0 B8R0.4 C#CCCCSCC=C 62a_100000210623_100011215417 [0,0,0,0,0,0|2,0,2]=4 1 B8R0.4 C#CCCCSCC=C 62a_100011215417_100000210623 [0,0,0,0,0,0|2,0,2]=4 2 B8R0.4 C#CCCSCCC=C 62a_100000688953_100000754431 [0,0,0,0,0,0|2,0,2]=4 3 B8R0.4 C#CCCSCCC=C 62a_100000754431_100000688953 [0,0,0,0,0,0|2,0,2]=4 4 B8R0.4 C#CCSCCCC=C 62a_100000038162_100000757094 [0,0,0,0,0,0|2,0,2]=4 5 B8R0.4 C=CCCCNCC=C 2230a_100000700776_100000210623 [0,0,0,0,0,0|3,0,0]=3 6 B8R0.4 C=CCCCNCC=C 2230a_100020586998_100011713584 [0,0,0,0,0,0|3,0,0]=3 7 B8R0.4 C=CCCCNCC=C 34a_100000700776_100015514636 [0,0,0,0,0,0|3,0,0]=3 8 B8R0.4 C=CCCCNCC=O 2230a_100000700776_200015260668 [0,0,0,0,0,0|4,0,0]=4 9 B8R0.4 C=CCCCNCC=O 34a_100000700776_200009817547 [0,0,0,0,0,0|4,0,0]=4 10 B8R0.4 C=CCCCOCC=C 34a_100000758997_100015514636 [0,0,0,0,0,0|2,1,0]=3 11 B8R0.4 C=CCCCOCC=C 34a_200000210373_100000757094 [0,0,0,0,0,0|2,1,0]=3 12 B8R0.4 C=CCCCOCC=C 7a_100000758997_100015514636 [0,0,0,0,0,0|2,1,0]=3 13 B8R0.4 C=CCCCOCC=O 34a_100000758997_200009817547 [0,0,0,0,0,0|3,1,0]=4 14 B8R0.4 C=CCCCOCC=O 7a_100000758997_200015260668 [0,0,0,0,0,0|3,1,0]=4 15 B8R0.4 C=CCCCSCC#N 62a_100011215382_100000757094 [0,0,0,0,0,0|3,0,1]=4 16 B8R0.4 C=CCCCSCC#N 62a_100011713584_100011215382 [0,0,0,0,0,0|3,0,1]=4 17 B8R0.4 C=CCCCSCC=C 62a_100000210623_100000757094 [0,0,0,0,0,0|2,0,0]=2 18 B8R0.4 C=CCCCSCC=C 62a_100011713584_100000210623 [0,0,0,0,0,0|2,0,0]=2 19 B8R0.4 C=CCCCSCC=O 62a_100011713584_200015260668 [0,0,0,0,0,0|3,0,0]=3 20 B8R0.4 C=CCCCSCC=O 62a_200015260668_100000757094 [0,0,0,0,0,0|3,0,0]=3 21 B8R0.4 C=CCCCSCCC 62a_100000210303_100000757094 [0,0,0,0,0,0|2,0,2]=4 22 B8R0.4 C=CCCCSCCC 62a_100011713584_100000210303 [0,0,0,0,0,0|2,0,2]=4 23 B8R0.4 C=CCCCSCCF 62a_100011217306_100000757094 [0,0,0,0,0,0|3,0,1]=4 24 B8R0.4 C=CCCCSCCF 62a_100011713584_100011217306 [0,0,0,0,0,0|3,0,1]=4 25 B8R0.4 C=CCCCSCCO 62a_100000211926_100000757094 [0,0,0,0,0,0|3,0,1]=4 26 B8R0.4 C=CCCCSCCO 62a_100011713584_100000211926 [0,0,0,0,0,0|3,0,1]=4 27 B8R0.4 C=CCCCSCOC 62a_100000766300_100000757094 [0,0,0,0,0,0|3,0,1]=4 28 B8R0.4 C=CCCCSCOC 62a_100011713584_100000766300 [0,0,0,0,0,0|3,0,1]=4 29 B8R0.4 C=CCCCSCSC 62a_100011218213_100000757094 [0,0,0,0,0,0|3,0,1]=4 30 B8R0.4 C=CCCCSCSC 62a_100011713584_100011218213 [0,0,0,0,0,0|3,0,1]=4 31 B8R0.4 C=CCCNCCC=C 2230a_100015191253_100000754431 [0,0,0,0,0,0|3,0,0]=3 32 B8R0.4 C=CCCOCCC=C 34a_100011205117_100000754431 [0,0,0,0,0,0|2,1,0]=3 33 B8R0.4 C=CCCSC/C=C/C 62a_100000754431_100102629194 [0,0,0,0,0,0|2,0,2]=4 34 B8R0.4 C=CCCSC/C=C/C 62a_100102629194_100000754431 [0,0,0,0,0,0|2,0,2]=4 35 B8R0.4 C=CCCSCC=CC 62a_100000070051_100000754431 [0,0,0,0,0,0|2,0,2]=4 36 B8R0.4 C=CCCSCC=CC 62a_100000754431_100000070051 [0,0,0,0,0,0|2,0,2]=4 37 B8R0.4 C=CCCSCCC#N 62a_100000754431_100011215226 [0,0,0,0,0,0|3,0,1]=4 38 B8R0.4 C=CCCSCCC#N 62a_100011215226_100000754431 [0,0,0,0,0,0|3,0,1]=4 39 B8R0.4 C=CCCSCCC=C 62a_100000754431_100000754431 [0,0,0,0,0,0|2,0,0]=2 40 B8R0.4 C=CCCSCCCC 62a_100000210211_100000754431 [0,0,0,0,0,0|2,0,2]=4 41 B8R0.4 C=CCCSCCCC 62a_100000754431_100000210210 [0,0,0,0,0,0|2,0,2]=4 42 B8R0.4 C=CCCSCCCF 62a_100000754431_100011934791 [0,0,0,0,0,0|3,0,1]=4 43 B8R0.4 C=CCCSCCCF 62a_100011934791_100000754431 [0,0,0,0,0,0|3,0,1]=4 44 B8R0.4 C=CCCSCCCO 62a_100000754431_100011215043 [0,0,0,0,0,0|3,0,1]=4 45 B8R0.4 C=CCCSCCCO 62a_100011215043_100000754431 [0,0,0,0,0,0|3,0,1]=4 46 B8R0.4 C=CCCSCCOC 62a_100000233755_100000754431 [0,0,0,0,0,0|3,0,1]=4 47 B8R0.4 C=CCCSCCOC 62a_100000754431_100000233755 [0,0,0,0,0,0|3,0,1]=4 48 B8R0.4 C=CCCSCCSC 62a_100000212216_100000754431 [0,0,0,0,0,0|3,0,1]=4 49 B8R0.4 C=CCCSCCSC 62a_100000754431_100000751147 [0,0,0,0,0,0|3,0,1]=4 50 B8R0.4 C=CCNCCCC=O 2230a_100020586998_200011292268 [0,0,0,0,0,0|4,0,0]=4 51 B8R0.4 C=CCNCCOC=C 2230a_100020586998_100000039644 [0,0,0,0,0,0|4,0,0]=4 52 B8R0.4 C=CCOCCOC=C 34a_100000033082_100015514636 [0,0,0,0,0,0|3,1,0]=4 53 B8R0.4 C=CCOCCOC=C 34a_200000210373_100000039644 [0,0,0,0,0,0|3,1,0]=4 54 B8R0.4 C=CCSCCCC#N 62a_100000210623_100000687738 [0,0,0,0,0,0|3,0,1]=4 55 B8R0.4 C=CCSCCCC#N 62a_100000687738_100000210623 [0,0,0,0,0,0|3,0,1]=4 56 B8R0.4 C=CCSCCCC=O 62a_100000210623_200011292268 [0,0,0,0,0,0|3,0,0]=3 57 B8R0.4 C=CCSCCCC=O 62a_200011292268_100000210623 [0,0,0,0,0,0|3,0,0]=3 58 B8R0.4 C=CCSCCCCC 62a_100000210326_100000210623 [0,0,0,0,0,0|2,0,2]=4 59 B8R0.4 C=CCSCCCCC 62a_100000210623_100000210326 [0,0,0,0,0,0|2,0,2]=4 60 B8R0.4 C=CCSCCCCF 62a_100000210623_100000729493 [0,0,0,0,0,0|3,0,1]=4 61 B8R0.4 C=CCSCCCCF 62a_100000729493_100000210623 [0,0,0,0,0,0|3,0,1]=4 62 B8R0.4 C=CCSCCCCO 62a_100000210623_100000210776 [0,0,0,0,0,0|3,0,1]=4 63 B8R0.4 C=CCSCCCCO 62a_100000210776_100000210623 [0,0,0,0,0,0|3,0,1]=4 64 B8R0.4 C=CCSCCCOC 62a_100000210623_100000709357 [0,0,0,0,0,0|3,0,1]=4 65 B8R0.4 C=CCSCCCOC 62a_100000709357_100000210623 [0,0,0,0,0,0|3,0,1]=4 66 B8R0.4 C=CCSCCOC=C 62a_100000039644_100000210623 [0,0,0,0,0,0|3,0,0]=3 67 B8R0.4 C=CCSCCOC=C 62a_100000210623_100000039644 [0,0,0,0,0,0|3,0,0]=3 68 B8R0.4 C=COCCSCC=O 62a_100000039644_200015260668 [0,0,0,0,0,0|4,0,0]=4 69 B8R0.4 C=COCCSCC=O 62a_200015260668_100000039644 [0,0,0,0,0,0|4,0,0]=4 70 B8R0.4 O=CCCCSCC=O 62a_200011292268_200015260668 [0,0,0,0,0,0|4,0,0]=4 71 B8R0.4 O=CCCCSCC=O 62a_200015260668_200011292268 [0,0,0,0,0,0|4,0,0]=4 72 B7R0.1 C#CCCSCC=C 62a_100000210623_100000688953 [1,0,0,0,0,0|1,0,2]=4 73 B7R0.1 C#CCCSCC=C 62a_100000688953_100000210623 [1,0,0,0,0,0|1,0,2]=4 74 B7R0.1 C#CCSCCC=C 62a_100000038162_100000754431 [1,0,0,0,0,0|1,0,2]=4 75 B7R0.1 C=CCCCSCC 62a_100000210202_100000757094 [1,0,0,0,0,0|2,0,1]=4 76 B7R0.1 C=CCCCSCC 62a_100011713584_100000210202 [1,0,0,0,0,0|2,0,1]=4 77 B7R0.1 C=CCCCSCF 62a_100011713584_100015361967 [1,0,0,0,0,0|3,0,0]=4 78 B7R0.1 C=CCCCSCF 62a_100015361967_100000757094 [1,0,0,0,0,0|3,0,0]=4 79 B7R0.1 C=CCCNCC=C 2230a_100015191253_100000210623 [1,0,0,0,0,0|2,0,0]=3 80 B7R0.1 C=CCCNCC=C 2230a_100020586998_100000754431 [1,0,0,0,0,0|2,0,0]=3 81 B7R0.1 C=CCCNCC=O 2230a_100015191253_200015260668 [1,0,0,0,0,0|3,0,0]=4 82 B7R0.1 C=CCCOCC=C 34a_100011205117_100015514636 [1,0,0,0,0,0|1,1,0]=3 83 B7R0.1 C=CCCOCC=C 34a_200000210373_100000754431 [1,0,0,0,0,0|1,1,0]=3 84 B7R0.1 C=CCCOCC=O 34a_100011205117_200009817547 [1,0,0,0,0,0|2,1,0]=4 85 B7R0.1 C=CCCSCC#N 62a_100000754431_100011215382 [1,0,0,0,0,0|2,0,1]=4 86 B7R0.1 C=CCCSCC#N 62a_100011215382_100000754431 [1,0,0,0,0,0|2,0,1]=4 87 B7R0.1 C=CCCSCC=C 62a_100000210623_100000754431 [1,0,0,0,0,0|1,0,0]=2 88 B7R0.1 C=CCCSCC=C 62a_100000754431_100000210623 [1,0,0,0,0,0|1,0,0]=2 89 B7R0.1 C=CCCSCC=O 62a_100000754431_200015260668 [1,0,0,0,0,0|2,0,0]=3 90 B7R0.1 C=CCCSCC=O 62a_200015260668_100000754431 [1,0,0,0,0,0|2,0,0]=3 91 B7R0.1 C=CCCSCCC 62a_100000210303_100000754431 [1,0,0,0,0,0|1,0,2]=4 92 B7R0.1 C=CCCSCCC 62a_100000754431_100000210303 [1,0,0,0,0,0|1,0,2]=4 93 B7R0.1 C=CCCSCCF 62a_100000754431_100011217306 [1,0,0,0,0,0|2,0,1]=4 94 B7R0.1 C=CCCSCCF 62a_100011217306_100000754431 [1,0,0,0,0,0|2,0,1]=4 95 B7R0.1 C=CCCSCCO 62a_100000211926_100000754431 [1,0,0,0,0,0|2,0,1]=4 96 B7R0.1 C=CCCSCCO 62a_100000754431_100000211926 [1,0,0,0,0,0|2,0,1]=4 97 B7R0.1 C=CCCSCOC 62a_100000754431_100000766300 [1,0,0,0,0,0|2,0,1]=4 98 B7R0.1 C=CCCSCOC 62a_100000766300_100000754431 [1,0,0,0,0,0|2,0,1]=4 99 B7R0.1 C=CCCSCSC 62a_100000754431_100011218213 [1,0,0,0,0,0|2,0,1]=4 100 B7R0.1 C=CCCSCSC 62a_100011218213_100000754431 [1,0,0,0,0,0|2,0,1]=4 101 B7R0.1 C=CCSC/C=C/C 62a_100000210623_100102629194 [1,0,0,0,0,0|1,0,2]=4 102 B7R0.1 C=CCSC/C=C/C 62a_100102629194_100000210623 [1,0,0,0,0,0|1,0,2]=4 103 B7R0.1 C=CCSCC=CC 62a_100000070051_100000210623 [1,0,0,0,0,0|1,0,2]=4 104 B7R0.1 C=CCSCC=CC 62a_100000210623_100000070051 [1,0,0,0,0,0|1,0,2]=4 105 B7R0.1 C=CCSCCC#N 62a_100000210623_100011215226 [1,0,0,0,0,0|2,0,1]=4 106 B7R0.1 C=CCSCCC#N 62a_100011215226_100000210623 [1,0,0,0,0,0|2,0,1]=4 107 B7R0.1 C=CCSCCCC 62a_100000210211_100000210623 [1,0,0,0,0,0|1,0,2]=4 108 B7R0.1 C=CCSCCCC 62a_100000210623_100000210210 [1,0,0,0,0,0|1,0,2]=4 109 B7R0.1 C=CCSCCCF 62a_100000210623_100011934791 [1,0,0,0,0,0|2,0,1]=4 110 B7R0.1 C=CCSCCCF 62a_100011934791_100000210623 [1,0,0,0,0,0|2,0,1]=4 111 B7R0.1 C=CCSCCCO 62a_100000210623_100011215043 [1,0,0,0,0,0|2,0,1]=4 112 B7R0.1 C=CCSCCCO 62a_100011215043_100000210623 [1,0,0,0,0,0|2,0,1]=4 113 B7R0.1 C=CCSCCOC 62a_100000210623_100000233755 [1,0,0,0,0,0|2,0,1]=4 114 B7R0.1 C=CCSCCOC 62a_100000233755_100000210623 [1,0,0,0,0,0|2,0,1]=4 115 B7R0.1 C=CCSCCSC 62a_100000210623_100000751147 [1,0,0,0,0,0|2,0,1]=4 116 B7R0.1 C=CCSCCSC 62a_100000212216_100000210623 [1,0,0,0,0,0|2,0,1]=4 117 B7R0.1 C=CCSCOCC 62a_100000210623_100000739092 [1,0,0,0,0,0|1,1,1]=4 118 B7R0.1 C=CCSCOCC 62a_100000739092_100000210623 [1,0,0,0,0,0|1,1,1]=4 119 B7R0.1 C=CCSCSC#N 62a_100000210623_100000211825 [1,0,0,0,0,0|2,0,1]=4 120 B7R0.1 C=CCSCSC#N 62a_100000211825_100000210623 [1,0,0,0,0,0|2,0,1]=4 121 B9R0.2 C=C(C)CSCCCC=O 62a_100000748629_200011292268 [0,1,0,0,0,0|3,0,0]=4 122 B9R0.2 C=C(C)CSCCCC=O 62a_200011292268_100000211660 [0,1,0,0,0,0|3,0,0]=4 123 B9R0.2 C=C(F)CSCCCC=O 62a_100000042424_200011292268 [0,1,0,0,0,0|3,0,0]=4 124 B9R0.2 C=C(F)CSCCCC=O 62a_200011292268_100000042424 [0,1,0,0,0,0|3,0,0]=4 125 B9R0.2 C=CCCCNCC(=C)C 2230a_100000700776_100000748629 [0,1,0,0,0,0|3,0,0]=4 126 B9R0.2 C=CCCCNCC(=C)C 34a_100000700776_100000748629 [0,1,0,0,0,0|3,0,0]=4 127 B9R0.2 C=CCCCNCC(=C)F 2230a_100000700776_100009893438 [0,1,0,0,0,0|3,0,0]=4 128 B9R0.2 C=CCCCNCC(=C)F 34a_100000700776_100009893438 [0,1,0,0,0,0|3,0,0]=4 129 B9R0.2 C=CCCCOCC(=C)C 34a_100000210245_100000757094 [0,1,0,0,0,0|2,1,0]=4 130 B9R0.2 C=CCCCOCC(=C)C 34a_100000758997_100000748629 [0,1,0,0,0,0|2,1,0]=4 131 B9R0.2 C=CCCCOCC(=C)C 7a_100000758997_100000748629 [0,1,0,0,0,0|2,1,0]=4 132 B9R0.2 C=CCCCOCC(=C)F 34a_100000758997_100009893438 [0,1,0,0,0,0|2,1,0]=4 133 B9R0.2 C=CCCCOCC(=C)F 34a_200010262243_100000757094 [0,1,0,0,0,0|2,1,0]=4 134 B9R0.2 C=CCCCOCC(=C)F 7a_100000758997_100000042424 [0,1,0,0,0,0|2,1,0]=4 135 B9R0.2 C=CCCCSCC(=C)C 62a_100000748629_100000757094 [0,1,0,0,0,0|2,0,0]=3 136 B9R0.2 C=CCCCSCC(=C)C 62a_100011713584_100000211660 [0,1,0,0,0,0|2,0,0]=3 137 B9R0.2 C=CCCCSCC(=C)F 62a_100000042424_100000757094 [0,1,0,0,0,0|2,0,0]=3 138 B9R0.2 C=CCCCSCC(=C)F 62a_100011713584_100000042424 [0,1,0,0,0,0|2,0,0]=3 139 B9R0.2 C=CCCCSCC(=O)N 62a_100000747473_100000757094 [0,1,0,0,0,0|3,0,0]=4 140 B9R0.2 C=CCCCSCC(=O)N 62a_100011713584_100000747473 [0,1,0,0,0,0|3,0,0]=4 141 B9R0.2 C=CCCCSCC(=O)[O-] 62a_100011713584_100020667443 [0,1,0,0,0,0|3,0,0]=4 142 B9R0.2 C=CCCCSCC(=O)[O-] 62a_100020667443_100000757094 [0,1,0,0,0,0|3,0,0]=4 143 B9R0.2 C=CCCNCCC(=C)C 2230a_100015191253_100000730704 [0,1,0,0,0,0|3,0,0]=4 144 B9R0.2 C=CCCOCCC(=C)Br 34a_100009813270_100000754431 [0,1,0,0,0,0|2,1,0]=4 145 B9R0.2 C=CCCOCCC(=C)C 34a_100000764851_100000754431 [0,1,0,0,0,0|2,1,0]=4 146 B9R0.2 C=CCCOCCC(=C)C 34a_100011205117_100000730704 [0,1,0,0,0,0|2,1,0]=4 147 B9R0.2 C=CCCSCCC(=C)C 62a_100000730704_100000754431 [0,1,0,0,0,0|2,0,0]=3 148 B9R0.2 C=CCCSCCC(=C)C 62a_100000754431_100000730704 [0,1,0,0,0,0|2,0,0]=3 149 B9R0.2 C=CCCSCCC(=O)C 62a_100000053229_100000754431 [0,1,0,0,0,0|2,0,1]=4 150 B9R0.2 C=CCCSCCC(=O)C 62a_100000754431_100000053229 [0,1,0,0,0,0|2,0,1]=4 151 B9R0.2 C=CCCSCCC(=O)N 62a_100000744528_100000754431 [0,1,0,0,0,0|3,0,0]=4 152 B9R0.2 C=CCCSCCC(=O)N 62a_100000754431_100000744528 [0,1,0,0,0,0|3,0,0]=4 153 B9R0.2 C=CCSCCCC(=O)C 62a_100000210623_100011215641 [0,1,0,0,0,0|2,0,1]=4 154 B9R0.2 C=CCSCCCC(=O)C 62a_100011215641_100000210623 [0,1,0,0,0,0|2,0,1]=4 155 B9R0.2 C=CCSCCCC(=O)N 62a_100000210623_100102525003 [0,1,0,0,0,0|3,0,0]=4 156 B9R0.2 C=CCSCCCC(=O)N 62a_100102525003_100000210623 [0,1,0,0,0,0|3,0,0]=4 157 B9R0.2 C=COCCSCC(=C)C 62a_100000039644_100000211660 [0,1,0,0,0,0|3,0,0]=4 158 B9R0.2 C=COCCSCC(=C)C 62a_100000748629_100000039644 [0,1,0,0,0,0|3,0,0]=4 159 B9R0.2 C=COCCSCC(=C)F 62a_100000039644_100000042424 [0,1,0,0,0,0|3,0,0]=4 160 B9R0.2 C=COCCSCC(=C)F 62a_100000042424_100000039644 [0,1,0,0,0,0|3,0,0]=4 161 B9R0.5 C=CCCCC(=O)CC=C 1458a_100000210193_100000757094 [0,1,0,0,0,0|3,0,0]=4 162 B9R0.5 C=CCCCC(=O)CC=C 1458a_100000766728_100000210623 [0,1,0,0,0,0|3,0,0]=4 163 B9R0.5 C=CCCCN(C)CC=C 2230a_100000225617_100011713584 [0,1,0,0,0,0|3,0,0]=4 164 B9R0.5 C=CCCCN(C)CC=C 269982a_100000225617_100000757094 [0,1,0,0,0,0|3,0,0]=4 165 B9R0.5 C=CCCNC(=O)CC=C 11a_100015191253_100000210193 [0,1,0,0,0,0|3,0,0]=4 166 B9R0.5 C=CCCNC(=O)CC=C 1626a_100015191253_100000210193 [0,1,0,0,0,0|3,0,0]=4 167 B9R0.5 C=CCCNC(=O)CC=C 240690a_100015191253_100000210193 [0,1,0,0,0,0|3,0,0]=4 168 B9R0.5 C=CCCNC(=O)CC=C 527a_100015191253_100000210193 [0,1,0,0,0,0|3,0,0]=4 169 B9R0.5 C=CCCO[C@H](C)CC=C 34a_100000731007_100000754431 [0,1,0,0,0,0|2,1,0]=4 170 B9R0.5 C=CCCO[C@H](C)CC=C 7a_100000731007_100000754431 [0,1,0,0,0,0|2,1,0]=4 171 B9R0.5 C=CCNNC(=O)CC=C 22a_100020588587_100000210193 [0,1,0,0,0,0|3,0,0]=4 172 B9R0.5 C=CCOCC(C)CC=C 34a_100009832082_100015514636 [0,1,0,0,0,0|2,1,0]=4 173 B9R0.5 C=CCOCC(C)CC=C 7a_100009832082_100015514636 [0,1,0,0,0,0|2,1,0]=4 174 B9R0.5 C=CCOC[C@H](N)CC=C 34a_100020615467_100015514636 [0,1,0,0,0,0|2,1,0]=4 175 B9R0.5 C=CCSCC(=O)CC=C 1458a_100000230395_100000210623 [0,1,0,0,0,0|2,0,0]=3 176 B9R0.5 C=CCSCC(=O)OC=C 62a_100000036128_100000210623 [0,1,0,0,0,0|3,0,0]=4 177 B9R0.5 C=CCSCC(=O)OC=C 62a_100000210623_100000036128 [0,1,0,0,0,0|3,0,0]=4 178 B9R0.18 C=CCCC(=O)CCC=C 1458a_100000749702_100000754431 [0,1,0,0,0,0|3,0,0]=4 179 B9R0.18 C=CCCC(=O)NCC=C 1626a_100020586998_100000749702 [0,1,0,0,0,0|3,0,0]=4 180 B9R0.18 C=CCCC(=O)NCC=C 240690a_100020586998_100000749702 [0,1,0,0,0,0|3,0,0]=4 181 B9R0.18 C=CCCC(=O)NCC=C 527a_100020586998_100000749702 [0,1,0,0,0,0|3,0,0]=4 182 B9R0.18 C=CCCC(C)NCC=C 270004a_100020586998_100000762624 [0,1,0,0,0,0|3,0,0]=4 183 B9R0.18 C=CCCC(C)OCC=C 34a_100000765329_100015514636 [0,1,0,0,0,0|2,1,0]=4 184 B9R0.18 C=CCCC(C)OCC=C 7a_100000765329_100015514636 [0,1,0,0,0,0|2,1,0]=4 185 B9R0.18 C=CCCN(C)CCC=C 2230a_100020639649_100000754431 [0,1,0,0,0,0|3,0,0]=4 186 B9R0.18 C=CCCN(C)CCC=C 269982a_100020639649_100000754431 [0,1,0,0,0,0|3,0,0]=4 187 B9R0.18 C=CCNC(=O)NCC=C 273464a_100020586998_100020586998 [0,1,0,0,0,0|3,0,0]=4 188 B9R0.18 C=CCNC(=O)NCC=C 512a_100020586998_100020586998 [0,1,0,0,0,0|3,0,0]=4 189 B9R0.45 C/C=C/CSCCCC=O 62a_100102629194_200011292268 [0,1,0,0,0,0|3,0,0]=4 190 B9R0.45 C/C=C/CSCCCC=O 62a_200011292268_100102629194 [0,1,0,0,0,0|3,0,0]=4 191 B9R0.45 C=CCCCCNCC=C 2230a_100000703577_100000210623 [0,1,0,0,0,0|3,0,0]=4 192 B9R0.45 C=CCCCCNCC=C 2230a_100020586998_100011215482 [0,1,0,0,0,0|3,0,0]=4 193 B9R0.45 C=CCCCCNCC=C 34a_100000703577_100015514636 [0,1,0,0,0,0|3,0,0]=4 194 B9R0.45 C=CCCCCOCC=C 34a_100000766645_100015514636 [0,1,0,0,0,0|2,1,0]=4 195 B9R0.45 C=CCCCCOCC=C 34a_200000210373_100011215482 [0,1,0,0,0,0|2,1,0]=4 196 B9R0.45 C=CCCCCOCC=C 7a_100000766645_100015514636 [0,1,0,0,0,0|2,1,0]=4 197 B9R0.45 C=CCCCCSCC=C 62a_100000210623_100011215482 [0,1,0,0,0,0|2,0,0]=3 198 B9R0.45 C=CCCCCSCC=C 62a_100011215482_100000210623 [0,1,0,0,0,0|2,0,0]=3 199 B9R0.45 C=CCCCCSCC=O 62a_100011215482_200015260668 [0,1,0,0,0,0|3,0,0]=4 200 B9R0.45 C=CCCCCSCC=O 62a_200015260668_100011215482 [0,1,0,0,0,0|3,0,0]=4 201 B9R0.45 C=CCCCNC/C=C/C 34a_100000700776_100102629194 [0,1,0,0,0,0|3,0,0]=4 202 B9R0.45 C=CCCCNCC=CC 2230a_100000700776_100000070051 [0,1,0,0,0,0|3,0,0]=4 203 B9R0.45 C=CCCCNCC=CC 34a_100000700776_100000070051 [0,1,0,0,0,0|3,0,0]=4 204 B9R0.45 C=CCCCNCCC=C 2230a_100000700776_100000754431 [0,1,0,0,0,0|3,0,0]=4 205 B9R0.45 C=CCCCNCCC=C 2230a_100015191253_100011713584 [0,1,0,0,0,0|3,0,0]=4 206 B9R0.45 C=CCCCNCCC=C 34a_100000700776_100000754431 [0,1,0,0,0,0|3,0,0]=4 207 B9R0.45 C=CCCCOC/C=C/C 34a_100000758997_100102629194 [0,1,0,0,0,0|2,1,0]=4 208 B9R0.45 C=CCCCOC/C=C/C 34a_100016270725_100000757094 [0,1,0,0,0,0|2,1,0]=4 209 B9R0.45 C=CCCCOC/C=C/C 7a_100000758997_100102629194 [0,1,0,0,0,0|2,1,0]=4 210 B9R0.45 C=CCCCOCC=CC 34a_100000758997_100000070051 [0,1,0,0,0,0|2,1,0]=4 211 B9R0.45 C=CCCCOCC=CC 7a_100000758997_100000070051 [0,1,0,0,0,0|2,1,0]=4 212 B9R0.45 C=CCCCOCCC=C 34a_100000758997_100000754431 [0,1,0,0,0,0|2,1,0]=4 213 B9R0.45 C=CCCCOCCC=C 34a_100011205117_100000757094 [0,1,0,0,0,0|2,1,0]=4 214 B9R0.45 C=CCCCOCCC=C 7a_100000758997_100000754431 [0,1,0,0,0,0|2,1,0]=4 215 B9R0.45 C=CCCCSC/C=C/C 62a_100011713584_100102629194 [0,1,0,0,0,0|2,0,0]=3 216 B9R0.45 C=CCCCSC/C=C/C 62a_100102629194_100000757094 [0,1,0,0,0,0|2,0,0]=3 217 B9R0.45 C=CCCCSCC=CC 62a_100000070051_100000757094 [0,1,0,0,0,0|2,0,0]=3 218 B9R0.45 C=CCCCSCC=CC 62a_100011713584_100000070051 [0,1,0,0,0,0|2,0,0]=3 219 B9R0.45 C=CCCCSCCC=C 62a_100000754431_100000757094 [0,1,0,0,0,0|2,0,0]=3 220 B9R0.45 C=CCCCSCCC=C 62a_100011713584_100000754431 [0,1,0,0,0,0|2,0,0]=3 221 B9R0.45 C=CCCNCCOC=C 2230a_100015191253_100000039644 [0,1,0,0,0,0|3,0,0]=4 222 B9R0.45 C=CCCOCC/C=C/C 34a_100016278192_100000754431 [0,1,0,0,0,0|2,1,0]=4 223 B9R0.45 C=CCCOCCOC=C 34a_100000033082_100000754431 [0,1,0,0,0,0|2,1,0]=4 224 B9R0.45 C=CCCOCCOC=C 34a_100011205117_100000039644 [0,1,0,0,0,0|2,1,0]=4 225 B9R0.45 C=CCCSCCCC=O 62a_100000754431_200011292268 [0,1,0,0,0,0|2,0,1]=4 226 B9R0.45 C=CCCSCCCC=O 62a_200011292268_100000754431 [0,1,0,0,0,0|2,0,1]=4 227 B9R0.45 C=CCCSCCOC=C 62a_100000039644_100000754431 [0,1,0,0,0,0|2,0,0]=3 228 B9R0.45 C=CCCSCCOC=C 62a_100000754431_100000039644 [0,1,0,0,0,0|2,0,0]=3 229 B9R0.45 C=CCNCCCOC=C 2230a_100000210767_100000210623 [0,1,0,0,0,0|3,0,0]=4 230 B9R0.45 C=CCNCCCOC=C 34a_100000210767_100015514636 [0,1,0,0,0,0|3,0,0]=4 231 B9R0.45 C=CCOCCCC=CC 34a_100020645299_100015514636 [0,1,0,0,0,0|2,1,0]=4 232 B9R0.45 C=CCOCCOCC=C 34a_100000037705_100015514636 [0,1,0,0,0,0|1,2,0]=4 233 B9R0.45 C=CCOCCOCC=C 7a_100000037705_100015514636 [0,1,0,0,0,0|1,2,0]=4 234 B9R0.45 C=CCSCCCCC=O 62a_100000139335_100000210623 [0,1,0,0,0,0|2,0,1]=4 235 B9R0.45 C=CCSCCCCC=O 62a_100000210623_100000139335 [0,1,0,0,0,0|2,0,1]=4 236 B9R0.45 C=COCCSC/C=C/C 62a_100000039644_100102629194 [0,1,0,0,0,0|3,0,0]=4 237 B9R0.45 C=COCCSC/C=C/C 62a_100102629194_100000039644 [0,1,0,0,0,0|3,0,0]=4 238 B9R0.45 C=COCCSCC=CC 62a_100000039644_100000070051 [0,1,0,0,0,0|3,0,0]=4 239 B9R0.45 C=COCCSCC=CC 62a_100000070051_100000039644 [0,1,0,0,0,0|3,0,0]=4 240 B9R0.45 CC=CCSCCCC=O 62a_100000070051_200011292268 [0,1,0,0,0,0|3,0,0]=4 241 B9R0.45 CC=CCSCCCC=O 62a_200011292268_100000070051 [0,1,0,0,0,0|3,0,0]=4 242 B9R0.46 C=CC(C)SCCCC=O 62a_100011215867_200011292268 [0,1,0,0,0,0|3,0,0]=4 243 B9R0.46 C=CCCCOC(C)C=C 34a_100000695699_100000757094 [0,1,0,0,0,0|2,1,0]=4 244 B9R0.46 C=CCCCSC(C)C=C 62a_100011215867_100000757094 [0,1,0,0,0,0|2,0,0]=3 245 B9R0.46 C=CCCNCC(O)C=C 2230a_100015191253_100000730141 [0,1,0,0,0,0|3,0,0]=4 246 B9R0.46 C=CCCOCC(C)C=C 34a_100011215527_100000754431 [0,1,0,0,0,0|2,1,0]=4 247 B9R0.46 C=CCCOCC(C)C=C 7a_100011215527_100000754431 [0,1,0,0,0,0|2,1,0]=4 248 B9R0.46 C=CCCOCC(O)C=C 34a_100011205117_100000730141 [0,1,0,0,0,0|2,1,0]=4 249 B9R0.46 C=CCCOC[C@@H](N)C=C 34a_100016989147_100000754431 [0,1,0,0,0,0|2,1,0]=4 250 B9R0.46 C=CCCSCC(O)C=C 62a_100000730141_100000754431 [0,1,0,0,0,0|2,0,0]=3 251 B9R0.46 C=CCCSCC(O)C=C 62a_100000754431_100000730141 [0,1,0,0,0,0|2,0,0]=3 252 B9R0.46 C=COCCSC(C)C=C 62a_100011215867_100000039644 [0,1,0,0,0,0|3,0,0]=4 253 B9R1.12 C=CCSc1cc[nH]n1 62a_100000062575_100000210623 [0,0,0,1,0,0|3,0,0]=4 254 B9R1.12 C=CCSc1cc[nH]n1 62a_100000210623_100000062575 [0,0,0,1,0,0|3,0,0]=4 255 B9R1.12 C=CCSc1ccco1 62a_100000210623_100009814098 [0,0,0,1,0,0|1,1,1]=4 256 B9R1.12 C=CCSc1ccco1 62a_100009814098_100000210623 [0,0,0,1,0,0|1,1,1]=4 257 B9R1.12 C=CCSc1cccs1 62a_100000210623_100011215356 [0,0,0,1,0,0|1,0,1]=3 258 B9R1.12 C=CCSc1cccs1 62a_100011215356_100000210623 [0,0,0,1,0,0|1,0,1]=3 259 B9R1.12 C=CCSc1ccoc1 62a_100000210623_100011215275 [0,0,0,1,0,0|3,0,0]=4 260 B9R1.12 C=CCSc1ccoc1 62a_100011215275_100000210623 [0,0,0,1,0,0|3,0,0]=4 261 B9R1.12 C=CCSc1ccon1 62a_100000210623_100009818083 [0,0,0,1,0,0|3,0,0]=4 262 B9R1.12 C=CCSc1ccon1 62a_100009818083_100000210623 [0,0,0,1,0,0|3,0,0]=4 263 B9R1.12 C=CCSc1ccsc1 62a_100000210623_100000738268 [0,0,0,1,0,0|3,0,0]=4 264 B9R1.12 C=CCSc1ccsc1 62a_100000738268_100000210623 [0,0,0,1,0,0|3,0,0]=4 265 B9R1.12 C=CCSc1ccsn1 62a_100000210623_100009818082 [0,0,0,1,0,0|3,0,0]=4 266 B9R1.12 C=CCSc1ccsn1 62a_100009818082_100000210623 [0,0,0,1,0,0|3,0,0]=4 267 B9R1.12 C=CCSc1cncs1 62a_100000210623_100011934649 [0,0,0,1,0,0|2,0,1]=4 268 B9R1.12 C=CCSc1cncs1 62a_100011934649_100000210623 [0,0,0,1,0,0|2,0,1]=4 269 B9R1.12 C=CCSc1nccs1 62a_100000210623_100000211983 [0,0,0,1,0,0|2,0,1]=4 270 B9R1.12 C=CCSc1nccs1 62a_100000211983_100000210623 [0,0,0,1,0,0|2,0,1]=4 271 B9R1.12 C=CCSc1ncns1 62a_100000210623_100000693119 [0,0,0,1,0,0|3,0,0]=4 272 B9R1.12 C=CCSc1ncns1 62a_100000693119_100000210623 [0,0,0,1,0,0|3,0,0]=4 273 B9R1.12 O=CCSc1cccs1 62a_100011215356_200015260668 [0,0,0,1,0,0|2,0,1]=4 274 B9R1.12 O=CCSc1cccs1 62a_200015260668_100011215356 [0,0,0,1,0,0|2,0,1]=4 275 B9R1.39 C=CCSC1CCC1=O 62a_100000210623_100009892977 [0,0,0,1,0,0|3,0,0]=4 276 B9R1.39 C=CCSC1CCC1=O 62a_100009892977_100000210623 [0,0,0,1,0,0|3,0,0]=4 277 B6R0.6 C#CCSCC=C 62a_100000038162_100000210623 [2,0,0,0,0,0|0,0,2]=4 278 B6R0.6 C=CCCCSC 62a_100011713584_200000210301 [2,0,0,0,0,0|2,0,0]=4 279 B6R0.6 C=CCCCSC 62a_200000210301_100000757094 [2,0,0,0,0,0|2,0,0]=4 280 B6R0.6 C=CCCCS[13CH3] 62a_100011713584_200025704644 [2,0,0,0,0,0|2,0,0]=4 281 B6R0.6 C=CCCCS[13CH3] 62a_200025704644_100000757094 [2,0,0,0,0,0|2,0,0]=4 282 B6R0.6 C=CCCSCC 62a_100000210202_100000754431 [2,0,0,0,0,0|1,0,1]=4 283 B6R0.6 C=CCCSCC 62a_100000754431_100000210202 [2,0,0,0,0,0|1,0,1]=4 284 B6R0.6 C=CCCSCF 62a_100000754431_100015361967 [2,0,0,0,0,0|2,0,0]=4 285 B6R0.6 C=CCCSCF 62a_100015361967_100000754431 [2,0,0,0,0,0|2,0,0]=4 286 B6R0.6 C=CCNCC=C 2230a_100020586998_100000210623 [2,0,0,0,0,0|1,0,0]=3 287 B6R0.6 C=CCNCC=O 2230a_100020586998_200015260668 [2,0,0,0,0,0|2,0,0]=4 288 B6R0.6 C=CCNCSC 2230a_100020586998_100011218213 [2,0,0,0,0,0|2,0,0]=4 289 B6R0.6 C=CCOCC=C 34a_200000210373_100015514636 [2,0,0,0,0,0|0,1,0]=3 290 B6R0.6 C=CCOCC=O 34a_200000210373_200009817547 [2,0,0,0,0,0|1,1,0]=4 291 B6R0.6 C=CCOCSC 34a_200000210373_100011218213 [2,0,0,0,0,0|1,1,0]=4 292 B6R0.6 C=CCSCC#N 62a_100000210623_100011215382 [2,0,0,0,0,0|1,0,1]=4 293 B6R0.6 C=CCSCC#N 62a_100011215382_100000210623 [2,0,0,0,0,0|1,0,1]=4 294 B6R0.6 C=CCSCC=C 62a_100000210623_100000210623 [2,0,0,0,0,0|0,0,0]=2 295 B6R0.6 C=CCSCC=O 62a_100000210623_200015260668 [2,0,0,0,0,0|1,0,0]=3 296 B6R0.6 C=CCSCC=O 62a_200015260668_100000210623 [2,0,0,0,0,0|1,0,0]=3 297 B6R0.6 C=CCSCCC 62a_100000210303_100000210623 [2,0,0,0,0,0|0,0,2]=4 298 B6R0.6 C=CCSCCC 62a_100000210623_100000210303 [2,0,0,0,0,0|0,0,2]=4 299 B6R0.6 C=CCSCCF 62a_100000210623_100011217306 [2,0,0,0,0,0|1,0,1]=4 300 B6R0.6 C=CCSCCF 62a_100011217306_100000210623 [2,0,0,0,0,0|1,0,1]=4 301 B6R0.6 C=CCSCCO 62a_100000210623_100000211926 [2,0,0,0,0,0|1,0,1]=4 302 B6R0.6 C=CCSCCO 62a_100000211926_100000210623 [2,0,0,0,0,0|1,0,1]=4 303 B6R0.6 C=CCSCOC 62a_100000210623_100000766300 [2,0,0,0,0,0|1,0,1]=4 304 B6R0.6 C=CCSCOC 62a_100000766300_100000210623 [2,0,0,0,0,0|1,0,1]=4 305 B6R0.6 C=CCSCSC 62a_100000210623_100011218213 [2,0,0,0,0,0|1,0,0]=3 306 B6R0.6 C=CCSCSC 62a_100011218213_100000210623 [2,0,0,0,0,0|1,0,0]=3 307 B6R0.6 CSCSCC=O 62a_100011218213_200015260668 [2,0,0,0,0,0|2,0,0]=4 308 B6R0.6 CSCSCC=O 62a_200015260668_100011218213 [2,0,0,0,0,0|2,0,0]=4 309 B6R0.6 O=CCSCC=O 62a_200015260668_200015260668 [2,0,0,0,0,0|2,0,0]=4 310 B8R0.1 C=CCCC(=O)CC=C 1458a_100000210193_100000754431 [1,1,0,0,0,0|2,0,0]=4 311 B8R0.1 C=CCCC(=O)CC=C 1458a_100000749702_100000210623 [1,1,0,0,0,0|2,0,0]=4 312 B8R0.1 C=CCCN(C)CC=C 2230a_100000225617_100000754431 [1,1,0,0,0,0|2,0,0]=4 313 B8R0.1 C=CCCN(C)CC=C 2230a_100020639649_100000210623 [1,1,0,0,0,0|2,0,0]=4 314 B8R0.1 C=CCCN(C)CC=C 269982a_100000225617_100000754431 [1,1,0,0,0,0|2,0,0]=4 315 B8R0.1 C=CCCN(C)CC=C 269982a_100020639649_100000210623 [1,1,0,0,0,0|2,0,0]=4 316 B8R0.1 C=CCNC(=O)CC=C 1626a_100020586998_100000210193 [1,1,0,0,0,0|2,0,0]=4 317 B8R0.1 C=CCNC(=O)CC=C 240690a_100020586998_100000210193 [1,1,0,0,0,0|2,0,0]=4 318 B8R0.1 C=CCNC(=O)CC=C 527a_100020586998_100000210193 [1,1,0,0,0,0|2,0,0]=4 319 B8R0.1 C=CCO[C@H](C)CC=C 34a_100000731007_100015514636 [1,1,0,0,0,0|1,1,0]=4 320 B8R0.1 C=CCO[C@H](C)CC=C 7a_100000731007_100015514636 [1,1,0,0,0,0|1,1,0]=4 321 B8R0.6 C=CC(O)CSCC=O 62a_100000730141_200015260668 [1,1,0,0,0,0|2,0,0]=4 322 B8R0.6 C=CC(O)CSCC=O 62a_200015260668_100000730141 [1,1,0,0,0,0|2,0,0]=4 323 B8R0.6 C=CCCOC(C)C=C 34a_100000695699_100000754431 [1,1,0,0,0,0|1,1,0]=4 324 B8R0.6 C=CCCSC(C)C=C 62a_100011215867_100000754431 [1,1,0,0,0,0|1,0,0]=3 325 B8R0.6 C=CCNCC(O)C=C 2230a_100020586998_100000730141 [1,1,0,0,0,0|2,0,0]=4 326 B8R0.6 C=CCOCC(C)C=C 34a_100011215527_100015514636 [1,1,0,0,0,0|1,1,0]=4 327 B8R0.6 C=CCOCC(C)C=C 7a_100011215527_100015514636 [1,1,0,0,0,0|1,1,0]=4 328 B8R0.6 C=CCOCC(O)C=C 34a_200000210373_100000730141 [1,1,0,0,0,0|1,1,0]=4 329 B8R0.6 C=CCOC[C@@H](N)C=C 34a_100016989147_100015514636 [1,1,0,0,0,0|1,1,0]=4 330 B8R0.6 C=CCSCC(O)C=C 62a_100000210623_100000730141 [1,1,0,0,0,0|1,0,0]=3 331 B8R0.6 C=CCSCC(O)C=C 62a_100000730141_100000210623 [1,1,0,0,0,0|1,0,0]=3 332 B8R0.7 C=C(C)CCSCC=O 62a_100000730704_200015260668 [1,1,0,0,0,0|2,0,0]=4 333 B8R0.7 C=C(C)CCSCC=O 62a_200015260668_100000730704 [1,1,0,0,0,0|2,0,0]=4 334 B8R0.7 C=CCCNCC(=C)C 2230a_100015191253_100000748629 [1,1,0,0,0,0|2,0,0]=4 335 B8R0.7 C=CCCNCC(=C)F 2230a_100015191253_100009893438 [1,1,0,0,0,0|2,0,0]=4 336 B8R0.7 C=CCCOCC(=C)C 34a_100000210245_100000754431 [1,1,0,0,0,0|1,1,0]=4 337 B8R0.7 C=CCCOCC(=C)C 34a_100011205117_100000748629 [1,1,0,0,0,0|1,1,0]=4 338 B8R0.7 C=CCCOCC(=C)F 34a_100011205117_100009893438 [1,1,0,0,0,0|1,1,0]=4 339 B8R0.7 C=CCCOCC(=C)F 34a_200010262243_100000754431 [1,1,0,0,0,0|1,1,0]=4 340 B8R0.7 C=CCCSCC(=C)C 62a_100000748629_100000754431 [1,1,0,0,0,0|1,0,0]=3 341 B8R0.7 C=CCCSCC(=C)C 62a_100000754431_100000211660 [1,1,0,0,0,0|1,0,0]=3 342 B8R0.7 C=CCCSCC(=C)F 62a_100000042424_100000754431 [1,1,0,0,0,0|1,0,0]=3 343 B8R0.7 C=CCCSCC(=C)F 62a_100000754431_100000042424 [1,1,0,0,0,0|1,0,0]=3 344 B8R0.7 C=CCCSCC(=O)N 62a_100000747473_100000754431 [1,1,0,0,0,0|2,0,0]=4 345 B8R0.7 C=CCCSCC(=O)N 62a_100000754431_100000747473 [1,1,0,0,0,0|2,0,0]=4 346 B8R0.7 C=CCCSCC(=O)[O-] 62a_100000754431_100020667443 [1,1,0,0,0,0|2,0,0]=4 347 B8R0.7 C=CCCSCC(=O)[O-] 62a_100020667443_100000754431 [1,1,0,0,0,0|2,0,0]=4 348 B8R0.7 C=CCNCCC(=C)C 2230a_100020586998_100000730704 [1,1,0,0,0,0|2,0,0]=4 349 B8R0.7 C=CCOCCC(=C)Br 34a_100009813270_100015514636 [1,1,0,0,0,0|1,1,0]=4 350 B8R0.7 C=CCOCCC(=C)C 34a_100000764851_100015514636 [1,1,0,0,0,0|1,1,0]=4 351 B8R0.7 C=CCOCCC(=C)C 34a_200000210373_100000730704 [1,1,0,0,0,0|1,1,0]=4 352 B8R0.7 C=CCSCCC(=C)C 62a_100000210623_100000730704 [1,1,0,0,0,0|1,0,0]=3 353 B8R0.7 C=CCSCCC(=C)C 62a_100000730704_100000210623 [1,1,0,0,0,0|1,0,0]=3 354 B8R0.7 C=CCSCCC(=O)C 62a_100000053229_100000210623 [1,1,0,0,0,0|1,0,1]=4 355 B8R0.7 C=CCSCCC(=O)C 62a_100000210623_100000053229 [1,1,0,0,0,0|1,0,1]=4 356 B8R0.7 C=CCSCCC(=O)N 62a_100000210623_100000744528 [1,1,0,0,0,0|2,0,0]=4 357 B8R0.7 C=CCSCCC(=O)N 62a_100000744528_100000210623 [1,1,0,0,0,0|2,0,0]=4 358 B10R0.4 C=CCCCCSCC(=C)C 62a_100000748629_100011215482 [0,2,0,0,0,0|2,0,0]=4 359 B10R0.4 C=CCCCCSCC(=C)C 62a_100011215482_100000211660 [0,2,0,0,0,0|2,0,0]=4 360 B10R0.4 C=CCCCCSCC(=C)F 62a_100000042424_100011215482 [0,2,0,0,0,0|2,0,0]=4 361 B10R0.4 C=CCCCCSCC(=C)F 62a_100011215482_100000042424 [0,2,0,0,0,0|2,0,0]=4 362 B10R0.4 C=CCCCSCC=C(C)C 62a_100000761012_100000757094 [0,2,0,0,0,0|2,0,0]=4 363 B10R0.4 C=CCCCSCC=C(C)C 62a_100011713584_100000761012 [0,2,0,0,0,0|2,0,0]=4 364 B10R0.4 C=CCCCSCCC(=C)C 62a_100000730704_100000757094 [0,2,0,0,0,0|2,0,0]=4 365 B10R0.4 C=CCCCSCCC(=C)C 62a_100011713584_100000730704 [0,2,0,0,0,0|2,0,0]=4 366 B10R0.4 C=CCCSCCC=C(C)C 62a_100000754431_100011217483 [0,2,0,0,0,0|2,0,0]=4 367 B10R0.4 C=CCCSCCC=C(C)C 62a_100011217483_100000754431 [0,2,0,0,0,0|2,0,0]=4 368 B10R0.4 C=CCCSCCC=C(F)F 62a_100000754431_200009816681 [0,2,0,0,0,0|2,0,0]=4 369 B10R0.4 C=CCCSCCC=C(F)F 62a_200009816681_100000754431 [0,2,0,0,0,0|2,0,0]=4 370 B10R0.4 C=COCCSCCC(=C)C 62a_100000039644_100000730704 [0,2,0,0,0,0|2,0,0]=4 371 B10R0.4 C=COCCSCCC(=C)C 62a_100000730704_100000039644 [0,2,0,0,0,0|2,0,0]=4 372 B10R0.6 C=CCSCC(=O)CC(=C)C 1458a_100000230395_100000748629 [0,2,0,0,0,0|2,0,0]=4 373 B10R0.6 C=CCSCC(=O)CC(=C)F 1458a_100000230395_100009893438 [0,2,0,0,0,0|2,0,0]=4 374 B10R0.55 C=CC(O)CSCCC(=C)C 62a_100000730141_100000730704 [0,2,0,0,0,0|2,0,0]=4 375 B10R0.55 C=CC(O)CSCCC(=C)C 62a_100000730704_100000730141 [0,2,0,0,0,0|2,0,0]=4 376 B10R0.74 C=CCCCCSC(C)C=C 62a_100011215867_100011215482 [0,2,0,0,0,0|2,0,0]=4 377 B10R0.74 C=CCCCSCC(=C)C#N 62a_100011713584_100000694840 [0,2,0,0,0,0|2,0,0]=4 378 B10R0.74 C=CCCCSCC(O)C=C 62a_100000730141_100000757094 [0,2,0,0,0,0|2,0,0]=4 379 B10R0.74 C=CCCCSCC(O)C=C 62a_100011713584_100000730141 [0,2,0,0,0,0|2,0,0]=4 380 B10R0.74 C=COCCSCC(O)C=C 62a_100000039644_100000730141 [0,2,0,0,0,0|2,0,0]=4 381 B10R0.74 C=COCCSCC(O)C=C 62a_100000730141_100000039644 [0,2,0,0,0,0|2,0,0]=4 382 B10R0.97 C=C(C)CCSCCC(=C)C 62a_100000730704_100000730704 [0,2,0,0,0,0|2,0,0]=4 383 B10R0.19 C=CCSC(C)C(=O)CC=C 1458a_100000230602_100000210623 [0,2,0,0,0,0|2,0,0]=4 384 B10R0.91 C=CCCC(=O)CSCC=C 1458a_100000230395_100000754431 [0,2,0,0,0,0|2,0,0]=4 385 B10R0.91 C=CCNC(=O)CSCC=C 1626a_100020586998_100000230395 [0,2,0,0,0,0|2,0,0]=4 386 B10R0.91 C=CCNC(=O)CSCC=C 240690a_100020586998_100000230395 [0,2,0,0,0,0|2,0,0]=4 387 B10R0.91 C=CCNC(=O)CSCC=C 527a_100020586998_100000230395 [0,2,0,0,0,0|2,0,0]=4 388 B10R0.91 C=CCNC(=O)CSCC=C 62a_100000183597_100000210623 [0,2,0,0,0,0|2,0,0]=4 389 B10R0.91 C=CCNC(=O)CSCC=C 62a_100000210623_100000183597 [0,2,0,0,0,0|2,0,0]=4 390 B10R0.91 C=CCOC(=O)CSCC=C 62a_100000033060_100000210623 [0,2,0,0,0,0|1,1,0]=4 391 B10R0.91 C=CCOC(=O)CSCC=C 62a_100000210623_100000033060 [0,2,0,0,0,0|1,1,0]=4 392 B10R0.91 C=CCSCC(=O)C/C=C/C 1458a_100000230395_100102629194 [0,2,0,0,0,0|2,0,0]=4 393 B10R0.91 C=CCSCC(=O)CC=CC 1458a_100000230395_100000070051 [0,2,0,0,0,0|2,0,0]=4 394 B10R0.156 C=CCSC[Si](C)(C)CC=C 62a_100000046978_100000210623 [0,2,0,0,0,0|2,0,0]=4 395 B10R0.156 C=CCSC[Si](C)(C)CC=C 62a_100000210623_100000046978 [0,2,0,0,0,0|2,0,0]=4 396 B10R0.71 C=CCCCCCSCC=C 62a_100000210623_100000700193 [0,2,0,0,0,0|2,0,0]=4 397 B10R0.71 C=CCCCCCSCC=C 62a_100000700193_100000210623 [0,2,0,0,0,0|2,0,0]=4 398 B10R0.71 C=CCCCCSC/C=C/C 62a_100011215482_100102629194 [0,2,0,0,0,0|2,0,0]=4 399 B10R0.71 C=CCCCCSC/C=C/C 62a_100102629194_100011215482 [0,2,0,0,0,0|2,0,0]=4 400 B10R0.71 C=CCCCCSCC=CC 62a_100000070051_100011215482 [0,2,0,0,0,0|2,0,0]=4 401 B10R0.71 C=CCCCCSCC=CC 62a_100011215482_100000070051 [0,2,0,0,0,0|2,0,0]=4 402 B10R0.71 C=CCCCCSCCC=C 62a_100000754431_100011215482 [0,2,0,0,0,0|2,0,0]=4 403 B10R0.71 C=CCCCCSCCC=C 62a_100011215482_100000754431 [0,2,0,0,0,0|2,0,0]=4 404 B10R0.71 C=CCCCSC/C=C\CC 62a_100011713584_100103147603 [0,2,0,0,0,0|2,0,0]=4 405 B10R0.71 C=CCCCSC/C=C\CC 62a_100103147603_100000757094 [0,2,0,0,0,0|2,0,0]=4 406 B10R0.71 C=CCCCSCCCC=C 62a_100011713584_100000757094 [0,2,0,0,0,0|2,0,0]=4 407 B10R0.71 C=CCCCSCCOC=C 62a_100000039644_100000757094 [0,2,0,0,0,0|2,0,0]=4 408 B10R0.71 C=CCCCSCCOC=C 62a_100011713584_100000039644 [0,2,0,0,0,0|2,0,0]=4 409 B10R0.71 C=CCCSCC/C=C\CC 62a_100000754431_100015370543 [0,2,0,0,0,0|2,0,0]=4 410 B10R0.71 C=CCCSCC/C=C\CC 62a_100015370543_100000754431 [0,2,0,0,0,0|2,0,0]=4 411 B10R0.71 C=COCCSCCOC=C 62a_100000039644_100000039644 [0,2,0,0,0,0|2,0,0]=4 412 B10R0.59 C=CC(O)CSCC(O)C=C 62a_100000730141_100000730141 [0,2,0,0,0,0|2,0,0]=4 413 B10R0.62 C=CCCCSC(F)(F)C=C 62a_100009814244_100000757094 [0,2,0,0,0,0|2,0,0]=4 414 B10R0.62 C=CCCCSC(F)(F)C=C 62a_100011713584_100009814244 [0,2,0,0,0,0|2,0,0]=4 415 B10R1.16 C=CCSc1cc(cs1)C 62a_100000210623_100009876951 [0,1,0,1,0,0|1,0,1]=4 416 B10R1.16 C=CCSc1cc(cs1)C 62a_100009876951_100000210623 [0,1,0,1,0,0|1,0,1]=4 417 B10R1.16 C=CCSc1cc(ns1)C 62a_100000210623_100009815735 [0,1,0,1,0,0|2,0,0]=4 418 B10R1.16 C=CCSc1cc(ns1)C 62a_100009815735_100000210623 [0,1,0,1,0,0|2,0,0]=4 419 B10R1.16 C=CCSc1ccc(s1)Br 62a_100000210623_100010197418 [0,1,0,1,0,0|1,0,1]=4 420 B10R1.16 C=CCSc1ccc(s1)Br 62a_100010197418_100000210623 [0,1,0,1,0,0|1,0,1]=4 421 B10R1.16 C=CCSc1ccc(s1)C 62a_100000031368_100000210623 [0,1,0,1,0,0|1,0,1]=4 422 B10R1.16 C=CCSc1ccc(s1)C 62a_100000210623_100000031368 [0,1,0,1,0,0|1,0,1]=4 423 B10R1.66 C=C(C)CSc1cccs1 62a_100000748629_100011215356 [0,1,0,1,0,0|1,0,1]=4 424 B10R1.66 C=C(C)CSc1cccs1 62a_100011215356_100000211660 [0,1,0,1,0,0|1,0,1]=4 425 B10R1.66 C=C(F)CSc1cccs1 62a_100000042424_100011215356 [0,1,0,1,0,0|1,0,1]=4 426 B10R1.66 C=C(F)CSc1cccs1 62a_100011215356_100000042424 [0,1,0,1,0,0|1,0,1]=4 427 B10R1.21 C/C=C/CSc1cccs1 62a_100011215356_100102629194 [0,1,0,1,0,0|1,0,1]=4 428 B10R1.21 C/C=C/CSc1cccs1 62a_100102629194_100011215356 [0,1,0,1,0,0|1,0,1]=4 429 B10R1.21 C=CCCSc1cccs1 62a_100000754431_100011215356 [0,1,0,1,0,0|1,0,1]=4 430 B10R1.21 C=CCCSc1cccs1 62a_100011215356_100000754431 [0,1,0,1,0,0|1,0,1]=4 431 B10R1.21 CC=CCSc1cccs1 62a_100000070051_100011215356 [0,1,0,1,0,0|1,0,1]=4 432 B10R1.21 CC=CCSc1cccs1 62a_100011215356_100000070051 [0,1,0,1,0,0|1,0,1]=4 433 B10R1.29 C=CCSc1sccc1Br 62a_100000210623_100012361411 [0,1,0,1,0,0|1,0,1]=4 434 B10R1.29 C=CCSc1sccc1Br 62a_100012361411_100000210623 [0,1,0,1,0,0|1,0,1]=4 435 B10R1.29 C=CCSc1sccc1C 62a_100000210623_100010247149 [0,1,0,1,0,0|1,0,1]=4 436 B10R1.29 C=CCSc1sccc1C 62a_100010247149_100000210623 [0,1,0,1,0,0|1,0,1]=4 437 B10R1.17 C=CCSC1C=CCCC1 62a_100000210623_100000751183 [0,1,0,1,0,0|2,0,0]=4 438 B10R1.17 C=CCSC1C=CCCC1 62a_100000751183_100000210623 [0,1,0,1,0,0|2,0,0]=4 439 B10R1.27 C=CC(C)Sc1cccs1 62a_100011215867_100011215356 [0,1,0,1,0,0|1,0,1]=4