)CNCCCC(=O)N 34a_100000210904_100102525003 [0,2,0,0,0,0|2,0,0]=4 5015 B10R0.97 CC(O)CNCCCC(=O)N 34a_100000739312_100011218427 [0,2,0,0,0,0|2,0,0]=4 5016 B10R0.97 CC(O)CSCCCC(=O)N 62a_100011218427_100102525003 [0,2,0,0,0,0|2,0,0]=4 5017 B10R0.97 CC(O)CSCCCC(=O)N 62a_100102525003_100011218427 [0,2,0,0,0,0|2,0,0]=4 5018 B10R0.97 CN(C)CCCCCB(O)O 2230a_100102631434_200009817188 [0,2,0,0,0,0|1,0,1]=4 5019 B10R0.97 CN(C)CCCCCB(O)O 269982a_100102631434_200009817188 [0,2,0,0,0,0|1,0,1]=4 5020 B10R0.97 CN(C)CCCCCC(=O)N 2230a_100102631434_100009817443 [0,2,0,0,0,0|1,0,0]=3 5021 B10R0.97 CN(C)CCCCCC(=O)N 269982a_100102631434_100009817443 [0,2,0,0,0,0|1,0,0]=3 5022 B10R0.97 CN(C)CCCNCC(=O)O 269956a_100016091260_100000757444 [0,2,0,0,0,0|1,0,0]=3 5023 B10R0.97 CN(C)CCCSCC(=O)N 62a_100000747473_100000757444 [0,2,0,0,0,0|2,0,0]=4 5024 B10R0.97 CN(C)CCCSCC(=O)[O-] 62a_100020667443_100000757444 [0,2,0,0,0,0|1,0,1]=4 5025 B10R0.97 CN(C)CCNOCC(=O)O 269956a_100000106656_100000755713 [0,2,0,0,0,0|2,0,0]=4 5026 B10R0.97 CN(C)CCOCCC(=O)N 7a_100000757172_100000755713 [0,2,0,0,0,0|2,0,0]=4 5027 B10R0.97 CN(C)CCSCCC(=O)N 62a_100000744528_100000755713 [0,2,0,0,0,0|2,0,0]=4 5028 B10R0.97 C[C@@H](Cl)COCCCC(=O)N 34a_100016084084_100102525003 [0,2,0,0,0,0|2,0,0]=4 5029 B10R0.97 C[C@@H](N)CCOCCC(=O)N 34a_100000706166_100000731001 [0,2,0,0,0,0|1,0,0]=3 5030 B10R0.97 C[C@@H](N)COCCCC(=O)N 34a_100000737577_100102525003 [0,2,0,0,0,0|1,0,0]=3 5031 B10R0.97 C[C@@H](N)COCCOC(=O)N 34a_100000737577_200011214921 [0,2,0,0,0,0|2,0,0]=4 5032 B10R0.97 C[C@@H](O)CNCCCC(=O)N 34a_100000739312_100009817552 [0,2,0,0,0,0|2,0,0]=4 5033 B10R0.97 C[C@@H](O)CSCCCC(=O)N 62a_100009817552_100102525003 [0,2,0,0,0,0|2,0,0]=4 5034 B10R0.97 C[C@@H](O)CSCCCC(=O)N 62a_100102525003_100009817552 [0,2,0,0,0,0|2,0,0]=4 5035 B10R0.97 NC(=O)CCCNCC(=O)N 34a_100000739312_100000187820 [0,2,0,0,0,0|1,0,1]=4 5036 B10R0.97 NC(=O)CCCNCC(=O)O 269956a_100016091260_100102525003 [0,2,0,0,0,0|0,0,1]=3 5037 B10R0.97 NC(=O)CCCNCC(=O)[O-] 34a_100000739312_100020667443 [0,2,0,0,0,0|0,0,2]=4 5038 B10R0.97 NC(=O)CCCNCC(F)F 34a_100000739312_100011934356 [0,2,0,0,0,0|2,0,0]=4 5039 B10R0.97 NC(=O)CCCNCC(F)F 34a_100000765723_100102525003 [0,2,0,0,0,0|2,0,0]=4 5040 B10R0.97 NC(=O)CCCOCC(F)F 34a_100000743014_100102525003 [0,2,0,0,0,0|2,0,0]=4 5041 B10R0.97 NC(=O)CCCSCC(=O)N 62a_100000747473_100102525003 [0,2,0,0,0,0|1,0,1]=4 5042 B10R0.97 NC(=O)CCCSCC(=O)N 62a_100102525003_100000747473 [0,2,0,0,0,0|1,0,1]=4 5043 B10R0.97 NC(=O)CCCSCC(=O)[O-] 62a_100020667443_100102525003 [0,2,0,0,0,0|0,0,2]=4 5044 B10R0.97 NC(=O)CCCSCC(=O)[O-] 62a_100102525003_100020667443 [0,2,0,0,0,0|0,0,2]=4 5045 B10R0.97 NC(=O)CCCSCC(F)F 62a_100011934356_100102525003 [0,2,0,0,0,0|2,0,0]=4 5046 B10R0.97 NC(=O)CCCSCC(F)F 62a_100102525003_100011934356 [0,2,0,0,0,0|2,0,0]=4 5047 B10R0.97 NC(=O)CCNOCC(=O)O 269956a_100000106656_100000744528 [0,2,0,0,0,0|1,0,1]=4 5048 B10R0.97 NC(=O)CCOCCC(=O)N 34a_100000757172_100000731001 [0,2,0,0,0,0|1,0,1]=4 5049 B10R0.97 NC(=O)CCOCCC(=O)N 7a_100000757172_100000744528 [0,2,0,0,0,0|1,0,1]=4 5050 B10R0.97 NC(=O)CCOCCC(F)F 34a_100103093639_100000731001 [0,2,0,0,0,0|2,0,0]=4 5051 B10R0.97 NC(=O)CCSCCC(=O)N 62a_100000744528_100000744528 [0,2,0,0,0,0|1,0,1]=4 5052 B10R0.97 NC(=O)NCCNCC(=O)O 269956a_100016091260_200000034859 [0,2,0,0,0,0|1,0,1]=4 5053 B10R0.97 [13CH3]C(=O)CCCCC[N+](=O)[O-] 1458a_100000043470_200025704644 [0,2,0,0,0,0|1,0,1]=4 5054 B10R0.18 CCCCC(=O)CC(=O)OC 1458a_100000210183_100000747449 [0,2,0,0,0,0|1,0,1]=4 5055 B10R0.18 CCCCC(=O)CC(=O)OC 1458a_100000211351_100000210211 [0,2,0,0,0,0|1,0,1]=4 5056 B10R0.18 CCCCC(C)NC(=O)CO 240690a_100000126638_100000210174 [0,2,0,0,0,0|2,0,0]=4 5057 B10R0.18 CCCCC(C)NC(=O)CO 527a_100000126638_100000210174 [0,2,0,0,0,0|2,0,0]=4 5058 B10R0.18 CCCCN(C)CC(=O)OC 2230a_100000198492_100000210211 [0,2,0,0,0,0|2,0,0]=4 5059 B10R0.18 CCCCN(C)CC(=O)OC 2230a_100000207549_100000747449 [0,2,0,0,0,0|2,0,0]=4 5060 B10R0.18 CCCCN(C)CC(=O)OC 269982a_100000207549_100000747449 [0,2,0,0,0,0|2,0,0]=4 5061 B10R0.18 CCCOC(C)CC(=O)OC 34a_100000210258_100009817358 [0,2,0,0,0,0|2,0,0]=4 5062 B10R0.18 CCCSC(C)CC(=O)OC 62a_100000210303_100009817358 [0,2,0,0,0,0|2,0,0]=4 5063 B10R0.18 CCCSC(C)CC(=O)OC 62a_100009817358_100000210303 [0,2,0,0,0,0|2,0,0]=4 5064 B10R0.18 CCOC[C@H](O)CC(=O)OC 34a_100121572206_100000754131 [0,2,0,0,0,0|2,0,0]=4 5065 B10R0.18 CCSC[C@H](O)CC(=O)OC 62a_100000210202_100000754131 [0,2,0,0,0,0|2,0,0]=4 5066 B10R0.18 CCSC[C@H](O)CC(=O)OC 62a_100000754131_100000210202 [0,2,0,0,0,0|2,0,0]=4 5067 B10R0.18 COC(=O)CC(=O)CCCF 1458a_100000211351_100011934791 [0,2,0,0,0,0|1,0,1]=4 5068 B10R0.18 COC(=O)CC(=O)CCCO 1458a_100000211351_100011215043 [0,2,0,0,0,0|1,0,1]=4 5069 B10R0.18 COC(=O)CC(C)NCCF 34a_100000724931_100009817358 [0,2,0,0,0,0|2,0,0]=4 5070 B10R0.18 COC(=O)CC(C)NCCO 2230a_100016997473_100009817358 [0,2,0,0,0,0|2,0,0]=4 5071 B10R0.18 COC(=O)CC(C)NCCO 34a_100016990907_100009817358 [0,2,0,0,0,0|2,0,0]=4 5072 B10R0.18 COC(=O)CC(C)OCCBr 34a_100000211926_100009817358 [0,2,0,0,0,0|2,0,0]=4 5073 B10R0.18 COC(=O)CC(C)OCCN 34a_100000210304_100009817358 [0,2,0,0,0,0|1,0,0]=3 5074 B10R0.18 COC(=O)CC(C)SCCF 62a_100009817358_100011217306 [0,2,0,0,0,0|2,0,0]=4 5075 B10R0.18 COC(=O)CC(C)SCCF 62a_100011217306_100009817358 [0,2,0,0,0,0|2,0,0]=4 5076 B10R0.18 COC(=O)CC(C)SCCO 62a_100000211926_100009817358 [0,2,0,0,0,0|2,0,0]=4 5077 B10R0.18 COC(=O)CC(C)SCCO 62a_100009817358_100000211926 [0,2,0,0,0,0|2,0,0]=4 5078 B10R0.18 COC(=O)CN(C)CCCF 2230a_100000198492_100011934791 [0,2,0,0,0,0|2,0,0]=4 5079 B10R0.18 COC(=O)CN(C)CCCO 2230a_100000198492_100000230001 [0,2,0,0,0,0|2,0,0]=4 5080 B10R0.18 COC(=O)CN(C)CCCO 2230a_100000213112_100000747449 [0,2,0,0,0,0|2,0,0]=4 5081 B10R0.18 COC(=O)CN(C)CCCO 269982a_100000213112_100000747449 [0,2,0,0,0,0|2,0,0]=4 5082 B10R0.18 COC(=O)C[C@@H](O)CSCF 62a_100000754131_100015361967 [0,2,0,0,0,0|2,0,0]=4 5083 B10R0.18 COC(=O)C[C@@H](O)CSCF 62a_100015361967_100000754131 [0,2,0,0,0,0|2,0,0]=4 5084 B10R0.32 CC(CCO)N(C)CC(=O)O 269956a_100000746989_100009893172 [0,2,0,0,0,0|2,0,0]=4 5085 B10R0.32 CCCC(C)N(C)CC(=O)O 269956a_100000746989_100000766640 [0,2,0,0,0,0|2,0,0]=4 5086 B10R0.81 CC(C(=O)O)N(C)CCCF 269956a_100000749554_100011934791 [0,2,0,0,0,0|2,0,0]=4 5087 B10R0.81 CC(C(=O)O)N(C)CCCO 269956a_100000749554_100011215043 [0,2,0,0,0,0|2,0,0]=4 5088 B10R0.81 CCCCN(C)C(C)C(=O)O 269956a_100000749554_100000210211 [0,2,0,0,0,0|2,0,0]=4 5089 B10R0.87 CCCCC(CC)CC(=O)C 1458a_100000070787_100000211942 [0,2,0,0,0,0|2,0,0]=4 5090 B10R0.87 CCCCN(CC)CC(=O)O 269956a_100000746405_100000210211 [0,2,0,0,0,0|2,0,0]=4 5091 B10R0.87 CCCN[C@H](CC)CC(=O)O 269956a_100016995926_100000210207 [0,2,0,0,0,0|2,0,0]=4 5092 B10R0.87 CCCN[C@H](CO)CC(=O)O 269956a_100009816507_100000210207 [0,2,0,0,0,0|2,0,0]=4 5093 B10R0.87 CCN(CCCF)CC(=O)O 269956a_100000746405_100011934791 [0,2,0,0,0,0|2,0,0]=4 5094 B10R0.87 CCN(CCCO)CC(=O)O 269956a_100000746405_100011215043 [0,2,0,0,0,0|2,0,0]=4 5095 B10R0.87 CC[C@H](CC(=O)O)NCCF 269956a_100016995926_100011217306 [0,2,0,0,0,0|2,0,0]=4 5096 B10R0.87 CC[C@H](CC(=O)O)NCCO 269956a_100016995926_100000211926 [0,2,0,0,0,0|2,0,0]=4 5097 B10R0.87 O=C(O)C[C@@H](CO)NCCF 269956a_100009816507_100011217306 [0,2,0,0,0,0|2,0,0]=4 5098 B10R0.87 O=C(O)C[C@@H](CO)NCCO 269956a_100009816507_100000211926 [0,2,0,0,0,0|2,0,0]=4 5099 B10R0.96 CC(C)CC(C)NCC(=O)O 269956a_100016091260_100000731052 [0,2,0,0,0,0|2,0,0]=4 5100 B10R0.96 CC(C)CCN(C)CC(=O)O 269956a_100000746989_100000210312 [0,2,0,0,0,0|2,0,0]=4 5101 B10R0.96 CC(C)NCC(O)CC(=O)O 269956a_100011218706_100000210206 [0,2,0,0,0,0|2,0,0]=4 5102 B10R0.96 CC(O)CCN(C)CC(=O)O 269956a_100000746989_100012276601 [0,2,0,0,0,0|2,0,0]=4 5103 B10R0.96 CN(CCC(=O)N)CC(=O)O 269956a_100000746989_100000744528 [0,2,0,0,0,0|1,0,1]=4 5104 B10R0.122 CC(C)(CC(=O)O)NCCF 269956a_100000755897_100011217306 [0,2,0,0,0,0|2,0,0]=4 5105 B10R0.122 CC(C)(CC(=O)O)NCCO 269956a_100000755897_100000211926 [0,2,0,0,0,0|2,0,0]=4 5106 B10R0.122 CCCNC(C)(C)CC(=O)O 269956a_100000755897_100000210207 [0,2,0,0,0,0|2,0,0]=4 5107 B10R0.15 CC(=O)CCCCC(F)(F)F 1458a_100000070787_100000692467 [0,2,0,0,0,0|2,0,0]=4 5108 B10R0.15 CC(C)(C)CCNCC(=O)O 269956a_100016091260_100000755188 [0,2,0,0,0,0|2,0,0]=4 5109 B10R0.15 CC(C)(O)CCNCC(=O)O 269956a_100016091260_100000702414 [0,2,0,0,0,0|2,0,0]=4 5110 B10R0.15 O=C(O)CNCCC(F)(F)F 269956a_100016091260_100011219754 [0,2,0,0,0,0|2,0,0]=4 5111 B10R0.1 C#CCC(=O)CCCCCC 1458a_100011220946_100000210757 [0,2,0,0,0,0|2,0,0]=4 5112 B10R0.1 C#CCC(=O)CCCCCC 1458a_100102632555_100000184674 [0,2,0,0,0,0|2,0,0]=4 5113 B10R0.1 C#CCC(=O)CCCCCF 1458a_100011220946_100000729378 [0,2,0,0,0,0|2,0,0]=4 5114 B10R0.1 C#CCC(=O)CCCCCO 1458a_100011220946_100000746330 [0,2,0,0,0,0|2,0,0]=4 5115 B10R0.1 C#CCC(=O)CCCCCO 1458a_100102619762_100000184674 [0,2,0,0,0,0|2,0,0]=4 5116 B10R0.1 C#CCCCCC(=O)CCO 1458a_100000696528_100000211926 [0,2,0,0,0,0|1,0,1]=4 5117 B10R0.1 C#CCCCCC(=O)CCO 1458a_100011216618_100010269958 [0,2,0,0,0,0|1,0,1]=4 5118 B10R0.1 C#CCCCCC(=O)COC 1458a_100000210968_100010269958 [0,2,0,0,0,0|1,0,1]=4 5119 B10R0.1 C=CCC(=O)CCCCCC 1458a_100000210193_100000210757 [0,2,0,0,0,0|2,0,0]=4 5120 B10R0.1 C=CCC(=O)CCCCCC 1458a_100102632555_100000210623 [0,2,0,0,0,0|2,0,0]=4 5121 B10R0.1 C=CCC(=O)CCCCCF 1458a_100000210193_100000729378 [0,2,0,0,0,0|2,0,0]=4 5122 B10R0.1 C=CCC(=O)CCCCCO 1458a_100000210193_100000746330 [0,2,0,0,0,0|2,0,0]=4 5123 B10R0.1 C=CCC(=O)CCCCCO 1458a_100102619762_100000210623 [0,2,0,0,0,0|2,0,0]=4 5124 B10R0.1 C=CCCCCC(=O)CCO 1458a_100011215552_100000211926 [0,2,0,0,0,0|1,0,1]=4 5125 B10R0.1 C=CCCCCC(=O)CCO 1458a_100011216618_100011215482 [0,2,0,0,0,0|1,0,1]=4 5126 B10R0.1 C=CCCCCC(=O)COC 1458a_100000210968_100011215482 [0,2,0,0,0,0|1,0,1]=4 5127 B10R0.1 C=COC(=O)CNCCCC 2230a_100000102301_100000036128 [0,2,0,0,0,0|2,0,0]=4 5128 B10R0.1 C=COC(=O)CNCCCF 2230a_100015189416_100000036128 [0,2,0,0,0,0|2,0,0]=4 5129 B10R0.1 C=COC(=O)CNCCCF 34a_100015189416_100000036128 [0,2,0,0,0,0|2,0,0]=4 5130 B10R0.1 C=COC(=O)COCCCBr 34a_100011217188_100000036128 [0,2,0,0,0,0|2,0,0]=4 5131 B10R0.1 C=COC(=O)COCCCC 34a_100000210227_100000036128 [0,2,0,0,0,0|2,0,0]=4 5132 B10R0.1 C=COC(=O)COCCCCl 34a_100000230001_100000036128 [0,2,0,0,0,0|2,0,0]=4 5133 B10R0.1 C=COC(=O)COCCCF 34a_100000759539_100000036128 [0,2,0,0,0,0|2,0,0]=4 5134 B10R0.1 C=COC(=O)COCCCN 34a_100000182051_100000036128 [0,2,0,0,0,0|1,0,0]=3 5135 B10R0.1 C=COC(=O)COCCON 34a_100000700252_100000036128 [0,2,0,0,0,0|2,0,0]=4 5136 B10R0.1 C=COC(=O)CSCCCC 62a_100000036128_100000210210 [0,2,0,0,0,0|2,0,0]=4 5137 B10R0.1 C=COC(=O)CSCCCC 62a_100000210211_100000036128 [0,2,0,0,0,0|2,0,0]=4 5138 B10R0.1 C=COC(=O)CSCCCF 62a_100000036128_100011934791 [0,2,0,0,0,0|2,0,0]=4 5139 B10R0.1 C=COC(=O)CSCCCF 62a_100011934791_100000036128 [0,2,0,0,0,0|2,0,0]=4 5140 B10R0.1 C=COC(=O)CSCCCO 62a_100000036128_100011215043 [0,2,0,0,0,0|2,0,0]=4 5141 B10R0.1 C=COC(=O)CSCCCO 62a_100011215043_100000036128 [0,2,0,0,0,0|2,0,0]=4 5142 B10R0.1 CC#CC(=O)CCCCCC 1458a_100000763181_100000210757 [0,2,0,0,0,0|2,0,0]=4 5143 B10R0.1 CC#CC(=O)CCCCCF 1458a_100000763181_100000729378 [0,2,0,0,0,0|2,0,0]=4 5144 B10R0.1 CC#CC(=O)CCCCCO 1458a_100000763181_100000746330 [0,2,0,0,0,0|2,0,0]=4 5145 B10R0.1 CC=CC(=O)CCCCCC 1458a_100000210699_100000210757 [0,2,0,0,0,0|2,0,0]=4 5146 B10R0.1 CC=CC(=O)CCCCCF 1458a_100000210699_100000729378 [0,2,0,0,0,0|2,0,0]=4 5147 B10R0.1 CC=CC(=O)CCCCCO 1458a_100000210699_100000746330 [0,2,0,0,0,0|2,0,0]=4 5148 B10R0.1 CCCC(=O)CCCCCF 1458a_100000211992_100000729378 [0,2,0,0,0,0|2,0,0]=4 5149 B10R0.1 CCCC(=O)CCCCCO 1458a_100000211992_100000746330 [0,2,0,0,0,0|2,0,0]=4 5150 B10R0.1 CCCC(=O)CCCCCO 1458a_100102619762_100000210303 [0,2,0,0,0,0|2,0,0]=4 5151 B10R0.1 CCCCCCC(=O)C=CBr 1458a_100016273825_100000210757 [0,2,0,0,0,0|2,0,0]=4 5152 B10R0.1 CCCCCCC(=O)C=CCl 1458a_200016279998_100000210757 [0,2,0,0,0,0|2,0,0]=4 5153 B10R0.1 CCCCCCC(=O)C=CI 1458a_100016256311_100000210757 [0,2,0,0,0,0|2,0,0]=4 5154 B10R0.1 CCCCCCC(=O)CC#N 1458a_100051588842_100000210757 [0,2,0,0,0,0|2,0,0]=4 5155 B10R0.1 CCCCCCC(=O)CC#N 1458a_100102632555_100011214920 [0,2,0,0,0,0|2,0,0]=4 5156 B10R0.1 CCCCCCC(=O)CCC 1458a_100000211992_100000210757 [0,2,0,0,0,0|2,0,0]=4 5157 B10R0.1 CCCCCCC(=O)CCC 1458a_100102632555_100000210303 [0,2,0,0,0,0|2,0,0]=4 5158 B10R0.1 CCCCCCC(=O)CCF 1458a_100102632555_100011217306 [0,2,0,0,0,0|2,0,0]=4 5159 B10R0.1 CCCCCCC(=O)CCO 1458a_100011216618_100000210757 [0,2,0,0,0,0|1,0,0]=3 5160 B10R0.1 CCCCCCC(=O)CCO 1458a_100102632555_100000211926 [0,2,0,0,0,0|1,0,0]=3 5161 B10R0.1 CCCCCCC(=O)COC 1458a_100000210968_100000210757 [0,2,0,0,0,0|1,0,0]=3 5162 B10R0.1 CCCCCCC(=O)CSC 1458a_100000184570_100000210757 [0,2,0,0,0,0|1,1,0]=4 5163 B10R0.1 CCCCCCC(=O)NCC 11a_100015525214_100102632555 [0,2,0,0,0,0|2,0,0]=4 5164 B10R0.1 CCCCCCC(=O)NCC 240690a_100015525214_100102632555 [0,2,0,0,0,0|2,0,0]=4 5165 B10R0.1 CCCCCCC(=O)NCC 527a_100015525214_100102632555 [0,2,0,0,0,0|2,0,0]=4 5166 B10R0.1 CCCCCCC(=O)NNC 22a_100016993582_100102632555 [0,2,0,0,0,0|2,0,0]=4 5167 B10R0.1 CCCCCNC(=O)CCO 240690a_100000209983_100011216618 [0,2,0,0,0,0|2,0,0]=4 5168 B10R0.1 CCCCCNC(=O)COC 11a_100000209983_100000210968 [0,2,0,0,0,0|2,0,0]=4 5169 B10R0.1 CCCCCNC(=O)COC 1626a_100000209983_100000210968 [0,2,0,0,0,0|2,0,0]=4 5170 B10R0.1 CCCCCNC(=O)COC 240690a_100000209983_100000210968 [0,2,0,0,0,0|2,0,0]=4 5171 B10R0.1 CCCCCNC(=O)COC 34a_100138415774_100000230301 [0,2,0,0,0,0|2,0,0]=4 5172 B10R0.1 CCCCCNC(=O)COC 527a_100000209983_100000210968 [0,2,0,0,0,0|2,0,0]=4 5173 B10R0.1 CCCCNCC(=O)NCO 2230a_100000102301_100000185155 [0,2,0,0,0,0|2,0,0]=4 5174 B10R0.1 CCCCNCC(=O)NCO 7a_106832991798_100000185155 [0,2,0,0,0,0|2,0,0]=4 5175 B10R0.1 CCCCNCC(=O)OCC 2230a_100000102301_100000188475 [0,2,0,0,0,0|2,0,0]=4 5176 B10R0.1 CCCCNCC(=O)OCC 7a_106832991798_100000188475 [0,2,0,0,0,0|2,0,0]=4 5177 B10R0.1 CCCCOCC(=O)CCO 1458a_100000757543_100000211926 [0,2,0,0,0,0|2,0,0]=4 5178 B10R0.1 CCCCOCC(=O)CCO 1458a_100011216618_100011995733 [0,2,0,0,0,0|2,0,0]=4 5179 B10R0.1 CCCCOCC(=O)COC 1458a_100000210968_100011995733 [0,2,0,0,0,0|2,0,0]=4 5180 B10R0.1 CCCCOCC(=O)NCO 34a_100000210227_100000185155 [0,2,0,0,0,0|2,0,0]=4 5181 B10R0.1 CCCCOCC(=O)NCO 7a_100000210227_100000185155 [0,2,0,0,0,0|2,0,0]=4 5182 B10R0.1 CCCCOCC(=O)OCC 34a_100000210227_100000188475 [0,2,0,0,0,0|2,0,0]=4 5183 B10R0.1 CCCCOCC(=O)OCC 7a_100000210227_100000188475 [0,2,0,0,0,0|2,0,0]=4 5184 B10R0.1 CCCCSCC(=O)CCO 1458a_100000191162_100000211926 [0,2,0,0,0,0|2,0,0]=4 5185 B10R0.1 CCCCSCC(=O)NCO 62a_100000185155_100000210210 [0,2,0,0,0,0|2,0,0]=4 5186 B10R0.1 CCCCSCC(=O)NCO 62a_100000210211_100000185155 [0,2,0,0,0,0|2,0,0]=4 5187 B10R0.1 CCCCSCC(=O)OCC 62a_100000188475_100000210210 [0,2,0,0,0,0|2,0,0]=4 5188 B10R0.1 CCCCSCC(=O)OCC 62a_100000210211_100000188475 [0,2,0,0,0,0|2,0,0]=4 5189 B10R0.1 CCCOCCC(=O)CCO 1458a_100011216618_100011215938 [0,2,0,0,0,0|2,0,0]=4 5190 B10R0.1 CCCOCCC(=O)COC 1458a_100000210968_100011215938 [0,2,0,0,0,0|2,0,0]=4 5191 B10R0.1 CCCOCCC(=O)OCC 34a_100000210258_100000765890 [0,2,0,0,0,0|2,0,0]=4 5192 B10R0.1 CCCSCCC(=O)OCC 62a_100000210303_100000765890 [0,2,0,0,0,0|2,0,0]=4 5193 B10R0.1 CCCSCCC(=O)OCC 62a_100000765890_100000210303 [0,2,0,0,0,0|2,0,0]=4 5194 B10R0.1 CCNC(=O)CCCCCO 240690a_100015525214_100102619762 [0,2,0,0,0,0|2,0,0]=4 5195 B10R0.1 CCNC(=O)COCCCN 34a_100000182051_100000183381 [0,2,0,0,0,0|2,0,0]=4 5196 B10R0.1 CCNCCCC(=O)OCC 2230a_100015525214_100009991533 [0,2,0,0,0,0|2,0,0]=4 5197 B10R0.1 CCOC(=O)CCCCNC 2230a_106832991635_100000750268 [0,2,0,0,0,0|2,0,0]=4 5198 B10R0.1 CCOC(=O)CCCCNC 34a_100102657272_100000750268 [0,2,0,0,0,0|2,0,0]=4 5199 B10R0.1 CCOC(=O)CCCCNC 7a_106832991635_100000750268 [0,2,0,0,0,0|2,0,0]=4 5200 B10R0.1 CCOC(=O)CCCCOC 34a_100138415774_100000750268 [0,2,0,0,0,0|2,0,0]=4 5201 B10R0.1 CCOC(=O)CCCCSC 62a_100000750268_200000210301 [0,2,0,0,0,0|2,0,0]=4 5202 B10R0.1 CCOC(=O)CCCCSC 62a_200000210301_100000750268 [0,2,0,0,0,0|2,0,0]=4 5203 B10R0.1 CCOC(=O)CCCCS[13CH3] 62a_100000750268_200025704644 [0,2,0,0,0,0|2,0,0]=4 5204 B10R0.1 CCOC(=O)CCCCS[13CH3] 62a_200025704644_100000750268 [0,2,0,0,0,0|2,0,0]=4 5205 B10R0.1 CCOC(=O)CCCOCF 7a_100012001163_100015361967 [0,2,0,0,0,0|2,0,0]=4 5206 B10R0.1 CCOC(=O)CCCSCC 62a_100000210202_100009991533 [0,2,0,0,0,0|2,0,0]=4 5207 B10R0.1 CCOC(=O)CCCSCC 62a_100009991533_100000210202 [0,2,0,0,0,0|2,0,0]=4 5208 B10R0.1 CCOC(=O)CCCSCF 62a_100009991533_100015361967 [0,2,0,0,0,0|2,0,0]=4 5209 B10R0.1 CCOC(=O)CCCSCF 62a_100015361967_100009991533 [0,2,0,0,0,0|2,0,0]=4 5210 B10R0.1 CCOC(=O)CCNCCF 34a_100000724931_100000765890 [0,2,0,0,0,0|2,0,0]=4 5211 B10R0.1 CCOC(=O)CCNCCO 2230a_100016997473_100011206558 [0,2,0,0,0,0|2,0,0]=4 5212 B10R0.1 CCOC(=O)CCNCCO 34a_100016990907_100000765890 [0,2,0,0,0,0|2,0,0]=4 5213 B10R0.1 CCOC(=O)CCOCCBr 34a_100000211926_100000765890 [0,2,0,0,0,0|2,0,0]=4 5214 B10R0.1 CCOC(=O)CCOCCN 34a_100000210304_100000765890 [0,2,0,0,0,0|1,0,0]=3 5215 B10R0.1 CCOC(=O)CCSCCF 62a_100000765890_100011217306 [0,2,0,0,0,0|2,0,0]=4 5216 B10R0.1 CCOC(=O)CCSCCF 62a_100011217306_100000765890 [0,2,0,0,0,0|2,0,0]=4 5217 B10R0.1 CCOC(=O)CCSCCO 62a_100000211926_100000765890 [0,2,0,0,0,0|2,0,0]=4 5218 B10R0.1 CCOC(=O)CCSCCO 62a_100000765890_100000211926 [0,2,0,0,0,0|2,0,0]=4 5219 B10R0.1 CCOC(=O)CNCCCF 2230a_100015189416_100000188475 [0,2,0,0,0,0|2,0,0]=4 5220 B10R0.1 CCOC(=O)CNCCCF 34a_100015189416_100000188475 [0,2,0,0,0,0|2,0,0]=4 5221 B10R0.1 CCOC(=O)COCCCBr 34a_100011217188_100000188475 [0,2,0,0,0,0|2,0,0]=4 5222 B10R0.1 CCOC(=O)COCCCCl 34a_100000230001_100000188475 [0,2,0,0,0,0|2,0,0]=4 5223 B10R0.1 CCOC(=O)COCCCF 34a_100000759539_100000188475 [0,2,0,0,0,0|2,0,0]=4 5224 B10R0.1 CCOC(=O)COCCCN 34a_100000182051_100000188475 [0,2,0,0,0,0|1,0,0]=3 5225 B10R0.1 CCOC(=O)COCCON 34a_100000700252_100000188475 [0,2,0,0,0,0|2,0,0]=4 5226 B10R0.1 CCOC(=O)CSCCCF 62a_100000188475_100011934791 [0,2,0,0,0,0|2,0,0]=4 5227 B10R0.1 CCOC(=O)CSCCCF 62a_100011934791_100000188475 [0,2,0,0,0,0|2,0,0]=4 5228 B10R0.1 CCOC(=O)CSCCCO 62a_100000188475_100011215043 [0,2,0,0,0,0|2,0,0]=4 5229 B10R0.1 CCOC(=O)CSCCCO 62a_100011215043_100000188475 [0,2,0,0,0,0|2,0,0]=4 5230 B10R0.1 CCOCCCC(=O)CCO 1458a_100011216618_100012232248 [0,2,0,0,0,0|2,0,0]=4 5231 B10R0.1 CCOCCCC(=O)COC 1458a_100000210968_100012232248 [0,2,0,0,0,0|2,0,0]=4 5232 B10R0.1 CCOCCCC(=O)OCC 34a_100121572206_100009991533 [0,2,0,0,0,0|2,0,0]=4 5233 B10R0.1 CCOCCCC(=O)OCC 7a_100012001163_100000210202 [0,2,0,0,0,0|2,0,0]=4 5234 B10R0.1 CNNC(=O)CCCCCO 22a_100016993582_100102619762 [0,2,0,0,0,0|2,0,0]=4 5235 B10R0.1 COCC(=O)CCCCC#N 1458a_100000210968_100000211819 [0,2,0,0,0,0|0,0,2]=4 5236 B10R0.1 COCC(=O)CCCCCF 1458a_100000210968_100000729378 [0,2,0,0,0,0|1,0,0]=3 5237 B10R0.1 COCC(=O)CCCCCO 1458a_100000210968_100000746330 [0,2,0,0,0,0|1,0,0]=3 5238 B10R0.1 COCC(=O)CCOCCO 1458a_100000210968_100011215305 [0,2,0,0,0,0|2,0,0]=4 5239 B10R0.1 COCC(=O)NCCCCO 240690a_100000750430_100000210968 [0,2,0,0,0,0|2,0,0]=4 5240 B10R0.1 COCC(=O)NCCCCO 527a_100000750430_100000210968 [0,2,0,0,0,0|2,0,0]=4 5241 B10R0.1 COCCCCC(=O)CCO 1458a_100011216618_100000755781 [0,2,0,0,0,0|2,0,0]=4 5242 B10R0.1 COCCCCC(=O)COC 1458a_100000210968_100000755781 [0,2,0,0,0,0|2,0,0]=4 5243 B10R0.1 CSCC(=O)CCCCCF 1458a_100000184570_100000729378 [0,2,0,0,0,0|1,1,0]=4 5244 B10R0.1 CSCC(=O)CCCCCO 1458a_100000184570_100000746330 [0,2,0,0,0,0|1,1,0]=4 5245 B10R0.1 N#CCC(=O)CCCCCF 1458a_100051588842_100000729378 [0,2,0,0,0,0|2,0,0]=4 5246 B10R0.1 N#CCC(=O)CCCCCO 1458a_100051588842_100000746330 [0,2,0,0,0,0|2,0,0]=4 5247 B10R0.1 N#CCC(=O)CCCCCO 1458a_100102619762_100011214920 [0,2,0,0,0,0|2,0,0]=4 5248 B10R0.1 N#CCCCCC(=O)CCO 1458a_100011216618_100000211819 [0,2,0,0,0,0|0,0,2]=4 5249 B10R0.1 NCCCOCC(=O)NCO 34a_100000182051_100000185155 [0,2,0,0,0,0|1,0,0]=3 5250 B10R0.1 NOCCOCC(=O)NCO 34a_100000700252_100000185155 [0,2,0,0,0,0|2,0,0]=4 5251 B10R0.1 O=C(C=CBr)CCCCCF 1458a_100016273825_100000729378 [0,2,0,0,0,0|2,0,0]=4 5252 B10R0.1 O=C(C=CBr)CCCCCO 1458a_100016273825_100000746330 [0,2,0,0,0,0|2,0,0]=4 5253 B10R0.1 O=C(C=CCl)CCCCCF 1458a_200016279998_100000729378 [0,2,0,0,0,0|2,0,0]=4 5254 B10R0.1 O=C(C=CCl)CCCCCO 1458a_200016279998_100000746330 [0,2,0,0,0,0|2,0,0]=4 5255 B10R0.1 O=C(C=CI)CCCCCF 1458a_100016256311_100000729378 [0,2,0,0,0,0|2,0,0]=4 5256 B10R0.1 O=C(C=CI)CCCCCO 1458a_100016256311_100000746330 [0,2,0,0,0,0|2,0,0]=4 5257 B10R0.1 O=C(CCF)CCCCCO 1458a_100102619762_100011217306 [0,2,0,0,0,0|2,0,0]=4 5258 B10R0.1 O=C(CCO)CCCCCF 1458a_100011216618_100000729378 [0,2,0,0,0,0|1,0,0]=3 5259 B10R0.1 O=C(CCO)CCCCCO 1458a_100011216618_100000746330 [0,2,0,0,0,0|1,0,0]=3 5260 B10R0.1 O=C(CCO)CCCCCO 1458a_100102619762_100000211926 [0,2,0,0,0,0|1,0,0]=3 5261 B10R0.1 O=C(CCO)CCOCCO 1458a_100011216618_100011215305 [0,2,0,0,0,0|2,0,0]=4 5262 B10R0.1 O=C(CCO)CCOCCO 1458a_100011229844_100000211926 [0,2,0,0,0,0|2,0,0]=4 5263 B10R0.1 O=C(CCO)NCCCCO 240690a_100000750430_100011216618 [0,2,0,0,0,0|2,0,0]=4 5264 B10R0.1 O=C(CNCCCF)NCO 2230a_100015189416_100000185155 [0,2,0,0,0,0|2,0,0]=4 5265 B10R0.1 O=C(CNCCCF)NCO 34a_100015189416_100000185155 [0,2,0,0,0,0|2,0,0]=4 5266 B10R0.1 O=C(COCCCBr)NCO 34a_100011217188_100000185155 [0,2,0,0,0,0|2,0,0]=4 5267 B10R0.1 O=C(COCCCCl)NCO 34a_100000230001_100000185155 [0,2,0,0,0,0|2,0,0]=4 5268 B10R0.1 O=C(COCCCF)NCO 34a_100000759539_100000185155 [0,2,0,0,0,0|2,0,0]=4 5269 B10R0.1 O=C(CSCCCF)NCO 62a_100000185155_100011934791 [0,2,0,0,0,0|2,0,0]=4 5270 B10R0.1 O=C(CSCCCF)NCO 62a_100011934791_100000185155 [0,2,0,0,0,0|2,0,0]=4 5271 B10R0.1 O=C(CSCCCO)NCO 62a_100000185155_100011215043 [0,2,0,0,0,0|2,0,0]=4 5272 B10R0.1 O=C(CSCCCO)NCO 62a_100011215043_100000185155 [0,2,0,0,0,0|2,0,0]=4 5273 B10R0.83 C#CC(=O)C(C)CCCCC 1458a_100000211873_200011218191 [0,2,0,0,0,0|2,0,0]=4 5274 B10R0.83 C=C(COCCN)C(=O)OC 34a_100000210304_100009813391 [0,2,0,0,0,0|1,0,1]=4 5275 B10R0.83 C=CC(=O)C(C)CCCCC 1458a_100000185746_200011218191 [0,2,0,0,0,0|2,0,0]=4 5276 B10R0.83 CCCCCC(C)C(=O)CC 1458a_100000210414_200011218191 [0,2,0,0,0,0|2,0,0]=4 5277 B10R0.83 CCCCCC(C)C(=O)CC 1458a_100011215998_100000210202 [0,2,0,0,0,0|2,0,0]=4 5278 B10R0.83 CCCCCC(C)C(=O)CF 1458a_100011215998_100015361967 [0,2,0,0,0,0|2,0,0]=4 5279 B10R0.83 CCCCCC(C)C(=O)CO 1458a_100000210174_200011218191 [0,2,0,0,0,0|1,0,0]=3 5280 B10R0.83 CCCCCC(C)C(=O)NC 11a_106832991635_100011215998 [0,2,0,0,0,0|2,0,0]=4 5281 B10R0.83 CCCCCC(C)C(=O)NC 1626a_100102657272_100011215998 [0,2,0,0,0,0|2,0,0]=4 5282 B10R0.83 CCCCCC(C)C(=O)NC 240690a_100102657272_100011215998 [0,2,0,0,0,0|2,0,0]=4 5283 B10R0.83 CCCCCC(C)C(=O)NC 527a_100102657272_100011215998 [0,2,0,0,0,0|2,0,0]=4 5284 B10R0.83 CCCCCN(C)C(=O)CO 240690a_100000223495_100000210174 [0,2,0,0,0,0|2,0,0]=4 5285 B10R0.83 CCCCCN(C)C(=O)CO 527a_100000223495_100000210174 [0,2,0,0,0,0|2,0,0]=4 5286 B10R0.83 CCCCNC(C)C(=O)OC 2230a_100000102301_100000211248 [0,2,0,0,0,0|2,0,0]=4 5287 B10R0.83 CCCCNC(C)C(=O)OC 7a_106832991798_100000211248 [0,2,0,0,0,0|2,0,0]=4 5288 B10R0.83 CCCCOC(C)C(=O)OC 34a_100000210227_100000211248 [0,2,0,0,0,0|2,0,0]=4 5289 B10R0.83 CCCCOC(C)C(=O)OC 34a_100011215400_100000210210 [0,2,0,0,0,0|2,0,0]=4 5290 B10R0.83 CCCCOC(C)C(=O)OC 7a_100000210227_100000211248 [0,2,0,0,0,0|2,0,0]=4 5291 B10R0.83 CCCCSC(C)C(=O)OC 62a_100000210211_100000211248 [0,2,0,0,0,0|2,0,0]=4 5292 B10R0.83 CCCCSC(C)C(=O)OC 62a_100000211248_100000210210 [0,2,0,0,0,0|2,0,0]=4 5293 B10R0.83 CCCOCC(C)C(=O)OC 34a_100000210258_100000698445 [0,2,0,0,0,0|2,0,0]=4 5294 B10R0.83 CCCOCC(C)C(=O)OC 34a_100000749362_100000210303 [0,2,0,0,0,0|2,0,0]=4 5295 B10R0.83 CCCOCC(C)C(=O)OC 7a_100000749362_100000210303 [0,2,0,0,0,0|2,0,0]=4 5296 B10R0.83 CCCOCC(F)C(=O)OC 34a_200009849844_100000210303 [0,2,0,0,0,0|2,0,0]=4 5297 B10R0.83 CCCOC[C@@H](N)C(=O)OC 34a_100000003586_100000210303 [0,2,0,0,0,0|2,0,0]=4 5298 B10R0.83 CCCSCC(C)C(=O)OC 62a_100000210303_100000698445 [0,2,0,0,0,0|2,0,0]=4 5299 B10R0.83 CCCSCC(C)C(=O)OC 62a_100000698445_100000210303 [0,2,0,0,0,0|2,0,0]=4 5300 B10R0.83 CCNCCC(C)C(=O)OC 2230a_100015525214_100000034942 [0,2,0,0,0,0|2,0,0]=4 5301 B10R0.83 CCOCCC(C)C(=O)OC 34a_100121572206_100000034942 [0,2,0,0,0,0|2,0,0]=4 5302 B10R0.83 CCSCCC(C)C(=O)OC 62a_100000034942_100000210202 [0,2,0,0,0,0|2,0,0]=4 5303 B10R0.83 CCSCCC(C)C(=O)OC 62a_100000210202_100000034942 [0,2,0,0,0,0|2,0,0]=4 5304 B10R0.83 CN(CCCCO)C(=O)CO 240690a_100000717598_100000210174 [0,2,0,0,0,0|2,0,0]=4 5305 B10R0.83 CNC(=O)C(C)OCCCN 34a_100000182051_100000731044 [0,2,0,0,0,0|2,0,0]=4 5306 B10R0.83 CNC(=O)C(F)OCCCN 34a_100000182051_100009813575 [0,2,0,0,0,0|2,0,0]=4 5307 B10R0.83 COC(=O)C(=O)COCCN 34a_100000210304_100011610305 [0,2,0,0,0,0|1,0,1]=4 5308 B10R0.83 COC(=O)C(C)CCSCF 62a_100000034942_100015361967 [0,2,0,0,0,0|2,0,0]=4 5309 B10R0.83 COC(=O)C(C)CCSCF 62a_100015361967_100000034942 [0,2,0,0,0,0|2,0,0]=4 5310 B10R0.83 COC(=O)C(C)CNCCF 34a_100000724931_100000698445 [0,2,0,0,0,0|2,0,0]=4 5311 B10R0.83 COC(=O)C(C)CNCCO 34a_100016990907_100000698445 [0,2,0,0,0,0|2,0,0]=4 5312 B10R0.83 COC(=O)C(C)COCCBr 34a_100000211926_100000698445 [0,2,0,0,0,0|2,0,0]=4 5313 B10R0.83 COC(=O)C(C)COCCF 34a_100000749362_100011217306 [0,2,0,0,0,0|2,0,0]=4 5314 B10R0.83 COC(=O)C(C)COCCF 7a_100000749362_100011217306 [0,2,0,0,0,0|2,0,0]=4 5315 B10R0.83 COC(=O)C(C)COCCN 34a_100000210304_100000698445 [0,2,0,0,0,0|1,0,0]=3 5316 B10R0.83 COC(=O)C(C)COCCO 34a_100000749362_100000211926 [0,2,0,0,0,0|2,0,0]=4 5317 B10R0.83 COC(=O)C(C)COCCO 7a_100000749362_100000211926 [0,2,0,0,0,0|2,0,0]=4 5318 B10R0.83 COC(=O)C(C)CSCCF 62a_100000698445_100011217306 [0,2,0,0,0,0|2,0,0]=4 5319 B10R0.83 COC(=O)C(C)CSCCF 62a_100011217306_100000698445 [0,2,0,0,0,0|2,0,0]=4 5320 B10R0.83 COC(=O)C(C)CSCCO 62a_100000211926_100000698445 [0,2,0,0,0,0|2,0,0]=4 5321 B10R0.83 COC(=O)C(C)CSCCO 62a_100000698445_100000211926 [0,2,0,0,0,0|2,0,0]=4 5322 B10R0.83 COC(=O)C(C)NCCCF 2230a_100015189416_100000211248 [0,2,0,0,0,0|2,0,0]=4 5323 B10R0.83 COC(=O)C(C)NCCCF 34a_100015189416_100000211248 [0,2,0,0,0,0|2,0,0]=4 5324 B10R0.83 COC(=O)C(C)OCCCBr 34a_100011217188_100000211248 [0,2,0,0,0,0|2,0,0]=4 5325 B10R0.83 COC(=O)C(C)OCCCCl 34a_100000230001_100000211248 [0,2,0,0,0,0|2,0,0]=4 5326 B10R0.83 COC(=O)C(C)OCCCF 34a_100000759539_100000211248 [0,2,0,0,0,0|2,0,0]=4 5327 B10R0.83 COC(=O)C(C)OCCCF 34a_100011215400_100011934791 [0,2,0,0,0,0|2,0,0]=4 5328 B10R0.83 COC(=O)C(C)OCCCN 34a_100000182051_100000211248 [0,2,0,0,0,0|1,0,0]=3 5329 B10R0.83 COC(=O)C(C)OCCCO 34a_100011215400_100000230001 [0,2,0,0,0,0|2,0,0]=4 5330 B10R0.83 COC(=O)C(C)OCCON 34a_100000700252_100000211248 [0,2,0,0,0,0|2,0,0]=4 5331 B10R0.83 COC(=O)C(C)SCCCF 62a_100000211248_100011934791 [0,2,0,0,0,0|2,0,0]=4 5332 B10R0.83 COC(=O)C(C)SCCCF 62a_100011934791_100000211248 [0,2,0,0,0,0|2,0,0]=4 5333 B10R0.83 COC(=O)C(C)SCCCO 62a_100000211248_100011215043 [0,2,0,0,0,0|2,0,0]=4 5334 B10R0.83 COC(=O)C(C)SCCCO 62a_100011215043_100000211248 [0,2,0,0,0,0|2,0,0]=4 5335 B10R0.83 COC(=O)C(F)COCCF 34a_200009849844_100011217306 [0,2,0,0,0,0|2,0,0]=4 5336 B10R0.83 COC(=O)C(F)COCCO 34a_200009849844_100000211926 [0,2,0,0,0,0|2,0,0]=4 5337 B10R0.83 COC(=O)[C@H](N)COCCF 34a_100000003586_100011217306 [0,2,0,0,0,0|2,0,0]=4 5338 B10R0.83 COC(=O)[C@H](N)COCCO 34a_100000003586_100000211926 [0,2,0,0,0,0|2,0,0]=4 5339 B10R0.108 CCCC(=O)CCC(=O)OC 1458a_100000187943_100000210303 [0,2,0,0,0,0|1,0,1]=4 5340 B10R0.108 CCCC(C)NCC(=O)OC 2230a_100000741246_100000747449 [0,2,0,0,0,0|2,0,0]=4 5341 B10R0.108 CCCC(C)OCC(=O)OC 34a_100000764384_100000747449 [0,2,0,0,0,0|2,0,0]=4 5342 B10R0.108 CCCC(C)OCC(=O)OC 7a_100000764384_100000747449 [0,2,0,0,0,0|2,0,0]=4 5343 B10R0.108 CCCC(C)SCC(=O)OC 62a_100000747449_100000766640 [0,2,0,0,0,0|2,0,0]=4 5344 B10R0.108 CCCC(C)SCC(=O)OC 62a_100000766640_100000747449 [0,2,0,0,0,0|2,0,0]=4 5345 B10R0.108 CCCN(C)CCC(=O)OC 2230a_100000747261_100000204255 [0,2,0,0,0,0|2,0,0]=4 5346 B10R0.108 CCCN(C)CCC(=O)OC 269982a_100000747261_100000204255 [0,2,0,0,0,0|2,0,0]=4 5347 B10R0.108 CCCN(C)CCC(=O)OC 269982a_100025711912_100000210303 [0,2,0,0,0,0|2,0,0]=4 5348 B10R0.108 COC(=O)CCC(=O)CCF 1458a_100000187943_100011217306 [0,2,0,0,0,0|1,0,1]=4 5349 B10R0.108 COC(=O)CCC(=O)CCO 1458a_100000187943_100000211926 [0,2,0,0,0,0|1,0,1]=4 5350 B10R0.108 COC(=O)CCN(C)CCF 269982a_100025711912_100011217306 [0,2,0,0,0,0|2,0,0]=4 5351 B10R0.108 COC(=O)CCN(C)CCO 2230a_100000210263_100000204255 [0,2,0,0,0,0|2,0,0]=4 5352 B10R0.108 COC(=O)CCN(C)CCO 269982a_100000210263_100000204255 [0,2,0,0,0,0|2,0,0]=4 5353 B10R0.108 COC(=O)CCN(C)CCO 269982a_100025711912_100000211926 [0,2,0,0,0,0|2,0,0]=4 5354 B10R0.108 COC(=O)CN[C@H](C)CCO 2230a_100000706166_100000747449 [0,2,0,0,0,0|2,0,0]=4 5355 B10R0.108 COC(=O)CN[C@H](C)CCO 34a_100000706166_100000747449 [0,2,0,0,0,0|2,0,0]=4 5356 B10R0.108 COC(=O)COC(C)CCBr 34a_100012276601_100000747449 [0,2,0,0,0,0|2,0,0]=4 5357 B10R0.108 COC(=O)CSC(C)CCO 62a_100000747449_100009893172 [0,2,0,0,0,0|2,0,0]=4 5358 B10R0.108 COC(=O)CSC(C)CCO 62a_100009893172_100000747449 [0,2,0,0,0,0|2,0,0]=4 5359 B10R0.26 CC(CCO)N[C@@H](C)C(=O)O 269956a_100000743915_100009893172 [0,2,0,0,0,0|2,0,0]=4 5360 B10R0.26 CCCC(C)N[C@@H](C)C(=O)O 269956a_100000743915_100000766640 [0,2,0,0,0,0|2,0,0]=4 5361 B10R0.42 CC(C)(CNCCF)C(=O)O 269956a_100000693527_100011217306 [0,2,0,0,0,0|2,0,0]=4 5362 B10R0.42 CC(C)(CNCCO)C(=O)O 269956a_100000693527_100000211926 [0,2,0,0,0,0|2,0,0]=4 5363 B10R0.42 CC(C)(COCCN)C(=O)N 34a_100000210304_200009895572 [0,2,0,0,0,0|2,0,0]=4 5364 B10R0.42 CC(C)(OCCCN)C(=O)N 34a_100000182051_100000702505 [0,2,0,0,0,0|2,0,0]=4 5365 B10R0.42 CCCNCC(C)(C)C(=O)O 269956a_100000693527_100000210207 [0,2,0,0,0,0|2,0,0]=4 5366 B10R0.42 CCCNCC(F)(F)C(=O)O 269956a_100000734215_100000210207 [0,2,0,0,0,0|2,0,0]=4 5367 B10R0.42 NCCCOC(F)(F)C(=O)[O-] 34a_100000182051_100020612412 [0,2,0,0,0,0|1,0,1]=4 5368 B10R0.42 O=C(O)C(F)(F)CNCCF 269956a_100000734215_100011217306 [0,2,0,0,0,0|2,0,0]=4 5369 B10R0.42 O=C(O)C(F)(F)CNCCO 269956a_100000734215_100000211926 [0,2,0,0,0,0|2,0,0]=4 5370 B10R0.86 C=C[C@H](NCCCC)C(=O)O 269956a_100016992060_100000210211 [0,2,0,0,0,0|2,0,0]=4 5371 B10R0.86 C=C[C@H](NCCCF)C(=O)O 269956a_100016992060_100011934791 [0,2,0,0,0,0|2,0,0]=4 5372 B10R0.86 C=C[C@H](NCCCO)C(=O)O 269956a_100016992060_100011215043 [0,2,0,0,0,0|2,0,0]=4 5373 B10R0.86 CCC(OCCCN)C(=O)N 34a_100000182051_100000750255 [0,2,0,0,0,0|2,0,0]=4 5374 B10R0.86 CCCCCC(CC)C(=O)C 1458a_100000697129_200000210301 [0,2,0,0,0,0|2,0,0]=4 5375 B10R0.86 CCCCCC(CC)C(=O)[13CH3] 1458a_100000697129_200025704644 [0,2,0,0,0,0|2,0,0]=4 5376 B10R0.86 CCCCNC(CO)C(=O)O 269956a_100000187304_100000210211 [0,2,0,0,0,0|2,0,0]=4 5377 B10R0.86 CCCCN[C@H](CC)C(=O)O 269956a_100000747097_100000210211 [0,2,0,0,0,0|2,0,0]=4 5378 B10R0.86 CC[C@@H](NCCCF)C(=O)O 269956a_100000747097_100011934791 [0,2,0,0,0,0|2,0,0]=4 5379 B10R0.86 CC[C@@H](NCCCO)C(=O)O 269956a_100000747097_100011215043 [0,2,0,0,0,0|2,0,0]=4 5380 B10R0.86 O=C(O)C(CO)NCCCF 269956a_100000187304_100011934791 [0,2,0,0,0,0|2,0,0]=4 5381 B10R0.86 O=C(O)C(CO)NCCCO 269956a_100000187304_100011215043 [0,2,0,0,0,0|2,0,0]=4 5382 B10R0.27 CCCC(CC)NCC(=O)O 269956a_100016091260_100011219200 [0,2,0,0,0,0|2,0,0]=4 5383 B8R1.8 COC[C@H]1CCCN1 34a_100000745186_200000210301 [1,0,0,1,0,0|2,0,0]=4 5384 B8R1.8 O=CCN1CCCC1 2230a_100000188435_200015260668 [1,0,0,1,0,0|2,0,0]=4 5385 B8R1.8 O=CCN1CCCC1 269982a_100000188435_200015260668 [1,0,0,1,0,0|2,0,0]=4 5386 B8R1.8 [13CH3]OC[C@H]1CCCN1 34a_100000745186_200025704644 [1,0,0,1,0,0|2,0,0]=4 5387 B8R1.9 O=CCN[C@@H]1C[C@@H]1F 2230a_100015190264_200015260668 [1,0,0,1,0,0|2,0,0]=4 5388 B8R1.9 O=CCN[C@@H]1C[C@H]1F 2230a_100025746932_200015260668 [1,0,0,1,0,0|2,0,0]=4 5389 B8R1.9 O=CCN[C@@H]1C[C@H]1F 34a_100025746932_200009817547 [1,0,0,1,0,0|2,0,0]=4 5390 B8R1.10 O=CCNC1CCC1 2230a_100000749019_200015260668 [1,0,0,1,0,0|2,0,0]=4 5391 B8R1.10 O=CCNC1CCC1 34a_100000749019_200009817547 [1,0,0,1,0,0|2,0,0]=4 5392 B8R1.10 O=CCOC1CCC1 34a_100000748187_200009817547 [1,0,0,1,0,0|2,0,0]=4 5393 B8R1.10 O=CCSC1CCC1 62a_200015260668_100000749161 [1,0,0,1,0,0|2,0,0]=4 5394 B8R1.11 CNC1CCCC1=O 2230a_106832991635_100000211823 [1,0,0,1,0,0|2,0,0]=4 5395 B8R1.11 CNC1CCCC1=O 34a_100102657272_100000709159 [1,0,0,1,0,0|2,0,0]=4 5396 B8R1.11 CNC1CCCC1=O 7a_106832991635_100000211823 [1,0,0,1,0,0|2,0,0]=4 5397 B8R1.11 COC1CCCC1=O 34a_100138415774_100000709159 [1,0,0,1,0,0|2,0,0]=4 5398 B8R1.11 COC1CCCC1=O 34a_200000719330_200000210301 [1,0,0,1,0,0|2,0,0]=4 5399 B8R1.11 CO[C@H]1CCC[C@@H]1N 34a_100000748460_200000210301 [1,0,0,1,0,0|2,0,0]=4 5400 B8R1.11 CSC1CCCC1=O 62a_100000211823_200000210301 [1,0,0,1,0,0|2,0,0]=4 5401 B8R1.11 CSC1CCCC1=O 62a_200000210301_100000211823 [1,0,0,1,0,0|2,0,0]=4 5402 B8R1.11 [13CH3]OC1CCCC1=O 34a_200000719330_200025704644 [1,0,0,1,0,0|2,0,0]=4 5403 B8R1.11 [13CH3]O[C@H]1CCC[C@@H]1N 34a_100000748460_200025704644 [1,0,0,1,0,0|2,0,0]=4 5404 B8R1.11 [13CH3]SC1CCCC1=O 62a_100000211823_200025704644 [1,0,0,1,0,0|2,0,0]=4 5405 B8R1.11 [13CH3]SC1CCCC1=O 62a_200025704644_100000211823 [1,0,0,1,0,0|2,0,0]=4 5406 B8R1.13 CC1CCN1CC=O 269982a_100000755817_200015260668 [1,0,0,1,0,0|2,0,0]=4 5407 B8R1.13 CC1CCN1CC=O 34a_100000755817_200009817547 [1,0,0,1,0,0|2,0,0]=4 5408 B8R1.13 CCOC1CCC1=O 34a_100121572206_100009892977 [1,0,0,1,0,0|2,0,0]=4 5409 B8R1.13 CCSC1CCC1=O 62a_100000210202_100009892977 [1,0,0,1,0,0|2,0,0]=4 5410 B8R1.13 CCSC1CCC1=O 62a_100009892977_100000210202 [1,0,0,1,0,0|2,0,0]=4 5411 B8R1.13 O=C1CCC1SCF 62a_100009892977_100015361967 [1,0,0,1,0,0|2,0,0]=4 5412 B8R1.13 O=C1CCC1SCF 62a_100015361967_100009892977 [1,0,0,1,0,0|2,0,0]=4 5413 B8R1.36 NCCOCC1CO1 34a_100000210304_102125554688 [1,0,0,1,0,0|1,0,1]=4 5414 B8R1.36 O=CCNCC1CC1 2230a_100000735609_200015260668 [1,0,0,1,0,0|2,0,0]=4 5415 B8R1.36 O=CCNCC1CC1 34a_100000735609_200009817547 [1,0,0,1,0,0|2,0,0]=4 5416 B8R1.36 O=CCOCC1CC1 34a_100000211283_200009817547 [1,0,0,1,0,0|2,0,0]=4 5417 B8R1.36 O=CCOC[C@@H]1CO1 34a_100000757423_200009817547 [1,0,0,1,0,0|2,0,0]=4 5418 B8R1.36 O=CCSCC1CC1 62a_100000756562_200015260668 [1,0,0,1,0,0|2,0,0]=4 5419 B8R1.36 O=CCSCC1CC1 62a_200015260668_100000742324 [1,0,0,1,0,0|2,0,0]=4 5420 B8R1.36 O=CCSCC1CO1 62a_102125554688_200015260668 [1,0,0,1,0,0|2,0,0]=4 5421 B8R1.36 O=CCSCC1CO1 62a_200015260668_102125554688 [1,0,0,1,0,0|2,0,0]=4 5422 B8R1.36 O=CCSCC1CS1 62a_100000031435_200015260668 [1,0,0,1,0,0|2,0,0]=4 5423 B8R1.36 O=CCSCC1CS1 62a_200015260668_100000031435 [1,0,0,1,0,0|2,0,0]=4 5424 B8R1.36 O=CCSC[C@@H]1CO1 62a_100000745022_200015260668 [1,0,0,1,0,0|2,0,0]=4 5425 B8R1.36 O=CCSC[C@@H]1CO1 62a_200015260668_100000745022 [1,0,0,1,0,0|2,0,0]=4 5426 B8R1.1 CNC1COC(=O)O1 34a_100102657272_100000032252 [1,0,0,1,0,0|2,0,0]=4 5427 B8R1.1 COC1CCC(=O)C1 34a_100012614533_200000210301 [1,0,0,1,0,0|2,0,0]=4 5428 B8R1.1 COC1COC(=O)O1 34a_100138415774_100000032252 [1,0,0,1,0,0|2,0,0]=4 5429 B8R1.1 CSC1COC(=O)O1 62a_200000210301_100000032252 [1,0,0,1,0,0|2,0,0]=4 5430 B8R1.1 [13CH3]OC1CCC(=O)C1 34a_100012614533_200025704644 [1,0,0,1,0,0|2,0,0]=4 5431 B8R1.1 [13CH3]SC1COC(=O)O1 62a_200025704644_100000032252 [1,0,0,1,0,0|2,0,0]=4 5432 B8R1.6 CCSC1CC(=O)C1 62a_100009894365_100000210202 [1,0,0,1,0,0|2,0,0]=4 5433 B8R1.6 CNCC1CC(=O)C1 2230a_106832991635_100009874392 [1,0,0,1,0,0|2,0,0]=4 5434 B8R1.6 CNCC1CC(=O)C1 7a_106832991635_100009874392 [1,0,0,1,0,0|2,0,0]=4 5435 B8R1.6 COCC1CC(=O)C1 34a_100000101936_200000210301 [1,0,0,1,0,0|2,0,0]=4 5436 B8R1.6 CSCC1CC(=O)C1 62a_100009874392_200000210301 [1,0,0,1,0,0|2,0,0]=4 5437 B8R1.6 CSCC1CC(=O)C1 62a_200000210301_100009874392 [1,0,0,1,0,0|2,0,0]=4 5438 B8R1.6 [13CH3]OCC1CC(=O)C1 34a_100000101936_200025704644 [1,0,0,1,0,0|2,0,0]=4 5439 B8R1.6 [13CH3]SCC1CC(=O)C1 62a_100009874392_200025704644 [1,0,0,1,0,0|2,0,0]=4 5440 B8R1.6 [13CH3]SCC1CC(=O)C1 62a_200025704644_100009874392 [1,0,0,1,0,0|2,0,0]=4 5441 B8R1.7 CC(=O)C1CCCC1 1458a_100000070787_100000179811 [1,0,0,1,0,0|1,0,0]=3 5442 B8R1.7 CC(=O)C1CCCC1 1458a_100000210718_200000210301 [1,0,0,1,0,0|1,0,0]=3 5443 B8R1.7 CC(=O)C1CCCS1 1458a_100012002731_200000210301 [1,0,0,1,0,0|2,0,0]=4 5444 B8R1.7 CC(=O)C1CCOC1 1458a_100000070787_100000690089 [1,0,0,1,0,0|2,0,0]=4 5445 B8R1.7 CC(=O)C1CCOC1 1458a_100011219752_200000210301 [1,0,0,1,0,0|2,0,0]=4 5446 B8R1.7 CC(=O)N1CCCC1 240690a_100000188435_100015343762 [1,0,0,1,0,0|2,0,0]=4 5447 B8R1.7 CC(=O)N1CCCC1 527a_100000188435_100103153847 [1,0,0,1,0,0|2,0,0]=4 5448 B8R1.7 CC(=O)[C@@H]1CCCO1 1458a_100000686382_200000210301 [1,0,0,1,0,0|2,0,0]=4 5449 B8R1.7 [13CH3]C(=O)C1CCCC1 1458a_100000210718_200025704644 [1,0,0,1,0,0|1,0,0]=3 5450 B8R1.7 [13CH3]C(=O)C1CCCS1 1458a_100012002731_200025704644 [1,0,0,1,0,0|2,0,0]=4 5451 B8R1.7 [13CH3]C(=O)C1CCOC1 1458a_100011219752_200025704644 [1,0,0,1,0,0|2,0,0]=4 5452 B8R1.7 [13CH3]C(=O)[C@@H]1CCCO1 1458a_100000686382_200025704644 [1,0,0,1,0,0|2,0,0]=4 5453 B8R1.31 CC(=O)N1CCC1C 11a_100000755817_100015343762 [1,0,0,1,0,0|2,0,0]=4 5454 B8R1.31 CC(=O)N1CCC1C 240690a_100000755817_100015343762 [1,0,0,1,0,0|2,0,0]=4 5455 B8R1.31 CC(=O)N1CCC1C 527a_100000755817_100103153847 [1,0,0,1,0,0|2,0,0]=4 5456 B8R1.31 CN1CCC1C(=O)O 269956a_100000021838_200000210301 [1,0,0,1,0,0|1,0,0]=3 5457 B8R1.31 [13CH3]N1CCC1C(=O)O 269956a_100000021838_200025704644 [1,0,0,1,0,0|1,0,0]=3 5458 B8R1.34 CC(=O)CC1CCC1 1458a_100000070787_100000763275 [1,0,0,1,0,0|1,0,0]=3 5459 B8R1.34 CC(=O)CC1CCC1 1458a_100000763092_200000210301 [1,0,0,1,0,0|1,0,0]=3 5460 B8R1.34 CC(=O)CC1CCO1 1458a_100000070787_100000103362 [1,0,0,1,0,0|2,0,0]=4 5461 B8R1.34 CC(=O)CC1COC1 1458a_100000070787_100010264016 [1,0,0,1,0,0|2,0,0]=4 5462 B8R1.34 CC(=O)CC1COC1 1458a_100000687760_200000210301 [1,0,0,1,0,0|2,0,0]=4 5463 B8R1.34 CC(=O)NC1CCC1 11a_100000749019_100015343762 [1,0,0,1,0,0|2,0,0]=4 5464 B8R1.34 CC(=O)NC1CCC1 1626a_100000749019_100015343762 [1,0,0,1,0,0|2,0,0]=4 5465 B8R1.34 CC(=O)NC1CCC1 240690a_100000749019_100015343762 [1,0,0,1,0,0|2,0,0]=4 5466 B8R1.34 CC(=O)NC1CCC1 527a_100000749019_100103153847 [1,0,0,1,0,0|2,0,0]=4 5467 B8R1.34 NC(=O)CN1CCC1 269982a_100000754969_100000187820 [1,0,0,1,0,0|2,0,0]=4 5468 B8R1.34 O=C([O-])CN1CCC1 269982a_100000754969_100020667443 [1,0,0,1,0,0|1,0,1]=4 5469 B8R1.34 [13CH3]C(=O)CC1CCC1 1458a_100000763092_200025704644 [1,0,0,1,0,0|1,0,0]=3 5470 B8R1.34 [13CH3]C(=O)CC1COC1 1458a_100000687760_200025704644 [1,0,0,1,0,0|2,0,0]=4 5471 B8R1.35 CC(=O)CCC1CC1 1458a_100000070787_100000694398 [1,0,0,1,0,0|1,0,0]=3 5472 B8R1.35 CC(=O)CCC1CC1 1458a_100000756386_200000210301 [1,0,0,1,0,0|1,0,0]=3 5473 B8R1.35 CC(=O)CCC1CO1 1458a_100000070787_100000732470 [1,0,0,1,0,0|2,0,0]=4 5474 B8R1.35 CC(=O)COC1CC1 34a_100000211253_100000211595 [1,0,0,1,0,0|2,0,0]=4 5475 B8R1.35 CC(=O)NCC1CC1 11a_100000735609_100015343762 [1,0,0,1,0,0|2,0,0]=4 5476 B8R1.35 CC(=O)NCC1CC1 1626a_100000735609_100015343762 [1,0,0,1,0,0|2,0,0]=4 5477 B8R1.35 CC(=O)NCC1CC1 240690a_100000735609_100015343762 [1,0,0,1,0,0|2,0,0]=4 5478 B8R1.35 CC(=O)NCC1CC1 527a_100000735609_100103153847 [1,0,0,1,0,0|2,0,0]=4 5479 B8R1.35 NC(=O)CNC1CC1 34a_100000212008_100000187820 [1,0,0,1,0,0|2,0,0]=4 5480 B8R1.35 NC(=O)CSC1CC1 62a_100000747473_100000211595 [1,0,0,1,0,0|2,0,0]=4 5481 B8R1.35 O=C(O)CNC1CC1 269956a_100016091260_100000211595 [1,0,0,1,0,0|1,0,0]=3 5482 B8R1.35 O=C([O-])CNC1CC1 34a_100000212008_100020667443 [1,0,0,1,0,0|1,0,1]=4 5483 B8R1.35 O=C([O-])CSC1CC1 62a_100020667443_100000211595 [1,0,0,1,0,0|1,0,1]=4 5484 B8R1.35 [13CH3]C(=O)CCC1CC1 1458a_100000756386_200025704644 [1,0,0,1,0,0|1,0,0]=3 5485 B8R1.43 CCC1CC1C(=O)C 1458a_200011661523_200000210301 [1,0,0,1,0,0|1,0,0]=3 5486 B8R1.43 CCC1CC1C(=O)[13CH3] 1458a_200011661523_200025704644 [1,0,0,1,0,0|1,0,0]=3 5487 B10R1.13 CC(=O)C1CCC(CC1)C 1458a_100000070787_200011216234 [0,1,0,1,0,0|2,0,0]=4 5488 B10R1.13 CC(=O)C1CCC(CC1)O 1458a_100000743365_200000210301 [0,1,0,1,0,0|2,0,0]=4 5489 B10R1.13 CC(=O)[C@H]1CC[C@@H](CC1)C 1458a_100009815934_200000210301 [0,1,0,1,0,0|2,0,0]=4 5490 B10R1.13 CN1CCC(CC1)C(=O)O 269956a_100000210459_200000210301 [0,1,0,1,0,0|2,0,0]=4 5491 B10R1.13 C[C@H]1CC[C@@H](CC1)C(=O)[13CH3] 1458a_100009815934_200025704644 [0,1,0,1,0,0|2,0,0]=4 5492 B10R1.13 [13CH3]C(=O)C1CCC(CC1)O 1458a_100000743365_200025704644 [0,1,0,1,0,0|2,0,0]=4 5493 B10R1.13 [13CH3]N1CCC(CC1)C(=O)O 269956a_100000210459_200025704644 [0,1,0,1,0,0|2,0,0]=4 5494 B10R1.14 CCC(=O)[C@@H]1CCC(=O)O1 1458a_100009814974_100000210202 [0,1,0,1,0,0|1,0,1]=4 5495 B10R1.14 O=C1CC[C@H](O1)C(=O)CF 1458a_100009814974_100015361967 [0,1,0,1,0,0|1,0,1]=4 5496 B10R1.31 CN[C@H]1CC[C@H](C1)C(=O)O 269956a_100015195206_200000210301 [0,1,0,1,0,0|2,0,0]=4 5497 B10R1.31 [13CH3]N[C@H]1CC[C@H](C1)C(=O)O 269956a_100015195206_200025704644 [0,1,0,1,0,0|2,0,0]=4 5498 B10R1.54 CC(=O)CC1CCC(=O)N1 1458a_100000026770_200000210301 [0,1,0,1,0,0|1,0,1]=4 5499 B10R1.54 CC(=O)C[C@@H]1CCC(=O)N1 1458a_100000070787_100015189358 [0,1,0,1,0,0|1,0,1]=4 5500 B10R1.54 CN1CCC(C1)CC(=O)O 269956a_100000719201_200000210301 [0,1,0,1,0,0|2,0,0]=4 5501 B10R1.54 [13CH3]C(=O)CC1CCC(=O)N1 1458a_100000026770_200025704644 [0,1,0,1,0,0|1,0,1]=4 5502 B10R1.54 [13CH3]N1CCC(C1)CC(=O)O 269956a_100000719201_200025704644 [0,1,0,1,0,0|2,0,0]=4 5503 B10R1.73 CC1CC1COCC(=O)N 34a_100000744939_100000187820 [0,1,0,1,0,0|2,0,0]=4 5504 B10R1.73 CC1CC1COCC(=O)N 7a_100000744939_100000187820 [0,1,0,1,0,0|2,0,0]=4 5505 B10R1.73 CC1CC1COCC(=O)[O-] 34a_100000744939_100020667443 [0,1,0,1,0,0|1,0,1]=4 5506 B10R1.73 NC(=O)CCN[C@@H]1C[C@@H]1F 2230a_100015190264_100000744528 [0,1,0,1,0,0|2,0,0]=4 5507 B10R1.73 NC(=O)CCN[C@@H]1C[C@H]1F 2230a_100025746932_100000744528 [0,1,0,1,0,0|2,0,0]=4 5508 B10R1.73 NC(=O)CCN[C@@H]1C[C@H]1F 34a_100025746932_100000731001 [0,1,0,1,0,0|2,0,0]=4 5509 B10R1.117 CC(=O)CCC1CCC1=O 1458a_100000070787_200016118888 [0,1,0,1,0,0|2,0,0]=4 5510 B10R1.117 CC(=O)CCN1CCC1C 269982a_100000755817_100000053229 [0,1,0,1,0,0|2,0,0]=4 5511 B10R1.117 CC1CCN1CCC(=O)N 269982a_100000755817_100000744528 [0,1,0,1,0,0|2,0,0]=4 5512 B10R1.117 CC1CCN1CCC(=O)N 34a_100000755817_100000731001 [0,1,0,1,0,0|2,0,0]=4 5513 B10R1.117 O=C(O)CNC1CCC1=O 269956a_100016091260_100009892977 [0,1,0,1,0,0|1,0,1]=4 5514 B10R1.127 CC(=O)CCCN1CCC1 269982a_100000754969_100011215641 [0,1,0,1,0,0|2,0,0]=4 5515 B10R1.127 CC(=O)CCOC1CCC1 34a_100000759926_100000749161 [0,1,0,1,0,0|2,0,0]=4 5516 B10R1.127 CC(=O)CCSC1CCC1 62a_100000053229_100000749161 [0,1,0,1,0,0|2,0,0]=4 5517 B10R1.127 CC(=O)COCC1CCC1 34a_100000211253_100000763275 [0,1,0,1,0,0|2,0,0]=4 5518 B10R1.127 CC(=O)COCC1CCO1 34a_100000211253_100000103362 [0,1,0,1,0,0|2,0,0]=4 5519 B10R1.127 NC(=O)CCCN1CCC1 269982a_100000754969_100102525003 [0,1,0,1,0,0|2,0,0]=4 5520 B10R1.127 NC(=O)CCNC1CCC1 2230a_100000749019_100000744528 [0,1,0,1,0,0|2,0,0]=4 5521 B10R1.127 NC(=O)CCNC1CCC1 34a_100000749019_100000731001 [0,1,0,1,0,0|2,0,0]=4 5522 B10R1.127 NC(=O)CCOC1CCC1 34a_100000748187_100000731001 [0,1,0,1,0,0|2,0,0]=4 5523 B10R1.127 NC(=O)CCOC1CCC1 34a_100000757172_100000749161 [0,1,0,1,0,0|2,0,0]=4 5524 B10R1.127 NC(=O)CCSC1CCC1 62a_100000744528_100000749161 [0,1,0,1,0,0|2,0,0]=4 5525 B10R1.127 NC(=O)CNCC1CCC1 2230a_100000711301_100000763275 [0,1,0,1,0,0|2,0,0]=4 5526 B10R1.127 NC(=O)CNCC1CCC1 2230a_100000738700_100000747473 [0,1,0,1,0,0|2,0,0]=4 5527 B10R1.127 NC(=O)CNCC1CCC1 34a_100000738700_100000187820 [0,1,0,1,0,0|2,0,0]=4 5528 B10R1.127 NC(=O)CNCC1CCO1 2230a_100000711301_100000103362 [0,1,0,1,0,0|2,0,0]=4 5529 B10R1.127 NC(=O)CNC[C@@H]1CCO1 2230a_100020831831_100000747473 [0,1,0,1,0,0|2,0,0]=4 5530 B10R1.127 NC(=O)CNC[C@@H]1CCO1 34a_100020831831_100000187820 [0,1,0,1,0,0|2,0,0]=4 5531 B10R1.127 NC(=O)COCC1CCC1 34a_100000760304_100000187820 [0,1,0,1,0,0|2,0,0]=4 5532 B10R1.127 NC(=O)COCC1CCO1 34a_100000039022_100000187820 [0,1,0,1,0,0|2,0,0]=4 5533 B10R1.127 NC(=O)COCC1CNC1 34a_100016987283_100000187820 [0,1,0,1,0,0|2,0,0]=4 5534 B10R1.127 NC(=O)CSCC1CCC1 62a_100000747473_100000763275 [0,1,0,1,0,0|2,0,0]=4 5535 B10R1.127 NC(=O)CSCC1CCC1 62a_100000763275_100000747473 [0,1,0,1,0,0|2,0,0]=4 5536 B10R1.127 NC(=O)CSCC1CCO1 62a_100000103362_100000747473 [0,1,0,1,0,0|2,0,0]=4 5537 B10R1.127 NC(=O)CSCC1CCO1 62a_100000747473_100000103362 [0,1,0,1,0,0|2,0,0]=4 5538 B10R1.127 O=C(O)CNCC1CCC1 269956a_100016091260_100000763275 [0,1,0,1,0,0|1,0,0]=3 5539 B10R1.127 O=C(O)CNCC1CCO1 269956a_100016091260_100000103362 [0,1,0,1,0,0|1,0,0]=3 5540 B10R1.127 O=C(O)CNCC1COC1 269956a_100016091260_100010264016 [0,1,0,1,0,0|2,0,0]=4 5541 B10R1.127 O=C(O)CONC1CCC1 269956a_100000106656_100000749161 [0,1,0,1,0,0|2,0,0]=4 5542 B10R1.127 O=C([O-])CNCC1CCC1 34a_100000738700_100020667443 [0,1,0,1,0,0|1,0,1]=4 5543 B10R1.127 O=C([O-])CNC[C@@H]1CCO1 34a_100020831831_100020667443 [0,1,0,1,0,0|1,0,1]=4 5544 B10R1.127 O=C([O-])COCC1CCC1 34a_100000760304_100020667443 [0,1,0,1,0,0|1,0,1]=4 5545 B10R1.127 O=C([O-])COCC1CCO1 34a_100000039022_100020667443 [0,1,0,1,0,0|1,0,1]=4 5546 B10R1.127 O=C([O-])COCC1CNC1 34a_100016987283_100020667443 [0,1,0,1,0,0|1,0,1]=4 5547 B10R1.127 O=C([O-])CSCC1CCC1 62a_100000763275_100020667443 [0,1,0,1,0,0|1,0,1]=4 5548 B10R1.127 O=C([O-])CSCC1CCC1 62a_100020667443_100000763275 [0,1,0,1,0,0|1,0,1]=4 5549 B10R1.127 O=C([O-])CSCC1CCO1 62a_100000103362_100020667443 [0,1,0,1,0,0|1,0,1]=4 5550 B10R1.127 O=C([O-])CSCC1CCO1 62a_100020667443_100000103362 [0,1,0,1,0,0|1,0,1]=4 5551 B10R1.153 C#CC(=O)CCCC1CO1 1458a_100000211873_100000733510 [0,1,0,1,0,0|2,0,0]=4 5552 B10R1.153 C=CC(=O)CCCC1CO1 1458a_100000185746_100000733510 [0,1,0,1,0,0|2,0,0]=4 5553 B10R1.153 CCC(=O)CCCC1CO1 1458a_100000210414_100000733510 [0,1,0,1,0,0|2,0,0]=4 5554 B10R1.153 COC(=O)CCNC1CC1 34a_100000212008_100000742370 [0,1,0,1,0,0|2,0,0]=4 5555 B10R1.153 COC(=O)CCSC1CC1 62a_100000204255_100000211595 [0,1,0,1,0,0|2,0,0]=4 5556 B10R1.153 COC(=O)CNCC1CC1 2230a_100000735609_100000747449 [0,1,0,1,0,0|2,0,0]=4 5557 B10R1.153 COC(=O)CNCC1CC1 34a_100000735609_100000747449 [0,1,0,1,0,0|2,0,0]=4 5558 B10R1.153 COC(=O)COCC1CC1 34a_100000211283_100000747449 [0,1,0,1,0,0|2,0,0]=4 5559 B10R1.153 COC(=O)COC[C@@H]1CO1 34a_100000757423_100000747449 [0,1,0,1,0,0|2,0,0]=4 5560 B10R1.153 COC(=O)CSCC1CC1 62a_100000747449_100000742324 [0,1,0,1,0,0|2,0,0]=4 5561 B10R1.153 COC(=O)CSCC1CC1 62a_100000756562_100000747449 [0,1,0,1,0,0|2,0,0]=4 5562 B10R1.153 COC(=O)CSCC1CO1 62a_100000747449_102125554688 [0,1,0,1,0,0|2,0,0]=4 5563 B10R1.153 COC(=O)CSCC1CO1 62a_102125554688_100000747449 [0,1,0,1,0,0|2,0,0]=4 5564 B10R1.153 COC(=O)CSCC1CS1 62a_100000031435_100000747449 [0,1,0,1,0,0|2,0,0]=4 5565 B10R1.153 COC(=O)CSCC1CS1 62a_100000747449_100000031435 [0,1,0,1,0,0|2,0,0]=4 5566 B10R1.153 COC(=O)CSC[C@@H]1CO1 62a_100000745022_100000747449 [0,1,0,1,0,0|2,0,0]=4 5567 B10R1.153 COC(=O)CSC[C@@H]1CO1 62a_100000747449_100000745022 [0,1,0,1,0,0|2,0,0]=4 5568 B10R1.153 O=C(CO)CCCC1CO1 1458a_100000210174_100000733510 [0,1,0,1,0,0|1,0,0]=3 5569 B10R1.153 O=C(CO)NCCC1CC1 240690a_100000764129_100000210174 [0,1,0,1,0,0|2,0,0]=4 5570 B10R1.153 O=C(CO)NCCC1CC1 527a_100000764129_100000210174 [0,1,0,1,0,0|2,0,0]=4 5571 B10R1.168 CCN1CC(C1)CC(=O)O 269956a_100016993960_100000210202 [0,1,0,1,0,0|2,0,0]=4 5572 B10R1.168 O=C(O)CC1CN(C1)CF 269956a_100016993960_100015361967 [0,1,0,1,0,0|2,0,0]=4 5573 B10R1.206 COC(=O)CN[C@@H]1C[C@@H]1F 2230a_100015190264_100000747449 [0,1,0,1,0,0|2,0,0]=4 5574 B10R1.206 COC(=O)CN[C@@H]1C[C@H]1F 2230a_100025746932_100000747449 [0,1,0,1,0,0|2,0,0]=4 5575 B10R1.206 COC(=O)CN[C@@H]1C[C@H]1F 34a_100025746932_100000747449 [0,1,0,1,0,0|2,0,0]=4 5576 B10R1.350 CC1(CO1)CNCC(=O)O 269956a_100016091260_100000760498 [0,1,0,1,0,0|2,0,0]=4 5577 B10R1.10 CCOC1CCCC(=O)C1 34a_100012613340_100000210202 [0,1,0,1,0,0|2,0,0]=4 5578 B10R1.10 CNCC1CCCC(C1)O 2230a_100011254705_200000210301 [0,1,0,1,0,0|1,0,1]=4 5579 B10R1.10 COCC1CCCC(=O)N1 34a_200000102386_200000210301 [0,1,0,1,0,0|2,0,0]=4 5580 B10R1.10 O=C1CCCC(C1)OCF 34a_100012613340_100015361967 [0,1,0,1,0,0|2,0,0]=4 5581 B10R1.10 [13CH3]NCC1CCCC(C1)O 2230a_100011254705_200025704644 [0,1,0,1,0,0|1,0,1]=4 5582 B10R1.10 [13CH3]OCC1CCCC(=O)N1 34a_200000102386_200025704644 [0,1,0,1,0,0|2,0,0]=4 5583 B10R1.16 CCCOC1CCC(=O)C1 34a_100012614533_100000210303 [0,1,0,1,0,0|2,0,0]=4 5584 B10R1.16 CCCOC1COC(=O)O1 34a_100000210258_100000032252 [0,1,0,1,0,0|2,0,0]=4 5585 B10R1.16 CCCSC1COC(=O)O1 62a_100000210303_100000032252 [0,1,0,1,0,0|2,0,0]=4 5586 B10R1.16 CCNCC1CNC(=O)O1 2230a_100015525214_100000181169 [0,1,0,1,0,0|2,0,0]=4 5587 B10R1.16 CCNC[C@@H]1CCC(=O)N1 2230a_100015525214_100015189358 [0,1,0,1,0,0|2,0,0]=4 5588 B10R1.16 CCNC[C@H]1CCC(=O)N1 2230a_100015423886_100000210202 [0,1,0,1,0,0|2,0,0]=4 5589 B10R1.16 CCNC[C@H]1CCC(=O)N1 34a_100015423886_100000210202 [0,1,0,1,0,0|2,0,0]=4 5590 B10R1.16 CCOCC1CCC(=O)N1 34a_100000737831_100000210202 [0,1,0,1,0,0|2,0,0]=4 5591 B10R1.16 CCOCC1CNC(=O)O1 34a_100011315639_100000210202 [0,1,0,1,0,0|2,0,0]=4 5592 B10R1.16 CCOCC1CNC(=O)O1 34a_100121572206_100000181169 [0,1,0,1,0,0|2,0,0]=4 5593 B10R1.16 CCOCC1COC(=O)O1 34a_100121572206_100000073702 [0,1,0,1,0,0|2,0,0]=4 5594 B10R1.16 CCSCC1CNC(=O)O1 62a_100000181169_100000210202 [0,1,0,1,0,0|2,0,0]=4 5595 B10R1.16 CCSCC1CNC(=O)O1 62a_100000210202_100000181169 [0,1,0,1,0,0|2,0,0]=4 5596 B10R1.16 CCSCC1COC(=O)O1 62a_100000073702_100000210202 [0,1,0,1,0,0|2,0,0]=4 5597 B10R1.16 CCSCC1COC(=O)O1 62a_100000210202_100000073702 [0,1,0,1,0,0|2,0,0]=4 5598 B10R1.16 CCSC[C@@H]1CCC(=O)N1 62a_100000210202_100015189358 [0,1,0,1,0,0|2,0,0]=4 5599 B10R1.16 CCSC[C@@H]1CCC(=O)N1 62a_100015189358_100000210202 [0,1,0,1,0,0|2,0,0]=4 5600 B10R1.16 CNCCC1COS(=O)O1 7a_106832991635_100009840081 [0,1,0,1,0,0|2,0,0]=4 5601 B10R1.16 NCCOC1COC(=O)O1 34a_100000210304_100000032252 [0,1,0,1,0,0|1,0,0]=3 5602 B10R1.16 O=C1CCC(C1)OCCF 34a_100012614533_100011217306 [0,1,0,1,0,0|2,0,0]=4 5603 B10R1.16 O=C1CCC(C1)OCCO 34a_100012614533_100000211926 [0,1,0,1,0,0|2,0,0]=4 5604 B10R1.16 O=C1CCC(N1)COCF 34a_100000737831_100015361967 [0,1,0,1,0,0|2,0,0]=4 5605 B10R1.16 O=C1CC[C@@H](N1)CNCF 34a_100015423886_100015361967 [0,1,0,1,0,0|2,0,0]=4 5606 B10R1.16 O=C1CC[C@H](N1)CSCF 62a_100015189358_100015361967 [0,1,0,1,0,0|2,0,0]=4 5607 B10R1.16 O=C1CC[C@H](N1)CSCF 62a_100015361967_100015189358 [0,1,0,1,0,0|2,0,0]=4 5608 B10R1.16 O=C1NCC(O1)COCF 34a_100011315639_100015361967 [0,1,0,1,0,0|2,0,0]=4 5609 B10R1.16 O=C1NCC(O1)CSCF 62a_100000181169_100015361967 [0,1,0,1,0,0|2,0,0]=4 5610 B10R1.16 O=C1NCC(O1)CSCF 62a_100015361967_100000181169 [0,1,0,1,0,0|2,0,0]=4 5611 B10R1.16 O=C1OCC(O1)CSCF 62a_100000073702_100015361967 [0,1,0,1,0,0|2,0,0]=4 5612 B10R1.16 O=C1OCC(O1)CSCF 62a_100015361967_100000073702 [0,1,0,1,0,0|2,0,0]=4 5613 B10R1.16 O=C1OCC(O1)NCCF 34a_100000724931_100000032252 [0,1,0,1,0,0|2,0,0]=4 5614 B10R1.16 O=C1OCC(O1)NCCO 34a_100016990907_100000032252 [0,1,0,1,0,0|2,0,0]=4 5615 B10R1.16 O=C1OCC(O1)OCCBr 34a_100000211926_100000032252 [0,1,0,1,0,0|2,0,0]=4 5616 B10R1.16 O=C1OCC(O1)SCCF 62a_100011217306_100000032252 [0,1,0,1,0,0|2,0,0]=4 5617 B10R1.16 O=C1OCC(O1)SCCO 62a_100000211926_100000032252 [0,1,0,1,0,0|2,0,0]=4 5618 B10R1.18 CC(=O)CC1=CCCCC1 1458a_100000039269_200000210301 [0,1,0,1,0,0|2,0,0]=4 5619 B10R1.18 CC(=O)CC1CCCCC1 1458a_100000070787_100000211423 [0,1,0,1,0,0|2,0,0]=4 5620 B10R1.18 CC(=O)CC1CCCCC1 1458a_100000211666_200000210301 [0,1,0,1,0,0|2,0,0]=4 5621 B10R1.18 CC(=O)CC1CCCCO1 1458a_100000070787_100000211543 [0,1,0,1,0,0|2,0,0]=4 5622 B10R1.18 CC(=O)CC1CCCCO1 1458a_100000238585_200000210301 [0,1,0,1,0,0|2,0,0]=4 5623 B10R1.18 CC(=O)CC1CCCOC1 1458a_100000070787_100000741521 [0,1,0,1,0,0|2,0,0]=4 5624 B10R1.18 CC(=O)CC1CCCOC1 1458a_100000741523_200000210301 [0,1,0,1,0,0|2,0,0]=4 5625 B10R1.18 CC(=O)CC1CCOCC1 1458a_100000070787_100000754603 [0,1,0,1,0,0|2,0,0]=4 5626 B10R1.18 CC(=O)CC1CCOCC1 1458a_100000757261_200000210301 [0,1,0,1,0,0|2,0,0]=4 5627 B10R1.18 CC(=O)CN1CCCCC1 1458a_100000740322_200000210301 [0,1,0,1,0,0|2,0,0]=4 5628 B10R1.18 CC(=O)NC1CCCCC1 11a_100000182618_100015343762 [0,1,0,1,0,0|2,0,0]=4 5629 B10R1.18 CC(=O)NC1CCCCC1 1626a_100000182618_100015343762 [0,1,0,1,0,0|2,0,0]=4 5630 B10R1.18 CC(=O)NC1CCCCC1 240690a_100000182618_100015343762 [0,1,0,1,0,0|2,0,0]=4 5631 B10R1.18 CC(=O)NC1CCCCC1 527a_100000182618_100103153847 [0,1,0,1,0,0|2,0,0]=4 5632 B10R1.18 [13CH3]C(=O)CC1=CCCCC1 1458a_100000039269_200025704644 [0,1,0,1,0,0|2,0,0]=4 5633 B10R1.18 [13CH3]C(=O)CC1CCCCC1 1458a_100000211666_200025704644 [0,1,0,1,0,0|2,0,0]=4 5634 B10R1.18 [13CH3]C(=O)CC1CCCCO1 1458a_100000238585_200025704644 [0,1,0,1,0,0|2,0,0]=4 5635 B10R1.18 [13CH3]C(=O)CC1CCCOC1 1458a_100000741523_200025704644 [0,1,0,1,0,0|2,0,0]=4 5636 B10R1.18 [13CH3]C(=O)CC1CCOCC1 1458a_100000757261_200025704644 [0,1,0,1,0,0|2,0,0]=4 5637 B10R1.18 [13CH3]C(=O)CN1CCCCC1 1458a_100000740322_200025704644 [0,1,0,1,0,0|2,0,0]=4 5638 B10R1.24 CCCCSC1CC(=O)C1 62a_100009894365_100000210210 [0,1,0,1,0,0|2,0,0]=4 5639 B10R1.24 CCCOCC1CC(=O)C1 34a_100000101936_100000210303 [0,1,0,1,0,0|2,0,0]=4 5640 B10R1.24 CCCSCC1CC(=O)C1 62a_100000210303_100009874392 [0,1,0,1,0,0|2,0,0]=4 5641 B10R1.24 CCCSCC1CC(=O)C1 62a_100009874392_100000210303 [0,1,0,1,0,0|2,0,0]=4 5642 B10R1.24 O=C1CC(C1)CNCCO 2230a_100016997473_100009874392 [0,1,0,1,0,0|2,0,0]=4 5643 B10R1.24 O=C1CC(C1)COCCF 34a_100000101936_100011217306 [0,1,0,1,0,0|2,0,0]=4 5644 B10R1.24 O=C1CC(C1)COCCO 34a_100000101936_100000211926 [0,1,0,1,0,0|2,0,0]=4 5645 B10R1.24 O=C1CC(C1)CSCCF 62a_100009874392_100011217306 [0,1,0,1,0,0|2,0,0]=4 5646 B10R1.24 O=C1CC(C1)CSCCF 62a_100011217306_100009874392 [0,1,0,1,0,0|2,0,0]=4 5647 B10R1.24 O=C1CC(C1)CSCCO 62a_100000211926_100009874392 [0,1,0,1,0,0|2,0,0]=4 5648 B10R1.24 O=C1CC(C1)CSCCO 62a_100009874392_100000211926 [0,1,0,1,0,0|2,0,0]=4 5649 B10R1.24 O=C1CC(C1)SCCCF 62a_100009894365_100011934791 [0,1,0,1,0,0|2,0,0]=4 5650 B10R1.24 O=C1CC(C1)SCCCO 62a_100009894365_100011215043 [0,1,0,1,0,0|2,0,0]=4 5651 B10R1.39 CC(=O)N1CCC[C@@H]1CO 240690a_100000745186_100015343762 [0,1,0,1,0,0|2,0,0]=4 5652 B10R1.39 CC(=O)N1CCC[C@@H]1CO 527a_100000745186_100103153847 [0,1,0,1,0,0|2,0,0]=4 5653 B10R1.39 CCC1CCCN1C(=O)C 11a_100000754278_100015343762 [0,1,0,1,0,0|2,0,0]=4 5654 B10R1.39 CCC1CCCN1C(=O)C 1626a_100000754278_100015343762 [0,1,0,1,0,0|2,0,0]=4 5655 B10R1.39 CCC1CCCN1C(=O)C 240690a_100000754278_100015343762 [0,1,0,1,0,0|2,0,0]=4 5656 B10R1.39 CCC1CCCN1C(=O)C 527a_100000754278_100103153847 [0,1,0,1,0,0|2,0,0]=4 5657 B10R1.39 CCN1CCCC1C(=O)C 1458a_106256033941_200000210301 [0,1,0,1,0,0|2,0,0]=4 5658 B10R1.39 CCN1CCCC1C(=O)[13CH3] 1458a_106256033941_200025704644 [0,1,0,1,0,0|2,0,0]=4 5659 B10R1.39 CCN1CCC[C@H]1C(=O)N 2230a_100000003125_100000210202 [0,1,0,1,0,0|2,0,0]=4 5660 B10R1.39 CCN1CCC[C@H]1C(=O)O 269956a_100000743916_100000210202 [0,1,0,1,0,0|1,0,0]=3 5661 B10R1.39 CCN1CCSC1C(=O)O 269956a_100000035718_100000210202 [0,1,0,1,0,0|2,0,0]=4 5662 B10R1.39 CCN1CSC[C@H]1C(=O)O 269956a_100000743924_100000210202 [0,1,0,1,0,0|2,0,0]=4 5663 B10R1.39 O=C(O)C1SCCN1CF 269956a_100000035718_100015361967 [0,1,0,1,0,0|2,0,0]=4 5664 B10R1.39 O=C(O)[C@@H]1CCCN1CF 269956a_100000743916_100015361967 [0,1,0,1,0,0|1,0,0]=3 5665 B10R1.39 O=C(O)[C@@H]1CSCN1CF 269956a_100000743924_100015361967 [0,1,0,1,0,0|2,0,0]=4 5666 B10R1.61 CC(=O)C1CCCCC1=O 1458a_100000070787_100000204591 [0,1,0,1,0,0|2,0,0]=4 5667 B10R1.61 CC(=O)C1CCCCC1C 1458a_100011215568_200000210301 [0,1,0,1,0,0|2,0,0]=4 5668 B10R1.61 CC(=O)C1CCCCC1O 1458a_100011803323_200000210301 [0,1,0,1,0,0|2,0,0]=4 5669 B10R1.61 CC(=O)N1CCCCC1C 11a_100000211376_100015343762 [0,1,0,1,0,0|2,0,0]=4 5670 B10R1.61 CC(=O)N1CCCCC1C 1626a_100000211376_100015343762 [0,1,0,1,0,0|2,0,0]=4 5671 B10R1.61 CC(=O)N1CCCCC1C 240690a_100000211376_100015343762 [0,1,0,1,0,0|2,0,0]=4 5672 B10R1.61 CC(=O)N1CCCCC1C 527a_100000211376_100103153847 [0,1,0,1,0,0|2,0,0]=4 5673 B10R1.61 CC(=O)[C@H]1CCCCN1C 1458a_100000767060_200000210301 [0,1,0,1,0,0|1,0,0]=3 5674 B10R1.61 CC1CCCCC1C(=O)[13CH3] 1458a_100011215568_200025704644 [0,1,0,1,0,0|2,0,0]=4 5675 B10R1.61 CN1CCCCC1C(=O)N 2230a_100000181395_200000210301 [0,1,0,1,0,0|1,0,0]=3 5676 B10R1.61 CN1CCCCC1C(=O)N 269982a_100000181395_200000210301 [0,1,0,1,0,0|1,0,0]=3 5677 B10R1.61 CN1CCCCC1C(=O)N 34a_100000181395_200000210301 [0,1,0,1,0,0|1,0,0]=3 5678 B10R1.61 CN1CCCC[C@@H]1C(=O)O 269956a_100000763471_200000210301 [0,1,0,1,0,0|0,0,0]=2 5679 B10R1.61 CN1CCCC[C@@H]1C(=O)[13CH3] 1458a_100000767060_200025704644 [0,1,0,1,0,0|1,0,0]=3 5680 B10R1.61 CN1CCOC[C@@H]1C(=O)O 269956a_100016993156_200000210301 [0,1,0,1,0,0|1,0,0]=3 5681 B10R1.61 CN1CCSCC1C(=O)O 269956a_100011346106_200000210301 [0,1,0,1,0,0|1,0,0]=3 5682 B10R1.61 CN1CSCCC1C(=O)O 269956a_100015185162_200000210301 [0,1,0,1,0,0|1,0,0]=3 5683 B10R1.61 [13CH3]C(=O)C1CCCCC1O 1458a_100011803323_200025704644 [0,1,0,1,0,0|2,0,0]=4 5684 B10R1.61 [13CH3]N1CCCCC1C(=O)N 2230a_100000181395_200025704644 [0,1,0,1,0,0|1,0,0]=3 5685 B10R1.61 [13CH3]N1CCCCC1C(=O)N 269982a_100000181395_200025704644 [0,1,0,1,0,0|1,0,0]=3 5686 B10R1.61 [13CH3]N1CCCCC1C(=O)N 34a_100000181395_200025704644 [0,1,0,1,0,0|1,0,0]=3 5687 B10R1.61 [13CH3]N1CCCC[C@@H]1C(=O)O 269956a_100000763471_200025704644 [0,1,0,1,0,0|0,0,0]=2 5688 B10R1.61 [13CH3]N1CCOC[C@@H]1C(=O)O 269956a_100016993156_200025704644 [0,1,0,1,0,0|1,0,0]=3 5689 B10R1.61 [13CH3]N1CCSCC1C(=O)O 269956a_100011346106_200025704644 [0,1,0,1,0,0|1,0,0]=3 5690 B10R1.61 [13CH3]N1CSCCC1C(=O)O 269956a_100015185162_200025704644 [0,1,0,1,0,0|1,0,0]=3 5691 B10R1.64 CC(=O)N[C@H]1CCC[C@@H]1O 11a_100000748460_100015343762 [0,1,0,1,0,0|2,0,0]=4 5692 B10R1.64 CC(=O)N[C@H]1CCC[C@@H]1O 240690a_100000748460_100015343762 [0,1,0,1,0,0|2,0,0]=4 5693 B10R1.64 C[C@@H]1CCCN1CC(=O)N 2230a_100015189458_100000747473 [0,1,0,1,0,0|2,0,0]=4 5694 B10R1.64 C[C@@H]1CCCN1CC(=O)N 269982a_100015189458_100000187820 [0,1,0,1,0,0|2,0,0]=4 5695 B10R1.64 C[C@@H]1CCCN1CC(=O)N 34a_100015189458_100000187820 [0,1,0,1,0,0|2,0,0]=4 5696 B10R1.64 C[C@@H]1CCCN1CC(=O)[O-] 269982a_100015189458_100020667443 [0,1,0,1,0,0|1,0,1]=4 5697 B10R1.64 C[C@@H]1CCCN1CC(=O)[O-] 34a_100015189458_100020667443 [0,1,0,1,0,0|1,0,1]=4 5698 B10R1.64 C[C@H]1CCCN1CC(=O)N 2230a_100020605311_100000747473 [0,1,0,1,0,0|2,0,0]=4 5699 B10R1.64 C[C@H]1CCCN1CC(=O)N 269982a_100020605311_100000187820 [0,1,0,1,0,0|2,0,0]=4 5700 B10R1.64 C[C@H]1CCCN1CC(=O)[O-] 269982a_100020605311_100020667443 [0,1,0,1,0,0|1,0,1]=4 5701 B10R1.66 CC(=O)CCC1CCCC1 1458a_100000070787_100000760354 [0,1,0,1,0,0|2,0,0]=4 5702 B10R1.66 CC(=O)CCC1CCCC1 1458a_100000211120_200000210301 [0,1,0,1,0,0|2,0,0]=4 5703 B10R1.66 CC(=O)CCC1CCCO1 1458a_100011247709_200000210301 [0,1,0,1,0,0|2,0,0]=4 5704 B10R1.66 CC(=O)CCC1OCCO1 1458a_100000070787_100000740749 [0,1,0,1,0,0|2,0,0]=4 5705 B10R1.66 CC(=O)CCC1OCCO1 1458a_100000082924_200000210301 [0,1,0,1,0,0|2,0,0]=4 5706 B10R1.66 CC(=O)CCN1CCCC1 1458a_100000070787_100000004467 [0,1,0,1,0,0|2,0,0]=4 5707 B10R1.66 CC(=O)CCN1CCCC1 1458a_100000738983_200000210301 [0,1,0,1,0,0|2,0,0]=4 5708 B10R1.66 CC(=O)CCN1CCCC1 269982a_100000188435_100000053229 [0,1,0,1,0,0|2,0,0]=4 5709 B10R1.66 CC(=O)CCN1CCCO1 1458a_200015187630_200000210301 [0,1,0,1,0,0|2,0,0]=4 5710 B10R1.66 CC(=O)COC1CCCC1 1458a_100000741352_200000210301 [0,1,0,1,0,0|2,0,0]=4 5711 B10R1.66 CC(=O)COC1CCCC1 34a_100000211253_100000179811 [0,1,0,1,0,0|2,0,0]=4 5712 B10R1.66 CC(=O)NCC1CCCC1 11a_100000737975_100015343762 [0,1,0,1,0,0|2,0,0]=4 5713 B10R1.66 CC(=O)NCC1CCCC1 1626a_100000737975_100015343762 [0,1,0,1,0,0|2,0,0]=4 5714 B10R1.66 CC(=O)NCC1CCCC1 240690a_100000737975_100015343762 [0,1,0,1,0,0|2,0,0]=4 5715 B10R1.66 CC(=O)NCC1CCCC1 527a_100000737975_100103153847 [0,1,0,1,0,0|2,0,0]=4 5716 B10R1.66 CC(=O)NC[C@@H]1CCCO1 11a_100020590478_100015343762 [0,1,0,1,0,0|2,0,0]=4 5717 B10R1.66 CC(=O)NC[C@@H]1CCCO1 1626a_100020590478_100015343762 [0,1,0,1,0,0|2,0,0]=4 5718 B10R1.66 CC(=O)NC[C@@H]1CCCO1 240690a_100020590478_100015343762 [0,1,0,1,0,0|2,0,0]=4 5719 B10R1.66 CC(=O)NC[C@@H]1CCCO1 527a_100020590478_100103153847 [0,1,0,1,0,0|2,0,0]=4 5720 B10R1.66 NC(=O)CCN1CCCC1 2230a_100000188435_100000744528 [0,1,0,1,0,0|2,0,0]=4 5721 B10R1.66 NC(=O)CCN1CCCC1 269982a_100000188435_100000744528 [0,1,0,1,0,0|2,0,0]=4 5722 B10R1.66 NC(=O)CNC1CCCC1 2230a_100000211070_100000747473 [0,1,0,1,0,0|2,0,0]=4 5723 B10R1.66 NC(=O)CNC1CCCC1 2230a_100000711301_100000179811 [0,1,0,1,0,0|2,0,0]=4 5724 B10R1.66 NC(=O)CNC1CCCC1 34a_100000211070_100000187820 [0,1,0,1,0,0|2,0,0]=4 5725 B10R1.66 NC(=O)COC1CCCC1 34a_100000210269_100000187820 [0,1,0,1,0,0|2,0,0]=4 5726 B10R1.66 NC(=O)COC1CCCC1 7a_100000210269_100000187820 [0,1,0,1,0,0|2,0,0]=4 5727 B10R1.66 NC(=O)COC1CCCO1 34a_100000085407_100000187820 [0,1,0,1,0,0|2,0,0]=4 5728 B10R1.66 NC(=O)CSC1CCCC1 62a_100000747473_100000179811 [0,1,0,1,0,0|2,0,0]=4 5729 B10R1.66 NC(=O)CSC1CCCC1 62a_100011217020_100000747473 [0,1,0,1,0,0|2,0,0]=4 5730 B10R1.66 O=C(O)CNC1CCCC1 269956a_100016091260_100000179811 [0,1,0,1,0,0|1,0,0]=3 5731 B10R1.66 O=C(O)CNC1CCOC1 269956a_100016091260_100000731011 [0,1,0,1,0,0|2,0,0]=4 5732 B10R1.66 O=C([O-])CNC1CCCC1 34a_100000211070_100020667443 [0,1,0,1,0,0|1,0,1]=4 5733 B10R1.66 O=C([O-])COC1CCCC1 34a_100000210269_100020667443 [0,1,0,1,0,0|1,0,1]=4 5734 B10R1.66 O=C([O-])COC1CCCO1 34a_100000085407_100020667443 [0,1,0,1,0,0|1,0,1]=4 5735 B10R1.66 O=C([O-])CSC1CCCC1 62a_100011217020_100020667443 [0,1,0,1,0,0|1,0,1]=4 5736 B10R1.66 O=C([O-])CSC1CCCC1 62a_100020667443_100000179811 [0,1,0,1,0,0|1,0,1]=4 5737 B10R1.66 [13CH3]C(=O)CCC1CCCC1 1458a_100000211120_200025704644 [0,1,0,1,0,0|2,0,0]=4 5738 B10R1.66 [13CH3]C(=O)CCC1CCCO1 1458a_100011247709_200025704644 [0,1,0,1,0,0|2,0,0]=4 5739 B10R1.66 [13CH3]C(=O)CCC1OCCO1 1458a_100000082924_200025704644 [0,1,0,1,0,0|2,0,0]=4 5740 B10R1.66 [13CH3]C(=O)CCN1CCCC1 1458a_100000738983_200025704644 [0,1,0,1,0,0|2,0,0]=4 5741 B10R1.66 [13CH3]C(=O)CCN1CCCO1 1458a_200015187630_200025704644 [0,1,0,1,0,0|2,0,0]=4 5742 B10R1.66 [13CH3]C(=O)COC1CCCC1 1458a_100000741352_200025704644 [0,1,0,1,0,0|2,0,0]=4 5743 B10R1.86 C#CCN1CCC1C(=O)O 269956a_100000021838_100000184674 [0,1,0,1,0,0|1,0,1]=4 5744 B10R1.86 C=CCN1CCC1C(=O)O 269956a_100000021838_100000210623 [0,1,0,1,0,0|1,0,1]=4 5745 B10R1.86 CCCN1CCC1C(=O)O 269956a_100000021838_100000210207 [0,1,0,1,0,0|1,0,0]=3 5746 B10R1.86 COCN1CCC1C(=O)O 269956a_100000021838_100000766300 [0,1,0,1,0,0|2,0,0]=4 5747 B10R1.86 CSCN1CCC1C(=O)O 269956a_100000021838_100011218213 [0,1,0,1,0,0|2,0,0]=4 5748 B10R1.86 N#CCN1CCC1C(=O)O 269956a_100000021838_100011215382 [0,1,0,1,0,0|0,0,2]=4 5749 B10R1.86 O=C(O)C1CCN1CCF 269956a_100000021838_100011217306 [0,1,0,1,0,0|1,0,0]=3 5750 B10R1.86 O=C(O)C1CCN1CCO 269956a_100000021838_100000211926 [0,1,0,1,0,0|1,0,0]=3 5751 B10R1.86 O=CCN1CCC1C(=O)O 269956a_100000021838_200015260668 [0,1,0,1,0,0|1,0,1]=4 5752 B10R1.126 CC(=O)CCCNC1CC1 34a_100000212008_100000685027 [0,1,0,1,0,0|2,0,0]=4 5753 B10R1.126 CC(=O)CCCOC1CC1 34a_100000759063_100000211595 [0,1,0,1,0,0|2,0,0]=4 5754 B10R1.126 CC(=O)CCCSC1CC1 62a_100011215641_100000211595 [0,1,0,1,0,0|2,0,0]=4 5755 B10R1.126 CC(=O)CCOCC1CC1 34a_100000759926_100000742324 [0,1,0,1,0,0|2,0,0]=4 5756 B10R1.126 CC(=O)CCOCC1CC1 7a_100000759926_100000742324 [0,1,0,1,0,0|2,0,0]=4 5757 B10R1.126 CC(=O)CCOCC1CO1 34a_100000759926_102125554688 [0,1,0,1,0,0|2,0,0]=4 5758 B10R1.126 CC(=O)CCOCC1CO1 7a_100000759926_102125554688 [0,1,0,1,0,0|2,0,0]=4 5759 B10R1.126 CC(=O)CCOCC1CS1 7a_100000759926_100000031435 [0,1,0,1,0,0|2,0,0]=4 5760 B10R1.126 CC(=O)CCOC[C@@H]1CO1 7a_100000759926_100000745022 [0,1,0,1,0,0|2,0,0]=4 5761 B10R1.126 CC(=O)CCSCC1CC1 62a_100000053229_100000742324 [0,1,0,1,0,0|2,0,0]=4 5762 B10R1.126 CC(=O)CCSCC1CC1 62a_100000756562_100000053229 [0,1,0,1,0,0|2,0,0]=4 5763 B10R1.126 CC(=O)CCSCC1CO1 62a_100000053229_102125554688 [0,1,0,1,0,0|2,0,0]=4 5764 B10R1.126 CC(=O)CCSCC1CO1 62a_102125554688_100000053229 [0,1,0,1,0,0|2,0,0]=4 5765 B10R1.126 CC(=O)CCSCC1CS1 62a_100000031435_100000053229 [0,1,0,1,0,0|2,0,0]=4 5766 B10R1.126 CC(=O)CCSCC1CS1 62a_100000053229_100000031435 [0,1,0,1,0,0|2,0,0]=4 5767 B10R1.126 CC(=O)CCSC[C@@H]1CO1 62a_100000053229_100000745022 [0,1,0,1,0,0|2,0,0]=4 5768 B10R1.126 CC(=O)CCSC[C@@H]1CO1 62a_100000745022_100000053229 [0,1,0,1,0,0|2,0,0]=4 5769 B10R1.126 CC(=O)COCCC1CC1 34a_100000211253_100000694398 [0,1,0,1,0,0|2,0,0]=4 5770 B10R1.126 CC(=O)COCCC1CO1 34a_100000211253_100000732470 [0,1,0,1,0,0|2,0,0]=4 5771 B10R1.126 NC(=O)CCCNC1CC1 34a_100000212008_100102525003 [0,1,0,1,0,0|2,0,0]=4 5772 B10R1.126 NC(=O)CCCNC1CC1 34a_100000739312_100000211595 [0,1,0,1,0,0|2,0,0]=4 5773 B10R1.126 NC(=O)CCCSC1CC1 62a_100102525003_100000211595 [0,1,0,1,0,0|2,0,0]=4 5774 B10R1.126 NC(=O)CCNCC1CC1 2230a_100000735609_100000744528 [0,1,0,1,0,0|2,0,0]=4 5775 B10R1.126 NC(=O)CCNCC1CC1 269862a_100000740010_100000741477 [0,1,0,1,0,0|2,0,0]=4 5776 B10R1.126 NC(=O)CCNCC1CC1 34a_100000735609_100000731001 [0,1,0,1,0,0|2,0,0]=4 5777 B10R1.126 NC(=O)CCOCC1CC1 34a_100000211283_100000731001 [0,1,0,1,0,0|2,0,0]=4 5778 B10R1.126 NC(=O)CCOCC1CC1 34a_100000757172_100000742324 [0,1,0,1,0,0|2,0,0]=4 5779 B10R1.126 NC(=O)CCOCC1CC1 7a_100000757172_100000742324 [0,1,0,1,0,0|2,0,0]=4 5780 B10R1.126 NC(=O)CCOCC1CO1 34a_100000757172_102125554688 [0,1,0,1,0,0|2,0,0]=4 5781 B10R1.126 NC(=O)CCOCC1CO1 7a_100000757172_102125554688 [0,1,0,1,0,0|2,0,0]=4 5782 B10R1.126 NC(=O)CCOCC1CS1 7a_100000757172_100000031435 [0,1,0,1,0,0|2,0,0]=4 5783 B10R1.126 NC(=O)CCOC[C@@H]1CO1 34a_100000757423_100000731001 [0,1,0,1,0,0|2,0,0]=4 5784 B10R1.126 NC(=O)CCOC[C@@H]1CO1 7a_100000757172_100000745022 [0,1,0,1,0,0|2,0,0]=4 5785 B10R1.126 NC(=O)CCSCC1CC1 62a_100000744528_100000742324 [0,1,0,1,0,0|2,0,0]=4 5786 B10R1.126 NC(=O)CCSCC1CC1 62a_100000756562_100000744528 [0,1,0,1,0,0|2,0,0]=4 5787 B10R1.126 NC(=O)CCSCC1CO1 62a_100000744528_102125554688 [0,1,0,1,0,0|2,0,0]=4 5788 B10R1.126 NC(=O)CCSCC1CO1 62a_102125554688_100000744528 [0,1,0,1,0,0|2,0,0]=4 5789 B10R1.126 NC(=O)CCSCC1CS1 62a_100000031435_100000744528 [0,1,0,1,0,0|2,0,0]=4 5790 B10R1.126 NC(=O)CCSCC1CS1 62a_100000744528_100000031435 [0,1,0,1,0,0|2,0,0]=4 5791 B10R1.126 NC(=O)CCSC[C@@H]1CO1 62a_100000744528_100000745022 [0,1,0,1,0,0|2,0,0]=4 5792 B10R1.126 NC(=O)CCSC[C@@H]1CO1 62a_100000745022_100000744528 [0,1,0,1,0,0|2,0,0]=4 5793 B10R1.126 NC(=O)CNCCC1CC1 2230a_100000711301_100000694398 [0,1,0,1,0,0|2,0,0]=4 5794 B10R1.126 NC(=O)CNCCC1CC1 34a_100000764129_100000187820 [0,1,0,1,0,0|2,0,0]=4 5795 B10R1.126 NC(=O)CNCCC1CO1 2230a_100000711301_100000732470 [0,1,0,1,0,0|2,0,0]=4 5796 B10R1.126 NC(=O)COCCC1CC1 34a_100000754188_100000187820 [0,1,0,1,0,0|2,0,0]=4 5797 B10R1.126 NC(=O)COCCC1CC1 7a_100000754188_100000187820 [0,1,0,1,0,0|2,0,0]=4 5798 B10R1.126 NC(=O)COCC[C@@H]1CO1 34a_100009820653_100000187820 [0,1,0,1,0,0|2,0,0]=4 5799 B10R1.126 NC(=O)CSCCC1CC1 62a_100000747473_100000764125 [0,1,0,1,0,0|2,0,0]=4 5800 B10R1.126 NC(=O)CSCCC1CC1 62a_100000764125_100000747473 [0,1,0,1,0,0|2,0,0]=4 5801 B10R1.126 NC(=O)CSCCC1CO1 62a_100000732470_100000747473 [0,1,0,1,0,0|2,0,0]=4 5802 B10R1.126 NC(=O)CSCCC1CO1 62a_100000747473_100000732470 [0,1,0,1,0,0|2,0,0]=4 5803 B10R1.126 O=C(O)CNCCC1CC1 269956a_100016091260_100000694398 [0,1,0,1,0,0|1,0,0]=3 5804 B10R1.126 O=C(O)CNCCC1CO1 269956a_100016091260_100000732470 [0,1,0,1,0,0|1,0,0]=3 5805 B10R1.126 O=C(O)CONCC1CC1 269956a_100000106656_100000742324 [0,1,0,1,0,0|2,0,0]=4 5806 B10R1.126 O=C(O)CONCC1CO1 269956a_100000106656_102125554688 [0,1,0,1,0,0|2,0,0]=4 5807 B10R1.126 O=C(O)CONCC1CS1 269956a_100000106656_100000031435 [0,1,0,1,0,0|2,0,0]=4 5808 B10R1.126 O=C(O)CONC[C@@H]1CO1 269956a_100000106656_100000745022 [0,1,0,1,0,0|2,0,0]=4 5809 B10R1.126 O=C([O-])CNCCC1CC1 34a_100000764129_100020667443 [0,1,0,1,0,0|1,0,1]=4 5810 B10R1.126 O=C([O-])COCCC1CC1 34a_100000754188_100020667443 [0,1,0,1,0,0|1,0,1]=4 5811 B10R1.126 O=C([O-])COCC[C@@H]1CO1 34a_100009820653_100020667443 [0,1,0,1,0,0|1,0,1]=4 5812 B10R1.126 O=C([O-])CSCCC1CC1 62a_100000764125_100020667443 [0,1,0,1,0,0|1,0,1]=4 5813 B10R1.126 O=C([O-])CSCCC1CC1 62a_100020667443_100000764125 [0,1,0,1,0,0|1,0,1]=4 5814 B10R1.126 O=C([O-])CSCCC1CO1 62a_100000732470_100020667443 [0,1,0,1,0,0|1,0,1]=4 5815 B10R1.126 O=C([O-])CSCCC1CO1 62a_100020667443_100000732470 [0,1,0,1,0,0|1,0,1]=4 5816 B10R1.177 NCCCCOCC1CO1 34a_100000750430_102125554688 [0,1,0,1,0,0|1,0,1]=4 5817 B10R1.177 NCCCOCCC1CO1 34a_100000182051_100000732470 [0,1,0,1,0,0|1,0,1]=4 5818 B10R1.177 NCCOCCCC1CO1 34a_100000210304_100000733510 [0,1,0,1,0,0|1,0,1]=4 5819 B10R1.348 CC(=O)C1CCCCCC1 1458a_100000070787_100011217769 [0,1,0,1,0,0|2,0,0]=4 5820 B10R1.348 CC(=O)C1CCCCCC1 1458a_100000749507_200000210301 [0,1,0,1,0,0|2,0,0]=4 5821 B10R1.348 CC(=O)N1CCCCCC1 11a_100000185865_100015343762 [0,1,0,1,0,0|2,0,0]=4 5822 B10R1.348 CC(=O)N1CCCCCC1 1626a_100000185865_100015343762 [0,1,0,1,0,0|2,0,0]=4 5823 B10R1.348 CC(=O)N1CCCCCC1 240690a_100000185865_100015343762 [0,1,0,1,0,0|2,0,0]=4 5824 B10R1.348 CC(=O)N1CCCCCC1 527a_100000185865_100103153847 [0,1,0,1,0,0|2,0,0]=4 5825 B10R1.348 [13CH3]C(=O)C1CCCCCC1 1458a_100000749507_200025704644 [0,1,0,1,0,0|2,0,0]=4 5826 B10R1.266 CN(CC(=O)O)C1CCC1 269956a_100000746989_100000749161 [0,1,0,1,0,0|2,0,0]=4 5827 B10R1.268 CN(CC(=O)O)CC1CC1 269956a_100000746989_100000742324 [0,1,0,1,0,0|2,0,0]=4 5828 B10R1.268 CN(CC(=O)O)CC1CO1 269956a_100000746989_102125554688 [0,1,0,1,0,0|2,0,0]=4 5829 B10R1.268 CN(CC(=O)O)CC1CS1 269956a_100000746989_100000031435 [0,1,0,1,0,0|2,0,0]=4 5830 B10R1.268 CN(CC(=O)O)C[C@@H]1CO1 269956a_100000746989_100000745022 [0,1,0,1,0,0|2,0,0]=4 5831 B10R1.15 C#CC(=O)C1CCCCC1 1458a_100000211873_100000210327 [0,1,0,1,0,0|2,0,0]=4 5832 B10R1.15 C=CC(=O)C1CCCCC1 1458a_100000185746_100000210327 [0,1,0,1,0,0|2,0,0]=4 5833 B10R1.15 CCC(=O)C1CCCCC1 1458a_100000210414_100000210327 [0,1,0,1,0,0|2,0,0]=4 5834 B10R1.15 CCC(=O)C1CCCCC1 1458a_100000210647_100000210202 [0,1,0,1,0,0|2,0,0]=4 5835 B10R1.15 CCC(=O)C1CCCCO1 1458a_100000748299_100000210202 [0,1,0,1,0,0|2,0,0]=4 5836 B10R1.15 CNC(=O)C1CCCCC1 11a_106832991635_100000210647 [0,1,0,1,0,0|2,0,0]=4 5837 B10R1.15 CNC(=O)C1CCCCC1 1626a_100102657272_100000210647 [0,1,0,1,0,0|2,0,0]=4 5838 B10R1.15 CNC(=O)C1CCCCC1 240690a_100102657272_100000210647 [0,1,0,1,0,0|2,0,0]=4 5839 B10R1.15 CNC(=O)C1CCCCC1 527a_100102657272_100000210647 [0,1,0,1,0,0|2,0,0]=4 5840 B10R1.15 CNC(=O)C1CCCCO1 11a_106832991635_100000748299 [0,1,0,1,0,0|2,0,0]=4 5841 B10R1.15 CNC(=O)C1CCCCO1 1626a_100102657272_100000748299 [0,1,0,1,0,0|2,0,0]=4 5842 B10R1.15 CNC(=O)C1CCCCO1 240690a_100102657272_100000748299 [0,1,0,1,0,0|2,0,0]=4 5843 B10R1.15 CNC(=O)C1CCCCO1 527a_100102657272_100000748299 [0,1,0,1,0,0|2,0,0]=4 5844 B10R1.15 O=C(CF)C1CCCCC1 1458a_100000210647_100015361967 [0,1,0,1,0,0|2,0,0]=4 5845 B10R1.15 O=C(CF)C1CCCCO1 1458a_100000748299_100015361967 [0,1,0,1,0,0|2,0,0]=4 5846 B10R1.15 O=C(CO)C1C=CCCC1 1458a_100000210174_100000751183 [0,1,0,1,0,0|1,0,1]=4 5847 B10R1.15 O=C(CO)C1CCCCC1 1458a_100000210174_100000210327 [0,1,0,1,0,0|1,0,0]=3 5848 B10R1.15 O=C(CO)C1CCCOC1 1458a_100000210174_100000693364 [0,1,0,1,0,0|2,0,0]=4 5849 B10R1.15 O=C(CO)C1CCOCC1 1458a_100000210174_100011324220 [0,1,0,1,0,0|2,0,0]=4 5850 B10R1.27 C#CC(=O)CC1CCCC1 1458a_100000211873_100000740388 [0,1,0,1,0,0|2,0,0]=4 5851 B10R1.27 C#CC(=O)CC1CCCO1 1458a_100000211873_100000203698 [0,1,0,1,0,0|2,0,0]=4 5852 B10R1.27 C=CC(=O)CC1CCCC1 1458a_100000185746_100000740388 [0,1,0,1,0,0|2,0,0]=4 5853 B10R1.27 C=CC(=O)CC1CCCO1 1458a_100000185746_100000203698 [0,1,0,1,0,0|2,0,0]=4 5854 B10R1.27 CCC(=O)CC1CCCC1 1458a_100000210414_100000740388 [0,1,0,1,0,0|2,0,0]=4 5855 B10R1.27 CCC(=O)CC1CCCC1 1458a_100000210891_100000210202 [0,1,0,1,0,0|2,0,0]=4 5856 B10R1.27 CCC(=O)CC1CCCO1 1458a_100000210414_100000203698 [0,1,0,1,0,0|2,0,0]=4 5857 B10R1.27 CNC(=O)CC1CCCC1 11a_106832991635_100000210891 [0,1,0,1,0,0|2,0,0]=4 5858 B10R1.27 CNC(=O)CC1CCCC1 1626a_100102657272_100000210891 [0,1,0,1,0,0|2,0,0]=4 5859 B10R1.27 CNC(=O)CC1CCCC1 240690a_100102657272_100000210891 [0,1,0,1,0,0|2,0,0]=4 5860 B10R1.27 CNC(=O)CC1CCCC1 527a_100102657272_100000210891 [0,1,0,1,0,0|2,0,0]=4 5861 B10R1.27 COC(=O)CN1CCCC1 2230a_100000188435_100000747449 [0,1,0,1,0,0|2,0,0]=4 5862 B10R1.27 COC(=O)CN1CCCC1 269982a_100000188435_100000747449 [0,1,0,1,0,0|2,0,0]=4 5863 B10R1.27 O=C(CF)CC1CCCC1 1458a_100000210891_100015361967 [0,1,0,1,0,0|2,0,0]=4 5864 B10R1.27 O=C(CO)CC1CCCC1 1458a_100000210174_100000740388 [0,1,0,1,0,0|1,0,0]=3 5865 B10R1.27 O=C(CO)CC1CCCO1 1458a_100000210174_100000203698 [0,1,0,1,0,0|1,0,0]=3 5866 B10R1.27 O=C(CO)CC1CCOC1 1458a_100000210174_100000702531 [0,1,0,1,0,0|2,0,0]=4 5867 B10R1.27 O=C(CO)CC1OCCO1 1458a_100000210174_100000755774 [0,1,0,1,0,0|2,0,0]=4 5868 B10R1.27 O=C(CO)NC1CCCC1 240690a_100000211070_100000210174 [0,1,0,1,0,0|2,0,0]=4 5869 B10R1.27 O=C(CO)NC1CCCC1 527a_100000211070_100000210174 [0,1,0,1,0,0|2,0,0]=4 5870 B10R1.37 NCCCOC1CCC1=O 34a_100000182051_100009892977 [0,1,0,1,0,0|2,0,0]=4 5871 B10R1.99 CCCN1CC1C(=O)OC 2230a_200009830135_100000210303 [0,1,0,1,0,0|2,0,0]=4 5872 B10R1.99 COC(=O)C1CN1CCF 2230a_200009830135_100011217306 [0,1,0,1,0,0|2,0,0]=4 5873 B10R1.99 COC(=O)C1CN1CCO 2230a_200009830135_100000211926 [0,1,0,1,0,0|2,0,0]=4 5874 B10R1.149 CC1CCCC1C(=O)CF 1458a_100000690547_100015361967 [0,1,0,1,0,0|2,0,0]=4 5875 B10R1.149 CCC(=O)C1CCCC1C 1458a_100000690547_100000210202 [0,1,0,1,0,0|2,0,0]=4 5876 B10R1.149 CNC(=O)C1CCCC1C 11a_106832991635_100000690547 [0,1,0,1,0,0|2,0,0]=4 5877 B10R1.149 CNC(=O)C1CCCC1C 1626a_100102657272_100000690547 [0,1,0,1,0,0|2,0,0]=4 5878 B10R1.149 CNC(=O)C1CCCC1C 240690a_100102657272_100000690547 [0,1,0,1,0,0|2,0,0]=4 5879 B10R1.149 CNC(=O)C1CCCC1C 527a_100102657272_100000690547 [0,1,0,1,0,0|2,0,0]=4 5880 B10R1.149 COC(=O)[C@@H]1CCCN1C 2230a_100000752040_200000210301 [0,1,0,1,0,0|2,0,0]=4 5881 B10R1.149 COC(=O)[C@@H]1CCCN1C 269982a_100000752040_200000210301 [0,1,0,1,0,0|2,0,0]=4 5882 B10R1.149 COC(=O)[C@@H]1CCCN1[13CH3] 2230a_100000752040_200025704644 [0,1,0,1,0,0|2,0,0]=4 5883 B10R1.149 COC(=O)[C@@H]1CCCN1[13CH3] 269982a_100000752040_200025704644 [0,1,0,1,0,0|2,0,0]=4 5884 B10R1.149 C[C@@H]1CCCN1C(=O)CO 240690a_100015189458_100000210174 [0,1,0,1,0,0|2,0,0]=4 5885 B10R1.149 C[C@@H]1CCCN1C(=O)CO 527a_100015189458_100000210174 [0,1,0,1,0,0|2,0,0]=4 5886 B10R1.149 C[C@H]1CCCN1C(=O)CO 240690a_100020605311_100000210174 [0,1,0,1,0,0|2,0,0]=4 5887 B10R1.149 C[C@H]1CCCN1C(=O)CO 527a_100020605311_100000210174 [0,1,0,1,0,0|2,0,0]=4 5888 B10R1.149 O=C(CO)C1CCCC1=O 1458a_100000210174_100000211823 [0,1,0,1,0,0|1,0,1]=4 5889 B10R1.151 COC(=O)CCN1CCC1 269982a_100000754969_100000204255 [0,1,0,1,0,0|2,0,0]=4 5890 B10R1.151 COC(=O)CNC1CCC1 2230a_100000749019_100000747449 [0,1,0,1,0,0|2,0,0]=4 5891 B10R1.151 COC(=O)CNC1CCC1 34a_100000749019_100000747449 [0,1,0,1,0,0|2,0,0]=4 5892 B10R1.151 COC(=O)COC1CCC1 34a_100000748187_100000747449 [0,1,0,1,0,0|2,0,0]=4 5893 B10R1.151 COC(=O)CSC1CCC1 62a_100000747449_100000749161 [0,1,0,1,0,0|2,0,0]=4 5894 B10R1.151 O=C(CO)NCC1CCC1 240690a_100000738700_100000210174 [0,1,0,1,0,0|2,0,0]=4 5895 B10R1.151 O=C(CO)NCC1CCC1 527a_100000738700_100000210174 [0,1,0,1,0,0|2,0,0]=4 5896 B10R1.151 O=C(CO)NC[C@@H]1CCO1 240690a_100020831831_100000210174 [0,1,0,1,0,0|2,0,0]=4 5897 B10R1.151 O=C(CO)NC[C@@H]1CCO1 527a_100020831831_100000210174 [0,1,0,1,0,0|2,0,0]=4 5898 B10R1.172 COC1CCCC(C1)CN 34a_100011254705_200000210301 [0,1,0,1,0,0|1,0,1]=4 5899 B10R1.172 [13CH3]OC1CCCC(C1)CN 34a_100011254705_200025704644 [0,1,0,1,0,0|1,0,1]=4 5900 B10R1.175 CCN1CC[C@H]1C(=O)OC 2230a_102516456887_100000210202 [0,1,0,1,0,0|2,0,0]=4 5901 B10R1.175 CCN1CC[C@H]1C(=O)OC 269982a_102516456887_100000204670 [0,1,0,1,0,0|2,0,0]=4 5902 B10R1.175 COC(=O)[C@@H]1CCN1CF 269982a_102516456887_100015361967 [0,1,0,1,0,0|2,0,0]=4 5903 B10R1.463 COC(=O)CN1CCC1C 269982a_100000755817_100000747449 [0,1,0,1,0,0|2,0,0]=4 5904 B10R1.463 COC(=O)CN1CCC1C 34a_100000755817_100000747449 [0,1,0,1,0,0|2,0,0]=4 5905 B10R1.93 CCN[C@H]1C[C@H](C1)C(=O)O 269956a_100000738708_100000210202 [0,1,0,1,0,0|2,0,0]=4 5906 B10R1.93 O=C(O)[C@H]1C[C@H](C1)NCF 269956a_100000738708_100015361967 [0,1,0,1,0,0|2,0,0]=4 5907 B10R1.113 CC(=O)C1CCCC(C1)C 1458a_100011215569_200000210301 [0,1,0,1,0,0|2,0,0]=4 5908 B10R1.113 CC(=O)C1CCCC(C1)O 1458a_100000707227_200000210301 [0,1,0,1,0,0|2,0,0]=4 5909 B10R1.113 CC(=O)[C@H]1CCCC(=O)N1 1458a_100000705292_200000210301 [0,1,0,1,0,0|1,0,1]=4 5910 B10R1.113 CC1CCCC(C1)C(=O)[13CH3] 1458a_100011215569_200025704644 [0,1,0,1,0,0|2,0,0]=4 5911 B10R1.113 [13CH3]C(=O)C1CCCC(C1)O 1458a_100000707227_200025704644 [0,1,0,1,0,0|2,0,0]=4 5912 B10R1.113 [13CH3]C(=O)[C@H]1CCCC(=O)N1 1458a_100000705292_200025704644 [0,1,0,1,0,0|1,0,1]=4 5913 B10R1.204 C[C@H](NC1CCC1)C(=O)O 269956a_100000743915_100000749161 [0,1,0,1,0,0|2,0,0]=4 5914 B10R1.205 CC(CNC1CC1)C(=O)O 269956a_100000749485_100000211595 [0,1,0,1,0,0|2,0,0]=4 5915 B10R1.205 C[C@H](NCC1CC1)C(=O)O 269956a_100000743915_100000742324 [0,1,0,1,0,0|2,0,0]=4 5916 B10R1.205 C[C@H](NCC1CO1)C(=O)O 269956a_100000743915_102125554688 [0,1,0,1,0,0|2,0,0]=4 5917 B10R1.205 C[C@H](NCC1CS1)C(=O)O 269956a_100000743915_100000031435 [0,1,0,1,0,0|2,0,0]=4 5918 B10R1.205 C[C@H](NC[C@@H]1CO1)C(=O)O 269956a_100000743915_100000745022 [0,1,0,1,0,0|2,0,0]=4 5919 B10R1.205 O=C(O)C(F)CNC1CC1 269956a_100000084737_100000211595 [0,1,0,1,0,0|2,0,0]=4 5920 B10R1.291 CN1CCC[C@@]1(C)C(=O)O 269956a_100009816582_200000210301 [0,1,0,1,0,0|2,0,0]=4 5921 B10R1.291 C[C@]1(CCCN1[13CH3])C(=O)O 269956a_100009816582_200025704644 [0,1,0,1,0,0|2,0,0]=4 5922 B10R1.363 CC(=O)C1(CCCCC1)C 1458a_100000762840_200000210301 [0,1,0,1,0,0|2,0,0]=4 5923 B10R1.363 CC(=O)C1(CCCCC1)F 1458a_100000069003_200000210301 [0,1,0,1,0,0|2,0,0]=4 5924 B10R1.363 CC(=O)C1(CCCCC1)O 1458a_100000242742_200000210301 [0,1,0,1,0,0|2,0,0]=4 5925 B10R1.363 CC1(CCCCC1)C(=O)[13CH3] 1458a_100000762840_200025704644 [0,1,0,1,0,0|2,0,0]=4 5926 B10R1.363 [13CH3]C(=O)C1(CCCCC1)F 1458a_100000069003_200025704644 [0,1,0,1,0,0|2,0,0]=4 5927 B10R1.363 [13CH3]C(=O)C1(CCCCC1)O 1458a_100000242742_200025704644 [0,1,0,1,0,0|2,0,0]=4 5928 B10R1.59 CN1C[C@H](C[C@H]1C(=O)O)F 269956a_100016993324_200000210301 [0,1,0,1,0,0|2,0,0]=4 5929 B10R1.59 CN1C[C@H](C[C@H]1C(=O)O)O 269956a_100000750407_200000210301 [0,1,0,1,0,0|2,0,0]=4 5930 B10R1.59 [13CH3]N1C[C@H](C[C@H]1C(=O)O)F 269956a_100016993324_200025704644 [0,1,0,1,0,0|2,0,0]=4 5931 B10R1.59 [13CH3]N1C[C@H](C[C@H]1C(=O)O)O 269956a_100000750407_200025704644 [0,1,0,1,0,0|2,0,0]=4 5932 B10R1.361 CC(C)N1CCC1C(=O)O 269956a_100000021838_100000210206 [0,1,0,1,0,0|2,0,0]=4 5933 B10R2.638 CC(=O)C1CC12CCC2 1458a_100000687150_200000210301 [0,0,0,2,0,0|2,0,0]=4 5934 B10R2.638 [13CH3]C(=O)C1CC12CCC2 1458a_100000687150_200025704644 [0,0,0,2,0,0|2,0,0]=4