0 B8R0.7 C#CCCCCC(=O)C 1458a_100000070787_100010269958 [0,0,0,0,0,0|0,0,2]=2 1 B8R0.7 C#CCCCCC(=O)C 1458a_100000696528_200000210301 [0,0,0,0,0,0|0,0,2]=2 2 B8R0.7 C#CCCCCC(=O)[13CH3] 1458a_100000696528_200025704644 [0,0,0,0,0,0|0,0,2]=2 3 B8R0.7 C#CCCCCN(C)C 2230a_100102631434_100010269958 [0,0,0,0,0,0|2,0,2]=4 4 B8R0.7 C#CCCCCN(C)C 269982a_100102631434_100010269958 [0,0,0,0,0,0|2,0,2]=4 5 B8R0.7 C#CCCCNC(=O)C 11a_100000718082_100015343762 [0,0,0,0,0,0|1,0,2]=3 6 B8R0.7 C#CCCCNC(=O)C 1626a_100000718082_100015343762 [0,0,0,0,0,0|1,0,2]=3 7 B8R0.7 C#CCCCNC(=O)C 240690a_100000718082_100015343762 [0,0,0,0,0,0|1,0,2]=3 8 B8R0.7 C#CCCCNC(=O)C 527a_100000718082_100103153847 [0,0,0,0,0,0|1,0,2]=3 9 B8R0.7 C#CCCNCC(=C)C 34a_100000755551_100000748629 [0,0,0,0,0,0|2,0,2]=4 10 B8R0.7 C#CCCNCC(=O)N 2230a_100000711301_100000688953 [0,0,0,0,0,0|2,0,2]=4 11 B8R0.7 C#CCCNCC(=O)N 34a_100000755551_100000187820 [0,0,0,0,0,0|2,0,2]=4 12 B8R0.7 C#CCCNCC(=O)O 269956a_100016091260_100000688953 [0,0,0,0,0,0|2,0,2]=4 13 B8R0.7 C#CCCNCC(=O)[O-] 34a_100000755551_100020667443 [0,0,0,0,0,0|2,0,2]=4 14 B8R0.7 C#CCCOCC(=C)C 34a_100000210245_100000688953 [0,0,0,0,0,0|2,0,2]=4 15 B8R0.7 C#CCCOCC(=C)C 34a_100011215631_100000748629 [0,0,0,0,0,0|2,0,2]=4 16 B8R0.7 C#CCCOCC(=O)C 34a_100000211253_100000688953 [0,0,0,0,0,0|1,0,2]=3 17 B8R0.7 C#CCCOCC(=O)N 34a_100011215631_100000187820 [0,0,0,0,0,0|2,0,2]=4 18 B8R0.7 C#CCCOCC(=O)[O-] 34a_100011215631_100020667443 [0,0,0,0,0,0|2,0,2]=4 19 B8R0.7 C#CCCSCC(=C)C 62a_100000688953_100000211660 [0,0,0,0,0,0|2,0,2]=4 20 B8R0.7 C#CCCSCC(=C)C 62a_100000748629_100000688953 [0,0,0,0,0,0|2,0,2]=4 21 B8R0.7 C#CCCSCC(=O)N 62a_100000688953_100000747473 [0,0,0,0,0,0|2,0,2]=4 22 B8R0.7 C#CCCSCC(=O)N 62a_100000747473_100000688953 [0,0,0,0,0,0|2,0,2]=4 23 B8R0.7 C#CCCSCC(=O)[O-] 62a_100000688953_100020667443 [0,0,0,0,0,0|2,0,2]=4 24 B8R0.7 C#CCCSCC(=O)[O-] 62a_100020667443_100000688953 [0,0,0,0,0,0|2,0,2]=4 25 B8R0.7 C#CCNCCC(=C)C 34a_100000212058_100000730704 [0,0,0,0,0,0|2,0,2]=4 26 B8R0.7 C#CCNCCC(=O)N 34a_100000212058_100000731001 [0,0,0,0,0,0|2,0,2]=4 27 B8R0.7 C#CCNCOC(=O)C 34a_100000212058_100009813279 [0,0,0,0,0,0|2,0,2]=4 28 B8R0.7 C#CCOCCC(=C)C 34a_100000210247_100000730704 [0,0,0,0,0,0|2,0,2]=4 29 B8R0.7 C#CCOCCC(=C)C 34a_100000764851_100000184674 [0,0,0,0,0,0|2,0,2]=4 30 B8R0.7 C#CCOCCC(=O)C 1458a_100000070787_100010402529 [0,0,0,0,0,0|1,0,2]=3 31 B8R0.7 C#CCOCCC(=O)C 1458a_100000693358_200000210301 [0,0,0,0,0,0|1,0,2]=3 32 B8R0.7 C#CCOCCC(=O)C 34a_100000759926_100000184674 [0,0,0,0,0,0|1,0,2]=3 33 B8R0.7 C#CCOCCC(=O)C 7a_100000759926_100000038162 [0,0,0,0,0,0|1,0,2]=3 34 B8R0.7 C#CCOCCC(=O)N 34a_100000210247_100000731001 [0,0,0,0,0,0|2,0,2]=4 35 B8R0.7 C#CCOCCC(=O)N 34a_100000757172_100000184674 [0,0,0,0,0,0|2,0,2]=4 36 B8R0.7 C#CCOCCC(=O)N 7a_100000757172_100000038162 [0,0,0,0,0,0|2,0,2]=4 37 B8R0.7 C#CCOCCC(=O)[13CH3] 1458a_100000693358_200025704644 [0,0,0,0,0,0|1,0,2]=3 38 B8R0.7 C#CCOCOC(=O)C 34a_100000210247_100009813279 [0,0,0,0,0,0|2,0,2]=4 39 B8R0.7 C#CCSCCC(=C)C 62a_100000038162_100000730704 [0,0,0,0,0,0|2,0,2]=4 40 B8R0.7 C#CCSCCC(=O)C 62a_100000038162_100000053229 [0,0,0,0,0,0|1,0,2]=3 41 B8R0.7 C#CCSCCC(=O)N 62a_100000038162_100000744528 [0,0,0,0,0,0|2,0,2]=4 42 B8R0.7 C#CCSCOC(=O)C 62a_100000038162_100000076356 [0,0,0,0,0,0|2,0,2]=4 43 B8R0.7 C/C=C/CNCC(=O)O 269956a_100016091260_100102629194 [0,0,0,0,0,0|2,0,2]=4 44 B8R0.7 C/C=C/COCC(=O)C 34a_100000211253_100102629194 [0,0,0,0,0,0|1,0,2]=3 45 B8R0.7 C/C=C/COCC(=O)N 34a_100016270725_100000187820 [0,0,0,0,0,0|2,0,2]=4 46 B8R0.7 C/C=C/COCC(=O)[O-] 34a_100016270725_100020667443 [0,0,0,0,0,0|2,0,2]=4 47 B8R0.7 C/C=C/CSCC(=O)N 62a_100000747473_100102629194 [0,0,0,0,0,0|2,0,2]=4 48 B8R0.7 C/C=C/CSCC(=O)N 62a_100102629194_100000747473 [0,0,0,0,0,0|2,0,2]=4 49 B8R0.7 C/C=C/CSCC(=O)[O-] 62a_100020667443_100102629194 [0,0,0,0,0,0|2,0,2]=4 50 B8R0.7 C/C=C/CSCC(=O)[O-] 62a_100102629194_100020667443 [0,0,0,0,0,0|2,0,2]=4 51 B8R0.7 C=C(Br)CCOCCC 34a_100009813270_100000210303 [0,0,0,0,0,0|2,0,1]=3 52 B8R0.7 C=C(Br)CCOCCF 34a_100009813270_100011217306 [0,0,0,0,0,0|3,0,1]=4 53 B8R0.7 C=C(Br)CCOCCO 34a_100009813270_100000211926 [0,0,0,0,0,0|3,0,1]=4 54 B8R0.7 C=C(Br)CCOCSC 34a_100009813270_100011218213 [0,0,0,0,0,0|3,0,1]=4 55 B8R0.7 C=C(C)C=NNCCC 4a_100000740057_100000210575 [0,0,0,0,0,0|3,0,1]=4 56 B8R0.7 C=C(C)CCNCCF 34a_100000724931_100000730704 [0,0,0,0,0,0|3,0,0]=3 57 B8R0.7 C=C(C)CCNCCO 2230a_100016997473_100000730704 [0,0,0,0,0,0|3,0,0]=3 58 B8R0.7 C=C(C)CCNCCO 34a_100016990907_100000730704 [0,0,0,0,0,0|3,0,0]=3 59 B8R0.7 C=C(C)CCOCC=O 34a_100000764851_200009817547 [0,0,0,0,0,0|3,0,1]=4 60 B8R0.7 C=C(C)CCOCCBr 34a_100000211926_100000730704 [0,0,0,0,0,0|3,0,0]=3 61 B8R0.7 C=C(C)CCOCCC 34a_100000210258_100000730704 [0,0,0,0,0,0|2,0,0]=2 62 B8R0.7 C=C(C)CCOCCC 34a_100000764851_100000210303 [0,0,0,0,0,0|2,0,0]=2 63 B8R0.7 C=C(C)CCOCCF 34a_100000764851_100011217306 [0,0,0,0,0,0|3,0,0]=3 64 B8R0.7 C=C(C)CCOCCN 34a_100000210304_100000730704 [0,0,0,0,0,0|3,0,0]=3 65 B8R0.7 C=C(C)CCOCCO 34a_100000764851_100000211926 [0,0,0,0,0,0|3,0,0]=3 66 B8R0.7 C=C(C)CCOCSC 34a_100000764851_100011218213 [0,0,0,0,0,0|3,0,0]=3 67 B8R0.7 C=C(C)CCSCC#N 62a_100000730704_100011215382 [0,0,0,0,0,0|3,0,1]=4 68 B8R0.7 C=C(C)CCSCC#N 62a_100011215382_100000730704 [0,0,0,0,0,0|3,0,1]=4 69 B8R0.7 C=C(C)CCSCC=O 62a_100000730704_200015260668 [0,0,0,0,0,0|3,0,1]=4 70 B8R0.7 C=C(C)CCSCC=O 62a_200015260668_100000730704 [0,0,0,0,0,0|3,0,1]=4 71 B8R0.7 C=C(C)CCSCCC 62a_100000210303_100000730704 [0,0,0,0,0,0|2,0,0]=2 72 B8R0.7 C=C(C)CCSCCC 62a_100000730704_100000210303 [0,0,0,0,0,0|2,0,0]=2 73 B8R0.7 C=C(C)CCSCCF 62a_100000730704_100011217306 [0,0,0,0,0,0|3,0,0]=3 74 B8R0.7 C=C(C)CCSCCF 62a_100011217306_100000730704 [0,0,0,0,0,0|3,0,0]=3 75 B8R0.7 C=C(C)CCSCCO 62a_100000211926_100000730704 [0,0,0,0,0,0|3,0,0]=3 76 B8R0.7 C=C(C)CCSCCO 62a_100000730704_100000211926 [0,0,0,0,0,0|3,0,0]=3 77 B8R0.7 C=C(C)CCSCOC 62a_100000730704_100000766300 [0,0,0,0,0,0|3,0,0]=3 78 B8R0.7 C=C(C)CCSCOC 62a_100000766300_100000730704 [0,0,0,0,0,0|3,0,0]=3 79 B8R0.7 C=C(C)CCSCSC 62a_100000730704_100011218213 [0,0,0,0,0,0|3,0,0]=3 80 B8R0.7 C=C(C)CCSCSC 62a_100011218213_100000730704 [0,0,0,0,0,0|3,0,0]=3 81 B8R0.7 C=C(C)CNCC#CC 2230a_100000685387_100000748629 [0,0,0,0,0,0|2,0,2]=4 82 B8R0.7 C=C(C)CNCC#CC 34a_100000685387_100000748629 [0,0,0,0,0,0|2,0,2]=4 83 B8R0.7 C=C(C)CNCCCC 2230a_100000102301_100000748629 [0,0,0,0,0,0|2,0,0]=2 84 B8R0.7 C=C(C)CNCCCC 7a_106832991798_100000748629 [0,0,0,0,0,0|2,0,0]=2 85 B8R0.7 C=C(C)CNCCCF 2230a_100015189416_100000748629 [0,0,0,0,0,0|3,0,0]=3 86 B8R0.7 C=C(C)CNCCCF 34a_100015189416_100000748629 [0,0,0,0,0,0|3,0,0]=3 87 B8R0.7 C=C(C)CNCCOC 2230a_100000209980_100000748629 [0,0,0,0,0,0|3,0,0]=3 88 B8R0.7 C=C(C)CNCCSC 2230a_100020590264_100000748629 [0,0,0,0,0,0|3,0,0]=3 89 B8R0.7 C=C(C)COC/C=C/C 34a_100000210245_100102629194 [0,0,0,0,0,0|2,0,2]=4 90 B8R0.7 C=C(C)COC/C=C/C 34a_100016270725_100000748629 [0,0,0,0,0,0|2,0,2]=4 91 B8R0.7 C=C(C)COCC#CC 34a_100000210245_100000748600 [0,0,0,0,0,0|2,0,2]=4 92 B8R0.7 C=C(C)COCC#CC 34a_100000761923_100000748629 [0,0,0,0,0,0|2,0,2]=4 93 B8R0.7 C=C(C)COCC=CC 34a_100000210245_100000070051 [0,0,0,0,0,0|2,0,2]=4 94 B8R0.7 C=C(C)COCCCBr 34a_100011217188_100000748629 [0,0,0,0,0,0|3,0,0]=3 95 B8R0.7 C=C(C)COCCCC 34a_100000210227_100000748629 [0,0,0,0,0,0|2,0,0]=2 96 B8R0.7 C=C(C)COCCCC 34a_100000210245_100000210210 [0,0,0,0,0,0|2,0,0]=2 97 B8R0.7 C=C(C)COCCCC 7a_100000210227_100000748629 [0,0,0,0,0,0|2,0,0]=2 98 B8R0.7 C=C(C)COCCCCl 34a_100000230001_100000748629 [0,0,0,0,0,0|3,0,0]=3 99 B8R0.7 C=C(C)COCCCF 34a_100000210245_100011934791 [0,0,0,0,0,0|3,0,0]=3 100 B8R0.7 C=C(C)COCCCF 34a_100000759539_100000748629 [0,0,0,0,0,0|3,0,0]=3 101 B8R0.7 C=C(C)COCCCN 34a_100000182051_100000748629 [0,0,0,0,0,0|3,0,0]=3 102 B8R0.7 C=C(C)COCCCO 34a_100000210245_100000230001 [0,0,0,0,0,0|3,0,0]=3 103 B8R0.7 C=C(C)COCCOC 34a_100000210237_100000748629 [0,0,0,0,0,0|3,0,0]=3 104 B8R0.7 C=C(C)COCCOC 34a_100000210245_100011201679 [0,0,0,0,0,0|3,0,0]=3 105 B8R0.7 C=C(C)COCCON 34a_100000700252_100000748629 [0,0,0,0,0,0|4,0,0]=4 106 B8R0.7 C=C(C)COCCSC 34a_100000210245_100000212216 [0,0,0,0,0,0|3,0,0]=3 107 B8R0.7 C=C(C)COCCSC 34a_100000230434_100000748629 [0,0,0,0,0,0|3,0,0]=3 108 B8R0.7 C=C(C)COCCSC 7a_100000230434_100000748629 [0,0,0,0,0,0|3,0,0]=3 109 B8R0.7 C=C(C)CSC/C=C/C 62a_100000748629_100102629194 [0,0,0,0,0,0|2,0,2]=4 110 B8R0.7 C=C(C)CSC/C=C/C 62a_100102629194_100000211660 [0,0,0,0,0,0|2,0,2]=4 111 B8R0.7 C=C(C)CSCC#CC 62a_100000748600_100000211660 [0,0,0,0,0,0|2,0,2]=4 112 B8R0.7 C=C(C)CSCC#CC 62a_100000748629_100000748600 [0,0,0,0,0,0|2,0,2]=4 113 B8R0.7 C=C(C)CSCC=CC 62a_100000070051_100000211660 [0,0,0,0,0,0|2,0,2]=4 114 B8R0.7 C=C(C)CSCC=CC 62a_100000748629_100000070051 [0,0,0,0,0,0|2,0,2]=4 115 B8R0.7 C=C(C)CSCCC#N 62a_100000748629_100011215226 [0,0,0,0,0,0|3,0,1]=4 116 B8R0.7 C=C(C)CSCCC#N 62a_100011215226_100000211660 [0,0,0,0,0,0|3,0,1]=4 117 B8R0.7 C=C(C)CSCCCC 62a_100000210211_100000211660 [0,0,0,0,0,0|2,0,0]=2 118 B8R0.7 C=C(C)CSCCCC 62a_100000748629_100000210210 [0,0,0,0,0,0|2,0,0]=2 119 B8R0.7 C=C(C)CSCCCF 62a_100000748629_100011934791 [0,0,0,0,0,0|3,0,0]=3 120 B8R0.7 C=C(C)CSCCCF 62a_100011934791_100000211660 [0,0,0,0,0,0|3,0,0]=3 121 B8R0.7 C=C(C)CSCCCO 62a_100000748629_100011215043 [0,0,0,0,0,0|3,0,0]=3 122 B8R0.7 C=C(C)CSCCCO 62a_100011215043_100000211660 [0,0,0,0,0,0|3,0,0]=3 123 B8R0.7 C=C(C)CSCCOC 62a_100000233755_100000211660 [0,0,0,0,0,0|3,0,0]=3 124 B8R0.7 C=C(C)CSCCOC 62a_100000748629_100000233755 [0,0,0,0,0,0|3,0,0]=3 125 B8R0.7 C=C(C)CSCCSC 62a_100000212216_100000211660 [0,0,0,0,0,0|3,0,0]=3 126 B8R0.7 C=C(C)CSCCSC 62a_100000748629_100000751147 [0,0,0,0,0,0|3,0,0]=3 127 B8R0.7 C=C(C)CSCOCC 62a_100000739092_100000211660 [0,0,0,0,0,0|3,0,0]=3 128 B8R0.7 C=C(C)CSCOCC 62a_100000748629_100000739092 [0,0,0,0,0,0|3,0,0]=3 129 B8R0.7 C=C(F)CNCCCC 2230a_100000102301_100009893438 [0,0,0,0,0,0|2,0,1]=3 130 B8R0.7 C=C(F)CNCCCC 7a_106832991798_100000042424 [0,0,0,0,0,0|2,0,1]=3 131 B8R0.7 C=C(F)CNCCCF 2230a_100015189416_100009893438 [0,0,0,0,0,0|3,0,1]=4 132 B8R0.7 C=C(F)CNCCCF 34a_100015189416_100009893438 [0,0,0,0,0,0|3,0,1]=4 133 B8R0.7 C=C(F)CNCCOC 2230a_100000209980_100009893438 [0,0,0,0,0,0|3,0,1]=4 134 B8R0.7 C=C(F)CNCCSC 2230a_100020590264_100009893438 [0,0,0,0,0,0|3,0,1]=4 135 B8R0.7 C=C(F)COCCCBr 34a_100011217188_100009893438 [0,0,0,0,0,0|3,0,1]=4 136 B8R0.7 C=C(F)COCCCC 34a_100000210227_100009893438 [0,0,0,0,0,0|2,0,1]=3 137 B8R0.7 C=C(F)COCCCC 34a_200010262243_100000210210 [0,0,0,0,0,0|2,0,1]=3 138 B8R0.7 C=C(F)COCCCC 7a_100000210227_100000042424 [0,0,0,0,0,0|2,0,1]=3 139 B8R0.7 C=C(F)COCCCCl 34a_100000230001_100009893438 [0,0,0,0,0,0|3,0,1]=4 140 B8R0.7 C=C(F)COCCCF 34a_100000759539_100009893438 [0,0,0,0,0,0|3,0,1]=4 141 B8R0.7 C=C(F)COCCCF 34a_200010262243_100011934791 [0,0,0,0,0,0|3,0,1]=4 142 B8R0.7 C=C(F)COCCCN 34a_100000182051_100009893438 [0,0,0,0,0,0|3,0,1]=4 143 B8R0.7 C=C(F)COCCCO 34a_200010262243_100000230001 [0,0,0,0,0,0|3,0,1]=4 144 B8R0.7 C=C(F)COCCOC 34a_100000210237_100009893438 [0,0,0,0,0,0|3,0,1]=4 145 B8R0.7 C=C(F)COCCOC 34a_200010262243_100011201679 [0,0,0,0,0,0|3,0,1]=4 146 B8R0.7 C=C(F)COCCSC 34a_100000230434_100009893438 [0,0,0,0,0,0|3,0,1]=4 147 B8R0.7 C=C(F)COCCSC 34a_200010262243_100000212216 [0,0,0,0,0,0|3,0,1]=4 148 B8R0.7 C=C(F)COCCSC 7a_100000230434_100000042424 [0,0,0,0,0,0|3,0,1]=4 149 B8R0.7 C=C(F)CSCCCC 62a_100000042424_100000210210 [0,0,0,0,0,0|2,0,1]=3 150 B8R0.7 C=C(F)CSCCCC 62a_100000210211_100000042424 [0,0,0,0,0,0|2,0,1]=3 151 B8R0.7 C=C(F)CSCCCF 62a_100000042424_100011934791 [0,0,0,0,0,0|3,0,1]=4 152 B8R0.7 C=C(F)CSCCCF 62a_100011934791_100000042424 [0,0,0,0,0,0|3,0,1]=4 153 B8R0.7 C=C(F)CSCCCO 62a_100000042424_100011215043 [0,0,0,0,0,0|3,0,1]=4 154 B8R0.7 C=C(F)CSCCCO 62a_100011215043_100000042424 [0,0,0,0,0,0|3,0,1]=4 155 B8R0.7 C=C(F)CSCCOC 62a_100000042424_100000233755 [0,0,0,0,0,0|3,0,1]=4 156 B8R0.7 C=C(F)CSCCOC 62a_100000233755_100000042424 [0,0,0,0,0,0|3,0,1]=4 157 B8R0.7 C=C(F)CSCCSC 62a_100000042424_100000751147 [0,0,0,0,0,0|3,0,1]=4 158 B8R0.7 C=C(F)CSCCSC 62a_100000212216_100000042424 [0,0,0,0,0,0|3,0,1]=4 159 B8R0.7 C=C(F)CSCOCC 62a_100000042424_100000739092 [0,0,0,0,0,0|3,0,1]=4 160 B8R0.7 C=C(F)CSCOCC 62a_100000739092_100000042424 [0,0,0,0,0,0|3,0,1]=4 161 B8R0.7 C=CCCCCC(=O)C 1458a_100000070787_100011215482 [0,0,0,0,0,0|0,0,2]=2 162 B8R0.7 C=CCCCCC(=O)C 1458a_100011215552_200000210301 [0,0,0,0,0,0|0,0,2]=2 163 B8R0.7 C=CCCCCC(=O)[13CH3] 1458a_100011215552_200025704644 [0,0,0,0,0,0|0,0,2]=2 164 B8R0.7 C=CCCCCN(C)C 2230a_100012000471_200000210301 [0,0,0,0,0,0|2,0,2]=4 165 B8R0.7 C=CCCCCN(C)C 2230a_100102631434_100011215482 [0,0,0,0,0,0|2,0,2]=4 166 B8R0.7 C=CCCCCN(C)C 269982a_100012000471_200000210301 [0,0,0,0,0,0|2,0,2]=4 167 B8R0.7 C=CCCCCN(C)C 269982a_100102631434_100011215482 [0,0,0,0,0,0|2,0,2]=4 168 B8R0.7 C=CCCCCN(C)[13CH3] 2230a_100012000471_200025704644 [0,0,0,0,0,0|2,0,2]=4 169 B8R0.7 C=CCCCCN(C)[13CH3] 269982a_100012000471_200025704644 [0,0,0,0,0,0|2,0,2]=4 170 B8R0.7 C=CCCCNC(=O)C 11a_100000700776_100015343762 [0,0,0,0,0,0|1,0,2]=3 171 B8R0.7 C=CCCCNC(=O)C 1626a_100000700776_100015343762 [0,0,0,0,0,0|1,0,2]=3 172 B8R0.7 C=CCCCNC(=O)C 240690a_100000700776_100015343762 [0,0,0,0,0,0|1,0,2]=3 173 B8R0.7 C=CCCCNC(=O)C 527a_100000700776_100103153847 [0,0,0,0,0,0|1,0,2]=3 174 B8R0.7 C=CCCNCC(=C)C 2230a_100015191253_100000748629 [0,0,0,0,0,0|2,0,2]=4 175 B8R0.7 C=CCCNCC(=O)N 2230a_100000711301_100000754431 [0,0,0,0,0,0|2,0,2]=4 176 B8R0.7 C=CCCNCC(=O)N 2230a_100015191253_100000747473 [0,0,0,0,0,0|2,0,2]=4 177 B8R0.7 C=CCCNCC(=O)O 269956a_100016091260_100000754431 [0,0,0,0,0,0|2,0,2]=4 178 B8R0.7 C=CCCOCC(=C)C 34a_100000210245_100000754431 [0,0,0,0,0,0|2,0,2]=4 179 B8R0.7 C=CCCOCC(=C)C 34a_100011205117_100000748629 [0,0,0,0,0,0|2,0,2]=4 180 B8R0.7 C=CCCOCC(=O)C 34a_100000211253_100000754431 [0,0,0,0,0,0|1,0,2]=3 181 B8R0.7 C=CCCOCC(=O)N 34a_100011205117_100000187820 [0,0,0,0,0,0|2,0,2]=4 182 B8R0.7 C=CCCOCC(=O)[O-] 34a_100011205117_100020667443 [0,0,0,0,0,0|2,0,2]=4 183 B8R0.7 C=CCCSCC(=C)C 62a_100000748629_100000754431 [0,0,0,0,0,0|2,0,2]=4 184 B8R0.7 C=CCCSCC(=C)C 62a_100000754431_100000211660 [0,0,0,0,0,0|2,0,2]=4 185 B8R0.7 C=CCCSCC(=O)N 62a_100000747473_100000754431 [0,0,0,0,0,0|2,0,2]=4 186 B8R0.7 C=CCCSCC(=O)N 62a_100000754431_100000747473 [0,0,0,0,0,0|2,0,2]=4 187 B8R0.7 C=CCCSCC(=O)[O-] 62a_100000754431_100020667443 [0,0,0,0,0,0|2,0,2]=4 188 B8R0.7 C=CCCSCC(=O)[O-] 62a_100020667443_100000754431 [0,0,0,0,0,0|2,0,2]=4 189 B8R0.7 C=CCNCCC(=C)C 2230a_100020586998_100000730704 [0,0,0,0,0,0|2,0,2]=4 190 B8R0.7 C=CCNCCC(=O)N 2230a_100020586998_100000744528 [0,0,0,0,0,0|2,0,2]=4 191 B8R0.7 C=CCOCCC(=C)C 34a_100000764851_100015514636 [0,0,0,0,0,0|2,0,2]=4 192 B8R0.7 C=CCOCCC(=C)C 34a_200000210373_100000730704 [0,0,0,0,0,0|2,0,2]=4 193 B8R0.7 C=CCOCCC(=O)C 1458a_200011217002_200000210301 [0,0,0,0,0,0|1,0,2]=3 194 B8R0.7 C=CCOCCC(=O)C 34a_100000759926_100015514636 [0,0,0,0,0,0|1,0,2]=3 195 B8R0.7 C=CCOCCC(=O)C 7a_100000759926_100015514636 [0,0,0,0,0,0|1,0,2]=3 196 B8R0.7 C=CCOCCC(=O)N 34a_100000757172_100015514636 [0,0,0,0,0,0|2,0,2]=4 197 B8R0.7 C=CCOCCC(=O)N 34a_200000210373_100000731001 [0,0,0,0,0,0|2,0,2]=4 198 B8R0.7 C=CCOCCC(=O)N 7a_100000757172_100015514636 [0,0,0,0,0,0|2,0,2]=4 199 B8R0.7 C=CCOCCC(=O)[13CH3] 1458a_200011217002_200025704644 [0,0,0,0,0,0|1,0,2]=3 200 B8R0.7 C=CCOCOC(=O)C 34a_200000210373_100009813279 [0,0,0,0,0,0|2,0,2]=4 201 B8R0.7 C=CCSCCC(=C)C 62a_100000210623_100000730704 [0,0,0,0,0,0|2,0,2]=4 202 B8R0.7 C=CCSCCC(=C)C 62a_100000730704_100000210623 [0,0,0,0,0,0|2,0,2]=4 203 B8R0.7 C=CCSCCC(=O)C 62a_100000053229_100000210623 [0,0,0,0,0,0|1,0,2]=3 204 B8R0.7 C=CCSCCC(=O)C 62a_100000210623_100000053229 [0,0,0,0,0,0|1,0,2]=3 205 B8R0.7 C=CCSCCC(=O)N 62a_100000210623_100000744528 [0,0,0,0,0,0|2,0,2]=4 206 B8R0.7 C=CCSCCC(=O)N 62a_100000744528_100000210623 [0,0,0,0,0,0|2,0,2]=4 207 B8R0.7 C=CCSCOC(=O)C 62a_100000076356_100000210623 [0,0,0,0,0,0|2,0,2]=4 208 B8R0.7 C=CCSCOC(=O)C 62a_100000210623_100000076356 [0,0,0,0,0,0|2,0,2]=4 209 B8R0.7 CC#CCNCC(=O)N 2230a_100000685387_100000747473 [0,0,0,0,0,0|2,0,2]=4 210 B8R0.7 CC#CCNCC(=O)N 2230a_100000711301_100000748600 [0,0,0,0,0,0|2,0,2]=4 211 B8R0.7 CC#CCNCC(=O)N 34a_100000685387_100000187820 [0,0,0,0,0,0|2,0,2]=4 212 B8R0.7 CC#CCNCC(=O)O 269956a_100016091260_100000748600 [0,0,0,0,0,0|2,0,2]=4 213 B8R0.7 CC#CCNCC(=O)[O-] 34a_100000685387_100020667443 [0,0,0,0,0,0|2,0,2]=4 214 B8R0.7 CC#CCOCC(=O)C 34a_100000211253_100000748600 [0,0,0,0,0,0|1,0,2]=3 215 B8R0.7 CC#CCOCC(=O)N 34a_100000761923_100000187820 [0,0,0,0,0,0|2,0,2]=4 216 B8R0.7 CC#CCOCC(=O)[O-] 34a_100000761923_100020667443 [0,0,0,0,0,0|2,0,2]=4 217 B8R0.7 CC#CCSCC(=O)N 62a_100000747473_100000748600 [0,0,0,0,0,0|2,0,2]=4 218 B8R0.7 CC#CCSCC(=O)N 62a_100000748600_100000747473 [0,0,0,0,0,0|2,0,2]=4 219 B8R0.7 CC#CCSCC(=O)[O-] 62a_100000748600_100020667443 [0,0,0,0,0,0|2,0,2]=4 220 B8R0.7 CC#CCSCC(=O)[O-] 62a_100020667443_100000748600 [0,0,0,0,0,0|2,0,2]=4 221 B8R0.7 CC(=CCCSCF)C 62a_100011217483_100015361967 [0,0,0,0,0,0|3,0,1]=4 222 B8R0.7 CC(=CCCSCF)C 62a_100015361967_100011217483 [0,0,0,0,0,0|3,0,1]=4 223 B8R0.7 CC(=CCNCCF)C 34a_100000718196_100011217306 [0,0,0,0,0,0|3,0,1]=4 224 B8R0.7 CC(=CCNCCF)C 34a_100000724931_100000761012 [0,0,0,0,0,0|3,0,1]=4 225 B8R0.7 CC(=CCNCCO)C 2230a_100016997473_100000761012 [0,0,0,0,0,0|3,0,1]=4 226 B8R0.7 CC(=CCNCCO)C 34a_100000718196_100000211926 [0,0,0,0,0,0|3,0,1]=4 227 B8R0.7 CC(=CCNCCO)C 34a_100016990907_100000761012 [0,0,0,0,0,0|3,0,1]=4 228 B8R0.7 CC(=CCOCCBr)C 34a_100000211926_100000761012 [0,0,0,0,0,0|3,0,1]=4 229 B8R0.7 CC(=CCOCCF)C 34a_100000753907_100011217306 [0,0,0,0,0,0|3,0,1]=4 230 B8R0.7 CC(=CCOCCN)C 34a_100000210304_100000761012 [0,0,0,0,0,0|3,0,1]=4 231 B8R0.7 CC(=CCOCCO)C 34a_100000753907_100000211926 [0,0,0,0,0,0|3,0,1]=4 232 B8R0.7 CC(=CCSCCF)C 62a_100000761012_100011217306 [0,0,0,0,0,0|3,0,1]=4 233 B8R0.7 CC(=CCSCCF)C 62a_100011217306_100000761012 [0,0,0,0,0,0|3,0,1]=4 234 B8R0.7 CC(=CCSCCO)C 62a_100000211926_100000761012 [0,0,0,0,0,0|3,0,1]=4 235 B8R0.7 CC(=CCSCCO)C 62a_100000761012_100000211926 [0,0,0,0,0,0|3,0,1]=4 236 B8R0.7 CC(=O)CCCCC#N 1458a_100000070787_100000211819 [0,0,0,0,0,0|1,0,1]=2 237 B8R0.7 CC(=O)CCCCCF 1458a_100000070787_100000729378 [0,0,0,0,0,0|1,0,0]=1 238 B8R0.7 CC(=O)CCCCCO 1458a_100000070787_100000746330 [0,0,0,0,0,0|1,0,0]=1 239 B8R0.7 CC(=O)CCCCCO 1458a_100102619762_200000210301 [0,0,0,0,0,0|1,0,0]=1 240 B8R0.7 CC(=O)CCCCS[13CH3] 62a_100000735457_200025704644 [0,0,0,0,0,0|1,0,0]=1 241 B8R0.7 CC(=O)CCCCS[13CH3] 62a_200025704644_100000735457 [0,0,0,0,0,0|1,0,0]=1 242 B8R0.7 CC(=O)CCCN=[N+]=[N-] 1458a_100010262590_200000210301 [0,0,0,0,0,0|3,0,0]=3 243 B8R0.7 CC(=O)CCCOCF 34a_100000759063_100015361967 [0,0,0,0,0,0|2,0,0]=2 244 B8R0.7 CC(=O)CCCOCF 7a_100000759063_100015361967 [0,0,0,0,0,0|2,0,0]=2 245 B8R0.7 CC(=O)CCCSCF 62a_100011215641_100015361967 [0,0,0,0,0,0|2,0,0]=2 246 B8R0.7 CC(=O)CCCSCF 62a_100015361967_100011215641 [0,0,0,0,0,0|2,0,0]=2 247 B8R0.7 CC(=O)CCOCC#N 1458a_100000070787_200000047693 [0,0,0,0,0,0|2,0,1]=3 248 B8R0.7 CC(=O)CCOCC#N 7a_100000759926_100011215382 [0,0,0,0,0,0|2,0,1]=3 249 B8R0.7 CC(=O)CCOCC=O 34a_100000759926_200009817547 [0,0,0,0,0,0|2,0,1]=3 250 B8R0.7 CC(=O)CCOCC=O 7a_100000759926_200015260668 [0,0,0,0,0,0|2,0,1]=3 251 B8R0.7 CC(=O)CCOCCF 34a_100000759926_100011217306 [0,0,0,0,0,0|2,0,0]=2 252 B8R0.7 CC(=O)CCOCCF 7a_100000759926_100011217306 [0,0,0,0,0,0|2,0,0]=2 253 B8R0.7 CC(=O)CCOCCO 1458a_100000070787_100011215305 [0,0,0,0,0,0|2,0,0]=2 254 B8R0.7 CC(=O)CCOCCO 1458a_100011229844_200000210301 [0,0,0,0,0,0|2,0,0]=2 255 B8R0.7 CC(=O)CCOCCO 34a_100000759926_100000211926 [0,0,0,0,0,0|2,0,0]=2 256 B8R0.7 CC(=O)CCOCCO 7a_100000759926_100000211926 [0,0,0,0,0,0|2,0,0]=2 257 B8R0.7 CC(=O)CCSCC#N 62a_100000053229_100011215382 [0,0,0,0,0,0|2,0,1]=3 258 B8R0.7 CC(=O)CCSCC#N 62a_100011215382_100000053229 [0,0,0,0,0,0|2,0,1]=3 259 B8R0.7 CC(=O)CCSCC=O 62a_100000053229_200015260668 [0,0,0,0,0,0|2,0,1]=3 260 B8R0.7 CC(=O)CCSCC=O 62a_200015260668_100000053229 [0,0,0,0,0,0|2,0,1]=3 261 B8R0.7 CC(=O)CCSCCF 62a_100000053229_100011217306 [0,0,0,0,0,0|2,0,0]=2 262 B8R0.7 CC(=O)CCSCCF 62a_100011217306_100000053229 [0,0,0,0,0,0|2,0,0]=2 263 B8R0.7 CC(=O)CCSCCO 62a_100000053229_100000211926 [0,0,0,0,0,0|2,0,0]=2 264 B8R0.7 CC(=O)CCSCCO 62a_100000211926_100000053229 [0,0,0,0,0,0|2,0,0]=2 265 B8R0.7 CC(=O)COCCCF 34a_100000211253_100011934791 [0,0,0,0,0,0|2,0,0]=2 266 B8R0.7 CC(=O)COCCCO 34a_100000211253_100000230001 [0,0,0,0,0,0|2,0,0]=2 267 B8R0.7 CC(=O)NCCCCO 240690a_100000750430_100015343762 [0,0,0,0,0,0|2,0,0]=2 268 B8R0.7 CC(=O)NCCCCO 527a_100000750430_100103153847 [0,0,0,0,0,0|2,0,0]=2 269 B8R0.7 CC(=O)NCCCN[13CH3] 34a_100000736810_200025704644 [0,0,0,0,0,0|2,0,0]=2 270 B8R0.7 CC(=O)NCCCO[13CH3] 34a_100000752032_200025704644 [0,0,0,0,0,0|2,0,0]=2 271 B8R0.7 CC(=O)NCCOCF 34a_100000158858_100015361967 [0,0,0,0,0,0|3,0,0]=3 272 B8R0.7 CC(=O)NCCSCF 62a_100000189650_100015361967 [0,0,0,0,0,0|3,0,0]=3 273 B8R0.7 CC(=O)NCCSCF 62a_100015361967_100000189650 [0,0,0,0,0,0|3,0,0]=3 274 B8R0.7 CC(=O)NNCCC#N 22a_100000229987_100000070787 [0,0,0,0,0,0|3,0,1]=4 275 B8R0.7 CC(=O)OCCCS[13CH3] 62a_100000042594_200025704644 [0,0,0,0,0,0|2,0,0]=2 276 B8R0.7 CC(=O)OCCCS[13CH3] 62a_200025704644_100000042594 [0,0,0,0,0,0|2,0,0]=2 277 B8R0.7 CC(=O)OCCSCF 62a_100009814007_100015361967 [0,0,0,0,0,0|3,0,0]=3 278 B8R0.7 CC(=O)OCCSCF 62a_100015361967_100009814007 [0,0,0,0,0,0|3,0,0]=3 279 B8R0.7 CC(=O)OCNCCF 34a_100000724931_100009813279 [0,0,0,0,0,0|3,0,0]=3 280 B8R0.7 CC(=O)OCNCCO 34a_100016990907_100009813279 [0,0,0,0,0,0|3,0,0]=3 281 B8R0.7 CC(=O)OCOCCBr 34a_100000211926_100009813279 [0,0,0,0,0,0|3,0,0]=3 282 B8R0.7 CC(=O)OCOCCN 34a_100000210304_100009813279 [0,0,0,0,0,0|3,0,0]=3 283 B8R0.7 CC(=O)OCSCC#N 62a_100000076356_100011215382 [0,0,0,0,0,0|3,0,1]=4 284 B8R0.7 CC(=O)OCSCC#N 62a_100011215382_100000076356 [0,0,0,0,0,0|3,0,1]=4 285 B8R0.7 CC(=O)OCSCC=O 62a_100000076356_200015260668 [0,0,0,0,0,0|3,0,1]=4 286 B8R0.7 CC(=O)OCSCC=O 62a_200015260668_100000076356 [0,0,0,0,0,0|3,0,1]=4 287 B8R0.7 CC(=O)OCSCCF 62a_100000076356_100011217306 [0,0,0,0,0,0|3,0,0]=3 288 B8R0.7 CC(=O)OCSCCF 62a_100011217306_100000076356 [0,0,0,0,0,0|3,0,0]=3 289 B8R0.7 CC(=O)OCSCCO 62a_100000076356_100000211926 [0,0,0,0,0,0|3,0,0]=3 290 B8R0.7 CC(=O)OCSCCO 62a_100000211926_100000076356 [0,0,0,0,0,0|3,0,0]=3 291 B8R0.7 CC(=O)SCCCS[13CH3] 62a_100000038929_200025704644 [0,0,0,0,0,0|2,0,0]=2 292 B8R0.7 CC(=O)SCCCS[13CH3] 62a_200025704644_100000038929 [0,0,0,0,0,0|2,0,0]=2 293 B8R0.7 CC(=S)OCCCS[13CH3] 62a_200025704644_200135323944 [0,0,0,0,0,0|2,1,0]=3 294 B8R0.7 CC(=S)OCCCS[13CH3] 62a_200135323944_200025704644 [0,0,0,0,0,0|2,1,0]=3 295 B8R0.7 CC(Br)CCOCCF 34a_100009893172_100011217306 [0,0,0,0,0,0|3,0,1]=4 296 B8R0.7 CC(Br)CCOCCO 34a_100009893172_100000211926 [0,0,0,0,0,0|3,0,1]=4 297 B8R0.7 CC(Br)COCCCF 34a_100012180447_100011934791 [0,0,0,0,0,0|3,0,1]=4 298 B8R0.7 CC(Br)COCCCO 34a_100012180447_100000230001 [0,0,0,0,0,0|3,0,1]=4 299 B8R0.7 CC(C)CCCCO[13CH3] 34a_100011214890_200025704644 [0,0,0,0,0,0|2,0,1]=3 300 B8R0.7 CC(C)CCCCO[13CH3] 7a_100011214890_200025704644 [0,0,0,0,0,0|2,0,1]=3 301 B8R0.7 CC(C)CCCCS[13CH3] 62a_100011216152_200025704644 [0,0,0,0,0,0|2,0,1]=3 302 B8R0.7 CC(C)CCCCS[13CH3] 62a_200025704644_100011216152 [0,0,0,0,0,0|2,0,1]=3 303 B8R0.7 CC(C)CCCNCF 34a_200000737386_100015361967 [0,0,0,0,0,0|3,0,1]=4 304 B8R0.7 CC(C)CCCOCF 34a_100000210774_100015361967 [0,0,0,0,0,0|3,0,1]=4 305 B8R0.7 CC(C)CCCOCF 7a_100000210774_100015361967 [0,0,0,0,0,0|3,0,1]=4 306 B8R0.7 CC(C)CCCSCF 62a_100011214892_100015361967 [0,0,0,0,0,0|3,0,1]=4 307 B8R0.7 CC(C)CCCSCF 62a_100015361967_100011214892 [0,0,0,0,0,0|3,0,1]=4 308 B8R0.7 CC(C)CCNCCF 269862a_100000724931_100000185833 [0,0,0,0,0,0|3,0,1]=4 309 B8R0.7 CC(C)CCNCCF 34a_100000724931_100000210312 [0,0,0,0,0,0|3,0,1]=4 310 B8R0.7 CC(C)CCNCCO 2230a_100016997473_100000210312 [0,0,0,0,0,0|3,0,1]=4 311 B8R0.7 CC(C)CCNCCO 269862a_100000210304_100000185833 [0,0,0,0,0,0|3,0,1]=4 312 B8R0.7 CC(C)CCNCCO 34a_100016990907_100000210312 [0,0,0,0,0,0|3,0,1]=4 313 B8R0.7 CC(C)CCOCCBr 34a_100000211926_100000210312 [0,0,0,0,0,0|3,0,1]=4 314 B8R0.7 CC(C)CCOCCF 34a_100000210254_100011217306 [0,0,0,0,0,0|3,0,1]=4 315 B8R0.7 CC(C)CCOCCF 7a_100000210254_100011217306 [0,0,0,0,0,0|3,0,1]=4 316 B8R0.7 CC(C)CCOCCN 34a_100000210304_100000210312 [0,0,0,0,0,0|3,0,1]=4 317 B8R0.7 CC(C)CCOCCO 34a_100000210254_100000211926 [0,0,0,0,0,0|3,0,1]=4 318 B8R0.7 CC(C)CCOCCO 7a_100000210254_100000211926 [0,0,0,0,0,0|3,0,1]=4 319 B8R0.7 CC(C)CCSCCF 62a_100000210312_100011217306 [0,0,0,0,0,0|3,0,1]=4 320 B8R0.7 CC(C)CCSCCF 62a_100011217306_100000210312 [0,0,0,0,0,0|3,0,1]=4 321 B8R0.7 CC(C)CCSCCO 62a_100000210312_100000211926 [0,0,0,0,0,0|3,0,1]=4 322 B8R0.7 CC(C)CCSCCO 62a_100000211926_100000210312 [0,0,0,0,0,0|3,0,1]=4 323 B8R0.7 CC(C)CNCCCF 2230a_100000210953_100011934791 [0,0,0,0,0,0|3,0,1]=4 324 B8R0.7 CC(C)CNCCCF 2230a_100015189416_100000210760 [0,0,0,0,0,0|3,0,1]=4 325 B8R0.7 CC(C)CNCCCF 270004a_100015189416_100000210432 [0,0,0,0,0,0|3,0,1]=4 326 B8R0.7 CC(C)CNCCCF 34a_100000210953_100011934791 [0,0,0,0,0,0|3,0,1]=4 327 B8R0.7 CC(C)CNCCCF 34a_100015189416_100000210624 [0,0,0,0,0,0|3,0,1]=4 328 B8R0.7 CC(C)CNCCCO 2230a_100000210953_100000230001 [0,0,0,0,0,0|3,0,1]=4 329 B8R0.7 CC(C)CNCCCO 270004a_100000182051_100000210432 [0,0,0,0,0,0|3,0,1]=4 330 B8R0.7 CC(C)CNCCCO 34a_100000210953_100000230001 [0,0,0,0,0,0|3,0,1]=4 331 B8R0.7 CC(C)CNCCO[13CH3] 34a_100015185251_200025704644 [0,0,0,0,0,0|3,0,1]=4 332 B8R0.7 CC(C)COCCCBr 34a_100011217188_100000210624 [0,0,0,0,0,0|3,0,1]=4 333 B8R0.7 CC(C)COCCCCl 34a_100000230001_100000210624 [0,0,0,0,0,0|3,0,1]=4 334 B8R0.7 CC(C)COCCCF 34a_100000210257_100011934791 [0,0,0,0,0,0|3,0,1]=4 335 B8R0.7 CC(C)COCCCF 34a_100000759539_100000210624 [0,0,0,0,0,0|3,0,1]=4 336 B8R0.7 CC(C)COCCCN 34a_100000182051_100000210624 [0,0,0,0,0,0|3,0,1]=4 337 B8R0.7 CC(C)COCCCO 34a_100000210257_100000230001 [0,0,0,0,0,0|3,0,1]=4 338 B8R0.7 CC(C)COCCO[13CH3] 34a_100000703358_200025704644 [0,0,0,0,0,0|3,0,1]=4 339 B8R0.7 CC(C)COCCO[13CH3] 7a_100000703358_200025704644 [0,0,0,0,0,0|3,0,1]=4 340 B8R0.7 CC(C)CSCCCF 62a_100000210624_100011934791 [0,0,0,0,0,0|3,0,1]=4 341 B8R0.7 CC(C)CSCCCF 62a_100011934791_100000210760 [0,0,0,0,0,0|3,0,1]=4 342 B8R0.7 CC(C)CSCCCO 62a_100000210624_100011215043 [0,0,0,0,0,0|3,0,1]=4 343 B8R0.7 CC(C)CSCCCO 62a_100011215043_100000210760 [0,0,0,0,0,0|3,0,1]=4 344 B8R0.7 CC(C)CSCCO[13CH3] 34a_200000230437_200025704644 [0,0,0,0,0,0|3,0,1]=4 345 B8R0.7 CC(C)CSCCO[13CH3] 7a_200000230437_200025704644 [0,0,0,0,0,0|3,0,1]=4 346 B8R0.7 CC(C)NCCCCF 2230a_100138425928_100000729493 [0,0,0,0,0,0|3,0,1]=4 347 B8R0.7 CC(C)NCCCCF 34a_100138425928_100000729493 [0,0,0,0,0,0|3,0,1]=4 348 B8R0.7 CC(C)NCCCCO 2230a_100000750430_100000210206 [0,0,0,0,0,0|3,0,1]=4 349 B8R0.7 CC(C)NCCCCO 2230a_100138425928_100000210776 [0,0,0,0,0,0|3,0,1]=4 350 B8R0.7 CC(C)NCCCCO 34a_100000750430_100000210206 [0,0,0,0,0,0|3,0,1]=4 351 B8R0.7 CC(C)NCCCCO 34a_100138425928_100011216708 [0,0,0,0,0,0|3,0,1]=4 352 B8R0.7 CC(C)NCCCO[13CH3] 34a_100000182298_200025704644 [0,0,0,0,0,0|3,0,1]=4 353 B8R0.7 CC(C)OCCCCBr 34a_100011216708_100000210206 [0,0,0,0,0,0|3,0,1]=4 354 B8R0.7 CC(C)OCCCCCl 34a_100000210776_100000210206 [0,0,0,0,0,0|3,0,1]=4 355 B8R0.7 CC(C)OCCCCCl 7a_100000210776_100000210206 [0,0,0,0,0,0|3,0,1]=4 356 B8R0.7 CC(C)OCCCCF 34a_100000212225_100000729493 [0,0,0,0,0,0|3,0,1]=4 357 B8R0.7 CC(C)OCCCCF 34a_100011995726_100000210206 [0,0,0,0,0,0|3,0,1]=4 358 B8R0.7 CC(C)OCCCCF 7a_100011995726_100000210206 [0,0,0,0,0,0|3,0,1]=4 359 B8R0.7 CC(C)OCCCCI 34a_200012148704_100000210206 [0,0,0,0,0,0|3,0,1]=4 360 B8R0.7 CC(C)OCCCCN 34a_100000750430_100000210206 [0,0,0,0,0,0|3,0,1]=4 361 B8R0.7 CC(C)OCCCCO 34a_100000212225_100011216708 [0,0,0,0,0,0|3,0,1]=4 362 B8R0.7 CC(C)OCCCN[13CH3] 2230a_100000737246_200025704644 [0,0,0,0,0,0|3,0,1]=4 363 B8R0.7 CC(C)OCCCN[13CH3] 34a_100000737246_200025704644 [0,0,0,0,0,0|3,0,1]=4 364 B8R0.7 CC(C)SCCCCF 62a_100000210206_100000729493 [0,0,0,0,0,0|3,0,1]=4 365 B8R0.7 CC(C)SCCCCF 62a_100000729493_100000210206 [0,0,0,0,0,0|3,0,1]=4 366 B8R0.7 CC(C)SCCCCO 62a_100000210206_100000210776 [0,0,0,0,0,0|3,0,1]=4 367 B8R0.7 CC(C)SCCCCO 62a_100000210776_100000210206 [0,0,0,0,0,0|3,0,1]=4 368 B8R0.7 CC(F)COCCCF 34a_100015925927_100011934791 [0,0,0,0,0,0|3,0,1]=4 369 B8R0.7 CC(F)COCCCO 34a_100015925927_100000230001 [0,0,0,0,0,0|3,0,1]=4 370 B8R0.7 CC(O)CCCSCF 62a_100015361967_200000718107 [0,0,0,0,0,0|2,0,2]=4 371 B8R0.7 CC(O)CCCSCF 62a_200000718107_100015361967 [0,0,0,0,0,0|2,0,2]=4 372 B8R0.7 CC(O)CCNCCF 2230a_200000755665_100011217306 [0,0,0,0,0,0|2,0,2]=4 373 B8R0.7 CC(O)CCNCCF 34a_100000724931_100012276601 [0,0,0,0,0,0|2,0,2]=4 374 B8R0.7 CC(O)CCNCCO 2230a_100016997473_100012276601 [0,0,0,0,0,0|2,0,2]=4 375 B8R0.7 CC(O)CCNCCO 2230a_200000755665_100000211926 [0,0,0,0,0,0|2,0,2]=4 376 B8R0.7 CC(O)CCNCCO 34a_100016990907_100012276601 [0,0,0,0,0,0|2,0,2]=4 377 B8R0.7 CC(O)CCOCCBr 34a_100000211926_100012276601 [0,0,0,0,0,0|2,0,2]=4 378 B8R0.7 CC(O)CCOCCN 34a_100000210304_100012276601 [0,0,0,0,0,0|2,0,2]=4 379 B8R0.7 CC(O)CCSCCF 62a_100011217306_100012276601 [0,0,0,0,0,0|2,0,2]=4 380 B8R0.7 CC(O)CCSCCF 62a_100012276601_100011217306 [0,0,0,0,0,0|2,0,2]=4 381 B8R0.7 CC(O)CCSCCO 62a_100000211926_100012276601 [0,0,0,0,0,0|2,0,2]=4 382 B8R0.7 CC(O)CCSCCO 62a_100012276601_100000211926 [0,0,0,0,0,0|2,0,2]=4 383 B8R0.7 CC(O)CNCCCF 2230a_100000210904_100011934791 [0,0,0,0,0,0|2,0,2]=4 384 B8R0.7 CC(O)CNCCCF 2230a_100015189416_100011218427 [0,0,0,0,0,0|2,0,2]=4 385 B8R0.7 CC(O)CNCCCF 34a_100000210904_100011934791 [0,0,0,0,0,0|2,0,2]=4 386 B8R0.7 CC(O)CNCCCF 34a_100015189416_100011218427 [0,0,0,0,0,0|2,0,2]=4 387 B8R0.7 CC(O)CNCCCO 2230a_100000210904_100000230001 [0,0,0,0,0,0|2,0,2]=4 388 B8R0.7 CC(O)CNCCCO 34a_100000210904_100000230001 [0,0,0,0,0,0|2,0,2]=4 389 B8R0.7 CC(O)COCCCBr 34a_100011217188_100011218427 [0,0,0,0,0,0|2,0,2]=4 390 B8R0.7 CC(O)COCCCCl 34a_100000230001_100011218427 [0,0,0,0,0,0|2,0,2]=4 391 B8R0.7 CC(O)COCCCF 34a_100000759539_100011218427 [0,0,0,0,0,0|2,0,2]=4 392 B8R0.7 CC(O)COCCCN 34a_100000182051_100011218427 [0,0,0,0,0,0|2,0,2]=4 393 B8R0.7 CC(O)CSCCCF 62a_100011218427_100011934791 [0,0,0,0,0,0|2,0,2]=4 394 B8R0.7 CC(O)CSCCCF 62a_100011934791_100011218427 [0,0,0,0,0,0|2,0,2]=4 395 B8R0.7 CC(O)CSCCCO 62a_100011215043_100011218427 [0,0,0,0,0,0|2,0,2]=4 396 B8R0.7 CC(O)CSCCCO 62a_100011218427_100011215043 [0,0,0,0,0,0|2,0,2]=4 397 B8R0.7 CC/C=C\CCC(=O)C 1458a_100000070787_100015370543 [0,0,0,0,0,0|0,0,2]=2 398 B8R0.7 CC/C=C\CCN(C)C 2230a_100102631434_100015370543 [0,0,0,0,0,0|2,0,2]=4 399 B8R0.7 CC/C=C\CCN(C)C 269982a_100102631434_100015370543 [0,0,0,0,0,0|2,0,2]=4 400 B8R0.7 CC=CCNCC(=O)N 2230a_100000711301_100000070051 [0,0,0,0,0,0|2,0,2]=4 401 B8R0.7 CC=CCOCC(=O)C 34a_100000211253_100000070051 [0,0,0,0,0,0|1,0,2]=3 402 B8R0.7 CC=CCSCC(=O)N 62a_100000070051_100000747473 [0,0,0,0,0,0|2,0,2]=4 403 B8R0.7 CC=CCSCC(=O)N 62a_100000747473_100000070051 [0,0,0,0,0,0|2,0,2]=4 404 B8R0.7 CC=CCSCC(=O)[O-] 62a_100000070051_100020667443 [0,0,0,0,0,0|2,0,2]=4 405 B8R0.7 CC=CCSCC(=O)[O-] 62a_100020667443_100000070051 [0,0,0,0,0,0|2,0,2]=4 406 B8R0.7 CCC/C=C/CC(=O)C 1458a_200016266809_200000210301 [0,0,0,0,0,0|0,0,2]=2 407 B8R0.7 CCC/C=C/CC(=O)[13CH3] 1458a_200016266809_200025704644 [0,0,0,0,0,0|0,0,2]=2 408 B8R0.7 CCCC=NNC(=O)C 4a_100000189765_100000185831 [0,0,0,0,0,0|2,0,1]=3 409 B8R0.7 CCCCC=CC(=O)C 1458a_100016266645_200000210301 [0,0,0,0,0,0|0,0,2]=2 410 B8R0.7 CCCCC=CC(=O)[13CH3] 1458a_100016266645_200025704644 [0,0,0,0,0,0|0,0,2]=2 411 B8R0.7 CCCCCCC(=O)C 1458a_100000070787_100000210757 [0,0,0,0,0,0|0,0,0]=0 412 B8R0.7 CCCCCCC(=O)C 1458a_100102632555_200000210301 [0,0,0,0,0,0|0,0,0]=0 413 B8R0.7 CCCCCCC(=O)[13CH3] 1458a_100102632555_200025704644 [0,0,0,0,0,0|0,0,0]=0 414 B8R0.7 CCCCCCN(C)C 2230a_100102631434_100000210314 [0,0,0,0,0,0|2,0,0]=2 415 B8R0.7 CCCCCCN(C)C 2230a_106256046315_200000210301 [0,0,0,0,0,0|2,0,0]=2 416 B8R0.7 CCCCCCN(C)C 269982a_100102631434_100000210757 [0,0,0,0,0,0|2,0,0]=2 417 B8R0.7 CCCCCCN(C)C 269982a_106256046315_200000210301 [0,0,0,0,0,0|2,0,0]=2 418 B8R0.7 CCCCCCN(C)[13CH3] 2230a_106256046315_200025704644 [0,0,0,0,0,0|2,0,0]=2 419 B8R0.7 CCCCCCN(C)[13CH3] 269982a_106256046315_200025704644 [0,0,0,0,0,0|2,0,0]=2 420 B8R0.7 CCCCCNC(=O)C 11a_100000209983_100015343762 [0,0,0,0,0,0|1,0,0]=1 421 B8R0.7 CCCCCNC(=O)C 1626a_100000209983_100015343762 [0,0,0,0,0,0|1,0,0]=1 422 B8R0.7 CCCCCNC(=O)C 240690a_100000209983_100015343762 [0,0,0,0,0,0|1,0,0]=1 423 B8R0.7 CCCCCNC(=O)C 527a_100000209983_100103153847 [0,0,0,0,0,0|1,0,0]=1 424 B8R0.7 CCCCCNC(C)C 2230a_100000209983_100000210206 [0,0,0,0,0,0|2,0,1]=3 425 B8R0.7 CCCCCNC(C)C 2230a_100138425928_100000210326 [0,0,0,0,0,0|2,0,1]=3 426 B8R0.7 CCCCCNC(C)C 34a_100138425928_100000718602 [0,0,0,0,0,0|2,0,1]=3 427 B8R0.7 CCCCCOC(C)C 34a_100000210253_100000210206 [0,0,0,0,0,0|2,0,1]=3 428 B8R0.7 CCCCCOC(C)C 34a_100000212225_100000718602 [0,0,0,0,0,0|2,0,1]=3 429 B8R0.7 CCCCCOC(C)C 7a_100000210253_100000210206 [0,0,0,0,0,0|2,0,1]=3 430 B8R0.7 CCCCCSC(C)C 62a_100000210206_100000210326 [0,0,0,0,0,0|2,0,1]=3 431 B8R0.7 CCCCCSC(C)C 62a_100000210326_100000210206 [0,0,0,0,0,0|2,0,1]=3 432 B8R0.7 CCCCNCC(=O)N 2230a_100000102301_100000747473 [0,0,0,0,0,0|2,0,0]=2 433 B8R0.7 CCCCNCC(=O)N 2230a_100000711301_100000210211 [0,0,0,0,0,0|2,0,0]=2 434 B8R0.7 CCCCNCC(=O)N 7a_106832991798_100000187820 [0,0,0,0,0,0|2,0,0]=2 435 B8R0.7 CCCCNCC(=O)O 269956a_100016091260_100000210211 [0,0,0,0,0,0|2,0,0]=2 436 B8R0.7 CCCCNCC(C)C 2230a_100000102301_100000210760 [0,0,0,0,0,0|2,0,1]=3 437 B8R0.7 CCCCNCC(C)C 2230a_100000210953_100000210211 [0,0,0,0,0,0|2,0,1]=3 438 B8R0.7 CCCCNCC(C)C 270004a_100000102301_100000210432 [0,0,0,0,0,0|2,0,1]=3 439 B8R0.7 CCCCNCC(C)C 34a_100000210953_100000210210 [0,0,0,0,0,0|2,0,1]=3 440 B8R0.7 CCCCNCC(C)C 7a_106832991798_100000210760 [0,0,0,0,0,0|2,0,1]=3 441 B8R0.7 CCCCNCC(C)O 2230a_100000102301_100011218427 [0,0,0,0,0,0|1,0,2]=3 442 B8R0.7 CCCCNCC(C)O 2230a_100000210904_100000210211 [0,0,0,0,0,0|1,0,2]=3 443 B8R0.7 CCCCNCC(C)O 34a_100000210904_100000210210 [0,0,0,0,0,0|1,0,2]=3 444 B8R0.7 CCCCNCC(C)O 7a_106832991798_100011218427 [0,0,0,0,0,0|1,0,2]=3 445 B8R0.7 CCCCNCC(F)F 2230a_100000102301_100011934356 [0,0,0,0,0,0|3,0,1]=4 446 B8R0.7 CCCCNCC(F)F 34a_100000765723_100000210210 [0,0,0,0,0,0|3,0,1]=4 447 B8R0.7 CCCCNCC(F)F 7a_106832991798_100011934356 [0,0,0,0,0,0|3,0,1]=4 448 B8R0.7 CCCCNC[C@@H](C)O 2230a_100000102301_100009817552 [0,0,0,0,0,0|1,0,2]=3 449 B8R0.7 CCCCNC[C@@H](C)O 7a_106832991798_100009817552 [0,0,0,0,0,0|1,0,2]=3 450 B8R0.7 CCCCNNC(=O)C 22a_100025702795_100000070787 [0,0,0,0,0,0|2,0,0]=2 451 B8R0.7 CCCCOCC(=O)C 1458a_100000070787_100011995733 [0,0,0,0,0,0|1,0,0]=1 452 B8R0.7 CCCCOCC(=O)C 1458a_100000757543_200000210301 [0,0,0,0,0,0|1,0,0]=1 453 B8R0.7 CCCCOCC(=O)C 34a_100000211253_100000210210 [0,0,0,0,0,0|1,0,0]=1 454 B8R0.7 CCCCOCC(=O)N 34a_100000210227_100000187820 [0,0,0,0,0,0|2,0,0]=2 455 B8R0.7 CCCCOCC(=O)N 7a_100000210227_100000187820 [0,0,0,0,0,0|2,0,0]=2 456 B8R0.7 CCCCOCC(=O)[13CH3] 1458a_100000757543_200025704644 [0,0,0,0,0,0|1,0,0]=1 457 B8R0.7 CCCCOCC(=O)[O-] 34a_100000210227_100020667443 [0,0,0,0,0,0|2,0,0]=2 458 B8R0.7 CCCCOCC(C)Br 34a_100012180447_100000210210 [0,0,0,0,0,0|2,0,1]=3 459 B8R0.7 CCCCOCC(C)C 34a_100000210227_100000210624 [0,0,0,0,0,0|2,0,1]=3 460 B8R0.7 CCCCOCC(C)C 34a_100000210257_100000210210 [0,0,0,0,0,0|2,0,1]=3 461 B8R0.7 CCCCOCC(C)C 7a_100000210227_100000210760 [0,0,0,0,0,0|2,0,1]=3 462 B8R0.7 CCCCOCC(C)F 34a_100015925927_100000210210 [0,0,0,0,0,0|2,0,1]=3 463 B8R0.7 CCCCOCC(C)O 34a_100000210227_100011218427 [0,0,0,0,0,0|1,0,2]=3 464 B8R0.7 CCCCOCC(C)O 7a_100000210227_100011218427 [0,0,0,0,0,0|1,0,2]=3 465 B8R0.7 CCCCOCC(F)F 34a_100000210227_100011934356 [0,0,0,0,0,0|3,0,1]=4 466 B8R0.7 CCCCOCC(F)F 34a_100000743014_100000210210 [0,0,0,0,0,0|3,0,1]=4 467 B8R0.7 CCCCOCC(F)F 7a_100000210227_100011934356 [0,0,0,0,0,0|3,0,1]=4 468 B8R0.7 CCCCOCN(C)C 2230a_100102631434_100011995733 [0,0,0,0,0,0|3,0,0]=3 469 B8R0.7 CCCCOCN(C)C 269982a_100102631434_100011995733 [0,0,0,0,0,0|3,0,0]=3 470 B8R0.7 CCCCOC[C@@H](C)Cl 34a_100016084084_100000210210 [0,0,0,0,0,0|2,0,1]=3 471 B8R0.7 CCCCOC[C@@H](C)N 34a_100000737577_100000210210 [0,0,0,0,0,0|2,0,1]=3 472 B8R0.7 CCCCOC[C@@H](C)O 34a_100000210227_100009817552 [0,0,0,0,0,0|1,0,2]=3 473 B8R0.7 CCCCOC[C@@H](C)O 7a_100000210227_100009817552 [0,0,0,0,0,0|1,0,2]=3 474 B8R0.7 CCCCOC[N+](=O)[O-] 34a_100000210227_100000761209 [0,0,0,0,0,0|3,0,0]=3 475 B8R0.7 CCCCSCC(=O)C 1458a_100000191162_200000210301 [0,0,0,0,0,0|1,0,0]=1 476 B8R0.7 CCCCSCC(=O)N 62a_100000210211_100000747473 [0,0,0,0,0,0|2,0,0]=2 477 B8R0.7 CCCCSCC(=O)N 62a_100000747473_100000210210 [0,0,0,0,0,0|2,0,0]=2 478 B8R0.7 CCCCSCC(=O)[13CH3] 1458a_100000191162_200025704644 [0,0,0,0,0,0|1,0,0]=1 479 B8R0.7 CCCCSCC(=O)[O-] 62a_100000210211_100020667443 [0,0,0,0,0,0|2,0,0]=2 480 B8R0.7 CCCCSCC(=O)[O-] 62a_100020667443_100000210210 [0,0,0,0,0,0|2,0,0]=2 481 B8R0.7 CCCCSCC(C)C 62a_100000210211_100000210760 [0,0,0,0,0,0|2,0,1]=3 482 B8R0.7 CCCCSCC(C)C 62a_100000210624_100000210210 [0,0,0,0,0,0|2,0,1]=3 483 B8R0.7 CCCCSCC(C)O 62a_100000210211_100011218427 [0,0,0,0,0,0|1,0,2]=3 484 B8R0.7 CCCCSCC(C)O 62a_100011218427_100000210210 [0,0,0,0,0,0|1,0,2]=3 485 B8R0.7 CCCCSCC(F)F 62a_100000210211_100011934356 [0,0,0,0,0,0|3,0,1]=4 486 B8R0.7 CCCCSCC(F)F 62a_100011934356_100000210210 [0,0,0,0,0,0|3,0,1]=4 487 B8R0.7 CCCCSC[C@@H](C)O 62a_100000210211_100009817552 [0,0,0,0,0,0|1,0,2]=3 488 B8R0.7 CCCCSC[C@@H](C)O 62a_100009817552_100000210210 [0,0,0,0,0,0|1,0,2]=3 489 B8R0.7 CCCCSC[N+](=O)[O-] 62a_100000210211_100000761209 [0,0,0,0,0,0|3,0,0]=3 490 B8R0.7 CCCNCC=C(C)C 34a_100000718196_100000210303 [0,0,0,0,0,0|2,0,1]=3 491 B8R0.7 CCCNCCC(C)C 269862a_100020643023_100000185833 [0,0,0,0,0,0|2,0,1]=3 492 B8R0.7 CCCNCCC(C)O 2230a_200000755665_100000210303 [0,0,0,0,0,0|1,0,2]=3 493 B8R0.7 CCCNOCC(=O)O 269956a_100000106656_100000210207 [0,0,0,0,0,0|3,0,0]=3 494 B8R0.7 CCCOCC=C(C)C 34a_100000210258_100000761012 [0,0,0,0,0,0|2,0,1]=3 495 B8R0.7 CCCOCC=C(C)C 34a_100000753907_100000210303 [0,0,0,0,0,0|2,0,1]=3 496 B8R0.7 CCCOCCC(=O)C 1458a_100000070787_100011215938 [0,0,0,0,0,0|1,0,0]=1 497 B8R0.7 CCCOCCC(=O)C 34a_100000759926_100000210303 [0,0,0,0,0,0|1,0,0]=1 498 B8R0.7 CCCOCCC(=O)C 7a_100000759926_100000210303 [0,0,0,0,0,0|1,0,0]=1 499 B8R0.7 CCCOCCC(=O)N 34a_100000210258_100000731001 [0,0,0,0,0,0|2,0,0]=2 500 B8R0.7 CCCOCCC(=O)N 34a_100000757172_100000210303 [0,0,0,0,0,0|2,0,0]=2 501 B8R0.7 CCCOCCC(=O)N 7a_100000757172_100000210303 [0,0,0,0,0,0|2,0,0]=2 502 B8R0.7 CCCOCCC(C)Br 34a_100009893172_100000210303 [0,0,0,0,0,0|2,0,1]=3 503 B8R0.7 CCCOCCC(C)C 34a_100000210254_100000210303 [0,0,0,0,0,0|2,0,1]=3 504 B8R0.7 CCCOCCC(C)C 34a_100000210258_100000210312 [0,0,0,0,0,0|2,0,1]=3 505 B8R0.7 CCCOCCC(C)C 7a_100000210254_100000210303 [0,0,0,0,0,0|2,0,1]=3 506 B8R0.7 CCCOCCC(C)O 34a_100000210258_100012276601 [0,0,0,0,0,0|1,0,2]=3 507 B8R0.7 CCCOCCC(F)F 34a_100103093639_100000210303 [0,0,0,0,0,0|3,0,1]=4 508 B8R0.7 CCCOCCN(C)C 2230a_100102631434_100011215938 [0,0,0,0,0,0|3,0,0]=3 509 B8R0.7 CCCOCCN(C)C 269982a_100102631434_100011215938 [0,0,0,0,0,0|3,0,0]=3 510 B8R0.7 CCCOCC[C@@H](C)N 34a_100000706166_100000210303 [0,0,0,0,0,0|2,0,1]=3 511 B8R0.7 CCCOCOC(=O)C 34a_100000210258_100009813279 [0,0,0,0,0,0|2,0,0]=2 512 B8R0.7 CCCOCOC(C)C 34a_100000210258_100000709892 [0,0,0,0,0,0|3,0,1]=4 513 B8R0.7 CCCSCC=C(C)C 62a_100000210303_100000761012 [0,0,0,0,0,0|2,0,1]=3 514 B8R0.7 CCCSCC=C(C)C 62a_100000761012_100000210303 [0,0,0,0,0,0|2,0,1]=3 515 B8R0.7 CCCSCCC(=O)C 62a_100000053229_100000210303 [0,0,0,0,0,0|1,0,0]=1 516 B8R0.7 CCCSCCC(=O)C 62a_100000210303_100000053229 [0,0,0,0,0,0|1,0,0]=1 517 B8R0.7 CCCSCCC(=O)N 62a_100000210303_100000744528 [0,0,0,0,0,0|2,0,0]=2 518 B8R0.7 CCCSCCC(=O)N 62a_100000744528_100000210303 [0,0,0,0,0,0|2,0,0]=2 519 B8R0.7 CCCSCCC(C)C 62a_100000210303_100000210312 [0,0,0,0,0,0|2,0,1]=3 520 B8R0.7 CCCSCCC(C)C 62a_100000210312_100000210303 [0,0,0,0,0,0|2,0,1]=3 521 B8R0.7 CCCSCCC(C)O 62a_100000210303_100012276601 [0,0,0,0,0,0|1,0,2]=3 522 B8R0.7 CCCSCCC(C)O 62a_100012276601_100000210303 [0,0,0,0,0,0|1,0,2]=3 523 B8R0.7 CCCSCCN(C)C 62a_100000210303_100000755713 [0,0,0,0,0,0|3,0,0]=3 524 B8R0.7 CCCSCOC(=O)C 62a_100000076356_100000210303 [0,0,0,0,0,0|2,0,0]=2 525 B8R0.7 CCCSCOC(=O)C 62a_100000210303_100000076356 [0,0,0,0,0,0|2,0,0]=2 526 B8R0.7 CCCSCOC(C)C 62a_100000210303_100000709892 [0,0,0,0,0,0|3,0,1]=4 527 B8R0.7 CCCSCOC(C)C 62a_100000709892_100000210303 [0,0,0,0,0,0|3,0,1]=4 528 B8R0.7 CCNCCC=C(C)C 2230a_100015525214_100011217483 [0,0,0,0,0,0|2,0,1]=3 529 B8R0.7 CCNCCC=C(F)F 2230a_100015525214_200009816681 [0,0,0,0,0,0|3,0,1]=4 530 B8R0.7 CCNCCCC(=O)N 34a_100000739312_100000210202 [0,0,0,0,0,0|2,0,0]=2 531 B8R0.7 CCNCCCC(C)C 2230a_100015525214_100011214892 [0,0,0,0,0,0|2,0,1]=3 532 B8R0.7 CCNCCCC(C)C 2230a_200000737386_100000210202 [0,0,0,0,0,0|2,0,1]=3 533 B8R0.7 CCNCCCC(C)C 34a_200000737386_100000210202 [0,0,0,0,0,0|2,0,1]=3 534 B8R0.7 CCNCCCC(C)O 2230a_100015525214_200000718107 [0,0,0,0,0,0|1,0,2]=3 535 B8R0.7 CCNCCCS(=O)C 2230a_200000753449_100000210202 [0,0,0,0,0,0|2,0,0]=2 536 B8R0.7 CCNCCNC(=O)C 2230a_100000209853_100000210202 [0,0,0,0,0,0|2,0,0]=2 537 B8R0.7 CCNCCNC(=O)C 2230a_100015525214_100000189650 [0,0,0,0,0,0|2,0,0]=2 538 B8R0.7 CCNCCNC(=O)N 2230a_100015525214_200000034859 [0,0,0,0,0,0|3,0,0]=3 539 B8R0.7 CCNCCNC(=O)N 34a_100020590234_100000210202 [0,0,0,0,0,0|3,0,0]=3 540 B8R0.7 CCNCCOC(C)C 2230a_100000701111_100000210202 [0,0,0,0,0,0|3,0,1]=4 541 B8R0.7 CCNCCOC(C)C 2230a_100015525214_100000211751 [0,0,0,0,0,0|3,0,1]=4 542 B8R0.7 CCNCCOC(C)C 34a_100000701111_100000210202 [0,0,0,0,0,0|3,0,1]=4 543 B8R0.7 CCNCCSC(C)C 2230a_100000731138_100000210202 [0,0,0,0,0,0|3,0,1]=4 544 B8R0.7 CCNCCSC(C)C 2230a_100015525214_100000730970 [0,0,0,0,0,0|3,0,1]=4 545 B8R0.7 CCNCCSC(C)C 34a_100000731138_100000210202 [0,0,0,0,0,0|3,0,1]=4 546 B8R0.7 CCOCCC=C(C)C 34a_100121572206_100011217483 [0,0,0,0,0,0|2,0,1]=3 547 B8R0.7 CCOCCC=C(F)F 34a_100121572206_200009816681 [0,0,0,0,0,0|3,0,1]=4 548 B8R0.7 CCOCCCC(=O)C 1458a_100000070787_100012232248 [0,0,0,0,0,0|1,0,0]=1 549 B8R0.7 CCOCCCC(=O)C 34a_100000759063_100000210202 [0,0,0,0,0,0|1,0,0]=1 550 B8R0.7 CCOCCCC(=O)C 34a_100121572206_100000685027 [0,0,0,0,0,0|1,0,0]=1 551 B8R0.7 CCOCCCC(=O)C 7a_100000759063_100000210202 [0,0,0,0,0,0|1,0,0]=1 552 B8R0.7 CCOCCCC(=O)N 34a_100121572206_100102525003 [0,0,0,0,0,0|2,0,0]=2 553 B8R0.7 CCOCCCC(C)C 34a_100000210774_100000210202 [0,0,0,0,0,0|2,0,1]=3 554 B8R0.7 CCOCCCC(C)C 34a_100121572206_100011214892 [0,0,0,0,0,0|2,0,1]=3 555 B8R0.7 CCOCCCC(C)C 7a_100000210774_100000210202 [0,0,0,0,0,0|2,0,1]=3 556 B8R0.7 CCOCCCC(C)O 34a_100121572206_200000718107 [0,0,0,0,0,0|1,0,2]=3 557 B8R0.7 CCOCCCN(C)C 2230a_100102631434_100012232248 [0,0,0,0,0,0|3,0,0]=3 558 B8R0.7 CCOCCCN(C)C 269982a_100102631434_100012232248 [0,0,0,0,0,0|3,0,0]=3 559 B8R0.7 CCOCCC[N+](=O)[O-] 34a_200000037920_100000210202 [0,0,0,0,0,0|3,0,0]=3 560 B8R0.7 CCOCCNC(=O)C 11a_100011200944_100015343762 [0,0,0,0,0,0|2,0,0]=2 561 B8R0.7 CCOCCNC(=O)C 1626a_102516460346_100015343762 [0,0,0,0,0,0|2,0,0]=2 562 B8R0.7 CCOCCNC(=O)C 240690a_100011200944_100015343762 [0,0,0,0,0,0|2,0,0]=2 563 B8R0.7 CCOCCNC(=O)C 34a_100000158858_100000210202 [0,0,0,0,0,0|2,0,0]=2 564 B8R0.7 CCOCCNC(=O)C 527a_100011200944_100103153847 [0,0,0,0,0,0|2,0,0]=2 565 B8R0.7 CCOCCNC(=O)N 34a_100000181757_100000210202 [0,0,0,0,0,0|3,0,0]=3 566 B8R0.7 CCOCCNC(C)C 2230a_100138425928_100011215890 [0,0,0,0,0,0|3,0,1]=4 567 B8R0.7 CCOCCNC(C)C 2230a_102516460346_100000210206 [0,0,0,0,0,0|3,0,1]=4 568 B8R0.7 CCOCCNC(C)C 34a_100000224655_100000210202 [0,0,0,0,0,0|3,0,1]=4 569 B8R0.7 CCOCCNC(C)C 34a_100138425928_100000210147 [0,0,0,0,0,0|3,0,1]=4 570 B8R0.7 CCOCCNC(C)C 34a_102516460346_100000210206 [0,0,0,0,0,0|3,0,1]=4 571 B8R0.7 CCOCCOC(=O)C 34a_100121572206_100009814007 [0,0,0,0,0,0|2,0,0]=2 572 B8R0.7 CCOCCOC(=O)N 34a_100121572206_200011214921 [0,0,0,0,0,0|3,0,0]=3 573 B8R0.7 CCOCCOC(=O)N 7a_100000766696_100000210202 [0,0,0,0,0,0|3,0,0]=3 574 B8R0.7 CCOCCOC(C)C 34a_100000210136_100000210206 [0,0,0,0,0,0|3,0,1]=4 575 B8R0.7 CCOCCOC(C)C 34a_100000211219_100000210202 [0,0,0,0,0,0|3,0,1]=4 576 B8R0.7 CCOCCOC(C)C 34a_100000212225_100000210147 [0,0,0,0,0,0|3,0,1]=4 577 B8R0.7 CCOCCOC(C)C 34a_100121572206_100000211751 [0,0,0,0,0,0|3,0,1]=4 578 B8R0.7 CCOCCOC(C)C 7a_100000210136_100000210206 [0,0,0,0,0,0|3,0,1]=4 579 B8R0.7 CCOCCOC(C)C 7a_100000211219_100000210202 [0,0,0,0,0,0|3,0,1]=4 580 B8R0.7 CCOCCSC(C)C 34a_100121572206_100000730970 [0,0,0,0,0,0|3,0,1]=4 581 B8R0.7 CCOCCSC(C)C 34a_200011212901_100000210202 [0,0,0,0,0,0|3,0,1]=4 582 B8R0.7 CCOCCSC(C)C 62a_100000210147_100000210206 [0,0,0,0,0,0|3,0,1]=4 583 B8R0.7 CCOCCSC(C)C 62a_100000210206_100011215890 [0,0,0,0,0,0|3,0,1]=4 584 B8R0.7 CCOCCSC(C)C 7a_200011212901_100000210202 [0,0,0,0,0,0|3,0,1]=4 585 B8R0.7 CCOCNCC(=O)O 269956a_100016091260_100000739092 [0,0,0,0,0,0|3,0,0]=3 586 B8R0.7 CCOCSCC(=O)N 62a_100000739092_100000747473 [0,0,0,0,0,0|3,0,0]=3 587 B8R0.7 CCOCSCC(=O)N 62a_100000747473_100000739092 [0,0,0,0,0,0|3,0,0]=3 588 B8R0.7 CCOCSCC(=O)[O-] 62a_100000739092_100020667443 [0,0,0,0,0,0|3,0,0]=3 589 B8R0.7 CCOCSCC(=O)[O-] 62a_100020667443_100000739092 [0,0,0,0,0,0|3,0,0]=3 590 B8R0.7 CCOCSCC(C)C 62a_100000210624_100000739092 [0,0,0,0,0,0|3,0,1]=4 591 B8R0.7 CCOCSCC(C)C 62a_100000739092_100000210760 [0,0,0,0,0,0|3,0,1]=4 592 B8R0.7 CCOCSCC(C)O 62a_100000739092_100011218427 [0,0,0,0,0,0|2,0,2]=4 593 B8R0.7 CCOCSCC(C)O 62a_100011218427_100000739092 [0,0,0,0,0,0|2,0,2]=4 594 B8R0.7 CCOCSC[C@@H](C)O 62a_100000739092_100009817552 [0,0,0,0,0,0|2,0,2]=4 595 B8R0.7 CCOCSC[C@@H](C)O 62a_100009817552_100000739092 [0,0,0,0,0,0|2,0,2]=4 596 B8R0.7 CCOCSC[N+](=O)[O-] 62a_100000739092_100000761209 [0,0,0,0,0,0|4,0,0]=4 597 B8R0.7 CCSCCC=C(C)C 62a_100000210202_100011217483 [0,0,0,0,0,0|2,0,1]=3 598 B8R0.7 CCSCCC=C(C)C 62a_100011217483_100000210202 [0,0,0,0,0,0|2,0,1]=3 599 B8R0.7 CCSCCC=C(F)F 62a_100000210202_200009816681 [0,0,0,0,0,0|3,0,1]=4 600 B8R0.7 CCSCCC=C(F)F 62a_200009816681_100000210202 [0,0,0,0,0,0|3,0,1]=4 601 B8R0.7 CCSCCCC(=O)C 62a_100000210202_100011215641 [0,0,0,0,0,0|1,0,0]=1 602 B8R0.7 CCSCCCC(=O)C 62a_100011215641_100000210202 [0,0,0,0,0,0|1,0,0]=1 603 B8R0.7 CCSCCCC(=O)N 62a_100000210202_100102525003 [0,0,0,0,0,0|2,0,0]=2 604 B8R0.7 CCSCCCC(=O)N 62a_100102525003_100000210202 [0,0,0,0,0,0|2,0,0]=2 605 B8R0.7 CCSCCCC(C)C 62a_100000210202_100011214892 [0,0,0,0,0,0|2,0,1]=3 606 B8R0.7 CCSCCCC(C)C 62a_100011214892_100000210202 [0,0,0,0,0,0|2,0,1]=3 607 B8R0.7 CCSCCCC(C)O 62a_100000210202_200000718107 [0,0,0,0,0,0|1,0,2]=3 608 B8R0.7 CCSCCCC(C)O 62a_200000718107_100000210202 [0,0,0,0,0,0|1,0,2]=3 609 B8R0.7 CCSCCCN(C)C 62a_100000210202_100000757444 [0,0,0,0,0,0|3,0,0]=3 610 B8R0.7 CCSCCNC(=O)C 11a_100000106463_100015343762 [0,0,0,0,0,0|2,0,0]=2 611 B8R0.7 CCSCCNC(=O)C 1626a_100000106463_100015343762 [0,0,0,0,0,0|2,0,0]=2 612 B8R0.7 CCSCCNC(=O)C 240690a_100000106463_100015343762 [0,0,0,0,0,0|2,0,0]=2 613 B8R0.7 CCSCCNC(=O)C 527a_100000106463_100103153847 [0,0,0,0,0,0|2,0,0]=2 614 B8R0.7 CCSCCNC(=O)C 62a_100000189650_100000210202 [0,0,0,0,0,0|2,0,0]=2 615 B8R0.7 CCSCCNC(=O)C 62a_100000210202_100000189650 [0,0,0,0,0,0|2,0,0]=2 616 B8R0.7 CCSCCNC(=O)N 62a_100000210202_200000034859 [0,0,0,0,0,0|3,0,0]=3 617 B8R0.7 CCSCCNC(=O)N 62a_200000034859_100000210202 [0,0,0,0,0,0|3,0,0]=3 618 B8R0.7 CCSCCNC(C)C 2230a_100000106463_100000210206 [0,0,0,0,0,0|3,0,1]=4 619 B8R0.7 CCSCCNC(C)C 2230a_100138425928_100000757381 [0,0,0,0,0,0|3,0,1]=4 620 B8R0.7 CCSCCNC(C)C 34a_100138425928_100000757381 [0,0,0,0,0,0|3,0,1]=4 621 B8R0.7 CCSCCOC(=O)C 62a_100000210202_100009814007 [0,0,0,0,0,0|2,0,0]=2 622 B8R0.7 CCSCCOC(=O)C 62a_100009814007_100000210202 [0,0,0,0,0,0|2,0,0]=2 623 B8R0.7 CCSCCOC(=O)N 62a_100000210202_200011214921 [0,0,0,0,0,0|3,0,0]=3 624 B8R0.7 CCSCCOC(=O)N 62a_200011214921_100000210202 [0,0,0,0,0,0|3,0,0]=3 625 B8R0.7 CCSCCOC(C)C 34a_100000212035_100000210206 [0,0,0,0,0,0|3,0,1]=4 626 B8R0.7 CCSCCOC(C)C 34a_100000212225_100000757381 [0,0,0,0,0,0|3,0,1]=4 627 B8R0.7 CCSCCOC(C)C 62a_100000210202_100000211751 [0,0,0,0,0,0|3,0,1]=4 628 B8R0.7 CCSCCOC(C)C 62a_100000211751_100000210202 [0,0,0,0,0,0|3,0,1]=4 629 B8R0.7 CCSCCOC(C)C 7a_100000212035_100000210206 [0,0,0,0,0,0|3,0,1]=4 630 B8R0.7 CCSCCSC(C)C 62a_100000210202_100000730970 [0,0,0,0,0,0|3,0,1]=4 631 B8R0.7 CCSCCSC(C)C 62a_100000210206_100000757381 [0,0,0,0,0,0|3,0,1]=4 632 B8R0.7 CCSCCSC(C)C 62a_100000730970_100000210202 [0,0,0,0,0,0|3,0,1]=4 633 B8R0.7 CCSCCSC(C)C 62a_100000757381_100000210206 [0,0,0,0,0,0|3,0,1]=4 634 B8R0.7 CN(C)CCCCC#N 2230a_100102631434_100000211819 [0,0,0,0,0,0|3,0,1]=4 635 B8R0.7 CN(C)CCCCC#N 269982a_100102631434_100011219923 [0,0,0,0,0,0|3,0,1]=4 636 B8R0.7 CN(C)CCCCC=O 2230a_100102631434_100000139335 [0,0,0,0,0,0|3,0,1]=4 637 B8R0.7 CN(C)CCCCC=O 269982a_100102631434_100000139335 [0,0,0,0,0,0|3,0,1]=4 638 B8R0.7 CN(C)CCCCCF 2230a_100102631434_100000729378 [0,0,0,0,0,0|3,0,0]=3 639 B8R0.7 CN(C)CCCCCF 269982a_100102631434_100000729378 [0,0,0,0,0,0|3,0,0]=3 640 B8R0.7 CN(C)CCCCCO 2230a_100000722520_200000210301 [0,0,0,0,0,0|3,0,0]=3 641 B8R0.7 CN(C)CCCCCO 2230a_100102631434_100000746330 [0,0,0,0,0,0|3,0,0]=3 642 B8R0.7 CN(C)CCCCCO 269982a_100000722520_200000210301 [0,0,0,0,0,0|3,0,0]=3 643 B8R0.7 CN(C)CCCCCO 269982a_100102631434_100000746330 [0,0,0,0,0,0|3,0,0]=3 644 B8R0.7 CN(C)CCCCS[13CH3] 62a_200025704644_100000690147 [0,0,0,0,0,0|3,0,0]=3 645 B8R0.7 CN(C)CCCSCF 62a_100015361967_100000757444 [0,0,0,0,0,0|4,0,0]=4 646 B8R0.7 CN(C)CCOCCO 2230a_100000228057_200000210301 [0,0,0,0,0,0|4,0,0]=4 647 B8R0.7 CN(C)CCOCCO 2230a_100102631434_100011215305 [0,0,0,0,0,0|4,0,0]=4 648 B8R0.7 CN(C)CCOCCO 269982a_100000228057_200000210301 [0,0,0,0,0,0|4,0,0]=4 649 B8R0.7 CN(C)CCOCCO 269982a_100102631434_100011215305 [0,0,0,0,0,0|4,0,0]=4 650 B8R0.7 CN(C)CCSCCF 62a_100011217306_100000755713 [0,0,0,0,0,0|4,0,0]=4 651 B8R0.7 CN(C)CCSCCO 62a_100000211926_100000755713 [0,0,0,0,0,0|4,0,0]=4 652 B8R0.7 CN([13CH3])CCCCCO 2230a_100000722520_200025704644 [0,0,0,0,0,0|3,0,0]=3 653 B8R0.7 CN([13CH3])CCCCCO 269982a_100000722520_200025704644 [0,0,0,0,0,0|3,0,0]=3 654 B8R0.7 CN([13CH3])CCOCCO 2230a_100000228057_200025704644 [0,0,0,0,0,0|4,0,0]=4 655 B8R0.7 CN([13CH3])CCOCCO 269982a_100000228057_200025704644 [0,0,0,0,0,0|4,0,0]=4 656 B8R0.7 CNCCCCB(O)O 2230a_106832991635_200009817182 [0,0,0,0,0,0|3,0,1]=4 657 B8R0.7 CNCCCCB(O)O 34a_100102657272_200009817182 [0,0,0,0,0,0|3,0,1]=4 658 B8R0.7 CNCCCCB(O)O 7a_106832991635_200009817182 [0,0,0,0,0,0|3,0,1]=4 659 B8R0.7 CNCCCCC(=O)C 34a_100102657272_100009817362 [0,0,0,0,0,0|1,0,0]=1 660 B8R0.7 CNCCCCC(=O)C 7a_106832991635_100000735457 [0,0,0,0,0,0|1,0,0]=1 661 B8R0.7 CNCCCCC(=O)N 34a_100000696515_200000210301 [0,0,0,0,0,0|2,0,0]=2 662 B8R0.7 CNCCCCC(C)C 2230a_106832991635_100011216152 [0,0,0,0,0,0|2,0,1]=3 663 B8R0.7 CNCCCCC(C)C 34a_100102657272_100011216152 [0,0,0,0,0,0|2,0,1]=3 664 B8R0.7 CNCCCCC(C)C 7a_106832991635_100011216152 [0,0,0,0,0,0|2,0,1]=3 665 B8R0.7 CNCCCNC(=O)C 34a_100000736810_200000210301 [0,0,0,0,0,0|2,0,0]=2 666 B8R0.7 CNCCCOC(=O)C 34a_100102657272_100000042594 [0,0,0,0,0,0|2,0,0]=2 667 B8R0.7 CNCCCOC(=O)C 7a_106832991635_100000042594 [0,0,0,0,0,0|2,0,0]=2 668 B8R0.7 CNCCCOC(=S)C 2230a_106832991635_200135323944 [0,0,0,0,0,0|2,1,0]=3 669 B8R0.7 CNCCCOC(=S)C 34a_100102657272_200135323944 [0,0,0,0,0,0|2,1,0]=3 670 B8R0.7 CNCCCOC(=S)C 7a_106832991635_200135323944 [0,0,0,0,0,0|2,1,0]=3 671 B8R0.7 CNCCCOC(C)C 2230a_100000737246_200000210301 [0,0,0,0,0,0|3,0,1]=4 672 B8R0.7 CNCCCOC(C)C 34a_100000213112_100000210206 [0,0,0,0,0,0|3,0,1]=4 673 B8R0.7 CNCCCOC(C)C 34a_100000737246_200000210301 [0,0,0,0,0,0|3,0,1]=4 674 B8R0.7 CNCCCSC(=O)C 2230a_106832991635_100000038929 [0,0,0,0,0,0|2,0,0]=2 675 B8R0.7 CNCCCSC(=O)C 34a_100102657272_100000038929 [0,0,0,0,0,0|2,0,0]=2 676 B8R0.7 CNCCCSC(=O)C 7a_106832991635_100000038929 [0,0,0,0,0,0|2,0,0]=2 677 B8R0.7 CNCCOCC(=O)N 2230a_106832991635_100000076697 [0,0,0,0,0,0|3,0,0]=3 678 B8R0.7 CNCCOCC(=O)N 34a_100102657272_100000076697 [0,0,0,0,0,0|3,0,0]=3 679 B8R0.7 CNCCOCC(=O)N 7a_106832991635_100000076697 [0,0,0,0,0,0|3,0,0]=3 680 B8R0.7 CNCCOCC(=O)O 269956a_100000700818_200000210301 [0,0,0,0,0,0|3,0,0]=3 681 B8R0.7 COCCCCB(O)O 34a_100138415774_200009817182 [0,0,0,0,0,0|3,0,1]=4 682 B8R0.7 COCCCCC(=O)C 1458a_100000070787_100000755781 [0,0,0,0,0,0|1,0,0]=1 683 B8R0.7 COCCCCC(=O)C 34a_100138415774_100009817362 [0,0,0,0,0,0|1,0,0]=1 684 B8R0.7 COCCCCC(=O)N 34a_100012022536_200000210301 [0,0,0,0,0,0|2,0,0]=2 685 B8R0.7 COCCCCC(=O)N 7a_100012022536_200000210301 [0,0,0,0,0,0|2,0,0]=2 686 B8R0.7 COCCCCC(C)C 34a_100011214890_200000210301 [0,0,0,0,0,0|2,0,1]=3 687 B8R0.7 COCCCCC(C)C 34a_100138415774_100011216152 [0,0,0,0,0,0|2,0,1]=3 688 B8R0.7 COCCCCC(C)C 7a_100011214890_200000210301 [0,0,0,0,0,0|2,0,1]=3 689 B8R0.7 COCCCCN(C)C 2230a_100102631434_100000730899 [0,0,0,0,0,0|3,0,0]=3 690 B8R0.7 COCCCCN(C)C 269982a_100102631434_100000730899 [0,0,0,0,0,0|3,0,0]=3 691 B8R0.7 COCCCC[N+](=O)[O-] 34a_200015379883_200000210301 [0,0,0,0,0,0|3,0,0]=3 692 B8R0.7 COCCCC[N+](=O)[O-] 7a_200015379883_200000210301 [0,0,0,0,0,0|3,0,0]=3 693 B8R0.7 COCCCNC(=O)C 1626a_100150723488_100015343762 [0,0,0,0,0,0|2,0,0]=2 694 B8R0.7 COCCCNC(=O)C 240690a_100150723488_100015343762 [0,0,0,0,0,0|2,0,0]=2 695 B8R0.7 COCCCNC(=O)C 34a_100000752032_200000210301 [0,0,0,0,0,0|2,0,0]=2 696 B8R0.7 COCCCNC(=O)C 527a_100150723488_100103153847 [0,0,0,0,0,0|2,0,0]=2 697 B8R0.7 COCCCNC(C)C 2230a_100138425928_100000740836 [0,0,0,0,0,0|3,0,1]=4 698 B8R0.7 COCCCNC(C)C 34a_100000182298_200000210301 [0,0,0,0,0,0|3,0,1]=4 699 B8R0.7 COCCCNC(C)C 34a_100138425928_100000740836 [0,0,0,0,0,0|3,0,1]=4 700 B8R0.7 COCCCNC(C)C 34a_100150723488_100000210206 [0,0,0,0,0,0|3,0,1]=4 701 B8R0.7 COCCCOC(=O)C 34a_100138415774_100000042594 [0,0,0,0,0,0|2,0,0]=2 702 B8R0.7 COCCCOC(=S)C 34a_100138415774_200135323944 [0,0,0,0,0,0|2,1,0]=3 703 B8R0.7 COCCCOC(C)C 34a_100000212225_100000740836 [0,0,0,0,0,0|3,0,1]=4 704 B8R0.7 COCCCOC(C)C 34a_100000740835_100000210206 [0,0,0,0,0,0|3,0,1]=4 705 B8R0.7 COCCCSC(=O)C 34a_100138415774_100000038929 [0,0,0,0,0,0|2,0,0]=2 706 B8R0.7 COCCCSC(C)C 62a_100000210206_100000709357 [0,0,0,0,0,0|3,0,1]=4 707 B8R0.7 COCCCSC(C)C 62a_100000709357_100000210206 [0,0,0,0,0,0|3,0,1]=4 708 B8R0.7 COCCNCC(=O)N 2230a_100000209980_100000747473 [0,0,0,0,0,0|3,0,0]=3 709 B8R0.7 COCCNCC(=O)N 2230a_100000711301_100011201679 [0,0,0,0,0,0|3,0,0]=3 710 B8R0.7 COCCNCC(=O)O 269956a_100016091260_100000233755 [0,0,0,0,0,0|3,0,0]=3 711 B8R0.7 COCCNCC(C)C 2230a_100000209980_100000210760 [0,0,0,0,0,0|3,0,1]=4 712 B8R0.7 COCCNCC(C)C 2230a_100000210953_100011201679 [0,0,0,0,0,0|3,0,1]=4 713 B8R0.7 COCCNCC(C)C 270004a_100000209980_100000210432 [0,0,0,0,0,0|3,0,1]=4 714 B8R0.7 COCCNCC(C)C 34a_100000210953_100011201679 [0,0,0,0,0,0|3,0,1]=4 715 B8R0.7 COCCNCC(C)C 34a_100015185251_200000210301 [0,0,0,0,0,0|3,0,1]=4 716 B8R0.7 COCCNCC(C)O 2230a_100000209980_100011218427 [0,0,0,0,0,0|2,0,2]=4 717 B8R0.7 COCCNCC(C)O 2230a_100000210904_100011201679 [0,0,0,0,0,0|2,0,2]=4 718 B8R0.7 COCCNCC(C)O 34a_100000210904_100011201679 [0,0,0,0,0,0|2,0,2]=4 719 B8R0.7 COCCNC[C@@H](C)O 2230a_100000209980_100009817552 [0,0,0,0,0,0|2,0,2]=4 720 B8R0.7 COCCNNC(=O)C 22a_100000741390_100000070787 [0,0,0,0,0,0|3,0,0]=3 721 B8R0.7 COCCOCC(=O)C 1458a_100000211095_200000210301 [0,0,0,0,0,0|2,0,0]=2 722 B8R0.7 COCCOCC(=O)C 34a_100000211253_100011201679 [0,0,0,0,0,0|2,0,0]=2 723 B8R0.7 COCCOCC(=O)N 34a_100000210237_100000187820 [0,0,0,0,0,0|3,0,0]=3 724 B8R0.7 COCCOCC(=O)N 34a_100138415774_100000076697 [0,0,0,0,0,0|3,0,0]=3 725 B8R0.7 COCCOCC(=O)[13CH3] 1458a_100000211095_200025704644 [0,0,0,0,0,0|2,0,0]=2 726 B8R0.7 COCCOCC(=O)[O-] 34a_100000210237_100020667443 [0,0,0,0,0,0|3,0,0]=3 727 B8R0.7 COCCOCC(C)Br 34a_100012180447_100011201679 [0,0,0,0,0,0|3,0,1]=4 728 B8R0.7 COCCOCC(C)C 34a_100000210237_100000210624 [0,0,0,0,0,0|3,0,1]=4 729 B8R0.7 COCCOCC(C)C 34a_100000210257_100011201679 [0,0,0,0,0,0|3,0,1]=4 730 B8R0.7 COCCOCC(C)C 34a_100000703358_200000210301 [0,0,0,0,0,0|3,0,1]=4 731 B8R0.7 COCCOCC(C)C 7a_100000703358_200000210301 [0,0,0,0,0,0|3,0,1]=4 732 B8R0.7 COCCOCC(C)F 34a_100015925927_100011201679 [0,0,0,0,0,0|3,0,1]=4 733 B8R0.7 COCCOCC(C)O 34a_100000210237_100011218427 [0,0,0,0,0,0|2,0,2]=4 734 B8R0.7 COCCOCN(C)C 2230a_100102631434_100000231047 [0,0,0,0,0,0|4,0,0]=4 735 B8R0.7 COCCOCN(C)C 269982a_100102631434_100000231047 [0,0,0,0,0,0|4,0,0]=4 736 B8R0.7 COCCOC[C@@H](C)Cl 34a_100016084084_100011201679 [0,0,0,0,0,0|3,0,1]=4 737 B8R0.7 COCCOC[C@@H](C)N 34a_100000737577_100011201679 [0,0,0,0,0,0|3,0,1]=4 738 B8R0.7 COCCOC[C@@H](C)O 34a_100000210237_100009817552 [0,0,0,0,0,0|2,0,2]=4 739 B8R0.7 COCCOC[N+](=O)[O-] 34a_100000210237_100000761209 [0,0,0,0,0,0|4,0,0]=4 740 B8R0.7 COCCSCC(=O)N 62a_100000233755_100000747473 [0,0,0,0,0,0|3,0,0]=3 741 B8R0.7 COCCSCC(=O)N 62a_100000747473_100000233755 [0,0,0,0,0,0|3,0,0]=3 742 B8R0.7 COCCSCC(=O)[O-] 62a_100000233755_100020667443 [0,0,0,0,0,0|3,0,0]=3 743 B8R0.7 COCCSCC(=O)[O-] 62a_100020667443_100000233755 [0,0,0,0,0,0|3,0,0]=3 744 B8R0.7 COCCSCC(C)C 34a_200000230437_200000210301 [0,0,0,0,0,0|3,0,1]=4 745 B8R0.7 COCCSCC(C)C 62a_100000210624_100000233755 [0,0,0,0,0,0|3,0,1]=4 746 B8R0.7 COCCSCC(C)C 62a_100000233755_100000210760 [0,0,0,0,0,0|3,0,1]=4 747 B8R0.7 COCCSCC(C)C 7a_200000230437_200000210301 [0,0,0,0,0,0|3,0,1]=4 748 B8R0.7 COCCSCC(C)O 62a_100000233755_100011218427 [0,0,0,0,0,0|2,0,2]=4 749 B8R0.7 COCCSCC(C)O 62a_100011218427_100000233755 [0,0,0,0,0,0|2,0,2]=4 750 B8R0.7 COCCSC[C@@H](C)O 62a_100000233755_100009817552 [0,0,0,0,0,0|2,0,2]=4 751 B8R0.7 COCCSC[C@@H](C)O 62a_100009817552_100000233755 [0,0,0,0,0,0|2,0,2]=4 752 B8R0.7 COCCSC[N+](=O)[O-] 62a_100000233755_100000761209 [0,0,0,0,0,0|4,0,0]=4 753 B8R0.7 COCNCCC(C)O 2230a_200000755665_100000766300 [0,0,0,0,0,0|2,0,2]=4 754 B8R0.7 COCNOCC(=O)O 269956a_100000106656_100000766300 [0,0,0,0,0,0|4,0,0]=4 755 B8R0.7 COCSCC=C(C)C 62a_100000761012_100000766300 [0,0,0,0,0,0|3,0,1]=4 756 B8R0.7 COCSCC=C(C)C 62a_100000766300_100000761012 [0,0,0,0,0,0|3,0,1]=4 757 B8R0.7 COCSCCC(=O)C 62a_100000053229_100000766300 [0,0,0,0,0,0|2,0,0]=2 758 B8R0.7 COCSCCC(=O)C 62a_100000766300_100000053229 [0,0,0,0,0,0|2,0,0]=2 759 B8R0.7 COCSCCC(=O)N 62a_100000744528_100000766300 [0,0,0,0,0,0|3,0,0]=3 760 B8R0.7 COCSCCC(=O)N 62a_100000766300_100000744528 [0,0,0,0,0,0|3,0,0]=3 761 B8R0.7 COCSCCC(C)C 62a_100000210312_100000766300 [0,0,0,0,0,0|3,0,1]=4 762 B8R0.7 COCSCCC(C)C 62a_100000766300_100000210312 [0,0,0,0,0,0|3,0,1]=4 763 B8R0.7 COCSCCC(C)O 62a_100000766300_100012276601 [0,0,0,0,0,0|2,0,2]=4 764 B8R0.7 COCSCCC(C)O 62a_100012276601_100000766300 [0,0,0,0,0,0|2,0,2]=4 765 B8R0.7 COCSCCN(C)C 62a_100000766300_100000755713 [0,0,0,0,0,0|4,0,0]=4 766 B8R0.7 COCSCOC(=O)C 62a_100000076356_100000766300 [0,0,0,0,0,0|3,0,0]=3 767 B8R0.7 COCSCOC(=O)C 62a_100000766300_100000076356 [0,0,0,0,0,0|3,0,0]=3 768 B8R0.7 CSCCCCB(O)O 62a_200000210301_200009817182 [0,0,0,0,0,0|3,0,1]=4 769 B8R0.7 CSCCCCB(O)O 62a_200009817182_200000210301 [0,0,0,0,0,0|3,0,1]=4 770 B8R0.7 CSCCCCC(=O)C 62a_100000735457_200000210301 [0,0,0,0,0,0|1,0,0]=1 771 B8R0.7 CSCCCCC(=O)C 62a_200000210301_100000735457 [0,0,0,0,0,0|1,0,0]=1 772 B8R0.7 CSCCCCC(C)C 62a_100011216152_200000210301 [0,0,0,0,0,0|2,0,1]=3 773 B8R0.7 CSCCCCC(C)C 62a_200000210301_100011216152 [0,0,0,0,0,0|2,0,1]=3 774 B8R0.7 CSCCCCN(C)C 62a_200000210301_100000690147 [0,0,0,0,0,0|3,0,0]=3 775 B8R0.7 CSCCCNC(=O)C 11a_100000749238_100015343762 [0,0,0,0,0,0|2,0,0]=2 776 B8R0.7 CSCCCNC(=O)C 1626a_100000749238_100015343762 [0,0,0,0,0,0|2,0,0]=2 777 B8R0.7 CSCCCNC(=O)C 240690a_100000749238_100015343762 [0,0,0,0,0,0|2,0,0]=2 778 B8R0.7 CSCCCNC(=O)C 527a_100000749238_100103153847 [0,0,0,0,0,0|2,0,0]=2 779 B8R0.7 CSCCCNC(C)C 2230a_100000749238_100000210206 [0,0,0,0,0,0|3,0,1]=4 780 B8R0.7 CSCCCOC(=O)C 62a_100000042594_200000210301 [0,0,0,0,0,0|2,0,0]=2 781 B8R0.7 CSCCCOC(=O)C 62a_200000210301_100000042594 [0,0,0,0,0,0|2,0,0]=2 782 B8R0.7 CSCCCOC(=S)C 62a_200000210301_200135323944 [0,0,0,0,0,0|2,1,0]=3 783 B8R0.7 CSCCCOC(=S)C 62a_200135323944_200000210301 [0,0,0,0,0,0|2,1,0]=3 784 B8R0.7 CSCCCOC(C)C 34a_100000690336_100000210206 [0,0,0,0,0,0|3,0,1]=4 785 B8R0.7 CSCCCOC(C)C 7a_100000690336_100000210206 [0,0,0,0,0,0|3,0,1]=4 786 B8R0.7 CSCCCSC(=O)C 62a_100000038929_200000210301 [0,0,0,0,0,0|2,0,0]=2 787 B8R0.7 CSCCCSC(=O)C 62a_200000210301_100000038929 [0,0,0,0,0,0|2,0,0]=2 788 B8R0.7 CSCCNCC(=O)N 2230a_100000711301_100000751147 [0,0,0,0,0,0|3,0,0]=3 789 B8R0.7 CSCCNCC(=O)N 2230a_100020590264_100000747473 [0,0,0,0,0,0|3,0,0]=3 790 B8R0.7 CSCCNCC(=O)O 269956a_100016091260_100000212216 [0,0,0,0,0,0|3,0,0]=3 791 B8R0.7 CSCCNCC(C)C 2230a_100000210953_100000751147 [0,0,0,0,0,0|3,0,1]=4 792 B8R0.7 CSCCNCC(C)C 2230a_100020590264_100000210760 [0,0,0,0,0,0|3,0,1]=4 793 B8R0.7 CSCCNCC(C)C 270004a_100020590264_100000210432 [0,0,0,0,0,0|3,0,1]=4 794 B8R0.7 CSCCNCC(C)C 34a_100000210953_100000212216 [0,0,0,0,0,0|3,0,1]=4 795 B8R0.7 CSCCNCC(C)O 2230a_100000210904_100000751147 [0,0,0,0,0,0|2,0,2]=4 796 B8R0.7 CSCCNCC(C)O 2230a_100020590264_100011218427 [0,0,0,0,0,0|2,0,2]=4 797 B8R0.7 CSCCNCC(C)O 34a_100000210904_100000212216 [0,0,0,0,0,0|2,0,2]=4 798 B8R0.7 CSCCNC[C@@H](C)O 2230a_100020590264_100009817552 [0,0,0,0,0,0|2,0,2]=4 799 B8R0.7 CSCCOCC(=O)C 34a_100000211253_100000212216 [0,0,0,0,0,0|2,0,0]=2 800 B8R0.7 CSCCOCC(=O)N 34a_100000230434_100000187820 [0,0,0,0,0,0|3,0,0]=3 801 B8R0.7 CSCCOCC(=O)N 62a_100000076697_200000210301 [0,0,0,0,0,0|3,0,0]=3 802 B8R0.7 CSCCOCC(=O)N 62a_200000210301_100000076697 [0,0,0,0,0,0|3,0,0]=3 803 B8R0.7 CSCCOCC(=O)N 7a_100000230434_100000187820 [0,0,0,0,0,0|3,0,0]=3 804 B8R0.7 CSCCOCC(=O)[O-] 34a_100000230434_100020667443 [0,0,0,0,0,0|3,0,0]=3 805 B8R0.7 CSCCOCC(C)Br 34a_100012180447_100000212216 [0,0,0,0,0,0|3,0,1]=4 806 B8R0.7 CSCCOCC(C)C 34a_100000210257_100000212216 [0,0,0,0,0,0|3,0,1]=4 807 B8R0.7 CSCCOCC(C)C 34a_100000230434_100000210624 [0,0,0,0,0,0|3,0,1]=4 808 B8R0.7 CSCCOCC(C)C 7a_100000230434_100000210760 [0,0,0,0,0,0|3,0,1]=4 809 B8R0.7 CSCCOCC(C)F 34a_100015925927_100000212216 [0,0,0,0,0,0|3,0,1]=4 810 B8R0.7 CSCCOCC(C)O 34a_100000230434_100011218427 [0,0,0,0,0,0|2,0,2]=4 811 B8R0.7 CSCCOCC(C)O 7a_100000230434_100011218427 [0,0,0,0,0,0|2,0,2]=4 812 B8R0.7 CSCCOC[C@@H](C)Cl 34a_100016084084_100000212216 [0,0,0,0,0,0|3,0,1]=4 813 B8R0.7 CSCCOC[C@@H](C)N 34a_100000737577_100000212216 [0,0,0,0,0,0|3,0,1]=4 814 B8R0.7 CSCCOC[C@@H](C)O 34a_100000230434_100009817552 [0,0,0,0,0,0|2,0,2]=4 815 B8R0.7 CSCCOC[C@@H](C)O 7a_100000230434_100009817552 [0,0,0,0,0,0|2,0,2]=4 816 B8R0.7 CSCCOC[N+](=O)[O-] 34a_100000230434_100000761209 [0,0,0,0,0,0|4,0,0]=4 817 B8R0.7 CSCCSCC(=O)N 62a_100000212216_100000747473 [0,0,0,0,0,0|3,0,0]=3 818 B8R0.7 CSCCSCC(=O)N 62a_100000747473_100000751147 [0,0,0,0,0,0|3,0,0]=3 819 B8R0.7 CSCCSCC(=O)[O-] 62a_100000212216_100020667443 [0,0,0,0,0,0|3,0,0]=3 820 B8R0.7 CSCCSCC(=O)[O-] 62a_100020667443_100000751147 [0,0,0,0,0,0|3,0,0]=3 821 B8R0.7 CSCCSCC(C)C 62a_100000210624_100000751147 [0,0,0,0,0,0|3,0,1]=4 822 B8R0.7 CSCCSCC(C)C 62a_100000212216_100000210760 [0,0,0,0,0,0|3,0,1]=4 823 B8R0.7 CSCCSCC(C)O 62a_100000212216_100011218427 [0,0,0,0,0,0|2,0,2]=4 824 B8R0.7 CSCCSCC(C)O 62a_100011218427_100000751147 [0,0,0,0,0,0|2,0,2]=4 825 B8R0.7 CSCCSC[C@@H](C)O 62a_100000212216_100009817552 [0,0,0,0,0,0|2,0,2]=4 826 B8R0.7 CSCCSC[C@@H](C)O 62a_100009817552_100000751147 [0,0,0,0,0,0|2,0,2]=4 827 B8R0.7 CSCCSC[N+](=O)[O-] 62a_100000212216_100000761209 [0,0,0,0,0,0|4,0,0]=4 828 B8R0.7 CSCNCC=C(C)C 34a_100000718196_100011218213 [0,0,0,0,0,0|3,0,1]=4 829 B8R0.7 CSCNCCC(C)O 2230a_200000755665_100011218213 [0,0,0,0,0,0|2,0,2]=4 830 B8R0.7 CSCNOCC(=O)O 269956a_100000106656_100011218213 [0,0,0,0,0,0|4,0,0]=4 831 B8R0.7 CSCOCC=C(C)C 34a_100000753907_100011218213 [0,0,0,0,0,0|3,0,1]=4 832 B8R0.7 CSCOCCC(=O)C 34a_100000759926_100011218213 [0,0,0,0,0,0|2,0,0]=2 833 B8R0.7 CSCOCCC(=O)N 34a_100000757172_100011218213 [0,0,0,0,0,0|3,0,0]=3 834 B8R0.7 CSCOCCC(C)Br 34a_100009893172_100011218213 [0,0,0,0,0,0|3,0,1]=4 835 B8R0.7 CSCOCCC(C)C 34a_100000210254_100011218213 [0,0,0,0,0,0|3,0,1]=4 836 B8R0.7 CSCOCC[C@@H](C)N 34a_100000706166_100011218213 [0,0,0,0,0,0|3,0,1]=4 837 B8R0.7 CSCSCC=C(C)C 62a_100000761012_100011218213 [0,0,0,0,0,0|3,0,1]=4 838 B8R0.7 CSCSCC=C(C)C 62a_100011218213_100000761012 [0,0,0,0,0,0|3,0,1]=4 839 B8R0.7 CSCSCCC(=O)C 62a_100000053229_100011218213 [0,0,0,0,0,0|2,0,0]=2 840 B8R0.7 CSCSCCC(=O)C 62a_100011218213_100000053229 [0,0,0,0,0,0|2,0,0]=2 841 B8R0.7 CSCSCCC(=O)N 62a_100000744528_100011218213 [0,0,0,0,0,0|3,0,0]=3 842 B8R0.7 CSCSCCC(=O)N 62a_100011218213_100000744528 [0,0,0,0,0,0|3,0,0]=3 843 B8R0.7 CSCSCCC(C)C 62a_100000210312_100011218213 [0,0,0,0,0,0|3,0,1]=4 844 B8R0.7 CSCSCCC(C)C 62a_100011218213_100000210312 [0,0,0,0,0,0|3,0,1]=4 845 B8R0.7 CSCSCCC(C)O 62a_100011218213_100012276601 [0,0,0,0,0,0|2,0,2]=4 846 B8R0.7 CSCSCCC(C)O 62a_100012276601_100011218213 [0,0,0,0,0,0|2,0,2]=4 847 B8R0.7 CSCSCCN(C)C 62a_100011218213_100000755713 [0,0,0,0,0,0|4,0,0]=4 848 B8R0.7 CSCSCOC(=O)C 62a_100000076356_100011218213 [0,0,0,0,0,0|3,0,0]=3 849 B8R0.7 CSCSCOC(=O)C 62a_100011218213_100000076356 [0,0,0,0,0,0|3,0,0]=3 850 B8R0.7 C[C@@H](Cl)COCCCF 34a_100016084084_100011934791 [0,0,0,0,0,0|3,0,1]=4 851 B8R0.7 C[C@@H](Cl)COCCCO 34a_100016084084_100000230001 [0,0,0,0,0,0|3,0,1]=4 852 B8R0.7 C[C@@H](N)CCOCCF 34a_100000706166_100011217306 [0,0,0,0,0,0|3,0,1]=4 853 B8R0.7 C[C@@H](N)CCOCCO 34a_100000706166_100000211926 [0,0,0,0,0,0|3,0,1]=4 854 B8R0.7 C[C@@H](N)COCCCF 34a_100000737577_100011934791 [0,0,0,0,0,0|3,0,1]=4 855 B8R0.7 C[C@@H](N)COCCCO 34a_100000737577_100000230001 [0,0,0,0,0,0|3,0,1]=4 856 B8R0.7 C[C@@H](O)CNCCCF 2230a_100015189416_100009817552 [0,0,0,0,0,0|2,0,2]=4 857 B8R0.7 C[C@@H](O)CNCCCF 34a_100015189416_100009817552 [0,0,0,0,0,0|2,0,2]=4 858 B8R0.7 C[C@@H](O)COCCCBr 34a_100011217188_100009817552 [0,0,0,0,0,0|2,0,2]=4 859 B8R0.7 C[C@@H](O)COCCCCl 34a_100000230001_100009817552 [0,0,0,0,0,0|2,0,2]=4 860 B8R0.7 C[C@@H](O)COCCCF 34a_100000759539_100009817552 [0,0,0,0,0,0|2,0,2]=4 861 B8R0.7 C[C@@H](O)COCCCN 34a_100000182051_100009817552 [0,0,0,0,0,0|2,0,2]=4 862 B8R0.7 C[C@@H](O)CSCCCF 62a_100009817552_100011934791 [0,0,0,0,0,0|2,0,2]=4 863 B8R0.7 C[C@@H](O)CSCCCF 62a_100011934791_100009817552 [0,0,0,0,0,0|2,0,2]=4 864 B8R0.7 C[C@@H](O)CSCCCO 62a_100009817552_100011215043 [0,0,0,0,0,0|2,0,2]=4 865 B8R0.7 C[C@@H](O)CSCCCO 62a_100011215043_100009817552 [0,0,0,0,0,0|2,0,2]=4 866 B8R0.7 N#CCCNCC(=O)N 2230a_100000711301_100011215226 [0,0,0,0,0,0|3,0,1]=4 867 B8R0.7 N#CCCNCC(=O)O 269956a_100016091260_100011215226 [0,0,0,0,0,0|3,0,1]=4 868 B8R0.7 N#CCCSCC(=O)N 62a_100000747473_100011215226 [0,0,0,0,0,0|3,0,1]=4 869 B8R0.7 N#CCCSCC(=O)N 62a_100011215226_100000747473 [0,0,0,0,0,0|3,0,1]=4 870 B8R0.7 N#CCCSCC(=O)[O-] 62a_100011215226_100020667443 [0,0,0,0,0,0|3,0,1]=4 871 B8R0.7 N#CCCSCC(=O)[O-] 62a_100020667443_100011215226 [0,0,0,0,0,0|3,0,1]=4 872 B8R0.7 N#CCOCCC(=O)N 7a_100000757172_100011215382 [0,0,0,0,0,0|3,0,1]=4 873 B8R0.7 N#CCSCCC(=O)N 62a_100000744528_100011215382 [0,0,0,0,0,0|3,0,1]=4 874 B8R0.7 N#CCSCCC(=O)N 62a_100011215382_100000744528 [0,0,0,0,0,0|3,0,1]=4 875 B8R0.7 NC(=O)CCCNCF 34a_100000739312_100015361967 [0,0,0,0,0,0|3,0,0]=3 876 B8R0.7 NC(=O)CCCSCF 62a_100015361967_100102525003 [0,0,0,0,0,0|3,0,0]=3 877 B8R0.7 NC(=O)CCCSCF 62a_100102525003_100015361967 [0,0,0,0,0,0|3,0,0]=3 878 B8R0.7 NC(=O)CCNCCF 34a_100000724931_100000731001 [0,0,0,0,0,0|3,0,0]=3 879 B8R0.7 NC(=O)CCNCCO 2230a_100016997473_100000744528 [0,0,0,0,0,0|3,0,0]=3 880 B8R0.7 NC(=O)CCNCCO 34a_100016990907_100000731001 [0,0,0,0,0,0|3,0,0]=3 881 B8R0.7 NC(=O)CCOCC=O 34a_100000757172_200009817547 [0,0,0,0,0,0|3,0,1]=4 882 B8R0.7 NC(=O)CCOCC=O 7a_100000757172_200015260668 [0,0,0,0,0,0|3,0,1]=4 883 B8R0.7 NC(=O)CCOCCBr 34a_100000211926_100000731001 [0,0,0,0,0,0|3,0,0]=3 884 B8R0.7 NC(=O)CCOCCF 34a_100000757172_100011217306 [0,0,0,0,0,0|3,0,0]=3 885 B8R0.7 NC(=O)CCOCCF 7a_100000757172_100011217306 [0,0,0,0,0,0|3,0,0]=3 886 B8R0.7 NC(=O)CCOCCO 34a_100000757172_100000211926 [0,0,0,0,0,0|3,0,0]=3 887 B8R0.7 NC(=O)CCOCCO 7a_100000757172_100000211926 [0,0,0,0,0,0|3,0,0]=3 888 B8R0.7 NC(=O)CCSCC=O 62a_100000744528_200015260668 [0,0,0,0,0,0|3,0,1]=4 889 B8R0.7 NC(=O)CCSCC=O 62a_200015260668_100000744528 [0,0,0,0,0,0|3,0,1]=4 890 B8R0.7 NC(=O)CCSCCF 62a_100000744528_100011217306 [0,0,0,0,0,0|3,0,0]=3 891 B8R0.7 NC(=O)CCSCCF 62a_100011217306_100000744528 [0,0,0,0,0,0|3,0,0]=3 892 B8R0.7 NC(=O)CCSCCO 62a_100000211926_100000744528 [0,0,0,0,0,0|3,0,0]=3 893 B8R0.7 NC(=O)CCSCCO 62a_100000744528_100000211926 [0,0,0,0,0,0|3,0,0]=3 894 B8R0.7 NC(=O)CNCCCF 2230a_100000711301_100011934791 [0,0,0,0,0,0|3,0,0]=3 895 B8R0.7 NC(=O)CNCCCF 2230a_100015189416_100000747473 [0,0,0,0,0,0|3,0,0]=3 896 B8R0.7 NC(=O)CNCCCF 34a_100015189416_100000187820 [0,0,0,0,0,0|3,0,0]=3 897 B8R0.7 NC(=O)CNCCCO 2230a_100000711301_100000230001 [0,0,0,0,0,0|3,0,0]=3 898 B8R0.7 NC(=O)COCCCBr 34a_100011217188_100000187820 [0,0,0,0,0,0|3,0,0]=3 899 B8R0.7 NC(=O)COCCCCl 34a_100000230001_100000187820 [0,0,0,0,0,0|3,0,0]=3 900 B8R0.7 NC(=O)COCCCF 34a_100000759539_100000187820 [0,0,0,0,0,0|3,0,0]=3 901 B8R0.7 NC(=O)CSCCCF 62a_100000747473_100011934791 [0,0,0,0,0,0|3,0,0]=3 902 B8R0.7 NC(=O)CSCCCF 62a_100011934791_100000747473 [0,0,0,0,0,0|3,0,0]=3 903 B8R0.7 NC(=O)CSCCCO 62a_100000747473_100011215043 [0,0,0,0,0,0|3,0,0]=3 904 B8R0.7 NC(=O)CSCCCO 62a_100011215043_100000747473 [0,0,0,0,0,0|3,0,0]=3 905 B8R0.7 NC(=O)NCCNCF 34a_100020590234_100015361967 [0,0,0,0,0,0|4,0,0]=4 906 B8R0.7 NC(=O)NCCOCF 34a_100000181757_100015361967 [0,0,0,0,0,0|4,0,0]=4 907 B8R0.7 NC(=O)NCCSCF 62a_100015361967_200000034859 [0,0,0,0,0,0|4,0,0]=4 908 B8R0.7 NC(=O)NCCSCF 62a_200000034859_100015361967 [0,0,0,0,0,0|4,0,0]=4 909 B8R0.7 NC(=O)OCCOCF 7a_100000766696_100015361967 [0,0,0,0,0,0|4,0,0]=4 910 B8R0.7 NC(=O)OCCSCF 62a_100015361967_200011214921 [0,0,0,0,0,0|4,0,0]=4 911 B8R0.7 NC(=O)OCCSCF 62a_200011214921_100015361967 [0,0,0,0,0,0|4,0,0]=4 912 B8R0.7 NCCCOCC(=O)N 34a_100000182051_100000187820 [0,0,0,0,0,0|3,0,0]=3 913 B8R0.7 NCCCOCC(=O)[O-] 34a_100000182051_100020667443 [0,0,0,0,0,0|3,0,0]=3 914 B8R0.7 NCCCOC[N+](=O)[O-] 34a_100000182051_100000761209 [0,0,0,0,0,0|4,0,0]=4 915 B8R0.7 NCCOCCC(=O)N 34a_100000210304_100000731001 [0,0,0,0,0,0|3,0,0]=3 916 B8R0.7 NOCCOCC(=O)N 34a_100000700252_100000187820 [0,0,0,0,0,0|4,0,0]=4 917 B8R0.7 NOCCOCC(=O)[O-] 34a_100000700252_100020667443 [0,0,0,0,0,0|4,0,0]=4 918 B8R0.7 O=C(O)CNCCCF 269956a_100016091260_100011934791 [0,0,0,0,0,0|3,0,0]=3 919 B8R0.7 O=C(O)CNCCCO 269956a_100016091260_100011215043 [0,0,0,0,0,0|3,0,0]=3 920 B8R0.7 O=C(O)CONCCF 269956a_100000106656_100011217306 [0,0,0,0,0,0|4,0,0]=4 921 B8R0.7 O=C(O)CONCCO 269956a_100000106656_100000211926 [0,0,0,0,0,0|4,0,0]=4 922 B8R0.7 O=C([O-])CNCCCF 34a_100015189416_100020667443 [0,0,0,0,0,0|3,0,0]=3 923 B8R0.7 O=C([O-])COCCCBr 34a_100011217188_100020667443 [0,0,0,0,0,0|3,0,0]=3 924 B8R0.7 O=C([O-])COCCCCl 34a_100000230001_100020667443 [0,0,0,0,0,0|3,0,0]=3 925 B8R0.7 O=C([O-])COCCCF 34a_100000759539_100020667443 [0,0,0,0,0,0|3,0,0]=3 926 B8R0.7 O=C([O-])CSCCCF 62a_100011934791_100020667443 [0,0,0,0,0,0|3,0,0]=3 927 B8R0.7 O=C([O-])CSCCCF 62a_100020667443_100011934791 [0,0,0,0,0,0|3,0,0]=3 928 B8R0.7 O=C([O-])CSCCCO 62a_100011215043_100020667443 [0,0,0,0,0,0|3,0,0]=3 929 B8R0.7 O=C([O-])CSCCCO 62a_100020667443_100011215043 [0,0,0,0,0,0|3,0,0]=3 930 B8R0.7 O=[N+]([O-])CCCOCF 34a_200000037920_100015361967 [0,0,0,0,0,0|4,0,0]=4 931 B8R0.7 O=[N+]([O-])CNCCCF 34a_100015189416_100000761209 [0,0,0,0,0,0|4,0,0]=4 932 B8R0.7 O=[N+]([O-])COCCCBr 34a_100011217188_100000761209 [0,0,0,0,0,0|4,0,0]=4 933 B8R0.7 O=[N+]([O-])COCCCCl 34a_100000230001_100000761209 [0,0,0,0,0,0|4,0,0]=4 934 B8R0.7 O=[N+]([O-])COCCCF 34a_100000759539_100000761209 [0,0,0,0,0,0|4,0,0]=4 935 B8R0.7 O=[N+]([O-])CSCCCF 62a_100011934791_100000761209 [0,0,0,0,0,0|4,0,0]=4 936 B8R0.7 O=[N+]([O-])CSCCCO 62a_100011215043_100000761209 [0,0,0,0,0,0|4,0,0]=4 937 B8R0.7 [13CH3]C(=O)CCCCCO 1458a_100102619762_200025704644 [0,0,0,0,0,0|1,0,0]=1 938 B8R0.7 [13CH3]C(=O)CCCN=[N+]=[N-] 1458a_100010262590_200025704644 [0,0,0,0,0,0|3,0,0]=3 939 B8R0.7 [13CH3]C(=O)CCOCCO 1458a_100011229844_200025704644 [0,0,0,0,0,0|2,0,0]=2 940 B8R0.7 [13CH3]NCCCCC(=O)N 34a_100000696515_200025704644 [0,0,0,0,0,0|2,0,0]=2 941 B8R0.7 [13CH3]NCCOCC(=O)O 269956a_100000700818_200025704644 [0,0,0,0,0,0|3,0,0]=3 942 B8R0.7 [13CH3]OCCCCC(=O)N 34a_100012022536_200025704644 [0,0,0,0,0,0|2,0,0]=2 943 B8R0.7 [13CH3]OCCCCC(=O)N 7a_100012022536_200025704644 [0,0,0,0,0,0|2,0,0]=2 944 B8R0.7 [13CH3]OCCCC[N+](=O)[O-] 34a_200015379883_200025704644 [0,0,0,0,0,0|3,0,0]=3 945 B8R0.7 [13CH3]OCCCC[N+](=O)[O-] 7a_200015379883_200025704644 [0,0,0,0,0,0|3,0,0]=3 946 B8R0.7 [13CH3]SCCCCB(O)O 62a_200009817182_200025704644 [0,0,0,0,0,0|3,0,1]=4 947 B8R0.7 [13CH3]SCCCCB(O)O 62a_200025704644_200009817182 [0,0,0,0,0,0|3,0,1]=4 948 B8R0.7 [13CH3]SCCOCC(=O)N 62a_100000076697_200025704644 [0,0,0,0,0,0|3,0,0]=3 949 B8R0.7 [13CH3]SCCOCC(=O)N 62a_200025704644_100000076697 [0,0,0,0,0,0|3,0,0]=3 950 B7R0.1 C#CCCCCNC 2230a_100000706060_200000210301 [1,0,0,0,0,0|1,0,2]=4 951 B7R0.1 C#CCCCCNC 2230a_106832991635_100010269958 [1,0,0,0,0,0|1,0,2]=4 952 B7R0.1 C#CCCCCNC 34a_100000706060_200000210301 [1,0,0,0,0,0|1,0,2]=4 953 B7R0.1 C#CCCCCNC 34a_100102657272_100010269958 [1,0,0,0,0,0|1,0,2]=4 954 B7R0.1 C#CCCCCNC 7a_106832991635_100010269958 [1,0,0,0,0,0|1,0,2]=4 955 B7R0.1 C#CCCCCN[13CH3] 2230a_100000706060_200025704644 [1,0,0,0,0,0|1,0,2]=4 956 B7R0.1 C#CCCCCN[13CH3] 34a_100000706060_200025704644 [1,0,0,0,0,0|1,0,2]=4 957 B7R0.1 C#CCCCCOC 34a_100000766709_200000210301 [1,0,0,0,0,0|1,0,2]=4 958 B7R0.1 C#CCCCCOC 34a_100138415774_100010269958 [1,0,0,0,0,0|1,0,2]=4 959 B7R0.1 C#CCCCCOC 7a_100000766709_200000210301 [1,0,0,0,0,0|1,0,2]=4 960 B7R0.1 C#CCCCCO[13CH3] 34a_100000766709_200025704644 [1,0,0,0,0,0|1,0,2]=4 961 B7R0.1 C#CCCCCO[13CH3] 7a_100000766709_200025704644 [1,0,0,0,0,0|1,0,2]=4 962 B7R0.1 C#CCCCCSC 62a_100010269958_200000210301 [1,0,0,0,0,0|1,0,2]=4 963 B7R0.1 C#CCCCCSC 62a_200000210301_100010269958 [1,0,0,0,0,0|1,0,2]=4 964 B7R0.1 C#CCCCCS[13CH3] 62a_100010269958_200025704644 [1,0,0,0,0,0|1,0,2]=4 965 B7R0.1 C#CCCCCS[13CH3] 62a_200025704644_100010269958 [1,0,0,0,0,0|1,0,2]=4 966 B7R0.1 C#CCCCNCC 2230a_100015525214_100000731252 [1,0,0,0,0,0|1,0,2]=4 967 B7R0.1 C#CCCCNCC 34a_100000718082_100000210202 [1,0,0,0,0,0|1,0,2]=4 968 B7R0.1 C#CCCCOCC 34a_100000215630_100000210202 [1,0,0,0,0,0|1,0,2]=4 969 B7R0.1 C#CCCCOCC 34a_100121572206_100000695029 [1,0,0,0,0,0|1,0,2]=4 970 B7R0.1 C#CCCCOCC 7a_100000215630_100000210202 [1,0,0,0,0,0|1,0,2]=4 971 B7R0.1 C#CCCCSCC 62a_100000210202_100011215417 [1,0,0,0,0,0|1,0,2]=4 972 B7R0.1 C#CCCCSCC 62a_100011215417_100000210202 [1,0,0,0,0,0|1,0,2]=4 973 B7R0.1 C#CCCNCC=O 34a_100000755551_200009817547 [1,0,0,0,0,0|1,0,2]=4 974 B7R0.1 C#CCCNCCC 34a_100000755551_100000210303 [1,0,0,0,0,0|1,0,2]=4 975 B7R0.1 C#CCCOCC=O 34a_100011215631_200009817547 [1,0,0,0,0,0|1,0,2]=4 976 B7R0.1 C#CCCOCCC 34a_100000210258_100000688953 [1,0,0,0,0,0|1,0,2]=4 977 B7R0.1 C#CCCOCCC 34a_100011215631_100000210303 [1,0,0,0,0,0|1,0,2]=4 978 B7R0.1 C#CCCSCC=O 62a_100000688953_200015260668 [1,0,0,0,0,0|1,0,2]=4 979 B7R0.1 C#CCCSCC=O 62a_200015260668_100000688953 [1,0,0,0,0,0|1,0,2]=4 980 B7R0.1 C#CCCSCCC 62a_100000210303_100000688953 [1,0,0,0,0,0|1,0,2]=4 981 B7R0.1 C#CCCSCCC 62a_100000688953_100000210303 [1,0,0,0,0,0|1,0,2]=4 982 B7R0.1 C#CCNCCCC 2230a_100000102301_100000038162 [1,0,0,0,0,0|1,0,2]=4 983 B7R0.1 C#CCNCCCC 34a_100000212058_100000210210 [1,0,0,0,0,0|1,0,2]=4 984 B7R0.1 C#CCNCCCC 7a_106832991798_100000038162 [1,0,0,0,0,0|1,0,2]=4 985 B7R0.1 C#CCOCCCC 34a_100000210227_100000184674 [1,0,0,0,0,0|1,0,2]=4 986 B7R0.1 C#CCOCCCC 34a_100000210247_100000210210 [1,0,0,0,0,0|1,0,2]=4 987 B7R0.1 C#CCOCCCC 7a_100000210227_100000038162 [1,0,0,0,0,0|1,0,2]=4 988 B7R0.1 C#CCSCCCC 62a_100000038162_100000210210 [1,0,0,0,0,0|1,0,2]=4 989 B7R0.1 C/C=C/CCOCC 34a_100016278192_100000210202 [1,0,0,0,0,0|1,0,1]=3 990 B7R0.1 C/C=C/CCOCF 34a_100016278192_100015361967 [1,0,0,0,0,0|2,0,1]=4 991 B7R0.1 C/C=C/CNCCF 34a_100000724931_100102629194 [1,0,0,0,0,0|2,0,1]=4 992 B7R0.1 C/C=C/CNCCO 34a_100016990907_100102629194 [1,0,0,0,0,0|2,0,1]=4 993 B7R0.1 C/C=C/COCC=O 34a_100016270725_200009817547 [1,0,0,0,0,0|1,0,2]=4 994 B7R0.1 C/C=C/COCCBr 34a_100000211926_100102629194 [1,0,0,0,0,0|2,0,1]=4 995 B7R0.1 C/C=C/COCCC 34a_100000210258_100102629194 [1,0,0,0,0,0|1,0,1]=3 996 B7R0.1 C/C=C/COCCC 34a_100016270725_100000210303 [1,0,0,0,0,0|1,0,1]=3 997 B7R0.1 C/C=C/COCCF 34a_100016270725_100011217306 [1,0,0,0,0,0|2,0,1]=4 998 B7R0.1 C/C=C/COCCN 34a_100000210304_100102629194 [1,0,0,0,0,0|2,0,1]=4 999 B7R0.1 C/C=C/COCCO 34a_100016270725_100000211926 [1,0,0,0,0,0|2,0,1]=4 1000 B7R0.1 C/C=C/COCSC 34a_100016270725_100011218213 [1,0,0,0,0,0|2,0,1]=4 1001 B7R0.1 C/C=C/CSCC=O 62a_100102629194_200015260668 [1,0,0,0,0,0|1,0,2]=4 1002 B7R0.1 C/C=C/CSCC=O 62a_200015260668_100102629194 [1,0,0,0,0,0|1,0,2]=4 1003 B7R0.1 C/C=C/CSCCC 62a_100000210303_100102629194 [1,0,0,0,0,0|1,0,1]=3 1004 B7R0.1 C/C=C/CSCCC 62a_100102629194_100000210303 [1,0,0,0,0,0|1,0,1]=3 1005 B7R0.1 C/C=C/CSCCF 62a_100011217306_100102629194 [1,0,0,0,0,0|2,0,1]=4 1006 B7R0.1 C/C=C/CSCCF 62a_100102629194_100011217306 [1,0,0,0,0,0|2,0,1]=4 1007 B7R0.1 C/C=C/CSCCO 62a_100000211926_100102629194 [1,0,0,0,0,0|2,0,1]=4 1008 B7R0.1 C/C=C/CSCCO 62a_100102629194_100000211926 [1,0,0,0,0,0|2,0,1]=4 1009 B7R0.1 C/C=C/CSCOC 62a_100000766300_100102629194 [1,0,0,0,0,0|2,0,1]=4 1010 B7R0.1 C/C=C/CSCOC 62a_100102629194_100000766300 [1,0,0,0,0,0|2,0,1]=4 1011 B7R0.1 C/C=C/CSCSC 62a_100011218213_100102629194 [1,0,0,0,0,0|2,0,1]=4 1012 B7R0.1 C/C=C/CSCSC 62a_100102629194_100011218213 [1,0,0,0,0,0|2,0,1]=4 1013 B7R0.1 C=CCCCCNC 2230a_100000703577_200000210301 [1,0,0,0,0,0|1,0,1]=3 1014 B7R0.1 C=CCCCCNC 2230a_106832991635_100011215482 [1,0,0,0,0,0|1,0,1]=3 1015 B7R0.1 C=CCCCCNC 34a_100000703577_200000210301 [1,0,0,0,0,0|1,0,1]=3 1016 B7R0.1 C=CCCCCNC 34a_100102657272_100011215482 [1,0,0,0,0,0|1,0,1]=3 1017 B7R0.1 C=CCCCCNC 7a_106832991635_100011215482 [1,0,0,0,0,0|1,0,1]=3 1018 B7R0.1 C=CCCCCN[13CH3] 2230a_100000703577_200025704644 [1,0,0,0,0,0|1,0,1]=3 1019 B7R0.1 C=CCCCCN[13CH3] 34a_100000703577_200025704644 [1,0,0,0,0,0|1,0,1]=3 1020 B7R0.1 C=CCCCCOC 34a_100000766645_200000210301 [1,0,0,0,0,0|1,0,1]=3 1021 B7R0.1 C=CCCCCOC 34a_100138415774_100011215482 [1,0,0,0,0,0|1,0,1]=3 1022 B7R0.1 C=CCCCCOC 7a_100000766645_200000210301 [1,0,0,0,0,0|1,0,1]=3 1023 B7R0.1 C=CCCCCO[13CH3] 34a_100000766645_200025704644 [1,0,0,0,0,0|1,0,1]=3 1024 B7R0.1 C=CCCCCO[13CH3] 7a_100000766645_200025704644 [1,0,0,0,0,0|1,0,1]=3 1025 B7R0.1 C=CCCCCSC 62a_100011215482_200000210301 [1,0,0,0,0,0|1,0,1]=3 1026 B7R0.1 C=CCCCCSC 62a_200000210301_100011215482 [1,0,0,0,0,0|1,0,1]=3 1027 B7R0.1 C=CCCCCS[13CH3] 62a_100011215482_200025704644 [1,0,0,0,0,0|1,0,1]=3 1028 B7R0.1 C=CCCCCS[13CH3] 62a_200025704644_100011215482 [1,0,0,0,0,0|1,0,1]=3 1029 B7R0.1 C=CCCCNCC 2230a_100000700776_100000210202 [1,0,0,0,0,0|1,0,1]=3 1030 B7R0.1 C=CCCCNCC 2230a_100015525214_100011713584 [1,0,0,0,0,0|1,0,1]=3 1031 B7R0.1 C=CCCCNCC 34a_100000700776_100000210202 [1,0,0,0,0,0|1,0,1]=3 1032 B7R0.1 C=CCCCNCF 34a_100000700776_100015361967 [1,0,0,0,0,0|2,0,1]=4 1033 B7R0.1 C=CCCCOCC 34a_100000758997_100000210202 [1,0,0,0,0,0|1,0,1]=3 1034 B7R0.1 C=CCCCOCC 34a_100121572206_100000757094 [1,0,0,0,0,0|1,0,1]=3 1035 B7R0.1 C=CCCCOCC 7a_100000758997_100000210202 [1,0,0,0,0,0|1,0,1]=3 1036 B7R0.1 C=CCCCOCF 34a_100000758997_100015361967 [1,0,0,0,0,0|2,0,1]=4 1037 B7R0.1 C=CCCCOCF 7a_100000758997_100015361967 [1,0,0,0,0,0|2,0,1]=4 1038 B7R0.1 C=CCCCSCC 62a_100000210202_100000757094 [1,0,0,0,0,0|1,0,1]=3 1039 B7R0.1 C=CCCCSCC 62a_100011713584_100000210202 [1,0,0,0,0,0|1,0,1]=3 1040 B7R0.1 C=CCCCSCF 62a_100011713584_100015361967 [1,0,0,0,0,0|2,0,1]=4 1041 B7R0.1 C=CCCCSCF 62a_100015361967_100000757094 [1,0,0,0,0,0|2,0,1]=4 1042 B7R0.1 C=CCCNCC=O 2230a_100015191253_200015260668 [1,0,0,0,0,0|1,0,2]=4 1043 B7R0.1 C=CCCNCCC 2230a_100015191253_100000210303 [1,0,0,0,0,0|1,0,1]=3 1044 B7R0.1 C=CCCNCCF 2230a_100015191253_100011217306 [1,0,0,0,0,0|2,0,1]=4 1045 B7R0.1 C=CCCNCCF 34a_100000724931_100000754431 [1,0,0,0,0,0|2,0,1]=4 1046 B7R0.1 C=CCCNCCO 2230a_100015191253_100000211926 [1,0,0,0,0,0|2,0,1]=4 1047 B7R0.1 C=CCCNCCO 2230a_100016997473_100000754431 [1,0,0,0,0,0|2,0,1]=4 1048 B7R0.1 C=CCCNCCO 34a_100016990907_100000754431 [1,0,0,0,0,0|2,0,1]=4 1049 B7R0.1 C=CCCNCOC 2230a_100015191253_100000766300 [1,0,0,0,0,0|2,0,1]=4 1050 B7R0.1 C=CCCNCSC 2230a_100015191253_100011218213 [1,0,0,0,0,0|2,0,1]=4 1051 B7R0.1 C=CCCOCC=O 34a_100011205117_200009817547 [1,0,0,0,0,0|1,0,2]=4 1052 B7R0.1 C=CCCOCCBr 34a_100000211926_100000754431 [1,0,0,0,0,0|2,0,1]=4 1053 B7R0.1 C=CCCOCCC 34a_100000210258_100000754431 [1,0,0,0,0,0|1,0,1]=3 1054 B7R0.1 C=CCCOCCC 34a_100011205117_100000210303 [1,0,0,0,0,0|1,0,1]=3 1055 B7R0.1 C=CCCOCCF 34a_100011205117_100011217306 [1,0,0,0,0,0|2,0,1]=4 1056 B7R0.1 C=CCCOCCN 34a_100000210304_100000754431 [1,0,0,0,0,0|2,0,1]=4 1057 B7R0.1 C=CCCOCCO 34a_100011205117_100000211926 [1,0,0,0,0,0|2,0,1]=4 1058 B7R0.1 C=CCCOCSC 34a_100011205117_100011218213 [1,0,0,0,0,0|2,0,1]=4 1059 B7R0.1 C=CCCSCC=O 62a_100000754431_200015260668 [1,0,0,0,0,0|1,0,2]=4 1060 B7R0.1 C=CCCSCC=O 62a_200015260668_100000754431 [1,0,0,0,0,0|1,0,2]=4 1061 B7R0.1 C=CCCSCCC 62a_100000210303_100000754431 [1,0,0,0,0,0|1,0,1]=3 1062 B7R0.1 C=CCCSCCC 62a_100000754431_100000210303 [1,0,0,0,0,0|1,0,1]=3 1063 B7R0.1 C=CCCSCCF 62a_100000754431_100011217306 [1,0,0,0,0,0|2,0,1]=4 1064 B7R0.1 C=CCCSCCF 62a_100011217306_100000754431 [1,0,0,0,0,0|2,0,1]=4 1065 B7R0.1 C=CCCSCCO 62a_100000211926_100000754431 [1,0,0,0,0,0|2,0,1]=4 1066 B7R0.1 C=CCCSCCO 62a_100000754431_100000211926 [1,0,0,0,0,0|2,0,1]=4 1067 B7R0.1 C=CCCSCOC 62a_100000754431_100000766300 [1,0,0,0,0,0|2,0,1]=4 1068 B7R0.1 C=CCCSCOC 62a_100000766300_100000754431 [1,0,0,0,0,0|2,0,1]=4 1069 B7R0.1 C=CCCSCSC 62a_100000754431_100011218213 [1,0,0,0,0,0|2,0,1]=4 1070 B7R0.1 C=CCCSCSC 62a_100011218213_100000754431 [1,0,0,0,0,0|2,0,1]=4 1071 B7R0.1 C=CCNCCCC 2230a_100000102301_100000210623 [1,0,0,0,0,0|1,0,1]=3 1072 B7R0.1 C=CCNCCCC 2230a_100020586998_100000210211 [1,0,0,0,0,0|1,0,1]=3 1073 B7R0.1 C=CCNCCCC 7a_106832991798_100015514636 [1,0,0,0,0,0|1,0,1]=3 1074 B7R0.1 C=CCNCCCF 2230a_100015189416_100000210623 [1,0,0,0,0,0|2,0,1]=4 1075 B7R0.1 C=CCNCCCF 2230a_100020586998_100011934791 [1,0,0,0,0,0|2,0,1]=4 1076 B7R0.1 C=CCNCCCF 34a_100015189416_100015514636 [1,0,0,0,0,0|2,0,1]=4 1077 B7R0.1 C=CCNCCCO 2230a_100020586998_100000230001 [1,0,0,0,0,0|2,0,1]=4 1078 B7R0.1 C=CCNCCOC 2230a_100000209980_100000210623 [1,0,0,0,0,0|2,0,1]=4 1079 B7R0.1 C=CCNCCOC 2230a_100020586998_100011201679 [1,0,0,0,0,0|2,0,1]=4 1080 B7R0.1 C=CCNCCSC 2230a_100020586998_100000751147 [1,0,0,0,0,0|2,0,1]=4 1081 B7R0.1 C=CCNCCSC 2230a_100020590264_100000210623 [1,0,0,0,0,0|2,0,1]=4 1082 B7R0.1 C=CCOCCCBr 34a_100011217188_100015514636 [1,0,0,0,0,0|2,0,1]=4 1083 B7R0.1 C=CCOCCCC 34a_100000210227_100015514636 [1,0,0,0,0,0|1,0,1]=3 1084 B7R0.1 C=CCOCCCC 34a_200000210373_100000210210 [1,0,0,0,0,0|1,0,1]=3 1085 B7R0.1 C=CCOCCCC 7a_100000210227_100015514636 [1,0,0,0,0,0|1,0,1]=3 1086 B7R0.1 C=CCOCCCCl 34a_100000230001_100015514636 [1,0,0,0,0,0|2,0,1]=4 1087 B7R0.1 C=CCOCCCF 34a_100000759539_100015514636 [1,0,0,0,0,0|2,0,1]=4 1088 B7R0.1 C=CCOCCCF 34a_200000210373_100011934791 [1,0,0,0,0,0|2,0,1]=4 1089 B7R0.1 C=CCOCCCN 34a_100000182051_100015514636 [1,0,0,0,0,0|2,0,1]=4 1090 B7R0.1 C=CCOCCCO 34a_200000210373_100000230001 [1,0,0,0,0,0|2,0,1]=4 1091 B7R0.1 C=CCOCCOC 34a_100000037705_200000210301 [1,0,0,0,0,0|2,0,1]=4 1092 B7R0.1 C=CCOCCOC 34a_100000210237_100015514636 [1,0,0,0,0,0|2,0,1]=4 1093 B7R0.1 C=CCOCCOC 34a_200000210373_100011201679 [1,0,0,0,0,0|2,0,1]=4 1094 B7R0.1 C=CCOCCOC 7a_100000037705_200000210301 [1,0,0,0,0,0|2,0,1]=4 1095 B7R0.1 C=CCOCCO[13CH3] 34a_100000037705_200025704644 [1,0,0,0,0,0|2,0,1]=4 1096 B7R0.1 C=CCOCCO[13CH3] 7a_100000037705_200025704644 [1,0,0,0,0,0|2,0,1]=4 1097 B7R0.1 C=CCOCCSC 34a_100000230434_100015514636 [1,0,0,0,0,0|2,0,1]=4 1098 B7R0.1 C=CCOCCSC 34a_200000210373_100000212216 [1,0,0,0,0,0|2,0,1]=4 1099 B7R0.1 C=CCOCCSC 7a_100000230434_100015514636 [1,0,0,0,0,0|2,0,1]=4 1100 B7R0.1 C=CCSCCCC 62a_100000210211_100000210623 [1,0,0,0,0,0|1,0,1]=3 1101 B7R0.1 C=CCSCCCC 62a_100000210623_100000210210 [1,0,0,0,0,0|1,0,1]=3 1102 B7R0.1 C=CCSCCCF 62a_100000210623_100011934791 [1,0,0,0,0,0|2,0,1]=4 1103 B7R0.1 C=CCSCCCF 62a_100011934791_100000210623 [1,0,0,0,0,0|2,0,1]=4 1104 B7R0.1 C=CCSCCCO 62a_100000210623_100011215043 [1,0,0,0,0,0|2,0,1]=4 1105 B7R0.1 C=CCSCCCO 62a_100011215043_100000210623 [1,0,0,0,0,0|2,0,1]=4 1106 B7R0.1 C=CCSCCOC 62a_100000210623_100000233755 [1,0,0,0,0,0|2,0,1]=4 1107 B7R0.1 C=CCSCCOC 62a_100000233755_100000210623 [1,0,0,0,0,0|2,0,1]=4 1108 B7R0.1 C=CCSCCSC 62a_100000210623_100000751147 [1,0,0,0,0,0|2,0,1]=4 1109 B7R0.1 C=CCSCCSC 62a_100000212216_100000210623 [1,0,0,0,0,0|2,0,1]=4 1110 B7R0.1 C=CCSCOCC 62a_100000210623_100000739092 [1,0,0,0,0,0|2,0,1]=4 1111 B7R0.1 C=CCSCOCC 62a_100000739092_100000210623 [1,0,0,0,0,0|2,0,1]=4 1112 B7R0.1 C=COCCCNC 2230a_100000210767_200000210301 [1,0,0,0,0,0|2,0,1]=4 1113 B7R0.1 C=COCCCNC 34a_100000210767_200000210301 [1,0,0,0,0,0|2,0,1]=4 1114 B7R0.1 C=COCCCN[13CH3] 2230a_100000210767_200025704644 [1,0,0,0,0,0|2,0,1]=4 1115 B7R0.1 C=COCCCN[13CH3] 34a_100000210767_200025704644 [1,0,0,0,0,0|2,0,1]=4 1116 B7R0.1 C=COCCNCC 2230a_100015525214_100000039644 [1,0,0,0,0,0|2,0,1]=4 1117 B7R0.1 C=COCCOCC 34a_100000033082_100000210202 [1,0,0,0,0,0|2,0,1]=4 1118 B7R0.1 C=COCCOCC 34a_100121572206_100000039644 [1,0,0,0,0,0|2,0,1]=4 1119 B7R0.1 C=COCCSCC 62a_100000039644_100000210202 [1,0,0,0,0,0|2,0,1]=4 1120 B7R0.1 C=COCCSCC 62a_100000210202_100000039644 [1,0,0,0,0,0|2,0,1]=4 1121 B7R0.1 CC#CCCOCC 34a_100000750427_100000210202 [1,0,0,0,0,0|1,0,2]=4 1122 B7R0.1 CC#CCNCC=O 2230a_100000685387_200015260668 [1,0,0,0,0,0|1,0,2]=4 1123 B7R0.1 CC#CCNCC=O 34a_100000685387_200009817547 [1,0,0,0,0,0|1,0,2]=4 1124 B7R0.1 CC#CCNCCC 2230a_100000685387_100000210303 [1,0,0,0,0,0|1,0,2]=4 1125 B7R0.1 CC#CCNCCC 34a_100000685387_100000210303 [1,0,0,0,0,0|1,0,2]=4 1126 B7R0.1 CC#CCOCC=O 34a_100000761923_200009817547 [1,0,0,0,0,0|1,0,2]=4 1127 B7R0.1 CC#CCOCCC 34a_100000210258_100000748600 [1,0,0,0,0,0|1,0,2]=4 1128 B7R0.1 CC#CCOCCC 34a_100000761923_100000210303 [1,0,0,0,0,0|1,0,2]=4 1129 B7R0.1 CC#CCSCC=O 62a_100000748600_200015260668 [1,0,0,0,0,0|1,0,2]=4 1130 B7R0.1 CC#CCSCC=O 62a_200015260668_100000748600 [1,0,0,0,0,0|1,0,2]=4 1131 B7R0.1 CC#CCSCCC 62a_100000210303_100000748600 [1,0,0,0,0,0|1,0,2]=4 1132 B7R0.1 CC#CCSCCC 62a_100000748600_100000210303 [1,0,0,0,0,0|1,0,2]=4 1133 B7R0.1 CC/C=C\CCNC 2230a_106832991635_100015370543 [1,0,0,0,0,0|1,0,2]=4 1134 B7R0.1 CC/C=C\CCNC 34a_100102657272_100015370543 [1,0,0,0,0,0|1,0,2]=4 1135 B7R0.1 CC/C=C\CCNC 7a_106832991635_100015370543 [1,0,0,0,0,0|1,0,2]=4 1136 B7R0.1 CC/C=C\CCOC 34a_100016288707_200000210301 [1,0,0,0,0,0|1,0,2]=4 1137 B7R0.1 CC/C=C\CCOC 34a_100138415774_100015370543 [1,0,0,0,0,0|1,0,2]=4 1138 B7R0.1 CC/C=C\CCOC 7a_100016288707_200000210301 [1,0,0,0,0,0|1,0,2]=4 1139 B7R0.1 CC/C=C\CCO[13CH3] 34a_100016288707_200025704644 [1,0,0,0,0,0|1,0,2]=4 1140 B7R0.1 CC/C=C\CCO[13CH3] 7a_100016288707_200025704644 [1,0,0,0,0,0|1,0,2]=4 1141 B7R0.1 CC/C=C\CCSC 62a_100015370543_200000210301 [1,0,0,0,0,0|1,0,2]=4 1142 B7R0.1 CC/C=C\CCSC 62a_200000210301_100015370543 [1,0,0,0,0,0|1,0,2]=4 1143 B7R0.1 CC/C=C\CCS[13CH3] 62a_100015370543_200025704644 [1,0,0,0,0,0|1,0,2]=4 1144 B7R0.1 CC/C=C\CCS[13CH3] 62a_200025704644_100015370543 [1,0,0,0,0,0|1,0,2]=4 1145 B7R0.1 CC=C=CCCOC 34a_100011020354_200000210301 [1,0,0,0,0,0|1,0,2]=4 1146 B7R0.1 CC=C=CCCO[13CH3] 34a_100011020354_200025704644 [1,0,0,0,0,0|1,0,2]=4 1147 B7R0.1 CC=CCCCOC 34a_100020645299_200000210301 [1,0,0,0,0,0|1,0,1]=3 1148 B7R0.1 CC=CCCCO[13CH3] 34a_100020645299_200025704644 [1,0,0,0,0,0|1,0,1]=3 1149 B7R0.1 CC=CCNCCF 34a_100000724931_100000070051 [1,0,0,0,0,0|2,0,1]=4 1150 B7R0.1 CC=CCNCCO 2230a_100016997473_100000070051 [1,0,0,0,0,0|2,0,1]=4 1151 B7R0.1 CC=CCNCCO 34a_100016990907_100000070051 [1,0,0,0,0,0|2,0,1]=4 1152 B7R0.1 CC=CCOCCBr 34a_100000211926_100000070051 [1,0,0,0,0,0|2,0,1]=4 1153 B7R0.1 CC=CCOCCC 34a_100000210258_100000070051 [1,0,0,0,0,0|1,0,1]=3 1154 B7R0.1 CC=CCOCCN 34a_100000210304_100000070051 [1,0,0,0,0,0|2,0,1]=4 1155 B7R0.1 CC=CCSCC=O 62a_100000070051_200015260668 [1,0,0,0,0,0|1,0,2]=4 1156 B7R0.1 CC=CCSCC=O 62a_200015260668_100000070051 [1,0,0,0,0,0|1,0,2]=4 1157 B7R0.1 CC=CCSCCC 62a_100000070051_100000210303 [1,0,0,0,0,0|1,0,1]=3 1158 B7R0.1 CC=CCSCCC 62a_100000210303_100000070051 [1,0,0,0,0,0|1,0,1]=3 1159 B7R0.1 CC=CCSCCF 62a_100000070051_100011217306 [1,0,0,0,0,0|2,0,1]=4 1160 B7R0.1 CC=CCSCCF 62a_100011217306_100000070051 [1,0,0,0,0,0|2,0,1]=4 1161 B7R0.1 CC=CCSCCO 62a_100000070051_100000211926 [1,0,0,0,0,0|2,0,1]=4 1162 B7R0.1 CC=CCSCCO 62a_100000211926_100000070051 [1,0,0,0,0,0|2,0,1]=4 1163 B7R0.1 CC=CCSCOC 62a_100000070051_100000766300 [1,0,0,0,0,0|2,0,1]=4 1164 B7R0.1 CC=CCSCOC 62a_100000766300_100000070051 [1,0,0,0,0,0|2,0,1]=4 1165 B7R0.1 CC=CCSCSC 62a_100000070051_100011218213 [1,0,0,0,0,0|2,0,1]=4 1166 B7R0.1 CC=CCSCSC 62a_100011218213_100000070051 [1,0,0,0,0,0|2,0,1]=4 1167 B7R0.1 CC=NNCCCC 4a_100025702795_200000210099 [1,0,0,0,0,0|2,0,0]=3 1168 B7R0.1 CCC#CCCOC 34a_100000036655_200000210301 [1,0,0,0,0,0|1,0,2]=4 1169 B7R0.1 CCC#CCCOC 7a_100000036655_200000210301 [1,0,0,0,0,0|1,0,2]=4 1170 B7R0.1 CCC#CCCO[13CH3] 34a_100000036655_200025704644 [1,0,0,0,0,0|1,0,2]=4 1171 B7R0.1 CCC#CCCO[13CH3] 7a_100000036655_200025704644 [1,0,0,0,0,0|1,0,2]=4 1172 B7R0.1 CCC/C=C/COC 34a_100016278788_200000210301 [1,0,0,0,0,0|1,0,2]=4 1173 B7R0.1 CCC/C=C/COC 7a_100016278788_200000210301 [1,0,0,0,0,0|1,0,2]=4 1174 B7R0.1 CCC/C=C/CO[13CH3] 34a_100016278788_200025704644 [1,0,0,0,0,0|1,0,2]=4 1175 B7R0.1 CCC/C=C/CO[13CH3] 7a_100016278788_200025704644 [1,0,0,0,0,0|1,0,2]=4 1176 B7R0.1 CCCC#CCOC 34a_100000034806_200000210301 [1,0,0,0,0,0|1,0,2]=4 1177 B7R0.1 CCCC#CCOC 7a_100000034806_200000210301 [1,0,0,0,0,0|1,0,2]=4 1178 B7R0.1 CCCC#CCO[13CH3] 34a_100000034806_200025704644 [1,0,0,0,0,0|1,0,2]=4 1179 B7R0.1 CCCC#CCO[13CH3] 7a_100000034806_200025704644 [1,0,0,0,0,0|1,0,2]=4 1180 B7R0.1 CCCCCCNC 2230a_100000210581_200000210301 [1,0,0,0,0,0|1,0,0]=2 1181 B7R0.1 CCCCCCNC 2230a_106832991635_100000210314 [1,0,0,0,0,0|1,0,0]=2 1182 B7R0.1 CCCCCCNC 34a_100102657272_100000210314 [1,0,0,0,0,0|1,0,0]=2 1183 B7R0.1 CCCCCCNC 7a_106832991635_100000210314 [1,0,0,0,0,0|1,0,0]=2 1184 B7R0.1 CCCCCCN[13CH3] 2230a_100000210581_200025704644 [1,0,0,0,0,0|1,0,0]=2 1185 B7R0.1 CCCCCCOC 34a_100000210259_200000210301 [1,0,0,0,0,0|1,0,0]=2 1186 B7R0.1 CCCCCCOC 34a_100138415774_100000210314 [1,0,0,0,0,0|1,0,0]=2 1187 B7R0.1 CCCCCCOC 7a_100000210259_200000210301 [1,0,0,0,0,0|1,0,0]=2 1188 B7R0.1 CCCCCCO[13CH3] 34a_100000210259_200025704644 [1,0,0,0,0,0|1,0,0]=2 1189 B7R0.1 CCCCCCO[13CH3] 7a_100000210259_200025704644 [1,0,0,0,0,0|1,0,0]=2 1190 B7R0.1 CCCCCCSC 62a_100000210314_200000210301 [1,0,0,0,0,0|1,0,0]=2 1191 B7R0.1 CCCCCCSC 62a_200000210301_100000210757 [1,0,0,0,0,0|1,0,0]=2 1192 B7R0.1 CCCCCCS[13CH3] 62a_100000210314_200025704644 [1,0,0,0,0,0|1,0,0]=2 1193 B7R0.1 CCCCCCS[13CH3] 62a_200025704644_100000210757 [1,0,0,0,0,0|1,0,0]=2 1194 B7R0.1 CCCCCNCC 2230a_100000209983_100000210202 [1,0,0,0,0,0|1,0,1]=3 1195 B7R0.1 CCCCCNCC 2230a_100015525214_100000210326 [1,0,0,0,0,0|1,0,1]=3 1196 B7R0.1 CCCCCOCC 34a_100000210253_100000210202 [1,0,0,0,0,0|1,0,1]=3 1197 B7R0.1 CCCCCOCC 34a_100121572206_100000718602 [1,0,0,0,0,0|1,0,1]=3 1198 B7R0.1 CCCCCOCC 7a_100000210253_100000210202 [1,0,0,0,0,0|1,0,1]=3 1199 B7R0.1 CCCCCOCF 34a_100000210253_100015361967 [1,0,0,0,0,0|2,0,1]=4 1200 B7R0.1 CCCCCOCF 7a_100000210253_100015361967 [1,0,0,0,0,0|2,0,1]=4 1201 B7R0.1 CCCCCSCC 62a_100000210202_100000210326 [1,0,0,0,0,0|1,0,1]=3 1202 B7R0.1 CCCCCSCC 62a_100000210326_100000210202 [1,0,0,0,0,0|1,0,1]=3 1203 B7R0.1 CCCCCSCF 62a_100000210326_100015361967 [1,0,0,0,0,0|2,0,1]=4 1204 B7R0.1 CCCCCSCF 62a_100015361967_100000210326 [1,0,0,0,0,0|2,0,1]=4 1205 B7R0.1 CCCCNCC#N 2230a_100000102301_100011215382 [1,0,0,0,0,0|2,0,1]=4 1206 B7R0.1 CCCCNCC#N 7a_106832991798_100011215382 [1,0,0,0,0,0|2,0,1]=4 1207 B7R0.1 CCCCNCC=O 2230a_100000102301_200015260668 [1,0,0,0,0,0|1,0,0]=2 1208 B7R0.1 CCCCNCC=O 7a_106832991798_200015260668 [1,0,0,0,0,0|1,0,0]=2 1209 B7R0.1 CCCCNCCC 2230a_100000102301_100000210303 [1,0,0,0,0,0|1,0,1]=3 1210 B7R0.1 CCCCNCCC 7a_106832991798_100000210303 [1,0,0,0,0,0|1,0,1]=3 1211 B7R0.1 CCCCNCCF 2230a_100000102301_100011217306 [1,0,0,0,0,0|2,0,1]=4 1212 B7R0.1 CCCCNCCF 34a_100000724931_100000210210 [1,0,0,0,0,0|2,0,1]=4 1213 B7R0.1 CCCCNCCF 7a_106832991798_100011217306 [1,0,0,0,0,0|2,0,1]=4 1214 B7R0.1 CCCCNCCO 2230a_100000102301_100000211926 [1,0,0,0,0,0|1,0,2]=4 1215 B7R0.1 CCCCNCCO 2230a_100016997473_100000210211 [1,0,0,0,0,0|1,0,2]=4 1216 B7R0.1 CCCCNCCO 34a_100016990907_100000210210 [1,0,0,0,0,0|1,0,2]=4 1217 B7R0.1 CCCCNCCO 7a_106832991798_100000211926 [1,0,0,0,0,0|1,0,2]=4 1218 B7R0.1 CCCCNCOC 2230a_100000102301_100000766300 [1,0,0,0,0,0|2,0,0]=3 1219 B7R0.1 CCCCNCSC 2230a_100000102301_100011218213 [1,0,0,0,0,0|2,0,0]=3 1220 B7R0.1 CCCCOCC#N 7a_100000210227_100011215382 [1,0,0,0,0,0|2,0,1]=4 1221 B7R0.1 CCCCOCC=O 34a_100000210227_200009817547 [1,0,0,0,0,0|1,0,0]=2 1222 B7R0.1 CCCCOCC=O 7a_100000210227_200015260668 [1,0,0,0,0,0|1,0,0]=2 1223 B7R0.1 CCCCOCCBr 34a_100000211926_100000210210 [1,0,0,0,0,0|2,0,1]=4 1224 B7R0.1 CCCCOCCC 34a_100000210227_100000210303 [1,0,0,0,0,0|1,0,1]=3 1225 B7R0.1 CCCCOCCC 34a_100000210258_100000210210 [1,0,0,0,0,0|1,0,1]=3 1226 B7R0.1 CCCCOCCC 7a_100000210227_100000210303 [1,0,0,0,0,0|1,0,1]=3 1227 B7R0.1 CCCCOCCF 34a_100000210227_100011217306 [1,0,0,0,0,0|2,0,1]=4 1228 B7R0.1 CCCCOCCF 7a_100000210227_100011217306 [1,0,0,0,0,0|2,0,1]=4 1229 B7R0.1 CCCCOCCN 34a_100000210304_100000210210 [1,0,0,0,0,0|2,0,1]=4 1230 B7R0.1 CCCCOCCO 34a_100000210227_100000211926 [1,0,0,0,0,0|1,0,2]=4 1231 B7R0.1 CCCCOCCO 7a_100000210227_100000211926 [1,0,0,0,0,0|1,0,2]=4 1232 B7R0.1 CCCCOCNC 2230a_106832991635_100011995733 [1,0,0,0,0,0|2,0,0]=3 1233 B7R0.1 CCCCOCNC 34a_100102657272_100011995733 [1,0,0,0,0,0|2,0,0]=3 1234 B7R0.1 CCCCOCOC 34a_100138415774_100011995733 [1,0,0,0,0,0|2,0,0]=3 1235 B7R0.1 CCCCOCSC 34a_100000210227_100011218213 [1,0,0,0,0,0|2,0,0]=3 1236 B7R0.1 CCCCOCSC 62a_100011995733_200000210301 [1,0,0,0,0,0|2,0,0]=3 1237 B7R0.1 CCCCOCSC 62a_200000210301_100011995733 [1,0,0,0,0,0|2,0,0]=3 1238 B7R0.1 CCCCOCS[13CH3] 62a_100011995733_200025704644 [1,0,0,0,0,0|2,0,0]=3 1239 B7R0.1 CCCCOCS[13CH3] 62a_200025704644_100011995733 [1,0,0,0,0,0|2,0,0]=3 1240 B7R0.1 CCCCSCC#N 62a_100000210211_100011215382 [1,0,0,0,0,0|2,0,1]=4 1241 B7R0.1 CCCCSCC#N 62a_100011215382_100000210210 [1,0,0,0,0,0|2,0,1]=4 1242 B7R0.1 CCCCSCC=O 62a_100000210211_200015260668 [1,0,0,0,0,0|1,0,0]=2 1243 B7R0.1 CCCCSCC=O 62a_200015260668_100000210210 [1,0,0,0,0,0|1,0,0]=2 1244 B7R0.1 CCCCSCCC 62a_100000210211_100000210303 [1,0,0,0,0,0|1,0,1]=3 1245 B7R0.1 CCCCSCCC 62a_100000210303_100000210210 [1,0,0,0,0,0|1,0,1]=3 1246 B7R0.1 CCCCSCCF 62a_100000210211_100011217306 [1,0,0,0,0,0|2,0,1]=4 1247 B7R0.1 CCCCSCCF 62a_100011217306_100000210210 [1,0,0,0,0,0|2,0,1]=4 1248 B7R0.1 CCCCSCCO 62a_100000210211_100000211926 [1,0,0,0,0,0|1,0,2]=4 1249 B7R0.1 CCCCSCCO 62a_100000211926_100000210210 [1,0,0,0,0,0|1,0,2]=4 1250 B7R0.1 CCCCSCOC 62a_100000210211_100000766300 [1,0,0,0,0,0|2,0,0]=3 1251 B7R0.1 CCCCSCOC 62a_100000766300_100000210210 [1,0,0,0,0,0|2,0,0]=3 1252 B7R0.1 CCCCSCSC 62a_100000210211_100011218213 [1,0,0,0,0,0|2,0,0]=3 1253 B7R0.1 CCCCSCSC 62a_100011218213_100000210210 [1,0,0,0,0,0|2,0,0]=3 1254 B7R0.1 CCCNCCCF 2230a_100015189416_100000210303 [1,0,0,0,0,0|2,0,1]=4 1255 B7R0.1 CCCNCCCF 34a_100015189416_100000210303 [1,0,0,0,0,0|2,0,1]=4 1256 B7R0.1 CCCNCCOC 2230a_100000209980_100000210303 [1,0,0,0,0,0|2,0,0]=3 1257 B7R0.1 CCCNCCSC 2230a_100020590264_100000210303 [1,0,0,0,0,0|2,0,0]=3 1258 B7R0.1 CCCOCCCBr 34a_100011217188_100000210303 [1,0,0,0,0,0|2,0,1]=4 1259 B7R0.1 CCCOCCCCl 34a_100000230001_100000210303 [1,0,0,0,0,0|2,0,1]=4 1260 B7R0.1 CCCOCCCF 34a_100000210258_100011934791 [1,0,0,0,0,0|2,0,1]=4 1261 B7R0.1 CCCOCCCF 34a_100000759539_100000210303 [1,0,0,0,0,0|2,0,1]=4 1262 B7R0.1 CCCOCCCN 34a_100000182051_100000210303 [1,0,0,0,0,0|2,0,1]=4 1263 B7R0.1 CCCOCCCO 34a_100000210258_100000230001 [1,0,0,0,0,0|1,0,2]=4 1264 B7R0.1 CCCOCCNC 2230a_100161115042_200000210301 [1,0,0,0,0,0|2,0,0]=3 1265 B7R0.1 CCCOCCNC 2230a_106832991635_100011215938 [1,0,0,0,0,0|2,0,0]=3 1266 B7R0.1 CCCOCCNC 34a_100102657272_100011215938 [1,0,0,0,0,0|2,0,0]=3 1267 B7R0.1 CCCOCCNC 34a_100161115042_200000210301 [1,0,0,0,0,0|2,0,0]=3 1268 B7R0.1 CCCOCCNC 7a_106832991635_100011215938 [1,0,0,0,0,0|2,0,0]=3 1269 B7R0.1 CCCOCCN[13CH3] 2230a_100161115042_200025704644 [1,0,0,0,0,0|2,0,0]=3 1270 B7R0.1 CCCOCCN[13CH3] 34a_100161115042_200025704644 [1,0,0,0,0,0|2,0,0]=3 1271 B7R0.1 CCCOCCOC 34a_100000210237_100000210303 [1,0,0,0,0,0|2,0,0]=3 1272 B7R0.1 CCCOCCOC 34a_100000210258_100011201679 [1,0,0,0,0,0|2,0,0]=3 1273 B7R0.1 CCCOCCOC 34a_100000752267_200000210301 [1,0,0,0,0,0|2,0,0]=3 1274 B7R0.1 CCCOCCOC 34a_100138415774_100011215938 [1,0,0,0,0,0|2,0,0]=3 1275 B7R0.1 CCCOCCOC 7a_100000752267_200000210301 [1,0,0,0,0,0|2,0,0]=3 1276 B7R0.1 CCCOCCON 34a_100000700252_100000210303 [1,0,0,0,0,0|3,0,0]=4 1277 B7R0.1 CCCOCCO[13CH3] 34a_100000752267_200025704644 [1,0,0,0,0,0|2,0,0]=3 1278 B7R0.1 CCCOCCO[13CH3] 7a_100000752267_200025704644 [1,0,0,0,0,0|2,0,0]=3 1279 B7R0.1 CCCOCCSC 34a_100000210258_100000212216 [1,0,0,0,0,0|2,0,0]=3 1280 B7R0.1 CCCOCCSC 34a_100000230434_100000210303 [1,0,0,0,0,0|2,0,0]=3 1281 B7R0.1 CCCOCCSC 62a_100011215938_200000210301 [1,0,0,0,0,0|2,0,0]=3 1282 B7R0.1 CCCOCCSC 62a_200000210301_100011215938 [1,0,0,0,0,0|2,0,0]=3 1283 B7R0.1 CCCOCCSC 7a_100000230434_100000210303 [1,0,0,0,0,0|2,0,0]=3 1284 B7R0.1 CCCOCCS[13CH3] 62a_100011215938_200025704644 [1,0,0,0,0,0|2,0,0]=3 1285 B7R0.1 CCCOCCS[13CH3] 62a_200025704644_100011215938 [1,0,0,0,0,0|2,0,0]=3 1286 B7R0.1 CCCSCCC#N 62a_100000210303_100011215226 [1,0,0,0,0,0|2,0,1]=4 1287 B7R0.1 CCCSCCC#N 62a_100011215226_100000210303 [1,0,0,0,0,0|2,0,1]=4 1288 B7R0.1 CCCSCCCF 62a_100000210303_100011934791 [1,0,0,0,0,0|2,0,1]=4 1289 B7R0.1 CCCSCCCF 62a_100011934791_100000210303 [1,0,0,0,0,0|2,0,1]=4 1290 B7R0.1 CCCSCCCO 62a_100000210303_100011215043 [1,0,0,0,0,0|1,0,2]=4 1291 B7R0.1 CCCSCCCO 62a_100011215043_100000210303 [1,0,0,0,0,0|1,0,2]=4 1292 B7R0.1 CCCSCCNC 2230a_100020603323_200000210301 [1,0,0,0,0,0|2,0,0]=3 1293 B7R0.1 CCCSCCN[13CH3] 2230a_100020603323_200025704644 [1,0,0,0,0,0|2,0,0]=3 1294 B7R0.1 CCCSCCOC 34a_200000230433_200000210301 [1,0,0,0,0,0|2,0,0]=3 1295 B7R0.1 CCCSCCOC 62a_100000210303_100000233755 [1,0,0,0,0,0|2,0,0]=3 1296 B7R0.1 CCCSCCOC 62a_100000233755_100000210303 [1,0,0,0,0,0|2,0,0]=3 1297 B7R0.1 CCCSCCOC 7a_200000230433_200000210301 [1,0,0,0,0,0|2,0,0]=3 1298 B7R0.1 CCCSCCO[13CH3] 34a_200000230433_200025704644 [1,0,0,0,0,0|2,0,0]=3 1299 B7R0.1 CCCSCCO[13CH3] 7a_200000230433_200025704644 [1,0,0,0,0,0|2,0,0]=3 1300 B7R0.1 CCCSCCSC 62a_100000210303_100000751147 [1,0,0,0,0,0|2,0,0]=3 1301 B7R0.1 CCCSCCSC 62a_100000212216_100000210303 [1,0,0,0,0,0|2,0,0]=3 1302 B7R0.1 CCCSCOCC 62a_100000210303_100000739092 [1,0,0,0,0,0|2,0,1]=4 1303 B7R0.1 CCCSCOCC 62a_100000739092_100000210303 [1,0,0,0,0,0|2,0,1]=4 1304 B7R0.1 CCNCCCC#N 2230a_100015525214_100000687738 [1,0,0,0,0,0|2,0,1]=4 1305 B7R0.1 CCNCCCC=O 2230a_100015525214_200011292268 [1,0,0,0,0,0|1,0,0]=2 1306 B7R0.1 CCNCCCCF 2230a_100015525214_100000729493 [1,0,0,0,0,0|2,0,1]=4 1307 B7R0.1 CCNCCCCO 2230a_100000750430_100000210202 [1,0,0,0,0,0|1,0,2]=4 1308 B7R0.1 CCNCCCCO 2230a_100015525214_100000210776 [1,0,0,0,0,0|1,0,2]=4 1309 B7R0.1 CCNCCCCO 34a_100000750430_100000210202 [1,0,0,0,0,0|1,0,2]=4 1310 B7R0.1 CCNCCCOC 2230a_100015525214_100000740836 [1,0,0,0,0,0|2,0,0]=3 1311 B7R0.1 CCNCCCOC 34a_100150723488_100000210202 [1,0,0,0,0,0|2,0,0]=3 1312 B7R0.1 CCNCCCSC 2230a_100000749238_100000210202 [1,0,0,0,0,0|2,0,0]=3 1313 B7R0.1 CCNCCOCC 2230a_100015525214_100011215890 [1,0,0,0,0,0|2,0,1]=4 1314 B7R0.1 CCNCCOCC 2230a_102516460346_100000210202 [1,0,0,0,0,0|2,0,1]=4 1315 B7R0.1 CCNCCOCC 34a_102516460346_100000210202 [1,0,0,0,0,0|2,0,1]=4 1316 B7R0.1 CCNCCSCC 2230a_100000106463_100000210202 [1,0,0,0,0,0|2,0,1]=4 1317 B7R0.1 CCNCCSCC 2230a_100015525214_100000757381 [1,0,0,0,0,0|2,0,1]=4 1318 B7R0.1 CCOCCCCBr 34a_100011216708_100000210202 [1,0,0,0,0,0|2,0,1]=4 1319 B7R0.1 CCOCCCCCl 34a_100000210776_100000210202 [1,0,0,0,0,0|2,0,1]=4 1320 B7R0.1 CCOCCCCCl 7a_100000210776_100000210202 [1,0,0,0,0,0|2,0,1]=4 1321 B7R0.1 CCOCCCCF 34a_100011995726_100000210202 [1,0,0,0,0,0|2,0,1]=4 1322 B7R0.1 CCOCCCCF 34a_100121572206_100000729493 [1,0,0,0,0,0|2,0,1]=4 1323 B7R0.1 CCOCCCCF 7a_100011995726_100000210202 [1,0,0,0,0,0|2,0,1]=4 1324 B7R0.1 CCOCCCCI 34a_200012148704_100000210202 [1,0,0,0,0,0|2,0,1]=4 1325 B7R0.1 CCOCCCCN 34a_100000750430_100000210202 [1,0,0,0,0,0|2,0,1]=4 1326 B7R0.1 CCOCCCCO 34a_100121572206_100011216708 [1,0,0,0,0,0|1,0,2]=4 1327 B7R0.1 CCOCCCNC 2230a_100000210961_200000210301 [1,0,0,0,0,0|2,0,0]=3 1328 B7R0.1 CCOCCCNC 2230a_106832991635_100012232248 [1,0,0,0,0,0|2,0,0]=3 1329 B7R0.1 CCOCCCNC 34a_100000210961_200000210301 [1,0,0,0,0,0|2,0,0]=3 1330 B7R0.1 CCOCCCNC 34a_100000213112_100000210202 [1,0,0,0,0,0|2,0,0]=3 1331 B7R0.1 CCOCCCNC 34a_100102657272_100012232248 [1,0,0,0,0,0|2,0,0]=3 1332 B7R0.1 CCOCCCNC 7a_106832991635_100012232248 [1,0,0,0,0,0|2,0,0]=3 1333 B7R0.1 CCOCCCN[13CH3] 2230a_100000210961_200025704644 [1,0,0,0,0,0|2,0,0]=3 1334 B7R0.1 CCOCCCN[13CH3] 34a_100000210961_200025704644 [1,0,0,0,0,0|2,0,0]=3 1335 B7R0.1 CCOCCCOC 34a_100000740835_100000210202 [1,0,0,0,0,0|2,0,0]=3 1336 B7R0.1 CCOCCCOC 34a_100000757476_200000210301 [1,0,0,0,0,0|2,0,0]=3 1337 B7R0.1 CCOCCCOC 34a_100121572206_100000740836 [1,0,0,0,0,0|2,0,0]=3 1338 B7R0.1 CCOCCCOC 34a_100138415774_100012232248 [1,0,0,0,0,0|2,0,0]=3 1339 B7R0.1 CCOCCCOC 7a_100000757476_200000210301 [1,0,0,0,0,0|2,0,0]=3 1340 B7R0.1 CCOCCCO[13CH3] 34a_100000757476_200025704644 [1,0,0,0,0,0|2,0,0]=3 1341 B7R0.1 CCOCCCO[13CH3] 7a_100000757476_200025704644 [1,0,0,0,0,0|2,0,0]=3 1342 B7R0.1 CCOCCCSC 34a_100000690336_100000210202 [1,0,0,0,0,0|2,0,0]=3 1343 B7R0.1 CCOCCCSC 62a_100012232248_200000210301 [1,0,0,0,0,0|2,0,0]=3 1344 B7R0.1 CCOCCCSC 62a_200000210301_100012232248 [1,0,0,0,0,0|2,0,0]=3 1345 B7R0.1 CCOCCCSC 7a_100000690336_100000210202 [1,0,0,0,0,0|2,0,0]=3 1346 B7R0.1 CCOCCCS[13CH3] 62a_100012232248_200025704644 [1,0,0,0,0,0|2,0,0]=3 1347 B7R0.1 CCOCCCS[13CH3] 62a_200025704644_100012232248 [1,0,0,0,0,0|2,0,0]=3 1348 B7R0.1 CCOCCOCC 34a_100000210136_100000210202 [1,0,0,0,0,0|2,0,1]=4 1349 B7R0.1 CCOCCOCC 34a_100121572206_100000210147 [1,0,0,0,0,0|2,0,1]=4 1350 B7R0.1 CCOCCOCC 7a_100000210136_100000210202 [1,0,0,0,0,0|2,0,1]=4 1351 B7R0.1 CCOCCSCC 34a_100000212035_100000210202 [1,0,0,0,0,0|2,0,1]=4 1352 B7R0.1 CCOCCSCC 34a_100121572206_100000757381 [1,0,0,0,0,0|2,0,1]=4 1353 B7R0.1 CCOCCSCC 62a_100000210147_100000210202 [1,0,0,0,0,0|2,0,1]=4 1354 B7R0.1 CCOCCSCC 62a_100000210202_100011215890 [1,0,0,0,0,0|2,0,1]=4 1355 B7R0.1 CCOCCSCC 7a_100000212035_100000210202 [1,0,0,0,0,0|2,0,1]=4 1356 B7R0.1 CCOCSCC=O 62a_100000739092_200015260668 [1,0,0,0,0,0|2,0,0]=3 1357 B7R0.1 CCOCSCC=O 62a_200015260668_100000739092 [1,0,0,0,0,0|2,0,0]=3 1358 B7R0.1 CCOCSCOC 62a_100000739092_100000766300 [1,0,0,0,0,0|3,0,0]=4 1359 B7R0.1 CCOCSCOC 62a_100000766300_100000739092 [1,0,0,0,0,0|3,0,0]=4 1360 B7R0.1 CCOCSCSC 62a_100000739092_100011218213 [1,0,0,0,0,0|3,0,0]=4 1361 B7R0.1 CCOCSCSC 62a_100011218213_100000739092 [1,0,0,0,0,0|3,0,0]=4 1362 B7R0.1 CCSCCCC#N 62a_100000210202_100000687738 [1,0,0,0,0,0|2,0,1]=4 1363 B7R0.1 CCSCCCC#N 62a_100000687738_100000210202 [1,0,0,0,0,0|2,0,1]=4 1364 B7R0.1 CCSCCCC=O 62a_100000210202_200011292268 [1,0,0,0,0,0|1,0,0]=2 1365 B7R0.1 CCSCCCC=O 62a_200011292268_100000210202 [1,0,0,0,0,0|1,0,0]=2 1366 B7R0.1 CCSCCCCF 62a_100000210202_100000729493 [1,0,0,0,0,0|2,0,1]=4 1367 B7R0.1 CCSCCCCF 62a_100000729493_100000210202 [1,0,0,0,0,0|2,0,1]=4 1368 B7R0.1 CCSCCCCO 62a_100000210202_100000210776 [1,0,0,0,0,0|1,0,2]=4 1369 B7R0.1 CCSCCCCO 62a_100000210776_100000210202 [1,0,0,0,0,0|1,0,2]=4 1370 B7R0.1 CCSCCCOC 34a_100011216438_200000210301 [1,0,0,0,0,0|2,0,0]=3 1371 B7R0.1 CCSCCCOC 62a_100000210202_100000709357 [1,0,0,0,0,0|2,0,0]=3 1372 B7R0.1 CCSCCCOC 62a_100000709357_100000210202 [1,0,0,0,0,0|2,0,0]=3 1373 B7R0.1 CCSCCCOC 7a_100011216438_200000210301 [1,0,0,0,0,0|2,0,0]=3 1374 B7R0.1 CCSCCCO[13CH3] 34a_100011216438_200025704644 [1,0,0,0,0,0|2,0,0]=3 1375 B7R0.1 CCSCCCO[13CH3] 7a_100011216438_200025704644 [1,0,0,0,0,0|2,0,0]=3 1376 B7R0.1 CCSCCSCC 62a_100000210202_100000757381 [1,0,0,0,0,0|2,0,1]=4 1377 B7R0.1 CCSCCSCC 62a_100000757381_100000210202 [1,0,0,0,0,0|2,0,1]=4 1378 B7R0.1 CNCCCCC#N 2230a_106832991635_100000211819 [1,0,0,0,0,0|2,0,1]=4 1379 B7R0.1 CNCCCCC#N 7a_106832991635_100000211819 [1,0,0,0,0,0|2,0,1]=4 1380 B7R0.1 CNCCCCC=O 2230a_106832991635_100000139335 [1,0,0,0,0,0|1,0,0]=2 1381 B7R0.1 CNCCCCC=O 7a_106832991635_100000139335 [1,0,0,0,0,0|1,0,0]=2 1382 B7R0.1 CNCCCCCF 2230a_106832991635_100000729378 [1,0,0,0,0,0|2,0,0]=3 1383 B7R0.1 CNCCCCCF 34a_100102657272_100000729378 [1,0,0,0,0,0|2,0,0]=3 1384 B7R0.1 CNCCCCCF 7a_106832991635_100000729378 [1,0,0,0,0,0|2,0,0]=3 1385 B7R0.1 CNCCCCCO 2230a_100000762737_200000210301 [1,0,0,0,0,0|2,0,0]=3 1386 B7R0.1 CNCCCCCO 2230a_106832991635_100000746330 [1,0,0,0,0,0|2,0,0]=3 1387 B7R0.1 CNCCCCCO 34a_100000762737_200000210301 [1,0,0,0,0,0|2,0,0]=3 1388 B7R0.1 CNCCCCCO 34a_100102657272_100000746330 [1,0,0,0,0,0|2,0,0]=3 1389 B7R0.1 CNCCCCCO 7a_106832991635_100000746330 [1,0,0,0,0,0|2,0,0]=3 1390 B7R0.1 CNCCCCOC 2230a_106832991635_100000730899 [1,0,0,0,0,0|2,0,0]=3 1391 B7R0.1 CNCCCCOC 34a_100102657272_100000755781 [1,0,0,0,0,0|2,0,0]=3 1392 B7R0.1 CNCCCCOC 7a_106832991635_100000730899 [1,0,0,0,0,0|2,0,0]=3 1393 B7R0.1 CNCCCOCF 34a_100000213112_100015361967 [1,0,0,0,0,0|3,0,0]=4 1394 B7R0.1 CNCCOCCO 2230a_100000211614_200000210301 [1,0,0,0,0,0|3,0,0]=4 1395 B7R0.1 CNCCOCCO 2230a_106832991635_100011215305 [1,0,0,0,0,0|3,0,0]=4 1396 B7R0.1 CNCCOCCO 34a_100000211614_200000210301 [1,0,0,0,0,0|3,0,0]=4 1397 B7R0.1 CNCCOCCO 34a_100102657272_100000692535 [1,0,0,0,0,0|3,0,0]=4 1398 B7R0.1 CNCCOCCO 7a_106832991635_100011215305 [1,0,0,0,0,0|3,0,0]=4 1399 B7R0.1 CNCCSCCO 2230a_100011219999_200000210301 [1,0,0,0,0,0|3,0,0]=4 1400 B7R0.1 CNCOCCOC 2230a_106832991635_100000231047 [1,0,0,0,0,0|3,0,0]=4 1401 B7R0.1 COCCCCCBr 34a_100000746331_200000210301 [1,0,0,0,0,0|2,0,0]=3 1402 B7R0.1 COCCCCCBr 7a_100000746331_200000210301 [1,0,0,0,0,0|2,0,0]=3 1403 B7R0.1 COCCCCCCl 34a_100000746330_200000210301 [1,0,0,0,0,0|2,0,0]=3 1404 B7R0.1 COCCCCCCl 7a_100000746330_200000210301 [1,0,0,0,0,0|2,0,0]=3 1405 B7R0.1 COCCCCCF 34a_100138415774_100000729378 [1,0,0,0,0,0|2,0,0]=3 1406 B7R0.1 COCCCCCI 34a_200012148887_200000210301 [1,0,0,0,0,0|2,0,0]=3 1407 B7R0.1 COCCCCCI 7a_200012148887_200000210301 [1,0,0,0,0,0|2,0,0]=3 1408 B7R0.1 COCCCCCN 34a_100000762737_200000210301 [1,0,0,0,0,0|2,0,0]=3 1409 B7R0.1 COCCCCCO 34a_100138415774_100000746330 [1,0,0,0,0,0|2,0,0]=3 1410 B7R0.1 COCCCCOC 34a_100000740925_200000210301 [1,0,0,0,0,0|2,0,0]=3 1411 B7R0.1 COCCCCOC 34a_100138415774_100000755781 [1,0,0,0,0,0|2,0,0]=3 1412 B7R0.1 COCCCCO[13CH3] 34a_100000740925_200025704644 [1,0,0,0,0,0|2,0,0]=3 1413 B7R0.1 COCCCCSC 34a_100011217163_200000210301 [1,0,0,0,0,0|2,0,0]=3 1414 B7R0.1 COCCCCSC 62a_100000730899_200000210301 [1,0,0,0,0,0|2,0,0]=3 1415 B7R0.1 COCCCCSC 62a_200000210301_100000730899 [1,0,0,0,0,0|2,0,0]=3 1416 B7R0.1 COCCCCSC 7a_100011217163_200000210301 [1,0,0,0,0,0|2,0,0]=3 1417 B7R0.1 COCCCCS[13CH3] 62a_100000730899_200025704644 [1,0,0,0,0,0|2,0,0]=3 1418 B7R0.1 COCCCCS[13CH3] 62a_200025704644_100000730899 [1,0,0,0,0,0|2,0,0]=3 1419 B7R0.1 COCCCNCF 34a_100150723488_100015361967 [1,0,0,0,0,0|3,0,0]=4 1420 B7R0.1 COCCCOCF 34a_100000740835_100015361967 [1,0,0,0,0,0|3,0,0]=4 1421 B7R0.1 COCCCSCF 62a_100000709357_100015361967 [1,0,0,0,0,0|3,0,0]=4 1422 B7R0.1 COCCCSCF 62a_100015361967_100000709357 [1,0,0,0,0,0|3,0,0]=4 1423 B7R0.1 COCCNCC=O 2230a_100000209980_200015260668 [1,0,0,0,0,0|2,0,0]=3 1424 B7R0.1 COCCNCCF 2230a_100000209980_100011217306 [1,0,0,0,0,0|3,0,0]=4 1425 B7R0.1 COCCNCCF 34a_100000724931_100011201679 [1,0,0,0,0,0|3,0,0]=4 1426 B7R0.1 COCCNCCO 2230a_100000209980_100000211926 [1,0,0,0,0,0|3,0,0]=4 1427 B7R0.1 COCCNCCO 2230a_100016997473_100011201679 [1,0,0,0,0,0|3,0,0]=4 1428 B7R0.1 COCCNCCO 34a_100016990907_100011201679 [1,0,0,0,0,0|3,0,0]=4 1429 B7R0.1 COCCNCOC 2230a_100000209980_100000766300 [1,0,0,0,0,0|3,0,0]=4 1430 B7R0.1 COCCNCSC 2230a_100000209980_100011218213 [1,0,0,0,0,0|3,0,0]=4 1431 B7R0.1 COCCOCC=O 34a_100000210237_200009817547 [1,0,0,0,0,0|2,0,0]=3 1432 B7R0.1 COCCOCCBr 34a_100000211926_100011201679 [1,0,0,0,0,0|3,0,0]=4 1433 B7R0.1 COCCOCCBr 34a_100000692535_200000210301 [1,0,0,0,0,0|3,0,0]=4 1434 B7R0.1 COCCOCCBr 7a_100000692535_200000210301 [1,0,0,0,0,0|3,0,0]=4 1435 B7R0.1 COCCOCCCl 34a_100011215305_200000210301 [1,0,0,0,0,0|3,0,0]=4 1436 B7R0.1 COCCOCCCl 7a_100011215305_200000210301 [1,0,0,0,0,0|3,0,0]=4 1437 B7R0.1 COCCOCCF 34a_100000210237_100011217306 [1,0,0,0,0,0|3,0,0]=4 1438 B7R0.1 COCCOCCF 34a_200015357709_200000210301 [1,0,0,0,0,0|3,0,0]=4 1439 B7R0.1 COCCOCCF 7a_200015357709_200000210301 [1,0,0,0,0,0|3,0,0]=4 1440 B7R0.1 COCCOCCI 34a_100012149058_200000210301 [1,0,0,0,0,0|3,0,0]=4 1441 B7R0.1 COCCOCCI 7a_100012149058_200000210301 [1,0,0,0,0,0|3,0,0]=4 1442 B7R0.1 COCCOCCN 34a_100000210304_100011201679 [1,0,0,0,0,0|3,0,0]=4 1443 B7R0.1 COCCOCCN 34a_100000211614_200000210301 [1,0,0,0,0,0|3,0,0]=4 1444 B7R0.1 COCCOCCO 34a_100000210237_100000211926 [1,0,0,0,0,0|3,0,0]=4 1445 B7R0.1 COCCOCCO 34a_100138415774_100000692535 [1,0,0,0,0,0|3,0,0]=4 1446 B7R0.1 COCCOCSC 34a_100000210237_100011218213 [1,0,0,0,0,0|3,0,0]=4 1447 B7R0.1 COCCOCSC 62a_100000231047_200000210301 [1,0,0,0,0,0|3,0,0]=4 1448 B7R0.1 COCCOCSC 62a_200000210301_100000231047 [1,0,0,0,0,0|3,0,0]=4 1449 B7R0.1 COCCOCS[13CH3] 62a_100000231047_200025704644 [1,0,0,0,0,0|3,0,0]=4 1450 B7R0.1 COCCOCS[13CH3] 62a_200025704644_100000231047 [1,0,0,0,0,0|3,0,0]=4 1451 B7R0.1 COCCSCC=O 62a_100000233755_200015260668 [1,0,0,0,0,0|2,0,0]=3 1452 B7R0.1 COCCSCC=O 62a_200015260668_100000233755 [1,0,0,0,0,0|2,0,0]=3 1453 B7R0.1 COCCSCCF 62a_100000233755_100011217306 [1,0,0,0,0,0|3,0,0]=4 1454 B7R0.1 COCCSCCF 62a_100011217306_100000233755 [1,0,0,0,0,0|3,0,0]=4 1455 B7R0.1 COCCSCCO 62a_100000211926_100000233755 [1,0,0,0,0,0|3,0,0]=4 1456 B7R0.1 COCCSCCO 62a_100000233755_100000211926 [1,0,0,0,0,0|3,0,0]=4 1457 B7R0.1 COCCSCOC 62a_100000233755_100000766300 [1,0,0,0,0,0|3,0,0]=4 1458 B7R0.1 COCCSCOC 62a_100000766300_100000233755 [1,0,0,0,0,0|3,0,0]=4 1459 B7R0.1 COCCSCSC 62a_100000233755_100011218213 [1,0,0,0,0,0|3,0,0]=4 1460 B7R0.1 COCCSCSC 62a_100011218213_100000233755 [1,0,0,0,0,0|3,0,0]=4 1461 B7R0.1 COCNCCCF 2230a_100015189416_100000766300 [1,0,0,0,0,0|3,0,0]=4 1462 B7R0.1 COCNCCSC 2230a_100020590264_100000766300 [1,0,0,0,0,0|3,0,0]=4 1463 B7R0.1 COCSCCCF 62a_100000766300_100011934791 [1,0,0,0,0,0|3,0,0]=4 1464 B7R0.1 COCSCCCF 62a_100011934791_100000766300 [1,0,0,0,0,0|3,0,0]=4 1465 B7R0.1 COCSCCCO 62a_100000766300_100011215043 [1,0,0,0,0,0|3,0,0]=4 1466 B7R0.1 COCSCCCO 62a_100011215043_100000766300 [1,0,0,0,0,0|3,0,0]=4 1467 B7R0.1 COCSCCSC 62a_100000212216_100000766300 [1,0,0,0,0,0|3,0,0]=4 1468 B7R0.1 COCSCCSC 62a_100000766300_100000751147 [1,0,0,0,0,0|3,0,0]=4 1469 B7R0.1 CSCCCCC#N 62a_100011219923_200000210301 [1,0,0,0,0,0|2,0,1]=4 1470 B7R0.1 CSCCCCC#N 62a_200000210301_100000211819 [1,0,0,0,0,0|2,0,1]=4 1471 B7R0.1 CSCCCCC=O 62a_100000139335_200000210301 [1,0,0,0,0,0|1,0,0]=2 1472 B7R0.1 CSCCCCC=O 62a_200000210301_100000139335 [1,0,0,0,0,0|1,0,0]=2 1473 B7R0.1 CSCCCCCF 62a_100000729378_200000210301 [1,0,0,0,0,0|2,0,0]=3 1474 B7R0.1 CSCCCCCF 62a_200000210301_100000729378 [1,0,0,0,0,0|2,0,0]=3 1475 B7R0.1 CSCCCCCO 62a_100000746330_200000210301 [1,0,0,0,0,0|2,0,0]=3 1476 B7R0.1 CSCCCCCO 62a_200000210301_100000746330 [1,0,0,0,0,0|2,0,0]=3 1477 B7R0.1 CSCCCCO[13CH3] 34a_100011217163_200025704644 [1,0,0,0,0,0|2,0,0]=3 1478 B7R0.1 CSCCCCO[13CH3] 7a_100011217163_200025704644 [1,0,0,0,0,0|2,0,0]=3 1479 B7R0.1 CSCCCOCF 34a_100000690336_100015361967 [1,0,0,0,0,0|3,0,0]=4 1480 B7R0.1 CSCCCOCF 7a_100000690336_100015361967 [1,0,0,0,0,0|3,0,0]=4 1481 B7R0.1 CSCCNCC=O 2230a_100020590264_200015260668 [1,0,0,0,0,0|2,0,0]=3 1482 B7R0.1 CSCCNCCF 2230a_100020590264_100011217306 [1,0,0,0,0,0|3,0,0]=4 1483 B7R0.1 CSCCNCCF 34a_100000724931_100000212216 [1,0,0,0,0,0|3,0,0]=4 1484 B7R0.1 CSCCNCCO 2230a_100016997473_100000751147 [1,0,0,0,0,0|3,0,0]=4 1485 B7R0.1 CSCCNCCO 2230a_100020590264_100000211926 [1,0,0,0,0,0|3,0,0]=4 1486 B7R0.1 CSCCNCCO 34a_100016990907_100000212216 [1,0,0,0,0,0|3,0,0]=4 1487 B7R0.1 CSCCNCSC 2230a_100020590264_100011218213 [1,0,0,0,0,0|3,0,0]=4 1488 B7R0.1 CSCCOCC=O 34a_100000230434_200009817547 [1,0,0,0,0,0|2,0,0]=3 1489 B7R0.1 CSCCOCC=O 7a_100000230434_200015260668 [1,0,0,0,0,0|2,0,0]=3 1490 B7R0.1 CSCCOCCBr 34a_100000211926_100000212216 [1,0,0,0,0,0|3,0,0]=4 1491 B7R0.1 CSCCOCCF 34a_100000230434_100011217306 [1,0,0,0,0,0|3,0,0]=4 1492 B7R0.1 CSCCOCCF 7a_100000230434_100011217306 [1,0,0,0,0,0|3,0,0]=4 1493 B7R0.1 CSCCOCCN 34a_100000210304_100000212216 [1,0,0,0,0,0|3,0,0]=4 1494 B7R0.1 CSCCOCCO 34a_100000230434_100000211926 [1,0,0,0,0,0|3,0,0]=4 1495 B7R0.1 CSCCOCCO 62a_100011215305_200000210301 [1,0,0,0,0,0|3,0,0]=4 1496 B7R0.1 CSCCOCCO 62a_200000210301_100011215305 [1,0,0,0,0,0|3,0,0]=4 1497 B7R0.1 CSCCOCCO 7a_100000230434_100000211926 [1,0,0,0,0,0|3,0,0]=4 1498 B7R0.1 CSCCOCSC 34a_100000230434_100011218213 [1,0,0,0,0,0|3,0,0]=4 1499 B7R0.1 CSCCSCC=O 62a_100000212216_200015260668 [1,0,0,0,0,0|2,0,0]=3 1500 B7R0.1 CSCCSCC=O 62a_200015260668_100000751147 [1,0,0,0,0,0|2,0,0]=3 1501 B7R0.1 CSCCSCCF 62a_100000212216_100011217306 [1,0,0,0,0,0|3,0,0]=4 1502 B7R0.1 CSCCSCCF 62a_100011217306_100000751147 [1,0,0,0,0,0|3,0,0]=4 1503 B7R0.1 CSCCSCCO 62a_100000211926_100000751147 [1,0,0,0,0,0|3,0,0]=4 1504 B7R0.1 CSCCSCCO 62a_100000212216_100000211926 [1,0,0,0,0,0|3,0,0]=4 1505 B7R0.1 CSCCSCSC 62a_100000212216_100011218213 [1,0,0,0,0,0|3,0,0]=4 1506 B7R0.1 CSCCSCSC 62a_100011218213_100000751147 [1,0,0,0,0,0|3,0,0]=4 1507 B7R0.1 CSCNCCCF 2230a_100015189416_100011218213 [1,0,0,0,0,0|3,0,0]=4 1508 B7R0.1 CSCNCCCF 34a_100015189416_100011218213 [1,0,0,0,0,0|3,0,0]=4 1509 B7R0.1 CSCOCCCBr 34a_100011217188_100011218213 [1,0,0,0,0,0|3,0,0]=4 1510 B7R0.1 CSCOCCCCl 34a_100000230001_100011218213 [1,0,0,0,0,0|3,0,0]=4 1511 B7R0.1 CSCOCCCF 34a_100000759539_100011218213 [1,0,0,0,0,0|3,0,0]=4 1512 B7R0.1 CSCOCCCN 34a_100000182051_100011218213 [1,0,0,0,0,0|3,0,0]=4 1513 B7R0.1 CSCSCCCF 62a_100011218213_100011934791 [1,0,0,0,0,0|3,0,0]=4 1514 B7R0.1 CSCSCCCF 62a_100011934791_100011218213 [1,0,0,0,0,0|3,0,0]=4 1515 B7R0.1 CSCSCCCO 62a_100011215043_100011218213 [1,0,0,0,0,0|3,0,0]=4 1516 B7R0.1 CSCSCCCO 62a_100011218213_100011215043 [1,0,0,0,0,0|3,0,0]=4 1517 B7R0.1 N#CCCSCC=O 62a_100011215226_200015260668 [1,0,0,0,0,0|2,0,1]=4 1518 B7R0.1 N#CCCSCC=O 62a_200015260668_100011215226 [1,0,0,0,0,0|2,0,1]=4 1519 B7R0.1 NCCCOCC=O 34a_100000182051_200009817547 [1,0,0,0,0,0|2,0,0]=3 1520 B7R0.1 NOCCOCC=O 34a_100000700252_200009817547 [1,0,0,0,0,0|3,0,0]=4 1521 B7R0.1 O=CCCCSCF 62a_100015361967_200011292268 [1,0,0,0,0,0|2,0,0]=3 1522 B7R0.1 O=CCCCSCF 62a_200011292268_100015361967 [1,0,0,0,0,0|2,0,0]=3 1523 B7R0.1 O=CCNCCCF 2230a_100015189416_200015260668 [1,0,0,0,0,0|2,0,0]=3 1524 B7R0.1 O=CCNCCCF 34a_100015189416_200009817547 [1,0,0,0,0,0|2,0,0]=3 1525 B7R0.1 O=CCOCCCBr 34a_100011217188_200009817547 [1,0,0,0,0,0|2,0,0]=3 1526 B7R0.1 O=CCOCCCCl 34a_100000230001_200009817547 [1,0,0,0,0,0|2,0,0]=3 1527 B7R0.1 O=CCOCCCF 34a_100000759539_200009817547 [1,0,0,0,0,0|2,0,0]=3 1528 B7R0.1 O=CCSCCCF 62a_100011934791_200015260668 [1,0,0,0,0,0|2,0,0]=3 1529 B7R0.1 O=CCSCCCF 62a_200015260668_100011934791 [1,0,0,0,0,0|2,0,0]=3 1530 B7R0.1 O=CCSCCCO 62a_100011215043_200015260668 [1,0,0,0,0,0|2,0,0]=3 1531 B7R0.1 O=CCSCCCO 62a_200015260668_100011215043 [1,0,0,0,0,0|2,0,0]=3 1532 B7R0.1 [13CH3]NCCCCCO 2230a_100000762737_200025704644 [1,0,0,0,0,0|2,0,0]=3 1533 B7R0.1 [13CH3]NCCCCCO 34a_100000762737_200025704644 [1,0,0,0,0,0|2,0,0]=3 1534 B7R0.1 [13CH3]NCCOCCO 2230a_100000211614_200025704644 [1,0,0,0,0,0|3,0,0]=4 1535 B7R0.1 [13CH3]NCCOCCO 34a_100000211614_200025704644 [1,0,0,0,0,0|3,0,0]=4 1536 B7R0.1 [13CH3]NCCSCCO 2230a_100011219999_200025704644 [1,0,0,0,0,0|3,0,0]=4 1537 B7R0.1 [13CH3]OCCCCCBr 34a_100000746331_200025704644 [1,0,0,0,0,0|2,0,0]=3 1538 B7R0.1 [13CH3]OCCCCCBr 7a_100000746331_200025704644 [1,0,0,0,0,0|2,0,0]=3 1539 B7R0.1 [13CH3]OCCCCCCl 34a_100000746330_200025704644 [1,0,0,0,0,0|2,0,0]=3 1540 B7R0.1 [13CH3]OCCCCCCl 7a_100000746330_200025704644 [1,0,0,0,0,0|2,0,0]=3 1541 B7R0.1 [13CH3]OCCCCCI 34a_200012148887_200025704644 [1,0,0,0,0,0|2,0,0]=3 1542 B7R0.1 [13CH3]OCCCCCI 7a_200012148887_200025704644 [1,0,0,0,0,0|2,0,0]=3 1543 B7R0.1 [13CH3]OCCCCCN 34a_100000762737_200025704644 [1,0,0,0,0,0|2,0,0]=3 1544 B7R0.1 [13CH3]OCCOCCBr 34a_100000692535_200025704644 [1,0,0,0,0,0|3,0,0]=4 1545 B7R0.1 [13CH3]OCCOCCBr 7a_100000692535_200025704644 [1,0,0,0,0,0|3,0,0]=4 1546 B7R0.1 [13CH3]OCCOCCCl 34a_100011215305_200025704644 [1,0,0,0,0,0|3,0,0]=4 1547 B7R0.1 [13CH3]OCCOCCCl 7a_100011215305_200025704644 [1,0,0,0,0,0|3,0,0]=4 1548 B7R0.1 [13CH3]OCCOCCF 34a_200015357709_200025704644 [1,0,0,0,0,0|3,0,0]=4 1549 B7R0.1 [13CH3]OCCOCCF 7a_200015357709_200025704644 [1,0,0,0,0,0|3,0,0]=4 1550 B7R0.1 [13CH3]OCCOCCI 34a_100012149058_200025704644 [1,0,0,0,0,0|3,0,0]=4 1551 B7R0.1 [13CH3]OCCOCCI 7a_100012149058_200025704644 [1,0,0,0,0,0|3,0,0]=4 1552 B7R0.1 [13CH3]OCCOCCN 34a_100000211614_200025704644 [1,0,0,0,0,0|3,0,0]=4 1553 B7R0.1 [13CH3]SCCCCC#N 62a_100011219923_200025704644 [1,0,0,0,0,0|2,0,1]=4 1554 B7R0.1 [13CH3]SCCCCC#N 62a_200025704644_100000211819 [1,0,0,0,0,0|2,0,1]=4 1555 B7R0.1 [13CH3]SCCCCC=O 62a_100000139335_200025704644 [1,0,0,0,0,0|1,0,0]=2 1556 B7R0.1 [13CH3]SCCCCC=O 62a_200025704644_100000139335 [1,0,0,0,0,0|1,0,0]=2 1557 B7R0.1 [13CH3]SCCCCCF 62a_100000729378_200025704644 [1,0,0,0,0,0|2,0,0]=3 1558 B7R0.1 [13CH3]SCCCCCF 62a_200025704644_100000729378 [1,0,0,0,0,0|2,0,0]=3 1559 B7R0.1 [13CH3]SCCCCCO 62a_100000746330_200025704644 [1,0,0,0,0,0|2,0,0]=3 1560 B7R0.1 [13CH3]SCCCCCO 62a_200025704644_100000746330 [1,0,0,0,0,0|2,0,0]=3 1561 B7R0.1 [13CH3]SCCOCCO 62a_100011215305_200025704644 [1,0,0,0,0,0|3,0,0]=4 1562 B7R0.1 [13CH3]SCCOCCO 62a_200025704644_100011215305 [1,0,0,0,0,0|3,0,0]=4 1563 B7R0.4 C#CCCCC(=O)C 1458a_100000070787_100000731252 [1,0,0,0,0,0|0,0,2]=3 1564 B7R0.4 C#CCCCC(=O)C 1458a_100000690238_200000210301 [1,0,0,0,0,0|0,0,2]=3 1565 B7R0.4 C#CCCCC(=O)[13CH3] 1458a_100000690238_200025704644 [1,0,0,0,0,0|0,0,2]=3 1566 B7R0.4 C#CCCNC(=O)C 11a_100000755551_100015343762 [1,0,0,0,0,0|1,0,2]=4 1567 B7R0.4 C#CCCNC(=O)C 1626a_100000755551_100015343762 [1,0,0,0,0,0|1,0,2]=4 1568 B7R0.4 C#CCCNC(=O)C 240690a_100000755551_100015343762 [1,0,0,0,0,0|1,0,2]=4 1569 B7R0.4 C#CCCNC(=O)C 527a_100000755551_100103153847 [1,0,0,0,0,0|1,0,2]=4 1570 B7R0.4 C#CCOCC(=O)C 1458a_100011251226_200000210301 [1,0,0,0,0,0|1,0,2]=4 1571 B7R0.4 C#CCOCC(=O)C 34a_100000211253_100000184674 [1,0,0,0,0,0|1,0,2]=4 1572 B7R0.4 C#CCOCC(=O)[13CH3] 1458a_100011251226_200025704644 [1,0,0,0,0,0|1,0,2]=4 1573 B7R0.4 C=C(Br)CCOCC 34a_100009813270_100000210202 [1,0,0,0,0,0|2,0,1]=4 1574 B7R0.4 C=C(C)CCNCC 2230a_100015525214_100000730704 [1,0,0,0,0,0|2,0,0]=3 1575 B7R0.4 C=C(C)CCOCC 34a_100000764851_100000210202 [1,0,0,0,0,0|2,0,0]=3 1576 B7R0.4 C=C(C)CCOCC 34a_100121572206_100000730704 [1,0,0,0,0,0|2,0,0]=3 1577 B7R0.4 C=C(C)CCOCF 34a_100000764851_100015361967 [1,0,0,0,0,0|3,0,0]=4 1578 B7R0.4 C=C(C)CCSCC 62a_100000210202_100000730704 [1,0,0,0,0,0|2,0,0]=3 1579 B7R0.4 C=C(C)CCSCC 62a_100000730704_100000210202 [1,0,0,0,0,0|2,0,0]=3 1580 B7R0.4 C=C(C)CCSCF 62a_100000730704_100015361967 [1,0,0,0,0,0|3,0,0]=4 1581 B7R0.4 C=C(C)CCSCF 62a_100015361967_100000730704 [1,0,0,0,0,0|3,0,0]=4 1582 B7R0.4 C=C(C)CNCCF 34a_100000724931_100000748629 [1,0,0,0,0,0|3,0,0]=4 1583 B7R0.4 C=C(C)CNCCO 2230a_100016997473_100000748629 [1,0,0,0,0,0|3,0,0]=4 1584 B7R0.4 C=C(C)CNCCO 34a_100016990907_100000748629 [1,0,0,0,0,0|3,0,0]=4 1585 B7R0.4 C=C(C)COCCBr 34a_100000211926_100000748629 [1,0,0,0,0,0|3,0,0]=4 1586 B7R0.4 C=C(C)COCCC 34a_100000210245_100000210303 [1,0,0,0,0,0|2,0,0]=3 1587 B7R0.4 C=C(C)COCCC 34a_100000210258_100000748629 [1,0,0,0,0,0|2,0,0]=3 1588 B7R0.4 C=C(C)COCCF 34a_100000210245_100011217306 [1,0,0,0,0,0|3,0,0]=4 1589 B7R0.4 C=C(C)COCCN 34a_100000210304_100000748629 [1,0,0,0,0,0|3,0,0]=4 1590 B7R0.4 C=C(C)COCCO 34a_100000210245_100000211926 [1,0,0,0,0,0|3,0,0]=4 1591 B7R0.4 C=C(C)COCSC 34a_100000210245_100011218213 [1,0,0,0,0,0|3,0,0]=4 1592 B7R0.4 C=C(C)CSCCC 62a_100000210303_100000211660 [1,0,0,0,0,0|2,0,0]=3 1593 B7R0.4 C=C(C)CSCCC 62a_100000748629_100000210303 [1,0,0,0,0,0|2,0,0]=3 1594 B7R0.4 C=C(C)CSCCF 62a_100000748629_100011217306 [1,0,0,0,0,0|3,0,0]=4 1595 B7R0.4 C=C(C)CSCCF 62a_100011217306_100000211660 [1,0,0,0,0,0|3,0,0]=4 1596 B7R0.4 C=C(C)CSCCO 62a_100000211926_100000211660 [1,0,0,0,0,0|3,0,0]=4 1597 B7R0.4 C=C(C)CSCCO 62a_100000748629_100000211926 [1,0,0,0,0,0|3,0,0]=4 1598 B7R0.4 C=C(C)CSCOC 62a_100000748629_100000766300 [1,0,0,0,0,0|3,0,0]=4 1599 B7R0.4 C=C(C)CSCOC 62a_100000766300_100000211660 [1,0,0,0,0,0|3,0,0]=4 1600 B7R0.4 C=C(C)CSCSC 62a_100000748629_100011218213 [1,0,0,0,0,0|3,0,0]=4 1601 B7R0.4 C=C(C)CSCSC 62a_100011218213_100000211660 [1,0,0,0,0,0|3,0,0]=4 1602 B7R0.4 C=C(F)COCCC 34a_100000210258_100009893438 [1,0,0,0,0,0|2,0,1]=4 1603 B7R0.4 C=C(F)COCCC 34a_200010262243_100000210303 [1,0,0,0,0,0|2,0,1]=4 1604 B7R0.4 C=C(F)CSCCC 62a_100000042424_100000210303 [1,0,0,0,0,0|2,0,1]=4 1605 B7R0.4 C=C(F)CSCCC 62a_100000210303_100000042424 [1,0,0,0,0,0|2,0,1]=4 1606 B7R0.4 C=CCCCC(=O)C 1458a_100000070787_100000757094 [1,0,0,0,0,0|0,0,2]=3 1607 B7R0.4 C=CCCCC(=O)C 1458a_100000766728_200000210301 [1,0,0,0,0,0|0,0,2]=3 1608 B7R0.4 C=CCCCC(=O)[13CH3] 1458a_100000766728_200025704644 [1,0,0,0,0,0|0,0,2]=3 1609 B7R0.4 C=CCCNC(=O)C 11a_100015191253_100015343762 [1,0,0,0,0,0|1,0,2]=4 1610 B7R0.4 C=CCCNC(=O)C 1626a_100015191253_100015343762 [1,0,0,0,0,0|1,0,2]=4 1611 B7R0.4 C=CCCNC(=O)C 240690a_100015191253_100015343762 [1,0,0,0,0,0|1,0,2]=4 1612 B7R0.4 C=CCCNC(=O)C 527a_100015191253_100103153847 [1,0,0,0,0,0|1,0,2]=4 1613 B7R0.4 C=CCOCC(=O)C 34a_100000211253_100015514636 [1,0,0,0,0,0|1,0,2]=4 1614 B7R0.4 C=CCSCC(=O)C 1458a_100000230395_200000210301 [1,0,0,0,0,0|1,0,2]=4 1615 B7R0.4 C=CCSCC(=O)[13CH3] 1458a_100000230395_200025704644 [1,0,0,0,0,0|1,0,2]=4 1616 B7R0.4 C=COCCC(=O)C 1458a_100000070787_100000039644 [1,0,0,0,0,0|1,0,2]=4 1617 B7R0.4 CC#CCNC(=O)C 11a_100000685387_100015343762 [1,0,0,0,0,0|1,0,2]=4 1618 B7R0.4 CC#CCNC(=O)C 1626a_100000685387_100015343762 [1,0,0,0,0,0|1,0,2]=4 1619 B7R0.4 CC#CCNC(=O)C 527a_100000685387_100103153847 [1,0,0,0,0,0|1,0,2]=4 1620 B7R0.4 CC(=CCCS[13CH3])C 62a_100011217483_200025704644 [1,0,0,0,0,0|2,0,1]=4 1621 B7R0.4 CC(=CCCS[13CH3])C 62a_200025704644_100011217483 [1,0,0,0,0,0|2,0,1]=4 1622 B7R0.4 CC(=O)CC#CCO 1458a_100000070787_200000047223 [1,0,0,0,0,0|1,0,2]=4 1623 B7R0.4 CC(=O)CCCC#N 1458a_100000070787_100000211468 [1,0,0,0,0,0|1,0,1]=3 1624 B7R0.4 CC(=O)CCCC#N 1458a_100000075515_200000210301 [1,0,0,0,0,0|1,0,1]=3 1625 B7R0.4 CC(=O)CCCCF 1458a_100000070787_100000729493 [1,0,0,0,0,0|1,0,0]=2 1626 B7R0.4 CC(=O)CCCCO 1458a_100000070787_100000210776 [1,0,0,0,0,0|1,0,0]=2 1627 B7R0.4 CC(=O)CCCCO 1458a_100000695505_200000210301 [1,0,0,0,0,0|1,0,0]=2 1628 B7R0.4 CC(=O)CCCO[13CH3] 34a_100000759063_200025704644 [1,0,0,0,0,0|1,0,0]=2 1629 B7R0.4 CC(=O)CCCO[13CH3] 7a_100000759063_200025704644 [1,0,0,0,0,0|1,0,0]=2 1630 B7R0.4 CC(=O)CCCS[13CH3] 62a_100011215641_200025704644 [1,0,0,0,0,0|1,0,0]=2 1631 B7R0.4 CC(=O)CCCS[13CH3] 62a_200025704644_100011215641 [1,0,0,0,0,0|1,0,0]=2 1632 B7R0.4 CC(=O)CCN=[N+]=[N-] 1458a_100000688302_200000210301 [1,0,0,0,0,0|3,0,0]=4 1633 B7R0.4 CC(=O)CCOCF 34a_100000759926_100015361967 [1,0,0,0,0,0|2,0,0]=3 1634 B7R0.4 CC(=O)CCOCF 7a_100000759926_100015361967 [1,0,0,0,0,0|2,0,0]=3 1635 B7R0.4 CC(=O)CCSCF 62a_100000053229_100015361967 [1,0,0,0,0,0|2,0,0]=3 1636 B7R0.4 CC(=O)CCSCF 62a_100015361967_100000053229 [1,0,0,0,0,0|2,0,0]=3 1637 B7R0.4 CC(=O)COCC=O 34a_100000211253_200009817547 [1,0,0,0,0,0|2,0,1]=4 1638 B7R0.4 CC(=O)COCCF 34a_100000211253_100011217306 [1,0,0,0,0,0|2,0,0]=3 1639 B7R0.4 CC(=O)COCCO 1458a_100000708028_200000210301 [1,0,0,0,0,0|2,0,0]=3 1640 B7R0.4 CC(=O)COCCO 34a_100000211253_100000211926 [1,0,0,0,0,0|2,0,0]=3 1641 B7R0.4 CC(=O)CSCC#N 1458a_100000150266_200000210301 [1,0,0,0,0,0|2,0,1]=4 1642 B7R0.4 CC(=O)NCCC#N 11a_100000720768_100015343762 [1,0,0,0,0,0|2,0,1]=4 1643 B7R0.4 CC(=O)NCCC#N 1626a_100000720768_100015343762 [1,0,0,0,0,0|2,0,1]=4 1644 B7R0.4 CC(=O)NCCC#N 240690a_100000720768_100015343762 [1,0,0,0,0,0|2,0,1]=4 1645 B7R0.4 CC(=O)NCCC#N 527a_100000720768_100103153847 [1,0,0,0,0,0|2,0,1]=4 1646 B7R0.4 CC(=O)NCCCF 11a_100015189416_100015343762 [1,0,0,0,0,0|2,0,0]=3 1647 B7R0.4 CC(=O)NCCCF 1626a_100015189416_100015343762 [1,0,0,0,0,0|2,0,0]=3 1648 B7R0.4 CC(=O)NCCCF 240690a_100015189416_100015343762 [1,0,0,0,0,0|2,0,0]=3 1649 B7R0.4 CC(=O)NCCCF 527a_100015189416_100103153847 [1,0,0,0,0,0|2,0,0]=3 1650 B7R0.4 CC(=O)NCCCO 240690a_100000182051_100015343762 [1,0,0,0,0,0|2,0,0]=3 1651 B7R0.4 CC(=O)NCCCO 527a_100000182051_100103153847 [1,0,0,0,0,0|2,0,0]=3 1652 B7R0.4 CC(=O)NCCN[13CH3] 2230a_100000209853_200025704644 [1,0,0,0,0,0|2,0,0]=3 1653 B7R0.4 CC(=O)NCCO[13CH3] 34a_100000158858_200025704644 [1,0,0,0,0,0|2,0,0]=3 1654 B7R0.4 CC(=O)NCCS[13CH3] 62a_100000189650_200025704644 [1,0,0,0,0,0|2,0,0]=3 1655 B7R0.4 CC(=O)NCCS[13CH3] 62a_200025704644_100000189650 [1,0,0,0,0,0|2,0,0]=3 1656 B7R0.4 CC(=O)NNCCO 22a_100000210001_100000070787 [1,0,0,0,0,0|3,0,0]=4 1657 B7R0.4 CC(=O)OCCS[13CH3] 62a_100009814007_200025704644 [1,0,0,0,0,0|2,0,0]=3 1658 B7R0.4 CC(=O)OCCS[13CH3] 62a_200025704644_100009814007 [1,0,0,0,0,0|2,0,0]=3 1659 B7R0.4 CC(=O)OCSCF 62a_100000076356_100015361967 [1,0,0,0,0,0|3,0,0]=4 1660 B7R0.4 CC(=O)OCSCF 62a_100015361967_100000076356 [1,0,0,0,0,0|3,0,0]=4 1661 B7R0.4 CC(C)CCCN[13CH3] 2230a_200000737386_200025704644 [1,0,0,0,0,0|2,0,1]=4 1662 B7R0.4 CC(C)CCCN[13CH3] 34a_200000737386_200025704644 [1,0,0,0,0,0|2,0,1]=4 1663 B7R0.4 CC(C)CCCO[13CH3] 34a_100000210774_200025704644 [1,0,0,0,0,0|2,0,1]=4 1664 B7R0.4 CC(C)CCCO[13CH3] 7a_100000210774_200025704644 [1,0,0,0,0,0|2,0,1]=4 1665 B7R0.4 CC(C)CCCS[13CH3] 62a_100011214892_200025704644 [1,0,0,0,0,0|2,0,1]=4 1666 B7R0.4 CC(C)CCCS[13CH3] 62a_200025704644_100011214892 [1,0,0,0,0,0|2,0,1]=4 1667 B7R0.4 CC(O)CCCS[13CH3] 62a_200000718107_200025704644 [1,0,0,0,0,0|1,0,2]=4 1668 B7R0.4 CC(O)CCCS[13CH3] 62a_200025704644_200000718107 [1,0,0,0,0,0|1,0,2]=4 1669 B7R0.4 CC/C=C/CC(=O)C 1458a_100016274230_200000210301 [1,0,0,0,0,0|0,0,2]=3 1670 B7R0.4 CC/C=C/CC(=O)[13CH3] 1458a_100016274230_200025704644 [1,0,0,0,0,0|0,0,2]=3 1671 B7R0.4 CC/C=C\CC(=O)C 1458a_100000070787_100103147603 [1,0,0,0,0,0|0,0,2]=3 1672 B7R0.4 CCC#CCC(=O)C 1458a_100000070787_100009813939 [1,0,0,0,0,0|0,0,2]=3 1673 B7R0.4 CCC=NNC(=O)C 4a_100000189765_100000210100 [1,0,0,0,0,0|2,0,1]=4 1674 B7R0.4 CCCC#CC(=O)C 1458a_200011218047_200000210301 [1,0,0,0,0,0|0,0,2]=3 1675 B7R0.4 CCCC#CC(=O)[13CH3] 1458a_200011218047_200025704644 [1,0,0,0,0,0|0,0,2]=3 1676 B7R0.4 CCCC=CC(=O)C 1458a_100000212230_200000210301 [1,0,0,0,0,0|0,0,2]=3 1677 B7R0.4 CCCC=CC(=O)[13CH3] 1458a_100000212230_200025704644 [1,0,0,0,0,0|0,0,2]=3 1678 B7R0.4 CCCCCC(=O)C 1458a_100000070787_100000210326 [1,0,0,0,0,0|0,0,0]=1 1679 B7R0.4 CCCCCC(=O)C 1458a_100000212188_200000210301 [1,0,0,0,0,0|0,0,0]=1 1680 B7R0.4 CCCCCC(=O)[13CH3] 1458a_100000212188_200025704644 [1,0,0,0,0,0|0,0,0]=1 1681 B7R0.4 CCCCCN(C)C 2230a_100000223495_200000210301 [1,0,0,0,0,0|2,0,0]=3 1682 B7R0.4 CCCCCN(C)C 2230a_100102631434_100000210326 [1,0,0,0,0,0|2,0,0]=3 1683 B7R0.4 CCCCCN(C)C 269982a_100000223495_200000210301 [1,0,0,0,0,0|2,0,0]=3 1684 B7R0.4 CCCCCN(C)C 269982a_100102631434_100000210215 [1,0,0,0,0,0|2,0,0]=3 1685 B7R0.4 CCCCCN(C)[13CH3] 2230a_100000223495_200025704644 [1,0,0,0,0,0|2,0,0]=3 1686 B7R0.4 CCCCCN(C)[13CH3] 269982a_100000223495_200025704644 [1,0,0,0,0,0|2,0,0]=3 1687 B7R0.4 CCCCNC(=O)C 11a_100000102301_100015343762 [1,0,0,0,0,0|1,0,0]=2 1688 B7R0.4 CCCCNC(=O)C 1626a_100000102301_100015343762 [1,0,0,0,0,0|1,0,0]=2 1689 B7R0.4 CCCCNC(=O)C 240690a_100000102301_100015343762 [1,0,0,0,0,0|1,0,0]=2 1690 B7R0.4 CCCCNC(=O)C 527a_100000102301_100103153847 [1,0,0,0,0,0|1,0,0]=2 1691 B7R0.4 CCCCNC(C)C 2230a_100000102301_100000210206 [1,0,0,0,0,0|2,0,1]=4 1692 B7R0.4 CCCCNC(C)C 2230a_100138425928_100000210211 [1,0,0,0,0,0|2,0,1]=4 1693 B7R0.4 CCCCNC(C)C 34a_100138425928_100000210210 [1,0,0,0,0,0|2,0,1]=4 1694 B7R0.4 CCCCNC(C)C 7a_106832991798_100000210206 [1,0,0,0,0,0|2,0,1]=4 1695 B7R0.4 CCCCOC(C)C 34a_100000210227_100000210206 [1,0,0,0,0,0|2,0,1]=4 1696 B7R0.4 CCCCOC(C)C 34a_100000212225_100000210210 [1,0,0,0,0,0|2,0,1]=4 1697 B7R0.4 CCCCOC(C)C 7a_100000210227_100000210206 [1,0,0,0,0,0|2,0,1]=4 1698 B7R0.4 CCCCSC(C)C 62a_100000210206_100000210210 [1,0,0,0,0,0|2,0,1]=4 1699 B7R0.4 CCCCSC(C)C 62a_100000210211_100000210206 [1,0,0,0,0,0|2,0,1]=4 1700 B7R0.4 CCCNCC(=O)N 2230a_100000711301_100000210303 [1,0,0,0,0,0|2,0,0]=3 1701 B7R0.4 CCCNCC(=O)O 269956a_100016091260_100000210207 [1,0,0,0,0,0|2,0,0]=3 1702 B7R0.4 CCCNCC(C)C 2230a_100000210953_100000210303 [1,0,0,0,0,0|2,0,1]=4 1703 B7R0.4 CCCNCC(C)C 270004a_100020643023_100000210432 [1,0,0,0,0,0|2,0,1]=4 1704 B7R0.4 CCCNCC(C)C 34a_100000210953_100000210303 [1,0,0,0,0,0|2,0,1]=4 1705 B7R0.4 CCCNCC(C)O 2230a_100000210904_100000210303 [1,0,0,0,0,0|1,0,2]=4 1706 B7R0.4 CCCNCC(C)O 34a_100000210904_100000210303 [1,0,0,0,0,0|1,0,2]=4 1707 B7R0.4 CCCNNC(=O)C 22a_100000740057_100000070787 [1,0,0,0,0,0|2,0,0]=3 1708 B7R0.4 CCCOCC(=O)C 1458a_100000745993_200000210301 [1,0,0,0,0,0|1,0,0]=2 1709 B7R0.4 CCCOCC(=O)C 34a_100000211253_100000210303 [1,0,0,0,0,0|1,0,0]=2 1710 B7R0.4 CCCOCC(=O)N 34a_100000210258_100000187820 [1,0,0,0,0,0|2,0,0]=3 1711 B7R0.4 CCCOCC(=O)[13CH3] 1458a_100000745993_200025704644 [1,0,0,0,0,0|1,0,0]=2 1712 B7R0.4 CCCOCC(=O)[O-] 34a_100000210258_100020667443 [1,0,0,0,0,0|2,0,0]=3 1713 B7R0.4 CCCOCC(C)Br 34a_100012180447_100000210303 [1,0,0,0,0,0|2,0,1]=4 1714 B7R0.4 CCCOCC(C)C 34a_100000210257_100000210303 [1,0,0,0,0,0|2,0,1]=4 1715 B7R0.4 CCCOCC(C)C 34a_100000210258_100000210624 [1,0,0,0,0,0|2,0,1]=4 1716 B7R0.4 CCCOCC(C)F 34a_100015925927_100000210303 [1,0,0,0,0,0|2,0,1]=4 1717 B7R0.4 CCCOCC(C)O 34a_100000210258_100011218427 [1,0,0,0,0,0|1,0,2]=4 1718 B7R0.4 CCCOC[C@@H](C)Cl 34a_100016084084_100000210303 [1,0,0,0,0,0|2,0,1]=4 1719 B7R0.4 CCCOC[C@@H](C)N 34a_100000737577_100000210303 [1,0,0,0,0,0|2,0,1]=4 1720 B7R0.4 CCCOC[C@@H](C)O 34a_100000210258_100009817552 [1,0,0,0,0,0|1,0,2]=4 1721 B7R0.4 CCCOC[N+](=O)[O-] 34a_100000210258_100000761209 [1,0,0,0,0,0|3,0,0]=4 1722 B7R0.4 CCCSCC(=O)C 1458a_100000217233_200000210301 [1,0,0,0,0,0|1,0,0]=2 1723 B7R0.4 CCCSCC(=O)N 62a_100000210303_100000747473 [1,0,0,0,0,0|2,0,0]=3 1724 B7R0.4 CCCSCC(=O)N 62a_100000747473_100000210303 [1,0,0,0,0,0|2,0,0]=3 1725 B7R0.4 CCCSCC(=O)[13CH3] 1458a_100000217233_200025704644 [1,0,0,0,0,0|1,0,0]=2 1726 B7R0.4 CCCSCC(=O)[O-] 62a_100000210303_100020667443 [1,0,0,0,0,0|2,0,0]=3 1727 B7R0.4 CCCSCC(=O)[O-] 62a_100020667443_100000210303 [1,0,0,0,0,0|2,0,0]=3 1728 B7R0.4 CCCSCC(C)C 62a_100000210303_100000210760 [1,0,0,0,0,0|2,0,1]=4 1729 B7R0.4 CCCSCC(C)C 62a_100000210624_100000210303 [1,0,0,0,0,0|2,0,1]=4 1730 B7R0.4 CCCSCC(C)O 62a_100000210303_100011218427 [1,0,0,0,0,0|1,0,2]=4 1731 B7R0.4 CCCSCC(C)O 62a_100011218427_100000210303 [1,0,0,0,0,0|1,0,2]=4 1732 B7R0.4 CCCSC[C@@H](C)O 62a_100000210303_100009817552 [1,0,0,0,0,0|1,0,2]=4 1733 B7R0.4 CCCSC[C@@H](C)O 62a_100009817552_100000210303 [1,0,0,0,0,0|1,0,2]=4 1734 B7R0.4 CCCSC[N+](=O)[O-] 62a_100000210303_100000761209 [1,0,0,0,0,0|3,0,0]=4 1735 B7R0.4 CCNCC=C(C)C 2230a_100015525214_100000761012 [1,0,0,0,0,0|2,0,1]=4 1736 B7R0.4 CCNCC=C(C)C 34a_100000718196_100000210202 [1,0,0,0,0,0|2,0,1]=4 1737 B7R0.4 CCNCCC(=O)N 2230a_100015525214_100000744528 [1,0,0,0,0,0|2,0,0]=3 1738 B7R0.4 CCNCCC(C)C 2230a_100015525214_100000210312 [1,0,0,0,0,0|2,0,1]=4 1739 B7R0.4 CCNCCC(C)C 269862a_100015525214_100000185833 [1,0,0,0,0,0|2,0,1]=4 1740 B7R0.4 CCNCCC(C)O 2230a_100015525214_100012276601 [1,0,0,0,0,0|1,0,2]=4 1741 B7R0.4 CCNCCC(C)O 2230a_200000755665_100000210202 [1,0,0,0,0,0|1,0,2]=4 1742 B7R0.4 CCNOCC(=O)O 269956a_100000106656_100000210202 [1,0,0,0,0,0|3,0,0]=4 1743 B7R0.4 CCOC=CC(=O)C 1458a_100016266692_200000210301 [1,0,0,0,0,0|1,0,2]=4 1744 B7R0.4 CCOC=CC(=O)[13CH3] 1458a_100016266692_200025704644 [1,0,0,0,0,0|1,0,2]=4 1745 B7R0.4 CCOCC=C(C)C 34a_100000753907_100000210202 [1,0,0,0,0,0|2,0,1]=4 1746 B7R0.4 CCOCC=C(C)C 34a_100121572206_100000761012 [1,0,0,0,0,0|2,0,1]=4 1747 B7R0.4 CCOCCC(=O)C 1458a_100000070787_100011215890 [1,0,0,0,0,0|1,0,0]=2 1748 B7R0.4 CCOCCC(=O)C 1458a_100000749530_200000210301 [1,0,0,0,0,0|1,0,0]=2 1749 B7R0.4 CCOCCC(=O)C 34a_100000759926_100000210202 [1,0,0,0,0,0|1,0,0]=2 1750 B7R0.4 CCOCCC(=O)C 7a_100000759926_100000210202 [1,0,0,0,0,0|1,0,0]=2 1751 B7R0.4 CCOCCC(=O)N 34a_100000757172_100000210202 [1,0,0,0,0,0|2,0,0]=3 1752 B7R0.4 CCOCCC(=O)N 34a_100121572206_100000731001 [1,0,0,0,0,0|2,0,0]=3 1753 B7R0.4 CCOCCC(=O)N 7a_100000757172_100000210202 [1,0,0,0,0,0|2,0,0]=3 1754 B7R0.4 CCOCCC(=O)[13CH3] 1458a_100000749530_200025704644 [1,0,0,0,0,0|1,0,0]=2 1755 B7R0.4 CCOCCC(C)Br 34a_100009893172_100000210202 [1,0,0,0,0,0|2,0,1]=4 1756 B7R0.4 CCOCCC(C)C 34a_100000210254_100000210202 [1,0,0,0,0,0|2,0,1]=4 1757 B7R0.4 CCOCCC(C)C 34a_100121572206_100000210312 [1,0,0,0,0,0|2,0,1]=4 1758 B7R0.4 CCOCCC(C)C 7a_100000210254_100000210202 [1,0,0,0,0,0|2,0,1]=4 1759 B7R0.4 CCOCCC(C)O 34a_100121572206_100012276601 [1,0,0,0,0,0|1,0,2]=4 1760 B7R0.4 CCOCCN(C)C 2230a_100102631434_100011215890 [1,0,0,0,0,0|3,0,0]=4 1761 B7R0.4 CCOCCN(C)C 269982a_100102631434_100011215890 [1,0,0,0,0,0|3,0,0]=4 1762 B7R0.4 CCOCC[C@@H](C)N 34a_100000706166_100000210202 [1,0,0,0,0,0|2,0,1]=4 1763 B7R0.4 CCOCOC(=O)C 34a_100121572206_100009813279 [1,0,0,0,0,0|2,0,0]=3 1764 B7R0.4 CCSCC=C(C)C 62a_100000210202_100000761012 [1,0,0,0,0,0|2,0,1]=4 1765 B7R0.4 CCSCC=C(C)C 62a_100000761012_100000210202 [1,0,0,0,0,0|2,0,1]=4 1766 B7R0.4 CCSCCC(=O)C 1458a_100000070787_100000757381 [1,0,0,0,0,0|1,0,0]=2 1767 B7R0.4 CCSCCC(=O)C 1458a_100000230768_200000210301 [1,0,0,0,0,0|1,0,0]=2 1768 B7R0.4 CCSCCC(=O)C 62a_100000053229_100000210202 [1,0,0,0,0,0|1,0,0]=2 1769 B7R0.4 CCSCCC(=O)C 62a_100000210202_100000053229 [1,0,0,0,0,0|1,0,0]=2 1770 B7R0.4 CCSCCC(=O)N 62a_100000210202_100000744528 [1,0,0,0,0,0|2,0,0]=3 1771 B7R0.4 CCSCCC(=O)N 62a_100000744528_100000210202 [1,0,0,0,0,0|2,0,0]=3 1772 B7R0.4 CCSCCC(=O)[13CH3] 1458a_100000230768_200025704644 [1,0,0,0,0,0|1,0,0]=2 1773 B7R0.4 CCSCCC(C)C 62a_100000210202_100000210312 [1,0,0,0,0,0|2,0,1]=4 1774 B7R0.4 CCSCCC(C)C 62a_100000210312_100000210202 [1,0,0,0,0,0|2,0,1]=4 1775 B7R0.4 CCSCCC(C)O 62a_100000210202_100012276601 [1,0,0,0,0,0|1,0,2]=4 1776 B7R0.4 CCSCCC(C)O 62a_100012276601_100000210202 [1,0,0,0,0,0|1,0,2]=4 1777 B7R0.4 CCSCCN(C)C 2230a_100102631434_100000757381 [1,0,0,0,0,0|3,0,0]=4 1778 B7R0.4 CCSCCN(C)C 269982a_100102631434_100000757381 [1,0,0,0,0,0|3,0,0]=4 1779 B7R0.4 CCSCCN(C)C 62a_100000210202_100000755713 [1,0,0,0,0,0|3,0,0]=4 1780 B7R0.4 CCSCOC(=O)C 62a_100000076356_100000210202 [1,0,0,0,0,0|2,0,0]=3 1781 B7R0.4 CCSCOC(=O)C 62a_100000210202_100000076356 [1,0,0,0,0,0|2,0,0]=3 1782 B7R0.4 CN(C)CCCCF 2230a_100102631434_100000729493 [1,0,0,0,0,0|3,0,0]=4 1783 B7R0.4 CN(C)CCCCF 269982a_100102631434_100000729493 [1,0,0,0,0,0|3,0,0]=4 1784 B7R0.4 CN(C)CCCCO 2230a_100000717598_200000210301 [1,0,0,0,0,0|3,0,0]=4 1785 B7R0.4 CN(C)CCCCO 2230a_100102631434_100000210776 [1,0,0,0,0,0|3,0,0]=4 1786 B7R0.4 CN(C)CCCCO 269982a_100000717598_200000210301 [1,0,0,0,0,0|3,0,0]=4 1787 B7R0.4 CN(C)CCCCO 269982a_100102631434_100000210776 [1,0,0,0,0,0|3,0,0]=4 1788 B7R0.4 CN(C)CCCS[13CH3] 62a_200025704644_100000757444 [1,0,0,0,0,0|3,0,0]=4 1789 B7R0.4 CN([13CH3])CCCCO 2230a_100000717598_200025704644 [1,0,0,0,0,0|3,0,0]=4 1790 B7R0.4 CN([13CH3])CCCCO 269982a_100000717598_200025704644 [1,0,0,0,0,0|3,0,0]=4 1791 B7R0.4 CNCCC=C(C)C 2230a_106832991635_100011217483 [1,0,0,0,0,0|2,0,1]=4 1792 B7R0.4 CNCCC=C(C)C 34a_100102657272_100011217483 [1,0,0,0,0,0|2,0,1]=4 1793 B7R0.4 CNCCC=C(C)C 7a_106832991635_100011217483 [1,0,0,0,0,0|2,0,1]=4 1794 B7R0.4 CNCCCC(=O)C 34a_100102657272_100000685027 [1,0,0,0,0,0|1,0,0]=2 1795 B7R0.4 CNCCCC(=O)C 7a_106832991635_100011215641 [1,0,0,0,0,0|1,0,0]=2 1796 B7R0.4 CNCCCC(=O)N 34a_100000739312_200000210301 [1,0,0,0,0,0|2,0,0]=3 1797 B7R0.4 CNCCCC(=O)N 34a_100102657272_100102525003 [1,0,0,0,0,0|2,0,0]=3 1798 B7R0.4 CNCCCC(=O)N 7a_106832991635_100102525003 [1,0,0,0,0,0|2,0,0]=3 1799 B7R0.4 CNCCCC(C)C 2230a_106832991635_100011214892 [1,0,0,0,0,0|2,0,1]=4 1800 B7R0.4 CNCCCC(C)C 2230a_200000737386_200000210301 [1,0,0,0,0,0|2,0,1]=4 1801 B7R0.4 CNCCCC(C)C 34a_100102657272_100011214892 [1,0,0,0,0,0|2,0,1]=4 1802 B7R0.4 CNCCCC(C)C 34a_200000737386_200000210301 [1,0,0,0,0,0|2,0,1]=4 1803 B7R0.4 CNCCCC(C)C 7a_106832991635_100011214892 [1,0,0,0,0,0|2,0,1]=4 1804 B7R0.4 CNCCCC(C)O 2230a_106832991635_200000718107 [1,0,0,0,0,0|1,0,2]=4 1805 B7R0.4 CNCCCC(C)O 34a_100102657272_200000718107 [1,0,0,0,0,0|1,0,2]=4 1806 B7R0.4 CNCCCC(C)O 7a_106832991635_200000718107 [1,0,0,0,0,0|1,0,2]=4 1807 B7R0.4 CNCCCN(C)C 7a_106832991635_100000757444 [1,0,0,0,0,0|3,0,0]=4 1808 B7R0.4 CNCCCS(=O)C 2230a_200000753449_200000210301 [1,0,0,0,0,0|2,0,0]=3 1809 B7R0.4 CNCCNC(=O)C 2230a_100000209853_200000210301 [1,0,0,0,0,0|2,0,0]=3 1810 B7R0.4 CNCCNC(=O)C 2230a_106832991635_100000189650 [1,0,0,0,0,0|2,0,0]=3 1811 B7R0.4 CNCCNC(=O)C 7a_106832991635_100000189650 [1,0,0,0,0,0|2,0,0]=3 1812 B7R0.4 CNCCNC(=O)N 2230a_106832991635_200000034859 [1,0,0,0,0,0|3,0,0]=4 1813 B7R0.4 CNCCNC(=O)N 34a_100020590234_200000210301 [1,0,0,0,0,0|3,0,0]=4 1814 B7R0.4 CNCCNC(=O)N 7a_106832991635_200000034859 [1,0,0,0,0,0|3,0,0]=4 1815 B7R0.4 CNCCOC(=O)C 34a_100102657272_100009814007 [1,0,0,0,0,0|2,0,0]=3 1816 B7R0.4 CNCCOC(=O)C 7a_106832991635_100009814007 [1,0,0,0,0,0|2,0,0]=3 1817 B7R0.4 CNCCOC(=O)N 34a_100102657272_200011214921 [1,0,0,0,0,0|3,0,0]=4 1818 B7R0.4 CNCCOC(=O)N 7a_106832991635_200011214921 [1,0,0,0,0,0|3,0,0]=4 1819 B7R0.4 COCC=CC(=O)C 1458a_100016285016_200000210301 [1,0,0,0,0,0|1,0,2]=4 1820 B7R0.4 COCC=CC(=O)[13CH3] 1458a_100016285016_200025704644 [1,0,0,0,0,0|1,0,2]=4 1821 B7R0.4 COCCC=C(C)C 34a_100138415774_100011217483 [1,0,0,0,0,0|2,0,1]=4 1822 B7R0.4 COCCCC(=O)C 1458a_100000070787_100000740836 [1,0,0,0,0,0|1,0,0]=2 1823 B7R0.4 COCCCC(=O)C 1458a_100000741012_200000210301 [1,0,0,0,0,0|1,0,0]=2 1824 B7R0.4 COCCCC(=O)C 34a_100000759063_200000210301 [1,0,0,0,0,0|1,0,0]=2 1825 B7R0.4 COCCCC(=O)C 34a_100138415774_100000685027 [1,0,0,0,0,0|1,0,0]=2 1826 B7R0.4 COCCCC(=O)C 7a_100000759063_200000210301 [1,0,0,0,0,0|1,0,0]=2 1827 B7R0.4 COCCCC(=O)N 34a_100138415774_100102525003 [1,0,0,0,0,0|2,0,0]=3 1828 B7R0.4 COCCCC(=O)[13CH3] 1458a_100000741012_200025704644 [1,0,0,0,0,0|1,0,0]=2 1829 B7R0.4 COCCCC(C)C 34a_100000210774_200000210301 [1,0,0,0,0,0|2,0,1]=4 1830 B7R0.4 COCCCC(C)C 34a_100138415774_100011214892 [1,0,0,0,0,0|2,0,1]=4 1831 B7R0.4 COCCCC(C)C 7a_100000210774_200000210301 [1,0,0,0,0,0|2,0,1]=4 1832 B7R0.4 COCCCC(C)O 34a_100138415774_200000718107 [1,0,0,0,0,0|1,0,2]=4 1833 B7R0.4 COCCCN(C)C 2230a_100000224831_200000210301 [1,0,0,0,0,0|3,0,0]=4 1834 B7R0.4 COCCCN(C)C 2230a_100102631434_100000740836 [1,0,0,0,0,0|3,0,0]=4 1835 B7R0.4 COCCCN(C)C 269982a_100000224831_200000210301 [1,0,0,0,0,0|3,0,0]=4 1836 B7R0.4 COCCCN(C)C 269982a_100102631434_100000740836 [1,0,0,0,0,0|3,0,0]=4 1837 B7R0.4 COCCCN(C)[13CH3] 2230a_100000224831_200025704644 [1,0,0,0,0,0|3,0,0]=4 1838 B7R0.4 COCCCN(C)[13CH3] 269982a_100000224831_200025704644 [1,0,0,0,0,0|3,0,0]=4 1839 B7R0.4 COCCC[N+](=O)[O-] 34a_200000037920_200000210301 [1,0,0,0,0,0|3,0,0]=4 1840 B7R0.4 COCCNC(=O)C 1626a_100000209980_100015343762 [1,0,0,0,0,0|2,0,0]=3 1841 B7R0.4 COCCNC(=O)C 240690a_100000209980_100015343762 [1,0,0,0,0,0|2,0,0]=3 1842 B7R0.4 COCCNC(=O)C 34a_100000158858_200000210301 [1,0,0,0,0,0|2,0,0]=3 1843 B7R0.4 COCCNC(=O)C 527a_100000209980_100103153847 [1,0,0,0,0,0|2,0,0]=3 1844 B7R0.4 COCCNC(=O)N 34a_100000181757_200000210301 [1,0,0,0,0,0|3,0,0]=4 1845 B7R0.4 COCCOC(=O)C 34a_100138415774_100009814007 [1,0,0,0,0,0|2,0,0]=3 1846 B7R0.4 COCCOC(=O)N 34a_100138415774_200011214921 [1,0,0,0,0,0|3,0,0]=4 1847 B7R0.4 COCCOC(=O)N 7a_100000766696_200000210301 [1,0,0,0,0,0|3,0,0]=4 1848 B7R0.4 COCNCC(=O)N 2230a_100000711301_100000766300 [1,0,0,0,0,0|3,0,0]=4 1849 B7R0.4 COCNCC(=O)O 269956a_100016091260_100000766300 [1,0,0,0,0,0|3,0,0]=4 1850 B7R0.4 COCSCC(=O)N 62a_100000747473_100000766300 [1,0,0,0,0,0|3,0,0]=4 1851 B7R0.4 COCSCC(=O)N 62a_100000766300_100000747473 [1,0,0,0,0,0|3,0,0]=4 1852 B7R0.4 COCSCC(=O)[O-] 62a_100000766300_100020667443 [1,0,0,0,0,0|3,0,0]=4 1853 B7R0.4 COCSCC(=O)[O-] 62a_100020667443_100000766300 [1,0,0,0,0,0|3,0,0]=4 1854 B7R0.4 CS(=O)CCCN[13CH3] 2230a_200000753449_200025704644 [1,0,0,0,0,0|2,0,0]=3 1855 B7R0.4 CSCCC=C(C)C 62a_100011217483_200000210301 [1,0,0,0,0,0|2,0,1]=4 1856 B7R0.4 CSCCC=C(C)C 62a_200000210301_100011217483 [1,0,0,0,0,0|2,0,1]=4 1857 B7R0.4 CSCCCC(=O)C 1458a_100000173376_200000210301 [1,0,0,0,0,0|1,0,0]=2 1858 B7R0.4 CSCCCC(=O)C 62a_100011215641_200000210301 [1,0,0,0,0,0|1,0,0]=2 1859 B7R0.4 CSCCCC(=O)C 62a_200000210301_100011215641 [1,0,0,0,0,0|1,0,0]=2 1860 B7R0.4 CSCCCC(=O)N 62a_100102525003_200000210301 [1,0,0,0,0,0|2,0,0]=3 1861 B7R0.4 CSCCCC(=O)N 62a_200000210301_100102525003 [1,0,0,0,0,0|2,0,0]=3 1862 B7R0.4 CSCCCC(=O)[13CH3] 1458a_100000173376_200025704644 [1,0,0,0,0,0|1,0,0]=2 1863 B7R0.4 CSCCCC(C)C 62a_100011214892_200000210301 [1,0,0,0,0,0|2,0,1]=4 1864 B7R0.4 CSCCCC(C)C 62a_200000210301_100011214892 [1,0,0,0,0,0|2,0,1]=4 1865 B7R0.4 CSCCCC(C)O 62a_200000210301_200000718107 [1,0,0,0,0,0|1,0,2]=4 1866 B7R0.4 CSCCCC(C)O 62a_200000718107_200000210301 [1,0,0,0,0,0|1,0,2]=4 1867 B7R0.4 CSCCCN(C)C 62a_200000210301_100000757444 [1,0,0,0,0,0|3,0,0]=4 1868 B7R0.4 CSCCNC(=O)C 11a_100020590264_100015343762 [1,0,0,0,0,0|2,0,0]=3 1869 B7R0.4 CSCCNC(=O)C 1626a_100020590264_100015343762 [1,0,0,0,0,0|2,0,0]=3 1870 B7R0.4 CSCCNC(=O)C 240690a_100020590264_100015343762 [1,0,0,0,0,0|2,0,0]=3 1871 B7R0.4 CSCCNC(=O)C 527a_100020590264_100103153847 [1,0,0,0,0,0|2,0,0]=3 1872 B7R0.4 CSCCNC(=O)C 62a_100000189650_200000210301 [1,0,0,0,0,0|2,0,0]=3 1873 B7R0.4 CSCCNC(=O)C 62a_200000210301_100000189650 [1,0,0,0,0,0|2,0,0]=3 1874 B7R0.4 CSCCNC(=O)N 62a_200000034859_200000210301 [1,0,0,0,0,0|3,0,0]=4 1875 B7R0.4 CSCCNC(=O)N 62a_200000210301_200000034859 [1,0,0,0,0,0|3,0,0]=4 1876 B7R0.4 CSCCOC(=O)C 62a_100009814007_200000210301 [1,0,0,0,0,0|2,0,0]=3 1877 B7R0.4 CSCCOC(=O)C 62a_200000210301_100009814007 [1,0,0,0,0,0|2,0,0]=3 1878 B7R0.4 CSCCOC(=O)N 62a_200000210301_200011214921 [1,0,0,0,0,0|3,0,0]=4 1879 B7R0.4 CSCCOC(=O)N 62a_200011214921_200000210301 [1,0,0,0,0,0|3,0,0]=4 1880 B7R0.4 CSCNCC(=O)N 2230a_100000711301_100011218213 [1,0,0,0,0,0|3,0,0]=4 1881 B7R0.4 CSCNCC(=O)O 269956a_100016091260_100011218213 [1,0,0,0,0,0|3,0,0]=4 1882 B7R0.4 CSCOCC(=O)C 34a_100000211253_100011218213 [1,0,0,0,0,0|2,0,0]=3 1883 B7R0.4 CSCSCC(=O)N 62a_100000747473_100011218213 [1,0,0,0,0,0|3,0,0]=4 1884 B7R0.4 CSCSCC(=O)N 62a_100011218213_100000747473 [1,0,0,0,0,0|3,0,0]=4 1885 B7R0.4 CSCSCC(=O)[O-] 62a_100011218213_100020667443 [1,0,0,0,0,0|3,0,0]=4 1886 B7R0.4 CSCSCC(=O)[O-] 62a_100020667443_100011218213 [1,0,0,0,0,0|3,0,0]=4 1887 B7R0.4 NC(=O)CCOCF 34a_100000757172_100015361967 [1,0,0,0,0,0|3,0,0]=4 1888 B7R0.4 NC(=O)CCOCF 7a_100000757172_100015361967 [1,0,0,0,0,0|3,0,0]=4 1889 B7R0.4 NC(=O)CCSCF 62a_100000744528_100015361967 [1,0,0,0,0,0|3,0,0]=4 1890 B7R0.4 NC(=O)CCSCF 62a_100015361967_100000744528 [1,0,0,0,0,0|3,0,0]=4 1891 B7R0.4 NC(=O)CNCCF 2230a_100000711301_100011217306 [1,0,0,0,0,0|3,0,0]=4 1892 B7R0.4 NC(=O)CNCCF 34a_100000724931_100000187820 [1,0,0,0,0,0|3,0,0]=4 1893 B7R0.4 NC(=O)CNCCO 2230a_100000711301_100000211926 [1,0,0,0,0,0|3,0,0]=4 1894 B7R0.4 NC(=O)CNCCO 2230a_100016997473_100000747473 [1,0,0,0,0,0|3,0,0]=4 1895 B7R0.4 NC(=O)CNCCO 34a_100016990907_100000187820 [1,0,0,0,0,0|3,0,0]=4 1896 B7R0.4 NC(=O)COCCBr 34a_100000211926_100000187820 [1,0,0,0,0,0|3,0,0]=4 1897 B7R0.4 NC(=O)CSCCF 62a_100000747473_100011217306 [1,0,0,0,0,0|3,0,0]=4 1898 B7R0.4 NC(=O)CSCCF 62a_100011217306_100000747473 [1,0,0,0,0,0|3,0,0]=4 1899 B7R0.4 NC(=O)CSCCO 62a_100000211926_100000747473 [1,0,0,0,0,0|3,0,0]=4 1900 B7R0.4 NC(=O)CSCCO 62a_100000747473_100000211926 [1,0,0,0,0,0|3,0,0]=4 1901 B7R0.4 NCCOCC(=O)N 34a_100000210304_100000187820 [1,0,0,0,0,0|3,0,0]=4 1902 B7R0.4 NCCOCC(=O)[O-] 34a_100000210304_100020667443 [1,0,0,0,0,0|3,0,0]=4 1903 B7R0.4 O=C(O)CNCCF 269956a_100016091260_100011217306 [1,0,0,0,0,0|3,0,0]=4 1904 B7R0.4 O=C(O)CNCCO 269956a_100016091260_100000211926 [1,0,0,0,0,0|3,0,0]=4 1905 B7R0.4 O=C([O-])CNCCF 34a_100000724931_100020667443 [1,0,0,0,0,0|3,0,0]=4 1906 B7R0.4 O=C([O-])CNCCO 34a_100016990907_100020667443 [1,0,0,0,0,0|3,0,0]=4 1907 B7R0.4 O=C([O-])COCCBr 34a_100000211926_100020667443 [1,0,0,0,0,0|3,0,0]=4 1908 B7R0.4 O=C([O-])CSCCF 62a_100011217306_100020667443 [1,0,0,0,0,0|3,0,0]=4 1909 B7R0.4 O=C([O-])CSCCF 62a_100020667443_100011217306 [1,0,0,0,0,0|3,0,0]=4 1910 B7R0.4 O=C([O-])CSCCO 62a_100000211926_100020667443 [1,0,0,0,0,0|3,0,0]=4 1911 B7R0.4 O=C([O-])CSCCO 62a_100020667443_100000211926 [1,0,0,0,0,0|3,0,0]=4 1912 B7R0.4 [13CH3]C(=O)CCCC#N 1458a_100000075515_200025704644 [1,0,0,0,0,0|1,0,1]=3 1913 B7R0.4 [13CH3]C(=O)CCCCO 1458a_100000695505_200025704644 [1,0,0,0,0,0|1,0,0]=2 1914 B7R0.4 [13CH3]C(=O)CCN=[N+]=[N-] 1458a_100000688302_200025704644 [1,0,0,0,0,0|3,0,0]=4 1915 B7R0.4 [13CH3]C(=O)COCCO 1458a_100000708028_200025704644 [1,0,0,0,0,0|2,0,0]=3 1916 B7R0.4 [13CH3]C(=O)CSCC#N 1458a_100000150266_200025704644 [1,0,0,0,0,0|2,0,1]=4 1917 B7R0.4 [13CH3]NCCCC(=O)N 34a_100000739312_200025704644 [1,0,0,0,0,0|2,0,0]=3 1918 B7R0.4 [13CH3]NCCNC(=O)N 34a_100020590234_200025704644 [1,0,0,0,0,0|3,0,0]=4 1919 B7R0.4 [13CH3]OCCC[N+](=O)[O-] 34a_200000037920_200025704644 [1,0,0,0,0,0|3,0,0]=4 1920 B7R0.4 [13CH3]OCCNC(=O)N 34a_100000181757_200025704644 [1,0,0,0,0,0|3,0,0]=4 1921 B7R0.4 [13CH3]OCCOC(=O)N 7a_100000766696_200025704644 [1,0,0,0,0,0|3,0,0]=4 1922 B7R0.4 [13CH3]SCCCC(=O)N 62a_100102525003_200025704644 [1,0,0,0,0,0|2,0,0]=3 1923 B7R0.4 [13CH3]SCCCC(=O)N 62a_200025704644_100102525003 [1,0,0,0,0,0|2,0,0]=3 1924 B7R0.4 [13CH3]SCCNC(=O)N 62a_200000034859_200025704644 [1,0,0,0,0,0|3,0,0]=4 1925 B7R0.4 [13CH3]SCCNC(=O)N 62a_200025704644_200000034859 [1,0,0,0,0,0|3,0,0]=4 1926 B7R0.4 [13CH3]SCCOC(=O)N 62a_200011214921_200025704644 [1,0,0,0,0,0|3,0,0]=4 1927 B7R0.4 [13CH3]SCCOC(=O)N 62a_200025704644_200011214921 [1,0,0,0,0,0|3,0,0]=4 1928 B9R0.1 C#CC(=O)CCCC(=O)C 1458a_100000211873_100011215641 [0,1,0,0,0,0|0,0,3]=4 1929 B9R0.1 C#CC(C)OCCC(=O)C 34a_100000759926_200000035995 [0,1,0,0,0,0|1,0,2]=4 1930 B9R0.1 C#CC(C)SCCC(=O)C 62a_200000035995_100000053229 [0,1,0,0,0,0|1,0,2]=4 1931 B9R0.1 C#C[C@@H](C)OCCC(=O)C 7a_100009815206_100000053229 [0,1,0,0,0,0|1,0,2]=4 1932 B9R0.1 C=C(Br)CCOC(C)CC 34a_100009813270_100011215416 [0,1,0,0,0,0|2,0,1]=4 1933 B9R0.1 C=C(C)CCNC(C)CC 2230a_100000209981_100000730704 [0,1,0,0,0,0|2,0,0]=3 1934 B9R0.1 C=C(C)CCN[C@H](C)CO 2230a_100000737577_100000730704 [0,1,0,0,0,0|3,0,0]=4 1935 B9R0.1 C=C(C)CCOC(C)CC 34a_100000764851_100011215416 [0,1,0,0,0,0|2,0,0]=3 1936 B9R0.1 C=C(C)CCOC(C)CC 7a_100000210228_100000730704 [0,1,0,0,0,0|2,0,0]=3 1937 B9R0.1 C=C(C)CCOC(C)CF 34a_100016041109_100000730704 [0,1,0,0,0,0|3,0,0]=4 1938 B9R0.1 C=C(C)CCOC(C)CF 7a_100016041109_100000730704 [0,1,0,0,0,0|3,0,0]=4 1939 B9R0.1 C=C(C)CCOC(C)CN 34a_100000210904_100000730704 [0,1,0,0,0,0|3,0,0]=4 1940 B9R0.1 C=C(C)CCOC(C)CO 34a_100000764851_100012180447 [0,1,0,0,0,0|3,0,0]=4 1941 B9R0.1 C=C(C)CCSC(C)CC 62a_100000730704_100000758301 [0,1,0,0,0,0|2,0,0]=3 1942 B9R0.1 C=C(C)CCSC(C)CC 62a_100000758301_100000730704 [0,1,0,0,0,0|2,0,0]=3 1943 B9R0.1 C=C(C)CCSC(C)CO 62a_100012180447_100000730704 [0,1,0,0,0,0|3,0,0]=4 1944 B9R0.1 C=C(C)CCSC(C)OC 62a_100000730704_100009879195 [0,1,0,0,0,0|3,0,0]=4 1945 B9R0.1 C=C(C)CCSC(C)OC 62a_100009879195_100000730704 [0,1,0,0,0,0|3,0,0]=4 1946 B9R0.1 C=C(C)CCS[C@H](C)CO 62a_100000730704_100016084084 [0,1,0,0,0,0|3,0,0]=4 1947 B9R0.1 C=C(C)CCS[C@H](C)CO 62a_100016084084_100000730704 [0,1,0,0,0,0|3,0,0]=4 1948 B9R0.1 C=C(C)CNCC(C)CC 2230a_100020588543_100000748629 [0,1,0,0,0,0|2,0,0]=3 1949 B9R0.1 C=C(C)CNCC(C)CO 34a_100000744482_100000748629 [0,1,0,0,0,0|3,0,0]=4 1950 B9R0.1 C=C(C)CNCC(O)CC 2230a_100011218483_100000748629 [0,1,0,0,0,0|2,0,0]=3 1951 B9R0.1 C=C(C)CNC[C@@H](C)OC 2230a_100020591295_100000748629 [0,1,0,0,0,0|3,0,0]=4 1952 B9R0.1 C=C(C)CNC[C@@H](F)CO 34a_100015665980_100000748629 [0,1,0,0,0,0|3,0,0]=4 1953 B9R0.1 C=C(C)CNC[C@H](O)CO 2230a_100020644852_100000748629 [0,1,0,0,0,0|3,0,0]=4 1954 B9R0.1 C=C(C)COCC(=O)CC 34a_100000725409_100000748629 [0,1,0,0,0,0|2,0,1]=4 1955 B9R0.1 C=C(C)COCC(C)CC 34a_100000210245_100000748023 [0,1,0,0,0,0|2,0,0]=3 1956 B9R0.1 C=C(C)COCC(C)CN 34a_100000744482_100000748629 [0,1,0,0,0,0|3,0,0]=4 1957 B9R0.1 C=C(C)COCC(C)OC 34a_100000690652_100000748629 [0,1,0,0,0,0|3,0,0]=4 1958 B9R0.1 C=C(C)COCC(Cl)CCl 34a_100000033668_100000748629 [0,1,0,0,0,0|3,0,0]=4 1959 B9R0.1 C=C(C)COCC(O)CC 34a_100000210245_100011218378 [0,1,0,0,0,0|2,0,0]=3 1960 B9R0.1 C=C(C)COCC(O)CO 34a_100000210245_100011219619 [0,1,0,0,0,0|3,0,0]=4 1961 B9R0.1 C=C(C)COC[C@@H](C)CC 34a_100000210245_100009816398 [0,1,0,0,0,0|2,0,0]=3 1962 B9R0.1 C=C(C)COC[C@@H](C)CC 7a_100009816381_100000748629 [0,1,0,0,0,0|2,0,0]=3 1963 B9R0.1 C=C(C)COC[C@@H](C)CO 34a_100000210245_100000059175 [0,1,0,0,0,0|3,0,0]=4 1964 B9R0.1 C=C(C)COC[C@@H](O)CF 34a_100000210245_100015614560 [0,1,0,0,0,0|3,0,0]=4 1965 B9R0.1 C=C(C)COC[C@@H](O)CO 34a_100000210245_100009815848 [0,1,0,0,0,0|3,0,0]=4 1966 B9R0.1 C=C(C)COC[C@H](F)CN 34a_100015665980_100000748629 [0,1,0,0,0,0|3,0,0]=4 1967 B9R0.1 C=C(C)CSCC(=O)CC 62a_100000747405_100000211660 [0,1,0,0,0,0|2,0,1]=4 1968 B9R0.1 C=C(C)CSCC(=O)CC 62a_100000748629_100000747405 [0,1,0,0,0,0|2,0,1]=4 1969 B9R0.1 C=C(C)CSCC(C)CC 62a_100000748023_100000211660 [0,1,0,0,0,0|2,0,0]=3 1970 B9R0.1 C=C(C)CSCC(C)CC 62a_100000748629_100000748023 [0,1,0,0,0,0|2,0,0]=3 1971 B9R0.1 C=C(C)CSCC(O)CC 62a_100000748629_100011218378 [0,1,0,0,0,0|2,0,0]=3 1972 B9R0.1 C=C(C)CSCC(O)CC 62a_100011218378_100000211660 [0,1,0,0,0,0|2,0,0]=3 1973 B9R0.1 C=C(C)CSCC(O)CO 62a_100000748629_100011219619 [0,1,0,0,0,0|3,0,0]=4 1974 B9R0.1 C=C(C)CSCC(O)CO 62a_100011219619_100000211660 [0,1,0,0,0,0|3,0,0]=4 1975 B9R0.1 C=C(C)CSC[C@@H](C)CC 62a_100000748629_100009816398 [0,1,0,0,0,0|2,0,0]=3 1976 B9R0.1 C=C(C)CSC[C@@H](C)CC 62a_100009816398_100000211660 [0,1,0,0,0,0|2,0,0]=3 1977 B9R0.1 C=C(C)CSC[C@@H](C)CO 62a_100000059175_100000211660 [0,1,0,0,0,0|3,0,0]=4 1978 B9R0.1 C=C(C)CSC[C@@H](C)CO 62a_100000748629_100000059175 [0,1,0,0,0,0|3,0,0]=4 1979 B9R0.1 C=C(C)CSC[C@@H](O)CF 62a_100000748629_100015614560 [0,1,0,0,0,0|3,0,0]=4 1980 B9R0.1 C=C(C)CSC[C@@H](O)CF 62a_100015614560_100000211660 [0,1,0,0,0,0|3,0,0]=4 1981 B9R0.1 C=C(C)CSC[C@@H](O)CO 62a_100000748629_100009815848 [0,1,0,0,0,0|3,0,0]=4 1982 B9R0.1 C=C(C)CSC[C@@H](O)CO 62a_100009815848_100000211660 [0,1,0,0,0,0|3,0,0]=4 1983 B9R0.1 C=C(F)CNCC(C)CC 2230a_100020588543_100009893438 [0,1,0,0,0,0|2,0,1]=4 1984 B9R0.1 C=C(F)CNCC(O)CC 2230a_100011218483_100009893438 [0,1,0,0,0,0|2,0,1]=4 1985 B9R0.1 C=C(F)COCC(C)CC 34a_200010262243_100000748023 [0,1,0,0,0,0|2,0,1]=4 1986 B9R0.1 C=C(F)COCC(O)CC 34a_200010262243_100011218378 [0,1,0,0,0,0|2,0,1]=4 1987 B9R0.1 C=C(F)COC[C@@H](C)CC 34a_200010262243_100009816398 [0,1,0,0,0,0|2,0,1]=4 1988 B9R0.1 C=C(F)COC[C@@H](C)CC 7a_100009816381_100000042424 [0,1,0,0,0,0|2,0,1]=4 1989 B9R0.1 C=C(F)CSCC(C)CC 62a_100000042424_100000748023 [0,1,0,0,0,0|2,0,1]=4 1990 B9R0.1 C=C(F)CSCC(C)CC 62a_100000748023_100000042424 [0,1,0,0,0,0|2,0,1]=4 1991 B9R0.1 C=C(F)CSCC(O)CC 62a_100000042424_100011218378 [0,1,0,0,0,0|2,0,1]=4 1992 B9R0.1 C=C(F)CSCC(O)CC 62a_100011218378_100000042424 [0,1,0,0,0,0|2,0,1]=4 1993 B9R0.1 C=C(F)CSC[C@@H](C)CC 62a_100000042424_100009816398 [0,1,0,0,0,0|2,0,1]=4 1994 B9R0.1 C=C(F)CSC[C@@H](C)CC 62a_100009816398_100000042424 [0,1,0,0,0,0|2,0,1]=4 1995 B9R0.1 C=CC(=O)CCCC(=O)C 1458a_100000185746_100011215641 [0,1,0,0,0,0|0,0,3]=4 1996 B9R0.1 C=CC(C)SCCC(=O)C 62a_100011215867_100000053229 [0,1,0,0,0,0|1,0,2]=4 1997 B9R0.1 C=CC(O)COCC(=O)C 34a_100000211253_100000730141 [0,1,0,0,0,0|1,0,2]=4 1998 B9R0.1 CC(=CCCC(C)O[13CH3])C 34a_100102619829_200025704644 [0,1,0,0,0,0|2,0,1]=4 1999 B9R0.1 CC(=CCCC(C)O[13CH3])C 7a_100102619829_200025704644 [0,1,0,0,0,0|2,0,1]=4 2000 B9R0.1 CC(=O)CCCC(=O)CO 1458a_100000210174_100011215641 [0,1,0,0,0,0|1,0,1]=3 2001 B9R0.1 CC(=O)CCCN(C)N=O 1458a_200000076914_200000210301 [0,1,0,0,0,0|3,0,0]=4 2002 B9R0.1 CC(=O)CCOC(C)C#N 7a_100000759926_100000703298 [0,1,0,0,0,0|2,0,1]=4 2003 B9R0.1 CC(=O)CCOC(C)CF 7a_100016041109_100000053229 [0,1,0,0,0,0|2,0,0]=3 2004 B9R0.1 CC(=O)CCOC(C)CO 34a_100000759926_100012180447 [0,1,0,0,0,0|2,0,0]=3 2005 B9R0.1 CC(=O)CCOC(C)CO 7a_100000759926_100012180447 [0,1,0,0,0,0|2,0,0]=3 2006 B9R0.1 CC(=O)CCSC(C)C#N 62a_100000053229_100000703298 [0,1,0,0,0,0|2,0,1]=4 2007 B9R0.1 CC(=O)CCSC(C)C#N 62a_100000703298_100000053229 [0,1,0,0,0,0|2,0,1]=4 2008 B9R0.1 CC(=O)CCSC(C)CO 62a_100012180447_100000053229 [0,1,0,0,0,0|2,0,0]=3 2009 B9R0.1 CC(=O)CCSC(F)C#N 62a_100000053229_200000117898 [0,1,0,0,0,0|2,0,1]=4 2010 B9R0.1 CC(=O)CCSC(F)C#N 62a_200000117898_100000053229 [0,1,0,0,0,0|2,0,1]=4 2011 B9R0.1 CC(=O)CCS[C@H](C)CO 62a_100000053229_100016084084 [0,1,0,0,0,0|2,0,0]=3 2012 B9R0.1 CC(=O)CCS[C@H](C)CO 62a_100016084084_100000053229 [0,1,0,0,0,0|2,0,0]=3 2013 B9R0.1 CC(=O)COCC(O)CO 34a_100000211253_100011219619 [0,1,0,0,0,0|2,0,0]=3 2014 B9R0.1 CC(=O)COC[C@@H](C)CO 34a_100000211253_100000059175 [0,1,0,0,0,0|2,0,0]=3 2015 B9R0.1 CC(=O)COC[C@@H](O)CF 34a_100000211253_100015614560 [0,1,0,0,0,0|2,0,0]=3 2016 B9R0.1 CC(=O)COC[C@@H](O)CO 34a_100000211253_100009815848 [0,1,0,0,0,0|2,0,0]=3 2017 B9R0.1 CC(=O)NCCC(=O)CF 1458a_100000183196_100015361967 [0,1,0,0,0,0|2,0,1]=4 2018 B9R0.1 CC(=O)NCCC(=O)CO 1458a_100000210174_100000189650 [0,1,0,0,0,0|2,0,1]=4 2019 B9R0.1 CC(=O)NCCC(C)CO 240690a_106354213184_100015343762 [0,1,0,0,0,0|2,0,0]=3 2020 B9R0.1 CC(=O)NCCC(C)CO 527a_106354213184_100103153847 [0,1,0,0,0,0|2,0,0]=3 2021 B9R0.1 CC(=O)OCCC(=O)CO 1458a_100000210174_100009814007 [0,1,0,0,0,0|2,0,1]=4 2022 B9R0.1 CC(=O)OCOC(C)CF 34a_100016041109_100009813279 [0,1,0,0,0,0|3,0,0]=4 2023 B9R0.1 CC(=O)OCOC(C)CN 34a_100000210904_100009813279 [0,1,0,0,0,0|3,0,0]=4 2024 B9R0.1 CC(=O)OCSC(C)CO 62a_100012180447_100000076356 [0,1,0,0,0,0|3,0,0]=4 2025 B9R0.1 CC(=O)OCS[C@H](C)CO 62a_100000076356_100016084084 [0,1,0,0,0,0|3,0,0]=4 2026 B9R0.1 CC(=O)OCS[C@H](C)CO 62a_100016084084_100000076356 [0,1,0,0,0,0|3,0,0]=4 2027 B9R0.1 CC(=O)SCCC(=O)CF 1458a_100000048949_100015361967 [0,1,0,0,0,0|2,0,1]=4 2028 B9R0.1 CC(C)CCCC(C)N[13CH3] 2230a_100000210607_200025704644 [0,1,0,0,0,0|2,0,1]=4 2029 B9R0.1 CC(C)CCCC(C)O[13CH3] 34a_200011218570_200025704644 [0,1,0,0,0,0|2,0,1]=4 2030 B9R0.1 CC(C)CCCC(C)O[13CH3] 7a_200011218570_200025704644 [0,1,0,0,0,0|2,0,1]=4 2031 B9R0.1 CC(CCCC(=O)[O-])O[13CH3] 7a_100000761597_200025704644 [0,1,0,0,0,0|2,0,0]=3 2032 B9R0.1 CC(CF)OCCC(=O)N 34a_100016041109_100000731001 [0,1,0,0,0,0|3,0,0]=4 2033 B9R0.1 CC(CF)OCCC(=O)N 7a_100016041109_100000744528 [0,1,0,0,0,0|3,0,0]=4 2034 B9R0.1 CC(CN)COCC(=O)N 34a_100000744482_100000187820 [0,1,0,0,0,0|3,0,0]=4 2035 B9R0.1 CC(CN)COCC(=O)[O-] 34a_100000744482_100020667443 [0,1,0,0,0,0|3,0,0]=4 2036 B9R0.1 CC(CN)OCCC(=O)N 34a_100000210904_100000731001 [0,1,0,0,0,0|3,0,0]=4 2037 B9R0.1 CC(CO)CNCC(=O)N 34a_100000744482_100000187820 [0,1,0,0,0,0|3,0,0]=4 2038 B9R0.1 CC(CO)CNCC(=O)[O-] 34a_100000744482_100020667443 [0,1,0,0,0,0|3,0,0]=4 2039 B9R0.1 CC(CO)OCCC(=O)N 34a_100000757172_100012180447 [0,1,0,0,0,0|3,0,0]=4 2040 B9R0.1 CC(CO)OCCC(=O)N 7a_100000757172_100012180447 [0,1,0,0,0,0|3,0,0]=4 2041 B9R0.1 CC(CO)SCCC(=O)N 62a_100012180447_100000744528 [0,1,0,0,0,0|3,0,0]=4 2042 B9R0.1 CCC(=O)CCC=C(C)C 1458a_100000210414_100011217483 [0,1,0,0,0,0|1,0,2]=4 2043 B9R0.1 CCC(=O)CCCC(=O)C 1458a_100000210414_100011215641 [0,1,0,0,0,0|0,0,1]=2 2044 B9R0.1 CCC(=O)CCCC(=O)N 1458a_100000210414_100102525003 [0,1,0,0,0,0|1,0,1]=3 2045 B9R0.1 CCC(=O)CCCC(C)C 1458a_100000210414_100011214892 [0,1,0,0,0,0|1,0,2]=4 2046 B9R0.1 CCC(=O)CCCC(C)C 1458a_100011216857_100000210202 [0,1,0,0,0,0|1,0,2]=4 2047 B9R0.1 CCC(=O)CCCC(C)O 1458a_100000210414_200000718107 [0,1,0,0,0,0|0,0,3]=4 2048 B9R0.1 CCC(=O)CCCN(C)C 1458a_100000210414_100000695564 [0,1,0,0,0,0|2,0,1]=4 2049 B9R0.1 CCC(=O)CCC[N+](=O)[O-] 1458a_100016109205_100000210202 [0,1,0,0,0,0|2,0,1]=4 2050 B9R0.1 CCC(=O)CCNC(=O)C 1458a_100000183196_100000210202 [0,1,0,0,0,0|1,0,1]=3 2051 B9R0.1 CCC(=O)CCNC(=O)C 1458a_100000210414_100000189650 [0,1,0,0,0,0|1,0,1]=3 2052 B9R0.1 CCC(=O)CCNC(=O)N 1458a_100000181464_100000210202 [0,1,0,0,0,0|2,0,1]=4 2053 B9R0.1 CCC(=O)CCNC(=O)N 1458a_100000210414_200000034859 [0,1,0,0,0,0|2,0,1]=4 2054 B9R0.1 CCC(=O)CCOC(=O)C 1458a_100000210414_100009814007 [0,1,0,0,0,0|1,0,1]=3 2055 B9R0.1 CCC(=O)CCOC(=O)N 1458a_100000210414_200011214921 [0,1,0,0,0,0|2,0,1]=4 2056 B9R0.1 CCC(=O)CCSC(=O)C 1458a_100000048949_100000210202 [0,1,0,0,0,0|1,0,1]=3 2057 B9R0.1 CCC(=O)CNCC(=O)O 269956a_100016091260_100000747405 [0,1,0,0,0,0|2,0,1]=4 2058 B9R0.1 CCC(=O)COCC(=O)N 1458a_100011219004_100000210202 [0,1,0,0,0,0|2,0,1]=4 2059 B9R0.1 CCC(=O)COCC(=O)N 34a_100000725409_100000187820 [0,1,0,0,0,0|2,0,1]=4 2060 B9R0.1 CCC(=O)COCC(=O)[O-] 34a_100000725409_100020667443 [0,1,0,0,0,0|2,0,1]=4 2061 B9R0.1 CCC(=O)CSCC(=O)N 62a_100000747405_100000747473 [0,1,0,0,0,0|2,0,1]=4 2062 B9R0.1 CCC(=O)CSCC(=O)N 62a_100000747473_100000747405 [0,1,0,0,0,0|2,0,1]=4 2063 B9R0.1 CCC(=O)CSCC(=O)[O-] 62a_100000747405_100020667443 [0,1,0,0,0,0|2,0,1]=4 2064 B9R0.1 CCC(=O)CSCC(=O)[O-] 62a_100020667443_100000747405 [0,1,0,0,0,0|2,0,1]=4 2065 B9R0.1 CCC(=O)NCCC(=O)N 11a_100000740010_100000210414 [0,1,0,0,0,0|2,0,1]=4 2066 B9R0.1 CCC(=O)NCCC(=O)N 240690a_100000740010_100000210414 [0,1,0,0,0,0|2,0,1]=4 2067 B9R0.1 CCC(=O)NCCC(=O)N 527a_100000740010_100000210414 [0,1,0,0,0,0|2,0,1]=4 2068 B9R0.1 CCC(C)C=NNC(=O)C 4a_100000189765_100000243153 [0,1,0,0,0,0|2,0,1]=4 2069 B9R0.1 CCC(C)CCNC(=O)C 11a_100020591266_100015343762 [0,1,0,0,0,0|1,0,0]=2 2070 B9R0.1 CCC(C)CCNC(=O)C 1626a_100020591266_100015343762 [0,1,0,0,0,0|1,0,0]=2 2071 B9R0.1 CCC(C)CCNC(=O)C 240690a_100020591266_100015343762 [0,1,0,0,0,0|1,0,0]=2 2072 B9R0.1 CCC(C)CCNC(=O)C 527a_100020591266_100103153847 [0,1,0,0,0,0|1,0,0]=2 2073 B9R0.1 CCC(C)CCNC(C)C 2230a_100020591266_100000210206 [0,1,0,0,0,0|2,0,1]=4 2074 B9R0.1 CCC(C)CCOC(C)C 7a_100011215188_100000210206 [0,1,0,0,0,0|2,0,1]=4 2075 B9R0.1 CCC(C)CNCC(=O)N 2230a_100000711301_100000748023 [0,1,0,0,0,0|2,0,0]=3 2076 B9R0.1 CCC(C)CNCC(=O)N 2230a_100020588543_100000747473 [0,1,0,0,0,0|2,0,0]=3 2077 B9R0.1 CCC(C)CNCC(=O)O 269956a_100016091260_100000748023 [0,1,0,0,0,0|2,0,0]=3 2078 B9R0.1 CCC(C)CNCC(C)C 2230a_100000210953_100000748023 [0,1,0,0,0,0|2,0,1]=4 2079 B9R0.1 CCC(C)CNCC(C)C 2230a_100020588543_100000210760 [0,1,0,0,0,0|2,0,1]=4 2080 B9R0.1 CCC(C)CNCC(C)C 270004a_100000210953_100000243153 [0,1,0,0,0,0|2,0,1]=4 2081 B9R0.1 CCC(C)CNCC(C)C 270004a_100020588543_100000210432 [0,1,0,0,0,0|2,0,1]=4 2082 B9R0.1 CCC(C)CNCC(C)C 34a_100000210953_100000748023 [0,1,0,0,0,0|2,0,1]=4 2083 B9R0.1 CCC(C)CNCC(C)O 2230a_100000210904_100000748023 [0,1,0,0,0,0|1,0,2]=4 2084 B9R0.1 CCC(C)CNCC(C)O 2230a_100020588543_100011218427 [0,1,0,0,0,0|1,0,2]=4 2085 B9R0.1 CCC(C)CNCC(C)O 270004a_100000210904_100000243153 [0,1,0,0,0,0|1,0,2]=4 2086 B9R0.1 CCC(C)CNCC(C)O 34a_100000210904_100000748023 [0,1,0,0,0,0|1,0,2]=4 2087 B9R0.1 CCC(C)CNC[C@@H](C)O 2230a_100020588543_100009817552 [0,1,0,0,0,0|1,0,2]=4 2088 B9R0.1 CCC(C)COCC(=O)C 34a_100000211253_100000748023 [0,1,0,0,0,0|1,0,0]=2 2089 B9R0.1 CCC(C)COCC(C)Br 34a_100012180447_100000748023 [0,1,0,0,0,0|2,0,1]=4 2090 B9R0.1 CCC(C)COCC(C)C 34a_100000210257_100000748023 [0,1,0,0,0,0|2,0,1]=4 2091 B9R0.1 CCC(C)COCC(C)F 34a_100015925927_100000748023 [0,1,0,0,0,0|2,0,1]=4 2092 B9R0.1 CCC(C)COC[C@@H](C)Cl 34a_100016084084_100000748023 [0,1,0,0,0,0|2,0,1]=4 2093 B9R0.1 CCC(C)COC[C@@H](C)N 34a_100000737577_100000748023 [0,1,0,0,0,0|2,0,1]=4 2094 B9R0.1 CCC(C)CSCC(=O)N 62a_100000747473_100000748023 [0,1,0,0,0,0|2,0,0]=3 2095 B9R0.1 CCC(C)CSCC(=O)N 62a_100000748023_100000747473 [0,1,0,0,0,0|2,0,0]=3 2096 B9R0.1 CCC(C)CSCC(=O)[O-] 62a_100000748023_100020667443 [0,1,0,0,0,0|2,0,0]=3 2097 B9R0.1 CCC(C)CSCC(=O)[O-] 62a_100020667443_100000748023 [0,1,0,0,0,0|2,0,0]=3 2098 B9R0.1 CCC(C)CSCC(C)C 62a_100000210624_100000748023 [0,1,0,0,0,0|2,0,1]=4 2099 B9R0.1 CCC(C)CSCC(C)C 62a_100000748023_100000210760 [0,1,0,0,0,0|2,0,1]=4 2100 B9R0.1 CCC(C)CSCC(C)O 62a_100000748023_100011218427 [0,1,0,0,0,0|1,0,2]=4 2101 B9R0.1 CCC(C)CSCC(C)O 62a_100011218427_100000748023 [0,1,0,0,0,0|1,0,2]=4 2102 B9R0.1 CCC(C)CSC[C@@H](C)O 62a_100000748023_100009817552 [0,1,0,0,0,0|1,0,2]=4 2103 B9R0.1 CCC(C)CSC[C@@H](C)O 62a_100009817552_100000748023 [0,1,0,0,0,0|1,0,2]=4 2104 B9R0.1 CCC(C)CSC[N+](=O)[O-] 62a_100000748023_100000761209 [0,1,0,0,0,0|3,0,0]=4 2105 B9R0.1 CCC(C)NCC=C(C)C 2230a_100000209981_100000761012 [0,1,0,0,0,0|2,0,1]=4 2106 B9R0.1 CCC(C)NCC=C(C)C 34a_100000718196_100011215416 [0,1,0,0,0,0|2,0,1]=4 2107 B9R0.1 CCC(C)NCCC(=O)N 2230a_100000209981_100000744528 [0,1,0,0,0,0|2,0,0]=3 2108 B9R0.1 CCC(C)NCCC(C)C 2230a_100000209981_100000210312 [0,1,0,0,0,0|2,0,1]=4 2109 B9R0.1 CCC(C)NCCC(C)C 269862a_100000209981_100000185833 [0,1,0,0,0,0|2,0,1]=4 2110 B9R0.1 CCC(C)NCCC(C)O 2230a_100000209981_100012276601 [0,1,0,0,0,0|1,0,2]=4 2111 B9R0.1 CCC(C)NCCC(C)O 2230a_200000755665_100000758301 [0,1,0,0,0,0|1,0,2]=4 2112 B9R0.1 CCC(C)NOCC(=O)O 269956a_100000106656_100000758301 [0,1,0,0,0,0|3,0,0]=4 2113 B9R0.1 CCC(C)OCC=C(C)C 34a_100000753907_100011215416 [0,1,0,0,0,0|2,0,1]=4 2114 B9R0.1 CCC(C)OCC=C(C)C 7a_100000210228_100000761012 [0,1,0,0,0,0|2,0,1]=4 2115 B9R0.1 CCC(C)OCCC(=O)C 34a_100000759926_100011215416 [0,1,0,0,0,0|1,0,0]=2 2116 B9R0.1 CCC(C)OCCC(=O)C 7a_100000210228_100000053229 [0,1,0,0,0,0|1,0,0]=2 2117 B9R0.1 CCC(C)OCCC(=O)C 7a_100000759926_100000758301 [0,1,0,0,0,0|1,0,0]=2 2118 B9R0.1 CCC(C)OCCC(=O)N 34a_100000757172_100011215416 [0,1,0,0,0,0|2,0,0]=3 2119 B9R0.1 CCC(C)OCCC(=O)N 7a_100000210228_100000744528 [0,1,0,0,0,0|2,0,0]=3 2120 B9R0.1 CCC(C)OCCC(=O)N 7a_100000757172_100000758301 [0,1,0,0,0,0|2,0,0]=3 2121 B9R0.1 CCC(C)OCCC(C)Br 34a_100009893172_100011215416 [0,1,0,0,0,0|2,0,1]=4 2122 B9R0.1 CCC(C)OCCC(C)C 34a_100000210254_100011215416 [0,1,0,0,0,0|2,0,1]=4 2123 B9R0.1 CCC(C)OCCC(C)C 7a_100000210228_100000210626 [0,1,0,0,0,0|2,0,1]=4 2124 B9R0.1 CCC(C)OCCC(C)C 7a_100000210254_100000758301 [0,1,0,0,0,0|2,0,1]=4 2125 B9R0.1 CCC(C)OCCC(C)O 7a_100000210228_100012276601 [0,1,0,0,0,0|1,0,2]=4 2126 B9R0.1 CCC(C)OCCN(C)C 7a_100000210228_100000755713 [0,1,0,0,0,0|3,0,0]=4 2127 B9R0.1 CCC(C)OCC[C@@H](C)N 34a_100000706166_100011215416 [0,1,0,0,0,0|2,0,1]=4 2128 B9R0.1 CCC(C)SCC=C(C)C 62a_100000758301_100000761012 [0,1,0,0,0,0|2,0,1]=4 2129 B9R0.1 CCC(C)SCC=C(C)C 62a_100000761012_100000758301 [0,1,0,0,0,0|2,0,1]=4 2130 B9R0.1 CCC(C)SCCC(=O)C 62a_100000053229_100000758301 [0,1,0,0,0,0|1,0,0]=2 2131 B9R0.1 CCC(C)SCCC(=O)C 62a_100000758301_100000053229 [0,1,0,0,0,0|1,0,0]=2 2132 B9R0.1 CCC(C)SCCC(=O)N 62a_100000744528_100000758301 [0,1,0,0,0,0|2,0,0]=3 2133 B9R0.1 CCC(C)SCCC(=O)N 62a_100000758301_100000744528 [0,1,0,0,0,0|2,0,0]=3 2134 B9R0.1 CCC(C)SCCC(C)C 62a_100000210312_100000758301 [0,1,0,0,0,0|2,0,1]=4 2135 B9R0.1 CCC(C)SCCC(C)C 62a_100000758301_100000210312 [0,1,0,0,0,0|2,0,1]=4 2136 B9R0.1 CCC(C)SCCC(C)O 62a_100000758301_100012276601 [0,1,0,0,0,0|1,0,2]=4 2137 B9R0.1 CCC(C)SCCC(C)O 62a_100012276601_100000758301 [0,1,0,0,0,0|1,0,2]=4 2138 B9R0.1 CCC(C)SCCN(C)C 62a_100000758301_100000755713 [0,1,0,0,0,0|3,0,0]=4 2139 B9R0.1 CCC(C)SCOC(=O)C 62a_100000076356_100000758301 [0,1,0,0,0,0|2,0,0]=3 2140 B9R0.1 CCC(C)SCOC(=O)C 62a_100000758301_100000076356 [0,1,0,0,0,0|2,0,0]=3 2141 B9R0.1 CCC(O)CNCC(=O)N 2230a_100000711301_100011218378 [0,1,0,0,0,0|2,0,0]=3 2142 B9R0.1 CCC(O)CNCC(=O)N 2230a_100011218483_100000747473 [0,1,0,0,0,0|2,0,0]=3 2143 B9R0.1 CCC(O)CNCC(=O)O 269956a_100016091260_100011218378 [0,1,0,0,0,0|2,0,0]=3 2144 B9R0.1 CCC(O)CNCC(C)C 2230a_100000210953_100011218378 [0,1,0,0,0,0|2,0,1]=4 2145 B9R0.1 CCC(O)CNCC(C)C 2230a_100011218483_100000210760 [0,1,0,0,0,0|2,0,1]=4 2146 B9R0.1 CCC(O)CNCC(C)C 270004a_100011218483_100000210432 [0,1,0,0,0,0|2,0,1]=4 2147 B9R0.1 CCC(O)CNCC(C)C 34a_100000210953_100011218378 [0,1,0,0,0,0|2,0,1]=4 2148 B9R0.1 CCC(O)CNCC(C)O 2230a_100000210904_100011218378 [0,1,0,0,0,0|1,0,2]=4 2149 B9R0.1 CCC(O)CNCC(C)O 2230a_100011218483_100011218427 [0,1,0,0,0,0|1,0,2]=4 2150 B9R0.1 CCC(O)CNCC(C)O 34a_100000210904_100011218378 [0,1,0,0,0,0|1,0,2]=4 2151 B9R0.1 CCC(O)CNC[C@@H](C)O 2230a_100011218483_100009817552 [0,1,0,0,0,0|1,0,2]=4 2152 B9R0.1 CCC(O)CNNC(=O)C 22a_100015206393_100000070787 [0,1,0,0,0,0|2,0,0]=3 2153 B9R0.1 CCC(O)COCC(=O)C 34a_100000211253_100011218378 [0,1,0,0,0,0|1,0,0]=2 2154 B9R0.1 CCC(O)COCC(C)Br 34a_100012180447_100011218378 [0,1,0,0,0,0|2,0,1]=4 2155 B9R0.1 CCC(O)COCC(C)C 34a_100000210257_100011218378 [0,1,0,0,0,0|2,0,1]=4 2156 B9R0.1 CCC(O)COCC(C)F 34a_100015925927_100011218378 [0,1,0,0,0,0|2,0,1]=4 2157 B9R0.1 CCC(O)COC[C@@H](C)Cl 34a_100016084084_100011218378 [0,1,0,0,0,0|2,0,1]=4 2158 B9R0.1 CCC(O)COC[C@@H](C)N 34a_100000737577_100011218378 [0,1,0,0,0,0|2,0,1]=4 2159 B9R0.1 CCC(O)CSCC(=O)N 62a_100000747473_100011218378 [0,1,0,0,0,0|2,0,0]=3 2160 B9R0.1 CCC(O)CSCC(=O)N 62a_100011218378_100000747473 [0,1,0,0,0,0|2,0,0]=3 2161 B9R0.1 CCC(O)CSCC(=O)[O-] 62a_100011218378_100020667443 [0,1,0,0,0,0|2,0,0]=3 2162 B9R0.1 CCC(O)CSCC(=O)[O-] 62a_100020667443_100011218378 [0,1,0,0,0,0|2,0,0]=3 2163 B9R0.1 CCC(O)CSCC(C)C 62a_100000210624_100011218378 [0,1,0,0,0,0|2,0,1]=4 2164 B9R0.1 CCC(O)CSCC(C)C 62a_100011218378_100000210760 [0,1,0,0,0,0|2,0,1]=4 2165 B9R0.1 CCC(O)CSCC(C)O 62a_100011218378_100011218427 [0,1,0,0,0,0|1,0,2]=4 2166 B9R0.1 CCC(O)CSCC(C)O 62a_100011218427_100011218378 [0,1,0,0,0,0|1,0,2]=4 2167 B9R0.1 CCC(O)CSC[C@@H](C)O 62a_100009817552_100011218378 [0,1,0,0,0,0|1,0,2]=4 2168 B9R0.1 CCC(O)CSC[C@@H](C)O 62a_100011218378_100009817552 [0,1,0,0,0,0|1,0,2]=4 2169 B9R0.1 CCC(O)CSC[N+](=O)[O-] 62a_100011218378_100000761209 [0,1,0,0,0,0|3,0,0]=4 2170 B9R0.1 CCN(C)CCC=C(C)C 2230a_100000225621_100011217483 [0,1,0,0,0,0|2,0,1]=4 2171 B9R0.1 CCN(C)CCC=C(C)C 269982a_100000225621_100011217483 [0,1,0,0,0,0|2,0,1]=4 2172 B9R0.1 CCN(C)CCCC(=O)C 1458a_100000070787_100015186262 [0,1,0,0,0,0|1,0,0]=2 2173 B9R0.1 CCN(C)CCCC(=O)C 269982a_100000225621_100011215641 [0,1,0,0,0,0|1,0,0]=2 2174 B9R0.1 CCN(C)CCCC(=O)N 269982a_100000225621_100102525003 [0,1,0,0,0,0|2,0,0]=3 2175 B9R0.1 CCN(C)CCCC(=O)O 269956a_100000719178_100000210202 [0,1,0,0,0,0|2,0,0]=3 2176 B9R0.1 CCN(C)CCCC(C)C 2230a_100000225621_100011214892 [0,1,0,0,0,0|2,0,1]=4 2177 B9R0.1 CCN(C)CCCC(C)C 269982a_100000225621_100011214892 [0,1,0,0,0,0|2,0,1]=4 2178 B9R0.1 CCN(C)CCCC(C)O 2230a_100000225621_200000718107 [0,1,0,0,0,0|1,0,2]=4 2179 B9R0.1 CCN(C)CCCC(C)O 269982a_100000225621_200000718107 [0,1,0,0,0,0|1,0,2]=4 2180 B9R0.1 CCN(C)CCCN(C)C 2230a_100102631434_100015186262 [0,1,0,0,0,0|3,0,0]=4 2181 B9R0.1 CCN(C)CCCN(C)C 269982a_100000225621_100000757444 [0,1,0,0,0,0|3,0,0]=4 2182 B9R0.1 CCN(C)CCCN(C)C 269982a_100000225831_100000204670 [0,1,0,0,0,0|3,0,0]=4 2183 B9R0.1 CCN(C)CCCN(C)C 269982a_100000225837_200000210301 [0,1,0,0,0,0|3,0,0]=4 2184 B9R0.1 CCN(C)CCCN(C)C 269982a_100102631434_100015186262 [0,1,0,0,0,0|3,0,0]=4 2185 B9R0.1 CCN(C)CCNC(=O)C 2230a_100000225621_100000189650 [0,1,0,0,0,0|2,0,0]=3 2186 B9R0.1 CCN(C)CCNC(=O)C 269982a_100000225621_100000189650 [0,1,0,0,0,0|2,0,0]=3 2187 B9R0.1 CCN(C)CCNC(=O)N 2230a_100000225621_200000034859 [0,1,0,0,0,0|3,0,0]=4 2188 B9R0.1 CCN(C)CCNC(=O)N 269982a_100000225621_200000034859 [0,1,0,0,0,0|3,0,0]=4 2189 B9R0.1 CCN(C)CCOC(=O)C 269982a_100000225621_100009814007 [0,1,0,0,0,0|2,0,0]=3 2190 B9R0.1 CCN(C)CCOC(=O)N 269982a_100000225621_200011214921 [0,1,0,0,0,0|3,0,0]=4 2191 B9R0.1 CCN([13CH3])CCCN(C)C 269982a_100000225837_200025704644 [0,1,0,0,0,0|3,0,0]=4 2192 B9R0.1 CC[C@H](C)CNCC(=O)N 2230a_100000711301_100009816398 [0,1,0,0,0,0|2,0,0]=3 2193 B9R0.1 CC[C@H](C)CNCC(=O)O 269956a_100016091260_100009816398 [0,1,0,0,0,0|2,0,0]=3 2194 B9R0.1 CC[C@H](C)CNCC(C)C 2230a_100000210953_100009816398 [0,1,0,0,0,0|2,0,1]=4 2195 B9R0.1 CC[C@H](C)CNCC(C)C 34a_100000210953_100009816398 [0,1,0,0,0,0|2,0,1]=4 2196 B9R0.1 CC[C@H](C)CNCC(C)O 2230a_100000210904_100009816398 [0,1,0,0,0,0|1,0,2]=4 2197 B9R0.1 CC[C@H](C)CNCC(C)O 34a_100000210904_100009816398 [0,1,0,0,0,0|1,0,2]=4 2198 B9R0.1 CC[C@H](C)COCC(=O)C 34a_100000211253_100009816398 [0,1,0,0,0,0|1,0,0]=2 2199 B9R0.1 CC[C@H](C)COCC(=O)N 7a_100009816381_100000187820 [0,1,0,0,0,0|2,0,0]=3 2200 B9R0.1 CC[C@H](C)COCC(C)Br 34a_100012180447_100009816398 [0,1,0,0,0,0|2,0,1]=4 2201 B9R0.1 CC[C@H](C)COCC(C)C 34a_100000210257_100009816398 [0,1,0,0,0,0|2,0,1]=4 2202 B9R0.1 CC[C@H](C)COCC(C)C 7a_100009816381_100000210760 [0,1,0,0,0,0|2,0,1]=4 2203 B9R0.1 CC[C@H](C)COCC(C)F 34a_100015925927_100009816398 [0,1,0,0,0,0|2,0,1]=4 2204 B9R0.1 CC[C@H](C)COCC(C)O 7a_100009816381_100011218427 [0,1,0,0,0,0|1,0,2]=4 2205 B9R0.1 CC[C@H](C)COC[C@@H](C)Cl 34a_100016084084_100009816398 [0,1,0,0,0,0|2,0,1]=4 2206 B9R0.1 CC[C@H](C)COC[C@@H](C)N 34a_100000737577_100009816398 [0,1,0,0,0,0|2,0,1]=4 2207 B9R0.1 CC[C@H](C)COC[C@@H](C)O 7a_100009816381_100009817552 [0,1,0,0,0,0|1,0,2]=4 2208 B9R0.1 CC[C@H](C)CSCC(=O)N 62a_100000747473_100009816398 [0,1,0,0,0,0|2,0,0]=3 2209 B9R0.1 CC[C@H](C)CSCC(=O)N 62a_100009816398_100000747473 [0,1,0,0,0,0|2,0,0]=3 2210 B9R0.1 CC[C@H](C)CSCC(=O)[O-] 62a_100009816398_100020667443 [0,1,0,0,0,0|2,0,0]=3 2211 B9R0.1 CC[C@H](C)CSCC(=O)[O-] 62a_100020667443_100009816398 [0,1,0,0,0,0|2,0,0]=3 2212 B9R0.1 CC[C@H](C)CSCC(C)C 62a_100000210624_100009816398 [0,1,0,0,0,0|2,0,1]=4 2213 B9R0.1 CC[C@H](C)CSCC(C)C 62a_100009816398_100000210760 [0,1,0,0,0,0|2,0,1]=4 2214 B9R0.1 CC[C@H](C)CSCC(C)O 62a_100009816398_100011218427 [0,1,0,0,0,0|1,0,2]=4 2215 B9R0.1 CC[C@H](C)CSCC(C)O 62a_100011218427_100009816398 [0,1,0,0,0,0|1,0,2]=4 2216 B9R0.1 CC[C@H](C)CSC[C@@H](C)O 62a_100009816398_100009817552 [0,1,0,0,0,0|1,0,2]=4 2217 B9R0.1 CC[C@H](C)CSC[C@@H](C)O 62a_100009817552_100009816398 [0,1,0,0,0,0|1,0,2]=4 2218 B9R0.1 CC[C@H](C)CSC[N+](=O)[O-] 62a_100009816398_100000761209 [0,1,0,0,0,0|3,0,0]=4 2219 B9R0.1 CN(CCCC(=O)[13CH3])N=O 1458a_200000076914_200025704644 [0,1,0,0,0,0|3,0,0]=4 2220 B9R0.1 CN(CF)CCCC(=O)O 269956a_100000719178_100015361967 [0,1,0,0,0,0|3,0,0]=4 2221 B9R0.1 CNC(=O)CCCC(=O)C 1458a_100000070787_100000741757 [0,1,0,0,0,0|1,0,1]=3 2222 B9R0.1 CNC(=O)CCNC(=O)C 11a_100000738227_100015343762 [0,1,0,0,0,0|2,0,1]=4 2223 B9R0.1 CNC(=O)CCNC(=O)C 11a_106832991635_100000183196 [0,1,0,0,0,0|2,0,1]=4 2224 B9R0.1 CNC(=O)CCNC(=O)C 1626a_100102657272_100000183196 [0,1,0,0,0,0|2,0,1]=4 2225 B9R0.1 CNC(=O)CCNC(=O)C 240690a_100000738227_100015343762 [0,1,0,0,0,0|2,0,1]=4 2226 B9R0.1 CNC(=O)CCNC(=O)C 240690a_100102657272_100000183196 [0,1,0,0,0,0|2,0,1]=4 2227 B9R0.1 CNC(=O)CCNC(=O)C 527a_100000738227_100103153847 [0,1,0,0,0,0|2,0,1]=4 2228 B9R0.1 CNC(=O)CCNC(=O)C 527a_100102657272_100000183196 [0,1,0,0,0,0|2,0,1]=4 2229 B9R0.1 CNC(=O)CCSC(=O)C 1626a_100102657272_100000048949 [0,1,0,0,0,0|2,0,1]=4 2230 B9R0.1 CNC(=O)CCSC(=O)C 240690a_100102657272_100000048949 [0,1,0,0,0,0|2,0,1]=4 2231 B9R0.1 CNC(=O)COCC(=O)C 34a_100000211253_100000183359 [0,1,0,0,0,0|2,0,1]=4 2232 B9R0.1 CNC(=O)OCCC(=O)C 1458a_100000070787_200011997002 [0,1,0,0,0,0|2,0,1]=4 2233 B9R0.1 CNC(C)CCC=C(C)C 270004a_106832991635_100000765506 [0,1,0,0,0,0|2,0,1]=4 2234 B9R0.1 CNC(C)CCCC(C)C 2230a_100000210607_200000210301 [0,1,0,0,0,0|2,0,1]=4 2235 B9R0.1 CNC(C)CCCC(C)C 270004a_106832991635_100000753411 [0,1,0,0,0,0|2,0,1]=4 2236 B9R0.1 COC(=O)CCCC(=O)C 1458a_100000070787_100011218270 [0,1,0,0,0,0|1,0,1]=3 2237 B9R0.1 COC(=O)CCCC(=O)C 1458a_100000239890_200000210301 [0,1,0,0,0,0|1,0,1]=3 2238 B9R0.1 COC(=O)CCCC(=O)[13CH3] 1458a_100000239890_200025704644 [0,1,0,0,0,0|1,0,1]=3 2239 B9R0.1 COC(=O)CCNC(=O)C 188690a_100000683876_100015343762 [0,1,0,0,0,0|2,0,1]=4 2240 B9R0.1 COC(=O)COCC(=O)C 34a_100000211253_100000747449 [0,1,0,0,0,0|2,0,1]=4 2241 B9R0.1 COC(=O)CSCC(=O)C 1458a_100000191316_200000210301 [0,1,0,0,0,0|2,0,1]=4 2242 B9R0.1 COC(=O)CSCC(=O)[13CH3] 1458a_100000191316_200025704644 [0,1,0,0,0,0|2,0,1]=4 2243 B9R0.1 COC(C)CCC=C(C)C 34a_100102619829_200000210301 [0,1,0,0,0,0|2,0,1]=4 2244 B9R0.1 COC(C)CCC=C(C)C 7a_100102619829_200000210301 [0,1,0,0,0,0|2,0,1]=4 2245 B9R0.1 COC(C)CCCC(=O)[O-] 7a_100000761597_200000210301 [0,1,0,0,0,0|2,0,0]=3 2246 B9R0.1 COC(C)CCCC(C)C 34a_200011218570_200000210301 [0,1,0,0,0,0|2,0,1]=4 2247 B9R0.1 COC(C)CCCC(C)C 7a_200011218570_200000210301 [0,1,0,0,0,0|2,0,1]=4 2248 B9R0.1 COC(C)COCC(=O)N 34a_100000690652_100000187820 [0,1,0,0,0,0|3,0,0]=4 2249 B9R0.1 COC(C)COCC(=O)[O-] 34a_100000690652_100020667443 [0,1,0,0,0,0|3,0,0]=4 2250 B9R0.1 COC(C)SCCC(=O)C 62a_100000053229_100009879195 [0,1,0,0,0,0|2,0,0]=3 2251 B9R0.1 COC(C)SCCC(=O)C 62a_100009879195_100000053229 [0,1,0,0,0,0|2,0,0]=3 2252 B9R0.1 COC(C)SCCC(=O)N 62a_100000744528_100009879195 [0,1,0,0,0,0|3,0,0]=4 2253 B9R0.1 COC(C)SCCC(=O)N 62a_100009879195_100000744528 [0,1,0,0,0,0|3,0,0]=4 2254 B9R0.1 COC(C)SCOC(=O)C 62a_100000076356_100009879195 [0,1,0,0,0,0|3,0,0]=4 2255 B9R0.1 COC(C)SCOC(=O)C 62a_100009879195_100000076356 [0,1,0,0,0,0|3,0,0]=4 2256 B9R0.1 CO[C@H](C)CNCC(=O)N 2230a_100020591295_100000747473 [0,1,0,0,0,0|3,0,0]=4 2257 B9R0.1 C[C@@H](CO)CNCC(=O)N 2230a_100000711301_100000059175 [0,1,0,0,0,0|3,0,0]=4 2258 B9R0.1 C[C@@H](CO)CNCC(=O)O 269956a_100016091260_100000059175 [0,1,0,0,0,0|3,0,0]=4 2259 B9R0.1 C[C@@H](CO)CSCC(=O)N 62a_100000059175_100000747473 [0,1,0,0,0,0|3,0,0]=4 2260 B9R0.1 C[C@@H](CO)CSCC(=O)N 62a_100000747473_100000059175 [0,1,0,0,0,0|3,0,0]=4 2261 B9R0.1 C[C@@H](CO)CSCC(=O)[O-] 62a_100000059175_100020667443 [0,1,0,0,0,0|3,0,0]=4 2262 B9R0.1 C[C@@H](CO)CSCC(=O)[O-] 62a_100020667443_100000059175 [0,1,0,0,0,0|3,0,0]=4 2263 B9R0.1 C[C@H](CO)NCCC(=O)N 2230a_100000737577_100000744528 [0,1,0,0,0,0|3,0,0]=4 2264 B9R0.1 C[C@H](CO)SCCC(=O)N 62a_100000744528_100016084084 [0,1,0,0,0,0|3,0,0]=4 2265 B9R0.1 C[C@H](CO)SCCC(=O)N 62a_100016084084_100000744528 [0,1,0,0,0,0|3,0,0]=4 2266 B9R0.1 NC(=O)CCCC(=O)CO 1458a_100000210174_100102525003 [0,1,0,0,0,0|2,0,1]=4 2267 B9R0.1 NC(=O)CNCC(O)CO 2230a_100000711301_100011219619 [0,1,0,0,0,0|3,0,0]=4 2268 B9R0.1 NC(=O)CNC[C@@H](F)CO 34a_100015665980_100000187820 [0,1,0,0,0,0|3,0,0]=4 2269 B9R0.1 NC(=O)CNC[C@@H](O)CF 2230a_100000711301_100015614560 [0,1,0,0,0,0|3,0,0]=4 2270 B9R0.1 NC(=O)CNC[C@@H](O)CO 2230a_100000711301_100009815848 [0,1,0,0,0,0|3,0,0]=4 2271 B9R0.1 NC(=O)CNC[C@H](O)CO 2230a_100020644852_100000747473 [0,1,0,0,0,0|3,0,0]=4 2272 B9R0.1 NC(=O)COCC(Cl)CCl 34a_100000033668_100000187820 [0,1,0,0,0,0|3,0,0]=4 2273 B9R0.1 NC(=O)CSCC(O)CO 62a_100000747473_100011219619 [0,1,0,0,0,0|3,0,0]=4 2274 B9R0.1 NC(=O)CSCC(O)CO 62a_100011219619_100000747473 [0,1,0,0,0,0|3,0,0]=4 2275 B9R0.1 NC(=O)CSC[C@@H](O)CF 62a_100000747473_100015614560 [0,1,0,0,0,0|3,0,0]=4 2276 B9R0.1 NC(=O)CSC[C@@H](O)CF 62a_100015614560_100000747473 [0,1,0,0,0,0|3,0,0]=4 2277 B9R0.1 NC(=O)CSC[C@@H](O)CO 62a_100000747473_100009815848 [0,1,0,0,0,0|3,0,0]=4 2278 B9R0.1 NC(=O)CSC[C@@H](O)CO 62a_100009815848_100000747473 [0,1,0,0,0,0|3,0,0]=4 2279 B9R0.1 NC[C@@H](F)COCC(=O)N 34a_100015665980_100000187820 [0,1,0,0,0,0|3,0,0]=4 2280 B9R0.1 NC[C@@H](F)COCC(=O)[O-] 34a_100015665980_100020667443 [0,1,0,0,0,0|3,0,0]=4 2281 B9R0.1 O=C(O)CNCC(O)CO 269956a_100016091260_100011219619 [0,1,0,0,0,0|3,0,0]=4 2282 B9R0.1 O=C(O)CNC[C@@H](O)CF 269956a_100016091260_100015614560 [0,1,0,0,0,0|3,0,0]=4 2283 B9R0.1 O=C(O)CNC[C@@H](O)CO 269956a_100016091260_100009815848 [0,1,0,0,0,0|3,0,0]=4 2284 B9R0.1 O=C([O-])CNC[C@@H](F)CO 34a_100015665980_100020667443 [0,1,0,0,0,0|3,0,0]=4 2285 B9R0.1 O=C([O-])COCC(Cl)CCl 34a_100000033668_100020667443 [0,1,0,0,0,0|3,0,0]=4 2286 B9R0.1 O=C([O-])CSCC(O)CO 62a_100011219619_100020667443 [0,1,0,0,0,0|3,0,0]=4 2287 B9R0.1 O=C([O-])CSCC(O)CO 62a_100020667443_100011219619 [0,1,0,0,0,0|3,0,0]=4 2288 B9R0.1 O=C([O-])CSC[C@@H](O)CF 62a_100015614560_100020667443 [0,1,0,0,0,0|3,0,0]=4 2289 B9R0.1 O=C([O-])CSC[C@@H](O)CF 62a_100020667443_100015614560 [0,1,0,0,0,0|3,0,0]=4 2290 B9R0.1 O=C([O-])CSC[C@@H](O)CO 62a_100009815848_100020667443 [0,1,0,0,0,0|3,0,0]=4 2291 B9R0.1 O=C([O-])CSC[C@@H](O)CO 62a_100020667443_100009815848 [0,1,0,0,0,0|3,0,0]=4 2292 B9R0.2 C#CCCCCCC(=O)C 1458a_100000070787_100012094781 [0,1,0,0,0,0|0,0,1]=2 2293 B9R0.2 C#CCCCCCC(=O)C 1458a_100000694772_200000210301 [0,1,0,0,0,0|0,0,1]=2 2294 B9R0.2 C#CCCCCCC(=O)[13CH3] 1458a_100000694772_200025704644 [0,1,0,0,0,0|0,0,1]=2 2295 B9R0.2 C#CCCCCCN(C)C 2230a_100102631434_100012094781 [0,1,0,0,0,0|2,0,1]=4 2296 B9R0.2 C#CCCCCCN(C)C 269982a_100102631434_100012094781 [0,1,0,0,0,0|2,0,1]=4 2297 B9R0.2 C#CCCCCNC(=O)C 11a_100000706060_100015343762 [0,1,0,0,0,0|0,0,2]=3 2298 B9R0.2 C#CCCCCNC(=O)C 1626a_100000706060_100015343762 [0,1,0,0,0,0|0,0,2]=3 2299 B9R0.2 C#CCCCCNC(=O)C 240690a_100000706060_100015343762 [0,1,0,0,0,0|0,0,2]=3 2300 B9R0.2 C#CCCCCNC(=O)C 527a_100000706060_100103153847 [0,1,0,0,0,0|0,0,2]=3 2301 B9R0.2 C#CCCCNCC(=C)C 34a_100000718082_100000748629 [0,1,0,0,0,0|1,0,2]=4 2302 B9R0.2 C#CCCCNCC(=O)N 2230a_100000711301_100000731252 [0,1,0,0,0,0|1,0,2]=4 2303 B9R0.2 C#CCCCNCC(=O)N 34a_100000718082_100000187820 [0,1,0,0,0,0|1,0,2]=4 2304 B9R0.2 C#CCCCNCC(=O)O 269956a_100016091260_100011215417 [0,1,0,0,0,0|1,0,2]=4 2305 B9R0.2 C#CCCCNCC(=O)[O-] 34a_100000718082_100020667443 [0,1,0,0,0,0|1,0,2]=4 2306 B9R0.2 C#CCCCOCC(=C)C 34a_100000210245_100000695029 [0,1,0,0,0,0|1,0,2]=4 2307 B9R0.2 C#CCCCOCC(=C)C 34a_100000215630_100000748629 [0,1,0,0,0,0|1,0,2]=4 2308 B9R0.2 C#CCCCOCC(=C)C 7a_100000215630_100000748629 [0,1,0,0,0,0|1,0,2]=4 2309 B9R0.2 C#CCCCOCC(=O)C 34a_100000211253_100000695029 [0,1,0,0,0,0|0,0,2]=3 2310 B9R0.2 C#CCCCOCC(=O)N 34a_100000215630_100000187820 [0,1,0,0,0,0|1,0,2]=4 2311 B9R0.2 C#CCCCOCC(=O)N 7a_100000215630_100000187820 [0,1,0,0,0,0|1,0,2]=4 2312 B9R0.2 C#CCCCOCC(=O)[O-] 34a_100000215630_100020667443 [0,1,0,0,0,0|1,0,2]=4 2313 B9R0.2 C#CCCCSCC(=C)C 62a_100000748629_100011215417 [0,1,0,0,0,0|1,0,2]=4 2314 B9R0.2 C#CCCCSCC(=C)C 62a_100011215417_100000211660 [0,1,0,0,0,0|1,0,2]=4 2315 B9R0.2 C#CCCCSCC(=O)N 62a_100000747473_100011215417 [0,1,0,0,0,0|1,0,2]=4 2316 B9R0.2 C#CCCCSCC(=O)N 62a_100011215417_100000747473 [0,1,0,0,0,0|1,0,2]=4 2317 B9R0.2 C#CCCCSCC(=O)[O-] 62a_100011215417_100020667443 [0,1,0,0,0,0|1,0,2]=4 2318 B9R0.2 C#CCCCSCC(=O)[O-] 62a_100020667443_100011215417 [0,1,0,0,0,0|1,0,2]=4 2319 B9R0.2 C#CCCNCCC(=C)C 34a_100000755551_100000730704 [0,1,0,0,0,0|1,0,2]=4 2320 B9R0.2 C#CCCNCCC(=O)N 34a_100000755551_100000731001 [0,1,0,0,0,0|1,0,2]=4 2321 B9R0.2 C#CCCNCOC(=O)C 34a_100000755551_100009813279 [0,1,0,0,0,0|1,0,2]=4 2322 B9R0.2 C#CCCOCCC(=C)C 34a_100000764851_100000688953 [0,1,0,0,0,0|1,0,2]=4 2323 B9R0.2 C#CCCOCCC(=C)C 34a_100011215631_100000730704 [0,1,0,0,0,0|1,0,2]=4 2324 B9R0.2 C#CCCOCCC(=O)C 34a_100000759926_100000688953 [0,1,0,0,0,0|0,0,2]=3 2325 B9R0.2 C#CCCOCCC(=O)C 7a_100000759926_100000688953 [0,1,0,0,0,0|0,0,2]=3 2326 B9R0.2 C#CCCOCCC(=O)N 34a_100000757172_100000688953 [0,1,0,0,0,0|1,0,2]=4 2327 B9R0.2 C#CCCOCCC(=O)N 34a_100011215631_100000731001 [0,1,0,0,0,0|1,0,2]=4 2328 B9R0.2 C#CCCOCCC(=O)N 7a_100000757172_100000688953 [0,1,0,0,0,0|1,0,2]=4 2329 B9R0.2 C#CCCOCOC(=O)C 34a_100011215631_100009813279 [0,1,0,0,0,0|1,0,2]=4 2330 B9R0.2 C#CCCSCCC(=C)C 62a_100000688953_100000730704 [0,1,0,0,0,0|1,0,2]=4 2331 B9R0.2 C#CCCSCCC(=C)C 62a_100000730704_100000688953 [0,1,0,0,0,0|1,0,2]=4 2332 B9R0.2 C#CCCSCCC(=O)C 62a_100000053229_100000688953 [0,1,0,0,0,0|0,0,2]=3 2333 B9R0.2 C#CCCSCCC(=O)C 62a_100000688953_100000053229 [0,1,0,0,0,0|0,0,2]=3 2334 B9R0.2 C#CCCSCCC(=O)N 62a_100000688953_100000744528 [0,1,0,0,0,0|1,0,2]=4 2335 B9R0.2 C#CCCSCCC(=O)N 62a_100000744528_100000688953 [0,1,0,0,0,0|1,0,2]=4 2336 B9R0.2 C#CCCSCOC(=O)C 62a_100000076356_100000688953 [0,1,0,0,0,0|1,0,2]=4 2337 B9R0.2 C#CCCSCOC(=O)C 62a_100000688953_100000076356 [0,1,0,0,0,0|1,0,2]=4 2338 B9R0.2 C#CCNCCCC(=O)C 34a_100000212058_100000685027 [0,1,0,0,0,0|0,0,2]=3 2339 B9R0.2 C#CCNCCCC(=O)N 34a_100000212058_100102525003 [0,1,0,0,0,0|1,0,2]=4 2340 B9R0.2 C#CCNCCCC(=O)N 34a_100000739312_100000184674 [0,1,0,0,0,0|1,0,2]=4 2341 B9R0.2 C#CCNCCCS(=O)C 2230a_200000753449_100000038162 [0,1,0,0,0,0|1,0,2]=4 2342 B9R0.2 C#CCNCCNC(=O)C 2230a_100000209853_100000038162 [0,1,0,0,0,0|1,0,2]=4 2343 B9R0.2 C#CCNCCOC(=O)C 34a_100000212058_100009814007 [0,1,0,0,0,0|1,0,2]=4 2344 B9R0.2 C#CCOCCCC(=O)C 34a_100000210247_100000685027 [0,1,0,0,0,0|0,0,2]=3 2345 B9R0.2 C#CCOCCCC(=O)C 34a_100000759063_100000184674 [0,1,0,0,0,0|0,0,2]=3 2346 B9R0.2 C#CCOCCCC(=O)C 7a_100000759063_100000038162 [0,1,0,0,0,0|0,0,2]=3 2347 B9R0.2 C#CCOCCCC(=O)N 34a_100000210247_100102525003 [0,1,0,0,0,0|1,0,2]=4 2348 B9R0.2 C#CCOCCNC(=O)C 11a_100000700922_100015343762 [0,1,0,0,0,0|1,0,2]=4 2349 B9R0.2 C#CCOCCNC(=O)C 1626a_100000700922_100015343762 [0,1,0,0,0,0|1,0,2]=4 2350 B9R0.2 C#CCOCCNC(=O)C 240690a_100000700922_100015343762 [0,1,0,0,0,0|1,0,2]=4 2351 B9R0.2 C#CCOCCNC(=O)C 34a_100000158858_100000184674 [0,1,0,0,0,0|1,0,2]=4 2352 B9R0.2 C#CCOCCNC(=O)C 527a_100000700922_100103153847 [0,1,0,0,0,0|1,0,2]=4 2353 B9R0.2 C#CCOCCOC(=O)C 34a_100000210247_100009814007 [0,1,0,0,0,0|1,0,2]=4 2354 B9R0.2 C#CCSCCCC(=O)C 62a_100000038162_100011215641 [0,1,0,0,0,0|0,0,2]=3 2355 B9R0.2 C#CCSCCCC(=O)N 62a_100000038162_100102525003 [0,1,0,0,0,0|1,0,2]=4 2356 B9R0.2 C#CCSCCNC(=O)C 62a_100000038162_100000189650 [0,1,0,0,0,0|1,0,2]=4 2357 B9R0.2 C#CCSCCOC(=O)C 62a_100000038162_100009814007 [0,1,0,0,0,0|1,0,2]=4 2358 B9R0.2 C/C=C/CCOCC(=O)N 34a_100016278192_100000187820 [0,1,0,0,0,0|1,0,2]=4 2359 B9R0.2 C/C=C/CCOCC(=O)[O-] 34a_100016278192_100020667443 [0,1,0,0,0,0|1,0,2]=4 2360 B9R0.2 C/C=C/COCCC(=O)C 34a_100000759926_100102629194 [0,1,0,0,0,0|0,0,2]=3 2361 B9R0.2 C/C=C/COCCC(=O)C 7a_100000759926_100102629194 [0,1,0,0,0,0|0,0,2]=3 2362 B9R0.2 C/C=C/COCCC(=O)N 34a_100000757172_100102629194 [0,1,0,0,0,0|1,0,2]=4 2363 B9R0.2 C/C=C/COCCC(=O)N 34a_100016270725_100000731001 [0,1,0,0,0,0|1,0,2]=4 2364 B9R0.2 C/C=C/COCCC(=O)N 7a_100000757172_100102629194 [0,1,0,0,0,0|1,0,2]=4 2365 B9R0.2 C/C=C/COCOC(=O)C 34a_100016270725_100009813279 [0,1,0,0,0,0|1,0,2]=4 2366 B9R0.2 C/C=C/CSCCC(=O)C 62a_100000053229_100102629194 [0,1,0,0,0,0|0,0,2]=3 2367 B9R0.2 C/C=C/CSCCC(=O)C 62a_100102629194_100000053229 [0,1,0,0,0,0|0,0,2]=3 2368 B9R0.2 C/C=C/CSCCC(=O)N 62a_100000744528_100102629194 [0,1,0,0,0,0|1,0,2]=4 2369 B9R0.2 C/C=C/CSCCC(=O)N 62a_100102629194_100000744528 [0,1,0,0,0,0|1,0,2]=4 2370 B9R0.2 C/C=C/CSCOC(=O)C 62a_100000076356_100102629194 [0,1,0,0,0,0|1,0,2]=4 2371 B9R0.2 C/C=C/CSCOC(=O)C 62a_100102629194_100000076356 [0,1,0,0,0,0|1,0,2]=4 2372 B9R0.2 C=C(Br)CCOCCCC 34a_100009813270_100000210210 [0,1,0,0,0,0|1,0,1]=3 2373 B9R0.2 C=C(Br)CCOCCCF 34a_100009813270_100011934791 [0,1,0,0,0,0|2,0,1]=4 2374 B9R0.2 C=C(Br)CCOCCCO 34a_100009813270_100000230001 [0,1,0,0,0,0|2,0,1]=4 2375 B9R0.2 C=C(Br)CCOCCOC 34a_100009813270_100011201679 [0,1,0,0,0,0|2,0,1]=4 2376 B9R0.2 C=C(Br)CCOCCSC 34a_100009813270_100000212216 [0,1,0,0,0,0|2,0,1]=4 2377 B9R0.2 C=C(C)C=NNCCCC 4a_100025702795_100000210575 [0,1,0,0,0,0|2,0,1]=4 2378 B9R0.2 C=C(C)CCNCC#CC 2230a_100000685387_100000730704 [0,1,0,0,0,0|1,0,2]=4 2379 B9R0.2 C=C(C)CCNCC#CC 34a_100000685387_100000730704 [0,1,0,0,0,0|1,0,2]=4 2380 B9R0.2 C=C(C)CCNCCCC 2230a_100000102301_100000730704 [0,1,0,0,0,0|1,0,0]=2 2381 B9R0.2 C=C(C)CCNCCCC 7a_106832991798_100000730704 [0,1,0,0,0,0|1,0,0]=2 2382 B9R0.2 C=C(C)CCNCCCF 2230a_100015189416_100000730704 [0,1,0,0,0,0|2,0,0]=3 2383 B9R0.2 C=C(C)CCNCCCF 34a_100015189416_100000730704 [0,1,0,0,0,0|2,0,0]=3 2384 B9R0.2 C=C(C)CCNCCOC 2230a_100000209980_100000730704 [0,1,0,0,0,0|2,0,0]=3 2385 B9R0.2 C=C(C)CCNCCSC 2230a_100020590264_100000730704 [0,1,0,0,0,0|2,0,0]=3 2386 B9R0.2 C=C(C)CCOC/C=C/C 34a_100000764851_100102629194 [0,1,0,0,0,0|1,0,2]=4 2387 B9R0.2 C=C(C)CCOC/C=C/C 34a_100016270725_100000730704 [0,1,0,0,0,0|1,0,2]=4 2388 B9R0.2 C=C(C)CCOCC#CC 34a_100000761923_100000730704 [0,1,0,0,0,0|1,0,2]=4 2389 B9R0.2 C=C(C)CCOCC#CC 34a_100000764851_100000748600 [0,1,0,0,0,0|1,0,2]=4 2390 B9R0.2 C=C(C)CCOCC=CC 34a_100000764851_100000070051 [0,1,0,0,0,0|1,0,2]=4 2391 B9R0.2 C=C(C)CCOCCCBr 34a_100011217188_100000730704 [0,1,0,0,0,0|2,0,0]=3 2392 B9R0.2 C=C(C)CCOCCCC 34a_100000210227_100000730704 [0,1,0,0,0,0|1,0,0]=2 2393 B9R0.2 C=C(C)CCOCCCC 34a_100000764851_100000210210 [0,1,0,0,0,0|1,0,0]=2 2394 B9R0.2 C=C(C)CCOCCCC 7a_100000210227_100000730704 [0,1,0,0,0,0|1,0,0]=2 2395 B9R0.2 C=C(C)CCOCCCCl 34a_100000230001_100000730704 [0,1,0,0,0,0|2,0,0]=3 2396 B9R0.2 C=C(C)CCOCCCF 34a_100000759539_100000730704 [0,1,0,0,0,0|2,0,0]=3 2397 B9R0.2 C=C(C)CCOCCCF 34a_100000764851_100011934791 [0,1,0,0,0,0|2,0,0]=3 2398 B9R0.2 C=C(C)CCOCCCN 34a_100000182051_100000730704 [0,1,0,0,0,0|2,0,0]=3 2399 B9R0.2 C=C(C)CCOCCCO 34a_100000764851_100000230001 [0,1,0,0,0,0|2,0,0]=3 2400 B9R0.2 C=C(C)CCOCCOC 34a_100000210237_100000730704 [0,1,0,0,0,0|2,0,0]=3 2401 B9R0.2 C=C(C)CCOCCOC 34a_100000764851_100011201679 [0,1,0,0,0,0|2,0,0]=3 2402 B9R0.2 C=C(C)CCOCCON 34a_100000700252_100000730704 [0,1,0,0,0,0|3,0,0]=4 2403 B9R0.2 C=C(C)CCOCCSC 34a_100000230434_100000730704 [0,1,0,0,0,0|2,0,0]=3 2404 B9R0.2 C=C(C)CCOCCSC 34a_100000764851_100000212216 [0,1,0,0,0,0|2,0,0]=3 2405 B9R0.2 C=C(C)CCOCCSC 7a_100000230434_100000730704 [0,1,0,0,0,0|2,0,0]=3 2406 B9R0.2 C=C(C)CCSC/C=C/C 62a_100000730704_100102629194 [0,1,0,0,0,0|1,0,2]=4 2407 B9R0.2 C=C(C)CCSC/C=C/C 62a_100102629194_100000730704 [0,1,0,0,0,0|1,0,2]=4 2408 B9R0.2 C=C(C)CCSCC#CC 62a_100000730704_100000748600 [0,1,0,0,0,0|1,0,2]=4 2409 B9R0.2 C=C(C)CCSCC#CC 62a_100000748600_100000730704 [0,1,0,0,0,0|1,0,2]=4 2410 B9R0.2 C=C(C)CCSCC=CC 62a_100000070051_100000730704 [0,1,0,0,0,0|1,0,2]=4 2411 B9R0.2 C=C(C)CCSCC=CC 62a_100000730704_100000070051 [0,1,0,0,0,0|1,0,2]=4 2412 B9R0.2 C=C(C)CCSCCC#N 62a_100000730704_100011215226 [0,1,0,0,0,0|2,0,1]=4 2413 B9R0.2 C=C(C)CCSCCC#N 62a_100011215226_100000730704 [0,1,0,0,0,0|2,0,1]=4 2414 B9R0.2 C=C(C)CCSCCCC 62a_100000210211_100000730704 [0,1,0,0,0,0|1,0,0]=2 2415 B9R0.2 C=C(C)CCSCCCC 62a_100000730704_100000210210 [0,1,0,0,0,0|1,0,0]=2 2416 B9R0.2 C=C(C)CCSCCCF 62a_100000730704_100011934791 [0,1,0,0,0,0|2,0,0]=3 2417 B9R0.2 C=C(C)CCSCCCF 62a_100011934791_100000730704 [0,1,0,0,0,0|2,0,0]=3 2418 B9R0.2 C=C(C)CCSCCCO 62a_100000730704_100011215043 [0,1,0,0,0,0|2,0,0]=3 2419 B9R0.2 C=C(C)CCSCCCO 62a_100011215043_100000730704 [0,1,0,0,0,0|2,0,0]=3 2420 B9R0.2 C=C(C)CCSCCOC 62a_100000233755_100000730704 [0,1,0,0,0,0|2,0,0]=3 2421 B9R0.2 C=C(C)CCSCCOC 62a_100000730704_100000233755 [0,1,0,0,0,0|2,0,0]=3 2422 B9R0.2 C=C(C)CCSCCSC 62a_100000212216_100000730704 [0,1,0,0,0,0|2,0,0]=3 2423 B9R0.2 C=C(C)CCSCCSC 62a_100000730704_100000751147 [0,1,0,0,0,0|2,0,0]=3 2424 B9R0.2 C=C(C)CCSCOCC 62a_100000730704_100000739092 [0,1,0,0,0,0|2,0,0]=3 2425 B9R0.2 C=C(C)CCSCOCC 62a_100000739092_100000730704 [0,1,0,0,0,0|2,0,0]=3 2426 B9R0.2 C=C(C)CNCCCCC 2230a_100000209983_100000748629 [0,1,0,0,0,0|1,0,0]=2 2427 B9R0.2 C=C(C)CNCCCCO 2230a_100000750430_100000748629 [0,1,0,0,0,0|2,0,0]=3 2428 B9R0.2 C=C(C)CNCCCCO 34a_100000750430_100000748629 [0,1,0,0,0,0|2,0,0]=3 2429 B9R0.2 C=C(C)CNCCCOC 34a_100150723488_100000748629 [0,1,0,0,0,0|2,0,0]=3 2430 B9R0.2 C=C(C)CNCCCSC 2230a_100000749238_100000748629 [0,1,0,0,0,0|2,0,0]=3 2431 B9R0.2 C=C(C)CNCCOCC 2230a_102516460346_100000748629 [0,1,0,0,0,0|2,0,0]=3 2432 B9R0.2 C=C(C)CNCCOCC 34a_102516460346_100000748629 [0,1,0,0,0,0|2,0,0]=3 2433 B9R0.2 C=C(C)CNCCSCC 2230a_100000106463_100000748629 [0,1,0,0,0,0|2,0,0]=3 2434 B9R0.2 C=C(C)COC/C=C\CC 34a_100000210245_100103147603 [0,1,0,0,0,0|1,0,2]=4 2435 B9R0.2 C=C(C)COC/C=C\CC 34a_100016268518_100000748629 [0,1,0,0,0,0|1,0,2]=4 2436 B9R0.2 C=C(C)COCC#CCC 34a_100000032950_100000748629 [0,1,0,0,0,0|1,0,2]=4 2437 B9R0.2 C=C(C)COCC#CCC 34a_100000210245_100009813939 [0,1,0,0,0,0|1,0,2]=4 2438 B9R0.2 C=C(C)COCC/C=C/C 34a_100016278192_100000748629 [0,1,0,0,0,0|1,0,2]=4 2439 B9R0.2 C=C(C)COCCC#CC 34a_100000750427_100000748629 [0,1,0,0,0,0|1,0,2]=4 2440 B9R0.2 C=C(C)COCCCCBr 34a_100011216708_100000748629 [0,1,0,0,0,0|2,0,0]=3 2441 B9R0.2 C=C(C)COCCCCC 34a_100000210245_100000718602 [0,1,0,0,0,0|1,0,0]=2 2442 B9R0.2 C=C(C)COCCCCC 34a_100000210253_100000748629 [0,1,0,0,0,0|1,0,0]=2 2443 B9R0.2 C=C(C)COCCCCC 7a_100000210253_100000748629 [0,1,0,0,0,0|1,0,0]=2 2444 B9R0.2 C=C(C)COCCCCCl 34a_100000210776_100000748629 [0,1,0,0,0,0|2,0,0]=3 2445 B9R0.2 C=C(C)COCCCCCl 7a_100000210776_100000748629 [0,1,0,0,0,0|2,0,0]=3 2446 B9R0.2 C=C(C)COCCCCF 34a_100000210245_100000729493 [0,1,0,0,0,0|2,0,0]=3 2447 B9R0.2 C=C(C)COCCCCF 34a_100011995726_100000748629 [0,1,0,0,0,0|2,0,0]=3 2448 B9R0.2 C=C(C)COCCCCF 7a_100011995726_100000748629 [0,1,0,0,0,0|2,0,0]=3 2449 B9R0.2 C=C(C)COCCCCI 34a_200012148704_100000748629 [0,1,0,0,0,0|2,0,0]=3 2450 B9R0.2 C=C(C)COCCCCN 34a_100000750430_100000748629 [0,1,0,0,0,0|2,0,0]=3 2451 B9R0.2 C=C(C)COCCCCO 34a_100000210245_100011216708 [0,1,0,0,0,0|2,0,0]=3 2452 B9R0.2 C=C(C)COCCCNC 34a_100000213112_100000748629 [0,1,0,0,0,0|2,0,0]=3 2453 B9R0.2 C=C(C)COCCCOC 34a_100000210245_100000740836 [0,1,0,0,0,0|2,0,0]=3 2454 B9R0.2 C=C(C)COCCCOC 34a_100000740835_100000748629 [0,1,0,0,0,0|2,0,0]=3 2455 B9R0.2 C=C(C)COCCCSC 34a_100000690336_100000748629 [0,1,0,0,0,0|2,0,0]=3 2456 B9R0.2 C=C(C)COCCCSC 7a_100000690336_100000748629 [0,1,0,0,0,0|2,0,0]=3 2457 B9R0.2 C=C(C)COCCOCC 34a_100000210136_100000748629 [0,1,0,0,0,0|2,0,0]=3 2458 B9R0.2 C=C(C)COCCOCC 34a_100000210245_100000210147 [0,1,0,0,0,0|2,0,0]=3 2459 B9R0.2 C=C(C)COCCOCC 7a_100000210136_100000748629 [0,1,0,0,0,0|2,0,0]=3 2460 B9R0.2 C=C(C)COCCSCC 34a_100000210245_100000757381 [0,1,0,0,0,0|2,0,0]=3 2461 B9R0.2 C=C(C)COCCSCC 34a_100000212035_100000748629 [0,1,0,0,0,0|2,0,0]=3 2462 B9R0.2 C=C(C)COCCSCC 7a_100000212035_100000748629 [0,1,0,0,0,0|2,0,0]=3 2463 B9R0.2 C=C(C)CSC/C=C\CC 62a_100000748629_100103147603 [0,1,0,0,0,0|1,0,2]=4 2464 B9R0.2 C=C(C)CSC/C=C\CC 62a_100103147603_100000211660 [0,1,0,0,0,0|1,0,2]=4 2465 B9R0.2 C=C(C)CSCC#CCC 62a_100000748629_100009813939 [0,1,0,0,0,0|1,0,2]=4 2466 B9R0.2 C=C(C)CSCC#CCC 62a_100009813939_100000211660 [0,1,0,0,0,0|1,0,2]=4 2467 B9R0.2 C=C(C)CSCCCC#N 62a_100000687738_100000211660 [0,1,0,0,0,0|2,0,1]=4 2468 B9R0.2 C=C(C)CSCCCC#N 62a_100000748629_100000687738 [0,1,0,0,0,0|2,0,1]=4 2469 B9R0.2 C=C(C)CSCCCC=O 62a_100000748629_200011292268 [0,1,0,0,0,0|2,0,1]=4 2470 B9R0.2 C=C(C)CSCCCC=O 62a_200011292268_100000211660 [0,1,0,0,0,0|2,0,1]=4 2471 B9R0.2 C=C(C)CSCCCCC 62a_100000210326_100000211660 [0,1,0,0,0,0|1,0,0]=2 2472 B9R0.2 C=C(C)CSCCCCC 62a_100000748629_100000210326 [0,1,0,0,0,0|1,0,0]=2 2473 B9R0.2 C=C(C)CSCCCCF 62a_100000729493_100000211660 [0,1,0,0,0,0|2,0,0]=3 2474 B9R0.2 C=C(C)CSCCCCF 62a_100000748629_100000729493 [0,1,0,0,0,0|2,0,0]=3 2475 B9R0.2 C=C(C)CSCCCCO 62a_100000210776_100000211660 [0,1,0,0,0,0|2,0,0]=3 2476 B9R0.2 C=C(C)CSCCCCO 62a_100000748629_100000210776 [0,1,0,0,0,0|2,0,0]=3 2477 B9R0.2 C=C(C)CSCCCOC 62a_100000709357_100000211660 [0,1,0,0,0,0|2,0,0]=3 2478 B9R0.2 C=C(C)CSCCCOC 62a_100000748629_100000709357 [0,1,0,0,0,0|2,0,0]=3 2479 B9R0.2 C=C(C)CSCCOCC 62a_100000210147_100000211660 [0,1,0,0,0,0|2,0,0]=3 2480 B9R0.2 C=C(C)CSCCOCC 62a_100000748629_100011215890 [0,1,0,0,0,0|2,0,0]=3 2481 B9R0.2 C=C(C)CSCCSCC 62a_100000748629_100000757381 [0,1,0,0,0,0|2,0,0]=3 2482 B9R0.2 C=C(C)CSCCSCC 62a_100000757381_100000211660 [0,1,0,0,0,0|2,0,0]=3 2483 B9R0.2 C=C(F)CNCCCCC 2230a_100000209983_100009893438 [0,1,0,0,0,0|1,0,1]=3 2484 B9R0.2 C=C(F)CNCCCCO 2230a_100000750430_100009893438 [0,1,0,0,0,0|2,0,1]=4 2485 B9R0.2 C=C(F)CNCCCCO 34a_100000750430_100009893438 [0,1,0,0,0,0|2,0,1]=4 2486 B9R0.2 C=C(F)CNCCCOC 34a_100150723488_100009893438 [0,1,0,0,0,0|2,0,1]=4 2487 B9R0.2 C=C(F)CNCCCSC 2230a_100000749238_100009893438 [0,1,0,0,0,0|2,0,1]=4 2488 B9R0.2 C=C(F)CNCCOCC 2230a_102516460346_100009893438 [0,1,0,0,0,0|2,0,1]=4 2489 B9R0.2 C=C(F)CNCCOCC 34a_102516460346_100009893438 [0,1,0,0,0,0|2,0,1]=4 2490 B9R0.2 C=C(F)CNCCSCC 2230a_100000106463_100009893438 [0,1,0,0,0,0|2,0,1]=4 2491 B9R0.2 C=C(F)COCCCCBr 34a_100011216708_100009893438 [0,1,0,0,0,0|2,0,1]=4 2492 B9R0.2 C=C(F)COCCCCC 34a_100000210253_100009893438 [0,1,0,0,0,0|1,0,1]=3 2493 B9R0.2 C=C(F)COCCCCC 34a_200010262243_100000718602 [0,1,0,0,0,0|1,0,1]=3 2494 B9R0.2 C=C(F)COCCCCC 7a_100000210253_100000042424 [0,1,0,0,0,0|1,0,1]=3 2495 B9R0.2 C=C(F)COCCCCCl 34a_100000210776_100009893438 [0,1,0,0,0,0|2,0,1]=4 2496 B9R0.2 C=C(F)COCCCCCl 7a_100000210776_100000042424 [0,1,0,0,0,0|2,0,1]=4 2497 B9R0.2 C=C(F)COCCCCF 34a_100011995726_100009893438 [0,1,0,0,0,0|2,0,1]=4 2498 B9R0.2 C=C(F)COCCCCF 34a_200010262243_100000729493 [0,1,0,0,0,0|2,0,1]=4 2499 B9R0.2 C=C(F)COCCCCF 7a_100011995726_100000042424 [0,1,0,0,0,0|2,0,1]=4 2500 B9R0.2 C=C(F)COCCCCI 34a_200012148704_100009893438 [0,1,0,0,0,0|2,0,1]=4 2501 B9R0.2 C=C(F)COCCCCN 34a_100000750430_100009893438 [0,1,0,0,0,0|2,0,1]=4 2502 B9R0.2 C=C(F)COCCCCO 34a_200010262243_100011216708 [0,1,0,0,0,0|2,0,1]=4 2503 B9R0.2 C=C(F)COCCCNC 34a_100000213112_100009893438 [0,1,0,0,0,0|2,0,1]=4 2504 B9R0.2 C=C(F)COCCCOC 34a_100000740835_100009893438 [0,1,0,0,0,0|2,0,1]=4 2505 B9R0.2 C=C(F)COCCCOC 34a_200010262243_100000740836 [0,1,0,0,0,0|2,0,1]=4 2506 B9R0.2 C=C(F)COCCCSC 34a_100000690336_100009893438 [0,1,0,0,0,0|2,0,1]=4 2507 B9R0.2 C=C(F)COCCCSC 7a_100000690336_100000042424 [0,1,0,0,0,0|2,0,1]=4 2508 B9R0.2 C=C(F)COCCOCC 34a_100000210136_100009893438 [0,1,0,0,0,0|2,0,1]=4 2509 B9R0.2 C=C(F)COCCOCC 34a_200010262243_100000210147 [0,1,0,0,0,0|2,0,1]=4 2510 B9R0.2 C=C(F)COCCOCC 7a_100000210136_100000042424 [0,1,0,0,0,0|2,0,1]=4 2511 B9R0.2 C=C(F)COCCSCC 34a_100000212035_100009893438 [0,1,0,0,0,0|2,0,1]=4 2512 B9R0.2 C=C(F)COCCSCC 34a_200010262243_100000757381 [0,1,0,0,0,0|2,0,1]=4 2513 B9R0.2 C=C(F)COCCSCC 7a_100000212035_100000042424 [0,1,0,0,0,0|2,0,1]=4 2514 B9R0.2 C=C(F)CSCCCCC 62a_100000042424_100000210326 [0,1,0,0,0,0|1,0,1]=3 2515 B9R0.2 C=C(F)CSCCCCC 62a_100000210326_100000042424 [0,1,0,0,0,0|1,0,1]=3 2516 B9R0.2 C=C(F)CSCCCCF 62a_100000042424_100000729493 [0,1,0,0,0,0|2,0,1]=4 2517 B9R0.2 C=C(F)CSCCCCF 62a_100000729493_100000042424 [0,1,0,0,0,0|2,0,1]=4 2518 B9R0.2 C=C(F)CSCCCCO 62a_100000042424_100000210776 [0,1,0,0,0,0|2,0,1]=4 2519 B9R0.2 C=C(F)CSCCCCO 62a_100000210776_100000042424 [0,1,0,0,0,0|2,0,1]=4 2520 B9R0.2 C=C(F)CSCCCOC 62a_100000042424_100000709357 [0,1,0,0,0,0|2,0,1]=4 2521 B9R0.2 C=C(F)CSCCCOC 62a_100000709357_100000042424 [0,1,0,0,0,0|2,0,1]=4 2522 B9R0.2 C=C(F)CSCCOCC 62a_100000042424_100011215890 [0,1,0,0,0,0|2,0,1]=4 2523 B9R0.2 C=C(F)CSCCOCC 62a_100000210147_100000042424 [0,1,0,0,0,0|2,0,1]=4 2524 B9R0.2 C=C(F)CSCCSCC 62a_100000042424_100000757381 [0,1,0,0,0,0|2,0,1]=4 2525 B9R0.2 C=C(F)CSCCSCC 62a_100000757381_100000042424 [0,1,0,0,0,0|2,0,1]=4 2526 B9R0.2 C=CCCCCCC(=O)C 1458a_100000070787_100000700193 [0,1,0,0,0,0|0,0,1]=2 2527 B9R0.2 C=CCCCCCC(=O)C 1458a_100011934241_200000210301 [0,1,0,0,0,0|0,0,1]=2 2528 B9R0.2 C=CCCCCCC(=O)[13CH3] 1458a_100011934241_200025704644 [0,1,0,0,0,0|0,0,1]=2 2529 B9R0.2 C=CCCCCCN(C)C 2230a_100102631434_100000700193 [0,1,0,0,0,0|2,0,1]=4 2530 B9R0.2 C=CCCCCCN(C)C 269982a_100102631434_100000700193 [0,1,0,0,0,0|2,0,1]=4 2531 B9R0.2 C=CCCCCNC(=O)C 11a_100000703577_100015343762 [0,1,0,0,0,0|0,0,2]=3 2532 B9R0.2 C=CCCCCNC(=O)C 1626a_100000703577_100015343762 [0,1,0,0,0,0|0,0,2]=3 2533 B9R0.2 C=CCCCCNC(=O)C 240690a_100000703577_100015343762 [0,1,0,0,0,0|0,0,2]=3 2534 B9R0.2 C=CCCCCNC(=O)C 527a_100000703577_100103153847 [0,1,0,0,0,0|0,0,2]=3 2535 B9R0.2 C=CCCCNCC(=C)C 2230a_100000700776_100000748629 [0,1,0,0,0,0|1,0,2]=4 2536 B9R0.2 C=CCCCNCC(=C)C 34a_100000700776_100000748629 [0,1,0,0,0,0|1,0,2]=4 2537 B9R0.2 C=CCCCNCC(=O)N 2230a_100000700776_100000747473 [0,1,0,0,0,0|1,0,2]=4 2538 B9R0.2 C=CCCCNCC(=O)N 2230a_100000711301_100011713584 [0,1,0,0,0,0|1,0,2]=4 2539 B9R0.2 C=CCCCNCC(=O)N 34a_100000700776_100000187820 [0,1,0,0,0,0|1,0,2]=4 2540 B9R0.2 C=CCCCNCC(=O)O 269956a_100016091260_100011713584 [0,1,0,0,0,0|1,0,2]=4 2541 B9R0.2 C=CCCCNCC(=O)[O-] 34a_100000700776_100020667443 [0,1,0,0,0,0|1,0,2]=4 2542 B9R0.2 C=CCCCOCC(=C)C 34a_100000210245_100000757094 [0,1,0,0,0,0|1,0,2]=4 2543 B9R0.2 C=CCCCOCC(=C)C 34a_100000758997_100000748629 [0,1,0,0,0,0|1,0,2]=4 2544 B9R0.2 C=CCCCOCC(=C)C 7a_100000758997_100000748629 [0,1,0,0,0,0|1,0,2]=4 2545 B9R0.2 C=CCCCOCC(=O)C 34a_100000211253_100000757094 [0,1,0,0,0,0|0,0,2]=3 2546 B9R0.2 C=CCCCOCC(=O)N 34a_100000758997_100000187820 [0,1,0,0,0,0|1,0,2]=4 2547 B9R0.2 C=CCCCOCC(=O)N 7a_100000758997_100000187820 [0,1,0,0,0,0|1,0,2]=4 2548 B9R0.2 C=CCCCOCC(=O)[O-] 34a_100000758997_100020667443 [0,1,0,0,0,0|1,0,2]=4 2549 B9R0.2 C=CCCCSCC(=C)C 62a_100000748629_100000757094 [0,1,0,0,0,0|1,0,2]=4 2550 B9R0.2 C=CCCCSCC(=C)C 62a_100011713584_100000211660 [0,1,0,0,0,0|1,0,2]=4 2551 B9R0.2 C=CCCCSCC(=O)N 62a_100000747473_100000757094 [0,1,0,0,0,0|1,0,2]=4 2552 B9R0.2 C=CCCCSCC(=O)N 62a_100011713584_100000747473 [0,1,0,0,0,0|1,0,2]=4 2553 B9R0.2 C=CCCCSCC(=O)[O-] 62a_100011713584_100020667443 [0,1,0,0,0,0|1,0,2]=4 2554 B9R0.2 C=CCCCSCC(=O)[O-] 62a_100020667443_100000757094 [0,1,0,0,0,0|1,0,2]=4 2555 B9R0.2 C=CCCNCCC(=C)C 2230a_100015191253_100000730704 [0,1,0,0,0,0|1,0,2]=4 2556 B9R0.2 C=CCCNCCC(=O)N 2230a_100015191253_100000744528 [0,1,0,0,0,0|1,0,2]=4 2557 B9R0.2 C=CCCOCCC(=C)C 34a_100000764851_100000754431 [0,1,0,0,0,0|1,0,2]=4 2558 B9R0.2 C=CCCOCCC(=C)C 34a_100011205117_100000730704 [0,1,0,0,0,0|1,0,2]=4 2559 B9R0.2 C=CCCOCCC(=O)C 34a_100000759926_100000754431 [0,1,0,0,0,0|0,0,2]=3 2560 B9R0.2 C=CCCOCCC(=O)C 7a_100000759926_100000754431 [0,1,0,0,0,0|0,0,2]=3 2561 B9R0.2 C=CCCOCCC(=O)N 34a_100000757172_100000754431 [0,1,0,0,0,0|1,0,2]=4 2562 B9R0.2 C=CCCOCCC(=O)N 34a_100011205117_100000731001 [0,1,0,0,0,0|1,0,2]=4 2563 B9R0.2 C=CCCOCCC(=O)N 7a_100000757172_100000754431 [0,1,0,0,0,0|1,0,2]=4 2564 B9R0.2 C=CCCOCOC(=O)C 34a_100011205117_100009813279 [0,1,0,0,0,0|1,0,2]=4 2565 B9R0.2 C=CCCSCCC(=C)C 62a_100000730704_100000754431 [0,1,0,0,0,0|1,0,2]=4 2566 B9R0.2 C=CCCSCCC(=C)C 62a_100000754431_100000730704 [0,1,0,0,0,0|1,0,2]=4 2567 B9R0.2 C=CCCSCCC(=O)C 62a_100000053229_100000754431 [0,1,0,0,0,0|0,0,2]=3 2568 B9R0.2 C=CCCSCCC(=O)C 62a_100000754431_100000053229 [0,1,0,0,0,0|0,0,2]=3 2569 B9R0.2 C=CCCSCCC(=O)N 62a_100000744528_100000754431 [0,1,0,0,0,0|1,0,2]=4 2570 B9R0.2 C=CCCSCCC(=O)N 62a_100000754431_100000744528 [0,1,0,0,0,0|1,0,2]=4 2571 B9R0.2 C=CCCSCOC(=O)C 62a_100000076356_100000754431 [0,1,0,0,0,0|1,0,2]=4 2572 B9R0.2 C=CCCSCOC(=O)C 62a_100000754431_100000076356 [0,1,0,0,0,0|1,0,2]=4 2573 B9R0.2 C=CCNCCCC(=O)N 34a_100000739312_100015514636 [0,1,0,0,0,0|1,0,2]=4 2574 B9R0.2 C=CCNCCCS(=O)C 2230a_200000753449_100000210623 [0,1,0,0,0,0|1,0,2]=4 2575 B9R0.2 C=CCNCCNC(=O)C 2230a_100000209853_100000210623 [0,1,0,0,0,0|1,0,2]=4 2576 B9R0.2 C=CCNCCNC(=O)C 2230a_100020586998_100000189650 [0,1,0,0,0,0|1,0,2]=4 2577 B9R0.2 C=CCOCCCC(=O)C 34a_100000759063_100015514636 [0,1,0,0,0,0|0,0,2]=3 2578 B9R0.2 C=CCOCCCC(=O)C 34a_200000210373_100000685027 [0,1,0,0,0,0|0,0,2]=3 2579 B9R0.2 C=CCOCCCC(=O)C 7a_100000759063_100015514636 [0,1,0,0,0,0|0,0,2]=3 2580 B9R0.2 C=CCOCCCC(=O)N 34a_200000210373_100102525003 [0,1,0,0,0,0|1,0,2]=4 2581 B9R0.2 C=CCOCCNC(=O)C 34a_100000158858_100015514636 [0,1,0,0,0,0|1,0,2]=4 2582 B9R0.2 C=CCOCCOC(=O)C 34a_200000210373_100009814007 [0,1,0,0,0,0|1,0,2]=4 2583 B9R0.2 C=CCSCCCC(=O)C 62a_100000210623_100011215641 [0,1,0,0,0,0|0,0,2]=3 2584 B9R0.2 C=CCSCCCC(=O)C 62a_100011215641_100000210623 [0,1,0,0,0,0|0,0,2]=3 2585 B9R0.2 C=CCSCCCC(=O)N 62a_100000210623_100102525003 [0,1,0,0,0,0|1,0,2]=4 2586 B9R0.2 C=CCSCCCC(=O)N 62a_100102525003_100000210623 [0,1,0,0,0,0|1,0,2]=4 2587 B9R0.2 C=CCSCCNC(=O)C 62a_100000189650_100000210623 [0,1,0,0,0,0|1,0,2]=4 2588 B9R0.2 C=CCSCCNC(=O)C 62a_100000210623_100000189650 [0,1,0,0,0,0|1,0,2]=4 2589 B9R0.2 C=CCSCCOC(=O)C 62a_100000210623_100009814007 [0,1,0,0,0,0|1,0,2]=4 2590 B9R0.2 C=CCSCCOC(=O)C 62a_100009814007_100000210623 [0,1,0,0,0,0|1,0,2]=4 2591 B9R0.2 C=COCCCNC(=O)C 11a_100000210767_100015343762 [0,1,0,0,0,0|1,0,2]=4 2592 B9R0.2 C=COCCCNC(=O)C 1626a_100000210767_100015343762 [0,1,0,0,0,0|1,0,2]=4 2593 B9R0.2 C=COCCCNC(=O)C 240690a_100000210767_100015343762 [0,1,0,0,0,0|1,0,2]=4 2594 B9R0.2 C=COCCCNC(=O)C 527a_100000210767_100103153847 [0,1,0,0,0,0|1,0,2]=4 2595 B9R0.2 C=COCCOCC(=O)C 34a_100000211253_100000039644 [0,1,0,0,0,0|1,0,2]=4 2596 B9R0.2 CC#CCCOCC(=O)N 34a_100000750427_100000187820 [0,1,0,0,0,0|1,0,2]=4 2597 B9R0.2 CC#CCCOCC(=O)[O-] 34a_100000750427_100020667443 [0,1,0,0,0,0|1,0,2]=4 2598 B9R0.2 CC#CCNCCC(=O)N 2230a_100000685387_100000744528 [0,1,0,0,0,0|1,0,2]=4 2599 B9R0.2 CC#CCNCCC(=O)N 34a_100000685387_100000731001 [0,1,0,0,0,0|1,0,2]=4 2600 B9R0.2 CC#CCNCOC(=O)C 34a_100000685387_100009813279 [0,1,0,0,0,0|1,0,2]=4 2601 B9R0.2 CC#CCOCCC(=O)C 34a_100000759926_100000748600 [0,1,0,0,0,0|0,0,2]=3 2602 B9R0.2 CC#CCOCCC(=O)C 7a_100000759926_100000748600 [0,1,0,0,0,0|0,0,2]=3 2603 B9R0.2 CC#CCOCCC(=O)N 34a_100000757172_100000748600 [0,1,0,0,0,0|1,0,2]=4 2604 B9R0.2 CC#CCOCCC(=O)N 34a_100000761923_100000731001 [0,1,0,0,0,0|1,0,2]=4 2605 B9R0.2 CC#CCOCCC(=O)N 7a_100000757172_100000748600 [0,1,0,0,0,0|1,0,2]=4 2606 B9R0.2 CC#CCOCOC(=O)C 34a_100000761923_100009813279 [0,1,0,0,0,0|1,0,2]=4 2607 B9R0.2 CC#CCSCCC(=O)C 62a_100000053229_100000748600 [0,1,0,0,0,0|0,0,2]=3 2608 B9R0.2 CC#CCSCCC(=O)C 62a_100000748600_100000053229 [0,1,0,0,0,0|0,0,2]=3 2609 B9R0.2 CC#CCSCCC(=O)N 62a_100000744528_100000748600 [0,1,0,0,0,0|1,0,2]=4 2610 B9R0.2 CC#CCSCCC(=O)N 62a_100000748600_100000744528 [0,1,0,0,0,0|1,0,2]=4 2611 B9R0.2 CC#CCSCOC(=O)C 62a_100000076356_100000748600 [0,1,0,0,0,0|1,0,2]=4 2612 B9R0.2 CC#CCSCOC(=O)C 62a_100000748600_100000076356 [0,1,0,0,0,0|1,0,2]=4 2613 B9R0.2 CC(=CCCNCCF)C 34a_100000724931_100011217483 [0,1,0,0,0,0|2,0,1]=4 2614 B9R0.2 CC(=CCCNCCO)C 2230a_100016997473_100011217483 [0,1,0,0,0,0|2,0,1]=4 2615 B9R0.2 CC(=CCCNCCO)C 34a_100016990907_100011217483 [0,1,0,0,0,0|2,0,1]=4 2616 B9R0.2 CC(=CCCOCCBr)C 34a_100000211926_100011217483 [0,1,0,0,0,0|2,0,1]=4 2617 B9R0.2 CC(=CCCOCCN)C 34a_100000210304_100011217483 [0,1,0,0,0,0|2,0,1]=4 2618 B9R0.2 CC(=CCCSCCF)C 62a_100011217306_100011217483 [0,1,0,0,0,0|2,0,1]=4 2619 B9R0.2 CC(=CCCSCCF)C 62a_100011217483_100011217306 [0,1,0,0,0,0|2,0,1]=4 2620 B9R0.2 CC(=CCCSCCO)C 62a_100000211926_100011217483 [0,1,0,0,0,0|2,0,1]=4 2621 B9R0.2 CC(=CCCSCCO)C 62a_100011217483_100000211926 [0,1,0,0,0,0|2,0,1]=4 2622 B9R0.2 CC(=CCNCCCF)C 2230a_100015189416_100000761012 [0,1,0,0,0,0|2,0,1]=4 2623 B9R0.2 CC(=CCNCCCF)C 34a_100000718196_100011934791 [0,1,0,0,0,0|2,0,1]=4 2624 B9R0.2 CC(=CCNCCCF)C 34a_100015189416_100000761012 [0,1,0,0,0,0|2,0,1]=4 2625 B9R0.2 CC(=CCNCCCO)C 34a_100000718196_100000230001 [0,1,0,0,0,0|2,0,1]=4 2626 B9R0.2 CC(=CCOCCCBr)C 34a_100011217188_100000761012 [0,1,0,0,0,0|2,0,1]=4 2627 B9R0.2 CC(=CCOCCCCl)C 34a_100000230001_100000761012 [0,1,0,0,0,0|2,0,1]=4 2628 B9R0.2 CC(=CCOCCCF)C 34a_100000753907_100011934791 [0,1,0,0,0,0|2,0,1]=4 2629 B9R0.2 CC(=CCOCCCF)C 34a_100000759539_100000761012 [0,1,0,0,0,0|2,0,1]=4 2630 B9R0.2 CC(=CCOCCCN)C 34a_100000182051_100000761012 [0,1,0,0,0,0|2,0,1]=4 2631 B9R0.2 CC(=CCOCCCO)C 34a_100000753907_100000230001 [0,1,0,0,0,0|2,0,1]=4 2632 B9R0.2 CC(=CCSCCCF)C 62a_100000761012_100011934791 [0,1,0,0,0,0|2,0,1]=4 2633 B9R0.2 CC(=CCSCCCF)C 62a_100011934791_100000761012 [0,1,0,0,0,0|2,0,1]=4 2634 B9R0.2 CC(=CCSCCCO)C 62a_100000761012_100011215043 [0,1,0,0,0,0|2,0,1]=4 2635 B9R0.2 CC(=CCSCCCO)C 62a_100011215043_100000761012 [0,1,0,0,0,0|2,0,1]=4 2636 B9R0.2 CC(=O)CCCCCC#N 1458a_100000070787_100009813376 [0,1,0,0,0,0|0,0,1]=2 2637 B9R0.2 CC(=O)CCCCCCF 1458a_100000070787_100015922095 [0,1,0,0,0,0|0,0,0]=1 2638 B9R0.2 CC(=O)CCCCCCO 1458a_100000070787_100000766143 [0,1,0,0,0,0|0,0,0]=1 2639 B9R0.2 CC(=O)CCCCCCO 1458a_100011996774_200000210301 [0,1,0,0,0,0|0,0,0]=1 2640 B9R0.2 CC(=O)CCCCN=[N+]=[N-] 1458a_100000070148_200000210301 [0,1,0,0,0,0|2,0,0]=3 2641 B9R0.2 CC(=O)CCCCSCF 62a_100000735457_100015361967 [0,1,0,0,0,0|1,0,0]=2 2642 B9R0.2 CC(=O)CCCCSCF 62a_100015361967_100000735457 [0,1,0,0,0,0|1,0,0]=2 2643 B9R0.2 CC(=O)CCCNCCF 34a_100000724931_100000685027 [0,1,0,0,0,0|1,0,0]=2 2644 B9R0.2 CC(=O)CCCNCCO 34a_100016990907_100000685027 [0,1,0,0,0,0|1,0,0]=2 2645 B9R0.2 CC(=O)CCCOCC#N 7a_100000759063_100011215382 [0,1,0,0,0,0|1,0,1]=3 2646 B9R0.2 CC(=O)CCCOCC=O 34a_100000759063_200009817547 [0,1,0,0,0,0|1,0,1]=3 2647 B9R0.2 CC(=O)CCCOCC=O 7a_100000759063_200015260668 [0,1,0,0,0,0|1,0,1]=3 2648 B9R0.2 CC(=O)CCCOCCBr 34a_100000211926_100000685027 [0,1,0,0,0,0|1,0,0]=2 2649 B9R0.2 CC(=O)CCCOCCF 34a_100000759063_100011217306 [0,1,0,0,0,0|1,0,0]=2 2650 B9R0.2 CC(=O)CCCOCCF 7a_100000759063_100011217306 [0,1,0,0,0,0|1,0,0]=2 2651 B9R0.2 CC(=O)CCCOCCN 34a_100000210304_100000685027 [0,1,0,0,0,0|1,0,0]=2 2652 B9R0.2 CC(=O)CCCOCCO 34a_100000759063_100000211926 [0,1,0,0,0,0|1,0,0]=2 2653 B9R0.2 CC(=O)CCCOCCO 7a_100000759063_100000211926 [0,1,0,0,0,0|1,0,0]=2 2654 B9R0.2 CC(=O)CCCSCC#N 62a_100011215382_100011215641 [0,1,0,0,0,0|1,0,1]=3 2655 B9R0.2 CC(=O)CCCSCC#N 62a_100011215641_100011215382 [0,1,0,0,0,0|1,0,1]=3 2656 B9R0.2 CC(=O)CCCSCC=O 62a_100011215641_200015260668 [0,1,0,0,0,0|1,0,1]=3 2657 B9R0.2 CC(=O)CCCSCC=O 62a_200015260668_100011215641 [0,1,0,0,0,0|1,0,1]=3 2658 B9R0.2 CC(=O)CCCSCCF 62a_100011215641_100011217306 [0,1,0,0,0,0|1,0,0]=2 2659 B9R0.2 CC(=O)CCCSCCF 62a_100011217306_100011215641 [0,1,0,0,0,0|1,0,0]=2 2660 B9R0.2 CC(=O)CCCSCCO 62a_100000211926_100011215641 [0,1,0,0,0,0|1,0,0]=2 2661 B9R0.2 CC(=O)CCCSCCO 62a_100011215641_100000211926 [0,1,0,0,0,0|1,0,0]=2 2662 B9R0.2 CC(=O)CCOCCC#N 7a_100000759926_100000184422 [0,1,0,0,0,0|1,0,1]=3 2663 B9R0.2 CC(=O)CCOCCCF 34a_100000759926_100011934791 [0,1,0,0,0,0|1,0,0]=2 2664 B9R0.2 CC(=O)CCOCCCF 7a_100000759926_100011934791 [0,1,0,0,0,0|1,0,0]=2 2665 B9R0.2 CC(=O)CCOCCCO 34a_100000759926_100000230001 [0,1,0,0,0,0|1,0,0]=2 2666 B9R0.2 CC(=O)CCOCCCO 7a_100000759926_100011215043 [0,1,0,0,0,0|1,0,0]=2 2667 B9R0.2 CC(=O)CCSCCC#N 62a_100000053229_100011215226 [0,1,0,0,0,0|1,0,1]=3 2668 B9R0.2 CC(=O)CCSCCC#N 62a_100011215226_100000053229 [0,1,0,0,0,0|1,0,1]=3 2669 B9R0.2 CC(=O)CCSCCCF 62a_100000053229_100011934791 [0,1,0,0,0,0|1,0,0]=2 2670 B9R0.2 CC(=O)CCSCCCF 62a_100011934791_100000053229 [0,1,0,0,0,0|1,0,0]=2 2671 B9R0.2 CC(=O)CCSCCCO 62a_100000053229_100011215043 [0,1,0,0,0,0|1,0,0]=2 2672 B9R0.2 CC(=O)CCSCCCO 62a_100011215043_100000053229 [0,1,0,0,0,0|1,0,0]=2 2673 B9R0.2 CC(=O)CCSCSC#N 62a_100000053229_100000211825 [0,1,0,0,0,0|2,0,1]=4 2674 B9R0.2 CC(=O)CCSCSC#N 62a_100000211825_100000053229 [0,1,0,0,0,0|2,0,1]=4 2675 B9R0.2 CC(=O)COCC#CCO 34a_100000211253_200000047223 [0,1,0,0,0,0|1,0,2]=4 2676 B9R0.2 CC(=O)COCCCCF 34a_100000211253_100000729493 [0,1,0,0,0,0|1,0,0]=2 2677 B9R0.2 CC(=O)COCCCCO 34a_100000211253_100011216708 [0,1,0,0,0,0|1,0,0]=2 2678 B9R0.2 CC(=O)NCCCCC#N 11a_100000751965_100015343762 [0,1,0,0,0,0|1,0,1]=3 2679 B9R0.2 CC(=O)NCCCCC#N 1626a_100000751965_100015343762 [0,1,0,0,0,0|1,0,1]=3 2680 B9R0.2 CC(=O)NCCCCC#N 240690a_100000751965_100015343762 [0,1,0,0,0,0|1,0,1]=3 2681 B9R0.2 CC(=O)NCCCCC#N 527a_100000751965_100103153847 [0,1,0,0,0,0|1,0,1]=3 2682 B9R0.2 CC(=O)NCCCCCO 240690a_100000762737_100015343762 [0,1,0,0,0,0|1,0,0]=2 2683 B9R0.2 CC(=O)NCCCCN[13CH3] 2230a_200011368371_200025704644 [0,1,0,0,0,0|1,0,0]=2 2684 B9R0.2 CC(=O)NCCCCN[13CH3] 34a_200011368371_200025704644 [0,1,0,0,0,0|1,0,0]=2 2685 B9R0.2 CC(=O)NCCCN=[N+]=[N-] 240690a_100000744732_100015343762 [0,1,0,0,0,0|3,0,0]=4 2686 B9R0.2 CC(=O)NCCCNCF 34a_100000736810_100015361967 [0,1,0,0,0,0|2,0,0]=3 2687 B9R0.2 CC(=O)NCCCOCF 34a_100000752032_100015361967 [0,1,0,0,0,0|2,0,0]=3 2688 B9R0.2 CC(=O)NCCNCC#N 2230a_100000209853_100011215382 [0,1,0,0,0,0|2,0,1]=4 2689 B9R0.2 CC(=O)NCCNCC=O 2230a_100000209853_200015260668 [0,1,0,0,0,0|2,0,1]=4 2690 B9R0.2 CC(=O)NCCNCCF 2230a_100000209853_100011217306 [0,1,0,0,0,0|2,0,0]=3 2691 B9R0.2 CC(=O)NCCNCCO 2230a_100000209853_100000211926 [0,1,0,0,0,0|2,0,0]=3 2692 B9R0.2 CC(=O)NCCNCCO 2230a_100016997473_100000189650 [0,1,0,0,0,0|2,0,0]=3 2693 B9R0.2 CC(=O)NCCOCC=O 34a_100000158858_200009817547 [0,1,0,0,0,0|2,0,1]=4 2694 B9R0.2 CC(=O)NCCOCCF 34a_100000158858_100011217306 [0,1,0,0,0,0|2,0,0]=3 2695 B9R0.2 CC(=O)NCCOCCO 240690a_100000211614_100015343762 [0,1,0,0,0,0|2,0,0]=3 2696 B9R0.2 CC(=O)NCCOCCO 34a_100000158858_100000211926 [0,1,0,0,0,0|2,0,0]=3 2697 B9R0.2 CC(=O)NCCSCC#N 62a_100000189650_100011215382 [0,1,0,0,0,0|2,0,1]=4 2698 B9R0.2 CC(=O)NCCSCC#N 62a_100011215382_100000189650 [0,1,0,0,0,0|2,0,1]=4 2699 B9R0.2 CC(=O)NCCSCC=O 62a_100000189650_200015260668 [0,1,0,0,0,0|2,0,1]=4 2700 B9R0.2 CC(=O)NCCSCC=O 62a_200015260668_100000189650 [0,1,0,0,0,0|2,0,1]=4 2701 B9R0.2 CC(=O)NCCSCCF 62a_100000189650_100011217306 [0,1,0,0,0,0|2,0,0]=3 2702 B9R0.2 CC(=O)NCCSCCF 62a_100011217306_100000189650 [0,1,0,0,0,0|2,0,0]=3 2703 B9R0.2 CC(=O)NCCSCCO 240690a_100011219999_100015343762 [0,1,0,0,0,0|2,0,0]=3 2704 B9R0.2 CC(=O)NCCSCCO 527a_100011219999_100103153847 [0,1,0,0,0,0|2,0,0]=3 2705 B9R0.2 CC(=O)NCCSCCO 62a_100000189650_100000211926 [0,1,0,0,0,0|2,0,0]=3 2706 B9R0.2 CC(=O)NCCSCCO 62a_100000211926_100000189650 [0,1,0,0,0,0|2,0,0]=3 2707 B9R0.2 CC(=O)OCCCCO[13CH3] 34a_100000073216_200025704644 [0,1,0,0,0,0|1,0,0]=2 2708 B9R0.2 CC(=O)OCCCCO[13CH3] 7a_100000073216_200025704644 [0,1,0,0,0,0|1,0,0]=2 2709 B9R0.2 CC(=O)OCCCCS[13CH3] 62a_100000033659_200025704644 [0,1,0,0,0,0|1,0,0]=2 2710 B9R0.2 CC(=O)OCCCCS[13CH3] 62a_200025704644_100000033659 [0,1,0,0,0,0|1,0,0]=2 2711 B9R0.2 CC(=O)OCCCSCF 62a_100000042594_100015361967 [0,1,0,0,0,0|2,0,0]=3 2712 B9R0.2 CC(=O)OCCCSCF 62a_100015361967_100000042594 [0,1,0,0,0,0|2,0,0]=3 2713 B9R0.2 CC(=O)OCCNCCF 34a_100000724931_100009814007 [0,1,0,0,0,0|2,0,0]=3 2714 B9R0.2 CC(=O)OCCNCCO 34a_100016990907_100009814007 [0,1,0,0,0,0|2,0,0]=3 2715 B9R0.2 CC(=O)OCCOCCBr 34a_100000211926_100009814007 [0,1,0,0,0,0|2,0,0]=3 2716 B9R0.2 CC(=O)OCCOCCN 34a_100000210304_100009814007 [0,1,0,0,0,0|2,0,0]=3 2717 B9R0.2 CC(=O)OCCOCS[13CH3] 62a_100000076355_200025704644 [0,1,0,0,0,0|2,0,0]=3 2718 B9R0.2 CC(=O)OCCOCS[13CH3] 62a_200025704644_100000076355 [0,1,0,0,0,0|2,0,0]=3 2719 B9R0.2 CC(=O)OCCSCC#N 62a_100009814007_100011215382 [0,1,0,0,0,0|2,0,1]=4 2720 B9R0.2 CC(=O)OCCSCC#N 62a_100011215382_100009814007 [0,1,0,0,0,0|2,0,1]=4 2721 B9R0.2 CC(=O)OCCSCC=O 62a_100009814007_200015260668 [0,1,0,0,0,0|2,0,1]=4 2722 B9R0.2 CC(=O)OCCSCC=O 62a_200015260668_100009814007 [0,1,0,0,0,0|2,0,1]=4 2723 B9R0.2 CC(=O)OCCSCCF 62a_100009814007_100011217306 [0,1,0,0,0,0|2,0,0]=3 2724 B9R0.2 CC(=O)OCCSCCF 62a_100011217306_100009814007 [0,1,0,0,0,0|2,0,0]=3 2725 B9R0.2 CC(=O)OCCSCCO 62a_100000211926_100009814007 [0,1,0,0,0,0|2,0,0]=3 2726 B9R0.2 CC(=O)OCCSCCO 62a_100009814007_100000211926 [0,1,0,0,0,0|2,0,0]=3 2727 B9R0.2 CC(=O)OCNCCCF 34a_100015189416_100009813279 [0,1,0,0,0,0|2,0,0]=3 2728 B9R0.2 CC(=O)OCOCCCBr 34a_100011217188_100009813279 [0,1,0,0,0,0|2,0,0]=3 2729 B9R0.2 CC(=O)OCOCCCCl 34a_100000230001_100009813279 [0,1,0,0,0,0|2,0,0]=3 2730 B9R0.2 CC(=O)OCOCCCF 34a_100000759539_100009813279 [0,1,0,0,0,0|2,0,0]=3 2731 B9R0.2 CC(=O)OCOCCCN 34a_100000182051_100009813279 [0,1,0,0,0,0|2,0,0]=3 2732 B9R0.2 CC(=O)OCOCCON 34a_100000700252_100009813279 [0,1,0,0,0,0|3,0,0]=4 2733 B9R0.2 CC(=O)OCSCCC#N 62a_100000076356_100011215226 [0,1,0,0,0,0|2,0,1]=4 2734 B9R0.2 CC(=O)OCSCCC#N 62a_100011215226_100000076356 [0,1,0,0,0,0|2,0,1]=4 2735 B9R0.2 CC(=O)OCSCCCF 62a_100000076356_100011934791 [0,1,0,0,0,0|2,0,0]=3 2736 B9R0.2 CC(=O)OCSCCCF 62a_100011934791_100000076356 [0,1,0,0,0,0|2,0,0]=3 2737 B9R0.2 CC(=O)OCSCCCO 62a_100000076356_100011215043 [0,1,0,0,0,0|2,0,0]=3 2738 B9R0.2 CC(=O)OCSCCCO 62a_100011215043_100000076356 [0,1,0,0,0,0|2,0,0]=3 2739 B9R0.2 CC(=O)SCCCCS[13CH3] 62a_200010402107_200025704644 [0,1,0,0,0,0|1,0,0]=2 2740 B9R0.2 CC(=O)SCCCCS[13CH3] 62a_200025704644_200010402107 [0,1,0,0,0,0|1,0,0]=2 2741 B9R0.2 CC(=O)SCCCSCF 62a_100000038929_100015361967 [0,1,0,0,0,0|2,0,0]=3 2742 B9R0.2 CC(=O)SCCCSCF 62a_100015361967_100000038929 [0,1,0,0,0,0|2,0,0]=3 2743 B9R0.2 CC(=S)OCCCSCF 62a_100015361967_200135323944 [0,1,0,0,0,0|2,1,0]=4 2744 B9R0.2 CC(=S)OCCCSCF 62a_200135323944_100015361967 [0,1,0,0,0,0|2,1,0]=4 2745 B9R0.2 CC(Br)CCOCCCF 34a_100009893172_100011934791 [0,1,0,0,0,0|2,0,1]=4 2746 B9R0.2 CC(Br)CCOCCCO 34a_100009893172_100000230001 [0,1,0,0,0,0|2,0,1]=4 2747 B9R0.2 CC(Br)COCCCCF 34a_100012180447_100000729493 [0,1,0,0,0,0|2,0,1]=4 2748 B9R0.2 CC(Br)COCCCCO 34a_100012180447_100011216708 [0,1,0,0,0,0|2,0,1]=4 2749 B9R0.2 CC(C)CCCCCN[13CH3] 2230a_100011290863_200025704644 [0,1,0,0,0,0|1,0,1]=3 2750 B9R0.2 CC(C)CCCCCN[13CH3] 34a_100011290863_200025704644 [0,1,0,0,0,0|1,0,1]=3 2751 B9R0.2 CC(C)CCCCCO[13CH3] 34a_100011995859_200025704644 [0,1,0,0,0,0|1,0,1]=3 2752 B9R0.2 CC(C)CCCCCO[13CH3] 7a_100011995859_200025704644 [0,1,0,0,0,0|1,0,1]=3 2753 B9R0.2 CC(C)CCCCCS[13CH3] 62a_100000210682_200025704644 [0,1,0,0,0,0|1,0,1]=3 2754 B9R0.2 CC(C)CCCCCS[13CH3] 62a_200025704644_100000210682 [0,1,0,0,0,0|1,0,1]=3 2755 B9R0.2 CC(C)CCCCOCF 34a_100011214890_100015361967 [0,1,0,0,0,0|2,0,1]=4 2756 B9R0.2 CC(C)CCCCOCF 7a_100011214890_100015361967 [0,1,0,0,0,0|2,0,1]=4 2757 B9R0.2 CC(C)CCCCSCF 62a_100011216152_100015361967 [0,1,0,0,0,0|2,0,1]=4 2758 B9R0.2 CC(C)CCCCSCF 62a_100015361967_100011216152 [0,1,0,0,0,0|2,0,1]=4 2759 B9R0.2 CC(C)CCCNCCF 2230a_200000737386_100011217306 [0,1,0,0,0,0|2,0,1]=4 2760 B9R0.2 CC(C)CCCNCCF 34a_100000724931_100011214892 [0,1,0,0,0,0|2,0,1]=4 2761 B9R0.2 CC(C)CCCNCCF 34a_200000737386_100011217306 [0,1,0,0,0,0|2,0,1]=4 2762 B9R0.2 CC(C)CCCNCCO 2230a_100016997473_100011214892 [0,1,0,0,0,0|2,0,1]=4 2763 B9R0.2 CC(C)CCCNCCO 2230a_200000737386_100000211926 [0,1,0,0,0,0|2,0,1]=4 2764 B9R0.2 CC(C)CCCNCCO 34a_100016990907_100011214892 [0,1,0,0,0,0|2,0,1]=4 2765 B9R0.2 CC(C)CCCNCCO 34a_200000737386_100000211926 [0,1,0,0,0,0|2,0,1]=4 2766 B9R0.2 CC(C)CCCOCCBr 34a_100000211926_100011214892 [0,1,0,0,0,0|2,0,1]=4 2767 B9R0.2 CC(C)CCCOCCF 34a_100000210774_100011217306 [0,1,0,0,0,0|2,0,1]=4 2768 B9R0.2 CC(C)CCCOCCF 7a_100000210774_100011217306 [0,1,0,0,0,0|2,0,1]=4 2769 B9R0.2 CC(C)CCCOCCN 34a_100000210304_100011214892 [0,1,0,0,0,0|2,0,1]=4 2770 B9R0.2 CC(C)CCCOCCO 34a_100000210774_100000211926 [0,1,0,0,0,0|2,0,1]=4 2771 B9R0.2 CC(C)CCCOCCO 7a_100000210774_100000211926 [0,1,0,0,0,0|2,0,1]=4 2772 B9R0.2 CC(C)CCCSCCF 62a_100011214892_100011217306 [0,1,0,0,0,0|2,0,1]=4 2773 B9R0.2 CC(C)CCCSCCF 62a_100011217306_100011214892 [0,1,0,0,0,0|2,0,1]=4 2774 B9R0.2 CC(C)CCCSCCO 62a_100000211926_100011214892 [0,1,0,0,0,0|2,0,1]=4 2775 B9R0.2 CC(C)CCCSCCO 62a_100011214892_100000211926 [0,1,0,0,0,0|2,0,1]=4 2776 B9R0.2 CC(C)CCNCCCF 2230a_100015189416_100000210312 [0,1,0,0,0,0|2,0,1]=4 2777 B9R0.2 CC(C)CCNCCCF 269862a_100015189416_100000185833 [0,1,0,0,0,0|2,0,1]=4 2778 B9R0.2 CC(C)CCNCCCF 34a_100015189416_100000210312 [0,1,0,0,0,0|2,0,1]=4 2779 B9R0.2 CC(C)CCNCCCO 269862a_100000182051_100000185833 [0,1,0,0,0,0|2,0,1]=4 2780 B9R0.2 CC(C)CCOCCCBr 34a_100011217188_100000210312 [0,1,0,0,0,0|2,0,1]=4 2781 B9R0.2 CC(C)CCOCCCCl 34a_100000230001_100000210312 [0,1,0,0,0,0|2,0,1]=4 2782 B9R0.2 CC(C)CCOCCCF 34a_100000210254_100011934791 [0,1,0,0,0,0|2,0,1]=4 2783 B9R0.2 CC(C)CCOCCCF 34a_100000759539_100000210312 [0,1,0,0,0,0|2,0,1]=4 2784 B9R0.2 CC(C)CCOCCCF 7a_100000210254_100011934791 [0,1,0,0,0,0|2,0,1]=4 2785 B9R0.2 CC(C)CCOCCCN 34a_100000182051_100000210312 [0,1,0,0,0,0|2,0,1]=4 2786 B9R0.2 CC(C)CCOCCCO 34a_100000210254_100000230001 [0,1,0,0,0,0|2,0,1]=4 2787 B9R0.2 CC(C)CCOCCCO 7a_100000210254_100011215043 [0,1,0,0,0,0|2,0,1]=4 2788 B9R0.2 CC(C)CCSCCCF 62a_100000210312_100011934791 [0,1,0,0,0,0|2,0,1]=4 2789 B9R0.2 CC(C)CCSCCCF 62a_100011934791_100000210312 [0,1,0,0,0,0|2,0,1]=4 2790 B9R0.2 CC(C)CCSCCCO 62a_100000210312_100011215043 [0,1,0,0,0,0|2,0,1]=4 2791 B9R0.2 CC(C)CCSCCCO 62a_100011215043_100000210312 [0,1,0,0,0,0|2,0,1]=4 2792 B9R0.2 CC(C)CNCCCCF 2230a_100000210953_100000729493 [0,1,0,0,0,0|2,0,1]=4 2793 B9R0.2 CC(C)CNCCCCF 34a_100000210953_100000729493 [0,1,0,0,0,0|2,0,1]=4 2794 B9R0.2 CC(C)CNCCCCO 2230a_100000210953_100000210776 [0,1,0,0,0,0|2,0,1]=4 2795 B9R0.2 CC(C)CNCCCCO 2230a_100000750430_100000210760 [0,1,0,0,0,0|2,0,1]=4 2796 B9R0.2 CC(C)CNCCCCO 270004a_100000750430_100000210432 [0,1,0,0,0,0|2,0,1]=4 2797 B9R0.2 CC(C)CNCCCCO 34a_100000210953_100011216708 [0,1,0,0,0,0|2,0,1]=4 2798 B9R0.2 CC(C)CNCCCCO 34a_100000750430_100000210624 [0,1,0,0,0,0|2,0,1]=4 2799 B9R0.2 CC(C)COCCCCBr 34a_100011216708_100000210624 [0,1,0,0,0,0|2,0,1]=4 2800 B9R0.2 CC(C)COCCCCCl 34a_100000210776_100000210624 [0,1,0,0,0,0|2,0,1]=4 2801 B9R0.2 CC(C)COCCCCCl 7a_100000210776_100000210760 [0,1,0,0,0,0|2,0,1]=4 2802 B9R0.2 CC(C)COCCCCF 34a_100000210257_100000729493 [0,1,0,0,0,0|2,0,1]=4 2803 B9R0.2 CC(C)COCCCCF 34a_100011995726_100000210624 [0,1,0,0,0,0|2,0,1]=4 2804 B9R0.2 CC(C)COCCCCF 7a_100011995726_100000210760 [0,1,0,0,0,0|2,0,1]=4 2805 B9R0.2 CC(C)COCCCCI 34a_200012148704_100000210624 [0,1,0,0,0,0|2,0,1]=4 2806 B9R0.2 CC(C)COCCCCN 34a_100000750430_100000210624 [0,1,0,0,0,0|2,0,1]=4 2807 B9R0.2 CC(C)COCCCCO 34a_100000210257_100011216708 [0,1,0,0,0,0|2,0,1]=4 2808 B9R0.2 CC(C)COCCCN[13CH3] 2230a_100000205972_200025704644 [0,1,0,0,0,0|2,0,1]=4 2809 B9R0.2 CC(C)COCCCN[13CH3] 34a_100000205972_200025704644 [0,1,0,0,0,0|2,0,1]=4 2810 B9R0.2 CC(C)CSCCCCF 62a_100000210624_100000729493 [0,1,0,0,0,0|2,0,1]=4 2811 B9R0.2 CC(C)CSCCCCF 62a_100000729493_100000210760 [0,1,0,0,0,0|2,0,1]=4 2812 B9R0.2 CC(C)CSCCCCO 62a_100000210624_100000210776 [0,1,0,0,0,0|2,0,1]=4 2813 B9R0.2 CC(C)CSCCCCO 62a_100000210776_100000210760 [0,1,0,0,0,0|2,0,1]=4 2814 B9R0.2 CC(C)NCCCCCF 2230a_100138425928_100000729378 [0,1,0,0,0,0|2,0,1]=4 2815 B9R0.2 CC(C)NCCCCCF 34a_100138425928_100000729378 [0,1,0,0,0,0|2,0,1]=4 2816 B9R0.2 CC(C)NCCCCCO 2230a_100000762737_100000210206 [0,1,0,0,0,0|2,0,1]=4 2817 B9R0.2 CC(C)NCCCCCO 2230a_100138425928_100000746330 [0,1,0,0,0,0|2,0,1]=4 2818 B9R0.2 CC(C)NCCCCCO 34a_100000762737_100000210206 [0,1,0,0,0,0|2,0,1]=4 2819 B9R0.2 CC(C)NCCCCCO 34a_100138425928_100000746330 [0,1,0,0,0,0|2,0,1]=4 2820 B9R0.2 CC(C)NCCCCO[13CH3] 34a_100011521146_200025704644 [0,1,0,0,0,0|2,0,1]=4 2821 B9R0.2 CC(C)OCCCCCBr 34a_100000746331_100000210206 [0,1,0,0,0,0|2,0,1]=4 2822 B9R0.2 CC(C)OCCCCCBr 7a_100000746331_100000210206 [0,1,0,0,0,0|2,0,1]=4 2823 B9R0.2 CC(C)OCCCCCCl 34a_100000746330_100000210206 [0,1,0,0,0,0|2,0,1]=4 2824 B9R0.2 CC(C)OCCCCCCl 7a_100000746330_100000210206 [0,1,0,0,0,0|2,0,1]=4 2825 B9R0.2 CC(C)OCCCCCF 34a_100000212225_100000729378 [0,1,0,0,0,0|2,0,1]=4 2826 B9R0.2 CC(C)OCCCCCI 34a_200012148887_100000210206 [0,1,0,0,0,0|2,0,1]=4 2827 B9R0.2 CC(C)OCCCCCI 7a_200012148887_100000210206 [0,1,0,0,0,0|2,0,1]=4 2828 B9R0.2 CC(C)OCCCCCN 34a_100000762737_100000210206 [0,1,0,0,0,0|2,0,1]=4 2829 B9R0.2 CC(C)OCCCCCO 34a_100000212225_100000746330 [0,1,0,0,0,0|2,0,1]=4 2830 B9R0.2 CC(C)SCCCCCF 62a_100000210206_100000729378 [0,1,0,0,0,0|2,0,1]=4 2831 B9R0.2 CC(C)SCCCCCF 62a_100000729378_100000210206 [0,1,0,0,0,0|2,0,1]=4 2832 B9R0.2 CC(C)SCCCCCO 62a_100000210206_100000746330 [0,1,0,0,0,0|2,0,1]=4 2833 B9R0.2 CC(C)SCCCCCO 62a_100000746330_100000210206 [0,1,0,0,0,0|2,0,1]=4 2834 B9R0.2 CC(F)COCCCCF 34a_100015925927_100000729493 [0,1,0,0,0,0|2,0,1]=4 2835 B9R0.2 CC(F)COCCCCO 34a_100015925927_100011216708 [0,1,0,0,0,0|2,0,1]=4 2836 B9R0.2 CC(O)CCCNCCF 34a_100000724931_200000718107 [0,1,0,0,0,0|1,0,2]=4 2837 B9R0.2 CC(O)CCCNCCO 2230a_100016997473_200000718107 [0,1,0,0,0,0|1,0,2]=4 2838 B9R0.2 CC(O)CCCNCCO 34a_100016990907_200000718107 [0,1,0,0,0,0|1,0,2]=4 2839 B9R0.2 CC(O)CCCOCCBr 34a_100000211926_200000718107 [0,1,0,0,0,0|1,0,2]=4 2840 B9R0.2 CC(O)CCCOCCN 34a_100000210304_200000718107 [0,1,0,0,0,0|1,0,2]=4 2841 B9R0.2 CC(O)CCCSCCF 62a_100011217306_200000718107 [0,1,0,0,0,0|1,0,2]=4 2842 B9R0.2 CC(O)CCCSCCF 62a_200000718107_100011217306 [0,1,0,0,0,0|1,0,2]=4 2843 B9R0.2 CC(O)CCCSCCO 62a_100000211926_200000718107 [0,1,0,0,0,0|1,0,2]=4 2844 B9R0.2 CC(O)CCCSCCO 62a_200000718107_100000211926 [0,1,0,0,0,0|1,0,2]=4 2845 B9R0.2 CC(O)CCNCCCF 2230a_100015189416_100012276601 [0,1,0,0,0,0|1,0,2]=4 2846 B9R0.2 CC(O)CCNCCCF 2230a_200000755665_100011934791 [0,1,0,0,0,0|1,0,2]=4 2847 B9R0.2 CC(O)CCNCCCF 34a_100015189416_100012276601 [0,1,0,0,0,0|1,0,2]=4 2848 B9R0.2 CC(O)CCNCCCO 2230a_200000755665_100000230001 [0,1,0,0,0,0|1,0,2]=4 2849 B9R0.2 CC(O)CCOCCCBr 34a_100011217188_100012276601 [0,1,0,0,0,0|1,0,2]=4 2850 B9R0.2 CC(O)CCOCCCCl 34a_100000230001_100012276601 [0,1,0,0,0,0|1,0,2]=4 2851 B9R0.2 CC(O)CCOCCCF 34a_100000759539_100012276601 [0,1,0,0,0,0|1,0,2]=4 2852 B9R0.2 CC(O)CCOCCCN 34a_100000182051_100012276601 [0,1,0,0,0,0|1,0,2]=4 2853 B9R0.2 CC(O)CCSCCCF 62a_100011934791_100012276601 [0,1,0,0,0,0|1,0,2]=4 2854 B9R0.2 CC(O)CCSCCCF 62a_100012276601_100011934791 [0,1,0,0,0,0|1,0,2]=4 2855 B9R0.2 CC(O)CCSCCCO 62a_100011215043_100012276601 [0,1,0,0,0,0|1,0,2]=4 2856 B9R0.2 CC(O)CCSCCCO 62a_100012276601_100011215043 [0,1,0,0,0,0|1,0,2]=4 2857 B9R0.2 CC(O)CNCCCCF 2230a_100000210904_100000729493 [0,1,0,0,0,0|1,0,2]=4 2858 B9R0.2 CC(O)CNCCCCF 34a_100000210904_100000729493 [0,1,0,0,0,0|1,0,2]=4 2859 B9R0.2 CC(O)CNCCCCO 2230a_100000210904_100000210776 [0,1,0,0,0,0|1,0,2]=4 2860 B9R0.2 CC(O)CNCCCCO 2230a_100000750430_100011218427 [0,1,0,0,0,0|1,0,2]=4 2861 B9R0.2 CC(O)CNCCCCO 34a_100000210904_100011216708 [0,1,0,0,0,0|1,0,2]=4 2862 B9R0.2 CC(O)CNCCCCO 34a_100000750430_100011218427 [0,1,0,0,0,0|1,0,2]=4 2863 B9R0.2 CC(O)COCCCCBr 34a_100011216708_100011218427 [0,1,0,0,0,0|1,0,2]=4 2864 B9R0.2 CC(O)COCCCCCl 34a_100000210776_100011218427 [0,1,0,0,0,0|1,0,2]=4 2865 B9R0.2 CC(O)COCCCCCl 7a_100000210776_100011218427 [0,1,0,0,0,0|1,0,2]=4 2866 B9R0.2 CC(O)COCCCCF 34a_100011995726_100011218427 [0,1,0,0,0,0|1,0,2]=4 2867 B9R0.2 CC(O)COCCCCF 7a_100011995726_100011218427 [0,1,0,0,0,0|1,0,2]=4 2868 B9R0.2 CC(O)COCCCCI 34a_200012148704_100011218427 [0,1,0,0,0,0|1,0,2]=4 2869 B9R0.2 CC(O)COCCCCN 34a_100000750430_100011218427 [0,1,0,0,0,0|1,0,2]=4 2870 B9R0.2 CC(O)CSCCCCF 62a_100000729493_100011218427 [0,1,0,0,0,0|1,0,2]=4 2871 B9R0.2 CC(O)CSCCCCF 62a_100011218427_100000729493 [0,1,0,0,0,0|1,0,2]=4 2872 B9R0.2 CC(O)CSCCCCO 62a_100000210776_100011218427 [0,1,0,0,0,0|1,0,2]=4 2873 B9R0.2 CC(O)CSCCCCO 62a_100011218427_100000210776 [0,1,0,0,0,0|1,0,2]=4 2874 B9R0.2 CC/C=C\CNCC(=O)N 2230a_100000711301_100103147603 [0,1,0,0,0,0|1,0,2]=4 2875 B9R0.2 CC/C=C\CNCC(=O)O 269956a_100016091260_100103147603 [0,1,0,0,0,0|1,0,2]=4 2876 B9R0.2 CC/C=C\COCC(=O)C 34a_100000211253_100103147603 [0,1,0,0,0,0|0,0,2]=3 2877 B9R0.2 CC/C=C\COCC(=O)N 34a_100016268518_100000187820 [0,1,0,0,0,0|1,0,2]=4 2878 B9R0.2 CC/C=C\COCC(=O)[O-] 34a_100016268518_100020667443 [0,1,0,0,0,0|1,0,2]=4 2879 B9R0.2 CC/C=C\CSCC(=O)N 62a_100000747473_100103147603 [0,1,0,0,0,0|1,0,2]=4 2880 B9R0.2 CC/C=C\CSCC(=O)N 62a_100103147603_100000747473 [0,1,0,0,0,0|1,0,2]=4 2881 B9R0.2 CC/C=C\CSCC(=O)[O-] 62a_100020667443_100103147603 [0,1,0,0,0,0|1,0,2]=4 2882 B9R0.2 CC/C=C\CSCC(=O)[O-] 62a_100103147603_100020667443 [0,1,0,0,0,0|1,0,2]=4 2883 B9R0.2 CC=CCOCCC(=O)C 34a_100000759926_100000070051 [0,1,0,0,0,0|0,0,2]=3 2884 B9R0.2 CC=CCOCCC(=O)C 7a_100000759926_100000070051 [0,1,0,0,0,0|0,0,2]=3 2885 B9R0.2 CC=CCOCCC(=O)N 34a_100000757172_100000070051 [0,1,0,0,0,0|1,0,2]=4 2886 B9R0.2 CC=CCOCCC(=O)N 7a_100000757172_100000070051 [0,1,0,0,0,0|1,0,2]=4 2887 B9R0.2 CC=CCSCCC(=O)C 62a_100000053229_100000070051 [0,1,0,0,0,0|0,0,2]=3 2888 B9R0.2 CC=CCSCCC(=O)C 62a_100000070051_100000053229 [0,1,0,0,0,0|0,0,2]=3 2889 B9R0.2 CC=CCSCCC(=O)N 62a_100000070051_100000744528 [0,1,0,0,0,0|1,0,2]=4 2890 B9R0.2 CC=CCSCCC(=O)N 62a_100000744528_100000070051 [0,1,0,0,0,0|1,0,2]=4 2891 B9R0.2 CC=CCSCOC(=O)C 62a_100000070051_100000076356 [0,1,0,0,0,0|1,0,2]=4 2892 B9R0.2 CC=CCSCOC(=O)C 62a_100000076356_100000070051 [0,1,0,0,0,0|1,0,2]=4 2893 B9R0.2 CCC#CCNCC(=O)N 2230a_100000711301_100009813939 [0,1,0,0,0,0|1,0,2]=4 2894 B9R0.2 CCC#CCNCC(=O)O 269956a_100016091260_100009813939 [0,1,0,0,0,0|1,0,2]=4 2895 B9R0.2 CCC#CCOCC(=O)C 34a_100000211253_100009813939 [0,1,0,0,0,0|0,0,2]=3 2896 B9R0.2 CCC#CCOCC(=O)N 34a_100000032950_100000187820 [0,1,0,0,0,0|1,0,2]=4 2897 B9R0.2 CCC#CCOCC(=O)[O-] 34a_100000032950_100020667443 [0,1,0,0,0,0|1,0,2]=4 2898 B9R0.2 CCC#CCSCC(=O)N 62a_100000747473_100009813939 [0,1,0,0,0,0|1,0,2]=4 2899 B9R0.2 CCC#CCSCC(=O)N 62a_100009813939_100000747473 [0,1,0,0,0,0|1,0,2]=4 2900 B9R0.2 CCC#CCSCC(=O)[O-] 62a_100009813939_100020667443 [0,1,0,0,0,0|1,0,2]=4 2901 B9R0.2 CCC#CCSCC(=O)[O-] 62a_100020667443_100009813939 [0,1,0,0,0,0|1,0,2]=4 2902 B9R0.2 CCC/C=C/C=CC(=O)C 1458a_200016258893_200000210301 [0,1,0,0,0,0|0,0,3]=4 2903 B9R0.2 CCC/C=C/C=CC(=O)[13CH3] 1458a_200016258893_200025704644 [0,1,0,0,0,0|0,0,3]=4 2904 B9R0.2 CCCC/C=C/CC(=O)C 1458a_200016282684_200000210301 [0,1,0,0,0,0|0,0,1]=2 2905 B9R0.2 CCCC/C=C/CC(=O)[13CH3] 1458a_200016282684_200025704644 [0,1,0,0,0,0|0,0,1]=2 2906 B9R0.2 CCCCC=NNC(=O)C 4a_100000189765_100000210104 [0,1,0,0,0,0|1,0,1]=3 2907 B9R0.2 CCCCCC#CC(=O)C 1458a_100011215388_200000210301 [0,1,0,0,0,0|0,0,1]=2 2908 B9R0.2 CCCCCC#CC(=O)[13CH3] 1458a_100011215388_200025704644 [0,1,0,0,0,0|0,0,1]=2 2909 B9R0.2 CCCCCC=CC(=O)C 1458a_100016263427_200000210301 [0,1,0,0,0,0|0,0,1]=2 2910 B9R0.2 CCCCCC=CC(=O)[13CH3] 1458a_100016263427_200025704644 [0,1,0,0,0,0|0,0,1]=2 2911 B9R0.2 CCCCCCCC(=O)C 1458a_100000070787_100000210614 [0,1,0,0,0,0|0,0,0]=1 2912 B9R0.2 CCCCCCCC(=O)C 1458a_100000211969_200000210301 [0,1,0,0,0,0|0,0,0]=1 2913 B9R0.2 CCCCCCCC(=O)[13CH3] 1458a_100000211969_200025704644 [0,1,0,0,0,0|0,0,0]=1 2914 B9R0.2 CCCCCCCN(C)C 2230a_100000228206_200000210301 [0,1,0,0,0,0|2,0,0]=3 2915 B9R0.2 CCCCCCCN(C)C 2230a_100102631434_100000210681 [0,1,0,0,0,0|2,0,0]=3 2916 B9R0.2 CCCCCCCN(C)C 269982a_100000228206_200000210301 [0,1,0,0,0,0|2,0,0]=3 2917 B9R0.2 CCCCCCCN(C)C 269982a_100102631434_100000210681 [0,1,0,0,0,0|2,0,0]=3 2918 B9R0.2 CCCCCCCN(C)[13CH3] 2230a_100000228206_200025704644 [0,1,0,0,0,0|2,0,0]=3 2919 B9R0.2 CCCCCCCN(C)[13CH3] 269982a_100000228206_200025704644 [0,1,0,0,0,0|2,0,0]=3 2920 B9R0.2 CCCCCCNC(=O)C 11a_100000210581_100015343762 [0,1,0,0,0,0|0,0,0]=1 2921 B9R0.2 CCCCCCNC(=O)C 1626a_100000210581_100015343762 [0,1,0,0,0,0|0,0,0]=1 2922 B9R0.2 CCCCCCNC(=O)C 240690a_100000210581_100015343762 [0,1,0,0,0,0|0,0,0]=1 2923 B9R0.2 CCCCCCNC(=O)C 527a_100000210581_100103153847 [0,1,0,0,0,0|0,0,0]=1 2924 B9R0.2 CCCCCCNC(C)C 2230a_100000210581_100000210206 [0,1,0,0,0,0|1,0,1]=3 2925 B9R0.2 CCCCCCNC(C)C 2230a_100138425928_100000210314 [0,1,0,0,0,0|1,0,1]=3 2926 B9R0.2 CCCCCCNC(C)C 34a_100138425928_100000210314 [0,1,0,0,0,0|1,0,1]=3 2927 B9R0.2 CCCCCCOC(C)C 34a_100000210259_100000210206 [0,1,0,0,0,0|1,0,1]=3 2928 B9R0.2 CCCCCCOC(C)C 34a_100000212225_100000210314 [0,1,0,0,0,0|1,0,1]=3 2929 B9R0.2 CCCCCCOC(C)C 7a_100000210259_100000210206 [0,1,0,0,0,0|1,0,1]=3 2930 B9R0.2 CCCCCCSC(C)C 62a_100000210206_100000210757 [0,1,0,0,0,0|1,0,1]=3 2931 B9R0.2 CCCCCCSC(C)C 62a_100000210314_100000210206 [0,1,0,0,0,0|1,0,1]=3 2932 B9R0.2 CCCCCNCC(=O)N 2230a_100000209983_100000747473 [0,1,0,0,0,0|1,0,0]=2 2933 B9R0.2 CCCCCNCC(=O)N 2230a_100000711301_100000210326 [0,1,0,0,0,0|1,0,0]=2 2934 B9R0.2 CCCCCNCC(=O)O 269956a_100016091260_100000210326 [0,1,0,0,0,0|1,0,0]=2 2935 B9R0.2 CCCCCNCC(C)C 2230a_100000209983_100000210760 [0,1,0,0,0,0|1,0,1]=3 2936 B9R0.2 CCCCCNCC(C)C 2230a_100000210953_100000210326 [0,1,0,0,0,0|1,0,1]=3 2937 B9R0.2 CCCCCNCC(C)C 270004a_100000209983_100000210432 [0,1,0,0,0,0|1,0,1]=3 2938 B9R0.2 CCCCCNCC(C)C 34a_100000210953_100000718602 [0,1,0,0,0,0|1,0,1]=3 2939 B9R0.2 CCCCCNCC(C)O 2230a_100000209983_100011218427 [0,1,0,0,0,0|0,0,2]=3 2940 B9R0.2 CCCCCNCC(C)O 2230a_100000210904_100000210326 [0,1,0,0,0,0|0,0,2]=3 2941 B9R0.2 CCCCCNCC(C)O 34a_100000210904_100000718602 [0,1,0,0,0,0|0,0,2]=3 2942 B9R0.2 CCCCCNCC(F)F 2230a_100000209983_100011934356 [0,1,0,0,0,0|2,0,1]=4 2943 B9R0.2 CCCCCNCC(F)F 34a_100000765723_100000718602 [0,1,0,0,0,0|2,0,1]=4 2944 B9R0.2 CCCCCNC[C@@H](C)O 2230a_100000209983_100009817552 [0,1,0,0,0,0|0,0,2]=3 2945 B9R0.2 CCCCCNNC(=O)C 22a_100000694160_100000070787 [0,1,0,0,0,0|1,0,0]=2 2946 B9R0.2 CCCCCOCC(=O)C 34a_100000211253_100000718602 [0,1,0,0,0,0|0,0,0]=1 2947 B9R0.2 CCCCCOCC(=O)N 34a_100000210253_100000187820 [0,1,0,0,0,0|1,0,0]=2 2948 B9R0.2 CCCCCOCC(=O)N 7a_100000210253_100000187820 [0,1,0,0,0,0|1,0,0]=2 2949 B9R0.2 CCCCCOCC(=O)[O-] 34a_100000210253_100020667443 [0,1,0,0,0,0|1,0,0]=2 2950 B9R0.2 CCCCCOCC(C)Br 34a_100012180447_100000718602 [0,1,0,0,0,0|1,0,1]=3 2951 B9R0.2 CCCCCOCC(C)C 34a_100000210253_100000210624 [0,1,0,0,0,0|1,0,1]=3 2952 B9R0.2 CCCCCOCC(C)C 34a_100000210257_100000718602 [0,1,0,0,0,0|1,0,1]=3 2953 B9R0.2 CCCCCOCC(C)C 7a_100000210253_100000210760 [0,1,0,0,0,0|1,0,1]=3 2954 B9R0.2 CCCCCOCC(C)F 34a_100015925927_100000718602 [0,1,0,0,0,0|1,0,1]=3 2955 B9R0.2 CCCCCOCC(C)O 34a_100000210253_100011218427 [0,1,0,0,0,0|0,0,2]=3 2956 B9R0.2 CCCCCOCC(C)O 7a_100000210253_100011218427 [0,1,0,0,0,0|0,0,2]=3 2957 B9R0.2 CCCCCOCC(F)F 34a_100000210253_100011934356 [0,1,0,0,0,0|2,0,1]=4 2958 B9R0.2 CCCCCOCC(F)F 34a_100000743014_100000718602 [0,1,0,0,0,0|2,0,1]=4 2959 B9R0.2 CCCCCOCC(F)F 7a_100000210253_100011934356 [0,1,0,0,0,0|2,0,1]=4 2960 B9R0.2 CCCCCOC[C@@H](C)Cl 34a_100016084084_100000718602 [0,1,0,0,0,0|1,0,1]=3 2961 B9R0.2 CCCCCOC[C@@H](C)N 34a_100000737577_100000718602 [0,1,0,0,0,0|1,0,1]=3 2962 B9R0.2 CCCCCOC[C@@H](C)O 34a_100000210253_100009817552 [0,1,0,0,0,0|0,0,2]=3 2963 B9R0.2 CCCCCOC[C@@H](C)O 7a_100000210253_100009817552 [0,1,0,0,0,0|0,0,2]=3 2964 B9R0.2 CCCCCOC[N+](=O)[O-] 34a_100000210253_100000761209 [0,1,0,0,0,0|2,0,0]=3 2965 B9R0.2 CCCCCSCC(=O)N 62a_100000210326_100000747473 [0,1,0,0,0,0|1,0,0]=2 2966 B9R0.2 CCCCCSCC(=O)N 62a_100000747473_100000210326 [0,1,0,0,0,0|1,0,0]=2 2967 B9R0.2 CCCCCSCC(=O)[O-] 62a_100000210326_100020667443 [0,1,0,0,0,0|1,0,0]=2 2968 B9R0.2 CCCCCSCC(=O)[O-] 62a_100020667443_100000210326 [0,1,0,0,0,0|1,0,0]=2 2969 B9R0.2 CCCCCSCC(C)C 62a_100000210326_100000210760 [0,1,0,0,0,0|1,0,1]=3 2970 B9R0.2 CCCCCSCC(C)C 62a_100000210624_100000210326 [0,1,0,0,0,0|1,0,1]=3 2971 B9R0.2 CCCCCSCC(C)O 62a_100000210326_100011218427 [0,1,0,0,0,0|0,0,2]=3 2972 B9R0.2 CCCCCSCC(C)O 62a_100011218427_100000210326 [0,1,0,0,0,0|0,0,2]=3 2973 B9R0.2 CCCCCSCC(F)F 62a_100000210326_100011934356 [0,1,0,0,0,0|2,0,1]=4 2974 B9R0.2 CCCCCSCC(F)F 62a_100011934356_100000210326 [0,1,0,0,0,0|2,0,1]=4 2975 B9R0.2 CCCCCSC[C@@H](C)O 62a_100000210326_100009817552 [0,1,0,0,0,0|0,0,2]=3 2976 B9R0.2 CCCCCSC[C@@H](C)O 62a_100009817552_100000210326 [0,1,0,0,0,0|0,0,2]=3 2977 B9R0.2 CCCCCSC[N+](=O)[O-] 62a_100000210326_100000761209 [0,1,0,0,0,0|2,0,0]=3 2978 B9R0.2 CCCCNCC=C(C)C 2230a_100000102301_100000761012 [0,1,0,0,0,0|1,0,1]=3 2979 B9R0.2 CCCCNCC=C(C)C 34a_100000718196_100000210210 [0,1,0,0,0,0|1,0,1]=3 2980 B9R0.2 CCCCNCC=C(C)C 7a_106832991798_100000761012 [0,1,0,0,0,0|1,0,1]=3 2981 B9R0.2 CCCCNCCC(=O)C 7a_106832991798_100000053229 [0,1,0,0,0,0|0,0,0]=1 2982 B9R0.2 CCCCNCCC(=O)N 2230a_100000102301_100000744528 [0,1,0,0,0,0|1,0,0]=2 2983 B9R0.2 CCCCNCCC(=O)N 7a_106832991798_100000744528 [0,1,0,0,0,0|1,0,0]=2 2984 B9R0.2 CCCCNCCC(C)C 2230a_100000102301_100000210312 [0,1,0,0,0,0|1,0,1]=3 2985 B9R0.2 CCCCNCCC(C)C 269862a_100000102301_100000185833 [0,1,0,0,0,0|1,0,1]=3 2986 B9R0.2 CCCCNCCC(C)C 7a_106832991798_100000210626 [0,1,0,0,0,0|1,0,1]=3 2987 B9R0.2 CCCCNCCC(C)O 2230a_100000102301_100012276601 [0,1,0,0,0,0|0,0,2]=3 2988 B9R0.2 CCCCNCCC(C)O 2230a_200000755665_100000210211 [0,1,0,0,0,0|0,0,2]=3 2989 B9R0.2 CCCCNCCC(C)O 7a_106832991798_100012276601 [0,1,0,0,0,0|0,0,2]=3 2990 B9R0.2 CCCCNCCN(C)C 7a_106832991798_100000755713 [0,1,0,0,0,0|2,0,0]=3 2991 B9R0.2 CCCCNCOC(C)C 2230a_100000102301_100000709892 [0,1,0,0,0,0|2,0,1]=4 2992 B9R0.2 CCCCNOCC(=O)O 269956a_100000106656_100000210211 [0,1,0,0,0,0|2,0,0]=3 2993 B9R0.2 CCCCOCC=C(C)C 34a_100000210227_100000761012 [0,1,0,0,0,0|1,0,1]=3 2994 B9R0.2 CCCCOCC=C(C)C 34a_100000753907_100000210210 [0,1,0,0,0,0|1,0,1]=3 2995 B9R0.2 CCCCOCC=C(C)C 7a_100000210227_100000761012 [0,1,0,0,0,0|1,0,1]=3 2996 B9R0.2 CCCCOCCC(=O)C 1458a_100000070787_100000743108 [0,1,0,0,0,0|0,0,0]=1 2997 B9R0.2 CCCCOCCC(=O)C 34a_100000759926_100000210210 [0,1,0,0,0,0|0,0,0]=1 2998 B9R0.2 CCCCOCCC(=O)C 7a_100000210227_100000053229 [0,1,0,0,0,0|0,0,0]=1 2999 B9R0.2 CCCCOCCC(=O)C 7a_100000759926_100000210211 [0,1,0,0,0,0|0,0,0]=1 3000 B9R0.2 CCCCOCCC(=O)N 34a_100000210227_100000731001 [0,1,0,0,0,0|1,0,0]=2 3001 B9R0.2 CCCCOCCC(=O)N 34a_100000757172_100000210210 [0,1,0,0,0,0|1,0,0]=2 3002 B9R0.2 CCCCOCCC(=O)N 7a_100000210227_100000744528 [0,1,0,0,0,0|1,0,0]=2 3003 B9R0.2 CCCCOCCC(=O)N 7a_100000757172_100000210211 [0,1,0,0,0,0|1,0,0]=2 3004 B9R0.2 CCCCOCCC(C)Br 34a_100009893172_100000210210 [0,1,0,0,0,0|1,0,1]=3 3005 B9R0.2 CCCCOCCC(C)C 34a_100000210227_100000210312 [0,1,0,0,0,0|1,0,1]=3 3006 B9R0.2 CCCCOCCC(C)C 34a_100000210254_100000210210 [0,1,0,0,0,0|1,0,1]=3 3007 B9R0.2 CCCCOCCC(C)C 7a_100000210227_100000210626 [0,1,0,0,0,0|1,0,1]=3 3008 B9R0.2 CCCCOCCC(C)C 7a_100000210254_100000210211 [0,1,0,0,0,0|1,0,1]=3 3009 B9R0.2 CCCCOCCC(C)O 34a_100000210227_100012276601 [0,1,0,0,0,0|0,0,2]=3 3010 B9R0.2 CCCCOCCC(C)O 7a_100000210227_100012276601 [0,1,0,0,0,0|0,0,2]=3 3011 B9R0.2 CCCCOCCC(F)F 34a_100103093639_100000210210 [0,1,0,0,0,0|2,0,1]=4 3012 B9R0.2 CCCCOCCN(C)C 2230a_100102631434_100000743108 [0,1,0,0,0,0|2,0,0]=3 3013 B9R0.2 CCCCOCCN(C)C 269982a_100102631434_100000743108 [0,1,0,0,0,0|2,0,0]=3 3014 B9R0.2 CCCCOCCN(C)C 7a_100000210227_100000755713 [0,1,0,0,0,0|2,0,0]=3 3015 B9R0.2 CCCCOCC[C@@H](C)N 34a_100000706166_100000210210 [0,1,0,0,0,0|1,0,1]=3 3016 B9R0.2 CCCCOCNC(C)C 2230a_100138425928_100011995733 [0,1,0,0,0,0|2,0,1]=4 3017 B9R0.2 CCCCOCNC(C)C 34a_100138425928_100011995733 [0,1,0,0,0,0|2,0,1]=4 3018 B9R0.2 CCCCOCOC(=O)C 34a_100000210227_100009813279 [0,1,0,0,0,0|1,0,0]=2 3019 B9R0.2 CCCCOCOC(C)C 34a_100000210227_100000709892 [0,1,0,0,0,0|2,0,1]=4 3020 B9R0.2 CCCCOCOC(C)C 34a_100000212225_100011995733 [0,1,0,0,0,0|2,0,1]=4 3021 B9R0.2 CCCCOCSC(C)C 62a_100000210206_100011995733 [0,1,0,0,0,0|2,0,1]=4 3022 B9R0.2 CCCCOCSC(C)C 62a_100011995733_100000210206 [0,1,0,0,0,0|2,0,1]=4 3023 B9R0.2 CCCCSCC=C(C)C 62a_100000210211_100000761012 [0,1,0,0,0,0|1,0,1]=3 3024 B9R0.2 CCCCSCC=C(C)C 62a_100000761012_100000210210 [0,1,0,0,0,0|1,0,1]=3 3025 B9R0.2 CCCCSCCC(=O)C 62a_100000053229_100000210210 [0,1,0,0,0,0|0,0,0]=1 3026 B9R0.2 CCCCSCCC(=O)C 62a_100000210211_100000053229 [0,1,0,0,0,0|0,0,0]=1 3027 B9R0.2 CCCCSCCC(=O)N 62a_100000210211_100000744528 [0,1,0,0,0,0|1,0,0]=2 3028 B9R0.2 CCCCSCCC(=O)N 62a_100000744528_100000210210 [0,1,0,0,0,0|1,0,0]=2 3029 B9R0.2 CCCCSCCC(C)C 62a_100000210211_100000210312 [0,1,0,0,0,0|1,0,1]=3 3030 B9R0.2 CCCCSCCC(C)C 62a_100000210312_100000210210 [0,1,0,0,0,0|1,0,1]=3 3031 B9R0.2 CCCCSCCC(C)O 62a_100000210211_100012276601 [0,1,0,0,0,0|0,0,2]=3 3032 B9R0.2 CCCCSCCC(C)O 62a_100012276601_100000210210 [0,1,0,0,0,0|0,0,2]=3 3033 B9R0.2 CCCCSCCN(C)C 62a_100000210211_100000755713 [0,1,0,0,0,0|2,0,0]=3 3034 B9R0.2 CCCCSCOC(=O)C 62a_100000076356_100000210210 [0,1,0,0,0,0|1,0,0]=2 3035 B9R0.2 CCCCSCOC(=O)C 62a_100000210211_100000076356 [0,1,0,0,0,0|1,0,0]=2 3036 B9R0.2 CCCCSCOC(C)C 62a_100000210211_100000709892 [0,1,0,0,0,0|2,0,1]=4 3037 B9R0.2 CCCCSCOC(C)C 62a_100000709892_100000210210 [0,1,0,0,0,0|2,0,1]=4 3038 B9R0.2 CCCNCCCC(=O)N 34a_100000739312_100000210303 [0,1,0,0,0,0|1,0,0]=2 3039 B9R0.2 CCCNCCCC(C)C 2230a_200000737386_100000210303 [0,1,0,0,0,0|1,0,1]=3 3040 B9R0.2 CCCNCCCC(C)C 34a_200000737386_100000210303 [0,1,0,0,0,0|1,0,1]=3 3041 B9R0.2 CCCNCCCS(=O)C 2230a_200000753449_100000210303 [0,1,0,0,0,0|1,0,0]=2 3042 B9R0.2 CCCNCCNC(=O)C 2230a_100000209853_100000210303 [0,1,0,0,0,0|1,0,0]=2 3043 B9R0.2 CCCNCCNC(=O)N 34a_100020590234_100000210303 [0,1,0,0,0,0|2,0,0]=3 3044 B9R0.2 CCCNCCOC(C)C 2230a_100000701111_100000210303 [0,1,0,0,0,0|2,0,1]=4 3045 B9R0.2 CCCNCCOC(C)C 34a_100000701111_100000210303 [0,1,0,0,0,0|2,0,1]=4 3046 B9R0.2 CCCNCCSC(C)C 2230a_100000731138_100000210303 [0,1,0,0,0,0|2,0,1]=4 3047 B9R0.2 CCCNCCSC(C)C 34a_100000731138_100000210303 [0,1,0,0,0,0|2,0,1]=4 3048 B9R0.2 CCCOCCC=C(C)C 34a_100000210258_100011217483 [0,1,0,0,0,0|1,0,1]=3 3049 B9R0.2 CCCOCCC=C(F)F 34a_100000210258_200009816681 [0,1,0,0,0,0|2,0,1]=4 3050 B9R0.2 CCCOCCCC(=O)C 34a_100000210258_100000685027 [0,1,0,0,0,0|0,0,0]=1 3051 B9R0.2 CCCOCCCC(=O)C 34a_100000759063_100000210303 [0,1,0,0,0,0|0,0,0]=1 3052 B9R0.2 CCCOCCCC(=O)C 7a_100000759063_100000210303 [0,1,0,0,0,0|0,0,0]=1 3053 B9R0.2 CCCOCCCC(=O)N 34a_100000210258_100102525003 [0,1,0,0,0,0|1,0,0]=2 3054 B9R0.2 CCCOCCCC(C)C 34a_100000210258_100011214892 [0,1,0,0,0,0|1,0,1]=3 3055 B9R0.2 CCCOCCCC(C)C 34a_100000210774_100000210303 [0,1,0,0,0,0|1,0,1]=3 3056 B9R0.2 CCCOCCCC(C)C 7a_100000210774_100000210303 [0,1,0,0,0,0|1,0,1]=3 3057 B9R0.2 CCCOCCCC(C)O 34a_100000210258_200000718107 [0,1,0,0,0,0|0,0,2]=3 3058 B9R0.2 CCCOCCC[N+](=O)[O-] 34a_200000037920_100000210303 [0,1,0,0,0,0|2,0,0]=3 3059 B9R0.2 CCCOCCNC(=O)C 1626a_100161115042_100015343762 [0,1,0,0,0,0|1,0,0]=2 3060 B9R0.2 CCCOCCNC(=O)C 240690a_100161115042_100015343762 [0,1,0,0,0,0|1,0,0]=2 3061 B9R0.2 CCCOCCNC(=O)C 34a_100000158858_100000210303 [0,1,0,0,0,0|1,0,0]=2 3062 B9R0.2 CCCOCCNC(=O)C 527a_100161115042_100103153847 [0,1,0,0,0,0|1,0,0]=2 3063 B9R0.2 CCCOCCNC(=O)N 34a_100000181757_100000210303 [0,1,0,0,0,0|2,0,0]=3 3064 B9R0.2 CCCOCCNC(C)C 2230a_100138425928_100011215938 [0,1,0,0,0,0|2,0,1]=4 3065 B9R0.2 CCCOCCNC(C)C 2230a_100161115042_100000210206 [0,1,0,0,0,0|2,0,1]=4 3066 B9R0.2 CCCOCCNC(C)C 34a_100000224655_100000210303 [0,1,0,0,0,0|2,0,1]=4 3067 B9R0.2 CCCOCCNC(C)C 34a_100138425928_100011215938 [0,1,0,0,0,0|2,0,1]=4 3068 B9R0.2 CCCOCCNC(C)C 34a_100161115042_100000210206 [0,1,0,0,0,0|2,0,1]=4 3069 B9R0.2 CCCOCCOC(=O)C 34a_100000210258_100009814007 [0,1,0,0,0,0|1,0,0]=2 3070 B9R0.2 CCCOCCOC(=O)N 34a_100000210258_200011214921 [0,1,0,0,0,0|2,0,0]=3 3071 B9R0.2 CCCOCCOC(=O)N 7a_100000766696_100000210303 [0,1,0,0,0,0|2,0,0]=3 3072 B9R0.2 CCCOCCOC(C)C 34a_100000210258_100000211751 [0,1,0,0,0,0|2,0,1]=4 3073 B9R0.2 CCCOCCOC(C)C 34a_100000211219_100000210303 [0,1,0,0,0,0|2,0,1]=4 3074 B9R0.2 CCCOCCOC(C)C 34a_100000212225_100011215938 [0,1,0,0,0,0|2,0,1]=4 3075 B9R0.2 CCCOCCOC(C)C 34a_100000752267_100000210206 [0,1,0,0,0,0|2,0,1]=4 3076 B9R0.2 CCCOCCOC(C)C 7a_100000211219_100000210303 [0,1,0,0,0,0|2,0,1]=4 3077 B9R0.2 CCCOCCOC(C)C 7a_100000752267_100000210206 [0,1,0,0,0,0|2,0,1]=4 3078 B9R0.2 CCCOCCSC(C)C 34a_100000210258_100000730970 [0,1,0,0,0,0|2,0,1]=4 3079 B9R0.2 CCCOCCSC(C)C 34a_200011212901_100000210303 [0,1,0,0,0,0|2,0,1]=4 3080 B9R0.2 CCCOCCSC(C)C 62a_100000210206_100011215938 [0,1,0,0,0,0|2,0,1]=4 3081 B9R0.2 CCCOCCSC(C)C 62a_100011215938_100000210206 [0,1,0,0,0,0|2,0,1]=4 3082 B9R0.2 CCCOCCSC(C)C 7a_200011212901_100000210303 [0,1,0,0,0,0|2,0,1]=4 3083 B9R0.2 CCCSCCC=C(C)C 62a_100000210303_100011217483 [0,1,0,0,0,0|1,0,1]=3 3084 B9R0.2 CCCSCCC=C(C)C 62a_100011217483_100000210303 [0,1,0,0,0,0|1,0,1]=3 3085 B9R0.2 CCCSCCC=C(F)F 62a_100000210303_200009816681 [0,1,0,0,0,0|2,0,1]=4 3086 B9R0.2 CCCSCCC=C(F)F 62a_200009816681_100000210303 [0,1,0,0,0,0|2,0,1]=4 3087 B9R0.2 CCCSCCCC(=O)C 62a_100000210303_100011215641 [0,1,0,0,0,0|0,0,0]=1 3088 B9R0.2 CCCSCCCC(=O)C 62a_100011215641_100000210303 [0,1,0,0,0,0|0,0,0]=1 3089 B9R0.2 CCCSCCCC(=O)N 62a_100000210303_100102525003 [0,1,0,0,0,0|1,0,0]=2 3090 B9R0.2 CCCSCCCC(=O)N 62a_100102525003_100000210303 [0,1,0,0,0,0|1,0,0]=2 3091 B9R0.2 CCCSCCCC(C)C 62a_100000210303_100011214892 [0,1,0,0,0,0|1,0,1]=3 3092 B9R0.2 CCCSCCCC(C)C 62a_100011214892_100000210303 [0,1,0,0,0,0|1,0,1]=3 3093 B9R0.2 CCCSCCCC(C)O 62a_100000210303_200000718107 [0,1,0,0,0,0|0,0,2]=3 3094 B9R0.2 CCCSCCCC(C)O 62a_200000718107_100000210303 [0,1,0,0,0,0|0,0,2]=3 3095 B9R0.2 CCCSCCCN(C)C 62a_100000210303_100000757444 [0,1,0,0,0,0|2,0,0]=3 3096 B9R0.2 CCCSCCNC(=O)C 11a_100020603323_100015343762 [0,1,0,0,0,0|1,0,0]=2 3097 B9R0.2 CCCSCCNC(=O)C 240690a_100020603323_100015343762 [0,1,0,0,0,0|1,0,0]=2 3098 B9R0.2 CCCSCCNC(=O)C 527a_100020603323_100103153847 [0,1,0,0,0,0|1,0,0]=2 3099 B9R0.2 CCCSCCNC(=O)C 62a_100000189650_100000210303 [0,1,0,0,0,0|1,0,0]=2 3100 B9R0.2 CCCSCCNC(=O)C 62a_100000210303_100000189650 [0,1,0,0,0,0|1,0,0]=2 3101 B9R0.2 CCCSCCNC(=O)N 62a_100000210303_200000034859 [0,1,0,0,0,0|2,0,0]=3 3102 B9R0.2 CCCSCCNC(=O)N 62a_200000034859_100000210303 [0,1,0,0,0,0|2,0,0]=3 3103 B9R0.2 CCCSCCNC(C)C 2230a_100020603323_100000210206 [0,1,0,0,0,0|2,0,1]=4 3104 B9R0.2 CCCSCCOC(=O)C 62a_100000210303_100009814007 [0,1,0,0,0,0|1,0,0]=2 3105 B9R0.2 CCCSCCOC(=O)C 62a_100009814007_100000210303 [0,1,0,0,0,0|1,0,0]=2 3106 B9R0.2 CCCSCCOC(=O)N 62a_100000210303_200011214921 [0,1,0,0,0,0|2,0,0]=3 3107 B9R0.2 CCCSCCOC(=O)N 62a_200011214921_100000210303 [0,1,0,0,0,0|2,0,0]=3 3108 B9R0.2 CCCSCCOC(C)C 34a_200000230433_100000210206 [0,1,0,0,0,0|2,0,1]=4 3109 B9R0.2 CCCSCCOC(C)C 62a_100000210303_100000211751 [0,1,0,0,0,0|2,0,1]=4 3110 B9R0.2 CCCSCCOC(C)C 62a_100000211751_100000210303 [0,1,0,0,0,0|2,0,1]=4 3111 B9R0.2 CCCSCCOC(C)C 7a_200000230433_100000210206 [0,1,0,0,0,0|2,0,1]=4 3112 B9R0.2 CCCSCCSC(C)C 62a_100000210303_100000730970 [0,1,0,0,0,0|2,0,1]=4 3113 B9R0.2 CCCSCCSC(C)C 62a_100000730970_100000210303 [0,1,0,0,0,0|2,0,1]=4 3114 B9R0.2 CCNCCCCB(O)O 2230a_100015525214_200009817182 [0,1,0,0,0,0|2,0,1]=4 3115 B9R0.2 CCNCCCCC(=O)N 34a_100000696515_100000210202 [0,1,0,0,0,0|1,0,0]=2 3116 B9R0.2 CCNCCCCC(C)C 2230a_100015525214_100011216152 [0,1,0,0,0,0|1,0,1]=3 3117 B9R0.2 CCNCCCNC(=O)C 34a_100000736810_100000210202 [0,1,0,0,0,0|1,0,0]=2 3118 B9R0.2 CCNCCCOC(=S)C 2230a_100015525214_200135323944 [0,1,0,0,0,0|1,1,0]=3 3119 B9R0.2 CCNCCCOC(C)C 2230a_100000737246_100000210202 [0,1,0,0,0,0|2,0,1]=4 3120 B9R0.2 CCNCCCOC(C)C 34a_100000737246_100000210202 [0,1,0,0,0,0|2,0,1]=4 3121 B9R0.2 CCNCCCSC(=O)C 2230a_100015525214_100000038929 [0,1,0,0,0,0|1,0,0]=2 3122 B9R0.2 CCNCCOCC(=O)N 2230a_100015525214_100000076697 [0,1,0,0,0,0|2,0,0]=3 3123 B9R0.2 CCNCCOCC(=O)O 269956a_100000700818_100000210202 [0,1,0,0,0,0|2,0,0]=3 3124 B9R0.2 CCOCCCCB(O)O 34a_100121572206_200009817182 [0,1,0,0,0,0|2,0,1]=4 3125 B9R0.2 CCOCCCCC(=O)C 34a_100121572206_100009817362 [0,1,0,0,0,0|0,0,0]=1 3126 B9R0.2 CCOCCCCC(=O)N 34a_100012022536_100000210202 [0,1,0,0,0,0|1,0,0]=2 3127 B9R0.2 CCOCCCCC(=O)N 7a_100012022536_100000210202 [0,1,0,0,0,0|1,0,0]=2 3128 B9R0.2 CCOCCCCC(C)C 34a_100011214890_100000210202 [0,1,0,0,0,0|1,0,1]=3 3129 B9R0.2 CCOCCCCC(C)C 34a_100121572206_100011216152 [0,1,0,0,0,0|1,0,1]=3 3130 B9R0.2 CCOCCCCC(C)C 7a_100011214890_100000210202 [0,1,0,0,0,0|1,0,1]=3 3131 B9R0.2 CCOCCCC[N+](=O)[O-] 34a_200015379883_100000210202 [0,1,0,0,0,0|2,0,0]=3 3132 B9R0.2 CCOCCCC[N+](=O)[O-] 7a_200015379883_100000210202 [0,1,0,0,0,0|2,0,0]=3 3133 B9R0.2 CCOCCCNC(=O)C 11a_100000210961_100015343762 [0,1,0,0,0,0|1,0,0]=2 3134 B9R0.2 CCOCCCNC(=O)C 1626a_100000210961_100015343762 [0,1,0,0,0,0|1,0,0]=2 3135 B9R0.2 CCOCCCNC(=O)C 240690a_100000210961_100015343762 [0,1,0,0,0,0|1,0,0]=2 3136 B9R0.2 CCOCCCNC(=O)C 34a_100000752032_100000210202 [0,1,0,0,0,0|1,0,0]=2 3137 B9R0.2 CCOCCCNC(=O)C 527a_100000210961_100103153847 [0,1,0,0,0,0|1,0,0]=2 3138 B9R0.2 CCOCCCNC(C)C 2230a_100000210961_100000210206 [0,1,0,0,0,0|2,0,1]=4 3139 B9R0.2 CCOCCCNC(C)C 2230a_100138425928_100012232248 [0,1,0,0,0,0|2,0,1]=4 3140 B9R0.2 CCOCCCNC(C)C 34a_100000182298_100000210202 [0,1,0,0,0,0|2,0,1]=4 3141 B9R0.2 CCOCCCNC(C)C 34a_100000210961_100000210206 [0,1,0,0,0,0|2,0,1]=4 3142 B9R0.2 CCOCCCNC(C)C 34a_100138425928_100012232248 [0,1,0,0,0,0|2,0,1]=4 3143 B9R0.2 CCOCCCOC(=O)C 34a_100121572206_100000042594 [0,1,0,0,0,0|1,0,0]=2 3144 B9R0.2 CCOCCCOC(=S)C 34a_100121572206_200135323944 [0,1,0,0,0,0|1,1,0]=3 3145 B9R0.2 CCOCCCOC(C)C 34a_100000212225_100012232248 [0,1,0,0,0,0|2,0,1]=4 3146 B9R0.2 CCOCCCOC(C)C 34a_100000757476_100000210206 [0,1,0,0,0,0|2,0,1]=4 3147 B9R0.2 CCOCCCOC(C)C 7a_100000757476_100000210206 [0,1,0,0,0,0|2,0,1]=4 3148 B9R0.2 CCOCCCSC(=O)C 34a_100121572206_100000038929 [0,1,0,0,0,0|1,0,0]=2 3149 B9R0.2 CCOCCCSC(C)C 62a_100000210206_100012232248 [0,1,0,0,0,0|2,0,1]=4 3150 B9R0.2 CCOCCCSC(C)C 62a_100012232248_100000210206 [0,1,0,0,0,0|2,0,1]=4 3151 B9R0.2 CCOCCNCC(=O)N 2230a_100000711301_100011215890 [0,1,0,0,0,0|2,0,0]=3 3152 B9R0.2 CCOCCNCC(=O)N 2230a_102516460346_100000747473 [0,1,0,0,0,0|2,0,0]=3 3153 B9R0.2 CCOCCNCC(=O)N 34a_102516460346_100000187820 [0,1,0,0,0,0|2,0,0]=3 3154 B9R0.2 CCOCCNCC(=O)O 269956a_100016091260_100000210147 [0,1,0,0,0,0|2,0,0]=3 3155 B9R0.2 CCOCCNCC(=O)[O-] 34a_102516460346_100020667443 [0,1,0,0,0,0|2,0,0]=3 3156 B9R0.2 CCOCCNCC(C)C 2230a_100000210953_100011215890 [0,1,0,0,0,0|2,0,1]=4 3157 B9R0.2 CCOCCNCC(C)C 2230a_102516460346_100000210760 [0,1,0,0,0,0|2,0,1]=4 3158 B9R0.2 CCOCCNCC(C)C 270004a_102516460346_100000210432 [0,1,0,0,0,0|2,0,1]=4 3159 B9R0.2 CCOCCNCC(C)C 34a_100000210953_100000210147 [0,1,0,0,0,0|2,0,1]=4 3160 B9R0.2 CCOCCNCC(C)C 34a_100015185251_100000210202 [0,1,0,0,0,0|2,0,1]=4 3161 B9R0.2 CCOCCNCC(C)C 34a_102516460346_100000210624 [0,1,0,0,0,0|2,0,1]=4 3162 B9R0.2 CCOCCNCC(C)O 2230a_100000210904_100011215890 [0,1,0,0,0,0|1,0,2]=4 3163 B9R0.2 CCOCCNCC(C)O 2230a_102516460346_100011218427 [0,1,0,0,0,0|1,0,2]=4 3164 B9R0.2 CCOCCNCC(C)O 34a_100000210904_100000210147 [0,1,0,0,0,0|1,0,2]=4 3165 B9R0.2 CCOCCNCC(C)O 34a_102516460346_100011218427 [0,1,0,0,0,0|1,0,2]=4 3166 B9R0.2 CCOCCNC[C@@H](C)O 2230a_102516460346_100009817552 [0,1,0,0,0,0|1,0,2]=4 3167 B9R0.2 CCOCCNC[C@@H](C)O 34a_102516460346_100009817552 [0,1,0,0,0,0|1,0,2]=4 3168 B9R0.2 CCOCCNC[N+](=O)[O-] 34a_102516460346_100000761209 [0,1,0,0,0,0|3,0,0]=4 3169 B9R0.2 CCOCCNNC(=O)C 22a_100000732670_100000070787 [0,1,0,0,0,0|2,0,0]=3 3170 B9R0.2 CCOCCOCC(=O)C 34a_100000211253_100000210147 [0,1,0,0,0,0|1,0,0]=2 3171 B9R0.2 CCOCCOCC(=O)N 34a_100000210136_100000187820 [0,1,0,0,0,0|2,0,0]=3 3172 B9R0.2 CCOCCOCC(=O)N 34a_100121572206_100000076697 [0,1,0,0,0,0|2,0,0]=3 3173 B9R0.2 CCOCCOCC(=O)N 7a_100000210136_100000187820 [0,1,0,0,0,0|2,0,0]=3 3174 B9R0.2 CCOCCOCC(=O)[O-] 34a_100000210136_100020667443 [0,1,0,0,0,0|2,0,0]=3 3175 B9R0.2 CCOCCOCC(C)Br 34a_100012180447_100000210147 [0,1,0,0,0,0|2,0,1]=4 3176 B9R0.2 CCOCCOCC(C)C 34a_100000210136_100000210624 [0,1,0,0,0,0|2,0,1]=4 3177 B9R0.2 CCOCCOCC(C)C 34a_100000210257_100000210147 [0,1,0,0,0,0|2,0,1]=4 3178 B9R0.2 CCOCCOCC(C)C 34a_100000703358_100000210202 [0,1,0,0,0,0|2,0,1]=4 3179 B9R0.2 CCOCCOCC(C)C 7a_100000210136_100000210760 [0,1,0,0,0,0|2,0,1]=4 3180 B9R0.2 CCOCCOCC(C)C 7a_100000703358_100000210202 [0,1,0,0,0,0|2,0,1]=4 3181 B9R0.2 CCOCCOCC(C)F 34a_100015925927_100000210147 [0,1,0,0,0,0|2,0,1]=4 3182 B9R0.2 CCOCCOCC(C)O 34a_100000210136_100011218427 [0,1,0,0,0,0|1,0,2]=4 3183 B9R0.2 CCOCCOCC(C)O 7a_100000210136_100011218427 [0,1,0,0,0,0|1,0,2]=4 3184 B9R0.2 CCOCCOC[C@@H](C)Cl 34a_100016084084_100000210147 [0,1,0,0,0,0|2,0,1]=4 3185 B9R0.2 CCOCCOC[C@@H](C)N 34a_100000737577_100000210147 [0,1,0,0,0,0|2,0,1]=4 3186 B9R0.2 CCOCCOC[C@@H](C)O 34a_100000210136_100009817552 [0,1,0,0,0,0|1,0,2]=4 3187 B9R0.2 CCOCCOC[C@@H](C)O 7a_100000210136_100009817552 [0,1,0,0,0,0|1,0,2]=4 3188 B9R0.2 CCOCCOC[N+](=O)[O-] 34a_100000210136_100000761209 [0,1,0,0,0,0|3,0,0]=4 3189 B9R0.2 CCOCCSCC(=O)N 62a_100000210147_100000747473 [0,1,0,0,0,0|2,0,0]=3 3190 B9R0.2 CCOCCSCC(=O)N 62a_100000747473_100011215890 [0,1,0,0,0,0|2,0,0]=3 3191 B9R0.2 CCOCCSCC(=O)[O-] 62a_100000210147_100020667443 [0,1,0,0,0,0|2,0,0]=3 3192 B9R0.2 CCOCCSCC(=O)[O-] 62a_100020667443_100011215890 [0,1,0,0,0,0|2,0,0]=3 3193 B9R0.2 CCOCCSCC(C)C 34a_200000230437_100000210202 [0,1,0,0,0,0|2,0,1]=4 3194 B9R0.2 CCOCCSCC(C)C 62a_100000210147_100000210760 [0,1,0,0,0,0|2,0,1]=4 3195 B9R0.2 CCOCCSCC(C)C 62a_100000210624_100011215890 [0,1,0,0,0,0|2,0,1]=4 3196 B9R0.2 CCOCCSCC(C)C 7a_200000230437_100000210202 [0,1,0,0,0,0|2,0,1]=4 3197 B9R0.2 CCOCCSCC(C)O 62a_100000210147_100011218427 [0,1,0,0,0,0|1,0,2]=4 3198 B9R0.2 CCOCCSCC(C)O 62a_100011218427_100011215890 [0,1,0,0,0,0|1,0,2]=4 3199 B9R0.2 CCOCCSC[C@@H](C)O 62a_100000210147_100009817552 [0,1,0,0,0,0|1,0,2]=4 3200 B9R0.2 CCOCCSC[C@@H](C)O 62a_100009817552_100011215890 [0,1,0,0,0,0|1,0,2]=4 3201 B9R0.2 CCOCCSC[N+](=O)[O-] 62a_100000210147_100000761209 [0,1,0,0,0,0|3,0,0]=4 3202 B9R0.2 CCOCNOCC(=O)O 269956a_100000106656_100000739092 [0,1,0,0,0,0|3,0,0]=4 3203 B9R0.2 CCOCSCC=C(C)C 62a_100000739092_100000761012 [0,1,0,0,0,0|2,0,1]=4 3204 B9R0.2 CCOCSCC=C(C)C 62a_100000761012_100000739092 [0,1,0,0,0,0|2,0,1]=4 3205 B9R0.2 CCOCSCCC(=O)C 62a_100000053229_100000739092 [0,1,0,0,0,0|1,0,0]=2 3206 B9R0.2 CCOCSCCC(=O)C 62a_100000739092_100000053229 [0,1,0,0,0,0|1,0,0]=2 3207 B9R0.2 CCOCSCCC(=O)N 62a_100000739092_100000744528 [0,1,0,0,0,0|2,0,0]=3 3208 B9R0.2 CCOCSCCC(=O)N 62a_100000744528_100000739092 [0,1,0,0,0,0|2,0,0]=3 3209 B9R0.2 CCOCSCCC(C)C 62a_100000210312_100000739092 [0,1,0,0,0,0|2,0,1]=4 3210 B9R0.2 CCOCSCCC(C)C 62a_100000739092_100000210312 [0,1,0,0,0,0|2,0,1]=4 3211 B9R0.2 CCOCSCCC(C)O 62a_100000739092_100012276601 [0,1,0,0,0,0|1,0,2]=4 3212 B9R0.2 CCOCSCCC(C)O 62a_100012276601_100000739092 [0,1,0,0,0,0|1,0,2]=4 3213 B9R0.2 CCOCSCCN(C)C 62a_100000739092_100000755713 [0,1,0,0,0,0|3,0,0]=4 3214 B9R0.2 CCOCSCOC(=O)C 62a_100000076356_100000739092 [0,1,0,0,0,0|2,0,0]=3 3215 B9R0.2 CCOCSCOC(=O)C 62a_100000739092_100000076356 [0,1,0,0,0,0|2,0,0]=3 3216 B9R0.2 CCSCCCCB(O)O 62a_100000210202_200009817182 [0,1,0,0,0,0|2,0,1]=4 3217 B9R0.2 CCSCCCCB(O)O 62a_200009817182_100000210202 [0,1,0,0,0,0|2,0,1]=4 3218 B9R0.2 CCSCCCCC(=O)C 62a_100000210202_100000735457 [0,1,0,0,0,0|0,0,0]=1 3219 B9R0.2 CCSCCCCC(=O)C 62a_100000735457_100000210202 [0,1,0,0,0,0|0,0,0]=1 3220 B9R0.2 CCSCCCCC(C)C 62a_100000210202_100011216152 [0,1,0,0,0,0|1,0,1]=3 3221 B9R0.2 CCSCCCCC(C)C 62a_100011216152_100000210202 [0,1,0,0,0,0|1,0,1]=3 3222 B9R0.2 CCSCCCCN(C)C 62a_100000210202_100000690147 [0,1,0,0,0,0|2,0,0]=3 3223 B9R0.2 CCSCCCOC(=O)C 62a_100000042594_100000210202 [0,1,0,0,0,0|1,0,0]=2 3224 B9R0.2 CCSCCCOC(=O)C 62a_100000210202_100000042594 [0,1,0,0,0,0|1,0,0]=2 3225 B9R0.2 CCSCCCOC(=S)C 62a_100000210202_200135323944 [0,1,0,0,0,0|1,1,0]=3 3226 B9R0.2 CCSCCCOC(=S)C 62a_200135323944_100000210202 [0,1,0,0,0,0|1,1,0]=3 3227 B9R0.2 CCSCCCOC(C)C 34a_100011216438_100000210206 [0,1,0,0,0,0|2,0,1]=4 3228 B9R0.2 CCSCCCOC(C)C 7a_100011216438_100000210206 [0,1,0,0,0,0|2,0,1]=4 3229 B9R0.2 CCSCCCSC(=O)C 62a_100000038929_100000210202 [0,1,0,0,0,0|1,0,0]=2 3230 B9R0.2 CCSCCCSC(=O)C 62a_100000210202_100000038929 [0,1,0,0,0,0|1,0,0]=2 3231 B9R0.2 CCSCCNCC(=O)N 2230a_100000106463_100000747473 [0,1,0,0,0,0|2,0,0]=3 3232 B9R0.2 CCSCCNCC(=O)N 2230a_100000711301_100000757381 [0,1,0,0,0,0|2,0,0]=3 3233 B9R0.2 CCSCCNCC(=O)O 269956a_100016091260_100000757381 [0,1,0,0,0,0|2,0,0]=3 3234 B9R0.2 CCSCCNCC(C)C 2230a_100000106463_100000210760 [0,1,0,0,0,0|2,0,1]=4 3235 B9R0.2 CCSCCNCC(C)C 2230a_100000210953_100000757381 [0,1,0,0,0,0|2,0,1]=4 3236 B9R0.2 CCSCCNCC(C)C 270004a_100000106463_100000210432 [0,1,0,0,0,0|2,0,1]=4 3237 B9R0.2 CCSCCNCC(C)C 34a_100000210953_100000757381 [0,1,0,0,0,0|2,0,1]=4 3238 B9R0.2 CCSCCNCC(C)O 2230a_100000106463_100011218427 [0,1,0,0,0,0|1,0,2]=4 3239 B9R0.2 CCSCCNCC(C)O 2230a_100000210904_100000757381 [0,1,0,0,0,0|1,0,2]=4 3240 B9R0.2 CCSCCNCC(C)O 34a_100000210904_100000757381 [0,1,0,0,0,0|1,0,2]=4 3241 B9R0.2 CCSCCNC[C@@H](C)O 2230a_100000106463_100009817552 [0,1,0,0,0,0|1,0,2]=4 3242 B9R0.2 CCSCCOCC(=O)C 34a_100000211253_100000757381 [0,1,0,0,0,0|1,0,0]=2 3243 B9R0.2 CCSCCOCC(=O)N 34a_100000212035_100000187820 [0,1,0,0,0,0|2,0,0]=3 3244 B9R0.2 CCSCCOCC(=O)N 62a_100000076697_100000210202 [0,1,0,0,0,0|2,0,0]=3 3245 B9R0.2 CCSCCOCC(=O)N 62a_100000210202_100000076697 [0,1,0,0,0,0|2,0,0]=3 3246 B9R0.2 CCSCCOCC(=O)N 7a_100000212035_100000187820 [0,1,0,0,0,0|2,0,0]=3 3247 B9R0.2 CCSCCOCC(=O)[O-] 34a_100000212035_100020667443 [0,1,0,0,0,0|2,0,0]=3 3248 B9R0.2 CCSCCOCC(C)Br 34a_100012180447_100000757381 [0,1,0,0,0,0|2,0,1]=4 3249 B9R0.2 CCSCCOCC(C)C 34a_100000210257_100000757381 [0,1,0,0,0,0|2,0,1]=4 3250 B9R0.2 CCSCCOCC(C)C 34a_100000212035_100000210624 [0,1,0,0,0,0|2,0,1]=4 3251 B9R0.2 CCSCCOCC(C)C 7a_100000212035_100000210760 [0,1,0,0,0,0|2,0,1]=4 3252 B9R0.2 CCSCCOCC(C)F 34a_100015925927_100000757381 [0,1,0,0,0,0|2,0,1]=4 3253 B9R0.2 CCSCCOCC(C)O 34a_100000212035_100011218427 [0,1,0,0,0,0|1,0,2]=4 3254 B9R0.2 CCSCCOCC(C)O 7a_100000212035_100011218427 [0,1,0,0,0,0|1,0,2]=4 3255 B9R0.2 CCSCCOC[C@@H](C)Cl 34a_100016084084_100000757381 [0,1,0,0,0,0|2,0,1]=4 3256 B9R0.2 CCSCCOC[C@@H](C)N 34a_100000737577_100000757381 [0,1,0,0,0,0|2,0,1]=4 3257 B9R0.2 CCSCCOC[C@@H](C)O 34a_100000212035_100009817552 [0,1,0,0,0,0|1,0,2]=4 3258 B9R0.2 CCSCCOC[C@@H](C)O 7a_100000212035_100009817552 [0,1,0,0,0,0|1,0,2]=4 3259 B9R0.2 CCSCCOC[N+](=O)[O-] 34a_100000212035_100000761209 [0,1,0,0,0,0|3,0,0]=4 3260 B9R0.2 CCSCCSCC(=O)N 62a_100000747473_100000757381 [0,1,0,0,0,0|2,0,0]=3 3261 B9R0.2 CCSCCSCC(=O)N 62a_100000757381_100000747473 [0,1,0,0,0,0|2,0,0]=3 3262 B9R0.2 CCSCCSCC(=O)[O-] 62a_100000757381_100020667443 [0,1,0,0,0,0|2,0,0]=3 3263 B9R0.2 CCSCCSCC(=O)[O-] 62a_100020667443_100000757381 [0,1,0,0,0,0|2,0,0]=3 3264 B9R0.2 CCSCCSCC(C)C 62a_100000210624_100000757381 [0,1,0,0,0,0|2,0,1]=4 3265 B9R0.2 CCSCCSCC(C)C 62a_100000757381_100000210760 [0,1,0,0,0,0|2,0,1]=4 3266 B9R0.2 CCSCCSCC(C)O 62a_100000757381_100011218427 [0,1,0,0,0,0|1,0,2]=4 3267 B9R0.2 CCSCCSCC(C)O 62a_100011218427_100000757381 [0,1,0,0,0,0|1,0,2]=4 3268 B9R0.2 CCSCCSC[C@@H](C)O 62a_100000757381_100009817552 [0,1,0,0,0,0|1,0,2]=4 3269 B9R0.2 CCSCCSC[C@@H](C)O 62a_100009817552_100000757381 [0,1,0,0,0,0|1,0,2]=4 3270 B9R0.2 CCSCCSC[N+](=O)[O-] 62a_100000757381_100000761209 [0,1,0,0,0,0|3,0,0]=4 3271 B9R0.2 CN(C)CCCCCC#N 2230a_100102631434_100009813376 [0,1,0,0,0,0|2,0,1]=4 3272 B9R0.2 CN(C)CCCCCC#N 269982a_100102631434_100009813376 [0,1,0,0,0,0|2,0,1]=4 3273 B9R0.2 CN(C)CCCCCC=O 2230a_100102631434_100000139337 [0,1,0,0,0,0|2,0,1]=4 3274 B9R0.2 CN(C)CCCCCC=O 269982a_100102631434_100000139337 [0,1,0,0,0,0|2,0,1]=4 3275 B9R0.2 CN(C)CCCCCCF 2230a_100102631434_100015922095 [0,1,0,0,0,0|2,0,0]=3 3276 B9R0.2 CN(C)CCCCCCF 269982a_100102631434_100015922095 [0,1,0,0,0,0|2,0,0]=3 3277 B9R0.2 CN(C)CCCCCCO 2230a_100102631434_100000766143 [0,1,0,0,0,0|2,0,0]=3 3278 B9R0.2 CN(C)CCCCCCO 269982a_100102631434_100000766143 [0,1,0,0,0,0|2,0,0]=3 3279 B9R0.2 CN(C)CCCCSCF 62a_100015361967_100000690147 [0,1,0,0,0,0|3,0,0]=4 3280 B9R0.2 CN(C)CCCSCCF 62a_100011217306_100000757444 [0,1,0,0,0,0|3,0,0]=4 3281 B9R0.2 CN(C)CCCSCCO 62a_100000211926_100000757444 [0,1,0,0,0,0|3,0,0]=4 3282 B9R0.2 CN(C)CCSCCCF 62a_100011934791_100000755713 [0,1,0,0,0,0|3,0,0]=4 3283 B9R0.2 CN(C)CCSCCCO 62a_100011215043_100000755713 [0,1,0,0,0,0|3,0,0]=4 3284 B9R0.2 CNCCCCCB(O)O 2230a_106832991635_200009817188 [0,1,0,0,0,0|2,0,1]=4 3285 B9R0.2 CNCCCCCB(O)O 34a_100102657272_200009817188 [0,1,0,0,0,0|2,0,1]=4 3286 B9R0.2 CNCCCCCB(O)O 7a_106832991635_200009817188 [0,1,0,0,0,0|2,0,1]=4 3287 B9R0.2 CNCCCCCC(=O)N 2230a_106832991635_100009817443 [0,1,0,0,0,0|1,0,0]=2 3288 B9R0.2 CNCCCCCC(=O)N 34a_100102657272_100009817443 [0,1,0,0,0,0|1,0,0]=2 3289 B9R0.2 CNCCCCCC(=O)N 7a_106832991635_100009817443 [0,1,0,0,0,0|1,0,0]=2 3290 B9R0.2 CNCCCCCC(C)C 2230a_100011290863_200000210301 [0,1,0,0,0,0|1,0,1]=3 3291 B9R0.2 CNCCCCCC(C)C 2230a_106832991635_100000210682 [0,1,0,0,0,0|1,0,1]=3 3292 B9R0.2 CNCCCCCC(C)C 34a_100011290863_200000210301 [0,1,0,0,0,0|1,0,1]=3 3293 B9R0.2 CNCCCCCC(C)C 34a_100102657272_100000210682 [0,1,0,0,0,0|1,0,1]=3 3294 B9R0.2 CNCCCCCC(C)C 7a_106832991635_100000210682 [0,1,0,0,0,0|1,0,1]=3 3295 B9R0.2 CNCCCCNC(=O)C 2230a_200011368371_200000210301 [0,1,0,0,0,0|1,0,0]=2 3296 B9R0.2 CNCCCCNC(=O)C 34a_200011368371_200000210301 [0,1,0,0,0,0|1,0,0]=2 3297 B9R0.2 CNCCCCOC(=O)C 34a_100102657272_100000033659 [0,1,0,0,0,0|1,0,0]=2 3298 B9R0.2 CNCCCCOC(=O)C 7a_106832991635_100000033659 [0,1,0,0,0,0|1,0,0]=2 3299 B9R0.2 CNCCCCO[N+](=O)[O-] 34a_100102657272_100015694321 [0,1,0,0,0,0|3,0,0]=4 3300 B9R0.2 CNCCCCO[N+](=O)[O-] 7a_106832991635_100015694321 [0,1,0,0,0,0|3,0,0]=4 3301 B9R0.2 CNCCCCSC(=O)C 2230a_106832991635_200010402107 [0,1,0,0,0,0|1,0,0]=2 3302 B9R0.2 CNCCCCSC(=O)C 34a_100102657272_200010402107 [0,1,0,0,0,0|1,0,0]=2 3303 B9R0.2 CNCCCCSC(=O)C 7a_106832991635_200010402107 [0,1,0,0,0,0|1,0,0]=2 3304 B9R0.2 CNCCCOCC(=O)N 34a_100000213112_100000187820 [0,1,0,0,0,0|2,0,0]=3 3305 B9R0.2 CNCCCOCC(=O)[O-] 34a_100000213112_100020667443 [0,1,0,0,0,0|2,0,0]=3 3306 B9R0.2 CNCCCOCC(C)C 2230a_100000205972_200000210301 [0,1,0,0,0,0|2,0,1]=4 3307 B9R0.2 CNCCCOCC(C)C 34a_100000205972_200000210301 [0,1,0,0,0,0|2,0,1]=4 3308 B9R0.2 CNCCCOCC(C)C 34a_100000213112_100000210624 [0,1,0,0,0,0|2,0,1]=4 3309 B9R0.2 CNCCCOCC(C)O 34a_100000213112_100011218427 [0,1,0,0,0,0|1,0,2]=4 3310 B9R0.2 CNCCCOC[C@@H](C)O 34a_100000213112_100009817552 [0,1,0,0,0,0|1,0,2]=4 3311 B9R0.2 CNCCCOC[N+](=O)[O-] 34a_100000213112_100000761209 [0,1,0,0,0,0|3,0,0]=4 3312 B9R0.2 CNCOCCOC(=O)C 34a_100102657272_100000076355 [0,1,0,0,0,0|2,0,0]=3 3313 B9R0.2 COCCCCCB(O)O 34a_100138415774_200009817188 [0,1,0,0,0,0|2,0,1]=4 3314 B9R0.2 COCCCCCC(=O)C 1458a_100011935119_200000210301 [0,1,0,0,0,0|0,0,0]=1 3315 B9R0.2 COCCCCCC(=O)N 34a_100000123541_200000210301 [0,1,0,0,0,0|1,0,0]=2 3316 B9R0.2 COCCCCCC(=O)N 34a_100138415774_100009817443 [0,1,0,0,0,0|1,0,0]=2 3317 B9R0.2 COCCCCCC(=O)N 7a_100000123541_200000210301 [0,1,0,0,0,0|1,0,0]=2 3318 B9R0.2 COCCCCCC(=O)[13CH3] 1458a_100011935119_200025704644 [0,1,0,0,0,0|0,0,0]=1 3319 B9R0.2 COCCCCCC(=O)[O-] 7a_100102619762_200000210301 [0,1,0,0,0,0|1,0,0]=2 3320 B9R0.2 COCCCCCC(C)C 34a_100011995859_200000210301 [0,1,0,0,0,0|1,0,1]=3 3321 B9R0.2 COCCCCCC(C)C 34a_100138415774_100000210682 [0,1,0,0,0,0|1,0,1]=3 3322 B9R0.2 COCCCCCC(C)C 7a_100011995859_200000210301 [0,1,0,0,0,0|1,0,1]=3 3323 B9R0.2 COCCCCNC(C)C 2230a_100138425928_100000730899 [0,1,0,0,0,0|2,0,1]=4 3324 B9R0.2 COCCCCNC(C)C 34a_100011521146_200000210301 [0,1,0,0,0,0|2,0,1]=4 3325 B9R0.2 COCCCCNC(C)C 34a_100138425928_100000755781 [0,1,0,0,0,0|2,0,1]=4 3326 B9R0.2 COCCCCOC(=O)C 34a_100000073216_200000210301 [0,1,0,0,0,0|1,0,0]=2 3327 B9R0.2 COCCCCOC(=O)C 34a_100138415774_100000033659 [0,1,0,0,0,0|1,0,0]=2 3328 B9R0.2 COCCCCOC(=O)C 7a_100000073216_200000210301 [0,1,0,0,0,0|1,0,0]=2 3329 B9R0.2 COCCCCOC(C)C 34a_100000212225_100000755781 [0,1,0,0,0,0|2,0,1]=4 3330 B9R0.2 COCCCCOC(C)C 34a_100000740925_100000210206 [0,1,0,0,0,0|2,0,1]=4 3331 B9R0.2 COCCCCO[N+](=O)[O-] 34a_100138415774_100015694321 [0,1,0,0,0,0|3,0,0]=4 3332 B9R0.2 COCCCCSC(=O)C 34a_100138415774_200010402107 [0,1,0,0,0,0|1,0,0]=2 3333 B9R0.2 COCCCCSC(C)C 62a_100000210206_100000730899 [0,1,0,0,0,0|2,0,1]=4 3334 B9R0.2 COCCCCSC(C)C 62a_100000730899_100000210206 [0,1,0,0,0,0|2,0,1]=4 3335 B9R0.2 COCCCNCC(=O)N 2230a_100000711301_100000740836 [0,1,0,0,0,0|2,0,0]=3 3336 B9R0.2 COCCCNCC(=O)N 34a_100150723488_100000187820 [0,1,0,0,0,0|2,0,0]=3 3337 B9R0.2 COCCCNCC(=O)O 269956a_100016091260_100000740836 [0,1,0,0,0,0|2,0,0]=3 3338 B9R0.2 COCCCNCC(=O)[O-] 34a_100150723488_100020667443 [0,1,0,0,0,0|2,0,0]=3 3339 B9R0.2 COCCCNCC(C)C 2230a_100000210953_100000740836 [0,1,0,0,0,0|2,0,1]=4 3340 B9R0.2 COCCCNCC(C)C 270004a_100150723488_100000210432 [0,1,0,0,0,0|2,0,1]=4 3341 B9R0.2 COCCCNCC(C)C 34a_100000210953_100000740836 [0,1,0,0,0,0|2,0,1]=4 3342 B9R0.2 COCCCNCC(C)C 34a_100150723488_100000210624 [0,1,0,0,0,0|2,0,1]=4 3343 B9R0.2 COCCCNCC(C)O 2230a_100000210904_100000740836 [0,1,0,0,0,0|1,0,2]=4 3344 B9R0.2 COCCCNCC(C)O 34a_100000210904_100000740836 [0,1,0,0,0,0|1,0,2]=4 3345 B9R0.2 COCCCNCC(C)O 34a_100150723488_100011218427 [0,1,0,0,0,0|1,0,2]=4 3346 B9R0.2 COCCCNC[C@@H](C)O 34a_100150723488_100009817552 [0,1,0,0,0,0|1,0,2]=4 3347 B9R0.2 COCCCNC[N+](=O)[O-] 34a_100150723488_100000761209 [0,1,0,0,0,0|3,0,0]=4 3348 B9R0.2 COCCCNNC(=O)C 22a_100025702787_100000070787 [0,1,0,0,0,0|2,0,0]=3 3349 B9R0.2 COCCCOCC(=O)C 34a_100000211253_100000740836 [0,1,0,0,0,0|1,0,0]=2 3350 B9R0.2 COCCCOCC(=O)N 34a_100000740835_100000187820 [0,1,0,0,0,0|2,0,0]=3 3351 B9R0.2 COCCCOCC(=O)[O-] 34a_100000740835_100020667443 [0,1,0,0,0,0|2,0,0]=3 3352 B9R0.2 COCCCOCC(C)Br 34a_100012180447_100000740836 [0,1,0,0,0,0|2,0,1]=4 3353 B9R0.2 COCCCOCC(C)C 34a_100000210257_100000740836 [0,1,0,0,0,0|2,0,1]=4 3354 B9R0.2 COCCCOCC(C)C 34a_100000740835_100000210624 [0,1,0,0,0,0|2,0,1]=4 3355 B9R0.2 COCCCOCC(C)F 34a_100015925927_100000740836 [0,1,0,0,0,0|2,0,1]=4 3356 B9R0.2 COCCCOCC(C)O 34a_100000740835_100011218427 [0,1,0,0,0,0|1,0,2]=4 3357 B9R0.2 COCCCOC[C@@H](C)Cl 34a_100016084084_100000740836 [0,1,0,0,0,0|2,0,1]=4 3358 B9R0.2 COCCCOC[C@@H](C)N 34a_100000737577_100000740836 [0,1,0,0,0,0|2,0,1]=4 3359 B9R0.2 COCCCOC[C@@H](C)O 34a_100000740835_100009817552 [0,1,0,0,0,0|1,0,2]=4 3360 B9R0.2 COCCCOC[N+](=O)[O-] 34a_100000740835_100000761209 [0,1,0,0,0,0|3,0,0]=4 3361 B9R0.2 COCCCSCC(=O)N 62a_100000709357_100000747473 [0,1,0,0,0,0|2,0,0]=3 3362 B9R0.2 COCCCSCC(=O)N 62a_100000747473_100000709357 [0,1,0,0,0,0|2,0,0]=3 3363 B9R0.2 COCCCSCC(=O)[O-] 62a_100000709357_100020667443 [0,1,0,0,0,0|2,0,0]=3 3364 B9R0.2 COCCCSCC(=O)[O-] 62a_100020667443_100000709357 [0,1,0,0,0,0|2,0,0]=3 3365 B9R0.2 COCCCSCC(C)C 62a_100000210624_100000709357 [0,1,0,0,0,0|2,0,1]=4 3366 B9R0.2 COCCCSCC(C)C 62a_100000709357_100000210760 [0,1,0,0,0,0|2,0,1]=4 3367 B9R0.2 COCCCSCC(C)O 62a_100000709357_100011218427 [0,1,0,0,0,0|1,0,2]=4 3368 B9R0.2 COCCCSCC(C)O 62a_100011218427_100000709357 [0,1,0,0,0,0|1,0,2]=4 3369 B9R0.2 COCCCSC[C@@H](C)O 62a_100000709357_100009817552 [0,1,0,0,0,0|1,0,2]=4 3370 B9R0.2 COCCCSC[C@@H](C)O 62a_100009817552_100000709357 [0,1,0,0,0,0|1,0,2]=4 3371 B9R0.2 COCCCSC[N+](=O)[O-] 62a_100000709357_100000761209 [0,1,0,0,0,0|3,0,0]=4 3372 B9R0.2 COCCNCC=C(C)C 2230a_100000209980_100000761012 [0,1,0,0,0,0|2,0,1]=4 3373 B9R0.2 COCCNCC=C(C)C 34a_100000718196_100011201679 [0,1,0,0,0,0|2,0,1]=4 3374 B9R0.2 COCCNCCC(=O)N 2230a_100000209980_100000744528 [0,1,0,0,0,0|2,0,0]=3 3375 B9R0.2 COCCNCCC(C)C 2230a_100000209980_100000210312 [0,1,0,0,0,0|2,0,1]=4 3376 B9R0.2 COCCNCCC(C)C 269862a_100000209980_100000185833 [0,1,0,0,0,0|2,0,1]=4 3377 B9R0.2 COCCNCCC(C)O 2230a_100000209980_100012276601 [0,1,0,0,0,0|1,0,2]=4 3378 B9R0.2 COCCNCCC(C)O 2230a_200000755665_100011201679 [0,1,0,0,0,0|1,0,2]=4 3379 B9R0.2 COCCNOCC(=O)O 269956a_100000106656_100000233755 [0,1,0,0,0,0|3,0,0]=4 3380 B9R0.2 COCCOCC=C(C)C 34a_100000210237_100000761012 [0,1,0,0,0,0|2,0,1]=4 3381 B9R0.2 COCCOCC=C(C)C 34a_100000753907_100011201679 [0,1,0,0,0,0|2,0,1]=4 3382 B9R0.2 COCCOCCC(=O)C 1458a_100000070787_100000695917 [0,1,0,0,0,0|1,0,0]=2 3383 B9R0.2 COCCOCCC(=O)C 1458a_100000745395_200000210301 [0,1,0,0,0,0|1,0,0]=2 3384 B9R0.2 COCCOCCC(=O)C 34a_100000759926_100011201679 [0,1,0,0,0,0|1,0,0]=2 3385 B9R0.2 COCCOCCC(=O)C 7a_100000759926_100000233755 [0,1,0,0,0,0|1,0,0]=2 3386 B9R0.2 COCCOCCC(=O)N 34a_100000210237_100000731001 [0,1,0,0,0,0|2,0,0]=3 3387 B9R0.2 COCCOCCC(=O)N 34a_100000757172_100011201679 [0,1,0,0,0,0|2,0,0]=3 3388 B9R0.2 COCCOCCC(=O)N 7a_100000757172_100000233755 [0,1,0,0,0,0|2,0,0]=3 3389 B9R0.2 COCCOCCC(=O)[13CH3] 1458a_100000745395_200025704644 [0,1,0,0,0,0|1,0,0]=2 3390 B9R0.2 COCCOCCC(C)Br 34a_100009893172_100011201679 [0,1,0,0,0,0|2,0,1]=4 3391 B9R0.2 COCCOCCC(C)C 34a_100000210237_100000210312 [0,1,0,0,0,0|2,0,1]=4 3392 B9R0.2 COCCOCCC(C)C 34a_100000210254_100011201679 [0,1,0,0,0,0|2,0,1]=4 3393 B9R0.2 COCCOCCC(C)C 7a_100000210254_100000233755 [0,1,0,0,0,0|2,0,1]=4 3394 B9R0.2 COCCOCCC(C)O 34a_100000210237_100012276601 [0,1,0,0,0,0|1,0,2]=4 3395 B9R0.2 COCCOCCN(C)C 2230a_100102631434_100000695917 [0,1,0,0,0,0|3,0,0]=4 3396 B9R0.2 COCCOCCN(C)C 269982a_100102631434_100000695917 [0,1,0,0,0,0|3,0,0]=4 3397 B9R0.2 COCCOCC[C@@H](C)N 34a_100000706166_100011201679 [0,1,0,0,0,0|2,0,1]=4 3398 B9R0.2 COCCOCOC(=O)C 34a_100000210237_100009813279 [0,1,0,0,0,0|2,0,0]=3 3399 B9R0.2 COCCSCC=C(C)C 62a_100000233755_100000761012 [0,1,0,0,0,0|2,0,1]=4 3400 B9R0.2 COCCSCC=C(C)C 62a_100000761012_100000233755 [0,1,0,0,0,0|2,0,1]=4 3401 B9R0.2 COCCSCCC(=O)C 62a_100000053229_100000233755 [0,1,0,0,0,0|1,0,0]=2 3402 B9R0.2 COCCSCCC(=O)C 62a_100000233755_100000053229 [0,1,0,0,0,0|1,0,0]=2 3403 B9R0.2 COCCSCCC(=O)N 62a_100000233755_100000744528 [0,1,0,0,0,0|2,0,0]=3 3404 B9R0.2 COCCSCCC(=O)N 62a_100000744528_100000233755 [0,1,0,0,0,0|2,0,0]=3 3405 B9R0.2 COCCSCCC(C)C 62a_100000210312_100000233755 [0,1,0,0,0,0|2,0,1]=4 3406 B9R0.2 COCCSCCC(C)C 62a_100000233755_100000210312 [0,1,0,0,0,0|2,0,1]=4 3407 B9R0.2 COCCSCCC(C)O 62a_100000233755_100012276601 [0,1,0,0,0,0|1,0,2]=4 3408 B9R0.2 COCCSCCC(C)O 62a_100012276601_100000233755 [0,1,0,0,0,0|1,0,2]=4 3409 B9R0.2 COCCSCCN(C)C 62a_100000233755_100000755713 [0,1,0,0,0,0|3,0,0]=4 3410 B9R0.2 COCCSCOC(=O)C 62a_100000076356_100000233755 [0,1,0,0,0,0|2,0,0]=3 3411 B9R0.2 COCCSCOC(=O)C 62a_100000233755_100000076356 [0,1,0,0,0,0|2,0,0]=3 3412 B9R0.2 COCNCCCC(C)C 2230a_200000737386_100000766300 [0,1,0,0,0,0|2,0,1]=4 3413 B9R0.2 COCNCCCS(=O)C 2230a_200000753449_100000766300 [0,1,0,0,0,0|2,0,0]=3 3414 B9R0.2 COCNCCNC(=O)C 2230a_100000209853_100000766300 [0,1,0,0,0,0|2,0,0]=3 3415 B9R0.2 COCOCCOC(=O)C 34a_100138415774_100000076355 [0,1,0,0,0,0|2,0,0]=3 3416 B9R0.2 COCSCCC=C(C)C 62a_100000766300_100011217483 [0,1,0,0,0,0|2,0,1]=4 3417 B9R0.2 COCSCCC=C(C)C 62a_100011217483_100000766300 [0,1,0,0,0,0|2,0,1]=4 3418 B9R0.2 COCSCCCC(=O)C 62a_100000766300_100011215641 [0,1,0,0,0,0|1,0,0]=2 3419 B9R0.2 COCSCCCC(=O)C 62a_100011215641_100000766300 [0,1,0,0,0,0|1,0,0]=2 3420 B9R0.2 COCSCCCC(=O)N 62a_100000766300_100102525003 [0,1,0,0,0,0|2,0,0]=3 3421 B9R0.2 COCSCCCC(=O)N 62a_100102525003_100000766300 [0,1,0,0,0,0|2,0,0]=3 3422 B9R0.2 COCSCCCC(C)C 62a_100000766300_100011214892 [0,1,0,0,0,0|2,0,1]=4 3423 B9R0.2 COCSCCCC(C)C 62a_100011214892_100000766300 [0,1,0,0,0,0|2,0,1]=4 3424 B9R0.2 COCSCCCC(C)O 62a_100000766300_200000718107 [0,1,0,0,0,0|1,0,2]=4 3425 B9R0.2 COCSCCCC(C)O 62a_200000718107_100000766300 [0,1,0,0,0,0|1,0,2]=4 3426 B9R0.2 COCSCCCN(C)C 62a_100000766300_100000757444 [0,1,0,0,0,0|3,0,0]=4 3427 B9R0.2 COCSCCNC(=O)C 62a_100000189650_100000766300 [0,1,0,0,0,0|2,0,0]=3 3428 B9R0.2 COCSCCNC(=O)C 62a_100000766300_100000189650 [0,1,0,0,0,0|2,0,0]=3 3429 B9R0.2 COCSCCNC(=O)N 62a_100000766300_200000034859 [0,1,0,0,0,0|3,0,0]=4 3430 B9R0.2 COCSCCNC(=O)N 62a_200000034859_100000766300 [0,1,0,0,0,0|3,0,0]=4 3431 B9R0.2 COCSCCOC(=O)C 62a_100000766300_100009814007 [0,1,0,0,0,0|2,0,0]=3 3432 B9R0.2 COCSCCOC(=O)C 62a_100009814007_100000766300 [0,1,0,0,0,0|2,0,0]=3 3433 B9R0.2 COCSCCOC(=O)N 62a_100000766300_200011214921 [0,1,0,0,0,0|3,0,0]=4 3434 B9R0.2 COCSCCOC(=O)N 62a_200011214921_100000766300 [0,1,0,0,0,0|3,0,0]=4 3435 B9R0.2 CS(=O)CCCNCC#N 2230a_200000753449_100011215382 [0,1,0,0,0,0|2,0,1]=4 3436 B9R0.2 CS(=O)CCCNCC=O 2230a_200000753449_200015260668 [0,1,0,0,0,0|2,0,1]=4 3437 B9R0.2 CS(=O)CCCNCCF 2230a_200000753449_100011217306 [0,1,0,0,0,0|2,0,0]=3 3438 B9R0.2 CS(=O)CCCNCCO 2230a_200000753449_100000211926 [0,1,0,0,0,0|2,0,0]=3 3439 B9R0.2 CSCCC=NNC(=O)C 4a_100000189765_100000210997 [0,1,0,0,0,0|2,0,1]=4 3440 B9R0.2 CSCCCCCB(O)O 62a_200000210301_200009817188 [0,1,0,0,0,0|2,0,1]=4 3441 B9R0.2 CSCCCCCB(O)O 62a_200009817188_200000210301 [0,1,0,0,0,0|2,0,1]=4 3442 B9R0.2 CSCCCCCC(=O)N 62a_100009817443_200000210301 [0,1,0,0,0,0|1,0,0]=2 3443 B9R0.2 CSCCCCCC(=O)N 62a_200000210301_100009817443 [0,1,0,0,0,0|1,0,0]=2 3444 B9R0.2 CSCCCCCC(C)C 62a_100000210682_200000210301 [0,1,0,0,0,0|1,0,1]=3 3445 B9R0.2 CSCCCCCC(C)C 62a_200000210301_100000210682 [0,1,0,0,0,0|1,0,1]=3 3446 B9R0.2 CSCCCCOC(=O)C 62a_100000033659_200000210301 [0,1,0,0,0,0|1,0,0]=2 3447 B9R0.2 CSCCCCOC(=O)C 62a_200000210301_100000033659 [0,1,0,0,0,0|1,0,0]=2 3448 B9R0.2 CSCCCCOC(C)C 34a_100011217163_100000210206 [0,1,0,0,0,0|2,0,1]=4 3449 B9R0.2 CSCCCCOC(C)C 7a_100011217163_100000210206 [0,1,0,0,0,0|2,0,1]=4 3450 B9R0.2 CSCCCCO[N+](=O)[O-] 62a_200000210301_100015694321 [0,1,0,0,0,0|3,0,0]=4 3451 B9R0.2 CSCCCCSC(=O)C 62a_200000210301_200010402107 [0,1,0,0,0,0|1,0,0]=2 3452 B9R0.2 CSCCCCSC(=O)C 62a_200010402107_200000210301 [0,1,0,0,0,0|1,0,0]=2 3453 B9R0.2 CSCCCNCC(=O)N 2230a_100000749238_100000747473 [0,1,0,0,0,0|2,0,0]=3 3454 B9R0.2 CSCCCNCC(C)C 2230a_100000749238_100000210760 [0,1,0,0,0,0|2,0,1]=4 3455 B9R0.2 CSCCCNCC(C)C 270004a_100000749238_100000210432 [0,1,0,0,0,0|2,0,1]=4 3456 B9R0.2 CSCCCNCC(C)O 2230a_100000749238_100011218427 [0,1,0,0,0,0|1,0,2]=4 3457 B9R0.2 CSCCCNC[C@@H](C)O 2230a_100000749238_100009817552 [0,1,0,0,0,0|1,0,2]=4 3458 B9R0.2 CSCCCOCC(=O)N 34a_100000690336_100000187820 [0,1,0,0,0,0|2,0,0]=3 3459 B9R0.2 CSCCCOCC(=O)N 7a_100000690336_100000187820 [0,1,0,0,0,0|2,0,0]=3 3460 B9R0.2 CSCCCOCC(=O)[O-] 34a_100000690336_100020667443 [0,1,0,0,0,0|2,0,0]=3 3461 B9R0.2 CSCCCOCC(C)C 34a_100000690336_100000210624 [0,1,0,0,0,0|2,0,1]=4 3462 B9R0.2 CSCCCOCC(C)C 7a_100000690336_100000210760 [0,1,0,0,0,0|2,0,1]=4 3463 B9R0.2 CSCCCOCC(C)O 34a_100000690336_100011218427 [0,1,0,0,0,0|1,0,2]=4 3464 B9R0.2 CSCCCOCC(C)O 7a_100000690336_100011218427 [0,1,0,0,0,0|1,0,2]=4 3465 B9R0.2 CSCCCOC[C@@H](C)O 34a_100000690336_100009817552 [0,1,0,0,0,0|1,0,2]=4 3466 B9R0.2 CSCCCOC[C@@H](C)O 7a_100000690336_100009817552 [0,1,0,0,0,0|1,0,2]=4 3467 B9R0.2 CSCCCOC[N+](=O)[O-] 34a_100000690336_100000761209 [0,1,0,0,0,0|3,0,0]=4 3468 B9R0.2 CSCCNCC=C(C)C 2230a_100020590264_100000761012 [0,1,0,0,0,0|2,0,1]=4 3469 B9R0.2 CSCCNCC=C(C)C 34a_100000718196_100000212216 [0,1,0,0,0,0|2,0,1]=4 3470 B9R0.2 CSCCNCCC(=O)N 2230a_100020590264_100000744528 [0,1,0,0,0,0|2,0,0]=3 3471 B9R0.2 CSCCNCCC(C)C 2230a_100020590264_100000210312 [0,1,0,0,0,0|2,0,1]=4 3472 B9R0.2 CSCCNCCC(C)C 269862a_100020590264_100000185833 [0,1,0,0,0,0|2,0,1]=4 3473 B9R0.2 CSCCNCCC(C)O 2230a_100020590264_100012276601 [0,1,0,0,0,0|1,0,2]=4 3474 B9R0.2 CSCCNCCC(C)O 2230a_200000755665_100000751147 [0,1,0,0,0,0|1,0,2]=4 3475 B9R0.2 CSCCNOCC(=O)O 269956a_100000106656_100000212216 [0,1,0,0,0,0|3,0,0]=4 3476 B9R0.2 CSCCOCC=C(C)C 34a_100000230434_100000761012 [0,1,0,0,0,0|2,0,1]=4 3477 B9R0.2 CSCCOCC=C(C)C 34a_100000753907_100000212216 [0,1,0,0,0,0|2,0,1]=4 3478 B9R0.2 CSCCOCC=C(C)C 7a_100000230434_100000761012 [0,1,0,0,0,0|2,0,1]=4 3479 B9R0.2 CSCCOCCC(=O)C 34a_100000759926_100000212216 [0,1,0,0,0,0|1,0,0]=2 3480 B9R0.2 CSCCOCCC(=O)C 7a_100000230434_100000053229 [0,1,0,0,0,0|1,0,0]=2 3481 B9R0.2 CSCCOCCC(=O)C 7a_100000759926_100000212216 [0,1,0,0,0,0|1,0,0]=2 3482 B9R0.2 CSCCOCCC(=O)N 34a_100000230434_100000731001 [0,1,0,0,0,0|2,0,0]=3 3483 B9R0.2 CSCCOCCC(=O)N 34a_100000757172_100000212216 [0,1,0,0,0,0|2,0,0]=3 3484 B9R0.2 CSCCOCCC(=O)N 7a_100000230434_100000744528 [0,1,0,0,0,0|2,0,0]=3 3485 B9R0.2 CSCCOCCC(=O)N 7a_100000757172_100000212216 [0,1,0,0,0,0|2,0,0]=3 3486 B9R0.2 CSCCOCCC(C)Br 34a_100009893172_100000212216 [0,1,0,0,0,0|2,0,1]=4 3487 B9R0.2 CSCCOCCC(C)C 34a_100000210254_100000212216 [0,1,0,0,0,0|2,0,1]=4 3488 B9R0.2 CSCCOCCC(C)C 34a_100000230434_100000210312 [0,1,0,0,0,0|2,0,1]=4 3489 B9R0.2 CSCCOCCC(C)C 7a_100000210254_100000212216 [0,1,0,0,0,0|2,0,1]=4 3490 B9R0.2 CSCCOCCC(C)C 7a_100000230434_100000210626 [0,1,0,0,0,0|2,0,1]=4 3491 B9R0.2 CSCCOCCC(C)O 34a_100000230434_100012276601 [0,1,0,0,0,0|1,0,2]=4 3492 B9R0.2 CSCCOCCC(C)O 7a_100000230434_100012276601 [0,1,0,0,0,0|1,0,2]=4 3493 B9R0.2 CSCCOCCN(C)C 7a_100000230434_100000755713 [0,1,0,0,0,0|3,0,0]=4 3494 B9R0.2 CSCCOCC[C@@H](C)N 34a_100000706166_100000212216 [0,1,0,0,0,0|2,0,1]=4 3495 B9R0.2 CSCCOCOC(=O)C 34a_100000230434_100009813279 [0,1,0,0,0,0|2,0,0]=3 3496 B9R0.2 CSCCSCC=C(C)C 62a_100000212216_100000761012 [0,1,0,0,0,0|2,0,1]=4 3497 B9R0.2 CSCCSCC=C(C)C 62a_100000761012_100000751147 [0,1,0,0,0,0|2,0,1]=4 3498 B9R0.2 CSCCSCCC(=O)C 62a_100000053229_100000751147 [0,1,0,0,0,0|1,0,0]=2 3499 B9R0.2 CSCCSCCC(=O)C 62a_100000212216_100000053229 [0,1,0,0,0,0|1,0,0]=2 3500 B9R0.2 CSCCSCCC(=O)N 62a_100000212216_100000744528 [0,1,0,0,0,0|2,0,0]=3 3501 B9R0.2 CSCCSCCC(=O)N 62a_100000744528_100000751147 [0,1,0,0,0,0|2,0,0]=3 3502 B9R0.2 CSCCSCCC(C)C 62a_100000210312_100000751147 [0,1,0,0,0,0|2,0,1]=4 3503 B9R0.2 CSCCSCCC(C)C 62a_100000212216_100000210312 [0,1,0,0,0,0|2,0,1]=4 3504 B9R0.2 CSCCSCCC(C)O 62a_100000212216_100012276601 [0,1,0,0,0,0|1,0,2]=4 3505 B9R0.2 CSCCSCCC(C)O 62a_100012276601_100000751147 [0,1,0,0,0,0|1,0,2]=4 3506 B9R0.2 CSCCSCCN(C)C 62a_100000212216_100000755713 [0,1,0,0,0,0|3,0,0]=4 3507 B9R0.2 CSCCSCOC(=O)C 62a_100000076356_100000751147 [0,1,0,0,0,0|2,0,0]=3 3508 B9R0.2 CSCCSCOC(=O)C 62a_100000212216_100000076356 [0,1,0,0,0,0|2,0,0]=3 3509 B9R0.2 CSCNCCCC(=O)N 34a_100000739312_100011218213 [0,1,0,0,0,0|2,0,0]=3 3510 B9R0.2 CSCNCCCC(C)C 2230a_200000737386_100011218213 [0,1,0,0,0,0|2,0,1]=4 3511 B9R0.2 CSCNCCCC(C)C 34a_200000737386_100011218213 [0,1,0,0,0,0|2,0,1]=4 3512 B9R0.2 CSCNCCCS(=O)C 2230a_200000753449_100011218213 [0,1,0,0,0,0|2,0,0]=3 3513 B9R0.2 CSCNCCNC(=O)C 2230a_100000209853_100011218213 [0,1,0,0,0,0|2,0,0]=3 3514 B9R0.2 CSCNCCNC(=O)N 34a_100020590234_100011218213 [0,1,0,0,0,0|3,0,0]=4 3515 B9R0.2 CSCOCCCC(=O)C 34a_100000759063_100011218213 [0,1,0,0,0,0|1,0,0]=2 3516 B9R0.2 CSCOCCCC(C)C 34a_100000210774_100011218213 [0,1,0,0,0,0|2,0,1]=4 3517 B9R0.2 CSCOCCC[N+](=O)[O-] 34a_200000037920_100011218213 [0,1,0,0,0,0|3,0,0]=4 3518 B9R0.2 CSCOCCNC(=O)C 34a_100000158858_100011218213 [0,1,0,0,0,0|2,0,0]=3 3519 B9R0.2 CSCOCCNC(=O)N 34a_100000181757_100011218213 [0,1,0,0,0,0|3,0,0]=4 3520 B9R0.2 CSCOCCOC(=O)C 62a_100000076355_200000210301 [0,1,0,0,0,0|2,0,0]=3 3521 B9R0.2 CSCOCCOC(=O)C 62a_200000210301_100000076355 [0,1,0,0,0,0|2,0,0]=3 3522 B9R0.2 CSCSCCC=C(C)C 62a_100011217483_100011218213 [0,1,0,0,0,0|2,0,1]=4 3523 B9R0.2 CSCSCCC=C(C)C 62a_100011218213_100011217483 [0,1,0,0,0,0|2,0,1]=4 3524 B9R0.2 CSCSCCCC(=O)C 62a_100011215641_100011218213 [0,1,0,0,0,0|1,0,0]=2 3525 B9R0.2 CSCSCCCC(=O)C 62a_100011218213_100011215641 [0,1,0,0,0,0|1,0,0]=2 3526 B9R0.2 CSCSCCCC(=O)N 62a_100011218213_100102525003 [0,1,0,0,0,0|2,0,0]=3 3527 B9R0.2 CSCSCCCC(=O)N 62a_100102525003_100011218213 [0,1,0,0,0,0|2,0,0]=3 3528 B9R0.2 CSCSCCCC(C)C 62a_100011214892_100011218213 [0,1,0,0,0,0|2,0,1]=4 3529 B9R0.2 CSCSCCCC(C)C 62a_100011218213_100011214892 [0,1,0,0,0,0|2,0,1]=4 3530 B9R0.2 CSCSCCCC(C)O 62a_100011218213_200000718107 [0,1,0,0,0,0|1,0,2]=4 3531 B9R0.2 CSCSCCCC(C)O 62a_200000718107_100011218213 [0,1,0,0,0,0|1,0,2]=4 3532 B9R0.2 CSCSCCCN(C)C 62a_100011218213_100000757444 [0,1,0,0,0,0|3,0,0]=4 3533 B9R0.2 CSCSCCNC(=O)C 62a_100000189650_100011218213 [0,1,0,0,0,0|2,0,0]=3 3534 B9R0.2 CSCSCCNC(=O)C 62a_100011218213_100000189650 [0,1,0,0,0,0|2,0,0]=3 3535 B9R0.2 CSCSCCNC(=O)N 62a_100011218213_200000034859 [0,1,0,0,0,0|3,0,0]=4 3536 B9R0.2 CSCSCCNC(=O)N 62a_200000034859_100011218213 [0,1,0,0,0,0|3,0,0]=4 3537 B9R0.2 CSCSCCOC(=O)C 62a_100009814007_100011218213 [0,1,0,0,0,0|2,0,0]=3 3538 B9R0.2 CSCSCCOC(=O)C 62a_100011218213_100009814007 [0,1,0,0,0,0|2,0,0]=3 3539 B9R0.2 CSCSCCOC(=O)N 62a_100011218213_200011214921 [0,1,0,0,0,0|3,0,0]=4 3540 B9R0.2 CSCSCCOC(=O)N 62a_200011214921_100011218213 [0,1,0,0,0,0|3,0,0]=4 3541 B9R0.2 C[C@@H](Cl)COCCCCF 34a_100016084084_100000729493 [0,1,0,0,0,0|2,0,1]=4 3542 B9R0.2 C[C@@H](Cl)COCCCCO 34a_100016084084_100011216708 [0,1,0,0,0,0|2,0,1]=4 3543 B9R0.2 C[C@@H](N)CCOCCCF 34a_100000706166_100011934791 [0,1,0,0,0,0|2,0,1]=4 3544 B9R0.2 C[C@@H](N)CCOCCCO 34a_100000706166_100000230001 [0,1,0,0,0,0|2,0,1]=4 3545 B9R0.2 C[C@@H](N)COCCCCF 34a_100000737577_100000729493 [0,1,0,0,0,0|2,0,1]=4 3546 B9R0.2 C[C@@H](N)COCCCCO 34a_100000737577_100011216708 [0,1,0,0,0,0|2,0,1]=4 3547 B9R0.2 C[C@@H](O)CNCCCCO 2230a_100000750430_100009817552 [0,1,0,0,0,0|1,0,2]=4 3548 B9R0.2 C[C@@H](O)CNCCCCO 34a_100000750430_100009817552 [0,1,0,0,0,0|1,0,2]=4 3549 B9R0.2 C[C@@H](O)COCCCCBr 34a_100011216708_100009817552 [0,1,0,0,0,0|1,0,2]=4 3550 B9R0.2 C[C@@H](O)COCCCCCl 34a_100000210776_100009817552 [0,1,0,0,0,0|1,0,2]=4 3551 B9R0.2 C[C@@H](O)COCCCCCl 7a_100000210776_100009817552 [0,1,0,0,0,0|1,0,2]=4 3552 B9R0.2 C[C@@H](O)COCCCCF 34a_100011995726_100009817552 [0,1,0,0,0,0|1,0,2]=4 3553 B9R0.2 C[C@@H](O)COCCCCF 7a_100011995726_100009817552 [0,1,0,0,0,0|1,0,2]=4 3554 B9R0.2 C[C@@H](O)COCCCCI 34a_200012148704_100009817552 [0,1,0,0,0,0|1,0,2]=4 3555 B9R0.2 C[C@@H](O)COCCCCN 34a_100000750430_100009817552 [0,1,0,0,0,0|1,0,2]=4 3556 B9R0.2 C[C@@H](O)CSCCCCF 62a_100000729493_100009817552 [0,1,0,0,0,0|1,0,2]=4 3557 B9R0.2 C[C@@H](O)CSCCCCF 62a_100009817552_100000729493 [0,1,0,0,0,0|1,0,2]=4 3558 B9R0.2 C[C@@H](O)CSCCCCO 62a_100000210776_100009817552 [0,1,0,0,0,0|1,0,2]=4 3559 B9R0.2 C[C@@H](O)CSCCCCO 62a_100009817552_100000210776 [0,1,0,0,0,0|1,0,2]=4 3560 B9R0.2 N#CCCCNCC(=O)N 2230a_100000711301_100000687738 [0,1,0,0,0,0|2,0,1]=4 3561 B9R0.2 N#CCCCNCC(=O)O 269956a_100016091260_100000687738 [0,1,0,0,0,0|2,0,1]=4 3562 B9R0.2 N#CCCCSCC(=O)N 62a_100000687738_100000747473 [0,1,0,0,0,0|2,0,1]=4 3563 B9R0.2 N#CCCCSCC(=O)N 62a_100000747473_100000687738 [0,1,0,0,0,0|2,0,1]=4 3564 B9R0.2 N#CCCCSCC(=O)[O-] 62a_100000687738_100020667443 [0,1,0,0,0,0|2,0,1]=4 3565 B9R0.2 N#CCCCSCC(=O)[O-] 62a_100020667443_100000687738 [0,1,0,0,0,0|2,0,1]=4 3566 B9R0.2 N#CCCOCCC(=O)N 7a_100000757172_100000184422 [0,1,0,0,0,0|2,0,1]=4 3567 B9R0.2 N#CCCSCCC(=O)N 62a_100000744528_100011215226 [0,1,0,0,0,0|2,0,1]=4 3568 B9R0.2 N#CCCSCCC(=O)N 62a_100011215226_100000744528 [0,1,0,0,0,0|2,0,1]=4 3569 B9R0.2 N#CCSCCCC(=O)N 62a_100011215382_100102525003 [0,1,0,0,0,0|2,0,1]=4 3570 B9R0.2 N#CCSCCCC(=O)N 62a_100102525003_100011215382 [0,1,0,0,0,0|2,0,1]=4 3571 B9R0.2 NC(=O)CCCCNCF 34a_100000696515_100015361967 [0,1,0,0,0,0|2,0,0]=3 3572 B9R0.2 NC(=O)CCCCOCF 34a_100012022536_100015361967 [0,1,0,0,0,0|2,0,0]=3 3573 B9R0.2 NC(=O)CCCCOCF 7a_100012022536_100015361967 [0,1,0,0,0,0|2,0,0]=3 3574 B9R0.2 NC(=O)CCCNCC=O 34a_100000739312_200009817547 [0,1,0,0,0,0|2,0,1]=4 3575 B9R0.2 NC(=O)CCCNCCF 34a_100000724931_100102525003 [0,1,0,0,0,0|2,0,0]=3 3576 B9R0.2 NC(=O)CCCNCCF 34a_100000739312_100011217306 [0,1,0,0,0,0|2,0,0]=3 3577 B9R0.2 NC(=O)CCCNCCO 34a_100000739312_100000211926 [0,1,0,0,0,0|2,0,0]=3 3578 B9R0.2 NC(=O)CCCNCCO 34a_100016990907_100102525003 [0,1,0,0,0,0|2,0,0]=3 3579 B9R0.2 NC(=O)CCCOCCBr 34a_100000211926_100102525003 [0,1,0,0,0,0|2,0,0]=3 3580 B9R0.2 NC(=O)CCCSCC=O 62a_100102525003_200015260668 [0,1,0,0,0,0|2,0,1]=4 3581 B9R0.2 NC(=O)CCCSCC=O 62a_200015260668_100102525003 [0,1,0,0,0,0|2,0,1]=4 3582 B9R0.2 NC(=O)CCCSCCF 62a_100011217306_100102525003 [0,1,0,0,0,0|2,0,0]=3 3583 B9R0.2 NC(=O)CCCSCCF 62a_100102525003_100011217306 [0,1,0,0,0,0|2,0,0]=3 3584 B9R0.2 NC(=O)CCCSCCO 62a_100000211926_100102525003 [0,1,0,0,0,0|2,0,0]=3 3585 B9R0.2 NC(=O)CCCSCCO 62a_100102525003_100000211926 [0,1,0,0,0,0|2,0,0]=3 3586 B9R0.2 NC(=O)CCNCCCF 2230a_100015189416_100000744528 [0,1,0,0,0,0|2,0,0]=3 3587 B9R0.2 NC(=O)CCNCCCF 34a_100015189416_100000731001 [0,1,0,0,0,0|2,0,0]=3 3588 B9R0.2 NC(=O)CCOCCCBr 34a_100011217188_100000731001 [0,1,0,0,0,0|2,0,0]=3 3589 B9R0.2 NC(=O)CCOCCCCl 34a_100000230001_100000731001 [0,1,0,0,0,0|2,0,0]=3 3590 B9R0.2 NC(=O)CCOCCCF 34a_100000757172_100011934791 [0,1,0,0,0,0|2,0,0]=3 3591 B9R0.2 NC(=O)CCOCCCF 34a_100000759539_100000731001 [0,1,0,0,0,0|2,0,0]=3 3592 B9R0.2 NC(=O)CCOCCCF 7a_100000757172_100011934791 [0,1,0,0,0,0|2,0,0]=3 3593 B9R0.2 NC(=O)CCOCCCO 34a_100000757172_100000230001 [0,1,0,0,0,0|2,0,0]=3 3594 B9R0.2 NC(=O)CCOCCCO 7a_100000757172_100011215043 [0,1,0,0,0,0|2,0,0]=3 3595 B9R0.2 NC(=O)CCSCCCF 62a_100000744528_100011934791 [0,1,0,0,0,0|2,0,0]=3 3596 B9R0.2 NC(=O)CCSCCCF 62a_100011934791_100000744528 [0,1,0,0,0,0|2,0,0]=3 3597 B9R0.2 NC(=O)CCSCCCO 62a_100000744528_100011215043 [0,1,0,0,0,0|2,0,0]=3 3598 B9R0.2 NC(=O)CCSCCCO 62a_100011215043_100000744528 [0,1,0,0,0,0|2,0,0]=3 3599 B9R0.2 NC(=O)CNCCCC=O 2230a_100000711301_200011292268 [0,1,0,0,0,0|2,0,1]=4 3600 B9R0.2 NC(=O)CNCCCCF 2230a_100000711301_100000729493 [0,1,0,0,0,0|2,0,0]=3 3601 B9R0.2 NC(=O)CNCCCCO 2230a_100000711301_100000210776 [0,1,0,0,0,0|2,0,0]=3 3602 B9R0.2 NC(=O)CNCCCCO 2230a_100000750430_100000747473 [0,1,0,0,0,0|2,0,0]=3 3603 B9R0.2 NC(=O)CNCCCCO 34a_100000750430_100000187820 [0,1,0,0,0,0|2,0,0]=3 3604 B9R0.2 NC(=O)COCCCCBr 34a_100011216708_100000187820 [0,1,0,0,0,0|2,0,0]=3 3605 B9R0.2 NC(=O)COCCCCCl 34a_100000210776_100000187820 [0,1,0,0,0,0|2,0,0]=3 3606 B9R0.2 NC(=O)COCCCCCl 7a_100000210776_100000187820 [0,1,0,0,0,0|2,0,0]=3 3607 B9R0.2 NC(=O)COCCCCF 34a_100011995726_100000187820 [0,1,0,0,0,0|2,0,0]=3 3608 B9R0.2 NC(=O)COCCCCF 7a_100011995726_100000187820 [0,1,0,0,0,0|2,0,0]=3 3609 B9R0.2 NC(=O)COCCCCI 34a_200012148704_100000187820 [0,1,0,0,0,0|2,0,0]=3 3610 B9R0.2 NC(=O)COCCSCF 62a_100000076697_100015361967 [0,1,0,0,0,0|3,0,0]=4 3611 B9R0.2 NC(=O)COCCSCF 62a_100015361967_100000076697 [0,1,0,0,0,0|3,0,0]=4 3612 B9R0.2 NC(=O)CSCCCC=O 62a_100000747473_200011292268 [0,1,0,0,0,0|2,0,1]=4 3613 B9R0.2 NC(=O)CSCCCC=O 62a_200011292268_100000747473 [0,1,0,0,0,0|2,0,1]=4 3614 B9R0.2 NC(=O)CSCCCCF 62a_100000729493_100000747473 [0,1,0,0,0,0|2,0,0]=3 3615 B9R0.2 NC(=O)CSCCCCF 62a_100000747473_100000729493 [0,1,0,0,0,0|2,0,0]=3 3616 B9R0.2 NC(=O)CSCCCCO 62a_100000210776_100000747473 [0,1,0,0,0,0|2,0,0]=3 3617 B9R0.2 NC(=O)CSCCCCO 62a_100000747473_100000210776 [0,1,0,0,0,0|2,0,0]=3 3618 B9R0.2 NC(=O)NCCNCCF 34a_100020590234_100011217306 [0,1,0,0,0,0|3,0,0]=4 3619 B9R0.2 NC(=O)NCCNCCO 2230a_100016997473_200000034859 [0,1,0,0,0,0|3,0,0]=4 3620 B9R0.2 NC(=O)NCCNCCO 34a_100020590234_100000211926 [0,1,0,0,0,0|3,0,0]=4 3621 B9R0.2 NC(=O)NCCOCCF 34a_100000181757_100011217306 [0,1,0,0,0,0|3,0,0]=4 3622 B9R0.2 NC(=O)NCCOCCO 34a_100000181757_100000211926 [0,1,0,0,0,0|3,0,0]=4 3623 B9R0.2 NC(=O)NCCSCCF 62a_100011217306_200000034859 [0,1,0,0,0,0|3,0,0]=4 3624 B9R0.2 NC(=O)NCCSCCF 62a_200000034859_100011217306 [0,1,0,0,0,0|3,0,0]=4 3625 B9R0.2 NC(=O)NCCSCCO 62a_100000211926_200000034859 [0,1,0,0,0,0|3,0,0]=4 3626 B9R0.2 NC(=O)NCCSCCO 62a_200000034859_100000211926 [0,1,0,0,0,0|3,0,0]=4 3627 B9R0.2 NC(=O)OCCNCCF 34a_100000724931_200011214921 [0,1,0,0,0,0|3,0,0]=4 3628 B9R0.2 NC(=O)OCCNCCO 34a_100016990907_200011214921 [0,1,0,0,0,0|3,0,0]=4 3629 B9R0.2 NC(=O)OCCOCCBr 34a_100000211926_200011214921 [0,1,0,0,0,0|3,0,0]=4 3630 B9R0.2 NC(=O)OCCOCCF 7a_100000766696_100011217306 [0,1,0,0,0,0|3,0,0]=4 3631 B9R0.2 NC(=O)OCCOCCO 7a_100000766696_100000211926 [0,1,0,0,0,0|3,0,0]=4 3632 B9R0.2 NC(=O)OCCSCCF 62a_100011217306_200011214921 [0,1,0,0,0,0|3,0,0]=4 3633 B9R0.2 NC(=O)OCCSCCF 62a_200011214921_100011217306 [0,1,0,0,0,0|3,0,0]=4 3634 B9R0.2 NC(=O)OCCSCCO 62a_100000211926_200011214921 [0,1,0,0,0,0|3,0,0]=4 3635 B9R0.2 NC(=O)OCCSCCO 62a_200011214921_100000211926 [0,1,0,0,0,0|3,0,0]=4 3636 B9R0.2 NCCCCOCC(=O)N 34a_100000750430_100000187820 [0,1,0,0,0,0|2,0,0]=3 3637 B9R0.2 NCCCCOCC(=O)[O-] 34a_100000750430_100020667443 [0,1,0,0,0,0|2,0,0]=3 3638 B9R0.2 NCCCCOC[N+](=O)[O-] 34a_100000750430_100000761209 [0,1,0,0,0,0|3,0,0]=4 3639 B9R0.2 NCCCOCCC(=O)N 34a_100000182051_100000731001 [0,1,0,0,0,0|2,0,0]=3 3640 B9R0.2 NCCOCCCC(=O)N 34a_100000210304_100102525003 [0,1,0,0,0,0|2,0,0]=3 3641 B9R0.2 NCCOCCOC(=O)N 34a_100000210304_200011214921 [0,1,0,0,0,0|3,0,0]=4 3642 B9R0.2 NOCCOCCC(=O)N 34a_100000700252_100000731001 [0,1,0,0,0,0|3,0,0]=4 3643 B9R0.2 O=C(O)CNCCCCF 269956a_100016091260_100000729493 [0,1,0,0,0,0|2,0,0]=3 3644 B9R0.2 O=C(O)CNCCCCO 269956a_100016091260_100000210776 [0,1,0,0,0,0|2,0,0]=3 3645 B9R0.2 O=C(O)COCCNCF 269956a_100000700818_100015361967 [0,1,0,0,0,0|3,0,0]=4 3646 B9R0.2 O=C(O)CONCCCF 269956a_100000106656_100011934791 [0,1,0,0,0,0|3,0,0]=4 3647 B9R0.2 O=C(O)CONCCCO 269956a_100000106656_100011215043 [0,1,0,0,0,0|3,0,0]=4 3648 B9R0.2 O=C([O-])CNCCCCO 34a_100000750430_100020667443 [0,1,0,0,0,0|2,0,0]=3 3649 B9R0.2 O=C([O-])COCCCCBr 34a_100011216708_100020667443 [0,1,0,0,0,0|2,0,0]=3 3650 B9R0.2 O=C([O-])COCCCCCl 34a_100000210776_100020667443 [0,1,0,0,0,0|2,0,0]=3 3651 B9R0.2 O=C([O-])COCCCCF 34a_100011995726_100020667443 [0,1,0,0,0,0|2,0,0]=3 3652 B9R0.2 O=C([O-])COCCCCI 34a_200012148704_100020667443 [0,1,0,0,0,0|2,0,0]=3 3653 B9R0.2 O=C([O-])CSCCCCF 62a_100000729493_100020667443 [0,1,0,0,0,0|2,0,0]=3 3654 B9R0.2 O=C([O-])CSCCCCF 62a_100020667443_100000729493 [0,1,0,0,0,0|2,0,0]=3 3655 B9R0.2 O=C([O-])CSCCCCO 62a_100000210776_100020667443 [0,1,0,0,0,0|2,0,0]=3 3656 B9R0.2 O=C([O-])CSCCCCO 62a_100020667443_100000210776 [0,1,0,0,0,0|2,0,0]=3 3657 B9R0.2 O=CCCCNCC(=O)O 269956a_100016091260_200011292268 [0,1,0,0,0,0|2,0,1]=4 3658 B9R0.2 O=CCCCSCC(=O)[O-] 62a_100020667443_200011292268 [0,1,0,0,0,0|2,0,1]=4 3659 B9R0.2 O=CCCCSCC(=O)[O-] 62a_200011292268_100020667443 [0,1,0,0,0,0|2,0,1]=4 3660 B9R0.2 O=[N+]([O-])CCCCOCF 34a_200015379883_100015361967 [0,1,0,0,0,0|3,0,0]=4 3661 B9R0.2 O=[N+]([O-])CCCCOCF 7a_200015379883_100015361967 [0,1,0,0,0,0|3,0,0]=4 3662 B9R0.2 O=[N+]([O-])CCCOCCF 34a_200000037920_100011217306 [0,1,0,0,0,0|3,0,0]=4 3663 B9R0.2 O=[N+]([O-])CCCOCCO 34a_200000037920_100000211926 [0,1,0,0,0,0|3,0,0]=4 3664 B9R0.2 O=[N+]([O-])CNCCCCO 34a_100000750430_100000761209 [0,1,0,0,0,0|3,0,0]=4 3665 B9R0.2 O=[N+]([O-])COCCCCBr 34a_100011216708_100000761209 [0,1,0,0,0,0|3,0,0]=4 3666 B9R0.2 O=[N+]([O-])COCCCCCl 34a_100000210776_100000761209 [0,1,0,0,0,0|3,0,0]=4 3667 B9R0.2 O=[N+]([O-])COCCCCF 34a_100011995726_100000761209 [0,1,0,0,0,0|3,0,0]=4 3668 B9R0.2 O=[N+]([O-])COCCCCI 34a_200012148704_100000761209 [0,1,0,0,0,0|3,0,0]=4 3669 B9R0.2 O=[N+]([O-])CSCCCCF 62a_100000729493_100000761209 [0,1,0,0,0,0|3,0,0]=4 3670 B9R0.2 O=[N+]([O-])CSCCCCO 62a_100000210776_100000761209 [0,1,0,0,0,0|3,0,0]=4 3671 B9R0.2 [13CH3]C(=O)CCCCCCO 1458a_100011996774_200025704644 [0,1,0,0,0,0|0,0,0]=1 3672 B9R0.2 [13CH3]C(=O)CCCCN=[N+]=[N-] 1458a_100000070148_200025704644 [0,1,0,0,0,0|2,0,0]=3 3673 B9R0.2 [13CH3]OCCCCCC(=O)N 34a_100000123541_200025704644 [0,1,0,0,0,0|1,0,0]=2 3674 B9R0.2 [13CH3]OCCCCCC(=O)N 7a_100000123541_200025704644 [0,1,0,0,0,0|1,0,0]=2 3675 B9R0.2 [13CH3]OCCCCCC(=O)[O-] 7a_100102619762_200025704644 [0,1,0,0,0,0|1,0,0]=2 3676 B9R0.2 [13CH3]SCCCCCB(O)O 62a_200009817188_200025704644 [0,1,0,0,0,0|2,0,1]=4 3677 B9R0.2 [13CH3]SCCCCCB(O)O 62a_200025704644_200009817188 [0,1,0,0,0,0|2,0,1]=4 3678 B9R0.2 [13CH3]SCCCCCC(=O)N 62a_100009817443_200025704644 [0,1,0,0,0,0|1,0,0]=2 3679 B9R0.2 [13CH3]SCCCCCC(=O)N 62a_200025704644_100009817443 [0,1,0,0,0,0|1,0,0]=2 3680 B9R0.2 [13CH3]SCCCCO[N+](=O)[O-] 62a_200025704644_100015694321 [0,1,0,0,0,0|3,0,0]=4 3681 B9R0.4 C=C(C)CC(=O)CCCC 1458a_100000210183_100000748629 [0,1,0,0,0,0|1,0,1]=3 3682 B9R0.4 C=C(C)CC(=O)CCOC 1458a_100000749529_100000748629 [0,1,0,0,0,0|2,0,1]=4 3683 B9R0.4 C=C(C)CC(=O)CCSC 1458a_100000174002_100000748629 [0,1,0,0,0,0|2,0,1]=4 3684 B9R0.4 C=C(C)CC(=O)COCC 1458a_100000211967_100000748629 [0,1,0,0,0,0|2,0,1]=4 3685 B9R0.4 C=C(C)CC(=O)CSCC 1458a_100000230394_100000748629 [0,1,0,0,0,0|2,0,1]=4 3686 B9R0.4 C=C(C)CN(C)CCCC 2230a_100000207549_100000748629 [0,1,0,0,0,0|2,0,0]=3 3687 B9R0.4 C=C(C)CN(C)CCCC 2230a_100000225649_100000210211 [0,1,0,0,0,0|2,0,0]=3 3688 B9R0.4 C=C(C)CN(C)CCCC 269982a_100000207549_100000748629 [0,1,0,0,0,0|2,0,0]=3 3689 B9R0.4 C=C(C)CN(C)CCCC 269982a_100000225649_100000210211 [0,1,0,0,0,0|2,0,0]=3 3690 B9R0.4 C=C(C)CN(C)CCCF 2230a_100000225649_100011934791 [0,1,0,0,0,0|3,0,0]=4 3691 B9R0.4 C=C(C)CN(C)CCCF 269982a_100000225649_100011934791 [0,1,0,0,0,0|3,0,0]=4 3692 B9R0.4 C=C(C)CN(C)CCCO 2230a_100000213112_100000748629 [0,1,0,0,0,0|3,0,0]=4 3693 B9R0.4 C=C(C)CN(C)CCCO 2230a_100000225649_100000230001 [0,1,0,0,0,0|3,0,0]=4 3694 B9R0.4 C=C(C)CN(C)CCCO 269982a_100000213112_100000748629 [0,1,0,0,0,0|3,0,0]=4 3695 B9R0.4 C=C(C)CN(C)CCCO 269982a_100000225649_100011215043 [0,1,0,0,0,0|3,0,0]=4 3696 B9R0.4 C=C(C)CN(C)CCOC 2230a_100000225649_100011201679 [0,1,0,0,0,0|3,0,0]=4 3697 B9R0.4 C=C(C)CN(C)CCOC 2230a_100000743101_100000748629 [0,1,0,0,0,0|3,0,0]=4 3698 B9R0.4 C=C(C)CN(C)CCOC 269982a_100000225649_100000233755 [0,1,0,0,0,0|3,0,0]=4 3699 B9R0.4 C=C(C)CN(C)CCOC 269982a_100000743101_100000748629 [0,1,0,0,0,0|3,0,0]=4 3700 B9R0.4 C=C(C)CN(C)CCSC 2230a_100000225649_100000751147 [0,1,0,0,0,0|3,0,0]=4 3701 B9R0.4 C=C(C)CN(C)CCSC 2230a_100000686725_100000748629 [0,1,0,0,0,0|3,0,0]=4 3702 B9R0.4 C=C(C)CN(C)CCSC 269982a_100000225649_100000212216 [0,1,0,0,0,0|3,0,0]=4 3703 B9R0.4 C=C(C)CN(C)CCSC 269982a_100000686725_100000748629 [0,1,0,0,0,0|3,0,0]=4 3704 B9R0.4 C=C(C)CN(C)COCC 269982a_100000225649_100000739092 [0,1,0,0,0,0|3,0,0]=4 3705 B9R0.4 C=C(CC(=O)C)OCOC 1458a_100000070787_100000042856 [0,1,0,0,0,0|2,0,1]=4 3706 B9R0.4 C=C(F)CC(=O)CCCC 1458a_100000210183_100009893438 [0,1,0,0,0,0|1,0,2]=4 3707 B9R0.4 C=C(F)CN(C)CCCC 2230a_100000207549_100009893438 [0,1,0,0,0,0|2,0,1]=4 3708 B9R0.4 C=C(F)CN(C)CCCC 269982a_100000207549_100009893438 [0,1,0,0,0,0|2,0,1]=4 3709 B9R0.4 CC(=O)OC(C)SCCF 62a_100009818208_100011217306 [0,1,0,0,0,0|3,0,0]=4 3710 B9R0.4 CC(=O)OC(C)SCCF 62a_100011217306_100009818208 [0,1,0,0,0,0|3,0,0]=4 3711 B9R0.4 CC(=O)OC(C)SCCO 62a_100000211926_100009818208 [0,1,0,0,0,0|3,0,0]=4 3712 B9R0.4 CC(=O)OC(C)SCCO 62a_100009818208_100000211926 [0,1,0,0,0,0|3,0,0]=4 3713 B9R0.4 CC(C)C[C@H](N)CCO[13CH3] 34a_100161151251_200025704644 [0,1,0,0,0,0|2,0,1]=4 3714 B9R0.4 CCCCC(=O)C=C(C)C 1458a_100000211388_100000210211 [0,1,0,0,0,0|1,0,2]=4 3715 B9R0.4 CCCCC(=O)C=C(C)Cl 1458a_200042562850_100000210211 [0,1,0,0,0,0|1,0,2]=4 3716 B9R0.4 CCCCC(=O)C=C(C)I 1458a_100025716642_100000210211 [0,1,0,0,0,0|1,0,2]=4 3717 B9R0.4 CCCCC(=O)CC(=O)N 1458a_100000210183_100000187820 [0,1,0,0,0,0|1,0,1]=3 3718 B9R0.4 CCCCC(=O)CC(=O)N 1458a_100134613110_100000210211 [0,1,0,0,0,0|1,0,1]=3 3719 B9R0.4 CCCCC(=O)CC(=O)[O-] 1458a_100000210183_100020667443 [0,1,0,0,0,0|1,0,1]=3 3720 B9R0.4 CCCCC(=O)CC(C)C 1458a_100000210183_100000210624 [0,1,0,0,0,0|1,0,2]=4 3721 B9R0.4 CCCCC(=O)CC(C)C 1458a_100000210554_100000210211 [0,1,0,0,0,0|1,0,2]=4 3722 B9R0.4 CCCCC(=O)CC(C)O 1458a_100000210183_100011218427 [0,1,0,0,0,0|0,0,3]=4 3723 B9R0.4 CCCCC(=O)CN(C)C 1458a_100000750896_100000210211 [0,1,0,0,0,0|2,0,1]=4 3724 B9R0.4 CCCCC(=O)C[C@@H](C)O 1458a_100011933948_100000210211 [0,1,0,0,0,0|0,0,3]=4 3725 B9R0.4 CCCCC(=O)C[N+](=O)[O-] 1458a_100000210183_100000761209 [0,1,0,0,0,0|2,0,1]=4 3726 B9R0.4 CCCCC(=O)C[S+](C)C 1458a_200159257847_100000210211 [0,1,0,0,0,0|2,0,1]=4 3727 B9R0.4 CCCCC(C)NC(=O)C 11a_100000126638_100015343762 [0,1,0,0,0,0|1,0,0]=2 3728 B9R0.4 CCCCC(C)NC(=O)C 1626a_100000126638_100015343762 [0,1,0,0,0,0|1,0,0]=2 3729 B9R0.4 CCCCC(C)NC(=O)C 240690a_100000126638_100015343762 [0,1,0,0,0,0|1,0,0]=2 3730 B9R0.4 CCCCC(C)NC(=O)C 527a_100000126638_100103153847 [0,1,0,0,0,0|1,0,0]=2 3731 B9R0.4 CCCCC(C)NC(C)C 2230a_100000126638_100000210206 [0,1,0,0,0,0|2,0,1]=4 3732 B9R0.4 CCCCC(C)NC(C)C 2230a_100138425928_200011215066 [0,1,0,0,0,0|2,0,1]=4 3733 B9R0.4 CCCCC(C)NC(C)C 34a_100138425928_200011215066 [0,1,0,0,0,0|2,0,1]=4 3734 B9R0.4 CCCCC(C)OC(C)C 34a_100000212225_200011215066 [0,1,0,0,0,0|2,0,1]=4 3735 B9R0.4 CCCCC(C)OC(C)C 34a_100000687866_100000210206 [0,1,0,0,0,0|2,0,1]=4 3736 B9R0.4 CCCCC(C)OC(C)C 7a_100000687866_100000210206 [0,1,0,0,0,0|2,0,1]=4 3737 B9R0.4 CCCCC(C)SC(C)C 62a_100000210206_200011215066 [0,1,0,0,0,0|2,0,1]=4 3738 B9R0.4 CCCCC(C)SC(C)C 62a_200011215066_100000210206 [0,1,0,0,0,0|2,0,1]=4 3739 B9R0.4 CCCCN(C)CC(=O)N 2230a_100000207549_100000747473 [0,1,0,0,0,0|2,0,0]=3 3740 B9R0.4 CCCCN(C)CC(=O)N 2230a_100000739694_100000210211 [0,1,0,0,0,0|2,0,0]=3 3741 B9R0.4 CCCCN(C)CC(=O)N 269982a_100000207549_100000187820 [0,1,0,0,0,0|2,0,0]=3 3742 B9R0.4 CCCCN(C)CC(=O)O 269956a_100000746989_100000210211 [0,1,0,0,0,0|2,0,0]=3 3743 B9R0.4 CCCCN(C)CC(=O)[O-] 269982a_100000207549_100020667443 [0,1,0,0,0,0|2,0,0]=3 3744 B9R0.4 CCCCN(C)CC(C)C 2230a_100000207549_100000210760 [0,1,0,0,0,0|2,0,1]=4 3745 B9R0.4 CCCCN(C)CC(C)C 2230a_100000747067_100000210211 [0,1,0,0,0,0|2,0,1]=4 3746 B9R0.4 CCCCN(C)CC(C)C 269982a_100000207549_100000210624 [0,1,0,0,0,0|2,0,1]=4 3747 B9R0.4 CCCCN(C)CC(C)C 269982a_100000747067_100000210211 [0,1,0,0,0,0|2,0,1]=4 3748 B9R0.4 CCCCN(C)CC(C)C 270004a_100000207549_100000210432 [0,1,0,0,0,0|2,0,1]=4 3749 B9R0.4 CCCCN(C)CC(C)O 2230a_100000207549_100011218427 [0,1,0,0,0,0|1,0,2]=4 3750 B9R0.4 CCCCN(C)CC(C)O 2230a_100000227577_100000210211 [0,1,0,0,0,0|1,0,2]=4 3751 B9R0.4 CCCCN(C)CC(C)O 269982a_100000207549_100011218427 [0,1,0,0,0,0|1,0,2]=4 3752 B9R0.4 CCCCN(C)CC(C)O 269982a_100000227577_100000210211 [0,1,0,0,0,0|1,0,2]=4 3753 B9R0.4 CCCCN(C)C[C@@H](C)O 2230a_100000207549_100009817552 [0,1,0,0,0,0|1,0,2]=4 3754 B9R0.4 CCCCN(C)C[C@@H](C)O 269982a_100000207549_100009817552 [0,1,0,0,0,0|1,0,2]=4 3755 B9R0.4 CCCCN(C)C[N+](=O)[O-] 269982a_100000207549_100000761209 [0,1,0,0,0,0|3,0,0]=4 3756 B9R0.4 CCCNC(=O)CC(=O)C 1458a_100000070787_100000183358 [0,1,0,0,0,0|1,0,1]=3 3757 B9R0.4 CCCNC(=O)CC(=O)N 240690a_100020643023_100134613110 [0,1,0,0,0,0|2,0,1]=4 3758 B9R0.4 CCCNC(=O)CC(=O)N 527a_100020643023_100134613110 [0,1,0,0,0,0|2,0,1]=4 3759 B9R0.4 CCCNC(C)CC(C)C 2230a_100000692259_100000210303 [0,1,0,0,0,0|2,0,1]=4 3760 B9R0.4 CCCOC(=O)CC(=O)C 1458a_100000070787_200011215008 [0,1,0,0,0,0|1,0,1]=3 3761 B9R0.4 CCCOC(C)C=C(C)C 34a_100000717055_100000210303 [0,1,0,0,0,0|2,0,1]=4 3762 B9R0.4 CCCOC(C)CC(C)C 34a_100000210258_100000731052 [0,1,0,0,0,0|2,0,1]=4 3763 B9R0.4 CCCOC(C)CC(C)C 34a_100000211805_100000210303 [0,1,0,0,0,0|2,0,1]=4 3764 B9R0.4 CCCOC(C)CC(C)C 7a_100000211805_100000210303 [0,1,0,0,0,0|2,0,1]=4 3765 B9R0.4 CCCSC(C)CC(C)C 62a_100000210303_100000731052 [0,1,0,0,0,0|2,0,1]=4 3766 B9R0.4 CCCSC(C)CC(C)C 62a_100000731052_100000210303 [0,1,0,0,0,0|2,0,1]=4 3767 B9R0.4 CCCSC(C)CN(C)C 62a_100000210303_100020606517 [0,1,0,0,0,0|3,0,0]=4 3768 B9R0.4 CCCSC(C)CN(C)C 62a_100020606517_100000210303 [0,1,0,0,0,0|3,0,0]=4 3769 B9R0.4 CCCSC(C)OC(=O)C 62a_100000210303_100009818208 [0,1,0,0,0,0|2,0,0]=3 3770 B9R0.4 CCCSC(C)OC(=O)C 62a_100009818208_100000210303 [0,1,0,0,0,0|2,0,0]=3 3771 B9R0.4 CCNCC(C)CN(C)C 2230a_100015525214_100015348159 [0,1,0,0,0,0|3,0,0]=4 3772 B9R0.4 CCNCC(O)CC(=O)O 269956a_100011218706_100000210202 [0,1,0,0,0,0|2,0,0]=3 3773 B9R0.4 CCOCC(=O)CC(=O)N 1458a_100000211967_100000187820 [0,1,0,0,0,0|2,0,1]=4 3774 B9R0.4 CCOCC(=O)CC(=O)[O-] 1458a_100000211967_100020667443 [0,1,0,0,0,0|2,0,1]=4 3775 B9R0.4 CCOCN(C)CC(=O)O 269956a_100000746989_100000739092 [0,1,0,0,0,0|3,0,0]=4 3776 B9R0.4 CCOC[C@@H](N)CC(C)C 34a_100011830311_100000210202 [0,1,0,0,0,0|2,0,1]=4 3777 B9R0.4 CCSCC(=O)CC(=O)N 1458a_100000230394_100000187820 [0,1,0,0,0,0|2,0,1]=4 3778 B9R0.4 CCSCC(=O)CC(=O)[O-] 1458a_100000230394_100020667443 [0,1,0,0,0,0|2,0,1]=4 3779 B9R0.4 CCSCC(=O)NC(=O)C 62a_100000210202_100000183797 [0,1,0,0,0,0|2,0,1]=4 3780 B9R0.4 CCSCC(C)CN(C)C 62a_100000210202_100015348159 [0,1,0,0,0,0|3,0,0]=4 3781 B9R0.4 CCSCC(C)CN(C)C 62a_100015348159_100000210202 [0,1,0,0,0,0|3,0,0]=4 3782 B9R0.4 CN(CCCF)CC(=O)N 2230a_100000739694_100011934791 [0,1,0,0,0,0|3,0,0]=4 3783 B9R0.4 CN(CCCF)CC(=O)O 269956a_100000746989_100011934791 [0,1,0,0,0,0|3,0,0]=4 3784 B9R0.4 CN(CCCO)CC(=O)N 2230a_100000213112_100000747473 [0,1,0,0,0,0|3,0,0]=4 3785 B9R0.4 CN(CCCO)CC(=O)N 2230a_100000739694_100000230001 [0,1,0,0,0,0|3,0,0]=4 3786 B9R0.4 CN(CCCO)CC(=O)N 269982a_100000213112_100000187820 [0,1,0,0,0,0|3,0,0]=4 3787 B9R0.4 CN(CCCO)CC(=O)O 269956a_100000746989_100011215043 [0,1,0,0,0,0|3,0,0]=4 3788 B9R0.4 CN(CCCO)CC(=O)[O-] 269982a_100000213112_100020667443 [0,1,0,0,0,0|3,0,0]=4 3789 B9R0.4 COCCC(=O)CC(=O)N 1458a_100000749529_100000187820 [0,1,0,0,0,0|2,0,1]=4 3790 B9R0.4 COCCC(=O)CC(=O)N 1458a_100134613110_100000233755 [0,1,0,0,0,0|2,0,1]=4 3791 B9R0.4 COCCC(=O)CC(=O)[O-] 1458a_100000749529_100020667443 [0,1,0,0,0,0|2,0,1]=4 3792 B9R0.4 COCCN(C)CC(=O)N 2230a_100000739694_100011201679 [0,1,0,0,0,0|3,0,0]=4 3793 B9R0.4 COCCN(C)CC(=O)N 2230a_100000743101_100000747473 [0,1,0,0,0,0|3,0,0]=4 3794 B9R0.4 COCCN(C)CC(=O)N 269982a_100000743101_100000187820 [0,1,0,0,0,0|3,0,0]=4 3795 B9R0.4 COCCN(C)CC(=O)O 269956a_100000746989_100000233755 [0,1,0,0,0,0|3,0,0]=4 3796 B9R0.4 COCCN(C)CC(=O)[O-] 269982a_100000743101_100020667443 [0,1,0,0,0,0|3,0,0]=4 3797 B9R0.4 COCC[C@@H](N)CC(C)C 34a_100161151251_200000210301 [0,1,0,0,0,0|2,0,1]=4 3798 B9R0.4 COCSC(C)OC(=O)C 62a_100000766300_100009818208 [0,1,0,0,0,0|3,0,0]=4 3799 B9R0.4 COCSC(C)OC(=O)C 62a_100009818208_100000766300 [0,1,0,0,0,0|3,0,0]=4 3800 B9R0.4 CSCCC(=O)CC(=O)N 1458a_100000174002_100000187820 [0,1,0,0,0,0|2,0,1]=4 3801 B9R0.4 CSCCC(=O)CC(=O)N 1458a_100134613110_100000751147 [0,1,0,0,0,0|2,0,1]=4 3802 B9R0.4 CSCCC(=O)CC(=O)[O-] 1458a_100000174002_100020667443 [0,1,0,0,0,0|2,0,1]=4 3803 B9R0.4 CSCCN(C)CC(=O)N 2230a_100000686725_100000747473 [0,1,0,0,0,0|3,0,0]=4 3804 B9R0.4 CSCCN(C)CC(=O)N 2230a_100000739694_100000751147 [0,1,0,0,0,0|3,0,0]=4 3805 B9R0.4 CSCCN(C)CC(=O)N 269982a_100000686725_100000187820 [0,1,0,0,0,0|3,0,0]=4 3806 B9R0.4 CSCCN(C)CC(=O)O 269956a_100000746989_100000212216 [0,1,0,0,0,0|3,0,0]=4 3807 B9R0.4 CSCCN(C)CC(=O)[O-] 269982a_100000686725_100020667443 [0,1,0,0,0,0|3,0,0]=4 3808 B9R0.4 CSCSC(C)OC(=O)C 62a_100009818208_100011218213 [0,1,0,0,0,0|3,0,0]=4 3809 B9R0.4 CSCSC(C)OC(=O)C 62a_100011218213_100009818208 [0,1,0,0,0,0|3,0,0]=4 3810 B9R0.4 NC(=O)CC(=O)CCCF 1458a_100134613110_100011934791 [0,1,0,0,0,0|2,0,1]=4 3811 B9R0.4 NC(=O)CC(=O)CCCO 1458a_100134613110_100011215043 [0,1,0,0,0,0|2,0,1]=4 3812 B9R0.4 O=C(O)CC(O)CNCF 269956a_100011218706_100015361967 [0,1,0,0,0,0|3,0,0]=4 3813 B9R0.38 CCCCCNC(C)(C)C 2230a_100000715429_100000210326 [0,1,0,0,0,0|2,0,1]=4 3814 B9R0.38 CCCCCNS(=O)(=O)C 40a_100000209983_100000738038 [0,1,0,0,0,0|2,0,0]=3 3815 B9R0.38 CCCCCOC(C)(C)C 34a_100000210253_100000210625 [0,1,0,0,0,0|2,0,1]=4 3816 B9R0.38 CCCCCOC(C)(C)C 34a_100015890283_100000718602 [0,1,0,0,0,0|2,0,1]=4 3817 B9R0.38 CCCCCOC(C)(C)C 7a_100015890283_100000210326 [0,1,0,0,0,0|2,0,1]=4 3818 B9R0.38 CCCCCSC(C)(C)C 62a_100000210326_100000211941 [0,1,0,0,0,0|2,0,1]=4 3819 B9R0.38 CCCCCSC(C)(C)C 62a_100000211941_100000210326 [0,1,0,0,0,0|2,0,1]=4 3820 B9R0.38 CCCCNCC(C)(C)C 2230a_100000743828_100000210211 [0,1,0,0,0,0|2,0,1]=4 3821 B9R0.38 CCCCNCC(C)(C)C 270004a_100000102301_100011204126 [0,1,0,0,0,0|2,0,1]=4 3822 B9R0.38 CCCCNCC(C)(C)F 2230a_100020643315_100000210211 [0,1,0,0,0,0|2,0,1]=4 3823 B9R0.38 CCCCNCC(C)(C)O 2230a_100000751335_100000210211 [0,1,0,0,0,0|1,0,2]=4 3824 B9R0.38 CCCCNCC(C)(C)O 7a_106832991798_100000764493 [0,1,0,0,0,0|1,0,2]=4 3825 B9R0.38 CCCCNC[Si](C)(C)C 2230a_100000102301_100000037933 [0,1,0,0,0,0|2,1,0]=4 3826 B9R0.38 CCCCNC[Si](C)(C)C 7a_106832991798_100000233785 [0,1,0,0,0,0|2,1,0]=4 3827 B9R0.38 CCCCNNS(=O)(=O)C 40a_100025702795_100000738038 [0,1,0,0,0,0|3,0,0]=4 3828 B9R0.38 CCCCOCC(C)(C)C 34a_100000210227_100011219605 [0,1,0,0,0,0|2,0,1]=4 3829 B9R0.38 CCCCOCC(C)(C)F 34a_100000210227_100011997219 [0,1,0,0,0,0|2,0,1]=4 3830 B9R0.38 CCCCOCC(C)(C)F 34a_100000716592_100000210210 [0,1,0,0,0,0|2,0,1]=4 3831 B9R0.38 CCCCOCC(C)(C)O 34a_100000210227_100000764493 [0,1,0,0,0,0|1,0,2]=4 3832 B9R0.38 CCCCOCC(C)(C)O 7a_100000210227_100000764493 [0,1,0,0,0,0|1,0,2]=4 3833 B9R0.38 CCCCOCC(C)(F)F 34a_100000068830_100000210210 [0,1,0,0,0,0|2,0,1]=4 3834 B9R0.38 CCCCOCS(=O)(=O)[O-] 34a_100000210227_100009817235 [0,1,0,0,0,0|3,0,0]=4 3835 B9R0.38 CCCCOC[Si](C)(C)C 7a_100000210227_100000233785 [0,1,0,0,0,0|2,1,0]=4 3836 B9R0.38 CCCCSCC(C)(C)C 62a_100000210211_100011219605 [0,1,0,0,0,0|2,0,1]=4 3837 B9R0.38 CCCCSCC(C)(C)C 62a_100011219605_100000210210 [0,1,0,0,0,0|2,0,1]=4 3838 B9R0.38 CCCCSCC(C)(C)F 62a_100000210211_100011997219 [0,1,0,0,0,0|2,0,1]=4 3839 B9R0.38 CCCCSCC(C)(C)F 62a_100011997219_100000210210 [0,1,0,0,0,0|2,0,1]=4 3840 B9R0.38 CCCCSCC(C)(C)O 62a_100000210211_100000764493 [0,1,0,0,0,0|1,0,2]=4 3841 B9R0.38 CCCCSCC(C)(C)O 62a_100000764493_100000210210 [0,1,0,0,0,0|1,0,2]=4 3842 B9R0.38 CCCCSCS(=O)(=O)N 62a_100000210211_100000741382 [0,1,0,0,0,0|3,0,0]=4 3843 B9R0.38 CCCCSCS(=O)(=O)N 62a_100000741382_100000210210 [0,1,0,0,0,0|3,0,0]=4 3844 B9R0.38 CCCCSCS(=O)(=O)[O-] 62a_100000210211_100009817235 [0,1,0,0,0,0|3,0,0]=4 3845 B9R0.38 CCCCSCS(=O)(=O)[O-] 62a_100009817235_100000210210 [0,1,0,0,0,0|3,0,0]=4 3846 B9R0.38 CCCCSC[N+](C)(C)C 62a_100000210211_200000036245 [0,1,0,0,0,0|3,0,0]=4 3847 B9R0.38 CCCCSC[N+](C)(C)C 62a_200000036245_100000210210 [0,1,0,0,0,0|3,0,0]=4 3848 B9R0.38 CCCCSC[Si](C)(C)C 62a_100000037933_100000210210 [0,1,0,0,0,0|2,1,0]=4 3849 B9R0.38 CCCCSC[Si](C)(C)C 62a_100000210211_100000037933 [0,1,0,0,0,0|2,1,0]=4 3850 B9R0.38 CCCNCCC(C)(C)C 2230a_100000738805_100000210303 [0,1,0,0,0,0|2,0,1]=4 3851 B9R0.38 CCCNCCC(C)(C)F 2230a_100016253952_100000210303 [0,1,0,0,0,0|2,0,1]=4 3852 B9R0.38 CCCNCCS(=O)(=O)C 2230a_100000740961_100000210303 [0,1,0,0,0,0|2,0,0]=3 3853 B9R0.38 CCCNCCS(=O)(=O)C 34a_100000740961_100000210303 [0,1,0,0,0,0|2,0,0]=3 3854 B9R0.38 CCCNCCS(=O)(=O)N 2230a_100000738205_100000210303 [0,1,0,0,0,0|3,0,0]=4 3855 B9R0.38 CCCNCCS(=O)(=O)N 34a_100000738205_100000210303 [0,1,0,0,0,0|3,0,0]=4 3856 B9R0.38 CCCOCCC(C)(C)C 34a_100000210258_100000755188 [0,1,0,0,0,0|2,0,1]=4 3857 B9R0.38 CCCOCCC(C)(C)C 7a_100000765024_100000210303 [0,1,0,0,0,0|2,0,1]=4 3858 B9R0.38 CCCOCCC(C)(C)O 34a_100000210258_100000702414 [0,1,0,0,0,0|1,0,2]=4 3859 B9R0.38 CCCOCCS(=O)(=O)C 34a_100000210258_100000731031 [0,1,0,0,0,0|2,0,0]=3 3860 B9R0.38 CCCOCCS(=O)(=O)C 34a_100000211924_100000210303 [0,1,0,0,0,0|2,0,0]=3 3861 B9R0.38 CCCOCCS(=O)(=O)C 7a_100000211924_100000210303 [0,1,0,0,0,0|2,0,0]=3 3862 B9R0.38 CCCOCCS(=O)(=O)N 34a_100012334274_100000210303 [0,1,0,0,0,0|3,0,0]=4 3863 B9R0.38 CCCOCCS(=O)(=O)[O-] 34a_100000210258_100000762736 [0,1,0,0,0,0|3,0,0]=4 3864 B9R0.38 CCCOCC[N+](C)(C)C 34a_100000210258_100000085578 [0,1,0,0,0,0|3,0,0]=4 3865 B9R0.38 CCCOCC[N+](C)(C)C 7a_200020618287_100000210303 [0,1,0,0,0,0|3,0,0]=4 3866 B9R0.38 CCCOCC[Si](C)(C)C 34a_100000210258_200000733723 [0,1,0,0,0,0|2,1,0]=4 3867 B9R0.38 CCCOCC[Si](C)(C)C 7a_100000039746_100000210303 [0,1,0,0,0,0|2,1,0]=4 3868 B9R0.38 CCCSCCC(C)(C)C 62a_100000210303_100000755188 [0,1,0,0,0,0|2,0,1]=4 3869 B9R0.38 CCCSCCC(C)(C)C 62a_100000755188_100000210303 [0,1,0,0,0,0|2,0,1]=4 3870 B9R0.38 CCCSCCC(C)(C)O 62a_100000210303_100000702414 [0,1,0,0,0,0|1,0,2]=4 3871 B9R0.38 CCCSCCC(C)(C)O 62a_100000702414_100000210303 [0,1,0,0,0,0|1,0,2]=4 3872 B9R0.38 CCCSCCS(=O)(=O)C 62a_100000210303_100000230027 [0,1,0,0,0,0|2,0,0]=3 3873 B9R0.38 CCCSCCS(=O)(=O)C 62a_100000731031_100000210303 [0,1,0,0,0,0|2,0,0]=3 3874 B9R0.38 CCCSCCS(=O)(=O)[O-] 62a_100000210303_100000762736 [0,1,0,0,0,0|3,0,0]=4 3875 B9R0.38 CCCSCCS(=O)(=O)[O-] 62a_100000762736_100000210303 [0,1,0,0,0,0|3,0,0]=4 3876 B9R0.38 CCCSCC[N+](C)(C)C 62a_100000085578_100000210303 [0,1,0,0,0,0|3,0,0]=4 3877 B9R0.38 CCCSCC[N+](C)(C)C 62a_100000210303_100000085578 [0,1,0,0,0,0|3,0,0]=4 3878 B9R0.38 CCCSCC[Si](C)(C)C 62a_100000210303_200000733723 [0,1,0,0,0,0|2,1,0]=4 3879 B9R0.38 CCCSCC[Si](C)(C)C 62a_200000733723_100000210303 [0,1,0,0,0,0|2,1,0]=4 3880 B9R0.38 CCNCCCC(C)(C)O 2230a_100015525214_100009888830 [0,1,0,0,0,0|1,0,2]=4 3881 B9R0.38 CCNCCCS(=O)(=O)C 2230a_100000742409_100000210202 [0,1,0,0,0,0|2,0,0]=3 3882 B9R0.38 CCNCCCS(=O)(=O)C 2230a_100015525214_100000754308 [0,1,0,0,0,0|2,0,0]=3 3883 B9R0.38 CCNCCCS(=O)(=O)C 34a_100000742409_100000210202 [0,1,0,0,0,0|2,0,0]=3 3884 B9R0.38 CCNCCCS(=O)(=O)N 2230a_100015525214_100000750626 [0,1,0,0,0,0|3,0,0]=4 3885 B9R0.38 CCNCCC[N+](C)(C)C 2230a_100015525214_100016990835 [0,1,0,0,0,0|3,0,0]=4 3886 B9R0.38 CCNCCC[Si](C)(C)C 2230a_100015525214_100011219597 [0,1,0,0,0,0|2,1,0]=4 3887 B9R0.38 CCNCCNS(=O)(=O)C 2230a_100015525214_100000754112 [0,1,0,0,0,0|3,0,0]=4 3888 B9R0.38 CCNCCNS(=O)(=O)C 34a_100000752411_100000210202 [0,1,0,0,0,0|3,0,0]=4 3889 B9R0.38 CCNCCOS(=O)(=O)C 2230a_100015525214_200000036756 [0,1,0,0,0,0|3,0,0]=4 3890 B9R0.38 CCOCCCC(C)(C)O 34a_100121572206_100009888830 [0,1,0,0,0,0|1,0,2]=4 3891 B9R0.38 CCOCCCS(=O)(=O)C 34a_100000689940_100000210202 [0,1,0,0,0,0|2,0,0]=3 3892 B9R0.38 CCOCCCS(=O)(=O)C 34a_100121572206_100000754308 [0,1,0,0,0,0|2,0,0]=3 3893 B9R0.38 CCOCCCS(=O)(=O)C 7a_100000689940_100000210202 [0,1,0,0,0,0|2,0,0]=3 3894 B9R0.38 CCOCCCS(=O)(=O)N 34a_100121572206_100000750626 [0,1,0,0,0,0|3,0,0]=4 3895 B9R0.38 CCOCCCS(=O)(=O)[O-] 34a_100121572206_100009813499 [0,1,0,0,0,0|3,0,0]=4 3896 B9R0.38 CCOCCC[N+](C)(C)C 34a_100121572206_100016990835 [0,1,0,0,0,0|3,0,0]=4 3897 B9R0.38 CCOCCC[Si](C)(C)C 34a_100121572206_100011219597 [0,1,0,0,0,0|2,1,0]=4 3898 B9R0.38 CCOCCC[Si](C)(C)C 7a_200011215415_100000210202 [0,1,0,0,0,0|2,1,0]=4 3899 B9R0.38 CCOCCNS(=O)(=O)C 40a_100011200944_100000738038 [0,1,0,0,0,0|3,0,0]=4 3900 B9R0.38 CCOCCOS(=O)(=O)C 34a_100121572206_200000036756 [0,1,0,0,0,0|3,0,0]=4 3901 B9R0.38 CCSCCCC(C)(C)O 62a_100000210202_100009888830 [0,1,0,0,0,0|1,0,2]=4 3902 B9R0.38 CCSCCCC(C)(C)O 62a_100009888830_100000210202 [0,1,0,0,0,0|1,0,2]=4 3903 B9R0.38 CCSCCCS(=O)(=O)C 62a_100000210202_100000754308 [0,1,0,0,0,0|2,0,0]=3 3904 B9R0.38 CCSCCCS(=O)(=O)C 62a_100000754308_100000210202 [0,1,0,0,0,0|2,0,0]=3 3905 B9R0.38 CCSCCCS(=O)(=O)N 62a_100000210202_100000750626 [0,1,0,0,0,0|3,0,0]=4 3906 B9R0.38 CCSCCCS(=O)(=O)N 62a_100000750626_100000210202 [0,1,0,0,0,0|3,0,0]=4 3907 B9R0.38 CCSCCCS(=O)(=O)[O-] 62a_100000210202_100009813499 [0,1,0,0,0,0|3,0,0]=4 3908 B9R0.38 CCSCCCS(=O)(=O)[O-] 62a_100009813499_100000210202 [0,1,0,0,0,0|3,0,0]=4 3909 B9R0.38 CCSCCC[N+](C)(C)C 62a_100000210202_100016990835 [0,1,0,0,0,0|3,0,0]=4 3910 B9R0.38 CCSCCC[N+](C)(C)C 62a_100016990835_100000210202 [0,1,0,0,0,0|3,0,0]=4 3911 B9R0.38 CCSCCC[Si](C)(C)C 62a_100000210202_100011219597 [0,1,0,0,0,0|2,1,0]=4 3912 B9R0.38 CCSCCC[Si](C)(C)C 62a_100011219597_100000210202 [0,1,0,0,0,0|2,1,0]=4 3913 B9R0.38 CCSCCNS(=O)(=O)C 40a_100000106463_100000738038 [0,1,0,0,0,0|3,0,0]=4 3914 B9R0.38 CCSCCNS(=O)(=O)C 62a_100000210202_100000754112 [0,1,0,0,0,0|3,0,0]=4 3915 B9R0.38 CCSCCNS(=O)(=O)C 62a_100000754112_100000210202 [0,1,0,0,0,0|3,0,0]=4 3916 B9R0.38 CCSCCOS(=O)(=O)C 62a_100000210202_200000036756 [0,1,0,0,0,0|3,0,0]=4 3917 B9R0.38 CCSCCOS(=O)(=O)C 62a_200000036756_100000210202 [0,1,0,0,0,0|3,0,0]=4 3918 B9R0.38 CNCCCNS(=O)(=O)C 34a_100000736790_200000210301 [0,1,0,0,0,0|3,0,0]=4 3919 B9R0.38 COCCCC[Si](C)(C)C 7a_200009881916_200000210301 [0,1,0,0,0,0|2,1,0]=4 3920 B9R0.38 COCCCNS(=O)(=O)C 40a_100150723488_100000738038 [0,1,0,0,0,0|3,0,0]=4 3921 B9R0.38 COCNCCS(=O)(=O)C 2230a_100000740961_100000766300 [0,1,0,0,0,0|3,0,0]=4 3922 B9R0.38 COCSCCS(=O)(=O)C 62a_100000731031_100000766300 [0,1,0,0,0,0|3,0,0]=4 3923 B9R0.38 COCSCCS(=O)(=O)C 62a_100000766300_100000230027 [0,1,0,0,0,0|3,0,0]=4 3924 B9R0.38 CS(=O)(=O)CCCNCF 34a_100000742409_100015361967 [0,1,0,0,0,0|3,0,0]=4 3925 B9R0.38 CS(=O)(=O)CCCOCF 34a_100000689940_100015361967 [0,1,0,0,0,0|3,0,0]=4 3926 B9R0.38 CS(=O)(=O)CCCOCF 7a_100000689940_100015361967 [0,1,0,0,0,0|3,0,0]=4 3927 B9R0.38 CS(=O)(=O)CCCSCF 62a_100000754308_100015361967 [0,1,0,0,0,0|3,0,0]=4 3928 B9R0.38 CS(=O)(=O)CCCSCF 62a_100015361967_100000754308 [0,1,0,0,0,0|3,0,0]=4 3929 B9R0.38 CS(=O)(=O)CCNCCF 2230a_100000740961_100011217306 [0,1,0,0,0,0|3,0,0]=4 3930 B9R0.38 CS(=O)(=O)CCNCCF 34a_100000724931_100000731031 [0,1,0,0,0,0|3,0,0]=4 3931 B9R0.38 CS(=O)(=O)CCNCCF 34a_100000740961_100011217306 [0,1,0,0,0,0|3,0,0]=4 3932 B9R0.38 CS(=O)(=O)CCNCCO 2230a_100000740961_100000211926 [0,1,0,0,0,0|3,0,0]=4 3933 B9R0.38 CS(=O)(=O)CCNCCO 2230a_100016997473_100000731031 [0,1,0,0,0,0|3,0,0]=4 3934 B9R0.38 CS(=O)(=O)CCNCCO 34a_100000740961_100000211926 [0,1,0,0,0,0|3,0,0]=4 3935 B9R0.38 CS(=O)(=O)CCNCCO 34a_100016990907_100000731031 [0,1,0,0,0,0|3,0,0]=4 3936 B9R0.38 CS(=O)(=O)CCOCCBr 34a_100000211926_100000731031 [0,1,0,0,0,0|3,0,0]=4 3937 B9R0.38 CS(=O)(=O)CCOCCF 34a_100000211924_100011217306 [0,1,0,0,0,0|3,0,0]=4 3938 B9R0.38 CS(=O)(=O)CCOCCF 7a_100000211924_100011217306 [0,1,0,0,0,0|3,0,0]=4 3939 B9R0.38 CS(=O)(=O)CCOCCN 34a_100000210304_100000731031 [0,1,0,0,0,0|3,0,0]=4 3940 B9R0.38 CS(=O)(=O)CCOCCO 34a_100000211924_100000211926 [0,1,0,0,0,0|3,0,0]=4 3941 B9R0.38 CS(=O)(=O)CCOCCO 7a_100000211924_100000211926 [0,1,0,0,0,0|3,0,0]=4 3942 B9R0.38 CS(=O)(=O)CCSCCF 62a_100000731031_100011217306 [0,1,0,0,0,0|3,0,0]=4 3943 B9R0.38 CS(=O)(=O)CCSCCF 62a_100011217306_100000230027 [0,1,0,0,0,0|3,0,0]=4 3944 B9R0.38 CS(=O)(=O)CCSCCO 62a_100000211926_100000230027 [0,1,0,0,0,0|3,0,0]=4 3945 B9R0.38 CS(=O)(=O)CCSCCO 62a_100000731031_100000211926 [0,1,0,0,0,0|3,0,0]=4 3946 B9R0.38 CS(=O)(=O)NCCCCO 40a_100000750430_100000738038 [0,1,0,0,0,0|3,0,0]=4 3947 B9R0.38 CS(=O)(=O)NCCCN[13CH3] 34a_100000736790_200025704644 [0,1,0,0,0,0|3,0,0]=4 3948 B9R0.38 CSCCCNS(=O)(=O)C 40a_100000749238_100000738038 [0,1,0,0,0,0|3,0,0]=4 3949 B9R0.38 CSCNCCS(=O)(=O)C 2230a_100000740961_100011218213 [0,1,0,0,0,0|3,0,0]=4 3950 B9R0.38 CSCNCCS(=O)(=O)C 34a_100000740961_100011218213 [0,1,0,0,0,0|3,0,0]=4 3951 B9R0.38 CSCOCCS(=O)(=O)C 34a_100000211924_100011218213 [0,1,0,0,0,0|3,0,0]=4 3952 B9R0.38 CSCSCCS(=O)(=O)C 62a_100000731031_100011218213 [0,1,0,0,0,0|3,0,0]=4 3953 B9R0.38 CSCSCCS(=O)(=O)C 62a_100011218213_100000230027 [0,1,0,0,0,0|3,0,0]=4 3954 B9R0.38 C[Si](C)(C)CCCCO[13CH3] 7a_200009881916_200025704644 [0,1,0,0,0,0|2,1,0]=4 3955 B9R0.46 C#C/C(=C\COCCC)/C 34a_100016990848_100000210303 [0,1,0,0,0,0|2,0,1]=4 3956 B9R0.46 C#CC(=NNCCCC)C 4a_100025702795_100000690481 [0,1,0,0,0,0|3,0,0]=4 3957 B9R0.46 C#CC(=O)CC/C=C\CC 1458a_100000211873_100015370543 [0,1,0,0,0,0|0,0,3]=4 3958 B9R0.46 C#CC(=O)CCCCC#N 1458a_100000211873_100000211819 [0,1,0,0,0,0|1,0,2]=4 3959 B9R0.46 C#CC(=O)CCCCC=C 1458a_100000211873_100011215482 [0,1,0,0,0,0|0,0,3]=4 3960 B9R0.46 C#CC(=O)CCCCCC 1458a_100000211873_100000210757 [0,1,0,0,0,0|0,0,1]=2 3961 B9R0.46 C#CC(=O)CCCCCF 1458a_100000211873_100000729378 [0,1,0,0,0,0|1,0,1]=3 3962 B9R0.46 C#CC(=O)CCCCCO 1458a_100000211873_100000746330 [0,1,0,0,0,0|1,0,1]=3 3963 B9R0.46 C#CC(=O)CCCCOC 1458a_100000211873_100000755781 [0,1,0,0,0,0|1,0,1]=3 3964 B9R0.46 C#CC(=O)CCCOCC 1458a_100000211873_100012232248 [0,1,0,0,0,0|1,0,1]=3 3965 B9R0.46 C#CC(=O)CCOCCC 1458a_100000211873_100011215938 [0,1,0,0,0,0|1,0,1]=3 3966 B9R0.46 C#CC(=O)CCOCCO 1458a_100000211873_100011215305 [0,1,0,0,0,0|2,0,1]=4 3967 B9R0.46 C#CC(=O)COCCCC 1458a_100000211873_100011995733 [0,1,0,0,0,0|1,0,1]=3 3968 B9R0.46 C#CC(C)NCCCCC 2230a_100000707721_100000210326 [0,1,0,0,0,0|2,0,1]=4 3969 B9R0.46 C#CC(C)NCCCCC 34a_100000707721_100000718602 [0,1,0,0,0,0|2,0,1]=4 3970 B9R0.46 C#CC(C)OCCCCC 34a_100000210253_200000035995 [0,1,0,0,0,0|2,0,1]=4 3971 B9R0.46 C#CC(C)SCCCCC 62a_200000035995_100000210326 [0,1,0,0,0,0|2,0,1]=4 3972 B9R0.46 C#CCCCCC(=O)C#C 1458a_100000211873_100010269958 [0,1,0,0,0,0|0,0,3]=4 3973 B9R0.46 C#CCCCCC(=O)C=C 1458a_100000185746_100010269958 [0,1,0,0,0,0|0,0,3]=4 3974 B9R0.46 C#CCCCCC(=O)CC 1458a_100000210414_100010269958 [0,1,0,0,0,0|0,0,2]=3 3975 B9R0.46 C#CCCCCC(=O)CC 1458a_100000696528_100000210202 [0,1,0,0,0,0|0,0,2]=3 3976 B9R0.46 C#CCCCCC(=O)CF 1458a_100000696528_100015361967 [0,1,0,0,0,0|0,0,2]=3 3977 B9R0.46 C#CCCCCC(=O)CO 1458a_100000210174_100010269958 [0,1,0,0,0,0|0,0,2]=3 3978 B9R0.46 C#CCCCCC(=O)NC 11a_106832991635_100000696528 [0,1,0,0,0,0|0,0,2]=3 3979 B9R0.46 C#CCCCCC(=O)NC 1626a_100102657272_100000696528 [0,1,0,0,0,0|0,0,2]=3 3980 B9R0.46 C#CCCCCC(=O)NC 240690a_100102657272_100000696528 [0,1,0,0,0,0|0,0,2]=3 3981 B9R0.46 C#CCCCCC(=O)NC 527a_100102657272_100000696528 [0,1,0,0,0,0|0,0,2]=3 3982 B9R0.46 C#CCCCNC(=O)CC 11a_100000718082_100000210414 [0,1,0,0,0,0|1,0,2]=4 3983 B9R0.46 C#CCCCNC(=O)CC 1626a_100000718082_100000210414 [0,1,0,0,0,0|1,0,2]=4 3984 B9R0.46 C#CCCCNC(=O)CC 240690a_100000718082_100000210414 [0,1,0,0,0,0|1,0,2]=4 3985 B9R0.46 C#CCCCNC(=O)CC 527a_100000718082_100000210414 [0,1,0,0,0,0|1,0,2]=4 3986 B9R0.46 C#CCCCNC(=O)CO 240690a_100000718082_100000210174 [0,1,0,0,0,0|1,0,2]=4 3987 B9R0.46 C#CCCCNC(=O)CO 527a_100000718082_100000210174 [0,1,0,0,0,0|1,0,2]=4 3988 B9R0.46 C#CCCCNC(=O)NC 2708a_100000718082_106832991635 [0,1,0,0,0,0|1,0,2]=4 3989 B9R0.46 C#CCCCNC(=O)NC 2708a_100102657272_100000718082 [0,1,0,0,0,0|1,0,2]=4 3990 B9R0.46 C#CCCCNC(=O)NC 273464a_100000718082_100102657272 [0,1,0,0,0,0|1,0,2]=4 3991 B9R0.46 C#CCCCNC(=O)NC 273464a_100102657272_100000718082 [0,1,0,0,0,0|1,0,2]=4 3992 B9R0.46 C#CCCCNC(=O)NC 512a_100000718082_100102657272 [0,1,0,0,0,0|1,0,2]=4 3993 B9R0.46 C#CCCCNC(=O)NC 512a_106832991638_100000718082 [0,1,0,0,0,0|1,0,2]=4 3994 B9R0.46 C#CCCNCC(=O)NC 2230a_100000693194_100000688953 [0,1,0,0,0,0|1,0,2]=4 3995 B9R0.46 C#CCCNCC(=O)NC 34a_100000755551_100000183359 [0,1,0,0,0,0|1,0,2]=4 3996 B9R0.46 C#CCCNCC(=O)OC 34a_100000755551_100000747449 [0,1,0,0,0,0|1,0,2]=4 3997 B9R0.46 C#CCCOCC(=O)CC 34a_100000725409_100000688953 [0,1,0,0,0,0|1,0,2]=4 3998 B9R0.46 C#CCCOCC(=O)NC 34a_100000750040_100000688953 [0,1,0,0,0,0|1,0,2]=4 3999 B9R0.46 C#CCCOCC(=O)NC 34a_100011215631_100000183359 [0,1,0,0,0,0|1,0,2]=4 4000 B9R0.46 C#CCCOCC(=O)OC 34a_100011215631_100000747449 [0,1,0,0,0,0|1,0,2]=4 4001 B9R0.46 C#CCCSCC(=O)CC 62a_100000688953_100000747405 [0,1,0,0,0,0|1,0,2]=4 4002 B9R0.46 C#CCCSCC(=O)CC 62a_100000747405_100000688953 [0,1,0,0,0,0|1,0,2]=4 4003 B9R0.46 C#CCCSCC(=O)NC 62a_100000183359_100000688953 [0,1,0,0,0,0|1,0,2]=4 4004 B9R0.46 C#CCCSCC(=O)NC 62a_100000688953_100000183359 [0,1,0,0,0,0|1,0,2]=4 4005 B9R0.46 C#CCCSCC(=O)OC 62a_100000688953_100000747449 [0,1,0,0,0,0|1,0,2]=4 4006 B9R0.46 C#CCCSCC(=O)OC 62a_100000747449_100000688953 [0,1,0,0,0,0|1,0,2]=4 4007 B9R0.46 C#CCNCCC(=O)NC 2230a_100000738227_100000038162 [0,1,0,0,0,0|1,0,2]=4 4008 B9R0.46 C#CCNCCC(=O)NC 34a_100000212058_100012179268 [0,1,0,0,0,0|1,0,2]=4 4009 B9R0.46 C#CCNCCC(=O)NC 34a_100000738227_100000184674 [0,1,0,0,0,0|1,0,2]=4 4010 B9R0.46 C#CCNCCC(=O)OC 34a_100000212058_100000742370 [0,1,0,0,0,0|1,0,2]=4 4011 B9R0.46 C#CCOCCC(=O)CC 1458a_100000210414_100010402529 [0,1,0,0,0,0|1,0,2]=4 4012 B9R0.46 C#CCOCCC(=O)CC 1458a_100000693358_100000210202 [0,1,0,0,0,0|1,0,2]=4 4013 B9R0.46 C#CCOCCC(=O)CF 1458a_100000693358_100015361967 [0,1,0,0,0,0|1,0,2]=4 4014 B9R0.46 C#CCOCCC(=O)CO 1458a_100000210174_100010402529 [0,1,0,0,0,0|1,0,2]=4 4015 B9R0.46 C#CCOCCC(=O)NC 11a_106832991635_100000693358 [0,1,0,0,0,0|1,0,2]=4 4016 B9R0.46 C#CCOCCC(=O)NC 1626a_100102657272_100000693358 [0,1,0,0,0,0|1,0,2]=4 4017 B9R0.46 C#CCOCCC(=O)NC 240690a_100102657272_100000693358 [0,1,0,0,0,0|1,0,2]=4 4018 B9R0.46 C#CCOCCC(=O)NC 34a_100000210247_100012179268 [0,1,0,0,0,0|1,0,2]=4 4019 B9R0.46 C#CCOCCC(=O)NC 34a_100000754576_100000184674 [0,1,0,0,0,0|1,0,2]=4 4020 B9R0.46 C#CCOCCC(=O)NC 527a_100102657272_100000693358 [0,1,0,0,0,0|1,0,2]=4 4021 B9R0.46 C#CCOCCC(=O)OC 34a_100000210247_100000742370 [0,1,0,0,0,0|1,0,2]=4 4022 B9R0.46 C#CCSCCC(=O)NC 62a_100000038162_100000737683 [0,1,0,0,0,0|1,0,2]=4 4023 B9R0.46 C#CCSCCC(=O)OC 62a_100000038162_100000204255 [0,1,0,0,0,0|1,0,2]=4 4024 B9R0.46 C#C[C@@H](C)OCCCCC 34a_100009815206_100000718602 [0,1,0,0,0,0|2,0,1]=4 4025 B9R0.46 C#C[C@@H](C)OCCCCC 7a_100009815206_100000210326 [0,1,0,0,0,0|2,0,1]=4 4026 B9R0.46 C/C=C/COCC(=O)CC 34a_100000725409_100102629194 [0,1,0,0,0,0|1,0,2]=4 4027 B9R0.46 C/C=C/COCC(=O)NC 34a_100000750040_100102629194 [0,1,0,0,0,0|1,0,2]=4 4028 B9R0.46 C/C=C/COCC(=O)NC 34a_100016270725_100000183359 [0,1,0,0,0,0|1,0,2]=4 4029 B9R0.46 C/C=C/COCC(=O)OC 34a_100016270725_100000747449 [0,1,0,0,0,0|1,0,2]=4 4030 B9R0.46 C/C=C/CSCC(=O)CC 62a_100000747405_100102629194 [0,1,0,0,0,0|1,0,2]=4 4031 B9R0.46 C/C=C/CSCC(=O)CC 62a_100102629194_100000747405 [0,1,0,0,0,0|1,0,2]=4 4032 B9R0.46 C/C=C/CSCC(=O)NC 62a_100000183359_100102629194 [0,1,0,0,0,0|1,0,2]=4 4033 B9R0.46 C/C=C/CSCC(=O)NC 62a_100102629194_100000183359 [0,1,0,0,0,0|1,0,2]=4 4034 B9R0.46 C/C=C/CSCC(=O)OC 62a_100000747449_100102629194 [0,1,0,0,0,0|1,0,2]=4 4035 B9R0.46 C/C=C/CSCC(=O)OC 62a_100102629194_100000747449 [0,1,0,0,0,0|1,0,2]=4 4036 B9R0.46 C=C(C#N)CNCCCC 2230a_100000102301_100000694840 [0,1,0,0,0,0|2,0,1]=4 4037 B9R0.46 C=C(C#N)COCCCC 34a_100000210227_100000694840 [0,1,0,0,0,0|2,0,1]=4 4038 B9R0.46 C=C(C#N)CSCCCC 62a_100000210211_100000694840 [0,1,0,0,0,0|2,0,1]=4 4039 B9R0.46 C=CC(=NNCCCC)C 4a_100025702795_200015361842 [0,1,0,0,0,0|3,0,0]=4 4040 B9R0.46 C=CC(=O)CC/C=C\CC 1458a_100000185746_100015370543 [0,1,0,0,0,0|0,0,3]=4 4041 B9R0.46 C=CC(=O)CCCCC#N 1458a_100000185746_100000211819 [0,1,0,0,0,0|1,0,2]=4 4042 B9R0.46 C=CC(=O)CCCCCC 1458a_100000185746_100000210757 [0,1,0,0,0,0|0,0,1]=2 4043 B9R0.46 C=CC(=O)CCCCCF 1458a_100000185746_100000729378 [0,1,0,0,0,0|1,0,1]=3 4044 B9R0.46 C=CC(=O)CCCCCO 1458a_100000185746_100000746330 [0,1,0,0,0,0|1,0,1]=3 4045 B9R0.46 C=CC(=O)CCCCOC 1458a_100000185746_100000755781 [0,1,0,0,0,0|1,0,1]=3 4046 B9R0.46 C=CC(=O)CCCOCC 1458a_100000185746_100012232248 [0,1,0,0,0,0|1,0,1]=3 4047 B9R0.46 C=CC(=O)CCOCCC 1458a_100000185746_100011215938 [0,1,0,0,0,0|1,0,1]=3 4048 B9R0.46 C=CC(=O)CCOCCO 1458a_100000185746_100011215305 [0,1,0,0,0,0|2,0,1]=4 4049 B9R0.46 C=CC(=O)COCCCC 1458a_100000185746_100011995733 [0,1,0,0,0,0|1,0,1]=3 4050 B9R0.46 C=CC(=O)NCCCCC 1626a_100000209983_100000185746 [0,1,0,0,0,0|1,0,1]=3 4051 B9R0.46 C=CC(=O)NCCCCC 240690a_100000209983_200121576911 [0,1,0,0,0,0|1,0,1]=3 4052 B9R0.46 C=CC(=O)NCCCCO 240690a_100000750430_200121576911 [0,1,0,0,0,0|2,0,1]=4 4053 B9R0.46 C=CC(=O)NCCCOC 1626a_100150723488_100000185746 [0,1,0,0,0,0|2,0,1]=4 4054 B9R0.46 C=CC(=O)NCCCOC 240690a_100150723488_200121576911 [0,1,0,0,0,0|2,0,1]=4 4055 B9R0.46 C=CC(=O)NCCCSC 1626a_100000749238_100000185746 [0,1,0,0,0,0|2,0,1]=4 4056 B9R0.46 C=CC(=O)NCCCSC 240690a_100000749238_200121576911 [0,1,0,0,0,0|2,0,1]=4 4057 B9R0.46 C=CC(=O)NCCNCC 2230a_114873766552_100000210202 [0,1,0,0,0,0|2,0,1]=4 4058 B9R0.46 C=CC(=O)NCCOCC 1626a_102516460346_100000185746 [0,1,0,0,0,0|2,0,1]=4 4059 B9R0.46 C=CC(=O)NCCOCC 240690a_100011200944_200121576911 [0,1,0,0,0,0|2,0,1]=4 4060 B9R0.46 C=CC(=O)NCCOCC 34a_100011304386_100000210202 [0,1,0,0,0,0|2,0,1]=4 4061 B9R0.46 C=CC(=O)NCCSCC 1626a_100000106463_100000185746 [0,1,0,0,0,0|2,0,1]=4 4062 B9R0.46 C=CC(=O)NCCSCC 240690a_100000106463_200121576911 [0,1,0,0,0,0|2,0,1]=4 4063 B9R0.46 C=CC(=O)NNCCCC 22a_100025702795_100000185746 [0,1,0,0,0,0|2,0,1]=4 4064 B9R0.46 C=CC(=O)OCCNCC 2230a_100015525214_100009813456 [0,1,0,0,0,0|2,0,1]=4 4065 B9R0.46 C=CC(=O)OCCOCC 34a_100121572206_100009813456 [0,1,0,0,0,0|2,0,1]=4 4066 B9R0.46 C=CC(=O)OCCSCC 62a_100000210202_100009813456 [0,1,0,0,0,0|2,0,1]=4 4067 B9R0.46 C=CC(=O)OCCSCC 62a_100009813456_100000210202 [0,1,0,0,0,0|2,0,1]=4 4068 B9R0.46 C=CC(C)COCCCC 34a_100011215527_100000210210 [0,1,0,0,0,0|2,0,1]=4 4069 B9R0.46 C=CC(C)COCCCC 7a_100011215527_100000210211 [0,1,0,0,0,0|2,0,1]=4 4070 B9R0.46 C=CC(C)OCCCCC 34a_100000695699_100000718602 [0,1,0,0,0,0|2,0,1]=4 4071 B9R0.46 C=CC(C)SCCCCC 62a_100011215867_100000210326 [0,1,0,0,0,0|2,0,1]=4 4072 B9R0.46 C=CCCCCC(=O)C=C 1458a_100000185746_100011215482 [0,1,0,0,0,0|0,0,3]=4 4073 B9R0.46 C=CCCCCC(=O)CC 1458a_100000210414_100011215482 [0,1,0,0,0,0|0,0,2]=3 4074 B9R0.46 C=CCCCCC(=O)CC 1458a_100011215552_100000210202 [0,1,0,0,0,0|0,0,2]=3 4075 B9R0.46 C=CCCCCC(=O)CF 1458a_100011215552_100015361967 [0,1,0,0,0,0|0,0,2]=3 4076 B9R0.46 C=CCCCCC(=O)CO 1458a_100000210174_100011215482 [0,1,0,0,0,0|0,0,2]=3 4077 B9R0.46 C=CCCCCC(=O)NC 11a_106832991635_100011215552 [0,1,0,0,0,0|0,0,2]=3 4078 B9R0.46 C=CCCCCC(=O)NC 1626a_100102657272_100011215552 [0,1,0,0,0,0|0,0,2]=3 4079 B9R0.46 C=CCCCCC(=O)NC 240690a_100102657272_100011215552 [0,1,0,0,0,0|0,0,2]=3 4080 B9R0.46 C=CCCCCC(=O)NC 527a_100102657272_100011215552 [0,1,0,0,0,0|0,0,2]=3 4081 B9R0.46 C=CCCCNC(=O)CC 11a_100000700776_100000210414 [0,1,0,0,0,0|1,0,2]=4 4082 B9R0.46 C=CCCCNC(=O)CC 1626a_100000700776_100000210414 [0,1,0,0,0,0|1,0,2]=4 4083 B9R0.46 C=CCCCNC(=O)CC 240690a_100000700776_100000210414 [0,1,0,0,0,0|1,0,2]=4 4084 B9R0.46 C=CCCCNC(=O)CC 527a_100000700776_100000210414 [0,1,0,0,0,0|1,0,2]=4 4085 B9R0.46 C=CCCCNC(=O)CO 240690a_100000700776_100000210174 [0,1,0,0,0,0|1,0,2]=4 4086 B9R0.46 C=CCCCNC(=O)CO 527a_100000700776_100000210174 [0,1,0,0,0,0|1,0,2]=4 4087 B9R0.46 C=CCCCNC(=O)NC 2708a_100000700776_106832991635 [0,1,0,0,0,0|1,0,2]=4 4088 B9R0.46 C=CCCCNC(=O)NC 2708a_100102657272_100000700776 [0,1,0,0,0,0|1,0,2]=4 4089 B9R0.46 C=CCCCNC(=O)NC 273464a_100000700776_100102657272 [0,1,0,0,0,0|1,0,2]=4 4090 B9R0.46 C=CCCCNC(=O)NC 273464a_100102657272_100000700776 [0,1,0,0,0,0|1,0,2]=4 4091 B9R0.46 C=CCCCNC(=O)NC 512a_100000700776_100102657272 [0,1,0,0,0,0|1,0,2]=4 4092 B9R0.46 C=CCCCNC(=O)NC 512a_106832991638_100000700776 [0,1,0,0,0,0|1,0,2]=4 4093 B9R0.46 C=CCCNCC(=O)NC 2230a_100000693194_100000754431 [0,1,0,0,0,0|1,0,2]=4 4094 B9R0.46 C=CCCNCC(=O)NC 2230a_100015191253_100000183359 [0,1,0,0,0,0|1,0,2]=4 4095 B9R0.46 C=CCCNCC(=O)OC 2230a_100015191253_100000747449 [0,1,0,0,0,0|1,0,2]=4 4096 B9R0.46 C=CCCOCC(=O)CC 34a_100000725409_100000754431 [0,1,0,0,0,0|1,0,2]=4 4097 B9R0.46 C=CCCOCC(=O)NC 34a_100000750040_100000754431 [0,1,0,0,0,0|1,0,2]=4 4098 B9R0.46 C=CCCOCC(=O)NC 34a_100011205117_100000183359 [0,1,0,0,0,0|1,0,2]=4 4099 B9R0.46 C=CCCOCC(=O)OC 34a_100011205117_100000747449 [0,1,0,0,0,0|1,0,2]=4 4100 B9R0.46 C=CCCSCC(=O)CC 62a_100000747405_100000754431 [0,1,0,0,0,0|1,0,2]=4 4101 B9R0.46 C=CCCSCC(=O)CC 62a_100000754431_100000747405 [0,1,0,0,0,0|1,0,2]=4 4102 B9R0.46 C=CCCSCC(=O)NC 62a_100000183359_100000754431 [0,1,0,0,0,0|1,0,2]=4 4103 B9R0.46 C=CCCSCC(=O)NC 62a_100000754431_100000183359 [0,1,0,0,0,0|1,0,2]=4 4104 B9R0.46 C=CCCSCC(=O)OC 62a_100000747449_100000754431 [0,1,0,0,0,0|1,0,2]=4 4105 B9R0.46 C=CCCSCC(=O)OC 62a_100000754431_100000747449 [0,1,0,0,0,0|1,0,2]=4 4106 B9R0.46 C=CCNCCC(=O)NC 2230a_100000738227_100000210623 [0,1,0,0,0,0|1,0,2]=4 4107 B9R0.46 C=CCNCCC(=O)NC 2230a_100020586998_100000737683 [0,1,0,0,0,0|1,0,2]=4 4108 B9R0.46 C=CCNCCC(=O)NC 34a_100000738227_100015514636 [0,1,0,0,0,0|1,0,2]=4 4109 B9R0.46 C=CCNCCC(=O)OC 2230a_100020586998_100000204255 [0,1,0,0,0,0|1,0,2]=4 4110 B9R0.46 C=CCOCCC(=O)CC 1458a_200011217002_100000210202 [0,1,0,0,0,0|1,0,2]=4 4111 B9R0.46 C=CCOCCC(=O)CF 1458a_200011217002_100015361967 [0,1,0,0,0,0|1,0,2]=4 4112 B9R0.46 C=CCOCCC(=O)NC 11a_106832991635_200011217002 [0,1,0,0,0,0|1,0,2]=4 4113 B9R0.46 C=CCOCCC(=O)NC 1626a_100102657272_200011217002 [0,1,0,0,0,0|1,0,2]=4 4114 B9R0.46 C=CCOCCC(=O)NC 240690a_100102657272_200011217002 [0,1,0,0,0,0|1,0,2]=4 4115 B9R0.46 C=CCOCCC(=O)NC 34a_100000754576_100015514636 [0,1,0,0,0,0|1,0,2]=4 4116 B9R0.46 C=CCOCCC(=O)NC 34a_200000210373_100012179268 [0,1,0,0,0,0|1,0,2]=4 4117 B9R0.46 C=CCOCCC(=O)NC 527a_100102657272_200011217002 [0,1,0,0,0,0|1,0,2]=4 4118 B9R0.46 C=CCOCCC(=O)OC 34a_200000210373_100000742370 [0,1,0,0,0,0|1,0,2]=4 4119 B9R0.46 C=CCSCCC(=O)NC 62a_100000210623_100000737683 [0,1,0,0,0,0|1,0,2]=4 4120 B9R0.46 C=CCSCCC(=O)NC 62a_100000737683_100000210623 [0,1,0,0,0,0|1,0,2]=4 4121 B9R0.46 C=CCSCCC(=O)OC 62a_100000204255_100000210623 [0,1,0,0,0,0|1,0,2]=4 4122 B9R0.46 C=CCSCCC(=O)OC 62a_100000210623_100000204255 [0,1,0,0,0,0|1,0,2]=4 4123 B9R0.46 CC#CCNCC(=O)NC 2230a_100000685387_100000183359 [0,1,0,0,0,0|1,0,2]=4 4124 B9R0.46 CC#CCNCC(=O)NC 2230a_100000693194_100000748600 [0,1,0,0,0,0|1,0,2]=4 4125 B9R0.46 CC#CCNCC(=O)NC 34a_100000685387_100000183359 [0,1,0,0,0,0|1,0,2]=4 4126 B9R0.46 CC#CCNCC(=O)OC 2230a_100000685387_100000747449 [0,1,0,0,0,0|1,0,2]=4 4127 B9R0.46 CC#CCNCC(=O)OC 34a_100000685387_100000747449 [0,1,0,0,0,0|1,0,2]=4 4128 B9R0.46 CC#CCOCC(=O)CC 34a_100000725409_100000748600 [0,1,0,0,0,0|1,0,2]=4 4129 B9R0.46 CC#CCOCC(=O)NC 34a_100000750040_100000748600 [0,1,0,0,0,0|1,0,2]=4 4130 B9R0.46 CC#CCOCC(=O)NC 34a_100000761923_100000183359 [0,1,0,0,0,0|1,0,2]=4 4131 B9R0.46 CC#CCOCC(=O)OC 34a_100000761923_100000747449 [0,1,0,0,0,0|1,0,2]=4 4132 B9R0.46 CC#CCSCC(=O)CC 62a_100000747405_100000748600 [0,1,0,0,0,0|1,0,2]=4 4133 B9R0.46 CC#CCSCC(=O)CC 62a_100000748600_100000747405 [0,1,0,0,0,0|1,0,2]=4 4134 B9R0.46 CC#CCSCC(=O)NC 62a_100000183359_100000748600 [0,1,0,0,0,0|1,0,2]=4 4135 B9R0.46 CC#CCSCC(=O)NC 62a_100000748600_100000183359 [0,1,0,0,0,0|1,0,2]=4 4136 B9R0.46 CC#CCSCC(=O)OC 62a_100000747449_100000748600 [0,1,0,0,0,0|1,0,2]=4 4137 B9R0.46 CC#CCSCC(=O)OC 62a_100000748600_100000747449 [0,1,0,0,0,0|1,0,2]=4 4138 B9R0.46 CC/C=C\CCC(=O)CC 1458a_100000210414_100015370543 [0,1,0,0,0,0|0,0,2]=3 4139 B9R0.46 CC/C=C\CCC(=O)CO 1458a_100000210174_100015370543 [0,1,0,0,0,0|0,0,2]=3 4140 B9R0.46 CC=CCNCC(=O)NC 2230a_100000693194_100000070051 [0,1,0,0,0,0|1,0,2]=4 4141 B9R0.46 CC=CCOCC(=O)CC 34a_100000725409_100000070051 [0,1,0,0,0,0|1,0,2]=4 4142 B9R0.46 CC=CCOCC(=O)NC 34a_100000750040_100000070051 [0,1,0,0,0,0|1,0,2]=4 4143 B9R0.46 CC=CCSCC(=O)CC 62a_100000070051_100000747405 [0,1,0,0,0,0|1,0,2]=4 4144 B9R0.46 CC=CCSCC(=O)CC 62a_100000747405_100000070051 [0,1,0,0,0,0|1,0,2]=4 4145 B9R0.46 CC=CCSCC(=O)NC 62a_100000070051_100000183359 [0,1,0,0,0,0|1,0,2]=4 4146 B9R0.46 CC=CCSCC(=O)NC 62a_100000183359_100000070051 [0,1,0,0,0,0|1,0,2]=4 4147 B9R0.46 CC=CCSCC(=O)OC 62a_100000070051_100000747449 [0,1,0,0,0,0|1,0,2]=4 4148 B9R0.46 CC=CCSCC(=O)OC 62a_100000747449_100000070051 [0,1,0,0,0,0|1,0,2]=4 4149 B9R0.46 CCC(=O)CCCCC#N 1458a_100000210414_100000211819 [0,1,0,0,0,0|1,0,1]=3 4150 B9R0.46 CCC(=O)CCCCCF 1458a_100000210414_100000729378 [0,1,0,0,0,0|1,0,0]=2 4151 B9R0.46 CCC(=O)CCCCCO 1458a_100000210414_100000746330 [0,1,0,0,0,0|1,0,0]=2 4152 B9R0.46 CCC(=O)CCCCCO 1458a_100102619762_100000210202 [0,1,0,0,0,0|1,0,0]=2 4153 B9R0.46 CCC(=O)CCCCOC 1458a_100000210414_100000755781 [0,1,0,0,0,0|1,0,0]=2 4154 B9R0.46 CCC(=O)CCCN=[N+]=[N-] 1458a_100010262590_100000210202 [0,1,0,0,0,0|3,0,0]=4 4155 B9R0.46 CCC(=O)CCOCC#N 1458a_100000210414_200000047693 [0,1,0,0,0,0|2,0,1]=4 4156 B9R0.46 CCC(=O)CCOCCO 1458a_100000210414_100011215305 [0,1,0,0,0,0|2,0,0]=3 4157 B9R0.46 CCC(=O)CCOCCO 1458a_100011229844_100000210202 [0,1,0,0,0,0|2,0,0]=3 4158 B9R0.46 CCC(=O)COCCCF 34a_100000725409_100011934791 [0,1,0,0,0,0|2,0,0]=3 4159 B9R0.46 CCC(=O)COCCCO 34a_100000725409_100000230001 [0,1,0,0,0,0|2,0,0]=3 4160 B9R0.46 CCC(=O)COCCOC 1458a_100000211095_100000210202 [0,1,0,0,0,0|2,0,0]=3 4161 B9R0.46 CCC(=O)COCCOC 34a_100000725409_100011201679 [0,1,0,0,0,0|2,0,0]=3 4162 B9R0.46 CCC(=O)COCCSC 34a_100000725409_100000212216 [0,1,0,0,0,0|2,0,0]=3 4163 B9R0.46 CCC(=O)COCCSC 7a_100000230434_100000747405 [0,1,0,0,0,0|2,0,0]=3 4164 B9R0.46 CCC(=O)CSCCC#N 62a_100000747405_100011215226 [0,1,0,0,0,0|2,0,1]=4 4165 B9R0.46 CCC(=O)CSCCC#N 62a_100011215226_100000747405 [0,1,0,0,0,0|2,0,1]=4 4166 B9R0.46 CCC(=O)CSCCCF 62a_100000747405_100011934791 [0,1,0,0,0,0|2,0,0]=3 4167 B9R0.46 CCC(=O)CSCCCF 62a_100011934791_100000747405 [0,1,0,0,0,0|2,0,0]=3 4168 B9R0.46 CCC(=O)CSCCCO 62a_100000747405_100011215043 [0,1,0,0,0,0|2,0,0]=3 4169 B9R0.46 CCC(=O)CSCCCO 62a_100011215043_100000747405 [0,1,0,0,0,0|2,0,0]=3 4170 B9R0.46 CCC(=O)CSCCOC 62a_100000233755_100000747405 [0,1,0,0,0,0|2,0,0]=3 4171 B9R0.46 CCC(=O)CSCCOC 62a_100000747405_100000233755 [0,1,0,0,0,0|2,0,0]=3 4172 B9R0.46 CCC(=O)CSCCSC 62a_100000212216_100000747405 [0,1,0,0,0,0|2,0,0]=3 4173 B9R0.46 CCC(=O)CSCCSC 62a_100000747405_100000751147 [0,1,0,0,0,0|2,0,0]=3 4174 B9R0.46 CCC(=O)NCCCCO 240690a_100000750430_100000210414 [0,1,0,0,0,0|2,0,0]=3 4175 B9R0.46 CCC(=O)NCCCCO 527a_100000750430_100000210414 [0,1,0,0,0,0|2,0,0]=3 4176 B9R0.46 CCC(=O)NCCCOC 1626a_100150723488_100000210414 [0,1,0,0,0,0|2,0,0]=3 4177 B9R0.46 CCC(=O)NCCCOC 240690a_100150723488_100000210414 [0,1,0,0,0,0|2,0,0]=3 4178 B9R0.46 CCC(=O)NCCCOC 527a_100150723488_100000210414 [0,1,0,0,0,0|2,0,0]=3 4179 B9R0.46 CCC(=O)NCCCSC 11a_100000749238_100000210414 [0,1,0,0,0,0|2,0,0]=3 4180 B9R0.46 CCC(=O)NCCCSC 1626a_100000749238_100000210414 [0,1,0,0,0,0|2,0,0]=3 4181 B9R0.46 CCC(=O)NCCCSC 240690a_100000749238_100000210414 [0,1,0,0,0,0|2,0,0]=3 4182 B9R0.46 CCC(=O)NCCCSC 527a_100000749238_100000210414 [0,1,0,0,0,0|2,0,0]=3 4183 B9R0.46 CCC(=O)NCCNCF 34a_100132302217_100015361967 [0,1,0,0,0,0|3,0,0]=4 4184 B9R0.46 CCC(=O)NCCOCF 34a_200000158885_100015361967 [0,1,0,0,0,0|3,0,0]=4 4185 B9R0.46 CCC(=O)NCCOCF 7a_200000158885_100015361967 [0,1,0,0,0,0|3,0,0]=4 4186 B9R0.46 CCC(=O)NNCCOC 22a_100000741390_100000210414 [0,1,0,0,0,0|3,0,0]=4 4187 B9R0.46 CCC(=O)OCCOCF 7a_200000031056_100015361967 [0,1,0,0,0,0|3,0,0]=4 4188 B9R0.46 CCC/C=C/CC(=O)CC 1458a_200016266809_100000210202 [0,1,0,0,0,0|0,0,2]=3 4189 B9R0.46 CCC/C=C/CC(=O)CF 1458a_200016266809_100015361967 [0,1,0,0,0,0|0,0,2]=3 4190 B9R0.46 CCC/C=C/CC(=O)NC 11a_106832991635_200016266809 [0,1,0,0,0,0|0,0,2]=3 4191 B9R0.46 CCC/C=C/CC(=O)NC 1626a_100102657272_200016266809 [0,1,0,0,0,0|0,0,2]=3 4192 B9R0.46 CCC/C=C/CC(=O)NC 240690a_100102657272_200016266809 [0,1,0,0,0,0|0,0,2]=3 4193 B9R0.46 CCC/C=C/CC(=O)NC 527a_100102657272_200016266809 [0,1,0,0,0,0|0,0,2]=3 4194 B9R0.46 CCCC=NNC(=O)CC 4a_100000183195_100000185831 [0,1,0,0,0,0|2,0,1]=4 4195 B9R0.46 CCCCC=CC(=O)CC 1458a_100016266645_100000210202 [0,1,0,0,0,0|0,0,2]=3 4196 B9R0.46 CCCCC=CC(=O)CF 1458a_100016266645_100015361967 [0,1,0,0,0,0|0,0,2]=3 4197 B9R0.46 CCCCC=CC(=O)NC 11a_106832991635_100016266645 [0,1,0,0,0,0|0,0,2]=3 4198 B9R0.46 CCCCC=CC(=O)NC 1626a_100102657272_100016266645 [0,1,0,0,0,0|0,0,2]=3 4199 B9R0.46 CCCCC=CC(=O)NC 240690a_100102657272_100016266645 [0,1,0,0,0,0|0,0,2]=3 4200 B9R0.46 CCCCCCC(=O)CC 1458a_100000210414_100000210757 [0,1,0,0,0,0|0,0,0]=1 4201 B9R0.46 CCCCCCC(=O)CC 1458a_100102632555_100000210202 [0,1,0,0,0,0|0,0,0]=1 4202 B9R0.46 CCCCCCC(=O)CF 1458a_100102632555_100015361967 [0,1,0,0,0,0|0,0,0]=1 4203 B9R0.46 CCCCCCC(=O)CO 1458a_100000210174_100000210757 [0,1,0,0,0,0|0,0,0]=1 4204 B9R0.46 CCCCCCC(=O)NC 11a_106832991635_100102632555 [0,1,0,0,0,0|0,0,0]=1 4205 B9R0.46 CCCCCCC(=O)NC 1626a_100102657272_100102632555 [0,1,0,0,0,0|0,0,0]=1 4206 B9R0.46 CCCCCCC(=O)NC 240690a_100102657272_100102632555 [0,1,0,0,0,0|0,0,0]=1 4207 B9R0.46 CCCCCCC(=O)NC 527a_100102657272_100102632555 [0,1,0,0,0,0|0,0,0]=1 4208 B9R0.46 CCCCCCC(C)NC 2230a_100000210919_200000210301 [0,1,0,0,0,0|1,0,1]=3 4209 B9R0.46 CCCCCCC(C)NC 2230a_106832991635_100011215978 [0,1,0,0,0,0|1,0,1]=3 4210 B9R0.46 CCCCCCC(C)NC 270004a_106832991635_100000210826 [0,1,0,0,0,0|1,0,1]=3 4211 B9R0.46 CCCCCCC(C)NC 34a_100000210919_200000210301 [0,1,0,0,0,0|1,0,1]=3 4212 B9R0.46 CCCCCCC(C)NC 34a_100102657272_100011215978 [0,1,0,0,0,0|1,0,1]=3 4213 B9R0.46 CCCCCCC(C)NC 7a_106832991635_100011215978 [0,1,0,0,0,0|1,0,1]=3 4214 B9R0.46 CCCCCCC(C)N[13CH3] 2230a_100000210919_200025704644 [0,1,0,0,0,0|1,0,1]=3 4215 B9R0.46 CCCCCCC(C)N[13CH3] 34a_100000210919_200025704644 [0,1,0,0,0,0|1,0,1]=3 4216 B9R0.46 CCCCCCC(C)OC 34a_100000210265_200000210301 [0,1,0,0,0,0|0,0,2]=3 4217 B9R0.46 CCCCCCC(C)OC 34a_100138415774_100011215978 [0,1,0,0,0,0|0,0,2]=3 4218 B9R0.46 CCCCCCC(C)OC 7a_100000210265_200000210301 [0,1,0,0,0,0|0,0,2]=3 4219 B9R0.46 CCCCCCC(C)O[13CH3] 34a_100000210265_200025704644 [0,1,0,0,0,0|0,0,2]=3 4220 B9R0.46 CCCCCCC(C)O[13CH3] 7a_100000210265_200025704644 [0,1,0,0,0,0|0,0,2]=3 4221 B9R0.46 CCCCCCC(C)SC 62a_100011215978_200000210301 [0,1,0,0,0,0|0,1,1]=3 4222 B9R0.46 CCCCCCC(C)SC 62a_200000210301_100011215978 [0,1,0,0,0,0|0,1,1]=3 4223 B9R0.46 CCCCCCC(C)S[13CH3] 62a_100011215978_200025704644 [0,1,0,0,0,0|0,1,1]=3 4224 B9R0.46 CCCCCCC(C)S[13CH3] 62a_200025704644_100011215978 [0,1,0,0,0,0|0,1,1]=3 4225 B9R0.46 CCCCCCN(C)CC 2230a_100000225621_100000210314 [0,1,0,0,0,0|2,0,0]=3 4226 B9R0.46 CCCCCCN(C)CC 2230a_106256046315_100000210202 [0,1,0,0,0,0|2,0,0]=3 4227 B9R0.46 CCCCCCN(C)CC 269982a_100000225621_100000210757 [0,1,0,0,0,0|2,0,0]=3 4228 B9R0.46 CCCCCCN(C)CC 269982a_106256046315_100000204670 [0,1,0,0,0,0|2,0,0]=3 4229 B9R0.46 CCCCCCN(C)CF 269982a_106256046315_100015361967 [0,1,0,0,0,0|2,0,0]=3 4230 B9R0.46 CCCCCNC(=O)CC 11a_100000209983_100000210414 [0,1,0,0,0,0|1,0,0]=2 4231 B9R0.46 CCCCCNC(=O)CC 1626a_100000209983_100000210414 [0,1,0,0,0,0|1,0,0]=2 4232 B9R0.46 CCCCCNC(=O)CC 240690a_100000209983_100000210414 [0,1,0,0,0,0|1,0,0]=2 4233 B9R0.46 CCCCCNC(=O)CC 527a_100000209983_100000210414 [0,1,0,0,0,0|1,0,0]=2 4234 B9R0.46 CCCCCNC(=O)CO 240690a_100000209983_100000210174 [0,1,0,0,0,0|1,0,0]=2 4235 B9R0.46 CCCCCNC(=O)CO 527a_100000209983_100000210174 [0,1,0,0,0,0|1,0,0]=2 4236 B9R0.46 CCCCCNC(=O)NC 2708a_100000209983_106832991635 [0,1,0,0,0,0|1,0,0]=2 4237 B9R0.46 CCCCCNC(=O)NC 2708a_100102657272_100000209983 [0,1,0,0,0,0|1,0,0]=2 4238 B9R0.46 CCCCCNC(=O)NC 273464a_100000209983_100102657272 [0,1,0,0,0,0|1,0,0]=2 4239 B9R0.46 CCCCCNC(=O)NC 273464a_100102657272_100000209983 [0,1,0,0,0,0|1,0,0]=2 4240 B9R0.46 CCCCCNC(=O)NC 512a_100000209983_100102657272 [0,1,0,0,0,0|1,0,0]=2 4241 B9R0.46 CCCCCNC(=O)NC 512a_106832991638_100000209983 [0,1,0,0,0,0|1,0,0]=2 4242 B9R0.46 CCCCCNC(C)C#N 2230a_100000209983_100000184139 [0,1,0,0,0,0|2,0,1]=4 4243 B9R0.46 CCCCCNC(C)C#N 2230a_100000737613_100000210326 [0,1,0,0,0,0|2,0,1]=4 4244 B9R0.46 CCCCCNC(C)CC 2230a_100000209981_100000210326 [0,1,0,0,0,0|2,0,1]=4 4245 B9R0.46 CCCCCNC(C)CC 2230a_100000209983_100000758301 [0,1,0,0,0,0|2,0,1]=4 4246 B9R0.46 CCCCCNC(C)CO 2230a_100000209983_100012180447 [0,1,0,0,0,0|1,0,2]=4 4247 B9R0.46 CCCCCN[C@H](C)CO 2230a_100000737577_100000210326 [0,1,0,0,0,0|1,0,2]=4 4248 B9R0.46 CCCCCOC(C)C#N 34a_100011218135_100000718602 [0,1,0,0,0,0|2,0,1]=4 4249 B9R0.46 CCCCCOC(C)C#N 7a_100000210253_100000703298 [0,1,0,0,0,0|2,0,1]=4 4250 B9R0.46 CCCCCOC(C)CC 34a_100000210253_100011215416 [0,1,0,0,0,0|2,0,1]=4 4251 B9R0.46 CCCCCOC(C)CC 7a_100000210228_100000210326 [0,1,0,0,0,0|2,0,1]=4 4252 B9R0.46 CCCCCOC(C)CC 7a_100000210253_100000758301 [0,1,0,0,0,0|2,0,1]=4 4253 B9R0.46 CCCCCOC(C)CF 34a_100016041109_100000718602 [0,1,0,0,0,0|2,0,1]=4 4254 B9R0.46 CCCCCOC(C)CF 7a_100016041109_100000210326 [0,1,0,0,0,0|2,0,1]=4 4255 B9R0.46 CCCCCOC(C)CN 34a_100000210904_100000718602 [0,1,0,0,0,0|2,0,1]=4 4256 B9R0.46 CCCCCOC(C)CO 34a_100000210253_100012180447 [0,1,0,0,0,0|1,0,2]=4 4257 B9R0.46 CCCCCOC(C)CO 7a_100000210253_100012180447 [0,1,0,0,0,0|1,0,2]=4 4258 B9R0.46 CCCCCSC(C)C#N 62a_100000210326_100000703298 [0,1,0,0,0,0|2,0,1]=4 4259 B9R0.46 CCCCCSC(C)C#N 62a_100000703298_100000210326 [0,1,0,0,0,0|2,0,1]=4 4260 B9R0.46 CCCCCSC(C)CC 62a_100000210326_100000758301 [0,1,0,0,0,0|2,0,1]=4 4261 B9R0.46 CCCCCSC(C)CC 62a_100000758301_100000210326 [0,1,0,0,0,0|2,0,1]=4 4262 B9R0.46 CCCCCSC(C)CO 62a_100012180447_100000210326 [0,1,0,0,0,0|1,0,2]=4 4263 B9R0.46 CCCCCSC(C)OC 62a_100000210326_100009879195 [0,1,0,0,0,0|1,0,2]=4 4264 B9R0.46 CCCCCSC(C)OC 62a_100009879195_100000210326 [0,1,0,0,0,0|1,0,2]=4 4265 B9R0.46 CCCCCS[C@H](C)CO 62a_100000210326_100016084084 [0,1,0,0,0,0|1,0,2]=4 4266 B9R0.46 CCCCCS[C@H](C)CO 62a_100016084084_100000210326 [0,1,0,0,0,0|1,0,2]=4 4267 B9R0.46 CCCCNCC(=O)CC 7a_106832991798_100000747405 [0,1,0,0,0,0|1,0,0]=2 4268 B9R0.46 CCCCNCC(=O)NC 2230a_100000102301_100000183359 [0,1,0,0,0,0|1,0,0]=2 4269 B9R0.46 CCCCNCC(=O)NC 2230a_100000693194_100000210211 [0,1,0,0,0,0|1,0,0]=2 4270 B9R0.46 CCCCNCC(=O)NC 7a_106832991798_100000183359 [0,1,0,0,0,0|1,0,0]=2 4271 B9R0.46 CCCCNCC(=O)OC 2230a_100000102301_100000747449 [0,1,0,0,0,0|1,0,0]=2 4272 B9R0.46 CCCCNCC(=O)OC 7a_106832991798_100000747449 [0,1,0,0,0,0|1,0,0]=2 4273 B9R0.46 CCCCNCC(C)CC 2230a_100000102301_100000748023 [0,1,0,0,0,0|2,0,1]=4 4274 B9R0.46 CCCCNCC(C)CC 2230a_100020588543_100000210211 [0,1,0,0,0,0|2,0,1]=4 4275 B9R0.46 CCCCNCC(C)CC 270004a_100000102301_100000243153 [0,1,0,0,0,0|2,0,1]=4 4276 B9R0.46 CCCCNCC(C)CC 7a_106832991798_100000748023 [0,1,0,0,0,0|2,0,1]=4 4277 B9R0.46 CCCCNCC(C)CO 34a_100000744482_100000210210 [0,1,0,0,0,0|1,0,2]=4 4278 B9R0.46 CCCCNCC(O)CC 2230a_100000102301_100011218378 [0,1,0,0,0,0|1,0,2]=4 4279 B9R0.46 CCCCNCC(O)CC 2230a_100011218483_100000210211 [0,1,0,0,0,0|1,0,2]=4 4280 B9R0.46 CCCCNCC(O)CC 7a_106832991798_100011218378 [0,1,0,0,0,0|1,0,2]=4 4281 B9R0.46 CCCCNCC(O)CO 2230a_100000102301_100011219619 [0,1,0,0,0,0|1,0,2]=4 4282 B9R0.46 CCCCNCC(O)CO 7a_106832991798_100011219619 [0,1,0,0,0,0|1,0,2]=4 4283 B9R0.46 CCCCNC[C@@H](C)CC 2230a_100000102301_100009816398 [0,1,0,0,0,0|2,0,1]=4 4284 B9R0.46 CCCCNC[C@@H](C)CC 7a_106832991798_100009816398 [0,1,0,0,0,0|2,0,1]=4 4285 B9R0.46 CCCCNC[C@@H](C)CO 2230a_100000102301_100000059175 [0,1,0,0,0,0|1,0,2]=4 4286 B9R0.46 CCCCNC[C@@H](C)CO 7a_106832991798_100000059175 [0,1,0,0,0,0|1,0,2]=4 4287 B9R0.46 CCCCNC[C@@H](C)OC 2230a_100020591295_100000210211 [0,1,0,0,0,0|1,0,2]=4 4288 B9R0.46 CCCCNC[C@@H](F)CO 34a_100015665980_100000210210 [0,1,0,0,0,0|2,0,1]=4 4289 B9R0.46 CCCCNC[C@@H](O)CF 2230a_100000102301_100015614560 [0,1,0,0,0,0|1,0,2]=4 4290 B9R0.46 CCCCNC[C@@H](O)CF 7a_106832991798_100015614560 [0,1,0,0,0,0|1,0,2]=4 4291 B9R0.46 CCCCNC[C@@H](O)CO 2230a_100000102301_100009815848 [0,1,0,0,0,0|1,0,2]=4 4292 B9R0.46 CCCCNC[C@@H](O)CO 7a_106832991798_100009815848 [0,1,0,0,0,0|1,0,2]=4 4293 B9R0.46 CCCCNC[C@H](O)CO 2230a_100020644852_100000210211 [0,1,0,0,0,0|1,0,2]=4 4294 B9R0.46 CCCCNN=C(C)CF 4a_100025702795_100000039719 [0,1,0,0,0,0|3,0,0]=4 4295 B9R0.46 CCCCNN=C(C)CO 4a_100025702795_100000211253 [0,1,0,0,0,0|2,0,1]=4 4296 B9R0.46 CCCCNNC(=O)CC 22a_100025702795_100000210414 [0,1,0,0,0,0|2,0,0]=3 4297 B9R0.46 CCCCNNC(=O)CO 22a_100025702795_100000210174 [0,1,0,0,0,0|2,0,0]=3 4298 B9R0.46 CCCCNNC(=O)NC 273464a_100102657272_100025702795 [0,1,0,0,0,0|2,0,0]=3 4299 B9R0.46 CCCCNNC(=O)NC 512a_100025702795_100102657272 [0,1,0,0,0,0|2,0,0]=3 4300 B9R0.46 CCCCNNC(=O)NC 512a_106832991638_100025702795 [0,1,0,0,0,0|2,0,0]=3 4301 B9R0.46 CCCCOCC(=O)CC 1458a_100000210414_100011995733 [0,1,0,0,0,0|1,0,0]=2 4302 B9R0.46 CCCCOCC(=O)CC 1458a_100000757543_100000210202 [0,1,0,0,0,0|1,0,0]=2 4303 B9R0.46 CCCCOCC(=O)CC 34a_100000725409_100000210210 [0,1,0,0,0,0|1,0,0]=2 4304 B9R0.46 CCCCOCC(=O)CC 7a_100000210227_100000747405 [0,1,0,0,0,0|1,0,0]=2 4305 B9R0.46 CCCCOCC(=O)CF 1458a_100000757543_100015361967 [0,1,0,0,0,0|1,0,0]=2 4306 B9R0.46 CCCCOCC(=O)CO 1458a_100000210174_100011995733 [0,1,0,0,0,0|1,0,0]=2 4307 B9R0.46 CCCCOCC(=O)NC 11a_106832991635_100000757543 [0,1,0,0,0,0|1,0,0]=2 4308 B9R0.46 CCCCOCC(=O)NC 1626a_100102657272_100000757543 [0,1,0,0,0,0|1,0,0]=2 4309 B9R0.46 CCCCOCC(=O)NC 240690a_100102657272_100000757543 [0,1,0,0,0,0|1,0,0]=2 4310 B9R0.46 CCCCOCC(=O)NC 34a_100000210227_100000183359 [0,1,0,0,0,0|1,0,0]=2 4311 B9R0.46 CCCCOCC(=O)NC 34a_100000750040_100000210210 [0,1,0,0,0,0|1,0,0]=2 4312 B9R0.46 CCCCOCC(=O)NC 527a_100102657272_100000757543 [0,1,0,0,0,0|1,0,0]=2 4313 B9R0.46 CCCCOCC(=O)NC 7a_100000210227_100000183359 [0,1,0,0,0,0|1,0,0]=2 4314 B9R0.46 CCCCOCC(=O)OC 34a_100000210227_100000747449 [0,1,0,0,0,0|1,0,0]=2 4315 B9R0.46 CCCCOCC(=O)OC 7a_100000210227_100000747449 [0,1,0,0,0,0|1,0,0]=2 4316 B9R0.46 CCCCOCC(C)CC 34a_100000210227_100000748023 [0,1,0,0,0,0|2,0,1]=4 4317 B9R0.46 CCCCOCC(C)CC 7a_100000210227_100000748023 [0,1,0,0,0,0|2,0,1]=4 4318 B9R0.46 CCCCOCC(C)CN 34a_100000744482_100000210210 [0,1,0,0,0,0|2,0,1]=4 4319 B9R0.46 CCCCOCC(C)OC 34a_100000690652_100000210210 [0,1,0,0,0,0|1,0,2]=4 4320 B9R0.46 CCCCOCC(C)OC 34a_100011217071_200000210301 [0,1,0,0,0,0|1,0,2]=4 4321 B9R0.46 CCCCOCC(C)OC 7a_100011217071_200000210301 [0,1,0,0,0,0|1,0,2]=4 4322 B9R0.46 CCCCOCC(C)O[13CH3] 34a_100011217071_200025704644 [0,1,0,0,0,0|1,0,2]=4 4323 B9R0.46 CCCCOCC(C)O[13CH3] 7a_100011217071_200025704644 [0,1,0,0,0,0|1,0,2]=4 4324 B9R0.46 CCCCOCC(Cl)CCl 34a_100000033668_100000210210 [0,1,0,0,0,0|2,0,1]=4 4325 B9R0.46 CCCCOCC(O)CC 34a_100000210227_100011218378 [0,1,0,0,0,0|1,0,2]=4 4326 B9R0.46 CCCCOCC(O)CC 7a_100000210227_100011218378 [0,1,0,0,0,0|1,0,2]=4 4327 B9R0.46 CCCCOCC(O)CO 34a_100000210227_100011219619 [0,1,0,0,0,0|1,0,2]=4 4328 B9R0.46 CCCCOCC(O)CO 7a_100000210227_100011219619 [0,1,0,0,0,0|1,0,2]=4 4329 B9R0.46 CCCCOCN(C)CC 2230a_100000225621_100011995733 [0,1,0,0,0,0|3,0,0]=4 4330 B9R0.46 CCCCOCN(C)CC 269982a_100000225621_100011995733 [0,1,0,0,0,0|3,0,0]=4 4331 B9R0.46 CCCCOC[C@@H](C)CC 34a_100000210227_100009816398 [0,1,0,0,0,0|2,0,1]=4 4332 B9R0.46 CCCCOC[C@@H](C)CC 7a_100000210227_100009816398 [0,1,0,0,0,0|2,0,1]=4 4333 B9R0.46 CCCCOC[C@@H](C)CC 7a_100009816381_100000210211 [0,1,0,0,0,0|2,0,1]=4 4334 B9R0.46 CCCCOC[C@@H](C)CO 34a_100000210227_100000059175 [0,1,0,0,0,0|1,0,2]=4 4335 B9R0.46 CCCCOC[C@@H](C)CO 7a_100000210227_100000059175 [0,1,0,0,0,0|1,0,2]=4 4336 B9R0.46 CCCCOC[C@@H](O)CF 34a_100000210227_100015614560 [0,1,0,0,0,0|1,0,2]=4 4337 B9R0.46 CCCCOC[C@@H](O)CF 7a_100000210227_100015614560 [0,1,0,0,0,0|1,0,2]=4 4338 B9R0.46 CCCCOC[C@@H](O)CO 34a_100000210227_100009815848 [0,1,0,0,0,0|1,0,2]=4 4339 B9R0.46 CCCCOC[C@@H](O)CO 7a_100000210227_100009815848 [0,1,0,0,0,0|1,0,2]=4 4340 B9R0.46 CCCCOC[C@H](F)CN 34a_100015665980_100000210210 [0,1,0,0,0,0|2,0,1]=4 4341 B9R0.46 CCCCSCC(=O)CC 1458a_100000191162_100000210202 [0,1,0,0,0,0|1,0,0]=2 4342 B9R0.46 CCCCSCC(=O)CC 62a_100000210211_100000747405 [0,1,0,0,0,0|1,0,0]=2 4343 B9R0.46 CCCCSCC(=O)CC 62a_100000747405_100000210210 [0,1,0,0,0,0|1,0,0]=2 4344 B9R0.46 CCCCSCC(=O)CF 1458a_100000191162_100015361967 [0,1,0,0,0,0|1,0,0]=2 4345 B9R0.46 CCCCSCC(=O)NC 11a_106832991635_100000191162 [0,1,0,0,0,0|1,0,0]=2 4346 B9R0.46 CCCCSCC(=O)NC 1626a_100102657272_100000191162 [0,1,0,0,0,0|1,0,0]=2 4347 B9R0.46 CCCCSCC(=O)NC 240690a_100102657272_100000191162 [0,1,0,0,0,0|1,0,0]=2 4348 B9R0.46 CCCCSCC(=O)NC 527a_100102657272_100000191162 [0,1,0,0,0,0|1,0,0]=2 4349 B9R0.46 CCCCSCC(=O)NC 62a_100000183359_100000210210 [0,1,0,0,0,0|1,0,0]=2 4350 B9R0.46 CCCCSCC(=O)NC 62a_100000210211_100000183359 [0,1,0,0,0,0|1,0,0]=2 4351 B9R0.46 CCCCSCC(=O)OC 62a_100000210211_100000747449 [0,1,0,0,0,0|1,0,0]=2 4352 B9R0.46 CCCCSCC(=O)OC 62a_100000747449_100000210210 [0,1,0,0,0,0|1,0,0]=2 4353 B9R0.46 CCCCSCC(C)CC 62a_100000210211_100000748023 [0,1,0,0,0,0|2,0,1]=4 4354 B9R0.46 CCCCSCC(C)CC 62a_100000748023_100000210210 [0,1,0,0,0,0|2,0,1]=4 4355 B9R0.46 CCCCSCC(O)CC 62a_100000210211_100011218378 [0,1,0,0,0,0|1,0,2]=4 4356 B9R0.46 CCCCSCC(O)CC 62a_100011218378_100000210210 [0,1,0,0,0,0|1,0,2]=4 4357 B9R0.46 CCCCSCC(O)CO 62a_100000210211_100011219619 [0,1,0,0,0,0|1,0,2]=4 4358 B9R0.46 CCCCSCC(O)CO 62a_100011219619_100000210210 [0,1,0,0,0,0|1,0,2]=4 4359 B9R0.46 CCCCSC[C@@H](C)CC 62a_100000210211_100009816398 [0,1,0,0,0,0|2,0,1]=4 4360 B9R0.46 CCCCSC[C@@H](C)CC 62a_100009816398_100000210210 [0,1,0,0,0,0|2,0,1]=4 4361 B9R0.46 CCCCSC[C@@H](C)CO 62a_100000059175_100000210210 [0,1,0,0,0,0|1,0,2]=4 4362 B9R0.46 CCCCSC[C@@H](C)CO 62a_100000210211_100000059175 [0,1,0,0,0,0|1,0,2]=4 4363 B9R0.46 CCCCSC[C@@H](O)CF 62a_100000210211_100015614560 [0,1,0,0,0,0|1,0,2]=4 4364 B9R0.46 CCCCSC[C@@H](O)CF 62a_100015614560_100000210210 [0,1,0,0,0,0|1,0,2]=4 4365 B9R0.46 CCCCSC[C@@H](O)CO 62a_100000210211_100009815848 [0,1,0,0,0,0|1,0,2]=4 4366 B9R0.46 CCCCSC[C@@H](O)CO 62a_100009815848_100000210210 [0,1,0,0,0,0|1,0,2]=4 4367 B9R0.46 CCCNCCC(=O)NC 2230a_100000738227_100000210303 [0,1,0,0,0,0|1,0,0]=2 4368 B9R0.46 CCCNCCC(=O)NC 34a_100000738227_100000210303 [0,1,0,0,0,0|1,0,0]=2 4369 B9R0.46 CCCNCCC(C)CC 2230a_100020591266_100000210303 [0,1,0,0,0,0|2,0,1]=4 4370 B9R0.46 CCCNCCC(C)CO 2230a_106354213184_100000210303 [0,1,0,0,0,0|1,0,2]=4 4371 B9R0.46 CCCNCCC(C)CO 34a_106354213184_100000210303 [0,1,0,0,0,0|1,0,2]=4 4372 B9R0.46 CCCNN=CC(=O)OC 4a_100000740057_200011823558 [0,1,0,0,0,0|2,0,1]=4 4373 B9R0.46 CCCOCCC(=NO)N 34a_100000749954_100000210303 [0,1,0,0,0,0|2,0,1]=4 4374 B9R0.46 CCCOCCC(=O)CC 1458a_100000210414_100011215938 [0,1,0,0,0,0|1,0,0]=2 4375 B9R0.46 CCCOCCC(=O)CO 1458a_100000210174_100011215938 [0,1,0,0,0,0|1,0,0]=2 4376 B9R0.46 CCCOCCC(=O)NC 34a_100000210258_100012179268 [0,1,0,0,0,0|1,0,0]=2 4377 B9R0.46 CCCOCCC(=O)NC 34a_100000754576_100000210303 [0,1,0,0,0,0|1,0,0]=2 4378 B9R0.46 CCCOCCC(=O)OC 34a_100000210258_100000742370 [0,1,0,0,0,0|1,0,0]=2 4379 B9R0.46 CCCOCCC(C)CC 7a_100011215188_100000210303 [0,1,0,0,0,0|2,0,1]=4 4380 B9R0.46 CCCOCCC(C)OC 7a_100000764861_100000210303 [0,1,0,0,0,0|1,0,2]=4 4381 B9R0.46 CCCOCCN(C)CC 2230a_100000225621_100011215938 [0,1,0,0,0,0|3,0,0]=4 4382 B9R0.46 CCCOCCN(C)CC 269982a_100000225621_100011215938 [0,1,0,0,0,0|3,0,0]=4 4383 B9R0.46 CCCSCCC(=O)NC 62a_100000210303_100000737683 [0,1,0,0,0,0|1,0,0]=2 4384 B9R0.46 CCCSCCC(=O)NC 62a_100000737683_100000210303 [0,1,0,0,0,0|1,0,0]=2 4385 B9R0.46 CCCSCCC(=O)OC 62a_100000204255_100000210303 [0,1,0,0,0,0|1,0,0]=2 4386 B9R0.46 CCCSCCC(=O)OC 62a_100000210303_100000204255 [0,1,0,0,0,0|1,0,0]=2 4387 B9R0.46 CCCSCOC(=O)OC 62a_100000210303_100000139417 [0,1,0,0,0,0|2,0,0]=3 4388 B9R0.46 CCN(C)CCCCCF 2230a_100000225621_100000729378 [0,1,0,0,0,0|3,0,0]=4 4389 B9R0.46 CCN(C)CCCCCF 269982a_100000225621_100000729378 [0,1,0,0,0,0|3,0,0]=4 4390 B9R0.46 CCN(C)CCCCCO 2230a_100000225621_100000746330 [0,1,0,0,0,0|3,0,0]=4 4391 B9R0.46 CCN(C)CCCCCO 2230a_100000722520_100000210202 [0,1,0,0,0,0|3,0,0]=4 4392 B9R0.46 CCN(C)CCCCCO 269982a_100000225621_100000746330 [0,1,0,0,0,0|3,0,0]=4 4393 B9R0.46 CCN(C)CCCCCO 269982a_100000722520_100000204670 [0,1,0,0,0,0|3,0,0]=4 4394 B9R0.46 CCN(C)CCCCOC 2230a_100000225621_100000730899 [0,1,0,0,0,0|3,0,0]=4 4395 B9R0.46 CCN(C)CCCCOC 269982a_100000225621_100000730899 [0,1,0,0,0,0|3,0,0]=4 4396 B9R0.46 CCNC/C=C/C(=O)OC 2230a_100015525214_100000742655 [0,1,0,0,0,0|1,0,2]=4 4397 B9R0.46 CCNCCCC(=O)NC 2230a_100000740002_100000210202 [0,1,0,0,0,0|1,0,0]=2 4398 B9R0.46 CCNCCCC(=O)NC 2230a_100015525214_100000741757 [0,1,0,0,0,0|1,0,0]=2 4399 B9R0.46 CCNCCCC(=O)NC 34a_100000740002_100000210202 [0,1,0,0,0,0|1,0,0]=2 4400 B9R0.46 CCNCCCC(=O)OC 2230a_100015525214_100011218270 [0,1,0,0,0,0|1,0,0]=2 4401 B9R0.46 CCNCCCN(C)CC 2230a_100015525214_100015186262 [0,1,0,0,0,0|3,0,0]=4 4402 B9R0.46 CCNCCNC(=O)CC 34a_100132302217_100000210202 [0,1,0,0,0,0|2,0,0]=3 4403 B9R0.46 CCNCCNC(=O)NC 34a_100015205895_100000210202 [0,1,0,0,0,0|2,0,0]=3 4404 B9R0.46 CCNN=CCC(=O)OC 4a_100000756455_200011552997 [0,1,0,0,0,0|2,0,1]=4 4405 B9R0.46 CCOC/C=C/C(=O)OC 34a_100121572206_100000742655 [0,1,0,0,0,0|1,0,2]=4 4406 B9R0.46 CCOCCCC(=O)CC 1458a_100000210414_100012232248 [0,1,0,0,0,0|1,0,0]=2 4407 B9R0.46 CCOCCCC(=O)CO 1458a_100000210174_100012232248 [0,1,0,0,0,0|1,0,0]=2 4408 B9R0.46 CCOCCCC(=O)NC 34a_100121572206_100000741757 [0,1,0,0,0,0|1,0,0]=2 4409 B9R0.46 CCOCCCC(=O)NN 34a_100000211488_100000210202 [0,1,0,0,0,0|2,0,0]=3 4410 B9R0.46 CCOCCCC(=O)OC 34a_100121572206_100000742333 [0,1,0,0,0,0|1,0,0]=2 4411 B9R0.46 CCOCCCC(C)CC 7a_100011216074_100000210202 [0,1,0,0,0,0|2,0,1]=4 4412 B9R0.46 CCOCCCN(C)CC 2230a_100000225621_100012232248 [0,1,0,0,0,0|3,0,0]=4 4413 B9R0.46 CCOCCCN(C)CC 269982a_100000225621_100012232248 [0,1,0,0,0,0|3,0,0]=4 4414 B9R0.46 CCOCCC[C@@H](C)CN 34a_100160569302_100000210202 [0,1,0,0,0,0|2,0,1]=4 4415 B9R0.46 CCOCCNC(=O)CC 11a_100011200944_100000210414 [0,1,0,0,0,0|2,0,0]=3 4416 B9R0.46 CCOCCNC(=O)CC 1626a_102516460346_100000210414 [0,1,0,0,0,0|2,0,0]=3 4417 B9R0.46 CCOCCNC(=O)CC 240690a_100011200944_100000210414 [0,1,0,0,0,0|2,0,0]=3 4418 B9R0.46 CCOCCNC(=O)CC 34a_200000158885_100000210202 [0,1,0,0,0,0|2,0,0]=3 4419 B9R0.46 CCOCCNC(=O)CC 527a_100011200944_100000210414 [0,1,0,0,0,0|2,0,0]=3 4420 B9R0.46 CCOCCNC(=O)CC 7a_200000158885_100000210202 [0,1,0,0,0,0|2,0,0]=3 4421 B9R0.46 CCOCCNC(=O)CO 240690a_100011200944_100000210174 [0,1,0,0,0,0|2,0,0]=3 4422 B9R0.46 CCOCCNC(=O)CO 527a_100011200944_100000210174 [0,1,0,0,0,0|2,0,0]=3 4423 B9R0.46 CCOCCNC(=O)NC 2708a_100011200944_106832991635 [0,1,0,0,0,0|2,0,0]=3 4424 B9R0.46 CCOCCNC(=O)NC 2708a_100102657272_100011200944 [0,1,0,0,0,0|2,0,0]=3 4425 B9R0.46 CCOCCNC(=O)NC 273464a_100102657272_102516460346 [0,1,0,0,0,0|2,0,0]=3 4426 B9R0.46 CCOCCNC(=O)NC 273464a_102516460346_100102657272 [0,1,0,0,0,0|2,0,0]=3 4427 B9R0.46 CCOCCNC(=O)NC 512a_100011200944_100102657272 [0,1,0,0,0,0|2,0,0]=3 4428 B9R0.46 CCOCCNC(=O)NC 512a_106832991638_100011200944 [0,1,0,0,0,0|2,0,0]=3 4429 B9R0.46 CCOCCNC(=O)OC 34a_100000757965_100000210202 [0,1,0,0,0,0|2,0,0]=3 4430 B9R0.46 CCOCCOC(=O)CC 7a_200000031056_100000210202 [0,1,0,0,0,0|2,0,0]=3 4431 B9R0.46 CCOCCOC(=O)NC 34a_100121572206_200011997002 [0,1,0,0,0,0|2,0,0]=3 4432 B9R0.46 CCOCCOC(=O)OC 34a_100010262106_100000210202 [0,1,0,0,0,0|2,0,0]=3 4433 B9R0.46 CCOCSCC(=O)CC 62a_100000739092_100000747405 [0,1,0,0,0,0|2,0,0]=3 4434 B9R0.46 CCOCSCC(=O)CC 62a_100000747405_100000739092 [0,1,0,0,0,0|2,0,0]=3 4435 B9R0.46 CCOCSCC(=O)NC 62a_100000183359_100000739092 [0,1,0,0,0,0|2,0,0]=3 4436 B9R0.46 CCOCSCC(=O)NC 62a_100000739092_100000183359 [0,1,0,0,0,0|2,0,0]=3 4437 B9R0.46 CCOCSCC(=O)OC 62a_100000739092_100000747449 [0,1,0,0,0,0|2,0,0]=3 4438 B9R0.46 CCOCSCC(=O)OC 62a_100000747449_100000739092 [0,1,0,0,0,0|2,0,0]=3 4439 B9R0.46 CCSC/C=C/C(=O)OC 62a_100000210202_100000742655 [0,1,0,0,0,0|1,0,2]=4 4440 B9R0.46 CCSC/C=C/C(=O)OC 62a_100000742655_100000210202 [0,1,0,0,0,0|1,0,2]=4 4441 B9R0.46 CCSCCCC(=O)NC 62a_100000210202_100000741757 [0,1,0,0,0,0|1,0,0]=2 4442 B9R0.46 CCSCCCC(=O)NC 62a_100000741757_100000210202 [0,1,0,0,0,0|1,0,0]=2 4443 B9R0.46 CCSCCCC(=O)OC 62a_100000210202_100011218270 [0,1,0,0,0,0|1,0,0]=2 4444 B9R0.46 CCSCCCC(=O)OC 62a_100011218270_100000210202 [0,1,0,0,0,0|1,0,0]=2 4445 B9R0.46 CCSCCCN(C)CC 62a_100000210202_100015186262 [0,1,0,0,0,0|3,0,0]=4 4446 B9R0.46 CCSCCNC(=O)CC 11a_100000106463_100000210414 [0,1,0,0,0,0|2,0,0]=3 4447 B9R0.46 CCSCCNC(=O)CC 1626a_100000106463_100000210414 [0,1,0,0,0,0|2,0,0]=3 4448 B9R0.46 CCSCCNC(=O)CC 240690a_100000106463_100000210414 [0,1,0,0,0,0|2,0,0]=3 4449 B9R0.46 CCSCCNC(=O)CC 527a_100000106463_100000210414 [0,1,0,0,0,0|2,0,0]=3 4450 B9R0.46 CCSCCNC(=O)CO 240690a_100000106463_100000210174 [0,1,0,0,0,0|2,0,0]=3 4451 B9R0.46 CCSCCNC(=O)CO 527a_100000106463_100000210174 [0,1,0,0,0,0|2,0,0]=3 4452 B9R0.46 CCSCCNC(=O)NC 2708a_100000106463_106832991635 [0,1,0,0,0,0|2,0,0]=3 4453 B9R0.46 CCSCCNC(=O)NC 2708a_100102657272_100000106463 [0,1,0,0,0,0|2,0,0]=3 4454 B9R0.46 CCSCCNC(=O)NC 273464a_100000106463_100102657272 [0,1,0,0,0,0|2,0,0]=3 4455 B9R0.46 CCSCCNC(=O)NC 273464a_100102657272_100000106463 [0,1,0,0,0,0|2,0,0]=3 4456 B9R0.46 CCSCCNC(=O)NC 512a_100000106463_100102657272 [0,1,0,0,0,0|2,0,0]=3 4457 B9R0.46 CCSCCNC(=O)NC 512a_106832991638_100000106463 [0,1,0,0,0,0|2,0,0]=3 4458 B9R0.46 CCSCCOC(=O)NC 62a_100000210202_200011997002 [0,1,0,0,0,0|2,0,0]=3 4459 B9R0.46 CCSCCOC(=O)NC 62a_200011997002_100000210202 [0,1,0,0,0,0|2,0,0]=3 4460 B9R0.46 CN(CF)CCCCCO 269982a_100000722520_100015361967 [0,1,0,0,0,0|3,0,0]=4 4461 B9R0.46 CNC(=O)CCCCCO 240690a_100102657272_100102619762 [0,1,0,0,0,0|1,0,0]=2 4462 B9R0.46 CNC(=O)CCCN=[N+]=[N-] 11a_106832991635_100010262590 [0,1,0,0,0,0|3,0,0]=4 4463 B9R0.46 CNC(=O)CCCN=[N+]=[N-] 240690a_100102657272_100010262590 [0,1,0,0,0,0|3,0,0]=4 4464 B9R0.46 CNC(=O)CCCN=[N+]=[N-] 527a_100102657272_100010262590 [0,1,0,0,0,0|3,0,0]=4 4465 B9R0.46 CNC(=O)CCCNCF 34a_100000740002_100015361967 [0,1,0,0,0,0|2,0,0]=3 4466 B9R0.46 CNC(=O)CCCSCF 62a_100000741757_100015361967 [0,1,0,0,0,0|2,0,0]=3 4467 B9R0.46 CNC(=O)CCCSCF 62a_100015361967_100000741757 [0,1,0,0,0,0|2,0,0]=3 4468 B9R0.46 CNC(=O)CCNCC#N 2230a_100000738227_100011215382 [0,1,0,0,0,0|2,0,1]=4 4469 B9R0.46 CNC(=O)CCNCC=O 2230a_100000738227_200015260668 [0,1,0,0,0,0|2,0,1]=4 4470 B9R0.46 CNC(=O)CCNCC=O 34a_100000738227_200009817547 [0,1,0,0,0,0|2,0,1]=4 4471 B9R0.46 CNC(=O)CCNCCF 2230a_100000738227_100011217306 [0,1,0,0,0,0|2,0,0]=3 4472 B9R0.46 CNC(=O)CCNCCF 34a_100000724931_100012179268 [0,1,0,0,0,0|2,0,0]=3 4473 B9R0.46 CNC(=O)CCNCCF 34a_100000738227_100011217306 [0,1,0,0,0,0|2,0,0]=3 4474 B9R0.46 CNC(=O)CCNCCO 2230a_100000738227_100000211926 [0,1,0,0,0,0|2,0,0]=3 4475 B9R0.46 CNC(=O)CCNCCO 2230a_100016997473_100000737683 [0,1,0,0,0,0|2,0,0]=3 4476 B9R0.46 CNC(=O)CCNCCO 34a_100000738227_100000211926 [0,1,0,0,0,0|2,0,0]=3 4477 B9R0.46 CNC(=O)CCNCCO 34a_100016990907_100012179268 [0,1,0,0,0,0|2,0,0]=3 4478 B9R0.46 CNC(=O)CCNCOC 2230a_100000738227_100000766300 [0,1,0,0,0,0|2,0,0]=3 4479 B9R0.46 CNC(=O)CCNCSC 2230a_100000738227_100011218213 [0,1,0,0,0,0|2,0,0]=3 4480 B9R0.46 CNC(=O)CCNCSC 34a_100000738227_100011218213 [0,1,0,0,0,0|2,0,0]=3 4481 B9R0.46 CNC(=O)CCOCC=O 34a_100000754576_200009817547 [0,1,0,0,0,0|2,0,1]=4 4482 B9R0.46 CNC(=O)CCOCCBr 34a_100000211926_100012179268 [0,1,0,0,0,0|2,0,0]=3 4483 B9R0.46 CNC(=O)CCOCCF 34a_100000754576_100011217306 [0,1,0,0,0,0|2,0,0]=3 4484 B9R0.46 CNC(=O)CCOCCN 34a_100000210304_100012179268 [0,1,0,0,0,0|2,0,0]=3 4485 B9R0.46 CNC(=O)CCOCCO 1626a_100102657272_100011229844 [0,1,0,0,0,0|2,0,0]=3 4486 B9R0.46 CNC(=O)CCOCCO 240690a_100102657272_100011229844 [0,1,0,0,0,0|2,0,0]=3 4487 B9R0.46 CNC(=O)CCOCCO 34a_100000754576_100000211926 [0,1,0,0,0,0|2,0,0]=3 4488 B9R0.46 CNC(=O)CCOCSC 34a_100000754576_100011218213 [0,1,0,0,0,0|2,0,0]=3 4489 B9R0.46 CNC(=O)CCSCC#N 62a_100000737683_100011215382 [0,1,0,0,0,0|2,0,1]=4 4490 B9R0.46 CNC(=O)CCSCC#N 62a_100011215382_100000737683 [0,1,0,0,0,0|2,0,1]=4 4491 B9R0.46 CNC(=O)CCSCC=O 62a_100000737683_200015260668 [0,1,0,0,0,0|2,0,1]=4 4492 B9R0.46 CNC(=O)CCSCC=O 62a_200015260668_100000737683 [0,1,0,0,0,0|2,0,1]=4 4493 B9R0.46 CNC(=O)CCSCCF 62a_100000737683_100011217306 [0,1,0,0,0,0|2,0,0]=3 4494 B9R0.46 CNC(=O)CCSCCF 62a_100011217306_100000737683 [0,1,0,0,0,0|2,0,0]=3 4495 B9R0.46 CNC(=O)CCSCCO 62a_100000211926_100000737683 [0,1,0,0,0,0|2,0,0]=3 4496 B9R0.46 CNC(=O)CCSCCO 62a_100000737683_100000211926 [0,1,0,0,0,0|2,0,0]=3 4497 B9R0.46 CNC(=O)CCSCOC 62a_100000737683_100000766300 [0,1,0,0,0,0|2,0,0]=3 4498 B9R0.46 CNC(=O)CCSCOC 62a_100000766300_100000737683 [0,1,0,0,0,0|2,0,0]=3 4499 B9R0.46 CNC(=O)CCSCSC 62a_100000737683_100011218213 [0,1,0,0,0,0|2,0,0]=3 4500 B9R0.46 CNC(=O)CCSCSC 62a_100011218213_100000737683 [0,1,0,0,0,0|2,0,0]=3 4501 B9R0.46 CNC(=O)CNCCC#N 2230a_100000693194_100011215226 [0,1,0,0,0,0|2,0,1]=4 4502 B9R0.46 CNC(=O)CNCCCF 2230a_100000693194_100011934791 [0,1,0,0,0,0|2,0,0]=3 4503 B9R0.46 CNC(=O)CNCCCF 2230a_100015189416_100000183359 [0,1,0,0,0,0|2,0,0]=3 4504 B9R0.46 CNC(=O)CNCCCF 34a_100015189416_100000183359 [0,1,0,0,0,0|2,0,0]=3 4505 B9R0.46 CNC(=O)CNCCCO 2230a_100000693194_100000230001 [0,1,0,0,0,0|2,0,0]=3 4506 B9R0.46 CNC(=O)CNCCOC 2230a_100000209980_100000183359 [0,1,0,0,0,0|2,0,0]=3 4507 B9R0.46 CNC(=O)CNCCOC 2230a_100000693194_100011201679 [0,1,0,0,0,0|2,0,0]=3 4508 B9R0.46 CNC(=O)CNCCSC 2230a_100000693194_100000751147 [0,1,0,0,0,0|2,0,0]=3 4509 B9R0.46 CNC(=O)CNCCSC 2230a_100020590264_100000183359 [0,1,0,0,0,0|2,0,0]=3 4510 B9R0.46 CNC(=O)COCCCBr 34a_100011217188_100000183359 [0,1,0,0,0,0|2,0,0]=3 4511 B9R0.46 CNC(=O)COCCCCl 34a_100000230001_100000183359 [0,1,0,0,0,0|2,0,0]=3 4512 B9R0.46 CNC(=O)COCCCF 34a_100000750040_100011934791 [0,1,0,0,0,0|2,0,0]=3 4513 B9R0.46 CNC(=O)COCCCF 34a_100000759539_100000183359 [0,1,0,0,0,0|2,0,0]=3 4514 B9R0.46 CNC(=O)COCCCN 34a_100000182051_100000183359 [0,1,0,0,0,0|2,0,0]=3 4515 B9R0.46 CNC(=O)COCCCO 34a_100000750040_100000230001 [0,1,0,0,0,0|2,0,0]=3 4516 B9R0.46 CNC(=O)COCCOC 11a_106832991635_100000211095 [0,1,0,0,0,0|2,0,0]=3 4517 B9R0.46 CNC(=O)COCCOC 1626a_100102657272_100000211095 [0,1,0,0,0,0|2,0,0]=3 4518 B9R0.46 CNC(=O)COCCOC 240690a_100102657272_100000211095 [0,1,0,0,0,0|2,0,0]=3 4519 B9R0.46 CNC(=O)COCCOC 34a_100000210237_100000183359 [0,1,0,0,0,0|2,0,0]=3 4520 B9R0.46 CNC(=O)COCCOC 34a_100000750040_100011201679 [0,1,0,0,0,0|2,0,0]=3 4521 B9R0.46 CNC(=O)COCCOC 527a_100102657272_100000211095 [0,1,0,0,0,0|2,0,0]=3 4522 B9R0.46 CNC(=O)COCCON 34a_100000700252_100000183359 [0,1,0,0,0,0|3,0,0]=4 4523 B9R0.46 CNC(=O)COCCSC 34a_100000230434_100000183359 [0,1,0,0,0,0|2,0,0]=3 4524 B9R0.46 CNC(=O)COCCSC 34a_100000750040_100000212216 [0,1,0,0,0,0|2,0,0]=3 4525 B9R0.46 CNC(=O)COCCSC 7a_100000230434_100000183359 [0,1,0,0,0,0|2,0,0]=3 4526 B9R0.46 CNC(=O)CSCCC#N 62a_100000183359_100011215226 [0,1,0,0,0,0|2,0,1]=4 4527 B9R0.46 CNC(=O)CSCCC#N 62a_100011215226_100000183359 [0,1,0,0,0,0|2,0,1]=4 4528 B9R0.46 CNC(=O)CSCCCF 62a_100000183359_100011934791 [0,1,0,0,0,0|2,0,0]=3 4529 B9R0.46 CNC(=O)CSCCCF 62a_100011934791_100000183359 [0,1,0,0,0,0|2,0,0]=3 4530 B9R0.46 CNC(=O)CSCCCO 62a_100000183359_100011215043 [0,1,0,0,0,0|2,0,0]=3 4531 B9R0.46 CNC(=O)CSCCCO 62a_100011215043_100000183359 [0,1,0,0,0,0|2,0,0]=3 4532 B9R0.46 CNC(=O)CSCCOC 62a_100000183359_100000233755 [0,1,0,0,0,0|2,0,0]=3 4533 B9R0.46 CNC(=O)CSCCOC 62a_100000233755_100000183359 [0,1,0,0,0,0|2,0,0]=3 4534 B9R0.46 CNC(=O)CSCCSC 62a_100000183359_100000751147 [0,1,0,0,0,0|2,0,0]=3 4535 B9R0.46 CNC(=O)CSCCSC 62a_100000212216_100000183359 [0,1,0,0,0,0|2,0,0]=3 4536 B9R0.46 CNC(=O)NCCCCO 2708a_100000750430_106832991635 [0,1,0,0,0,0|2,0,0]=3 4537 B9R0.46 CNC(=O)NCCCCO 2708a_100102657272_100000750430 [0,1,0,0,0,0|2,0,0]=3 4538 B9R0.46 CNC(=O)NCCCCO 273464a_100000750430_100102657272 [0,1,0,0,0,0|2,0,0]=3 4539 B9R0.46 CNC(=O)NCCCCO 273464a_100102657272_100000750430 [0,1,0,0,0,0|2,0,0]=3 4540 B9R0.46 CNC(=O)NCCCCO 512a_100000750430_100102657272 [0,1,0,0,0,0|2,0,0]=3 4541 B9R0.46 CNC(=O)NCCCCO 512a_106832991638_100000750430 [0,1,0,0,0,0|2,0,0]=3 4542 B9R0.46 CNC(=O)NCCCOC 2708a_100102657272_100150723488 [0,1,0,0,0,0|2,0,0]=3 4543 B9R0.46 CNC(=O)NCCCOC 2708a_100150723488_106832991635 [0,1,0,0,0,0|2,0,0]=3 4544 B9R0.46 CNC(=O)NCCCOC 273464a_100102657272_100150723488 [0,1,0,0,0,0|2,0,0]=3 4545 B9R0.46 CNC(=O)NCCCOC 273464a_100150723488_100102657272 [0,1,0,0,0,0|2,0,0]=3 4546 B9R0.46 CNC(=O)NCCCOC 512a_106832991638_100150723488 [0,1,0,0,0,0|2,0,0]=3 4547 B9R0.46 CNC(=O)NCCCSC 2708a_100000749238_106832991635 [0,1,0,0,0,0|2,0,0]=3 4548 B9R0.46 CNC(=O)NCCCSC 2708a_100102657272_100000749238 [0,1,0,0,0,0|2,0,0]=3 4549 B9R0.46 CNC(=O)NCCCSC 273464a_100000749238_100102657272 [0,1,0,0,0,0|2,0,0]=3 4550 B9R0.46 CNC(=O)NCCCSC 273464a_100102657272_100000749238 [0,1,0,0,0,0|2,0,0]=3 4551 B9R0.46 CNC(=O)NCCCSC 512a_100000749238_100102657272 [0,1,0,0,0,0|2,0,0]=3 4552 B9R0.46 CNC(=O)NCCCSC 512a_106832991638_100000749238 [0,1,0,0,0,0|2,0,0]=3 4553 B9R0.46 CNC(=O)NCCNCF 34a_100015205895_100015361967 [0,1,0,0,0,0|3,0,0]=4 4554 B9R0.46 CNC(=O)NNCCOC 273464a_100102657272_100000741390 [0,1,0,0,0,0|3,0,0]=4 4555 B9R0.46 CNC(=O)OCCSCF 62a_100015361967_200011997002 [0,1,0,0,0,0|3,0,0]=4 4556 B9R0.46 CNC(=O)OCCSCF 62a_200011997002_100015361967 [0,1,0,0,0,0|3,0,0]=4 4557 B9R0.46 CNCCCCC(=O)OC 2230a_106832991635_100000204269 [0,1,0,0,0,0|1,0,0]=2 4558 B9R0.46 CNCCCCC(=O)OC 34a_100102657272_100000204269 [0,1,0,0,0,0|1,0,0]=2 4559 B9R0.46 CNCCCCC(=O)OC 7a_106832991635_100000204269 [0,1,0,0,0,0|1,0,0]=2 4560 B9R0.46 CNCCOCC(=O)OC 2230a_106832991635_100000090808 [0,1,0,0,0,0|2,0,0]=3 4561 B9R0.46 CNCCOCC(=O)OC 34a_100102657272_100000090808 [0,1,0,0,0,0|2,0,0]=3 4562 B9R0.46 CNCCOCC(=O)OC 7a_106832991635_100000090808 [0,1,0,0,0,0|2,0,0]=3 4563 B9R0.46 COC(=O)CCCCO[13CH3] 34a_100000059025_200025704644 [0,1,0,0,0,0|1,0,0]=2 4564 B9R0.46 COC(=O)CCCCO[13CH3] 7a_100000059025_200025704644 [0,1,0,0,0,0|1,0,0]=2 4565 B9R0.46 COC(=O)CCCCSC 62a_100000204269_200000210301 [0,1,0,0,0,0|1,0,0]=2 4566 B9R0.46 COC(=O)CCCCSC 62a_200000210301_100000204269 [0,1,0,0,0,0|1,0,0]=2 4567 B9R0.46 COC(=O)CCCCS[13CH3] 62a_100000204269_200025704644 [0,1,0,0,0,0|1,0,0]=2 4568 B9R0.46 COC(=O)CCCCS[13CH3] 62a_200025704644_100000204269 [0,1,0,0,0,0|1,0,0]=2 4569 B9R0.46 COC(=O)CCCSCF 62a_100011218270_100015361967 [0,1,0,0,0,0|2,0,0]=3 4570 B9R0.46 COC(=O)CCCSCF 62a_100015361967_100011218270 [0,1,0,0,0,0|2,0,0]=3 4571 B9R0.46 COC(=O)CCNCCF 34a_100000724931_100000742370 [0,1,0,0,0,0|2,0,0]=3 4572 B9R0.46 COC(=O)CCNCCO 2230a_100016997473_100000204255 [0,1,0,0,0,0|2,0,0]=3 4573 B9R0.46 COC(=O)CCNCCO 34a_100016990907_100000742370 [0,1,0,0,0,0|2,0,0]=3 4574 B9R0.46 COC(=O)CCOCCBr 34a_100000211926_100000742370 [0,1,0,0,0,0|2,0,0]=3 4575 B9R0.46 COC(=O)CCOCCN 34a_100000210304_100000742370 [0,1,0,0,0,0|2,0,0]=3 4576 B9R0.46 COC(=O)CCSCC#N 62a_100000204255_100011215382 [0,1,0,0,0,0|2,0,1]=4 4577 B9R0.46 COC(=O)CCSCC#N 62a_100011215382_100000204255 [0,1,0,0,0,0|2,0,1]=4 4578 B9R0.46 COC(=O)CCSCC=O 62a_100000204255_200015260668 [0,1,0,0,0,0|2,0,1]=4 4579 B9R0.46 COC(=O)CCSCC=O 62a_200015260668_100000204255 [0,1,0,0,0,0|2,0,1]=4 4580 B9R0.46 COC(=O)CCSCCF 62a_100000204255_100011217306 [0,1,0,0,0,0|2,0,0]=3 4581 B9R0.46 COC(=O)CCSCCF 62a_100011217306_100000204255 [0,1,0,0,0,0|2,0,0]=3 4582 B9R0.46 COC(=O)CCSCCO 62a_100000204255_100000211926 [0,1,0,0,0,0|2,0,0]=3 4583 B9R0.46 COC(=O)CCSCCO 62a_100000211926_100000204255 [0,1,0,0,0,0|2,0,0]=3 4584 B9R0.46 COC(=O)CCSCSC 62a_100000204255_100011218213 [0,1,0,0,0,0|2,0,0]=3 4585 B9R0.46 COC(=O)CCSCSC 62a_100011218213_100000204255 [0,1,0,0,0,0|2,0,0]=3 4586 B9R0.46 COC(=O)CNCCCF 2230a_100015189416_100000747449 [0,1,0,0,0,0|2,0,0]=3 4587 B9R0.46 COC(=O)CNCCCF 34a_100015189416_100000747449 [0,1,0,0,0,0|2,0,0]=3 4588 B9R0.46 COC(=O)CNCCSC 2230a_100020590264_100000747449 [0,1,0,0,0,0|2,0,0]=3 4589 B9R0.46 COC(=O)COCCCBr 34a_100011217188_100000747449 [0,1,0,0,0,0|2,0,0]=3 4590 B9R0.46 COC(=O)COCCCCl 34a_100000230001_100000747449 [0,1,0,0,0,0|2,0,0]=3 4591 B9R0.46 COC(=O)COCCCF 34a_100000759539_100000747449 [0,1,0,0,0,0|2,0,0]=3 4592 B9R0.46 COC(=O)COCCCN 34a_100000182051_100000747449 [0,1,0,0,0,0|2,0,0]=3 4593 B9R0.46 COC(=O)COCCON 34a_100000700252_100000747449 [0,1,0,0,0,0|3,0,0]=4 4594 B9R0.46 COC(=O)COCCSC 34a_100000230434_100000747449 [0,1,0,0,0,0|2,0,0]=3 4595 B9R0.46 COC(=O)COCCSC 62a_100000090808_200000210301 [0,1,0,0,0,0|2,0,0]=3 4596 B9R0.46 COC(=O)COCCSC 62a_200000210301_100000090808 [0,1,0,0,0,0|2,0,0]=3 4597 B9R0.46 COC(=O)COCCSC 7a_100000230434_100000747449 [0,1,0,0,0,0|2,0,0]=3 4598 B9R0.46 COC(=O)COCCS[13CH3] 62a_100000090808_200025704644 [0,1,0,0,0,0|2,0,0]=3 4599 B9R0.46 COC(=O)COCCS[13CH3] 62a_200025704644_100000090808 [0,1,0,0,0,0|2,0,0]=3 4600 B9R0.46 COC(=O)CSCCC#N 62a_100000747449_100011215226 [0,1,0,0,0,0|2,0,1]=4 4601 B9R0.46 COC(=O)CSCCC#N 62a_100011215226_100000747449 [0,1,0,0,0,0|2,0,1]=4 4602 B9R0.46 COC(=O)CSCCCF 62a_100000747449_100011934791 [0,1,0,0,0,0|2,0,0]=3 4603 B9R0.46 COC(=O)CSCCCF 62a_100011934791_100000747449 [0,1,0,0,0,0|2,0,0]=3 4604 B9R0.46 COC(=O)CSCCCO 62a_100000747449_100011215043 [0,1,0,0,0,0|2,0,0]=3 4605 B9R0.46 COC(=O)CSCCCO 62a_100011215043_100000747449 [0,1,0,0,0,0|2,0,0]=3 4606 B9R0.46 COC(=O)CSCCSC 62a_100000212216_100000747449 [0,1,0,0,0,0|2,0,0]=3 4607 B9R0.46 COC(=O)CSCCSC 62a_100000747449_100000751147 [0,1,0,0,0,0|2,0,0]=3 4608 B9R0.46 COC(=O)NCCOCF 34a_100000757965_100015361967 [0,1,0,0,0,0|3,0,0]=4 4609 B9R0.46 COC(=O)OCCOCF 34a_100010262106_100015361967 [0,1,0,0,0,0|3,0,0]=4 4610 B9R0.46 COC(=O)OCSCCF 62a_100011217306_100000139417 [0,1,0,0,0,0|3,0,0]=4 4611 B9R0.46 COC(=O)OCSCCO 62a_100000211926_100000139417 [0,1,0,0,0,0|3,0,0]=4 4612 B9R0.46 COC(=O)OCSCSC 62a_100011218213_100000139417 [0,1,0,0,0,0|3,0,0]=4 4613 B9R0.46 COCCCCC(=O)CO 1458a_100000210174_100000755781 [0,1,0,0,0,0|1,0,0]=2 4614 B9R0.46 COCCCCC(=O)OC 34a_100000059025_200000210301 [0,1,0,0,0,0|1,0,0]=2 4615 B9R0.46 COCCCCC(=O)OC 34a_100138415774_100000204269 [0,1,0,0,0,0|1,0,0]=2 4616 B9R0.46 COCCCCC(=O)OC 7a_100000059025_200000210301 [0,1,0,0,0,0|1,0,0]=2 4617 B9R0.46 COCCCNC(=O)CO 240690a_100150723488_100000210174 [0,1,0,0,0,0|2,0,0]=3 4618 B9R0.46 COCCCNC(=O)CO 527a_100150723488_100000210174 [0,1,0,0,0,0|2,0,0]=3 4619 B9R0.46 COCCNCC(=O)OC 2230a_100000209980_100000747449 [0,1,0,0,0,0|2,0,0]=3 4620 B9R0.46 COCCNNC(=O)CO 22a_100000741390_100000210174 [0,1,0,0,0,0|3,0,0]=4 4621 B9R0.46 COCCOCC(=O)CF 1458a_100000211095_100015361967 [0,1,0,0,0,0|2,0,0]=3 4622 B9R0.46 COCCOCC(=O)OC 34a_100000210237_100000747449 [0,1,0,0,0,0|2,0,0]=3 4623 B9R0.46 COCCOCC(=O)OC 34a_100138415774_100000090808 [0,1,0,0,0,0|2,0,0]=3 4624 B9R0.46 COCCSCC(=O)OC 62a_100000233755_100000747449 [0,1,0,0,0,0|2,0,0]=3 4625 B9R0.46 COCCSCC(=O)OC 62a_100000747449_100000233755 [0,1,0,0,0,0|2,0,0]=3 4626 B9R0.46 COCSCCC(=O)OC 62a_100000204255_100000766300 [0,1,0,0,0,0|2,0,0]=3 4627 B9R0.46 COCSCCC(=O)OC 62a_100000766300_100000204255 [0,1,0,0,0,0|2,0,0]=3 4628 B9R0.46 COCSCOC(=O)OC 62a_100000766300_100000139417 [0,1,0,0,0,0|3,0,0]=4 4629 B9R0.46 CSCCCNC(=O)CO 240690a_100000749238_100000210174 [0,1,0,0,0,0|2,0,0]=3 4630 B9R0.46 CSCCCNC(=O)CO 527a_100000749238_100000210174 [0,1,0,0,0,0|2,0,0]=3 4631 B9R0.46 N#CCCCCC(=O)CO 1458a_100000210174_100000211819 [0,1,0,0,0,0|1,0,1]=3 4632 B9R0.46 N#CCOCCC(=O)CO 1458a_100000210174_200000047693 [0,1,0,0,0,0|2,0,1]=4 4633 B9R0.46 NNC(=O)CCCOCF 34a_100000211488_100015361967 [0,1,0,0,0,0|3,0,0]=4 4634 B9R0.46 O=C(CF)CCCCCO 1458a_100102619762_100015361967 [0,1,0,0,0,0|1,0,0]=2 4635 B9R0.46 O=C(CF)CCOCCO 1458a_100011229844_100015361967 [0,1,0,0,0,0|2,0,0]=3 4636 B9R0.46 O=C(CO)CCCCCF 1458a_100000210174_100000729378 [0,1,0,0,0,0|1,0,0]=2 4637 B9R0.46 O=C(CO)CCCCCO 1458a_100000210174_100000746330 [0,1,0,0,0,0|1,0,0]=2 4638 B9R0.46 O=C(CO)CCOCCO 1458a_100000210174_100011215305 [0,1,0,0,0,0|2,0,0]=3 4639 B9R0.46 O=C(CO)NCCCCO 240690a_100000750430_100000210174 [0,1,0,0,0,0|2,0,0]=3 4640 B9R0.46 O=C(CO)NCCCCO 527a_100000750430_100000210174 [0,1,0,0,0,0|2,0,0]=3 4641 B9R0.46 [N-]=[N+]=NCCCC(=O)CF 1458a_100010262590_100015361967 [0,1,0,0,0,0|3,0,0]=4 4642 B9R0.47 C#CCCOC(C)C(=O)C 34a_100000212229_100000688953 [0,1,0,0,0,0|1,0,2]=4 4643 B9R0.47 C#CCCSC(C)C(=O)C 62a_100000688953_100009814033 [0,1,0,0,0,0|1,0,2]=4 4644 B9R0.47 C#CCCSC(C)C(=O)C 62a_100009814033_100000688953 [0,1,0,0,0,0|1,0,2]=4 4645 B9R0.47 C#CCOCC(C)C(=O)C 34a_100000032740_100000184674 [0,1,0,0,0,0|1,0,2]=4 4646 B9R0.47 C#CCOCC(C)C(=O)C 7a_100000032740_100000038162 [0,1,0,0,0,0|1,0,2]=4 4647 B9R0.47 C/C=C/COC(C)C(=O)C 34a_100000212229_100102629194 [0,1,0,0,0,0|1,0,2]=4 4648 B9R0.47 C/C=C/CSC(C)C(=O)C 62a_100009814033_100102629194 [0,1,0,0,0,0|1,0,2]=4 4649 B9R0.47 C/C=C/CSC(C)C(=O)C 62a_100102629194_100009814033 [0,1,0,0,0,0|1,0,2]=4 4650 B9R0.47 C=C(C)C(=O)CCCCC 1458a_100000185857_100000210326 [0,1,0,0,0,0|1,0,1]=3 4651 B9R0.47 C=C(C)C(=O)CCCCF 1458a_100000185857_100000729493 [0,1,0,0,0,0|2,0,1]=4 4652 B9R0.47 C=C(C)C(=O)CCCCO 1458a_100000185857_100000210776 [0,1,0,0,0,0|2,0,1]=4 4653 B9R0.47 C=C(C)C(=O)CCCOC 1458a_100000185857_100000740836 [0,1,0,0,0,0|2,0,1]=4 4654 B9R0.47 C=C(C)C(=O)CCOCC 1458a_100000185857_100011215890 [0,1,0,0,0,0|2,0,1]=4 4655 B9R0.47 C=C(C)C(=O)CCSCC 1458a_100000185857_100000757381 [0,1,0,0,0,0|2,0,1]=4 4656 B9R0.47 C=C(C)C(=O)NCCCC 11a_100000102301_100000185857 [0,1,0,0,0,0|2,0,1]=4 4657 B9R0.47 C=C(C)C(=O)NCCCC 1626a_100000102301_100000185857 [0,1,0,0,0,0|2,0,1]=4 4658 B9R0.47 C=C(C)C(C)NCCCC 269862a_100000102301_100011216138 [0,1,0,0,0,0|2,0,0]=3 4659 B9R0.47 C=C(C)C(C)NCCCF 269862a_100015189416_100011216138 [0,1,0,0,0,0|3,0,0]=4 4660 B9R0.47 C=C(C)C(C)NCCCO 269862a_100000182051_100011216138 [0,1,0,0,0,0|3,0,0]=4 4661 B9R0.47 C=C(C)C(C)NCCOC 269862a_100000209980_100011216138 [0,1,0,0,0,0|3,0,0]=4 4662 B9R0.47 C=C(C)C(C)NCCSC 269862a_100020590264_100011216138 [0,1,0,0,0,0|3,0,0]=4 4663 B9R0.47 C=CCCNC(C)C(=O)C 2230a_100015191253_100009814033 [0,1,0,0,0,0|1,0,2]=4 4664 B9R0.47 C=CCCOC(C)C(=O)C 34a_100000212229_100000754431 [0,1,0,0,0,0|1,0,2]=4 4665 B9R0.47 C=CCCSC(C)C(=O)C 62a_100000754431_100009814033 [0,1,0,0,0,0|1,0,2]=4 4666 B9R0.47 C=CCCSC(C)C(=O)C 62a_100009814033_100000754431 [0,1,0,0,0,0|1,0,2]=4 4667 B9R0.47 C=CCOCC(C)C(=O)C 34a_100000032740_100015514636 [0,1,0,0,0,0|1,0,2]=4 4668 B9R0.47 C=CCOCC(C)C(=O)C 7a_100000032740_100015514636 [0,1,0,0,0,0|1,0,2]=4 4669 B9R0.47 CC#CCNC(C)C(=O)C 2230a_100000685387_100009814033 [0,1,0,0,0,0|1,0,2]=4 4670 B9R0.47 CC#CCOC(C)C(=O)C 34a_100000212229_100000748600 [0,1,0,0,0,0|1,0,2]=4 4671 B9R0.47 CC#CCSC(C)C(=O)C 62a_100000748600_100009814033 [0,1,0,0,0,0|1,0,2]=4 4672 B9R0.47 CC#CCSC(C)C(=O)C 62a_100009814033_100000748600 [0,1,0,0,0,0|1,0,2]=4 4673 B9R0.47 CC(=O)C(=O)CNCCF 34a_100000724931_100011261029 [0,1,0,0,0,0|2,0,1]=4 4674 B9R0.47 CC(=O)C(=O)CNCCO 34a_100016990907_100011261029 [0,1,0,0,0,0|2,0,1]=4 4675 B9R0.47 CC(=O)C(=O)COCCBr 34a_100000211926_100011261029 [0,1,0,0,0,0|2,0,1]=4 4676 B9R0.47 CC(=O)C(=O)COCCN 34a_100000210304_100011261029 [0,1,0,0,0,0|2,0,1]=4 4677 B9R0.47 CC(=O)C(=O)CSCCF 62a_100011217306_100011261029 [0,1,0,0,0,0|2,0,1]=4 4678 B9R0.47 CC(=O)C(=O)CSCCF 62a_100011261029_100011217306 [0,1,0,0,0,0|2,0,1]=4 4679 B9R0.47 CC(=O)C(=O)CSCCO 62a_100000211926_100011261029 [0,1,0,0,0,0|2,0,1]=4 4680 B9R0.47 CC(=O)C(=O)CSCCO 62a_100011261029_100000211926 [0,1,0,0,0,0|2,0,1]=4 4681 B9R0.47 CC(=O)C(C)COCC#N 7a_100000032740_100011215382 [0,1,0,0,0,0|2,0,1]=4 4682 B9R0.47 CC(=O)C(C)COCC=O 34a_100000032740_200009817547 [0,1,0,0,0,0|2,0,1]=4 4683 B9R0.47 CC(=O)C(C)COCC=O 7a_100000032740_200015260668 [0,1,0,0,0,0|2,0,1]=4 4684 B9R0.47 CC(=O)C(C)COCCF 34a_100000032740_100011217306 [0,1,0,0,0,0|2,0,0]=3 4685 B9R0.47 CC(=O)C(C)COCCF 7a_100000032740_100011217306 [0,1,0,0,0,0|2,0,0]=3 4686 B9R0.47 CC(=O)C(C)COCCO 34a_100000032740_100000211926 [0,1,0,0,0,0|2,0,0]=3 4687 B9R0.47 CC(=O)C(C)COCCO 7a_100000032740_100000211926 [0,1,0,0,0,0|2,0,0]=3 4688 B9R0.47 CC(=O)C(C)NCCCF 2230a_100015189416_100009814033 [0,1,0,0,0,0|2,0,0]=3 4689 B9R0.47 CC(=O)C(C)OCCCF 34a_100000212229_100011934791 [0,1,0,0,0,0|2,0,0]=3 4690 B9R0.47 CC(=O)C(C)OCCCO 34a_100000212229_100000230001 [0,1,0,0,0,0|2,0,0]=3 4691 B9R0.47 CC(=O)C(C)SCCC#N 62a_100009814033_100011215226 [0,1,0,0,0,0|2,0,1]=4 4692 B9R0.47 CC(=O)C(C)SCCC#N 62a_100011215226_100009814033 [0,1,0,0,0,0|2,0,1]=4 4693 B9R0.47 CC(=O)C(C)SCCCF 62a_100009814033_100011934791 [0,1,0,0,0,0|2,0,0]=3 4694 B9R0.47 CC(=O)C(C)SCCCF 62a_100011934791_100009814033 [0,1,0,0,0,0|2,0,0]=3 4695 B9R0.47 CC(=O)C(C)SCCCO 62a_100009814033_100011215043 [0,1,0,0,0,0|2,0,0]=3 4696 B9R0.47 CC(=O)C(C)SCCCO 62a_100011215043_100009814033 [0,1,0,0,0,0|2,0,0]=3 4697 B9R0.47 CC(=O)N(C)CCCCO 240690a_100000717598_100015343762 [0,1,0,0,0,0|2,0,0]=3 4698 B9R0.47 CC(CNCCF)C(=O)O 269956a_100000749485_100011217306 [0,1,0,0,0,0|3,0,0]=4 4699 B9R0.47 CC(CNCCO)C(=O)O 269956a_100000749485_100000211926 [0,1,0,0,0,0|3,0,0]=4 4700 B9R0.47 CC(NCCCF)C(=O)N 2230a_100015189416_100000702099 [0,1,0,0,0,0|3,0,0]=4 4701 B9R0.47 CC(NCCCF)C(=O)N 34a_100015189416_100000702099 [0,1,0,0,0,0|3,0,0]=4 4702 B9R0.47 CC(OCCCBr)C(=O)N 34a_100011217188_100000702099 [0,1,0,0,0,0|3,0,0]=4 4703 B9R0.47 CC(OCCCCl)C(=O)N 34a_100000230001_100000702099 [0,1,0,0,0,0|3,0,0]=4 4704 B9R0.47 CC(OCCCF)C(=O)N 34a_100000759539_100000702099 [0,1,0,0,0,0|3,0,0]=4 4705 B9R0.47 CC(OCCCN)C(=O)N 34a_100000182051_100000702099 [0,1,0,0,0,0|3,0,0]=4 4706 B9R0.47 CC(SCCCF)C(=O)N 62a_100000702099_100011934791 [0,1,0,0,0,0|3,0,0]=4 4707 B9R0.47 CC(SCCCF)C(=O)N 62a_100011934791_100000702099 [0,1,0,0,0,0|3,0,0]=4 4708 B9R0.47 CC(SCCCO)C(=O)N 62a_100000702099_100011215043 [0,1,0,0,0,0|3,0,0]=4 4709 B9R0.47 CC(SCCCO)C(=O)N 62a_100011215043_100000702099 [0,1,0,0,0,0|3,0,0]=4 4710 B9R0.47 CC=CCOC(C)C(=O)C 34a_100000212229_100000070051 [0,1,0,0,0,0|1,0,2]=4 4711 B9R0.47 CC=CCSC(C)C(=O)C 62a_100000070051_100009814033 [0,1,0,0,0,0|1,0,2]=4 4712 B9R0.47 CC=CCSC(C)C(=O)C 62a_100009814033_100000070051 [0,1,0,0,0,0|1,0,2]=4 4713 B9R0.47 CCCCCC(=O)C(C)C 1458a_100000210198_100000210326 [0,1,0,0,0,0|1,0,2]=4 4714 B9R0.47 CCCCCC(=O)C(C)C 1458a_100000212188_100000210206 [0,1,0,0,0,0|1,0,2]=4 4715 B9R0.47 CCCCCC(=O)C(C)F 1458a_100000062450_100000210326 [0,1,0,0,0,0|1,0,2]=4 4716 B9R0.47 CCCCCC(=O)N(C)C 11a_100102631434_100000212188 [0,1,0,0,0,0|2,0,1]=4 4717 B9R0.47 CCCCCC(=O)N(C)C 1626a_100102631434_100000212188 [0,1,0,0,0,0|2,0,1]=4 4718 B9R0.47 CCCCCC(=O)N(C)C 240690a_100102631434_100000212188 [0,1,0,0,0,0|2,0,1]=4 4719 B9R0.47 CCCCCC(=O)N(C)C 527a_100102631434_100000212188 [0,1,0,0,0,0|2,0,1]=4 4720 B9R0.47 CCCCCC(=O)[C@@H](C)O 1458a_100000717761_100000210326 [0,1,0,0,0,0|0,0,3]=4 4721 B9R0.47 CCCCCC(=O)[C@H](C)O 1458a_217856618621_100000210326 [0,1,0,0,0,0|0,0,3]=4 4722 B9R0.47 CCCCCC(C)C(=O)C 1458a_100000070787_200011218191 [0,1,0,0,0,0|0,0,0]=1 4723 B9R0.47 CCCCCC(C)C(=O)C 1458a_100011215998_200000210301 [0,1,0,0,0,0|0,0,0]=1 4724 B9R0.47 CCCCCC(C)C(=O)[13CH3] 1458a_100011215998_200025704644 [0,1,0,0,0,0|0,0,0]=1 4725 B9R0.47 CCCCCC(C)N(C)C 2230a_100102631434_200011218191 [0,1,0,0,0,0|2,0,0]=3 4726 B9R0.47 CCCCCC(C)N(C)C 269982a_100102631434_200011218191 [0,1,0,0,0,0|2,0,0]=3 4727 B9R0.47 CCCCCC(C)N(C)C 270004a_100102631434_100000211708 [0,1,0,0,0,0|2,0,0]=3 4728 B9R0.47 CCCCCN(C)C(=O)C 11a_100000223495_100015343762 [0,1,0,0,0,0|1,0,0]=2 4729 B9R0.47 CCCCCN(C)C(=O)C 1626a_100000223495_100015343762 [0,1,0,0,0,0|1,0,0]=2 4730 B9R0.47 CCCCCN(C)C(=O)C 240690a_100000223495_100015343762 [0,1,0,0,0,0|1,0,0]=2 4731 B9R0.47 CCCCCN(C)C(=O)C 527a_100000223495_100103153847 [0,1,0,0,0,0|1,0,0]=2 4732 B9R0.47 CCCCCN(C)C(C)C 2230a_100000223495_100000210206 [0,1,0,0,0,0|2,0,1]=4 4733 B9R0.47 CCCCCN(C)C(C)C 2230a_100000223497_200000210301 [0,1,0,0,0,0|2,0,1]=4 4734 B9R0.47 CCCCCN(C)C(C)C 269982a_100000223495_100000210206 [0,1,0,0,0,0|2,0,1]=4 4735 B9R0.47 CCCCCN(C)C(C)C 269982a_100000223497_200000210301 [0,1,0,0,0,0|2,0,1]=4 4736 B9R0.47 CCCCCN(C)C(C)C 269982a_200000211004_100000210215 [0,1,0,0,0,0|2,0,1]=4 4737 B9R0.47 CCCCCN([13CH3])C(C)C 2230a_100000223497_200025704644 [0,1,0,0,0,0|2,0,1]=4 4738 B9R0.47 CCCCCN([13CH3])C(C)C 269982a_100000223497_200025704644 [0,1,0,0,0,0|2,0,1]=4 4739 B9R0.47 CCCCNC(=O)C(=O)N 240690a_100000102301_100011215815 [0,1,0,0,0,0|2,0,1]=4 4740 B9R0.47 CCCCNC(C)C(=O)C 2230a_100000102301_100009814033 [0,1,0,0,0,0|1,0,0]=2 4741 B9R0.47 CCCCNC(C)C(=O)C 7a_106832991798_100000179758 [0,1,0,0,0,0|1,0,0]=2 4742 B9R0.47 CCCCNC(C)C(=O)N 2230a_100000102301_100000702099 [0,1,0,0,0,0|2,0,0]=3 4743 B9R0.47 CCCCNC(C)C(=O)N 7a_106832991798_100000702099 [0,1,0,0,0,0|2,0,0]=3 4744 B9R0.47 CCCCNC(C)C(C)C 2230a_100000211541_100000210211 [0,1,0,0,0,0|2,0,1]=4 4745 B9R0.47 CCCCNC(F)C(=O)N 2230a_100000102301_100009813875 [0,1,0,0,0,0|2,0,0]=3 4746 B9R0.47 CCCCNC(F)C(=O)N 7a_106832991798_100009813875 [0,1,0,0,0,0|2,0,0]=3 4747 B9R0.47 CCCCN[C@@H](C)C(=O)O 269956a_100000743915_100000210211 [0,1,0,0,0,0|2,0,0]=3 4748 B9R0.47 CCCCN[C@H](C)C(=O)N 2230a_100000119354_100000210211 [0,1,0,0,0,0|2,0,0]=3 4749 B9R0.47 CCCCN[C@H](C)C(=O)N 34a_100000119354_100000210210 [0,1,0,0,0,0|2,0,0]=3 4750 B9R0.47 CCCCOC(C)C(=O)C 34a_100000212229_100000210210 [0,1,0,0,0,0|1,0,0]=2 4751 B9R0.47 CCCCOC(C)C(=O)C 7a_100000210227_100000179758 [0,1,0,0,0,0|1,0,0]=2 4752 B9R0.47 CCCCOC(C)C(=O)N 34a_100000210227_100000702099 [0,1,0,0,0,0|2,0,0]=3 4753 B9R0.47 CCCCOC(C)C(=O)N 7a_100000210227_100000702099 [0,1,0,0,0,0|2,0,0]=3 4754 B9R0.47 CCCCOC(C)C(C)C 7a_100000748068_100000210211 [0,1,0,0,0,0|2,0,1]=4 4755 B9R0.47 CCCCOC(F)C(=O)N 34a_100000210227_100009813875 [0,1,0,0,0,0|2,0,0]=3 4756 B9R0.47 CCCCOC(F)C(=O)N 7a_100000210227_100009813875 [0,1,0,0,0,0|2,0,0]=3 4757 B9R0.47 CCCCOC(F)C(=O)[O-] 34a_100000210227_100020610796 [0,1,0,0,0,0|2,0,0]=3 4758 B9R0.47 CCCCO[C@@H](C)C(=O)[O-] 7a_217856618621_100000210211 [0,1,0,0,0,0|2,0,0]=3 4759 B9R0.47 CCCCO[C@H](C)C(=O)N 34a_100000731257_100000210210 [0,1,0,0,0,0|2,0,0]=3 4760 B9R0.47 CCCCO[C@H](C)C(=O)N 7a_100000731257_100000210211 [0,1,0,0,0,0|2,0,0]=3 4761 B9R0.47 CCCCSC(C)C(=O)C 1458a_100000191163_200000210301 [0,1,0,0,0,0|1,0,0]=2 4762 B9R0.47 CCCCSC(C)C(=O)C 62a_100000210211_100009814033 [0,1,0,0,0,0|1,0,0]=2 4763 B9R0.47 CCCCSC(C)C(=O)C 62a_100009814033_100000210210 [0,1,0,0,0,0|1,0,0]=2 4764 B9R0.47 CCCCSC(C)C(=O)N 62a_100000210211_100000702099 [0,1,0,0,0,0|2,0,0]=3 4765 B9R0.47 CCCCSC(C)C(=O)N 62a_100000702099_100000210210 [0,1,0,0,0,0|2,0,0]=3 4766 B9R0.47 CCCCSC(C)C(=O)[13CH3] 1458a_100000191163_200025704644 [0,1,0,0,0,0|1,0,0]=2 4767 B9R0.47 CCCCSC(F)C(=O)N 62a_100000210211_100009813875 [0,1,0,0,0,0|2,0,0]=3 4768 B9R0.47 CCCCSC(F)C(=O)N 62a_100009813875_100000210210 [0,1,0,0,0,0|2,0,0]=3 4769 B9R0.47 CCCCSC(F)C(=O)[O-] 62a_100000210211_100020610796 [0,1,0,0,0,0|2,0,0]=3 4770 B9R0.47 CCCCSC(F)C(=O)[O-] 62a_100020610796_100000210210 [0,1,0,0,0,0|2,0,0]=3 4771 B9R0.47 CCCNCC(C)C(=O)O 269956a_100000749485_100000210207 [0,1,0,0,0,0|2,0,0]=3 4772 B9R0.47 CCCNCC(F)C(=O)O 269956a_100000084737_100000210207 [0,1,0,0,0,0|2,0,0]=3 4773 B9R0.47 CCCNCC(O)C(C)C 2230a_100000759067_100000210303 [0,1,0,0,0,0|2,0,1]=4 4774 B9R0.47 CCCNCC(O)C(C)C 34a_100000759067_100000210303 [0,1,0,0,0,0|2,0,1]=4 4775 B9R0.47 CCCOCC(=O)C(=O)C 34a_100000210258_100011261029 [0,1,0,0,0,0|1,0,1]=3 4776 B9R0.47 CCCOCC(C)C(=O)C 34a_100000032740_100000210303 [0,1,0,0,0,0|1,0,0]=2 4777 B9R0.47 CCCOCC(C)C(=O)C 7a_100000032740_100000210303 [0,1,0,0,0,0|1,0,0]=2 4778 B9R0.47 CCCOCC(C)[N+](=O)[O-] 34a_100000039676_100000210303 [0,1,0,0,0,0|3,0,0]=4 4779 B9R0.47 CCCOCC(C)[N+](=O)[O-] 7a_100000039676_100000210303 [0,1,0,0,0,0|3,0,0]=4 4780 B9R0.47 CCCOC[C@H](N)C(=O)N 34a_100000729942_100000210303 [0,1,0,0,0,0|2,0,0]=3 4781 B9R0.47 CCCOC[C@H](N)C(C)C 34a_100011830312_100000210303 [0,1,0,0,0,0|2,0,1]=4 4782 B9R0.47 CCCSCC(=O)C(=O)C 62a_100000210303_100011261029 [0,1,0,0,0,0|1,0,1]=3 4783 B9R0.47 CCCSCC(=O)C(=O)C 62a_100011261029_100000210303 [0,1,0,0,0,0|1,0,1]=3 4784 B9R0.47 CCCSCC(C)N(C)C 270004a_100102631434_100011343953 [0,1,0,0,0,0|3,0,0]=4 4785 B9R0.47 CCOCCC(C)N(C)C 270004a_100102631434_200011216536 [0,1,0,0,0,0|3,0,0]=4 4786 B9R0.47 CCOCCC(N)C(C)C 34a_100161115045_100000210202 [0,1,0,0,0,0|2,0,1]=4 4787 B9R0.47 CCOCN[C@@H](C)C(=O)O 269956a_100000743915_100000739092 [0,1,0,0,0,0|3,0,0]=4 4788 B9R0.47 CCOCSC(C)C(=O)C 62a_100000739092_100009814033 [0,1,0,0,0,0|2,0,0]=3 4789 B9R0.47 CCOCSC(C)C(=O)C 62a_100009814033_100000739092 [0,1,0,0,0,0|2,0,0]=3 4790 B9R0.47 CCOCSC(C)C(=O)N 62a_100000702099_100000739092 [0,1,0,0,0,0|3,0,0]=4 4791 B9R0.47 CCOCSC(C)C(=O)N 62a_100000739092_100000702099 [0,1,0,0,0,0|3,0,0]=4 4792 B9R0.47 CCOCSC(F)C(=O)N 62a_100000739092_100009813875 [0,1,0,0,0,0|3,0,0]=4 4793 B9R0.47 CCOCSC(F)C(=O)N 62a_100009813875_100000739092 [0,1,0,0,0,0|3,0,0]=4 4794 B9R0.47 CCOCSC(F)C(=O)[O-] 62a_100000739092_100020610796 [0,1,0,0,0,0|3,0,0]=4 4795 B9R0.47 CCOCSC(F)C(=O)[O-] 62a_100020610796_100000739092 [0,1,0,0,0,0|3,0,0]=4 4796 B9R0.47 COCCCN(C)C(=O)C 11a_100000224831_100015343762 [0,1,0,0,0,0|2,0,0]=3 4797 B9R0.47 COCCCN(C)C(=O)C 1626a_100000224831_100015343762 [0,1,0,0,0,0|2,0,0]=3 4798 B9R0.47 COCCCN(C)C(=O)C 240690a_100000224831_100015343762 [0,1,0,0,0,0|2,0,0]=3 4799 B9R0.47 COCCCN(C)C(=O)C 527a_100000224831_100103153847 [0,1,0,0,0,0|2,0,0]=3 4800 B9R0.47 COCCNC(C)C(=O)C 2230a_100000209980_100009814033 [0,1,0,0,0,0|2,0,0]=3 4801 B9R0.47 COCCNC(C)C(=O)N 2230a_100000209980_100000702099 [0,1,0,0,0,0|3,0,0]=4 4802 B9R0.47 COCCNC(F)C(=O)N 2230a_100000209980_100009813875 [0,1,0,0,0,0|3,0,0]=4 4803 B9R0.47 COCCN[C@@H](C)C(=O)O 269956a_100000743915_100000233755 [0,1,0,0,0,0|3,0,0]=4 4804 B9R0.47 COCCN[C@H](C)C(=O)N 2230a_100000119354_100011201679 [0,1,0,0,0,0|3,0,0]=4 4805 B9R0.47 COCCN[C@H](C)C(=O)N 34a_100000119354_100011201679 [0,1,0,0,0,0|3,0,0]=4 4806 B9R0.47 COCCOC(C)C(=O)C 34a_100000212229_100011201679 [0,1,0,0,0,0|2,0,0]=3 4807 B9R0.47 COCCOC(C)C(=O)N 34a_100000210237_100000702099 [0,1,0,0,0,0|3,0,0]=4 4808 B9R0.47 COCCOC(F)C(=O)N 34a_100000210237_100009813875 [0,1,0,0,0,0|3,0,0]=4 4809 B9R0.47 COCCOC(F)C(=O)[O-] 34a_100000210237_100020610796 [0,1,0,0,0,0|3,0,0]=4 4810 B9R0.47 COCCO[C@@H](C)C(=O)[O-] 7a_217856618621_100000233755 [0,1,0,0,0,0|3,0,0]=4 4811 B9R0.47 COCCO[C@H](C)C(=O)N 34a_100000731257_100011201679 [0,1,0,0,0,0|3,0,0]=4 4812 B9R0.47 COCCO[C@H](C)C(=O)N 7a_100000731257_100000233755 [0,1,0,0,0,0|3,0,0]=4 4813 B9R0.47 COCCSC(C)C(=O)C 62a_100000233755_100009814033 [0,1,0,0,0,0|2,0,0]=3 4814 B9R0.47 COCCSC(C)C(=O)C 62a_100009814033_100000233755 [0,1,0,0,0,0|2,0,0]=3 4815 B9R0.47 COCCSC(C)C(=O)N 62a_100000233755_100000702099 [0,1,0,0,0,0|3,0,0]=4 4816 B9R0.47 COCCSC(C)C(=O)N 62a_100000702099_100000233755 [0,1,0,0,0,0|3,0,0]=4 4817 B9R0.47 COCCSC(F)C(=O)N 62a_100000233755_100009813875 [0,1,0,0,0,0|3,0,0]=4 4818 B9R0.47 COCCSC(F)C(=O)N 62a_100009813875_100000233755 [0,1,0,0,0,0|3,0,0]=4 4819 B9R0.47 COCCSC(F)C(=O)[O-] 62a_100000233755_100020610796 [0,1,0,0,0,0|3,0,0]=4 4820 B9R0.47 COCCSC(F)C(=O)[O-] 62a_100020610796_100000233755 [0,1,0,0,0,0|3,0,0]=4 4821 B9R0.47 COCNCC(C)C(=O)O 269956a_100000749485_100000766300 [0,1,0,0,0,0|3,0,0]=4 4822 B9R0.47 COCNCC(F)C(=O)O 269956a_100000084737_100000766300 [0,1,0,0,0,0|3,0,0]=4 4823 B9R0.47 COCSCC(=O)C(=O)C 62a_100000766300_100011261029 [0,1,0,0,0,0|2,0,1]=4 4824 B9R0.47 COCSCC(=O)C(=O)C 62a_100011261029_100000766300 [0,1,0,0,0,0|2,0,1]=4 4825 B9R0.47 CSCCCC(C)N(C)C 270004a_100102631434_100011399439 [0,1,0,0,0,0|3,0,0]=4 4826 B9R0.47 CSCCNC(C)C(=O)C 2230a_100020590264_100009814033 [0,1,0,0,0,0|2,0,0]=3 4827 B9R0.47 CSCCNC(C)C(=O)N 2230a_100020590264_100000702099 [0,1,0,0,0,0|3,0,0]=4 4828 B9R0.47 CSCCNC(F)C(=O)N 2230a_100020590264_100009813875 [0,1,0,0,0,0|3,0,0]=4 4829 B9R0.47 CSCCN[C@@H](C)C(=O)O 269956a_100000743915_100000212216 [0,1,0,0,0,0|3,0,0]=4 4830 B9R0.47 CSCCN[C@H](C)C(=O)N 2230a_100000119354_100000751147 [0,1,0,0,0,0|3,0,0]=4 4831 B9R0.47 CSCCN[C@H](C)C(=O)N 34a_100000119354_100000212216 [0,1,0,0,0,0|3,0,0]=4 4832 B9R0.47 CSCCOC(C)C(=O)C 34a_100000212229_100000212216 [0,1,0,0,0,0|2,0,0]=3 4833 B9R0.47 CSCCOC(C)C(=O)C 7a_100000230434_100000179758 [0,1,0,0,0,0|2,0,0]=3 4834 B9R0.47 CSCCOC(C)C(=O)N 34a_100000230434_100000702099 [0,1,0,0,0,0|3,0,0]=4 4835 B9R0.47 CSCCOC(C)C(=O)N 7a_100000230434_100000702099 [0,1,0,0,0,0|3,0,0]=4 4836 B9R0.47 CSCCOC(F)C(=O)N 34a_100000230434_100009813875 [0,1,0,0,0,0|3,0,0]=4 4837 B9R0.47 CSCCOC(F)C(=O)N 7a_100000230434_100009813875 [0,1,0,0,0,0|3,0,0]=4 4838 B9R0.47 CSCCOC(F)C(=O)[O-] 34a_100000230434_100020610796 [0,1,0,0,0,0|3,0,0]=4 4839 B9R0.47 CSCCO[C@@H](C)C(=O)[O-] 7a_217856618621_100000212216 [0,1,0,0,0,0|3,0,0]=4 4840 B9R0.47 CSCCO[C@H](C)C(=O)N 34a_100000731257_100000212216 [0,1,0,0,0,0|3,0,0]=4 4841 B9R0.47 CSCCO[C@H](C)C(=O)N 7a_100000731257_100000212216 [0,1,0,0,0,0|3,0,0]=4 4842 B9R0.47 CSCCSC(C)C(=O)C 62a_100000212216_100009814033 [0,1,0,0,0,0|2,0,0]=3 4843 B9R0.47 CSCCSC(C)C(=O)C 62a_100009814033_100000751147 [0,1,0,0,0,0|2,0,0]=3 4844 B9R0.47 CSCCSC(C)C(=O)N 62a_100000212216_100000702099 [0,1,0,0,0,0|3,0,0]=4 4845 B9R0.47 CSCCSC(C)C(=O)N 62a_100000702099_100000751147 [0,1,0,0,0,0|3,0,0]=4 4846 B9R0.47 CSCCSC(F)C(=O)N 62a_100000212216_100009813875 [0,1,0,0,0,0|3,0,0]=4 4847 B9R0.47 CSCCSC(F)C(=O)N 62a_100009813875_100000751147 [0,1,0,0,0,0|3,0,0]=4 4848 B9R0.47 CSCCSC(F)C(=O)[O-] 62a_100000212216_100020610796 [0,1,0,0,0,0|3,0,0]=4 4849 B9R0.47 CSCCSC(F)C(=O)[O-] 62a_100020610796_100000751147 [0,1,0,0,0,0|3,0,0]=4 4850 B9R0.47 CSCNCC(C)C(=O)O 269956a_100000749485_100011218213 [0,1,0,0,0,0|3,0,0]=4 4851 B9R0.47 CSCNCC(F)C(=O)O 269956a_100000084737_100011218213 [0,1,0,0,0,0|3,0,0]=4 4852 B9R0.47 CSCOCC(C)C(=O)C 34a_100000032740_100011218213 [0,1,0,0,0,0|2,0,0]=3 4853 B9R0.47 CSCOC[C@H](N)C(=O)N 34a_100000729942_100011218213 [0,1,0,0,0,0|3,0,0]=4 4854 B9R0.47 CSCSCC(=O)C(=O)C 62a_100011218213_100011261029 [0,1,0,0,0,0|2,0,1]=4 4855 B9R0.47 CSCSCC(=O)C(=O)C 62a_100011261029_100011218213 [0,1,0,0,0,0|2,0,1]=4 4856 B9R0.47 C[C@@H](NCCCF)C(=O)N 2230a_100000119354_100011934791 [0,1,0,0,0,0|3,0,0]=4 4857 B9R0.47 C[C@@H](NCCCF)C(=O)N 34a_100000119354_100011934791 [0,1,0,0,0,0|3,0,0]=4 4858 B9R0.47 C[C@@H](NCCCO)C(=O)N 2230a_100000119354_100000230001 [0,1,0,0,0,0|3,0,0]=4 4859 B9R0.47 C[C@@H](NCCCO)C(=O)N 34a_100000119354_100000230001 [0,1,0,0,0,0|3,0,0]=4 4860 B9R0.47 C[C@@H](OCCCF)C(=O)N 34a_100000731257_100011934791 [0,1,0,0,0,0|3,0,0]=4 4861 B9R0.47 C[C@@H](OCCCF)C(=O)N 7a_100000731257_100011934791 [0,1,0,0,0,0|3,0,0]=4 4862 B9R0.47 C[C@@H](OCCCO)C(=O)N 34a_100000731257_100000230001 [0,1,0,0,0,0|3,0,0]=4 4863 B9R0.47 C[C@@H](OCCCO)C(=O)N 7a_100000731257_100011215043 [0,1,0,0,0,0|3,0,0]=4 4864 B9R0.47 C[C@H](NCCCF)C(=O)O 269956a_100000743915_100011934791 [0,1,0,0,0,0|3,0,0]=4 4865 B9R0.47 C[C@H](NCCCO)C(=O)O 269956a_100000743915_100011215043 [0,1,0,0,0,0|3,0,0]=4 4866 B9R0.47 C[C@H](OCCCF)C(=O)[O-] 7a_217856618621_100011934791 [0,1,0,0,0,0|3,0,0]=4 4867 B9R0.47 C[C@H](OCCCO)C(=O)[O-] 7a_217856618621_100011215043 [0,1,0,0,0,0|3,0,0]=4 4868 B9R0.47 NC(=O)C(F)NCCCF 2230a_100015189416_100009813875 [0,1,0,0,0,0|3,0,0]=4 4869 B9R0.47 NC(=O)C(F)NCCCF 34a_100015189416_100009813875 [0,1,0,0,0,0|3,0,0]=4 4870 B9R0.47 NC(=O)C(F)OCCCBr 34a_100011217188_100009813875 [0,1,0,0,0,0|3,0,0]=4 4871 B9R0.47 NC(=O)C(F)OCCCCl 34a_100000230001_100009813875 [0,1,0,0,0,0|3,0,0]=4 4872 B9R0.47 NC(=O)C(F)OCCCF 34a_100000759539_100009813875 [0,1,0,0,0,0|3,0,0]=4 4873 B9R0.47 NC(=O)C(F)SCCCF 62a_100009813875_100011934791 [0,1,0,0,0,0|3,0,0]=4 4874 B9R0.47 NC(=O)C(F)SCCCF 62a_100011934791_100009813875 [0,1,0,0,0,0|3,0,0]=4 4875 B9R0.47 NC(=O)C(F)SCCCO 62a_100009813875_100011215043 [0,1,0,0,0,0|3,0,0]=4 4876 B9R0.47 NC(=O)C(F)SCCCO 62a_100011215043_100009813875 [0,1,0,0,0,0|3,0,0]=4 4877 B9R0.47 NC(=O)[C@@H](N)COCCF 34a_100000729942_100011217306 [0,1,0,0,0,0|3,0,0]=4 4878 B9R0.47 NC(=O)[C@@H](N)COCCO 34a_100000729942_100000211926 [0,1,0,0,0,0|3,0,0]=4 4879 B9R0.47 NCCCOC(F)C(=O)N 34a_100000182051_100009813875 [0,1,0,0,0,0|3,0,0]=4 4880 B9R0.47 NCCCOC(F)C(=O)[O-] 34a_100000182051_100020610796 [0,1,0,0,0,0|3,0,0]=4 4881 B9R0.47 O=C(O)C(F)CNCCF 269956a_100000084737_100011217306 [0,1,0,0,0,0|3,0,0]=4 4882 B9R0.47 O=C(O)C(F)CNCCO 269956a_100000084737_100000211926 [0,1,0,0,0,0|3,0,0]=4 4883 B9R0.47 O=C([O-])C(F)NCCCF 34a_100015189416_100020610796 [0,1,0,0,0,0|3,0,0]=4 4884 B9R0.47 O=C([O-])C(F)OCCCBr 34a_100011217188_100020610796 [0,1,0,0,0,0|3,0,0]=4 4885 B9R0.47 O=C([O-])C(F)OCCCCl 34a_100000230001_100020610796 [0,1,0,0,0,0|3,0,0]=4 4886 B9R0.47 O=C([O-])C(F)OCCCF 34a_100000759539_100020610796 [0,1,0,0,0,0|3,0,0]=4 4887 B9R0.47 O=C([O-])C(F)SCCCF 62a_100011934791_100020610796 [0,1,0,0,0,0|3,0,0]=4 4888 B9R0.47 O=C([O-])C(F)SCCCF 62a_100020610796_100011934791 [0,1,0,0,0,0|3,0,0]=4 4889 B9R0.47 O=C([O-])C(F)SCCCO 62a_100011215043_100020610796 [0,1,0,0,0,0|3,0,0]=4 4890 B9R0.47 O=C([O-])C(F)SCCCO 62a_100020610796_100011215043 [0,1,0,0,0,0|3,0,0]=4 4891 B9R0.48 C=C(C)CCC(=O)CCC 1458a_100000211992_100000730704 [0,1,0,0,0,0|1,0,1]=3 4892 B9R0.48 C=C(C)CCC(=O)CCC 1458a_200000688413_100000210303 [0,1,0,0,0,0|1,0,1]=3 4893 B9R0.48 C=C(C)CCC(=O)CCF 1458a_200000688413_100011217306 [0,1,0,0,0,0|2,0,1]=4 4894 B9R0.48 C=C(C)CCC(=O)CCO 1458a_100011216618_100000730704 [0,1,0,0,0,0|2,0,1]=4 4895 B9R0.48 C=C(C)CCC(=O)CCO 1458a_200000688413_100000211926 [0,1,0,0,0,0|2,0,1]=4 4896 B9R0.48 C=C(C)CCC(=O)COC 1458a_100000210968_100000730704 [0,1,0,0,0,0|2,0,1]=4 4897 B9R0.48 C=C(C)CCC(=O)CSC 1458a_100000184570_100000730704 [0,1,0,0,0,0|2,0,1]=4 4898 B9R0.48 C=C(C)CCC(=O)NCC 11a_100015525214_200000688413 [0,1,0,0,0,0|2,0,1]=4 4899 B9R0.48 C=C(C)CCC(=O)NCC 240690a_100015525214_200000688413 [0,1,0,0,0,0|2,0,1]=4 4900 B9R0.48 C=C(C)CCC(=O)NCC 527a_100015525214_200000688413 [0,1,0,0,0,0|2,0,1]=4 4901 B9R0.48 C=C(C)CCC(C)NCC 270004a_100015525214_100011215600 [0,1,0,0,0,0|2,0,0]=3 4902 B9R0.48 C=C(C)CCN(C)CCC 2230a_100000747261_100000730704 [0,1,0,0,0,0|2,0,0]=3 4903 B9R0.48 C=C(C)CCN(C)CCC 269982a_100000747261_100000730704 [0,1,0,0,0,0|2,0,0]=3 4904 B9R0.48 C=C(C)CCN(C)CCO 2230a_100000210263_100000730704 [0,1,0,0,0,0|3,0,0]=4 4905 B9R0.48 C=C(C)CCN(C)CCO 269982a_100000210263_100000730704 [0,1,0,0,0,0|3,0,0]=4 4906 B9R0.48 C=C(C)CNC(=O)CCC 11a_100000765925_100000211992 [0,1,0,0,0,0|2,0,1]=4 4907 B9R0.48 C=C(C)CNC(=O)CCC 1626a_100000765925_100000211992 [0,1,0,0,0,0|2,0,1]=4 4908 B9R0.48 C=C(C)CNC(=O)CCC 240690a_100000765925_100000211992 [0,1,0,0,0,0|2,0,1]=4 4909 B9R0.48 C=C(C)CNC(=O)CCC 527a_100000765925_100000211992 [0,1,0,0,0,0|2,0,1]=4 4910 B9R0.48 C=C(C)CNC(C)CCC 2230a_100000741246_100000748629 [0,1,0,0,0,0|2,0,0]=3 4911 B9R0.48 C=C(C)CN[C@H](C)CCO 2230a_100000706166_100000748629 [0,1,0,0,0,0|3,0,0]=4 4912 B9R0.48 C=C(C)CN[C@H](C)CCO 34a_100000706166_100000748629 [0,1,0,0,0,0|3,0,0]=4 4913 B9R0.48 C=C(C)CN[C@H](C)COC 2230a_100000764878_100000748629 [0,1,0,0,0,0|3,0,0]=4 4914 B9R0.48 C=C(C)COC(C)CCBr 34a_100012276601_100000748629 [0,1,0,0,0,0|3,0,0]=4 4915 B9R0.48 C=C(C)COC(C)CCC 34a_100000210245_100000766640 [0,1,0,0,0,0|2,0,0]=3 4916 B9R0.48 C=C(C)COC(C)CCC 34a_100000764384_100000748629 [0,1,0,0,0,0|2,0,0]=3 4917 B9R0.48 C=C(C)COC(C)CCC 7a_100000764384_100000748629 [0,1,0,0,0,0|2,0,0]=3 4918 B9R0.48 C=C(C)COC(C)CCO 34a_100000210245_100009893172 [0,1,0,0,0,0|3,0,0]=4 4919 B9R0.48 C=C(C)COC(C)COC 34a_100000210245_100000765312 [0,1,0,0,0,0|3,0,0]=4 4920 B9R0.48 C=C(C)CO[C@H](C)COC 34a_100011934205_100000748629 [0,1,0,0,0,0|3,0,0]=4 4921 B9R0.48 C=C(C)CSC(C)CCC 62a_100000748629_100000766640 [0,1,0,0,0,0|2,0,0]=3 4922 B9R0.48 C=C(C)CSC(C)CCC 62a_100000766640_100000211660 [0,1,0,0,0,0|2,0,0]=3 4923 B9R0.48 C=C(C)CSC(C)CCO 62a_100000748629_100009893172 [0,1,0,0,0,0|3,0,0]=4 4924 B9R0.48 C=C(C)CSC(C)CCO 62a_100009893172_100000211660 [0,1,0,0,0,0|3,0,0]=4 4925 B9R0.48 C=C(C)CSC(C)COC 62a_100000748629_100000765312 [0,1,0,0,0,0|3,0,0]=4 4926 B9R0.48 C=C(C)CSC(C)COC 62a_100000765312_100000211660 [0,1,0,0,0,0|3,0,0]=4 4927 B9R0.48 C=C(F)CNC(C)CCC 2230a_100000741246_100009893438 [0,1,0,0,0,0|2,0,1]=4 4928 B9R0.48 C=C(F)COC(C)CCC 34a_100000764384_100009893438 [0,1,0,0,0,0|2,0,1]=4 4929 B9R0.48 C=C(F)COC(C)CCC 34a_200010262243_100000766640 [0,1,0,0,0,0|2,0,1]=4 4930 B9R0.48 C=C(F)COC(C)CCC 7a_100000764384_100000042424 [0,1,0,0,0,0|2,0,1]=4 4931 B9R0.48 C=C(F)CSC(C)CCC 62a_100000042424_100000766640 [0,1,0,0,0,0|2,0,1]=4 4932 B9R0.48 C=C(F)CSC(C)CCC 62a_100000766640_100000042424 [0,1,0,0,0,0|2,0,1]=4 4933 B9R0.48 C=CCN(C)CCC(=O)C 269982a_100000225617_100000053229 [0,1,0,0,0,0|1,0,2]=4 4934 B9R0.48 CC(=O)CCN(C)CCO 269982a_100000210263_100000053229 [0,1,0,0,0,0|2,0,0]=3 4935 B9R0.48 CC(=O)COC(C)CCO 34a_100000211253_100009893172 [0,1,0,0,0,0|2,0,0]=3 4936 B9R0.48 CC(=O)NCC(=O)CCF 1458a_100000194580_100011217306 [0,1,0,0,0,0|2,0,1]=4 4937 B9R0.48 CC(=O)NCC(=O)CCO 1458a_100000194580_100000211926 [0,1,0,0,0,0|2,0,1]=4 4938 B9R0.48 CC(=O)OCC(=O)CCF 1458a_100000183556_100011217306 [0,1,0,0,0,0|2,0,1]=4 4939 B9R0.48 CC(=O)OCC(=O)CCO 1458a_100000183556_100000211926 [0,1,0,0,0,0|2,0,1]=4 4940 B9R0.48 CC(=O)OCC(=O)CS[13CH3] 62a_100000036994_200025704644 [0,1,0,0,0,0|2,0,1]=4 4941 B9R0.48 CC(=O)OCC(=O)CS[13CH3] 62a_200025704644_100000036994 [0,1,0,0,0,0|2,0,1]=4 4942 B9R0.48 CC(=O)OCC(O)CS[13CH3] 62a_200000139349_200025704644 [0,1,0,0,0,0|2,0,0]=3 4943 B9R0.48 CC(=O)OCC(O)CS[13CH3] 62a_200025704644_200000139349 [0,1,0,0,0,0|2,0,0]=3 4944 B9R0.48 CC(=O)OCN(C)CCO 269982a_100000210263_100000076356 [0,1,0,0,0,0|3,0,0]=4 4945 B9R0.48 CC(=O)SCC(=O)CCF 1458a_100000049016_100011217306 [0,1,0,0,0,0|2,0,1]=4 4946 B9R0.48 CC(=O)SCC(=O)CCO 1458a_100000049016_100000211926 [0,1,0,0,0,0|2,0,1]=4 4947 B9R0.48 CC(=O)SCC(C)CS[13CH3] 62a_200000116872_200025704644 [0,1,0,0,0,0|2,0,0]=3 4948 B9R0.48 CC(=O)SCC(C)CS[13CH3] 62a_200025704644_200000116872 [0,1,0,0,0,0|2,0,0]=3 4949 B9R0.48 CC(CCBr)OCC(=O)N 34a_100012276601_100000187820 [0,1,0,0,0,0|3,0,0]=4 4950 B9R0.48 CC(CCBr)OCC(=O)[O-] 34a_100012276601_100020667443 [0,1,0,0,0,0|3,0,0]=4 4951 B9R0.48 CC(CCO)NCC(=O)N 2230a_100000711301_100009893172 [0,1,0,0,0,0|3,0,0]=4 4952 B9R0.48 CC(CCO)NCC(=O)O 269956a_100016091260_100009893172 [0,1,0,0,0,0|3,0,0]=4 4953 B9R0.48 CC(CCO)SCC(=O)N 62a_100000747473_100009893172 [0,1,0,0,0,0|3,0,0]=4 4954 B9R0.48 CC(CCO)SCC(=O)N 62a_100009893172_100000747473 [0,1,0,0,0,0|3,0,0]=4 4955 B9R0.48 CC(CCO)SCC(=O)[O-] 62a_100009893172_100020667443 [0,1,0,0,0,0|3,0,0]=4 4956 B9R0.48 CC(CCO)SCC(=O)[O-] 62a_100020667443_100009893172 [0,1,0,0,0,0|3,0,0]=4 4957 B9R0.48 CCCC(=NNC(=O)C)C 4a_100000189765_100000211909 [0,1,0,0,0,0|2,0,1]=4 4958 B9R0.48 CCCC(=O)CC=C(C)C 1458a_100000211992_100000761012 [0,1,0,0,0,0|1,0,2]=4 4959 B9R0.48 CCCC(=O)CC=C(C)C 1458a_100011220947_100000210303 [0,1,0,0,0,0|1,0,2]=4 4960 B9R0.48 CCCC(=O)CCC(=O)N 1458a_100011215257_100000210303 [0,1,0,0,0,0|1,0,1]=3 4961 B9R0.48 CCCC(=O)CCC(C)C 1458a_100000181311_100000210303 [0,1,0,0,0,0|1,0,2]=4 4962 B9R0.48 CCCC(=O)CCC(C)C 1458a_100000211992_100000210312 [0,1,0,0,0,0|1,0,2]=4 4963 B9R0.48 CCCC(=O)CCC(C)O 1458a_100000211992_100012276601 [0,1,0,0,0,0|0,0,3]=4 4964 B9R0.48 CCCC(=O)CC[N+](=O)[O-] 1458a_200000064761_100000210303 [0,1,0,0,0,0|2,0,1]=4 4965 B9R0.48 CCCC(=O)CC[S+](C)C 1458a_100009452791_100000210303 [0,1,0,0,0,0|2,0,1]=4 4966 B9R0.48 CCCC(=O)CNC(=O)C 1458a_100000194580_100000210303 [0,1,0,0,0,0|1,0,1]=3 4967 B9R0.48 CCCC(=O)CNC(=O)N 1458a_100000184981_100000210303 [0,1,0,0,0,0|2,0,1]=4 4968 B9R0.48 CCCC(=O)COC(=O)C 1458a_100000183556_100000210303 [0,1,0,0,0,0|1,0,1]=3 4969 B9R0.48 CCCC(=O)CSC(=O)C 1458a_100000049016_100000210303 [0,1,0,0,0,0|1,0,1]=3 4970 B9R0.48 CCCC(=O)NCC(=O)N 11a_100000711301_100000211992 [0,1,0,0,0,0|2,0,1]=4 4971 B9R0.48 CCCC(=O)NCC(=O)N 240690a_100000711301_100000211992 [0,1,0,0,0,0|2,0,1]=4 4972 B9R0.48 CCCC(=O)NCC(=O)N 527a_100000711301_100000211992 [0,1,0,0,0,0|2,0,1]=4 4973 B9R0.48 CCCC(=O)NNC(=O)C 22a_100000189765_100000211992 [0,1,0,0,0,0|2,0,1]=4 4974 B9R0.48 CCCC(=O)NNC(=O)C 22a_100000189770_100000070787 [0,1,0,0,0,0|2,0,1]=4 4975 B9R0.48 CCCC(=O)OCC(=O)C 1458a_100000070787_100000034017 [0,1,0,0,0,0|1,0,1]=3 4976 B9R0.48 CCCC(C)CNC(C)C 2230a_100138425928_100011216630 [0,1,0,0,0,0|2,0,1]=4 4977 B9R0.48 CCCC(C)CNC(C)C 34a_100138425928_100011216630 [0,1,0,0,0,0|2,0,1]=4 4978 B9R0.48 CCCC(C)COC(C)C 34a_100000212225_100011216630 [0,1,0,0,0,0|2,0,1]=4 4979 B9R0.48 CCCC(C)COC(C)C 34a_100000688023_100000210206 [0,1,0,0,0,0|2,0,1]=4 4980 B9R0.48 CCCC(C)COC(C)C 7a_100000688023_100000210206 [0,1,0,0,0,0|2,0,1]=4 4981 B9R0.48 CCCC(C)CSC(C)C 62a_100000210206_100011216630 [0,1,0,0,0,0|2,0,1]=4 4982 B9R0.48 CCCC(C)CSC(C)C 62a_100011216630_100000210206 [0,1,0,0,0,0|2,0,1]=4 4983 B9R0.48 CCCC(C)NCC(=O)N 2230a_100000711301_100000766640 [0,1,0,0,0,0|2,0,0]=3 4984 B9R0.48 CCCC(C)NCC(=O)N 2230a_100000741246_100000747473 [0,1,0,0,0,0|2,0,0]=3 4985 B9R0.48 CCCC(C)NCC(=O)O 269956a_100016091260_100000766640 [0,1,0,0,0,0|2,0,0]=3 4986 B9R0.48 CCCC(C)NCC(C)C 2230a_100000210953_100000766640 [0,1,0,0,0,0|2,0,1]=4 4987 B9R0.48 CCCC(C)NCC(C)C 2230a_100000741246_100000210760 [0,1,0,0,0,0|2,0,1]=4 4988 B9R0.48 CCCC(C)NCC(C)C 270004a_100000210953_100000211909 [0,1,0,0,0,0|2,0,1]=4 4989 B9R0.48 CCCC(C)NCC(C)C 270004a_100000741246_100000210432 [0,1,0,0,0,0|2,0,1]=4 4990 B9R0.48 CCCC(C)NCC(C)C 34a_100000210953_100000766640 [0,1,0,0,0,0|2,0,1]=4 4991 B9R0.48 CCCC(C)NCC(C)O 2230a_100000210904_100000766640 [0,1,0,0,0,0|1,0,2]=4 4992 B9R0.48 CCCC(C)NCC(C)O 2230a_100000741246_100011218427 [0,1,0,0,0,0|1,0,2]=4 4993 B9R0.48 CCCC(C)NCC(C)O 270004a_100000210904_100000211909 [0,1,0,0,0,0|1,0,2]=4 4994 B9R0.48 CCCC(C)NCC(C)O 34a_100000210904_100000766640 [0,1,0,0,0,0|1,0,2]=4 4995 B9R0.48 CCCC(C)NC[C@@H](C)O 2230a_100000741246_100009817552 [0,1,0,0,0,0|1,0,2]=4 4996 B9R0.48 CCCC(C)OCC(=O)C 34a_100000211253_100000766640 [0,1,0,0,0,0|1,0,0]=2 4997 B9R0.48 CCCC(C)OCC(=O)N 34a_100000764384_100000187820 [0,1,0,0,0,0|2,0,0]=3 4998 B9R0.48 CCCC(C)OCC(=O)N 7a_100000764384_100000187820 [0,1,0,0,0,0|2,0,0]=3 4999 B9R0.48 CCCC(C)OCC(=O)[O-] 34a_100000764384_100020667443 [0,1,0,0,0,0|2,0,0]=3 5000 B9R0.48 CCCC(C)OCC(C)Br 34a_100012180447_100000766640 [0,1,0,0,0,0|2,0,1]=4 5001 B9R0.48 CCCC(C)OCC(C)C 34a_100000210257_100000766640 [0,1,0,0,0,0|2,0,1]=4 5002 B9R0.48 CCCC(C)OCC(C)C 34a_100000764384_100000210624 [0,1,0,0,0,0|2,0,1]=4 5003 B9R0.48 CCCC(C)OCC(C)C 7a_100000764384_100000210760 [0,1,0,0,0,0|2,0,1]=4 5004 B9R0.48 CCCC(C)OCC(C)F 34a_100015925927_100000766640 [0,1,0,0,0,0|2,0,1]=4 5005 B9R0.48 CCCC(C)OCC(C)O 34a_100000764384_100011218427 [0,1,0,0,0,0|1,0,2]=4 5006 B9R0.48 CCCC(C)OCC(C)O 7a_100000764384_100011218427 [0,1,0,0,0,0|1,0,2]=4 5007 B9R0.48 CCCC(C)OC[C@@H](C)Cl 34a_100016084084_100000766640 [0,1,0,0,0,0|2,0,1]=4 5008 B9R0.48 CCCC(C)OC[C@@H](C)N 34a_100000737577_100000766640 [0,1,0,0,0,0|2,0,1]=4 5009 B9R0.48 CCCC(C)OC[C@@H](C)O 34a_100000764384_100009817552 [0,1,0,0,0,0|1,0,2]=4 5010 B9R0.48 CCCC(C)OC[C@@H](C)O 7a_100000764384_100009817552 [0,1,0,0,0,0|1,0,2]=4 5011 B9R0.48 CCCC(C)OC[N+](=O)[O-] 34a_100000764384_100000761209 [0,1,0,0,0,0|3,0,0]=4 5012 B9R0.48 CCCC(C)SCC(=O)N 62a_100000747473_100000766640 [0,1,0,0,0,0|2,0,0]=3 5013 B9R0.48 CCCC(C)SCC(=O)N 62a_100000766640_100000747473 [0,1,0,0,0,0|2,0,0]=3 5014 B9R0.48 CCCC(C)SCC(=O)[O-] 62a_100000766640_100020667443 [0,1,0,0,0,0|2,0,0]=3 5015 B9R0.48 CCCC(C)SCC(=O)[O-] 62a_100020667443_100000766640 [0,1,0,0,0,0|2,0,0]=3 5016 B9R0.48 CCCC(C)SCC(C)C 62a_100000210624_100000766640 [0,1,0,0,0,0|2,0,1]=4 5017 B9R0.48 CCCC(C)SCC(C)C 62a_100000766640_100000210760 [0,1,0,0,0,0|2,0,1]=4 5018 B9R0.48 CCCC(C)SCC(C)O 62a_100000766640_100011218427 [0,1,0,0,0,0|1,0,2]=4 5019 B9R0.48 CCCC(C)SCC(C)O 62a_100011218427_100000766640 [0,1,0,0,0,0|1,0,2]=4 5020 B9R0.48 CCCC(C)SC[C@@H](C)O 62a_100000766640_100009817552 [0,1,0,0,0,0|1,0,2]=4 5021 B9R0.48 CCCC(C)SC[C@@H](C)O 62a_100009817552_100000766640 [0,1,0,0,0,0|1,0,2]=4 5022 B9R0.48 CCCC(C)SC[N+](=O)[O-] 62a_100000766640_100000761209 [0,1,0,0,0,0|3,0,0]=4 5023 B9R0.48 CCCN(C)CC=C(C)C 2230a_100000747261_100000761012 [0,1,0,0,0,0|2,0,1]=4 5024 B9R0.48 CCCN(C)CC=C(C)C 269982a_100000747261_100000761012 [0,1,0,0,0,0|2,0,1]=4 5025 B9R0.48 CCCN(C)CCC(=O)C 269982a_100000747261_100000053229 [0,1,0,0,0,0|1,0,0]=2 5026 B9R0.48 CCCN(C)CCC(=O)N 2230a_100000730477_100000210303 [0,1,0,0,0,0|2,0,0]=3 5027 B9R0.48 CCCN(C)CCC(=O)N 2230a_100000747261_100000744528 [0,1,0,0,0,0|2,0,0]=3 5028 B9R0.48 CCCN(C)CCC(=O)N 269982a_100000747261_100000744528 [0,1,0,0,0,0|2,0,0]=3 5029 B9R0.48 CCCN(C)CCC(C)C 2230a_100000742789_100000210303 [0,1,0,0,0,0|2,0,1]=4 5030 B9R0.48 CCCN(C)CCC(C)C 2230a_100000747261_100000210312 [0,1,0,0,0,0|2,0,1]=4 5031 B9R0.48 CCCN(C)CCC(C)C 269982a_100000742789_100000210303 [0,1,0,0,0,0|2,0,1]=4 5032 B9R0.48 CCCN(C)CCC(C)C 269982a_100000747261_100000210312 [0,1,0,0,0,0|2,0,1]=4 5033 B9R0.48 CCCN(C)CCC(C)O 2230a_100000747261_100012276601 [0,1,0,0,0,0|1,0,2]=4 5034 B9R0.48 CCCN(C)CCC(C)O 269982a_100000747261_100012276601 [0,1,0,0,0,0|1,0,2]=4 5035 B9R0.48 CCCN(C)CCN(C)C 2230a_100000226821_200000210301 [0,1,0,0,0,0|3,0,0]=4 5036 B9R0.48 CCCN(C)CCN(C)C 269982a_100000225618_100000210303 [0,1,0,0,0,0|3,0,0]=4 5037 B9R0.48 CCCN(C)CCN(C)C 269982a_100000226821_200000210301 [0,1,0,0,0,0|3,0,0]=4 5038 B9R0.48 CCCN(C)CCN(C)C 269982a_100000747261_100000755713 [0,1,0,0,0,0|3,0,0]=4 5039 B9R0.48 CCCN(C)COC(=O)C 269982a_100000747261_100000076356 [0,1,0,0,0,0|2,0,0]=3 5040 B9R0.48 CCCN([13CH3])CCN(C)C 2230a_100000226821_200025704644 [0,1,0,0,0,0|3,0,0]=4 5041 B9R0.48 CCCN([13CH3])CCN(C)C 269982a_100000226821_200025704644 [0,1,0,0,0,0|3,0,0]=4 5042 B9R0.48 CCC[C@H](N)COC(C)C 34a_100000732646_100000210206 [0,1,0,0,0,0|2,0,1]=4 5043 B9R0.48 CCNC(=O)CCC(=O)C 1458a_100000199579_200000210301 [0,1,0,0,0,0|1,0,1]=3 5044 B9R0.48 CCNC(=O)CCC(=O)N 240690a_100015525214_100011215257 [0,1,0,0,0,0|2,0,1]=4 5045 B9R0.48 CCNC(=O)CCC(=O)N 527a_100015525214_100011215257 [0,1,0,0,0,0|2,0,1]=4 5046 B9R0.48 CCNC(=O)CCC(=O)[13CH3] 1458a_100000199579_200025704644 [0,1,0,0,0,0|1,0,1]=3 5047 B9R0.48 CCNC(=O)CNC(=O)C 11a_100015525214_100000194580 [0,1,0,0,0,0|2,0,1]=4 5048 B9R0.48 CCNC(=O)CNC(=O)C 11a_100016988866_100015343762 [0,1,0,0,0,0|2,0,1]=4 5049 B9R0.48 CCNC(=O)CNC(=O)C 1626a_100016988866_100015343762 [0,1,0,0,0,0|2,0,1]=4 5050 B9R0.48 CCNC(=O)CNC(=O)C 240690a_100015525214_100000194580 [0,1,0,0,0,0|2,0,1]=4 5051 B9R0.48 CCNC(=O)CNC(=O)C 240690a_100016988866_100015343762 [0,1,0,0,0,0|2,0,1]=4 5052 B9R0.48 CCNC(=O)CNC(=O)C 527a_100015525214_100000194580 [0,1,0,0,0,0|2,0,1]=4 5053 B9R0.48 CCNC(=O)CNC(=O)C 527a_100016988866_100103153847 [0,1,0,0,0,0|2,0,1]=4 5054 B9R0.48 CCNC(=O)COC(=O)C 240690a_100015525214_100000183556 [0,1,0,0,0,0|2,0,1]=4 5055 B9R0.48 CCNC(=O)COC(=O)C 527a_100015525214_100000183556 [0,1,0,0,0,0|2,0,1]=4 5056 B9R0.48 CCNC(=O)CSC(=O)C 11a_100015525214_100000049016 [0,1,0,0,0,0|2,0,1]=4 5057 B9R0.48 CCNC(=O)CSC(=O)C 240690a_100015525214_100000049016 [0,1,0,0,0,0|2,0,1]=4 5058 B9R0.48 CCNC(C)CCC(C)C 2230a_100015525214_100011261404 [0,1,0,0,0,0|2,0,1]=4 5059 B9R0.48 CCNC(C)CCC(C)C 2230a_100138410893_100000210202 [0,1,0,0,0,0|2,0,1]=4 5060 B9R0.48 CCNC(C)CCC(C)C 270004a_100015525214_100000210476 [0,1,0,0,0,0|2,0,1]=4 5061 B9R0.48 CCNC(C)COC(=O)C 270004a_100015525214_100000000629 [0,1,0,0,0,0|2,0,0]=3 5062 B9R0.48 CCOC(=O)CCC(=O)C 1458a_100000183558_200000210301 [0,1,0,0,0,0|1,0,1]=3 5063 B9R0.48 CCOC(=O)CCC(=O)[13CH3] 1458a_100000183558_200025704644 [0,1,0,0,0,0|1,0,1]=3 5064 B9R0.48 CCOC(=O)CNC(=O)C 188690a_100000741813_100015343762 [0,1,0,0,0,0|2,0,1]=4 5065 B9R0.48 CCOC(=O)NCC(=O)C 1458a_100000190774_200000210301 [0,1,0,0,0,0|2,0,1]=4 5066 B9R0.48 CCOC(=O)NCC(=O)[13CH3] 1458a_100000190774_200025704644 [0,1,0,0,0,0|2,0,1]=4 5067 B9R0.48 CCOC(C)CCC(C)C 34a_100011215350_100000210202 [0,1,0,0,0,0|2,0,1]=4 5068 B9R0.48 CCOC(C)CCC(C)C 34a_100121572206_100011261404 [0,1,0,0,0,0|2,0,1]=4 5069 B9R0.48 CCOC(C)CCC(C)C 7a_100011215350_100000210202 [0,1,0,0,0,0|2,0,1]=4 5070 B9R0.48 CCSC(C)CCC(C)C 62a_100000210202_100011261404 [0,1,0,0,0,0|2,0,1]=4 5071 B9R0.48 CCSC(C)CCC(C)C 62a_100011261404_100000210202 [0,1,0,0,0,0|2,0,1]=4 5072 B9R0.48 CN(CCF)CCC(=O)N 2230a_100000730477_100011217306 [0,1,0,0,0,0|3,0,0]=4 5073 B9R0.48 CN(CCO)CCC(=O)N 2230a_100000210263_100000744528 [0,1,0,0,0,0|3,0,0]=4 5074 B9R0.48 CN(CCO)CCC(=O)N 2230a_100000730477_100000211926 [0,1,0,0,0,0|3,0,0]=4 5075 B9R0.48 CN(CCO)CCC(=O)N 269982a_100000210263_100000744528 [0,1,0,0,0,0|3,0,0]=4 5076 B9R0.48 CNCC(=O)COC(=O)C 34a_100102657272_100000036994 [0,1,0,0,0,0|2,0,1]=4 5077 B9R0.48 CNCC(C)CSC(=O)C 2230a_106832991635_200000116872 [0,1,0,0,0,0|2,0,0]=3 5078 B9R0.48 CNCC(C)CSC(=O)C 34a_100102657272_200000116872 [0,1,0,0,0,0|2,0,0]=3 5079 B9R0.48 CNCC(C)CSC(=O)C 7a_106832991635_200000116872 [0,1,0,0,0,0|2,0,0]=3 5080 B9R0.48 CNCC(O)COC(=O)C 34a_100102657272_200000139349 [0,1,0,0,0,0|2,0,0]=3 5081 B9R0.48 CNCC(O)COC(=O)C 7a_106832991635_200000139349 [0,1,0,0,0,0|2,0,0]=3 5082 B9R0.48 COCC(=O)COC(=O)C 34a_100138415774_100000036994 [0,1,0,0,0,0|2,0,1]=4 5083 B9R0.48 COCC(C)CSC(=O)C 34a_100138415774_200000116872 [0,1,0,0,0,0|2,0,0]=3 5084 B9R0.48 COCC(C)NCC(=O)N 2230a_100000711301_100000765312 [0,1,0,0,0,0|3,0,0]=4 5085 B9R0.48 COCC(C)NCC(=O)O 269956a_100016091260_100000765312 [0,1,0,0,0,0|3,0,0]=4 5086 B9R0.48 COCC(C)OCC(=O)C 34a_100000211253_100000765312 [0,1,0,0,0,0|2,0,0]=3 5087 B9R0.48 COCC(C)SCC(=O)N 62a_100000747473_100000765312 [0,1,0,0,0,0|3,0,0]=4 5088 B9R0.48 COCC(C)SCC(=O)N 62a_100000765312_100000747473 [0,1,0,0,0,0|3,0,0]=4 5089 B9R0.48 COCC(C)SCC(=O)[O-] 62a_100000765312_100020667443 [0,1,0,0,0,0|3,0,0]=4 5090 B9R0.48 COCC(C)SCC(=O)[O-] 62a_100020667443_100000765312 [0,1,0,0,0,0|3,0,0]=4 5091 B9R0.48 COCC(O)CNC(=O)C 240690a_100000756049_100015343762 [0,1,0,0,0,0|2,0,0]=3 5092 B9R0.48 COCC(O)CNC(=O)C 527a_100000756049_100103153847 [0,1,0,0,0,0|2,0,0]=3 5093 B9R0.48 COCC(O)COC(=O)C 34a_100138415774_200000139349 [0,1,0,0,0,0|2,0,0]=3 5094 B9R0.48 COCN(C)CCC(=O)N 2230a_100000730477_100000766300 [0,1,0,0,0,0|3,0,0]=4 5095 B9R0.48 COC[C@@H](C)NCC(=O)N 2230a_100000764878_100000747473 [0,1,0,0,0,0|3,0,0]=4 5096 B9R0.48 COC[C@@H](C)OCC(=O)N 34a_100011934205_100000187820 [0,1,0,0,0,0|3,0,0]=4 5097 B9R0.48 COC[C@@H](C)OCC(=O)[O-] 34a_100011934205_100020667443 [0,1,0,0,0,0|3,0,0]=4 5098 B9R0.48 CSCC(=O)COC(=O)C 62a_100000036994_200000210301 [0,1,0,0,0,0|2,0,1]=4 5099 B9R0.48 CSCC(=O)COC(=O)C 62a_200000210301_100000036994 [0,1,0,0,0,0|2,0,1]=4 5100 B9R0.48 CSCC(C)CSC(=O)C 62a_200000116872_200000210301 [0,1,0,0,0,0|2,0,0]=3 5101 B9R0.48 CSCC(C)CSC(=O)C 62a_200000210301_200000116872 [0,1,0,0,0,0|2,0,0]=3 5102 B9R0.48 CSCC(O)COC(=O)C 62a_200000139349_200000210301 [0,1,0,0,0,0|2,0,0]=3 5103 B9R0.48 CSCC(O)COC(=O)C 62a_200000210301_200000139349 [0,1,0,0,0,0|2,0,0]=3 5104 B9R0.48 CSCN(C)CCC(=O)N 2230a_100000730477_100011218213 [0,1,0,0,0,0|3,0,0]=4 5105 B9R0.48 C[C@H](CCO)NCC(=O)N 2230a_100000706166_100000747473 [0,1,0,0,0,0|3,0,0]=4 5106 B9R0.48 C[C@H](CCO)NCC(=O)N 34a_100000706166_100000187820 [0,1,0,0,0,0|3,0,0]=4 5107 B9R0.48 C[C@H](CCO)NCC(=O)[O-] 34a_100000706166_100020667443 [0,1,0,0,0,0|3,0,0]=4 5108 B9R0.48 NC(=O)CCC(=O)CCF 1458a_100011215257_100011217306 [0,1,0,0,0,0|2,0,1]=4 5109 B9R0.48 NC(=O)CCC(=O)CCO 1458a_100011215257_100000211926 [0,1,0,0,0,0|2,0,1]=4 5110 B9R0.55 C=C(Br)CCOCC(C)C 34a_100009813270_100000210624 [0,1,0,0,0,0|2,0,1]=4 5111 B9R0.55 C=C(Br)CCOCC(C)O 34a_100009813270_100011218427 [0,1,0,0,0,0|2,0,1]=4 5112 B9R0.55 C=C(Br)CCOC[C@@H](C)O 34a_100009813270_100009817552 [0,1,0,0,0,0|2,0,1]=4 5113 B9R0.55 C=C(C)CCNCC(=O)N 2230a_100000711301_100000730704 [0,1,0,0,0,0|2,0,1]=4 5114 B9R0.55 C=C(C)CCNCC(=O)O 269956a_100016091260_100000730704 [0,1,0,0,0,0|2,0,1]=4 5115 B9R0.55 C=C(C)CCNCC(C)C 2230a_100000210953_100000730704 [0,1,0,0,0,0|2,0,0]=3 5116 B9R0.55 C=C(C)CCNCC(C)C 34a_100000210953_100000730704 [0,1,0,0,0,0|2,0,0]=3 5117 B9R0.55 C=C(C)CCNCC(C)O 2230a_100000210904_100000730704 [0,1,0,0,0,0|2,0,0]=3 5118 B9R0.55 C=C(C)CCNCC(C)O 34a_100000210904_100000730704 [0,1,0,0,0,0|2,0,0]=3 5119 B9R0.55 C=C(C)CCNCC(F)F 34a_100000765723_100000730704 [0,1,0,0,0,0|3,0,0]=4 5120 B9R0.55 C=C(C)CCOCC(=C)C 34a_100000210245_100000730704 [0,1,0,0,0,0|2,0,1]=4 5121 B9R0.55 C=C(C)CCOCC(=C)C 34a_100000764851_100000748629 [0,1,0,0,0,0|2,0,1]=4 5122 B9R0.55 C=C(C)CCOCC(=O)C 34a_100000211253_100000730704 [0,1,0,0,0,0|1,0,1]=3 5123 B9R0.55 C=C(C)CCOCC(=O)N 34a_100000764851_100000187820 [0,1,0,0,0,0|2,0,1]=4 5124 B9R0.55 C=C(C)CCOCC(=O)[O-] 34a_100000764851_100020667443 [0,1,0,0,0,0|2,0,1]=4 5125 B9R0.55 C=C(C)CCOCC(C)Br 34a_100012180447_100000730704 [0,1,0,0,0,0|2,0,0]=3 5126 B9R0.55 C=C(C)CCOCC(C)C 34a_100000210257_100000730704 [0,1,0,0,0,0|2,0,0]=3 5127 B9R0.55 C=C(C)CCOCC(C)C 34a_100000764851_100000210624 [0,1,0,0,0,0|2,0,0]=3 5128 B9R0.55 C=C(C)CCOCC(C)F 34a_100015925927_100000730704 [0,1,0,0,0,0|2,0,0]=3 5129 B9R0.55 C=C(C)CCOCC(C)O 34a_100000764851_100011218427 [0,1,0,0,0,0|2,0,0]=3 5130 B9R0.55 C=C(C)CCOCC(F)F 34a_100000743014_100000730704 [0,1,0,0,0,0|3,0,0]=4 5131 B9R0.55 C=C(C)CCOCC(F)F 34a_100000764851_100011934356 [0,1,0,0,0,0|3,0,0]=4 5132 B9R0.55 C=C(C)CCOC[C@@H](C)Cl 34a_100016084084_100000730704 [0,1,0,0,0,0|2,0,0]=3 5133 B9R0.55 C=C(C)CCOC[C@@H](C)N 34a_100000737577_100000730704 [0,1,0,0,0,0|2,0,0]=3 5134 B9R0.55 C=C(C)CCOC[C@@H](C)O 34a_100000764851_100009817552 [0,1,0,0,0,0|2,0,0]=3 5135 B9R0.55 C=C(C)CCSCC(=C)C 62a_100000730704_100000211660 [0,1,0,0,0,0|2,0,1]=4 5136 B9R0.55 C=C(C)CCSCC(=C)C 62a_100000748629_100000730704 [0,1,0,0,0,0|2,0,1]=4 5137 B9R0.55 C=C(C)CCSCC(=O)N 62a_100000730704_100000747473 [0,1,0,0,0,0|2,0,1]=4 5138 B9R0.55 C=C(C)CCSCC(=O)N 62a_100000747473_100000730704 [0,1,0,0,0,0|2,0,1]=4 5139 B9R0.55 C=C(C)CCSCC(=O)[O-] 62a_100000730704_100020667443 [0,1,0,0,0,0|2,0,1]=4 5140 B9R0.55 C=C(C)CCSCC(=O)[O-] 62a_100020667443_100000730704 [0,1,0,0,0,0|2,0,1]=4 5141 B9R0.55 C=C(C)CCSCC(C)C 62a_100000210624_100000730704 [0,1,0,0,0,0|2,0,0]=3 5142 B9R0.55 C=C(C)CCSCC(C)C 62a_100000730704_100000210760 [0,1,0,0,0,0|2,0,0]=3 5143 B9R0.55 C=C(C)CCSCC(C)O 62a_100000730704_100011218427 [0,1,0,0,0,0|2,0,0]=3 5144 B9R0.55 C=C(C)CCSCC(C)O 62a_100011218427_100000730704 [0,1,0,0,0,0|2,0,0]=3 5145 B9R0.55 C=C(C)CCSCC(F)F 62a_100000730704_100011934356 [0,1,0,0,0,0|3,0,0]=4 5146 B9R0.55 C=C(C)CCSCC(F)F 62a_100011934356_100000730704 [0,1,0,0,0,0|3,0,0]=4 5147 B9R0.55 C=C(C)CCSC[C@@H](C)O 62a_100000730704_100009817552 [0,1,0,0,0,0|2,0,0]=3 5148 B9R0.55 C=C(C)CCSC[C@@H](C)O 62a_100009817552_100000730704 [0,1,0,0,0,0|2,0,0]=3 5149 B9R0.55 C=C(C)CNCCC(C)O 2230a_200000755665_100000748629 [0,1,0,0,0,0|2,0,0]=3 5150 B9R0.55 C=C(C)COCCC(=O)C 34a_100000759926_100000748629 [0,1,0,0,0,0|1,0,1]=3 5151 B9R0.55 C=C(C)COCCC(=O)C 7a_100000759926_100000748629 [0,1,0,0,0,0|1,0,1]=3 5152 B9R0.55 C=C(C)COCCC(=O)N 34a_100000210245_100000731001 [0,1,0,0,0,0|2,0,1]=4 5153 B9R0.55 C=C(C)COCCC(=O)N 34a_100000757172_100000748629 [0,1,0,0,0,0|2,0,1]=4 5154 B9R0.55 C=C(C)COCCC(=O)N 7a_100000757172_100000748629 [0,1,0,0,0,0|2,0,1]=4 5155 B9R0.55 C=C(C)COCCC(C)Br 34a_100009893172_100000748629 [0,1,0,0,0,0|2,0,0]=3 5156 B9R0.55 C=C(C)COCCC(C)C 34a_100000210245_100000210312 [0,1,0,0,0,0|2,0,0]=3 5157 B9R0.55 C=C(C)COCCC(C)C 34a_100000210254_100000748629 [0,1,0,0,0,0|2,0,0]=3 5158 B9R0.55 C=C(C)COCCC(C)C 7a_100000210254_100000748629 [0,1,0,0,0,0|2,0,0]=3 5159 B9R0.55 C=C(C)COCCC(C)O 34a_100000210245_100012276601 [0,1,0,0,0,0|2,0,0]=3 5160 B9R0.55 C=C(C)COCCC(F)F 34a_100103093639_100000748629 [0,1,0,0,0,0|3,0,0]=4 5161 B9R0.55 C=C(C)COCC[C@@H](C)N 34a_100000706166_100000748629 [0,1,0,0,0,0|2,0,0]=3 5162 B9R0.55 C=C(C)COCOC(=O)C 34a_100000210245_100009813279 [0,1,0,0,0,0|2,0,1]=4 5163 B9R0.55 C=C(C)COCOC(C)C 34a_100000210245_100000709892 [0,1,0,0,0,0|3,0,0]=4 5164 B9R0.55 C=C(C)CSCCC(=O)C 62a_100000053229_100000211660 [0,1,0,0,0,0|1,0,1]=3 5165 B9R0.55 C=C(C)CSCCC(=O)C 62a_100000748629_100000053229 [0,1,0,0,0,0|1,0,1]=3 5166 B9R0.55 C=C(C)CSCCC(=O)N 62a_100000744528_100000211660 [0,1,0,0,0,0|2,0,1]=4 5167 B9R0.55 C=C(C)CSCCC(=O)N 62a_100000748629_100000744528 [0,1,0,0,0,0|2,0,1]=4 5168 B9R0.55 C=C(C)CSCCC(C)C 62a_100000210312_100000211660 [0,1,0,0,0,0|2,0,0]=3 5169 B9R0.55 C=C(C)CSCCC(C)C 62a_100000748629_100000210312 [0,1,0,0,0,0|2,0,0]=3 5170 B9R0.55 C=C(C)CSCCC(C)O 62a_100000748629_100012276601 [0,1,0,0,0,0|2,0,0]=3 5171 B9R0.55 C=C(C)CSCCC(C)O 62a_100012276601_100000211660 [0,1,0,0,0,0|2,0,0]=3 5172 B9R0.55 C=C(C)CSCCN(C)C 62a_100000748629_100000755713 [0,1,0,0,0,0|3,0,0]=4 5173 B9R0.55 C=C(C)CSCOC(=O)C 62a_100000076356_100000211660 [0,1,0,0,0,0|2,0,1]=4 5174 B9R0.55 C=C(C)CSCOC(=O)C 62a_100000748629_100000076356 [0,1,0,0,0,0|2,0,1]=4 5175 B9R0.55 C=C(C)CSCOC(C)C 62a_100000709892_100000211660 [0,1,0,0,0,0|3,0,0]=4 5176 B9R0.55 C=C(C)CSCOC(C)C 62a_100000748629_100000709892 [0,1,0,0,0,0|3,0,0]=4 5177 B9R0.55 C=C(F)CNCCC(C)O 2230a_200000755665_100009893438 [0,1,0,0,0,0|2,0,1]=4 5178 B9R0.55 C=C(F)COCCC(=O)C 34a_100000759926_100009893438 [0,1,0,0,0,0|1,0,2]=4 5179 B9R0.55 C=C(F)COCCC(=O)C 7a_100000759926_100000042424 [0,1,0,0,0,0|1,0,2]=4 5180 B9R0.55 C=C(F)COCCC(C)Br 34a_100009893172_100009893438 [0,1,0,0,0,0|2,0,1]=4 5181 B9R0.55 C=C(F)COCCC(C)C 34a_100000210254_100009893438 [0,1,0,0,0,0|2,0,1]=4 5182 B9R0.55 C=C(F)COCCC(C)C 34a_200010262243_100000210312 [0,1,0,0,0,0|2,0,1]=4 5183 B9R0.55 C=C(F)COCCC(C)C 7a_100000210254_100000042424 [0,1,0,0,0,0|2,0,1]=4 5184 B9R0.55 C=C(F)COCCC(C)O 34a_200010262243_100012276601 [0,1,0,0,0,0|2,0,1]=4 5185 B9R0.55 C=C(F)COCC[C@@H](C)N 34a_100000706166_100009893438 [0,1,0,0,0,0|2,0,1]=4 5186 B9R0.55 C=C(F)CSCCC(=O)C 62a_100000042424_100000053229 [0,1,0,0,0,0|1,0,2]=4 5187 B9R0.55 C=C(F)CSCCC(=O)C 62a_100000053229_100000042424 [0,1,0,0,0,0|1,0,2]=4 5188 B9R0.55 C=C(F)CSCCC(C)C 62a_100000042424_100000210312 [0,1,0,0,0,0|2,0,1]=4 5189 B9R0.55 C=C(F)CSCCC(C)C 62a_100000210312_100000042424 [0,1,0,0,0,0|2,0,1]=4 5190 B9R0.55 C=C(F)CSCCC(C)O 62a_100000042424_100012276601 [0,1,0,0,0,0|2,0,1]=4 5191 B9R0.55 C=C(F)CSCCC(C)O 62a_100012276601_100000042424 [0,1,0,0,0,0|2,0,1]=4 5192 B9R0.55 CC(=CCCNC(C)C)C 2230a_100138425928_100011217483 [0,1,0,0,0,0|2,0,1]=4 5193 B9R0.55 CC(=CCCNC(C)C)C 34a_100138425928_100011217483 [0,1,0,0,0,0|2,0,1]=4 5194 B9R0.55 CC(=CCCOC(C)C)C 34a_100000212225_100011217483 [0,1,0,0,0,0|2,0,1]=4 5195 B9R0.55 CC(=CCCSC(C)C)C 62a_100000210206_100011217483 [0,1,0,0,0,0|2,0,1]=4 5196 B9R0.55 CC(=CCCSC(C)C)C 62a_100011217483_100000210206 [0,1,0,0,0,0|2,0,1]=4 5197 B9R0.55 CC(=CCNCC(C)C)C 2230a_100000210953_100000761012 [0,1,0,0,0,0|2,0,1]=4 5198 B9R0.55 CC(=CCNCC(C)C)C 270004a_100000718196_100000210432 [0,1,0,0,0,0|2,0,1]=4 5199 B9R0.55 CC(=CCNCC(C)C)C 34a_100000210953_100000761012 [0,1,0,0,0,0|2,0,1]=4 5200 B9R0.55 CC(=CCNCC(C)C)C 34a_100000718196_100000210624 [0,1,0,0,0,0|2,0,1]=4 5201 B9R0.55 CC(=CCNCC(C)O)C 2230a_100000210904_100000761012 [0,1,0,0,0,0|2,0,1]=4 5202 B9R0.55 CC(=CCNCC(C)O)C 34a_100000210904_100000761012 [0,1,0,0,0,0|2,0,1]=4 5203 B9R0.55 CC(=CCNCC(C)O)C 34a_100000718196_100011218427 [0,1,0,0,0,0|2,0,1]=4 5204 B9R0.55 CC(=CCNC[C@@H](C)O)C 34a_100000718196_100009817552 [0,1,0,0,0,0|2,0,1]=4 5205 B9R0.55 CC(=CCOCC(C)Br)C 34a_100012180447_100000761012 [0,1,0,0,0,0|2,0,1]=4 5206 B9R0.55 CC(=CCOCC(C)C)C 34a_100000210257_100000761012 [0,1,0,0,0,0|2,0,1]=4 5207 B9R0.55 CC(=CCOCC(C)C)C 34a_100000753907_100000210624 [0,1,0,0,0,0|2,0,1]=4 5208 B9R0.55 CC(=CCOCC(C)F)C 34a_100015925927_100000761012 [0,1,0,0,0,0|2,0,1]=4 5209 B9R0.55 CC(=CCOCC(C)O)C 34a_100000753907_100011218427 [0,1,0,0,0,0|2,0,1]=4 5210 B9R0.55 CC(=CCOC[C@@H](C)Cl)C 34a_100016084084_100000761012 [0,1,0,0,0,0|2,0,1]=4 5211 B9R0.55 CC(=CCOC[C@@H](C)N)C 34a_100000737577_100000761012 [0,1,0,0,0,0|2,0,1]=4 5212 B9R0.55 CC(=CCOC[C@@H](C)O)C 34a_100000753907_100009817552 [0,1,0,0,0,0|2,0,1]=4 5213 B9R0.55 CC(=CCSCC(C)C)C 62a_100000210624_100000761012 [0,1,0,0,0,0|2,0,1]=4 5214 B9R0.55 CC(=CCSCC(C)C)C 62a_100000761012_100000210760 [0,1,0,0,0,0|2,0,1]=4 5215 B9R0.55 CC(=CCSCC(C)O)C 62a_100000761012_100011218427 [0,1,0,0,0,0|2,0,1]=4 5216 B9R0.55 CC(=CCSCC(C)O)C 62a_100011218427_100000761012 [0,1,0,0,0,0|2,0,1]=4 5217 B9R0.55 CC(=CCSC[C@@H](C)O)C 62a_100000761012_100009817552 [0,1,0,0,0,0|2,0,1]=4 5218 B9R0.55 CC(=CCSC[C@@H](C)O)C 62a_100009817552_100000761012 [0,1,0,0,0,0|2,0,1]=4 5219 B9R0.55 CC(=O)CCCCB(O)O 1458a_100000070787_200009817182 [0,1,0,0,0,0|2,0,0]=3 5220 B9R0.55 CC(=O)CCCCC(=O)C 1458a_100000070787_100000735457 [0,1,0,0,0,0|0,0,1]=2 5221 B9R0.55 CC(=O)CCCCC(C)C 1458a_100000070787_100011216152 [0,1,0,0,0,0|0,0,0]=1 5222 B9R0.55 CC(=O)CCCCC(C)C 1458a_100011933920_200000210301 [0,1,0,0,0,0|0,0,0]=1 5223 B9R0.55 CC(=O)CCCCN(C)C 269982a_100102631434_100000735457 [0,1,0,0,0,0|1,0,0]=2 5224 B9R0.55 CC(=O)CCCN=C(N)N 1458a_100000034108_200000210301 [0,1,0,0,0,0|2,0,1]=4 5225 B9R0.55 CC(=O)CCCNC(=O)C 1458a_100000194741_200000210301 [0,1,0,0,0,0|1,0,1]=3 5226 B9R0.55 CC(=O)CCCNC(C)C 34a_100138425928_100000685027 [0,1,0,0,0,0|1,0,0]=2 5227 B9R0.55 CC(=O)CCCOC(=O)C 1458a_100000070787_100000042594 [0,1,0,0,0,0|1,0,1]=3 5228 B9R0.55 CC(=O)CCCOC(=S)C 1458a_100000070787_200135323944 [0,1,0,0,0,0|1,0,1]=3 5229 B9R0.55 CC(=O)CCCOC(C)C 34a_100000212225_100000685027 [0,1,0,0,0,0|1,0,0]=2 5230 B9R0.55 CC(=O)CCCOC(C)C 34a_100000759063_100000210206 [0,1,0,0,0,0|1,0,0]=2 5231 B9R0.55 CC(=O)CCCOC(C)C 7a_100000759063_100000210206 [0,1,0,0,0,0|1,0,0]=2 5232 B9R0.55 CC(=O)CCCSC(=O)C 1458a_100000070787_100000038929 [0,1,0,0,0,0|1,0,1]=3 5233 B9R0.55 CC(=O)CCCSC(C)C 62a_100000210206_100011215641 [0,1,0,0,0,0|1,0,0]=2 5234 B9R0.55 CC(=O)CCCSC(C)C 62a_100011215641_100000210206 [0,1,0,0,0,0|1,0,0]=2 5235 B9R0.55 CC(=O)CCNCC(=O)O 269956a_100016091260_100000053229 [0,1,0,0,0,0|2,0,1]=4 5236 B9R0.55 CC(=O)CCOCC(=O)N 1458a_100000070787_100000076697 [0,1,0,0,0,0|2,0,1]=4 5237 B9R0.55 CC(=O)CCOCC(=O)N 34a_100000759926_100000187820 [0,1,0,0,0,0|2,0,1]=4 5238 B9R0.55 CC(=O)CCOCC(=O)N 7a_100000759926_100000187820 [0,1,0,0,0,0|2,0,1]=4 5239 B9R0.55 CC(=O)CCOCC(=O)[O-] 34a_100000759926_100020667443 [0,1,0,0,0,0|2,0,1]=4 5240 B9R0.55 CC(=O)CCOCC(C)C 34a_100000759926_100000210624 [0,1,0,0,0,0|1,0,0]=2 5241 B9R0.55 CC(=O)CCOCC(C)C 7a_100000759926_100000210760 [0,1,0,0,0,0|1,0,0]=2 5242 B9R0.55 CC(=O)CCOCC(C)O 34a_100000759926_100011218427 [0,1,0,0,0,0|1,0,0]=2 5243 B9R0.55 CC(=O)CCOCC(C)O 7a_100000759926_100011218427 [0,1,0,0,0,0|1,0,0]=2 5244 B9R0.55 CC(=O)CCOCC(F)F 1458a_100000070787_200012177212 [0,1,0,0,0,0|2,0,0]=3 5245 B9R0.55 CC(=O)CCOCC(F)F 34a_100000759926_100011934356 [0,1,0,0,0,0|2,0,0]=3 5246 B9R0.55 CC(=O)CCOCC(F)F 7a_100000759926_100011934356 [0,1,0,0,0,0|2,0,0]=3 5247 B9R0.55 CC(=O)CCOC[C@@H](C)O 34a_100000759926_100009817552 [0,1,0,0,0,0|1,0,0]=2 5248 B9R0.55 CC(=O)CCOC[C@@H](C)O 7a_100000759926_100009817552 [0,1,0,0,0,0|1,0,0]=2 5249 B9R0.55 CC(=O)CCOC[N+](=O)[O-] 34a_100000759926_100000761209 [0,1,0,0,0,0|3,0,0]=4 5250 B9R0.55 CC(=O)CCSCC(=O)N 1458a_100000148550_200000210301 [0,1,0,0,0,0|2,0,1]=4 5251 B9R0.55 CC(=O)CCSCC(=O)N 62a_100000053229_100000747473 [0,1,0,0,0,0|2,0,1]=4 5252 B9R0.55 CC(=O)CCSCC(=O)N 62a_100000747473_100000053229 [0,1,0,0,0,0|2,0,1]=4 5253 B9R0.55 CC(=O)CCSCC(=O)[O-] 62a_100000053229_100020667443 [0,1,0,0,0,0|2,0,1]=4 5254 B9R0.55 CC(=O)CCSCC(=O)[O-] 62a_100020667443_100000053229 [0,1,0,0,0,0|2,0,1]=4 5255 B9R0.55 CC(=O)CCSCC(C)C 62a_100000053229_100000210760 [0,1,0,0,0,0|1,0,0]=2 5256 B9R0.55 CC(=O)CCSCC(C)C 62a_100000210624_100000053229 [0,1,0,0,0,0|1,0,0]=2 5257 B9R0.55 CC(=O)CCSCC(C)O 62a_100000053229_100011218427 [0,1,0,0,0,0|1,0,0]=2 5258 B9R0.55 CC(=O)CCSCC(C)O 62a_100011218427_100000053229 [0,1,0,0,0,0|1,0,0]=2 5259 B9R0.55 CC(=O)CCSCC(F)F 62a_100000053229_100011934356 [0,1,0,0,0,0|2,0,0]=3 5260 B9R0.55 CC(=O)CCSCC(F)F 62a_100011934356_100000053229 [0,1,0,0,0,0|2,0,0]=3 5261 B9R0.55 CC(=O)CCSC[C@@H](C)O 62a_100000053229_100009817552 [0,1,0,0,0,0|1,0,0]=2 5262 B9R0.55 CC(=O)CCSC[C@@H](C)O 62a_100009817552_100000053229 [0,1,0,0,0,0|1,0,0]=2 5263 B9R0.55 CC(=O)CCSC[N+](=O)[O-] 62a_100000053229_100000761209 [0,1,0,0,0,0|3,0,0]=4 5264 B9R0.55 CC(=O)COCC=C(C)C 34a_100000211253_100000761012 [0,1,0,0,0,0|1,0,2]=4 5265 B9R0.55 CC(=O)COCCC(=O)N 34a_100000211253_100000731001 [0,1,0,0,0,0|2,0,1]=4 5266 B9R0.55 CC(=O)COCCC(C)C 34a_100000211253_100000210312 [0,1,0,0,0,0|1,0,0]=2 5267 B9R0.55 CC(=O)COCCC(C)O 34a_100000211253_100012276601 [0,1,0,0,0,0|1,0,0]=2 5268 B9R0.55 CC(=O)COCOC(=O)C 34a_100000211253_100009813279 [0,1,0,0,0,0|2,0,1]=4 5269 B9R0.55 CC(=O)COCOC(C)C 34a_100000211253_100000709892 [0,1,0,0,0,0|2,0,0]=3 5270 B9R0.55 CC(=O)NCCCC(=O)N 240690a_100000739312_100015343762 [0,1,0,0,0,0|2,0,1]=4 5271 B9R0.55 CC(=O)NCCCC(=O)N 527a_100000739312_100103153847 [0,1,0,0,0,0|2,0,1]=4 5272 B9R0.55 CC(=O)NCCCC(=O)[13CH3] 1458a_100000194741_200025704644 [0,1,0,0,0,0|1,0,1]=3 5273 B9R0.55 CC(=O)NCCCC(C)C 11a_200000737386_100015343762 [0,1,0,0,0,0|1,0,0]=2 5274 B9R0.55 CC(=O)NCCCC(C)C 1626a_200000737386_100015343762 [0,1,0,0,0,0|1,0,0]=2 5275 B9R0.55 CC(=O)NCCCC(C)C 240690a_200000737386_100015343762 [0,1,0,0,0,0|1,0,0]=2 5276 B9R0.55 CC(=O)NCCCC(C)C 527a_200000737386_100103153847 [0,1,0,0,0,0|1,0,0]=2 5277 B9R0.55 CC(=O)NCCCN(C)C 240690a_102531767803_100015343762 [0,1,0,0,0,0|2,0,0]=3 5278 B9R0.55 CC(=O)NCCCN(C)C 527a_102531767803_100103153847 [0,1,0,0,0,0|2,0,0]=3 5279 B9R0.55 CC(=O)NCCCS(=O)C 11a_200000753449_100015343762 [0,1,0,0,0,0|2,0,0]=3 5280 B9R0.55 CC(=O)NCCCS(=O)C 240690a_200000753449_100015343762 [0,1,0,0,0,0|2,0,0]=3 5281 B9R0.55 CC(=O)NCCCS(=O)C 527a_200000753449_100103153847 [0,1,0,0,0,0|2,0,0]=3 5282 B9R0.55 CC(=O)NCCNC(=O)C 240690a_100000209853_100015343762 [0,1,0,0,0,0|2,0,1]=4 5283 B9R0.55 CC(=O)NCCNC(=O)C 527a_100000209853_100103153847 [0,1,0,0,0,0|2,0,1]=4 5284 B9R0.55 CC(=O)NCCNC(C)C 2230a_100000209853_100000210206 [0,1,0,0,0,0|2,0,0]=3 5285 B9R0.55 CC(=O)NCCNC(C)C 2230a_100138425928_100000189650 [0,1,0,0,0,0|2,0,0]=3 5286 B9R0.55 CC(=O)NCCOC(=O)C 11a_100000724843_100015343762 [0,1,0,0,0,0|2,0,1]=4 5287 B9R0.55 CC(=O)NCCOC(=O)C 240690a_100000724843_100015343762 [0,1,0,0,0,0|2,0,1]=4 5288 B9R0.55 CC(=O)NCCOC(=O)C 527a_100000724843_100103153847 [0,1,0,0,0,0|2,0,1]=4 5289 B9R0.55 CC(=O)NCCOC(C)C 11a_100000701111_100015343762 [0,1,0,0,0,0|2,0,0]=3 5290 B9R0.55 CC(=O)NCCOC(C)C 1626a_100000701111_100015343762 [0,1,0,0,0,0|2,0,0]=3 5291 B9R0.55 CC(=O)NCCOC(C)C 240690a_100000701111_100015343762 [0,1,0,0,0,0|2,0,0]=3 5292 B9R0.55 CC(=O)NCCOC(C)C 34a_100000158858_100000210206 [0,1,0,0,0,0|2,0,0]=3 5293 B9R0.55 CC(=O)NCCOC(C)C 527a_100000701111_100103153847 [0,1,0,0,0,0|2,0,0]=3 5294 B9R0.55 CC(=O)NCCSC(=O)C 11a_100020647217_100015343762 [0,1,0,0,0,0|2,0,1]=4 5295 B9R0.55 CC(=O)NCCSC(=O)C 240690a_100020647217_100015343762 [0,1,0,0,0,0|2,0,1]=4 5296 B9R0.55 CC(=O)NCCSC(=O)C 527a_100020647217_100103153847 [0,1,0,0,0,0|2,0,1]=4 5297 B9R0.55 CC(=O)NCCSC(C)C 11a_100000731138_100015343762 [0,1,0,0,0,0|2,0,0]=3 5298 B9R0.55 CC(=O)NCCSC(C)C 1626a_100000731138_100015343762 [0,1,0,0,0,0|2,0,0]=3 5299 B9R0.55 CC(=O)NCCSC(C)C 240690a_100000731138_100015343762 [0,1,0,0,0,0|2,0,0]=3 5300 B9R0.55 CC(=O)NCCSC(C)C 527a_100000731138_100103153847 [0,1,0,0,0,0|2,0,0]=3 5301 B9R0.55 CC(=O)NCCSC(C)C 62a_100000189650_100000210206 [0,1,0,0,0,0|2,0,0]=3 5302 B9R0.55 CC(=O)NCCSC(C)C 62a_100000210206_100000189650 [0,1,0,0,0,0|2,0,0]=3 5303 B9R0.55 CC(=O)NN=CCC(C)C 4a_100000189765_100000185833 [0,1,0,0,0,0|2,0,1]=4 5304 B9R0.55 CC(=O)NNCCN(C)C 22a_100000738145_100000070787 [0,1,0,0,0,0|3,0,0]=4 5305 B9R0.55 CC(=O)OCCCN(C)C 269982a_100102631434_100000042594 [0,1,0,0,0,0|2,0,0]=3 5306 B9R0.55 CC(=O)OCCNC(C)C 34a_100138425928_100009814007 [0,1,0,0,0,0|2,0,0]=3 5307 B9R0.55 CC(=O)OCCOC(C)C 34a_100000212225_100009814007 [0,1,0,0,0,0|2,0,0]=3 5308 B9R0.55 CC(=O)OCCSC(C)C 62a_100000210206_100009814007 [0,1,0,0,0,0|2,0,0]=3 5309 B9R0.55 CC(=O)OCCSC(C)C 62a_100009814007_100000210206 [0,1,0,0,0,0|2,0,0]=3 5310 B9R0.55 CC(=O)OCNCC(C)C 34a_100000210953_100009813279 [0,1,0,0,0,0|2,0,0]=3 5311 B9R0.55 CC(=O)OCNCC(C)O 34a_100000210904_100009813279 [0,1,0,0,0,0|2,0,0]=3 5312 B9R0.55 CC(=O)OCNCC(F)F 34a_100000765723_100009813279 [0,1,0,0,0,0|3,0,0]=4 5313 B9R0.55 CC(=O)OCOCC(C)Br 34a_100012180447_100009813279 [0,1,0,0,0,0|2,0,0]=3 5314 B9R0.55 CC(=O)OCOCC(C)C 34a_100000210257_100009813279 [0,1,0,0,0,0|2,0,0]=3 5315 B9R0.55 CC(=O)OCOCC(C)F 34a_100015925927_100009813279 [0,1,0,0,0,0|2,0,0]=3 5316 B9R0.55 CC(=O)OCOCC(F)F 34a_100000743014_100009813279 [0,1,0,0,0,0|3,0,0]=4 5317 B9R0.55 CC(=O)OCOC[C@@H](C)Cl 34a_100016084084_100009813279 [0,1,0,0,0,0|2,0,0]=3 5318 B9R0.55 CC(=O)OCOC[C@@H](C)N 34a_100000737577_100009813279 [0,1,0,0,0,0|2,0,0]=3 5319 B9R0.55 CC(=O)OCSCC(C)C 62a_100000076356_100000210760 [0,1,0,0,0,0|2,0,0]=3 5320 B9R0.55 CC(=O)OCSCC(C)C 62a_100000210624_100000076356 [0,1,0,0,0,0|2,0,0]=3 5321 B9R0.55 CC(=O)OCSCC(C)O 62a_100000076356_100011218427 [0,1,0,0,0,0|2,0,0]=3 5322 B9R0.55 CC(=O)OCSCC(C)O 62a_100011218427_100000076356 [0,1,0,0,0,0|2,0,0]=3 5323 B9R0.55 CC(=O)OCSCC(F)F 62a_100000076356_100011934356 [0,1,0,0,0,0|3,0,0]=4 5324 B9R0.55 CC(=O)OCSCC(F)F 62a_100011934356_100000076356 [0,1,0,0,0,0|3,0,0]=4 5325 B9R0.55 CC(=O)OCSC[C@@H](C)O 62a_100000076356_100009817552 [0,1,0,0,0,0|2,0,0]=3 5326 B9R0.55 CC(=O)OCSC[C@@H](C)O 62a_100009817552_100000076356 [0,1,0,0,0,0|2,0,0]=3 5327 B9R0.55 CC(=O)SCCCN(C)C 2230a_100102631434_100000038929 [0,1,0,0,0,0|2,0,0]=3 5328 B9R0.55 CC(=O)SCCCN(C)C 269982a_100102631434_100000038929 [0,1,0,0,0,0|2,0,0]=3 5329 B9R0.55 CC(=S)OCCCN(C)C 2230a_100102631434_200135323944 [0,1,0,0,0,0|2,1,0]=4 5330 B9R0.55 CC(=S)OCCCN(C)C 269982a_100102631434_200135323944 [0,1,0,0,0,0|2,1,0]=4 5331 B9R0.55 CC(Br)CCOCC(=O)N 34a_100009893172_100000187820 [0,1,0,0,0,0|2,0,0]=3 5332 B9R0.55 CC(Br)CCOCC(=O)[O-] 34a_100009893172_100020667443 [0,1,0,0,0,0|2,0,0]=3 5333 B9R0.55 CC(Br)CCOC[C@@H](C)O 34a_100009893172_100009817552 [0,1,0,0,0,0|1,0,2]=4 5334 B9R0.55 CC(Br)CCOC[N+](=O)[O-] 34a_100009893172_100000761209 [0,1,0,0,0,0|3,0,0]=4 5335 B9R0.55 CC(Br)COCCC(=O)N 34a_100012180447_100000731001 [0,1,0,0,0,0|2,0,0]=3 5336 B9R0.55 CC(C)CCCCC(=O)[13CH3] 1458a_100011933920_200025704644 [0,1,0,0,0,0|0,0,0]=1 5337 B9R0.55 CC(C)CCCCN(C)C 2230a_100102631434_100011216152 [0,1,0,0,0,0|2,0,0]=3 5338 B9R0.55 CC(C)CCCCN(C)C 269982a_100102631434_100011216152 [0,1,0,0,0,0|2,0,0]=3 5339 B9R0.55 CC(C)CCCNC(C)C 2230a_100138425928_100011214892 [0,1,0,0,0,0|2,0,1]=4 5340 B9R0.55 CC(C)CCCNC(C)C 2230a_200000737386_100000210206 [0,1,0,0,0,0|2,0,1]=4 5341 B9R0.55 CC(C)CCCNC(C)C 34a_100138425928_100011214892 [0,1,0,0,0,0|2,0,1]=4 5342 B9R0.55 CC(C)CCCNC(C)C 34a_200000737386_100000210206 [0,1,0,0,0,0|2,0,1]=4 5343 B9R0.55 CC(C)CCCOC(C)C 34a_100000210774_100000210206 [0,1,0,0,0,0|2,0,1]=4 5344 B9R0.55 CC(C)CCCOC(C)C 34a_100000212225_100011214892 [0,1,0,0,0,0|2,0,1]=4 5345 B9R0.55 CC(C)CCCOC(C)C 7a_100000210774_100000210206 [0,1,0,0,0,0|2,0,1]=4 5346 B9R0.55 CC(C)CCCSC(C)C 62a_100000210206_100011214892 [0,1,0,0,0,0|2,0,1]=4 5347 B9R0.55 CC(C)CCCSC(C)C 62a_100011214892_100000210206 [0,1,0,0,0,0|2,0,1]=4 5348 B9R0.55 CC(C)CCNCC(=O)N 2230a_100000711301_100000210312 [0,1,0,0,0,0|2,0,0]=3 5349 B9R0.55 CC(C)CCNCC(=O)O 269956a_100016091260_100000210312 [0,1,0,0,0,0|2,0,0]=3 5350 B9R0.55 CC(C)CCNCC(C)C 2230a_100000210953_100000210312 [0,1,0,0,0,0|2,0,1]=4 5351 B9R0.55 CC(C)CCNCC(C)C 269862a_100000210953_100000185833 [0,1,0,0,0,0|2,0,1]=4 5352 B9R0.55 CC(C)CCNCC(C)C 270004a_100000210545_100000210432 [0,1,0,0,0,0|2,0,1]=4 5353 B9R0.55 CC(C)CCNCC(C)C 34a_100000210953_100000210312 [0,1,0,0,0,0|2,0,1]=4 5354 B9R0.55 CC(C)CCNCC(C)O 2230a_100000210904_100000210312 [0,1,0,0,0,0|1,0,2]=4 5355 B9R0.55 CC(C)CCNCC(C)O 269862a_100000210904_100000185833 [0,1,0,0,0,0|1,0,2]=4 5356 B9R0.55 CC(C)CCNCC(C)O 34a_100000210904_100000210312 [0,1,0,0,0,0|1,0,2]=4 5357 B9R0.55 CC(C)CCOCC(=O)N 34a_100000210254_100000187820 [0,1,0,0,0,0|2,0,0]=3 5358 B9R0.55 CC(C)CCOCC(=O)N 7a_100000210254_100000187820 [0,1,0,0,0,0|2,0,0]=3 5359 B9R0.55 CC(C)CCOCC(=O)[O-] 34a_100000210254_100020667443 [0,1,0,0,0,0|2,0,0]=3 5360 B9R0.55 CC(C)CCOCC(C)Br 34a_100012180447_100000210312 [0,1,0,0,0,0|2,0,1]=4 5361 B9R0.55 CC(C)CCOCC(C)C 34a_100000210254_100000210624 [0,1,0,0,0,0|2,0,1]=4 5362 B9R0.55 CC(C)CCOCC(C)C 34a_100000210257_100000210312 [0,1,0,0,0,0|2,0,1]=4 5363 B9R0.55 CC(C)CCOCC(C)C 7a_100000210254_100000210760 [0,1,0,0,0,0|2,0,1]=4 5364 B9R0.55 CC(C)CCOCC(C)F 34a_100015925927_100000210312 [0,1,0,0,0,0|2,0,1]=4 5365 B9R0.55 CC(C)CCOCC(C)O 34a_100000210254_100011218427 [0,1,0,0,0,0|1,0,2]=4 5366 B9R0.55 CC(C)CCOCC(C)O 7a_100000210254_100011218427 [0,1,0,0,0,0|1,0,2]=4 5367 B9R0.55 CC(C)CCOC[C@@H](C)Cl 34a_100016084084_100000210312 [0,1,0,0,0,0|2,0,1]=4 5368 B9R0.55 CC(C)CCOC[C@@H](C)N 34a_100000737577_100000210312 [0,1,0,0,0,0|2,0,1]=4 5369 B9R0.55 CC(C)CCOC[C@@H](C)O 34a_100000210254_100009817552 [0,1,0,0,0,0|1,0,2]=4 5370 B9R0.55 CC(C)CCOC[C@@H](C)O 7a_100000210254_100009817552 [0,1,0,0,0,0|1,0,2]=4 5371 B9R0.55 CC(C)CCOC[N+](=O)[O-] 34a_100000210254_100000761209 [0,1,0,0,0,0|3,0,0]=4 5372 B9R0.55 CC(C)CCSCC(=O)N 62a_100000210312_100000747473 [0,1,0,0,0,0|2,0,0]=3 5373 B9R0.55 CC(C)CCSCC(=O)N 62a_100000747473_100000210312 [0,1,0,0,0,0|2,0,0]=3 5374 B9R0.55 CC(C)CCSCC(=O)[O-] 62a_100000210312_100020667443 [0,1,0,0,0,0|2,0,0]=3 5375 B9R0.55 CC(C)CCSCC(=O)[O-] 62a_100020667443_100000210312 [0,1,0,0,0,0|2,0,0]=3 5376 B9R0.55 CC(C)CCSCC(C)C 62a_100000210312_100000210760 [0,1,0,0,0,0|2,0,1]=4 5377 B9R0.55 CC(C)CCSCC(C)C 62a_100000210624_100000210312 [0,1,0,0,0,0|2,0,1]=4 5378 B9R0.55 CC(C)CCSCC(C)O 62a_100000210312_100011218427 [0,1,0,0,0,0|1,0,2]=4 5379 B9R0.55 CC(C)CCSCC(C)O 62a_100011218427_100000210312 [0,1,0,0,0,0|1,0,2]=4 5380 B9R0.55 CC(C)CCSC[C@@H](C)O 62a_100000210312_100009817552 [0,1,0,0,0,0|1,0,2]=4 5381 B9R0.55 CC(C)CCSC[C@@H](C)O 62a_100009817552_100000210312 [0,1,0,0,0,0|1,0,2]=4 5382 B9R0.55 CC(C)CCSC[N+](=O)[O-] 62a_100000210312_100000761209 [0,1,0,0,0,0|3,0,0]=4 5383 B9R0.55 CC(C)CNCCC(=O)N 2230a_100000210953_100000744528 [0,1,0,0,0,0|2,0,0]=3 5384 B9R0.55 CC(C)CNCCC(=O)N 34a_100000210953_100000731001 [0,1,0,0,0,0|2,0,0]=3 5385 B9R0.55 CC(C)CNCCC(C)O 2230a_100000210953_100012276601 [0,1,0,0,0,0|1,0,2]=4 5386 B9R0.55 CC(C)CNCCC(C)O 2230a_200000755665_100000210760 [0,1,0,0,0,0|1,0,2]=4 5387 B9R0.55 CC(C)CNCCC(C)O 270004a_200000755665_100000210432 [0,1,0,0,0,0|1,0,2]=4 5388 B9R0.55 CC(C)CNCCC(C)O 34a_100000210953_100012276601 [0,1,0,0,0,0|1,0,2]=4 5389 B9R0.55 CC(C)CNCCN(C)C 270004a_100000210585_100000210432 [0,1,0,0,0,0|3,0,0]=4 5390 B9R0.55 CC(C)CNOCC(=O)O 269956a_100000106656_100000210760 [0,1,0,0,0,0|3,0,0]=4 5391 B9R0.55 CC(C)COCCC(=O)N 34a_100000210257_100000731001 [0,1,0,0,0,0|2,0,0]=3 5392 B9R0.55 CC(C)COCCC(=O)N 34a_100000757172_100000210624 [0,1,0,0,0,0|2,0,0]=3 5393 B9R0.55 CC(C)COCCC(=O)N 7a_100000757172_100000210760 [0,1,0,0,0,0|2,0,0]=3 5394 B9R0.55 CC(C)COCCC(C)Br 34a_100009893172_100000210624 [0,1,0,0,0,0|2,0,1]=4 5395 B9R0.55 CC(C)COCCC(C)O 34a_100000210257_100012276601 [0,1,0,0,0,0|1,0,2]=4 5396 B9R0.55 CC(C)COCC[C@@H](C)N 34a_100000706166_100000210624 [0,1,0,0,0,0|2,0,1]=4 5397 B9R0.55 CC(C)CSCCC(=O)N 62a_100000210624_100000744528 [0,1,0,0,0,0|2,0,0]=3 5398 B9R0.55 CC(C)CSCCC(=O)N 62a_100000744528_100000210760 [0,1,0,0,0,0|2,0,0]=3 5399 B9R0.55 CC(C)CSCCC(C)O 62a_100000210624_100012276601 [0,1,0,0,0,0|1,0,2]=4 5400 B9R0.55 CC(C)CSCCC(C)O 62a_100012276601_100000210760 [0,1,0,0,0,0|1,0,2]=4 5401 B9R0.55 CC(C)CSCCN(C)C 62a_100000210624_100000755713 [0,1,0,0,0,0|3,0,0]=4 5402 B9R0.55 CC(C)NCCCC(=O)N 34a_100000739312_100000210206 [0,1,0,0,0,0|2,0,0]=3 5403 B9R0.55 CC(C)NCCCC(=O)N 34a_100138425928_100102525003 [0,1,0,0,0,0|2,0,0]=3 5404 B9R0.55 CC(C)NCCCS(=O)C 2230a_200000753449_100000210206 [0,1,0,0,0,0|2,0,0]=3 5405 B9R0.55 CC(C)NCCNC(=O)N 2230a_100138425928_200000034859 [0,1,0,0,0,0|3,0,0]=4 5406 B9R0.55 CC(C)NCCNC(=O)N 34a_100020590234_100000210206 [0,1,0,0,0,0|3,0,0]=4 5407 B9R0.55 CC(C)NCCOC(=O)N 34a_100138425928_200011214921 [0,1,0,0,0,0|3,0,0]=4 5408 B9R0.55 CC(C)OCCCC(=O)N 34a_100000212225_100102525003 [0,1,0,0,0,0|2,0,0]=3 5409 B9R0.55 CC(C)OCCC[N+](=O)[O-] 34a_200000037920_100000210206 [0,1,0,0,0,0|3,0,0]=4 5410 B9R0.55 CC(C)OCCNC(=O)N 34a_100000181757_100000210206 [0,1,0,0,0,0|3,0,0]=4 5411 B9R0.55 CC(C)OCCOC(=O)N 34a_100000212225_200011214921 [0,1,0,0,0,0|3,0,0]=4 5412 B9R0.55 CC(C)OCCOC(=O)N 7a_100000766696_100000210206 [0,1,0,0,0,0|3,0,0]=4 5413 B9R0.55 CC(C)OCNCC(=O)N 2230a_100000711301_100000709892 [0,1,0,0,0,0|3,0,0]=4 5414 B9R0.55 CC(C)OCNCC(=O)O 269956a_100016091260_100000709892 [0,1,0,0,0,0|3,0,0]=4 5415 B9R0.55 CC(C)OCSCC(=O)N 62a_100000709892_100000747473 [0,1,0,0,0,0|3,0,0]=4 5416 B9R0.55 CC(C)OCSCC(=O)N 62a_100000747473_100000709892 [0,1,0,0,0,0|3,0,0]=4 5417 B9R0.55 CC(C)OCSCC(=O)[O-] 62a_100000709892_100020667443 [0,1,0,0,0,0|3,0,0]=4 5418 B9R0.55 CC(C)OCSCC(=O)[O-] 62a_100020667443_100000709892 [0,1,0,0,0,0|3,0,0]=4 5419 B9R0.55 CC(C)SCCCC(=O)N 62a_100000210206_100102525003 [0,1,0,0,0,0|2,0,0]=3 5420 B9R0.55 CC(C)SCCCC(=O)N 62a_100102525003_100000210206 [0,1,0,0,0,0|2,0,0]=3 5421 B9R0.55 CC(C)SCCCN(C)C 62a_100000210206_100000757444 [0,1,0,0,0,0|3,0,0]=4 5422 B9R0.55 CC(C)SCCNC(=O)N 62a_100000210206_200000034859 [0,1,0,0,0,0|3,0,0]=4 5423 B9R0.55 CC(C)SCCNC(=O)N 62a_200000034859_100000210206 [0,1,0,0,0,0|3,0,0]=4 5424 B9R0.55 CC(C)SCCOC(=O)N 62a_100000210206_200011214921 [0,1,0,0,0,0|3,0,0]=4 5425 B9R0.55 CC(C)SCCOC(=O)N 62a_200011214921_100000210206 [0,1,0,0,0,0|3,0,0]=4 5426 B9R0.55 CC(F)COCCC(=O)N 34a_100015925927_100000731001 [0,1,0,0,0,0|2,0,0]=3 5427 B9R0.55 CC(O)CCCNC(C)C 2230a_100138425928_200000718107 [0,1,0,0,0,0|1,0,2]=4 5428 B9R0.55 CC(O)CCCNC(C)C 34a_100138425928_200000718107 [0,1,0,0,0,0|1,0,2]=4 5429 B9R0.55 CC(O)CCCOC(C)C 34a_100000212225_200000718107 [0,1,0,0,0,0|1,0,2]=4 5430 B9R0.55 CC(O)CCCSC(C)C 62a_100000210206_200000718107 [0,1,0,0,0,0|1,0,2]=4 5431 B9R0.55 CC(O)CCCSC(C)C 62a_200000718107_100000210206 [0,1,0,0,0,0|1,0,2]=4 5432 B9R0.55 CC(O)CCNCC(=O)N 2230a_100000711301_100012276601 [0,1,0,0,0,0|2,0,0]=3 5433 B9R0.55 CC(O)CCNCC(=O)N 2230a_200000755665_100000747473 [0,1,0,0,0,0|2,0,0]=3 5434 B9R0.55 CC(O)CCNCC(=O)O 269956a_100016091260_100012276601 [0,1,0,0,0,0|2,0,0]=3 5435 B9R0.55 CC(O)CCNCC(C)O 2230a_100000210904_100012276601 [0,1,0,0,0,0|1,0,2]=4 5436 B9R0.55 CC(O)CCNCC(C)O 2230a_200000755665_100011218427 [0,1,0,0,0,0|1,0,2]=4 5437 B9R0.55 CC(O)CCNCC(C)O 34a_100000210904_100012276601 [0,1,0,0,0,0|1,0,2]=4 5438 B9R0.55 CC(O)CCNC[C@@H](C)O 2230a_200000755665_100009817552 [0,1,0,0,0,0|1,0,2]=4 5439 B9R0.55 CC(O)CCOCC(C)Br 34a_100012180447_100012276601 [0,1,0,0,0,0|1,0,2]=4 5440 B9R0.55 CC(O)CCOCC(C)F 34a_100015925927_100012276601 [0,1,0,0,0,0|1,0,2]=4 5441 B9R0.55 CC(O)CCOC[C@@H](C)Cl 34a_100016084084_100012276601 [0,1,0,0,0,0|1,0,2]=4 5442 B9R0.55 CC(O)CCOC[C@@H](C)N 34a_100000737577_100012276601 [0,1,0,0,0,0|1,0,2]=4 5443 B9R0.55 CC(O)CCSCC(=O)N 62a_100000747473_100012276601 [0,1,0,0,0,0|2,0,0]=3 5444 B9R0.55 CC(O)CCSCC(=O)N 62a_100012276601_100000747473 [0,1,0,0,0,0|2,0,0]=3 5445 B9R0.55 CC(O)CCSCC(=O)[O-] 62a_100012276601_100020667443 [0,1,0,0,0,0|2,0,0]=3 5446 B9R0.55 CC(O)CCSCC(=O)[O-] 62a_100020667443_100012276601 [0,1,0,0,0,0|2,0,0]=3 5447 B9R0.55 CC(O)CCSCC(C)O 62a_100011218427_100012276601 [0,1,0,0,0,0|1,0,2]=4 5448 B9R0.55 CC(O)CCSCC(C)O 62a_100012276601_100011218427 [0,1,0,0,0,0|1,0,2]=4 5449 B9R0.55 CC(O)CCSC[C@@H](C)O 62a_100009817552_100012276601 [0,1,0,0,0,0|1,0,2]=4 5450 B9R0.55 CC(O)CCSC[C@@H](C)O 62a_100012276601_100009817552 [0,1,0,0,0,0|1,0,2]=4 5451 B9R0.55 CC(O)CCSC[N+](=O)[O-] 62a_100012276601_100000761209 [0,1,0,0,0,0|3,0,0]=4 5452 B9R0.55 CC(O)CNCCC(=O)N 2230a_100000210904_100000744528 [0,1,0,0,0,0|2,0,0]=3 5453 B9R0.55 CC(O)CNCCC(=O)N 34a_100000210904_100000731001 [0,1,0,0,0,0|2,0,0]=3 5454 B9R0.55 CC(O)CNOCC(=O)O 269956a_100000106656_100011218427 [0,1,0,0,0,0|3,0,0]=4 5455 B9R0.55 CC(O)COCCC(=O)N 34a_100000757172_100011218427 [0,1,0,0,0,0|2,0,0]=3 5456 B9R0.55 CC(O)COCCC(=O)N 7a_100000757172_100011218427 [0,1,0,0,0,0|2,0,0]=3 5457 B9R0.55 CC(O)COCCC(C)Br 34a_100009893172_100011218427 [0,1,0,0,0,0|1,0,2]=4 5458 B9R0.55 CC(O)COCC[C@@H](C)N 34a_100000706166_100011218427 [0,1,0,0,0,0|1,0,2]=4 5459 B9R0.55 CC(O)CSCCC(=O)N 62a_100000744528_100011218427 [0,1,0,0,0,0|2,0,0]=3 5460 B9R0.55 CC(O)CSCCC(=O)N 62a_100011218427_100000744528 [0,1,0,0,0,0|2,0,0]=3 5461 B9R0.55 CC(O)CSCCN(C)C 62a_100011218427_100000755713 [0,1,0,0,0,0|3,0,0]=4 5462 B9R0.55 CN(C)CCCCN(C)C 269982a_100102631434_100000690147 [0,1,0,0,0,0|3,0,0]=4 5463 B9R0.55 CN(C)CCNCC(=O)O 269956a_100016091260_100000755713 [0,1,0,0,0,0|3,0,0]=4 5464 B9R0.55 CN(C)CCOCC(=O)N 2230a_100102631434_100000076697 [0,1,0,0,0,0|3,0,0]=4 5465 B9R0.55 CN(C)CCOCC(=O)N 269982a_100102631434_100000076697 [0,1,0,0,0,0|3,0,0]=4 5466 B9R0.55 CN(C)CCSCC(=O)N 62a_100000747473_100000755713 [0,1,0,0,0,0|3,0,0]=4 5467 B9R0.55 CN(C)CCSCC(=O)[O-] 62a_100020667443_100000755713 [0,1,0,0,0,0|3,0,0]=4 5468 B9R0.55 C[C@@H](Cl)COCCC(=O)N 34a_100016084084_100000731001 [0,1,0,0,0,0|2,0,0]=3 5469 B9R0.55 C[C@@H](N)CCOCC(=O)N 34a_100000706166_100000187820 [0,1,0,0,0,0|2,0,0]=3 5470 B9R0.55 C[C@@H](N)CCOCC(=O)[O-] 34a_100000706166_100020667443 [0,1,0,0,0,0|2,0,0]=3 5471 B9R0.55 C[C@@H](N)CCOC[C@@H](C)O 34a_100000706166_100009817552 [0,1,0,0,0,0|1,0,2]=4 5472 B9R0.55 C[C@@H](N)CCOC[N+](=O)[O-] 34a_100000706166_100000761209 [0,1,0,0,0,0|3,0,0]=4 5473 B9R0.55 C[C@@H](N)COCCC(=O)N 34a_100000737577_100000731001 [0,1,0,0,0,0|2,0,0]=3 5474 B9R0.55 C[C@@H](O)CNOCC(=O)O 269956a_100000106656_100009817552 [0,1,0,0,0,0|3,0,0]=4 5475 B9R0.55 C[C@@H](O)COCCC(=O)N 34a_100000757172_100009817552 [0,1,0,0,0,0|2,0,0]=3 5476 B9R0.55 C[C@@H](O)COCCC(=O)N 7a_100000757172_100009817552 [0,1,0,0,0,0|2,0,0]=3 5477 B9R0.55 C[C@@H](O)CSCCC(=O)N 62a_100000744528_100009817552 [0,1,0,0,0,0|2,0,0]=3 5478 B9R0.55 C[C@@H](O)CSCCC(=O)N 62a_100009817552_100000744528 [0,1,0,0,0,0|2,0,0]=3 5479 B9R0.55 C[C@@H](O)CSCCN(C)C 62a_100009817552_100000755713 [0,1,0,0,0,0|3,0,0]=4 5480 B9R0.55 NC(=O)CCNCC(F)F 34a_100000765723_100000731001 [0,1,0,0,0,0|3,0,0]=4 5481 B9R0.55 NC(=O)CCOCC(F)F 34a_100000743014_100000731001 [0,1,0,0,0,0|3,0,0]=4 5482 B9R0.55 NC(=O)CCOCC(F)F 34a_100000757172_100011934356 [0,1,0,0,0,0|3,0,0]=4 5483 B9R0.55 NC(=O)CCOCC(F)F 7a_100000757172_100011934356 [0,1,0,0,0,0|3,0,0]=4 5484 B9R0.55 NC(=O)CCSCC(F)F 62a_100000744528_100011934356 [0,1,0,0,0,0|3,0,0]=4 5485 B9R0.55 NC(=O)CCSCC(F)F 62a_100011934356_100000744528 [0,1,0,0,0,0|3,0,0]=4 5486 B9R0.55 NC(=O)COCCC(F)F 34a_100103093639_100000187820 [0,1,0,0,0,0|3,0,0]=4 5487 B9R0.55 O=C([O-])COCCC(F)F 34a_100103093639_100020667443 [0,1,0,0,0,0|3,0,0]=4 5488 B9R0.55 [13CH3]C(=O)CCCN=C(N)N 1458a_100000034108_200025704644 [0,1,0,0,0,0|2,0,1]=4 5489 B9R0.55 [13CH3]C(=O)CCSCC(=O)N 1458a_100000148550_200025704644 [0,1,0,0,0,0|2,0,1]=4 5490 B9R1.2 CC1=CC(CCC1)O[13CH3] 34a_100011218613_200025704644 [0,0,0,1,0,0|2,0,0]=3 5491 B9R1.2 CC1CCCC(C1)N[13CH3] 2230a_100011194320_200025704644 [0,0,0,1,0,0|2,0,1]=4 5492 B9R1.2 CC1CCCC(C1)N[13CH3] 34a_100011194320_200025704644 [0,0,0,1,0,0|2,0,1]=4 5493 B9R1.2 CC1CCCC(C1)O[13CH3] 34a_100000211399_200025704644 [0,0,0,1,0,0|2,0,1]=4 5494 B9R1.2 CCC1CN(CCO1)C 2230a_100000736320_200000210301 [0,0,0,1,0,0|3,0,0]=4 5495 B9R1.2 CCC1CN(CCO1)C 269982a_100000736320_200000210301 [0,0,0,1,0,0|3,0,0]=4 5496 B9R1.2 CCC1CN(CCO1)C 34a_100000736320_200000210301 [0,0,0,1,0,0|3,0,0]=4 5497 B9R1.2 CCC1CN(CCO1)[13CH3] 2230a_100000736320_200025704644 [0,0,0,1,0,0|3,0,0]=4 5498 B9R1.2 CCC1CN(CCO1)[13CH3] 269982a_100000736320_200025704644 [0,0,0,1,0,0|3,0,0]=4 5499 B9R1.2 CCC1CN(CCO1)[13CH3] 34a_100000736320_200025704644 [0,0,0,1,0,0|3,0,0]=4 5500 B9R1.2 CCN1CCC=C(C1)C 2230a_100000725631_100000210202 [0,0,0,1,0,0|2,0,1]=4 5501 B9R1.2 CCN1CCC=C(C1)C 269982a_100000725631_100000204670 [0,0,0,1,0,0|2,0,1]=4 5502 B9R1.2 CCN1CCC=C(C1)C 34a_100000725631_100000210202 [0,0,0,1,0,0|2,0,1]=4 5503 B9R1.2 CCN1CCCC(C1)F 2230a_100000697950_100000210202 [0,0,0,1,0,0|2,0,1]=4 5504 B9R1.2 CCN1CCCC(C1)F 269982a_100000697950_100000204670 [0,0,0,1,0,0|2,0,1]=4 5505 B9R1.2 CCN1CCCC(C1)F 34a_100000697950_100000210202 [0,0,0,1,0,0|2,0,1]=4 5506 B9R1.2 CCN1CCCC(C1)O 2230a_100000211013_100000210202 [0,0,0,1,0,0|1,0,2]=4 5507 B9R1.2 CCN1CCCC(C1)O 269982a_100000211013_100000204670 [0,0,0,1,0,0|1,0,2]=4 5508 B9R1.2 CCN1CCC[C@@H](C1)C 2230a_100000717927_100000210202 [0,0,0,1,0,0|2,0,1]=4 5509 B9R1.2 CCN1CCC[C@@H](C1)C 269982a_100000717927_100000204670 [0,0,0,1,0,0|2,0,1]=4 5510 B9R1.2 CCN1CCC[C@@H](C1)C 34a_100000717927_100000210202 [0,0,0,1,0,0|2,0,1]=4 5511 B9R1.2 CCN1CCNC(=O)C1 2230a_100000184651_100000210202 [0,0,0,1,0,0|2,0,0]=3 5512 B9R1.2 CCN1CCOC(=O)C1 2230a_100000131268_100000210202 [0,0,0,1,0,0|2,0,0]=3 5513 B9R1.2 CN1CCCC(C1)CF 2230a_100016992999_200000210301 [0,0,0,1,0,0|3,0,0]=4 5514 B9R1.2 CN1CCCC(C1)CF 269982a_100016992999_200000210301 [0,0,0,1,0,0|3,0,0]=4 5515 B9R1.2 CN1CCCC(C1)CF 34a_100016992999_200000210301 [0,0,0,1,0,0|3,0,0]=4 5516 B9R1.2 CN1CCCC(C1)CO 2230a_100000211344_200000210301 [0,0,0,1,0,0|3,0,0]=4 5517 B9R1.2 CN1CCCC(C1)CO 269982a_100000211344_200000210301 [0,0,0,1,0,0|3,0,0]=4 5518 B9R1.2 CN1CCCC(C1)CO 34a_100000211344_200000210301 [0,0,0,1,0,0|3,0,0]=4 5519 B9R1.2 CNC1CCCC(C1)C 2230a_100011194320_200000210301 [0,0,0,1,0,0|2,0,1]=4 5520 B9R1.2 CNC1CCCC(C1)C 270004a_106832991635_100000183594 [0,0,0,1,0,0|2,0,1]=4 5521 B9R1.2 CNC1CCCC(C1)C 34a_100011194320_200000210301 [0,0,0,1,0,0|2,0,1]=4 5522 B9R1.2 CNC1CCCC(C1)O 2230a_100015190357_200000210301 [0,0,0,1,0,0|1,0,2]=4 5523 B9R1.2 CNC1CCCC(C1)O 270004a_106832991635_100012613340 [0,0,0,1,0,0|1,0,2]=4 5524 B9R1.2 CNC1CCNC(=O)C1 2230a_100016994916_200000210301 [0,0,0,1,0,0|2,0,0]=3 5525 B9R1.2 CNC1CCNC(=O)C1 34a_100016994916_200000210301 [0,0,0,1,0,0|2,0,0]=3 5526 B9R1.2 COC1C=C(CCC1)C 34a_100011218613_200000210301 [0,0,0,1,0,0|2,0,0]=3 5527 B9R1.2 COC1CCCC(=O)C1 34a_100012613340_200000210301 [0,0,0,1,0,0|1,0,0]=2 5528 B9R1.2 COC1CCCC(C1)C 34a_100000211399_200000210301 [0,0,0,1,0,0|2,0,1]=4 5529 B9R1.2 COC1CCCN(C1)C 2230a_100000695604_200000210301 [0,0,0,1,0,0|3,0,0]=4 5530 B9R1.2 COC1CCCN(C1)C 269982a_100000695604_200000210301 [0,0,0,1,0,0|3,0,0]=4 5531 B9R1.2 COC1CCCN(C1)C 34a_100000695604_200000210301 [0,0,0,1,0,0|3,0,0]=4 5532 B9R1.2 COC1CCCN(C1)[13CH3] 2230a_100000695604_200025704644 [0,0,0,1,0,0|3,0,0]=4 5533 B9R1.2 COC1CCCN(C1)[13CH3] 269982a_100000695604_200025704644 [0,0,0,1,0,0|3,0,0]=4 5534 B9R1.2 COC1CCCN(C1)[13CH3] 34a_100000695604_200025704644 [0,0,0,1,0,0|3,0,0]=4 5535 B9R1.2 CO[C@@H]1CCNC(=O)C1 34a_100015189427_200000210301 [0,0,0,1,0,0|2,0,0]=3 5536 B9R1.2 [13CH3]N1CCCC(C1)CF 2230a_100016992999_200025704644 [0,0,0,1,0,0|3,0,0]=4 5537 B9R1.2 [13CH3]N1CCCC(C1)CF 269982a_100016992999_200025704644 [0,0,0,1,0,0|3,0,0]=4 5538 B9R1.2 [13CH3]N1CCCC(C1)CF 34a_100016992999_200025704644 [0,0,0,1,0,0|3,0,0]=4 5539 B9R1.2 [13CH3]N1CCCC(C1)CO 2230a_100000211344_200025704644 [0,0,0,1,0,0|3,0,0]=4 5540 B9R1.2 [13CH3]N1CCCC(C1)CO 269982a_100000211344_200025704644 [0,0,0,1,0,0|3,0,0]=4 5541 B9R1.2 [13CH3]N1CCCC(C1)CO 34a_100000211344_200025704644 [0,0,0,1,0,0|3,0,0]=4 5542 B9R1.2 [13CH3]NC1CCCC(C1)O 2230a_100015190357_200025704644 [0,0,0,1,0,0|1,0,2]=4 5543 B9R1.2 [13CH3]NC1CCNC(=O)C1 2230a_100016994916_200025704644 [0,0,0,1,0,0|2,0,0]=3 5544 B9R1.2 [13CH3]NC1CCNC(=O)C1 34a_100016994916_200025704644 [0,0,0,1,0,0|2,0,0]=3 5545 B9R1.2 [13CH3]OC1CCCC(=O)C1 34a_100012613340_200025704644 [0,0,0,1,0,0|1,0,0]=2 5546 B9R1.2 [13CH3]O[C@@H]1CCNC(=O)C1 34a_100015189427_200025704644 [0,0,0,1,0,0|2,0,0]=3 5547 B9R1.6 CC(=O)C1=CCCCC1 1458a_100000765259_200000210301 [0,0,0,1,0,0|0,0,2]=3 5548 B9R1.6 CC(=O)C1=CCCCO1 1458a_100000764163_200000210301 [0,0,0,1,0,0|1,0,2]=4 5549 B9R1.6 CC(=O)C1=COCCC1 1458a_100000749935_200000210301 [0,0,0,1,0,0|1,0,2]=4 5550 B9R1.6 CC(=O)C1C=CCCC1 1458a_100000070787_100000751183 [0,0,0,1,0,0|0,0,2]=3 5551 B9R1.6 CC(=O)C1CCCCC1 1458a_100000070787_100000210327 [0,0,0,1,0,0|0,0,0]=1 5552 B9R1.6 CC(=O)C1CCCCC1 1458a_100000210647_200000210301 [0,0,0,1,0,0|0,0,0]=1 5553 B9R1.6 CC(=O)C1CCCCO1 1458a_100000748299_200000210301 [0,0,0,1,0,0|1,0,0]=2 5554 B9R1.6 CC(=O)C1CCCOC1 1458a_100000070787_100000693364 [0,0,0,1,0,0|1,0,0]=2 5555 B9R1.6 CC(=O)C1CCCOC1 1458a_100000741522_200000210301 [0,0,0,1,0,0|1,0,0]=2 5556 B9R1.6 CC(=O)C1CCOCC1 1458a_100000070787_100011324220 [0,0,0,1,0,0|1,0,0]=2 5557 B9R1.6 CC(=O)C1CCOCC1 1458a_100000195482_200000210301 [0,0,0,1,0,0|1,0,0]=2 5558 B9R1.6 CC(=O)C1CCSCC1 1458a_100000755232_200000210301 [0,0,0,1,0,0|1,0,0]=2 5559 B9R1.6 CC(=O)C1COCCO1 1458a_100000045528_200000210301 [0,0,0,1,0,0|2,0,0]=3 5560 B9R1.6 CC(=O)C1SCCCS1 1458a_100000028545_200000210301 [0,0,0,1,0,0|2,0,0]=3 5561 B9R1.6 CC(=O)N1CC=CCC1 11a_100000698166_100015343762 [0,0,0,1,0,0|1,0,2]=4 5562 B9R1.6 CC(=O)N1CC=CCC1 1626a_100000698166_100015343762 [0,0,0,1,0,0|1,0,2]=4 5563 B9R1.6 CC(=O)N1CC=CCC1 240690a_100000698166_100015343762 [0,0,0,1,0,0|1,0,2]=4 5564 B9R1.6 CC(=O)N1CC=CCC1 527a_100000698166_100103153847 [0,0,0,1,0,0|1,0,2]=4 5565 B9R1.6 CC(=O)N1CCCOC1 11a_100000131196_100015343762 [0,0,0,1,0,0|2,0,0]=3 5566 B9R1.6 CC(=O)N1CCCOC1 240690a_100000131196_100015343762 [0,0,0,1,0,0|2,0,0]=3 5567 B9R1.6 CC(=O)N1CCOCC1 11a_100015191051_100015343762 [0,0,0,1,0,0|2,0,0]=3 5568 B9R1.6 CC(=O)N1CCOCC1 1626a_100015191051_100015343762 [0,0,0,1,0,0|2,0,0]=3 5569 B9R1.6 CC(=O)N1CCOCC1 240690a_100015191051_100015343762 [0,0,0,1,0,0|2,0,0]=3 5570 B9R1.6 CC(=O)N1CCOCC1 527a_100015191051_100103153847 [0,0,0,1,0,0|2,0,0]=3 5571 B9R1.6 CC(=O)N1CCSCC1 11a_100000737611_100015343762 [0,0,0,1,0,0|2,0,0]=3 5572 B9R1.6 CC(=O)N1CCSCC1 240690a_100000737611_100015343762 [0,0,0,1,0,0|2,0,0]=3 5573 B9R1.6 CC(=O)N1CCSCC1 527a_100000737611_100103153847 [0,0,0,1,0,0|2,0,0]=3 5574 B9R1.6 CC(=O)[C@H]1CC=CCC1 1458a_100009820709_200000210301 [0,0,0,1,0,0|0,0,2]=3 5575 B9R1.6 CN(C)C1CCCCC1 2230a_100000207522_200000210301 [0,0,0,1,0,0|2,0,0]=3 5576 B9R1.6 CN(C)C1CCCCC1 269982a_100000207522_200000210301 [0,0,0,1,0,0|2,0,0]=3 5577 B9R1.6 CN(C)C1CCCCC1 269982a_100102631434_100000210327 [0,0,0,1,0,0|2,0,0]=3 5578 B9R1.6 CN(C)C1CCCCC1 270004a_100102631434_100000210434 [0,0,0,1,0,0|2,0,0]=3 5579 B9R1.6 CN(C)C1CCCCC1 34a_100000207522_200000210301 [0,0,0,1,0,0|2,0,0]=3 5580 B9R1.6 CN(C)C1CCCOC1 269982a_100102631434_100000693364 [0,0,0,1,0,0|3,0,0]=4 5581 B9R1.6 CN(C)C1CCCOC1 270004a_100102631434_100000753404 [0,0,0,1,0,0|3,0,0]=4 5582 B9R1.6 CN(C)C1CCCSC1 270004a_100102631434_100000057913 [0,0,0,1,0,0|3,0,0]=4 5583 B9R1.6 CN(C)C1CCNCC1 270004a_100102631434_100015192401 [0,0,0,1,0,0|3,0,0]=4 5584 B9R1.6 CN(C)C1CCOCC1 2230a_100020587155_200000210301 [0,0,0,1,0,0|3,0,0]=4 5585 B9R1.6 CN(C)C1CCOCC1 269982a_100020587155_200000210301 [0,0,0,1,0,0|3,0,0]=4 5586 B9R1.6 CN(C)C1CCOCC1 269982a_100102631434_100011324220 [0,0,0,1,0,0|3,0,0]=4 5587 B9R1.6 CN(C)C1CCOCC1 270004a_100102631434_100011217826 [0,0,0,1,0,0|3,0,0]=4 5588 B9R1.6 CN(C)C1CCOCC1 34a_100020587155_200000210301 [0,0,0,1,0,0|3,0,0]=4 5589 B9R1.6 CN(C)C1CCSCC1 2230a_100015184757_200000210301 [0,0,0,1,0,0|3,0,0]=4 5590 B9R1.6 CN(C)C1CCSCC1 269982a_100015184757_200000210301 [0,0,0,1,0,0|3,0,0]=4 5591 B9R1.6 CN(C)C1CCSCC1 269982a_100102631434_100000069128 [0,0,0,1,0,0|3,0,0]=4 5592 B9R1.6 CN(C)C1CCSCC1 270004a_100102631434_100000203788 [0,0,0,1,0,0|3,0,0]=4 5593 B9R1.6 CN(C)C1CCSCC1 34a_100015184757_200000210301 [0,0,0,1,0,0|3,0,0]=4 5594 B9R1.6 CN([13CH3])C1CCCCC1 2230a_100000207522_200025704644 [0,0,0,1,0,0|2,0,0]=3 5595 B9R1.6 CN([13CH3])C1CCCCC1 269982a_100000207522_200025704644 [0,0,0,1,0,0|2,0,0]=3 5596 B9R1.6 CN([13CH3])C1CCCCC1 34a_100000207522_200025704644 [0,0,0,1,0,0|2,0,0]=3 5597 B9R1.6 CN([13CH3])C1CCOCC1 2230a_100020587155_200025704644 [0,0,0,1,0,0|3,0,0]=4 5598 B9R1.6 CN([13CH3])C1CCOCC1 269982a_100020587155_200025704644 [0,0,0,1,0,0|3,0,0]=4 5599 B9R1.6 CN([13CH3])C1CCOCC1 34a_100020587155_200025704644 [0,0,0,1,0,0|3,0,0]=4 5600 B9R1.6 CN([13CH3])C1CCSCC1 2230a_100015184757_200025704644 [0,0,0,1,0,0|3,0,0]=4 5601 B9R1.6 CN([13CH3])C1CCSCC1 269982a_100015184757_200025704644 [0,0,0,1,0,0|3,0,0]=4 5602 B9R1.6 CN([13CH3])C1CCSCC1 34a_100015184757_200025704644 [0,0,0,1,0,0|3,0,0]=4 5603 B9R1.6 [13CH3]C(=O)C1=CCCCC1 1458a_100000765259_200025704644 [0,0,0,1,0,0|0,0,2]=3 5604 B9R1.6 [13CH3]C(=O)C1=CCCCO1 1458a_100000764163_200025704644 [0,0,0,1,0,0|1,0,2]=4 5605 B9R1.6 [13CH3]C(=O)C1=COCCC1 1458a_100000749935_200025704644 [0,0,0,1,0,0|1,0,2]=4 5606 B9R1.6 [13CH3]C(=O)C1CCCCC1 1458a_100000210647_200025704644 [0,0,0,1,0,0|0,0,0]=1 5607 B9R1.6 [13CH3]C(=O)C1CCCCO1 1458a_100000748299_200025704644 [0,0,0,1,0,0|1,0,0]=2 5608 B9R1.6 [13CH3]C(=O)C1CCCOC1 1458a_100000741522_200025704644 [0,0,0,1,0,0|1,0,0]=2 5609 B9R1.6 [13CH3]C(=O)C1CCOCC1 1458a_100000195482_200025704644 [0,0,0,1,0,0|1,0,0]=2 5610 B9R1.6 [13CH3]C(=O)C1CCSCC1 1458a_100000755232_200025704644 [0,0,0,1,0,0|1,0,0]=2 5611 B9R1.6 [13CH3]C(=O)C1COCCO1 1458a_100000045528_200025704644 [0,0,0,1,0,0|2,0,0]=3 5612 B9R1.6 [13CH3]C(=O)C1SCCCS1 1458a_100000028545_200025704644 [0,0,0,1,0,0|2,0,0]=3 5613 B9R1.6 [13CH3]C(=O)[C@H]1CC=CCC1 1458a_100009820709_200025704644 [0,0,0,1,0,0|0,0,2]=3 5614 B9R1.7 CCCN1CCC(C1)O 2230a_100011215560_100000210303 [0,0,0,1,0,0|1,0,2]=4 5615 B9R1.7 CCCN1CCC(C1)O 269982a_100011215560_100000210303 [0,0,0,1,0,0|1,0,2]=4 5616 B9R1.7 CCCN1CC[C@@H](C1)F 2230a_100015203821_100000210303 [0,0,0,1,0,0|2,0,1]=4 5617 B9R1.7 CCCN1CC[C@@H](C1)F 269982a_100015203821_100000210303 [0,0,0,1,0,0|2,0,1]=4 5618 B9R1.7 CCCN1CC[C@@H](C1)F 34a_100015203821_100000210303 [0,0,0,1,0,0|2,0,1]=4 5619 B9R1.7 CCCN1CC[C@H](C1)C 2230a_100016987628_100000210303 [0,0,0,1,0,0|2,0,1]=4 5620 B9R1.7 CCCN1CC[C@H](C1)C 269982a_100016987628_100000210303 [0,0,0,1,0,0|2,0,1]=4 5621 B9R1.7 CCCN1CC[C@H](C1)C 34a_100016987628_100000210303 [0,0,0,1,0,0|2,0,1]=4 5622 B9R1.7 CCCN1CNC(=O)C1 2230a_200000708111_100000210303 [0,0,0,1,0,0|2,0,0]=3 5623 B9R1.7 CCNC1CCC(C1)C 270004a_100015525214_100011215218 [0,0,0,1,0,0|2,0,1]=4 5624 B9R1.7 CCNC1CCC(C1)O 270004a_100015525214_100012614533 [0,0,0,1,0,0|1,0,2]=4 5625 B9R1.7 CCNC1CNC(=O)C1 2230a_100000697751_100000210202 [0,0,0,1,0,0|2,0,0]=3 5626 B9R1.7 CCN[C@H]1CC[C@H](C1)O 2230a_100015195300_100000210202 [0,0,0,1,0,0|1,0,2]=4 5627 B9R1.7 CCOC1CCC(=O)C1 34a_100012614533_100000210202 [0,0,0,1,0,0|1,0,0]=2 5628 B9R1.7 CCOC1CCC(C1)C 34a_100000698185_100000210202 [0,0,0,1,0,0|2,0,1]=4 5629 B9R1.7 CCOC1CNC(=O)C1 34a_100000690082_100000210202 [0,0,0,1,0,0|2,0,0]=3 5630 B9R1.7 CCOC1COC(=O)O1 34a_100121572206_100000032252 [0,0,0,1,0,0|3,0,0]=4 5631 B9R1.7 CCO[C@H]1CCN(C1)C 2230a_100011787710_200000210301 [0,0,0,1,0,0|3,0,0]=4 5632 B9R1.7 CCO[C@H]1CCN(C1)C 269982a_100011787710_200000210301 [0,0,0,1,0,0|3,0,0]=4 5633 B9R1.7 CCO[C@H]1CCN(C1)C 34a_100011787710_200000210301 [0,0,0,1,0,0|3,0,0]=4 5634 B9R1.7 CCO[C@H]1CCN(C1)[13CH3] 2230a_100011787710_200025704644 [0,0,0,1,0,0|3,0,0]=4 5635 B9R1.7 CCO[C@H]1CCN(C1)[13CH3] 269982a_100011787710_200025704644 [0,0,0,1,0,0|3,0,0]=4 5636 B9R1.7 CCO[C@H]1CCN(C1)[13CH3] 34a_100011787710_200025704644 [0,0,0,1,0,0|3,0,0]=4 5637 B9R1.7 CCSC1CCN(C1)C 62a_100000210202_200012183744 [0,0,0,1,0,0|3,0,0]=4 5638 B9R1.7 CCSC1COC(=O)O1 62a_100000210202_100000032252 [0,0,0,1,0,0|3,0,0]=4 5639 B9R1.7 CN1CCC(C1)CCO 2230a_100016987287_200000210301 [0,0,0,1,0,0|3,0,0]=4 5640 B9R1.7 CN1CCC(C1)CCO 269982a_100016987287_200000210301 [0,0,0,1,0,0|3,0,0]=4 5641 B9R1.7 CN1CCC(C1)CCO 34a_100016987287_200000210301 [0,0,0,1,0,0|3,0,0]=4 5642 B9R1.7 CN1CCC(C1)CS[13CH3] 62a_200000690779_200025704644 [0,0,0,1,0,0|3,0,0]=4 5643 B9R1.7 CN1CCC(C1)CS[13CH3] 62a_200025704644_200000690779 [0,0,0,1,0,0|3,0,0]=4 5644 B9R1.7 CNCC1CCN(C1)C 34a_100102657272_200000690779 [0,0,0,1,0,0|3,0,0]=4 5645 B9R1.7 CNCC1CCN(C1)C 7a_106832991635_200000690779 [0,0,0,1,0,0|3,0,0]=4 5646 B9R1.7 CNCC1CNC(=O)C1 2230a_100016993742_200000210301 [0,0,0,1,0,0|2,0,0]=3 5647 B9R1.7 CNCC1CNC(=O)C1 34a_100016993742_200000210301 [0,0,0,1,0,0|2,0,0]=3 5648 B9R1.7 CNCC1CNC(=O)O1 2230a_106832991635_100000181169 [0,0,0,1,0,0|3,0,0]=4 5649 B9R1.7 CNCC1CNC(=O)O1 34a_100102657272_100000181169 [0,0,0,1,0,0|3,0,0]=4 5650 B9R1.7 CNCC1CNC(=O)O1 7a_106832991635_100000181169 [0,0,0,1,0,0|3,0,0]=4 5651 B9R1.7 CNCC1COC(=O)O1 34a_100102657272_100000073702 [0,0,0,1,0,0|3,0,0]=4 5652 B9R1.7 CNC[C@@H]1CCC(=O)N1 2230a_106832991635_100015189358 [0,0,0,1,0,0|2,0,0]=3 5653 B9R1.7 CNC[C@@H]1CCC(=O)N1 7a_106832991635_100015189358 [0,0,0,1,0,0|2,0,0]=3 5654 B9R1.7 CNC[C@H]1CCC(=O)N1 2230a_100015423886_200000210301 [0,0,0,1,0,0|2,0,0]=3 5655 B9R1.7 CNC[C@H]1CCC(=O)N1 34a_100015423886_200000210301 [0,0,0,1,0,0|2,0,0]=3 5656 B9R1.7 CNC[C@H]1COC(=O)N1 2230a_106832991635_100015307671 [0,0,0,1,0,0|3,0,0]=4 5657 B9R1.7 CNC[C@H]1COC(=O)N1 34a_100102657272_100015307671 [0,0,0,1,0,0|3,0,0]=4 5658 B9R1.7 CNC[C@H]1COC(=O)N1 7a_106832991635_100015307671 [0,0,0,1,0,0|3,0,0]=4 5659 B9R1.7 COCC1CCC(=O)N1 34a_100000737831_200000210301 [0,0,0,1,0,0|2,0,0]=3 5660 B9R1.7 COCC1CCN(C1)C 2230a_100025706693_200000210301 [0,0,0,1,0,0|3,0,0]=4 5661 B9R1.7 COCC1CCN(C1)C 269982a_100025706693_200000210301 [0,0,0,1,0,0|3,0,0]=4 5662 B9R1.7 COCC1CCN(C1)C 34a_100025706693_200000210301 [0,0,0,1,0,0|3,0,0]=4 5663 B9R1.7 COCC1CCN(C1)C 34a_100138415774_200000690779 [0,0,0,1,0,0|3,0,0]=4 5664 B9R1.7 COCC1CCN(C1)[13CH3] 2230a_100025706693_200025704644 [0,0,0,1,0,0|3,0,0]=4 5665 B9R1.7 COCC1CCN(C1)[13CH3] 269982a_100025706693_200025704644 [0,0,0,1,0,0|3,0,0]=4 5666 B9R1.7 COCC1CCN(C1)[13CH3] 34a_100025706693_200025704644 [0,0,0,1,0,0|3,0,0]=4 5667 B9R1.7 COCC1CNC(=O)C1 34a_100016041077_200000210301 [0,0,0,1,0,0|2,0,0]=3 5668 B9R1.7 COCC1CNC(=O)O1 34a_100011315639_200000210301 [0,0,0,1,0,0|3,0,0]=4 5669 B9R1.7 COCC1CNC(=O)O1 34a_100138415774_100000181169 [0,0,0,1,0,0|3,0,0]=4 5670 B9R1.7 COCC1COC(=O)O1 34a_100138415774_100000073702 [0,0,0,1,0,0|3,0,0]=4 5671 B9R1.7 COCN1CNC(=O)C1 2230a_200000708111_100000766300 [0,0,0,1,0,0|3,0,0]=4 5672 B9R1.7 COC[C@H]1COC(=O)N1 34a_100138415774_100015307671 [0,0,0,1,0,0|3,0,0]=4 5673 B9R1.7 CSCC1CCN(C1)C 62a_200000210301_200000690779 [0,0,0,1,0,0|3,0,0]=4 5674 B9R1.7 CSCC1CCN(C1)C 62a_200000690779_200000210301 [0,0,0,1,0,0|3,0,0]=4 5675 B9R1.7 CSCC1CNC(=O)O1 62a_100000181169_200000210301 [0,0,0,1,0,0|3,0,0]=4 5676 B9R1.7 CSCC1CNC(=O)O1 62a_200000210301_100000181169 [0,0,0,1,0,0|3,0,0]=4 5677 B9R1.7 CSCC1COC(=O)O1 62a_100000073702_200000210301 [0,0,0,1,0,0|3,0,0]=4 5678 B9R1.7 CSCC1COC(=O)O1 62a_200000210301_100000073702 [0,0,0,1,0,0|3,0,0]=4 5679 B9R1.7 CSCN1CNC(=O)C1 2230a_200000708111_100011218213 [0,0,0,1,0,0|3,0,0]=4 5680 B9R1.7 CSC[C@@H]1CCC(=O)N1 62a_100015189358_200000210301 [0,0,0,1,0,0|2,0,0]=3 5681 B9R1.7 CSC[C@@H]1CCC(=O)N1 62a_200000210301_100015189358 [0,0,0,1,0,0|2,0,0]=3 5682 B9R1.7 CSC[C@H]1COC(=O)N1 62a_100015307671_200000210301 [0,0,0,1,0,0|3,0,0]=4 5683 B9R1.7 CSC[C@H]1COC(=O)N1 62a_200000210301_100015307671 [0,0,0,1,0,0|3,0,0]=4 5684 B9R1.7 O=C1CC(CN1)OCF 34a_100000690082_100015361967 [0,0,0,1,0,0|3,0,0]=4 5685 B9R1.7 O=C1CCC(C1)OCF 34a_100012614533_100015361967 [0,0,0,1,0,0|2,0,0]=3 5686 B9R1.7 O=C1CN(CN1)CCF 2230a_200000708111_100011217306 [0,0,0,1,0,0|3,0,0]=4 5687 B9R1.7 O=C1CN(CN1)CCO 2230a_200000708111_100000211926 [0,0,0,1,0,0|3,0,0]=4 5688 B9R1.7 [13CH3]N1CCC(C1)CCO 2230a_100016987287_200025704644 [0,0,0,1,0,0|3,0,0]=4 5689 B9R1.7 [13CH3]N1CCC(C1)CCO 269982a_100016987287_200025704644 [0,0,0,1,0,0|3,0,0]=4 5690 B9R1.7 [13CH3]N1CCC(C1)CCO 34a_100016987287_200025704644 [0,0,0,1,0,0|3,0,0]=4 5691 B9R1.7 [13CH3]NCC1CNC(=O)C1 2230a_100016993742_200025704644 [0,0,0,1,0,0|2,0,0]=3 5692 B9R1.7 [13CH3]NCC1CNC(=O)C1 34a_100016993742_200025704644 [0,0,0,1,0,0|2,0,0]=3 5693 B9R1.7 [13CH3]NC[C@H]1CCC(=O)N1 2230a_100015423886_200025704644 [0,0,0,1,0,0|2,0,0]=3 5694 B9R1.7 [13CH3]NC[C@H]1CCC(=O)N1 34a_100015423886_200025704644 [0,0,0,1,0,0|2,0,0]=3 5695 B9R1.7 [13CH3]OCC1CCC(=O)N1 34a_100000737831_200025704644 [0,0,0,1,0,0|2,0,0]=3 5696 B9R1.7 [13CH3]OCC1CNC(=O)C1 34a_100016041077_200025704644 [0,0,0,1,0,0|2,0,0]=3 5697 B9R1.7 [13CH3]OCC1CNC(=O)O1 34a_100011315639_200025704644 [0,0,0,1,0,0|3,0,0]=4 5698 B9R1.7 [13CH3]SCC1CNC(=O)O1 62a_100000181169_200025704644 [0,0,0,1,0,0|3,0,0]=4 5699 B9R1.7 [13CH3]SCC1CNC(=O)O1 62a_200025704644_100000181169 [0,0,0,1,0,0|3,0,0]=4 5700 B9R1.7 [13CH3]SCC1COC(=O)O1 62a_100000073702_200025704644 [0,0,0,1,0,0|3,0,0]=4 5701 B9R1.7 [13CH3]SCC1COC(=O)O1 62a_200025704644_100000073702 [0,0,0,1,0,0|3,0,0]=4 5702 B9R1.7 [13CH3]SC[C@@H]1CCC(=O)N1 62a_100015189358_200025704644 [0,0,0,1,0,0|2,0,0]=3 5703 B9R1.7 [13CH3]SC[C@@H]1CCC(=O)N1 62a_200025704644_100015189358 [0,0,0,1,0,0|2,0,0]=3 5704 B9R1.7 [13CH3]SC[C@H]1COC(=O)N1 62a_100015307671_200025704644 [0,0,0,1,0,0|3,0,0]=4 5705 B9R1.7 [13CH3]SC[C@H]1COC(=O)N1 62a_200025704644_100015307671 [0,0,0,1,0,0|3,0,0]=4 5706 B9R1.9 C=C1CC(C1)CNCC 2230a_100102567296_100000210202 [0,0,0,1,0,0|2,0,0]=3 5707 B9R1.9 C=C1CC(C1)CNCC 34a_100102567296_100000210202 [0,0,0,1,0,0|2,0,0]=3 5708 B9R1.9 C=C1CC(C1)CNCF 34a_100102567296_100015361967 [0,0,0,1,0,0|3,0,0]=4 5709 B9R1.9 C=C1CC(C1)COCC 34a_100011011225_100000210202 [0,0,0,1,0,0|2,0,0]=3 5710 B9R1.9 C=C1CC(C1)COCF 34a_100011011225_100015361967 [0,0,0,1,0,0|3,0,0]=4 5711 B9R1.9 C=C1CC(C1)NCCC 2230a_100132301982_100000210303 [0,0,0,1,0,0|2,0,0]=3 5712 B9R1.9 C=C1CC(C1)NCCF 2230a_100132301982_100011217306 [0,0,0,1,0,0|3,0,0]=4 5713 B9R1.9 C=C1CC(C1)NCCO 2230a_100132301982_100000211926 [0,0,0,1,0,0|3,0,0]=4 5714 B9R1.9 C=C1CC(C1)NCOC 2230a_100132301982_100000766300 [0,0,0,1,0,0|3,0,0]=4 5715 B9R1.9 C=C1CC(C1)NCSC 2230a_100132301982_100011218213 [0,0,0,1,0,0|3,0,0]=4 5716 B9R1.9 C=CCSC1CC(=O)C1 62a_100009894365_100000210623 [0,0,0,1,0,0|1,0,2]=4 5717 B9R1.9 CCCCN1CC(C1)C 2230a_100000702820_100000210211 [0,0,0,1,0,0|2,0,1]=4 5718 B9R1.9 CCCCN1CC(C1)C 269982a_100000702820_100000210211 [0,0,0,1,0,0|2,0,1]=4 5719 B9R1.9 CCCCN1CC(C1)C 34a_100000702820_100000210210 [0,0,0,1,0,0|2,0,1]=4 5720 B9R1.9 CCCCN1CC(C1)F 2230a_100000690557_100000210211 [0,0,0,1,0,0|2,0,1]=4 5721 B9R1.9 CCCCN1CC(C1)F 269982a_100000690557_100000210211 [0,0,0,1,0,0|2,0,1]=4 5722 B9R1.9 CCCCN1CC(C1)F 34a_100000690557_100000210210 [0,0,0,1,0,0|2,0,1]=4 5723 B9R1.9 CCCCN1CC(C1)O 269982a_100000749847_100000210211 [0,0,0,1,0,0|1,0,2]=4 5724 B9R1.9 CCCNC1CC(C1)F 2230a_100016993743_100000210303 [0,0,0,1,0,0|2,0,1]=4 5725 B9R1.9 CCCN[C@H]1C[C@@H](C1)O 2230a_100020629032_100000210303 [0,0,0,1,0,0|1,0,2]=4 5726 B9R1.9 CCCOC1CN(C1)C 269982a_200020626125_200000210301 [0,0,0,1,0,0|3,0,0]=4 5727 B9R1.9 CCCOC1CN(C1)C 34a_200020626125_200000210301 [0,0,0,1,0,0|3,0,0]=4 5728 B9R1.9 CCCOC1CN(C1)[13CH3] 269982a_200020626125_200025704644 [0,0,0,1,0,0|3,0,0]=4 5729 B9R1.9 CCCOC1CN(C1)[13CH3] 34a_200020626125_200025704644 [0,0,0,1,0,0|3,0,0]=4 5730 B9R1.9 CCCSC1CC(=O)C1 62a_100009894365_100000210303 [0,0,0,1,0,0|1,0,0]=2 5731 B9R1.9 CCNCC1CC(=O)C1 2230a_100015525214_100009874392 [0,0,0,1,0,0|1,0,0]=2 5732 B9R1.9 CCNCC1CC(C1)O 2230a_100016992100_100000210202 [0,0,0,1,0,0|1,0,2]=4 5733 B9R1.9 CCOCC1CC(=O)C1 34a_100000101936_100000210202 [0,0,0,1,0,0|1,0,0]=2 5734 B9R1.9 CCOCC1CC(C1)Cl 34a_100009874164_100000210202 [0,0,0,1,0,0|2,0,1]=4 5735 B9R1.9 CCSCC1CC(=O)C1 62a_100000210202_100009874392 [0,0,0,1,0,0|1,0,0]=2 5736 B9R1.9 CCSCC1CC(=O)C1 62a_100009874392_100000210202 [0,0,0,1,0,0|1,0,0]=2 5737 B9R1.9 COCSC1CC(=O)C1 62a_100009894365_100000766300 [0,0,0,1,0,0|2,0,0]=3 5738 B9R1.9 CSCSC1CC(=O)C1 62a_100009894365_100011218213 [0,0,0,1,0,0|2,0,0]=3 5739 B9R1.9 N#CCSC1CC(=O)C1 62a_100009894365_100011215382 [0,0,0,1,0,0|2,0,1]=4 5740 B9R1.9 O=C1CC(C1)COCF 34a_100000101936_100015361967 [0,0,0,1,0,0|2,0,0]=3 5741 B9R1.9 O=C1CC(C1)CSCF 62a_100009874392_100015361967 [0,0,0,1,0,0|2,0,0]=3 5742 B9R1.9 O=C1CC(C1)CSCF 62a_100015361967_100009874392 [0,0,0,1,0,0|2,0,0]=3 5743 B9R1.9 O=C1CC(C1)SCCF 62a_100009894365_100011217306 [0,0,0,1,0,0|2,0,0]=3 5744 B9R1.9 O=C1CC(C1)SCCO 62a_100009894365_100000211926 [0,0,0,1,0,0|2,0,0]=3 5745 B9R1.9 O=CCSC1CC(=O)C1 62a_100009894365_200015260668 [0,0,0,1,0,0|2,0,1]=4 5746 B9R1.13 C=C(C)CN1CCCC1 2230a_100000188435_100000748629 [0,0,0,1,0,0|2,0,0]=3 5747 B9R1.13 C=C(C)CN1CCCC1 269982a_100000188435_100000748629 [0,0,0,1,0,0|2,0,0]=3 5748 B9R1.13 C=C(C)CN1CCSC1 2230a_100011215254_100000748629 [0,0,0,1,0,0|3,0,0]=4 5749 B9R1.13 C=C(C)CN1CCSC1 269982a_100011215254_100000748629 [0,0,0,1,0,0|3,0,0]=4 5750 B9R1.13 C=C(F)CN1CCCC1 2230a_100000188435_100009893438 [0,0,0,1,0,0|2,0,1]=4 5751 B9R1.13 C=C(F)CN1CCCC1 269982a_100000188435_100009893438 [0,0,0,1,0,0|2,0,1]=4 5752 B9R1.13 CC(=O)C=C1CCCC1 1458a_100000743260_200000210301 [0,0,0,1,0,0|0,0,2]=3 5753 B9R1.13 CC(=O)CC1=CCCC1 1458a_100000050221_200000210301 [0,0,0,1,0,0|0,0,2]=3 5754 B9R1.13 CC(=O)CC1C=CCC1 1458a_100000212241_200000210301 [0,0,0,1,0,0|0,0,2]=3 5755 B9R1.13 CC(=O)CC1CC=CC1 1458a_200000137526_200000210301 [0,0,0,1,0,0|0,0,2]=3 5756 B9R1.13 CC(=O)CC1CCCC1 1458a_100000070787_100000740388 [0,0,0,1,0,0|0,0,0]=1 5757 B9R1.13 CC(=O)CC1CCCC1 1458a_100000210891_200000210301 [0,0,0,1,0,0|0,0,0]=1 5758 B9R1.13 CC(=O)CC1CCCO1 1458a_100000070787_100000203698 [0,0,0,1,0,0|1,0,0]=2 5759 B9R1.13 CC(=O)CC1CCOC1 1458a_100000070787_100000702531 [0,0,0,1,0,0|1,0,0]=2 5760 B9R1.13 CC(=O)CC1CCOC1 1458a_100011218419_200000210301 [0,0,0,1,0,0|1,0,0]=2 5761 B9R1.13 CC(=O)CC1OCCO1 1458a_100000070787_100000755774 [0,0,0,1,0,0|2,0,0]=3 5762 B9R1.13 CC(=O)CN1CCCC1 1458a_100000740243_200000210301 [0,0,0,1,0,0|1,0,0]=2 5763 B9R1.13 CC(=O)NC1CC=CC1 11a_100015188752_100015343762 [0,0,0,1,0,0|1,0,2]=4 5764 B9R1.13 CC(=O)NC1CC=CC1 1626a_100015188752_100015343762 [0,0,0,1,0,0|1,0,2]=4 5765 B9R1.13 CC(=O)NC1CC=CC1 240690a_100015188752_100015343762 [0,0,0,1,0,0|1,0,2]=4 5766 B9R1.13 CC(=O)NC1CC=CC1 527a_100015188752_100103153847 [0,0,0,1,0,0|1,0,2]=4 5767 B9R1.13 CC(=O)NC1CCCC1 11a_100000211070_100015343762 [0,0,0,1,0,0|1,0,0]=2 5768 B9R1.13 CC(=O)NC1CCCC1 1626a_100000211070_100015343762 [0,0,0,1,0,0|1,0,0]=2 5769 B9R1.13 CC(=O)NC1CCCC1 240690a_100000211070_100015343762 [0,0,0,1,0,0|1,0,0]=2 5770 B9R1.13 CC(=O)NC1CCCC1 527a_100000211070_100103153847 [0,0,0,1,0,0|1,0,0]=2 5771 B9R1.13 CC(=O)N[C@@H]1CCOC1 240690a_200015188469_100015343762 [0,0,0,1,0,0|2,0,0]=3 5772 B9R1.13 CC(=O)N[C@@H]1CCOC1 527a_200015188469_100103153847 [0,0,0,1,0,0|2,0,0]=3 5773 B9R1.13 CC(=O)N[C@H]1CCOC1 11a_100015188467_100015343762 [0,0,0,1,0,0|2,0,0]=3 5774 B9R1.13 CC(=O)N[C@H]1CCOC1 1626a_100015188467_100015343762 [0,0,0,1,0,0|2,0,0]=3 5775 B9R1.13 CC(=O)N[C@H]1CCOC1 240690a_100015188467_100015343762 [0,0,0,1,0,0|2,0,0]=3 5776 B9R1.13 CC(=O)N[C@H]1CCOC1 527a_100015188467_100103153847 [0,0,0,1,0,0|2,0,0]=3 5777 B9R1.13 CC(C)CN1CCCC1 2230a_100000188435_100000210760 [0,0,0,1,0,0|2,0,1]=4 5778 B9R1.13 CC(C)CN1CCCC1 269982a_100000188435_100000210624 [0,0,0,1,0,0|2,0,1]=4 5779 B9R1.13 CC(C)CN1CCCC1 270004a_100000188435_100000210432 [0,0,0,1,0,0|2,0,1]=4 5780 B9R1.13 CC(C)NC1CCCC1 2230a_100000211070_100000210206 [0,0,0,1,0,0|2,0,1]=4 5781 B9R1.13 CC(C)NC1CCCC1 2230a_100138425928_100000179811 [0,0,0,1,0,0|2,0,1]=4 5782 B9R1.13 CC(C)NC1CCCC1 34a_100000211070_100000210206 [0,0,0,1,0,0|2,0,1]=4 5783 B9R1.13 CC(C)NC1CCCC1 34a_100138425928_100000179811 [0,0,0,1,0,0|2,0,1]=4 5784 B9R1.13 CC(C)OC1CCCC1 34a_100000210269_100000210206 [0,0,0,1,0,0|2,0,1]=4 5785 B9R1.13 CC(C)OC1CCCC1 34a_100000212225_100000179811 [0,0,0,1,0,0|2,0,1]=4 5786 B9R1.13 CC(C)OC1CCCC1 7a_100000210269_100000210206 [0,0,0,1,0,0|2,0,1]=4 5787 B9R1.13 CC(C)SC1CCCC1 62a_100000210206_100000179811 [0,0,0,1,0,0|2,0,1]=4 5788 B9R1.13 CC(C)SC1CCCC1 62a_100011217020_100000210206 [0,0,0,1,0,0|2,0,1]=4 5789 B9R1.13 CC(O)CN1CCCC1 2230a_100000188435_100011218427 [0,0,0,1,0,0|1,0,2]=4 5790 B9R1.13 CC(O)CN1CCCC1 269982a_100000188435_100011218427 [0,0,0,1,0,0|1,0,2]=4 5791 B9R1.13 CN(C)CC1CCCC1 2230a_100102631434_100000740388 [0,0,0,1,0,0|2,0,0]=3 5792 B9R1.13 CN(C)CC1CCCC1 269982a_100102631434_100000740388 [0,0,0,1,0,0|2,0,0]=3 5793 B9R1.13 CN(C)CC1CCCO1 2230a_100102631434_100000203698 [0,0,0,1,0,0|3,0,0]=4 5794 B9R1.13 CN(C)CC1CCCO1 2230a_100102946541_200000210301 [0,0,0,1,0,0|3,0,0]=4 5795 B9R1.13 CN(C)CC1CCCO1 269982a_100102631434_100000183445 [0,0,0,1,0,0|3,0,0]=4 5796 B9R1.13 CN(C)CC1CCCO1 269982a_100102946541_200000210301 [0,0,0,1,0,0|3,0,0]=4 5797 B9R1.13 CN(C)CC1CCCO1 34a_100102946541_200000210301 [0,0,0,1,0,0|3,0,0]=4 5798 B9R1.13 CN(C)CC1CCOC1 2230a_100000684583_200000210301 [0,0,0,1,0,0|3,0,0]=4 5799 B9R1.13 CN(C)CC1CCOC1 2230a_100102631434_100000702531 [0,0,0,1,0,0|3,0,0]=4 5800 B9R1.13 CN(C)CC1CCOC1 269982a_100000684583_200000210301 [0,0,0,1,0,0|3,0,0]=4 5801 B9R1.13 CN(C)CC1CCOC1 269982a_100102631434_100000702531 [0,0,0,1,0,0|3,0,0]=4 5802 B9R1.13 CN(C)CC1CCOC1 34a_100000684583_200000210301 [0,0,0,1,0,0|3,0,0]=4 5803 B9R1.13 CN([13CH3])CC1CCCO1 2230a_100102946541_200025704644 [0,0,0,1,0,0|3,0,0]=4 5804 B9R1.13 CN([13CH3])CC1CCCO1 269982a_100102946541_200025704644 [0,0,0,1,0,0|3,0,0]=4 5805 B9R1.13 CN([13CH3])CC1CCCO1 34a_100102946541_200025704644 [0,0,0,1,0,0|3,0,0]=4 5806 B9R1.13 CN([13CH3])CC1CCOC1 2230a_100000684583_200025704644 [0,0,0,1,0,0|3,0,0]=4 5807 B9R1.13 CN([13CH3])CC1CCOC1 269982a_100000684583_200025704644 [0,0,0,1,0,0|3,0,0]=4 5808 B9R1.13 CN([13CH3])CC1CCOC1 34a_100000684583_200025704644 [0,0,0,1,0,0|3,0,0]=4 5809 B9R1.13 C[C@@H](O)CN1CCCC1 2230a_100000188435_100009817552 [0,0,0,1,0,0|1,0,2]=4 5810 B9R1.13 C[C@@H](O)CN1CCCC1 269982a_100000188435_100009817552 [0,0,0,1,0,0|1,0,2]=4 5811 B9R1.13 NC(=O)CN1CCCC1 2230a_100000188435_100000747473 [0,0,0,1,0,0|2,0,0]=3 5812 B9R1.13 NC(=O)CN1CCCC1 269982a_100000188435_100000187820 [0,0,0,1,0,0|2,0,0]=3 5813 B9R1.13 NC(=O)CN1CCSC1 2230a_100011215254_100000747473 [0,0,0,1,0,0|3,0,0]=4 5814 B9R1.13 NC(=O)CN1CCSC1 269982a_100011215254_100000187820 [0,0,0,1,0,0|3,0,0]=4 5815 B9R1.13 O=C([O-])CN1CCCC1 269982a_100000188435_100020667443 [0,0,0,1,0,0|2,0,0]=3 5816 B9R1.13 O=C([O-])CN1CCSC1 269982a_100011215254_100020667443 [0,0,0,1,0,0|3,0,0]=4 5817 B9R1.13 O=[N+]([O-])CN1CCCC1 269982a_100000188435_100000761209 [0,0,0,1,0,0|3,0,0]=4 5818 B9R1.13 [13CH3]C(=O)C=C1CCCC1 1458a_100000743260_200025704644 [0,0,0,1,0,0|0,0,2]=3 5819 B9R1.13 [13CH3]C(=O)CC1=CCCC1 1458a_100000050221_200025704644 [0,0,0,1,0,0|0,0,2]=3 5820 B9R1.13 [13CH3]C(=O)CC1C=CCC1 1458a_100000212241_200025704644 [0,0,0,1,0,0|0,0,2]=3 5821 B9R1.13 [13CH3]C(=O)CC1CC=CC1 1458a_200000137526_200025704644 [0,0,0,1,0,0|0,0,2]=3 5822 B9R1.13 [13CH3]C(=O)CC1CCCC1 1458a_100000210891_200025704644 [0,0,0,1,0,0|0,0,0]=1 5823 B9R1.13 [13CH3]C(=O)CC1CCOC1 1458a_100011218419_200025704644 [0,0,0,1,0,0|1,0,0]=2 5824 B9R1.13 [13CH3]C(=O)CN1CCCC1 1458a_100000740243_200025704644 [0,0,0,1,0,0|1,0,0]=2 5825 B9R1.16 CCCCN[C@@H]1C[C@@H]1F 2230a_100015190264_100000210211 [0,0,0,1,0,0|2,0,1]=4 5826 B9R1.16 CCCCN[C@@H]1C[C@H]1F 2230a_100025746932_100000210211 [0,0,0,1,0,0|2,0,1]=4 5827 B9R1.16 CCCCN[C@@H]1C[C@H]1F 34a_100025746932_100000210210 [0,0,0,1,0,0|2,0,1]=4 5828 B9R1.16 CCCOCC1CC1C 34a_100000744939_100000210303 [0,0,0,1,0,0|2,0,1]=4 5829 B9R1.16 CCCOCC1CC1C 7a_100000744939_100000210303 [0,0,0,1,0,0|2,0,1]=4 5830 B9R1.24 CC1(CCCC1O[13CH3])C 34a_100000726220_200025704644 [0,0,0,1,0,0|2,0,1]=4 5831 B9R1.24 CC1(CCCC1O[13CH3])C 7a_100000726220_200025704644 [0,0,0,1,0,0|2,0,1]=4 5832 B9R1.24 CCN1CCCC1(C)C 2230a_100000761399_100000210202 [0,0,0,1,0,0|2,0,1]=4 5833 B9R1.24 CCN1CCCC1(C)C 269982a_100000761399_100000204670 [0,0,0,1,0,0|2,0,1]=4 5834 B9R1.24 CCN1CCCC1(C)C 34a_100000761399_100000210202 [0,0,0,1,0,0|2,0,1]=4 5835 B9R1.24 CNC1CCCC1(C)C 269862a_106832991636_100000065263 [0,0,0,1,0,0|2,0,1]=4 5836 B9R1.24 CN[C@@H]1CCC[C@@]1(C)O 2230a_100015977457_200000210301 [0,0,0,1,0,0|1,0,2]=4 5837 B9R1.24 CN[C@@H]1CCC[C@@]1(C)O 34a_100015977457_200000210301 [0,0,0,1,0,0|1,0,2]=4 5838 B9R1.24 COC1CCCC1(C)C 34a_100000726220_200000210301 [0,0,0,1,0,0|2,0,1]=4 5839 B9R1.24 COC1CCCC1(C)C 7a_100000726220_200000210301 [0,0,0,1,0,0|2,0,1]=4 5840 B9R1.24 C[C@]1(CCC[C@H]1N[13CH3])O 2230a_100015977457_200025704644 [0,0,0,1,0,0|1,0,2]=4 5841 B9R1.24 C[C@]1(CCC[C@H]1N[13CH3])O 34a_100015977457_200025704644 [0,0,0,1,0,0|1,0,2]=4 5842 B9R1.41 CC(=O)C1CCCC1=O 1458a_100000070787_100000211823 [0,0,0,1,0,0|1,0,1]=3 5843 B9R1.41 CC(=O)C1CCCC1C 1458a_100000690547_200000210301 [0,0,0,1,0,0|0,0,0]=1 5844 B9R1.41 CC(=O)C1CCOC1=O 1458a_100000070787_100000211211 [0,0,0,1,0,0|2,0,1]=4 5845 B9R1.41 CC(=O)N1CCC[C@@H]1C 240690a_100020605311_100015343762 [0,0,0,1,0,0|1,0,0]=2 5846 B9R1.41 CC(=O)N1CCC[C@@H]1C 527a_100020605311_100103153847 [0,0,0,1,0,0|1,0,0]=2 5847 B9R1.41 CC(=O)N1CCC[C@H]1C 11a_100015189458_100015343762 [0,0,0,1,0,0|1,0,0]=2 5848 B9R1.41 CC(=O)N1CCC[C@H]1C 240690a_100015189458_100015343762 [0,0,0,1,0,0|1,0,0]=2 5849 B9R1.41 CC(=O)N1CCC[C@H]1C 527a_100015189458_100103153847 [0,0,0,1,0,0|1,0,0]=2 5850 B9R1.41 CC(=O)N1CCSC1C 11a_200011216479_100015343762 [0,0,0,1,0,0|2,0,0]=3 5851 B9R1.41 CC(=O)N1CCSC1C 1626a_200011216479_100015343762 [0,0,0,1,0,0|2,0,0]=3 5852 B9R1.41 CC(=O)N1CCSC1C 240690a_200011216479_100015343762 [0,0,0,1,0,0|2,0,0]=3 5853 B9R1.41 CC(=O)N1CCSC1C 527a_200011216479_100103153847 [0,0,0,1,0,0|2,0,0]=3 5854 B9R1.41 CC(=O)[C@@H]1CCCN1C 1458a_100009816429_200000210301 [0,0,0,1,0,0|1,0,0]=2 5855 B9R1.41 CC(C)C1CCCN1C 2230a_100000762757_200000210301 [0,0,0,1,0,0|2,0,1]=4 5856 B9R1.41 CC(C)C1CCCN1C 269982a_100000762757_200000210301 [0,0,0,1,0,0|2,0,1]=4 5857 B9R1.41 CC(C)C1CCCN1C 34a_100000762757_200000210301 [0,0,0,1,0,0|2,0,1]=4 5858 B9R1.41 CC(C)C1CCCN1[13CH3] 2230a_100000762757_200025704644 [0,0,0,1,0,0|2,0,1]=4 5859 B9R1.41 CC(C)C1CCCN1[13CH3] 269982a_100000762757_200025704644 [0,0,0,1,0,0|2,0,1]=4 5860 B9R1.41 CC(C)C1CCCN1[13CH3] 34a_100000762757_200025704644 [0,0,0,1,0,0|2,0,1]=4 5861 B9R1.41 CC(C)N1CCC[C@@H]1C 2230a_100020605311_100000210206 [0,0,0,1,0,0|2,0,1]=4 5862 B9R1.41 CC(C)N1CCC[C@@H]1C 269982a_100020605311_100000210206 [0,0,0,1,0,0|2,0,1]=4 5863 B9R1.41 CC(C)N1CCC[C@H]1C 2230a_100015189458_100000210206 [0,0,0,1,0,0|2,0,1]=4 5864 B9R1.41 CC(C)N1CCC[C@H]1C 269982a_100015189458_100000210206 [0,0,0,1,0,0|2,0,1]=4 5865 B9R1.41 CC(C)N1CCC[C@H]1C 34a_100015189458_100000210206 [0,0,0,1,0,0|2,0,1]=4 5866 B9R1.41 CC1CCCC1C(=O)[13CH3] 1458a_100000690547_200025704644 [0,0,0,1,0,0|0,0,0]=1 5867 B9R1.41 CC1OCCC1N(C)C 270004a_100102631434_100000691750 [0,0,0,1,0,0|3,0,0]=4 5868 B9R1.41 CN(C)[C@@H]1CCC[C@H]1O 269982a_100102631434_200016002552 [0,0,0,1,0,0|3,0,0]=4 5869 B9R1.41 CN1CCC[C@H]1C(=O)N 2230a_100000003125_200000210301 [0,0,0,1,0,0|2,0,0]=3 5870 B9R1.41 CN1CCC[C@H]1C(=O)O 269956a_100000743916_200000210301 [0,0,0,1,0,0|2,0,0]=3 5871 B9R1.41 CN1CCC[C@H]1C(=O)[13CH3] 1458a_100009816429_200025704644 [0,0,0,1,0,0|1,0,0]=2 5872 B9R1.41 CN1CCSC1C(=O)O 269956a_100000035718_200000210301 [0,0,0,1,0,0|3,0,0]=4 5873 B9R1.41 CN1CSC[C@H]1C(=O)O 269956a_100000743924_200000210301 [0,0,0,1,0,0|3,0,0]=4 5874 B9R1.41 [13CH3]N1CCC[C@H]1C(=O)N 2230a_100000003125_200025704644 [0,0,0,1,0,0|2,0,0]=3 5875 B9R1.41 [13CH3]N1CCC[C@H]1C(=O)O 269956a_100000743916_200025704644 [0,0,0,1,0,0|2,0,0]=3 5876 B9R1.41 [13CH3]N1CCSC1C(=O)O 269956a_100000035718_200025704644 [0,0,0,1,0,0|3,0,0]=4 5877 B9R1.41 [13CH3]N1CSC[C@H]1C(=O)O 269956a_100000743924_200025704644 [0,0,0,1,0,0|3,0,0]=4 5878 B9R1.46 C=C(C)CN[C@@H]1C[C@@H]1F 2230a_100015190264_100000748629 [0,0,0,1,0,0|3,0,0]=4 5879 B9R1.46 C=C(C)CN[C@@H]1C[C@H]1F 2230a_100025746932_100000748629 [0,0,0,1,0,0|3,0,0]=4 5880 B9R1.46 C=C(C)CN[C@@H]1C[C@H]1F 34a_100025746932_100000748629 [0,0,0,1,0,0|3,0,0]=4 5881 B9R1.46 CC(C)OCC1CC1C 34a_100000744939_100000210206 [0,0,0,1,0,0|2,0,1]=4 5882 B9R1.46 CC(C)OCC1CC1C 7a_100000744939_100000210206 [0,0,0,1,0,0|2,0,1]=4 5883 B9R1.46 NC(=O)CN[C@@H]1C[C@@H]1F 2230a_100015190264_100000747473 [0,0,0,1,0,0|3,0,0]=4 5884 B9R1.46 NC(=O)CN[C@@H]1C[C@H]1F 2230a_100025746932_100000747473 [0,0,0,1,0,0|3,0,0]=4 5885 B9R1.46 NC(=O)CN[C@@H]1C[C@H]1F 34a_100025746932_100000187820 [0,0,0,1,0,0|3,0,0]=4 5886 B9R1.46 O=C([O-])CN[C@@H]1C[C@H]1F 34a_100025746932_100020667443 [0,0,0,1,0,0|3,0,0]=4 5887 B9R1.48 CN1CCCCC(C1)O 2230a_100025706797_200000210301 [0,0,0,1,0,0|1,0,2]=4 5888 B9R1.48 CN1CCCCC(C1)O 269982a_100025706797_200000210301 [0,0,0,1,0,0|1,0,2]=4 5889 B9R1.48 CN1CCCNC(=O)C1 2230a_100015190381_200000210301 [0,0,0,1,0,0|2,0,0]=3 5890 B9R1.48 [13CH3]N1CCCCC(C1)O 2230a_100025706797_200025704644 [0,0,0,1,0,0|1,0,2]=4 5891 B9R1.48 [13CH3]N1CCCCC(C1)O 269982a_100025706797_200025704644 [0,0,0,1,0,0|1,0,2]=4 5892 B9R1.48 [13CH3]N1CCCNC(=O)C1 2230a_100015190381_200025704644 [0,0,0,1,0,0|2,0,0]=3 5893 B9R1.50 CN1CCCCCCC1 2230a_100000211400_200000210301 [0,0,0,1,0,0|2,0,0]=3 5894 B9R1.50 CN1CCCCCCC1 269982a_100000211400_200000210301 [0,0,0,1,0,0|2,0,0]=3 5895 B9R1.50 CN1CCCCCCC1 34a_100000211400_200000210301 [0,0,0,1,0,0|2,0,0]=3 5896 B9R1.50 [13CH3]N1CCCCCCC1 2230a_100000211400_200025704644 [0,0,0,1,0,0|2,0,0]=3 5897 B9R1.50 [13CH3]N1CCCCCCC1 269982a_100000211400_200025704644 [0,0,0,1,0,0|2,0,0]=3 5898 B9R1.50 [13CH3]N1CCCCCCC1 34a_100000211400_200025704644 [0,0,0,1,0,0|2,0,0]=3 5899 B9R1.67 C=C(C)CN1CCC1C 269982a_100000755817_100000748629 [0,0,0,1,0,0|2,0,0]=3 5900 B9R1.67 C=C(C)CN1CCC1C 34a_100000755817_100000748629 [0,0,0,1,0,0|2,0,0]=3 5901 B9R1.67 C=C(F)CN1CCC1C 269982a_100000755817_100009893438 [0,0,0,1,0,0|2,0,1]=4 5902 B9R1.67 C=C(F)CN1CCC1C 34a_100000755817_100009893438 [0,0,0,1,0,0|2,0,1]=4 5903 B9R1.67 CC(C)CN1CCC1C 269982a_100000755817_100000210624 [0,0,0,1,0,0|2,0,1]=4 5904 B9R1.67 CC(C)CN1CCC1C 34a_100000755817_100000210624 [0,0,0,1,0,0|2,0,1]=4 5905 B9R1.67 CC(O)CN1CCC1C 269982a_100000755817_100011218427 [0,0,0,1,0,0|1,0,2]=4 5906 B9R1.67 CC(O)CN1CCC1C 34a_100000755817_100011218427 [0,0,0,1,0,0|1,0,2]=4 5907 B9R1.67 CC1CCN1CC(=O)N 269982a_100000755817_100000187820 [0,0,0,1,0,0|2,0,0]=3 5908 B9R1.67 CC1CCN1CC(=O)N 34a_100000755817_100000187820 [0,0,0,1,0,0|2,0,0]=3 5909 B9R1.67 CC1CCN1CC(=O)[O-] 269982a_100000755817_100020667443 [0,0,0,1,0,0|2,0,0]=3 5910 B9R1.67 CC1CCN1CC(=O)[O-] 34a_100000755817_100020667443 [0,0,0,1,0,0|2,0,0]=3 5911 B9R1.67 CC1CCN1C[C@@H](C)O 269982a_100000755817_100009817552 [0,0,0,1,0,0|1,0,2]=4 5912 B9R1.67 CC1CCN1C[C@@H](C)O 34a_100000755817_100009817552 [0,0,0,1,0,0|1,0,2]=4 5913 B9R1.67 CC1CCN1C[N+](=O)[O-] 269982a_100000755817_100000761209 [0,0,0,1,0,0|3,0,0]=4 5914 B9R1.67 CC1CCN1C[N+](=O)[O-] 34a_100000755817_100000761209 [0,0,0,1,0,0|3,0,0]=4 5915 B9R1.77 CCOCC1CC1(C)C 34a_100000728257_100000210202 [0,0,0,1,0,0|2,0,1]=4 5916 B9R1.77 CCOCC1CC1(C)C 7a_100000728257_100000210202 [0,0,0,1,0,0|2,0,1]=4 5917 B9R1.83 CCCCCNC1CC1 34a_100000212008_100000718602 [0,0,0,1,0,0|2,0,1]=4 5918 B9R1.83 CCCCCOC1CC1 34a_100000210253_100000211595 [0,0,0,1,0,0|2,0,1]=4 5919 B9R1.83 CCCCCSC1CC1 62a_100000210326_100000211595 [0,0,0,1,0,0|2,0,1]=4 5920 B9R1.83 CCCCNCC1CC1 2230a_100000102301_100000742324 [0,0,0,1,0,0|2,0,1]=4 5921 B9R1.83 CCCCNCC1CC1 2230a_100000735609_100000210211 [0,0,0,1,0,0|2,0,1]=4 5922 B9R1.83 CCCCNCC1CC1 269862a_100000102301_100000741477 [0,0,0,1,0,0|2,0,1]=4 5923 B9R1.83 CCCCNCC1CC1 34a_100000735609_100000210210 [0,0,0,1,0,0|2,0,1]=4 5924 B9R1.83 CCCCNCC1CC1 7a_106832991798_100000742324 [0,0,0,1,0,0|2,0,1]=4 5925 B9R1.83 CCCCNCC1CO1 2230a_100000102301_100011216344 [0,0,0,1,0,0|1,0,2]=4 5926 B9R1.83 CCCCNCC1CO1 7a_106832991798_102125554688 [0,0,0,1,0,0|1,0,2]=4 5927 B9R1.83 CCCCNCC1CS1 7a_106832991798_100000031435 [0,0,0,1,0,0|1,1,1]=4 5928 B9R1.83 CCCCNC[C@@H]1CO1 7a_106832991798_100000745022 [0,0,0,1,0,0|1,0,2]=4 5929 B9R1.83 CCCCOCC1CC1 34a_100000210227_100000742324 [0,0,0,1,0,0|2,0,1]=4 5930 B9R1.83 CCCCOCC1CC1 34a_100000211283_100000210210 [0,0,0,1,0,0|2,0,1]=4 5931 B9R1.83 CCCCOCC1CC1 7a_100000210227_100000742324 [0,0,0,1,0,0|2,0,1]=4 5932 B9R1.83 CCCCOCC1CO1 34a_100000210227_102125554688 [0,0,0,1,0,0|1,0,2]=4 5933 B9R1.83 CCCCOCC1CO1 7a_100000210227_102125554688 [0,0,0,1,0,0|1,0,2]=4 5934 B9R1.83 CCCCOCC1CS1 7a_100000210227_100000031435 [0,0,0,1,0,0|1,1,1]=4 5935 B9R1.83 CCCCOC[C@@H]1CO1 34a_100000757423_100000210210 [0,0,0,1,0,0|1,0,2]=4 5936 B9R1.83 CCCCOC[C@@H]1CO1 7a_100000210227_100000745022 [0,0,0,1,0,0|1,0,2]=4 5937 B9R1.83 CCCCSCC1CC1 62a_100000210211_100000742324 [0,0,0,1,0,0|2,0,1]=4 5938 B9R1.83 CCCCSCC1CC1 62a_100000756562_100000210210 [0,0,0,1,0,0|2,0,1]=4 5939 B9R1.83 CCCCSCC1CO1 62a_100000210211_102125554688 [0,0,0,1,0,0|1,0,2]=4 5940 B9R1.83 CCCCSCC1CO1 62a_102125554688_100000210210 [0,0,0,1,0,0|1,0,2]=4 5941 B9R1.83 CCCCSCC1CS1 62a_100000031435_100000210210 [0,0,0,1,0,0|1,1,1]=4 5942 B9R1.83 CCCCSCC1CS1 62a_100000210211_100000031435 [0,0,0,1,0,0|1,1,1]=4 5943 B9R1.83 CCCCSC[C@@H]1CO1 62a_100000210211_100000745022 [0,0,0,1,0,0|1,0,2]=4 5944 B9R1.83 CCCCSC[C@@H]1CO1 62a_100000745022_100000210210 [0,0,0,1,0,0|1,0,2]=4 5945 B9R1.83 CCCNCCC1CC1 34a_100000764129_100000210303 [0,0,0,1,0,0|2,0,1]=4 5946 B9R1.83 CCCOCCC1CC1 34a_100000210258_100000694398 [0,0,0,1,0,0|2,0,1]=4 5947 B9R1.83 CCCOCCC1CC1 34a_100000754188_100000210303 [0,0,0,1,0,0|2,0,1]=4 5948 B9R1.83 CCCOCCC1CC1 7a_100000754188_100000210303 [0,0,0,1,0,0|2,0,1]=4 5949 B9R1.83 CCCOCCC1CO1 34a_100000210258_100000732470 [0,0,0,1,0,0|1,0,2]=4 5950 B9R1.83 CCCOCC[C@@H]1CO1 34a_100009820653_100000210303 [0,0,0,1,0,0|1,0,2]=4 5951 B9R1.83 CCCSCCC1CC1 62a_100000210303_100000764125 [0,0,0,1,0,0|2,0,1]=4 5952 B9R1.83 CCCSCCC1CC1 62a_100000764125_100000210303 [0,0,0,1,0,0|2,0,1]=4 5953 B9R1.83 CCCSCCC1CO1 62a_100000210303_100000732470 [0,0,0,1,0,0|1,0,2]=4 5954 B9R1.83 CCCSCCC1CO1 62a_100000732470_100000210303 [0,0,0,1,0,0|1,0,2]=4 5955 B9R1.83 CCNCCCC1CO1 2230a_100015525214_100000733510 [0,0,0,1,0,0|1,0,2]=4 5956 B9R1.83 CCOCCCC1CO1 34a_100121572206_100000733510 [0,0,0,1,0,0|1,0,2]=4 5957 B9R1.83 CCSCCCC1CO1 62a_100000210202_100000733510 [0,0,0,1,0,0|1,0,2]=4 5958 B9R1.83 CCSCCCC1CO1 62a_100000733510_100000210202 [0,0,0,1,0,0|1,0,2]=4 5959 B9R1.84 C=C(C)CCN1CCC1 269982a_100000754969_100000730704 [0,0,0,1,0,0|2,0,0]=3 5960 B9R1.84 C=C(C)CNC1CCC1 2230a_100000749019_100000748629 [0,0,0,1,0,0|2,0,0]=3 5961 B9R1.84 C=C(C)CNC1CCC1 34a_100000749019_100000748629 [0,0,0,1,0,0|2,0,0]=3 5962 B9R1.84 C=C(C)CNC1COC1 2230a_100016991112_100000748629 [0,0,0,1,0,0|3,0,0]=4 5963 B9R1.84 C=C(C)COC1CCC1 34a_100000210245_100000749161 [0,0,0,1,0,0|2,0,0]=3 5964 B9R1.84 C=C(C)COC1CCC1 34a_100000748187_100000748629 [0,0,0,1,0,0|2,0,0]=3 5965 B9R1.84 C=C(C)COC1COC1 34a_100000210245_100009818527 [0,0,0,1,0,0|3,0,0]=4 5966 B9R1.84 C=C(C)COC1CSC1 7a_100000072292_100000748629 [0,0,0,1,0,0|3,0,0]=4 5967 B9R1.84 C=C(C)CSC1CCC1 62a_100000748629_100000749161 [0,0,0,1,0,0|2,0,0]=3 5968 B9R1.84 C=C(C)CSC1COC1 62a_100000748629_100009818527 [0,0,0,1,0,0|3,0,0]=4 5969 B9R1.84 C=C(F)CNC1CCC1 2230a_100000749019_100009893438 [0,0,0,1,0,0|2,0,1]=4 5970 B9R1.84 C=C(F)CNC1CCC1 34a_100000749019_100009893438 [0,0,0,1,0,0|2,0,1]=4 5971 B9R1.84 C=C(F)COC1CCC1 34a_100000748187_100009893438 [0,0,0,1,0,0|2,0,1]=4 5972 B9R1.84 C=C(F)COC1CCC1 34a_200010262243_100000749161 [0,0,0,1,0,0|2,0,1]=4 5973 B9R1.84 C=C(F)CSC1CCC1 62a_100000042424_100000749161 [0,0,0,1,0,0|2,0,1]=4 5974 B9R1.84 CC(=CCN1CCC1)C 269982a_100000754969_100000761012 [0,0,0,1,0,0|2,0,1]=4 5975 B9R1.84 CC(=O)CCN1CCC1 269982a_100000754969_100000053229 [0,0,0,1,0,0|1,0,0]=2 5976 B9R1.84 CC(=O)COC1CCC1 34a_100000211253_100000749161 [0,0,0,1,0,0|1,0,0]=2 5977 B9R1.84 CC(=O)COC1COC1 34a_100000211253_100009818527 [0,0,0,1,0,0|2,0,0]=3 5978 B9R1.84 CC(=O)NCC1CCC1 11a_100000738700_100015343762 [0,0,0,1,0,0|1,0,0]=2 5979 B9R1.84 CC(=O)NCC1CCC1 1626a_100000738700_100015343762 [0,0,0,1,0,0|1,0,0]=2 5980 B9R1.84 CC(=O)NCC1CCC1 240690a_100000738700_100015343762 [0,0,0,1,0,0|1,0,0]=2 5981 B9R1.84 CC(=O)NCC1CCC1 527a_100000738700_100103153847 [0,0,0,1,0,0|1,0,0]=2 5982 B9R1.84 CC(=O)NCC1COC1 11a_100015281925_100015343762 [0,0,0,1,0,0|2,0,0]=3 5983 B9R1.84 CC(=O)NCC1COC1 1626a_100015281925_100015343762 [0,0,0,1,0,0|2,0,0]=3 5984 B9R1.84 CC(=O)NCC1COC1 240690a_100015281925_100015343762 [0,0,0,1,0,0|2,0,0]=3 5985 B9R1.84 CC(=O)NCC1COC1 527a_100015281925_100103153847 [0,0,0,1,0,0|2,0,0]=3 5986 B9R1.84 CC(=O)NC[C@@H]1CCO1 11a_100020831831_100015343762 [0,0,0,1,0,0|2,0,0]=3 5987 B9R1.84 CC(=O)NC[C@@H]1CCO1 1626a_100020831831_100015343762 [0,0,0,1,0,0|2,0,0]=3 5988 B9R1.84 CC(=O)NC[C@@H]1CCO1 240690a_100020831831_100015343762 [0,0,0,1,0,0|2,0,0]=3 5989 B9R1.84 CC(=O)NC[C@@H]1CCO1 527a_100020831831_100103153847 [0,0,0,1,0,0|2,0,0]=3 5990 B9R1.84 CC(=O)NN=C1CCC1 4a_100000189765_100000241760 [0,0,0,1,0,0|2,0,1]=4 5991 B9R1.84 CC(=O)NNC1CCC1 22a_100000736358_100000070787 [0,0,0,1,0,0|2,0,0]=3 5992 B9R1.84 CC(=O)NNC1COC1 22a_100015188821_100000070787 [0,0,0,1,0,0|3,0,0]=4 5993 B9R1.84 CC(=O)OCN1CCC1 269982a_100000754969_100000076356 [0,0,0,1,0,0|2,0,0]=3 5994 B9R1.84 CC(Br)COC1CCC1 34a_100012180447_100000749161 [0,0,0,1,0,0|2,0,1]=4 5995 B9R1.84 CC(C)CCN1CCC1 269982a_100000754969_100000210312 [0,0,0,1,0,0|2,0,1]=4 5996 B9R1.84 CC(C)CNC1CCC1 2230a_100000749019_100000210760 [0,0,0,1,0,0|2,0,1]=4 5997 B9R1.84 CC(C)CNC1CCC1 270004a_100000210953_100000241760 [0,0,0,1,0,0|2,0,1]=4 5998 B9R1.84 CC(C)CNC1CCC1 34a_100000210953_100000749161 [0,0,0,1,0,0|2,0,1]=4 5999 B9R1.84 CC(C)CNC1CCC1 34a_100000749019_100000210624 [0,0,0,1,0,0|2,0,1]=4 6000 B9R1.84 CC(C)COC1CCC1 34a_100000210257_100000749161 [0,0,0,1,0,0|2,0,1]=4 6001 B9R1.84 CC(C)COC1CCC1 34a_100000748187_100000210624 [0,0,0,1,0,0|2,0,1]=4 6002 B9R1.84 CC(C)CSC1CCC1 62a_100000210624_100000749161 [0,0,0,1,0,0|2,0,1]=4 6003 B9R1.84 CC(C)NCC1CCC1 2230a_100000738700_100000210206 [0,0,0,1,0,0|2,0,1]=4 6004 B9R1.84 CC(C)NCC1CCC1 2230a_100138425928_100000763275 [0,0,0,1,0,0|2,0,1]=4 6005 B9R1.84 CC(C)NCC1CCC1 34a_100000738700_100000210206 [0,0,0,1,0,0|2,0,1]=4 6006 B9R1.84 CC(C)NCC1CCC1 34a_100138425928_100000763275 [0,0,0,1,0,0|2,0,1]=4 6007 B9R1.84 CC(C)OCC1CCC1 34a_100000212225_100000763275 [0,0,0,1,0,0|2,0,1]=4 6008 B9R1.84 CC(C)OCC1CCC1 34a_100000760304_100000210206 [0,0,0,1,0,0|2,0,1]=4 6009 B9R1.84 CC(C)SCC1CCC1 62a_100000210206_100000763275 [0,0,0,1,0,0|2,0,1]=4 6010 B9R1.84 CC(C)SCC1CCC1 62a_100000763275_100000210206 [0,0,0,1,0,0|2,0,1]=4 6011 B9R1.84 CC(F)COC1CCC1 34a_100015925927_100000749161 [0,0,0,1,0,0|2,0,1]=4 6012 B9R1.84 CC(O)CCN1CCC1 269982a_100000754969_100012276601 [0,0,0,1,0,0|1,0,2]=4 6013 B9R1.84 CC(O)CNC1CCC1 2230a_100000749019_100011218427 [0,0,0,1,0,0|1,0,2]=4 6014 B9R1.84 CC(O)CNC1CCC1 270004a_100000210904_100000241760 [0,0,0,1,0,0|1,0,2]=4 6015 B9R1.84 CC(O)CNC1CCC1 34a_100000210904_100000749161 [0,0,0,1,0,0|1,0,2]=4 6016 B9R1.84 CC(O)CNC1CCC1 34a_100000749019_100011218427 [0,0,0,1,0,0|1,0,2]=4 6017 B9R1.84 CC(O)COC1CCC1 34a_100000748187_100011218427 [0,0,0,1,0,0|1,0,2]=4 6018 B9R1.84 CC(O)CSC1CCC1 62a_100011218427_100000749161 [0,0,0,1,0,0|1,0,2]=4 6019 B9R1.84 CN(C)CCN1CCC1 269982a_100000754969_100000755713 [0,0,0,1,0,0|3,0,0]=4 6020 B9R1.84 C[C@@H](Cl)COC1CCC1 34a_100016084084_100000749161 [0,0,0,1,0,0|2,0,1]=4 6021 B9R1.84 C[C@@H](N)COC1CCC1 34a_100000737577_100000749161 [0,0,0,1,0,0|2,0,1]=4 6022 B9R1.84 C[C@@H](O)CNC1CCC1 2230a_100000749019_100009817552 [0,0,0,1,0,0|1,0,2]=4 6023 B9R1.84 C[C@@H](O)CNC1CCC1 34a_100000749019_100009817552 [0,0,0,1,0,0|1,0,2]=4 6024 B9R1.84 C[C@@H](O)COC1CCC1 34a_100000748187_100009817552 [0,0,0,1,0,0|1,0,2]=4 6025 B9R1.84 C[C@@H](O)CSC1CCC1 62a_100009817552_100000749161 [0,0,0,1,0,0|1,0,2]=4 6026 B9R1.84 NC(=O)CCN1CCC1 269982a_100000754969_100000744528 [0,0,0,1,0,0|2,0,0]=3 6027 B9R1.84 NC(=O)CNC1CCC1 2230a_100000749019_100000747473 [0,0,0,1,0,0|2,0,0]=3 6028 B9R1.84 NC(=O)CNC1CCC1 34a_100000749019_100000187820 [0,0,0,1,0,0|2,0,0]=3 6029 B9R1.84 NC(=O)CNC1COC1 2230a_100016991112_100000747473 [0,0,0,1,0,0|3,0,0]=4 6030 B9R1.84 NC(=O)COC1CCC1 34a_100000748187_100000187820 [0,0,0,1,0,0|2,0,0]=3 6031 B9R1.84 NC(=O)COC1CSC1 7a_100000072292_100000187820 [0,0,0,1,0,0|3,0,0]=4 6032 B9R1.84 NC(=O)CSC1CCC1 62a_100000747473_100000749161 [0,0,0,1,0,0|2,0,0]=3 6033 B9R1.84 NC(=O)CSC1COC1 62a_100000747473_100009818527 [0,0,0,1,0,0|3,0,0]=4 6034 B9R1.84 O=C(O)CNC1CCC1 269956a_100016091260_100000749161 [0,0,0,1,0,0|2,0,0]=3 6035 B9R1.84 O=C(O)CNC1COC1 269956a_100016091260_100009818527 [0,0,0,1,0,0|3,0,0]=4 6036 B9R1.84 O=C([O-])CNC1CCC1 34a_100000749019_100020667443 [0,0,0,1,0,0|2,0,0]=3 6037 B9R1.84 O=C([O-])COC1CCC1 34a_100000748187_100020667443 [0,0,0,1,0,0|2,0,0]=3 6038 B9R1.84 O=C([O-])CSC1CCC1 62a_100020667443_100000749161 [0,0,0,1,0,0|2,0,0]=3 6039 B9R1.84 O=C([O-])CSC1COC1 62a_100020667443_100009818527 [0,0,0,1,0,0|3,0,0]=4 6040 B9R1.84 O=[N+]([O-])CNC1CCC1 34a_100000749019_100000761209 [0,0,0,1,0,0|3,0,0]=4 6041 B9R1.84 O=[N+]([O-])COC1CCC1 34a_100000748187_100000761209 [0,0,0,1,0,0|3,0,0]=4 6042 B9R1.85 C=C(Br)CCOC1CC1 34a_100009813270_100000211595 [0,0,0,1,0,0|2,0,1]=4 6043 B9R1.85 C=C(C)CCNC1CC1 34a_100000212008_100000730704 [0,0,0,1,0,0|2,0,0]=3 6044 B9R1.85 C=C(C)CCOC1CC1 34a_100000764851_100000211595 [0,0,0,1,0,0|2,0,0]=3 6045 B9R1.85 C=C(C)CCSC1CC1 62a_100000730704_100000211595 [0,0,0,1,0,0|2,0,0]=3 6046 B9R1.85 C=C(C)CNCC1CC1 2230a_100000735609_100000748629 [0,0,0,1,0,0|2,0,0]=3 6047 B9R1.85 C=C(C)CNCC1CC1 34a_100000735609_100000748629 [0,0,0,1,0,0|2,0,0]=3 6048 B9R1.85 C=C(C)COCC1CC1 34a_100000210245_100000742324 [0,0,0,1,0,0|2,0,0]=3 6049 B9R1.85 C=C(C)COCC1CC1 34a_100000211283_100000748629 [0,0,0,1,0,0|2,0,0]=3 6050 B9R1.85 C=C(C)COCC1CO1 34a_100000210245_102125554688 [0,0,0,1,0,0|3,0,0]=4 6051 B9R1.85 C=C(C)COC[C@@H]1CO1 34a_100000757423_100000748629 [0,0,0,1,0,0|3,0,0]=4 6052 B9R1.85 C=C(C)CSCC1CC1 62a_100000748629_100000742324 [0,0,0,1,0,0|2,0,0]=3 6053 B9R1.85 C=C(C)CSCC1CC1 62a_100000756562_100000211660 [0,0,0,1,0,0|2,0,0]=3 6054 B9R1.85 C=C(C)CSCC1CO1 62a_100000748629_102125554688 [0,0,0,1,0,0|3,0,0]=4 6055 B9R1.85 C=C(C)CSCC1CO1 62a_102125554688_100000211660 [0,0,0,1,0,0|3,0,0]=4 6056 B9R1.85 C=C(C)CSCC1CS1 62a_100000031435_100000211660 [0,0,0,1,0,0|3,0,0]=4 6057 B9R1.85 C=C(C)CSCC1CS1 62a_100000748629_100000031435 [0,0,0,1,0,0|3,0,0]=4 6058 B9R1.85 C=C(C)CSC[C@@H]1CO1 62a_100000745022_100000211660 [0,0,0,1,0,0|3,0,0]=4 6059 B9R1.85 C=C(C)CSC[C@@H]1CO1 62a_100000748629_100000745022 [0,0,0,1,0,0|3,0,0]=4 6060 B9R1.85 C=C(F)CNCC1CC1 2230a_100000735609_100009893438 [0,0,0,1,0,0|2,0,1]=4 6061 B9R1.85 C=C(F)CNCC1CC1 34a_100000735609_100009893438 [0,0,0,1,0,0|2,0,1]=4 6062 B9R1.85 C=C(F)COCC1CC1 34a_100000211283_100009893438 [0,0,0,1,0,0|2,0,1]=4 6063 B9R1.85 C=C(F)COCC1CC1 34a_200010262243_100000742324 [0,0,0,1,0,0|2,0,1]=4 6064 B9R1.85 C=C(F)CSCC1CC1 62a_100000042424_100000742324 [0,0,0,1,0,0|2,0,1]=4 6065 B9R1.85 C=C(F)CSCC1CC1 62a_100000756562_100000042424 [0,0,0,1,0,0|2,0,1]=4 6066 B9R1.85 CC(=CCNC1CC1)C 34a_100000212008_100000761012 [0,0,0,1,0,0|2,0,1]=4 6067 B9R1.85 CC(=CCNC1CC1)C 34a_100000718196_100000211595 [0,0,0,1,0,0|2,0,1]=4 6068 B9R1.85 CC(=CCOC1CC1)C 34a_100000753907_100000211595 [0,0,0,1,0,0|2,0,1]=4 6069 B9R1.85 CC(=CCSC1CC1)C 62a_100000761012_100000211595 [0,0,0,1,0,0|2,0,1]=4 6070 B9R1.85 CC(=O)CC#CC1CC1 1458a_100000070787_100009895102 [0,0,0,1,0,0|0,0,2]=3 6071 B9R1.85 CC(=O)CCCC1CO1 1458a_100000070787_100000733510 [0,0,0,1,0,0|1,0,0]=2 6072 B9R1.85 CC(=O)CCOC1CC1 34a_100000759926_100000211595 [0,0,0,1,0,0|1,0,0]=2 6073 B9R1.85 CC(=O)CCSC1CC1 62a_100000053229_100000211595 [0,0,0,1,0,0|1,0,0]=2 6074 B9R1.85 CC(=O)COCC1CC1 34a_100000211253_100000742324 [0,0,0,1,0,0|1,0,0]=2 6075 B9R1.85 CC(=O)COCC1CO1 34a_100000211253_102125554688 [0,0,0,1,0,0|2,0,0]=3 6076 B9R1.85 CC(=O)CSCC1CC1 1458a_200011316215_200000210301 [0,0,0,1,0,0|1,0,0]=2 6077 B9R1.85 CC(=O)NCCC1CC1 1626a_100000764129_100015343762 [0,0,0,1,0,0|1,0,0]=2 6078 B9R1.85 CC(=O)NCCC1CC1 240690a_100000764129_100015343762 [0,0,0,1,0,0|1,0,0]=2 6079 B9R1.85 CC(=O)NCCC1CC1 527a_100000764129_100103153847 [0,0,0,1,0,0|1,0,0]=2 6080 B9R1.85 CC(=O)NN=CC1CC1 4a_100000189765_100000741477 [0,0,0,1,0,0|2,0,1]=4 6081 B9R1.85 CC(=O)NNCC1CC1 22a_100000736359_100000070787 [0,0,0,1,0,0|2,0,0]=3 6082 B9R1.85 CC(=O)OCNC1CC1 34a_100000212008_100009813279 [0,0,0,1,0,0|2,0,0]=3 6083 B9R1.85 CC(=O)OCSC1CC1 62a_100000076356_100000211595 [0,0,0,1,0,0|2,0,0]=3 6084 B9R1.85 CC(Br)CCOC1CC1 34a_100009893172_100000211595 [0,0,0,1,0,0|2,0,1]=4 6085 B9R1.85 CC(Br)COCC1CC1 34a_100012180447_100000742324 [0,0,0,1,0,0|2,0,1]=4 6086 B9R1.85 CC(C)CCNC1CC1 34a_100000212008_100000210312 [0,0,0,1,0,0|2,0,1]=4 6087 B9R1.85 CC(C)CCOC1CC1 34a_100000210254_100000211595 [0,0,0,1,0,0|2,0,1]=4 6088 B9R1.85 CC(C)CCSC1CC1 62a_100000210312_100000211595 [0,0,0,1,0,0|2,0,1]=4 6089 B9R1.85 CC(C)CNCC1CC1 2230a_100000210953_100000742324 [0,0,0,1,0,0|2,0,1]=4 6090 B9R1.85 CC(C)CNCC1CC1 2230a_100000735609_100000210760 [0,0,0,1,0,0|2,0,1]=4 6091 B9R1.85 CC(C)CNCC1CC1 269862a_100000210953_100000741477 [0,0,0,1,0,0|2,0,1]=4 6092 B9R1.85 CC(C)CNCC1CC1 270004a_100000735609_100000210432 [0,0,0,1,0,0|2,0,1]=4 6093 B9R1.85 CC(C)CNCC1CC1 34a_100000210953_100000742324 [0,0,0,1,0,0|2,0,1]=4 6094 B9R1.85 CC(C)CNCC1CC1 34a_100000735609_100000210624 [0,0,0,1,0,0|2,0,1]=4 6095 B9R1.85 CC(C)COCC1CC1 34a_100000210257_100000742324 [0,0,0,1,0,0|2,0,1]=4 6096 B9R1.85 CC(C)COCC1CC1 34a_100000211283_100000210624 [0,0,0,1,0,0|2,0,1]=4 6097 B9R1.85 CC(C)CSCC1CC1 62a_100000210624_100000742324 [0,0,0,1,0,0|2,0,1]=4 6098 B9R1.85 CC(C)CSCC1CC1 62a_100000756562_100000210760 [0,0,0,1,0,0|2,0,1]=4 6099 B9R1.85 CC(C)NCCC1CC1 2230a_100138425928_100000694398 [0,0,0,1,0,0|2,0,1]=4 6100 B9R1.85 CC(C)NCCC1CC1 34a_100000764129_100000210206 [0,0,0,1,0,0|2,0,1]=4 6101 B9R1.85 CC(C)NCCC1CC1 34a_100138425928_100000694398 [0,0,0,1,0,0|2,0,1]=4 6102 B9R1.85 CC(C)OCCC1CC1 34a_100000212225_100000694398 [0,0,0,1,0,0|2,0,1]=4 6103 B9R1.85 CC(C)OCCC1CC1 34a_100000754188_100000210206 [0,0,0,1,0,0|2,0,1]=4 6104 B9R1.85 CC(C)OCCC1CC1 7a_100000754188_100000210206 [0,0,0,1,0,0|2,0,1]=4 6105 B9R1.85 CC(C)SCCC1CC1 62a_100000210206_100000764125 [0,0,0,1,0,0|2,0,1]=4 6106 B9R1.85 CC(C)SCCC1CC1 62a_100000764125_100000210206 [0,0,0,1,0,0|2,0,1]=4 6107 B9R1.85 CC(F)COCC1CC1 34a_100015925927_100000742324 [0,0,0,1,0,0|2,0,1]=4 6108 B9R1.85 CC(O)CCNC1CC1 34a_100000212008_100012276601 [0,0,0,1,0,0|1,0,2]=4 6109 B9R1.85 CC(O)CCSC1CC1 62a_100012276601_100000211595 [0,0,0,1,0,0|1,0,2]=4 6110 B9R1.85 CC(O)CNCC1CC1 2230a_100000210904_100000742324 [0,0,0,1,0,0|1,0,2]=4 6111 B9R1.85 CC(O)CNCC1CC1 2230a_100000735609_100011218427 [0,0,0,1,0,0|1,0,2]=4 6112 B9R1.85 CC(O)CNCC1CC1 269862a_100000210904_100000741477 [0,0,0,1,0,0|1,0,2]=4 6113 B9R1.85 CC(O)CNCC1CC1 34a_100000210904_100000742324 [0,0,0,1,0,0|1,0,2]=4 6114 B9R1.85 CC(O)CNCC1CC1 34a_100000735609_100011218427 [0,0,0,1,0,0|1,0,2]=4 6115 B9R1.85 CC(O)COCC1CC1 34a_100000211283_100011218427 [0,0,0,1,0,0|1,0,2]=4 6116 B9R1.85 CC(O)CSCC1CC1 62a_100000756562_100011218427 [0,0,0,1,0,0|1,0,2]=4 6117 B9R1.85 CC(O)CSCC1CC1 62a_100011218427_100000742324 [0,0,0,1,0,0|1,0,2]=4 6118 B9R1.85 CN(C)CCCC1CO1 2230a_100102631434_100000733510 [0,0,0,1,0,0|3,0,0]=4 6119 B9R1.85 CN(C)CCCC1CO1 269982a_100102631434_100000733510 [0,0,0,1,0,0|3,0,0]=4 6120 B9R1.85 C[C@@H](Cl)COCC1CC1 34a_100016084084_100000742324 [0,0,0,1,0,0|2,0,1]=4 6121 B9R1.85 C[C@@H](N)CCOC1CC1 34a_100000706166_100000211595 [0,0,0,1,0,0|2,0,1]=4 6122 B9R1.85 C[C@@H](N)COCC1CC1 34a_100000737577_100000742324 [0,0,0,1,0,0|2,0,1]=4 6123 B9R1.85 C[C@@H](O)CNCC1CC1 2230a_100000735609_100009817552 [0,0,0,1,0,0|1,0,2]=4 6124 B9R1.85 C[C@@H](O)CNCC1CC1 34a_100000735609_100009817552 [0,0,0,1,0,0|1,0,2]=4 6125 B9R1.85 C[C@@H](O)COCC1CC1 34a_100000211283_100009817552 [0,0,0,1,0,0|1,0,2]=4 6126 B9R1.85 C[C@@H](O)CSCC1CC1 62a_100000756562_100009817552 [0,0,0,1,0,0|1,0,2]=4 6127 B9R1.85 C[C@@H](O)CSCC1CC1 62a_100009817552_100000742324 [0,0,0,1,0,0|1,0,2]=4 6128 B9R1.85 NC(=O)CCNC1CC1 34a_100000212008_100000731001 [0,0,0,1,0,0|2,0,0]=3 6129 B9R1.85 NC(=O)CCOC1CC1 34a_100000757172_100000211595 [0,0,0,1,0,0|2,0,0]=3 6130 B9R1.85 NC(=O)CCSC1CC1 62a_100000744528_100000211595 [0,0,0,1,0,0|2,0,0]=3 6131 B9R1.85 NC(=O)CNCC1CC1 2230a_100000711301_100000742324 [0,0,0,1,0,0|2,0,0]=3 6132 B9R1.85 NC(=O)CNCC1CC1 2230a_100000735609_100000747473 [0,0,0,1,0,0|2,0,0]=3 6133 B9R1.85 NC(=O)CNCC1CC1 34a_100000735609_100000187820 [0,0,0,1,0,0|2,0,0]=3 6134 B9R1.85 NC(=O)CNCC1CO1 2230a_100000711301_100011216344 [0,0,0,1,0,0|3,0,0]=4 6135 B9R1.85 NC(=O)COCC1CC1 34a_100000211283_100000187820 [0,0,0,1,0,0|2,0,0]=3 6136 B9R1.85 NC(=O)COC[C@@H]1CO1 34a_100000757423_100000187820 [0,0,0,1,0,0|3,0,0]=4 6137 B9R1.85 NC(=O)CSCC1CC1 62a_100000747473_100000742324 [0,0,0,1,0,0|2,0,0]=3 6138 B9R1.85 NC(=O)CSCC1CC1 62a_100000756562_100000747473 [0,0,0,1,0,0|2,0,0]=3 6139 B9R1.85 NC(=O)CSCC1CO1 62a_100000747473_102125554688 [0,0,0,1,0,0|3,0,0]=4 6140 B9R1.85 NC(=O)CSCC1CO1 62a_102125554688_100000747473 [0,0,0,1,0,0|3,0,0]=4 6141 B9R1.85 NC(=O)CSCC1CS1 62a_100000031435_100000747473 [0,0,0,1,0,0|3,0,0]=4 6142 B9R1.85 NC(=O)CSCC1CS1 62a_100000747473_100000031435 [0,0,0,1,0,0|3,0,0]=4 6143 B9R1.85 NC(=O)CSC[C@@H]1CO1 62a_100000745022_100000747473 [0,0,0,1,0,0|3,0,0]=4 6144 B9R1.85 NC(=O)CSC[C@@H]1CO1 62a_100000747473_100000745022 [0,0,0,1,0,0|3,0,0]=4 6145 B9R1.85 O=C(O)CNCC1CC1 269956a_100016091260_100000742324 [0,0,0,1,0,0|2,0,0]=3 6146 B9R1.85 O=C(O)CNCC1CO1 269956a_100016091260_102125554688 [0,0,0,1,0,0|3,0,0]=4 6147 B9R1.85 O=C(O)CNCC1CS1 269956a_100016091260_100000031435 [0,0,0,1,0,0|3,0,0]=4 6148 B9R1.85 O=C(O)CNC[C@@H]1CO1 269956a_100016091260_100000745022 [0,0,0,1,0,0|3,0,0]=4 6149 B9R1.85 O=C(O)CONC1CC1 269956a_100000106656_100000211595 [0,0,0,1,0,0|3,0,0]=4 6150 B9R1.85 O=C([O-])CNCC1CC1 34a_100000735609_100020667443 [0,0,0,1,0,0|2,0,0]=3 6151 B9R1.85 O=C([O-])COCC1CC1 34a_100000211283_100020667443 [0,0,0,1,0,0|2,0,0]=3 6152 B9R1.85 O=C([O-])COC[C@@H]1CO1 34a_100000757423_100020667443 [0,0,0,1,0,0|3,0,0]=4 6153 B9R1.85 O=C([O-])CSCC1CC1 62a_100000756562_100020667443 [0,0,0,1,0,0|2,0,0]=3 6154 B9R1.85 O=C([O-])CSCC1CC1 62a_100020667443_100000742324 [0,0,0,1,0,0|2,0,0]=3 6155 B9R1.85 O=C([O-])CSCC1CO1 62a_100020667443_102125554688 [0,0,0,1,0,0|3,0,0]=4 6156 B9R1.85 O=C([O-])CSCC1CO1 62a_102125554688_100020667443 [0,0,0,1,0,0|3,0,0]=4 6157 B9R1.85 O=C([O-])CSCC1CS1 62a_100000031435_100020667443 [0,0,0,1,0,0|3,0,0]=4 6158 B9R1.85 O=C([O-])CSCC1CS1 62a_100020667443_100000031435 [0,0,0,1,0,0|3,0,0]=4 6159 B9R1.85 O=C([O-])CSC[C@@H]1CO1 62a_100000745022_100020667443 [0,0,0,1,0,0|3,0,0]=4 6160 B9R1.85 O=C([O-])CSC[C@@H]1CO1 62a_100020667443_100000745022 [0,0,0,1,0,0|3,0,0]=4 6161 B9R1.85 O=[N+]([O-])CNCC1CC1 34a_100000735609_100000761209 [0,0,0,1,0,0|3,0,0]=4 6162 B9R1.85 O=[N+]([O-])COCC1CC1 34a_100000211283_100000761209 [0,0,0,1,0,0|3,0,0]=4 6163 B9R1.85 O=[N+]([O-])CSCC1CC1 62a_100000756562_100000761209 [0,0,0,1,0,0|3,0,0]=4 6164 B9R1.85 [13CH3]C(=O)CSCC1CC1 1458a_200011316215_200025704644 [0,0,0,1,0,0|1,0,0]=2 6165 B9R1.96 CCN1CCC1C(=O)O 269956a_100000021838_100000210202 [0,0,0,1,0,0|2,0,0]=3 6166 B9R1.96 O=C(O)C1CCN1CF 269956a_100000021838_100015361967 [0,0,0,1,0,0|3,0,0]=4 6167 B6R0.6 C/C=C/CCOC 34a_100016278192_200000210301 [2,0,0,0,0,0|1,0,1]=4 6168 B6R0.6 C/C=C/CCO[13CH3] 34a_100016278192_200025704644 [2,0,0,0,0,0|1,0,1]=4 6169 B6R0.6 C/C=C/COCC 34a_100016270725_100000210202 [2,0,0,0,0,0|1,0,1]=4 6170 B6R0.6 C/C=C/COCC 34a_100121572206_100102629194 [2,0,0,0,0,0|1,0,1]=4 6171 B6R0.6 C/C=C/CSCC 62a_100000210202_100102629194 [2,0,0,0,0,0|1,0,1]=4 6172 B6R0.6 C/C=C/CSCC 62a_100102629194_100000210202 [2,0,0,0,0,0|1,0,1]=4 6173 B6R0.6 C=CCCCNC 2230a_100000700776_200000210301 [2,0,0,0,0,0|1,0,1]=4 6174 B6R0.6 C=CCCCNC 2230a_106832991635_100011713584 [2,0,0,0,0,0|1,0,1]=4 6175 B6R0.6 C=CCCCNC 34a_100000700776_200000210301 [2,0,0,0,0,0|1,0,1]=4 6176 B6R0.6 C=CCCCNC 34a_100102657272_100000757094 [2,0,0,0,0,0|1,0,1]=4 6177 B6R0.6 C=CCCCNC 7a_106832991635_100000757094 [2,0,0,0,0,0|1,0,1]=4 6178 B6R0.6 C=CCCCN[13CH3] 2230a_100000700776_200025704644 [2,0,0,0,0,0|1,0,1]=4 6179 B6R0.6 C=CCCCN[13CH3] 34a_100000700776_200025704644 [2,0,0,0,0,0|1,0,1]=4 6180 B6R0.6 C=CCCCOC 34a_100000758997_200000210301 [2,0,0,0,0,0|1,0,1]=4 6181 B6R0.6 C=CCCCOC 34a_100138415774_100000757094 [2,0,0,0,0,0|1,0,1]=4 6182 B6R0.6 C=CCCCOC 7a_100000758997_200000210301 [2,0,0,0,0,0|1,0,1]=4 6183 B6R0.6 C=CCCCO[13CH3] 34a_100000758997_200025704644 [2,0,0,0,0,0|1,0,1]=4 6184 B6R0.6 C=CCCCO[13CH3] 7a_100000758997_200025704644 [2,0,0,0,0,0|1,0,1]=4 6185 B6R0.6 C=CCCCSC 62a_100011713584_200000210301 [2,0,0,0,0,0|1,0,1]=4 6186 B6R0.6 C=CCCCSC 62a_200000210301_100000757094 [2,0,0,0,0,0|1,0,1]=4 6187 B6R0.6 C=CCCCS[13CH3] 62a_100011713584_200025704644 [2,0,0,0,0,0|1,0,1]=4 6188 B6R0.6 C=CCCCS[13CH3] 62a_200025704644_100000757094 [2,0,0,0,0,0|1,0,1]=4 6189 B6R0.6 C=CCCNCC 2230a_100015191253_100000210202 [2,0,0,0,0,0|1,0,1]=4 6190 B6R0.6 C=CCCNCC 2230a_100015525214_100000754431 [2,0,0,0,0,0|1,0,1]=4 6191 B6R0.6 C=CCCOCC 34a_100011205117_100000210202 [2,0,0,0,0,0|1,0,1]=4 6192 B6R0.6 C=CCCOCC 34a_100121572206_100000754431 [2,0,0,0,0,0|1,0,1]=4 6193 B6R0.6 C=CCCSCC 62a_100000210202_100000754431 [2,0,0,0,0,0|1,0,1]=4 6194 B6R0.6 C=CCCSCC 62a_100000754431_100000210202 [2,0,0,0,0,0|1,0,1]=4 6195 B6R0.6 C=CCNCCC 2230a_100020586998_100000210303 [2,0,0,0,0,0|1,0,1]=4 6196 B6R0.6 C=CCOCCC 34a_100000210258_100015514636 [2,0,0,0,0,0|1,0,1]=4 6197 B6R0.6 C=CCOCCC 34a_200000210373_100000210303 [2,0,0,0,0,0|1,0,1]=4 6198 B6R0.6 C=CCSCCC 62a_100000210303_100000210623 [2,0,0,0,0,0|1,0,1]=4 6199 B6R0.6 C=CCSCCC 62a_100000210623_100000210303 [2,0,0,0,0,0|1,0,1]=4 6200 B6R0.6 CC=CCNCC 2230a_100015525214_100000070051 [2,0,0,0,0,0|1,0,1]=4 6201 B6R0.6 CC=CCOCC 34a_100121572206_100000070051 [2,0,0,0,0,0|1,0,1]=4 6202 B6R0.6 CC=CCSCC 62a_100000070051_100000210202 [2,0,0,0,0,0|1,0,1]=4 6203 B6R0.6 CC=CCSCC 62a_100000210202_100000070051 [2,0,0,0,0,0|1,0,1]=4 6204 B6R0.6 CC=NNCCC 4a_100000740057_200000210099 [2,0,0,0,0,0|2,0,0]=4 6205 B6R0.6 CCCCCNC 2230a_100000209983_200000210301 [2,0,0,0,0,0|1,0,0]=3 6206 B6R0.6 CCCCCNC 2230a_106832991635_100000210326 [2,0,0,0,0,0|1,0,0]=3 6207 B6R0.6 CCCCCNC 34a_100102657272_100000718602 [2,0,0,0,0,0|1,0,0]=3 6208 B6R0.6 CCCCCNC 7a_106832991635_100000210326 [2,0,0,0,0,0|1,0,0]=3 6209 B6R0.6 CCCCCN[13CH3] 2230a_100000209983_200025704644 [2,0,0,0,0,0|1,0,0]=3 6210 B6R0.6 CCCCCOC 34a_100000210253_200000210301 [2,0,0,0,0,0|1,0,0]=3 6211 B6R0.6 CCCCCOC 34a_100138415774_100000718602 [2,0,0,0,0,0|1,0,0]=3 6212 B6R0.6 CCCCCOC 7a_100000210253_200000210301 [2,0,0,0,0,0|1,0,0]=3 6213 B6R0.6 CCCCCO[13CH3] 34a_100000210253_200025704644 [2,0,0,0,0,0|1,0,0]=3 6214 B6R0.6 CCCCCO[13CH3] 7a_100000210253_200025704644 [2,0,0,0,0,0|1,0,0]=3 6215 B6R0.6 CCCCCSC 62a_100000210326_200000210301 [2,0,0,0,0,0|1,0,0]=3 6216 B6R0.6 CCCCCSC 62a_200000210301_100000210326 [2,0,0,0,0,0|1,0,0]=3 6217 B6R0.6 CCCCCS[13CH3] 62a_100000210326_200025704644 [2,0,0,0,0,0|1,0,0]=3 6218 B6R0.6 CCCCCS[13CH3] 62a_200025704644_100000210326 [2,0,0,0,0,0|1,0,0]=3 6219 B6R0.6 CCCCNCC 2230a_100000102301_100000210202 [2,0,0,0,0,0|1,0,0]=3 6220 B6R0.6 CCCCNCC 2230a_100015525214_100000210211 [2,0,0,0,0,0|1,0,0]=3 6221 B6R0.6 CCCCNCC 7a_106832991798_100000210202 [2,0,0,0,0,0|1,0,0]=3 6222 B6R0.6 CCCCNCF 7a_106832991798_100015361967 [2,0,0,0,0,0|2,0,0]=4 6223 B6R0.6 CCCCOCC 34a_100000210227_100000210202 [2,0,0,0,0,0|1,0,0]=3 6224 B6R0.6 CCCCOCC 34a_100121572206_100000210210 [2,0,0,0,0,0|1,0,0]=3 6225 B6R0.6 CCCCOCC 7a_100000210227_100000210202 [2,0,0,0,0,0|1,0,0]=3 6226 B6R0.6 CCCCOCF 34a_100000210227_100015361967 [2,0,0,0,0,0|2,0,0]=4 6227 B6R0.6 CCCCOCF 7a_100000210227_100015361967 [2,0,0,0,0,0|2,0,0]=4 6228 B6R0.6 CCCCSCC 62a_100000210202_100000210210 [2,0,0,0,0,0|1,0,0]=3 6229 B6R0.6 CCCCSCC 62a_100000210211_100000210202 [2,0,0,0,0,0|1,0,0]=3 6230 B6R0.6 CCCCSCF 62a_100000210211_100015361967 [2,0,0,0,0,0|2,0,0]=4 6231 B6R0.6 CCCCSCF 62a_100015361967_100000210210 [2,0,0,0,0,0|2,0,0]=4 6232 B6R0.6 CCCNCCF 34a_100000724931_100000210303 [2,0,0,0,0,0|2,0,0]=4 6233 B6R0.6 CCCNCCO 2230a_100016997473_100000210303 [2,0,0,0,0,0|1,0,1]=4 6234 B6R0.6 CCCNCCO 34a_100016990907_100000210303 [2,0,0,0,0,0|1,0,1]=4 6235 B6R0.6 CCCOCC=O 34a_100000210258_200009817547 [2,0,0,0,0,0|1,0,0]=3 6236 B6R0.6 CCCOCCBr 34a_100000211926_100000210303 [2,0,0,0,0,0|2,0,0]=4 6237 B6R0.6 CCCOCCC 34a_100000210258_100000210303 [2,0,0,0,0,0|1,0,0]=3 6238 B6R0.6 CCCOCCF 34a_100000210258_100011217306 [2,0,0,0,0,0|2,0,0]=4 6239 B6R0.6 CCCOCCN 34a_100000210304_100000210303 [2,0,0,0,0,0|2,0,0]=4 6240 B6R0.6 CCCOCCO 34a_100000210258_100000211926 [2,0,0,0,0,0|1,0,1]=4 6241 B6R0.6 CCCOCSC 34a_100000210258_100011218213 [2,0,0,0,0,0|2,0,0]=4 6242 B6R0.6 CCCSCC=O 62a_100000210303_200015260668 [2,0,0,0,0,0|1,0,0]=3 6243 B6R0.6 CCCSCC=O 62a_200015260668_100000210303 [2,0,0,0,0,0|1,0,0]=3 6244 B6R0.6 CCCSCCC 62a_100000210303_100000210303 [2,0,0,0,0,0|1,0,0]=3 6245 B6R0.6 CCCSCCF 62a_100000210303_100011217306 [2,0,0,0,0,0|2,0,0]=4 6246 B6R0.6 CCCSCCF 62a_100011217306_100000210303 [2,0,0,0,0,0|2,0,0]=4 6247 B6R0.6 CCCSCCO 62a_100000210303_100000211926 [2,0,0,0,0,0|1,0,1]=4 6248 B6R0.6 CCCSCCO 62a_100000211926_100000210303 [2,0,0,0,0,0|1,0,1]=4 6249 B6R0.6 CCCSCOC 62a_100000210303_100000766300 [2,0,0,0,0,0|2,0,0]=4 6250 B6R0.6 CCCSCOC 62a_100000766300_100000210303 [2,0,0,0,0,0|2,0,0]=4 6251 B6R0.6 CCCSCSC 62a_100000210303_100011218213 [2,0,0,0,0,0|2,0,0]=4 6252 B6R0.6 CCCSCSC 62a_100011218213_100000210303 [2,0,0,0,0,0|2,0,0]=4 6253 B6R0.6 CCNCCCF 2230a_100015189416_100000210202 [2,0,0,0,0,0|2,0,0]=4 6254 B6R0.6 CCNCCCF 2230a_100015525214_100011934791 [2,0,0,0,0,0|2,0,0]=4 6255 B6R0.6 CCNCCCF 34a_100015189416_100000210202 [2,0,0,0,0,0|2,0,0]=4 6256 B6R0.6 CCNCCCO 2230a_100015525214_100000230001 [2,0,0,0,0,0|1,0,1]=4 6257 B6R0.6 CCNCCOC 2230a_100000209980_100000210202 [2,0,0,0,0,0|2,0,0]=4 6258 B6R0.6 CCNCCOC 2230a_100015525214_100011201679 [2,0,0,0,0,0|2,0,0]=4 6259 B6R0.6 CCNCCSC 2230a_100015525214_100000751147 [2,0,0,0,0,0|2,0,0]=4 6260 B6R0.6 CCNCCSC 2230a_100020590264_100000210202 [2,0,0,0,0,0|2,0,0]=4 6261 B6R0.6 CCOCCCBr 34a_100011217188_100000210202 [2,0,0,0,0,0|2,0,0]=4 6262 B6R0.6 CCOCCCCl 34a_100000230001_100000210202 [2,0,0,0,0,0|2,0,0]=4 6263 B6R0.6 CCOCCCF 34a_100000759539_100000210202 [2,0,0,0,0,0|2,0,0]=4 6264 B6R0.6 CCOCCCF 34a_100121572206_100011934791 [2,0,0,0,0,0|2,0,0]=4 6265 B6R0.6 CCOCCCN 34a_100000182051_100000210202 [2,0,0,0,0,0|2,0,0]=4 6266 B6R0.6 CCOCCCO 34a_100121572206_100000230001 [2,0,0,0,0,0|1,0,1]=4 6267 B6R0.6 CCOCCNC 2230a_102516460346_200000210301 [2,0,0,0,0,0|2,0,0]=4 6268 B6R0.6 CCOCCNC 2230a_106832991635_100011215890 [2,0,0,0,0,0|2,0,0]=4 6269 B6R0.6 CCOCCNC 34a_100102657272_100000210147 [2,0,0,0,0,0|2,0,0]=4 6270 B6R0.6 CCOCCNC 34a_102516460346_200000210301 [2,0,0,0,0,0|2,0,0]=4 6271 B6R0.6 CCOCCNC 7a_106832991635_100011215890 [2,0,0,0,0,0|2,0,0]=4 6272 B6R0.6 CCOCCN[13CH3] 2230a_102516460346_200025704644 [2,0,0,0,0,0|2,0,0]=4 6273 B6R0.6 CCOCCN[13CH3] 34a_102516460346_200025704644 [2,0,0,0,0,0|2,0,0]=4 6274 B6R0.6 CCOCCOC 34a_100000210136_200000210301 [2,0,0,0,0,0|2,0,0]=4 6275 B6R0.6 CCOCCOC 34a_100000210237_100000210202 [2,0,0,0,0,0|2,0,0]=4 6276 B6R0.6 CCOCCOC 34a_100121572206_100011201679 [2,0,0,0,0,0|2,0,0]=4 6277 B6R0.6 CCOCCOC 34a_100138415774_100000210147 [2,0,0,0,0,0|2,0,0]=4 6278 B6R0.6 CCOCCOC 7a_100000210136_200000210301 [2,0,0,0,0,0|2,0,0]=4 6279 B6R0.6 CCOCCO[13CH3] 34a_100000210136_200025704644 [2,0,0,0,0,0|2,0,0]=4 6280 B6R0.6 CCOCCO[13CH3] 7a_100000210136_200025704644 [2,0,0,0,0,0|2,0,0]=4 6281 B6R0.6 CCOCCSC 34a_100000230434_100000210202 [2,0,0,0,0,0|2,0,0]=4 6282 B6R0.6 CCOCCSC 34a_100121572206_100000212216 [2,0,0,0,0,0|2,0,0]=4 6283 B6R0.6 CCOCCSC 62a_100000210147_200000210301 [2,0,0,0,0,0|2,0,0]=4 6284 B6R0.6 CCOCCSC 62a_200000210301_100011215890 [2,0,0,0,0,0|2,0,0]=4 6285 B6R0.6 CCOCCSC 7a_100000230434_100000210202 [2,0,0,0,0,0|2,0,0]=4 6286 B6R0.6 CCOCCS[13CH3] 62a_100000210147_200025704644 [2,0,0,0,0,0|2,0,0]=4 6287 B6R0.6 CCOCCS[13CH3] 62a_200025704644_100011215890 [2,0,0,0,0,0|2,0,0]=4 6288 B6R0.6 CCOCSCC 62a_100000210202_100000739092 [2,0,0,0,0,0|2,0,0]=4 6289 B6R0.6 CCOCSCC 62a_100000739092_100000210202 [2,0,0,0,0,0|2,0,0]=4 6290 B6R0.6 CCSCCCF 62a_100000210202_100011934791 [2,0,0,0,0,0|2,0,0]=4 6291 B6R0.6 CCSCCCF 62a_100011934791_100000210202 [2,0,0,0,0,0|2,0,0]=4 6292 B6R0.6 CCSCCCO 62a_100000210202_100011215043 [2,0,0,0,0,0|1,0,1]=4 6293 B6R0.6 CCSCCCO 62a_100011215043_100000210202 [2,0,0,0,0,0|1,0,1]=4 6294 B6R0.6 CCSCCNC 2230a_100000106463_200000210301 [2,0,0,0,0,0|2,0,0]=4 6295 B6R0.6 CCSCCNC 2230a_106832991635_100000757381 [2,0,0,0,0,0|2,0,0]=4 6296 B6R0.6 CCSCCNC 34a_100102657272_100000757381 [2,0,0,0,0,0|2,0,0]=4 6297 B6R0.6 CCSCCNC 7a_106832991635_100000757381 [2,0,0,0,0,0|2,0,0]=4 6298 B6R0.6 CCSCCN[13CH3] 2230a_100000106463_200025704644 [2,0,0,0,0,0|2,0,0]=4 6299 B6R0.6 CCSCCOC 34a_100000212035_200000210301 [2,0,0,0,0,0|2,0,0]=4 6300 B6R0.6 CCSCCOC 34a_100138415774_100000757381 [2,0,0,0,0,0|2,0,0]=4 6301 B6R0.6 CCSCCOC 62a_100000210202_100000233755 [2,0,0,0,0,0|2,0,0]=4 6302 B6R0.6 CCSCCOC 62a_100000233755_100000210202 [2,0,0,0,0,0|2,0,0]=4 6303 B6R0.6 CCSCCOC 7a_100000212035_200000210301 [2,0,0,0,0,0|2,0,0]=4 6304 B6R0.6 CCSCCO[13CH3] 34a_100000212035_200025704644 [2,0,0,0,0,0|2,0,0]=4 6305 B6R0.6 CCSCCO[13CH3] 7a_100000212035_200025704644 [2,0,0,0,0,0|2,0,0]=4 6306 B6R0.6 CCSCCSC 62a_100000210202_100000751147 [2,0,0,0,0,0|2,0,0]=4 6307 B6R0.6 CCSCCSC 62a_100000212216_100000210202 [2,0,0,0,0,0|2,0,0]=4 6308 B6R0.6 CCSCCSC 62a_100000757381_200000210301 [2,0,0,0,0,0|2,0,0]=4 6309 B6R0.6 CCSCCSC 62a_200000210301_100000757381 [2,0,0,0,0,0|2,0,0]=4 6310 B6R0.6 CCSCCS[13CH3] 62a_100000757381_200025704644 [2,0,0,0,0,0|2,0,0]=4 6311 B6R0.6 CCSCCS[13CH3] 62a_200025704644_100000757381 [2,0,0,0,0,0|2,0,0]=4 6312 B6R0.6 CNCCCC=O 2230a_106832991635_200011292268 [2,0,0,0,0,0|1,0,0]=3 6313 B6R0.6 CNCCCC=O 7a_106832991635_200011292268 [2,0,0,0,0,0|1,0,0]=3 6314 B6R0.6 CNCCCCF 2230a_106832991635_100000729493 [2,0,0,0,0,0|2,0,0]=4 6315 B6R0.6 CNCCCCF 34a_100102657272_100000729493 [2,0,0,0,0,0|2,0,0]=4 6316 B6R0.6 CNCCCCF 7a_106832991635_100000729493 [2,0,0,0,0,0|2,0,0]=4 6317 B6R0.6 CNCCCCO 2230a_100000750430_200000210301 [2,0,0,0,0,0|1,0,1]=4 6318 B6R0.6 CNCCCCO 2230a_106832991635_100000210776 [2,0,0,0,0,0|1,0,1]=4 6319 B6R0.6 CNCCCCO 34a_100000750430_200000210301 [2,0,0,0,0,0|1,0,1]=4 6320 B6R0.6 CNCCCCO 34a_100102657272_100011216708 [2,0,0,0,0,0|1,0,1]=4 6321 B6R0.6 CNCCCCO 7a_106832991635_100000210776 [2,0,0,0,0,0|1,0,1]=4 6322 B6R0.6 CNCCCOC 2230a_106832991635_100000740836 [2,0,0,0,0,0|2,0,0]=4 6323 B6R0.6 CNCCCOC 34a_100000213112_200000210301 [2,0,0,0,0,0|2,0,0]=4 6324 B6R0.6 CNCCCOC 34a_100102657272_100000740836 [2,0,0,0,0,0|2,0,0]=4 6325 B6R0.6 CNCCCOC 34a_100150723488_200000210301 [2,0,0,0,0,0|2,0,0]=4 6326 B6R0.6 CNCCCOC 7a_106832991635_100000740836 [2,0,0,0,0,0|2,0,0]=4 6327 B6R0.6 CNCCCO[13CH3] 34a_100000213112_200025704644 [2,0,0,0,0,0|2,0,0]=4 6328 B6R0.6 CNCCCSC 2230a_100000749238_200000210301 [2,0,0,0,0,0|2,0,0]=4 6329 B6R0.6 COCCCCBr 34a_100011216708_200000210301 [2,0,0,0,0,0|2,0,0]=4 6330 B6R0.6 COCCCCCl 34a_100000210776_200000210301 [2,0,0,0,0,0|2,0,0]=4 6331 B6R0.6 COCCCCCl 7a_100000210776_200000210301 [2,0,0,0,0,0|2,0,0]=4 6332 B6R0.6 COCCCCF 34a_100011995726_200000210301 [2,0,0,0,0,0|2,0,0]=4 6333 B6R0.6 COCCCCF 34a_100138415774_100000729493 [2,0,0,0,0,0|2,0,0]=4 6334 B6R0.6 COCCCCF 7a_100011995726_200000210301 [2,0,0,0,0,0|2,0,0]=4 6335 B6R0.6 COCCCCI 34a_200012148704_200000210301 [2,0,0,0,0,0|2,0,0]=4 6336 B6R0.6 COCCCCN 34a_100000750430_200000210301 [2,0,0,0,0,0|2,0,0]=4 6337 B6R0.6 COCCCCO 34a_100138415774_100011216708 [2,0,0,0,0,0|1,0,1]=4 6338 B6R0.6 COCCCN[13CH3] 34a_100150723488_200025704644 [2,0,0,0,0,0|2,0,0]=4 6339 B6R0.6 COCCCOC 34a_100000740835_200000210301 [2,0,0,0,0,0|2,0,0]=4 6340 B6R0.6 COCCCOC 34a_100138415774_100000740836 [2,0,0,0,0,0|2,0,0]=4 6341 B6R0.6 COCCCO[13CH3] 34a_100000740835_200025704644 [2,0,0,0,0,0|2,0,0]=4 6342 B6R0.6 COCCCSC 34a_100000690336_200000210301 [2,0,0,0,0,0|2,0,0]=4 6343 B6R0.6 COCCCSC 62a_100000709357_200000210301 [2,0,0,0,0,0|2,0,0]=4 6344 B6R0.6 COCCCSC 62a_200000210301_100000709357 [2,0,0,0,0,0|2,0,0]=4 6345 B6R0.6 COCCCSC 7a_100000690336_200000210301 [2,0,0,0,0,0|2,0,0]=4 6346 B6R0.6 COCCCS[13CH3] 62a_100000709357_200025704644 [2,0,0,0,0,0|2,0,0]=4 6347 B6R0.6 COCCCS[13CH3] 62a_200025704644_100000709357 [2,0,0,0,0,0|2,0,0]=4 6348 B6R0.6 COCSCC=O 62a_100000766300_200015260668 [2,0,0,0,0,0|2,0,0]=4 6349 B6R0.6 COCSCC=O 62a_200015260668_100000766300 [2,0,0,0,0,0|2,0,0]=4 6350 B6R0.6 CSCCCC=O 62a_200000210301_200011292268 [2,0,0,0,0,0|1,0,0]=3 6351 B6R0.6 CSCCCC=O 62a_200011292268_200000210301 [2,0,0,0,0,0|1,0,0]=3 6352 B6R0.6 CSCCCCF 62a_100000729493_200000210301 [2,0,0,0,0,0|2,0,0]=4 6353 B6R0.6 CSCCCCF 62a_200000210301_100000729493 [2,0,0,0,0,0|2,0,0]=4 6354 B6R0.6 CSCCCCO 62a_100000210776_200000210301 [2,0,0,0,0,0|1,0,1]=4 6355 B6R0.6 CSCCCCO 62a_200000210301_100000210776 [2,0,0,0,0,0|1,0,1]=4 6356 B6R0.6 CSCCCN[13CH3] 2230a_100000749238_200025704644 [2,0,0,0,0,0|2,0,0]=4 6357 B6R0.6 CSCCCO[13CH3] 34a_100000690336_200025704644 [2,0,0,0,0,0|2,0,0]=4 6358 B6R0.6 CSCCCO[13CH3] 7a_100000690336_200025704644 [2,0,0,0,0,0|2,0,0]=4 6359 B6R0.6 CSCSCC=O 62a_100011218213_200015260668 [2,0,0,0,0,0|2,0,0]=4 6360 B6R0.6 CSCSCC=O 62a_200015260668_100011218213 [2,0,0,0,0,0|2,0,0]=4 6361 B6R0.6 NCCOCC=O 34a_100000210304_200009817547 [2,0,0,0,0,0|2,0,0]=4 6362 B6R0.6 O=CCNCCF 34a_100000724931_200009817547 [2,0,0,0,0,0|2,0,0]=4 6363 B6R0.6 O=CCNCCO 2230a_100016997473_200015260668 [2,0,0,0,0,0|2,0,0]=4 6364 B6R0.6 O=CCNCCO 34a_100016990907_200009817547 [2,0,0,0,0,0|2,0,0]=4 6365 B6R0.6 O=CCOCCBr 34a_100000211926_200009817547 [2,0,0,0,0,0|2,0,0]=4 6366 B6R0.6 O=CCSCCF 62a_100011217306_200015260668 [2,0,0,0,0,0|2,0,0]=4 6367 B6R0.6 O=CCSCCF 62a_200015260668_100011217306 [2,0,0,0,0,0|2,0,0]=4 6368 B6R0.6 O=CCSCCO 62a_100000211926_200015260668 [2,0,0,0,0,0|2,0,0]=4 6369 B6R0.6 O=CCSCCO 62a_200015260668_100000211926 [2,0,0,0,0,0|2,0,0]=4 6370 B6R0.6 [13CH3]NCCCCO 2230a_100000750430_200025704644 [2,0,0,0,0,0|1,0,1]=4 6371 B6R0.6 [13CH3]NCCCCO 34a_100000750430_200025704644 [2,0,0,0,0,0|1,0,1]=4 6372 B6R0.6 [13CH3]OCCCCBr 34a_100011216708_200025704644 [2,0,0,0,0,0|2,0,0]=4 6373 B6R0.6 [13CH3]OCCCCCl 34a_100000210776_200025704644 [2,0,0,0,0,0|2,0,0]=4 6374 B6R0.6 [13CH3]OCCCCCl 7a_100000210776_200025704644 [2,0,0,0,0,0|2,0,0]=4 6375 B6R0.6 [13CH3]OCCCCF 34a_100011995726_200025704644 [2,0,0,0,0,0|2,0,0]=4 6376 B6R0.6 [13CH3]OCCCCF 7a_100011995726_200025704644 [2,0,0,0,0,0|2,0,0]=4 6377 B6R0.6 [13CH3]OCCCCI 34a_200012148704_200025704644 [2,0,0,0,0,0|2,0,0]=4 6378 B6R0.6 [13CH3]OCCCCN 34a_100000750430_200025704644 [2,0,0,0,0,0|2,0,0]=4 6379 B6R0.6 [13CH3]SCCCC=O 62a_200011292268_200025704644 [2,0,0,0,0,0|1,0,0]=3 6380 B6R0.6 [13CH3]SCCCC=O 62a_200025704644_200011292268 [2,0,0,0,0,0|1,0,0]=3 6381 B6R0.6 [13CH3]SCCCCF 62a_100000729493_200025704644 [2,0,0,0,0,0|2,0,0]=4 6382 B6R0.6 [13CH3]SCCCCF 62a_200025704644_100000729493 [2,0,0,0,0,0|2,0,0]=4 6383 B6R0.6 [13CH3]SCCCCO 62a_100000210776_200025704644 [2,0,0,0,0,0|1,0,1]=4 6384 B6R0.6 [13CH3]SCCCCO 62a_200025704644_100000210776 [2,0,0,0,0,0|1,0,1]=4 6385 B6R0.4 C#CCCC(=O)C 1458a_100000070787_100000753159 [2,0,0,0,0,0|0,0,2]=4 6386 B6R0.4 C#CCCC(=O)C 1458a_100000692101_200000210301 [2,0,0,0,0,0|0,0,2]=4 6387 B6R0.4 C#CCCC(=O)[13CH3] 1458a_100000692101_200025704644 [2,0,0,0,0,0|0,0,2]=4 6388 B6R0.4 C/C=C/CC(=O)C 1458a_100000070787_100102629194 [2,0,0,0,0,0|0,0,2]=4 6389 B6R0.4 C=C(C)CCNC 2230a_106832991635_100000730704 [2,0,0,0,0,0|2,0,0]=4 6390 B6R0.4 C=C(C)CCNC 34a_100102657272_100000730704 [2,0,0,0,0,0|2,0,0]=4 6391 B6R0.4 C=C(C)CCNC 7a_106832991635_100000730704 [2,0,0,0,0,0|2,0,0]=4 6392 B6R0.4 C=C(C)CCOC 34a_100000764851_200000210301 [2,0,0,0,0,0|2,0,0]=4 6393 B6R0.4 C=C(C)CCOC 34a_100138415774_100000730704 [2,0,0,0,0,0|2,0,0]=4 6394 B6R0.4 C=C(C)CCO[13CH3] 34a_100000764851_200025704644 [2,0,0,0,0,0|2,0,0]=4 6395 B6R0.4 C=C(C)CCSC 62a_100000730704_200000210301 [2,0,0,0,0,0|2,0,0]=4 6396 B6R0.4 C=C(C)CCSC 62a_200000210301_100000730704 [2,0,0,0,0,0|2,0,0]=4 6397 B6R0.4 C=C(C)CCS[13CH3] 62a_100000730704_200025704644 [2,0,0,0,0,0|2,0,0]=4 6398 B6R0.4 C=C(C)CCS[13CH3] 62a_200025704644_100000730704 [2,0,0,0,0,0|2,0,0]=4 6399 B6R0.4 C=C(C)CNCC 2230a_100015525214_100000748629 [2,0,0,0,0,0|2,0,0]=4 6400 B6R0.4 C=C(C)COCC 34a_100000210245_100000210202 [2,0,0,0,0,0|2,0,0]=4 6401 B6R0.4 C=C(C)COCC 34a_100121572206_100000748629 [2,0,0,0,0,0|2,0,0]=4 6402 B6R0.4 C=C(C)CSCC 62a_100000210202_100000211660 [2,0,0,0,0,0|2,0,0]=4 6403 B6R0.4 C=C(C)CSCC 62a_100000748629_100000210202 [2,0,0,0,0,0|2,0,0]=4 6404 B6R0.4 C=CCCC(=O)C 1458a_100000070787_100000754431 [2,0,0,0,0,0|0,0,2]=4 6405 B6R0.4 C=CCCC(=O)C 1458a_100000749702_200000210301 [2,0,0,0,0,0|0,0,2]=4 6406 B6R0.4 C=CCCC(=O)[13CH3] 1458a_100000749702_200025704644 [2,0,0,0,0,0|0,0,2]=4 6407 B6R0.4 CC#CCC(=O)C 1458a_100000070787_100000748600 [2,0,0,0,0,0|0,0,2]=4 6408 B6R0.4 CC(=O)CCC#N 1458a_100000070787_100011215226 [2,0,0,0,0,0|1,0,1]=4 6409 B6R0.4 CC(=O)CCC#N 1458a_100011934036_200000210301 [2,0,0,0,0,0|1,0,1]=4 6410 B6R0.4 CC(=O)CCCF 1458a_100000070787_100011934791 [2,0,0,0,0,0|1,0,0]=3 6411 B6R0.4 CC(=O)CCCO 1458a_100000070787_100011215043 [2,0,0,0,0,0|1,0,0]=3 6412 B6R0.4 CC(=O)CCO[13CH3] 34a_100000759926_200025704644 [2,0,0,0,0,0|1,0,0]=3 6413 B6R0.4 CC(=O)CCO[13CH3] 7a_100000759926_200025704644 [2,0,0,0,0,0|1,0,0]=3 6414 B6R0.4 CC(=O)CCS[13CH3] 62a_100000053229_200025704644 [2,0,0,0,0,0|1,0,0]=3 6415 B6R0.4 CC(=O)CCS[13CH3] 62a_200025704644_100000053229 [2,0,0,0,0,0|1,0,0]=3 6416 B6R0.4 CC(=O)COCF 34a_100000211253_100015361967 [2,0,0,0,0,0|2,0,0]=4 6417 B6R0.4 CC(=O)NCCF 11a_100000724931_100015343762 [2,0,0,0,0,0|2,0,0]=4 6418 B6R0.4 CC(=O)NCCF 1626a_100000724931_100015343762 [2,0,0,0,0,0|2,0,0]=4 6419 B6R0.4 CC(=O)NCCF 240690a_100000724931_100015343762 [2,0,0,0,0,0|2,0,0]=4 6420 B6R0.4 CC(=O)NCCF 527a_100000724931_100103153847 [2,0,0,0,0,0|2,0,0]=4 6421 B6R0.4 CC(=O)NCCO 240690a_100000210304_100015343762 [2,0,0,0,0,0|2,0,0]=4 6422 B6R0.4 CC(=O)NCCO 527a_100000210304_100103153847 [2,0,0,0,0,0|2,0,0]=4 6423 B6R0.4 CC(=O)OCS[13CH3] 62a_100000076356_200025704644 [2,0,0,0,0,0|2,0,0]=4 6424 B6R0.4 CC(=O)OCS[13CH3] 62a_200025704644_100000076356 [2,0,0,0,0,0|2,0,0]=4 6425 B6R0.4 CC=CCC(=O)C 1458a_100000070787_100000070051 [2,0,0,0,0,0|0,0,2]=4 6426 B6R0.4 CC=CCC(=O)C 1458a_100121576822_200000210301 [2,0,0,0,0,0|0,0,2]=4 6427 B6R0.4 CC=CCC(=O)[13CH3] 1458a_100121576822_200025704644 [2,0,0,0,0,0|0,0,2]=4 6428 B6R0.4 CCC#CC(=O)C 1458a_100011827653_200000210301 [2,0,0,0,0,0|0,0,2]=4 6429 B6R0.4 CCC#CC(=O)[13CH3] 1458a_100011827653_200025704644 [2,0,0,0,0,0|0,0,2]=4 6430 B6R0.4 CCC=CC(=O)C 1458a_100000212282_200000210301 [2,0,0,0,0,0|0,0,2]=4 6431 B6R0.4 CCC=CC(=O)[13CH3] 1458a_100000212282_200025704644 [2,0,0,0,0,0|0,0,2]=4 6432 B6R0.4 CCCCC(=O)C 1458a_100000070787_100000210211 [2,0,0,0,0,0|0,0,0]=2 6433 B6R0.4 CCCCC(=O)C 1458a_100000210183_200000210301 [2,0,0,0,0,0|0,0,0]=2 6434 B6R0.4 CCCCC(=O)[13CH3] 1458a_100000210183_200025704644 [2,0,0,0,0,0|0,0,0]=2 6435 B6R0.4 CCCCN(C)C 2230a_100000207549_200000210301 [2,0,0,0,0,0|2,0,0]=4 6436 B6R0.4 CCCCN(C)C 2230a_100102631434_100000210211 [2,0,0,0,0,0|2,0,0]=4 6437 B6R0.4 CCCCN(C)C 269982a_100000207549_200000210301 [2,0,0,0,0,0|2,0,0]=4 6438 B6R0.4 CCCCN(C)C 269982a_100102631434_100000210211 [2,0,0,0,0,0|2,0,0]=4 6439 B6R0.4 CCCCN(C)[13CH3] 2230a_100000207549_200025704644 [2,0,0,0,0,0|2,0,0]=4 6440 B6R0.4 CCCCN(C)[13CH3] 269982a_100000207549_200025704644 [2,0,0,0,0,0|2,0,0]=4 6441 B6R0.4 CCCNC(=O)C 11a_100020643023_100015343762 [2,0,0,0,0,0|1,0,0]=3 6442 B6R0.4 CCCNC(=O)C 1626a_100020643023_100015343762 [2,0,0,0,0,0|1,0,0]=3 6443 B6R0.4 CCCNC(=O)C 240690a_100020643023_100015343762 [2,0,0,0,0,0|1,0,0]=3 6444 B6R0.4 CCCNC(=O)C 527a_100020643023_100103153847 [2,0,0,0,0,0|1,0,0]=3 6445 B6R0.4 CCNCC(=O)N 2230a_100000711301_100000210202 [2,0,0,0,0,0|2,0,0]=4 6446 B6R0.4 CCNCC(=O)N 2230a_100015525214_100000747473 [2,0,0,0,0,0|2,0,0]=4 6447 B6R0.4 CCNCC(=O)O 269956a_100016091260_100000210202 [2,0,0,0,0,0|2,0,0]=4 6448 B6R0.4 CCNNC(=O)C 22a_100000756455_100000070787 [2,0,0,0,0,0|2,0,0]=4 6449 B6R0.4 CCOCC(=O)C 1458a_100000211967_200000210301 [2,0,0,0,0,0|1,0,0]=3 6450 B6R0.4 CCOCC(=O)C 34a_100000211253_100000210202 [2,0,0,0,0,0|1,0,0]=3 6451 B6R0.4 CCOCC(=O)N 34a_100121572206_100000187820 [2,0,0,0,0,0|2,0,0]=4 6452 B6R0.4 CCOCC(=O)[13CH3] 1458a_100000211967_200025704644 [2,0,0,0,0,0|1,0,0]=3 6453 B6R0.4 CCOCC(=O)[O-] 34a_100121572206_100020667443 [2,0,0,0,0,0|2,0,0]=4 6454 B6R0.4 CCSCC(=O)C 1458a_100000230394_200000210301 [2,0,0,0,0,0|1,0,0]=3 6455 B6R0.4 CCSCC(=O)N 62a_100000210202_100000747473 [2,0,0,0,0,0|2,0,0]=4 6456 B6R0.4 CCSCC(=O)N 62a_100000747473_100000210202 [2,0,0,0,0,0|2,0,0]=4 6457 B6R0.4 CCSCC(=O)[13CH3] 1458a_100000230394_200025704644 [2,0,0,0,0,0|1,0,0]=3 6458 B6R0.4 CCSCC(=O)[O-] 62a_100000210202_100020667443 [2,0,0,0,0,0|2,0,0]=4 6459 B6R0.4 CCSCC(=O)[O-] 62a_100020667443_100000210202 [2,0,0,0,0,0|2,0,0]=4 6460 B6R0.4 CNCCC(=O)C 7a_106832991635_100000053229 [2,0,0,0,0,0|1,0,0]=3 6461 B6R0.4 CNCCC(=O)N 2230a_106832991635_100000744528 [2,0,0,0,0,0|2,0,0]=4 6462 B6R0.4 CNCCC(=O)N 34a_100102657272_100000731001 [2,0,0,0,0,0|2,0,0]=4 6463 B6R0.4 CNCCC(=O)N 7a_106832991635_100000744528 [2,0,0,0,0,0|2,0,0]=4 6464 B6R0.4 CNCOC(=O)C 34a_100102657272_100009813279 [2,0,0,0,0,0|2,0,0]=4 6465 B6R0.4 COCCC(=O)C 1458a_100000070787_100000233755 [2,0,0,0,0,0|1,0,0]=3 6466 B6R0.4 COCCC(=O)C 1458a_100000749529_200000210301 [2,0,0,0,0,0|1,0,0]=3 6467 B6R0.4 COCCC(=O)C 34a_100000759926_200000210301 [2,0,0,0,0,0|1,0,0]=3 6468 B6R0.4 COCCC(=O)C 7a_100000759926_200000210301 [2,0,0,0,0,0|1,0,0]=3 6469 B6R0.4 COCCC(=O)N 34a_100000757172_200000210301 [2,0,0,0,0,0|2,0,0]=4 6470 B6R0.4 COCCC(=O)N 34a_100138415774_100000731001 [2,0,0,0,0,0|2,0,0]=4 6471 B6R0.4 COCCC(=O)N 7a_100000757172_200000210301 [2,0,0,0,0,0|2,0,0]=4 6472 B6R0.4 COCCC(=O)[13CH3] 1458a_100000749529_200025704644 [2,0,0,0,0,0|1,0,0]=3 6473 B6R0.4 COCOC(=O)C 34a_100138415774_100009813279 [2,0,0,0,0,0|2,0,0]=4 6474 B6R0.4 CSCCC(=O)C 1458a_100000070787_100000751147 [2,0,0,0,0,0|1,0,0]=3 6475 B6R0.4 CSCCC(=O)C 1458a_100000174002_200000210301 [2,0,0,0,0,0|1,0,0]=3 6476 B6R0.4 CSCCC(=O)C 62a_100000053229_200000210301 [2,0,0,0,0,0|1,0,0]=3 6477 B6R0.4 CSCCC(=O)C 62a_200000210301_100000053229 [2,0,0,0,0,0|1,0,0]=3 6478 B6R0.4 CSCCC(=O)N 62a_100000744528_200000210301 [2,0,0,0,0,0|2,0,0]=4 6479 B6R0.4 CSCCC(=O)N 62a_200000210301_100000744528 [2,0,0,0,0,0|2,0,0]=4 6480 B6R0.4 CSCCC(=O)[13CH3] 1458a_100000174002_200025704644 [2,0,0,0,0,0|1,0,0]=3 6481 B6R0.4 CSCOC(=O)C 62a_100000076356_200000210301 [2,0,0,0,0,0|2,0,0]=4 6482 B6R0.4 CSCOC(=O)C 62a_200000210301_100000076356 [2,0,0,0,0,0|2,0,0]=4 6483 B6R0.4 [13CH3]C(=O)CCC#N 1458a_100011934036_200025704644 [2,0,0,0,0,0|1,0,1]=4 6484 B6R0.4 [13CH3]OCCC(=O)N 34a_100000757172_200025704644 [2,0,0,0,0,0|2,0,0]=4 6485 B6R0.4 [13CH3]OCCC(=O)N 7a_100000757172_200025704644 [2,0,0,0,0,0|2,0,0]=4 6486 B6R0.4 [13CH3]SCCC(=O)N 62a_100000744528_200025704644 [2,0,0,0,0,0|2,0,0]=4 6487 B6R0.4 [13CH3]SCCC(=O)N 62a_200025704644_100000744528 [2,0,0,0,0,0|2,0,0]=4 6488 B8R0.1 C/C=C/C(C)OCCC 34a_200102604097_100000210303 [1,1,0,0,0,0|1,0,1]=4 6489 B8R0.1 C/C=C/CC(=O)CCC 1458a_100000211992_100102629194 [1,1,0,0,0,0|0,0,2]=4 6490 B8R0.1 C/C=C/CN(C)CCC 269982a_100000747261_100102629194 [1,1,0,0,0,0|1,0,1]=4 6491 B8R0.1 C=CCC(=O)CCCC 1458a_100000210183_100000210623 [1,1,0,0,0,0|0,0,2]=4 6492 B8R0.1 C=CCC(=O)CCCC 1458a_100000210193_100000210211 [1,1,0,0,0,0|0,0,2]=4 6493 B8R0.1 C=CCC(C)COCC 34a_100009832082_100000210202 [1,1,0,0,0,0|1,0,1]=4 6494 B8R0.1 C=CCC(C)COCC 7a_100009832082_100000210202 [1,1,0,0,0,0|1,0,1]=4 6495 B8R0.1 C=CCCC(=O)CCC 1458a_100000211992_100000754431 [1,1,0,0,0,0|0,0,2]=4 6496 B8R0.1 C=CCCC(=O)CCC 1458a_100000749702_100000210303 [1,1,0,0,0,0|0,0,2]=4 6497 B8R0.1 C=CCCC(C)NCC 270004a_100015525214_100000762624 [1,1,0,0,0,0|1,0,1]=4 6498 B8R0.1 C=CCCC(C)OCC 34a_100000765329_100000210202 [1,1,0,0,0,0|1,0,1]=4 6499 B8R0.1 C=CCCC(C)OCC 7a_100000765329_100000210202 [1,1,0,0,0,0|1,0,1]=4 6500 B8R0.1 C=CCCN(C)CCC 2230a_100000747261_100000754431 [1,1,0,0,0,0|1,0,1]=4 6501 B8R0.1 C=CCCN(C)CCC 2230a_100020639649_100000210303 [1,1,0,0,0,0|1,0,1]=4 6502 B8R0.1 C=CCCN(C)CCC 269982a_100000747261_100000754431 [1,1,0,0,0,0|1,0,1]=4 6503 B8R0.1 C=CCCN(C)CCC 269982a_100020639649_100000210303 [1,1,0,0,0,0|1,0,1]=4 6504 B8R0.1 C=CCN(C)CCCC 2230a_100000207549_100000210623 [1,1,0,0,0,0|1,0,1]=4 6505 B8R0.1 C=CCN(C)CCCC 2230a_100000225617_100000210211 [1,1,0,0,0,0|1,0,1]=4 6506 B8R0.1 C=CCN(C)CCCC 269982a_100000207549_100000210623 [1,1,0,0,0,0|1,0,1]=4 6507 B8R0.1 C=CCN(C)CCCC 269982a_100000225617_100000210211 [1,1,0,0,0,0|1,0,1]=4 6508 B8R0.1 C=CCNC(C)CCC 2230a_100000741246_100000210623 [1,1,0,0,0,0|1,0,1]=4 6509 B8R0.1 C=CCNC(C)CCC 2230a_100020586998_100000766640 [1,1,0,0,0,0|1,0,1]=4 6510 B8R0.1 C=CCNC(C)CCC 270004a_100020586998_100000211909 [1,1,0,0,0,0|1,0,1]=4 6511 B8R0.1 C=CCOC(C)CCC 34a_100000764384_100015514636 [1,1,0,0,0,0|1,0,1]=4 6512 B8R0.1 C=CCOC(C)CCC 34a_200000210373_100000766640 [1,1,0,0,0,0|1,0,1]=4 6513 B8R0.1 C=CCOC(C)CCC 7a_100000764384_100015514636 [1,1,0,0,0,0|1,0,1]=4 6514 B8R0.1 C=CCSC(C)CCC 62a_100000210623_100000766640 [1,1,0,0,0,0|1,0,1]=4 6515 B8R0.1 C=CCSC(C)CCC 62a_100000766640_100000210623 [1,1,0,0,0,0|1,0,1]=4 6516 B8R0.1 C=CC[C@@H](C)OCCC 34a_100000731007_100000210303 [1,1,0,0,0,0|1,0,1]=4 6517 B8R0.1 C=CC[C@@H](C)OCCC 7a_100000731007_100000210303 [1,1,0,0,0,0|1,0,1]=4 6518 B8R0.1 C=CC[C@@H](N)COCC 34a_100020615467_100000210202 [1,1,0,0,0,0|1,0,1]=4 6519 B8R0.1 CC(CCBr)OCC=O 34a_100012276601_200009817547 [1,1,0,0,0,0|2,0,0]=4 6520 B8R0.1 CC(CCO)SCC=O 62a_100009893172_200015260668 [1,1,0,0,0,0|2,0,0]=4 6521 B8R0.1 CC(CCO)SCC=O 62a_200015260668_100009893172 [1,1,0,0,0,0|2,0,0]=4 6522 B8R0.1 CC=CC(=O)CCCC 1458a_100000210699_100000210211 [1,1,0,0,0,0|0,0,2]=4 6523 B8R0.1 CC=CCC(=O)CCC 1458a_100000211992_100000070051 [1,1,0,0,0,0|0,0,2]=4 6524 B8R0.1 CC=CCC(=O)CCC 1458a_100121576822_100000210303 [1,1,0,0,0,0|0,0,2]=4 6525 B8R0.1 CC=CCN(C)CCC 2230a_100000747261_100000070051 [1,1,0,0,0,0|1,0,1]=4 6526 B8R0.1 CCCC(=O)CCOC 1458a_100000211992_100000233755 [1,1,0,0,0,0|1,0,1]=4 6527 B8R0.1 CCCC(=O)CCOC 1458a_100000749529_100000210303 [1,1,0,0,0,0|1,0,1]=4 6528 B8R0.1 CCCC(=O)CCSC 1458a_100000174002_100000210303 [1,1,0,0,0,0|1,0,1]=4 6529 B8R0.1 CCCC(=O)CCSC 1458a_100000211992_100000751147 [1,1,0,0,0,0|1,0,1]=4 6530 B8R0.1 CCCC(C)CCOC 34a_100011217855_200000210301 [1,1,0,0,0,0|1,0,0]=3 6531 B8R0.1 CCCC(C)CCOC 7a_100011217855_200000210301 [1,1,0,0,0,0|1,0,0]=3 6532 B8R0.1 CCCC(C)CCO[13CH3] 34a_100011217855_200025704644 [1,1,0,0,0,0|1,0,0]=3 6533 B8R0.1 CCCC(C)CCO[13CH3] 7a_100011217855_200025704644 [1,1,0,0,0,0|1,0,0]=3 6534 B8R0.1 CCCC(C)CNCC 2230a_100015525214_100011216630 [1,1,0,0,0,0|1,0,1]=4 6535 B8R0.1 CCCC(C)CNCC 270004a_100015525214_100000243154 [1,1,0,0,0,0|1,0,1]=4 6536 B8R0.1 CCCC(C)COCC 34a_100000688023_100000210202 [1,1,0,0,0,0|1,0,1]=4 6537 B8R0.1 CCCC(C)COCC 34a_100121572206_100011216630 [1,1,0,0,0,0|1,0,1]=4 6538 B8R0.1 CCCC(C)COCC 7a_100000688023_100000210202 [1,1,0,0,0,0|1,0,1]=4 6539 B8R0.1 CCCC(C)CSCC 62a_100000210202_100011216630 [1,1,0,0,0,0|1,0,1]=4 6540 B8R0.1 CCCC(C)CSCC 62a_100011216630_100000210202 [1,1,0,0,0,0|1,0,1]=4 6541 B8R0.1 CCCC(C)NCC=O 2230a_100000741246_200015260668 [1,1,0,0,0,0|1,0,0]=3 6542 B8R0.1 CCCC(C)NCOC 2230a_100000741246_100000766300 [1,1,0,0,0,0|2,0,0]=4 6543 B8R0.1 CCCC(C)NCSC 2230a_100000741246_100011218213 [1,1,0,0,0,0|2,0,0]=4 6544 B8R0.1 CCCC(C)OCC=O 34a_100000764384_200009817547 [1,1,0,0,0,0|1,0,0]=3 6545 B8R0.1 CCCC(C)OCC=O 7a_100000764384_200015260668 [1,1,0,0,0,0|1,0,0]=3 6546 B8R0.1 CCCC(C)OCSC 34a_100000764384_100011218213 [1,1,0,0,0,0|2,0,0]=4 6547 B8R0.1 CCCC(C)SCC=O 62a_100000766640_200015260668 [1,1,0,0,0,0|1,0,0]=3 6548 B8R0.1 CCCC(C)SCC=O 62a_200015260668_100000766640 [1,1,0,0,0,0|1,0,0]=3 6549 B8R0.1 CCCC(C)SCOC 62a_100000766300_100000766640 [1,1,0,0,0,0|2,0,0]=4 6550 B8R0.1 CCCC(C)SCOC 62a_100000766640_100000766300 [1,1,0,0,0,0|2,0,0]=4 6551 B8R0.1 CCCC(C)SCSC 62a_100000766640_100011218213 [1,1,0,0,0,0|2,0,0]=4 6552 B8R0.1 CCCC(C)SCSC 62a_100011218213_100000766640 [1,1,0,0,0,0|2,0,0]=4 6553 B8R0.1 CCCCC(=O)CCC 1458a_100000210183_100000210303 [1,1,0,0,0,0|0,0,2]=4 6554 B8R0.1 CCCCC(=O)CCC 1458a_100000211992_100000210211 [1,1,0,0,0,0|0,0,2]=4 6555 B8R0.1 CCCCC(=O)COC 1458a_100000210968_100000210211 [1,1,0,0,0,0|1,0,1]=4 6556 B8R0.1 CCCCC(=O)CSC 1458a_100000184570_100000210211 [1,1,0,0,0,0|1,0,1]=4 6557 B8R0.1 CCCCC(C)COC 34a_100011995851_200000210301 [1,1,0,0,0,0|1,0,0]=3 6558 B8R0.1 CCCCC(C)COC 7a_100011995851_200000210301 [1,1,0,0,0,0|1,0,0]=3 6559 B8R0.1 CCCCC(C)CO[13CH3] 34a_100011995851_200025704644 [1,1,0,0,0,0|1,0,0]=3 6560 B8R0.1 CCCCC(C)CO[13CH3] 7a_100011995851_200025704644 [1,1,0,0,0,0|1,0,0]=3 6561 B8R0.1 CCCCC(C)NCC 2230a_100000126638_100000210202 [1,1,0,0,0,0|1,0,1]=4 6562 B8R0.1 CCCCC(C)NCC 2230a_100015525214_200011215066 [1,1,0,0,0,0|1,0,1]=4 6563 B8R0.1 CCCCC(C)NCC 270004a_100015525214_100000210087 [1,1,0,0,0,0|1,0,1]=4 6564 B8R0.1 CCCCC(C)OCC 34a_100000687866_100000210202 [1,1,0,0,0,0|1,0,1]=4 6565 B8R0.1 CCCCC(C)OCC 34a_100121572206_200011215066 [1,1,0,0,0,0|1,0,1]=4 6566 B8R0.1 CCCCC(C)OCC 7a_100000687866_100000210202 [1,1,0,0,0,0|1,0,1]=4 6567 B8R0.1 CCCCC(C)SCC 62a_100000210202_200011215066 [1,1,0,0,0,0|1,0,1]=4 6568 B8R0.1 CCCCC(C)SCC 62a_200011215066_100000210202 [1,1,0,0,0,0|1,0,1]=4 6569 B8R0.1 CCCCN(C)CC=O 2230a_100000207549_200015260668 [1,1,0,0,0,0|1,0,0]=3 6570 B8R0.1 CCCCN(C)CC=O 269982a_100000207549_200015260668 [1,1,0,0,0,0|1,0,0]=3 6571 B8R0.1 CCCCN(C)CCC 2230a_100000207549_100000210303 [1,1,0,0,0,0|1,0,1]=4 6572 B8R0.1 CCCCN(C)CCC 2230a_100000747261_100000210211 [1,1,0,0,0,0|1,0,1]=4 6573 B8R0.1 CCCCN(C)CCC 2230a_200000207744_200000210301 [1,1,0,0,0,0|1,0,1]=4 6574 B8R0.1 CCCCN(C)CCC 269982a_100000207549_100000210303 [1,1,0,0,0,0|1,0,1]=4 6575 B8R0.1 CCCCN(C)CCC 269982a_100000747261_100000210211 [1,1,0,0,0,0|1,0,1]=4 6576 B8R0.1 CCCCN(C)CCC 269982a_200000207744_200000210301 [1,1,0,0,0,0|1,0,1]=4 6577 B8R0.1 CCCCN(C)COC 2230a_100000207549_100000766300 [1,1,0,0,0,0|2,0,0]=4 6578 B8R0.1 CCCCN(C)COC 269982a_100000207549_100000766300 [1,1,0,0,0,0|2,0,0]=4 6579 B8R0.1 CCCCN(C)CSC 2230a_100000207549_100011218213 [1,1,0,0,0,0|2,0,0]=4 6580 B8R0.1 CCCCN(C)CSC 269982a_100000207549_100011218213 [1,1,0,0,0,0|2,0,0]=4 6581 B8R0.1 CCCCN([13CH3])CCC 2230a_200000207744_200025704644 [1,1,0,0,0,0|1,0,1]=4 6582 B8R0.1 CCCCN([13CH3])CCC 269982a_200000207744_200025704644 [1,1,0,0,0,0|1,0,1]=4 6583 B8R0.1 CCCC[C@H](N)COC 34a_100011934283_200000210301 [1,1,0,0,0,0|1,0,0]=3 6584 B8R0.1 CCCC[C@H](N)CO[13CH3] 34a_100011934283_200025704644 [1,1,0,0,0,0|1,0,0]=3 6585 B8R0.1 CCCN(C)CCOC 2230a_100000743101_100000210303 [1,1,0,0,0,0|2,0,0]=4 6586 B8R0.1 CCCN(C)CCOC 2230a_100000747261_100011201679 [1,1,0,0,0,0|2,0,0]=4 6587 B8R0.1 CCCN(C)CCOC 2230a_200011192371_200000210301 [1,1,0,0,0,0|2,0,0]=4 6588 B8R0.1 CCCN(C)CCOC 269982a_100000743101_100000210303 [1,1,0,0,0,0|2,0,0]=4 6589 B8R0.1 CCCN(C)CCOC 269982a_100000747261_100000233755 [1,1,0,0,0,0|2,0,0]=4 6590 B8R0.1 CCCN(C)CCOC 269982a_200011192371_200000210301 [1,1,0,0,0,0|2,0,0]=4 6591 B8R0.1 CCCN(C)CCSC 2230a_100000686725_100000210303 [1,1,0,0,0,0|2,0,0]=4 6592 B8R0.1 CCCN(C)CCSC 2230a_100000747261_100000751147 [1,1,0,0,0,0|2,0,0]=4 6593 B8R0.1 CCCN(C)CCSC 269982a_100000686725_100000210303 [1,1,0,0,0,0|2,0,0]=4 6594 B8R0.1 CCCN(C)CCSC 269982a_100000747261_100000212216 [1,1,0,0,0,0|2,0,0]=4 6595 B8R0.1 CCCN([13CH3])CCOC 2230a_200011192371_200025704644 [1,1,0,0,0,0|2,0,0]=4 6596 B8R0.1 CCCN([13CH3])CCOC 269982a_200011192371_200025704644 [1,1,0,0,0,0|2,0,0]=4 6597 B8R0.1 CCCNC(C)CCC 2230a_100000741246_100000210303 [1,1,0,0,0,0|1,0,1]=4 6598 B8R0.1 CCCNC(C)CCC 270004a_100020643023_100000211909 [1,1,0,0,0,0|1,0,1]=4 6599 B8R0.1 CCCNC(C)COC 270004a_100020643023_100000749346 [1,1,0,0,0,0|2,0,0]=4 6600 B8R0.1 CCCNC(C)CSC 270004a_100020643023_100011216314 [1,1,0,0,0,0|2,0,0]=4 6601 B8R0.1 CCCN[C@H](C)COC 2230a_100000764878_100000210303 [1,1,0,0,0,0|2,0,0]=4 6602 B8R0.1 CCCOC(C)CCC 34a_100000210258_100000766640 [1,1,0,0,0,0|1,0,1]=4 6603 B8R0.1 CCCOC(C)CCC 34a_100000764384_100000210303 [1,1,0,0,0,0|1,0,1]=4 6604 B8R0.1 CCCOC(C)CCC 7a_100000764384_100000210303 [1,1,0,0,0,0|1,0,1]=4 6605 B8R0.1 CCCOC(C)CNC 2230a_100015185124_200000210301 [1,1,0,0,0,0|2,0,0]=4 6606 B8R0.1 CCCOC(C)CNC 34a_100015185124_200000210301 [1,1,0,0,0,0|2,0,0]=4 6607 B8R0.1 CCCOC(C)CN[13CH3] 2230a_100015185124_200025704644 [1,1,0,0,0,0|2,0,0]=4 6608 B8R0.1 CCCOC(C)CN[13CH3] 34a_100015185124_200025704644 [1,1,0,0,0,0|2,0,0]=4 6609 B8R0.1 CCCOC(C)COC 34a_100000210258_100000765312 [1,1,0,0,0,0|2,0,0]=4 6610 B8R0.1 CCCO[C@H](C)COC 34a_100011934205_100000210303 [1,1,0,0,0,0|2,0,0]=4 6611 B8R0.1 CCCSC(C)CCC 62a_100000210303_100000766640 [1,1,0,0,0,0|1,0,1]=4 6612 B8R0.1 CCCSC(C)CCC 62a_100000766640_100000210303 [1,1,0,0,0,0|1,0,1]=4 6613 B8R0.1 CCCSC(C)COC 62a_100000210303_100000765312 [1,1,0,0,0,0|2,0,0]=4 6614 B8R0.1 CCCSC(C)COC 62a_100000765312_100000210303 [1,1,0,0,0,0|2,0,0]=4 6615 B8R0.1 CCC[C@H](N)CCOC 34a_100015193777_200000210301 [1,1,0,0,0,0|1,0,0]=3 6616 B8R0.1 CCC[C@H](N)CCO[13CH3] 34a_100015193777_200025704644 [1,1,0,0,0,0|1,0,0]=3 6617 B8R0.1 CCC[C@H](N)COCC 34a_100000732646_100000210202 [1,1,0,0,0,0|1,0,1]=4 6618 B8R0.1 CCNC(C)CCOC 270004a_100015525214_100000742357 [1,1,0,0,0,0|2,0,0]=4 6619 B8R0.1 CCNC(C)CCSC 270004a_100015525214_100011217047 [1,1,0,0,0,0|2,0,0]=4 6620 B8R0.1 CCNCC(O)COC 2230a_100000756049_100000210202 [1,1,0,0,0,0|2,0,0]=4 6621 B8R0.1 CCNCC(O)COC 34a_100000756049_100000210202 [1,1,0,0,0,0|2,0,0]=4 6622 B8R0.1 CCOCC(N)COC 34a_100000724102_100000210202 [1,1,0,0,0,0|2,0,0]=4 6623 B8R0.1 CCOCC(O)CNC 2230a_102515437182_200000210301 [1,1,0,0,0,0|2,0,0]=4 6624 B8R0.1 CCOCC(O)CNC 34a_102515437182_200000210301 [1,1,0,0,0,0|2,0,0]=4 6625 B8R0.1 CCOCC(O)CN[13CH3] 2230a_102515437182_200025704644 [1,1,0,0,0,0|2,0,0]=4 6626 B8R0.1 CCOCC(O)CN[13CH3] 34a_102515437182_200025704644 [1,1,0,0,0,0|2,0,0]=4 6627 B8R0.1 CCOCC(O)COC 34a_100121572206_100011215053 [1,1,0,0,0,0|2,0,0]=4 6628 B8R0.1 CCSCC(O)COC 62a_100000210202_100011215053 [1,1,0,0,0,0|2,0,0]=4 6629 B8R0.1 CCSCC(O)COC 62a_100011215053_100000210202 [1,1,0,0,0,0|2,0,0]=4 6630 B8R0.1 CN(CC=O)CCCO 2230a_100000213112_200015260668 [1,1,0,0,0,0|2,0,0]=4 6631 B8R0.1 CN(CC=O)CCCO 269982a_100000213112_200015260668 [1,1,0,0,0,0|2,0,0]=4 6632 B8R0.1 CNC[C@H](C)CCCO 2230a_100160569302_200000210301 [1,1,0,0,0,0|2,0,0]=4 6633 B8R0.1 CNC[C@H](C)CCCO 34a_100160569302_200000210301 [1,1,0,0,0,0|2,0,0]=4 6634 B8R0.1 COCC(C)SCC=O 62a_100000765312_200015260668 [1,1,0,0,0,0|2,0,0]=4 6635 B8R0.1 COCC(C)SCC=O 62a_200015260668_100000765312 [1,1,0,0,0,0|2,0,0]=4 6636 B8R0.1 COCCN(C)CC=O 2230a_100000743101_200015260668 [1,1,0,0,0,0|2,0,0]=4 6637 B8R0.1 COCCN(C)CC=O 269982a_100000743101_200015260668 [1,1,0,0,0,0|2,0,0]=4 6638 B8R0.1 COC[C@@H](C)NCC=O 2230a_100000764878_200015260668 [1,1,0,0,0,0|2,0,0]=4 6639 B8R0.1 COC[C@@H](C)OCC=O 34a_100011934205_200009817547 [1,1,0,0,0,0|2,0,0]=4 6640 B8R0.1 COC[C@@H](N)CCSC 34a_100011827619_200000210301 [1,1,0,0,0,0|2,0,0]=4 6641 B8R0.1 CSCCN(C)CC=O 2230a_100000686725_200015260668 [1,1,0,0,0,0|2,0,0]=4 6642 B8R0.1 CSCCN(C)CC=O 269982a_100000686725_200015260668 [1,1,0,0,0,0|2,0,0]=4 6643 B8R0.1 CSCC[C@H](N)CO[13CH3] 34a_100011827619_200025704644 [1,1,0,0,0,0|2,0,0]=4 6644 B8R0.1 C[C@H](CCCO)CN[13CH3] 2230a_100160569302_200025704644 [1,1,0,0,0,0|2,0,0]=4 6645 B8R0.1 C[C@H](CCCO)CN[13CH3] 34a_100160569302_200025704644 [1,1,0,0,0,0|2,0,0]=4 6646 B8R0.1 C[C@H](CCO)NCC=O 2230a_100000706166_200015260668 [1,1,0,0,0,0|2,0,0]=4 6647 B8R0.1 C[C@H](CCO)NCC=O 34a_100000706166_200009817547 [1,1,0,0,0,0|2,0,0]=4 6648 B8R0.4 C#CCCCCCNC 2230a_106832991635_100012094781 [1,1,0,0,0,0|0,0,2]=4 6649 B8R0.4 C#CCCCCCNC 34a_100102657272_100012094781 [1,1,0,0,0,0|0,0,2]=4 6650 B8R0.4 C#CCCCCCNC 7a_106832991635_100012094781 [1,1,0,0,0,0|0,0,2]=4 6651 B8R0.4 C#CCCCCCOC 34a_100000766912_200000210301 [1,1,0,0,0,0|0,0,2]=4 6652 B8R0.4 C#CCCCCCOC 34a_100138415774_100012094781 [1,1,0,0,0,0|0,0,2]=4 6653 B8R0.4 C#CCCCCCOC 7a_100000766912_200000210301 [1,1,0,0,0,0|0,0,2]=4 6654 B8R0.4 C#CCCCCCO[13CH3] 34a_100000766912_200025704644 [1,1,0,0,0,0|0,0,2]=4 6655 B8R0.4 C#CCCCCCO[13CH3] 7a_100000766912_200025704644 [1,1,0,0,0,0|0,0,2]=4 6656 B8R0.4 C#CCCCCCSC 62a_100012094781_200000210301 [1,1,0,0,0,0|0,0,2]=4 6657 B8R0.4 C#CCCCCCSC 62a_200000210301_100012094781 [1,1,0,0,0,0|0,0,2]=4 6658 B8R0.4 C#CCCCCCS[13CH3] 62a_100012094781_200025704644 [1,1,0,0,0,0|0,0,2]=4 6659 B8R0.4 C#CCCCCCS[13CH3] 62a_200025704644_100012094781 [1,1,0,0,0,0|0,0,2]=4 6660 B8R0.4 C#CCCCCNCC 2230a_100000706060_100000210202 [1,1,0,0,0,0|0,0,2]=4 6661 B8R0.4 C#CCCCCNCC 2230a_100015525214_100010269958 [1,1,0,0,0,0|0,0,2]=4 6662 B8R0.4 C#CCCCCNCC 34a_100000706060_100000210202 [1,1,0,0,0,0|0,0,2]=4 6663 B8R0.4 C#CCCCCOCC 34a_100000766709_100000210202 [1,1,0,0,0,0|0,0,2]=4 6664 B8R0.4 C#CCCCCOCC 34a_100121572206_100010269958 [1,1,0,0,0,0|0,0,2]=4 6665 B8R0.4 C#CCCCCOCC 7a_100000766709_100000210202 [1,1,0,0,0,0|0,0,2]=4 6666 B8R0.4 C#CCCCCSCC 62a_100000210202_100010269958 [1,1,0,0,0,0|0,0,2]=4 6667 B8R0.4 C#CCCCCSCC 62a_100010269958_100000210202 [1,1,0,0,0,0|0,0,2]=4 6668 B8R0.4 C#CCCCNCC=O 34a_100000718082_200009817547 [1,1,0,0,0,0|0,0,2]=4 6669 B8R0.4 C#CCCCNCCC 34a_100000718082_100000210303 [1,1,0,0,0,0|0,0,2]=4 6670 B8R0.4 C#CCCCOCC=O 34a_100000215630_200009817547 [1,1,0,0,0,0|0,0,2]=4 6671 B8R0.4 C#CCCCOCC=O 7a_100000215630_200015260668 [1,1,0,0,0,0|0,0,2]=4 6672 B8R0.4 C#CCCCOCCC 34a_100000210258_100000695029 [1,1,0,0,0,0|0,0,2]=4 6673 B8R0.4 C#CCCCOCCC 34a_100000215630_100000210303 [1,1,0,0,0,0|0,0,2]=4 6674 B8R0.4 C#CCCCOCCC 7a_100000215630_100000210303 [1,1,0,0,0,0|0,0,2]=4 6675 B8R0.4 C#CCCCSCC=O 62a_100011215417_200015260668 [1,1,0,0,0,0|0,0,2]=4 6676 B8R0.4 C#CCCCSCC=O 62a_200015260668_100011215417 [1,1,0,0,0,0|0,0,2]=4 6677 B8R0.4 C#CCCCSCCC 62a_100000210303_100011215417 [1,1,0,0,0,0|0,0,2]=4 6678 B8R0.4 C#CCCCSCCC 62a_100011215417_100000210303 [1,1,0,0,0,0|0,0,2]=4 6679 B8R0.4 C#CCCNCCCC 2230a_100000102301_100000688953 [1,1,0,0,0,0|0,0,2]=4 6680 B8R0.4 C#CCCNCCCC 34a_100000755551_100000210210 [1,1,0,0,0,0|0,0,2]=4 6681 B8R0.4 C#CCCNCCCC 7a_106832991798_100000688953 [1,1,0,0,0,0|0,0,2]=4 6682 B8R0.4 C#CCCOCCCC 34a_100000210227_100000688953 [1,1,0,0,0,0|0,0,2]=4 6683 B8R0.4 C#CCCOCCCC 34a_100011215631_100000210210 [1,1,0,0,0,0|0,0,2]=4 6684 B8R0.4 C#CCCOCCCC 7a_100000210227_100000688953 [1,1,0,0,0,0|0,0,2]=4 6685 B8R0.4 C#CCCSCCCC 62a_100000210211_100000688953 [1,1,0,0,0,0|0,0,2]=4 6686 B8R0.4 C#CCCSCCCC 62a_100000688953_100000210210 [1,1,0,0,0,0|0,0,2]=4 6687 B8R0.4 C#CCNCCCCC 2230a_100000209983_100000038162 [1,1,0,0,0,0|0,0,2]=4 6688 B8R0.4 C#CCNCCCCC 34a_100000212058_100000718602 [1,1,0,0,0,0|0,0,2]=4 6689 B8R0.4 C#CCOCCCCC 34a_100000210247_100000718602 [1,1,0,0,0,0|0,0,2]=4 6690 B8R0.4 C#CCOCCCCC 34a_100000210253_100000184674 [1,1,0,0,0,0|0,0,2]=4 6691 B8R0.4 C#CCOCCCCC 7a_100000210253_100000038162 [1,1,0,0,0,0|0,0,2]=4 6692 B8R0.4 C#CCSCCCC=O 62a_100000038162_200011292268 [1,1,0,0,0,0|0,0,2]=4 6693 B8R0.4 C#CCSCCCCC 62a_100000038162_100000210326 [1,1,0,0,0,0|0,0,2]=4 6694 B8R0.4 C/C=C/CCOCC=O 34a_100016278192_200009817547 [1,1,0,0,0,0|0,0,2]=4 6695 B8R0.4 C/C=C/CCOCCC 34a_100016278192_100000210303 [1,1,0,0,0,0|0,0,1]=3 6696 B8R0.4 C/C=C/CCOCCF 34a_100016278192_100011217306 [1,1,0,0,0,0|1,0,1]=4 6697 B8R0.4 C/C=C/CCOCCO 34a_100016278192_100000211926 [1,1,0,0,0,0|1,0,1]=4 6698 B8R0.4 C/C=C/CCOCSC 34a_100016278192_100011218213 [1,1,0,0,0,0|1,0,1]=4 6699 B8R0.4 C/C=C/CNCCCC 7a_106832991798_100102629194 [1,1,0,0,0,0|0,0,1]=3 6700 B8R0.4 C/C=C/CNCCCF 34a_100015189416_100102629194 [1,1,0,0,0,0|1,0,1]=4 6701 B8R0.4 C/C=C/COCCCBr 34a_100011217188_100102629194 [1,1,0,0,0,0|1,0,1]=4 6702 B8R0.4 C/C=C/COCCCC 34a_100000210227_100102629194 [1,1,0,0,0,0|0,0,1]=3 6703 B8R0.4 C/C=C/COCCCC 34a_100016270725_100000210210 [1,1,0,0,0,0|0,0,1]=3 6704 B8R0.4 C/C=C/COCCCC 7a_100000210227_100102629194 [1,1,0,0,0,0|0,0,1]=3 6705 B8R0.4 C/C=C/COCCCCl 34a_100000230001_100102629194 [1,1,0,0,0,0|1,0,1]=4 6706 B8R0.4 C/C=C/COCCCF 34a_100000759539_100102629194 [1,1,0,0,0,0|1,0,1]=4 6707 B8R0.4 C/C=C/COCCCF 34a_100016270725_100011934791 [1,1,0,0,0,0|1,0,1]=4 6708 B8R0.4 C/C=C/COCCCN 34a_100000182051_100102629194 [1,1,0,0,0,0|1,0,1]=4 6709 B8R0.4 C/C=C/COCCCO 34a_100016270725_100000230001 [1,1,0,0,0,0|1,0,1]=4 6710 B8R0.4 C/C=C/COCCOC 34a_100000210237_100102629194 [1,1,0,0,0,0|1,0,1]=4 6711 B8R0.4 C/C=C/COCCOC 34a_100016270725_100011201679 [1,1,0,0,0,0|1,0,1]=4 6712 B8R0.4 C/C=C/COCCSC 34a_100000230434_100102629194 [1,1,0,0,0,0|1,0,1]=4 6713 B8R0.4 C/C=C/COCCSC 34a_100016270725_100000212216 [1,1,0,0,0,0|1,0,1]=4 6714 B8R0.4 C/C=C/COCCSC 7a_100000230434_100102629194 [1,1,0,0,0,0|1,0,1]=4 6715 B8R0.4 C/C=C/CSCCCC 62a_100000210211_100102629194 [1,1,0,0,0,0|0,0,1]=3 6716 B8R0.4 C/C=C/CSCCCC 62a_100102629194_100000210210 [1,1,0,0,0,0|0,0,1]=3 6717 B8R0.4 C/C=C/CSCCCF 62a_100011934791_100102629194 [1,1,0,0,0,0|1,0,1]=4 6718 B8R0.4 C/C=C/CSCCCF 62a_100102629194_100011934791 [1,1,0,0,0,0|1,0,1]=4 6719 B8R0.4 C/C=C/CSCCCO 62a_100011215043_100102629194 [1,1,0,0,0,0|1,0,1]=4 6720 B8R0.4 C/C=C/CSCCCO 62a_100102629194_100011215043 [1,1,0,0,0,0|1,0,1]=4 6721 B8R0.4 C/C=C/CSCCOC 62a_100000233755_100102629194 [1,1,0,0,0,0|1,0,1]=4 6722 B8R0.4 C/C=C/CSCCOC 62a_100102629194_100000233755 [1,1,0,0,0,0|1,0,1]=4 6723 B8R0.4 C/C=C/CSCCSC 62a_100000212216_100102629194 [1,1,0,0,0,0|1,0,1]=4 6724 B8R0.4 C/C=C/CSCCSC 62a_100102629194_100000751147 [1,1,0,0,0,0|1,0,1]=4 6725 B8R0.4 C/C=C/CSCOCC 62a_100000739092_100102629194 [1,1,0,0,0,0|1,0,1]=4 6726 B8R0.4 C/C=C/CSCOCC 62a_100102629194_100000739092 [1,1,0,0,0,0|1,0,1]=4 6727 B8R0.4 C=CCCCCCNC 2230a_106832991635_100000700193 [1,1,0,0,0,0|0,0,1]=3 6728 B8R0.4 C=CCCCCCNC 34a_100102657272_100000700193 [1,1,0,0,0,0|0,0,1]=3 6729 B8R0.4 C=CCCCCCNC 7a_106832991635_100000700193 [1,1,0,0,0,0|0,0,1]=3 6730 B8R0.4 C=CCCCCCOC 34a_100011216702_200000210301 [1,1,0,0,0,0|0,0,1]=3 6731 B8R0.4 C=CCCCCCOC 34a_100138415774_100000700193 [1,1,0,0,0,0|0,0,1]=3 6732 B8R0.4 C=CCCCCCOC 7a_100011216702_200000210301 [1,1,0,0,0,0|0,0,1]=3 6733 B8R0.4 C=CCCCCCO[13CH3] 34a_100011216702_200025704644 [1,1,0,0,0,0|0,0,1]=3 6734 B8R0.4 C=CCCCCCO[13CH3] 7a_100011216702_200025704644 [1,1,0,0,0,0|0,0,1]=3 6735 B8R0.4 C=CCCCCCSC 62a_100000700193_200000210301 [1,1,0,0,0,0|0,0,1]=3 6736 B8R0.4 C=CCCCCCSC 62a_200000210301_100000700193 [1,1,0,0,0,0|0,0,1]=3 6737 B8R0.4 C=CCCCCCS[13CH3] 62a_100000700193_200025704644 [1,1,0,0,0,0|0,0,1]=3 6738 B8R0.4 C=CCCCCCS[13CH3] 62a_200025704644_100000700193 [1,1,0,0,0,0|0,0,1]=3 6739 B8R0.4 C=CCCCCNCC 2230a_100000703577_100000210202 [1,1,0,0,0,0|0,0,1]=3 6740 B8R0.4 C=CCCCCNCC 2230a_100015525214_100011215482 [1,1,0,0,0,0|0,0,1]=3 6741 B8R0.4 C=CCCCCNCC 34a_100000703577_100000210202 [1,1,0,0,0,0|0,0,1]=3 6742 B8R0.4 C=CCCCCNCF 34a_100000703577_100015361967 [1,1,0,0,0,0|1,0,1]=4 6743 B8R0.4 C=CCCCCOCC 34a_100000766645_100000210202 [1,1,0,0,0,0|0,0,1]=3 6744 B8R0.4 C=CCCCCOCC 34a_100121572206_100011215482 [1,1,0,0,0,0|0,0,1]=3 6745 B8R0.4 C=CCCCCOCC 7a_100000766645_100000210202 [1,1,0,0,0,0|0,0,1]=3 6746 B8R0.4 C=CCCCCOCF 34a_100000766645_100015361967 [1,1,0,0,0,0|1,0,1]=4 6747 B8R0.4 C=CCCCCOCF 7a_100000766645_100015361967 [1,1,0,0,0,0|1,0,1]=4 6748 B8R0.4 C=CCCCCSCC 62a_100000210202_100011215482 [1,1,0,0,0,0|0,0,1]=3 6749 B8R0.4 C=CCCCCSCC 62a_100011215482_100000210202 [1,1,0,0,0,0|0,0,1]=3 6750 B8R0.4 C=CCCCCSCF 62a_100011215482_100015361967 [1,1,0,0,0,0|1,0,1]=4 6751 B8R0.4 C=CCCCCSCF 62a_100015361967_100011215482 [1,1,0,0,0,0|1,0,1]=4 6752 B8R0.4 C=CCCCNCC=O 2230a_100000700776_200015260668 [1,1,0,0,0,0|0,0,2]=4 6753 B8R0.4 C=CCCCNCC=O 34a_100000700776_200009817547 [1,1,0,0,0,0|0,0,2]=4 6754 B8R0.4 C=CCCCNCCC 2230a_100000700776_100000210303 [1,1,0,0,0,0|0,0,1]=3 6755 B8R0.4 C=CCCCNCCC 34a_100000700776_100000210303 [1,1,0,0,0,0|0,0,1]=3 6756 B8R0.4 C=CCCCNCCF 2230a_100000700776_100011217306 [1,1,0,0,0,0|1,0,1]=4 6757 B8R0.4 C=CCCCNCCF 34a_100000700776_100011217306 [1,1,0,0,0,0|1,0,1]=4 6758 B8R0.4 C=CCCCNCCF 34a_100000724931_100000757094 [1,1,0,0,0,0|1,0,1]=4 6759 B8R0.4 C=CCCCNCCO 2230a_100000700776_100000211926 [1,1,0,0,0,0|1,0,1]=4 6760 B8R0.4 C=CCCCNCCO 2230a_100016997473_100011713584 [1,1,0,0,0,0|1,0,1]=4 6761 B8R0.4 C=CCCCNCCO 34a_100000700776_100000211926 [1,1,0,0,0,0|1,0,1]=4 6762 B8R0.4 C=CCCCNCCO 34a_100016990907_100000757094 [1,1,0,0,0,0|1,0,1]=4 6763 B8R0.4 C=CCCCNCOC 2230a_100000700776_100000766300 [1,1,0,0,0,0|1,0,1]=4 6764 B8R0.4 C=CCCCNCSC 2230a_100000700776_100011218213 [1,1,0,0,0,0|1,0,1]=4 6765 B8R0.4 C=CCCCNCSC 34a_100000700776_100011218213 [1,1,0,0,0,0|1,0,1]=4 6766 B8R0.4 C=CCCCOCC=O 34a_100000758997_200009817547 [1,1,0,0,0,0|0,0,2]=4 6767 B8R0.4 C=CCCCOCC=O 7a_100000758997_200015260668 [1,1,0,0,0,0|0,0,2]=4 6768 B8R0.4 C=CCCCOCCBr 34a_100000211926_100000757094 [1,1,0,0,0,0|1,0,1]=4 6769 B8R0.4 C=CCCCOCCC 34a_100000210258_100000757094 [1,1,0,0,0,0|0,0,1]=3 6770 B8R0.4 C=CCCCOCCC 34a_100000758997_100000210303 [1,1,0,0,0,0|0,0,1]=3 6771 B8R0.4 C=CCCCOCCC 7a_100000758997_100000210303 [1,1,0,0,0,0|0,0,1]=3 6772 B8R0.4 C=CCCCOCCF 34a_100000758997_100011217306 [1,1,0,0,0,0|1,0,1]=4 6773 B8R0.4 C=CCCCOCCF 7a_100000758997_100011217306 [1,1,0,0,0,0|1,0,1]=4 6774 B8R0.4 C=CCCCOCCN 34a_100000210304_100000757094 [1,1,0,0,0,0|1,0,1]=4 6775 B8R0.4 C=CCCCOCCO 34a_100000758997_100000211926 [1,1,0,0,0,0|1,0,1]=4 6776 B8R0.4 C=CCCCOCCO 7a_100000758997_100000211926 [1,1,0,0,0,0|1,0,1]=4 6777 B8R0.4 C=CCCCOCSC 34a_100000758997_100011218213 [1,1,0,0,0,0|1,0,1]=4 6778 B8R0.4 C=CCCCSCC=O 62a_100011713584_200015260668 [1,1,0,0,0,0|0,0,2]=4 6779 B8R0.4 C=CCCCSCC=O 62a_200015260668_100000757094 [1,1,0,0,0,0|0,0,2]=4 6780 B8R0.4 C=CCCCSCCC 62a_100000210303_100000757094 [1,1,0,0,0,0|0,0,1]=3 6781 B8R0.4 C=CCCCSCCC 62a_100011713584_100000210303 [1,1,0,0,0,0|0,0,1]=3 6782 B8R0.4 C=CCCCSCCF 62a_100011217306_100000757094 [1,1,0,0,0,0|1,0,1]=4 6783 B8R0.4 C=CCCCSCCF 62a_100011713584_100011217306 [1,1,0,0,0,0|1,0,1]=4 6784 B8R0.4 C=CCCCSCCO 62a_100000211926_100000757094 [1,1,0,0,0,0|1,0,1]=4 6785 B8R0.4 C=CCCCSCCO 62a_100011713584_100000211926 [1,1,0,0,0,0|1,0,1]=4 6786 B8R0.4 C=CCCCSCOC 62a_100000766300_100000757094 [1,1,0,0,0,0|1,0,1]=4 6787 B8R0.4 C=CCCCSCOC 62a_100011713584_100000766300 [1,1,0,0,0,0|1,0,1]=4 6788 B8R0.4 C=CCCCSCSC 62a_100011218213_100000757094 [1,1,0,0,0,0|1,0,1]=4 6789 B8R0.4 C=CCCCSCSC 62a_100011713584_100011218213 [1,1,0,0,0,0|1,0,1]=4 6790 B8R0.4 C=CCCNCCCC 2230a_100000102301_100000754431 [1,1,0,0,0,0|0,0,1]=3 6791 B8R0.4 C=CCCNCCCC 2230a_100015191253_100000210211 [1,1,0,0,0,0|0,0,1]=3 6792 B8R0.4 C=CCCNCCCC 7a_106832991798_100000754431 [1,1,0,0,0,0|0,0,1]=3 6793 B8R0.4 C=CCCNCCCF 2230a_100015189416_100000754431 [1,1,0,0,0,0|1,0,1]=4 6794 B8R0.4 C=CCCNCCCF 2230a_100015191253_100011934791 [1,1,0,0,0,0|1,0,1]=4 6795 B8R0.4 C=CCCNCCCF 34a_100015189416_100000754431 [1,1,0,0,0,0|1,0,1]=4 6796 B8R0.4 C=CCCNCCCO 2230a_100015191253_100000230001 [1,1,0,0,0,0|1,0,1]=4 6797 B8R0.4 C=CCCNCCOC 2230a_100000209980_100000754431 [1,1,0,0,0,0|1,0,1]=4 6798 B8R0.4 C=CCCNCCOC 2230a_100015191253_100011201679 [1,1,0,0,0,0|1,0,1]=4 6799 B8R0.4 C=CCCNCCSC 2230a_100015191253_100000751147 [1,1,0,0,0,0|1,0,1]=4 6800 B8R0.4 C=CCCNCCSC 2230a_100020590264_100000754431 [1,1,0,0,0,0|1,0,1]=4 6801 B8R0.4 C=CCCOCCCBr 34a_100011217188_100000754431 [1,1,0,0,0,0|1,0,1]=4 6802 B8R0.4 C=CCCOCCCC 34a_100000210227_100000754431 [1,1,0,0,0,0|0,0,1]=3 6803 B8R0.4 C=CCCOCCCC 34a_100011205117_100000210210 [1,1,0,0,0,0|0,0,1]=3 6804 B8R0.4 C=CCCOCCCC 7a_100000210227_100000754431 [1,1,0,0,0,0|0,0,1]=3 6805 B8R0.4 C=CCCOCCCCl 34a_100000230001_100000754431 [1,1,0,0,0,0|1,0,1]=4 6806 B8R0.4 C=CCCOCCCF 34a_100000759539_100000754431 [1,1,0,0,0,0|1,0,1]=4 6807 B8R0.4 C=CCCOCCCF 34a_100011205117_100011934791 [1,1,0,0,0,0|1,0,1]=4 6808 B8R0.4 C=CCCOCCCN 34a_100000182051_100000754431 [1,1,0,0,0,0|1,0,1]=4 6809 B8R0.4 C=CCCOCCCO 34a_100011205117_100000230001 [1,1,0,0,0,0|1,0,1]=4 6810 B8R0.4 C=CCCOCCOC 34a_100000210237_100000754431 [1,1,0,0,0,0|1,0,1]=4 6811 B8R0.4 C=CCCOCCOC 34a_100011205117_100011201679 [1,1,0,0,0,0|1,0,1]=4 6812 B8R0.4 C=CCCOCCSC 34a_100000230434_100000754431 [1,1,0,0,0,0|1,0,1]=4 6813 B8R0.4 C=CCCOCCSC 34a_100011205117_100000212216 [1,1,0,0,0,0|1,0,1]=4 6814 B8R0.4 C=CCCOCCSC 7a_100000230434_100000754431 [1,1,0,0,0,0|1,0,1]=4 6815 B8R0.4 C=CCCSCCCC 62a_100000210211_100000754431 [1,1,0,0,0,0|0,0,1]=3 6816 B8R0.4 C=CCCSCCCC 62a_100000754431_100000210210 [1,1,0,0,0,0|0,0,1]=3 6817 B8R0.4 C=CCCSCCCF 62a_100000754431_100011934791 [1,1,0,0,0,0|1,0,1]=4 6818 B8R0.4 C=CCCSCCCF 62a_100011934791_100000754431 [1,1,0,0,0,0|1,0,1]=4 6819 B8R0.4 C=CCCSCCCO 62a_100000754431_100011215043 [1,1,0,0,0,0|1,0,1]=4 6820 B8R0.4 C=CCCSCCCO 62a_100011215043_100000754431 [1,1,0,0,0,0|1,0,1]=4 6821 B8R0.4 C=CCCSCCOC 62a_100000233755_100000754431 [1,1,0,0,0,0|1,0,1]=4 6822 B8R0.4 C=CCCSCCOC 62a_100000754431_100000233755 [1,1,0,0,0,0|1,0,1]=4 6823 B8R0.4 C=CCCSCCSC 62a_100000212216_100000754431 [1,1,0,0,0,0|1,0,1]=4 6824 B8R0.4 C=CCCSCCSC 62a_100000754431_100000751147 [1,1,0,0,0,0|1,0,1]=4 6825 B8R0.4 C=CCCSCOCC 62a_100000739092_100000754431 [1,1,0,0,0,0|1,0,1]=4 6826 B8R0.4 C=CCCSCOCC 62a_100000754431_100000739092 [1,1,0,0,0,0|1,0,1]=4 6827 B8R0.4 C=CCNCCCC=O 2230a_100020586998_200011292268 [1,1,0,0,0,0|0,0,2]=4 6828 B8R0.4 C=CCNCCCCC 2230a_100000209983_100000210623 [1,1,0,0,0,0|0,0,1]=3 6829 B8R0.4 C=CCNCCCCC 2230a_100020586998_100000210326 [1,1,0,0,0,0|0,0,1]=3 6830 B8R0.4 C=CCNCCCCF 2230a_100020586998_100000729493 [1,1,0,0,0,0|1,0,1]=4 6831 B8R0.4 C=CCNCCCCO 2230a_100000750430_100000210623 [1,1,0,0,0,0|1,0,1]=4 6832 B8R0.4 C=CCNCCCCO 2230a_100020586998_100000210776 [1,1,0,0,0,0|1,0,1]=4 6833 B8R0.4 C=CCNCCCCO 34a_100000750430_100015514636 [1,1,0,0,0,0|1,0,1]=4 6834 B8R0.4 C=CCNCCCOC 2230a_100020586998_100000740836 [1,1,0,0,0,0|1,0,1]=4 6835 B8R0.4 C=CCNCCCOC 34a_100150723488_100015514636 [1,1,0,0,0,0|1,0,1]=4 6836 B8R0.4 C=CCNCCCSC 2230a_100000749238_100000210623 [1,1,0,0,0,0|1,0,1]=4 6837 B8R0.4 C=CCNCCOCC 2230a_100020586998_100011215890 [1,1,0,0,0,0|1,0,1]=4 6838 B8R0.4 C=CCNCCOCC 2230a_102516460346_100000210623 [1,1,0,0,0,0|1,0,1]=4 6839 B8R0.4 C=CCNCCOCC 34a_102516460346_100015514636 [1,1,0,0,0,0|1,0,1]=4 6840 B8R0.4 C=CCNCCSCC 2230a_100000106463_100000210623 [1,1,0,0,0,0|1,0,1]=4 6841 B8R0.4 C=CCNCCSCC 2230a_100020586998_100000757381 [1,1,0,0,0,0|1,0,1]=4 6842 B8R0.4 C=CCOCCCCBr 34a_100011216708_100015514636 [1,1,0,0,0,0|1,0,1]=4 6843 B8R0.4 C=CCOCCCCC 34a_100000210253_100015514636 [1,1,0,0,0,0|0,0,1]=3 6844 B8R0.4 C=CCOCCCCC 34a_200000210373_100000718602 [1,1,0,0,0,0|0,0,1]=3 6845 B8R0.4 C=CCOCCCCC 7a_100000210253_100015514636 [1,1,0,0,0,0|0,0,1]=3 6846 B8R0.4 C=CCOCCCCCl 34a_100000210776_100015514636 [1,1,0,0,0,0|1,0,1]=4 6847 B8R0.4 C=CCOCCCCCl 7a_100000210776_100015514636 [1,1,0,0,0,0|1,0,1]=4 6848 B8R0.4 C=CCOCCCCF 34a_100011995726_100015514636 [1,1,0,0,0,0|1,0,1]=4 6849 B8R0.4 C=CCOCCCCF 34a_200000210373_100000729493 [1,1,0,0,0,0|1,0,1]=4 6850 B8R0.4 C=CCOCCCCF 7a_100011995726_100015514636 [1,1,0,0,0,0|1,0,1]=4 6851 B8R0.4 C=CCOCCCCI 34a_200012148704_100015514636 [1,1,0,0,0,0|1,0,1]=4 6852 B8R0.4 C=CCOCCCCN 34a_100000750430_100015514636 [1,1,0,0,0,0|1,0,1]=4 6853 B8R0.4 C=CCOCCCCO 34a_200000210373_100011216708 [1,1,0,0,0,0|1,0,1]=4 6854 B8R0.4 C=CCOCCCNC 34a_100000213112_100015514636 [1,1,0,0,0,0|1,0,1]=4 6855 B8R0.4 C=CCOCCCOC 34a_100000740835_100015514636 [1,1,0,0,0,0|1,0,1]=4 6856 B8R0.4 C=CCOCCCOC 34a_200000210373_100000740836 [1,1,0,0,0,0|1,0,1]=4 6857 B8R0.4 C=CCOCCCSC 34a_100000690336_100015514636 [1,1,0,0,0,0|1,0,1]=4 6858 B8R0.4 C=CCOCCCSC 7a_100000690336_100015514636 [1,1,0,0,0,0|1,0,1]=4 6859 B8R0.4 C=CCOCCOCC 34a_100000037705_100000210202 [1,1,0,0,0,0|1,0,1]=4 6860 B8R0.4 C=CCOCCOCC 34a_100000210136_100015514636 [1,1,0,0,0,0|1,0,1]=4 6861 B8R0.4 C=CCOCCOCC 34a_200000210373_100000210147 [1,1,0,0,0,0|1,0,1]=4 6862 B8R0.4 C=CCOCCOCC 7a_100000037705_100000210202 [1,1,0,0,0,0|1,0,1]=4 6863 B8R0.4 C=CCOCCOCC 7a_100000210136_100015514636 [1,1,0,0,0,0|1,0,1]=4 6864 B8R0.4 C=CCOCCSCC 34a_100000212035_100015514636 [1,1,0,0,0,0|1,0,1]=4 6865 B8R0.4 C=CCOCCSCC 34a_200000210373_100000757381 [1,1,0,0,0,0|1,0,1]=4 6866 B8R0.4 C=CCOCCSCC 7a_100000212035_100015514636 [1,1,0,0,0,0|1,0,1]=4 6867 B8R0.4 C=CCSCCCC=O 62a_100000210623_200011292268 [1,1,0,0,0,0|0,0,2]=4 6868 B8R0.4 C=CCSCCCC=O 62a_200011292268_100000210623 [1,1,0,0,0,0|0,0,2]=4 6869 B8R0.4 C=CCSCCCCC 62a_100000210326_100000210623 [1,1,0,0,0,0|0,0,1]=3 6870 B8R0.4 C=CCSCCCCC 62a_100000210623_100000210326 [1,1,0,0,0,0|0,0,1]=3 6871 B8R0.4 C=CCSCCCCF 62a_100000210623_100000729493 [1,1,0,0,0,0|1,0,1]=4 6872 B8R0.4 C=CCSCCCCF 62a_100000729493_100000210623 [1,1,0,0,0,0|1,0,1]=4 6873 B8R0.4 C=CCSCCCCO 62a_100000210623_100000210776 [1,1,0,0,0,0|1,0,1]=4 6874 B8R0.4 C=CCSCCCCO 62a_100000210776_100000210623 [1,1,0,0,0,0|1,0,1]=4 6875 B8R0.4 C=CCSCCCOC 62a_100000210623_100000709357 [1,1,0,0,0,0|1,0,1]=4 6876 B8R0.4 C=CCSCCCOC 62a_100000709357_100000210623 [1,1,0,0,0,0|1,0,1]=4 6877 B8R0.4 C=CCSCCOCC 62a_100000210147_100000210623 [1,1,0,0,0,0|1,0,1]=4 6878 B8R0.4 C=CCSCCOCC 62a_100000210623_100011215890 [1,1,0,0,0,0|1,0,1]=4 6879 B8R0.4 C=CCSCCSCC 62a_100000210623_100000757381 [1,1,0,0,0,0|1,0,1]=4 6880 B8R0.4 C=CCSCCSCC 62a_100000757381_100000210623 [1,1,0,0,0,0|1,0,1]=4 6881 B8R0.4 C=COCCCCOC 34a_100000031558_200000210301 [1,1,0,0,0,0|1,0,1]=4 6882 B8R0.4 C=COCCCCOC 7a_100000031558_200000210301 [1,1,0,0,0,0|1,0,1]=4 6883 B8R0.4 C=COCCCCO[13CH3] 34a_100000031558_200025704644 [1,1,0,0,0,0|1,0,1]=4 6884 B8R0.4 C=COCCCCO[13CH3] 7a_100000031558_200025704644 [1,1,0,0,0,0|1,0,1]=4 6885 B8R0.4 C=COCCCNCC 2230a_100000210767_100000210202 [1,1,0,0,0,0|1,0,1]=4 6886 B8R0.4 C=COCCCNCC 34a_100000210767_100000210202 [1,1,0,0,0,0|1,0,1]=4 6887 B8R0.4 C=COCCOCCC 34a_100000033082_100000210303 [1,1,0,0,0,0|1,0,1]=4 6888 B8R0.4 C=COCCOCCC 34a_100000210258_100000039644 [1,1,0,0,0,0|1,0,1]=4 6889 B8R0.4 C=COCCSCCC 62a_100000039644_100000210303 [1,1,0,0,0,0|1,0,1]=4 6890 B8R0.4 C=COCCSCCC 62a_100000210303_100000039644 [1,1,0,0,0,0|1,0,1]=4 6891 B8R0.4 CC#CCCOCC=O 34a_100000750427_200009817547 [1,1,0,0,0,0|0,0,2]=4 6892 B8R0.4 CC#CCCOCCC 34a_100000750427_100000210303 [1,1,0,0,0,0|0,0,2]=4 6893 B8R0.4 CC#CCNCCCC 2230a_100000102301_100000748600 [1,1,0,0,0,0|0,0,2]=4 6894 B8R0.4 CC#CCNCCCC 2230a_100000685387_100000210211 [1,1,0,0,0,0|0,0,2]=4 6895 B8R0.4 CC#CCNCCCC 34a_100000685387_100000210210 [1,1,0,0,0,0|0,0,2]=4 6896 B8R0.4 CC#CCNCCCC 7a_106832991798_100000748600 [1,1,0,0,0,0|0,0,2]=4 6897 B8R0.4 CC#CCOCCCC 34a_100000210227_100000748600 [1,1,0,0,0,0|0,0,2]=4 6898 B8R0.4 CC#CCOCCCC 34a_100000761923_100000210210 [1,1,0,0,0,0|0,0,2]=4 6899 B8R0.4 CC#CCOCCCC 7a_100000210227_100000748600 [1,1,0,0,0,0|0,0,2]=4 6900 B8R0.4 CC#CCSCCCC 62a_100000210211_100000748600 [1,1,0,0,0,0|0,0,2]=4 6901 B8R0.4 CC#CCSCCCC 62a_100000748600_100000210210 [1,1,0,0,0,0|0,0,2]=4 6902 B8R0.4 CC/C=C/CCCOC 34a_100016287902_200000210301 [1,1,0,0,0,0|1,0,1]=4 6903 B8R0.4 CC/C=C/CCCOC 7a_100016287902_200000210301 [1,1,0,0,0,0|1,0,1]=4 6904 B8R0.4 CC/C=C/CCCO[13CH3] 34a_100016287902_200025704644 [1,1,0,0,0,0|1,0,1]=4 6905 B8R0.4 CC/C=C/CCCO[13CH3] 7a_100016287902_200025704644 [1,1,0,0,0,0|1,0,1]=4 6906 B8R0.4 CC/C=C\CCNCC 2230a_100015525214_100015370543 [1,1,0,0,0,0|1,0,1]=4 6907 B8R0.4 CC/C=C\CCOCC 34a_100016288707_100000210202 [1,1,0,0,0,0|1,0,1]=4 6908 B8R0.4 CC/C=C\CCOCC 34a_100121572206_100015370543 [1,1,0,0,0,0|1,0,1]=4 6909 B8R0.4 CC/C=C\CCOCC 7a_100016288707_100000210202 [1,1,0,0,0,0|1,0,1]=4 6910 B8R0.4 CC/C=C\CCSCC 62a_100000210202_100015370543 [1,1,0,0,0,0|1,0,1]=4 6911 B8R0.4 CC/C=C\CCSCC 62a_100015370543_100000210202 [1,1,0,0,0,0|1,0,1]=4 6912 B8R0.4 CC/C=C\COCC=O 34a_100016268518_200009817547 [1,1,0,0,0,0|0,0,2]=4 6913 B8R0.4 CC/C=C\COCCC 34a_100000210258_100103147603 [1,1,0,0,0,0|1,0,1]=4 6914 B8R0.4 CC/C=C\COCCC 34a_100016268518_100000210303 [1,1,0,0,0,0|1,0,1]=4 6915 B8R0.4 CC/C=C\CSCC=O 62a_100103147603_200015260668 [1,1,0,0,0,0|0,0,2]=4 6916 B8R0.4 CC/C=C\CSCC=O 62a_200015260668_100103147603 [1,1,0,0,0,0|0,0,2]=4 6917 B8R0.4 CC/C=C\CSCCC 62a_100000210303_100103147603 [1,1,0,0,0,0|1,0,1]=4 6918 B8R0.4 CC/C=C\CSCCC 62a_100103147603_100000210303 [1,1,0,0,0,0|1,0,1]=4 6919 B8R0.4 CC=C=CCCOCC 34a_100011020354_100000210202 [1,1,0,0,0,0|0,0,2]=4 6920 B8R0.4 CC=CCCCOCC 34a_100020645299_100000210202 [1,1,0,0,0,0|0,0,1]=3 6921 B8R0.4 CC=CCCCOCF 34a_100020645299_100015361967 [1,1,0,0,0,0|1,0,1]=4 6922 B8R0.4 CC=CCNCCCC 2230a_100000102301_100000070051 [1,1,0,0,0,0|0,0,1]=3 6923 B8R0.4 CC=CCNCCCC 7a_106832991798_100000070051 [1,1,0,0,0,0|0,0,1]=3 6924 B8R0.4 CC=CCNCCCF 2230a_100015189416_100000070051 [1,1,0,0,0,0|1,0,1]=4 6925 B8R0.4 CC=CCNCCCF 34a_100015189416_100000070051 [1,1,0,0,0,0|1,0,1]=4 6926 B8R0.4 CC=CCNCCOC 2230a_100000209980_100000070051 [1,1,0,0,0,0|1,0,1]=4 6927 B8R0.4 CC=CCNCCSC 2230a_100020590264_100000070051 [1,1,0,0,0,0|1,0,1]=4 6928 B8R0.4 CC=CCOCCCBr 34a_100011217188_100000070051 [1,1,0,0,0,0|1,0,1]=4 6929 B8R0.4 CC=CCOCCCC 34a_100000210227_100000070051 [1,1,0,0,0,0|0,0,1]=3 6930 B8R0.4 CC=CCOCCCC 7a_100000210227_100000070051 [1,1,0,0,0,0|0,0,1]=3 6931 B8R0.4 CC=CCOCCCCl 34a_100000230001_100000070051 [1,1,0,0,0,0|1,0,1]=4 6932 B8R0.4 CC=CCOCCCF 34a_100000759539_100000070051 [1,1,0,0,0,0|1,0,1]=4 6933 B8R0.4 CC=CCOCCCN 34a_100000182051_100000070051 [1,1,0,0,0,0|1,0,1]=4 6934 B8R0.4 CC=CCOCCOC 34a_100000210237_100000070051 [1,1,0,0,0,0|1,0,1]=4 6935 B8R0.4 CC=CCOCCSC 34a_100000230434_100000070051 [1,1,0,0,0,0|1,0,1]=4 6936 B8R0.4 CC=CCOCCSC 7a_100000230434_100000070051 [1,1,0,0,0,0|1,0,1]=4 6937 B8R0.4 CC=CCSCCCC 62a_100000070051_100000210210 [1,1,0,0,0,0|0,0,1]=3 6938 B8R0.4 CC=CCSCCCC 62a_100000210211_100000070051 [1,1,0,0,0,0|0,0,1]=3 6939 B8R0.4 CC=CCSCCCF 62a_100000070051_100011934791 [1,1,0,0,0,0|1,0,1]=4 6940 B8R0.4 CC=CCSCCCF 62a_100011934791_100000070051 [1,1,0,0,0,0|1,0,1]=4 6941 B8R0.4 CC=CCSCCCO 62a_100000070051_100011215043 [1,1,0,0,0,0|1,0,1]=4 6942 B8R0.4 CC=CCSCCCO 62a_100011215043_100000070051 [1,1,0,0,0,0|1,0,1]=4 6943 B8R0.4 CC=CCSCCOC 62a_100000070051_100000233755 [1,1,0,0,0,0|1,0,1]=4 6944 B8R0.4 CC=CCSCCOC 62a_100000233755_100000070051 [1,1,0,0,0,0|1,0,1]=4 6945 B8R0.4 CC=CCSCCSC 62a_100000070051_100000751147 [1,1,0,0,0,0|1,0,1]=4 6946 B8R0.4 CC=CCSCCSC 62a_100000212216_100000070051 [1,1,0,0,0,0|1,0,1]=4 6947 B8R0.4 CC=CCSCOCC 62a_100000070051_100000739092 [1,1,0,0,0,0|1,0,1]=4 6948 B8R0.4 CC=CCSCOCC 62a_100000739092_100000070051 [1,1,0,0,0,0|1,0,1]=4 6949 B8R0.4 CC=NNCCCCC 4a_100000694160_200000210099 [1,1,0,0,0,0|1,0,0]=3 6950 B8R0.4 CC=NNCCOCC 4a_100000732670_200000210099 [1,1,0,0,0,0|2,0,0]=4 6951 B8R0.4 CCC#CCOCC=O 34a_100000032950_200009817547 [1,1,0,0,0,0|0,0,2]=4 6952 B8R0.4 CCC#CCSCC=O 62a_100009813939_200015260668 [1,1,0,0,0,0|0,0,2]=4 6953 B8R0.4 CCC#CCSCC=O 62a_200015260668_100009813939 [1,1,0,0,0,0|0,0,2]=4 6954 B8R0.4 CCC=NNCCCC 4a_100025702795_100000210100 [1,1,0,0,0,0|2,0,0]=4 6955 B8R0.4 CCCC#CCCOC 34a_100000042726_200000210301 [1,1,0,0,0,0|1,0,1]=4 6956 B8R0.4 CCCC#CCCOC 7a_100000042726_200000210301 [1,1,0,0,0,0|1,0,1]=4 6957 B8R0.4 CCCC#CCCO[13CH3] 34a_100000042726_200025704644 [1,1,0,0,0,0|1,0,1]=4 6958 B8R0.4 CCCC#CCCO[13CH3] 7a_100000042726_200025704644 [1,1,0,0,0,0|1,0,1]=4 6959 B8R0.4 CCCC/C=C/COC 34a_200016272032_200000210301 [1,1,0,0,0,0|1,0,1]=4 6960 B8R0.4 CCCC/C=C/COC 7a_200016272032_200000210301 [1,1,0,0,0,0|1,0,1]=4 6961 B8R0.4 CCCC/C=C/CO[13CH3] 34a_200016272032_200025704644 [1,1,0,0,0,0|1,0,1]=4 6962 B8R0.4 CCCC/C=C/CO[13CH3] 7a_200016272032_200025704644 [1,1,0,0,0,0|1,0,1]=4 6963 B8R0.4 CCCCC#CCOC 34a_200000034558_200000210301 [1,1,0,0,0,0|1,0,1]=4 6964 B8R0.4 CCCCC#CCOC 7a_200000034558_200000210301 [1,1,0,0,0,0|1,0,1]=4 6965 B8R0.4 CCCCC#CCO[13CH3] 34a_200000034558_200025704644 [1,1,0,0,0,0|1,0,1]=4 6966 B8R0.4 CCCCC#CCO[13CH3] 7a_200000034558_200025704644 [1,1,0,0,0,0|1,0,1]=4 6967 B8R0.4 CCCCCCCNC 2230a_100000229938_200000210301 [1,1,0,0,0,0|0,0,1]=3 6968 B8R0.4 CCCCCCCNC 2230a_106832991635_100000210681 [1,1,0,0,0,0|0,0,1]=3 6969 B8R0.4 CCCCCCCNC 34a_100102657272_100000210614 [1,1,0,0,0,0|0,0,1]=3 6970 B8R0.4 CCCCCCCNC 7a_106832991635_100000210614 [1,1,0,0,0,0|0,0,1]=3 6971 B8R0.4 CCCCCCCN[13CH3] 2230a_100000229938_200025704644 [1,1,0,0,0,0|0,0,1]=3 6972 B8R0.4 CCCCCCCOC 34a_100000210272_200000210301 [1,1,0,0,0,0|0,0,1]=3 6973 B8R0.4 CCCCCCCOC 34a_100138415774_100000210614 [1,1,0,0,0,0|0,0,1]=3 6974 B8R0.4 CCCCCCCOC 7a_100000210272_200000210301 [1,1,0,0,0,0|0,0,1]=3 6975 B8R0.4 CCCCCCCO[13CH3] 34a_100000210272_200025704644 [1,1,0,0,0,0|0,0,1]=3 6976 B8R0.4 CCCCCCCO[13CH3] 7a_100000210272_200025704644 [1,1,0,0,0,0|0,0,1]=3 6977 B8R0.4 CCCCCCCSC 62a_100000210614_200000210301 [1,1,0,0,0,0|0,0,1]=3 6978 B8R0.4 CCCCCCCSC 62a_200000210301_100000210316 [1,1,0,0,0,0|0,0,1]=3 6979 B8R0.4 CCCCCCCS[13CH3] 62a_100000210614_200025704644 [1,1,0,0,0,0|0,0,1]=3 6980 B8R0.4 CCCCCCCS[13CH3] 62a_200025704644_100000210316 [1,1,0,0,0,0|0,0,1]=3 6981 B8R0.4 CCCCCCNCC 2230a_100000210581_100000210202 [1,1,0,0,0,0|0,0,1]=3 6982 B8R0.4 CCCCCCNCC 2230a_100015525214_100000210314 [1,1,0,0,0,0|0,0,1]=3 6983 B8R0.4 CCCCCCOCC 34a_100000210259_100000210202 [1,1,0,0,0,0|0,0,1]=3 6984 B8R0.4 CCCCCCOCC 34a_100121572206_100000210314 [1,1,0,0,0,0|0,0,1]=3 6985 B8R0.4 CCCCCCOCC 7a_100000210259_100000210202 [1,1,0,0,0,0|0,0,1]=3 6986 B8R0.4 CCCCCCOCF 34a_100000210259_100015361967 [1,1,0,0,0,0|1,0,0]=3 6987 B8R0.4 CCCCCCOCF 7a_100000210259_100015361967 [1,1,0,0,0,0|1,0,0]=3 6988 B8R0.4 CCCCCCSCC 62a_100000210202_100000210757 [1,1,0,0,0,0|0,0,1]=3 6989 B8R0.4 CCCCCCSCC 62a_100000210314_100000210202 [1,1,0,0,0,0|0,0,1]=3 6990 B8R0.4 CCCCCCSCF 62a_100000210314_100015361967 [1,1,0,0,0,0|1,0,0]=3 6991 B8R0.4 CCCCCCSCF 62a_100015361967_100000210757 [1,1,0,0,0,0|1,0,0]=3 6992 B8R0.4 CCCCCNCC#N 2230a_100000209983_100011215382 [1,1,0,0,0,0|1,0,1]=4 6993 B8R0.4 CCCCCNCC=O 2230a_100000209983_200015260668 [1,1,0,0,0,0|0,0,0]=2 6994 B8R0.4 CCCCCNCCC 2230a_100000209983_100000210303 [1,1,0,0,0,0|0,0,1]=3 6995 B8R0.4 CCCCCNCCF 2230a_100000209983_100011217306 [1,1,0,0,0,0|1,0,1]=4 6996 B8R0.4 CCCCCNCCF 34a_100000724931_100000718602 [1,1,0,0,0,0|1,0,1]=4 6997 B8R0.4 CCCCCNCCO 2230a_100000209983_100000211926 [1,1,0,0,0,0|0,0,2]=4 6998 B8R0.4 CCCCCNCCO 2230a_100016997473_100000210326 [1,1,0,0,0,0|0,0,2]=4 6999 B8R0.4 CCCCCNCCO 34a_100016990907_100000718602 [1,1,0,0,0,0|0,0,2]=4 7000 B8R0.4 CCCCCNCOC 2230a_100000209983_100000766300 [1,1,0,0,0,0|1,0,0]=3 7001 B8R0.4 CCCCCNCSC 2230a_100000209983_100011218213 [1,1,0,0,0,0|1,0,0]=3 7002 B8R0.4 CCCCCOCC#N 7a_100000210253_100011215382 [1,1,0,0,0,0|1,0,1]=4 7003 B8R0.4 CCCCCOCC=O 34a_100000210253_200009817547 [1,1,0,0,0,0|0,0,0]=2 7004 B8R0.4 CCCCCOCC=O 7a_100000210253_200015260668 [1,1,0,0,0,0|0,0,0]=2 7005 B8R0.4 CCCCCOCCBr 34a_100000211926_100000718602 [1,1,0,0,0,0|1,0,1]=4 7006 B8R0.4 CCCCCOCCC 34a_100000210253_100000210303 [1,1,0,0,0,0|0,0,1]=3 7007 B8R0.4 CCCCCOCCC 34a_100000210258_100000718602 [1,1,0,0,0,0|0,0,1]=3 7008 B8R0.4 CCCCCOCCC 7a_100000210253_100000210303 [1,1,0,0,0,0|0,0,1]=3 7009 B8R0.4 CCCCCOCCF 34a_100000210253_100011217306 [1,1,0,0,0,0|1,0,1]=4 7010 B8R0.4 CCCCCOCCF 7a_100000210253_100011217306 [1,1,0,0,0,0|1,0,1]=4 7011 B8R0.4 CCCCCOCCN 34a_100000210304_100000718602 [1,1,0,0,0,0|1,0,1]=4 7012 B8R0.4 CCCCCOCCO 34a_100000210253_100000211926 [1,1,0,0,0,0|0,0,2]=4 7013 B8R0.4 CCCCCOCCO 7a_100000210253_100000211926 [1,1,0,0,0,0|0,0,2]=4 7014 B8R0.4 CCCCCOCSC 34a_100000210253_100011218213 [1,1,0,0,0,0|1,0,0]=3 7015 B8R0.4 CCCCCSCC#N 62a_100000210326_100011215382 [1,1,0,0,0,0|1,0,1]=4 7016 B8R0.4 CCCCCSCC#N 62a_100011215382_100000210326 [1,1,0,0,0,0|1,0,1]=4 7017 B8R0.4 CCCCCSCC=O 62a_100000210326_200015260668 [1,1,0,0,0,0|0,0,0]=2 7018 B8R0.4 CCCCCSCC=O 62a_200015260668_100000210326 [1,1,0,0,0,0|0,0,0]=2 7019 B8R0.4 CCCCCSCCC 62a_100000210303_100000210326 [1,1,0,0,0,0|0,0,1]=3 7020 B8R0.4 CCCCCSCCC 62a_100000210326_100000210303 [1,1,0,0,0,0|0,0,1]=3 7021 B8R0.4 CCCCCSCCF 62a_100000210326_100011217306 [1,1,0,0,0,0|1,0,1]=4 7022 B8R0.4 CCCCCSCCF 62a_100011217306_100000210326 [1,1,0,0,0,0|1,0,1]=4 7023 B8R0.4 CCCCCSCCO 62a_100000210326_100000211926 [1,1,0,0,0,0|0,0,2]=4 7024 B8R0.4 CCCCCSCCO 62a_100000211926_100000210326 [1,1,0,0,0,0|0,0,2]=4 7025 B8R0.4 CCCCCSCOC 62a_100000210326_100000766300 [1,1,0,0,0,0|1,0,0]=3 7026 B8R0.4 CCCCCSCOC 62a_100000766300_100000210326 [1,1,0,0,0,0|1,0,0]=3 7027 B8R0.4 CCCCCSCSC 62a_100000210326_100011218213 [1,1,0,0,0,0|1,0,0]=3 7028 B8R0.4 CCCCCSCSC 62a_100011218213_100000210326 [1,1,0,0,0,0|1,0,0]=3 7029 B8R0.4 CCCCNCCC#N 2230a_100000102301_100011215226 [1,1,0,0,0,0|1,0,1]=4 7030 B8R0.4 CCCCNCCC#N 7a_106832991798_100000184422 [1,1,0,0,0,0|1,0,1]=4 7031 B8R0.4 CCCCNCCCC 2230a_100000102301_100000210211 [1,1,0,0,0,0|0,0,1]=3 7032 B8R0.4 CCCCNCCCC 7a_106832991798_100000210211 [1,1,0,0,0,0|0,0,1]=3 7033 B8R0.4 CCCCNCCCF 2230a_100000102301_100011934791 [1,1,0,0,0,0|1,0,1]=4 7034 B8R0.4 CCCCNCCCF 2230a_100015189416_100000210211 [1,1,0,0,0,0|1,0,1]=4 7035 B8R0.4 CCCCNCCCF 34a_100015189416_100000210210 [1,1,0,0,0,0|1,0,1]=4 7036 B8R0.4 CCCCNCCCF 7a_106832991798_100011934791 [1,1,0,0,0,0|1,0,1]=4 7037 B8R0.4 CCCCNCCCO 2230a_100000102301_100000230001 [1,1,0,0,0,0|0,0,2]=4 7038 B8R0.4 CCCCNCCCO 7a_106832991798_100011215043 [1,1,0,0,0,0|0,0,2]=4 7039 B8R0.4 CCCCNCCOC 2230a_100000102301_100011201679 [1,1,0,0,0,0|1,0,0]=3 7040 B8R0.4 CCCCNCCOC 2230a_100000209980_100000210211 [1,1,0,0,0,0|1,0,0]=3 7041 B8R0.4 CCCCNCCOC 7a_106832991798_100000233755 [1,1,0,0,0,0|1,0,0]=3 7042 B8R0.4 CCCCNCCSC 2230a_100000102301_100000751147 [1,1,0,0,0,0|1,0,0]=3 7043 B8R0.4 CCCCNCCSC 2230a_100020590264_100000210211 [1,1,0,0,0,0|1,0,0]=3 7044 B8R0.4 CCCCNCCSC 7a_106832991798_100000212216 [1,1,0,0,0,0|1,0,0]=3 7045 B8R0.4 CCCCOCCC#N 7a_100000210227_100000184422 [1,1,0,0,0,0|1,0,1]=4 7046 B8R0.4 CCCCOCCCBr 34a_100011217188_100000210210 [1,1,0,0,0,0|1,0,1]=4 7047 B8R0.4 CCCCOCCCC 34a_100000210227_100000210210 [1,1,0,0,0,0|0,0,1]=3 7048 B8R0.4 CCCCOCCCC 7a_100000210227_100000210211 [1,1,0,0,0,0|0,0,1]=3 7049 B8R0.4 CCCCOCCCCl 34a_100000230001_100000210210 [1,1,0,0,0,0|1,0,1]=4 7050 B8R0.4 CCCCOCCCF 34a_100000210227_100011934791 [1,1,0,0,0,0|1,0,1]=4 7051 B8R0.4 CCCCOCCCF 34a_100000759539_100000210210 [1,1,0,0,0,0|1,0,1]=4 7052 B8R0.4 CCCCOCCCF 7a_100000210227_100011934791 [1,1,0,0,0,0|1,0,1]=4 7053 B8R0.4 CCCCOCCCN 34a_100000182051_100000210210 [1,1,0,0,0,0|1,0,1]=4 7054 B8R0.4 CCCCOCCCO 34a_100000210227_100000230001 [1,1,0,0,0,0|0,0,2]=4 7055 B8R0.4 CCCCOCCCO 7a_100000210227_100011215043 [1,1,0,0,0,0|0,0,2]=4 7056 B8R0.4 CCCCOCCNC 2230a_106832991635_100000743108 [1,1,0,0,0,0|1,0,0]=3 7057 B8R0.4 CCCCOCCNC 34a_100102657272_100000743108 [1,1,0,0,0,0|1,0,0]=3 7058 B8R0.4 CCCCOCCNC 7a_106832991635_100000743108 [1,1,0,0,0,0|1,0,0]=3 7059 B8R0.4 CCCCOCCOC 34a_100000210227_100011201679 [1,1,0,0,0,0|1,0,0]=3 7060 B8R0.4 CCCCOCCOC 34a_100000210237_100000210210 [1,1,0,0,0,0|1,0,0]=3 7061 B8R0.4 CCCCOCCOC 34a_100000210238_200000210301 [1,1,0,0,0,0|1,0,0]=3 7062 B8R0.4 CCCCOCCOC 34a_100138415774_100000743108 [1,1,0,0,0,0|1,0,0]=3 7063 B8R0.4 CCCCOCCOC 7a_100000210227_100000233755 [1,1,0,0,0,0|1,0,0]=3 7064 B8R0.4 CCCCOCCOC 7a_100000210238_200000210301 [1,1,0,0,0,0|1,0,0]=3 7065 B8R0.4 CCCCOCCON 34a_100000700252_100000210210 [1,1,0,0,0,0|2,0,0]=4 7066 B8R0.4 CCCCOCCO[13CH3] 34a_100000210238_200025704644 [1,1,0,0,0,0|1,0,0]=3 7067 B8R0.4 CCCCOCCO[13CH3] 7a_100000210238_200025704644 [1,1,0,0,0,0|1,0,0]=3 7068 B8R0.4 CCCCOCCSC 34a_100000210227_100000212216 [1,1,0,0,0,0|1,0,0]=3 7069 B8R0.4 CCCCOCCSC 34a_100000230434_100000210210 [1,1,0,0,0,0|1,0,0]=3 7070 B8R0.4 CCCCOCCSC 62a_100000743108_200000210301 [1,1,0,0,0,0|1,0,0]=3 7071 B8R0.4 CCCCOCCSC 62a_200000210301_100000743108 [1,1,0,0,0,0|1,0,0]=3 7072 B8R0.4 CCCCOCCSC 7a_100000210227_100000212216 [1,1,0,0,0,0|1,0,0]=3 7073 B8R0.4 CCCCOCCSC 7a_100000230434_100000210211 [1,1,0,0,0,0|1,0,0]=3 7074 B8R0.4 CCCCOCCS[13CH3] 62a_100000743108_200025704644 [1,1,0,0,0,0|1,0,0]=3 7075 B8R0.4 CCCCOCCS[13CH3] 62a_200025704644_100000743108 [1,1,0,0,0,0|1,0,0]=3 7076 B8R0.4 CCCCOCNCC 2230a_100015525214_100011995733 [1,1,0,0,0,0|1,0,1]=4 7077 B8R0.4 CCCCOCOCC 34a_100121572206_100011995733 [1,1,0,0,0,0|1,0,1]=4 7078 B8R0.4 CCCCOCSCC 62a_100000210202_100011995733 [1,1,0,0,0,0|1,0,1]=4 7079 B8R0.4 CCCCOCSCC 62a_100011995733_100000210202 [1,1,0,0,0,0|1,0,1]=4 7080 B8R0.4 CCCCOCSCF 62a_100011995733_100015361967 [1,1,0,0,0,0|2,0,0]=4 7081 B8R0.4 CCCCOCSCF 62a_100015361967_100011995733 [1,1,0,0,0,0|2,0,0]=4 7082 B8R0.4 CCCCSCCC#N 62a_100000210211_100011215226 [1,1,0,0,0,0|1,0,1]=4 7083 B8R0.4 CCCCSCCC#N 62a_100011215226_100000210210 [1,1,0,0,0,0|1,0,1]=4 7084 B8R0.4 CCCCSCCCC 62a_100000210211_100000210210 [1,1,0,0,0,0|0,0,1]=3 7085 B8R0.4 CCCCSCCCF 62a_100000210211_100011934791 [1,1,0,0,0,0|1,0,1]=4 7086 B8R0.4 CCCCSCCCF 62a_100011934791_100000210210 [1,1,0,0,0,0|1,0,1]=4 7087 B8R0.4 CCCCSCCCO 62a_100000210211_100011215043 [1,1,0,0,0,0|0,0,2]=4 7088 B8R0.4 CCCCSCCCO 62a_100011215043_100000210210 [1,1,0,0,0,0|0,0,2]=4 7089 B8R0.4 CCCCSCCNC 2230a_100025743550_200000210301 [1,1,0,0,0,0|1,0,0]=3 7090 B8R0.4 CCCCSCCN[13CH3] 2230a_100025743550_200025704644 [1,1,0,0,0,0|1,0,0]=3 7091 B8R0.4 CCCCSCCOC 34a_200000230436_200000210301 [1,1,0,0,0,0|1,0,0]=3 7092 B8R0.4 CCCCSCCOC 62a_100000210211_100000233755 [1,1,0,0,0,0|1,0,0]=3 7093 B8R0.4 CCCCSCCOC 62a_100000233755_100000210210 [1,1,0,0,0,0|1,0,0]=3 7094 B8R0.4 CCCCSCCOC 7a_200000230436_200000210301 [1,1,0,0,0,0|1,0,0]=3 7095 B8R0.4 CCCCSCCO[13CH3] 34a_200000230436_200025704644 [1,1,0,0,0,0|1,0,0]=3 7096 B8R0.4 CCCCSCCO[13CH3] 7a_200000230436_200025704644 [1,1,0,0,0,0|1,0,0]=3 7097 B8R0.4 CCCCSCCSC 62a_100000210211_100000751147 [1,1,0,0,0,0|1,0,0]=3 7098 B8R0.4 CCCCSCCSC 62a_100000212216_100000210210 [1,1,0,0,0,0|1,0,0]=3 7099 B8R0.4 CCCCSCOCC 62a_100000210211_100000739092 [1,1,0,0,0,0|1,0,1]=4 7100 B8R0.4 CCCCSCOCC 62a_100000739092_100000210210 [1,1,0,0,0,0|1,0,1]=4 7101 B8R0.4 CCCNCCCCO 2230a_100000750430_100000210303 [1,1,0,0,0,0|0,0,2]=4 7102 B8R0.4 CCCNCCCCO 34a_100000750430_100000210303 [1,1,0,0,0,0|0,0,2]=4 7103 B8R0.4 CCCNCCCOC 34a_100150723488_100000210303 [1,1,0,0,0,0|1,0,0]=3 7104 B8R0.4 CCCNCCCSC 2230a_100000749238_100000210303 [1,1,0,0,0,0|1,0,0]=3 7105 B8R0.4 CCCNCCOCC 2230a_102516460346_100000210303 [1,1,0,0,0,0|1,0,1]=4 7106 B8R0.4 CCCNCCOCC 34a_102516460346_100000210303 [1,1,0,0,0,0|1,0,1]=4 7107 B8R0.4 CCCNCCSCC 2230a_100000106463_100000210303 [1,1,0,0,0,0|1,0,1]=4 7108 B8R0.4 CCCOCCCCBr 34a_100011216708_100000210303 [1,1,0,0,0,0|1,0,1]=4 7109 B8R0.4 CCCOCCCCCl 34a_100000210776_100000210303 [1,1,0,0,0,0|1,0,1]=4 7110 B8R0.4 CCCOCCCCCl 7a_100000210776_100000210303 [1,1,0,0,0,0|1,0,1]=4 7111 B8R0.4 CCCOCCCCF 34a_100000210258_100000729493 [1,1,0,0,0,0|1,0,1]=4 7112 B8R0.4 CCCOCCCCF 34a_100011995726_100000210303 [1,1,0,0,0,0|1,0,1]=4 7113 B8R0.4 CCCOCCCCF 7a_100011995726_100000210303 [1,1,0,0,0,0|1,0,1]=4 7114 B8R0.4 CCCOCCCCI 34a_200012148704_100000210303 [1,1,0,0,0,0|1,0,1]=4 7115 B8R0.4 CCCOCCCCN 34a_100000750430_100000210303 [1,1,0,0,0,0|1,0,1]=4 7116 B8R0.4 CCCOCCCCO 34a_100000210258_100011216708 [1,1,0,0,0,0|0,0,2]=4 7117 B8R0.4 CCCOCCCNC 2230a_100011217757_200000210301 [1,1,0,0,0,0|1,0,0]=3 7118 B8R0.4 CCCOCCCNC 34a_100000213112_100000210303 [1,1,0,0,0,0|1,0,0]=3 7119 B8R0.4 CCCOCCCNC 34a_100011217757_200000210301 [1,1,0,0,0,0|1,0,0]=3 7120 B8R0.4 CCCOCCCN[13CH3] 2230a_100011217757_200025704644 [1,1,0,0,0,0|1,0,0]=3 7121 B8R0.4 CCCOCCCN[13CH3] 34a_100011217757_200025704644 [1,1,0,0,0,0|1,0,0]=3 7122 B8R0.4 CCCOCCCOC 34a_100000210258_100000740836 [1,1,0,0,0,0|1,0,0]=3 7123 B8R0.4 CCCOCCCOC 34a_100000740835_100000210303 [1,1,0,0,0,0|1,0,0]=3 7124 B8R0.4 CCCOCCCSC 34a_100000690336_100000210303 [1,1,0,0,0,0|1,0,0]=3 7125 B8R0.4 CCCOCCCSC 7a_100000690336_100000210303 [1,1,0,0,0,0|1,0,0]=3 7126 B8R0.4 CCCOCCNCC 2230a_100015525214_100011215938 [1,1,0,0,0,0|1,0,1]=4 7127 B8R0.4 CCCOCCNCC 2230a_100161115042_100000210202 [1,1,0,0,0,0|1,0,1]=4 7128 B8R0.4 CCCOCCNCC 34a_100161115042_100000210202 [1,1,0,0,0,0|1,0,1]=4 7129 B8R0.4 CCCOCCNCF 34a_100161115042_100015361967 [1,1,0,0,0,0|2,0,0]=4 7130 B8R0.4 CCCOCCOCC 34a_100000210136_100000210303 [1,1,0,0,0,0|1,0,1]=4 7131 B8R0.4 CCCOCCOCC 34a_100000210258_100000210147 [1,1,0,0,0,0|1,0,1]=4 7132 B8R0.4 CCCOCCOCC 34a_100000752267_100000210202 [1,1,0,0,0,0|1,0,1]=4 7133 B8R0.4 CCCOCCOCC 34a_100121572206_100011215938 [1,1,0,0,0,0|1,0,1]=4 7134 B8R0.4 CCCOCCOCC 7a_100000210136_100000210303 [1,1,0,0,0,0|1,0,1]=4 7135 B8R0.4 CCCOCCOCC 7a_100000752267_100000210202 [1,1,0,0,0,0|1,0,1]=4 7136 B8R0.4 CCCOCCOCF 34a_100000752267_100015361967 [1,1,0,0,0,0|2,0,0]=4 7137 B8R0.4 CCCOCCOCF 7a_100000752267_100015361967 [1,1,0,0,0,0|2,0,0]=4 7138 B8R0.4 CCCOCCSCC 34a_100000210258_100000757381 [1,1,0,0,0,0|1,0,1]=4 7139 B8R0.4 CCCOCCSCC 34a_100000212035_100000210303 [1,1,0,0,0,0|1,0,1]=4 7140 B8R0.4 CCCOCCSCC 62a_100000210202_100011215938 [1,1,0,0,0,0|1,0,1]=4 7141 B8R0.4 CCCOCCSCC 62a_100011215938_100000210202 [1,1,0,0,0,0|1,0,1]=4 7142 B8R0.4 CCCOCCSCC 7a_100000212035_100000210303 [1,1,0,0,0,0|1,0,1]=4 7143 B8R0.4 CCCOCCSCF 62a_100011215938_100015361967 [1,1,0,0,0,0|2,0,0]=4 7144 B8R0.4 CCCOCCSCF 62a_100015361967_100011215938 [1,1,0,0,0,0|2,0,0]=4 7145 B8R0.4 CCCSCCCC#N 62a_100000210303_100000687738 [1,1,0,0,0,0|1,0,1]=4 7146 B8R0.4 CCCSCCCC#N 62a_100000687738_100000210303 [1,1,0,0,0,0|1,0,1]=4 7147 B8R0.4 CCCSCCCC=O 62a_100000210303_200011292268 [1,1,0,0,0,0|0,0,0]=2 7148 B8R0.4 CCCSCCCC=O 62a_200011292268_100000210303 [1,1,0,0,0,0|0,0,0]=2 7149 B8R0.4 CCCSCCCCF 62a_100000210303_100000729493 [1,1,0,0,0,0|1,0,1]=4 7150 B8R0.4 CCCSCCCCF 62a_100000729493_100000210303 [1,1,0,0,0,0|1,0,1]=4 7151 B8R0.4 CCCSCCCCO 62a_100000210303_100000210776 [1,1,0,0,0,0|0,0,2]=4 7152 B8R0.4 CCCSCCCCO 62a_100000210776_100000210303 [1,1,0,0,0,0|0,0,2]=4 7153 B8R0.4 CCCSCCCOC 62a_100000210303_100000709357 [1,1,0,0,0,0|1,0,0]=3 7154 B8R0.4 CCCSCCCOC 62a_100000709357_100000210303 [1,1,0,0,0,0|1,0,0]=3 7155 B8R0.4 CCCSCCNCC 2230a_100020603323_100000210202 [1,1,0,0,0,0|1,0,1]=4 7156 B8R0.4 CCCSCCOCC 34a_200000230433_100000210202 [1,1,0,0,0,0|1,0,1]=4 7157 B8R0.4 CCCSCCOCC 62a_100000210147_100000210303 [1,1,0,0,0,0|1,0,1]=4 7158 B8R0.4 CCCSCCOCC 62a_100000210303_100011215890 [1,1,0,0,0,0|1,0,1]=4 7159 B8R0.4 CCCSCCOCC 7a_200000230433_100000210202 [1,1,0,0,0,0|1,0,1]=4 7160 B8R0.4 CCCSCCOCF 34a_200000230433_100015361967 [1,1,0,0,0,0|2,0,0]=4 7161 B8R0.4 CCCSCCOCF 7a_200000230433_100015361967 [1,1,0,0,0,0|2,0,0]=4 7162 B8R0.4 CCCSCCSCC 62a_100000210303_100000757381 [1,1,0,0,0,0|1,0,1]=4 7163 B8R0.4 CCCSCCSCC 62a_100000757381_100000210303 [1,1,0,0,0,0|1,0,1]=4 7164 B8R0.4 CCNCCCCC#N 2230a_100015525214_100000211819 [1,1,0,0,0,0|1,0,1]=4 7165 B8R0.4 CCNCCCCC=O 2230a_100015525214_100000139335 [1,1,0,0,0,0|0,0,0]=2 7166 B8R0.4 CCNCCCCCF 2230a_100015525214_100000729378 [1,1,0,0,0,0|1,0,1]=4 7167 B8R0.4 CCNCCCCCO 2230a_100000762737_100000210202 [1,1,0,0,0,0|0,0,2]=4 7168 B8R0.4 CCNCCCCCO 2230a_100015525214_100000746330 [1,1,0,0,0,0|0,0,2]=4 7169 B8R0.4 CCNCCCCCO 34a_100000762737_100000210202 [1,1,0,0,0,0|0,0,2]=4 7170 B8R0.4 CCNCCCCOC 2230a_100015525214_100000730899 [1,1,0,0,0,0|1,0,0]=3 7171 B8R0.4 CCNCCCOCC 2230a_100000210961_100000210202 [1,1,0,0,0,0|1,0,1]=4 7172 B8R0.4 CCNCCCOCC 2230a_100015525214_100012232248 [1,1,0,0,0,0|1,0,1]=4 7173 B8R0.4 CCNCCCOCC 34a_100000210961_100000210202 [1,1,0,0,0,0|1,0,1]=4 7174 B8R0.4 CCNCOCCOC 2230a_100015525214_100000231047 [1,1,0,0,0,0|2,0,0]=4 7175 B8R0.4 CCOCCCCCBr 34a_100000746331_100000210202 [1,1,0,0,0,0|1,0,1]=4 7176 B8R0.4 CCOCCCCCBr 7a_100000746331_100000210202 [1,1,0,0,0,0|1,0,1]=4 7177 B8R0.4 CCOCCCCCCl 34a_100000746330_100000210202 [1,1,0,0,0,0|1,0,1]=4 7178 B8R0.4 CCOCCCCCCl 7a_100000746330_100000210202 [1,1,0,0,0,0|1,0,1]=4 7179 B8R0.4 CCOCCCCCF 34a_100121572206_100000729378 [1,1,0,0,0,0|1,0,1]=4 7180 B8R0.4 CCOCCCCCI 34a_200012148887_100000210202 [1,1,0,0,0,0|1,0,1]=4 7181 B8R0.4 CCOCCCCCI 7a_200012148887_100000210202 [1,1,0,0,0,0|1,0,1]=4 7182 B8R0.4 CCOCCCCCN 34a_100000762737_100000210202 [1,1,0,0,0,0|1,0,1]=4 7183 B8R0.4 CCOCCCCCO 34a_100121572206_100000746330 [1,1,0,0,0,0|0,0,2]=4 7184 B8R0.4 CCOCCCCOC 34a_100000740925_100000210202 [1,1,0,0,0,0|1,0,0]=3 7185 B8R0.4 CCOCCCCOC 34a_100121572206_100000755781 [1,1,0,0,0,0|1,0,0]=3 7186 B8R0.4 CCOCCCCSC 34a_100011217163_100000210202 [1,1,0,0,0,0|1,0,0]=3 7187 B8R0.4 CCOCCCCSC 7a_100011217163_100000210202 [1,1,0,0,0,0|1,0,0]=3 7188 B8R0.4 CCOCCCNCF 34a_100000210961_100015361967 [1,1,0,0,0,0|2,0,0]=4 7189 B8R0.4 CCOCCCOCC 34a_100000757476_100000210202 [1,1,0,0,0,0|1,0,1]=4 7190 B8R0.4 CCOCCCOCC 34a_100121572206_100012232248 [1,1,0,0,0,0|1,0,1]=4 7191 B8R0.4 CCOCCCOCC 7a_100000757476_100000210202 [1,1,0,0,0,0|1,0,1]=4 7192 B8R0.4 CCOCCCOCF 34a_100000757476_100015361967 [1,1,0,0,0,0|2,0,0]=4 7193 B8R0.4 CCOCCCOCF 7a_100000757476_100015361967 [1,1,0,0,0,0|2,0,0]=4 7194 B8R0.4 CCOCCCSCC 34a_100011216438_100000210202 [1,1,0,0,0,0|1,0,1]=4 7195 B8R0.4 CCOCCCSCC 62a_100000210202_100012232248 [1,1,0,0,0,0|1,0,1]=4 7196 B8R0.4 CCOCCCSCC 62a_100012232248_100000210202 [1,1,0,0,0,0|1,0,1]=4 7197 B8R0.4 CCOCCCSCC 7a_100011216438_100000210202 [1,1,0,0,0,0|1,0,1]=4 7198 B8R0.4 CCOCCCSCF 62a_100012232248_100015361967 [1,1,0,0,0,0|2,0,0]=4 7199 B8R0.4 CCOCCCSCF 62a_100015361967_100012232248 [1,1,0,0,0,0|2,0,0]=4 7200 B8R0.4 CCOCCNCC=O 2230a_102516460346_200015260668 [1,1,0,0,0,0|1,0,0]=3 7201 B8R0.4 CCOCCNCC=O 34a_102516460346_200009817547 [1,1,0,0,0,0|1,0,0]=3 7202 B8R0.4 CCOCCNCOC 2230a_102516460346_100000766300 [1,1,0,0,0,0|2,0,0]=4 7203 B8R0.4 CCOCCNCSC 2230a_102516460346_100011218213 [1,1,0,0,0,0|2,0,0]=4 7204 B8R0.4 CCOCCNCSC 34a_102516460346_100011218213 [1,1,0,0,0,0|2,0,0]=4 7205 B8R0.4 CCOCCOCC=O 34a_100000210136_200009817547 [1,1,0,0,0,0|1,0,0]=3 7206 B8R0.4 CCOCCOCC=O 7a_100000210136_200015260668 [1,1,0,0,0,0|1,0,0]=3 7207 B8R0.4 CCOCCOCSC 34a_100000210136_100011218213 [1,1,0,0,0,0|2,0,0]=4 7208 B8R0.4 CCOCCSCC=O 62a_100000210147_200015260668 [1,1,0,0,0,0|1,0,0]=3 7209 B8R0.4 CCOCCSCC=O 62a_200015260668_100011215890 [1,1,0,0,0,0|1,0,0]=3 7210 B8R0.4 CCOCCSCOC 62a_100000210147_100000766300 [1,1,0,0,0,0|2,0,0]=4 7211 B8R0.4 CCOCCSCOC 62a_100000766300_100011215890 [1,1,0,0,0,0|2,0,0]=4 7212 B8R0.4 CCOCCSCSC 62a_100000210147_100011218213 [1,1,0,0,0,0|2,0,0]=4 7213 B8R0.4 CCOCCSCSC 62a_100011218213_100011215890 [1,1,0,0,0,0|2,0,0]=4 7214 B8R0.4 CCOCSCCOC 62a_100000233755_100000739092 [1,1,0,0,0,0|2,0,0]=4 7215 B8R0.4 CCOCSCCOC 62a_100000739092_100000233755 [1,1,0,0,0,0|2,0,0]=4 7216 B8R0.4 CCOCSCCSC 62a_100000212216_100000739092 [1,1,0,0,0,0|2,0,0]=4 7217 B8R0.4 CCOCSCCSC 62a_100000739092_100000751147 [1,1,0,0,0,0|2,0,0]=4 7218 B8R0.4 CCSCCCCC#N 62a_100000210202_100000211819 [1,1,0,0,0,0|1,0,1]=4 7219 B8R0.4 CCSCCCCC#N 62a_100011219923_100000210202 [1,1,0,0,0,0|1,0,1]=4 7220 B8R0.4 CCSCCCCC=O 62a_100000139335_100000210202 [1,1,0,0,0,0|0,0,0]=2 7221 B8R0.4 CCSCCCCC=O 62a_100000210202_100000139335 [1,1,0,0,0,0|0,0,0]=2 7222 B8R0.4 CCSCCCCCF 62a_100000210202_100000729378 [1,1,0,0,0,0|1,0,1]=4 7223 B8R0.4 CCSCCCCCF 62a_100000729378_100000210202 [1,1,0,0,0,0|1,0,1]=4 7224 B8R0.4 CCSCCCCCO 62a_100000210202_100000746330 [1,1,0,0,0,0|0,0,2]=4 7225 B8R0.4 CCSCCCCCO 62a_100000746330_100000210202 [1,1,0,0,0,0|0,0,2]=4 7226 B8R0.4 CCSCCCCOC 62a_100000210202_100000730899 [1,1,0,0,0,0|1,0,0]=3 7227 B8R0.4 CCSCCCCOC 62a_100000730899_100000210202 [1,1,0,0,0,0|1,0,0]=3 7228 B8R0.4 CCSCCCOCF 34a_100011216438_100015361967 [1,1,0,0,0,0|2,0,0]=4 7229 B8R0.4 CCSCCCOCF 7a_100011216438_100015361967 [1,1,0,0,0,0|2,0,0]=4 7230 B8R0.4 CCSCCNCC=O 2230a_100000106463_200015260668 [1,1,0,0,0,0|1,0,0]=3 7231 B8R0.4 CCSCCNCOC 2230a_100000106463_100000766300 [1,1,0,0,0,0|2,0,0]=4 7232 B8R0.4 CCSCCNCSC 2230a_100000106463_100011218213 [1,1,0,0,0,0|2,0,0]=4 7233 B8R0.4 CCSCCOCC=O 34a_100000212035_200009817547 [1,1,0,0,0,0|1,0,0]=3 7234 B8R0.4 CCSCCOCC=O 7a_100000212035_200015260668 [1,1,0,0,0,0|1,0,0]=3 7235 B8R0.4 CCSCCOCSC 34a_100000212035_100011218213 [1,1,0,0,0,0|2,0,0]=4 7236 B8R0.4 CCSCCSCC=O 62a_100000757381_200015260668 [1,1,0,0,0,0|1,0,0]=3 7237 B8R0.4 CCSCCSCC=O 62a_200015260668_100000757381 [1,1,0,0,0,0|1,0,0]=3 7238 B8R0.4 CCSCCSCOC 62a_100000757381_100000766300 [1,1,0,0,0,0|2,0,0]=4 7239 B8R0.4 CCSCCSCOC 62a_100000766300_100000757381 [1,1,0,0,0,0|2,0,0]=4 7240 B8R0.4 CCSCCSCSC 62a_100000757381_100011218213 [1,1,0,0,0,0|2,0,0]=4 7241 B8R0.4 CCSCCSCSC 62a_100011218213_100000757381 [1,1,0,0,0,0|2,0,0]=4 7242 B8R0.4 CCSCOCCOC 62a_100000210202_100000231047 [1,1,0,0,0,0|2,0,0]=4 7243 B8R0.4 CCSCOCCOC 62a_100000231047_100000210202 [1,1,0,0,0,0|2,0,0]=4 7244 B8R0.4 CNCCCCCC#N 2230a_106832991635_100009813376 [1,1,0,0,0,0|1,0,1]=4 7245 B8R0.4 CNCCCCCC#N 7a_106832991635_100009813376 [1,1,0,0,0,0|1,0,1]=4 7246 B8R0.4 CNCCCCCC=O 2230a_106832991635_100000139337 [1,1,0,0,0,0|0,0,0]=2 7247 B8R0.4 CNCCCCCC=O 7a_106832991635_100000139337 [1,1,0,0,0,0|0,0,0]=2 7248 B8R0.4 CNCCCCCCF 2230a_106832991635_100015922095 [1,1,0,0,0,0|1,0,0]=3 7249 B8R0.4 CNCCCCCCF 34a_100102657272_100015922095 [1,1,0,0,0,0|1,0,0]=3 7250 B8R0.4 CNCCCCCCF 7a_106832991635_100015922095 [1,1,0,0,0,0|1,0,0]=3 7251 B8R0.4 CNCCCCCCO 2230a_100000686447_200000210301 [1,1,0,0,0,0|1,0,0]=3 7252 B8R0.4 CNCCCCCCO 2230a_106832991635_100000766143 [1,1,0,0,0,0|1,0,0]=3 7253 B8R0.4 CNCCCCCCO 34a_100000686447_200000210301 [1,1,0,0,0,0|1,0,0]=3 7254 B8R0.4 CNCCCCCCO 34a_100102657272_100000766143 [1,1,0,0,0,0|1,0,0]=3 7255 B8R0.4 CNCCCCCCO 7a_106832991635_100000766143 [1,1,0,0,0,0|1,0,0]=3 7256 B8R0.4 CNCCCCCOC 2230a_100000747528_200000210301 [1,1,0,0,0,0|1,0,0]=3 7257 B8R0.4 CNCCCCCOC 34a_100000722520_200000210301 [1,1,0,0,0,0|1,0,0]=3 7258 B8R0.4 CNCCCCCOC 34a_100000747528_200000210301 [1,1,0,0,0,0|1,0,0]=3 7259 B8R0.4 CNCCCCCO[13CH3] 34a_100000722520_200025704644 [1,1,0,0,0,0|1,0,0]=3 7260 B8R0.4 CNCCCOCC=O 34a_100000213112_200009817547 [1,1,0,0,0,0|1,0,0]=3 7261 B8R0.4 CNCCCOCCF 34a_100000213112_100011217306 [1,1,0,0,0,0|2,0,0]=4 7262 B8R0.4 CNCCCOCCO 34a_100000213112_100000211926 [1,1,0,0,0,0|2,0,0]=4 7263 B8R0.4 CNCCCOCSC 34a_100000213112_100011218213 [1,1,0,0,0,0|2,0,0]=4 7264 B8R0.4 CNCCOCCOC 2230a_100000745349_200000210301 [1,1,0,0,0,0|2,0,0]=4 7265 B8R0.4 CNCCOCCOC 2230a_106832991635_100000695917 [1,1,0,0,0,0|2,0,0]=4 7266 B8R0.4 CNCCOCCOC 34a_100000228057_200000210301 [1,1,0,0,0,0|2,0,0]=4 7267 B8R0.4 CNCCOCCOC 34a_100000745349_200000210301 [1,1,0,0,0,0|2,0,0]=4 7268 B8R0.4 CNCCOCCOC 34a_100102657272_100000695917 [1,1,0,0,0,0|2,0,0]=4 7269 B8R0.4 CNCCOCCOC 7a_106832991635_100000695917 [1,1,0,0,0,0|2,0,0]=4 7270 B8R0.4 CNCCOCCO[13CH3] 34a_100000228057_200025704644 [1,1,0,0,0,0|2,0,0]=4 7271 B8R0.4 COCCCCCCBr 34a_100011215345_200000210301 [1,1,0,0,0,0|1,0,0]=3 7272 B8R0.4 COCCCCCCBr 7a_100011215345_200000210301 [1,1,0,0,0,0|1,0,0]=3 7273 B8R0.4 COCCCCCCCl 34a_100000766143_200000210301 [1,1,0,0,0,0|1,0,0]=3 7274 B8R0.4 COCCCCCCCl 7a_100000766143_200000210301 [1,1,0,0,0,0|1,0,0]=3 7275 B8R0.4 COCCCCCCF 34a_100000732779_200000210301 [1,1,0,0,0,0|1,0,0]=3 7276 B8R0.4 COCCCCCCF 34a_100138415774_100015922095 [1,1,0,0,0,0|1,0,0]=3 7277 B8R0.4 COCCCCCCF 7a_100000732779_200000210301 [1,1,0,0,0,0|1,0,0]=3 7278 B8R0.4 COCCCCCCN 34a_100000686447_200000210301 [1,1,0,0,0,0|1,0,0]=3 7279 B8R0.4 COCCCCCCO 34a_100138415774_100000766143 [1,1,0,0,0,0|1,0,0]=3 7280 B8R0.4 COCCCCCN[13CH3] 2230a_100000747528_200025704644 [1,1,0,0,0,0|1,0,0]=3 7281 B8R0.4 COCCCCCN[13CH3] 34a_100000747528_200025704644 [1,1,0,0,0,0|1,0,0]=3 7282 B8R0.4 COCCCCOCF 34a_100000740925_100015361967 [1,1,0,0,0,0|2,0,0]=4 7283 B8R0.4 COCCCCSCF 62a_100000730899_100015361967 [1,1,0,0,0,0|2,0,0]=4 7284 B8R0.4 COCCCCSCF 62a_100015361967_100000730899 [1,1,0,0,0,0|2,0,0]=4 7285 B8R0.4 COCCCNCC=O 34a_100150723488_200009817547 [1,1,0,0,0,0|1,0,0]=3 7286 B8R0.4 COCCCNCCF 34a_100000724931_100000740836 [1,1,0,0,0,0|2,0,0]=4 7287 B8R0.4 COCCCNCCF 34a_100150723488_100011217306 [1,1,0,0,0,0|2,0,0]=4 7288 B8R0.4 COCCCNCCO 2230a_100016997473_100000740836 [1,1,0,0,0,0|2,0,0]=4 7289 B8R0.4 COCCCNCCO 34a_100016990907_100000740836 [1,1,0,0,0,0|2,0,0]=4 7290 B8R0.4 COCCCNCCO 34a_100150723488_100000211926 [1,1,0,0,0,0|2,0,0]=4 7291 B8R0.4 COCCCNCSC 34a_100150723488_100011218213 [1,1,0,0,0,0|2,0,0]=4 7292 B8R0.4 COCCCOCC=O 34a_100000740835_200009817547 [1,1,0,0,0,0|1,0,0]=3 7293 B8R0.4 COCCCOCCBr 34a_100000211926_100000740836 [1,1,0,0,0,0|2,0,0]=4 7294 B8R0.4 COCCCOCCF 34a_100000740835_100011217306 [1,1,0,0,0,0|2,0,0]=4 7295 B8R0.4 COCCCOCCN 34a_100000210304_100000740836 [1,1,0,0,0,0|2,0,0]=4 7296 B8R0.4 COCCCOCCO 34a_100000740835_100000211926 [1,1,0,0,0,0|2,0,0]=4 7297 B8R0.4 COCCCOCSC 34a_100000740835_100011218213 [1,1,0,0,0,0|2,0,0]=4 7298 B8R0.4 COCCCSCC=O 62a_100000709357_200015260668 [1,1,0,0,0,0|1,0,0]=3 7299 B8R0.4 COCCCSCC=O 62a_200015260668_100000709357 [1,1,0,0,0,0|1,0,0]=3 7300 B8R0.4 COCCCSCCF 62a_100000709357_100011217306 [1,1,0,0,0,0|2,0,0]=4 7301 B8R0.4 COCCCSCCF 62a_100011217306_100000709357 [1,1,0,0,0,0|2,0,0]=4 7302 B8R0.4 COCCCSCCO 62a_100000211926_100000709357 [1,1,0,0,0,0|2,0,0]=4 7303 B8R0.4 COCCCSCCO 62a_100000709357_100000211926 [1,1,0,0,0,0|2,0,0]=4 7304 B8R0.4 COCCCSCOC 62a_100000709357_100000766300 [1,1,0,0,0,0|2,0,0]=4 7305 B8R0.4 COCCCSCOC 62a_100000766300_100000709357 [1,1,0,0,0,0|2,0,0]=4 7306 B8R0.4 COCCCSCSC 62a_100000709357_100011218213 [1,1,0,0,0,0|2,0,0]=4 7307 B8R0.4 COCCCSCSC 62a_100011218213_100000709357 [1,1,0,0,0,0|2,0,0]=4 7308 B8R0.4 COCCNCCCF 2230a_100000209980_100011934791 [1,1,0,0,0,0|2,0,0]=4 7309 B8R0.4 COCCNCCCF 2230a_100015189416_100011201679 [1,1,0,0,0,0|2,0,0]=4 7310 B8R0.4 COCCNCCCF 34a_100015189416_100011201679 [1,1,0,0,0,0|2,0,0]=4 7311 B8R0.4 COCCNCCCO 2230a_100000209980_100000230001 [1,1,0,0,0,0|2,0,0]=4 7312 B8R0.4 COCCNCCOC 2230a_100000209980_100011201679 [1,1,0,0,0,0|2,0,0]=4 7313 B8R0.4 COCCNCCSC 2230a_100000209980_100000751147 [1,1,0,0,0,0|2,0,0]=4 7314 B8R0.4 COCCNCCSC 2230a_100020590264_100011201679 [1,1,0,0,0,0|2,0,0]=4 7315 B8R0.4 COCCOCCCBr 34a_100011217188_100011201679 [1,1,0,0,0,0|2,0,0]=4 7316 B8R0.4 COCCOCCCCl 34a_100000230001_100011201679 [1,1,0,0,0,0|2,0,0]=4 7317 B8R0.4 COCCOCCCF 34a_100000210237_100011934791 [1,1,0,0,0,0|2,0,0]=4 7318 B8R0.4 COCCOCCCF 34a_100000759539_100011201679 [1,1,0,0,0,0|2,0,0]=4 7319 B8R0.4 COCCOCCCN 34a_100000182051_100011201679 [1,1,0,0,0,0|2,0,0]=4 7320 B8R0.4 COCCOCCCO 34a_100000210237_100000230001 [1,1,0,0,0,0|2,0,0]=4 7321 B8R0.4 COCCOCCN[13CH3] 2230a_100000745349_200025704644 [1,1,0,0,0,0|2,0,0]=4 7322 B8R0.4 COCCOCCN[13CH3] 34a_100000745349_200025704644 [1,1,0,0,0,0|2,0,0]=4 7323 B8R0.4 COCCOCCOC 34a_100000210237_100011201679 [1,1,0,0,0,0|2,0,0]=4 7324 B8R0.4 COCCOCCOC 34a_100011215163_200000210301 [1,1,0,0,0,0|2,0,0]=4 7325 B8R0.4 COCCOCCOC 34a_100138415774_100000695917 [1,1,0,0,0,0|2,0,0]=4 7326 B8R0.4 COCCOCCOC 7a_100011215163_200000210301 [1,1,0,0,0,0|2,0,0]=4 7327 B8R0.4 COCCOCCO[13CH3] 34a_100011215163_200025704644 [1,1,0,0,0,0|2,0,0]=4 7328 B8R0.4 COCCOCCO[13CH3] 7a_100011215163_200025704644 [1,1,0,0,0,0|2,0,0]=4 7329 B8R0.4 COCCOCCSC 34a_100000210237_100000212216 [1,1,0,0,0,0|2,0,0]=4 7330 B8R0.4 COCCOCCSC 34a_100000230434_100011201679 [1,1,0,0,0,0|2,0,0]=4 7331 B8R0.4 COCCOCCSC 62a_100000695917_200000210301 [1,1,0,0,0,0|2,0,0]=4 7332 B8R0.4 COCCOCCSC 62a_200000210301_100000695917 [1,1,0,0,0,0|2,0,0]=4 7333 B8R0.4 COCCOCCSC 7a_100000230434_100000233755 [1,1,0,0,0,0|2,0,0]=4 7334 B8R0.4 COCCOCCS[13CH3] 62a_100000695917_200025704644 [1,1,0,0,0,0|2,0,0]=4 7335 B8R0.4 COCCOCCS[13CH3] 62a_200025704644_100000695917 [1,1,0,0,0,0|2,0,0]=4 7336 B8R0.4 COCCSCCCF 62a_100000233755_100011934791 [1,1,0,0,0,0|2,0,0]=4 7337 B8R0.4 COCCSCCCF 62a_100011934791_100000233755 [1,1,0,0,0,0|2,0,0]=4 7338 B8R0.4 COCCSCCCO 62a_100000233755_100011215043 [1,1,0,0,0,0|2,0,0]=4 7339 B8R0.4 COCCSCCCO 62a_100011215043_100000233755 [1,1,0,0,0,0|2,0,0]=4 7340 B8R0.4 COCCSCCOC 62a_100000233755_100000233755 [1,1,0,0,0,0|2,0,0]=4 7341 B8R0.4 COCCSCCSC 62a_100000212216_100000233755 [1,1,0,0,0,0|2,0,0]=4 7342 B8R0.4 COCCSCCSC 62a_100000233755_100000751147 [1,1,0,0,0,0|2,0,0]=4 7343 B8R0.4 COCNCCCCO 2230a_100000750430_100000766300 [1,1,0,0,0,0|2,0,0]=4 7344 B8R0.4 COCNCCCSC 2230a_100000749238_100000766300 [1,1,0,0,0,0|2,0,0]=4 7345 B8R0.4 COCSCCCC=O 62a_100000766300_200011292268 [1,1,0,0,0,0|1,0,0]=3 7346 B8R0.4 COCSCCCC=O 62a_200011292268_100000766300 [1,1,0,0,0,0|1,0,0]=3 7347 B8R0.4 COCSCCCCF 62a_100000729493_100000766300 [1,1,0,0,0,0|2,0,0]=4 7348 B8R0.4 COCSCCCCF 62a_100000766300_100000729493 [1,1,0,0,0,0|2,0,0]=4 7349 B8R0.4 COCSCCCCO 62a_100000210776_100000766300 [1,1,0,0,0,0|2,0,0]=4 7350 B8R0.4 COCSCCCCO 62a_100000766300_100000210776 [1,1,0,0,0,0|2,0,0]=4 7351 B8R0.4 CSCCCCCC#N 62a_100009813376_200000210301 [1,1,0,0,0,0|1,0,1]=4 7352 B8R0.4 CSCCCCCC#N 62a_200000210301_100009813376 [1,1,0,0,0,0|1,0,1]=4 7353 B8R0.4 CSCCCCCC=O 62a_100000139337_200000210301 [1,1,0,0,0,0|0,0,0]=2 7354 B8R0.4 CSCCCCCC=O 62a_200000210301_100000139337 [1,1,0,0,0,0|0,0,0]=2 7355 B8R0.4 CSCCCCCCF 62a_100015922095_200000210301 [1,1,0,0,0,0|1,0,0]=3 7356 B8R0.4 CSCCCCCCF 62a_200000210301_100015922095 [1,1,0,0,0,0|1,0,0]=3 7357 B8R0.4 CSCCCCCCO 62a_100000766143_200000210301 [1,1,0,0,0,0|1,0,0]=3 7358 B8R0.4 CSCCCCCCO 62a_200000210301_100000766143 [1,1,0,0,0,0|1,0,0]=3 7359 B8R0.4 CSCCCCOCF 34a_100011217163_100015361967 [1,1,0,0,0,0|2,0,0]=4 7360 B8R0.4 CSCCCCOCF 7a_100011217163_100015361967 [1,1,0,0,0,0|2,0,0]=4 7361 B8R0.4 CSCCCNCC=O 2230a_100000749238_200015260668 [1,1,0,0,0,0|1,0,0]=3 7362 B8R0.4 CSCCCNCCF 2230a_100000749238_100011217306 [1,1,0,0,0,0|2,0,0]=4 7363 B8R0.4 CSCCCNCCO 2230a_100000749238_100000211926 [1,1,0,0,0,0|2,0,0]=4 7364 B8R0.4 CSCCCNCSC 2230a_100000749238_100011218213 [1,1,0,0,0,0|2,0,0]=4 7365 B8R0.4 CSCCCOCC=O 34a_100000690336_200009817547 [1,1,0,0,0,0|1,0,0]=3 7366 B8R0.4 CSCCCOCC=O 7a_100000690336_200015260668 [1,1,0,0,0,0|1,0,0]=3 7367 B8R0.4 CSCCCOCCF 34a_100000690336_100011217306 [1,1,0,0,0,0|2,0,0]=4 7368 B8R0.4 CSCCCOCCF 7a_100000690336_100011217306 [1,1,0,0,0,0|2,0,0]=4 7369 B8R0.4 CSCCCOCCO 34a_100000690336_100000211926 [1,1,0,0,0,0|2,0,0]=4 7370 B8R0.4 CSCCCOCCO 7a_100000690336_100000211926 [1,1,0,0,0,0|2,0,0]=4 7371 B8R0.4 CSCCCOCSC 34a_100000690336_100011218213 [1,1,0,0,0,0|2,0,0]=4 7372 B8R0.4 CSCCNCCCF 2230a_100015189416_100000751147 [1,1,0,0,0,0|2,0,0]=4 7373 B8R0.4 CSCCNCCCF 2230a_100020590264_100011934791 [1,1,0,0,0,0|2,0,0]=4 7374 B8R0.4 CSCCNCCCF 34a_100015189416_100000212216 [1,1,0,0,0,0|2,0,0]=4 7375 B8R0.4 CSCCNCCCO 2230a_100020590264_100000230001 [1,1,0,0,0,0|2,0,0]=4 7376 B8R0.4 CSCCNCCSC 2230a_100020590264_100000751147 [1,1,0,0,0,0|2,0,0]=4 7377 B8R0.4 CSCCOCCCBr 34a_100011217188_100000212216 [1,1,0,0,0,0|2,0,0]=4 7378 B8R0.4 CSCCOCCCCl 34a_100000230001_100000212216 [1,1,0,0,0,0|2,0,0]=4 7379 B8R0.4 CSCCOCCCF 34a_100000230434_100011934791 [1,1,0,0,0,0|2,0,0]=4 7380 B8R0.4 CSCCOCCCF 34a_100000759539_100000212216 [1,1,0,0,0,0|2,0,0]=4 7381 B8R0.4 CSCCOCCCF 7a_100000230434_100011934791 [1,1,0,0,0,0|2,0,0]=4 7382 B8R0.4 CSCCOCCCN 34a_100000182051_100000212216 [1,1,0,0,0,0|2,0,0]=4 7383 B8R0.4 CSCCOCCCO 34a_100000230434_100000230001 [1,1,0,0,0,0|2,0,0]=4 7384 B8R0.4 CSCCOCCCO 7a_100000230434_100011215043 [1,1,0,0,0,0|2,0,0]=4 7385 B8R0.4 CSCCOCCSC 34a_100000230434_100000212216 [1,1,0,0,0,0|2,0,0]=4 7386 B8R0.4 CSCCOCCSC 7a_100000230434_100000212216 [1,1,0,0,0,0|2,0,0]=4 7387 B8R0.4 CSCCSCCCF 62a_100000212216_100011934791 [1,1,0,0,0,0|2,0,0]=4 7388 B8R0.4 CSCCSCCCF 62a_100011934791_100000751147 [1,1,0,0,0,0|2,0,0]=4 7389 B8R0.4 CSCCSCCCO 62a_100000212216_100011215043 [1,1,0,0,0,0|2,0,0]=4 7390 B8R0.4 CSCCSCCCO 62a_100011215043_100000751147 [1,1,0,0,0,0|2,0,0]=4 7391 B8R0.4 CSCCSCCSC 62a_100000212216_100000751147 [1,1,0,0,0,0|2,0,0]=4 7392 B8R0.4 CSCNCCCCO 2230a_100000750430_100011218213 [1,1,0,0,0,0|2,0,0]=4 7393 B8R0.4 CSCNCCCCO 34a_100000750430_100011218213 [1,1,0,0,0,0|2,0,0]=4 7394 B8R0.4 CSCOCCCCBr 34a_100011216708_100011218213 [1,1,0,0,0,0|2,0,0]=4 7395 B8R0.4 CSCOCCCCCl 34a_100000210776_100011218213 [1,1,0,0,0,0|2,0,0]=4 7396 B8R0.4 CSCOCCCCF 34a_100011995726_100011218213 [1,1,0,0,0,0|2,0,0]=4 7397 B8R0.4 CSCOCCCCI 34a_200012148704_100011218213 [1,1,0,0,0,0|2,0,0]=4 7398 B8R0.4 CSCOCCCCN 34a_100000750430_100011218213 [1,1,0,0,0,0|2,0,0]=4 7399 B8R0.4 CSCSCCCC=O 62a_100011218213_200011292268 [1,1,0,0,0,0|1,0,0]=3 7400 B8R0.4 CSCSCCCC=O 62a_200011292268_100011218213 [1,1,0,0,0,0|1,0,0]=3 7401 B8R0.4 CSCSCCCCF 62a_100000729493_100011218213 [1,1,0,0,0,0|2,0,0]=4 7402 B8R0.4 CSCSCCCCF 62a_100011218213_100000729493 [1,1,0,0,0,0|2,0,0]=4 7403 B8R0.4 CSCSCCCCO 62a_100000210776_100011218213 [1,1,0,0,0,0|2,0,0]=4 7404 B8R0.4 CSCSCCCCO 62a_100011218213_100000210776 [1,1,0,0,0,0|2,0,0]=4 7405 B8R0.4 FCCCCCSCF 62a_100000729378_100015361967 [1,1,0,0,0,0|2,0,0]=4 7406 B8R0.4 FCCCCCSCF 62a_100015361967_100000729378 [1,1,0,0,0,0|2,0,0]=4 7407 B8R0.4 FCOCCCCCBr 34a_100000746331_100015361967 [1,1,0,0,0,0|2,0,0]=4 7408 B8R0.4 FCOCCCCCBr 7a_100000746331_100015361967 [1,1,0,0,0,0|2,0,0]=4 7409 B8R0.4 FCOCCCCCCl 34a_100000746330_100015361967 [1,1,0,0,0,0|2,0,0]=4 7410 B8R0.4 FCOCCCCCCl 7a_100000746330_100015361967 [1,1,0,0,0,0|2,0,0]=4 7411 B8R0.4 FCOCCCCCI 34a_200012148887_100015361967 [1,1,0,0,0,0|2,0,0]=4 7412 B8R0.4 FCOCCCCCI 7a_200012148887_100015361967 [1,1,0,0,0,0|2,0,0]=4 7413 B8R0.4 N#CCCCSCC=O 62a_100000687738_200015260668 [1,1,0,0,0,0|1,0,1]=4 7414 B8R0.4 N#CCCCSCC=O 62a_200015260668_100000687738 [1,1,0,0,0,0|1,0,1]=4 7415 B8R0.4 N#CCSCCCC=O 62a_100011215382_200011292268 [1,1,0,0,0,0|1,0,1]=4 7416 B8R0.4 N#CCSCCCC=O 62a_200011292268_100011215382 [1,1,0,0,0,0|1,0,1]=4 7417 B8R0.4 NCCCCCOCF 34a_100000762737_100015361967 [1,1,0,0,0,0|2,0,0]=4 7418 B8R0.4 NCCCCOCC=O 34a_100000750430_200009817547 [1,1,0,0,0,0|1,0,0]=3 7419 B8R0.4 O=CCCCCSCF 62a_100000139335_100015361967 [1,1,0,0,0,0|1,0,0]=3 7420 B8R0.4 O=CCCCCSCF 62a_100015361967_100000139335 [1,1,0,0,0,0|1,0,0]=3 7421 B8R0.4 O=CCCCNCCO 2230a_100016997473_200011292268 [1,1,0,0,0,0|1,0,0]=3 7422 B8R0.4 O=CCCCSCC=O 62a_200011292268_200015260668 [1,1,0,0,0,0|1,0,1]=4 7423 B8R0.4 O=CCCCSCC=O 62a_200015260668_200011292268 [1,1,0,0,0,0|1,0,1]=4 7424 B8R0.4 O=CCCCSCCF 62a_100011217306_200011292268 [1,1,0,0,0,0|1,0,0]=3 7425 B8R0.4 O=CCCCSCCF 62a_200011292268_100011217306 [1,1,0,0,0,0|1,0,0]=3 7426 B8R0.4 O=CCCCSCCO 62a_100000211926_200011292268 [1,1,0,0,0,0|1,0,0]=3 7427 B8R0.4 O=CCCCSCCO 62a_200011292268_100000211926 [1,1,0,0,0,0|1,0,0]=3 7428 B8R0.4 O=CCNCCCCO 2230a_100000750430_200015260668 [1,1,0,0,0,0|1,0,0]=3 7429 B8R0.4 O=CCNCCCCO 34a_100000750430_200009817547 [1,1,0,0,0,0|1,0,0]=3 7430 B8R0.4 O=CCOCCCCBr 34a_100011216708_200009817547 [1,1,0,0,0,0|1,0,0]=3 7431 B8R0.4 O=CCOCCCCCl 34a_100000210776_200009817547 [1,1,0,0,0,0|1,0,0]=3 7432 B8R0.4 O=CCOCCCCCl 7a_100000210776_200015260668 [1,1,0,0,0,0|1,0,0]=3 7433 B8R0.4 O=CCOCCCCF 34a_100011995726_200009817547 [1,1,0,0,0,0|1,0,0]=3 7434 B8R0.4 O=CCOCCCCF 7a_100011995726_200015260668 [1,1,0,0,0,0|1,0,0]=3 7435 B8R0.4 O=CCOCCCCI 34a_200012148704_200009817547 [1,1,0,0,0,0|1,0,0]=3 7436 B8R0.4 O=CCSCCCCF 62a_100000729493_200015260668 [1,1,0,0,0,0|1,0,0]=3 7437 B8R0.4 O=CCSCCCCF 62a_200015260668_100000729493 [1,1,0,0,0,0|1,0,0]=3 7438 B8R0.4 O=CCSCCCCO 62a_100000210776_200015260668 [1,1,0,0,0,0|1,0,0]=3 7439 B8R0.4 O=CCSCCCCO 62a_200015260668_100000210776 [1,1,0,0,0,0|1,0,0]=3 7440 B8R0.4 OCCCCCNCF 34a_100000762737_100015361967 [1,1,0,0,0,0|2,0,0]=4 7441 B8R0.4 OCCCCCSCF 62a_100000746330_100015361967 [1,1,0,0,0,0|2,0,0]=4 7442 B8R0.4 OCCCCCSCF 62a_100015361967_100000746330 [1,1,0,0,0,0|2,0,0]=4 7443 B8R0.4 [13CH3]NCCCCCCO 2230a_100000686447_200025704644 [1,1,0,0,0,0|1,0,0]=3 7444 B8R0.4 [13CH3]NCCCCCCO 34a_100000686447_200025704644 [1,1,0,0,0,0|1,0,0]=3 7445 B8R0.4 [13CH3]OCCCCCCBr 34a_100011215345_200025704644 [1,1,0,0,0,0|1,0,0]=3 7446 B8R0.4 [13CH3]OCCCCCCBr 7a_100011215345_200025704644 [1,1,0,0,0,0|1,0,0]=3 7447 B8R0.4 [13CH3]OCCCCCCCl 34a_100000766143_200025704644 [1,1,0,0,0,0|1,0,0]=3 7448 B8R0.4 [13CH3]OCCCCCCCl 7a_100000766143_200025704644 [1,1,0,0,0,0|1,0,0]=3 7449 B8R0.4 [13CH3]OCCCCCCF 34a_100000732779_200025704644 [1,1,0,0,0,0|1,0,0]=3 7450 B8R0.4 [13CH3]OCCCCCCF 7a_100000732779_200025704644 [1,1,0,0,0,0|1,0,0]=3 7451 B8R0.4 [13CH3]OCCCCCCN 34a_100000686447_200025704644 [1,1,0,0,0,0|1,0,0]=3 7452 B8R0.4 [13CH3]SCCCCCC#N 62a_100009813376_200025704644 [1,1,0,0,0,0|1,0,1]=4 7453 B8R0.4 [13CH3]SCCCCCC#N 62a_200025704644_100009813376 [1,1,0,0,0,0|1,0,1]=4 7454 B8R0.4 [13CH3]SCCCCCC=O 62a_100000139337_200025704644 [1,1,0,0,0,0|0,0,0]=2 7455 B8R0.4 [13CH3]SCCCCCC=O 62a_200025704644_100000139337 [1,1,0,0,0,0|0,0,0]=2 7456 B8R0.4 [13CH3]SCCCCCCF 62a_100015922095_200025704644 [1,1,0,0,0,0|1,0,0]=3 7457 B8R0.4 [13CH3]SCCCCCCF 62a_200025704644_100015922095 [1,1,0,0,0,0|1,0,0]=3 7458 B8R0.4 [13CH3]SCCCCCCO 62a_100000766143_200025704644 [1,1,0,0,0,0|1,0,0]=3 7459 B8R0.4 [13CH3]SCCCCCCO 62a_200025704644_100000766143 [1,1,0,0,0,0|1,0,0]=3 7460 B8R0.6 C/C=C/COC(C)CC 34a_100016270725_100011215416 [1,1,0,0,0,0|1,0,1]=4 7461 B8R0.6 C/C=C/COC(C)CC 7a_100000210228_100102629194 [1,1,0,0,0,0|1,0,1]=4 7462 B8R0.6 C/C=C/CSC(C)CC 62a_100000758301_100102629194 [1,1,0,0,0,0|1,0,1]=4 7463 B8R0.6 C/C=C/CSC(C)CC 62a_100102629194_100000758301 [1,1,0,0,0,0|1,0,1]=4 7464 B8R0.6 C=CC(=O)CCCCC 1458a_100000185746_100000210326 [1,1,0,0,0,0|0,0,2]=4 7465 B8R0.6 C=CC(C)COCCC 34a_100011215527_100000210303 [1,1,0,0,0,0|1,0,1]=4 7466 B8R0.6 C=CC(C)COCCC 7a_100011215527_100000210303 [1,1,0,0,0,0|1,0,1]=4 7467 B8R0.6 C=CC(C)OCCCC 34a_100000695699_100000210210 [1,1,0,0,0,0|1,0,1]=4 7468 B8R0.6 C=CC(C)SCCCC 62a_100011215867_100000210210 [1,1,0,0,0,0|1,0,1]=4 7469 B8R0.6 C=CC(O)COCCC 34a_100000210258_100000730141 [1,1,0,0,0,0|1,0,1]=4 7470 B8R0.6 C=CC(O)CSCCC 62a_100000210303_100000730141 [1,1,0,0,0,0|1,0,1]=4 7471 B8R0.6 C=CC(O)CSCCC 62a_100000730141_100000210303 [1,1,0,0,0,0|1,0,1]=4 7472 B8R0.6 C=CCCCC(=O)CC 1458a_100000210414_100000757094 [1,1,0,0,0,0|0,0,2]=4 7473 B8R0.6 C=CCCCC(=O)CC 1458a_100000766728_100000210202 [1,1,0,0,0,0|0,0,2]=4 7474 B8R0.6 C=CCCCN(C)CC 2230a_100000225621_100011713584 [1,1,0,0,0,0|1,0,1]=4 7475 B8R0.6 C=CCCCN(C)CC 269982a_100000225621_100000757094 [1,1,0,0,0,0|1,0,1]=4 7476 B8R0.6 C=CCCNC(C)CC 2230a_100000209981_100000754431 [1,1,0,0,0,0|1,0,1]=4 7477 B8R0.6 C=CCCNC(C)CC 2230a_100015191253_100000758301 [1,1,0,0,0,0|1,0,1]=4 7478 B8R0.6 C=CCCOC(C)CC 34a_100011205117_100011215416 [1,1,0,0,0,0|1,0,1]=4 7479 B8R0.6 C=CCCOC(C)CC 7a_100000210228_100000754431 [1,1,0,0,0,0|1,0,1]=4 7480 B8R0.6 C=CCCSC(C)CC 62a_100000754431_100000758301 [1,1,0,0,0,0|1,0,1]=4 7481 B8R0.6 C=CCCSC(C)CC 62a_100000758301_100000754431 [1,1,0,0,0,0|1,0,1]=4 7482 B8R0.6 C=CCNCC(C)CC 2230a_100020586998_100000748023 [1,1,0,0,0,0|1,0,1]=4 7483 B8R0.6 C=CCNCC(C)CC 2230a_100020588543_100000210623 [1,1,0,0,0,0|1,0,1]=4 7484 B8R0.6 C=CCNCC(C)CC 270004a_100020586998_100000243153 [1,1,0,0,0,0|1,0,1]=4 7485 B8R0.6 C=CCNCC(O)CC 2230a_100011218483_100000210623 [1,1,0,0,0,0|1,0,1]=4 7486 B8R0.6 C=CCNCC(O)CC 2230a_100020586998_100011218378 [1,1,0,0,0,0|1,0,1]=4 7487 B8R0.6 C=CCNC[C@@H](C)CC 2230a_100020586998_100009816398 [1,1,0,0,0,0|1,0,1]=4 7488 B8R0.6 C=CCOCC(C)CC 34a_200000210373_100000748023 [1,1,0,0,0,0|1,0,1]=4 7489 B8R0.6 C=CCOCC(O)CC 34a_200000210373_100011218378 [1,1,0,0,0,0|1,0,1]=4 7490 B8R0.6 C=CCOC[C@@H](C)CC 34a_200000210373_100009816398 [1,1,0,0,0,0|1,0,1]=4 7491 B8R0.6 C=CCOC[C@@H](C)CC 7a_100009816381_100015514636 [1,1,0,0,0,0|1,0,1]=4 7492 B8R0.6 C=CCSCC(C)CC 62a_100000210623_100000748023 [1,1,0,0,0,0|1,0,1]=4 7493 B8R0.6 C=CCSCC(C)CC 62a_100000748023_100000210623 [1,1,0,0,0,0|1,0,1]=4 7494 B8R0.6 C=CCSCC(O)CC 62a_100000210623_100011218378 [1,1,0,0,0,0|1,0,1]=4 7495 B8R0.6 C=CCSCC(O)CC 62a_100011218378_100000210623 [1,1,0,0,0,0|1,0,1]=4 7496 B8R0.6 C=CCSC[C@@H](C)CC 62a_100000210623_100009816398 [1,1,0,0,0,0|1,0,1]=4 7497 B8R0.6 C=CCSC[C@@H](C)CC 62a_100009816398_100000210623 [1,1,0,0,0,0|1,0,1]=4 7498 B8R0.6 C=C[C@H](N)COCCC 34a_100016989147_100000210303 [1,1,0,0,0,0|1,0,1]=4 7499 B8R0.6 CC(CN)COCC=O 34a_100000744482_200009817547 [1,1,0,0,0,0|2,0,0]=4 7500 B8R0.6 CC(CO)CNCC=O 34a_100000744482_200009817547 [1,1,0,0,0,0|2,0,0]=4 7501 B8R0.6 CC=CCNC(C)CC 2230a_100000209981_100000070051 [1,1,0,0,0,0|1,0,1]=4 7502 B8R0.6 CC=CCOC(C)CC 7a_100000210228_100000070051 [1,1,0,0,0,0|1,0,1]=4 7503 B8R0.6 CC=CCSC(C)CC 62a_100000070051_100000758301 [1,1,0,0,0,0|1,0,1]=4 7504 B8R0.6 CC=CCSC(C)CC 62a_100000758301_100000070051 [1,1,0,0,0,0|1,0,1]=4 7505 B8R0.6 CC=NNCC(O)CC 4a_100015206393_200000210099 [1,1,0,0,0,0|2,0,0]=4 7506 B8R0.6 CCC(=O)CCCOC 1458a_100000210414_100000740836 [1,1,0,0,0,0|1,0,1]=4 7507 B8R0.6 CCC(=O)CCCOC 1458a_100000741012_100000210202 [1,1,0,0,0,0|1,0,1]=4 7508 B8R0.6 CCC(=O)CCCSC 1458a_100000173376_100000210202 [1,1,0,0,0,0|1,0,1]=4 7509 B8R0.6 CCC(=O)COCC=O 34a_100000725409_200009817547 [1,1,0,0,0,0|1,0,1]=4 7510 B8R0.6 CCC(=O)CSCC=O 62a_100000747405_200015260668 [1,1,0,0,0,0|1,0,1]=4 7511 B8R0.6 CCC(=O)CSCC=O 62a_200015260668_100000747405 [1,1,0,0,0,0|1,0,1]=4 7512 B8R0.6 CCC(C)CCCOC 7a_100011216074_200000210301 [1,1,0,0,0,0|1,0,0]=3 7513 B8R0.6 CCC(C)CCCO[13CH3] 7a_100011216074_200025704644 [1,1,0,0,0,0|1,0,0]=3 7514 B8R0.6 CCC(C)CNCC=O 2230a_100020588543_200015260668 [1,1,0,0,0,0|1,0,0]=3 7515 B8R0.6 CCC(C)CNCOC 2230a_100020588543_100000766300 [1,1,0,0,0,0|2,0,0]=4 7516 B8R0.6 CCC(C)CNCSC 2230a_100020588543_100011218213 [1,1,0,0,0,0|2,0,0]=4 7517 B8R0.6 CCC(C)CSCC=O 62a_100000748023_200015260668 [1,1,0,0,0,0|1,0,0]=3 7518 B8R0.6 CCC(C)CSCC=O 62a_200015260668_100000748023 [1,1,0,0,0,0|1,0,0]=3 7519 B8R0.6 CCC(C)CSCOC 62a_100000748023_100000766300 [1,1,0,0,0,0|2,0,0]=4 7520 B8R0.6 CCC(C)CSCOC 62a_100000766300_100000748023 [1,1,0,0,0,0|2,0,0]=4 7521 B8R0.6 CCC(C)CSCSC 62a_100000748023_100011218213 [1,1,0,0,0,0|2,0,0]=4 7522 B8R0.6 CCC(C)CSCSC 62a_100011218213_100000748023 [1,1,0,0,0,0|2,0,0]=4 7523 B8R0.6 CCC(C)NCCOC 2230a_100000209980_100000758301 [1,1,0,0,0,0|2,0,0]=4 7524 B8R0.6 CCC(C)NCCOC 2230a_100000209981_100011201679 [1,1,0,0,0,0|2,0,0]=4 7525 B8R0.6 CCC(C)NCCSC 2230a_100000209981_100000751147 [1,1,0,0,0,0|2,0,0]=4 7526 B8R0.6 CCC(C)NCCSC 2230a_100020590264_100000758301 [1,1,0,0,0,0|2,0,0]=4 7527 B8R0.6 CCC(C)OCCOC 34a_100000210237_100011215416 [1,1,0,0,0,0|2,0,0]=4 7528 B8R0.6 CCC(C)OCCOC 7a_100000210228_100000233755 [1,1,0,0,0,0|2,0,0]=4 7529 B8R0.6 CCC(C)OCCSC 34a_100000230434_100011215416 [1,1,0,0,0,0|2,0,0]=4 7530 B8R0.6 CCC(C)OCCSC 7a_100000210228_100000212216 [1,1,0,0,0,0|2,0,0]=4 7531 B8R0.6 CCC(C)OCCSC 7a_100000230434_100000758301 [1,1,0,0,0,0|2,0,0]=4 7532 B8R0.6 CCC(C)SCCOC 62a_100000233755_100000758301 [1,1,0,0,0,0|2,0,0]=4 7533 B8R0.6 CCC(C)SCCOC 62a_100000758301_100000233755 [1,1,0,0,0,0|2,0,0]=4 7534 B8R0.6 CCC(C)SCCSC 62a_100000212216_100000758301 [1,1,0,0,0,0|2,0,0]=4 7535 B8R0.6 CCC(C)SCCSC 62a_100000758301_100000751147 [1,1,0,0,0,0|2,0,0]=4 7536 B8R0.6 CCC(O)CNCC=O 2230a_100011218483_200015260668 [1,1,0,0,0,0|1,0,0]=3 7537 B8R0.6 CCC(O)CNCOC 2230a_100011218483_100000766300 [1,1,0,0,0,0|2,0,0]=4 7538 B8R0.6 CCC(O)CNCSC 2230a_100011218483_100011218213 [1,1,0,0,0,0|2,0,0]=4 7539 B8R0.6 CCC(O)CSCC=O 62a_100011218378_200015260668 [1,1,0,0,0,0|1,0,0]=3 7540 B8R0.6 CCC(O)CSCC=O 62a_200015260668_100011218378 [1,1,0,0,0,0|1,0,0]=3 7541 B8R0.6 CCC(O)CSCOC 62a_100000766300_100011218378 [1,1,0,0,0,0|2,0,0]=4 7542 B8R0.6 CCC(O)CSCOC 62a_100011218378_100000766300 [1,1,0,0,0,0|2,0,0]=4 7543 B8R0.6 CCC(O)CSCSC 62a_100011218213_100011218378 [1,1,0,0,0,0|2,0,0]=4 7544 B8R0.6 CCC(O)CSCSC 62a_100011218378_100011218213 [1,1,0,0,0,0|2,0,0]=4 7545 B8R0.6 CCCCCC(=O)CC 1458a_100000210414_100000210326 [1,1,0,0,0,0|0,0,2]=4 7546 B8R0.6 CCCCCC(=O)CC 1458a_100000212188_100000210202 [1,1,0,0,0,0|0,0,2]=4 7547 B8R0.6 CCCCCC(=O)NC 11a_106832991635_100000212188 [1,1,0,0,0,0|1,0,1]=4 7548 B8R0.6 CCCCCC(=O)NC 1626a_100102657272_100000212188 [1,1,0,0,0,0|1,0,1]=4 7549 B8R0.6 CCCCCC(=O)NC 240690a_100102657272_100000212188 [1,1,0,0,0,0|1,0,1]=4 7550 B8R0.6 CCCCCC(=O)NC 527a_100102657272_100000212188 [1,1,0,0,0,0|1,0,1]=4 7551 B8R0.6 CCCCCC(C)NC 2230a_100000211957_200000210301 [1,1,0,0,0,0|1,0,0]=3 7552 B8R0.6 CCCCCC(C)NC 2230a_106832991635_200011218191 [1,1,0,0,0,0|1,0,0]=3 7553 B8R0.6 CCCCCC(C)NC 270004a_106832991635_100000211708 [1,1,0,0,0,0|1,0,0]=3 7554 B8R0.6 CCCCCC(C)NC 34a_100102657272_200011218191 [1,1,0,0,0,0|1,0,0]=3 7555 B8R0.6 CCCCCC(C)NC 7a_106832991635_200011218191 [1,1,0,0,0,0|1,0,0]=3 7556 B8R0.6 CCCCCC(C)N[13CH3] 2230a_100000211957_200025704644 [1,1,0,0,0,0|1,0,0]=3 7557 B8R0.6 CCCCCC(C)OC 34a_100011215632_200000210301 [1,1,0,0,0,0|1,0,0]=3 7558 B8R0.6 CCCCCC(C)OC 34a_100138415774_200011218191 [1,1,0,0,0,0|1,0,0]=3 7559 B8R0.6 CCCCCC(C)OC 7a_100011215632_200000210301 [1,1,0,0,0,0|1,0,0]=3 7560 B8R0.6 CCCCCC(C)O[13CH3] 34a_100011215632_200025704644 [1,1,0,0,0,0|1,0,0]=3 7561 B8R0.6 CCCCCC(C)O[13CH3] 7a_100011215632_200025704644 [1,1,0,0,0,0|1,0,0]=3 7562 B8R0.6 CCCCCC(C)SC 62a_200000210301_200011218191 [1,1,0,0,0,0|1,0,0]=3 7563 B8R0.6 CCCCCC(C)SC 62a_200011218191_200000210301 [1,1,0,0,0,0|1,0,0]=3 7564 B8R0.6 CCCCCC(C)S[13CH3] 62a_200011218191_200025704644 [1,1,0,0,0,0|1,0,0]=3 7565 B8R0.6 CCCCCC(C)S[13CH3] 62a_200025704644_200011218191 [1,1,0,0,0,0|1,0,0]=3 7566 B8R0.6 CCCCCN(C)CC 2230a_100000223495_100000210202 [1,1,0,0,0,0|1,0,1]=4 7567 B8R0.6 CCCCCN(C)CC 2230a_100000225621_100000210326 [1,1,0,0,0,0|1,0,1]=4 7568 B8R0.6 CCCCCN(C)CC 269982a_100000223495_100000204670 [1,1,0,0,0,0|1,0,1]=4 7569 B8R0.6 CCCCCN(C)CC 269982a_100000225621_100000210215 [1,1,0,0,0,0|1,0,1]=4 7570 B8R0.6 CCCCNC(C)CC 2230a_100000102301_100000758301 [1,1,0,0,0,0|1,0,1]=4 7571 B8R0.6 CCCCNC(C)CC 2230a_100000209981_100000210211 [1,1,0,0,0,0|1,0,1]=4 7572 B8R0.6 CCCCNC(C)CC 7a_106832991798_100000758301 [1,1,0,0,0,0|1,0,1]=4 7573 B8R0.6 CCCCOC(C)CC 34a_100000210227_100011215416 [1,1,0,0,0,0|1,0,1]=4 7574 B8R0.6 CCCCOC(C)CC 7a_100000210227_100000758301 [1,1,0,0,0,0|1,0,1]=4 7575 B8R0.6 CCCCOC(C)CC 7a_100000210228_100000210211 [1,1,0,0,0,0|1,0,1]=4 7576 B8R0.6 CCCCSC(C)CC 62a_100000210211_100000758301 [1,1,0,0,0,0|1,0,1]=4 7577 B8R0.6 CCCCSC(C)CC 62a_100000758301_100000210210 [1,1,0,0,0,0|1,0,1]=4 7578 B8R0.6 CCCCSC(C)OC 62a_100000210211_100009879195 [1,1,0,0,0,0|2,0,0]=4 7579 B8R0.6 CCCCSC(C)OC 62a_100009879195_100000210210 [1,1,0,0,0,0|2,0,0]=4 7580 B8R0.6 CCCNCC(C)CC 2230a_100020588543_100000210303 [1,1,0,0,0,0|1,0,1]=4 7581 B8R0.6 CCCNCC(C)CC 270004a_100020643023_100000243153 [1,1,0,0,0,0|1,0,1]=4 7582 B8R0.6 CCCNCC(O)CC 2230a_100011218483_100000210303 [1,1,0,0,0,0|1,0,1]=4 7583 B8R0.6 CCCNC[C@@H](C)OC 2230a_100020591295_100000210303 [1,1,0,0,0,0|2,0,0]=4 7584 B8R0.6 CCCOCC(C)CC 34a_100000210258_100000748023 [1,1,0,0,0,0|1,0,1]=4 7585 B8R0.6 CCCOCC(C)OC 34a_100000690652_100000210303 [1,1,0,0,0,0|2,0,0]=4 7586 B8R0.6 CCCOCC(O)CC 34a_100000210258_100011218378 [1,1,0,0,0,0|1,0,1]=4 7587 B8R0.6 CCCOC[C@@H](C)CC 34a_100000210258_100009816398 [1,1,0,0,0,0|1,0,1]=4 7588 B8R0.6 CCCOC[C@@H](C)CC 7a_100009816381_100000210303 [1,1,0,0,0,0|1,0,1]=4 7589 B8R0.6 CCCSCC(C)CC 62a_100000210303_100000748023 [1,1,0,0,0,0|1,0,1]=4 7590 B8R0.6 CCCSCC(C)CC 62a_100000748023_100000210303 [1,1,0,0,0,0|1,0,1]=4 7591 B8R0.6 CCCSCC(C)NC 270004a_106832991635_100011343953 [1,1,0,0,0,0|2,0,0]=4 7592 B8R0.6 CCCSCC(O)CC 62a_100000210303_100011218378 [1,1,0,0,0,0|1,0,1]=4 7593 B8R0.6 CCCSCC(O)CC 62a_100011218378_100000210303 [1,1,0,0,0,0|1,0,1]=4 7594 B8R0.6 CCCSC[C@@H](C)CC 62a_100000210303_100009816398 [1,1,0,0,0,0|1,0,1]=4 7595 B8R0.6 CCCSC[C@@H](C)CC 62a_100009816398_100000210303 [1,1,0,0,0,0|1,0,1]=4 7596 B8R0.6 CCN(C)CCCC=O 2230a_100000225621_200011292268 [1,1,0,0,0,0|1,0,0]=3 7597 B8R0.6 CCN(C)CCCC=O 269982a_100000225621_200011292268 [1,1,0,0,0,0|1,0,0]=3 7598 B8R0.6 CCN(C)CCCNC 2230a_106832991635_100015186262 [1,1,0,0,0,0|2,0,0]=4 7599 B8R0.6 CCN(C)CCCNC 7a_106832991635_100015186262 [1,1,0,0,0,0|2,0,0]=4 7600 B8R0.6 CCN(C)CCCOC 2230a_100000224831_100000210202 [1,1,0,0,0,0|2,0,0]=4 7601 B8R0.6 CCN(C)CCCOC 2230a_100000225621_100000740836 [1,1,0,0,0,0|2,0,0]=4 7602 B8R0.6 CCN(C)CCCOC 269982a_100000224831_100000204670 [1,1,0,0,0,0|2,0,0]=4 7603 B8R0.6 CCN(C)CCCOC 269982a_100000225621_100000740836 [1,1,0,0,0,0|2,0,0]=4 7604 B8R0.6 CCN(C)CCCSC 62a_200000210301_100015186262 [1,1,0,0,0,0|2,0,0]=4 7605 B8R0.6 CCN(C)CCCS[13CH3] 62a_200025704644_100015186262 [1,1,0,0,0,0|2,0,0]=4 7606 B8R0.6 CCNCCC(C)CC 2230a_100020591266_100000210202 [1,1,0,0,0,0|1,0,1]=4 7607 B8R0.6 CCOCCC(C)CC 7a_100011215188_100000210202 [1,1,0,0,0,0|1,0,1]=4 7608 B8R0.6 CCOCCC(C)NC 270004a_106832991635_200011216536 [1,1,0,0,0,0|2,0,0]=4 7609 B8R0.6 CCOCCC(C)OC 7a_100000764861_100000210202 [1,1,0,0,0,0|2,0,0]=4 7610 B8R0.6 CC[C@H](C)COCC=O 7a_100009816381_200015260668 [1,1,0,0,0,0|1,0,0]=3 7611 B8R0.6 CC[C@H](C)CSCC=O 62a_100009816398_200015260668 [1,1,0,0,0,0|1,0,0]=3 7612 B8R0.6 CC[C@H](C)CSCC=O 62a_200015260668_100009816398 [1,1,0,0,0,0|1,0,0]=3 7613 B8R0.6 CC[C@H](C)CSCOC 62a_100000766300_100009816398 [1,1,0,0,0,0|2,0,0]=4 7614 B8R0.6 CC[C@H](C)CSCOC 62a_100009816398_100000766300 [1,1,0,0,0,0|2,0,0]=4 7615 B8R0.6 CC[C@H](C)CSCSC 62a_100009816398_100011218213 [1,1,0,0,0,0|2,0,0]=4 7616 B8R0.6 CC[C@H](C)CSCSC 62a_100011218213_100009816398 [1,1,0,0,0,0|2,0,0]=4 7617 B8R0.6 CNC(C)CCCSC 270004a_106832991635_100011399439 [1,1,0,0,0,0|2,0,0]=4 7618 B8R0.6 COC(C)COCC=O 34a_100000690652_200009817547 [1,1,0,0,0,0|2,0,0]=4 7619 B8R0.6 COCCCC(C)OC 34a_200011539412_200000210301 [1,1,0,0,0,0|2,0,0]=4 7620 B8R0.6 COCCCC(C)OC 7a_200011539412_200000210301 [1,1,0,0,0,0|2,0,0]=4 7621 B8R0.6 COCCCC(C)O[13CH3] 34a_200011539412_200025704644 [1,1,0,0,0,0|2,0,0]=4 7622 B8R0.6 COCCCC(C)O[13CH3] 7a_200011539412_200025704644 [1,1,0,0,0,0|2,0,0]=4 7623 B8R0.6 COCCC[C@@H](C)CN 34a_100160569302_200000210301 [1,1,0,0,0,0|2,0,0]=4 7624 B8R0.6 CO[C@H](C)CNCC=O 2230a_100020591295_200015260668 [1,1,0,0,0,0|2,0,0]=4 7625 B8R0.6 C[C@@H](CN)CCCO[13CH3] 34a_100160569302_200025704644 [1,1,0,0,0,0|2,0,0]=4 7626 B8R0.6 C[C@@H](CO)CSCC=O 62a_100000059175_200015260668 [1,1,0,0,0,0|2,0,0]=4 7627 B8R0.6 C[C@@H](CO)CSCC=O 62a_200015260668_100000059175 [1,1,0,0,0,0|2,0,0]=4 7628 B8R0.6 NC[C@@H](F)COCC=O 34a_100015665980_200009817547 [1,1,0,0,0,0|2,0,0]=4 7629 B8R0.6 O=CCNC[C@@H](F)CO 34a_100015665980_200009817547 [1,1,0,0,0,0|2,0,0]=4 7630 B8R0.6 O=CCNC[C@H](O)CO 2230a_100020644852_200015260668 [1,1,0,0,0,0|2,0,0]=4 7631 B8R0.6 O=CCOCC(Cl)CCl 34a_100000033668_200009817547 [1,1,0,0,0,0|2,0,0]=4 7632 B8R0.6 O=CCSCC(O)CO 62a_100011219619_200015260668 [1,1,0,0,0,0|2,0,0]=4 7633 B8R0.6 O=CCSCC(O)CO 62a_200015260668_100011219619 [1,1,0,0,0,0|2,0,0]=4 7634 B8R0.6 O=CCSC[C@@H](O)CF 62a_100015614560_200015260668 [1,1,0,0,0,0|2,0,0]=4 7635 B8R0.6 O=CCSC[C@@H](O)CF 62a_200015260668_100015614560 [1,1,0,0,0,0|2,0,0]=4 7636 B8R0.6 O=CCSC[C@@H](O)CO 62a_100009815848_200015260668 [1,1,0,0,0,0|2,0,0]=4 7637 B8R0.6 O=CCSC[C@@H](O)CO 62a_200015260668_100009815848 [1,1,0,0,0,0|2,0,0]=4 7638 B8R0.5 C=C(C)CC(=O)CCC 1458a_100000211992_100000748629 [1,1,0,0,0,0|1,0,1]=4 7639 B8R0.5 C=C(C)CN(C)CCC 2230a_100000225649_100000210303 [1,1,0,0,0,0|2,0,0]=4 7640 B8R0.5 C=C(C)CN(C)CCC 2230a_100000747261_100000748629 [1,1,0,0,0,0|2,0,0]=4 7641 B8R0.5 C=C(C)CN(C)CCC 269982a_100000225649_100000210303 [1,1,0,0,0,0|2,0,0]=4 7642 B8R0.5 C=C(C)CN(C)CCC 269982a_100000747261_100000748629 [1,1,0,0,0,0|2,0,0]=4 7643 B8R0.5 C=C(CCC)CC(=O)C 1458a_100000138376_200000210301 [1,1,0,0,0,0|0,0,1]=3 7644 B8R0.5 C=C(CCC)CC(=O)[13CH3] 1458a_100000138376_200025704644 [1,1,0,0,0,0|0,0,1]=3 7645 B8R0.5 CC(=O)N[C@H](C)CCO 240690a_100000706166_100015343762 [1,1,0,0,0,0|2,0,0]=4 7646 B8R0.5 CC(=O)N[C@H](C)CCO 527a_100000706166_100103153847 [1,1,0,0,0,0|2,0,0]=4 7647 B8R0.5 CCCC(=CC(=O)C)C 1458a_100020676950_200000210301 [1,1,0,0,0,0|0,0,2]=4 7648 B8R0.5 CCCC(=CC(=O)[13CH3])C 1458a_100020676950_200025704644 [1,1,0,0,0,0|0,0,2]=4 7649 B8R0.5 CCCC(=O)CC(=O)C 1458a_100000070787_100000747444 [1,1,0,0,0,0|0,0,1]=3 7650 B8R0.5 CCCC(=O)CC(=O)N 1458a_100000211992_100000187820 [1,1,0,0,0,0|1,0,1]=4 7651 B8R0.5 CCCC(=O)CC(=O)N 1458a_100134613110_100000210303 [1,1,0,0,0,0|1,0,1]=4 7652 B8R0.5 CCCC(=O)CC(=O)[O-] 1458a_100000211992_100020667443 [1,1,0,0,0,0|1,0,1]=4 7653 B8R0.5 CCCC(C)CC(=O)C 1458a_100000070787_100011216630 [1,1,0,0,0,0|0,0,0]=2 7654 B8R0.5 CCCC(C)CC(=O)C 1458a_100000748435_200000210301 [1,1,0,0,0,0|0,0,0]=2 7655 B8R0.5 CCCC(C)CC(=O)[13CH3] 1458a_100000748435_200025704644 [1,1,0,0,0,0|0,0,0]=2 7656 B8R0.5 CCCC(C)CN(C)C 2230a_100102631434_100011216630 [1,1,0,0,0,0|2,0,0]=4 7657 B8R0.5 CCCC(C)CN(C)C 269982a_100102631434_100011216630 [1,1,0,0,0,0|2,0,0]=4 7658 B8R0.5 CCCC(C)CN(C)C 270004a_100102631434_100000243154 [1,1,0,0,0,0|2,0,0]=4 7659 B8R0.5 CCCC(C)NC(=O)C 11a_100000741246_100015343762 [1,1,0,0,0,0|1,0,0]=3 7660 B8R0.5 CCCC(C)NC(=O)C 1626a_100000741246_100015343762 [1,1,0,0,0,0|1,0,0]=3 7661 B8R0.5 CCCC(C)NC(=O)C 240690a_100000741246_100015343762 [1,1,0,0,0,0|1,0,0]=3 7662 B8R0.5 CCCC(C)NC(=O)C 527a_100000741246_100103153847 [1,1,0,0,0,0|1,0,0]=3 7663 B8R0.5 CCCN(C)CC(=O)N 2230a_100000739694_100000210303 [1,1,0,0,0,0|2,0,0]=4 7664 B8R0.5 CCCN(C)CC(=O)N 2230a_100000747261_100000747473 [1,1,0,0,0,0|2,0,0]=4 7665 B8R0.5 CCCN(C)CC(=O)N 269982a_100000747261_100000187820 [1,1,0,0,0,0|2,0,0]=4 7666 B8R0.5 CCCN(C)CC(=O)O 269956a_100000746989_100000210207 [1,1,0,0,0,0|2,0,0]=4 7667 B8R0.5 CCCN(C)CC(=O)[O-] 269982a_100000747261_100020667443 [1,1,0,0,0,0|2,0,0]=4 7668 B8R0.5 CCCS(=O)CC(=O)C 1458a_100011387404_200000210301 [1,1,0,0,0,0|1,0,0]=3 7669 B8R0.5 CCCS(=O)CC(=O)[13CH3] 1458a_100011387404_200025704644 [1,1,0,0,0,0|1,0,0]=3 7670 B8R0.5 CCNC(=O)CC(=O)C 1458a_100000070787_100000183381 [1,1,0,0,0,0|1,0,1]=4 7671 B8R0.5 CCOC(=O)CC(=O)C 1458a_100000070787_100000188475 [1,1,0,0,0,0|1,0,1]=4 7672 B8R0.5 CCOC(=O)CC(=O)C 1458a_100000243816_200000210301 [1,1,0,0,0,0|1,0,1]=4 7673 B8R0.5 CCOC(=O)CC(=O)[13CH3] 1458a_100000243816_200025704644 [1,1,0,0,0,0|1,0,1]=4 7674 B8R0.5 CCSC(C)CC(=O)C 1458a_200011311441_200000210301 [1,1,0,0,0,0|1,0,0]=3 7675 B8R0.5 CCSC(C)CC(=O)[13CH3] 1458a_200011311441_200025704644 [1,1,0,0,0,0|1,0,0]=3 7676 B8R0.5 CCSC(C)OC(=O)C 62a_100000210202_100009818208 [1,1,0,0,0,0|2,0,0]=4 7677 B8R0.5 CCSC(C)OC(=O)C 62a_100009818208_100000210202 [1,1,0,0,0,0|2,0,0]=4 7678 B8R0.5 CNCC(O)CC(=O)O 269956a_100011218706_200000210301 [1,1,0,0,0,0|2,0,0]=4 7679 B8R0.5 COC[C@@H](C)NC(=O)C 11a_100000764878_100015343762 [1,1,0,0,0,0|2,0,0]=4 7680 B8R0.5 COC[C@@H](C)NC(=O)C 1626a_100000764878_100015343762 [1,1,0,0,0,0|2,0,0]=4 7681 B8R0.5 COC[C@@H](C)NC(=O)C 240690a_100000764878_100015343762 [1,1,0,0,0,0|2,0,0]=4 7682 B8R0.5 COC[C@@H](C)NC(=O)C 527a_100000764878_100103153847 [1,1,0,0,0,0|2,0,0]=4 7683 B8R0.5 [13CH3]NCC(O)CC(=O)O 269956a_100011218706_200025704644 [1,1,0,0,0,0|2,0,0]=4 7684 B8R0.8 C=C(C)C(=O)CCCC 1458a_100000185857_100000210211 [1,1,0,0,0,0|1,0,1]=4 7685 B8R0.8 C=C(C)C(C)NCCC 269862a_100020643023_100011216138 [1,1,0,0,0,0|2,0,0]=4 7686 B8R0.8 CC(=O)C(C)COCF 34a_100000032740_100015361967 [1,1,0,0,0,0|2,0,0]=4 7687 B8R0.8 CC(=O)C(C)COCF 7a_100000032740_100015361967 [1,1,0,0,0,0|2,0,0]=4 7688 B8R0.8 CC(=O)C(C)NCCO 2230a_100016997473_100009814033 [1,1,0,0,0,0|2,0,0]=4 7689 B8R0.8 CC(=O)C(C)OCCF 34a_100000212229_100011217306 [1,1,0,0,0,0|2,0,0]=4 7690 B8R0.8 CC(=O)C(C)OCCO 34a_100000212229_100000211926 [1,1,0,0,0,0|2,0,0]=4 7691 B8R0.8 CC(=O)C(C)SCCF 62a_100009814033_100011217306 [1,1,0,0,0,0|2,0,0]=4 7692 B8R0.8 CC(=O)C(C)SCCF 62a_100011217306_100009814033 [1,1,0,0,0,0|2,0,0]=4 7693 B8R0.8 CC(=O)C(C)SCCO 62a_100000211926_100009814033 [1,1,0,0,0,0|2,0,0]=4 7694 B8R0.8 CC(=O)C(C)SCCO 62a_100009814033_100000211926 [1,1,0,0,0,0|2,0,0]=4 7695 B8R0.8 CC(=O)N(C)CCCO 240690a_100000213112_100015343762 [1,1,0,0,0,0|2,0,0]=4 7696 B8R0.8 CC(=O)N(C)CCCO 527a_100000213112_100103153847 [1,1,0,0,0,0|2,0,0]=4 7697 B8R0.8 CCC/C=C(\C)/C(=O)C 1458a_200020648666_200000210301 [1,1,0,0,0,0|0,0,2]=4 7698 B8R0.8 CCC/C=C(\C)/C(=O)[13CH3] 1458a_200020648666_200025704644 [1,1,0,0,0,0|0,0,2]=4 7699 B8R0.8 CCCCC(C)C(=O)C 1458a_100000070787_200011215066 [1,1,0,0,0,0|0,0,0]=2 7700 B8R0.8 CCCCC(C)C(=O)C 1458a_100000725509_200000210301 [1,1,0,0,0,0|0,0,0]=2 7701 B8R0.8 CCCCC(C)C(=O)[13CH3] 1458a_100000725509_200025704644 [1,1,0,0,0,0|0,0,0]=2 7702 B8R0.8 CCCCC(C)N(C)C 2230a_100102631434_200011215066 [1,1,0,0,0,0|2,0,0]=4 7703 B8R0.8 CCCCC(C)N(C)C 269982a_100102631434_200011215066 [1,1,0,0,0,0|2,0,0]=4 7704 B8R0.8 CCCCC(C)N(C)C 270004a_100102631434_100000210087 [1,1,0,0,0,0|2,0,0]=4 7705 B8R0.8 CCCCC(O)C(=O)C 1458a_100000720857_200000210301 [1,1,0,0,0,0|0,0,0]=2 7706 B8R0.8 CCCCC(O)C(=O)[13CH3] 1458a_100000720857_200025704644 [1,1,0,0,0,0|0,0,0]=2 7707 B8R0.8 CCCCN(C)C(=O)C 11a_100000207549_100015343762 [1,1,0,0,0,0|1,0,0]=3 7708 B8R0.8 CCCCN(C)C(=O)C 1626a_100000207549_100015343762 [1,1,0,0,0,0|1,0,0]=3 7709 B8R0.8 CCCCN(C)C(=O)C 240690a_100000207549_100015343762 [1,1,0,0,0,0|1,0,0]=3 7710 B8R0.8 CCCCN(C)C(=O)C 527a_100000207549_100103153847 [1,1,0,0,0,0|1,0,0]=3 7711 B8R0.8 CCCNC(=O)C(=O)C 1458a_200011297150_200000210301 [1,1,0,0,0,0|1,0,1]=4 7712 B8R0.8 CCCNC(=O)C(=O)[13CH3] 1458a_200011297150_200025704644 [1,1,0,0,0,0|1,0,1]=4 7713 B8R0.8 CCCN[C@@H](C)C(=O)O 269956a_100000743915_100000210207 [1,1,0,0,0,0|2,0,0]=4 7714 B8R0.8 CCCN[C@H](C)C(=O)N 2230a_100000119354_100000210303 [1,1,0,0,0,0|2,0,0]=4 7715 B8R0.8 CCCN[C@H](C)C(=O)N 34a_100000119354_100000210303 [1,1,0,0,0,0|2,0,0]=4 7716 B8R0.8 CCCOC(C)C(=O)C 34a_100000212229_100000210303 [1,1,0,0,0,0|1,0,0]=3 7717 B8R0.8 CCCOC(C)C(=O)N 34a_100000210258_100000702099 [1,1,0,0,0,0|2,0,0]=4 7718 B8R0.8 CCCOC(F)C(=O)N 34a_100000210258_100009813875 [1,1,0,0,0,0|2,0,0]=4 7719 B8R0.8 CCCOC(F)C(=O)[O-] 34a_100000210258_100020610796 [1,1,0,0,0,0|2,0,0]=4 7720 B8R0.8 CCCO[C@@H](C)C(=O)[O-] 7a_217856618621_100000210303 [1,1,0,0,0,0|2,0,0]=4 7721 B8R0.8 CCCO[C@H](C)C(=O)N 34a_100000731257_100000210303 [1,1,0,0,0,0|2,0,0]=4 7722 B8R0.8 CCCO[C@H](C)C(=O)N 7a_100000731257_100000210303 [1,1,0,0,0,0|2,0,0]=4 7723 B8R0.8 CCCSC(C)C(=O)C 62a_100000210303_100009814033 [1,1,0,0,0,0|1,0,0]=3 7724 B8R0.8 CCCSC(C)C(=O)C 62a_100009814033_100000210303 [1,1,0,0,0,0|1,0,0]=3 7725 B8R0.8 CCCSC(C)C(=O)N 62a_100000210303_100000702099 [1,1,0,0,0,0|2,0,0]=4 7726 B8R0.8 CCCSC(C)C(=O)N 62a_100000702099_100000210303 [1,1,0,0,0,0|2,0,0]=4 7727 B8R0.8 CCCSC(F)C(=O)N 62a_100000210303_100009813875 [1,1,0,0,0,0|2,0,0]=4 7728 B8R0.8 CCCSC(F)C(=O)N 62a_100009813875_100000210303 [1,1,0,0,0,0|2,0,0]=4 7729 B8R0.8 CCCSC(F)C(=O)[O-] 62a_100000210303_100020610796 [1,1,0,0,0,0|2,0,0]=4 7730 B8R0.8 CCCSC(F)C(=O)[O-] 62a_100020610796_100000210303 [1,1,0,0,0,0|2,0,0]=4 7731 B8R0.8 CCNCC(C)C(=O)O 269956a_100000749485_100000210202 [1,1,0,0,0,0|2,0,0]=4 7732 B8R0.8 CCNCC(F)C(=O)O 269956a_100000084737_100000210202 [1,1,0,0,0,0|2,0,0]=4 7733 B8R0.8 CCOCC(=O)C(=O)C 34a_100121572206_100011261029 [1,1,0,0,0,0|1,0,1]=4 7734 B8R0.8 CCOCC(C)C(=O)C 34a_100000032740_100000210202 [1,1,0,0,0,0|1,0,0]=3 7735 B8R0.8 CCOCC(C)C(=O)C 7a_100000032740_100000210202 [1,1,0,0,0,0|1,0,0]=3 7736 B8R0.8 CCOC[C@H](N)C(=O)N 34a_100000729942_100000210202 [1,1,0,0,0,0|2,0,0]=4 7737 B8R0.8 CCSCC(=O)C(=O)C 62a_100000210202_100011261029 [1,1,0,0,0,0|1,0,1]=4 7738 B8R0.8 CCSCC(=O)C(=O)C 62a_100011261029_100000210202 [1,1,0,0,0,0|1,0,1]=4 7739 B8R0.8 COCCN(C)C(=O)C 11a_100000743101_100015343762 [1,1,0,0,0,0|2,0,0]=4 7740 B8R0.8 COCCN(C)C(=O)C 1626a_100000743101_100015343762 [1,1,0,0,0,0|2,0,0]=4 7741 B8R0.8 COCCN(C)C(=O)C 240690a_100000743101_100015343762 [1,1,0,0,0,0|2,0,0]=4 7742 B8R0.8 COCCN(C)C(=O)C 527a_100000743101_100103153847 [1,1,0,0,0,0|2,0,0]=4 7743 B8R0.8 COCSC(C)C(=O)C 62a_100000766300_100009814033 [1,1,0,0,0,0|2,0,0]=4 7744 B8R0.8 COCSC(C)C(=O)C 62a_100009814033_100000766300 [1,1,0,0,0,0|2,0,0]=4 7745 B8R0.8 CSCCC(O)C(=O)C 1458a_100000685904_200000210301 [1,1,0,0,0,0|1,0,0]=3 7746 B8R0.8 CSCCC(O)C(=O)[13CH3] 1458a_100000685904_200025704644 [1,1,0,0,0,0|1,0,0]=3 7747 B8R0.8 CSCCN(C)C(=O)C 11a_100000686725_100015343762 [1,1,0,0,0,0|2,0,0]=4 7748 B8R0.8 CSCCN(C)C(=O)C 1626a_100000686725_100015343762 [1,1,0,0,0,0|2,0,0]=4 7749 B8R0.8 CSCCN(C)C(=O)C 240690a_100000686725_100015343762 [1,1,0,0,0,0|2,0,0]=4 7750 B8R0.8 CSCCN(C)C(=O)C 527a_100000686725_100103153847 [1,1,0,0,0,0|2,0,0]=4 7751 B8R0.8 CSCOC(C)C(=O)C 34a_100000212229_100011218213 [1,1,0,0,0,0|2,0,0]=4 7752 B8R0.8 CSCSC(C)C(=O)C 62a_100009814033_100011218213 [1,1,0,0,0,0|2,0,0]=4 7753 B8R0.8 CSCSC(C)C(=O)C 62a_100011218213_100009814033 [1,1,0,0,0,0|2,0,0]=4 7754 B8R0.9 C=C(C)CCC(=O)CC 1458a_100000210414_100000730704 [1,1,0,0,0,0|1,0,1]=4 7755 B8R0.9 C=C(C)CCC(=O)CC 1458a_200000688413_100000210202 [1,1,0,0,0,0|1,0,1]=4 7756 B8R0.9 C=C(C)CCC(C)NC 270004a_106832991635_100011215600 [1,1,0,0,0,0|2,0,0]=4 7757 B8R0.9 C=C(C)CCN(C)CC 2230a_100000225621_100000730704 [1,1,0,0,0,0|2,0,0]=4 7758 B8R0.9 C=C(C)CCN(C)CC 269982a_100000225621_100000730704 [1,1,0,0,0,0|2,0,0]=4 7759 B8R0.9 C=C(C)CNC(C)CC 2230a_100000209981_100000748629 [1,1,0,0,0,0|2,0,0]=4 7760 B8R0.9 C=C(C)COC(C)CC 34a_100000210245_100011215416 [1,1,0,0,0,0|2,0,0]=4 7761 B8R0.9 C=C(C)COC(C)CC 7a_100000210228_100000748629 [1,1,0,0,0,0|2,0,0]=4 7762 B8R0.9 C=C(C)CSC(C)CC 62a_100000748629_100000758301 [1,1,0,0,0,0|2,0,0]=4 7763 B8R0.9 C=C(C)CSC(C)CC 62a_100000758301_100000211660 [1,1,0,0,0,0|2,0,0]=4 7764 B8R0.9 CC(=O)COC(C)CO 34a_100000211253_100012180447 [1,1,0,0,0,0|2,0,0]=4 7765 B8R0.9 CC(=O)NCC(C)CO 240690a_100000744482_100015343762 [1,1,0,0,0,0|2,0,0]=4 7766 B8R0.9 CC(=O)NCC(C)CO 527a_100000744482_100103153847 [1,1,0,0,0,0|2,0,0]=4 7767 B8R0.9 CC(=O)NC[C@@H](F)CO 240690a_100015665980_100015343762 [1,1,0,0,0,0|2,0,0]=4 7768 B8R0.9 CC(=O)NC[C@@H](F)CO 527a_100015665980_100103153847 [1,1,0,0,0,0|2,0,0]=4 7769 B8R0.9 CC(=O)NC[C@H](O)CO 240690a_100020644852_100015343762 [1,1,0,0,0,0|2,0,0]=4 7770 B8R0.9 CC(=O)NC[C@H](O)CO 527a_100020644852_100103153847 [1,1,0,0,0,0|2,0,0]=4 7771 B8R0.9 CCC(=O)CCC(=O)N 1458a_100011215257_100000210202 [1,1,0,0,0,0|1,0,1]=4 7772 B8R0.9 CCC(=O)CNC(=O)C 1458a_100000194580_100000210202 [1,1,0,0,0,0|1,0,1]=4 7773 B8R0.9 CCC(=O)COC(=O)C 1458a_100000183556_100000210202 [1,1,0,0,0,0|1,0,1]=4 7774 B8R0.9 CCC(=O)CSC(=O)C 1458a_100000049016_100000210202 [1,1,0,0,0,0|1,0,1]=4 7775 B8R0.9 CCC(=O)NCC(=O)C 1458a_100000194589_200000210301 [1,1,0,0,0,0|1,0,1]=4 7776 B8R0.9 CCC(=O)NCC(=O)[13CH3] 1458a_100000194589_200025704644 [1,1,0,0,0,0|1,0,1]=4 7777 B8R0.9 CCC(C)CCC(=O)C 1458a_100000701222_200000210301 [1,1,0,0,0,0|0,0,0]=2 7778 B8R0.9 CCC(C)CCC(=O)[13CH3] 1458a_100000701222_200025704644 [1,1,0,0,0,0|0,0,0]=2 7779 B8R0.9 CCC(C)CNC(=O)C 11a_100020588543_100015343762 [1,1,0,0,0,0|1,0,0]=3 7780 B8R0.9 CCC(C)CNC(=O)C 1626a_100020588543_100015343762 [1,1,0,0,0,0|1,0,0]=3 7781 B8R0.9 CCC(C)CNC(=O)C 240690a_100020588543_100015343762 [1,1,0,0,0,0|1,0,0]=3 7782 B8R0.9 CCC(C)CNC(=O)C 527a_100020588543_100103153847 [1,1,0,0,0,0|1,0,0]=3 7783 B8R0.9 CCC(C)NCC(=O)N 2230a_100000209981_100000747473 [1,1,0,0,0,0|2,0,0]=4 7784 B8R0.9 CCC(C)NCC(=O)N 2230a_100000711301_100000758301 [1,1,0,0,0,0|2,0,0]=4 7785 B8R0.9 CCC(C)NCC(=O)O 269956a_100016091260_100000758301 [1,1,0,0,0,0|2,0,0]=4 7786 B8R0.9 CCC(C)NNC(=O)C 22a_100000718999_100000070787 [1,1,0,0,0,0|2,0,0]=4 7787 B8R0.9 CCC(C)OCC(=O)C 34a_100000211253_100011215416 [1,1,0,0,0,0|1,0,0]=3 7788 B8R0.9 CCC(C)OCC(=O)N 7a_100000210228_100000187820 [1,1,0,0,0,0|2,0,0]=4 7789 B8R0.9 CCC(C)SCC(=O)N 62a_100000747473_100000758301 [1,1,0,0,0,0|2,0,0]=4 7790 B8R0.9 CCC(C)SCC(=O)N 62a_100000758301_100000747473 [1,1,0,0,0,0|2,0,0]=4 7791 B8R0.9 CCC(C)SCC(=O)[O-] 62a_100000758301_100020667443 [1,1,0,0,0,0|2,0,0]=4 7792 B8R0.9 CCC(C)SCC(=O)[O-] 62a_100020667443_100000758301 [1,1,0,0,0,0|2,0,0]=4 7793 B8R0.9 CCC(O)CNC(=O)C 11a_100011218483_100015343762 [1,1,0,0,0,0|1,0,0]=3 7794 B8R0.9 CCC(O)CNC(=O)C 240690a_100011218483_100015343762 [1,1,0,0,0,0|1,0,0]=3 7795 B8R0.9 CCC(O)CNC(=O)C 527a_100011218483_100103153847 [1,1,0,0,0,0|1,0,0]=3 7796 B8R0.9 CCN(C)CCC(=O)C 1458a_100000755305_200000210301 [1,1,0,0,0,0|1,0,0]=3 7797 B8R0.9 CCN(C)CCC(=O)C 269982a_100000225621_100000053229 [1,1,0,0,0,0|1,0,0]=3 7798 B8R0.9 CCN(C)CCC(=O)N 2230a_100000225621_100000744528 [1,1,0,0,0,0|2,0,0]=4 7799 B8R0.9 CCN(C)CCC(=O)N 2230a_100000730477_100000210202 [1,1,0,0,0,0|2,0,0]=4 7800 B8R0.9 CCN(C)CCC(=O)N 2230a_100020645749_200000210301 [1,1,0,0,0,0|2,0,0]=4 7801 B8R0.9 CCN(C)CCC(=O)N 269982a_100000225621_100000744528 [1,1,0,0,0,0|2,0,0]=4 7802 B8R0.9 CCN(C)CCC(=O)[13CH3] 1458a_100000755305_200025704644 [1,1,0,0,0,0|1,0,0]=3 7803 B8R0.9 CCN(C)COC(=O)C 269982a_100000225621_100000076356 [1,1,0,0,0,0|2,0,0]=4 7804 B8R0.9 CCN([13CH3])CCC(=O)N 2230a_100020645749_200025704644 [1,1,0,0,0,0|2,0,0]=4 7805 B8R0.9 CCS(=O)CCC(=O)C 1458a_100011387550_200000210301 [1,1,0,0,0,0|1,0,0]=3 7806 B8R0.9 CCS(=O)CCC(=O)[13CH3] 1458a_100011387550_200025704644 [1,1,0,0,0,0|1,0,0]=3 7807 B8R0.9 CNC(=O)CCC(=O)C 1458a_100011309844_200000210301 [1,1,0,0,0,0|1,0,1]=4 7808 B8R0.9 CNC(=O)CCC(=O)[13CH3] 1458a_100011309844_200025704644 [1,1,0,0,0,0|1,0,1]=4 7809 B8R0.9 CNC(C)COC(=O)C 270004a_106832991635_100000000629 [1,1,0,0,0,0|2,0,0]=4 7810 B8R0.9 COC(=O)CCC(=O)C 1458a_100000187943_200000210301 [1,1,0,0,0,0|1,0,1]=4 7811 B8R0.9 COC(=O)CCC(=O)[13CH3] 1458a_100000187943_200025704644 [1,1,0,0,0,0|1,0,1]=4 7812 B8R0.9 CO[C@H](C)CNC(=O)C 11a_100020591295_100015343762 [1,1,0,0,0,0|2,0,0]=4 7813 B8R0.9 CO[C@H](C)CNC(=O)C 1626a_100020591295_100015343762 [1,1,0,0,0,0|2,0,0]=4 7814 B8R0.9 CO[C@H](C)CNC(=O)C 240690a_100020591295_100015343762 [1,1,0,0,0,0|2,0,0]=4 7815 B8R0.9 CO[C@H](C)CNC(=O)C 527a_100020591295_100103153847 [1,1,0,0,0,0|2,0,0]=4 7816 B8R0.21 CCCCNS(=O)(=O)C 40a_100000102301_100000738038 [1,1,0,0,0,0|2,0,0]=4 7817 B8R0.21 CCNCCS(=O)(=O)C 2230a_100000740961_100000210202 [1,1,0,0,0,0|2,0,0]=4 7818 B8R0.21 CCNCCS(=O)(=O)C 2230a_100015525214_100000731031 [1,1,0,0,0,0|2,0,0]=4 7819 B8R0.21 CCNCCS(=O)(=O)C 34a_100000740961_100000210202 [1,1,0,0,0,0|2,0,0]=4 7820 B8R0.21 CCOCCS(=O)(=O)C 34a_100000211924_100000210202 [1,1,0,0,0,0|2,0,0]=4 7821 B8R0.21 CCOCCS(=O)(=O)C 34a_100121572206_100000731031 [1,1,0,0,0,0|2,0,0]=4 7822 B8R0.21 CCOCCS(=O)(=O)C 7a_100000211924_100000210202 [1,1,0,0,0,0|2,0,0]=4 7823 B8R0.21 CCSCCS(=O)(=O)C 62a_100000210202_100000230027 [1,1,0,0,0,0|2,0,0]=4 7824 B8R0.21 CCSCCS(=O)(=O)C 62a_100000731031_100000210202 [1,1,0,0,0,0|2,0,0]=4 7825 B8R0.21 CNCCCS(=O)(=O)C 2230a_100000742409_200000210301 [1,1,0,0,0,0|2,0,0]=4 7826 B8R0.21 CNCCCS(=O)(=O)C 2230a_106832991635_100000754308 [1,1,0,0,0,0|2,0,0]=4 7827 B8R0.21 CNCCCS(=O)(=O)C 34a_100000742409_200000210301 [1,1,0,0,0,0|2,0,0]=4 7828 B8R0.21 CNCCCS(=O)(=O)C 34a_100102657272_100000754308 [1,1,0,0,0,0|2,0,0]=4 7829 B8R0.21 CNCCCS(=O)(=O)C 7a_106832991635_100000754308 [1,1,0,0,0,0|2,0,0]=4 7830 B8R0.21 COCCCS(=O)(=O)C 34a_100000689940_200000210301 [1,1,0,0,0,0|2,0,0]=4 7831 B8R0.21 COCCCS(=O)(=O)C 34a_100138415774_100000754308 [1,1,0,0,0,0|2,0,0]=4 7832 B8R0.21 COCCCS(=O)(=O)C 7a_100000689940_200000210301 [1,1,0,0,0,0|2,0,0]=4 7833 B8R0.21 CS(=O)(=O)CCCN[13CH3] 2230a_100000742409_200025704644 [1,1,0,0,0,0|2,0,0]=4 7834 B8R0.21 CS(=O)(=O)CCCN[13CH3] 34a_100000742409_200025704644 [1,1,0,0,0,0|2,0,0]=4 7835 B8R0.21 CS(=O)(=O)CCCO[13CH3] 34a_100000689940_200025704644 [1,1,0,0,0,0|2,0,0]=4 7836 B8R0.21 CS(=O)(=O)CCCO[13CH3] 7a_100000689940_200025704644 [1,1,0,0,0,0|2,0,0]=4 7837 B8R0.21 CS(=O)(=O)CCCS[13CH3] 62a_100000754308_200025704644 [1,1,0,0,0,0|2,0,0]=4 7838 B8R0.21 CS(=O)(=O)CCCS[13CH3] 62a_200025704644_100000754308 [1,1,0,0,0,0|2,0,0]=4 7839 B8R0.21 CSCCCS(=O)(=O)C 62a_100000754308_200000210301 [1,1,0,0,0,0|2,0,0]=4 7840 B8R0.21 CSCCCS(=O)(=O)C 62a_200000210301_100000754308 [1,1,0,0,0,0|2,0,0]=4 7841 B8R0.28 C=C(C)CCNC(C)C 2230a_100138425928_100000730704 [1,1,0,0,0,0|2,0,0]=4 7842 B8R0.28 C=C(C)CCNC(C)C 34a_100138425928_100000730704 [1,1,0,0,0,0|2,0,0]=4 7843 B8R0.28 C=C(C)CCOC(C)C 34a_100000212225_100000730704 [1,1,0,0,0,0|2,0,0]=4 7844 B8R0.28 C=C(C)CCOC(C)C 34a_100000764851_100000210206 [1,1,0,0,0,0|2,0,0]=4 7845 B8R0.28 C=C(C)CCSC(C)C 62a_100000210206_100000730704 [1,1,0,0,0,0|2,0,0]=4 7846 B8R0.28 C=C(C)CCSC(C)C 62a_100000730704_100000210206 [1,1,0,0,0,0|2,0,0]=4 7847 B8R0.28 C=C(C)CNCC(C)C 2230a_100000210953_100000748629 [1,1,0,0,0,0|2,0,0]=4 7848 B8R0.28 C=C(C)CNCC(C)C 34a_100000210953_100000748629 [1,1,0,0,0,0|2,0,0]=4 7849 B8R0.28 C=C(C)CNCC(C)O 2230a_100000210904_100000748629 [1,1,0,0,0,0|2,0,0]=4 7850 B8R0.28 C=C(C)CNCC(C)O 34a_100000210904_100000748629 [1,1,0,0,0,0|2,0,0]=4 7851 B8R0.28 C=C(C)COCC(=O)C 34a_100000211253_100000748629 [1,1,0,0,0,0|1,0,1]=4 7852 B8R0.28 C=C(C)COCC(C)Br 34a_100012180447_100000748629 [1,1,0,0,0,0|2,0,0]=4 7853 B8R0.28 C=C(C)COCC(C)C 34a_100000210245_100000210624 [1,1,0,0,0,0|2,0,0]=4 7854 B8R0.28 C=C(C)COCC(C)C 34a_100000210257_100000748629 [1,1,0,0,0,0|2,0,0]=4 7855 B8R0.28 C=C(C)COCC(C)F 34a_100015925927_100000748629 [1,1,0,0,0,0|2,0,0]=4 7856 B8R0.28 C=C(C)COCC(C)O 34a_100000210245_100011218427 [1,1,0,0,0,0|2,0,0]=4 7857 B8R0.28 C=C(C)COC[C@@H](C)Cl 34a_100016084084_100000748629 [1,1,0,0,0,0|2,0,0]=4 7858 B8R0.28 C=C(C)COC[C@@H](C)N 34a_100000737577_100000748629 [1,1,0,0,0,0|2,0,0]=4 7859 B8R0.28 C=C(C)COC[C@@H](C)O 34a_100000210245_100009817552 [1,1,0,0,0,0|2,0,0]=4 7860 B8R0.28 C=C(C)CSCC(C)C 62a_100000210624_100000211660 [1,1,0,0,0,0|2,0,0]=4 7861 B8R0.28 C=C(C)CSCC(C)C 62a_100000748629_100000210760 [1,1,0,0,0,0|2,0,0]=4 7862 B8R0.28 C=C(C)CSCC(C)O 62a_100000748629_100011218427 [1,1,0,0,0,0|2,0,0]=4 7863 B8R0.28 C=C(C)CSCC(C)O 62a_100011218427_100000211660 [1,1,0,0,0,0|2,0,0]=4 7864 B8R0.28 C=C(C)CSC[C@@H](C)O 62a_100000748629_100009817552 [1,1,0,0,0,0|2,0,0]=4 7865 B8R0.28 C=C(C)CSC[C@@H](C)O 62a_100009817552_100000211660 [1,1,0,0,0,0|2,0,0]=4 7866 B8R0.28 CC(=O)C/C=C/C(C)C 1458a_100016292215_200000210301 [1,1,0,0,0,0|0,0,2]=4 7867 B8R0.28 CC(=O)CCC=C(C)C 1458a_100000070787_100011217483 [1,1,0,0,0,0|0,0,2]=4 7868 B8R0.28 CC(=O)CCCC(=O)C 1458a_100000070787_100011215641 [1,1,0,0,0,0|0,0,1]=3 7869 B8R0.28 CC(=O)CCCC(=O)N 1458a_100000070787_100102525003 [1,1,0,0,0,0|1,0,1]=4 7870 B8R0.28 CC(=O)CCCC(C)C 1458a_100000070787_100011214892 [1,1,0,0,0,0|0,0,0]=2 7871 B8R0.28 CC(=O)CCCC(C)C 1458a_100011216857_200000210301 [1,1,0,0,0,0|0,0,0]=2 7872 B8R0.28 CC(=O)CCCC(C)O 1458a_100000070787_200000718107 [1,1,0,0,0,0|0,0,0]=2 7873 B8R0.28 CC(=O)CCCN(C)C 1458a_100000070787_100000695564 [1,1,0,0,0,0|1,0,0]=3 7874 B8R0.28 CC(=O)CCCN(C)C 269982a_100102631434_100011215641 [1,1,0,0,0,0|1,0,0]=3 7875 B8R0.28 CC(=O)CCC[N+](=O)[O-] 1458a_100016109205_200000210301 [1,1,0,0,0,0|2,0,0]=4 7876 B8R0.28 CC(=O)CCNC(=O)C 1458a_100000070787_100000189650 [1,1,0,0,0,0|1,0,1]=4 7877 B8R0.28 CC(=O)CCNC(=O)C 1458a_100000183196_200000210301 [1,1,0,0,0,0|1,0,1]=4 7878 B8R0.28 CC(=O)CCOC(=O)C 1458a_100000070787_100009814007 [1,1,0,0,0,0|1,0,1]=4 7879 B8R0.28 CC(=O)CCOC(C)C 1458a_100000070787_100000211751 [1,1,0,0,0,0|1,0,0]=3 7880 B8R0.28 CC(=O)CCOC(C)C 34a_100000759926_100000210206 [1,1,0,0,0,0|1,0,0]=3 7881 B8R0.28 CC(=O)CCOC(C)C 7a_100000759926_100000210206 [1,1,0,0,0,0|1,0,0]=3 7882 B8R0.28 CC(=O)CCSC(=O)C 1458a_100000048949_200000210301 [1,1,0,0,0,0|1,0,1]=4 7883 B8R0.28 CC(=O)CCSC(C)C 1458a_100000070787_100000730970 [1,1,0,0,0,0|1,0,0]=3 7884 B8R0.28 CC(=O)CCSC(C)C 62a_100000053229_100000210206 [1,1,0,0,0,0|1,0,0]=3 7885 B8R0.28 CC(=O)CCSC(C)C 62a_100000210206_100000053229 [1,1,0,0,0,0|1,0,0]=3 7886 B8R0.28 CC(=O)COCC(C)C 1458a_100011223364_200000210301 [1,1,0,0,0,0|1,0,0]=3 7887 B8R0.28 CC(=O)COCC(C)C 34a_100000211253_100000210624 [1,1,0,0,0,0|1,0,0]=3 7888 B8R0.28 CC(=O)COCC(C)O 34a_100000211253_100011218427 [1,1,0,0,0,0|1,0,0]=3 7889 B8R0.28 CC(=O)COCC(F)F 34a_100000211253_100011934356 [1,1,0,0,0,0|2,0,0]=4 7890 B8R0.28 CC(=O)COC[C@@H](C)O 34a_100000211253_100009817552 [1,1,0,0,0,0|1,0,0]=3 7891 B8R0.28 CC(=O)NCCC(=O)[13CH3] 1458a_100000183196_200025704644 [1,1,0,0,0,0|1,0,1]=4 7892 B8R0.28 CC(=O)NCCC(C)C 11a_100000210545_100015343762 [1,1,0,0,0,0|1,0,0]=3 7893 B8R0.28 CC(=O)NCCC(C)C 1626a_100000210545_100015343762 [1,1,0,0,0,0|1,0,0]=3 7894 B8R0.28 CC(=O)NCCC(C)C 240690a_100000210545_100015343762 [1,1,0,0,0,0|1,0,0]=3 7895 B8R0.28 CC(=O)NCCC(C)C 527a_100000210545_100103153847 [1,1,0,0,0,0|1,0,0]=3 7896 B8R0.28 CC(=O)NCCC(C)O 240690a_200000755665_100015343762 [1,1,0,0,0,0|1,0,0]=3 7897 B8R0.28 CC(=O)NCCC(C)O 527a_200000755665_100103153847 [1,1,0,0,0,0|1,0,0]=3 7898 B8R0.28 CC(=O)NCCN(C)C 2230a_100102631434_100000189650 [1,1,0,0,0,0|2,0,0]=4 7899 B8R0.28 CC(=O)NCCN(C)C 240690a_100000210585_100015343762 [1,1,0,0,0,0|2,0,0]=4 7900 B8R0.28 CC(=O)NCCN(C)C 269982a_100102631434_100000189650 [1,1,0,0,0,0|2,0,0]=4 7901 B8R0.28 CC(=O)NCCN(C)C 527a_100000210585_100103153847 [1,1,0,0,0,0|2,0,0]=4 7902 B8R0.28 CC(=O)NNCC(C)C 22a_100000696102_100000070787 [1,1,0,0,0,0|2,0,0]=4 7903 B8R0.28 CC(=O)NNCC(C)O 22a_200000730056_100000070787 [1,1,0,0,0,0|2,0,0]=4 7904 B8R0.28 CC(=O)OCCN(C)C 269982a_100102631434_100009814007 [1,1,0,0,0,0|2,0,0]=4 7905 B8R0.28 CC(=O)OCNC(C)C 34a_100138425928_100009813279 [1,1,0,0,0,0|2,0,0]=4 7906 B8R0.28 CC(=O)OCOC(C)C 34a_100000212225_100009813279 [1,1,0,0,0,0|2,0,0]=4 7907 B8R0.28 CC(=O)OCSC(C)C 62a_100000076356_100000210206 [1,1,0,0,0,0|2,0,0]=4 7908 B8R0.28 CC(=O)OCSC(C)C 62a_100000210206_100000076356 [1,1,0,0,0,0|2,0,0]=4 7909 B8R0.28 CC(=O)SCCC(=O)[13CH3] 1458a_100000048949_200025704644 [1,1,0,0,0,0|1,0,1]=4 7910 B8R0.28 CC(Br)COCC(=O)N 34a_100012180447_100000187820 [1,1,0,0,0,0|2,0,0]=4 7911 B8R0.28 CC(Br)COCC(=O)[O-] 34a_100012180447_100020667443 [1,1,0,0,0,0|2,0,0]=4 7912 B8R0.28 CC(C)/C=C/CC(=O)[13CH3] 1458a_100016292215_200025704644 [1,1,0,0,0,0|0,0,2]=4 7913 B8R0.28 CC(C)CCCC(=O)[13CH3] 1458a_100011216857_200025704644 [1,1,0,0,0,0|0,0,0]=2 7914 B8R0.28 CC(C)CCCN(C)C 2230a_100102631434_100011214892 [1,1,0,0,0,0|2,0,0]=4 7915 B8R0.28 CC(C)CCCN(C)C 269982a_100102631434_100011214892 [1,1,0,0,0,0|2,0,0]=4 7916 B8R0.28 CC(C)CNCC(=O)N 2230a_100000210953_100000747473 [1,1,0,0,0,0|2,0,0]=4 7917 B8R0.28 CC(C)CNCC(=O)N 2230a_100000711301_100000210760 [1,1,0,0,0,0|2,0,0]=4 7918 B8R0.28 CC(C)CNCC(=O)N 34a_100000210953_100000187820 [1,1,0,0,0,0|2,0,0]=4 7919 B8R0.28 CC(C)CNCC(=O)O 269956a_100016091260_100000210760 [1,1,0,0,0,0|2,0,0]=4 7920 B8R0.28 CC(C)CNCC(=O)[O-] 34a_100000210953_100020667443 [1,1,0,0,0,0|2,0,0]=4 7921 B8R0.28 CC(C)COCC(=O)N 34a_100000210257_100000187820 [1,1,0,0,0,0|2,0,0]=4 7922 B8R0.28 CC(C)COCC(=O)[13CH3] 1458a_100011223364_200025704644 [1,1,0,0,0,0|1,0,0]=3 7923 B8R0.28 CC(C)COCC(=O)[O-] 34a_100000210257_100020667443 [1,1,0,0,0,0|2,0,0]=4 7924 B8R0.28 CC(C)CSCC(=O)N 62a_100000210624_100000747473 [1,1,0,0,0,0|2,0,0]=4 7925 B8R0.28 CC(C)CSCC(=O)N 62a_100000747473_100000210760 [1,1,0,0,0,0|2,0,0]=4 7926 B8R0.28 CC(C)CSCC(=O)[O-] 62a_100000210624_100020667443 [1,1,0,0,0,0|2,0,0]=4 7927 B8R0.28 CC(C)CSCC(=O)[O-] 62a_100020667443_100000210760 [1,1,0,0,0,0|2,0,0]=4 7928 B8R0.28 CC(C)NCCC(=O)N 2230a_100138425928_100000744528 [1,1,0,0,0,0|2,0,0]=4 7929 B8R0.28 CC(C)NCCC(=O)N 34a_100138425928_100000731001 [1,1,0,0,0,0|2,0,0]=4 7930 B8R0.28 CC(C)OCCC(=O)N 34a_100000212225_100000731001 [1,1,0,0,0,0|2,0,0]=4 7931 B8R0.28 CC(C)OCCC(=O)N 34a_100000757172_100000210206 [1,1,0,0,0,0|2,0,0]=4 7932 B8R0.28 CC(C)OCCC(=O)N 7a_100000757172_100000210206 [1,1,0,0,0,0|2,0,0]=4 7933 B8R0.28 CC(C)SCCC(=O)N 62a_100000210206_100000744528 [1,1,0,0,0,0|2,0,0]=4 7934 B8R0.28 CC(C)SCCC(=O)N 62a_100000744528_100000210206 [1,1,0,0,0,0|2,0,0]=4 7935 B8R0.28 CC(F)COCC(=O)N 34a_100015925927_100000187820 [1,1,0,0,0,0|2,0,0]=4 7936 B8R0.28 CC(F)COCC(=O)[O-] 34a_100015925927_100020667443 [1,1,0,0,0,0|2,0,0]=4 7937 B8R0.28 CC(O)CCCN(C)C 2230a_100102631434_200000718107 [1,1,0,0,0,0|2,0,0]=4 7938 B8R0.28 CC(O)CCCN(C)C 269982a_100102631434_200000718107 [1,1,0,0,0,0|2,0,0]=4 7939 B8R0.28 CC(O)CNCC(=O)N 2230a_100000210904_100000747473 [1,1,0,0,0,0|2,0,0]=4 7940 B8R0.28 CC(O)CNCC(=O)N 2230a_100000711301_100011218427 [1,1,0,0,0,0|2,0,0]=4 7941 B8R0.28 CC(O)CNCC(=O)N 34a_100000210904_100000187820 [1,1,0,0,0,0|2,0,0]=4 7942 B8R0.28 CC(O)CNCC(=O)O 269956a_100016091260_100011218427 [1,1,0,0,0,0|2,0,0]=4 7943 B8R0.28 CC(O)CNCC(=O)[O-] 34a_100000210904_100020667443 [1,1,0,0,0,0|2,0,0]=4 7944 B8R0.28 CC(O)CSCC(=O)N 62a_100000747473_100011218427 [1,1,0,0,0,0|2,0,0]=4 7945 B8R0.28 CC(O)CSCC(=O)N 62a_100011218427_100000747473 [1,1,0,0,0,0|2,0,0]=4 7946 B8R0.28 CC(O)CSCC(=O)[O-] 62a_100011218427_100020667443 [1,1,0,0,0,0|2,0,0]=4 7947 B8R0.28 CC(O)CSCC(=O)[O-] 62a_100020667443_100011218427 [1,1,0,0,0,0|2,0,0]=4 7948 B8R0.28 CN(C)CCCC(=O)N 269982a_100102631434_100102525003 [1,1,0,0,0,0|2,0,0]=4 7949 B8R0.28 CN(C)CCCC(=O)O 269956a_100000719178_200000210301 [1,1,0,0,0,0|2,0,0]=4 7950 B8R0.28 CN([13CH3])CCCC(=O)O 269956a_100000719178_200025704644 [1,1,0,0,0,0|2,0,0]=4 7951 B8R0.28 C[C@@H](Cl)COCC(=O)N 34a_100016084084_100000187820 [1,1,0,0,0,0|2,0,0]=4 7952 B8R0.28 C[C@@H](Cl)COCC(=O)[O-] 34a_100016084084_100020667443 [1,1,0,0,0,0|2,0,0]=4 7953 B8R0.28 C[C@@H](N)COCC(=O)N 34a_100000737577_100000187820 [1,1,0,0,0,0|2,0,0]=4 7954 B8R0.28 C[C@@H](N)COCC(=O)[O-] 34a_100000737577_100020667443 [1,1,0,0,0,0|2,0,0]=4 7955 B8R0.28 C[C@@H](O)CNCC(=O)N 2230a_100000711301_100009817552 [1,1,0,0,0,0|2,0,0]=4 7956 B8R0.28 C[C@@H](O)CNCC(=O)O 269956a_100016091260_100009817552 [1,1,0,0,0,0|2,0,0]=4 7957 B8R0.28 C[C@@H](O)CSCC(=O)N 62a_100000747473_100009817552 [1,1,0,0,0,0|2,0,0]=4 7958 B8R0.28 C[C@@H](O)CSCC(=O)N 62a_100009817552_100000747473 [1,1,0,0,0,0|2,0,0]=4 7959 B8R0.28 C[C@@H](O)CSCC(=O)[O-] 62a_100009817552_100020667443 [1,1,0,0,0,0|2,0,0]=4 7960 B8R0.28 C[C@@H](O)CSCC(=O)[O-] 62a_100020667443_100009817552 [1,1,0,0,0,0|2,0,0]=4 7961 B8R0.28 [13CH3]C(=O)CCC[N+](=O)[O-] 1458a_100016109205_200025704644 [1,1,0,0,0,0|2,0,0]=4 7962 B10R0.3 C#CCC(=O)CCCC(=O)C 1458a_100011220946_100011215641 [0,2,0,0,0,0|0,0,2]=4 7963 B10R0.3 C#CCC(C)OCCC(=O)C 7a_100000685586_100000053229 [0,2,0,0,0,0|0,0,2]=4 7964 B10R0.3 C#CCN(C)CCCC(=O)C 34a_100000225692_100000685027 [0,2,0,0,0,0|0,0,2]=4 7965 B10R0.3 C=C(Br)CCOC(C)CCC 34a_100009813270_100000766640 [0,2,0,0,0,0|1,0,1]=4 7966 B10R0.3 C=C(C)CCNC(C)CCC 2230a_100000741246_100000730704 [0,2,0,0,0,0|1,0,0]=3 7967 B10R0.3 C=C(C)CCN[C@H](C)CCO 2230a_100000706166_100000730704 [0,2,0,0,0,0|2,0,0]=4 7968 B10R0.3 C=C(C)CCN[C@H](C)CCO 34a_100000706166_100000730704 [0,2,0,0,0,0|2,0,0]=4 7969 B10R0.3 C=C(C)CCN[C@H](C)COC 2230a_100000764878_100000730704 [0,2,0,0,0,0|2,0,0]=4 7970 B10R0.3 C=C(C)CCOC(C)CCBr 34a_100012276601_100000730704 [0,2,0,0,0,0|2,0,0]=4 7971 B10R0.3 C=C(C)CCOC(C)CCC 34a_100000764384_100000730704 [0,2,0,0,0,0|1,0,0]=3 7972 B10R0.3 C=C(C)CCOC(C)CCC 34a_100000764851_100000766640 [0,2,0,0,0,0|1,0,0]=3 7973 B10R0.3 C=C(C)CCOC(C)CCC 7a_100000764384_100000730704 [0,2,0,0,0,0|1,0,0]=3 7974 B10R0.3 C=C(C)CCOC(C)CCO 34a_100000764851_100009893172 [0,2,0,0,0,0|2,0,0]=4 7975 B10R0.3 C=C(C)CCOC(C)COC 34a_100000764851_100000765312 [0,2,0,0,0,0|2,0,0]=4 7976 B10R0.3 C=C(C)CCO[C@H](C)COC 34a_100011934205_100000730704 [0,2,0,0,0,0|2,0,0]=4 7977 B10R0.3 C=C(C)CCSC(C)CCC 62a_100000730704_100000766640 [0,2,0,0,0,0|1,0,0]=3 7978 B10R0.3 C=C(C)CCSC(C)CCC 62a_100000766640_100000730704 [0,2,0,0,0,0|1,0,0]=3 7979 B10R0.3 C=C(C)CCSC(C)CCO 62a_100000730704_100009893172 [0,2,0,0,0,0|2,0,0]=4 7980 B10R0.3 C=C(C)CCSC(C)CCO 62a_100009893172_100000730704 [0,2,0,0,0,0|2,0,0]=4 7981 B10R0.3 C=C(C)CCSC(C)COC 62a_100000730704_100000765312 [0,2,0,0,0,0|2,0,0]=4 7982 B10R0.3 C=C(C)CCSC(C)COC 62a_100000765312_100000730704 [0,2,0,0,0,0|2,0,0]=4 7983 B10R0.3 C=C(C)CNCC(O)COC 2230a_100000756049_100000748629 [0,2,0,0,0,0|2,0,0]=4 7984 B10R0.3 C=C(C)CNCC(O)COC 34a_100000756049_100000748629 [0,2,0,0,0,0|2,0,0]=4 7985 B10R0.3 C=C(C)COCC(C)CCC 34a_100000210245_100011216630 [0,2,0,0,0,0|1,0,0]=3 7986 B10R0.3 C=C(C)COCC(C)CCC 34a_100000688023_100000748629 [0,2,0,0,0,0|1,0,0]=3 7987 B10R0.3 C=C(C)COCC(C)CCC 7a_100000688023_100000748629 [0,2,0,0,0,0|1,0,0]=3 7988 B10R0.3 C=C(C)COCC(C)CCN 34a_106354213184_100000748629 [0,2,0,0,0,0|2,0,0]=4 7989 B10R0.3 C=C(C)COCC(N)COC 34a_100000724102_100000748629 [0,2,0,0,0,0|2,0,0]=4 7990 B10R0.3 C=C(C)COCC(O)COC 34a_100000210245_100011215053 [0,2,0,0,0,0|2,0,0]=4 7991 B10R0.3 C=C(C)COC[C@@H](N)CCC 34a_100000732646_100000748629 [0,2,0,0,0,0|1,0,0]=3 7992 B10R0.3 C=C(C)CSCC(=O)CCC 62a_100000747444_100000211660 [0,2,0,0,0,0|1,0,1]=4 7993 B10R0.3 C=C(C)CSCC(=O)CCC 62a_100000748629_100000747444 [0,2,0,0,0,0|1,0,1]=4 7994 B10R0.3 C=C(C)CSCC(C)CCC 62a_100000748629_100011216630 [0,2,0,0,0,0|1,0,0]=3 7995 B10R0.3 C=C(C)CSCC(C)CCC 62a_100011216630_100000211660 [0,2,0,0,0,0|1,0,0]=3 7996 B10R0.3 C=C(C)CSCC(O)COC 62a_100000748629_100011215053 [0,2,0,0,0,0|2,0,0]=4 7997 B10R0.3 C=C(C)CSCC(O)COC 62a_100011215053_100000211660 [0,2,0,0,0,0|2,0,0]=4 7998 B10R0.3 C=C(F)COCC(C)CCC 34a_100000688023_100009893438 [0,2,0,0,0,0|1,0,1]=4 7999 B10R0.3 C=C(F)COCC(C)CCC 34a_200010262243_100011216630 [0,2,0,0,0,0|1,0,1]=4 8000 B10R0.3 C=C(F)COCC(C)CCC 7a_100000688023_100000042424 [0,2,0,0,0,0|1,0,1]=4 8001 B10R0.3 C=C(F)COC[C@@H](N)CCC 34a_100000732646_100009893438 [0,2,0,0,0,0|1,0,1]=4 8002 B10R0.3 C=C(F)CSCC(C)CCC 62a_100000042424_100011216630 [0,2,0,0,0,0|1,0,1]=4 8003 B10R0.3 C=C(F)CSCC(C)CCC 62a_100011216630_100000042424 [0,2,0,0,0,0|1,0,1]=4 8004 B10R0.3 C=CCC(=O)CCCC(=O)C 1458a_100000210193_100011215641 [0,2,0,0,0,0|0,0,2]=4 8005 B10R0.3 C=CCN(C)CCCC(=O)C 269982a_100000225617_100011215641 [0,2,0,0,0,0|0,0,2]=4 8006 B10R0.3 C=CC[C@@H](C)OCCC(=O)C 7a_100000731007_100000053229 [0,2,0,0,0,0|0,0,2]=4 8007 B10R0.3 CC#CC(=O)CCCC(=O)C 1458a_100000763181_100011215641 [0,2,0,0,0,0|0,0,2]=4 8008 B10R0.3 CC(=O)CCCC(=O)CC#N 1458a_100051588842_100011215641 [0,2,0,0,0,0|0,0,2]=4 8009 B10R0.3 CC(=O)CCCC(=O)CCO 1458a_100011216618_100011215641 [0,2,0,0,0,0|0,0,1]=3 8010 B10R0.3 CC(=O)CCCN(C)CCO 269982a_100000210263_100011215641 [0,2,0,0,0,0|1,0,0]=3 8011 B10R0.3 CC(=O)CCOC(C)CC#N 7a_100000759926_100009813641 [0,2,0,0,0,0|1,0,1]=4 8012 B10R0.3 CC(=O)CCOC(C)CCO 34a_100000759926_100009893172 [0,2,0,0,0,0|1,0,0]=3 8013 B10R0.3 CC(=O)CCOC(C)CCO 7a_100000759926_100009893172 [0,2,0,0,0,0|1,0,0]=3 8014 B10R0.3 CC(=O)CCSC(C)CC#N 62a_100000053229_100009813641 [0,2,0,0,0,0|1,0,1]=4 8015 B10R0.3 CC(=O)CCSC(C)CC#N 62a_100009813641_100000053229 [0,2,0,0,0,0|1,0,1]=4 8016 B10R0.3 CC(=O)CCSC(C)CCO 62a_100000053229_100009893172 [0,2,0,0,0,0|1,0,0]=3 8017 B10R0.3 CC(=O)CCSC(C)CCO 62a_100009893172_100000053229 [0,2,0,0,0,0|1,0,0]=3 8018 B10R0.3 CC(=O)NCCC(=O)CCF 1458a_100000183196_100011217306 [0,2,0,0,0,0|1,0,1]=4 8019 B10R0.3 CC(=O)NCCC(=O)CCO 1458a_100000183196_100000211926 [0,2,0,0,0,0|1,0,1]=4 8020 B10R0.3 CC(=O)NCCC(=O)CCO 1458a_100011216618_100000189650 [0,2,0,0,0,0|1,0,1]=4 8021 B10R0.3 CC(=O)NCCN(C)CCO 2230a_100000210263_100000189650 [0,2,0,0,0,0|2,0,0]=4 8022 B10R0.3 CC(=O)NCCN(C)CCO 269982a_100000210263_100000189650 [0,2,0,0,0,0|2,0,0]=4 8023 B10R0.3 CC(=O)OCCC(=O)CCO 1458a_100011216618_100009814007 [0,2,0,0,0,0|1,0,1]=4 8024 B10R0.3 CC(=O)OCCN(C)CCO 269982a_100000210263_100009814007 [0,2,0,0,0,0|2,0,0]=4 8025 B10R0.3 CC(=O)OCN[C@H](C)CCO 34a_100000706166_100009813279 [0,2,0,0,0,0|2,0,0]=4 8026 B10R0.3 CC(=O)OCOC(C)CCBr 34a_100012276601_100009813279 [0,2,0,0,0,0|2,0,0]=4 8027 B10R0.3 CC(=O)OCSC(C)CCO 62a_100000076356_100009893172 [0,2,0,0,0,0|2,0,0]=4 8028 B10R0.3 CC(=O)OCSC(C)CCO 62a_100009893172_100000076356 [0,2,0,0,0,0|2,0,0]=4 8029 B10R0.3 CC(=O)SCCC(=O)CCF 1458a_100000048949_100011217306 [0,2,0,0,0,0|1,0,1]=4 8030 B10R0.3 CC(=O)SCCC(=O)CCO 1458a_100000048949_100000211926 [0,2,0,0,0,0|1,0,1]=4 8031 B10R0.3 CC(CCBr)OCCC(=O)N 34a_100012276601_100000731001 [0,2,0,0,0,0|2,0,0]=4 8032 B10R0.3 CC(CCCC(=O)[O-])OCF 7a_100000761597_100015361967 [0,2,0,0,0,0|2,0,0]=4 8033 B10R0.3 CC(CCN)COCC(=O)N 34a_106354213184_100000187820 [0,2,0,0,0,0|2,0,0]=4 8034 B10R0.3 CC(CCN)COCC(=O)[O-] 34a_106354213184_100020667443 [0,2,0,0,0,0|2,0,0]=4 8035 B10R0.3 CC(CCO)OCCC(=O)N 34a_100000757172_100009893172 [0,2,0,0,0,0|2,0,0]=4 8036 B10R0.3 CC(CCO)OCCC(=O)N 7a_100000757172_100009893172 [0,2,0,0,0,0|2,0,0]=4 8037 B10R0.3 CC(CCO)SCCC(=O)N 62a_100000744528_100009893172 [0,2,0,0,0,0|2,0,0]=4 8038 B10R0.3 CC(CCO)SCCC(=O)N 62a_100009893172_100000744528 [0,2,0,0,0,0|2,0,0]=4 8039 B10R0.3 CC=CC(=O)CCCC(=O)C 1458a_100000210699_100011215641 [0,2,0,0,0,0|0,0,2]=4 8040 B10R0.3 CCCC(=O)CCC=C(C)C 1458a_100000211992_100011217483 [0,2,0,0,0,0|1,0,1]=4 8041 B10R0.3 CCCC(=O)CCCC(=O)C 1458a_100000211992_100011215641 [0,2,0,0,0,0|0,0,0]=2 8042 B10R0.3 CCCC(=O)CCCC(=O)N 1458a_100000211992_100102525003 [0,2,0,0,0,0|1,0,0]=3 8043 B10R0.3 CCCC(=O)CCCC(C)C 1458a_100000211992_100011214892 [0,2,0,0,0,0|1,0,1]=4 8044 B10R0.3 CCCC(=O)CCCC(C)C 1458a_100011216857_100000210303 [0,2,0,0,0,0|1,0,1]=4 8045 B10R0.3 CCCC(=O)CCCC(C)O 1458a_100000211992_200000718107 [0,2,0,0,0,0|0,0,2]=4 8046 B10R0.3 CCCC(=O)CCCN(C)C 1458a_100000211992_100000695564 [0,2,0,0,0,0|2,0,0]=4 8047 B10R0.3 CCCC(=O)CCC[N+](=O)[O-] 1458a_100016109205_100000210303 [0,2,0,0,0,0|2,0,0]=4 8048 B10R0.3 CCCC(=O)CCNC(=O)C 1458a_100000183196_100000210303 [0,2,0,0,0,0|0,0,1]=3 8049 B10R0.3 CCCC(=O)CCNC(=O)C 1458a_100000211992_100000189650 [0,2,0,0,0,0|0,0,1]=3 8050 B10R0.3 CCCC(=O)CCNC(=O)N 1458a_100000181464_100000210303 [0,2,0,0,0,0|1,0,1]=4 8051 B10R0.3 CCCC(=O)CCNC(=O)N 1458a_100000211992_200000034859 [0,2,0,0,0,0|1,0,1]=4 8052 B10R0.3 CCCC(=O)CCOC(=O)C 1458a_100000211992_100009814007 [0,2,0,0,0,0|0,0,1]=3 8053 B10R0.3 CCCC(=O)CCOC(=O)N 1458a_100000211992_200011214921 [0,2,0,0,0,0|1,0,1]=4 8054 B10R0.3 CCCC(=O)CCSC(=O)C 1458a_100000048949_100000210303 [0,2,0,0,0,0|0,0,1]=3 8055 B10R0.3 CCCC(=O)CNCC(=O)N 2230a_100000711301_100000747444 [0,2,0,0,0,0|1,0,1]=4 8056 B10R0.3 CCCC(=O)CNCC(=O)O 269956a_100016091260_100000747444 [0,2,0,0,0,0|1,0,1]=4 8057 B10R0.3 CCCC(=O)COCC(=O)N 1458a_100011219004_100000210303 [0,2,0,0,0,0|1,0,1]=4 8058 B10R0.3 CCCC(=O)CSCC(=O)N 62a_100000747444_100000747473 [0,2,0,0,0,0|1,0,1]=4 8059 B10R0.3 CCCC(=O)CSCC(=O)N 62a_100000747473_100000747444 [0,2,0,0,0,0|1,0,1]=4 8060 B10R0.3 CCCC(=O)CSCC(=O)[O-] 62a_100000747444_100020667443 [0,2,0,0,0,0|1,0,1]=4 8061 B10R0.3 CCCC(=O)CSCC(=O)[O-] 62a_100020667443_100000747444 [0,2,0,0,0,0|1,0,1]=4 8062 B10R0.3 CCCC(=O)NCCC(=O)N 11a_100000740010_100000211992 [0,2,0,0,0,0|1,0,1]=4 8063 B10R0.3 CCCC(=O)NCCC(=O)N 240690a_100000740010_100000211992 [0,2,0,0,0,0|1,0,1]=4 8064 B10R0.3 CCCC(=O)NCCC(=O)N 527a_100000740010_100000211992 [0,2,0,0,0,0|1,0,1]=4 8065 B10R0.3 CCCC(C)C=NNC(=O)C 4a_100000189765_100000243154 [0,2,0,0,0,0|1,0,1]=4 8066 B10R0.3 CCCC(C)CCOC(C)C 34a_100011217855_100000210206 [0,2,0,0,0,0|1,0,1]=4 8067 B10R0.3 CCCC(C)CCOC(C)C 7a_100011217855_100000210206 [0,2,0,0,0,0|1,0,1]=4 8068 B10R0.3 CCCC(C)CNCC(=O)N 2230a_100000711301_100011216630 [0,2,0,0,0,0|1,0,0]=3 8069 B10R0.3 CCCC(C)CNCC(=O)O 269956a_100016091260_100011216630 [0,2,0,0,0,0|1,0,0]=3 8070 B10R0.3 CCCC(C)CNCC(C)C 2230a_100000210953_100011216630 [0,2,0,0,0,0|1,0,1]=4 8071 B10R0.3 CCCC(C)CNCC(C)C 270004a_100000210953_100000243154 [0,2,0,0,0,0|1,0,1]=4 8072 B10R0.3 CCCC(C)CNCC(C)C 34a_100000210953_100011216630 [0,2,0,0,0,0|1,0,1]=4 8073 B10R0.3 CCCC(C)CNCC(C)O 2230a_100000210904_100011216630 [0,2,0,0,0,0|0,0,2]=4 8074 B10R0.3 CCCC(C)CNCC(C)O 270004a_100000210904_100000243154 [0,2,0,0,0,0|0,0,2]=4 8075 B10R0.3 CCCC(C)CNCC(C)O 34a_100000210904_100011216630 [0,2,0,0,0,0|0,0,2]=4 8076 B10R0.3 CCCC(C)COCC(=O)C 34a_100000211253_100011216630 [0,2,0,0,0,0|0,0,0]=2 8077 B10R0.3 CCCC(C)COCC(=O)N 34a_100000688023_100000187820 [0,2,0,0,0,0|1,0,0]=3 8078 B10R0.3 CCCC(C)COCC(=O)N 7a_100000688023_100000187820 [0,2,0,0,0,0|1,0,0]=3 8079 B10R0.3 CCCC(C)COCC(=O)[O-] 34a_100000688023_100020667443 [0,2,0,0,0,0|1,0,0]=3 8080 B10R0.3 CCCC(C)COCC(C)Br 34a_100012180447_100011216630 [0,2,0,0,0,0|1,0,1]=4 8081 B10R0.3 CCCC(C)COCC(C)C 34a_100000210257_100011216630 [0,2,0,0,0,0|1,0,1]=4 8082 B10R0.3 CCCC(C)COCC(C)C 34a_100000688023_100000210624 [0,2,0,0,0,0|1,0,1]=4 8083 B10R0.3 CCCC(C)COCC(C)C 7a_100000688023_100000210760 [0,2,0,0,0,0|1,0,1]=4 8084 B10R0.3 CCCC(C)COCC(C)F 34a_100015925927_100011216630 [0,2,0,0,0,0|1,0,1]=4 8085 B10R0.3 CCCC(C)COCC(C)O 34a_100000688023_100011218427 [0,2,0,0,0,0|0,0,2]=4 8086 B10R0.3 CCCC(C)COCC(C)O 7a_100000688023_100011218427 [0,2,0,0,0,0|0,0,2]=4 8087 B10R0.3 CCCC(C)COC[C@@H](C)Cl 34a_100016084084_100011216630 [0,2,0,0,0,0|1,0,1]=4 8088 B10R0.3 CCCC(C)COC[C@@H](C)N 34a_100000737577_100011216630 [0,2,0,0,0,0|1,0,1]=4 8089 B10R0.3 CCCC(C)COC[C@@H](C)O 34a_100000688023_100009817552 [0,2,0,0,0,0|0,0,2]=4 8090 B10R0.3 CCCC(C)COC[C@@H](C)O 7a_100000688023_100009817552 [0,2,0,0,0,0|0,0,2]=4 8091 B10R0.3 CCCC(C)COC[N+](=O)[O-] 34a_100000688023_100000761209 [0,2,0,0,0,0|2,0,0]=4 8092 B10R0.3 CCCC(C)CSCC(=O)N 62a_100000747473_100011216630 [0,2,0,0,0,0|1,0,0]=3 8093 B10R0.3 CCCC(C)CSCC(=O)N 62a_100011216630_100000747473 [0,2,0,0,0,0|1,0,0]=3 8094 B10R0.3 CCCC(C)CSCC(=O)[O-] 62a_100011216630_100020667443 [0,2,0,0,0,0|1,0,0]=3 8095 B10R0.3 CCCC(C)CSCC(=O)[O-] 62a_100020667443_100011216630 [0,2,0,0,0,0|1,0,0]=3 8096 B10R0.3 CCCC(C)CSCC(C)C 62a_100000210624_100011216630 [0,2,0,0,0,0|1,0,1]=4 8097 B10R0.3 CCCC(C)CSCC(C)C 62a_100011216630_100000210760 [0,2,0,0,0,0|1,0,1]=4 8098 B10R0.3 CCCC(C)CSCC(C)O 62a_100011216630_100011218427 [0,2,0,0,0,0|0,0,2]=4 8099 B10R0.3 CCCC(C)CSCC(C)O 62a_100011218427_100011216630 [0,2,0,0,0,0|0,0,2]=4 8100 B10R0.3 CCCC(C)CSC[C@@H](C)O 62a_100009817552_100011216630 [0,2,0,0,0,0|0,0,2]=4 8101 B10R0.3 CCCC(C)CSC[C@@H](C)O 62a_100011216630_100009817552 [0,2,0,0,0,0|0,0,2]=4 8102 B10R0.3 CCCC(C)CSC[N+](=O)[O-] 62a_100011216630_100000761209 [0,2,0,0,0,0|2,0,0]=4 8103 B10R0.3 CCCC(C)NCC=C(C)C 2230a_100000741246_100000761012 [0,2,0,0,0,0|1,0,1]=4 8104 B10R0.3 CCCC(C)NCC=C(C)C 270004a_100000718196_100000211909 [0,2,0,0,0,0|1,0,1]=4 8105 B10R0.3 CCCC(C)NCC=C(C)C 34a_100000718196_100000766640 [0,2,0,0,0,0|1,0,1]=4 8106 B10R0.3 CCCC(C)NCCC(=O)N 2230a_100000741246_100000744528 [0,2,0,0,0,0|1,0,0]=3 8107 B10R0.3 CCCC(C)NCCC(C)C 2230a_100000741246_100000210312 [0,2,0,0,0,0|1,0,1]=4 8108 B10R0.3 CCCC(C)NCCC(C)C 269862a_100000741246_100000185833 [0,2,0,0,0,0|1,0,1]=4 8109 B10R0.3 CCCC(C)NCCC(C)C 270004a_100000210545_100000211909 [0,2,0,0,0,0|1,0,1]=4 8110 B10R0.3 CCCC(C)NCCC(C)O 2230a_100000741246_100012276601 [0,2,0,0,0,0|0,0,2]=4 8111 B10R0.3 CCCC(C)NCCC(C)O 2230a_200000755665_100000766640 [0,2,0,0,0,0|0,0,2]=4 8112 B10R0.3 CCCC(C)NCCC(C)O 270004a_200000755665_100000211909 [0,2,0,0,0,0|0,0,2]=4 8113 B10R0.3 CCCC(C)NCCN(C)C 270004a_100000210585_100000211909 [0,2,0,0,0,0|2,0,0]=4 8114 B10R0.3 CCCC(C)NOCC(=O)O 269956a_100000106656_100000766640 [0,2,0,0,0,0|2,0,0]=4 8115 B10R0.3 CCCC(C)OCC=C(C)C 34a_100000753907_100000766640 [0,2,0,0,0,0|1,0,1]=4 8116 B10R0.3 CCCC(C)OCC=C(C)C 34a_100000764384_100000761012 [0,2,0,0,0,0|1,0,1]=4 8117 B10R0.3 CCCC(C)OCC=C(C)C 7a_100000764384_100000761012 [0,2,0,0,0,0|1,0,1]=4 8118 B10R0.3 CCCC(C)OCCC(=O)C 34a_100000759926_100000766640 [0,2,0,0,0,0|0,0,0]=2 8119 B10R0.3 CCCC(C)OCCC(=O)C 7a_100000759926_100000766640 [0,2,0,0,0,0|0,0,0]=2 8120 B10R0.3 CCCC(C)OCCC(=O)C 7a_100000764384_100000053229 [0,2,0,0,0,0|0,0,0]=2 8121 B10R0.3 CCCC(C)OCCC(=O)N 34a_100000757172_100000766640 [0,2,0,0,0,0|1,0,0]=3 8122 B10R0.3 CCCC(C)OCCC(=O)N 34a_100000764384_100000731001 [0,2,0,0,0,0|1,0,0]=3 8123 B10R0.3 CCCC(C)OCCC(=O)N 7a_100000757172_100000766640 [0,2,0,0,0,0|1,0,0]=3 8124 B10R0.3 CCCC(C)OCCC(=O)N 7a_100000764384_100000744528 [0,2,0,0,0,0|1,0,0]=3 8125 B10R0.3 CCCC(C)OCCC(C)Br 34a_100009893172_100000766640 [0,2,0,0,0,0|1,0,1]=4 8126 B10R0.3 CCCC(C)OCCC(C)C 34a_100000210254_100000766640 [0,2,0,0,0,0|1,0,1]=4 8127 B10R0.3 CCCC(C)OCCC(C)C 34a_100000764384_100000210312 [0,2,0,0,0,0|1,0,1]=4 8128 B10R0.3 CCCC(C)OCCC(C)C 7a_100000210254_100000766640 [0,2,0,0,0,0|1,0,1]=4 8129 B10R0.3 CCCC(C)OCCC(C)C 7a_100000764384_100000210626 [0,2,0,0,0,0|1,0,1]=4 8130 B10R0.3 CCCC(C)OCCC(C)O 34a_100000764384_100012276601 [0,2,0,0,0,0|0,0,2]=4 8131 B10R0.3 CCCC(C)OCCC(C)O 7a_100000764384_100012276601 [0,2,0,0,0,0|0,0,2]=4 8132 B10R0.3 CCCC(C)OCCN(C)C 7a_100000764384_100000755713 [0,2,0,0,0,0|2,0,0]=4 8133 B10R0.3 CCCC(C)OCC[C@@H](C)N 34a_100000706166_100000766640 [0,2,0,0,0,0|1,0,1]=4 8134 B10R0.3 CCCC(C)OCOC(=O)C 34a_100000764384_100009813279 [0,2,0,0,0,0|1,0,0]=3 8135 B10R0.3 CCCC(C)SCC=C(C)C 62a_100000761012_100000766640 [0,2,0,0,0,0|1,0,1]=4 8136 B10R0.3 CCCC(C)SCC=C(C)C 62a_100000766640_100000761012 [0,2,0,0,0,0|1,0,1]=4 8137 B10R0.3 CCCC(C)SCCC(=O)C 62a_100000053229_100000766640 [0,2,0,0,0,0|0,0,0]=2 8138 B10R0.3 CCCC(C)SCCC(=O)C 62a_100000766640_100000053229 [0,2,0,0,0,0|0,0,0]=2 8139 B10R0.3 CCCC(C)SCCC(=O)N 62a_100000744528_100000766640 [0,2,0,0,0,0|1,0,0]=3 8140 B10R0.3 CCCC(C)SCCC(=O)N 62a_100000766640_100000744528 [0,2,0,0,0,0|1,0,0]=3 8141 B10R0.3 CCCC(C)SCCC(C)C 62a_100000210312_100000766640 [0,2,0,0,0,0|1,0,1]=4 8142 B10R0.3 CCCC(C)SCCC(C)C 62a_100000766640_100000210312 [0,2,0,0,0,0|1,0,1]=4 8143 B10R0.3 CCCC(C)SCCC(C)O 62a_100000766640_100012276601 [0,2,0,0,0,0|0,0,2]=4 8144 B10R0.3 CCCC(C)SCCC(C)O 62a_100012276601_100000766640 [0,2,0,0,0,0|0,0,2]=4 8145 B10R0.3 CCCC(C)SCCN(C)C 62a_100000766640_100000755713 [0,2,0,0,0,0|2,0,0]=4 8146 B10R0.3 CCCC(C)SCOC(=O)C 62a_100000076356_100000766640 [0,2,0,0,0,0|1,0,0]=3 8147 B10R0.3 CCCC(C)SCOC(=O)C 62a_100000766640_100000076356 [0,2,0,0,0,0|1,0,0]=3 8148 B10R0.3 CCCN(C)CCC=C(C)C 2230a_100000747261_100011217483 [0,2,0,0,0,0|1,0,1]=4 8149 B10R0.3 CCCN(C)CCC=C(C)C 269982a_100000747261_100011217483 [0,2,0,0,0,0|1,0,1]=4 8150 B10R0.3 CCCN(C)CCCC(=O)C 269982a_100000747261_100011215641 [0,2,0,0,0,0|0,0,0]=2 8151 B10R0.3 CCCN(C)CCCC(=O)N 269982a_100000747261_100102525003 [0,2,0,0,0,0|1,0,0]=3 8152 B10R0.3 CCCN(C)CCCC(=O)O 269956a_100000719178_100000210207 [0,2,0,0,0,0|1,0,0]=3 8153 B10R0.3 CCCN(C)CCCC(C)C 2230a_100000747261_100011214892 [0,2,0,0,0,0|1,0,1]=4 8154 B10R0.3 CCCN(C)CCCC(C)C 269982a_100000747261_100011214892 [0,2,0,0,0,0|1,0,1]=4 8155 B10R0.3 CCCN(C)CCCC(C)O 2230a_100000747261_200000718107 [0,2,0,0,0,0|0,0,2]=4 8156 B10R0.3 CCCN(C)CCCC(C)O 269982a_100000747261_200000718107 [0,2,0,0,0,0|0,0,2]=4 8157 B10R0.3 CCCN(C)CCCN(C)C 269982a_100000225831_100000210303 [0,2,0,0,0,0|2,0,0]=4 8158 B10R0.3 CCCN(C)CCCN(C)C 269982a_100000717312_200000210301 [0,2,0,0,0,0|2,0,0]=4 8159 B10R0.3 CCCN(C)CCCN(C)C 269982a_100000747261_100000757444 [0,2,0,0,0,0|2,0,0]=4 8160 B10R0.3 CCCN(C)CCNC(=O)C 2230a_100000747261_100000189650 [0,2,0,0,0,0|1,0,0]=3 8161 B10R0.3 CCCN(C)CCNC(=O)C 269982a_100000747261_100000189650 [0,2,0,0,0,0|1,0,0]=3 8162 B10R0.3 CCCN(C)CCNC(=O)N 2230a_100000747261_200000034859 [0,2,0,0,0,0|2,0,0]=4 8163 B10R0.3 CCCN(C)CCNC(=O)N 269982a_100000747261_200000034859 [0,2,0,0,0,0|2,0,0]=4 8164 B10R0.3 CCCN(C)CCOC(=O)C 269982a_100000747261_100009814007 [0,2,0,0,0,0|1,0,0]=3 8165 B10R0.3 CCCN(C)CCOC(=O)N 269982a_100000747261_200011214921 [0,2,0,0,0,0|2,0,0]=4 8166 B10R0.3 CCCN([13CH3])CCCN(C)C 269982a_100000717312_200025704644 [0,2,0,0,0,0|2,0,0]=4 8167 B10R0.3 CCC[C@H](N)CCOC(C)C 34a_100015193777_100000210206 [0,2,0,0,0,0|1,0,1]=4 8168 B10R0.3 CCC[C@H](N)COCC(=O)N 34a_100000732646_100000187820 [0,2,0,0,0,0|1,0,0]=3 8169 B10R0.3 CCC[C@H](N)COCC(=O)[O-] 34a_100000732646_100020667443 [0,2,0,0,0,0|1,0,0]=3 8170 B10R0.3 CCC[C@H](N)COCC(C)C 34a_100000732646_100000210624 [0,2,0,0,0,0|1,0,1]=4 8171 B10R0.3 CCC[C@H](N)COCC(C)O 34a_100000732646_100011218427 [0,2,0,0,0,0|0,0,2]=4 8172 B10R0.3 CCC[C@H](N)COC[C@@H](C)O 34a_100000732646_100009817552 [0,2,0,0,0,0|0,0,2]=4 8173 B10R0.3 CCC[C@H](N)COC[N+](=O)[O-] 34a_100000732646_100000761209 [0,2,0,0,0,0|2,0,0]=4 8174 B10R0.3 CCNC(=O)CCCC(=O)C 1458a_100000199580_200000210301 [0,2,0,0,0,0|0,0,1]=3 8175 B10R0.3 CCNC(=O)CCCC(=O)[13CH3] 1458a_100000199580_200025704644 [0,2,0,0,0,0|0,0,1]=3 8176 B10R0.3 CCNC(=O)CCNC(=O)C 11a_100015525214_100000183196 [0,2,0,0,0,0|1,0,1]=4 8177 B10R0.3 CCNC(=O)CCNC(=O)C 11a_100025743525_100015343762 [0,2,0,0,0,0|1,0,1]=4 8178 B10R0.3 CCNC(=O)CCNC(=O)C 1626a_100025743525_100015343762 [0,2,0,0,0,0|1,0,1]=4 8179 B10R0.3 CCNC(=O)CCNC(=O)C 240690a_100015525214_100000183196 [0,2,0,0,0,0|1,0,1]=4 8180 B10R0.3 CCNC(=O)CCNC(=O)C 240690a_100025743525_100015343762 [0,2,0,0,0,0|1,0,1]=4 8181 B10R0.3 CCNC(=O)CCNC(=O)C 527a_100015525214_100000183196 [0,2,0,0,0,0|1,0,1]=4 8182 B10R0.3 CCNC(=O)CCNC(=O)C 527a_100025743525_100103153847 [0,2,0,0,0,0|1,0,1]=4 8183 B10R0.3 CCNC(=O)CCSC(=O)C 240690a_100015525214_100000048949 [0,2,0,0,0,0|1,0,1]=4 8184 B10R0.3 CCNC(=O)COCC(=O)C 34a_100000211253_100000183381 [0,2,0,0,0,0|1,0,1]=4 8185 B10R0.3 CCNC(=S)SCCC(=O)C 1458a_200009862762_200000210301 [0,2,0,0,0,0|1,0,1]=4 8186 B10R0.3 CCNC(=S)SCCC(=O)[13CH3] 1458a_200009862762_200025704644 [0,2,0,0,0,0|1,0,1]=4 8187 B10R0.3 CCNC(C)CCC=C(C)C 270004a_100015525214_100000765506 [0,2,0,0,0,0|1,0,1]=4 8188 B10R0.3 CCNC(C)CCCC(C)C 2230a_100000210607_100000210202 [0,2,0,0,0,0|1,0,1]=4 8189 B10R0.3 CCNC(C)CCCC(C)C 270004a_100015525214_100000753411 [0,2,0,0,0,0|1,0,1]=4 8190 B10R0.3 CCOC(=O)CCCC(=O)C 1458a_100000070787_100011215271 [0,2,0,0,0,0|0,0,1]=3 8191 B10R0.3 CCOC(=O)CCCC(=O)C 1458a_100000210991_200000210301 [0,2,0,0,0,0|0,0,1]=3 8192 B10R0.3 CCOC(=O)CCCC(=O)[13CH3] 1458a_100000210991_200025704644 [0,2,0,0,0,0|0,0,1]=3 8193 B10R0.3 CCOC(=O)CCNC(=O)C 188690a_100000746078_100015343762 [0,2,0,0,0,0|1,0,1]=4 8194 B10R0.3 CCOC(=O)COCC(=O)C 34a_100000211253_100000188475 [0,2,0,0,0,0|1,0,1]=4 8195 B10R0.3 CCOC(=O)NCCC(=O)C 1458a_100000070787_200011445536 [0,2,0,0,0,0|1,0,1]=4 8196 B10R0.3 CCOC(C)CCC=C(C)C 34a_100102619829_100000210202 [0,2,0,0,0,0|1,0,1]=4 8197 B10R0.3 CCOC(C)CCC=C(C)C 7a_100102619829_100000210202 [0,2,0,0,0,0|1,0,1]=4 8198 B10R0.3 CCOC(C)CCCC(=O)[O-] 7a_100000761597_100000210202 [0,2,0,0,0,0|1,0,0]=3 8199 B10R0.3 CCOC(C)CCCC(C)C 34a_200011218570_100000210202 [0,2,0,0,0,0|1,0,1]=4 8200 B10R0.3 CCOC(C)CCCC(C)C 7a_200011218570_100000210202 [0,2,0,0,0,0|1,0,1]=4 8201 B10R0.3 CN(CCF)CCCC(=O)O 269956a_100000719178_100011217306 [0,2,0,0,0,0|2,0,0]=4 8202 B10R0.3 CN(CCO)CCCC(=O)N 269982a_100000210263_100102525003 [0,2,0,0,0,0|2,0,0]=4 8203 B10R0.3 CN(CCO)CCCC(=O)O 269956a_100000719178_100000211926 [0,2,0,0,0,0|2,0,0]=4 8204 B10R0.3 CNCC(C)CCC=C(C)C 270004a_106832991635_100000033009 [0,2,0,0,0,0|1,0,1]=4 8205 B10R0.3 COCC(=O)CCCC(=O)C 1458a_100000210968_100011215641 [0,2,0,0,0,0|0,0,1]=3 8206 B10R0.3 COCC(=O)CCCC(=O)N 1458a_100000210968_100102525003 [0,2,0,0,0,0|1,0,1]=4 8207 B10R0.3 COCC(=O)CCNC(=O)C 1458a_100000210968_100000189650 [0,2,0,0,0,0|1,0,1]=4 8208 B10R0.3 COCC(=O)CCOC(=O)C 1458a_100000210968_100009814007 [0,2,0,0,0,0|1,0,1]=4 8209 B10R0.3 COCC(C)OCCC(=O)C 34a_100000759926_100000765312 [0,2,0,0,0,0|1,0,0]=3 8210 B10R0.3 COCC(C)OCCC(=O)C 7a_100000759926_100000765312 [0,2,0,0,0,0|1,0,0]=3 8211 B10R0.3 COCC(C)OCCC(=O)N 34a_100000757172_100000765312 [0,2,0,0,0,0|2,0,0]=4 8212 B10R0.3 COCC(C)OCCC(=O)N 7a_100000757172_100000765312 [0,2,0,0,0,0|2,0,0]=4 8213 B10R0.3 COCC(C)SCCC(=O)C 62a_100000053229_100000765312 [0,2,0,0,0,0|1,0,0]=3 8214 B10R0.3 COCC(C)SCCC(=O)C 62a_100000765312_100000053229 [0,2,0,0,0,0|1,0,0]=3 8215 B10R0.3 COCC(C)SCCC(=O)N 62a_100000744528_100000765312 [0,2,0,0,0,0|2,0,0]=4 8216 B10R0.3 COCC(C)SCCC(=O)N 62a_100000765312_100000744528 [0,2,0,0,0,0|2,0,0]=4 8217 B10R0.3 COCC(C)SCOC(=O)C 62a_100000076356_100000765312 [0,2,0,0,0,0|2,0,0]=4 8218 B10R0.3 COCC(C)SCOC(=O)C 62a_100000765312_100000076356 [0,2,0,0,0,0|2,0,0]=4 8219 B10R0.3 COCC(N)COCC(=O)N 34a_100000724102_100000187820 [0,2,0,0,0,0|2,0,0]=4 8220 B10R0.3 COCC(N)COCC(=O)[O-] 34a_100000724102_100020667443 [0,2,0,0,0,0|2,0,0]=4 8221 B10R0.3 COCC(O)CNCC(=O)N 2230a_100000756049_100000747473 [0,2,0,0,0,0|2,0,0]=4 8222 B10R0.3 COCC(O)CNCC(=O)N 34a_100000756049_100000187820 [0,2,0,0,0,0|2,0,0]=4 8223 B10R0.3 COCC(O)CNCC(=O)O 269956a_100016091260_100011215053 [0,2,0,0,0,0|2,0,0]=4 8224 B10R0.3 COCC(O)CNCC(=O)[O-] 34a_100000756049_100020667443 [0,2,0,0,0,0|2,0,0]=4 8225 B10R0.3 COCC(O)COCC(=O)C 34a_100000211253_100011215053 [0,2,0,0,0,0|1,0,0]=3 8226 B10R0.3 COCC(O)CSCC(=O)N 62a_100000747473_100011215053 [0,2,0,0,0,0|2,0,0]=4 8227 B10R0.3 COCC(O)CSCC(=O)N 62a_100011215053_100000747473 [0,2,0,0,0,0|2,0,0]=4 8228 B10R0.3 COCC(O)CSCC(=O)[O-] 62a_100011215053_100020667443 [0,2,0,0,0,0|2,0,0]=4 8229 B10R0.3 COCC(O)CSCC(=O)[O-] 62a_100020667443_100011215053 [0,2,0,0,0,0|2,0,0]=4 8230 B10R0.3 COCN(C)CCCC(=O)O 269956a_100000719178_100000766300 [0,2,0,0,0,0|2,0,0]=4 8231 B10R0.3 COC[C@@H](C)NCCC(=O)N 2230a_100000764878_100000744528 [0,2,0,0,0,0|2,0,0]=4 8232 B10R0.3 COC[C@@H](C)OCCC(=O)N 34a_100011934205_100000731001 [0,2,0,0,0,0|2,0,0]=4 8233 B10R0.3 COC[C@@H](C)OCOC(=O)C 34a_100011934205_100009813279 [0,2,0,0,0,0|2,0,0]=4 8234 B10R0.3 CSCC(=O)CCCC(=O)C 1458a_100000184570_100011215641 [0,2,0,0,0,0|0,0,1]=3 8235 B10R0.3 CSCC(=O)CCCC(=O)N 1458a_100000184570_100102525003 [0,2,0,0,0,0|1,0,1]=4 8236 B10R0.3 CSCC(=O)CCNC(=O)C 1458a_100000184570_100000189650 [0,2,0,0,0,0|1,0,1]=4 8237 B10R0.3 CSCC(=O)CCOC(=O)C 1458a_100000184570_100009814007 [0,2,0,0,0,0|1,0,1]=4 8238 B10R0.3 CSCC(O)CNNC(=O)C 22a_200000122717_100000070787 [0,2,0,0,0,0|2,0,0]=4 8239 B10R0.3 CSCN(C)CCCC(=O)O 269956a_100000719178_100011218213 [0,2,0,0,0,0|2,0,0]=4 8240 B10R0.3 C[C@H](CCO)NCCC(=O)N 2230a_100000706166_100000744528 [0,2,0,0,0,0|2,0,0]=4 8241 B10R0.3 C[C@H](CCO)NCCC(=O)N 34a_100000706166_100000731001 [0,2,0,0,0,0|2,0,0]=4 8242 B10R0.3 NC(=O)CCCC(=O)CCO 1458a_100011216618_100102525003 [0,2,0,0,0,0|1,0,1]=4 8243 B10R0.44 C=C(C)CC(=O)CC(C)CC 1458a_100000708755_100000748629 [0,2,0,0,0,0|1,0,1]=4 8244 B10R0.44 C=C(C)CC(=O)CC(O)CC 1458a_100011667805_100000748629 [0,2,0,0,0,0|1,0,1]=4 8245 B10R0.44 C=C(C)CN(C)CC(C)CC 2230a_100000225649_100000748023 [0,2,0,0,0,0|2,0,0]=4 8246 B10R0.44 C=C(C)CN(C)CC(C)CC 2230a_100000753921_100000748629 [0,2,0,0,0,0|2,0,0]=4 8247 B10R0.44 C=C(C)CN(C)CC(C)CC 269982a_100000225649_100000748023 [0,2,0,0,0,0|2,0,0]=4 8248 B10R0.44 C=C(C)CN(C)CC(C)CC 269982a_100000753921_100000748629 [0,2,0,0,0,0|2,0,0]=4 8249 B10R0.44 C=C(C)CN(C)CC(C)CC 270004a_100000225649_100000243153 [0,2,0,0,0,0|2,0,0]=4 8250 B10R0.44 C=C(C)CN(C)CC(O)CC 2230a_100000225649_100011218378 [0,2,0,0,0,0|2,0,0]=4 8251 B10R0.44 C=C(C)CN(C)CC(O)CC 269982a_100000225649_100011218378 [0,2,0,0,0,0|2,0,0]=4 8252 B10R0.44 C=C(C)CN(C)C[C@@H](C)CC 2230a_100000225649_100009816398 [0,2,0,0,0,0|2,0,0]=4 8253 B10R0.44 C=C(C)CN(C)C[C@@H](C)CC 269982a_100000225649_100009816398 [0,2,0,0,0,0|2,0,0]=4 8254 B10R0.44 CCC(C)CC(=O)CC(=O)N 1458a_100000708755_100000187820 [0,2,0,0,0,0|1,0,1]=4 8255 B10R0.44 CCC(C)CC(=O)CC(=O)N 1458a_100134613110_100000748023 [0,2,0,0,0,0|1,0,1]=4 8256 B10R0.44 CCC(C)CC(=O)CC(=O)[O-] 1458a_100000708755_100020667443 [0,2,0,0,0,0|1,0,1]=4 8257 B10R0.44 CCC(C)CC(C)NC(=O)C 11a_100000763565_100015343762 [0,2,0,0,0,0|1,0,0]=3 8258 B10R0.44 CCC(C)CC(C)NC(=O)C 1626a_100000763565_100015343762 [0,2,0,0,0,0|1,0,0]=3 8259 B10R0.44 CCC(C)CC(C)NC(=O)C 240690a_100000763565_100015343762 [0,2,0,0,0,0|1,0,0]=3 8260 B10R0.44 CCC(C)CC(C)NC(=O)C 527a_100000763565_100103153847 [0,2,0,0,0,0|1,0,0]=3 8261 B10R0.44 CCC(C)CN(C)CC(=O)N 2230a_100000739694_100000748023 [0,2,0,0,0,0|2,0,0]=4 8262 B10R0.44 CCC(C)CN(C)CC(=O)N 2230a_100000753921_100000747473 [0,2,0,0,0,0|2,0,0]=4 8263 B10R0.44 CCC(C)CN(C)CC(=O)N 269982a_100000753921_100000187820 [0,2,0,0,0,0|2,0,0]=4 8264 B10R0.44 CCC(C)CN(C)CC(=O)N 270004a_100000739694_100000243153 [0,2,0,0,0,0|2,0,0]=4 8265 B10R0.44 CCC(C)CN(C)CC(=O)O 269956a_100000746989_100000748023 [0,2,0,0,0,0|2,0,0]=4 8266 B10R0.44 CCC(C)CN(C)CC(=O)[O-] 269982a_100000753921_100020667443 [0,2,0,0,0,0|2,0,0]=4 8267 B10R0.44 CCC(C)NC(=O)CC(=O)C 1458a_100000070787_100000182745 [0,2,0,0,0,0|1,0,1]=4 8268 B10R0.44 CCC(C)SC(C)OC(=O)C 62a_100000758301_100009818208 [0,2,0,0,0,0|2,0,0]=4 8269 B10R0.44 CCC(C)SC(C)OC(=O)C 62a_100009818208_100000758301 [0,2,0,0,0,0|2,0,0]=4 8270 B10R0.44 CCC(O)CC(=O)CC(=O)N 1458a_100011667805_100000187820 [0,2,0,0,0,0|1,0,1]=4 8271 B10R0.44 CCC(O)CC(=O)CC(=O)N 1458a_100134613110_100011218378 [0,2,0,0,0,0|1,0,1]=4 8272 B10R0.44 CCC(O)CC(=O)CC(=O)[O-] 1458a_100011667805_100020667443 [0,2,0,0,0,0|1,0,1]=4 8273 B10R0.44 CCC(O)CN(C)CC(=O)N 2230a_100000739694_100011218378 [0,2,0,0,0,0|2,0,0]=4 8274 B10R0.44 CCC(O)CN(C)CC(=O)O 269956a_100000746989_100011218378 [0,2,0,0,0,0|2,0,0]=4 8275 B10R0.44 CC[C@H](C)CC(=O)CC(=O)N 1458a_100134613110_100009816398 [0,2,0,0,0,0|1,0,1]=4 8276 B10R0.44 CC[C@H](C)CN(C)CC(=O)N 2230a_100000739694_100009816398 [0,2,0,0,0,0|2,0,0]=4 8277 B10R0.44 CC[C@H](C)CN(C)CC(=O)O 269956a_100000746989_100009816398 [0,2,0,0,0,0|2,0,0]=4 8278 B10R0.44 COC(=O)CC(C)CC(=O)C 1458a_100000732146_200000210301 [0,2,0,0,0,0|1,0,1]=4 8279 B10R0.44 COC(=O)CC(C)CC(=O)[13CH3] 1458a_100000732146_200025704644 [0,2,0,0,0,0|1,0,1]=4 8280 B10R0.57 C=C(C)CCC(=O)C(C)CC 1458a_100011192722_100000730704 [0,2,0,0,0,0|1,0,1]=4 8281 B10R0.57 C=C(C)CCC(=O)C(C)CC 1458a_200000688413_100000758301 [0,2,0,0,0,0|1,0,1]=4 8282 B10R0.57 C=C(C)CCC(=O)C(O)CC 1458a_100011196387_100000730704 [0,2,0,0,0,0|1,0,1]=4 8283 B10R0.57 C=C(C)CCN(C)C(C)CC 2230a_100000741768_100000730704 [0,2,0,0,0,0|2,0,0]=4 8284 B10R0.57 C=C(C)CCN(C)C(C)CC 269982a_100000741768_100000730704 [0,2,0,0,0,0|2,0,0]=4 8285 B10R0.57 C=C(C)COC(C)C(C)CC 7a_100011215189_100000748629 [0,2,0,0,0,0|2,0,0]=4 8286 B10R0.57 CC(=O)CCN(C)C(C)CO 269982a_100000693034_100000053229 [0,2,0,0,0,0|2,0,0]=4 8287 B10R0.57 CCC(=O)[C@H](C)CSC(=O)C 1458a_200015407212_100000210202 [0,2,0,0,0,0|1,0,1]=4 8288 B10R0.57 CCC(C)C(=O)CCC(=O)N 1458a_100011215257_100000758301 [0,2,0,0,0,0|1,0,1]=4 8289 B10R0.57 CCC(C)C(=O)CNC(=O)C 1458a_100000194580_100000758301 [0,2,0,0,0,0|1,0,1]=4 8290 B10R0.57 CCC(C)C(=O)COC(=O)C 1458a_100000183556_100000758301 [0,2,0,0,0,0|1,0,1]=4 8291 B10R0.57 CCC(C)C(=O)CSC(=O)C 1458a_100000049016_100000758301 [0,2,0,0,0,0|1,0,1]=4 8292 B10R0.57 CCC(C)C(=O)NCC(=O)C 1458a_100000743532_200000210301 [0,2,0,0,0,0|1,0,1]=4 8293 B10R0.57 CCC(C)C(=O)NCC(=O)[13CH3] 1458a_100000743532_200025704644 [0,2,0,0,0,0|1,0,1]=4 8294 B10R0.57 CCC(C)C(C)OCC(=O)N 7a_100011215189_100000187820 [0,2,0,0,0,0|2,0,0]=4 8295 B10R0.57 CCC(C)N(C)CCC(=O)C 269982a_100000741768_100000053229 [0,2,0,0,0,0|1,0,0]=3 8296 B10R0.57 CCC(C)N(C)CCC(=O)N 2230a_100000730477_100000758301 [0,2,0,0,0,0|2,0,0]=4 8297 B10R0.57 CCC(C)N(C)CCC(=O)N 2230a_100000741768_100000744528 [0,2,0,0,0,0|2,0,0]=4 8298 B10R0.57 CCC(C)N(C)CCC(=O)N 269982a_100000741768_100000744528 [0,2,0,0,0,0|2,0,0]=4 8299 B10R0.57 CCC(C)N(C)COC(=O)C 269982a_100000741768_100000076356 [0,2,0,0,0,0|2,0,0]=4 8300 B10R0.57 COC(=O)C(C)CCC(=O)C 1458a_100000070787_100000034942 [0,2,0,0,0,0|1,0,1]=4 8301 B10R0.59 C#CC(=O)CCCN(C)CC 1458a_100000211873_100015186262 [0,2,0,0,0,0|1,0,1]=4 8302 B10R0.59 C=CC(=O)CCCN(C)CC 1458a_100000185746_100015186262 [0,2,0,0,0,0|1,0,1]=4 8303 B10R0.59 C=CC(=O)NCCC(C)CC 1626a_100020591266_100000185746 [0,2,0,0,0,0|1,0,1]=4 8304 B10R0.59 C=CC(=O)NCCC(C)CC 240690a_100020591266_200121576911 [0,2,0,0,0,0|1,0,1]=4 8305 B10R0.59 CC(CO)CCNC(=O)CO 240690a_106354213184_100000210174 [0,2,0,0,0,0|2,0,0]=4 8306 B10R0.59 CC(CO)CCNC(=O)CO 527a_106354213184_100000210174 [0,2,0,0,0,0|2,0,0]=4 8307 B10R0.59 CCC(=O)CCCC(=O)NC 1458a_100000210414_100000741757 [0,2,0,0,0,0|0,0,1]=3 8308 B10R0.59 CCC(=O)CCCC(=O)OC 1458a_100000210414_100011218270 [0,2,0,0,0,0|0,0,1]=3 8309 B10R0.59 CCC(=O)CCCC(=O)OC 1458a_100000239890_100000210202 [0,2,0,0,0,0|0,0,1]=3 8310 B10R0.59 CCC(=O)CCCN(C)CC 1458a_100000210414_100015186262 [0,2,0,0,0,0|1,0,0]=3 8311 B10R0.59 CCC(=O)CCCN(C)N=O 1458a_200000076914_100000210202 [0,2,0,0,0,0|1,0,1]=4 8312 B10R0.59 CCC(=O)CCOC(=O)NC 1458a_100000210414_200011997002 [0,2,0,0,0,0|1,0,1]=4 8313 B10R0.59 CCC(=O)COCC(=O)NC 34a_100000725409_100000183359 [0,2,0,0,0,0|1,0,1]=4 8314 B10R0.59 CCC(=O)COCC(=O)OC 34a_100000725409_100000747449 [0,2,0,0,0,0|1,0,1]=4 8315 B10R0.59 CCC(=O)COCC(C)CC 34a_100000725409_100000748023 [0,2,0,0,0,0|1,0,0]=3 8316 B10R0.59 CCC(=O)COCC(O)CC 34a_100000725409_100011218378 [0,2,0,0,0,0|1,0,0]=3 8317 B10R0.59 CCC(=O)COCC(O)CO 34a_100000725409_100011219619 [0,2,0,0,0,0|2,0,0]=4 8318 B10R0.59 CCC(=O)COC[C@@H](C)CC 34a_100000725409_100009816398 [0,2,0,0,0,0|1,0,0]=3 8319 B10R0.59 CCC(=O)COC[C@@H](C)CC 7a_100009816381_100000747405 [0,2,0,0,0,0|1,0,0]=3 8320 B10R0.59 CCC(=O)COC[C@@H](C)CO 34a_100000725409_100000059175 [0,2,0,0,0,0|2,0,0]=4 8321 B10R0.59 CCC(=O)COC[C@@H](O)CF 34a_100000725409_100015614560 [0,2,0,0,0,0|2,0,0]=4 8322 B10R0.59 CCC(=O)COC[C@@H](O)CO 34a_100000725409_100009815848 [0,2,0,0,0,0|2,0,0]=4 8323 B10R0.59 CCC(=O)CSCC(=O)CC 62a_100000747405_100000747405 [0,2,0,0,0,0|1,0,1]=4 8324 B10R0.59 CCC(=O)CSCC(=O)NC 62a_100000183359_100000747405 [0,2,0,0,0,0|1,0,1]=4 8325 B10R0.59 CCC(=O)CSCC(=O)NC 62a_100000747405_100000183359 [0,2,0,0,0,0|1,0,1]=4 8326 B10R0.59 CCC(=O)CSCC(=O)OC 1458a_100000191316_100000210202 [0,2,0,0,0,0|1,0,1]=4 8327 B10R0.59 CCC(=O)CSCC(=O)OC 62a_100000747405_100000747449 [0,2,0,0,0,0|1,0,1]=4 8328 B10R0.59 CCC(=O)CSCC(=O)OC 62a_100000747449_100000747405 [0,2,0,0,0,0|1,0,1]=4 8329 B10R0.59 CCC(=O)CSCC(C)CC 62a_100000747405_100000748023 [0,2,0,0,0,0|1,0,0]=3 8330 B10R0.59 CCC(=O)CSCC(C)CC 62a_100000748023_100000747405 [0,2,0,0,0,0|1,0,0]=3 8331 B10R0.59 CCC(=O)CSCC(O)CC 62a_100000747405_100011218378 [0,2,0,0,0,0|1,0,0]=3 8332 B10R0.59 CCC(=O)CSCC(O)CC 62a_100011218378_100000747405 [0,2,0,0,0,0|1,0,0]=3 8333 B10R0.59 CCC(=O)CSCC(O)CO 62a_100000747405_100011219619 [0,2,0,0,0,0|2,0,0]=4 8334 B10R0.59 CCC(=O)CSCC(O)CO 62a_100011219619_100000747405 [0,2,0,0,0,0|2,0,0]=4 8335 B10R0.59 CCC(=O)CSC[C@@H](C)CC 62a_100000747405_100009816398 [0,2,0,0,0,0|1,0,0]=3 8336 B10R0.59 CCC(=O)CSC[C@@H](C)CC 62a_100009816398_100000747405 [0,2,0,0,0,0|1,0,0]=3 8337 B10R0.59 CCC(=O)CSC[C@@H](C)CO 62a_100000059175_100000747405 [0,2,0,0,0,0|2,0,0]=4 8338 B10R0.59 CCC(=O)CSC[C@@H](C)CO 62a_100000747405_100000059175 [0,2,0,0,0,0|2,0,0]=4 8339 B10R0.59 CCC(=O)CSC[C@@H](O)CF 62a_100000747405_100015614560 [0,2,0,0,0,0|2,0,0]=4 8340 B10R0.59 CCC(=O)CSC[C@@H](O)CF 62a_100015614560_100000747405 [0,2,0,0,0,0|2,0,0]=4 8341 B10R0.59 CCC(=O)CSC[C@@H](O)CO 62a_100000747405_100009815848 [0,2,0,0,0,0|2,0,0]=4 8342 B10R0.59 CCC(=O)CSC[C@@H](O)CO 62a_100009815848_100000747405 [0,2,0,0,0,0|2,0,0]=4 8343 B10R0.59 CCC(=O)NCCC(=O)NC 11a_100000738227_100000210414 [0,2,0,0,0,0|1,0,1]=4 8344 B10R0.59 CCC(=O)NCCC(=O)NC 240690a_100000738227_100000210414 [0,2,0,0,0,0|1,0,1]=4 8345 B10R0.59 CCC(=O)NCCC(=O)NC 527a_100000738227_100000210414 [0,2,0,0,0,0|1,0,1]=4 8346 B10R0.59 CCC(=O)NCCC(=O)OC 188690a_100000683876_100000210414 [0,2,0,0,0,0|1,0,1]=4 8347 B10R0.59 CCC(=O)NCCC(C)CC 11a_100020591266_100000210414 [0,2,0,0,0,0|1,0,0]=3 8348 B10R0.59 CCC(=O)NCCC(C)CC 1626a_100020591266_100000210414 [0,2,0,0,0,0|1,0,0]=3 8349 B10R0.59 CCC(=O)NCCC(C)CC 240690a_100020591266_100000210414 [0,2,0,0,0,0|1,0,0]=3 8350 B10R0.59 CCC(=O)NCCC(C)CC 527a_100020591266_100000210414 [0,2,0,0,0,0|1,0,0]=3 8351 B10R0.59 CCC(=O)NCCC(C)CO 240690a_106354213184_100000210414 [0,2,0,0,0,0|2,0,0]=4 8352 B10R0.59 CCC(=O)NCCC(C)CO 527a_106354213184_100000210414 [0,2,0,0,0,0|2,0,0]=4 8353 B10R0.59 CCC(=O)NNCC(O)CC 22a_100015206393_100000210414 [0,2,0,0,0,0|2,0,0]=4 8354 B10R0.59 CCC(C)CCNC(=O)CO 240690a_100020591266_100000210174 [0,2,0,0,0,0|1,0,0]=3 8355 B10R0.59 CCC(C)CCNC(=O)CO 527a_100020591266_100000210174 [0,2,0,0,0,0|1,0,0]=3 8356 B10R0.59 CCC(C)CCNC(=O)NC 2708a_100020591266_106832991635 [0,2,0,0,0,0|1,0,0]=3 8357 B10R0.59 CCC(C)CCNC(=O)NC 2708a_100102657272_100020591266 [0,2,0,0,0,0|1,0,0]=3 8358 B10R0.59 CCC(C)CCNC(=O)NC 273464a_100020591266_100102657272 [0,2,0,0,0,0|1,0,0]=3 8359 B10R0.59 CCC(C)CCNC(=O)NC 273464a_100102657272_100020591266 [0,2,0,0,0,0|1,0,0]=3 8360 B10R0.59 CCC(C)CCNC(=O)NC 512a_100020591266_100102657272 [0,2,0,0,0,0|1,0,0]=3 8361 B10R0.59 CCC(C)CCNC(=O)NC 512a_106832991638_100020591266 [0,2,0,0,0,0|1,0,0]=3 8362 B10R0.59 CCC(C)CNCC(=O)NC 2230a_100000693194_100000748023 [0,2,0,0,0,0|1,0,0]=3 8363 B10R0.59 CCC(C)CNCC(=O)NC 2230a_100020588543_100000183359 [0,2,0,0,0,0|1,0,0]=3 8364 B10R0.59 CCC(C)CNCC(=O)NC 270004a_100000693194_100000243153 [0,2,0,0,0,0|1,0,0]=3 8365 B10R0.59 CCC(C)CNCC(=O)OC 2230a_100020588543_100000747449 [0,2,0,0,0,0|1,0,0]=3 8366 B10R0.59 CCC(C)COCC(=O)NC 34a_100000750040_100000748023 [0,2,0,0,0,0|1,0,0]=3 8367 B10R0.59 CCC(C)CSCC(=O)NC 62a_100000183359_100000748023 [0,2,0,0,0,0|1,0,0]=3 8368 B10R0.59 CCC(C)CSCC(=O)NC 62a_100000748023_100000183359 [0,2,0,0,0,0|1,0,0]=3 8369 B10R0.59 CCC(C)CSCC(=O)OC 62a_100000747449_100000748023 [0,2,0,0,0,0|1,0,0]=3 8370 B10R0.59 CCC(C)CSCC(=O)OC 62a_100000748023_100000747449 [0,2,0,0,0,0|1,0,0]=3 8371 B10R0.59 CCC(C)NCCC(=O)NC 2230a_100000209981_100000737683 [0,2,0,0,0,0|1,0,0]=3 8372 B10R0.59 CCC(C)NCCC(=O)NC 2230a_100000738227_100000758301 [0,2,0,0,0,0|1,0,0]=3 8373 B10R0.59 CCC(C)NCCC(=O)NC 34a_100000738227_100011215416 [0,2,0,0,0,0|1,0,0]=3 8374 B10R0.59 CCC(C)NCCC(=O)OC 2230a_100000209981_100000204255 [0,2,0,0,0,0|1,0,0]=3 8375 B10R0.59 CCC(C)OCCC(=O)NC 34a_100000754576_100011215416 [0,2,0,0,0,0|1,0,0]=3 8376 B10R0.59 CCC(C)OCCC(=O)NC 7a_100000210228_100000737683 [0,2,0,0,0,0|1,0,0]=3 8377 B10R0.59 CCC(C)OCCC(=O)OC 7a_100000210228_100000204255 [0,2,0,0,0,0|1,0,0]=3 8378 B10R0.59 CCC(C)SCCC(=O)NC 62a_100000737683_100000758301 [0,2,0,0,0,0|1,0,0]=3 8379 B10R0.59 CCC(C)SCCC(=O)NC 62a_100000758301_100000737683 [0,2,0,0,0,0|1,0,0]=3 8380 B10R0.59 CCC(C)SCCC(=O)OC 62a_100000204255_100000758301 [0,2,0,0,0,0|1,0,0]=3 8381 B10R0.59 CCC(C)SCCC(=O)OC 62a_100000758301_100000204255 [0,2,0,0,0,0|1,0,0]=3 8382 B10R0.59 CCC(C)SCOC(=O)OC 62a_100000758301_100000139417 [0,2,0,0,0,0|2,0,0]=4 8383 B10R0.59 CCC(O)CNCC(=O)NC 2230a_100000693194_100011218378 [0,2,0,0,0,0|1,0,0]=3 8384 B10R0.59 CCC(O)CNCC(=O)NC 2230a_100011218483_100000183359 [0,2,0,0,0,0|1,0,0]=3 8385 B10R0.59 CCC(O)CNCC(=O)OC 2230a_100011218483_100000747449 [0,2,0,0,0,0|1,0,0]=3 8386 B10R0.59 CCC(O)CNNC(=O)CO 22a_100015206393_100000210174 [0,2,0,0,0,0|2,0,0]=4 8387 B10R0.59 CCC(O)CNNC(=O)NC 273464a_100102657272_100015206393 [0,2,0,0,0,0|2,0,0]=4 8388 B10R0.59 CCC(O)CNNC(=O)NC 512a_100015206393_100102657272 [0,2,0,0,0,0|2,0,0]=4 8389 B10R0.59 CCC(O)CNNC(=O)NC 512a_106832991638_100015206393 [0,2,0,0,0,0|2,0,0]=4 8390 B10R0.59 CCC(O)COCC(=O)NC 34a_100000750040_100011218378 [0,2,0,0,0,0|1,0,0]=3 8391 B10R0.59 CCC(O)CSCC(=O)NC 62a_100000183359_100011218378 [0,2,0,0,0,0|1,0,0]=3 8392 B10R0.59 CCC(O)CSCC(=O)NC 62a_100011218378_100000183359 [0,2,0,0,0,0|1,0,0]=3 8393 B10R0.59 CCC(O)CSCC(=O)OC 62a_100000747449_100011218378 [0,2,0,0,0,0|1,0,0]=3 8394 B10R0.59 CCC(O)CSCC(=O)OC 62a_100011218378_100000747449 [0,2,0,0,0,0|1,0,0]=3 8395 B10R0.59 CCN(C)CCCC(=O)CO 1458a_100000210174_100015186262 [0,2,0,0,0,0|1,0,0]=3 8396 B10R0.59 CCN(C)CCCC(=O)NC 2230a_100000225621_100000741757 [0,2,0,0,0,0|1,0,0]=3 8397 B10R0.59 CCN(C)CCCC(=O)NC 269982a_100000225621_100000741757 [0,2,0,0,0,0|1,0,0]=3 8398 B10R0.59 CCN(C)CCCC(=O)OC 2230a_100000225621_100011218270 [0,2,0,0,0,0|1,0,0]=3 8399 B10R0.59 CCN(C)CCCC(=O)OC 269982a_100000225621_100011218270 [0,2,0,0,0,0|1,0,0]=3 8400 B10R0.59 CCN(C)CCCC(=O)OC 269982a_100000739225_100000204670 [0,2,0,0,0,0|1,0,0]=3 8401 B10R0.59 CCN(C)CCOC(=O)NC 269982a_100000225621_200011997002 [0,2,0,0,0,0|2,0,0]=4 8402 B10R0.59 CC[C@H](C)CNCC(=O)NC 2230a_100000693194_100009816398 [0,2,0,0,0,0|1,0,0]=3 8403 B10R0.59 CC[C@H](C)COCC(=O)NC 34a_100000750040_100009816398 [0,2,0,0,0,0|1,0,0]=3 8404 B10R0.59 CC[C@H](C)COCC(=O)NC 7a_100009816381_100000183359 [0,2,0,0,0,0|1,0,0]=3 8405 B10R0.59 CC[C@H](C)COCC(=O)OC 7a_100009816381_100000747449 [0,2,0,0,0,0|1,0,0]=3 8406 B10R0.59 CC[C@H](C)CSCC(=O)NC 62a_100000183359_100009816398 [0,2,0,0,0,0|1,0,0]=3 8407 B10R0.59 CC[C@H](C)CSCC(=O)NC 62a_100009816398_100000183359 [0,2,0,0,0,0|1,0,0]=3 8408 B10R0.59 CC[C@H](C)CSCC(=O)OC 62a_100000747449_100009816398 [0,2,0,0,0,0|1,0,0]=3 8409 B10R0.59 CC[C@H](C)CSCC(=O)OC 62a_100009816398_100000747449 [0,2,0,0,0,0|1,0,0]=3 8410 B10R0.59 CNC(=O)CCCC(=O)CO 1458a_100000210174_100000741757 [0,2,0,0,0,0|1,0,1]=4 8411 B10R0.59 CNC(=O)CCCC(=O)OC 11a_106832991635_100000239890 [0,2,0,0,0,0|1,0,1]=4 8412 B10R0.59 CNC(=O)CCCC(=O)OC 1626a_100102657272_100000239890 [0,2,0,0,0,0|1,0,1]=4 8413 B10R0.59 CNC(=O)CCCC(=O)OC 240690a_100102657272_100000239890 [0,2,0,0,0,0|1,0,1]=4 8414 B10R0.59 CNC(=O)CCCC(=O)OC 527a_100102657272_100000239890 [0,2,0,0,0,0|1,0,1]=4 8415 B10R0.59 CNC(=O)CCNC(C)CO 2230a_100000738227_100012180447 [0,2,0,0,0,0|2,0,0]=4 8416 B10R0.59 CNC(=O)CCNC(C)CO 34a_100000738227_100012180447 [0,2,0,0,0,0|2,0,0]=4 8417 B10R0.59 CNC(=O)CCN[C@H](C)CO 2230a_100000737577_100000737683 [0,2,0,0,0,0|2,0,0]=4 8418 B10R0.59 CNC(=O)CCOC(C)CF 34a_100016041109_100012179268 [0,2,0,0,0,0|2,0,0]=4 8419 B10R0.59 CNC(=O)CCOC(C)CF 7a_100016041109_100000737683 [0,2,0,0,0,0|2,0,0]=4 8420 B10R0.59 CNC(=O)CCOC(C)CN 34a_100000210904_100012179268 [0,2,0,0,0,0|2,0,0]=4 8421 B10R0.59 CNC(=O)CCOC(C)CO 34a_100000754576_100012180447 [0,2,0,0,0,0|2,0,0]=4 8422 B10R0.59 CNC(=O)CCSC(C)CO 62a_100012180447_100000737683 [0,2,0,0,0,0|2,0,0]=4 8423 B10R0.59 CNC(=O)CCSC(C)OC 62a_100000737683_100009879195 [0,2,0,0,0,0|2,0,0]=4 8424 B10R0.59 CNC(=O)CCSC(C)OC 62a_100009879195_100000737683 [0,2,0,0,0,0|2,0,0]=4 8425 B10R0.59 CNC(=O)CCS[C@H](C)CO 62a_100000737683_100016084084 [0,2,0,0,0,0|2,0,0]=4 8426 B10R0.59 CNC(=O)CCS[C@H](C)CO 62a_100016084084_100000737683 [0,2,0,0,0,0|2,0,0]=4 8427 B10R0.59 CNC(=O)CNCC(C)CO 34a_100000744482_100000183359 [0,2,0,0,0,0|2,0,0]=4 8428 B10R0.59 CNC(=O)CNCC(O)CO 2230a_100000693194_100011219619 [0,2,0,0,0,0|2,0,0]=4 8429 B10R0.59 CNC(=O)CNC[C@@H](C)CO 2230a_100000693194_100000059175 [0,2,0,0,0,0|2,0,0]=4 8430 B10R0.59 CNC(=O)CNC[C@@H](C)OC 2230a_100020591295_100000183359 [0,2,0,0,0,0|2,0,0]=4 8431 B10R0.59 CNC(=O)CNC[C@@H](F)CO 34a_100015665980_100000183359 [0,2,0,0,0,0|2,0,0]=4 8432 B10R0.59 CNC(=O)CNC[C@@H](O)CF 2230a_100000693194_100015614560 [0,2,0,0,0,0|2,0,0]=4 8433 B10R0.59 CNC(=O)CNC[C@@H](O)CO 2230a_100000693194_100009815848 [0,2,0,0,0,0|2,0,0]=4 8434 B10R0.59 CNC(=O)CNC[C@H](O)CO 2230a_100020644852_100000183359 [0,2,0,0,0,0|2,0,0]=4 8435 B10R0.59 CNC(=O)COCC(C)CN 34a_100000744482_100000183359 [0,2,0,0,0,0|2,0,0]=4 8436 B10R0.59 CNC(=O)COCC(C)OC 34a_100000690652_100000183359 [0,2,0,0,0,0|2,0,0]=4 8437 B10R0.59 CNC(=O)COCC(Cl)CCl 34a_100000033668_100000183359 [0,2,0,0,0,0|2,0,0]=4 8438 B10R0.59 CNC(=O)COCC(O)CO 34a_100000750040_100011219619 [0,2,0,0,0,0|2,0,0]=4 8439 B10R0.59 CNC(=O)COC[C@@H](C)CO 34a_100000750040_100000059175 [0,2,0,0,0,0|2,0,0]=4 8440 B10R0.59 CNC(=O)COC[C@@H](O)CF 34a_100000750040_100015614560 [0,2,0,0,0,0|2,0,0]=4 8441 B10R0.59 CNC(=O)COC[C@@H](O)CO 34a_100000750040_100009815848 [0,2,0,0,0,0|2,0,0]=4 8442 B10R0.59 CNC(=O)COC[C@H](F)CN 34a_100015665980_100000183359 [0,2,0,0,0,0|2,0,0]=4 8443 B10R0.59 CNC(=O)CSCC(O)CO 62a_100000183359_100011219619 [0,2,0,0,0,0|2,0,0]=4 8444 B10R0.59 CNC(=O)CSCC(O)CO 62a_100011219619_100000183359 [0,2,0,0,0,0|2,0,0]=4 8445 B10R0.59 CNC(=O)CSC[C@@H](C)CO 62a_100000059175_100000183359 [0,2,0,0,0,0|2,0,0]=4 8446 B10R0.59 CNC(=O)CSC[C@@H](C)CO 62a_100000183359_100000059175 [0,2,0,0,0,0|2,0,0]=4 8447 B10R0.59 CNC(=O)CSC[C@@H](O)CF 62a_100000183359_100015614560 [0,2,0,0,0,0|2,0,0]=4 8448 B10R0.59 CNC(=O)CSC[C@@H](O)CF 62a_100015614560_100000183359 [0,2,0,0,0,0|2,0,0]=4 8449 B10R0.59 CNC(=O)CSC[C@@H](O)CO 62a_100000183359_100009815848 [0,2,0,0,0,0|2,0,0]=4 8450 B10R0.59 CNC(=O)CSC[C@@H](O)CO 62a_100009815848_100000183359 [0,2,0,0,0,0|2,0,0]=4 8451 B10R0.59 CNC(=O)NCCC(C)CO 2708a_100102657272_106354213184 [0,2,0,0,0,0|2,0,0]=4 8452 B10R0.59 CNC(=O)NCCC(C)CO 273464a_100102657272_106354213184 [0,2,0,0,0,0|2,0,0]=4 8453 B10R0.59 CNC(=O)NCCC(C)CO 273464a_106354213184_100102657272 [0,2,0,0,0,0|2,0,0]=4 8454 B10R0.59 CNC(=O)NCCC(C)CO 512a_106354213184_100102657272 [0,2,0,0,0,0|2,0,0]=4 8455 B10R0.59 CNC(=O)NCCC(C)CO 512a_106832991638_106354213184 [0,2,0,0,0,0|2,0,0]=4 8456 B10R0.59 COC(=O)CCCC(=O)CF 1458a_100000239890_100015361967 [0,2,0,0,0,0|1,0,1]=4 8457 B10R0.59 COC(=O)CCCC(=O)CO 1458a_100000210174_100011218270 [0,2,0,0,0,0|1,0,1]=4 8458 B10R0.59 COC(=O)CCCN(C)CF 269982a_100000739225_100015361967 [0,2,0,0,0,0|2,0,0]=4 8459 B10R0.59 COC(=O)CCN[C@H](C)CO 2230a_100000737577_100000204255 [0,2,0,0,0,0|2,0,0]=4 8460 B10R0.59 COC(=O)CCOC(C)CF 34a_100016041109_100000742370 [0,2,0,0,0,0|2,0,0]=4 8461 B10R0.59 COC(=O)CCOC(C)CF 7a_100016041109_100000204255 [0,2,0,0,0,0|2,0,0]=4 8462 B10R0.59 COC(=O)CCOC(C)CN 34a_100000210904_100000742370 [0,2,0,0,0,0|2,0,0]=4 8463 B10R0.59 COC(=O)CCSC(C)CO 62a_100012180447_100000204255 [0,2,0,0,0,0|2,0,0]=4 8464 B10R0.59 COC(=O)CCSC(C)OC 62a_100000204255_100009879195 [0,2,0,0,0,0|2,0,0]=4 8465 B10R0.59 COC(=O)CCSC(C)OC 62a_100009879195_100000204255 [0,2,0,0,0,0|2,0,0]=4 8466 B10R0.59 COC(=O)CCS[C@H](C)CO 62a_100000204255_100016084084 [0,2,0,0,0,0|2,0,0]=4 8467 B10R0.59 COC(=O)CCS[C@H](C)CO 62a_100016084084_100000204255 [0,2,0,0,0,0|2,0,0]=4 8468 B10R0.59 COC(=O)CNCC(C)CO 34a_100000744482_100000747449 [0,2,0,0,0,0|2,0,0]=4 8469 B10R0.59 COC(=O)CNC[C@@H](C)OC 2230a_100020591295_100000747449 [0,2,0,0,0,0|2,0,0]=4 8470 B10R0.59 COC(=O)CNC[C@@H](F)CO 34a_100015665980_100000747449 [0,2,0,0,0,0|2,0,0]=4 8471 B10R0.59 COC(=O)CNC[C@H](O)CO 2230a_100020644852_100000747449 [0,2,0,0,0,0|2,0,0]=4 8472 B10R0.59 COC(=O)COCC(C)CN 34a_100000744482_100000747449 [0,2,0,0,0,0|2,0,0]=4 8473 B10R0.59 COC(=O)COCC(C)OC 34a_100000690652_100000747449 [0,2,0,0,0,0|2,0,0]=4 8474 B10R0.59 COC(=O)COCC(Cl)CCl 34a_100000033668_100000747449 [0,2,0,0,0,0|2,0,0]=4 8475 B10R0.59 COC(=O)COC[C@H](F)CN 34a_100015665980_100000747449 [0,2,0,0,0,0|2,0,0]=4 8476 B10R0.59 COC(=O)CSCC(O)CO 62a_100000747449_100011219619 [0,2,0,0,0,0|2,0,0]=4 8477 B10R0.59 COC(=O)CSCC(O)CO 62a_100011219619_100000747449 [0,2,0,0,0,0|2,0,0]=4 8478 B10R0.59 COC(=O)CSC[C@@H](C)CO 62a_100000059175_100000747449 [0,2,0,0,0,0|2,0,0]=4 8479 B10R0.59 COC(=O)CSC[C@@H](C)CO 62a_100000747449_100000059175 [0,2,0,0,0,0|2,0,0]=4 8480 B10R0.59 COC(=O)CSC[C@@H](O)CF 62a_100000747449_100015614560 [0,2,0,0,0,0|2,0,0]=4 8481 B10R0.59 COC(=O)CSC[C@@H](O)CF 62a_100015614560_100000747449 [0,2,0,0,0,0|2,0,0]=4 8482 B10R0.59 COC(=O)CSC[C@@H](O)CO 62a_100000747449_100009815848 [0,2,0,0,0,0|2,0,0]=4 8483 B10R0.59 COC(=O)CSC[C@@H](O)CO 62a_100009815848_100000747449 [0,2,0,0,0,0|2,0,0]=4 8484 B10R0.60 CCC(=O)CCCS(=O)(=O)C 1458a_100000210414_100000754308 [0,2,0,0,0,0|1,0,1]=4 8485 B10R0.60 CCC(C)CCNS(=O)(=O)C 40a_100020591266_100000738038 [0,2,0,0,0,0|2,0,0]=4 8486 B10R0.60 CCC(C)NCCS(=O)(=O)C 2230a_100000209981_100000731031 [0,2,0,0,0,0|2,0,0]=4 8487 B10R0.60 CCC(C)NCCS(=O)(=O)C 2230a_100000740961_100000758301 [0,2,0,0,0,0|2,0,0]=4 8488 B10R0.60 CCC(C)NCCS(=O)(=O)C 34a_100000740961_100011215416 [0,2,0,0,0,0|2,0,0]=4 8489 B10R0.60 CCC(C)OCCS(=O)(=O)C 34a_100000211924_100011215416 [0,2,0,0,0,0|2,0,0]=4 8490 B10R0.60 CCC(C)OCCS(=O)(=O)C 7a_100000210228_100000230027 [0,2,0,0,0,0|2,0,0]=4 8491 B10R0.60 CCC(C)OCCS(=O)(=O)C 7a_100000211924_100000758301 [0,2,0,0,0,0|2,0,0]=4 8492 B10R0.60 CCC(C)SCCS(=O)(=O)C 62a_100000731031_100000758301 [0,2,0,0,0,0|2,0,0]=4 8493 B10R0.60 CCC(C)SCCS(=O)(=O)C 62a_100000758301_100000230027 [0,2,0,0,0,0|2,0,0]=4 8494 B10R0.60 CCN(C)CCCS(=O)(=O)C 2230a_100000225621_100000754308 [0,2,0,0,0,0|2,0,0]=4 8495 B10R0.60 CCN(C)CCCS(=O)(=O)C 269982a_100000225621_100000754308 [0,2,0,0,0,0|2,0,0]=4 8496 B10R0.65 C=C(C)CCNC(C)(C)CC 2230a_100000211385_100000730704 [0,2,0,0,0,0|2,0,0]=4 8497 B10R0.65 C=C(C)CCOC(C)(C)CC 7a_100000210230_100000730704 [0,2,0,0,0,0|2,0,0]=4 8498 B10R0.65 C=C(C)CCSC(C)(C)CC 62a_100000032637_100000730704 [0,2,0,0,0,0|2,0,0]=4 8499 B10R0.65 C=C(C)CCSC(C)(C)CC 62a_100000730704_100000032637 [0,2,0,0,0,0|2,0,0]=4 8500 B10R0.65 C=C(C)COCC(C)(C)CC 7a_100000765029_100000748629 [0,2,0,0,0,0|2,0,0]=4 8501 B10R0.65 CC(=O)CCCC(C)(C)C#N 1458a_100000070787_100000759902 [0,2,0,0,0,0|1,0,1]=4 8502 B10R0.65 CC(=O)CCOC(C)(C)CCl 7a_100000764493_100000053229 [0,2,0,0,0,0|2,0,0]=4 8503 B10R0.65 CC(=O)CCSC(F)(F)CO 62a_100000053229_100011217949 [0,2,0,0,0,0|2,0,0]=4 8504 B10R0.65 CC(=O)CCSC(F)(F)CO 62a_100011217949_100000053229 [0,2,0,0,0,0|2,0,0]=4 8505 B10R0.65 CC(=O)COCC(C)(C)CO 34a_100000211253_100009813988 [0,2,0,0,0,0|2,0,0]=4 8506 B10R0.65 CCC(C)(C)COCC(=O)N 7a_100000765029_100000187820 [0,2,0,0,0,0|2,0,0]=4 8507 B10R0.65 CCC(C)(C)NCCC(=O)N 2230a_100000211385_100000744528 [0,2,0,0,0,0|2,0,0]=4 8508 B10R0.65 CCC(C)(C)OCCC(=O)C 7a_100000210230_100000053229 [0,2,0,0,0,0|1,0,0]=3 8509 B10R0.65 CCC(C)(C)OCCC(=O)C 7a_100000759926_100000210677 [0,2,0,0,0,0|1,0,0]=3 8510 B10R0.65 CCC(C)(C)OCCC(=O)N 7a_100000210230_100000744528 [0,2,0,0,0,0|2,0,0]=4 8511 B10R0.65 CCC(C)(C)OCCC(=O)N 7a_100000757172_100000210677 [0,2,0,0,0,0|2,0,0]=4 8512 B10R0.65 CCC(C)(C)SCCC(=O)C 62a_100000032637_100000053229 [0,2,0,0,0,0|1,0,0]=3 8513 B10R0.65 CCC(C)(C)SCCC(=O)C 62a_100000053229_100000032637 [0,2,0,0,0,0|1,0,0]=3 8514 B10R0.65 CCC(C)(C)SCCC(=O)N 62a_100000032637_100000744528 [0,2,0,0,0,0|2,0,0]=4 8515 B10R0.65 CCC(C)(C)SCCC(=O)N 62a_100000744528_100000032637 [0,2,0,0,0,0|2,0,0]=4 8516 B10R0.65 CCC(C)(C)SCOC(=O)C 62a_100000032637_100000076356 [0,2,0,0,0,0|2,0,0]=4 8517 B10R0.65 CCC(C)(C)SCOC(=O)C 62a_100000076356_100000032637 [0,2,0,0,0,0|2,0,0]=4 8518 B10R0.65 CCS(=O)(=O)CCNC(=O)C 11a_100000751051_100015343762 [0,2,0,0,0,0|2,0,0]=4 8519 B10R0.65 CCS(=O)(=O)CCNC(=O)C 1626a_100000751051_100015343762 [0,2,0,0,0,0|2,0,0]=4 8520 B10R0.65 CCS(=O)(=O)CCNC(=O)C 240690a_100000751051_100015343762 [0,2,0,0,0,0|2,0,0]=4 8521 B10R0.65 CCS(=O)(=O)CCNC(=O)C 527a_100000751051_100103153847 [0,2,0,0,0,0|2,0,0]=4 8522 B10R0.65 COC(C)(C)COCC(=O)C 34a_100000211253_100000701081 [0,2,0,0,0,0|2,0,0]=4 8523 B10R0.77 C#CC(CC)OCCC(=C)C 34a_100000758843_100000730704 [0,2,0,0,0,0|2,0,0]=4 8524 B10R0.77 C#CC(CC)OCCC(=C)C 7a_100000758843_100000730704 [0,2,0,0,0,0|2,0,0]=4 8525 B10R0.77 C#CC(CC)OCCC(=O)C 7a_100000758843_100000053229 [0,2,0,0,0,0|1,0,0]=3 8526 B10R0.77 C#CC(CC)OCCC(=O)N 34a_100000758843_100000731001 [0,2,0,0,0,0|2,0,0]=4 8527 B10R0.77 C#CC(CC)OCCC(=O)N 7a_100000758843_100000744528 [0,2,0,0,0,0|2,0,0]=4 8528 B10R0.77 C#CC(CC)OCOC(=O)C 34a_100000758843_100009813279 [0,2,0,0,0,0|2,0,0]=4 8529 B10R0.77 C=C(C)CCNC(CC)CC 2230a_100000199018_100000730704 [0,2,0,0,0,0|2,0,0]=4 8530 B10R0.77 C=C(C)CCN[C@@H](CC)CO 2230a_100000709445_100000730704 [0,2,0,0,0,0|2,0,0]=4 8531 B10R0.77 C=C(C)CCOC(CC)CC 7a_100000688536_100000730704 [0,2,0,0,0,0|2,0,0]=4 8532 B10R0.77 C=C(C)CCSC(CC)CC 62a_100000210505_100000730704 [0,2,0,0,0,0|2,0,0]=4 8533 B10R0.77 C=C(C)CCSC(CC)CC 62a_100000730704_100000210505 [0,2,0,0,0,0|2,0,0]=4 8534 B10R0.77 C=C(C)CNCC(CC)CC 2230a_100102946423_100000748629 [0,2,0,0,0,0|2,0,0]=4 8535 B10R0.77 C=C(C)COCC(CC)CC 34a_100000210245_100011215472 [0,2,0,0,0,0|2,0,0]=4 8536 B10R0.77 C=C(C)COCC(CC)CC 7a_100000703878_100000748629 [0,2,0,0,0,0|2,0,0]=4 8537 B10R0.77 C=C(C)COCC(CC)OC 34a_100011934954_100000748629 [0,2,0,0,0,0|2,0,0]=4 8538 B10R0.77 C=C(C)COCC(CC)OC 7a_100011934954_100000748629 [0,2,0,0,0,0|2,0,0]=4 8539 B10R0.77 C=C(C)CSCC(CC)CC 62a_100000748629_100011215472 [0,2,0,0,0,0|2,0,0]=4 8540 B10R0.77 C=C(C)CSCC(CC)CC 62a_100011215472_100000211660 [0,2,0,0,0,0|2,0,0]=4 8541 B10R0.77 C=CC(CC)OCCC(=C)C 34a_100000766422_100000730704 [0,2,0,0,0,0|2,0,0]=4 8542 B10R0.77 C=CC(CC)OCCC(=C)C 7a_100000766422_100000730704 [0,2,0,0,0,0|2,0,0]=4 8543 B10R0.77 C=CC(CC)OCCC(=O)C 7a_100000766422_100000053229 [0,2,0,0,0,0|1,0,0]=3 8544 B10R0.77 C=CC(CC)OCCC(=O)N 34a_100000766422_100000731001 [0,2,0,0,0,0|2,0,0]=4 8545 B10R0.77 C=CC(CC)OCCC(=O)N 7a_100000766422_100000744528 [0,2,0,0,0,0|2,0,0]=4 8546 B10R0.77 C=CC(CC)OCOC(=O)C 34a_100000766422_100009813279 [0,2,0,0,0,0|2,0,0]=4 8547 B10R0.77 CC(=O)CCOC(CCl)CCl 7a_100000737055_100000053229 [0,2,0,0,0,0|2,0,0]=4 8548 B10R0.77 CC(=O)CCOC(CF)CF 7a_100000032261_100000053229 [0,2,0,0,0,0|2,0,0]=4 8549 B10R0.77 CC(=O)CCO[C@@H](CF)CCl 7a_100015614560_100000053229 [0,2,0,0,0,0|2,0,0]=4 8550 B10R0.77 CCC(CC)CNCC(=O)N 2230a_100000711301_100011215472 [0,2,0,0,0,0|2,0,0]=4 8551 B10R0.77 CCC(CC)CNCC(=O)N 2230a_100102946423_100000747473 [0,2,0,0,0,0|2,0,0]=4 8552 B10R0.77 CCC(CC)CNCC(=O)O 269956a_100016091260_100011215472 [0,2,0,0,0,0|2,0,0]=4 8553 B10R0.77 CCC(CC)COCC(=O)C 34a_100000211253_100011215472 [0,2,0,0,0,0|1,0,0]=3 8554 B10R0.77 CCC(CC)COCC(=O)N 7a_100000703878_100000187820 [0,2,0,0,0,0|2,0,0]=4 8555 B10R0.77 CCC(CC)CSCC(=O)N 62a_100000747473_100011215472 [0,2,0,0,0,0|2,0,0]=4 8556 B10R0.77 CCC(CC)CSCC(=O)N 62a_100011215472_100000747473 [0,2,0,0,0,0|2,0,0]=4 8557 B10R0.77 CCC(CC)CSCC(=O)[O-] 62a_100011215472_100020667443 [0,2,0,0,0,0|2,0,0]=4 8558 B10R0.77 CCC(CC)CSCC(=O)[O-] 62a_100020667443_100011215472 [0,2,0,0,0,0|2,0,0]=4 8559 B10R0.77 CCC(CC)NCCC(=O)N 2230a_100000199018_100000744528 [0,2,0,0,0,0|2,0,0]=4 8560 B10R0.77 CCC(CC)OCCC(=O)C 7a_100000688536_100000053229 [0,2,0,0,0,0|1,0,0]=3 8561 B10R0.77 CCC(CC)OCCC(=O)C 7a_100000759926_100000210505 [0,2,0,0,0,0|1,0,0]=3 8562 B10R0.77 CCC(CC)OCCC(=O)N 7a_100000688536_100000744528 [0,2,0,0,0,0|2,0,0]=4 8563 B10R0.77 CCC(CC)OCCC(=O)N 7a_100000757172_100000210505 [0,2,0,0,0,0|2,0,0]=4 8564 B10R0.77 CCC(CC)SCCC(=O)C 62a_100000053229_100000210505 [0,2,0,0,0,0|1,0,0]=3 8565 B10R0.77 CCC(CC)SCCC(=O)C 62a_100000210505_100000053229 [0,2,0,0,0,0|1,0,0]=3 8566 B10R0.77 CCC(CC)SCCC(=O)N 62a_100000210505_100000744528 [0,2,0,0,0,0|2,0,0]=4 8567 B10R0.77 CCC(CC)SCCC(=O)N 62a_100000744528_100000210505 [0,2,0,0,0,0|2,0,0]=4 8568 B10R0.77 CCC(CC)SCOC(=O)C 62a_100000076356_100000210505 [0,2,0,0,0,0|2,0,0]=4 8569 B10R0.77 CCC(CC)SCOC(=O)C 62a_100000210505_100000076356 [0,2,0,0,0,0|2,0,0]=4 8570 B10R0.77 CCC(COCC(=O)N)OC 34a_100011934954_100000187820 [0,2,0,0,0,0|2,0,0]=4 8571 B10R0.77 CCC(COCC(=O)N)OC 7a_100011934954_100000187820 [0,2,0,0,0,0|2,0,0]=4 8572 B10R0.77 CCC(COCC(=O)[O-])OC 34a_100011934954_100020667443 [0,2,0,0,0,0|2,0,0]=4 8573 B10R0.77 CCN(CC)CCCC(=O)C 1458a_100000070787_100000709985 [0,2,0,0,0,0|1,0,0]=3 8574 B10R0.77 CCN(CC)CCCC(=O)C 1458a_100076194134_200000210301 [0,2,0,0,0,0|1,0,0]=3 8575 B10R0.77 CCN(CC)CCCC(=O)C 269956a_100000042499_100011215641 [0,2,0,0,0,0|1,0,0]=3 8576 B10R0.77 CCN(CC)CCCC(=O)C 269982a_100000724800_100011215641 [0,2,0,0,0,0|1,0,0]=3 8577 B10R0.77 CCN(CC)CCCC(=O)N 269956a_100000042499_100102525003 [0,2,0,0,0,0|2,0,0]=4 8578 B10R0.77 CCN(CC)CCCC(=O)N 269982a_100000724800_100102525003 [0,2,0,0,0,0|2,0,0]=4 8579 B10R0.77 CCN(CC)CCCC(=O)[13CH3] 1458a_100076194134_200025704644 [0,2,0,0,0,0|1,0,0]=3 8580 B10R0.77 CCN(CC)CCNC(=O)C 1626a_100015382049_100015343762 [0,2,0,0,0,0|2,0,0]=4 8581 B10R0.77 CCN(CC)CCNC(=O)C 2230a_100000724800_100000189650 [0,2,0,0,0,0|2,0,0]=4 8582 B10R0.77 CCN(CC)CCNC(=O)C 240690a_100015382049_100015343762 [0,2,0,0,0,0|2,0,0]=4 8583 B10R0.77 CCN(CC)CCNC(=O)C 269956a_100000042499_100000189650 [0,2,0,0,0,0|2,0,0]=4 8584 B10R0.77 CCN(CC)CCNC(=O)C 269982a_100000724800_100000189650 [0,2,0,0,0,0|2,0,0]=4 8585 B10R0.77 CCN(CC)CCNC(=O)C 527a_100015382049_100103153847 [0,2,0,0,0,0|2,0,0]=4 8586 B10R0.77 CCN(CC)CCOC(=O)C 269956a_100000042499_100009814007 [0,2,0,0,0,0|2,0,0]=4 8587 B10R0.77 CCN(CC)CCOC(=O)C 269982a_100000724800_100009814007 [0,2,0,0,0,0|2,0,0]=4 8588 B10R0.77 CC[C@@H](CO)NCCC(=O)N 2230a_100000709445_100000744528 [0,2,0,0,0,0|2,0,0]=4 8589 B10R0.77 COC(CCCC(=O)C)OC 1458a_100000070787_100000069011 [0,2,0,0,0,0|1,0,0]=3 8590 B10R0.77 COC(COCC(=O)C)OC 34a_100000211253_100000211822 [0,2,0,0,0,0|2,0,0]=4 8591 B10R0.82 C=C(C)C(C)NCC(C)CC 269862a_100020588543_100011216138 [0,2,0,0,0,0|2,0,0]=4 8592 B10R0.82 C=C(C)C(C)NCC(O)CC 269862a_100011218483_100011216138 [0,2,0,0,0,0|2,0,0]=4 8593 B10R0.82 CC(=O)C(C)COC(C)CO 34a_100000032740_100012180447 [0,2,0,0,0,0|2,0,0]=4 8594 B10R0.82 CC(=O)C(C)COC(C)CO 7a_100000032740_100012180447 [0,2,0,0,0,0|2,0,0]=4 8595 B10R0.82 CC(=O)C(C)NC[C@H](O)CO 2230a_100020644852_100009814033 [0,2,0,0,0,0|2,0,0]=4 8596 B10R0.82 CC(=O)C(C)OCC(O)CO 34a_100000212229_100011219619 [0,2,0,0,0,0|2,0,0]=4 8597 B10R0.82 CC(=O)C(C)OC[C@@H](C)CO 34a_100000212229_100000059175 [0,2,0,0,0,0|2,0,0]=4 8598 B10R0.82 CC(=O)C(C)OC[C@@H](O)CF 34a_100000212229_100015614560 [0,2,0,0,0,0|2,0,0]=4 8599 B10R0.82 CC(=O)C(C)OC[C@@H](O)CO 34a_100000212229_100009815848 [0,2,0,0,0,0|2,0,0]=4 8600 B10R0.82 CC(=O)C(C)SCC(O)CO 62a_100009814033_100011219619 [0,2,0,0,0,0|2,0,0]=4 8601 B10R0.82 CC(=O)C(C)SCC(O)CO 62a_100011219619_100009814033 [0,2,0,0,0,0|2,0,0]=4 8602 B10R0.82 CC(=O)C(C)SC[C@@H](C)CO 62a_100000059175_100009814033 [0,2,0,0,0,0|2,0,0]=4 8603 B10R0.82 CC(=O)C(C)SC[C@@H](C)CO 62a_100009814033_100000059175 [0,2,0,0,0,0|2,0,0]=4 8604 B10R0.82 CC(=O)C(C)SC[C@@H](O)CF 62a_100009814033_100015614560 [0,2,0,0,0,0|2,0,0]=4 8605 B10R0.82 CC(=O)C(C)SC[C@@H](O)CF 62a_100015614560_100009814033 [0,2,0,0,0,0|2,0,0]=4 8606 B10R0.82 CC(=O)C(C)SC[C@@H](O)CO 62a_100009814033_100009815848 [0,2,0,0,0,0|2,0,0]=4 8607 B10R0.82 CC(=O)C(C)SC[C@@H](O)CO 62a_100009815848_100009814033 [0,2,0,0,0,0|2,0,0]=4 8608 B10R0.82 CCC(=O)CCN(C)C(=O)C 1458a_100011216537_100000210202 [0,2,0,0,0,0|1,0,1]=4 8609 B10R0.82 CCC(=O)CSC(C)C(=O)C 62a_100000747405_100009814033 [0,2,0,0,0,0|1,0,1]=4 8610 B10R0.82 CCC(=O)CSC(C)C(=O)C 62a_100009814033_100000747405 [0,2,0,0,0,0|1,0,1]=4 8611 B10R0.82 CCC(C)CNC(C)C(=O)C 2230a_100020588543_100009814033 [0,2,0,0,0,0|1,0,0]=3 8612 B10R0.82 CCC(C)CNC(C)C(=O)N 2230a_100020588543_100000702099 [0,2,0,0,0,0|2,0,0]=4 8613 B10R0.82 CCC(C)CNC(F)C(=O)N 2230a_100020588543_100009813875 [0,2,0,0,0,0|2,0,0]=4 8614 B10R0.82 CCC(C)CN[C@@H](C)C(=O)O 269956a_100000743915_100000748023 [0,2,0,0,0,0|2,0,0]=4 8615 B10R0.82 CCC(C)CN[C@H](C)C(=O)N 2230a_100000119354_100000748023 [0,2,0,0,0,0|2,0,0]=4 8616 B10R0.82 CCC(C)CN[C@H](C)C(=O)N 270004a_100000119354_100000243153 [0,2,0,0,0,0|2,0,0]=4 8617 B10R0.82 CCC(C)CN[C@H](C)C(=O)N 34a_100000119354_100000748023 [0,2,0,0,0,0|2,0,0]=4 8618 B10R0.82 CCC(C)COC(C)C(=O)C 34a_100000212229_100000748023 [0,2,0,0,0,0|1,0,0]=3 8619 B10R0.82 CCC(C)CO[C@@H](C)C(=O)[O-] 7a_217856618621_100000748023 [0,2,0,0,0,0|2,0,0]=4 8620 B10R0.82 CCC(C)CO[C@H](C)C(=O)N 34a_100000731257_100000748023 [0,2,0,0,0,0|2,0,0]=4 8621 B10R0.82 CCC(C)CO[C@H](C)C(=O)N 7a_100000731257_100000748023 [0,2,0,0,0,0|2,0,0]=4 8622 B10R0.82 CCC(C)CSC(C)C(=O)C 62a_100000748023_100009814033 [0,2,0,0,0,0|1,0,0]=3 8623 B10R0.82 CCC(C)CSC(C)C(=O)C 62a_100009814033_100000748023 [0,2,0,0,0,0|1,0,0]=3 8624 B10R0.82 CCC(C)CSC(C)C(=O)N 62a_100000702099_100000748023 [0,2,0,0,0,0|2,0,0]=4 8625 B10R0.82 CCC(C)CSC(C)C(=O)N 62a_100000748023_100000702099 [0,2,0,0,0,0|2,0,0]=4 8626 B10R0.82 CCC(C)CSC(F)C(=O)N 62a_100000748023_100009813875 [0,2,0,0,0,0|2,0,0]=4 8627 B10R0.82 CCC(C)CSC(F)C(=O)N 62a_100009813875_100000748023 [0,2,0,0,0,0|2,0,0]=4 8628 B10R0.82 CCC(C)CSC(F)C(=O)[O-] 62a_100000748023_100020610796 [0,2,0,0,0,0|2,0,0]=4 8629 B10R0.82 CCC(C)CSC(F)C(=O)[O-] 62a_100020610796_100000748023 [0,2,0,0,0,0|2,0,0]=4 8630 B10R0.82 CCC(C)NCC(C)C(=O)O 269956a_100000749485_100000758301 [0,2,0,0,0,0|2,0,0]=4 8631 B10R0.82 CCC(C)NCC(F)C(=O)O 269956a_100000084737_100000758301 [0,2,0,0,0,0|2,0,0]=4 8632 B10R0.82 CCC(C)OCC(C)C(=O)C 34a_100000032740_100011215416 [0,2,0,0,0,0|1,0,0]=3 8633 B10R0.82 CCC(C)OCC(C)C(=O)C 7a_100000032740_100000758301 [0,2,0,0,0,0|1,0,0]=3 8634 B10R0.82 CCC(C)OC[C@H](N)C(=O)N 34a_100000729942_100011215416 [0,2,0,0,0,0|2,0,0]=4 8635 B10R0.82 CCC(C)SCC(=O)C(=O)C 62a_100000758301_100011261029 [0,2,0,0,0,0|1,0,1]=4 8636 B10R0.82 CCC(C)SCC(=O)C(=O)C 62a_100011261029_100000758301 [0,2,0,0,0,0|1,0,1]=4 8637 B10R0.82 CCC(O)CNC(C)C(=O)C 2230a_100011218483_100009814033 [0,2,0,0,0,0|1,0,0]=3 8638 B10R0.82 CCC(O)CNC(C)C(=O)N 2230a_100011218483_100000702099 [0,2,0,0,0,0|2,0,0]=4 8639 B10R0.82 CCC(O)CNC(F)C(=O)N 2230a_100011218483_100009813875 [0,2,0,0,0,0|2,0,0]=4 8640 B10R0.82 CCC(O)CN[C@@H](C)C(=O)O 269956a_100000743915_100011218378 [0,2,0,0,0,0|2,0,0]=4 8641 B10R0.82 CCC(O)CN[C@H](C)C(=O)N 2230a_100000119354_100011218378 [0,2,0,0,0,0|2,0,0]=4 8642 B10R0.82 CCC(O)CN[C@H](C)C(=O)N 34a_100000119354_100011218378 [0,2,0,0,0,0|2,0,0]=4 8643 B10R0.82 CCC(O)COC(C)C(=O)C 34a_100000212229_100011218378 [0,2,0,0,0,0|1,0,0]=3 8644 B10R0.82 CCC(O)CO[C@@H](C)C(=O)[O-] 7a_217856618621_100011218378 [0,2,0,0,0,0|2,0,0]=4 8645 B10R0.82 CCC(O)CO[C@H](C)C(=O)N 34a_100000731257_100011218378 [0,2,0,0,0,0|2,0,0]=4 8646 B10R0.82 CCC(O)CO[C@H](C)C(=O)N 7a_100000731257_100011218378 [0,2,0,0,0,0|2,0,0]=4 8647 B10R0.82 CCC(O)CSC(C)C(=O)C 62a_100009814033_100011218378 [0,2,0,0,0,0|1,0,0]=3 8648 B10R0.82 CCC(O)CSC(C)C(=O)C 62a_100011218378_100009814033 [0,2,0,0,0,0|1,0,0]=3 8649 B10R0.82 CCC(O)CSC(C)C(=O)N 62a_100000702099_100011218378 [0,2,0,0,0,0|2,0,0]=4 8650 B10R0.82 CCC(O)CSC(C)C(=O)N 62a_100011218378_100000702099 [0,2,0,0,0,0|2,0,0]=4 8651 B10R0.82 CCC(O)CSC(F)C(=O)N 62a_100009813875_100011218378 [0,2,0,0,0,0|2,0,0]=4 8652 B10R0.82 CCC(O)CSC(F)C(=O)N 62a_100011218378_100009813875 [0,2,0,0,0,0|2,0,0]=4 8653 B10R0.82 CCC(O)CSC(F)C(=O)[O-] 62a_100011218378_100020610796 [0,2,0,0,0,0|2,0,0]=4 8654 B10R0.82 CCC(O)CSC(F)C(=O)[O-] 62a_100020610796_100011218378 [0,2,0,0,0,0|2,0,0]=4 8655 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 8656 B10R0.82 CC[C@H](C)CN[C@H](C)C(=O)N 2230a_100000119354_100009816398 [0,2,0,0,0,0|2,0,0]=4 8657 B10R0.82 CC[C@H](C)CN[C@H](C)C(=O)N 34a_100000119354_100009816398 [0,2,0,0,0,0|2,0,0]=4 8658 B10R0.82 CC[C@H](C)COC(C)C(=O)C 34a_100000212229_100009816398 [0,2,0,0,0,0|1,0,0]=3 8659 B10R0.82 CC[C@H](C)COC(C)C(=O)C 7a_100009816381_100000179758 [0,2,0,0,0,0|1,0,0]=3 8660 B10R0.82 CC[C@H](C)COC(C)C(=O)N 7a_100009816381_100000702099 [0,2,0,0,0,0|2,0,0]=4 8661 B10R0.82 CC[C@H](C)COC(F)C(=O)N 7a_100009816381_100009813875 [0,2,0,0,0,0|2,0,0]=4 8662 B10R0.82 CC[C@H](C)CO[C@@H](C)C(=O)[O-] 7a_217856618621_100009816398 [0,2,0,0,0,0|2,0,0]=4 8663 B10R0.82 CC[C@H](C)CO[C@H](C)C(=O)N 34a_100000731257_100009816398 [0,2,0,0,0,0|2,0,0]=4 8664 B10R0.82 CC[C@H](C)CO[C@H](C)C(=O)N 7a_100000731257_100009816398 [0,2,0,0,0,0|2,0,0]=4 8665 B10R0.82 CC[C@H](C)CSC(C)C(=O)C 62a_100009814033_100009816398 [0,2,0,0,0,0|1,0,0]=3 8666 B10R0.82 CC[C@H](C)CSC(C)C(=O)C 62a_100009816398_100009814033 [0,2,0,0,0,0|1,0,0]=3 8667 B10R0.82 CC[C@H](C)CSC(C)C(=O)N 62a_100000702099_100009816398 [0,2,0,0,0,0|2,0,0]=4 8668 B10R0.82 CC[C@H](C)CSC(C)C(=O)N 62a_100009816398_100000702099 [0,2,0,0,0,0|2,0,0]=4 8669 B10R0.82 CC[C@H](C)CSC(F)C(=O)N 62a_100009813875_100009816398 [0,2,0,0,0,0|2,0,0]=4 8670 B10R0.82 CC[C@H](C)CSC(F)C(=O)N 62a_100009816398_100009813875 [0,2,0,0,0,0|2,0,0]=4 8671 B10R0.82 CC[C@H](C)CSC(F)C(=O)[O-] 62a_100009816398_100020610796 [0,2,0,0,0,0|2,0,0]=4 8672 B10R0.82 CC[C@H](C)CSC(F)C(=O)[O-] 62a_100020610796_100009816398 [0,2,0,0,0,0|2,0,0]=4 8673 B10R0.82 CO[C@H](C)CNC(C)C(=O)C 2230a_100020591295_100009814033 [0,2,0,0,0,0|2,0,0]=4 8674 B10R0.98 C=C(C)C(=O)CCCC(=O)C 1458a_100000185857_100011215641 [0,2,0,0,0,0|0,0,2]=4 8675 B10R0.98 C=C(C)C(=O)CCCC(C)C 1458a_100000185857_100011214892 [0,2,0,0,0,0|1,0,1]=4 8676 B10R0.98 C=C(C)C(=O)CCCC(C)O 1458a_100000185857_200000718107 [0,2,0,0,0,0|1,0,1]=4 8677 B10R0.98 C=C(C)C(C)NCCC(C)C 269862a_100000210545_100011216138 [0,2,0,0,0,0|2,0,0]=4 8678 B10R0.98 C=C(C)C(C)NCCC(C)O 269862a_200000755665_100011216138 [0,2,0,0,0,0|2,0,0]=4 8679 B10R0.98 C=C(C)CCNC(C)C(C)C 2230a_100000211541_100000730704 [0,2,0,0,0,0|2,0,0]=4 8680 B10R0.98 C=C(C)CCOC(C)C(=O)C 34a_100000212229_100000730704 [0,2,0,0,0,0|1,0,1]=4 8681 B10R0.98 C=C(C)CCOC(C)C(C)C 7a_100000748068_100000730704 [0,2,0,0,0,0|2,0,0]=4 8682 B10R0.98 C=C(C)CCSC(C)C(=O)C 62a_100000730704_100009814033 [0,2,0,0,0,0|1,0,1]=4 8683 B10R0.98 C=C(C)CCSC(C)C(=O)C 62a_100009814033_100000730704 [0,2,0,0,0,0|1,0,1]=4 8684 B10R0.98 C=C(C)CNCC(O)C(C)C 2230a_100000759067_100000748629 [0,2,0,0,0,0|2,0,0]=4 8685 B10R0.98 C=C(C)CNCC(O)C(C)C 34a_100000759067_100000748629 [0,2,0,0,0,0|2,0,0]=4 8686 B10R0.98 C=C(C)COCC(C)C(=O)C 34a_100000032740_100000748629 [0,2,0,0,0,0|1,0,1]=4 8687 B10R0.98 C=C(C)COCC(C)C(=O)C 7a_100000032740_100000748629 [0,2,0,0,0,0|1,0,1]=4 8688 B10R0.98 C=C(C)COC[C@H](N)C(C)C 34a_100011830312_100000748629 [0,2,0,0,0,0|2,0,0]=4 8689 B10R0.98 CC(=O)C(=O)CNCC(C)C 34a_100000210953_100011261029 [0,2,0,0,0,0|1,0,1]=4 8690 B10R0.98 CC(=O)C(=O)CNCC(C)O 34a_100000210904_100011261029 [0,2,0,0,0,0|1,0,1]=4 8691 B10R0.98 CC(=O)C(=O)COCC(C)Br 34a_100012180447_100011261029 [0,2,0,0,0,0|1,0,1]=4 8692 B10R0.98 CC(=O)C(=O)COCC(C)C 34a_100000210257_100011261029 [0,2,0,0,0,0|1,0,1]=4 8693 B10R0.98 CC(=O)C(=O)COCC(C)F 34a_100015925927_100011261029 [0,2,0,0,0,0|1,0,1]=4 8694 B10R0.98 CC(=O)C(=O)COC[C@@H](C)Cl 34a_100016084084_100011261029 [0,2,0,0,0,0|1,0,1]=4 8695 B10R0.98 CC(=O)C(=O)COC[C@@H](C)N 34a_100000737577_100011261029 [0,2,0,0,0,0|1,0,1]=4 8696 B10R0.98 CC(=O)C(=O)CSCC(C)C 62a_100000210624_100011261029 [0,2,0,0,0,0|1,0,1]=4 8697 B10R0.98 CC(=O)C(=O)CSCC(C)C 62a_100011261029_100000210760 [0,2,0,0,0,0|1,0,1]=4 8698 B10R0.98 CC(=O)C(=O)CSCC(C)O 62a_100011218427_100011261029 [0,2,0,0,0,0|1,0,1]=4 8699 B10R0.98 CC(=O)C(=O)CSCC(C)O 62a_100011261029_100011218427 [0,2,0,0,0,0|1,0,1]=4 8700 B10R0.98 CC(=O)C(=O)CSC[C@@H](C)O 62a_100009817552_100011261029 [0,2,0,0,0,0|1,0,1]=4 8701 B10R0.98 CC(=O)C(=O)CSC[C@@H](C)O 62a_100011261029_100009817552 [0,2,0,0,0,0|1,0,1]=4 8702 B10R0.98 CC(=O)C(C)COCC(C)C 34a_100000032740_100000210624 [0,2,0,0,0,0|1,0,0]=3 8703 B10R0.98 CC(=O)C(C)COCC(C)C 7a_100000032740_100000210760 [0,2,0,0,0,0|1,0,0]=3 8704 B10R0.98 CC(=O)C(C)COCC(C)O 34a_100000032740_100011218427 [0,2,0,0,0,0|1,0,0]=3 8705 B10R0.98 CC(=O)C(C)COCC(C)O 7a_100000032740_100011218427 [0,2,0,0,0,0|1,0,0]=3 8706 B10R0.98 CC(=O)C(C)COCC(F)F 34a_100000032740_100011934356 [0,2,0,0,0,0|2,0,0]=4 8707 B10R0.98 CC(=O)C(C)COCC(F)F 7a_100000032740_100011934356 [0,2,0,0,0,0|2,0,0]=4 8708 B10R0.98 CC(=O)C(C)COC[C@@H](C)O 34a_100000032740_100009817552 [0,2,0,0,0,0|1,0,0]=3 8709 B10R0.98 CC(=O)C(C)COC[C@@H](C)O 7a_100000032740_100009817552 [0,2,0,0,0,0|1,0,0]=3 8710 B10R0.98 CC(=O)C(C)NCCC(C)O 2230a_200000755665_100009814033 [0,2,0,0,0,0|1,0,0]=3 8711 B10R0.98 CC(=O)C(C)OCCC(C)C 34a_100000212229_100000210312 [0,2,0,0,0,0|1,0,0]=3 8712 B10R0.98 CC(=O)C(C)OCCC(C)C 7a_100000210254_100000179758 [0,2,0,0,0,0|1,0,0]=3 8713 B10R0.98 CC(=O)C(C)OCCC(C)O 34a_100000212229_100012276601 [0,2,0,0,0,0|1,0,0]=3 8714 B10R0.98 CC(=O)C(C)OCOC(C)C 34a_100000212229_100000709892 [0,2,0,0,0,0|2,0,0]=4 8715 B10R0.98 CC(=O)C(C)SCCC(C)C 62a_100000210312_100009814033 [0,2,0,0,0,0|1,0,0]=3 8716 B10R0.98 CC(=O)C(C)SCCC(C)C 62a_100009814033_100000210312 [0,2,0,0,0,0|1,0,0]=3 8717 B10R0.98 CC(=O)C(C)SCCC(C)O 62a_100009814033_100012276601 [0,2,0,0,0,0|1,0,0]=3 8718 B10R0.98 CC(=O)C(C)SCCC(C)O 62a_100012276601_100009814033 [0,2,0,0,0,0|1,0,0]=3 8719 B10R0.98 CC(=O)C(C)SCCN(C)C 62a_100009814033_100000755713 [0,2,0,0,0,0|2,0,0]=4 8720 B10R0.98 CC(=O)C(C)SCOC(C)C 62a_100000709892_100009814033 [0,2,0,0,0,0|2,0,0]=4 8721 B10R0.98 CC(=O)C(C)SCOC(C)C 62a_100009814033_100000709892 [0,2,0,0,0,0|2,0,0]=4 8722 B10R0.98 CC(=O)CCCC(=O)C(C)C 1458a_100000210198_100011215641 [0,2,0,0,0,0|0,0,1]=3 8723 B10R0.98 CC(=O)CCCC(=O)C(C)F 1458a_100000062450_100011215641 [0,2,0,0,0,0|0,0,1]=3 8724 B10R0.98 CC(=O)CCCC(=O)C(O)O 1458a_100000233687_100011215641 [0,2,0,0,0,0|1,0,1]=4 8725 B10R0.98 CC(=O)CCCC(=O)N(C)C 1458a_100000070787_100000737642 [0,2,0,0,0,0|1,0,1]=4 8726 B10R0.98 CC(=O)CCCC(=O)[C@@H](C)O 1458a_100000717761_100011215641 [0,2,0,0,0,0|0,0,1]=3 8727 B10R0.98 CC(=O)CCCC(=O)[C@H](C)O 1458a_217856618621_100011215641 [0,2,0,0,0,0|0,0,1]=3 8728 B10R0.98 CC(=O)CCCN(C)C(C)C 269982a_200000211004_100011215641 [0,2,0,0,0,0|1,0,0]=3 8729 B10R0.98 CC(=O)CCOC(C)C(=O)C 7a_100000759926_100000179758 [0,2,0,0,0,0|1,0,1]=4 8730 B10R0.98 CC(=O)CCOC(C)C(C)C 7a_100000748068_100000053229 [0,2,0,0,0,0|1,0,0]=3 8731 B10R0.98 CC(=O)CCSC(C)C(=O)C 62a_100000053229_100009814033 [0,2,0,0,0,0|1,0,1]=4 8732 B10R0.98 CC(=O)CCSC(C)C(=O)C 62a_100009814033_100000053229 [0,2,0,0,0,0|1,0,1]=4 8733 B10R0.98 CC(=O)COCC(=O)C(C)C 34a_100000211253_100000753385 [0,2,0,0,0,0|1,0,1]=4 8734 B10R0.98 CC(=O)N(C)CCCN(C)C 240690a_100000225831_100015343762 [0,2,0,0,0,0|2,0,0]=4 8735 B10R0.98 CC(=O)NCCC(=O)C(C)C 1458a_100000183196_100000210206 [0,2,0,0,0,0|1,0,1]=4 8736 B10R0.98 CC(=O)NCCC(=O)C(C)C 1458a_100000210198_100000189650 [0,2,0,0,0,0|1,0,1]=4 8737 B10R0.98 CC(=O)NCCC(=O)C(C)F 1458a_100000062450_100000189650 [0,2,0,0,0,0|1,0,1]=4 8738 B10R0.98 CC(=O)NCCC(=O)[C@@H](C)O 1458a_100000717761_100000189650 [0,2,0,0,0,0|1,0,1]=4 8739 B10R0.98 CC(=O)NCCC(=O)[C@H](C)O 1458a_217856618621_100000189650 [0,2,0,0,0,0|1,0,1]=4 8740 B10R0.98 CC(=O)NCCN(C)C(C)C 1626a_100000749581_100015343762 [0,2,0,0,0,0|2,0,0]=4 8741 B10R0.98 CC(=O)NCCN(C)C(C)C 240690a_100000749581_100015343762 [0,2,0,0,0,0|2,0,0]=4 8742 B10R0.98 CC(=O)NCCN(C)C(C)C 269982a_200000211004_100000189650 [0,2,0,0,0,0|2,0,0]=4 8743 B10R0.98 CC(=O)NCCN(C)C(C)C 527a_100000749581_100103153847 [0,2,0,0,0,0|2,0,0]=4 8744 B10R0.98 CC(=O)OCCC(=O)C(C)C 1458a_100000210198_100009814007 [0,2,0,0,0,0|1,0,1]=4 8745 B10R0.98 CC(=O)OCCC(=O)C(C)F 1458a_100000062450_100009814007 [0,2,0,0,0,0|1,0,1]=4 8746 B10R0.98 CC(=O)OCCC(=O)[C@@H](C)O 1458a_100000717761_100009814007 [0,2,0,0,0,0|1,0,1]=4 8747 B10R0.98 CC(=O)OCCC(=O)[C@H](C)O 1458a_217856618621_100009814007 [0,2,0,0,0,0|1,0,1]=4 8748 B10R0.98 CC(=O)OCCN(C)C(C)C 269982a_200000211004_100009814007 [0,2,0,0,0,0|2,0,0]=4 8749 B10R0.98 CC(=O)SCCC(=O)C(C)C 1458a_100000048949_100000210206 [0,2,0,0,0,0|1,0,1]=4 8750 B10R0.98 CC(Br)CCOC(C)C(=O)N 34a_100009893172_100000702099 [0,2,0,0,0,0|2,0,0]=4 8751 B10R0.98 CC(Br)CCOC(F)C(=O)N 34a_100009893172_100009813875 [0,2,0,0,0,0|2,0,0]=4 8752 B10R0.98 CC(Br)CCOC(F)C(=O)[O-] 34a_100009893172_100020610796 [0,2,0,0,0,0|2,0,0]=4 8753 B10R0.98 CC(C)C(=O)CCCC(=O)N 1458a_100000210198_100102525003 [0,2,0,0,0,0|1,0,1]=4 8754 B10R0.98 CC(C)C(C)NCCC(=O)N 2230a_100000211541_100000744528 [0,2,0,0,0,0|2,0,0]=4 8755 B10R0.98 CC(C)C(C)OCCC(=O)N 7a_100000748068_100000744528 [0,2,0,0,0,0|2,0,0]=4 8756 B10R0.98 CC(C)C(O)CNCC(=O)N 2230a_100000759067_100000747473 [0,2,0,0,0,0|2,0,0]=4 8757 B10R0.98 CC(C)C(O)CNCC(=O)N 34a_100000759067_100000187820 [0,2,0,0,0,0|2,0,0]=4 8758 B10R0.98 CC(C)C(O)CNCC(=O)[O-] 34a_100000759067_100020667443 [0,2,0,0,0,0|2,0,0]=4 8759 B10R0.98 CC(C)CCCC(C)N(C)C 270004a_100102631434_100000753411 [0,2,0,0,0,0|2,0,0]=4 8760 B10R0.98 CC(C)CCN[C@@H](C)C(=O)O 269956a_100000743915_100000210312 [0,2,0,0,0,0|2,0,0]=4 8761 B10R0.98 CC(C)CCN[C@H](C)C(=O)N 2230a_100000119354_100000210312 [0,2,0,0,0,0|2,0,0]=4 8762 B10R0.98 CC(C)CCN[C@H](C)C(=O)N 34a_100000119354_100000210312 [0,2,0,0,0,0|2,0,0]=4 8763 B10R0.98 CC(C)CCOC(C)C(=O)N 34a_100000210254_100000702099 [0,2,0,0,0,0|2,0,0]=4 8764 B10R0.98 CC(C)CCOC(C)C(=O)N 7a_100000210254_100000702099 [0,2,0,0,0,0|2,0,0]=4 8765 B10R0.98 CC(C)CCOC(F)C(=O)N 34a_100000210254_100009813875 [0,2,0,0,0,0|2,0,0]=4 8766 B10R0.98 CC(C)CCOC(F)C(=O)N 7a_100000210254_100009813875 [0,2,0,0,0,0|2,0,0]=4 8767 B10R0.98 CC(C)CCOC(F)C(=O)[O-] 34a_100000210254_100020610796 [0,2,0,0,0,0|2,0,0]=4 8768 B10R0.98 CC(C)CCO[C@@H](C)C(=O)[O-] 7a_217856618621_100000210626 [0,2,0,0,0,0|2,0,0]=4 8769 B10R0.98 CC(C)CCO[C@H](C)C(=O)N 34a_100000731257_100000210312 [0,2,0,0,0,0|2,0,0]=4 8770 B10R0.98 CC(C)CCO[C@H](C)C(=O)N 7a_100000731257_100000210626 [0,2,0,0,0,0|2,0,0]=4 8771 B10R0.98 CC(C)CCSC(C)C(=O)N 62a_100000210312_100000702099 [0,2,0,0,0,0|2,0,0]=4 8772 B10R0.98 CC(C)CCSC(C)C(=O)N 62a_100000702099_100000210312 [0,2,0,0,0,0|2,0,0]=4 8773 B10R0.98 CC(C)CCSC(F)C(=O)N 62a_100000210312_100009813875 [0,2,0,0,0,0|2,0,0]=4 8774 B10R0.98 CC(C)CCSC(F)C(=O)N 62a_100009813875_100000210312 [0,2,0,0,0,0|2,0,0]=4 8775 B10R0.98 CC(C)CCSC(F)C(=O)[O-] 62a_100000210312_100020610796 [0,2,0,0,0,0|2,0,0]=4 8776 B10R0.98 CC(C)CCSC(F)C(=O)[O-] 62a_100020610796_100000210312 [0,2,0,0,0,0|2,0,0]=4 8777 B10R0.98 CC(C)CNCC(C)C(=O)O 269956a_100000749485_100000210760 [0,2,0,0,0,0|2,0,0]=4 8778 B10R0.98 CC(C)CNCC(F)C(=O)O 269956a_100000084737_100000210760 [0,2,0,0,0,0|2,0,0]=4 8779 B10R0.98 CC(C)COC[C@H](N)C(=O)N 34a_100000729942_100000210624 [0,2,0,0,0,0|2,0,0]=4 8780 B10R0.98 CC(C)N(C)CCCC(=O)N 269982a_200000211004_100102525003 [0,2,0,0,0,0|2,0,0]=4 8781 B10R0.98 CC(C)N(C)CCCC(=O)O 269956a_100000719178_100000210206 [0,2,0,0,0,0|2,0,0]=4 8782 B10R0.98 CC(C)[C@@H](N)COCC(=O)N 34a_100011830312_100000187820 [0,2,0,0,0,0|2,0,0]=4 8783 B10R0.98 CC(C)[C@@H](N)COCC(=O)[O-] 34a_100011830312_100020667443 [0,2,0,0,0,0|2,0,0]=4 8784 B10R0.98 CC(CNC[C@@H](C)O)C(=O)O 269956a_100000749485_100009817552 [0,2,0,0,0,0|2,0,0]=4 8785 B10R0.98 CC(F)C(=O)CCCC(=O)N 1458a_100000062450_100102525003 [0,2,0,0,0,0|1,0,1]=4 8786 B10R0.98 CC(O)CCNC(C)C(=O)N 2230a_200000755665_100000702099 [0,2,0,0,0,0|2,0,0]=4 8787 B10R0.98 CC(O)CCNC(F)C(=O)N 2230a_200000755665_100009813875 [0,2,0,0,0,0|2,0,0]=4 8788 B10R0.98 CC(O)CCN[C@@H](C)C(=O)O 269956a_100000743915_100012276601 [0,2,0,0,0,0|2,0,0]=4 8789 B10R0.98 CC(O)CCN[C@H](C)C(=O)N 2230a_100000119354_100012276601 [0,2,0,0,0,0|2,0,0]=4 8790 B10R0.98 CC(O)CCN[C@H](C)C(=O)N 34a_100000119354_100012276601 [0,2,0,0,0,0|2,0,0]=4 8791 B10R0.98 CC(O)CCO[C@@H](C)C(=O)[O-] 7a_217856618621_100012276601 [0,2,0,0,0,0|2,0,0]=4 8792 B10R0.98 CC(O)CCO[C@H](C)C(=O)N 34a_100000731257_100012276601 [0,2,0,0,0,0|2,0,0]=4 8793 B10R0.98 CC(O)CCO[C@H](C)C(=O)N 7a_100000731257_100012276601 [0,2,0,0,0,0|2,0,0]=4 8794 B10R0.98 CC(O)CCSC(C)C(=O)N 62a_100000702099_100012276601 [0,2,0,0,0,0|2,0,0]=4 8795 B10R0.98 CC(O)CCSC(C)C(=O)N 62a_100012276601_100000702099 [0,2,0,0,0,0|2,0,0]=4 8796 B10R0.98 CC(O)CCSC(F)C(=O)N 62a_100009813875_100012276601 [0,2,0,0,0,0|2,0,0]=4 8797 B10R0.98 CC(O)CCSC(F)C(=O)N 62a_100012276601_100009813875 [0,2,0,0,0,0|2,0,0]=4 8798 B10R0.98 CC(O)CCSC(F)C(=O)[O-] 62a_100012276601_100020610796 [0,2,0,0,0,0|2,0,0]=4 8799 B10R0.98 CC(O)CCSC(F)C(=O)[O-] 62a_100020610796_100012276601 [0,2,0,0,0,0|2,0,0]=4 8800 B10R0.98 CC(O)CNCC(C)C(=O)O 269956a_100000749485_100011218427 [0,2,0,0,0,0|2,0,0]=4 8801 B10R0.98 CC(O)CNCC(F)C(=O)O 269956a_100000084737_100011218427 [0,2,0,0,0,0|2,0,0]=4 8802 B10R0.98 CC(O)COC[C@H](N)C(=O)N 34a_100000729942_100011218427 [0,2,0,0,0,0|2,0,0]=4 8803 B10R0.98 CC(OCC[C@@H](C)N)C(=O)N 34a_100000706166_100000702099 [0,2,0,0,0,0|2,0,0]=4 8804 B10R0.98 C[C@@H](N)CCOC(F)C(=O)N 34a_100000706166_100009813875 [0,2,0,0,0,0|2,0,0]=4 8805 B10R0.98 C[C@@H](N)CCOC(F)C(=O)[O-] 34a_100000706166_100020610796 [0,2,0,0,0,0|2,0,0]=4 8806 B10R0.98 C[C@@H](O)C(=O)CCCC(=O)N 1458a_100000717761_100102525003 [0,2,0,0,0,0|1,0,1]=4 8807 B10R0.98 C[C@@H](O)CNCC(F)C(=O)O 269956a_100000084737_100009817552 [0,2,0,0,0,0|2,0,0]=4 8808 B10R0.98 C[C@@H](O)COC[C@H](N)C(=O)N 34a_100000729942_100009817552 [0,2,0,0,0,0|2,0,0]=4 8809 B10R0.98 C[C@H](O)C(=O)CCCC(=O)N 1458a_217856618621_100102525003 [0,2,0,0,0,0|1,0,1]=4 8810 B10R0.4 C#CCCCCCCC(=O)C 1458a_100000034748_200000210301 [0,2,0,0,0,0|0,0,0]=2 8811 B10R0.4 C#CCCCCCCC(=O)C 1458a_100000070787_100012276617 [0,2,0,0,0,0|0,0,0]=2 8812 B10R0.4 C#CCCCCCCC(=O)[13CH3] 1458a_100000034748_200025704644 [0,2,0,0,0,0|0,0,0]=2 8813 B10R0.4 C#CCCCCCCN(C)C 2230a_100102631434_100012276617 [0,2,0,0,0,0|2,0,0]=4 8814 B10R0.4 C#CCCCCCCN(C)C 269982a_100102631434_100012276617 [0,2,0,0,0,0|2,0,0]=4 8815 B10R0.4 C#CCCCCNCC(=C)C 2230a_100000706060_100000748629 [0,2,0,0,0,0|1,0,1]=4 8816 B10R0.4 C#CCCCCNCC(=C)C 34a_100000706060_100000748629 [0,2,0,0,0,0|1,0,1]=4 8817 B10R0.4 C#CCCCCNCC(=O)N 2230a_100000706060_100000747473 [0,2,0,0,0,0|1,0,1]=4 8818 B10R0.4 C#CCCCCNCC(=O)N 2230a_100000711301_100010269958 [0,2,0,0,0,0|1,0,1]=4 8819 B10R0.4 C#CCCCCNCC(=O)N 34a_100000706060_100000187820 [0,2,0,0,0,0|1,0,1]=4 8820 B10R0.4 C#CCCCCNCC(=O)O 269956a_100016091260_100010269958 [0,2,0,0,0,0|1,0,1]=4 8821 B10R0.4 C#CCCCCNCC(=O)[O-] 34a_100000706060_100020667443 [0,2,0,0,0,0|1,0,1]=4 8822 B10R0.4 C#CCCCCOCC(=C)C 34a_100000210245_100010269958 [0,2,0,0,0,0|1,0,1]=4 8823 B10R0.4 C#CCCCCOCC(=C)C 34a_100000766709_100000748629 [0,2,0,0,0,0|1,0,1]=4 8824 B10R0.4 C#CCCCCOCC(=C)C 7a_100000766709_100000748629 [0,2,0,0,0,0|1,0,1]=4 8825 B10R0.4 C#CCCCCOCC(=O)C 34a_100000211253_100010269958 [0,2,0,0,0,0|0,0,1]=3 8826 B10R0.4 C#CCCCCOCC(=O)N 34a_100000766709_100000187820 [0,2,0,0,0,0|1,0,1]=4 8827 B10R0.4 C#CCCCCOCC(=O)N 7a_100000766709_100000187820 [0,2,0,0,0,0|1,0,1]=4 8828 B10R0.4 C#CCCCCOCC(=O)[O-] 34a_100000766709_100020667443 [0,2,0,0,0,0|1,0,1]=4 8829 B10R0.4 C#CCCCCSCC(=C)C 62a_100000748629_100010269958 [0,2,0,0,0,0|1,0,1]=4 8830 B10R0.4 C#CCCCCSCC(=C)C 62a_100010269958_100000211660 [0,2,0,0,0,0|1,0,1]=4 8831 B10R0.4 C#CCCCCSCC(=O)N 62a_100000747473_100010269958 [0,2,0,0,0,0|1,0,1]=4 8832 B10R0.4 C#CCCCCSCC(=O)N 62a_100010269958_100000747473 [0,2,0,0,0,0|1,0,1]=4 8833 B10R0.4 C#CCCCCSCC(=O)[O-] 62a_100010269958_100020667443 [0,2,0,0,0,0|1,0,1]=4 8834 B10R0.4 C#CCCCCSCC(=O)[O-] 62a_100020667443_100010269958 [0,2,0,0,0,0|1,0,1]=4 8835 B10R0.4 C#CCCCNCCC(=C)C 34a_100000718082_100000730704 [0,2,0,0,0,0|1,0,1]=4 8836 B10R0.4 C#CCCCNCCC(=O)N 34a_100000718082_100000731001 [0,2,0,0,0,0|1,0,1]=4 8837 B10R0.4 C#CCCCNCOC(=O)C 34a_100000718082_100009813279 [0,2,0,0,0,0|0,0,2]=4 8838 B10R0.4 C#CCCCOCCC(=C)C 34a_100000215630_100000730704 [0,2,0,0,0,0|1,0,1]=4 8839 B10R0.4 C#CCCCOCCC(=C)C 34a_100000764851_100000695029 [0,2,0,0,0,0|1,0,1]=4 8840 B10R0.4 C#CCCCOCCC(=C)C 7a_100000215630_100000730704 [0,2,0,0,0,0|1,0,1]=4 8841 B10R0.4 C#CCCCOCCC(=O)C 34a_100000759926_100000695029 [0,2,0,0,0,0|0,0,1]=3 8842 B10R0.4 C#CCCCOCCC(=O)C 7a_100000215630_100000053229 [0,2,0,0,0,0|0,0,1]=3 8843 B10R0.4 C#CCCCOCCC(=O)C 7a_100000759926_100011215417 [0,2,0,0,0,0|0,0,1]=3 8844 B10R0.4 C#CCCCOCCC(=O)N 34a_100000215630_100000731001 [0,2,0,0,0,0|1,0,1]=4 8845 B10R0.4 C#CCCCOCCC(=O)N 34a_100000757172_100000695029 [0,2,0,0,0,0|1,0,1]=4 8846 B10R0.4 C#CCCCOCCC(=O)N 7a_100000215630_100000744528 [0,2,0,0,0,0|1,0,1]=4 8847 B10R0.4 C#CCCCOCCC(=O)N 7a_100000757172_100011215417 [0,2,0,0,0,0|1,0,1]=4 8848 B10R0.4 C#CCCCOCOC(=O)C 34a_100000215630_100009813279 [0,2,0,0,0,0|0,0,2]=4 8849 B10R0.4 C#CCCCSCCC(=C)C 62a_100000730704_100011215417 [0,2,0,0,0,0|1,0,1]=4 8850 B10R0.4 C#CCCCSCCC(=C)C 62a_100011215417_100000730704 [0,2,0,0,0,0|1,0,1]=4 8851 B10R0.4 C#CCCCSCCC(=O)C 62a_100000053229_100011215417 [0,2,0,0,0,0|0,0,1]=3 8852 B10R0.4 C#CCCCSCCC(=O)C 62a_100011215417_100000053229 [0,2,0,0,0,0|0,0,1]=3 8853 B10R0.4 C#CCCCSCCC(=O)N 62a_100000744528_100011215417 [0,2,0,0,0,0|1,0,1]=4 8854 B10R0.4 C#CCCCSCCC(=O)N 62a_100011215417_100000744528 [0,2,0,0,0,0|1,0,1]=4 8855 B10R0.4 C#CCCCSCOC(=O)C 62a_100000076356_100011215417 [0,2,0,0,0,0|0,0,2]=4 8856 B10R0.4 C#CCCCSCOC(=O)C 62a_100011215417_100000076356 [0,2,0,0,0,0|0,0,2]=4 8857 B10R0.4 C#CCCNCCCC(=O)C 34a_100000755551_100000685027 [0,2,0,0,0,0|0,0,1]=3 8858 B10R0.4 C#CCCNCCCC(=O)N 34a_100000739312_100000688953 [0,2,0,0,0,0|1,0,1]=4 8859 B10R0.4 C#CCCNCCCC(=O)N 34a_100000755551_100102525003 [0,2,0,0,0,0|1,0,1]=4 8860 B10R0.4 C#CCCNCCCS(=O)C 2230a_200000753449_100000688953 [0,2,0,0,0,0|1,0,1]=4 8861 B10R0.4 C#CCCNCCNC(=O)C 2230a_100000209853_100000688953 [0,2,0,0,0,0|0,0,2]=4 8862 B10R0.4 C#CCCNCCOC(=O)C 34a_100000755551_100009814007 [0,2,0,0,0,0|0,0,2]=4 8863 B10R0.4 C#CCCOCCCC(=O)C 34a_100000759063_100000688953 [0,2,0,0,0,0|0,0,1]=3 8864 B10R0.4 C#CCCOCCCC(=O)C 34a_100011215631_100000685027 [0,2,0,0,0,0|0,0,1]=3 8865 B10R0.4 C#CCCOCCCC(=O)C 7a_100000759063_100000688953 [0,2,0,0,0,0|0,0,1]=3 8866 B10R0.4 C#CCCOCCCC(=O)N 34a_100011215631_100102525003 [0,2,0,0,0,0|1,0,1]=4 8867 B10R0.4 C#CCCOCCNC(=O)C 34a_100000158858_100000688953 [0,2,0,0,0,0|0,0,2]=4 8868 B10R0.4 C#CCCOCCOC(=O)C 34a_100011215631_100009814007 [0,2,0,0,0,0|0,0,2]=4 8869 B10R0.4 C#CCCSCCCC(=O)C 62a_100000688953_100011215641 [0,2,0,0,0,0|0,0,1]=3 8870 B10R0.4 C#CCCSCCCC(=O)C 62a_100011215641_100000688953 [0,2,0,0,0,0|0,0,1]=3 8871 B10R0.4 C#CCCSCCCC(=O)N 62a_100000688953_100102525003 [0,2,0,0,0,0|1,0,1]=4 8872 B10R0.4 C#CCCSCCCC(=O)N 62a_100102525003_100000688953 [0,2,0,0,0,0|1,0,1]=4 8873 B10R0.4 C#CCCSCCNC(=O)C 62a_100000189650_100000688953 [0,2,0,0,0,0|0,0,2]=4 8874 B10R0.4 C#CCCSCCNC(=O)C 62a_100000688953_100000189650 [0,2,0,0,0,0|0,0,2]=4 8875 B10R0.4 C#CCCSCCOC(=O)C 62a_100000688953_100009814007 [0,2,0,0,0,0|0,0,2]=4 8876 B10R0.4 C#CCCSCCOC(=O)C 62a_100009814007_100000688953 [0,2,0,0,0,0|0,0,2]=4 8877 B10R0.4 C#CCNCCCCC(=O)C 34a_100000212058_100009817362 [0,2,0,0,0,0|0,0,1]=3 8878 B10R0.4 C#CCNCCCCC(=O)N 34a_100000696515_100000184674 [0,2,0,0,0,0|1,0,1]=4 8879 B10R0.4 C#CCNCCCNC(=O)C 34a_100000736810_100000184674 [0,2,0,0,0,0|0,0,2]=4 8880 B10R0.4 C#CCNCCCOC(=O)C 34a_100000212058_100000042594 [0,2,0,0,0,0|0,0,2]=4 8881 B10R0.4 C#CCNCCCSC(=O)C 34a_100000212058_100000038929 [0,2,0,0,0,0|0,0,2]=4 8882 B10R0.4 C#CCOCCCCC(=O)C 34a_100000210247_100009817362 [0,2,0,0,0,0|0,0,1]=3 8883 B10R0.4 C#CCOCCCCC(=O)N 34a_100012022536_100000184674 [0,2,0,0,0,0|1,0,1]=4 8884 B10R0.4 C#CCOCCCCC(=O)N 7a_100012022536_100000038162 [0,2,0,0,0,0|1,0,1]=4 8885 B10R0.4 C#CCOCCCNC(=O)C 34a_100000752032_100000184674 [0,2,0,0,0,0|0,0,2]=4 8886 B10R0.4 C#CCOCCCOC(=O)C 34a_100000210247_100000042594 [0,2,0,0,0,0|0,0,2]=4 8887 B10R0.4 C#CCOCCCSC(=O)C 34a_100000210247_100000038929 [0,2,0,0,0,0|0,0,2]=4 8888 B10R0.4 C#CCOCCOCC(=O)C 34a_100000211253_100010402529 [0,2,0,0,0,0|0,0,2]=4 8889 B10R0.4 C#CCSCCCCC(=O)C 62a_100000038162_100000735457 [0,2,0,0,0,0|0,0,1]=3 8890 B10R0.4 C#CCSCCCOC(=O)C 62a_100000038162_100000042594 [0,2,0,0,0,0|0,0,2]=4 8891 B10R0.4 C#CCSCCCSC(=O)C 62a_100000038162_100000038929 [0,2,0,0,0,0|0,0,2]=4 8892 B10R0.4 C/C=C/CCOCCC(=O)N 34a_100016278192_100000731001 [0,2,0,0,0,0|1,0,1]=4 8893 B10R0.4 C/C=C/CCOCOC(=O)C 34a_100016278192_100009813279 [0,2,0,0,0,0|0,0,2]=4 8894 B10R0.4 C/C=C/CNCCCC(=O)N 34a_100000739312_100102629194 [0,2,0,0,0,0|1,0,1]=4 8895 B10R0.4 C/C=C/COCCCC(=O)C 34a_100000759063_100102629194 [0,2,0,0,0,0|0,0,1]=3 8896 B10R0.4 C/C=C/COCCCC(=O)C 34a_100016270725_100000685027 [0,2,0,0,0,0|0,0,1]=3 8897 B10R0.4 C/C=C/COCCCC(=O)C 7a_100000759063_100102629194 [0,2,0,0,0,0|0,0,1]=3 8898 B10R0.4 C/C=C/COCCCC(=O)N 34a_100016270725_100102525003 [0,2,0,0,0,0|1,0,1]=4 8899 B10R0.4 C/C=C/COCCNC(=O)C 34a_100000158858_100102629194 [0,2,0,0,0,0|0,0,2]=4 8900 B10R0.4 C/C=C/COCCOC(=O)C 34a_100016270725_100009814007 [0,2,0,0,0,0|0,0,2]=4 8901 B10R0.4 C/C=C/CSCCCC(=O)C 62a_100011215641_100102629194 [0,2,0,0,0,0|0,0,1]=3 8902 B10R0.4 C/C=C/CSCCCC(=O)C 62a_100102629194_100011215641 [0,2,0,0,0,0|0,0,1]=3 8903 B10R0.4 C/C=C/CSCCCC(=O)N 62a_100102525003_100102629194 [0,2,0,0,0,0|1,0,1]=4 8904 B10R0.4 C/C=C/CSCCCC(=O)N 62a_100102629194_100102525003 [0,2,0,0,0,0|1,0,1]=4 8905 B10R0.4 C/C=C/CSCCNC(=O)C 62a_100000189650_100102629194 [0,2,0,0,0,0|0,0,2]=4 8906 B10R0.4 C/C=C/CSCCNC(=O)C 62a_100102629194_100000189650 [0,2,0,0,0,0|0,0,2]=4 8907 B10R0.4 C/C=C/CSCCOC(=O)C 62a_100009814007_100102629194 [0,2,0,0,0,0|0,0,2]=4 8908 B10R0.4 C/C=C/CSCCOC(=O)C 62a_100102629194_100009814007 [0,2,0,0,0,0|0,0,2]=4 8909 B10R0.4 C=C(Br)CCOCCCCC 34a_100009813270_100000718602 [0,2,0,0,0,0|1,0,1]=4 8910 B10R0.4 C=C(Br)CCOCCCCF 34a_100009813270_100000729493 [0,2,0,0,0,0|1,0,1]=4 8911 B10R0.4 C=C(Br)CCOCCCCO 34a_100009813270_100011216708 [0,2,0,0,0,0|1,0,1]=4 8912 B10R0.4 C=C(Br)CCOCCCOC 34a_100009813270_100000740836 [0,2,0,0,0,0|1,0,1]=4 8913 B10R0.4 C=C(Br)CCOCCOCC 34a_100009813270_100000210147 [0,2,0,0,0,0|1,0,1]=4 8914 B10R0.4 C=C(Br)CCOCCSCC 34a_100009813270_100000757381 [0,2,0,0,0,0|1,0,1]=4 8915 B10R0.4 C=C(C)C=NNCCCCC 4a_100000694160_100000210575 [0,2,0,0,0,0|1,0,1]=4 8916 B10R0.4 C=C(C)CCNCCCCC 2230a_100000209983_100000730704 [0,2,0,0,0,0|1,0,0]=3 8917 B10R0.4 C=C(C)CCNCCCCO 2230a_100000750430_100000730704 [0,2,0,0,0,0|1,0,0]=3 8918 B10R0.4 C=C(C)CCNCCCCO 34a_100000750430_100000730704 [0,2,0,0,0,0|1,0,0]=3 8919 B10R0.4 C=C(C)CCNCCCOC 34a_100150723488_100000730704 [0,2,0,0,0,0|1,0,0]=3 8920 B10R0.4 C=C(C)CCNCCCSC 2230a_100000749238_100000730704 [0,2,0,0,0,0|1,0,0]=3 8921 B10R0.4 C=C(C)CCNCCOCC 2230a_102516460346_100000730704 [0,2,0,0,0,0|1,0,0]=3 8922 B10R0.4 C=C(C)CCNCCOCC 34a_102516460346_100000730704 [0,2,0,0,0,0|1,0,0]=3 8923 B10R0.4 C=C(C)CCNCCSCC 2230a_100000106463_100000730704 [0,2,0,0,0,0|1,0,0]=3 8924 B10R0.4 C=C(C)CCOC/C=C\CC 34a_100000764851_100103147603 [0,2,0,0,0,0|1,0,1]=4 8925 B10R0.4 C=C(C)CCOC/C=C\CC 34a_100016268518_100000730704 [0,2,0,0,0,0|1,0,1]=4 8926 B10R0.4 C=C(C)CCOCC#CCC 34a_100000032950_100000730704 [0,2,0,0,0,0|1,0,1]=4 8927 B10R0.4 C=C(C)CCOCC#CCC 34a_100000764851_100009813939 [0,2,0,0,0,0|1,0,1]=4 8928 B10R0.4 C=C(C)CCOCC/C=C/C 34a_100016278192_100000730704 [0,2,0,0,0,0|1,0,1]=4 8929 B10R0.4 C=C(C)CCOCCC#CC 34a_100000750427_100000730704 [0,2,0,0,0,0|1,0,1]=4 8930 B10R0.4 C=C(C)CCOCCCCBr 34a_100011216708_100000730704 [0,2,0,0,0,0|1,0,0]=3 8931 B10R0.4 C=C(C)CCOCCCCC 34a_100000210253_100000730704 [0,2,0,0,0,0|1,0,0]=3 8932 B10R0.4 C=C(C)CCOCCCCC 34a_100000764851_100000718602 [0,2,0,0,0,0|1,0,0]=3 8933 B10R0.4 C=C(C)CCOCCCCC 7a_100000210253_100000730704 [0,2,0,0,0,0|1,0,0]=3 8934 B10R0.4 C=C(C)CCOCCCCCl 34a_100000210776_100000730704 [0,2,0,0,0,0|1,0,0]=3 8935 B10R0.4 C=C(C)CCOCCCCCl 7a_100000210776_100000730704 [0,2,0,0,0,0|1,0,0]=3 8936 B10R0.4 C=C(C)CCOCCCCF 34a_100000764851_100000729493 [0,2,0,0,0,0|1,0,0]=3 8937 B10R0.4 C=C(C)CCOCCCCF 34a_100011995726_100000730704 [0,2,0,0,0,0|1,0,0]=3 8938 B10R0.4 C=C(C)CCOCCCCF 7a_100011995726_100000730704 [0,2,0,0,0,0|1,0,0]=3 8939 B10R0.4 C=C(C)CCOCCCCI 34a_200012148704_100000730704 [0,2,0,0,0,0|1,0,0]=3 8940 B10R0.4 C=C(C)CCOCCCCN 34a_100000750430_100000730704 [0,2,0,0,0,0|1,0,0]=3 8941 B10R0.4 C=C(C)CCOCCCCO 34a_100000764851_100011216708 [0,2,0,0,0,0|1,0,0]=3 8942 B10R0.4 C=C(C)CCOCCCNC 34a_100000213112_100000730704 [0,2,0,0,0,0|1,0,0]=3 8943 B10R0.4 C=C(C)CCOCCCOC 34a_100000740835_100000730704 [0,2,0,0,0,0|1,0,0]=3 8944 B10R0.4 C=C(C)CCOCCCOC 34a_100000764851_100000740836 [0,2,0,0,0,0|1,0,0]=3 8945 B10R0.4 C=C(C)CCOCCCSC 34a_100000690336_100000730704 [0,2,0,0,0,0|1,0,0]=3 8946 B10R0.4 C=C(C)CCOCCCSC 7a_100000690336_100000730704 [0,2,0,0,0,0|1,0,0]=3 8947 B10R0.4 C=C(C)CCOCCOCC 34a_100000210136_100000730704 [0,2,0,0,0,0|1,0,0]=3 8948 B10R0.4 C=C(C)CCOCCOCC 34a_100000764851_100000210147 [0,2,0,0,0,0|1,0,0]=3 8949 B10R0.4 C=C(C)CCOCCOCC 7a_100000210136_100000730704 [0,2,0,0,0,0|1,0,0]=3 8950 B10R0.4 C=C(C)CCOCCSCC 34a_100000212035_100000730704 [0,2,0,0,0,0|1,0,0]=3 8951 B10R0.4 C=C(C)CCOCCSCC 34a_100000764851_100000757381 [0,2,0,0,0,0|1,0,0]=3 8952 B10R0.4 C=C(C)CCOCCSCC 7a_100000212035_100000730704 [0,2,0,0,0,0|1,0,0]=3 8953 B10R0.4 C=C(C)CCSC/C=C\CC 62a_100000730704_100103147603 [0,2,0,0,0,0|1,0,1]=4 8954 B10R0.4 C=C(C)CCSC/C=C\CC 62a_100103147603_100000730704 [0,2,0,0,0,0|1,0,1]=4 8955 B10R0.4 C=C(C)CCSCC#CCC 62a_100000730704_100009813939 [0,2,0,0,0,0|1,0,1]=4 8956 B10R0.4 C=C(C)CCSCC#CCC 62a_100009813939_100000730704 [0,2,0,0,0,0|1,0,1]=4 8957 B10R0.4 C=C(C)CCSCCCC#N 62a_100000687738_100000730704 [0,2,0,0,0,0|1,0,1]=4 8958 B10R0.4 C=C(C)CCSCCCC#N 62a_100000730704_100000687738 [0,2,0,0,0,0|1,0,1]=4 8959 B10R0.4 C=C(C)CCSCCCC=O 62a_100000730704_200011292268 [0,2,0,0,0,0|1,0,1]=4 8960 B10R0.4 C=C(C)CCSCCCC=O 62a_200011292268_100000730704 [0,2,0,0,0,0|1,0,1]=4 8961 B10R0.4 C=C(C)CCSCCCCC 62a_100000210326_100000730704 [0,2,0,0,0,0|1,0,0]=3 8962 B10R0.4 C=C(C)CCSCCCCC 62a_100000730704_100000210326 [0,2,0,0,0,0|1,0,0]=3 8963 B10R0.4 C=C(C)CCSCCCCF 62a_100000729493_100000730704 [0,2,0,0,0,0|1,0,0]=3 8964 B10R0.4 C=C(C)CCSCCCCF 62a_100000730704_100000729493 [0,2,0,0,0,0|1,0,0]=3 8965 B10R0.4 C=C(C)CCSCCCCO 62a_100000210776_100000730704 [0,2,0,0,0,0|1,0,0]=3 8966 B10R0.4 C=C(C)CCSCCCCO 62a_100000730704_100000210776 [0,2,0,0,0,0|1,0,0]=3 8967 B10R0.4 C=C(C)CCSCCCOC 62a_100000709357_100000730704 [0,2,0,0,0,0|1,0,0]=3 8968 B10R0.4 C=C(C)CCSCCCOC 62a_100000730704_100000709357 [0,2,0,0,0,0|1,0,0]=3 8969 B10R0.4 C=C(C)CCSCCOCC 62a_100000210147_100000730704 [0,2,0,0,0,0|1,0,0]=3 8970 B10R0.4 C=C(C)CCSCCOCC 62a_100000730704_100011215890 [0,2,0,0,0,0|1,0,0]=3 8971 B10R0.4 C=C(C)CCSCCSCC 62a_100000730704_100000757381 [0,2,0,0,0,0|1,0,0]=3 8972 B10R0.4 C=C(C)CCSCCSCC 62a_100000757381_100000730704 [0,2,0,0,0,0|1,0,0]=3 8973 B10R0.4 C=C(C)CNCCCCCC 2230a_100000210581_100000748629 [0,2,0,0,0,0|1,0,0]=3 8974 B10R0.4 C=C(C)CNCCCCCO 2230a_100000762737_100000748629 [0,2,0,0,0,0|1,0,0]=3 8975 B10R0.4 C=C(C)CNCCCCCO 34a_100000762737_100000748629 [0,2,0,0,0,0|1,0,0]=3 8976 B10R0.4 C=C(C)CNCCCOCC 2230a_100000210961_100000748629 [0,2,0,0,0,0|1,0,0]=3 8977 B10R0.4 C=C(C)CNCCCOCC 34a_100000210961_100000748629 [0,2,0,0,0,0|1,0,0]=3 8978 B10R0.4 C=C(C)CNCCOCCC 2230a_100161115042_100000748629 [0,2,0,0,0,0|1,0,0]=3 8979 B10R0.4 C=C(C)CNCCOCCC 34a_100161115042_100000748629 [0,2,0,0,0,0|1,0,0]=3 8980 B10R0.4 C=C(C)CNCCOCCO 2230a_100000211614_100000748629 [0,2,0,0,0,0|2,0,0]=4 8981 B10R0.4 C=C(C)CNCCOCCO 34a_100000211614_100000748629 [0,2,0,0,0,0|2,0,0]=4 8982 B10R0.4 C=C(C)CNCCSCCC 2230a_100020603323_100000748629 [0,2,0,0,0,0|1,0,0]=3 8983 B10R0.4 C=C(C)CNCCSCCO 2230a_100011219999_100000748629 [0,2,0,0,0,0|2,0,0]=4 8984 B10R0.4 C=C(C)COC/C=C/CCC 34a_100016278788_100000748629 [0,2,0,0,0,0|1,0,1]=4 8985 B10R0.4 C=C(C)COC/C=C/CCC 7a_100016278788_100000748629 [0,2,0,0,0,0|1,0,1]=4 8986 B10R0.4 C=C(C)COCC#CCCC 34a_100000034806_100000748629 [0,2,0,0,0,0|1,0,1]=4 8987 B10R0.4 C=C(C)COCC#CCCC 7a_100000034806_100000748629 [0,2,0,0,0,0|1,0,1]=4 8988 B10R0.4 C=C(C)COCC/C=C\CC 34a_100000210245_100015370543 [0,2,0,0,0,0|1,0,1]=4 8989 B10R0.4 C=C(C)COCC/C=C\CC 34a_100016288707_100000748629 [0,2,0,0,0,0|1,0,1]=4 8990 B10R0.4 C=C(C)COCC/C=C\CC 7a_100016288707_100000748629 [0,2,0,0,0,0|1,0,1]=4 8991 B10R0.4 C=C(C)COCCC#CCC 34a_100000036655_100000748629 [0,2,0,0,0,0|1,0,1]=4 8992 B10R0.4 C=C(C)COCCC#CCC 7a_100000036655_100000748629 [0,2,0,0,0,0|1,0,1]=4 8993 B10R0.4 C=C(C)COCCCC=CC 34a_100020645299_100000748629 [0,2,0,0,0,0|1,0,1]=4 8994 B10R0.4 C=C(C)COCCCCCBr 34a_100000746331_100000748629 [0,2,0,0,0,0|1,0,0]=3 8995 B10R0.4 C=C(C)COCCCCCBr 7a_100000746331_100000748629 [0,2,0,0,0,0|1,0,0]=3 8996 B10R0.4 C=C(C)COCCCCCC 34a_100000210245_100000210314 [0,2,0,0,0,0|1,0,0]=3 8997 B10R0.4 C=C(C)COCCCCCC 34a_100000210259_100000748629 [0,2,0,0,0,0|1,0,0]=3 8998 B10R0.4 C=C(C)COCCCCCC 7a_100000210259_100000748629 [0,2,0,0,0,0|1,0,0]=3 8999 B10R0.4 C=C(C)COCCCCCCl 34a_100000746330_100000748629 [0,2,0,0,0,0|1,0,0]=3 9000 B10R0.4 C=C(C)COCCCCCCl 7a_100000746330_100000748629 [0,2,0,0,0,0|1,0,0]=3 9001 B10R0.4 C=C(C)COCCCCCF 34a_100000210245_100000729378 [0,2,0,0,0,0|1,0,0]=3 9002 B10R0.4 C=C(C)COCCCCCI 34a_200012148887_100000748629 [0,2,0,0,0,0|1,0,0]=3 9003 B10R0.4 C=C(C)COCCCCCI 7a_200012148887_100000748629 [0,2,0,0,0,0|1,0,0]=3 9004 B10R0.4 C=C(C)COCCCCCN 34a_100000762737_100000748629 [0,2,0,0,0,0|1,0,0]=3 9005 B10R0.4 C=C(C)COCCCCCO 34a_100000210245_100000746330 [0,2,0,0,0,0|1,0,0]=3 9006 B10R0.4 C=C(C)COCCCCOC 34a_100000210245_100000755781 [0,2,0,0,0,0|1,0,0]=3 9007 B10R0.4 C=C(C)COCCCCOC 34a_100000740925_100000748629 [0,2,0,0,0,0|1,0,0]=3 9008 B10R0.4 C=C(C)COCCCCSC 34a_100011217163_100000748629 [0,2,0,0,0,0|1,0,0]=3 9009 B10R0.4 C=C(C)COCCCCSC 7a_100011217163_100000748629 [0,2,0,0,0,0|1,0,0]=3 9010 B10R0.4 C=C(C)COCCCOCC 34a_100000210245_100012232248 [0,2,0,0,0,0|1,0,0]=3 9011 B10R0.4 C=C(C)COCCCOCC 34a_100000757476_100000748629 [0,2,0,0,0,0|1,0,0]=3 9012 B10R0.4 C=C(C)COCCCOCC 7a_100000757476_100000748629 [0,2,0,0,0,0|1,0,0]=3 9013 B10R0.4 C=C(C)COCCCSCC 34a_100011216438_100000748629 [0,2,0,0,0,0|1,0,0]=3 9014 B10R0.4 C=C(C)COCCCSCC 7a_100011216438_100000748629 [0,2,0,0,0,0|1,0,0]=3 9015 B10R0.4 C=C(C)COCCOCCBr 34a_100000692535_100000748629 [0,2,0,0,0,0|2,0,0]=4 9016 B10R0.4 C=C(C)COCCOCCBr 7a_100000692535_100000748629 [0,2,0,0,0,0|2,0,0]=4 9017 B10R0.4 C=C(C)COCCOCCC 34a_100000210245_100011215938 [0,2,0,0,0,0|1,0,0]=3 9018 B10R0.4 C=C(C)COCCOCCC 34a_100000752267_100000748629 [0,2,0,0,0,0|1,0,0]=3 9019 B10R0.4 C=C(C)COCCOCCC 7a_100000752267_100000748629 [0,2,0,0,0,0|1,0,0]=3 9020 B10R0.4 C=C(C)COCCOCCCl 34a_100011215305_100000748629 [0,2,0,0,0,0|2,0,0]=4 9021 B10R0.4 C=C(C)COCCOCCCl 7a_100011215305_100000748629 [0,2,0,0,0,0|2,0,0]=4 9022 B10R0.4 C=C(C)COCCOCCF 34a_200015357709_100000748629 [0,2,0,0,0,0|2,0,0]=4 9023 B10R0.4 C=C(C)COCCOCCF 7a_200015357709_100000748629 [0,2,0,0,0,0|2,0,0]=4 9024 B10R0.4 C=C(C)COCCOCCI 34a_100012149058_100000748629 [0,2,0,0,0,0|2,0,0]=4 9025 B10R0.4 C=C(C)COCCOCCI 7a_100012149058_100000748629 [0,2,0,0,0,0|2,0,0]=4 9026 B10R0.4 C=C(C)COCCOCCN 34a_100000211614_100000748629 [0,2,0,0,0,0|2,0,0]=4 9027 B10R0.4 C=C(C)COCCOCCO 34a_100000210245_100000692535 [0,2,0,0,0,0|2,0,0]=4 9028 B10R0.4 C=C(C)COCCSCCC 34a_200000230433_100000748629 [0,2,0,0,0,0|1,0,0]=3 9029 B10R0.4 C=C(C)COCCSCCC 7a_200000230433_100000748629 [0,2,0,0,0,0|1,0,0]=3 9030 B10R0.4 C=C(C)COCOCCCC 34a_100000210245_100011995733 [0,2,0,0,0,0|1,0,0]=3 9031 B10R0.4 C=C(C)CSCC/C=C\CC 62a_100000748629_100015370543 [0,2,0,0,0,0|1,0,1]=4 9032 B10R0.4 C=C(C)CSCC/C=C\CC 62a_100015370543_100000211660 [0,2,0,0,0,0|1,0,1]=4 9033 B10R0.4 C=C(C)CSCCCCC#N 62a_100000748629_100000211819 [0,2,0,0,0,0|1,0,1]=4 9034 B10R0.4 C=C(C)CSCCCCC#N 62a_100011219923_100000211660 [0,2,0,0,0,0|1,0,1]=4 9035 B10R0.4 C=C(C)CSCCCCC=O 62a_100000139335_100000211660 [0,2,0,0,0,0|1,0,1]=4 9036 B10R0.4 C=C(C)CSCCCCC=O 62a_100000748629_100000139335 [0,2,0,0,0,0|1,0,1]=4 9037 B10R0.4 C=C(C)CSCCCCCC 62a_100000210314_100000211660 [0,2,0,0,0,0|1,0,0]=3 9038 B10R0.4 C=C(C)CSCCCCCC 62a_100000748629_100000210757 [0,2,0,0,0,0|1,0,0]=3 9039 B10R0.4 C=C(C)CSCCCCCF 62a_100000729378_100000211660 [0,2,0,0,0,0|1,0,0]=3 9040 B10R0.4 C=C(C)CSCCCCCF 62a_100000748629_100000729378 [0,2,0,0,0,0|1,0,0]=3 9041 B10R0.4 C=C(C)CSCCCCCO 62a_100000746330_100000211660 [0,2,0,0,0,0|1,0,0]=3 9042 B10R0.4 C=C(C)CSCCCCCO 62a_100000748629_100000746330 [0,2,0,0,0,0|1,0,0]=3 9043 B10R0.4 C=C(C)CSCCCCOC 62a_100000730899_100000211660 [0,2,0,0,0,0|1,0,0]=3 9044 B10R0.4 C=C(C)CSCCCCOC 62a_100000748629_100000730899 [0,2,0,0,0,0|1,0,0]=3 9045 B10R0.4 C=C(C)CSCCCOCC 62a_100000748629_100012232248 [0,2,0,0,0,0|1,0,0]=3 9046 B10R0.4 C=C(C)CSCCCOCC 62a_100012232248_100000211660 [0,2,0,0,0,0|1,0,0]=3 9047 B10R0.4 C=C(C)CSCCOCCC 62a_100000748629_100011215938 [0,2,0,0,0,0|1,0,0]=3 9048 B10R0.4 C=C(C)CSCCOCCC 62a_100011215938_100000211660 [0,2,0,0,0,0|1,0,0]=3 9049 B10R0.4 C=C(C)CSCCOCCO 62a_100000748629_100011215305 [0,2,0,0,0,0|2,0,0]=4 9050 B10R0.4 C=C(C)CSCCOCCO 62a_100011215305_100000211660 [0,2,0,0,0,0|2,0,0]=4 9051 B10R0.4 C=C(C)CSCOCCCC 62a_100000748629_100011995733 [0,2,0,0,0,0|1,0,0]=3 9052 B10R0.4 C=C(C)CSCOCCCC 62a_100011995733_100000211660 [0,2,0,0,0,0|1,0,0]=3 9053 B10R0.4 C=C(C)CSCOCCOC 62a_100000231047_100000211660 [0,2,0,0,0,0|2,0,0]=4 9054 B10R0.4 C=C(C)CSCOCCOC 62a_100000748629_100000231047 [0,2,0,0,0,0|2,0,0]=4 9055 B10R0.4 C=C(F)CNCCCCCC 2230a_100000210581_100009893438 [0,2,0,0,0,0|1,0,1]=4 9056 B10R0.4 C=C(F)CNCCCCCO 2230a_100000762737_100009893438 [0,2,0,0,0,0|1,0,1]=4 9057 B10R0.4 C=C(F)CNCCCCCO 34a_100000762737_100009893438 [0,2,0,0,0,0|1,0,1]=4 9058 B10R0.4 C=C(F)CNCCCOCC 2230a_100000210961_100009893438 [0,2,0,0,0,0|1,0,1]=4 9059 B10R0.4 C=C(F)CNCCCOCC 34a_100000210961_100009893438 [0,2,0,0,0,0|1,0,1]=4 9060 B10R0.4 C=C(F)CNCCOCCC 2230a_100161115042_100009893438 [0,2,0,0,0,0|1,0,1]=4 9061 B10R0.4 C=C(F)CNCCOCCC 34a_100161115042_100009893438 [0,2,0,0,0,0|1,0,1]=4 9062 B10R0.4 C=C(F)CNCCSCCC 2230a_100020603323_100009893438 [0,2,0,0,0,0|1,0,1]=4 9063 B10R0.4 C=C(F)COCCCCCBr 34a_100000746331_100009893438 [0,2,0,0,0,0|1,0,1]=4 9064 B10R0.4 C=C(F)COCCCCCBr 7a_100000746331_100000042424 [0,2,0,0,0,0|1,0,1]=4 9065 B10R0.4 C=C(F)COCCCCCC 34a_100000210259_100009893438 [0,2,0,0,0,0|1,0,1]=4 9066 B10R0.4 C=C(F)COCCCCCC 34a_200010262243_100000210314 [0,2,0,0,0,0|1,0,1]=4 9067 B10R0.4 C=C(F)COCCCCCC 7a_100000210259_100000042424 [0,2,0,0,0,0|1,0,1]=4 9068 B10R0.4 C=C(F)COCCCCCCl 34a_100000746330_100009893438 [0,2,0,0,0,0|1,0,1]=4 9069 B10R0.4 C=C(F)COCCCCCCl 7a_100000746330_100000042424 [0,2,0,0,0,0|1,0,1]=4 9070 B10R0.4 C=C(F)COCCCCCF 34a_200010262243_100000729378 [0,2,0,0,0,0|1,0,1]=4 9071 B10R0.4 C=C(F)COCCCCCI 34a_200012148887_100009893438 [0,2,0,0,0,0|1,0,1]=4 9072 B10R0.4 C=C(F)COCCCCCI 7a_200012148887_100000042424 [0,2,0,0,0,0|1,0,1]=4 9073 B10R0.4 C=C(F)COCCCCCN 34a_100000762737_100009893438 [0,2,0,0,0,0|1,0,1]=4 9074 B10R0.4 C=C(F)COCCCCCO 34a_200010262243_100000746330 [0,2,0,0,0,0|1,0,1]=4 9075 B10R0.4 C=C(F)COCCCCOC 34a_100000740925_100009893438 [0,2,0,0,0,0|1,0,1]=4 9076 B10R0.4 C=C(F)COCCCCOC 34a_200010262243_100000755781 [0,2,0,0,0,0|1,0,1]=4 9077 B10R0.4 C=C(F)COCCCCSC 34a_100011217163_100009893438 [0,2,0,0,0,0|1,0,1]=4 9078 B10R0.4 C=C(F)COCCCCSC 7a_100011217163_100000042424 [0,2,0,0,0,0|1,0,1]=4 9079 B10R0.4 C=C(F)COCCCOCC 34a_100000757476_100009893438 [0,2,0,0,0,0|1,0,1]=4 9080 B10R0.4 C=C(F)COCCCOCC 34a_200010262243_100012232248 [0,2,0,0,0,0|1,0,1]=4 9081 B10R0.4 C=C(F)COCCCOCC 7a_100000757476_100000042424 [0,2,0,0,0,0|1,0,1]=4 9082 B10R0.4 C=C(F)COCCCSCC 34a_100011216438_100009893438 [0,2,0,0,0,0|1,0,1]=4 9083 B10R0.4 C=C(F)COCCCSCC 7a_100011216438_100000042424 [0,2,0,0,0,0|1,0,1]=4 9084 B10R0.4 C=C(F)COCCOCCC 34a_100000752267_100009893438 [0,2,0,0,0,0|1,0,1]=4 9085 B10R0.4 C=C(F)COCCOCCC 34a_200010262243_100011215938 [0,2,0,0,0,0|1,0,1]=4 9086 B10R0.4 C=C(F)COCCOCCC 7a_100000752267_100000042424 [0,2,0,0,0,0|1,0,1]=4 9087 B10R0.4 C=C(F)COCCSCCC 34a_200000230433_100009893438 [0,2,0,0,0,0|1,0,1]=4 9088 B10R0.4 C=C(F)COCCSCCC 7a_200000230433_100000042424 [0,2,0,0,0,0|1,0,1]=4 9089 B10R0.4 C=C(F)COCOCCCC 34a_200010262243_100011995733 [0,2,0,0,0,0|1,0,1]=4 9090 B10R0.4 C=C(F)CSCCCCCC 62a_100000042424_100000210757 [0,2,0,0,0,0|1,0,1]=4 9091 B10R0.4 C=C(F)CSCCCCCC 62a_100000210314_100000042424 [0,2,0,0,0,0|1,0,1]=4 9092 B10R0.4 C=C(F)CSCCCCCF 62a_100000042424_100000729378 [0,2,0,0,0,0|1,0,1]=4 9093 B10R0.4 C=C(F)CSCCCCCF 62a_100000729378_100000042424 [0,2,0,0,0,0|1,0,1]=4 9094 B10R0.4 C=C(F)CSCCCCCO 62a_100000042424_100000746330 [0,2,0,0,0,0|1,0,1]=4 9095 B10R0.4 C=C(F)CSCCCCCO 62a_100000746330_100000042424 [0,2,0,0,0,0|1,0,1]=4 9096 B10R0.4 C=C(F)CSCCCCOC 62a_100000042424_100000730899 [0,2,0,0,0,0|1,0,1]=4 9097 B10R0.4 C=C(F)CSCCCCOC 62a_100000730899_100000042424 [0,2,0,0,0,0|1,0,1]=4 9098 B10R0.4 C=C(F)CSCCCOCC 62a_100000042424_100012232248 [0,2,0,0,0,0|1,0,1]=4 9099 B10R0.4 C=C(F)CSCCCOCC 62a_100012232248_100000042424 [0,2,0,0,0,0|1,0,1]=4 9100 B10R0.4 C=C(F)CSCCOCCC 62a_100000042424_100011215938 [0,2,0,0,0,0|1,0,1]=4 9101 B10R0.4 C=C(F)CSCCOCCC 62a_100011215938_100000042424 [0,2,0,0,0,0|1,0,1]=4 9102 B10R0.4 C=C(F)CSCOCCCC 62a_100000042424_100011995733 [0,2,0,0,0,0|1,0,1]=4 9103 B10R0.4 C=C(F)CSCOCCCC 62a_100011995733_100000042424 [0,2,0,0,0,0|1,0,1]=4 9104 B10R0.4 C=CCCCCCCC(=O)C 1458a_100000070787_100011215473 [0,2,0,0,0,0|0,0,0]=2 9105 B10R0.4 C=CCCCCCCC(=O)C 1458a_100011809334_200000210301 [0,2,0,0,0,0|0,0,0]=2 9106 B10R0.4 C=CCCCCCCC(=O)[13CH3] 1458a_100011809334_200025704644 [0,2,0,0,0,0|0,0,0]=2 9107 B10R0.4 C=CCCCCCCN(C)C 2230a_100102631434_100011215473 [0,2,0,0,0,0|2,0,0]=4 9108 B10R0.4 C=CCCCCCCN(C)C 269982a_100102631434_100011215473 [0,2,0,0,0,0|2,0,0]=4 9109 B10R0.4 C=CCCCCNCC(=C)C 2230a_100000703577_100000748629 [0,2,0,0,0,0|1,0,1]=4 9110 B10R0.4 C=CCCCCNCC(=C)C 34a_100000703577_100000748629 [0,2,0,0,0,0|1,0,1]=4 9111 B10R0.4 C=CCCCCNCC(=O)N 2230a_100000703577_100000747473 [0,2,0,0,0,0|1,0,1]=4 9112 B10R0.4 C=CCCCCNCC(=O)N 2230a_100000711301_100011215482 [0,2,0,0,0,0|1,0,1]=4 9113 B10R0.4 C=CCCCCNCC(=O)N 34a_100000703577_100000187820 [0,2,0,0,0,0|1,0,1]=4 9114 B10R0.4 C=CCCCCNCC(=O)O 269956a_100016091260_100011215482 [0,2,0,0,0,0|1,0,1]=4 9115 B10R0.4 C=CCCCCNCC(=O)[O-] 34a_100000703577_100020667443 [0,2,0,0,0,0|1,0,1]=4 9116 B10R0.4 C=CCCCCOCC(=C)C 34a_100000210245_100011215482 [0,2,0,0,0,0|1,0,1]=4 9117 B10R0.4 C=CCCCCOCC(=C)C 34a_100000766645_100000748629 [0,2,0,0,0,0|1,0,1]=4 9118 B10R0.4 C=CCCCCOCC(=C)C 7a_100000766645_100000748629 [0,2,0,0,0,0|1,0,1]=4 9119 B10R0.4 C=CCCCCOCC(=O)C 34a_100000211253_100011215482 [0,2,0,0,0,0|0,0,1]=3 9120 B10R0.4 C=CCCCCOCC(=O)N 34a_100000766645_100000187820 [0,2,0,0,0,0|1,0,1]=4 9121 B10R0.4 C=CCCCCOCC(=O)N 7a_100000766645_100000187820 [0,2,0,0,0,0|1,0,1]=4 9122 B10R0.4 C=CCCCCOCC(=O)[O-] 34a_100000766645_100020667443 [0,2,0,0,0,0|1,0,1]=4 9123 B10R0.4 C=CCCCCSCC(=C)C 62a_100000748629_100011215482 [0,2,0,0,0,0|1,0,1]=4 9124 B10R0.4 C=CCCCCSCC(=C)C 62a_100011215482_100000211660 [0,2,0,0,0,0|1,0,1]=4 9125 B10R0.4 C=CCCCCSCC(=O)N 62a_100000747473_100011215482 [0,2,0,0,0,0|1,0,1]=4 9126 B10R0.4 C=CCCCCSCC(=O)N 62a_100011215482_100000747473 [0,2,0,0,0,0|1,0,1]=4 9127 B10R0.4 C=CCCCCSCC(=O)[O-] 62a_100011215482_100020667443 [0,2,0,0,0,0|1,0,1]=4 9128 B10R0.4 C=CCCCCSCC(=O)[O-] 62a_100020667443_100011215482 [0,2,0,0,0,0|1,0,1]=4 9129 B10R0.4 C=CCCCNCCC(=C)C 2230a_100000700776_100000730704 [0,2,0,0,0,0|1,0,1]=4 9130 B10R0.4 C=CCCCNCCC(=C)C 34a_100000700776_100000730704 [0,2,0,0,0,0|1,0,1]=4 9131 B10R0.4 C=CCCCNCCC(=O)N 2230a_100000700776_100000744528 [0,2,0,0,0,0|1,0,1]=4 9132 B10R0.4 C=CCCCNCCC(=O)N 34a_100000700776_100000731001 [0,2,0,0,0,0|1,0,1]=4 9133 B10R0.4 C=CCCCNCOC(=O)C 34a_100000700776_100009813279 [0,2,0,0,0,0|0,0,2]=4 9134 B10R0.4 C=CCCCOCCC(=C)C 34a_100000758997_100000730704 [0,2,0,0,0,0|1,0,1]=4 9135 B10R0.4 C=CCCCOCCC(=C)C 34a_100000764851_100000757094 [0,2,0,0,0,0|1,0,1]=4 9136 B10R0.4 C=CCCCOCCC(=C)C 7a_100000758997_100000730704 [0,2,0,0,0,0|1,0,1]=4 9137 B10R0.4 C=CCCCOCCC(=O)C 34a_100000759926_100000757094 [0,2,0,0,0,0|0,0,1]=3 9138 B10R0.4 C=CCCCOCCC(=O)C 7a_100000758997_100000053229 [0,2,0,0,0,0|0,0,1]=3 9139 B10R0.4 C=CCCCOCCC(=O)C 7a_100000759926_100000757094 [0,2,0,0,0,0|0,0,1]=3 9140 B10R0.4 C=CCCCOCCC(=O)N 34a_100000757172_100000757094 [0,2,0,0,0,0|1,0,1]=4 9141 B10R0.4 C=CCCCOCCC(=O)N 34a_100000758997_100000731001 [0,2,0,0,0,0|1,0,1]=4 9142 B10R0.4 C=CCCCOCCC(=O)N 7a_100000757172_100000757094 [0,2,0,0,0,0|1,0,1]=4 9143 B10R0.4 C=CCCCOCCC(=O)N 7a_100000758997_100000744528 [0,2,0,0,0,0|1,0,1]=4 9144 B10R0.4 C=CCCCOCOC(=O)C 34a_100000758997_100009813279 [0,2,0,0,0,0|0,0,2]=4 9145 B10R0.4 C=CCCCSCCC(=C)C 62a_100000730704_100000757094 [0,2,0,0,0,0|1,0,1]=4 9146 B10R0.4 C=CCCCSCCC(=C)C 62a_100011713584_100000730704 [0,2,0,0,0,0|1,0,1]=4 9147 B10R0.4 C=CCCCSCCC(=O)C 62a_100000053229_100000757094 [0,2,0,0,0,0|0,0,1]=3 9148 B10R0.4 C=CCCCSCCC(=O)C 62a_100011713584_100000053229 [0,2,0,0,0,0|0,0,1]=3 9149 B10R0.4 C=CCCCSCCC(=O)N 62a_100000744528_100000757094 [0,2,0,0,0,0|1,0,1]=4 9150 B10R0.4 C=CCCCSCCC(=O)N 62a_100011713584_100000744528 [0,2,0,0,0,0|1,0,1]=4 9151 B10R0.4 C=CCCCSCOC(=O)C 62a_100000076356_100000757094 [0,2,0,0,0,0|0,0,2]=4 9152 B10R0.4 C=CCCCSCOC(=O)C 62a_100011713584_100000076356 [0,2,0,0,0,0|0,0,2]=4 9153 B10R0.4 C=CCCNCCCC(=O)N 34a_100000739312_100000754431 [0,2,0,0,0,0|1,0,1]=4 9154 B10R0.4 C=CCCNCCCS(=O)C 2230a_200000753449_100000754431 [0,2,0,0,0,0|1,0,1]=4 9155 B10R0.4 C=CCCNCCNC(=O)C 2230a_100000209853_100000754431 [0,2,0,0,0,0|0,0,2]=4 9156 B10R0.4 C=CCCNCCNC(=O)C 2230a_100015191253_100000189650 [0,2,0,0,0,0|0,0,2]=4 9157 B10R0.4 C=CCCOCCCC(=O)C 34a_100000759063_100000754431 [0,2,0,0,0,0|0,0,1]=3 9158 B10R0.4 C=CCCOCCCC(=O)C 34a_100011205117_100000685027 [0,2,0,0,0,0|0,0,1]=3 9159 B10R0.4 C=CCCOCCCC(=O)C 7a_100000759063_100000754431 [0,2,0,0,0,0|0,0,1]=3 9160 B10R0.4 C=CCCOCCCC(=O)N 34a_100011205117_100102525003 [0,2,0,0,0,0|1,0,1]=4 9161 B10R0.4 C=CCCOCCNC(=O)C 34a_100000158858_100000754431 [0,2,0,0,0,0|0,0,2]=4 9162 B10R0.4 C=CCCOCCOC(=O)C 34a_100011205117_100009814007 [0,2,0,0,0,0|0,0,2]=4 9163 B10R0.4 C=CCCSCCCC(=O)C 62a_100000754431_100011215641 [0,2,0,0,0,0|0,0,1]=3 9164 B10R0.4 C=CCCSCCCC(=O)C 62a_100011215641_100000754431 [0,2,0,0,0,0|0,0,1]=3 9165 B10R0.4 C=CCCSCCCC(=O)N 62a_100000754431_100102525003 [0,2,0,0,0,0|1,0,1]=4 9166 B10R0.4 C=CCCSCCCC(=O)N 62a_100102525003_100000754431 [0,2,0,0,0,0|1,0,1]=4 9167 B10R0.4 C=CCCSCCNC(=O)C 62a_100000189650_100000754431 [0,2,0,0,0,0|0,0,2]=4 9168 B10R0.4 C=CCCSCCNC(=O)C 62a_100000754431_100000189650 [0,2,0,0,0,0|0,0,2]=4 9169 B10R0.4 C=CCCSCCOC(=O)C 62a_100000754431_100009814007 [0,2,0,0,0,0|0,0,2]=4 9170 B10R0.4 C=CCCSCCOC(=O)C 62a_100009814007_100000754431 [0,2,0,0,0,0|0,0,2]=4 9171 B10R0.4 C=CCNCCCCC(=O)N 34a_100000696515_100015514636 [0,2,0,0,0,0|1,0,1]=4 9172 B10R0.4 C=CCNCCCNC(=O)C 34a_100000736810_100015514636 [0,2,0,0,0,0|0,0,2]=4 9173 B10R0.4 C=CCNCCCSC(=O)C 2230a_100020586998_100000038929 [0,2,0,0,0,0|0,0,2]=4 9174 B10R0.4 C=CCOCCCCC(=O)C 34a_200000210373_100009817362 [0,2,0,0,0,0|0,0,1]=3 9175 B10R0.4 C=CCOCCCCC(=O)N 34a_100012022536_100015514636 [0,2,0,0,0,0|1,0,1]=4 9176 B10R0.4 C=CCOCCCCC(=O)N 7a_100012022536_100015514636 [0,2,0,0,0,0|1,0,1]=4 9177 B10R0.4 C=CCOCCCNC(=O)C 34a_100000752032_100015514636 [0,2,0,0,0,0|0,0,2]=4 9178 B10R0.4 C=CCOCCCOC(=O)C 34a_200000210373_100000042594 [0,2,0,0,0,0|0,0,2]=4 9179 B10R0.4 C=CCOCCCSC(=O)C 34a_200000210373_100000038929 [0,2,0,0,0,0|0,0,2]=4 9180 B10R0.4 C=CCSCCCCC(=O)C 62a_100000210623_100000735457 [0,2,0,0,0,0|0,0,1]=3 9181 B10R0.4 C=CCSCCCCC(=O)C 62a_100000735457_100000210623 [0,2,0,0,0,0|0,0,1]=3 9182 B10R0.4 C=CCSCCCOC(=O)C 62a_100000042594_100000210623 [0,2,0,0,0,0|0,0,2]=4 9183 B10R0.4 C=CCSCCCOC(=O)C 62a_100000210623_100000042594 [0,2,0,0,0,0|0,0,2]=4 9184 B10R0.4 C=CCSCCCSC(=O)C 62a_100000038929_100000210623 [0,2,0,0,0,0|0,0,2]=4 9185 B10R0.4 C=CCSCCCSC(=O)C 62a_100000210623_100000038929 [0,2,0,0,0,0|0,0,2]=4 9186 B10R0.4 C=COCCOCCC(=O)C 34a_100000759926_100000039644 [0,2,0,0,0,0|0,0,2]=4 9187 B10R0.4 C=COCCOCCC(=O)C 7a_100000759926_100000039644 [0,2,0,0,0,0|0,0,2]=4 9188 B10R0.4 C=COCCSCCC(=O)C 62a_100000039644_100000053229 [0,2,0,0,0,0|0,0,2]=4 9189 B10R0.4 C=COCCSCCC(=O)C 62a_100000053229_100000039644 [0,2,0,0,0,0|0,0,2]=4 9190 B10R0.4 CC#CCCOCCC(=O)N 34a_100000750427_100000731001 [0,2,0,0,0,0|1,0,1]=4 9191 B10R0.4 CC#CCCOCOC(=O)C 34a_100000750427_100009813279 [0,2,0,0,0,0|0,0,2]=4 9192 B10R0.4 CC#CCNCCCC(=O)C 34a_100000685387_100000685027 [0,2,0,0,0,0|0,0,1]=3 9193 B10R0.4 CC#CCNCCCC(=O)N 34a_100000685387_100102525003 [0,2,0,0,0,0|1,0,1]=4 9194 B10R0.4 CC#CCNCCCC(=O)N 34a_100000739312_100000748600 [0,2,0,0,0,0|1,0,1]=4 9195 B10R0.4 CC#CCNCCCS(=O)C 2230a_200000753449_100000748600 [0,2,0,0,0,0|1,0,1]=4 9196 B10R0.4 CC#CCNCCNC(=O)C 2230a_100000209853_100000748600 [0,2,0,0,0,0|0,0,2]=4 9197 B10R0.4 CC#CCNCCNC(=O)C 2230a_100000685387_100000189650 [0,2,0,0,0,0|0,0,2]=4 9198 B10R0.4 CC#CCNCCOC(=O)C 34a_100000685387_100009814007 [0,2,0,0,0,0|0,0,2]=4 9199 B10R0.4 CC#CCOCCCC(=O)C 34a_100000759063_100000748600 [0,2,0,0,0,0|0,0,1]=3 9200 B10R0.4 CC#CCOCCCC(=O)C 34a_100000761923_100000685027 [0,2,0,0,0,0|0,0,1]=3 9201 B10R0.4 CC#CCOCCCC(=O)C 7a_100000759063_100000748600 [0,2,0,0,0,0|0,0,1]=3 9202 B10R0.4 CC#CCOCCCC(=O)N 34a_100000761923_100102525003 [0,2,0,0,0,0|1,0,1]=4 9203 B10R0.4 CC#CCOCCNC(=O)C 34a_100000158858_100000748600 [0,2,0,0,0,0|0,0,2]=4 9204 B10R0.4 CC#CCOCCOC(=O)C 34a_100000761923_100009814007 [0,2,0,0,0,0|0,0,2]=4 9205 B10R0.4 CC#CCSCCCC(=O)C 62a_100000748600_100011215641 [0,2,0,0,0,0|0,0,1]=3 9206 B10R0.4 CC#CCSCCCC(=O)C 62a_100011215641_100000748600 [0,2,0,0,0,0|0,0,1]=3 9207 B10R0.4 CC#CCSCCCC(=O)N 62a_100000748600_100102525003 [0,2,0,0,0,0|1,0,1]=4 9208 B10R0.4 CC#CCSCCCC(=O)N 62a_100102525003_100000748600 [0,2,0,0,0,0|1,0,1]=4 9209 B10R0.4 CC#CCSCCNC(=O)C 62a_100000189650_100000748600 [0,2,0,0,0,0|0,0,2]=4 9210 B10R0.4 CC#CCSCCNC(=O)C 62a_100000748600_100000189650 [0,2,0,0,0,0|0,0,2]=4 9211 B10R0.4 CC#CCSCCOC(=O)C 62a_100000748600_100009814007 [0,2,0,0,0,0|0,0,2]=4 9212 B10R0.4 CC#CCSCCOC(=O)C 62a_100009814007_100000748600 [0,2,0,0,0,0|0,0,2]=4 9213 B10R0.4 CC(=CCCNCCCF)C 2230a_100015189416_100011217483 [0,2,0,0,0,0|1,0,1]=4 9214 B10R0.4 CC(=CCCNCCCF)C 34a_100015189416_100011217483 [0,2,0,0,0,0|1,0,1]=4 9215 B10R0.4 CC(=CCCOCCCBr)C 34a_100011217188_100011217483 [0,2,0,0,0,0|1,0,1]=4 9216 B10R0.4 CC(=CCCOCCCCl)C 34a_100000230001_100011217483 [0,2,0,0,0,0|1,0,1]=4 9217 B10R0.4 CC(=CCCOCCCF)C 34a_100000759539_100011217483 [0,2,0,0,0,0|1,0,1]=4 9218 B10R0.4 CC(=CCCOCCCN)C 34a_100000182051_100011217483 [0,2,0,0,0,0|1,0,1]=4 9219 B10R0.4 CC(=CCCSCCCF)C 62a_100011217483_100011934791 [0,2,0,0,0,0|1,0,1]=4 9220 B10R0.4 CC(=CCCSCCCF)C 62a_100011934791_100011217483 [0,2,0,0,0,0|1,0,1]=4 9221 B10R0.4 CC(=CCCSCCCO)C 62a_100011215043_100011217483 [0,2,0,0,0,0|1,0,1]=4 9222 B10R0.4 CC(=CCCSCCCO)C 62a_100011217483_100011215043 [0,2,0,0,0,0|1,0,1]=4 9223 B10R0.4 CC(=CCNCCCCF)C 34a_100000718196_100000729493 [0,2,0,0,0,0|1,0,1]=4 9224 B10R0.4 CC(=CCNCCCCO)C 2230a_100000750430_100000761012 [0,2,0,0,0,0|1,0,1]=4 9225 B10R0.4 CC(=CCNCCCCO)C 34a_100000718196_100011216708 [0,2,0,0,0,0|1,0,1]=4 9226 B10R0.4 CC(=CCNCCCCO)C 34a_100000750430_100000761012 [0,2,0,0,0,0|1,0,1]=4 9227 B10R0.4 CC(=CCOCCCCBr)C 34a_100011216708_100000761012 [0,2,0,0,0,0|1,0,1]=4 9228 B10R0.4 CC(=CCOCCCCCl)C 34a_100000210776_100000761012 [0,2,0,0,0,0|1,0,1]=4 9229 B10R0.4 CC(=CCOCCCCCl)C 7a_100000210776_100000761012 [0,2,0,0,0,0|1,0,1]=4 9230 B10R0.4 CC(=CCOCCCCF)C 34a_100000753907_100000729493 [0,2,0,0,0,0|1,0,1]=4 9231 B10R0.4 CC(=CCOCCCCF)C 34a_100011995726_100000761012 [0,2,0,0,0,0|1,0,1]=4 9232 B10R0.4 CC(=CCOCCCCF)C 7a_100011995726_100000761012 [0,2,0,0,0,0|1,0,1]=4 9233 B10R0.4 CC(=CCOCCCCI)C 34a_200012148704_100000761012 [0,2,0,0,0,0|1,0,1]=4 9234 B10R0.4 CC(=CCOCCCCN)C 34a_100000750430_100000761012 [0,2,0,0,0,0|1,0,1]=4 9235 B10R0.4 CC(=CCOCCCCO)C 34a_100000753907_100011216708 [0,2,0,0,0,0|1,0,1]=4 9236 B10R0.4 CC(=CCSCCCCF)C 62a_100000729493_100000761012 [0,2,0,0,0,0|1,0,1]=4 9237 B10R0.4 CC(=CCSCCCCF)C 62a_100000761012_100000729493 [0,2,0,0,0,0|1,0,1]=4 9238 B10R0.4 CC(=CCSCCCCO)C 62a_100000210776_100000761012 [0,2,0,0,0,0|1,0,1]=4 9239 B10R0.4 CC(=CCSCCCCO)C 62a_100000761012_100000210776 [0,2,0,0,0,0|1,0,1]=4 9240 B10R0.4 CC(=O)CCCCCCC#N 1458a_100000070787_100009813337 [0,2,0,0,0,0|0,0,0]=2 9241 B10R0.4 CC(=O)CCCCCCCO 1458a_100000070787_100000760002 [0,2,0,0,0,0|0,0,0]=2 9242 B10R0.4 CC(=O)CCCCCCCO 1458a_100011219782_200000210301 [0,2,0,0,0,0|0,0,0]=2 9243 B10R0.4 CC(=O)CCCCCN=[N+]=[N-] 1458a_100009870042_200000210301 [0,2,0,0,0,0|1,0,0]=3 9244 B10R0.4 CC(=O)CCCCNCCF 34a_100000724931_100009817362 [0,2,0,0,0,0|0,0,0]=2 9245 B10R0.4 CC(=O)CCCCNCCO 34a_100016990907_100009817362 [0,2,0,0,0,0|0,0,0]=2 9246 B10R0.4 CC(=O)CCCCOCCBr 34a_100000211926_100009817362 [0,2,0,0,0,0|0,0,0]=2 9247 B10R0.4 CC(=O)CCCCOCCN 34a_100000210304_100009817362 [0,2,0,0,0,0|0,0,0]=2 9248 B10R0.4 CC(=O)CCCCSCC#N 62a_100000735457_100011215382 [0,2,0,0,0,0|0,0,1]=3 9249 B10R0.4 CC(=O)CCCCSCC#N 62a_100011215382_100000735457 [0,2,0,0,0,0|0,0,1]=3 9250 B10R0.4 CC(=O)CCCCSCC=O 62a_100000735457_200015260668 [0,2,0,0,0,0|0,0,1]=3 9251 B10R0.4 CC(=O)CCCCSCC=O 62a_200015260668_100000735457 [0,2,0,0,0,0|0,0,1]=3 9252 B10R0.4 CC(=O)CCCCSCCF 62a_100000735457_100011217306 [0,2,0,0,0,0|0,0,0]=2 9253 B10R0.4 CC(=O)CCCCSCCF 62a_100011217306_100000735457 [0,2,0,0,0,0|0,0,0]=2 9254 B10R0.4 CC(=O)CCCCSCCO 62a_100000211926_100000735457 [0,2,0,0,0,0|0,0,0]=2 9255 B10R0.4 CC(=O)CCCCSCCO 62a_100000735457_100000211926 [0,2,0,0,0,0|0,0,0]=2 9256 B10R0.4 CC(=O)CCCNCCCF 34a_100015189416_100000685027 [0,2,0,0,0,0|0,0,0]=2 9257 B10R0.4 CC(=O)CCCOCCC#N 7a_100000759063_100000184422 [0,2,0,0,0,0|0,0,1]=3 9258 B10R0.4 CC(=O)CCCOCCCBr 34a_100011217188_100000685027 [0,2,0,0,0,0|0,0,0]=2 9259 B10R0.4 CC(=O)CCCOCCCCl 34a_100000230001_100000685027 [0,2,0,0,0,0|0,0,0]=2 9260 B10R0.4 CC(=O)CCCOCCCF 34a_100000759063_100011934791 [0,2,0,0,0,0|0,0,0]=2 9261 B10R0.4 CC(=O)CCCOCCCF 34a_100000759539_100000685027 [0,2,0,0,0,0|0,0,0]=2 9262 B10R0.4 CC(=O)CCCOCCCF 7a_100000759063_100011934791 [0,2,0,0,0,0|0,0,0]=2 9263 B10R0.4 CC(=O)CCCOCCCN 34a_100000182051_100000685027 [0,2,0,0,0,0|0,0,0]=2 9264 B10R0.4 CC(=O)CCCOCCCO 34a_100000759063_100000230001 [0,2,0,0,0,0|0,0,0]=2 9265 B10R0.4 CC(=O)CCCOCCCO 7a_100000759063_100011215043 [0,2,0,0,0,0|0,0,0]=2 9266 B10R0.4 CC(=O)CCCOCCON 34a_100000700252_100000685027 [0,2,0,0,0,0|1,0,0]=3 9267 B10R0.4 CC(=O)CCCSCCC#N 62a_100011215226_100011215641 [0,2,0,0,0,0|0,0,1]=3 9268 B10R0.4 CC(=O)CCCSCCC#N 62a_100011215641_100011215226 [0,2,0,0,0,0|0,0,1]=3 9269 B10R0.4 CC(=O)CCCSCCCF 62a_100011215641_100011934791 [0,2,0,0,0,0|0,0,0]=2 9270 B10R0.4 CC(=O)CCCSCCCF 62a_100011934791_100011215641 [0,2,0,0,0,0|0,0,0]=2 9271 B10R0.4 CC(=O)CCCSCCCO 62a_100011215043_100011215641 [0,2,0,0,0,0|0,0,0]=2 9272 B10R0.4 CC(=O)CCCSCCCO 62a_100011215641_100011215043 [0,2,0,0,0,0|0,0,0]=2 9273 B10R0.4 CC(=O)CCCSCSC#N 62a_100000211825_100011215641 [0,2,0,0,0,0|1,0,1]=4 9274 B10R0.4 CC(=O)CCCSCSC#N 62a_100011215641_100000211825 [0,2,0,0,0,0|1,0,1]=4 9275 B10R0.4 CC(=O)CCOCC#CCO 34a_100000759926_200000047223 [0,2,0,0,0,0|0,0,2]=4 9276 B10R0.4 CC(=O)CCOCC#CCO 7a_100000759926_200000047223 [0,2,0,0,0,0|0,0,2]=4 9277 B10R0.4 CC(=O)CCOCCCC#N 7a_100000759926_100000687738 [0,2,0,0,0,0|0,0,1]=3 9278 B10R0.4 CC(=O)CCOCCCC=O 7a_100000759926_200011292268 [0,2,0,0,0,0|0,0,1]=3 9279 B10R0.4 CC(=O)CCOCCCCCl 7a_100000210776_100000053229 [0,2,0,0,0,0|0,0,0]=2 9280 B10R0.4 CC(=O)CCOCCCCF 34a_100000759926_100000729493 [0,2,0,0,0,0|0,0,0]=2 9281 B10R0.4 CC(=O)CCOCCCCF 7a_100000759926_100000729493 [0,2,0,0,0,0|0,0,0]=2 9282 B10R0.4 CC(=O)CCOCCCCF 7a_100011995726_100000053229 [0,2,0,0,0,0|0,0,0]=2 9283 B10R0.4 CC(=O)CCOCCCCO 34a_100000759926_100011216708 [0,2,0,0,0,0|0,0,0]=2 9284 B10R0.4 CC(=O)CCOCCCCO 7a_100000759926_100000210776 [0,2,0,0,0,0|0,0,0]=2 9285 B10R0.4 CC(=O)CCSCC#CCO 62a_100000053229_200000047223 [0,2,0,0,0,0|0,0,2]=4 9286 B10R0.4 CC(=O)CCSCC#CCO 62a_200000047223_100000053229 [0,2,0,0,0,0|0,0,2]=4 9287 B10R0.4 CC(=O)CCSCCCC#N 62a_100000053229_100000687738 [0,2,0,0,0,0|0,0,1]=3 9288 B10R0.4 CC(=O)CCSCCCC#N 62a_100000687738_100000053229 [0,2,0,0,0,0|0,0,1]=3 9289 B10R0.4 CC(=O)CCSCCCC=O 62a_100000053229_200011292268 [0,2,0,0,0,0|0,0,1]=3 9290 B10R0.4 CC(=O)CCSCCCC=O 62a_200011292268_100000053229 [0,2,0,0,0,0|0,0,1]=3 9291 B10R0.4 CC(=O)CCSCCCCF 62a_100000053229_100000729493 [0,2,0,0,0,0|0,0,0]=2 9292 B10R0.4 CC(=O)CCSCCCCF 62a_100000729493_100000053229 [0,2,0,0,0,0|0,0,0]=2 9293 B10R0.4 CC(=O)CCSCCCCO 62a_100000053229_100000210776 [0,2,0,0,0,0|0,0,0]=2 9294 B10R0.4 CC(=O)CCSCCCCO 62a_100000210776_100000053229 [0,2,0,0,0,0|0,0,0]=2 9295 B10R0.4 CC(=O)CCSCCSC#N 62a_100000034367_100000053229 [0,2,0,0,0,0|1,0,1]=4 9296 B10R0.4 CC(=O)CCSCCSC#N 62a_100000053229_100000034367 [0,2,0,0,0,0|1,0,1]=4 9297 B10R0.4 CC(=O)COCCCCCF 34a_100000211253_100000729378 [0,2,0,0,0,0|0,0,0]=2 9298 B10R0.4 CC(=O)COCCCCCO 34a_100000211253_100000746330 [0,2,0,0,0,0|0,0,0]=2 9299 B10R0.4 CC(=O)COCCOCCO 1458a_106645077154_200000210301 [0,2,0,0,0,0|1,0,0]=3 9300 B10R0.4 CC(=O)COCCOCCO 34a_100000211253_100000692535 [0,2,0,0,0,0|1,0,0]=3 9301 B10R0.4 CC(=O)NCCCCCC#N 11a_100000061152_100015343762 [0,2,0,0,0,0|0,0,1]=3 9302 B10R0.4 CC(=O)NCCCCCC#N 1626a_100000061152_100015343762 [0,2,0,0,0,0|0,0,1]=3 9303 B10R0.4 CC(=O)NCCCCCC#N 240690a_100000061152_100015343762 [0,2,0,0,0,0|0,0,1]=3 9304 B10R0.4 CC(=O)NCCCCCC#N 527a_100000061152_100103153847 [0,2,0,0,0,0|0,0,1]=3 9305 B10R0.4 CC(=O)NCCCCCCO 240690a_100000686447_100015343762 [0,2,0,0,0,0|0,0,0]=2 9306 B10R0.4 CC(=O)NCCCCCCO 527a_100000686447_100103153847 [0,2,0,0,0,0|0,0,0]=2 9307 B10R0.4 CC(=O)NCCCCCN[13CH3] 2230a_200012022750_200025704644 [0,2,0,0,0,0|0,0,0]=2 9308 B10R0.4 CC(=O)NCCCCCN[13CH3] 34a_200012022750_200025704644 [0,2,0,0,0,0|0,0,0]=2 9309 B10R0.4 CC(=O)NCCCCN=[N+]=[N-] 11a_100000101370_100015343762 [0,2,0,0,0,0|2,0,0]=4 9310 B10R0.4 CC(=O)NCCCCN=[N+]=[N-] 240690a_100000101370_100015343762 [0,2,0,0,0,0|2,0,0]=4 9311 B10R0.4 CC(=O)NCCCCNCF 34a_200011368371_100015361967 [0,2,0,0,0,0|1,0,0]=3 9312 B10R0.4 CC(=O)NCCCNCC=O 34a_100000736810_200009817547 [0,2,0,0,0,0|1,0,1]=4 9313 B10R0.4 CC(=O)NCCCNCCF 34a_100000736810_100011217306 [0,2,0,0,0,0|1,0,0]=3 9314 B10R0.4 CC(=O)NCCCNCCO 34a_100000736810_100000211926 [0,2,0,0,0,0|1,0,0]=3 9315 B10R0.4 CC(=O)NCCCOCC=O 34a_100000752032_200009817547 [0,2,0,0,0,0|1,0,1]=4 9316 B10R0.4 CC(=O)NCCCOCCF 34a_100000752032_100011217306 [0,2,0,0,0,0|1,0,0]=3 9317 B10R0.4 CC(=O)NCCCOCCO 34a_100000752032_100000211926 [0,2,0,0,0,0|1,0,0]=3 9318 B10R0.4 CC(=O)NCCNCCC#N 2230a_100000209853_100011215226 [0,2,0,0,0,0|1,0,1]=4 9319 B10R0.4 CC(=O)NCCNCCCF 2230a_100000209853_100011934791 [0,2,0,0,0,0|1,0,0]=3 9320 B10R0.4 CC(=O)NCCNCCCF 2230a_100015189416_100000189650 [0,2,0,0,0,0|1,0,0]=3 9321 B10R0.4 CC(=O)NCCNCCCO 2230a_100000209853_100000230001 [0,2,0,0,0,0|1,0,0]=3 9322 B10R0.4 CC(=O)NCCOCCCF 34a_100000158858_100011934791 [0,2,0,0,0,0|1,0,0]=3 9323 B10R0.4 CC(=O)NCCOCCCO 34a_100000158858_100000230001 [0,2,0,0,0,0|1,0,0]=3 9324 B10R0.4 CC(=O)NCCSCCC#N 62a_100000189650_100011215226 [0,2,0,0,0,0|1,0,1]=4 9325 B10R0.4 CC(=O)NCCSCCC#N 62a_100011215226_100000189650 [0,2,0,0,0,0|1,0,1]=4 9326 B10R0.4 CC(=O)NCCSCCCF 62a_100000189650_100011934791 [0,2,0,0,0,0|1,0,0]=3 9327 B10R0.4 CC(=O)NCCSCCCF 62a_100011934791_100000189650 [0,2,0,0,0,0|1,0,0]=3 9328 B10R0.4 CC(=O)NCCSCCCO 62a_100000189650_100011215043 [0,2,0,0,0,0|1,0,0]=3 9329 B10R0.4 CC(=O)NCCSCCCO 62a_100011215043_100000189650 [0,2,0,0,0,0|1,0,0]=3 9330 B10R0.4 CC(=O)NN=CCCCCO 4a_100000189765_100000031955 [0,2,0,0,0,0|1,0,1]=4 9331 B10R0.4 CC(=O)OCCCCCS[13CH3] 62a_100000033007_200025704644 [0,2,0,0,0,0|0,0,0]=2 9332 B10R0.4 CC(=O)OCCCCCS[13CH3] 62a_200025704644_100000033007 [0,2,0,0,0,0|0,0,0]=2 9333 B10R0.4 CC(=O)OCCCCOCF 34a_100000073216_100015361967 [0,2,0,0,0,0|1,0,0]=3 9334 B10R0.4 CC(=O)OCCCCOCF 7a_100000073216_100015361967 [0,2,0,0,0,0|1,0,0]=3 9335 B10R0.4 CC(=O)OCCCCSCF 62a_100000033659_100015361967 [0,2,0,0,0,0|1,0,0]=3 9336 B10R0.4 CC(=O)OCCCCSCF 62a_100015361967_100000033659 [0,2,0,0,0,0|1,0,0]=3 9337 B10R0.4 CC(=O)OCCCNCCF 34a_100000724931_100000042594 [0,2,0,0,0,0|1,0,0]=3 9338 B10R0.4 CC(=O)OCCCNCCO 34a_100016990907_100000042594 [0,2,0,0,0,0|1,0,0]=3 9339 B10R0.4 CC(=O)OCCCOCCBr 34a_100000211926_100000042594 [0,2,0,0,0,0|1,0,0]=3 9340 B10R0.4 CC(=O)OCCCOCCN 34a_100000210304_100000042594 [0,2,0,0,0,0|1,0,0]=3 9341 B10R0.4 CC(=O)OCCCSCC#N 62a_100000042594_100011215382 [0,2,0,0,0,0|1,0,1]=4 9342 B10R0.4 CC(=O)OCCCSCC#N 62a_100011215382_100000042594 [0,2,0,0,0,0|1,0,1]=4 9343 B10R0.4 CC(=O)OCCCSCC=O 62a_100000042594_200015260668 [0,2,0,0,0,0|1,0,1]=4 9344 B10R0.4 CC(=O)OCCCSCC=O 62a_200015260668_100000042594 [0,2,0,0,0,0|1,0,1]=4 9345 B10R0.4 CC(=O)OCCCSCCF 62a_100000042594_100011217306 [0,2,0,0,0,0|1,0,0]=3 9346 B10R0.4 CC(=O)OCCCSCCF 62a_100011217306_100000042594 [0,2,0,0,0,0|1,0,0]=3 9347 B10R0.4 CC(=O)OCCCSCCO 62a_100000042594_100000211926 [0,2,0,0,0,0|1,0,0]=3 9348 B10R0.4 CC(=O)OCCCSCCO 62a_100000211926_100000042594 [0,2,0,0,0,0|1,0,0]=3 9349 B10R0.4 CC(=O)OCCNCCCF 34a_100015189416_100009814007 [0,2,0,0,0,0|1,0,0]=3 9350 B10R0.4 CC(=O)OCCOCCCBr 34a_100011217188_100009814007 [0,2,0,0,0,0|1,0,0]=3 9351 B10R0.4 CC(=O)OCCOCCCCl 34a_100000230001_100009814007 [0,2,0,0,0,0|1,0,0]=3 9352 B10R0.4 CC(=O)OCCOCCCF 34a_100000759539_100009814007 [0,2,0,0,0,0|1,0,0]=3 9353 B10R0.4 CC(=O)OCCOCCCN 34a_100000182051_100009814007 [0,2,0,0,0,0|1,0,0]=3 9354 B10R0.4 CC(=O)OCCOCCON 34a_100000700252_100009814007 [0,2,0,0,0,0|2,0,0]=4 9355 B10R0.4 CC(=O)OCCOCCS[13CH3] 62a_200000083610_200025704644 [0,2,0,0,0,0|1,0,0]=3 9356 B10R0.4 CC(=O)OCCOCCS[13CH3] 62a_200025704644_200000083610 [0,2,0,0,0,0|1,0,0]=3 9357 B10R0.4 CC(=O)OCCOCSCF 62a_100000076355_100015361967 [0,2,0,0,0,0|2,0,0]=4 9358 B10R0.4 CC(=O)OCCOCSCF 62a_100015361967_100000076355 [0,2,0,0,0,0|2,0,0]=4 9359 B10R0.4 CC(=O)OCCSCCC#N 62a_100009814007_100011215226 [0,2,0,0,0,0|1,0,1]=4 9360 B10R0.4 CC(=O)OCCSCCC#N 62a_100011215226_100009814007 [0,2,0,0,0,0|1,0,1]=4 9361 B10R0.4 CC(=O)OCCSCCCF 62a_100009814007_100011934791 [0,2,0,0,0,0|1,0,0]=3 9362 B10R0.4 CC(=O)OCCSCCCF 62a_100011934791_100009814007 [0,2,0,0,0,0|1,0,0]=3 9363 B10R0.4 CC(=O)OCCSCCCO 62a_100009814007_100011215043 [0,2,0,0,0,0|1,0,0]=3 9364 B10R0.4 CC(=O)OCCSCCCO 62a_100011215043_100009814007 [0,2,0,0,0,0|1,0,0]=3 9365 B10R0.4 CC(=O)OCNCCCCO 34a_100000750430_100009813279 [0,2,0,0,0,0|1,0,0]=3 9366 B10R0.4 CC(=O)OCOCCCCBr 34a_100011216708_100009813279 [0,2,0,0,0,0|1,0,0]=3 9367 B10R0.4 CC(=O)OCOCCCCCl 34a_100000210776_100009813279 [0,2,0,0,0,0|1,0,0]=3 9368 B10R0.4 CC(=O)OCOCCCCF 34a_100011995726_100009813279 [0,2,0,0,0,0|1,0,0]=3 9369 B10R0.4 CC(=O)OCOCCCCI 34a_200012148704_100009813279 [0,2,0,0,0,0|1,0,0]=3 9370 B10R0.4 CC(=O)OCOCCCCN 34a_100000750430_100009813279 [0,2,0,0,0,0|1,0,0]=3 9371 B10R0.4 CC(=O)OCSCCCC#N 62a_100000076356_100000687738 [0,2,0,0,0,0|1,0,1]=4 9372 B10R0.4 CC(=O)OCSCCCC#N 62a_100000687738_100000076356 [0,2,0,0,0,0|1,0,1]=4 9373 B10R0.4 CC(=O)OCSCCCC=O 62a_100000076356_200011292268 [0,2,0,0,0,0|1,0,1]=4 9374 B10R0.4 CC(=O)OCSCCCC=O 62a_200011292268_100000076356 [0,2,0,0,0,0|1,0,1]=4 9375 B10R0.4 CC(=O)OCSCCCCF 62a_100000076356_100000729493 [0,2,0,0,0,0|1,0,0]=3 9376 B10R0.4 CC(=O)OCSCCCCF 62a_100000729493_100000076356 [0,2,0,0,0,0|1,0,0]=3 9377 B10R0.4 CC(=O)OCSCCCCO 62a_100000076356_100000210776 [0,2,0,0,0,0|1,0,0]=3 9378 B10R0.4 CC(=O)OCSCCCCO 62a_100000210776_100000076356 [0,2,0,0,0,0|1,0,0]=3 9379 B10R0.4 CC(=O)SCCCCSCF 62a_100015361967_200010402107 [0,2,0,0,0,0|1,0,0]=3 9380 B10R0.4 CC(=O)SCCCCSCF 62a_200010402107_100015361967 [0,2,0,0,0,0|1,0,0]=3 9381 B10R0.4 CC(=O)SCCCNCCF 34a_100000724931_100000038929 [0,2,0,0,0,0|1,0,0]=3 9382 B10R0.4 CC(=O)SCCCNCCO 2230a_100016997473_100000038929 [0,2,0,0,0,0|1,0,0]=3 9383 B10R0.4 CC(=O)SCCCNCCO 34a_100016990907_100000038929 [0,2,0,0,0,0|1,0,0]=3 9384 B10R0.4 CC(=O)SCCCOCCBr 34a_100000211926_100000038929 [0,2,0,0,0,0|1,0,0]=3 9385 B10R0.4 CC(=O)SCCCOCCN 34a_100000210304_100000038929 [0,2,0,0,0,0|1,0,0]=3 9386 B10R0.4 CC(=O)SCCCSCC#N 62a_100000038929_100011215382 [0,2,0,0,0,0|1,0,1]=4 9387 B10R0.4 CC(=O)SCCCSCC#N 62a_100011215382_100000038929 [0,2,0,0,0,0|1,0,1]=4 9388 B10R0.4 CC(=O)SCCCSCC=O 62a_100000038929_200015260668 [0,2,0,0,0,0|1,0,1]=4 9389 B10R0.4 CC(=O)SCCCSCC=O 62a_200015260668_100000038929 [0,2,0,0,0,0|1,0,1]=4 9390 B10R0.4 CC(=O)SCCCSCCF 62a_100000038929_100011217306 [0,2,0,0,0,0|1,0,0]=3 9391 B10R0.4 CC(=O)SCCCSCCF 62a_100011217306_100000038929 [0,2,0,0,0,0|1,0,0]=3 9392 B10R0.4 CC(=O)SCCCSCCO 62a_100000038929_100000211926 [0,2,0,0,0,0|1,0,0]=3 9393 B10R0.4 CC(=O)SCCCSCCO 62a_100000211926_100000038929 [0,2,0,0,0,0|1,0,0]=3 9394 B10R0.4 CC(=S)OCCCNCCF 34a_100000724931_200135323944 [0,2,0,0,0,0|1,1,0]=4 9395 B10R0.4 CC(=S)OCCCNCCO 2230a_100016997473_200135323944 [0,2,0,0,0,0|1,1,0]=4 9396 B10R0.4 CC(=S)OCCCNCCO 34a_100016990907_200135323944 [0,2,0,0,0,0|1,1,0]=4 9397 B10R0.4 CC(=S)OCCCOCCBr 34a_100000211926_200135323944 [0,2,0,0,0,0|1,1,0]=4 9398 B10R0.4 CC(=S)OCCCOCCN 34a_100000210304_200135323944 [0,2,0,0,0,0|1,1,0]=4 9399 B10R0.4 CC(=S)OCCCSCCF 62a_100011217306_200135323944 [0,2,0,0,0,0|1,1,0]=4 9400 B10R0.4 CC(=S)OCCCSCCF 62a_200135323944_100011217306 [0,2,0,0,0,0|1,1,0]=4 9401 B10R0.4 CC(=S)OCCCSCCO 62a_100000211926_200135323944 [0,2,0,0,0,0|1,1,0]=4 9402 B10R0.4 CC(=S)OCCCSCCO 62a_200135323944_100000211926 [0,2,0,0,0,0|1,1,0]=4 9403 B10R0.4 CC(Br)CCOCCCCF 34a_100009893172_100000729493 [0,2,0,0,0,0|1,0,1]=4 9404 B10R0.4 CC(Br)CCOCCCCO 34a_100009893172_100011216708 [0,2,0,0,0,0|1,0,1]=4 9405 B10R0.4 CC(Br)COCCCCCF 34a_100012180447_100000729378 [0,2,0,0,0,0|1,0,1]=4 9406 B10R0.4 CC(Br)COCCCCCO 34a_100012180447_100000746330 [0,2,0,0,0,0|1,0,1]=4 9407 B10R0.4 CC(C)CCCCCCN[13CH3] 2230a_100000211014_200025704644 [0,2,0,0,0,0|1,0,1]=4 9408 B10R0.4 CC(C)CCCCCCN[13CH3] 34a_100000211014_200025704644 [0,2,0,0,0,0|1,0,1]=4 9409 B10R0.4 CC(C)CCCCCNCF 34a_100011290863_100015361967 [0,2,0,0,0,0|1,0,1]=4 9410 B10R0.4 CC(C)CCCCCOCF 34a_100011995859_100015361967 [0,2,0,0,0,0|1,0,1]=4 9411 B10R0.4 CC(C)CCCCCOCF 7a_100011995859_100015361967 [0,2,0,0,0,0|1,0,1]=4 9412 B10R0.4 CC(C)CCCCCSCF 62a_100000210682_100015361967 [0,2,0,0,0,0|1,0,1]=4 9413 B10R0.4 CC(C)CCCCCSCF 62a_100015361967_100000210682 [0,2,0,0,0,0|1,0,1]=4 9414 B10R0.4 CC(C)CCCCNCCF 34a_100000724931_100011216152 [0,2,0,0,0,0|1,0,1]=4 9415 B10R0.4 CC(C)CCCCNCCO 2230a_100016997473_100011216152 [0,2,0,0,0,0|1,0,1]=4 9416 B10R0.4 CC(C)CCCCNCCO 34a_100016990907_100011216152 [0,2,0,0,0,0|1,0,1]=4 9417 B10R0.4 CC(C)CCCCOCCBr 34a_100000211926_100011216152 [0,2,0,0,0,0|1,0,1]=4 9418 B10R0.4 CC(C)CCCCOCCF 34a_100011214890_100011217306 [0,2,0,0,0,0|1,0,1]=4 9419 B10R0.4 CC(C)CCCCOCCF 7a_100011214890_100011217306 [0,2,0,0,0,0|1,0,1]=4 9420 B10R0.4 CC(C)CCCCOCCN 34a_100000210304_100011216152 [0,2,0,0,0,0|1,0,1]=4 9421 B10R0.4 CC(C)CCCCOCCO 34a_100011214890_100000211926 [0,2,0,0,0,0|1,0,1]=4 9422 B10R0.4 CC(C)CCCCOCCO 7a_100011214890_100000211926 [0,2,0,0,0,0|1,0,1]=4 9423 B10R0.4 CC(C)CCCCSCCF 62a_100011216152_100011217306 [0,2,0,0,0,0|1,0,1]=4 9424 B10R0.4 CC(C)CCCCSCCF 62a_100011217306_100011216152 [0,2,0,0,0,0|1,0,1]=4 9425 B10R0.4 CC(C)CCCCSCCO 62a_100000211926_100011216152 [0,2,0,0,0,0|1,0,1]=4 9426 B10R0.4 CC(C)CCCCSCCO 62a_100011216152_100000211926 [0,2,0,0,0,0|1,0,1]=4 9427 B10R0.4 CC(C)CCCNCCCF 2230a_100015189416_100011214892 [0,2,0,0,0,0|1,0,1]=4 9428 B10R0.4 CC(C)CCCNCCCF 2230a_200000737386_100011934791 [0,2,0,0,0,0|1,0,1]=4 9429 B10R0.4 CC(C)CCCNCCCF 34a_100015189416_100011214892 [0,2,0,0,0,0|1,0,1]=4 9430 B10R0.4 CC(C)CCCNCCCF 34a_200000737386_100011934791 [0,2,0,0,0,0|1,0,1]=4 9431 B10R0.4 CC(C)CCCNCCCO 2230a_200000737386_100000230001 [0,2,0,0,0,0|1,0,1]=4 9432 B10R0.4 CC(C)CCCNCCCO 34a_200000737386_100000230001 [0,2,0,0,0,0|1,0,1]=4 9433 B10R0.4 CC(C)CCCOCCCBr 34a_100011217188_100011214892 [0,2,0,0,0,0|1,0,1]=4 9434 B10R0.4 CC(C)CCCOCCCCl 34a_100000230001_100011214892 [0,2,0,0,0,0|1,0,1]=4 9435 B10R0.4 CC(C)CCCOCCCF 34a_100000210774_100011934791 [0,2,0,0,0,0|1,0,1]=4 9436 B10R0.4 CC(C)CCCOCCCF 34a_100000759539_100011214892 [0,2,0,0,0,0|1,0,1]=4 9437 B10R0.4 CC(C)CCCOCCCF 7a_100000210774_100011934791 [0,2,0,0,0,0|1,0,1]=4 9438 B10R0.4 CC(C)CCCOCCCN 34a_100000182051_100011214892 [0,2,0,0,0,0|1,0,1]=4 9439 B10R0.4 CC(C)CCCOCCCO 34a_100000210774_100000230001 [0,2,0,0,0,0|1,0,1]=4 9440 B10R0.4 CC(C)CCCOCCCO 7a_100000210774_100011215043 [0,2,0,0,0,0|1,0,1]=4 9441 B10R0.4 CC(C)CCCSCCCF 62a_100011214892_100011934791 [0,2,0,0,0,0|1,0,1]=4 9442 B10R0.4 CC(C)CCCSCCCF 62a_100011934791_100011214892 [0,2,0,0,0,0|1,0,1]=4 9443 B10R0.4 CC(C)CCCSCCCO 62a_100011214892_100011215043 [0,2,0,0,0,0|1,0,1]=4 9444 B10R0.4 CC(C)CCCSCCCO 62a_100011215043_100011214892 [0,2,0,0,0,0|1,0,1]=4 9445 B10R0.4 CC(C)CCNCCCCO 2230a_100000750430_100000210312 [0,2,0,0,0,0|1,0,1]=4 9446 B10R0.4 CC(C)CCNCCCCO 269862a_100000750430_100000185833 [0,2,0,0,0,0|1,0,1]=4 9447 B10R0.4 CC(C)CCNCCCCO 34a_100000750430_100000210312 [0,2,0,0,0,0|1,0,1]=4 9448 B10R0.4 CC(C)CCOCCCCBr 34a_100011216708_100000210312 [0,2,0,0,0,0|1,0,1]=4 9449 B10R0.4 CC(C)CCOCCCCCl 34a_100000210776_100000210312 [0,2,0,0,0,0|1,0,1]=4 9450 B10R0.4 CC(C)CCOCCCCCl 7a_100000210776_100000210626 [0,2,0,0,0,0|1,0,1]=4 9451 B10R0.4 CC(C)CCOCCCCF 34a_100000210254_100000729493 [0,2,0,0,0,0|1,0,1]=4 9452 B10R0.4 CC(C)CCOCCCCF 34a_100011995726_100000210312 [0,2,0,0,0,0|1,0,1]=4 9453 B10R0.4 CC(C)CCOCCCCF 7a_100000210254_100000729493 [0,2,0,0,0,0|1,0,1]=4 9454 B10R0.4 CC(C)CCOCCCCF 7a_100011995726_100000210626 [0,2,0,0,0,0|1,0,1]=4 9455 B10R0.4 CC(C)CCOCCCCI 34a_200012148704_100000210312 [0,2,0,0,0,0|1,0,1]=4 9456 B10R0.4 CC(C)CCOCCCCN 34a_100000750430_100000210312 [0,2,0,0,0,0|1,0,1]=4 9457 B10R0.4 CC(C)CCOCCCCO 34a_100000210254_100011216708 [0,2,0,0,0,0|1,0,1]=4 9458 B10R0.4 CC(C)CCOCCCCO 7a_100000210254_100000210776 [0,2,0,0,0,0|1,0,1]=4 9459 B10R0.4 CC(C)CCSCCCCF 62a_100000210312_100000729493 [0,2,0,0,0,0|1,0,1]=4 9460 B10R0.4 CC(C)CCSCCCCF 62a_100000729493_100000210312 [0,2,0,0,0,0|1,0,1]=4 9461 B10R0.4 CC(C)CCSCCCCO 62a_100000210312_100000210776 [0,2,0,0,0,0|1,0,1]=4 9462 B10R0.4 CC(C)CCSCCCCO 62a_100000210776_100000210312 [0,2,0,0,0,0|1,0,1]=4 9463 B10R0.4 CC(C)CNCCCCCF 2230a_100000210953_100000729378 [0,2,0,0,0,0|1,0,1]=4 9464 B10R0.4 CC(C)CNCCCCCF 34a_100000210953_100000729378 [0,2,0,0,0,0|1,0,1]=4 9465 B10R0.4 CC(C)CNCCCCCO 2230a_100000210953_100000746330 [0,2,0,0,0,0|1,0,1]=4 9466 B10R0.4 CC(C)CNCCCCCO 2230a_100000762737_100000210760 [0,2,0,0,0,0|1,0,1]=4 9467 B10R0.4 CC(C)CNCCCCCO 270004a_100000762737_100000210432 [0,2,0,0,0,0|1,0,1]=4 9468 B10R0.4 CC(C)CNCCCCCO 34a_100000210953_100000746330 [0,2,0,0,0,0|1,0,1]=4 9469 B10R0.4 CC(C)CNCCCCCO 34a_100000762737_100000210624 [0,2,0,0,0,0|1,0,1]=4 9470 B10R0.4 CC(C)COCCCCCBr 34a_100000746331_100000210624 [0,2,0,0,0,0|1,0,1]=4 9471 B10R0.4 CC(C)COCCCCCBr 7a_100000746331_100000210760 [0,2,0,0,0,0|1,0,1]=4 9472 B10R0.4 CC(C)COCCCCCCl 34a_100000746330_100000210624 [0,2,0,0,0,0|1,0,1]=4 9473 B10R0.4 CC(C)COCCCCCCl 7a_100000746330_100000210760 [0,2,0,0,0,0|1,0,1]=4 9474 B10R0.4 CC(C)COCCCCCF 34a_100000210257_100000729378 [0,2,0,0,0,0|1,0,1]=4 9475 B10R0.4 CC(C)COCCCCCI 34a_200012148887_100000210624 [0,2,0,0,0,0|1,0,1]=4 9476 B10R0.4 CC(C)COCCCCCI 7a_200012148887_100000210760 [0,2,0,0,0,0|1,0,1]=4 9477 B10R0.4 CC(C)COCCCCCN 34a_100000762737_100000210624 [0,2,0,0,0,0|1,0,1]=4 9478 B10R0.4 CC(C)COCCCCCO 34a_100000210257_100000746330 [0,2,0,0,0,0|1,0,1]=4 9479 B10R0.4 CC(C)CSCCCCCF 62a_100000210624_100000729378 [0,2,0,0,0,0|1,0,1]=4 9480 B10R0.4 CC(C)CSCCCCCF 62a_100000729378_100000210760 [0,2,0,0,0,0|1,0,1]=4 9481 B10R0.4 CC(C)CSCCCCCO 62a_100000210624_100000746330 [0,2,0,0,0,0|1,0,1]=4 9482 B10R0.4 CC(C)CSCCCCCO 62a_100000746330_100000210760 [0,2,0,0,0,0|1,0,1]=4 9483 B10R0.4 CC(C)NCCCCCCF 2230a_100138425928_100015922095 [0,2,0,0,0,0|1,0,1]=4 9484 B10R0.4 CC(C)NCCCCCCF 34a_100138425928_100015922095 [0,2,0,0,0,0|1,0,1]=4 9485 B10R0.4 CC(C)NCCCCCCO 2230a_100000686447_100000210206 [0,2,0,0,0,0|1,0,1]=4 9486 B10R0.4 CC(C)NCCCCCCO 2230a_100138425928_100000766143 [0,2,0,0,0,0|1,0,1]=4 9487 B10R0.4 CC(C)NCCCCCCO 34a_100000686447_100000210206 [0,2,0,0,0,0|1,0,1]=4 9488 B10R0.4 CC(C)NCCCCCCO 34a_100138425928_100000766143 [0,2,0,0,0,0|1,0,1]=4 9489 B10R0.4 CC(C)NCCCCCO[13CH3] 34a_100011629493_200025704644 [0,2,0,0,0,0|1,0,1]=4 9490 B10R0.4 CC(C)OCCCCCCBr 34a_100011215345_100000210206 [0,2,0,0,0,0|1,0,1]=4 9491 B10R0.4 CC(C)OCCCCCCBr 7a_100011215345_100000210206 [0,2,0,0,0,0|1,0,1]=4 9492 B10R0.4 CC(C)OCCCCCCCl 34a_100000766143_100000210206 [0,2,0,0,0,0|1,0,1]=4 9493 B10R0.4 CC(C)OCCCCCCCl 7a_100000766143_100000210206 [0,2,0,0,0,0|1,0,1]=4 9494 B10R0.4 CC(C)OCCCCCCF 34a_100000212225_100015922095 [0,2,0,0,0,0|1,0,1]=4 9495 B10R0.4 CC(C)OCCCCCCF 34a_100000732779_100000210206 [0,2,0,0,0,0|1,0,1]=4 9496 B10R0.4 CC(C)OCCCCCCF 7a_100000732779_100000210206 [0,2,0,0,0,0|1,0,1]=4 9497 B10R0.4 CC(C)OCCCCCCN 34a_100000686447_100000210206 [0,2,0,0,0,0|1,0,1]=4 9498 B10R0.4 CC(C)OCCCCCCO 34a_100000212225_100000766143 [0,2,0,0,0,0|1,0,1]=4 9499 B10R0.4 CC(C)SCCCCCCF 62a_100000210206_100015922095 [0,2,0,0,0,0|1,0,1]=4 9500 B10R0.4 CC(C)SCCCCCCF 62a_100015922095_100000210206 [0,2,0,0,0,0|1,0,1]=4 9501 B10R0.4 CC(C)SCCCCCCO 62a_100000210206_100000766143 [0,2,0,0,0,0|1,0,1]=4 9502 B10R0.4 CC(C)SCCCCCCO 62a_100000766143_100000210206 [0,2,0,0,0,0|1,0,1]=4 9503 B10R0.4 CC(F)COCCCCCF 34a_100015925927_100000729378 [0,2,0,0,0,0|1,0,1]=4 9504 B10R0.4 CC(F)COCCCCCO 34a_100015925927_100000746330 [0,2,0,0,0,0|1,0,1]=4 9505 B10R0.4 CC(O)CCCNCCCF 2230a_100015189416_200000718107 [0,2,0,0,0,0|0,0,2]=4 9506 B10R0.4 CC(O)CCCNCCCF 34a_100015189416_200000718107 [0,2,0,0,0,0|0,0,2]=4 9507 B10R0.4 CC(O)CCCOCCCBr 34a_100011217188_200000718107 [0,2,0,0,0,0|0,0,2]=4 9508 B10R0.4 CC(O)CCCOCCCCl 34a_100000230001_200000718107 [0,2,0,0,0,0|0,0,2]=4 9509 B10R0.4 CC(O)CCCOCCCF 34a_100000759539_200000718107 [0,2,0,0,0,0|0,0,2]=4 9510 B10R0.4 CC(O)CCCOCCCN 34a_100000182051_200000718107 [0,2,0,0,0,0|0,0,2]=4 9511 B10R0.4 CC(O)CCCSCCCF 62a_100011934791_200000718107 [0,2,0,0,0,0|0,0,2]=4 9512 B10R0.4 CC(O)CCCSCCCF 62a_200000718107_100011934791 [0,2,0,0,0,0|0,0,2]=4 9513 B10R0.4 CC(O)CCCSCCCO 62a_100011215043_200000718107 [0,2,0,0,0,0|0,0,2]=4 9514 B10R0.4 CC(O)CCCSCCCO 62a_200000718107_100011215043 [0,2,0,0,0,0|0,0,2]=4 9515 B10R0.4 CC(O)CCNCCCCF 2230a_200000755665_100000729493 [0,2,0,0,0,0|0,0,2]=4 9516 B10R0.4 CC(O)CCNCCCCO 2230a_100000750430_100012276601 [0,2,0,0,0,0|0,0,2]=4 9517 B10R0.4 CC(O)CCNCCCCO 2230a_200000755665_100000210776 [0,2,0,0,0,0|0,0,2]=4 9518 B10R0.4 CC(O)CCNCCCCO 34a_100000750430_100012276601 [0,2,0,0,0,0|0,0,2]=4 9519 B10R0.4 CC(O)CCOCCCCBr 34a_100011216708_100012276601 [0,2,0,0,0,0|0,0,2]=4 9520 B10R0.4 CC(O)CCOCCCCCl 34a_100000210776_100012276601 [0,2,0,0,0,0|0,0,2]=4 9521 B10R0.4 CC(O)CCOCCCCCl 7a_100000210776_100012276601 [0,2,0,0,0,0|0,0,2]=4 9522 B10R0.4 CC(O)CCOCCCCF 34a_100011995726_100012276601 [0,2,0,0,0,0|0,0,2]=4 9523 B10R0.4 CC(O)CCOCCCCF 7a_100011995726_100012276601 [0,2,0,0,0,0|0,0,2]=4 9524 B10R0.4 CC(O)CCOCCCCI 34a_200012148704_100012276601 [0,2,0,0,0,0|0,0,2]=4 9525 B10R0.4 CC(O)CCOCCCCN 34a_100000750430_100012276601 [0,2,0,0,0,0|0,0,2]=4 9526 B10R0.4 CC(O)CCSCCCCF 62a_100000729493_100012276601 [0,2,0,0,0,0|0,0,2]=4 9527 B10R0.4 CC(O)CCSCCCCF 62a_100012276601_100000729493 [0,2,0,0,0,0|0,0,2]=4 9528 B10R0.4 CC(O)CCSCCCCO 62a_100000210776_100012276601 [0,2,0,0,0,0|0,0,2]=4 9529 B10R0.4 CC(O)CCSCCCCO 62a_100012276601_100000210776 [0,2,0,0,0,0|0,0,2]=4 9530 B10R0.4 CC(O)CNCCCCCF 2230a_100000210904_100000729378 [0,2,0,0,0,0|0,0,2]=4 9531 B10R0.4 CC(O)CNCCCCCF 34a_100000210904_100000729378 [0,2,0,0,0,0|0,0,2]=4 9532 B10R0.4 CC(O)CNCCCCCO 2230a_100000210904_100000746330 [0,2,0,0,0,0|0,0,2]=4 9533 B10R0.4 CC(O)CNCCCCCO 2230a_100000762737_100011218427 [0,2,0,0,0,0|0,0,2]=4 9534 B10R0.4 CC(O)CNCCCCCO 34a_100000210904_100000746330 [0,2,0,0,0,0|0,0,2]=4 9535 B10R0.4 CC(O)CNCCCCCO 34a_100000762737_100011218427 [0,2,0,0,0,0|0,0,2]=4 9536 B10R0.4 CC(O)COCCCCCBr 34a_100000746331_100011218427 [0,2,0,0,0,0|0,0,2]=4 9537 B10R0.4 CC(O)COCCCCCBr 7a_100000746331_100011218427 [0,2,0,0,0,0|0,0,2]=4 9538 B10R0.4 CC(O)COCCCCCCl 34a_100000746330_100011218427 [0,2,0,0,0,0|0,0,2]=4 9539 B10R0.4 CC(O)COCCCCCCl 7a_100000746330_100011218427 [0,2,0,0,0,0|0,0,2]=4 9540 B10R0.4 CC(O)COCCCCCI 34a_200012148887_100011218427 [0,2,0,0,0,0|0,0,2]=4 9541 B10R0.4 CC(O)COCCCCCI 7a_200012148887_100011218427 [0,2,0,0,0,0|0,0,2]=4 9542 B10R0.4 CC(O)COCCCCCN 34a_100000762737_100011218427 [0,2,0,0,0,0|0,0,2]=4 9543 B10R0.4 CC(O)CSCCCCCF 62a_100000729378_100011218427 [0,2,0,0,0,0|0,0,2]=4 9544 B10R0.4 CC(O)CSCCCCCF 62a_100011218427_100000729378 [0,2,0,0,0,0|0,0,2]=4 9545 B10R0.4 CC(O)CSCCCCCO 62a_100000746330_100011218427 [0,2,0,0,0,0|0,0,2]=4 9546 B10R0.4 CC(O)CSCCCCCO 62a_100011218427_100000746330 [0,2,0,0,0,0|0,0,2]=4 9547 B10R0.4 CC/C=C\CCNCC(=O)N 2230a_100000711301_100015370543 [0,2,0,0,0,0|1,0,1]=4 9548 B10R0.4 CC/C=C\CCNCC(=O)O 269956a_100016091260_100015370543 [0,2,0,0,0,0|1,0,1]=4 9549 B10R0.4 CC/C=C\CCOCC(=O)C 34a_100000211253_100015370543 [0,2,0,0,0,0|0,0,1]=3 9550 B10R0.4 CC/C=C\CCOCC(=O)N 34a_100016288707_100000187820 [0,2,0,0,0,0|1,0,1]=4 9551 B10R0.4 CC/C=C\CCOCC(=O)N 7a_100016288707_100000187820 [0,2,0,0,0,0|1,0,1]=4 9552 B10R0.4 CC/C=C\CCOCC(=O)[O-] 34a_100016288707_100020667443 [0,2,0,0,0,0|1,0,1]=4 9553 B10R0.4 CC/C=C\CCSCC(=O)N 62a_100000747473_100015370543 [0,2,0,0,0,0|1,0,1]=4 9554 B10R0.4 CC/C=C\CCSCC(=O)N 62a_100015370543_100000747473 [0,2,0,0,0,0|1,0,1]=4 9555 B10R0.4 CC/C=C\CCSCC(=O)[O-] 62a_100015370543_100020667443 [0,2,0,0,0,0|1,0,1]=4 9556 B10R0.4 CC/C=C\CCSCC(=O)[O-] 62a_100020667443_100015370543 [0,2,0,0,0,0|1,0,1]=4 9557 B10R0.4 CC/C=C\COCCC(=O)C 34a_100000759926_100103147603 [0,2,0,0,0,0|0,0,1]=3 9558 B10R0.4 CC/C=C\COCCC(=O)C 7a_100000759926_100103147603 [0,2,0,0,0,0|0,0,1]=3 9559 B10R0.4 CC/C=C\COCCC(=O)N 34a_100000757172_100103147603 [0,2,0,0,0,0|1,0,1]=4 9560 B10R0.4 CC/C=C\COCCC(=O)N 34a_100016268518_100000731001 [0,2,0,0,0,0|1,0,1]=4 9561 B10R0.4 CC/C=C\COCCC(=O)N 7a_100000757172_100103147603 [0,2,0,0,0,0|1,0,1]=4 9562 B10R0.4 CC/C=C\COCOC(=O)C 34a_100016268518_100009813279 [0,2,0,0,0,0|0,0,2]=4 9563 B10R0.4 CC/C=C\CSCCC(=O)C 62a_100000053229_100103147603 [0,2,0,0,0,0|0,0,1]=3 9564 B10R0.4 CC/C=C\CSCCC(=O)C 62a_100103147603_100000053229 [0,2,0,0,0,0|0,0,1]=3 9565 B10R0.4 CC/C=C\CSCCC(=O)N 62a_100000744528_100103147603 [0,2,0,0,0,0|1,0,1]=4 9566 B10R0.4 CC/C=C\CSCCC(=O)N 62a_100103147603_100000744528 [0,2,0,0,0,0|1,0,1]=4 9567 B10R0.4 CC/C=C\CSCOC(=O)C 62a_100000076356_100103147603 [0,2,0,0,0,0|0,0,2]=4 9568 B10R0.4 CC/C=C\CSCOC(=O)C 62a_100103147603_100000076356 [0,2,0,0,0,0|0,0,2]=4 9569 B10R0.4 CC=CCCCOCC(=O)N 34a_100020645299_100000187820 [0,2,0,0,0,0|1,0,1]=4 9570 B10R0.4 CC=CCCCOCC(=O)[O-] 34a_100020645299_100020667443 [0,2,0,0,0,0|1,0,1]=4 9571 B10R0.4 CC=CCNCCCC(=O)N 34a_100000739312_100000070051 [0,2,0,0,0,0|1,0,1]=4 9572 B10R0.4 CC=CCNCCCS(=O)C 2230a_200000753449_100000070051 [0,2,0,0,0,0|1,0,1]=4 9573 B10R0.4 CC=CCNCCNC(=O)C 2230a_100000209853_100000070051 [0,2,0,0,0,0|0,0,2]=4 9574 B10R0.4 CC=CCOCCCC(=O)C 34a_100000759063_100000070051 [0,2,0,0,0,0|0,0,1]=3 9575 B10R0.4 CC=CCOCCCC(=O)C 7a_100000759063_100000070051 [0,2,0,0,0,0|0,0,1]=3 9576 B10R0.4 CC=CCOCCNC(=O)C 34a_100000158858_100000070051 [0,2,0,0,0,0|0,0,2]=4 9577 B10R0.4 CC=CCSCCCC(=O)C 62a_100000070051_100011215641 [0,2,0,0,0,0|0,0,1]=3 9578 B10R0.4 CC=CCSCCCC(=O)C 62a_100011215641_100000070051 [0,2,0,0,0,0|0,0,1]=3 9579 B10R0.4 CC=CCSCCCC(=O)N 62a_100000070051_100102525003 [0,2,0,0,0,0|1,0,1]=4 9580 B10R0.4 CC=CCSCCCC(=O)N 62a_100102525003_100000070051 [0,2,0,0,0,0|1,0,1]=4 9581 B10R0.4 CC=CCSCCNC(=O)C 62a_100000070051_100000189650 [0,2,0,0,0,0|0,0,2]=4 9582 B10R0.4 CC=CCSCCNC(=O)C 62a_100000189650_100000070051 [0,2,0,0,0,0|0,0,2]=4 9583 B10R0.4 CC=CCSCCOC(=O)C 62a_100000070051_100009814007 [0,2,0,0,0,0|0,0,2]=4 9584 B10R0.4 CC=CCSCCOC(=O)C 62a_100009814007_100000070051 [0,2,0,0,0,0|0,0,2]=4 9585 B10R0.4 CCC#CCCOCC(=O)N 34a_100000036655_100000187820 [0,2,0,0,0,0|1,0,1]=4 9586 B10R0.4 CCC#CCCOCC(=O)N 7a_100000036655_100000187820 [0,2,0,0,0,0|1,0,1]=4 9587 B10R0.4 CCC#CCCOCC(=O)[O-] 34a_100000036655_100020667443 [0,2,0,0,0,0|1,0,1]=4 9588 B10R0.4 CCC#CCOCCC(=O)C 34a_100000759926_100009813939 [0,2,0,0,0,0|0,0,1]=3 9589 B10R0.4 CCC#CCOCCC(=O)C 7a_100000759926_100009813939 [0,2,0,0,0,0|0,0,1]=3 9590 B10R0.4 CCC#CCOCCC(=O)N 34a_100000032950_100000731001 [0,2,0,0,0,0|1,0,1]=4 9591 B10R0.4 CCC#CCOCCC(=O)N 34a_100000757172_100009813939 [0,2,0,0,0,0|1,0,1]=4 9592 B10R0.4 CCC#CCOCCC(=O)N 7a_100000757172_100009813939 [0,2,0,0,0,0|1,0,1]=4 9593 B10R0.4 CCC#CCOCOC(=O)C 34a_100000032950_100009813279 [0,2,0,0,0,0|0,0,2]=4 9594 B10R0.4 CCC#CCSCCC(=O)C 62a_100000053229_100009813939 [0,2,0,0,0,0|0,0,1]=3 9595 B10R0.4 CCC#CCSCCC(=O)C 62a_100009813939_100000053229 [0,2,0,0,0,0|0,0,1]=3 9596 B10R0.4 CCC#CCSCCC(=O)N 62a_100000744528_100009813939 [0,2,0,0,0,0|1,0,1]=4 9597 B10R0.4 CCC#CCSCCC(=O)N 62a_100009813939_100000744528 [0,2,0,0,0,0|1,0,1]=4 9598 B10R0.4 CCC#CCSCOC(=O)C 62a_100000076356_100009813939 [0,2,0,0,0,0|0,0,2]=4 9599 B10R0.4 CCC#CCSCOC(=O)C 62a_100009813939_100000076356 [0,2,0,0,0,0|0,0,2]=4 9600 B10R0.4 CCC/C=C/COCC(=O)N 34a_100016278788_100000187820 [0,2,0,0,0,0|1,0,1]=4 9601 B10R0.4 CCC/C=C/COCC(=O)N 7a_100016278788_100000187820 [0,2,0,0,0,0|1,0,1]=4 9602 B10R0.4 CCC/C=C/COCC(=O)[O-] 34a_100016278788_100020667443 [0,2,0,0,0,0|1,0,1]=4 9603 B10R0.4 CCCC#CCOCC(=O)N 34a_100000034806_100000187820 [0,2,0,0,0,0|1,0,1]=4 9604 B10R0.4 CCCC#CCOCC(=O)N 7a_100000034806_100000187820 [0,2,0,0,0,0|1,0,1]=4 9605 B10R0.4 CCCC#CCOCC(=O)[O-] 34a_100000034806_100020667443 [0,2,0,0,0,0|1,0,1]=4 9606 B10R0.4 CCCCC/C=C/CC(=O)C 1458a_100020675968_200000210301 [0,2,0,0,0,0|0,0,0]=2 9607 B10R0.4 CCCCC/C=C/CC(=O)[13CH3] 1458a_100020675968_200025704644 [0,2,0,0,0,0|0,0,0]=2 9608 B10R0.4 CCCCCC#CCC(=O)C 1458a_100000070787_100009816472 [0,2,0,0,0,0|0,0,0]=2 9609 B10R0.4 CCCCCC#CCN(C)C 2230a_100102631434_100009816472 [0,2,0,0,0,0|2,0,0]=4 9610 B10R0.4 CCCCCC#CCN(C)C 269982a_100102631434_100009816472 [0,2,0,0,0,0|2,0,0]=4 9611 B10R0.4 CCCCCC=NNC(=O)C 4a_100000189765_100000737632 [0,2,0,0,0,0|0,0,1]=3 9612 B10R0.4 CCCCCCC=CC(=O)C 1458a_200015324643_200000210301 [0,2,0,0,0,0|0,0,0]=2 9613 B10R0.4 CCCCCCC=CC(=O)[13CH3] 1458a_200015324643_200025704644 [0,2,0,0,0,0|0,0,0]=2 9614 B10R0.4 CCCCCCCCC(=O)C 1458a_100000070787_100000210759 [0,2,0,0,0,0|0,0,0]=2 9615 B10R0.4 CCCCCCCCC(=O)C 1458a_100000210188_200000210301 [0,2,0,0,0,0|0,0,0]=2 9616 B10R0.4 CCCCCCCCC(=O)[13CH3] 1458a_100000210188_200025704644 [0,2,0,0,0,0|0,0,0]=2 9617 B10R0.4 CCCCCCCCN(C)C 2230a_100000207567_200000210301 [0,2,0,0,0,0|2,0,0]=4 9618 B10R0.4 CCCCCCCCN(C)C 2230a_100102631434_100000210759 [0,2,0,0,0,0|2,0,0]=4 9619 B10R0.4 CCCCCCCCN(C)C 269982a_100000207567_200000210301 [0,2,0,0,0,0|2,0,0]=4 9620 B10R0.4 CCCCCCCCN(C)C 269982a_100102631434_100000210759 [0,2,0,0,0,0|2,0,0]=4 9621 B10R0.4 CCCCCCCCN(C)[13CH3] 2230a_100000207567_200025704644 [0,2,0,0,0,0|2,0,0]=4 9622 B10R0.4 CCCCCCCCN(C)[13CH3] 269982a_100000207567_200025704644 [0,2,0,0,0,0|2,0,0]=4 9623 B10R0.4 CCCCCCCNC(=O)C 11a_100000229938_100015343762 [0,2,0,0,0,0|0,0,0]=2 9624 B10R0.4 CCCCCCCNC(=O)C 1626a_100000229938_100015343762 [0,2,0,0,0,0|0,0,0]=2 9625 B10R0.4 CCCCCCCNC(=O)C 240690a_100000229938_100015343762 [0,2,0,0,0,0|0,0,0]=2 9626 B10R0.4 CCCCCCCNC(=O)C 527a_100000229938_100103153847 [0,2,0,0,0,0|0,0,0]=2 9627 B10R0.4 CCCCCCCNC(C)C 2230a_100000229938_100000210206 [0,2,0,0,0,0|1,0,1]=4 9628 B10R0.4 CCCCCCCNC(C)C 2230a_100138425928_100000210681 [0,2,0,0,0,0|1,0,1]=4 9629 B10R0.4 CCCCCCCNC(C)C 34a_100138425928_100000210614 [0,2,0,0,0,0|1,0,1]=4 9630 B10R0.4 CCCCCCCOC(C)C 34a_100000210272_100000210206 [0,2,0,0,0,0|1,0,1]=4 9631 B10R0.4 CCCCCCCOC(C)C 34a_100000212225_100000210614 [0,2,0,0,0,0|1,0,1]=4 9632 B10R0.4 CCCCCCCOC(C)C 7a_100000210272_100000210206 [0,2,0,0,0,0|1,0,1]=4 9633 B10R0.4 CCCCCCCSC(C)C 62a_100000210206_100000210316 [0,2,0,0,0,0|1,0,1]=4 9634 B10R0.4 CCCCCCCSC(C)C 62a_100000210614_100000210206 [0,2,0,0,0,0|1,0,1]=4 9635 B10R0.4 CCCCCCNCC(=O)N 2230a_100000210581_100000747473 [0,2,0,0,0,0|1,0,0]=3 9636 B10R0.4 CCCCCCNCC(=O)N 2230a_100000711301_100000210314 [0,2,0,0,0,0|1,0,0]=3 9637 B10R0.4 CCCCCCNCC(=O)O 269956a_100016091260_100000210757 [0,2,0,0,0,0|1,0,0]=3 9638 B10R0.4 CCCCCCNCC(C)C 2230a_100000210581_100000210760 [0,2,0,0,0,0|1,0,1]=4 9639 B10R0.4 CCCCCCNCC(C)C 2230a_100000210953_100000210314 [0,2,0,0,0,0|1,0,1]=4 9640 B10R0.4 CCCCCCNCC(C)C 270004a_100000210581_100000210432 [0,2,0,0,0,0|1,0,1]=4 9641 B10R0.4 CCCCCCNCC(C)C 34a_100000210953_100000210314 [0,2,0,0,0,0|1,0,1]=4 9642 B10R0.4 CCCCCCNCC(C)O 2230a_100000210581_100011218427 [0,2,0,0,0,0|0,0,2]=4 9643 B10R0.4 CCCCCCNCC(C)O 2230a_100000210904_100000210314 [0,2,0,0,0,0|0,0,2]=4 9644 B10R0.4 CCCCCCNCC(C)O 34a_100000210904_100000210314 [0,2,0,0,0,0|0,0,2]=4 9645 B10R0.4 CCCCCCNC[C@@H](C)O 2230a_100000210581_100009817552 [0,2,0,0,0,0|0,0,2]=4 9646 B10R0.4 CCCCCCOCC(=O)C 34a_100000211253_100000210314 [0,2,0,0,0,0|0,0,0]=2 9647 B10R0.4 CCCCCCOCC(=O)N 34a_100000210259_100000187820 [0,2,0,0,0,0|1,0,0]=3 9648 B10R0.4 CCCCCCOCC(=O)N 7a_100000210259_100000187820 [0,2,0,0,0,0|1,0,0]=3 9649 B10R0.4 CCCCCCOCC(=O)[O-] 34a_100000210259_100020667443 [0,2,0,0,0,0|1,0,0]=3 9650 B10R0.4 CCCCCCOCC(C)Br 34a_100012180447_100000210314 [0,2,0,0,0,0|1,0,1]=4 9651 B10R0.4 CCCCCCOCC(C)C 34a_100000210257_100000210314 [0,2,0,0,0,0|1,0,1]=4 9652 B10R0.4 CCCCCCOCC(C)C 34a_100000210259_100000210624 [0,2,0,0,0,0|1,0,1]=4 9653 B10R0.4 CCCCCCOCC(C)C 7a_100000210259_100000210760 [0,2,0,0,0,0|1,0,1]=4 9654 B10R0.4 CCCCCCOCC(C)F 34a_100015925927_100000210314 [0,2,0,0,0,0|1,0,1]=4 9655 B10R0.4 CCCCCCOCC(C)O 34a_100000210259_100011218427 [0,2,0,0,0,0|0,0,2]=4 9656 B10R0.4 CCCCCCOCC(C)O 7a_100000210259_100011218427 [0,2,0,0,0,0|0,0,2]=4 9657 B10R0.4 CCCCCCOC[C@@H](C)Cl 34a_100016084084_100000210314 [0,2,0,0,0,0|1,0,1]=4 9658 B10R0.4 CCCCCCOC[C@@H](C)N 34a_100000737577_100000210314 [0,2,0,0,0,0|1,0,1]=4 9659 B10R0.4 CCCCCCOC[C@@H](C)O 34a_100000210259_100009817552 [0,2,0,0,0,0|0,0,2]=4 9660 B10R0.4 CCCCCCOC[C@@H](C)O 7a_100000210259_100009817552 [0,2,0,0,0,0|0,0,2]=4 9661 B10R0.4 CCCCCCOC[N+](=O)[O-] 34a_100000210259_100000761209 [0,2,0,0,0,0|2,0,0]=4 9662 B10R0.4 CCCCCCSCC(=O)N 62a_100000210314_100000747473 [0,2,0,0,0,0|1,0,0]=3 9663 B10R0.4 CCCCCCSCC(=O)N 62a_100000747473_100000210757 [0,2,0,0,0,0|1,0,0]=3 9664 B10R0.4 CCCCCCSCC(=O)[O-] 62a_100000210314_100020667443 [0,2,0,0,0,0|1,0,0]=3 9665 B10R0.4 CCCCCCSCC(=O)[O-] 62a_100020667443_100000210757 [0,2,0,0,0,0|1,0,0]=3 9666 B10R0.4 CCCCCCSCC(C)C 62a_100000210314_100000210760 [0,2,0,0,0,0|1,0,1]=4 9667 B10R0.4 CCCCCCSCC(C)C 62a_100000210624_100000210757 [0,2,0,0,0,0|1,0,1]=4 9668 B10R0.4 CCCCCCSCC(C)O 62a_100000210314_100011218427 [0,2,0,0,0,0|0,0,2]=4 9669 B10R0.4 CCCCCCSCC(C)O 62a_100011218427_100000210757 [0,2,0,0,0,0|0,0,2]=4 9670 B10R0.4 CCCCCCSC[C@@H](C)O 62a_100000210314_100009817552 [0,2,0,0,0,0|0,0,2]=4 9671 B10R0.4 CCCCCCSC[C@@H](C)O 62a_100009817552_100000210757 [0,2,0,0,0,0|0,0,2]=4 9672 B10R0.4 CCCCCCSC[N+](=O)[O-] 62a_100000210314_100000761209 [0,2,0,0,0,0|2,0,0]=4 9673 B10R0.4 CCCCCNCC=C(C)C 2230a_100000209983_100000761012 [0,2,0,0,0,0|1,0,0]=3 9674 B10R0.4 CCCCCNCC=C(C)C 34a_100000718196_100000718602 [0,2,0,0,0,0|1,0,0]=3 9675 B10R0.4 CCCCCNCCC(=O)N 2230a_100000209983_100000744528 [0,2,0,0,0,0|1,0,0]=3 9676 B10R0.4 CCCCCNCCC(C)C 2230a_100000209983_100000210312 [0,2,0,0,0,0|1,0,1]=4 9677 B10R0.4 CCCCCNCCC(C)C 269862a_100000209983_100000185833 [0,2,0,0,0,0|1,0,1]=4 9678 B10R0.4 CCCCCNCCC(C)O 2230a_100000209983_100012276601 [0,2,0,0,0,0|0,0,2]=4 9679 B10R0.4 CCCCCNCCC(C)O 2230a_200000755665_100000210326 [0,2,0,0,0,0|0,0,2]=4 9680 B10R0.4 CCCCCNCOC(C)C 2230a_100000209983_100000709892 [0,2,0,0,0,0|1,0,1]=4 9681 B10R0.4 CCCCCNOCC(=O)O 269956a_100000106656_100000210326 [0,2,0,0,0,0|1,0,0]=3 9682 B10R0.4 CCCCCOCC=C(C)C 34a_100000210253_100000761012 [0,2,0,0,0,0|1,0,0]=3 9683 B10R0.4 CCCCCOCC=C(C)C 34a_100000753907_100000718602 [0,2,0,0,0,0|1,0,0]=3 9684 B10R0.4 CCCCCOCC=C(C)C 7a_100000210253_100000761012 [0,2,0,0,0,0|1,0,0]=3 9685 B10R0.4 CCCCCOCCC(=O)C 34a_100000759926_100000718602 [0,2,0,0,0,0|0,0,0]=2 9686 B10R0.4 CCCCCOCCC(=O)C 7a_100000210253_100000053229 [0,2,0,0,0,0|0,0,0]=2 9687 B10R0.4 CCCCCOCCC(=O)C 7a_100000759926_100000210326 [0,2,0,0,0,0|0,0,0]=2 9688 B10R0.4 CCCCCOCCC(=O)N 34a_100000210253_100000731001 [0,2,0,0,0,0|1,0,0]=3 9689 B10R0.4 CCCCCOCCC(=O)N 34a_100000757172_100000718602 [0,2,0,0,0,0|1,0,0]=3 9690 B10R0.4 CCCCCOCCC(=O)N 7a_100000210253_100000744528 [0,2,0,0,0,0|1,0,0]=3 9691 B10R0.4 CCCCCOCCC(=O)N 7a_100000757172_100000210326 [0,2,0,0,0,0|1,0,0]=3 9692 B10R0.4 CCCCCOCCC(C)Br 34a_100009893172_100000718602 [0,2,0,0,0,0|1,0,1]=4 9693 B10R0.4 CCCCCOCCC(C)C 34a_100000210253_100000210312 [0,2,0,0,0,0|1,0,1]=4 9694 B10R0.4 CCCCCOCCC(C)C 34a_100000210254_100000718602 [0,2,0,0,0,0|1,0,1]=4 9695 B10R0.4 CCCCCOCCC(C)C 7a_100000210253_100000210626 [0,2,0,0,0,0|1,0,1]=4 9696 B10R0.4 CCCCCOCCC(C)C 7a_100000210254_100000210326 [0,2,0,0,0,0|1,0,1]=4 9697 B10R0.4 CCCCCOCCC(C)O 34a_100000210253_100012276601 [0,2,0,0,0,0|0,0,2]=4 9698 B10R0.4 CCCCCOCCC(C)O 7a_100000210253_100012276601 [0,2,0,0,0,0|0,0,2]=4 9699 B10R0.4 CCCCCOCCN(C)C 7a_100000210253_100000755713 [0,2,0,0,0,0|2,0,0]=4 9700 B10R0.4 CCCCCOCC[C@@H](C)N 34a_100000706166_100000718602 [0,2,0,0,0,0|1,0,1]=4 9701 B10R0.4 CCCCCOCOC(=O)C 34a_100000210253_100009813279 [0,2,0,0,0,0|0,0,0]=2 9702 B10R0.4 CCCCCOCOC(C)C 34a_100000210253_100000709892 [0,2,0,0,0,0|1,0,1]=4 9703 B10R0.4 CCCCCSCC=C(C)C 62a_100000210326_100000761012 [0,2,0,0,0,0|1,0,0]=3 9704 B10R0.4 CCCCCSCC=C(C)C 62a_100000761012_100000210326 [0,2,0,0,0,0|1,0,0]=3 9705 B10R0.4 CCCCCSCCC(=O)C 62a_100000053229_100000210326 [0,2,0,0,0,0|0,0,0]=2 9706 B10R0.4 CCCCCSCCC(=O)C 62a_100000210326_100000053229 [0,2,0,0,0,0|0,0,0]=2 9707 B10R0.4 CCCCCSCCC(=O)N 62a_100000210326_100000744528 [0,2,0,0,0,0|1,0,0]=3 9708 B10R0.4 CCCCCSCCC(=O)N 62a_100000744528_100000210326 [0,2,0,0,0,0|1,0,0]=3 9709 B10R0.4 CCCCCSCCC(C)C 62a_100000210312_100000210326 [0,2,0,0,0,0|1,0,1]=4 9710 B10R0.4 CCCCCSCCC(C)C 62a_100000210326_100000210312 [0,2,0,0,0,0|1,0,1]=4 9711 B10R0.4 CCCCCSCCC(C)O 62a_100000210326_100012276601 [0,2,0,0,0,0|0,0,2]=4 9712 B10R0.4 CCCCCSCCC(C)O 62a_100012276601_100000210326 [0,2,0,0,0,0|0,0,2]=4 9713 B10R0.4 CCCCCSCCN(C)C 62a_100000210326_100000755713 [0,2,0,0,0,0|2,0,0]=4 9714 B10R0.4 CCCCCSCOC(=O)C 62a_100000076356_100000210326 [0,2,0,0,0,0|0,0,0]=2 9715 B10R0.4 CCCCCSCOC(=O)C 62a_100000210326_100000076356 [0,2,0,0,0,0|0,0,0]=2 9716 B10R0.4 CCCCCSCOC(C)C 62a_100000210326_100000709892 [0,2,0,0,0,0|1,0,1]=4 9717 B10R0.4 CCCCCSCOC(C)C 62a_100000709892_100000210326 [0,2,0,0,0,0|1,0,1]=4 9718 B10R0.4 CCCCNCCC=C(C)C 2230a_100000102301_100011217483 [0,2,0,0,0,0|1,0,0]=3 9719 B10R0.4 CCCCNCCC=C(C)C 7a_106832991798_100011217483 [0,2,0,0,0,0|1,0,0]=3 9720 B10R0.4 CCCCNCCC=C(F)F 2230a_100000102301_200009816681 [0,2,0,0,0,0|2,0,0]=4 9721 B10R0.4 CCCCNCCC=C(F)F 7a_106832991798_200009816681 [0,2,0,0,0,0|2,0,0]=4 9722 B10R0.4 CCCCNCCCC(=O)C 7a_106832991798_100011215641 [0,2,0,0,0,0|0,0,0]=2 9723 B10R0.4 CCCCNCCCC(=O)N 34a_100000739312_100000210210 [0,2,0,0,0,0|1,0,0]=3 9724 B10R0.4 CCCCNCCCC(=O)N 7a_106832991798_100102525003 [0,2,0,0,0,0|1,0,0]=3 9725 B10R0.4 CCCCNCCCC(C)C 2230a_100000102301_100011214892 [0,2,0,0,0,0|1,0,1]=4 9726 B10R0.4 CCCCNCCCC(C)C 2230a_200000737386_100000210211 [0,2,0,0,0,0|1,0,1]=4 9727 B10R0.4 CCCCNCCCC(C)C 34a_200000737386_100000210210 [0,2,0,0,0,0|1,0,1]=4 9728 B10R0.4 CCCCNCCCC(C)C 7a_106832991798_100011214892 [0,2,0,0,0,0|1,0,1]=4 9729 B10R0.4 CCCCNCCCC(C)O 2230a_100000102301_200000718107 [0,2,0,0,0,0|0,0,2]=4 9730 B10R0.4 CCCCNCCCC(C)O 7a_106832991798_200000718107 [0,2,0,0,0,0|0,0,2]=4 9731 B10R0.4 CCCCNCCCN(C)C 7a_106832991798_100000757444 [0,2,0,0,0,0|2,0,0]=4 9732 B10R0.4 CCCCNCCCS(=O)C 2230a_200000753449_100000210211 [0,2,0,0,0,0|1,0,0]=3 9733 B10R0.4 CCCCNCCNC(=O)C 2230a_100000102301_100000189650 [0,2,0,0,0,0|0,0,0]=2 9734 B10R0.4 CCCCNCCNC(=O)C 2230a_100000209853_100000210211 [0,2,0,0,0,0|0,0,0]=2 9735 B10R0.4 CCCCNCCNC(=O)C 7a_106832991798_100000189650 [0,2,0,0,0,0|0,0,0]=2 9736 B10R0.4 CCCCNCCNC(=O)N 2230a_100000102301_200000034859 [0,2,0,0,0,0|1,0,0]=3 9737 B10R0.4 CCCCNCCNC(=O)N 34a_100020590234_100000210210 [0,2,0,0,0,0|1,0,0]=3 9738 B10R0.4 CCCCNCCNC(=O)N 7a_106832991798_200000034859 [0,2,0,0,0,0|1,0,0]=3 9739 B10R0.4 CCCCNCCOC(=O)C 7a_106832991798_100009814007 [0,2,0,0,0,0|0,0,0]=2 9740 B10R0.4 CCCCNCCOC(=O)N 7a_106832991798_200011214921 [0,2,0,0,0,0|1,0,0]=3 9741 B10R0.4 CCCCNCCOC(C)C 2230a_100000102301_100000211751 [0,2,0,0,0,0|1,0,1]=4 9742 B10R0.4 CCCCNCCOC(C)C 2230a_100000701111_100000210211 [0,2,0,0,0,0|1,0,1]=4 9743 B10R0.4 CCCCNCCOC(C)C 34a_100000701111_100000210210 [0,2,0,0,0,0|1,0,1]=4 9744 B10R0.4 CCCCNCCOC(C)C 7a_106832991798_100000211751 [0,2,0,0,0,0|1,0,1]=4 9745 B10R0.4 CCCCNCCSC(C)C 2230a_100000102301_100000730970 [0,2,0,0,0,0|1,0,1]=4 9746 B10R0.4 CCCCNCCSC(C)C 2230a_100000731138_100000210211 [0,2,0,0,0,0|1,0,1]=4 9747 B10R0.4 CCCCNCCSC(C)C 34a_100000731138_100000210210 [0,2,0,0,0,0|1,0,1]=4 9748 B10R0.4 CCCCNCCSC(C)C 7a_106832991798_100000730970 [0,2,0,0,0,0|1,0,1]=4 9749 B10R0.4 CCCCOCCC=C(C)C 34a_100000210227_100011217483 [0,2,0,0,0,0|1,0,0]=3 9750 B10R0.4 CCCCOCCC=C(C)C 7a_100000210227_100011217483 [0,2,0,0,0,0|1,0,0]=3 9751 B10R0.4 CCCCOCCC=C(F)F 34a_100000210227_200009816681 [0,2,0,0,0,0|2,0,0]=4 9752 B10R0.4 CCCCOCCC=C(F)F 7a_100000210227_200009816681 [0,2,0,0,0,0|2,0,0]=4 9753 B10R0.4 CCCCOCCCC(=O)C 34a_100000210227_100000685027 [0,2,0,0,0,0|0,0,0]=2 9754 B10R0.4 CCCCOCCCC(=O)C 34a_100000759063_100000210210 [0,2,0,0,0,0|0,0,0]=2 9755 B10R0.4 CCCCOCCCC(=O)C 7a_100000210227_100011215641 [0,2,0,0,0,0|0,0,0]=2 9756 B10R0.4 CCCCOCCCC(=O)C 7a_100000759063_100000210211 [0,2,0,0,0,0|0,0,0]=2 9757 B10R0.4 CCCCOCCCC(=O)N 34a_100000210227_100102525003 [0,2,0,0,0,0|1,0,0]=3 9758 B10R0.4 CCCCOCCCC(=O)N 7a_100000210227_100102525003 [0,2,0,0,0,0|1,0,0]=3 9759 B10R0.4 CCCCOCCCC(C)C 34a_100000210227_100011214892 [0,2,0,0,0,0|1,0,1]=4 9760 B10R0.4 CCCCOCCCC(C)C 34a_100000210774_100000210210 [0,2,0,0,0,0|1,0,1]=4 9761 B10R0.4 CCCCOCCCC(C)C 7a_100000210227_100011214892 [0,2,0,0,0,0|1,0,1]=4 9762 B10R0.4 CCCCOCCCC(C)C 7a_100000210774_100000210211 [0,2,0,0,0,0|1,0,1]=4 9763 B10R0.4 CCCCOCCCC(C)O 34a_100000210227_200000718107 [0,2,0,0,0,0|0,0,2]=4 9764 B10R0.4 CCCCOCCCC(C)O 7a_100000210227_200000718107 [0,2,0,0,0,0|0,0,2]=4 9765 B10R0.4 CCCCOCCCN(C)C 7a_100000210227_100000757444 [0,2,0,0,0,0|2,0,0]=4 9766 B10R0.4 CCCCOCCC[N+](=O)[O-] 34a_200000037920_100000210210 [0,2,0,0,0,0|2,0,0]=4 9767 B10R0.4 CCCCOCCNC(=O)C 34a_100000158858_100000210210 [0,2,0,0,0,0|0,0,0]=2 9768 B10R0.4 CCCCOCCNC(=O)C 7a_100000210227_100000189650 [0,2,0,0,0,0|0,0,0]=2 9769 B10R0.4 CCCCOCCNC(=O)N 34a_100000181757_100000210210 [0,2,0,0,0,0|1,0,0]=3 9770 B10R0.4 CCCCOCCNC(=O)N 7a_100000210227_200000034859 [0,2,0,0,0,0|1,0,0]=3 9771 B10R0.4 CCCCOCCNC(C)C 2230a_100138425928_100000743108 [0,2,0,0,0,0|1,0,1]=4 9772 B10R0.4 CCCCOCCNC(C)C 34a_100000224655_100000210210 [0,2,0,0,0,0|1,0,1]=4 9773 B10R0.4 CCCCOCCNC(C)C 34a_100138425928_100000743108 [0,2,0,0,0,0|1,0,1]=4 9774 B10R0.4 CCCCOCCOC(=O)C 34a_100000210227_100009814007 [0,2,0,0,0,0|0,0,0]=2 9775 B10R0.4 CCCCOCCOC(=O)C 7a_100000210227_100009814007 [0,2,0,0,0,0|0,0,0]=2 9776 B10R0.4 CCCCOCCOC(=O)N 34a_100000210227_200011214921 [0,2,0,0,0,0|1,0,0]=3 9777 B10R0.4 CCCCOCCOC(=O)N 7a_100000210227_200011214921 [0,2,0,0,0,0|1,0,0]=3 9778 B10R0.4 CCCCOCCOC(=O)N 7a_100000766696_100000210211 [0,2,0,0,0,0|1,0,0]=3 9779 B10R0.4 CCCCOCCOC(C)C 34a_100000210227_100000211751 [0,2,0,0,0,0|1,0,1]=4 9780 B10R0.4 CCCCOCCOC(C)C 34a_100000210238_100000210206 [0,2,0,0,0,0|1,0,1]=4 9781 B10R0.4 CCCCOCCOC(C)C 34a_100000211219_100000210210 [0,2,0,0,0,0|1,0,1]=4 9782 B10R0.4 CCCCOCCOC(C)C 34a_100000212225_100000743108 [0,2,0,0,0,0|1,0,1]=4 9783 B10R0.4 CCCCOCCOC(C)C 7a_100000210227_100000211751 [0,2,0,0,0,0|1,0,1]=4 9784 B10R0.4 CCCCOCCOC(C)C 7a_100000210238_100000210206 [0,2,0,0,0,0|1,0,1]=4 9785 B10R0.4 CCCCOCCOC(C)C 7a_100000211219_100000210211 [0,2,0,0,0,0|1,0,1]=4 9786 B10R0.4 CCCCOCCSC(C)C 34a_100000210227_100000730970 [0,2,0,0,0,0|1,0,1]=4 9787 B10R0.4 CCCCOCCSC(C)C 34a_200011212901_100000210210 [0,2,0,0,0,0|1,0,1]=4 9788 B10R0.4 CCCCOCCSC(C)C 62a_100000210206_100000743108 [0,2,0,0,0,0|1,0,1]=4 9789 B10R0.4 CCCCOCCSC(C)C 62a_100000743108_100000210206 [0,2,0,0,0,0|1,0,1]=4 9790 B10R0.4 CCCCOCCSC(C)C 7a_100000210227_100000730970 [0,2,0,0,0,0|1,0,1]=4 9791 B10R0.4 CCCCOCCSC(C)C 7a_200011212901_100000210211 [0,2,0,0,0,0|1,0,1]=4 9792 B10R0.4 CCCCOCNCC(=O)N 2230a_100000711301_100011995733 [0,2,0,0,0,0|1,0,0]=3 9793 B10R0.4 CCCCOCNCC(=O)O 269956a_100016091260_100011995733 [0,2,0,0,0,0|1,0,0]=3 9794 B10R0.4 CCCCOCNCC(C)C 2230a_100000210953_100011995733 [0,2,0,0,0,0|1,0,1]=4 9795 B10R0.4 CCCCOCNCC(C)C 34a_100000210953_100011995733 [0,2,0,0,0,0|1,0,1]=4 9796 B10R0.4 CCCCOCNCC(C)O 2230a_100000210904_100011995733 [0,2,0,0,0,0|0,0,2]=4 9797 B10R0.4 CCCCOCNCC(C)O 34a_100000210904_100011995733 [0,2,0,0,0,0|0,0,2]=4 9798 B10R0.4 CCCCOCOCC(=O)C 34a_100000211253_100011995733 [0,2,0,0,0,0|0,0,0]=2 9799 B10R0.4 CCCCOCOCC(C)Br 34a_100012180447_100011995733 [0,2,0,0,0,0|1,0,1]=4 9800 B10R0.4 CCCCOCOCC(C)C 34a_100000210257_100011995733 [0,2,0,0,0,0|1,0,1]=4 9801 B10R0.4 CCCCOCOCC(C)F 34a_100015925927_100011995733 [0,2,0,0,0,0|1,0,1]=4 9802 B10R0.4 CCCCOCOC[C@@H](C)Cl 34a_100016084084_100011995733 [0,2,0,0,0,0|1,0,1]=4 9803 B10R0.4 CCCCOCOC[C@@H](C)N 34a_100000737577_100011995733 [0,2,0,0,0,0|1,0,1]=4 9804 B10R0.4 CCCCOCSCC(=O)N 62a_100000747473_100011995733 [0,2,0,0,0,0|1,0,0]=3 9805 B10R0.4 CCCCOCSCC(=O)N 62a_100011995733_100000747473 [0,2,0,0,0,0|1,0,0]=3 9806 B10R0.4 CCCCOCSCC(=O)[O-] 62a_100011995733_100020667443 [0,2,0,0,0,0|1,0,0]=3 9807 B10R0.4 CCCCOCSCC(=O)[O-] 62a_100020667443_100011995733 [0,2,0,0,0,0|1,0,0]=3 9808 B10R0.4 CCCCOCSCC(C)C 62a_100000210624_100011995733 [0,2,0,0,0,0|1,0,1]=4 9809 B10R0.4 CCCCOCSCC(C)C 62a_100011995733_100000210760 [0,2,0,0,0,0|1,0,1]=4 9810 B10R0.4 CCCCOCSCC(C)O 62a_100011218427_100011995733 [0,2,0,0,0,0|0,0,2]=4 9811 B10R0.4 CCCCOCSCC(C)O 62a_100011995733_100011218427 [0,2,0,0,0,0|0,0,2]=4 9812 B10R0.4 CCCCOCSC[C@@H](C)O 62a_100009817552_100011995733 [0,2,0,0,0,0|0,0,2]=4 9813 B10R0.4 CCCCOCSC[C@@H](C)O 62a_100011995733_100009817552 [0,2,0,0,0,0|0,0,2]=4 9814 B10R0.4 CCCCOCSC[N+](=O)[O-] 62a_100011995733_100000761209 [0,2,0,0,0,0|2,0,0]=4 9815 B10R0.4 CCCCSCCC=C(C)C 62a_100000210211_100011217483 [0,2,0,0,0,0|1,0,0]=3 9816 B10R0.4 CCCCSCCC=C(C)C 62a_100011217483_100000210210 [0,2,0,0,0,0|1,0,0]=3 9817 B10R0.4 CCCCSCCC=C(F)F 62a_100000210211_200009816681 [0,2,0,0,0,0|2,0,0]=4 9818 B10R0.4 CCCCSCCC=C(F)F 62a_200009816681_100000210210 [0,2,0,0,0,0|2,0,0]=4 9819 B10R0.4 CCCCSCCCC(=O)C 62a_100000210211_100011215641 [0,2,0,0,0,0|0,0,0]=2 9820 B10R0.4 CCCCSCCCC(=O)C 62a_100011215641_100000210210 [0,2,0,0,0,0|0,0,0]=2 9821 B10R0.4 CCCCSCCCC(=O)N 62a_100000210211_100102525003 [0,2,0,0,0,0|1,0,0]=3 9822 B10R0.4 CCCCSCCCC(=O)N 62a_100102525003_100000210210 [0,2,0,0,0,0|1,0,0]=3 9823 B10R0.4 CCCCSCCCC(C)C 62a_100000210211_100011214892 [0,2,0,0,0,0|1,0,1]=4 9824 B10R0.4 CCCCSCCCC(C)C 62a_100011214892_100000210210 [0,2,0,0,0,0|1,0,1]=4 9825 B10R0.4 CCCCSCCCC(C)O 62a_100000210211_200000718107 [0,2,0,0,0,0|0,0,2]=4 9826 B10R0.4 CCCCSCCCC(C)O 62a_200000718107_100000210210 [0,2,0,0,0,0|0,0,2]=4 9827 B10R0.4 CCCCSCCCN(C)C 62a_100000210211_100000757444 [0,2,0,0,0,0|2,0,0]=4 9828 B10R0.4 CCCCSCCNC(=O)C 11a_100025743550_100015343762 [0,2,0,0,0,0|0,0,0]=2 9829 B10R0.4 CCCCSCCNC(=O)C 1626a_100025743550_100015343762 [0,2,0,0,0,0|0,0,0]=2 9830 B10R0.4 CCCCSCCNC(=O)C 240690a_100025743550_100015343762 [0,2,0,0,0,0|0,0,0]=2 9831 B10R0.4 CCCCSCCNC(=O)C 527a_100025743550_100103153847 [0,2,0,0,0,0|0,0,0]=2 9832 B10R0.4 CCCCSCCNC(=O)C 62a_100000189650_100000210210 [0,2,0,0,0,0|0,0,0]=2 9833 B10R0.4 CCCCSCCNC(=O)C 62a_100000210211_100000189650 [0,2,0,0,0,0|0,0,0]=2 9834 B10R0.4 CCCCSCCNC(=O)N 62a_100000210211_200000034859 [0,2,0,0,0,0|1,0,0]=3 9835 B10R0.4 CCCCSCCNC(=O)N 62a_200000034859_100000210210 [0,2,0,0,0,0|1,0,0]=3 9836 B10R0.4 CCCCSCCNC(C)C 2230a_100025743550_100000210206 [0,2,0,0,0,0|1,0,1]=4 9837 B10R0.4 CCCCSCCOC(=O)C 62a_100000210211_100009814007 [0,2,0,0,0,0|0,0,0]=2 9838 B10R0.4 CCCCSCCOC(=O)C 62a_100009814007_100000210210 [0,2,0,0,0,0|0,0,0]=2 9839 B10R0.4 CCCCSCCOC(=O)N 62a_100000210211_200011214921 [0,2,0,0,0,0|1,0,0]=3 9840 B10R0.4 CCCCSCCOC(=O)N 62a_200011214921_100000210210 [0,2,0,0,0,0|1,0,0]=3 9841 B10R0.4 CCCCSCCOC(C)C 34a_200000230436_100000210206 [0,2,0,0,0,0|1,0,1]=4 9842 B10R0.4 CCCCSCCOC(C)C 62a_100000210211_100000211751 [0,2,0,0,0,0|1,0,1]=4 9843 B10R0.4 CCCCSCCOC(C)C 62a_100000211751_100000210210 [0,2,0,0,0,0|1,0,1]=4 9844 B10R0.4 CCCCSCCOC(C)C 7a_200000230436_100000210206 [0,2,0,0,0,0|1,0,1]=4 9845 B10R0.4 CCCCSCCSC(C)C 62a_100000210211_100000730970 [0,2,0,0,0,0|1,0,1]=4 9846 B10R0.4 CCCCSCCSC(C)C 62a_100000730970_100000210210 [0,2,0,0,0,0|1,0,1]=4 9847 B10R0.4 CCCNCCCCC(=O)N 34a_100000696515_100000210303 [0,2,0,0,0,0|1,0,0]=3 9848 B10R0.4 CCCNCCCNC(=O)C 34a_100000736810_100000210303 [0,2,0,0,0,0|0,0,0]=2 9849 B10R0.4 CCCNCCCOC(C)C 2230a_100000737246_100000210303 [0,2,0,0,0,0|1,0,1]=4 9850 B10R0.4 CCCNCCCOC(C)C 34a_100000737246_100000210303 [0,2,0,0,0,0|1,0,1]=4 9851 B10R0.4 CCCNCCOCC(=O)O 269956a_100000700818_100000210207 [0,2,0,0,0,0|1,0,0]=3 9852 B10R0.4 CCCOCCCCC(=O)C 34a_100000210258_100009817362 [0,2,0,0,0,0|0,0,0]=2 9853 B10R0.4 CCCOCCCCC(=O)N 34a_100012022536_100000210303 [0,2,0,0,0,0|1,0,0]=3 9854 B10R0.4 CCCOCCCCC(=O)N 7a_100012022536_100000210303 [0,2,0,0,0,0|1,0,0]=3 9855 B10R0.4 CCCOCCCCC(C)C 34a_100000210258_100011216152 [0,2,0,0,0,0|1,0,1]=4 9856 B10R0.4 CCCOCCCCC(C)C 34a_100011214890_100000210303 [0,2,0,0,0,0|1,0,1]=4 9857 B10R0.4 CCCOCCCCC(C)C 7a_100011214890_100000210303 [0,2,0,0,0,0|1,0,1]=4 9858 B10R0.4 CCCOCCCC[N+](=O)[O-] 34a_200015379883_100000210303 [0,2,0,0,0,0|2,0,0]=4 9859 B10R0.4 CCCOCCCC[N+](=O)[O-] 7a_200015379883_100000210303 [0,2,0,0,0,0|2,0,0]=4 9860 B10R0.4 CCCOCCCNC(=O)C 1626a_100011217757_100015343762 [0,2,0,0,0,0|0,0,0]=2 9861 B10R0.4 CCCOCCCNC(=O)C 240690a_100011217757_100015343762 [0,2,0,0,0,0|0,0,0]=2 9862 B10R0.4 CCCOCCCNC(=O)C 34a_100000752032_100000210303 [0,2,0,0,0,0|0,0,0]=2 9863 B10R0.4 CCCOCCCNC(=O)C 527a_100011217757_100103153847 [0,2,0,0,0,0|0,0,0]=2 9864 B10R0.4 CCCOCCCNC(C)C 2230a_100011217757_100000210206 [0,2,0,0,0,0|1,0,1]=4 9865 B10R0.4 CCCOCCCNC(C)C 34a_100000182298_100000210303 [0,2,0,0,0,0|1,0,1]=4 9866 B10R0.4 CCCOCCCNC(C)C 34a_100011217757_100000210206 [0,2,0,0,0,0|1,0,1]=4 9867 B10R0.4 CCCOCCCOC(=O)C 34a_100000210258_100000042594 [0,2,0,0,0,0|0,0,0]=2 9868 B10R0.4 CCCOCCCOC(=S)C 34a_100000210258_200135323944 [0,2,0,0,0,0|0,1,0]=3 9869 B10R0.4 CCCOCCCSC(=O)C 34a_100000210258_100000038929 [0,2,0,0,0,0|0,0,0]=2 9870 B10R0.4 CCCOCCNCC(=O)N 2230a_100000711301_100011215938 [0,2,0,0,0,0|1,0,0]=3 9871 B10R0.4 CCCOCCNCC(=O)N 2230a_100161115042_100000747473 [0,2,0,0,0,0|1,0,0]=3 9872 B10R0.4 CCCOCCNCC(=O)N 34a_100161115042_100000187820 [0,2,0,0,0,0|1,0,0]=3 9873 B10R0.4 CCCOCCNCC(=O)O 269956a_100016091260_100011215938 [0,2,0,0,0,0|1,0,0]=3 9874 B10R0.4 CCCOCCNCC(=O)[O-] 34a_100161115042_100020667443 [0,2,0,0,0,0|1,0,0]=3 9875 B10R0.4 CCCOCCNCC(C)C 2230a_100000210953_100011215938 [0,2,0,0,0,0|1,0,1]=4 9876 B10R0.4 CCCOCCNCC(C)C 2230a_100161115042_100000210760 [0,2,0,0,0,0|1,0,1]=4 9877 B10R0.4 CCCOCCNCC(C)C 270004a_100161115042_100000210432 [0,2,0,0,0,0|1,0,1]=4 9878 B10R0.4 CCCOCCNCC(C)C 34a_100000210953_100011215938 [0,2,0,0,0,0|1,0,1]=4 9879 B10R0.4 CCCOCCNCC(C)C 34a_100015185251_100000210303 [0,2,0,0,0,0|1,0,1]=4 9880 B10R0.4 CCCOCCNCC(C)C 34a_100161115042_100000210624 [0,2,0,0,0,0|1,0,1]=4 9881 B10R0.4 CCCOCCNCC(C)O 2230a_100000210904_100011215938 [0,2,0,0,0,0|0,0,2]=4 9882 B10R0.4 CCCOCCNCC(C)O 2230a_100161115042_100011218427 [0,2,0,0,0,0|0,0,2]=4 9883 B10R0.4 CCCOCCNCC(C)O 34a_100000210904_100011215938 [0,2,0,0,0,0|0,0,2]=4 9884 B10R0.4 CCCOCCNCC(C)O 34a_100161115042_100011218427 [0,2,0,0,0,0|0,0,2]=4 9885 B10R0.4 CCCOCCNC[C@@H](C)O 2230a_100161115042_100009817552 [0,2,0,0,0,0|0,0,2]=4 9886 B10R0.4 CCCOCCNC[C@@H](C)O 34a_100161115042_100009817552 [0,2,0,0,0,0|0,0,2]=4 9887 B10R0.4 CCCOCCNC[N+](=O)[O-] 34a_100161115042_100000761209 [0,2,0,0,0,0|2,0,0]=4 9888 B10R0.4 CCCOCCOCC(=O)C 34a_100000211253_100011215938 [0,2,0,0,0,0|0,0,0]=2 9889 B10R0.4 CCCOCCOCC(=O)N 34a_100000210258_100000076697 [0,2,0,0,0,0|1,0,0]=3 9890 B10R0.4 CCCOCCOCC(=O)N 34a_100000752267_100000187820 [0,2,0,0,0,0|1,0,0]=3 9891 B10R0.4 CCCOCCOCC(=O)N 7a_100000752267_100000187820 [0,2,0,0,0,0|1,0,0]=3 9892 B10R0.4 CCCOCCOCC(=O)[O-] 34a_100000752267_100020667443 [0,2,0,0,0,0|1,0,0]=3 9893 B10R0.4 CCCOCCOCC(C)Br 34a_100012180447_100011215938 [0,2,0,0,0,0|1,0,1]=4 9894 B10R0.4 CCCOCCOCC(C)C 34a_100000210257_100011215938 [0,2,0,0,0,0|1,0,1]=4 9895 B10R0.4 CCCOCCOCC(C)C 34a_100000703358_100000210303 [0,2,0,0,0,0|1,0,1]=4 9896 B10R0.4 CCCOCCOCC(C)C 34a_100000752267_100000210624 [0,2,0,0,0,0|1,0,1]=4 9897 B10R0.4 CCCOCCOCC(C)C 7a_100000703358_100000210303 [0,2,0,0,0,0|1,0,1]=4 9898 B10R0.4 CCCOCCOCC(C)C 7a_100000752267_100000210760 [0,2,0,0,0,0|1,0,1]=4 9899 B10R0.4 CCCOCCOCC(C)F 34a_100015925927_100011215938 [0,2,0,0,0,0|1,0,1]=4 9900 B10R0.4 CCCOCCOCC(C)O 34a_100000752267_100011218427 [0,2,0,0,0,0|0,0,2]=4 9901 B10R0.4 CCCOCCOCC(C)O 7a_100000752267_100011218427 [0,2,0,0,0,0|0,0,2]=4 9902 B10R0.4 CCCOCCOC[C@@H](C)Cl 34a_100016084084_100011215938 [0,2,0,0,0,0|1,0,1]=4 9903 B10R0.4 CCCOCCOC[C@@H](C)N 34a_100000737577_100011215938 [0,2,0,0,0,0|1,0,1]=4 9904 B10R0.4 CCCOCCOC[C@@H](C)O 34a_100000752267_100009817552 [0,2,0,0,0,0|0,0,2]=4 9905 B10R0.4 CCCOCCOC[C@@H](C)O 7a_100000752267_100009817552 [0,2,0,0,0,0|0,0,2]=4 9906 B10R0.4 CCCOCCOC[N+](=O)[O-] 34a_100000752267_100000761209 [0,2,0,0,0,0|2,0,0]=4 9907 B10R0.4 CCCOCCSCC(=O)N 62a_100000747473_100011215938 [0,2,0,0,0,0|1,0,0]=3 9908 B10R0.4 CCCOCCSCC(=O)N 62a_100011215938_100000747473 [0,2,0,0,0,0|1,0,0]=3 9909 B10R0.4 CCCOCCSCC(=O)[O-] 62a_100011215938_100020667443 [0,2,0,0,0,0|1,0,0]=3 9910 B10R0.4 CCCOCCSCC(=O)[O-] 62a_100020667443_100011215938 [0,2,0,0,0,0|1,0,0]=3 9911 B10R0.4 CCCOCCSCC(C)C 34a_200000230437_100000210303 [0,2,0,0,0,0|1,0,1]=4 9912 B10R0.4 CCCOCCSCC(C)C 62a_100000210624_100011215938 [0,2,0,0,0,0|1,0,1]=4 9913 B10R0.4 CCCOCCSCC(C)C 62a_100011215938_100000210760 [0,2,0,0,0,0|1,0,1]=4 9914 B10R0.4 CCCOCCSCC(C)C 7a_200000230437_100000210303 [0,2,0,0,0,0|1,0,1]=4 9915 B10R0.4 CCCOCCSCC(C)O 62a_100011215938_100011218427 [0,2,0,0,0,0|0,0,2]=4 9916 B10R0.4 CCCOCCSCC(C)O 62a_100011218427_100011215938 [0,2,0,0,0,0|0,0,2]=4 9917 B10R0.4 CCCOCCSC[C@@H](C)O 62a_100009817552_100011215938 [0,2,0,0,0,0|0,0,2]=4 9918 B10R0.4 CCCOCCSC[C@@H](C)O 62a_100011215938_100009817552 [0,2,0,0,0,0|0,0,2]=4 9919 B10R0.4 CCCOCCSC[N+](=O)[O-] 62a_100011215938_100000761209 [0,2,0,0,0,0|2,0,0]=4 9920 B10R0.4 CCCSCCCCC(=O)C 62a_100000210303_100000735457 [0,2,0,0,0,0|0,0,0]=2 9921 B10R0.4 CCCSCCCCC(=O)C 62a_100000735457_100000210303 [0,2,0,0,0,0|0,0,0]=2 9922 B10R0.4 CCCSCCCCC(C)C 62a_100000210303_100011216152 [0,2,0,0,0,0|1,0,1]=4 9923 B10R0.4 CCCSCCCCC(C)C 62a_100011216152_100000210303 [0,2,0,0,0,0|1,0,1]=4 9924 B10R0.4 CCCSCCCCN(C)C 62a_100000210303_100000690147 [0,2,0,0,0,0|2,0,0]=4 9925 B10R0.4 CCCSCCCOC(=O)C 62a_100000042594_100000210303 [0,2,0,0,0,0|0,0,0]=2 9926 B10R0.4 CCCSCCCOC(=O)C 62a_100000210303_100000042594 [0,2,0,0,0,0|0,0,0]=2 9927 B10R0.4 CCCSCCCOC(=S)C 62a_100000210303_200135323944 [0,2,0,0,0,0|0,1,0]=3 9928 B10R0.4 CCCSCCCOC(=S)C 62a_200135323944_100000210303 [0,2,0,0,0,0|0,1,0]=3 9929 B10R0.4 CCCSCCCSC(=O)C 62a_100000038929_100000210303 [0,2,0,0,0,0|0,0,0]=2 9930 B10R0.4 CCCSCCCSC(=O)C 62a_100000210303_100000038929 [0,2,0,0,0,0|0,0,0]=2 9931 B10R0.4 CCCSCCNCC(=O)N 2230a_100020603323_100000747473 [0,2,0,0,0,0|1,0,0]=3 9932 B10R0.4 CCCSCCNCC(C)C 2230a_100020603323_100000210760 [0,2,0,0,0,0|1,0,1]=4 9933 B10R0.4 CCCSCCNCC(C)C 270004a_100020603323_100000210432 [0,2,0,0,0,0|1,0,1]=4 9934 B10R0.4 CCCSCCNCC(C)O 2230a_100020603323_100011218427 [0,2,0,0,0,0|0,0,2]=4 9935 B10R0.4 CCCSCCNC[C@@H](C)O 2230a_100020603323_100009817552 [0,2,0,0,0,0|0,0,2]=4 9936 B10R0.4 CCCSCCOCC(=O)N 34a_200000230433_100000187820 [0,2,0,0,0,0|1,0,0]=3 9937 B10R0.4 CCCSCCOCC(=O)N 62a_100000076697_100000210303 [0,2,0,0,0,0|1,0,0]=3 9938 B10R0.4 CCCSCCOCC(=O)N 62a_100000210303_100000076697 [0,2,0,0,0,0|1,0,0]=3 9939 B10R0.4 CCCSCCOCC(=O)N 7a_200000230433_100000187820 [0,2,0,0,0,0|1,0,0]=3 9940 B10R0.4 CCCSCCOCC(=O)[O-] 34a_200000230433_100020667443 [0,2,0,0,0,0|1,0,0]=3 9941 B10R0.4 CCCSCCOCC(C)C 34a_200000230433_100000210624 [0,2,0,0,0,0|1,0,1]=4 9942 B10R0.4 CCCSCCOCC(C)C 7a_200000230433_100000210760 [0,2,0,0,0,0|1,0,1]=4 9943 B10R0.4 CCCSCCOCC(C)O 34a_200000230433_100011218427 [0,2,0,0,0,0|0,0,2]=4 9944 B10R0.4 CCCSCCOCC(C)O 7a_200000230433_100011218427 [0,2,0,0,0,0|0,0,2]=4 9945 B10R0.4 CCCSCCOC[C@@H](C)O 34a_200000230433_100009817552 [0,2,0,0,0,0|0,0,2]=4 9946 B10R0.4 CCCSCCOC[C@@H](C)O 7a_200000230433_100009817552 [0,2,0,0,0,0|0,0,2]=4 9947 B10R0.4 CCCSCCOC[N+](=O)[O-] 34a_200000230433_100000761209 [0,2,0,0,0,0|2,0,0]=4 9948 B10R0.4 CCNCCCCCC(=O)N 2230a_100015525214_100009817443 [0,2,0,0,0,0|1,0,0]=3 9949 B10R0.4 CCNCCCCCC(C)C 2230a_100011290863_100000210202 [0,2,0,0,0,0|1,0,1]=4 9950 B10R0.4 CCNCCCCCC(C)C 2230a_100015525214_100000210682 [0,2,0,0,0,0|1,0,1]=4 9951 B10R0.4 CCNCCCCCC(C)C 34a_100011290863_100000210202 [0,2,0,0,0,0|1,0,1]=4 9952 B10R0.4 CCNCCCCNC(=O)C 2230a_200011368371_100000210202 [0,2,0,0,0,0|0,0,0]=2 9953 B10R0.4 CCNCCCCNC(=O)C 34a_200011368371_100000210202 [0,2,0,0,0,0|0,0,0]=2 9954 B10R0.4 CCNCCCCSC(=O)C 2230a_100015525214_200010402107 [0,2,0,0,0,0|0,0,0]=2 9955 B10R0.4 CCNCCCOCC(C)C 2230a_100000205972_100000210202 [0,2,0,0,0,0|1,0,1]=4 9956 B10R0.4 CCNCCCOCC(C)C 34a_100000205972_100000210202 [0,2,0,0,0,0|1,0,1]=4 9957 B10R0.4 CCOCCCCCC(=O)N 34a_100000123541_100000210202 [0,2,0,0,0,0|1,0,0]=3 9958 B10R0.4 CCOCCCCCC(=O)N 34a_100121572206_100009817443 [0,2,0,0,0,0|1,0,0]=3 9959 B10R0.4 CCOCCCCCC(=O)N 7a_100000123541_100000210202 [0,2,0,0,0,0|1,0,0]=3 9960 B10R0.4 CCOCCCCCC(=O)[O-] 7a_100102619762_100000210202 [0,2,0,0,0,0|1,0,0]=3 9961 B10R0.4 CCOCCCCCC(C)C 34a_100011995859_100000210202 [0,2,0,0,0,0|1,0,1]=4 9962 B10R0.4 CCOCCCCCC(C)C 34a_100121572206_100000210682 [0,2,0,0,0,0|1,0,1]=4 9963 B10R0.4 CCOCCCCCC(C)C 7a_100011995859_100000210202 [0,2,0,0,0,0|1,0,1]=4 9964 B10R0.4 CCOCCCCNC(C)C 34a_100011521146_100000210202 [0,2,0,0,0,0|1,0,1]=4 9965 B10R0.4 CCOCCCCOC(=O)C 34a_100000073216_100000210202 [0,2,0,0,0,0|0,0,0]=2 9966 B10R0.4 CCOCCCCOC(=O)C 34a_100121572206_100000033659 [0,2,0,0,0,0|0,0,0]=2 9967 B10R0.4 CCOCCCCOC(=O)C 7a_100000073216_100000210202 [0,2,0,0,0,0|0,0,0]=2 9968 B10R0.4 CCOCCCCO[N+](=O)[O-] 34a_100121572206_100015694321 [0,2,0,0,0,0|2,0,0]=4 9969 B10R0.4 CCOCCCCSC(=O)C 34a_100121572206_200010402107 [0,2,0,0,0,0|0,0,0]=2 9970 B10R0.4 CCOCCCNCC(=O)N 2230a_100000210961_100000747473 [0,2,0,0,0,0|1,0,0]=3 9971 B10R0.4 CCOCCCNCC(=O)N 2230a_100000711301_100012232248 [0,2,0,0,0,0|1,0,0]=3 9972 B10R0.4 CCOCCCNCC(=O)N 34a_100000210961_100000187820 [0,2,0,0,0,0|1,0,0]=3 9973 B10R0.4 CCOCCCNCC(=O)O 269956a_100016091260_100012232248 [0,2,0,0,0,0|1,0,0]=3 9974 B10R0.4 CCOCCCNCC(=O)[O-] 34a_100000210961_100020667443 [0,2,0,0,0,0|1,0,0]=3 9975 B10R0.4 CCOCCCNCC(C)C 2230a_100000210953_100012232248 [0,2,0,0,0,0|1,0,1]=4 9976 B10R0.4 CCOCCCNCC(C)C 2230a_100000210961_100000210760 [0,2,0,0,0,0|1,0,1]=4 9977 B10R0.4 CCOCCCNCC(C)C 270004a_100000210961_100000210432 [0,2,0,0,0,0|1,0,1]=4 9978 B10R0.4 CCOCCCNCC(C)C 34a_100000210953_100012232248 [0,2,0,0,0,0|1,0,1]=4 9979 B10R0.4 CCOCCCNCC(C)C 34a_100000210961_100000210624 [0,2,0,0,0,0|1,0,1]=4 9980 B10R0.4 CCOCCCNCC(C)O 2230a_100000210904_100012232248 [0,2,0,0,0,0|0,0,2]=4 9981 B10R0.4 CCOCCCNCC(C)O 2230a_100000210961_100011218427 [0,2,0,0,0,0|0,0,2]=4 9982 B10R0.4 CCOCCCNCC(C)O 34a_100000210904_100012232248 [0,2,0,0,0,0|0,0,2]=4 9983 B10R0.4 CCOCCCNCC(C)O 34a_100000210961_100011218427 [0,2,0,0,0,0|0,0,2]=4 9984 B10R0.4 CCOCCCNC[C@@H](C)O 2230a_100000210961_100009817552 [0,2,0,0,0,0|0,0,2]=4 9985 B10R0.4 CCOCCCNC[C@@H](C)O 34a_100000210961_100009817552 [0,2,0,0,0,0|0,0,2]=4 9986 B10R0.4 CCOCCCNC[N+](=O)[O-] 34a_100000210961_100000761209 [0,2,0,0,0,0|2,0,0]=4 9987 B10R0.4 CCOCCCOCC(=O)C 34a_100000211253_100012232248 [0,2,0,0,0,0|0,0,0]=2 9988 B10R0.4 CCOCCCOCC(=O)N 34a_100000757476_100000187820 [0,2,0,0,0,0|1,0,0]=3 9989 B10R0.4 CCOCCCOCC(=O)N 7a_100000757476_100000187820 [0,2,0,0,0,0|1,0,0]=3 9990 B10R0.4 CCOCCCOCC(=O)[O-] 34a_100000757476_100020667443 [0,2,0,0,0,0|1,0,0]=3 9991 B10R0.4 CCOCCCOCC(C)Br 34a_100012180447_100012232248 [0,2,0,0,0,0|1,0,1]=4 9992 B10R0.4 CCOCCCOCC(C)C 34a_100000210257_100012232248 [0,2,0,0,0,0|1,0,1]=4 9993 B10R0.4 CCOCCCOCC(C)C 34a_100000757476_100000210624 [0,2,0,0,0,0|1,0,1]=4 9994 B10R0.4 CCOCCCOCC(C)C 7a_100000757476_100000210760 [0,2,0,0,0,0|1,0,1]=4 9995 B10R0.4 CCOCCCOCC(C)F 34a_100015925927_100012232248 [0,2,0,0,0,0|1,0,1]=4 9996 B10R0.4 CCOCCCOCC(C)O 34a_100000757476_100011218427 [0,2,0,0,0,0|0,0,2]=4 9997 B10R0.4 CCOCCCOCC(C)O 7a_100000757476_100011218427 [0,2,0,0,0,0|0,0,2]=4 9998 B10R0.4 CCOCCCOC[C@@H](C)Cl 34a_100016084084_100012232248 [0,2,0,0,0,0|1,0,1]=4 9999 B10R0.4 CCOCCCOC[C@@H](C)N 34a_100000737577_100012232248 [0,2,0,0,0,0|1,0,1]=4 10000 B10R0.4 CCOCCCOC[C@@H](C)O 34a_100000757476_100009817552 [0,2,0,0,0,0|0,0,2]=4 10001 B10R0.4 CCOCCCOC[C@@H](C)O 7a_100000757476_100009817552 [0,2,0,0,0,0|0,0,2]=4 10002 B10R0.4 CCOCCCOC[N+](=O)[O-] 34a_100000757476_100000761209 [0,2,0,0,0,0|2,0,0]=4 10003 B10R0.4 CCOCCCSCC(=O)N 62a_100000747473_100012232248 [0,2,0,0,0,0|1,0,0]=3 10004 B10R0.4 CCOCCCSCC(=O)N 62a_100012232248_100000747473 [0,2,0,0,0,0|1,0,0]=3 10005 B10R0.4 CCOCCCSCC(=O)[O-] 62a_100012232248_100020667443 [0,2,0,0,0,0|1,0,0]=3 10006 B10R0.4 CCOCCCSCC(=O)[O-] 62a_100020667443_100012232248 [0,2,0,0,0,0|1,0,0]=3 10007 B10R0.4 CCOCCCSCC(C)C 62a_100000210624_100012232248 [0,2,0,0,0,0|1,0,1]=4 10008 B10R0.4 CCOCCCSCC(C)C 62a_100012232248_100000210760 [0,2,0,0,0,0|1,0,1]=4 10009 B10R0.4 CCOCCCSCC(C)O 62a_100011218427_100012232248 [0,2,0,0,0,0|0,0,2]=4 10010 B10R0.4 CCOCCCSCC(C)O 62a_100012232248_100011218427 [0,2,0,0,0,0|0,0,2]=4 10011 B10R0.4 CCOCCCSC[C@@H](C)O 62a_100009817552_100012232248 [0,2,0,0,0,0|0,0,2]=4 10012 B10R0.4 CCOCCCSC[C@@H](C)O 62a_100012232248_100009817552 [0,2,0,0,0,0|0,0,2]=4 10013 B10R0.4 CCOCCCSC[N+](=O)[O-] 62a_100012232248_100000761209 [0,2,0,0,0,0|2,0,0]=4 10014 B10R0.4 CCOCCNCC=C(C)C 2230a_102516460346_100000761012 [0,2,0,0,0,0|1,0,1]=4 10015 B10R0.4 CCOCCNCC=C(C)C 34a_100000718196_100000210147 [0,2,0,0,0,0|1,0,1]=4 10016 B10R0.4 CCOCCNCC=C(C)C 34a_102516460346_100000761012 [0,2,0,0,0,0|1,0,1]=4 10017 B10R0.4 CCOCCNCCC(=O)N 2230a_102516460346_100000744528 [0,2,0,0,0,0|1,0,0]=3 10018 B10R0.4 CCOCCNCCC(=O)N 34a_102516460346_100000731001 [0,2,0,0,0,0|1,0,0]=3 10019 B10R0.4 CCOCCNCCC(C)C 2230a_102516460346_100000210312 [0,2,0,0,0,0|1,0,1]=4 10020 B10R0.4 CCOCCNCCC(C)C 269862a_100011200944_100000185833 [0,2,0,0,0,0|1,0,1]=4 10021 B10R0.4 CCOCCNCCC(C)C 34a_102516460346_100000210312 [0,2,0,0,0,0|1,0,1]=4 10022 B10R0.4 CCOCCNCCC(C)O 2230a_102516460346_100012276601 [0,2,0,0,0,0|0,0,2]=4 10023 B10R0.4 CCOCCNCCC(C)O 2230a_200000755665_100011215890 [0,2,0,0,0,0|0,0,2]=4 10024 B10R0.4 CCOCCNCCC(C)O 34a_102516460346_100012276601 [0,2,0,0,0,0|0,0,2]=4 10025 B10R0.4 CCOCCNCOC(=O)C 34a_102516460346_100009813279 [0,2,0,0,0,0|1,0,0]=3 10026 B10R0.4 CCOCCNOCC(=O)O 269956a_100000106656_100000210147 [0,2,0,0,0,0|2,0,0]=4 10027 B10R0.4 CCOCCOCC=C(C)C 34a_100000210136_100000761012 [0,2,0,0,0,0|1,0,1]=4 10028 B10R0.4 CCOCCOCC=C(C)C 34a_100000753907_100000210147 [0,2,0,0,0,0|1,0,1]=4 10029 B10R0.4 CCOCCOCC=C(C)C 7a_100000210136_100000761012 [0,2,0,0,0,0|1,0,1]=4 10030 B10R0.4 CCOCCOCCC(=O)C 1458a_100000070787_100011211534 [0,2,0,0,0,0|0,0,0]=2 10031 B10R0.4 CCOCCOCCC(=O)C 34a_100000759926_100000210147 [0,2,0,0,0,0|0,0,0]=2 10032 B10R0.4 CCOCCOCCC(=O)C 7a_100000210136_100000053229 [0,2,0,0,0,0|0,0,0]=2 10033 B10R0.4 CCOCCOCCC(=O)C 7a_100000759926_100011215890 [0,2,0,0,0,0|0,0,0]=2 10034 B10R0.4 CCOCCOCCC(=O)N 34a_100000210136_100000731001 [0,2,0,0,0,0|1,0,0]=3 10035 B10R0.4 CCOCCOCCC(=O)N 34a_100000757172_100000210147 [0,2,0,0,0,0|1,0,0]=3 10036 B10R0.4 CCOCCOCCC(=O)N 7a_100000210136_100000744528 [0,2,0,0,0,0|1,0,0]=3 10037 B10R0.4 CCOCCOCCC(=O)N 7a_100000757172_100011215890 [0,2,0,0,0,0|1,0,0]=3 10038 B10R0.4 CCOCCOCCC(C)Br 34a_100009893172_100000210147 [0,2,0,0,0,0|1,0,1]=4 10039 B10R0.4 CCOCCOCCC(C)C 34a_100000210136_100000210312 [0,2,0,0,0,0|1,0,1]=4 10040 B10R0.4 CCOCCOCCC(C)C 34a_100000210254_100000210147 [0,2,0,0,0,0|1,0,1]=4 10041 B10R0.4 CCOCCOCCC(C)C 7a_100000210136_100000210626 [0,2,0,0,0,0|1,0,1]=4 10042 B10R0.4 CCOCCOCCC(C)C 7a_100000210254_100011215890 [0,2,0,0,0,0|1,0,1]=4 10043 B10R0.4 CCOCCOCCC(C)O 34a_100000210136_100012276601 [0,2,0,0,0,0|0,0,2]=4 10044 B10R0.4 CCOCCOCCC(C)O 7a_100000210136_100012276601 [0,2,0,0,0,0|0,0,2]=4 10045 B10R0.4 CCOCCOCCN(C)C 2230a_100102631434_100011211534 [0,2,0,0,0,0|2,0,0]=4 10046 B10R0.4 CCOCCOCCN(C)C 269982a_100102631434_100011211534 [0,2,0,0,0,0|2,0,0]=4 10047 B10R0.4 CCOCCOCCN(C)C 7a_100000210136_100000755713 [0,2,0,0,0,0|2,0,0]=4 10048 B10R0.4 CCOCCOCC[C@@H](C)N 34a_100000706166_100000210147 [0,2,0,0,0,0|1,0,1]=4 10049 B10R0.4 CCOCCOCOC(=O)C 34a_100000210136_100009813279 [0,2,0,0,0,0|1,0,0]=3 10050 B10R0.4 CCOCCSCC=C(C)C 62a_100000210147_100000761012 [0,2,0,0,0,0|1,0,1]=4 10051 B10R0.4 CCOCCSCC=C(C)C 62a_100000761012_100011215890 [0,2,0,0,0,0|1,0,1]=4 10052 B10R0.4 CCOCCSCCC(=O)C 62a_100000053229_100011215890 [0,2,0,0,0,0|0,0,0]=2 10053 B10R0.4 CCOCCSCCC(=O)C 62a_100000210147_100000053229 [0,2,0,0,0,0|0,0,0]=2 10054 B10R0.4 CCOCCSCCC(=O)N 62a_100000210147_100000744528 [0,2,0,0,0,0|1,0,0]=3 10055 B10R0.4 CCOCCSCCC(=O)N 62a_100000744528_100011215890 [0,2,0,0,0,0|1,0,0]=3 10056 B10R0.4 CCOCCSCCC(C)C 62a_100000210147_100000210312 [0,2,0,0,0,0|1,0,1]=4 10057 B10R0.4 CCOCCSCCC(C)C 62a_100000210312_100011215890 [0,2,0,0,0,0|1,0,1]=4 10058 B10R0.4 CCOCCSCCC(C)O 62a_100000210147_100012276601 [0,2,0,0,0,0|0,0,2]=4 10059 B10R0.4 CCOCCSCCC(C)O 62a_100012276601_100011215890 [0,2,0,0,0,0|0,0,2]=4 10060 B10R0.4 CCOCCSCCN(C)C 62a_100000210147_100000755713 [0,2,0,0,0,0|2,0,0]=4 10061 B10R0.4 CCOCCSCOC(=O)C 62a_100000076356_100011215890 [0,2,0,0,0,0|1,0,0]=3 10062 B10R0.4 CCOCCSCOC(=O)C 62a_100000210147_100000076356 [0,2,0,0,0,0|1,0,0]=3 10063 B10R0.4 CCOCOCCOC(=O)C 34a_100121572206_100000076355 [0,2,0,0,0,0|1,0,0]=3 10064 B10R0.4 CCOCSCCC=C(C)C 62a_100000739092_100011217483 [0,2,0,0,0,0|1,0,1]=4 10065 B10R0.4 CCOCSCCC=C(C)C 62a_100011217483_100000739092 [0,2,0,0,0,0|1,0,1]=4 10066 B10R0.4 CCOCSCCCC(=O)C 62a_100000739092_100011215641 [0,2,0,0,0,0|0,0,0]=2 10067 B10R0.4 CCOCSCCCC(=O)C 62a_100011215641_100000739092 [0,2,0,0,0,0|0,0,0]=2 10068 B10R0.4 CCOCSCCCC(=O)N 62a_100000739092_100102525003 [0,2,0,0,0,0|1,0,0]=3 10069 B10R0.4 CCOCSCCCC(=O)N 62a_100102525003_100000739092 [0,2,0,0,0,0|1,0,0]=3 10070 B10R0.4 CCOCSCCCC(C)C 62a_100000739092_100011214892 [0,2,0,0,0,0|1,0,1]=4 10071 B10R0.4 CCOCSCCCC(C)C 62a_100011214892_100000739092 [0,2,0,0,0,0|1,0,1]=4 10072 B10R0.4 CCOCSCCCC(C)O 62a_100000739092_200000718107 [0,2,0,0,0,0|0,0,2]=4 10073 B10R0.4 CCOCSCCCC(C)O 62a_200000718107_100000739092 [0,2,0,0,0,0|0,0,2]=4 10074 B10R0.4 CCOCSCCCN(C)C 62a_100000739092_100000757444 [0,2,0,0,0,0|2,0,0]=4 10075 B10R0.4 CCOCSCCNC(=O)C 62a_100000189650_100000739092 [0,2,0,0,0,0|1,0,0]=3 10076 B10R0.4 CCOCSCCNC(=O)C 62a_100000739092_100000189650 [0,2,0,0,0,0|1,0,0]=3 10077 B10R0.4 CCOCSCCNC(=O)N 62a_100000739092_200000034859 [0,2,0,0,0,0|2,0,0]=4 10078 B10R0.4 CCOCSCCNC(=O)N 62a_200000034859_100000739092 [0,2,0,0,0,0|2,0,0]=4 10079 B10R0.4 CCOCSCCOC(=O)C 62a_100000739092_100009814007 [0,2,0,0,0,0|1,0,0]=3 10080 B10R0.4 CCOCSCCOC(=O)C 62a_100009814007_100000739092 [0,2,0,0,0,0|1,0,0]=3 10081 B10R0.4 CCOCSCCOC(=O)N 62a_100000739092_200011214921 [0,2,0,0,0,0|2,0,0]=4 10082 B10R0.4 CCOCSCCOC(=O)N 62a_200011214921_100000739092 [0,2,0,0,0,0|2,0,0]=4 10083 B10R0.4 CCSCCCCCC(=O)N 62a_100000210202_100009817443 [0,2,0,0,0,0|1,0,0]=3 10084 B10R0.4 CCSCCCCCC(=O)N 62a_100009817443_100000210202 [0,2,0,0,0,0|1,0,0]=3 10085 B10R0.4 CCSCCCCCC(C)C 62a_100000210202_100000210682 [0,2,0,0,0,0|1,0,1]=4 10086 B10R0.4 CCSCCCCCC(C)C 62a_100000210682_100000210202 [0,2,0,0,0,0|1,0,1]=4 10087 B10R0.4 CCSCCCCOC(=O)C 62a_100000033659_100000210202 [0,2,0,0,0,0|0,0,0]=2 10088 B10R0.4 CCSCCCCOC(=O)C 62a_100000210202_100000033659 [0,2,0,0,0,0|0,0,0]=2 10089 B10R0.4 CCSCCCCO[N+](=O)[O-] 62a_100000210202_100015694321 [0,2,0,0,0,0|2,0,0]=4 10090 B10R0.4 CCSCCCCSC(=O)C 62a_100000210202_200010402107 [0,2,0,0,0,0|0,0,0]=2 10091 B10R0.4 CCSCCCCSC(=O)C 62a_200010402107_100000210202 [0,2,0,0,0,0|0,0,0]=2 10092 B10R0.4 CCSCCCOCC(=O)N 34a_100011216438_100000187820 [0,2,0,0,0,0|1,0,0]=3 10093 B10R0.4 CCSCCCOCC(=O)N 7a_100011216438_100000187820 [0,2,0,0,0,0|1,0,0]=3 10094 B10R0.4 CCSCCCOCC(=O)[O-] 34a_100011216438_100020667443 [0,2,0,0,0,0|1,0,0]=3 10095 B10R0.4 CCSCCCOCC(C)C 34a_100011216438_100000210624 [0,2,0,0,0,0|1,0,1]=4 10096 B10R0.4 CCSCCCOCC(C)C 7a_100011216438_100000210760 [0,2,0,0,0,0|1,0,1]=4 10097 B10R0.4 CCSCCCOCC(C)O 34a_100011216438_100011218427 [0,2,0,0,0,0|0,0,2]=4 10098 B10R0.4 CCSCCCOCC(C)O 7a_100011216438_100011218427 [0,2,0,0,0,0|0,0,2]=4 10099 B10R0.4 CCSCCCOC[C@@H](C)O 34a_100011216438_100009817552 [0,2,0,0,0,0|0,0,2]=4 10100 B10R0.4 CCSCCCOC[C@@H](C)O 7a_100011216438_100009817552 [0,2,0,0,0,0|0,0,2]=4 10101 B10R0.4 CCSCCCOC[N+](=O)[O-] 34a_100011216438_100000761209 [0,2,0,0,0,0|2,0,0]=4 10102 B10R0.4 CCSCCNCC=C(C)C 2230a_100000106463_100000761012 [0,2,0,0,0,0|1,0,1]=4 10103 B10R0.4 CCSCCNCC=C(C)C 34a_100000718196_100000757381 [0,2,0,0,0,0|1,0,1]=4 10104 B10R0.4 CCSCCNCCC(=O)N 2230a_100000106463_100000744528 [0,2,0,0,0,0|1,0,0]=3 10105 B10R0.4 CCSCCNCCC(C)C 2230a_100000106463_100000210312 [0,2,0,0,0,0|1,0,1]=4 10106 B10R0.4 CCSCCNCCC(C)C 269862a_100000106463_100000185833 [0,2,0,0,0,0|1,0,1]=4 10107 B10R0.4 CCSCCNCCC(C)O 2230a_100000106463_100012276601 [0,2,0,0,0,0|0,0,2]=4 10108 B10R0.4 CCSCCNCCC(C)O 2230a_200000755665_100000757381 [0,2,0,0,0,0|0,0,2]=4 10109 B10R0.4 CCSCCNOCC(=O)O 269956a_100000106656_100000757381 [0,2,0,0,0,0|2,0,0]=4 10110 B10R0.4 CCSCCOCC=C(C)C 34a_100000212035_100000761012 [0,2,0,0,0,0|1,0,1]=4 10111 B10R0.4 CCSCCOCC=C(C)C 34a_100000753907_100000757381 [0,2,0,0,0,0|1,0,1]=4 10112 B10R0.4 CCSCCOCC=C(C)C 7a_100000212035_100000761012 [0,2,0,0,0,0|1,0,1]=4 10113 B10R0.4 CCSCCOCCC(=O)C 34a_100000759926_100000757381 [0,2,0,0,0,0|0,0,0]=2 10114 B10R0.4 CCSCCOCCC(=O)C 7a_100000212035_100000053229 [0,2,0,0,0,0|0,0,0]=2 10115 B10R0.4 CCSCCOCCC(=O)C 7a_100000759926_100000757381 [0,2,0,0,0,0|0,0,0]=2 10116 B10R0.4 CCSCCOCCC(=O)N 34a_100000212035_100000731001 [0,2,0,0,0,0|1,0,0]=3 10117 B10R0.4 CCSCCOCCC(=O)N 34a_100000757172_100000757381 [0,2,0,0,0,0|1,0,0]=3 10118 B10R0.4 CCSCCOCCC(=O)N 7a_100000212035_100000744528 [0,2,0,0,0,0|1,0,0]=3 10119 B10R0.4 CCSCCOCCC(=O)N 7a_100000757172_100000757381 [0,2,0,0,0,0|1,0,0]=3 10120 B10R0.4 CCSCCOCCC(C)Br 34a_100009893172_100000757381 [0,2,0,0,0,0|1,0,1]=4 10121 B10R0.4 CCSCCOCCC(C)C 34a_100000210254_100000757381 [0,2,0,0,0,0|1,0,1]=4 10122 B10R0.4 CCSCCOCCC(C)C 34a_100000212035_100000210312 [0,2,0,0,0,0|1,0,1]=4 10123 B10R0.4 CCSCCOCCC(C)C 7a_100000210254_100000757381 [0,2,0,0,0,0|1,0,1]=4 10124 B10R0.4 CCSCCOCCC(C)C 7a_100000212035_100000210626 [0,2,0,0,0,0|1,0,1]=4 10125 B10R0.4 CCSCCOCCC(C)O 34a_100000212035_100012276601 [0,2,0,0,0,0|0,0,2]=4 10126 B10R0.4 CCSCCOCCC(C)O 7a_100000212035_100012276601 [0,2,0,0,0,0|0,0,2]=4 10127 B10R0.4 CCSCCOCCN(C)C 7a_100000212035_100000755713 [0,2,0,0,0,0|2,0,0]=4 10128 B10R0.4 CCSCCOCC[C@@H](C)N 34a_100000706166_100000757381 [0,2,0,0,0,0|1,0,1]=4 10129 B10R0.4 CCSCCOCOC(=O)C 34a_100000212035_100009813279 [0,2,0,0,0,0|1,0,0]=3 10130 B10R0.4 CCSCCSCC=C(C)C 62a_100000757381_100000761012 [0,2,0,0,0,0|1,0,1]=4 10131 B10R0.4 CCSCCSCC=C(C)C 62a_100000761012_100000757381 [0,2,0,0,0,0|1,0,1]=4 10132 B10R0.4 CCSCCSCCC(=O)C 62a_100000053229_100000757381 [0,2,0,0,0,0|0,0,0]=2 10133 B10R0.4 CCSCCSCCC(=O)C 62a_100000757381_100000053229 [0,2,0,0,0,0|0,0,0]=2 10134 B10R0.4 CCSCCSCCC(=O)N 62a_100000744528_100000757381 [0,2,0,0,0,0|1,0,0]=3 10135 B10R0.4 CCSCCSCCC(=O)N 62a_100000757381_100000744528 [0,2,0,0,0,0|1,0,0]=3 10136 B10R0.4 CCSCCSCCC(C)C 62a_100000210312_100000757381 [0,2,0,0,0,0|1,0,1]=4 10137 B10R0.4 CCSCCSCCC(C)C 62a_100000757381_100000210312 [0,2,0,0,0,0|1,0,1]=4 10138 B10R0.4 CCSCCSCCC(C)O 62a_100000757381_100012276601 [0,2,0,0,0,0|0,0,2]=4 10139 B10R0.4 CCSCCSCCC(C)O 62a_100012276601_100000757381 [0,2,0,0,0,0|0,0,2]=4 10140 B10R0.4 CCSCCSCCN(C)C 62a_100000757381_100000755713 [0,2,0,0,0,0|2,0,0]=4 10141 B10R0.4 CCSCCSCOC(=O)C 62a_100000076356_100000757381 [0,2,0,0,0,0|1,0,0]=3 10142 B10R0.4 CCSCCSCOC(=O)C 62a_100000757381_100000076356 [0,2,0,0,0,0|1,0,0]=3 10143 B10R0.4 CCSCOCCOC(=O)C 62a_100000076355_100000210202 [0,2,0,0,0,0|1,0,0]=3 10144 B10R0.4 CCSCOCCOC(=O)C 62a_100000210202_100000076355 [0,2,0,0,0,0|1,0,0]=3 10145 B10R0.4 CN(C)CCCCCCC#N 2230a_100102631434_100009813337 [0,2,0,0,0,0|2,0,0]=4 10146 B10R0.4 CN(C)CCCCCCC#N 269982a_100102631434_100009813337 [0,2,0,0,0,0|2,0,0]=4 10147 B10R0.4 CN(C)CCCCCCCO 2230a_100102631434_100000760002 [0,2,0,0,0,0|2,0,0]=4 10148 B10R0.4 CN(C)CCCCCCCO 269982a_100102631434_100000760002 [0,2,0,0,0,0|2,0,0]=4 10149 B10R0.4 CN(C)CCCCSCCF 62a_100011217306_100000690147 [0,2,0,0,0,0|2,0,0]=4 10150 B10R0.4 CN(C)CCCCSCCO 62a_100000211926_100000690147 [0,2,0,0,0,0|2,0,0]=4 10151 B10R0.4 CN(C)CCCSCCCF 62a_100011934791_100000757444 [0,2,0,0,0,0|2,0,0]=4 10152 B10R0.4 CN(C)CCCSCCCO 62a_100011215043_100000757444 [0,2,0,0,0,0|2,0,0]=4 10153 B10R0.4 CN(C)CCOCCCCCl 7a_100000210776_100000755713 [0,2,0,0,0,0|2,0,0]=4 10154 B10R0.4 CN(C)CCOCCCCF 7a_100011995726_100000755713 [0,2,0,0,0,0|2,0,0]=4 10155 B10R0.4 CN(C)CCSCCCCF 62a_100000729493_100000755713 [0,2,0,0,0,0|2,0,0]=4 10156 B10R0.4 CN(C)CCSCCCCO 62a_100000210776_100000755713 [0,2,0,0,0,0|2,0,0]=4 10157 B10R0.4 CNCCCCCCC(C)C 2230a_100000211014_200000210301 [0,2,0,0,0,0|1,0,1]=4 10158 B10R0.4 CNCCCCCCC(C)C 34a_100000211014_200000210301 [0,2,0,0,0,0|1,0,1]=4 10159 B10R0.4 CNCCCCCNC(=O)C 2230a_200012022750_200000210301 [0,2,0,0,0,0|0,0,0]=2 10160 B10R0.4 CNCCCCCNC(=O)C 34a_200012022750_200000210301 [0,2,0,0,0,0|0,0,0]=2 10161 B10R0.4 CNCCCCCOC(=O)C 2230a_106832991635_100009813381 [0,2,0,0,0,0|0,0,0]=2 10162 B10R0.4 CNCCCCCOC(=O)C 34a_100102657272_100000033007 [0,2,0,0,0,0|0,0,0]=2 10163 B10R0.4 CNCCCCCOC(=O)C 7a_106832991635_100000033007 [0,2,0,0,0,0|0,0,0]=2 10164 B10R0.4 CNCCCCCOC(C)C 34a_100000722520_100000210206 [0,2,0,0,0,0|1,0,1]=4 10165 B10R0.4 CNCCCOCC=C(C)C 34a_100000213112_100000761012 [0,2,0,0,0,0|1,0,1]=4 10166 B10R0.4 CNCCCOCCC(=O)N 34a_100000213112_100000731001 [0,2,0,0,0,0|1,0,0]=3 10167 B10R0.4 CNCCCOCCC(C)C 34a_100000213112_100000210312 [0,2,0,0,0,0|1,0,1]=4 10168 B10R0.4 CNCCCOCCC(C)O 34a_100000213112_100012276601 [0,2,0,0,0,0|0,0,2]=4 10169 B10R0.4 CNCCCOCOC(=O)C 34a_100000213112_100009813279 [0,2,0,0,0,0|1,0,0]=3 10170 B10R0.4 CNCCOCCOC(=O)C 2230a_106832991635_200000083610 [0,2,0,0,0,0|1,0,0]=3 10171 B10R0.4 CNCCOCCOC(=O)C 34a_100102657272_200000083610 [0,2,0,0,0,0|1,0,0]=3 10172 B10R0.4 CNCCOCCOC(=O)C 7a_106832991635_200000083610 [0,2,0,0,0,0|1,0,0]=3 10173 B10R0.4 COCCCCCCC(=O)C 1458a_100000070787_100011998445 [0,2,0,0,0,0|0,0,0]=2 10174 B10R0.4 COCCCCCCN(C)C 2230a_100102631434_100011998445 [0,2,0,0,0,0|2,0,0]=4 10175 B10R0.4 COCCCCCCN(C)C 269982a_100102631434_100011998445 [0,2,0,0,0,0|2,0,0]=4 10176 B10R0.4 COCCCCCNC(=O)C 11a_100000747528_100015343762 [0,2,0,0,0,0|0,0,0]=2 10177 B10R0.4 COCCCCCNC(=O)C 1626a_100000747528_100015343762 [0,2,0,0,0,0|0,0,0]=2 10178 B10R0.4 COCCCCCNC(=O)C 240690a_100000747528_100015343762 [0,2,0,0,0,0|0,0,0]=2 10179 B10R0.4 COCCCCCNC(=O)C 527a_100000747528_100103153847 [0,2,0,0,0,0|0,0,0]=2 10180 B10R0.4 COCCCCCNC(C)C 2230a_100000747528_100000210206 [0,2,0,0,0,0|1,0,1]=4 10181 B10R0.4 COCCCCCNC(C)C 34a_100000747528_100000210206 [0,2,0,0,0,0|1,0,1]=4 10182 B10R0.4 COCCCCCNC(C)C 34a_100011629493_200000210301 [0,2,0,0,0,0|1,0,1]=4 10183 B10R0.4 COCCCCCOC(=O)C 34a_100138415774_100000033007 [0,2,0,0,0,0|0,0,0]=2 10184 B10R0.4 COCCCCNCC(=O)N 2230a_100000711301_100000730899 [0,2,0,0,0,0|1,0,0]=3 10185 B10R0.4 COCCCCNCC(=O)O 269956a_100016091260_100000730899 [0,2,0,0,0,0|1,0,0]=3 10186 B10R0.4 COCCCCNCC(C)C 2230a_100000210953_100000730899 [0,2,0,0,0,0|1,0,1]=4 10187 B10R0.4 COCCCCNCC(C)C 34a_100000210953_100000755781 [0,2,0,0,0,0|1,0,1]=4 10188 B10R0.4 COCCCCNCC(C)O 2230a_100000210904_100000730899 [0,2,0,0,0,0|0,0,2]=4 10189 B10R0.4 COCCCCNCC(C)O 34a_100000210904_100000755781 [0,2,0,0,0,0|0,0,2]=4 10190 B10R0.4 COCCCCOCC(=O)C 34a_100000211253_100000755781 [0,2,0,0,0,0|0,0,0]=2 10191 B10R0.4 COCCCCOCC(=O)N 34a_100000740925_100000187820 [0,2,0,0,0,0|1,0,0]=3 10192 B10R0.4 COCCCCOCC(=O)[O-] 34a_100000740925_100020667443 [0,2,0,0,0,0|1,0,0]=3 10193 B10R0.4 COCCCCOCC(C)Br 34a_100012180447_100000755781 [0,2,0,0,0,0|1,0,1]=4 10194 B10R0.4 COCCCCOCC(C)C 34a_100000210257_100000755781 [0,2,0,0,0,0|1,0,1]=4 10195 B10R0.4 COCCCCOCC(C)C 34a_100000740925_100000210624 [0,2,0,0,0,0|1,0,1]=4 10196 B10R0.4 COCCCCOCC(C)F 34a_100015925927_100000755781 [0,2,0,0,0,0|1,0,1]=4 10197 B10R0.4 COCCCCOCC(C)O 34a_100000740925_100011218427 [0,2,0,0,0,0|0,0,2]=4 10198 B10R0.4 COCCCCOC[C@@H](C)Cl 34a_100016084084_100000755781 [0,2,0,0,0,0|1,0,1]=4 10199 B10R0.4 COCCCCOC[C@@H](C)N 34a_100000737577_100000755781 [0,2,0,0,0,0|1,0,1]=4 10200 B10R0.4 COCCCCOC[C@@H](C)O 34a_100000740925_100009817552 [0,2,0,0,0,0|0,0,2]=4 10201 B10R0.4 COCCCCOC[N+](=O)[O-] 34a_100000740925_100000761209 [0,2,0,0,0,0|2,0,0]=4 10202 B10R0.4 COCCCCSCC(=O)N 62a_100000730899_100000747473 [0,2,0,0,0,0|1,0,0]=3 10203 B10R0.4 COCCCCSCC(=O)N 62a_100000747473_100000730899 [0,2,0,0,0,0|1,0,0]=3 10204 B10R0.4 COCCCCSCC(=O)[O-] 62a_100000730899_100020667443 [0,2,0,0,0,0|1,0,0]=3 10205 B10R0.4 COCCCCSCC(=O)[O-] 62a_100020667443_100000730899 [0,2,0,0,0,0|1,0,0]=3 10206 B10R0.4 COCCCCSCC(C)C 62a_100000210624_100000730899 [0,2,0,0,0,0|1,0,1]=4 10207 B10R0.4 COCCCCSCC(C)C 62a_100000730899_100000210760 [0,2,0,0,0,0|1,0,1]=4 10208 B10R0.4 COCCCCSCC(C)O 62a_100000730899_100011218427 [0,2,0,0,0,0|0,0,2]=4 10209 B10R0.4 COCCCCSCC(C)O 62a_100011218427_100000730899 [0,2,0,0,0,0|0,0,2]=4 10210 B10R0.4 COCCCCSC[C@@H](C)O 62a_100000730899_100009817552 [0,2,0,0,0,0|0,0,2]=4 10211 B10R0.4 COCCCCSC[C@@H](C)O 62a_100009817552_100000730899 [0,2,0,0,0,0|0,0,2]=4 10212 B10R0.4 COCCCCSC[N+](=O)[O-] 62a_100000730899_100000761209 [0,2,0,0,0,0|2,0,0]=4 10213 B10R0.4 COCCCNCC=C(C)C 34a_100000718196_100000740836 [0,2,0,0,0,0|1,0,1]=4 10214 B10R0.4 COCCCNCC=C(C)C 34a_100150723488_100000761012 [0,2,0,0,0,0|1,0,1]=4 10215 B10R0.4 COCCCNCCC(=O)N 34a_100150723488_100000731001 [0,2,0,0,0,0|1,0,0]=3 10216 B10R0.4 COCCCNCCC(C)C 269862a_100150723488_100000185833 [0,2,0,0,0,0|1,0,1]=4 10217 B10R0.4 COCCCNCCC(C)C 34a_100150723488_100000210312 [0,2,0,0,0,0|1,0,1]=4 10218 B10R0.4 COCCCNCCC(C)O 2230a_200000755665_100000740836 [0,2,0,0,0,0|0,0,2]=4 10219 B10R0.4 COCCCNCCC(C)O 34a_100150723488_100012276601 [0,2,0,0,0,0|0,0,2]=4 10220 B10R0.4 COCCCNCOC(=O)C 34a_100150723488_100009813279 [0,2,0,0,0,0|1,0,0]=3 10221 B10R0.4 COCCCNOCC(=O)O 269956a_100000106656_100000740836 [0,2,0,0,0,0|2,0,0]=4 10222 B10R0.4 COCCCOCC=C(C)C 34a_100000740835_100000761012 [0,2,0,0,0,0|1,0,1]=4 10223 B10R0.4 COCCCOCC=C(C)C 34a_100000753907_100000740836 [0,2,0,0,0,0|1,0,1]=4 10224 B10R0.4 COCCCOCCC(=O)C 34a_100000759926_100000740836 [0,2,0,0,0,0|0,0,0]=2 10225 B10R0.4 COCCCOCCC(=O)C 7a_100000759926_100000740836 [0,2,0,0,0,0|0,0,0]=2 10226 B10R0.4 COCCCOCCC(=O)N 34a_100000740835_100000731001 [0,2,0,0,0,0|1,0,0]=3 10227 B10R0.4 COCCCOCCC(=O)N 34a_100000757172_100000740836 [0,2,0,0,0,0|1,0,0]=3 10228 B10R0.4 COCCCOCCC(=O)N 7a_100000757172_100000740836 [0,2,0,0,0,0|1,0,0]=3 10229 B10R0.4 COCCCOCCC(C)Br 34a_100009893172_100000740836 [0,2,0,0,0,0|1,0,1]=4 10230 B10R0.4 COCCCOCCC(C)C 34a_100000210254_100000740836 [0,2,0,0,0,0|1,0,1]=4 10231 B10R0.4 COCCCOCCC(C)C 34a_100000740835_100000210312 [0,2,0,0,0,0|1,0,1]=4 10232 B10R0.4 COCCCOCCC(C)C 7a_100000210254_100000740836 [0,2,0,0,0,0|1,0,1]=4 10233 B10R0.4 COCCCOCCC(C)O 34a_100000740835_100012276601 [0,2,0,0,0,0|0,0,2]=4 10234 B10R0.4 COCCCOCC[C@@H](C)N 34a_100000706166_100000740836 [0,2,0,0,0,0|1,0,1]=4 10235 B10R0.4 COCCCOCOC(=O)C 34a_100000740835_100009813279 [0,2,0,0,0,0|1,0,0]=3 10236 B10R0.4 COCCCSCC=C(C)C 62a_100000709357_100000761012 [0,2,0,0,0,0|1,0,1]=4 10237 B10R0.4 COCCCSCC=C(C)C 62a_100000761012_100000709357 [0,2,0,0,0,0|1,0,1]=4 10238 B10R0.4 COCCCSCCC(=O)C 62a_100000053229_100000709357 [0,2,0,0,0,0|0,0,0]=2 10239 B10R0.4 COCCCSCCC(=O)C 62a_100000709357_100000053229 [0,2,0,0,0,0|0,0,0]=2 10240 B10R0.4 COCCCSCCC(=O)N 62a_100000709357_100000744528 [0,2,0,0,0,0|1,0,0]=3 10241 B10R0.4 COCCCSCCC(=O)N 62a_100000744528_100000709357 [0,2,0,0,0,0|1,0,0]=3 10242 B10R0.4 COCCCSCCC(C)C 62a_100000210312_100000709357 [0,2,0,0,0,0|1,0,1]=4 10243 B10R0.4 COCCCSCCC(C)C 62a_100000709357_100000210312 [0,2,0,0,0,0|1,0,1]=4 10244 B10R0.4 COCCCSCCC(C)O 62a_100000709357_100012276601 [0,2,0,0,0,0|0,0,2]=4 10245 B10R0.4 COCCCSCCC(C)O 62a_100012276601_100000709357 [0,2,0,0,0,0|0,0,2]=4 10246 B10R0.4 COCCCSCCN(C)C 62a_100000709357_100000755713 [0,2,0,0,0,0|2,0,0]=4 10247 B10R0.4 COCCCSCOC(=O)C 62a_100000076356_100000709357 [0,2,0,0,0,0|1,0,0]=3 10248 B10R0.4 COCCCSCOC(=O)C 62a_100000709357_100000076356 [0,2,0,0,0,0|1,0,0]=3 10249 B10R0.4 COCCNCCC=C(C)C 2230a_100000209980_100011217483 [0,2,0,0,0,0|1,0,1]=4 10250 B10R0.4 COCCNCCCC(=O)N 34a_100000739312_100011201679 [0,2,0,0,0,0|1,0,0]=3 10251 B10R0.4 COCCNCCCC(C)C 2230a_100000209980_100011214892 [0,2,0,0,0,0|1,0,1]=4 10252 B10R0.4 COCCNCCCC(C)C 2230a_200000737386_100011201679 [0,2,0,0,0,0|1,0,1]=4 10253 B10R0.4 COCCNCCCC(C)C 34a_200000737386_100011201679 [0,2,0,0,0,0|1,0,1]=4 10254 B10R0.4 COCCNCCCC(C)O 2230a_100000209980_200000718107 [0,2,0,0,0,0|0,0,2]=4 10255 B10R0.4 COCCNCCCS(=O)C 2230a_200000753449_100011201679 [0,2,0,0,0,0|1,0,0]=3 10256 B10R0.4 COCCNCCNC(=O)C 2230a_100000209853_100011201679 [0,2,0,0,0,0|1,0,0]=3 10257 B10R0.4 COCCNCCNC(=O)C 2230a_100000209980_100000189650 [0,2,0,0,0,0|1,0,0]=3 10258 B10R0.4 COCCNCCNC(=O)N 2230a_100000209980_200000034859 [0,2,0,0,0,0|2,0,0]=4 10259 B10R0.4 COCCNCCNC(=O)N 34a_100020590234_100011201679 [0,2,0,0,0,0|2,0,0]=4 10260 B10R0.4 COCCOCCC=C(C)C 34a_100000210237_100011217483 [0,2,0,0,0,0|1,0,1]=4 10261 B10R0.4 COCCOCCCC(=O)C 1458a_100000070787_100011216529 [0,2,0,0,0,0|0,0,0]=2 10262 B10R0.4 COCCOCCCC(=O)C 34a_100000210237_100000685027 [0,2,0,0,0,0|0,0,0]=2 10263 B10R0.4 COCCOCCCC(=O)C 34a_100000759063_100011201679 [0,2,0,0,0,0|0,0,0]=2 10264 B10R0.4 COCCOCCCC(=O)C 7a_100000759063_100000233755 [0,2,0,0,0,0|0,0,0]=2 10265 B10R0.4 COCCOCCCC(=O)N 34a_100000210237_100102525003 [0,2,0,0,0,0|1,0,0]=3 10266 B10R0.4 COCCOCCCC(C)C 34a_100000210237_100011214892 [0,2,0,0,0,0|1,0,1]=4 10267 B10R0.4 COCCOCCCC(C)C 34a_100000210774_100011201679 [0,2,0,0,0,0|1,0,1]=4 10268 B10R0.4 COCCOCCCC(C)C 7a_100000210774_100000233755 [0,2,0,0,0,0|1,0,1]=4 10269 B10R0.4 COCCOCCCC(C)O 34a_100000210237_200000718107 [0,2,0,0,0,0|0,0,2]=4 10270 B10R0.4 COCCOCCCN(C)C 2230a_100102631434_100011216529 [0,2,0,0,0,0|2,0,0]=4 10271 B10R0.4 COCCOCCCN(C)C 269982a_100102631434_100011216529 [0,2,0,0,0,0|2,0,0]=4 10272 B10R0.4 COCCOCCC[N+](=O)[O-] 34a_200000037920_100011201679 [0,2,0,0,0,0|2,0,0]=4 10273 B10R0.4 COCCOCCNC(=O)C 11a_100000745349_100015343762 [0,2,0,0,0,0|1,0,0]=3 10274 B10R0.4 COCCOCCNC(=O)C 1626a_100000745349_100015343762 [0,2,0,0,0,0|1,0,0]=3 10275 B10R0.4 COCCOCCNC(=O)C 240690a_100000745349_100015343762 [0,2,0,0,0,0|1,0,0]=3 10276 B10R0.4 COCCOCCNC(=O)C 34a_100000158858_100011201679 [0,2,0,0,0,0|1,0,0]=3 10277 B10R0.4 COCCOCCNC(=O)C 527a_100000745349_100103153847 [0,2,0,0,0,0|1,0,0]=3 10278 B10R0.4 COCCOCCNC(=O)N 34a_100000181757_100011201679 [0,2,0,0,0,0|2,0,0]=4 10279 B10R0.4 COCCOCCOC(=O)C 34a_100000210237_100009814007 [0,2,0,0,0,0|1,0,0]=3 10280 B10R0.4 COCCOCCOC(=O)C 34a_100138415774_200000083610 [0,2,0,0,0,0|1,0,0]=3 10281 B10R0.4 COCCOCCOC(=O)N 34a_100000210237_200011214921 [0,2,0,0,0,0|2,0,0]=4 10282 B10R0.4 COCCOCCOC(=O)N 7a_100000766696_100000233755 [0,2,0,0,0,0|2,0,0]=4 10283 B10R0.4 COCCOCNCC(=O)N 2230a_100000711301_100000231047 [0,2,0,0,0,0|2,0,0]=4 10284 B10R0.4 COCCOCNCC(=O)O 269956a_100016091260_100000231047 [0,2,0,0,0,0|2,0,0]=4 10285 B10R0.4 COCCOCSCC(=O)N 62a_100000231047_100000747473 [0,2,0,0,0,0|2,0,0]=4 10286 B10R0.4 COCCOCSCC(=O)N 62a_100000747473_100000231047 [0,2,0,0,0,0|2,0,0]=4 10287 B10R0.4 COCCOCSCC(=O)[O-] 62a_100000231047_100020667443 [0,2,0,0,0,0|2,0,0]=4 10288 B10R0.4 COCCOCSCC(=O)[O-] 62a_100020667443_100000231047 [0,2,0,0,0,0|2,0,0]=4 10289 B10R0.4 COCCSCCC=C(C)C 62a_100000233755_100011217483 [0,2,0,0,0,0|1,0,1]=4 10290 B10R0.4 COCCSCCC=C(C)C 62a_100011217483_100000233755 [0,2,0,0,0,0|1,0,1]=4 10291 B10R0.4 COCCSCCCC(=O)C 62a_100000233755_100011215641 [0,2,0,0,0,0|0,0,0]=2 10292 B10R0.4 COCCSCCCC(=O)C 62a_100011215641_100000233755 [0,2,0,0,0,0|0,0,0]=2 10293 B10R0.4 COCCSCCCC(=O)N 62a_100000233755_100102525003 [0,2,0,0,0,0|1,0,0]=3 10294 B10R0.4 COCCSCCCC(=O)N 62a_100102525003_100000233755 [0,2,0,0,0,0|1,0,0]=3 10295 B10R0.4 COCCSCCCC(C)C 62a_100000233755_100011214892 [0,2,0,0,0,0|1,0,1]=4 10296 B10R0.4 COCCSCCCC(C)C 62a_100011214892_100000233755 [0,2,0,0,0,0|1,0,1]=4 10297 B10R0.4 COCCSCCCC(C)O 62a_100000233755_200000718107 [0,2,0,0,0,0|0,0,2]=4 10298 B10R0.4 COCCSCCCC(C)O 62a_200000718107_100000233755 [0,2,0,0,0,0|0,0,2]=4 10299 B10R0.4 COCCSCCCN(C)C 62a_100000233755_100000757444 [0,2,0,0,0,0|2,0,0]=4 10300 B10R0.4 COCCSCCNC(=O)C 62a_100000189650_100000233755 [0,2,0,0,0,0|1,0,0]=3 10301 B10R0.4 COCCSCCNC(=O)C 62a_100000233755_100000189650 [0,2,0,0,0,0|1,0,0]=3 10302 B10R0.4 COCCSCCNC(=O)N 62a_100000233755_200000034859 [0,2,0,0,0,0|2,0,0]=4 10303 B10R0.4 COCCSCCNC(=O)N 62a_200000034859_100000233755 [0,2,0,0,0,0|2,0,0]=4 10304 B10R0.4 COCCSCCOC(=O)C 62a_100000233755_100009814007 [0,2,0,0,0,0|1,0,0]=3 10305 B10R0.4 COCCSCCOC(=O)C 62a_100009814007_100000233755 [0,2,0,0,0,0|1,0,0]=3 10306 B10R0.4 COCCSCCOC(=O)N 62a_100000233755_200011214921 [0,2,0,0,0,0|2,0,0]=4 10307 B10R0.4 COCCSCCOC(=O)N 62a_200011214921_100000233755 [0,2,0,0,0,0|2,0,0]=4 10308 B10R0.4 COCNCCOCC(=O)O 269956a_100000700818_100000766300 [0,2,0,0,0,0|2,0,0]=4 10309 B10R0.4 COCSCCCCC(=O)C 62a_100000735457_100000766300 [0,2,0,0,0,0|0,0,0]=2 10310 B10R0.4 COCSCCCCC(=O)C 62a_100000766300_100000735457 [0,2,0,0,0,0|0,0,0]=2 10311 B10R0.4 COCSCCCCC(C)C 62a_100000766300_100011216152 [0,2,0,0,0,0|1,0,1]=4 10312 B10R0.4 COCSCCCCC(C)C 62a_100011216152_100000766300 [0,2,0,0,0,0|1,0,1]=4 10313 B10R0.4 COCSCCCCN(C)C 62a_100000766300_100000690147 [0,2,0,0,0,0|2,0,0]=4 10314 B10R0.4 COCSCCCOC(=O)C 62a_100000042594_100000766300 [0,2,0,0,0,0|1,0,0]=3 10315 B10R0.4 COCSCCCOC(=O)C 62a_100000766300_100000042594 [0,2,0,0,0,0|1,0,0]=3 10316 B10R0.4 COCSCCCOC(=S)C 62a_100000766300_200135323944 [0,2,0,0,0,0|1,1,0]=4 10317 B10R0.4 COCSCCCOC(=S)C 62a_200135323944_100000766300 [0,2,0,0,0,0|1,1,0]=4 10318 B10R0.4 COCSCCCSC(=O)C 62a_100000038929_100000766300 [0,2,0,0,0,0|1,0,0]=3 10319 B10R0.4 COCSCCCSC(=O)C 62a_100000766300_100000038929 [0,2,0,0,0,0|1,0,0]=3 10320 B10R0.4 COCSCCOCC(=O)N 62a_100000076697_100000766300 [0,2,0,0,0,0|2,0,0]=4 10321 B10R0.4 COCSCCOCC(=O)N 62a_100000766300_100000076697 [0,2,0,0,0,0|2,0,0]=4 10322 B10R0.4 CS(=O)CCCNCCC#N 2230a_200000753449_100011215226 [0,2,0,0,0,0|1,0,1]=4 10323 B10R0.4 CS(=O)CCCNCCCF 2230a_200000753449_100011934791 [0,2,0,0,0,0|1,0,0]=3 10324 B10R0.4 CS(=O)CCCNCCCO 2230a_200000753449_100000230001 [0,2,0,0,0,0|1,0,0]=3 10325 B10R0.4 CSCCCCCOC(=O)C 62a_100000033007_200000210301 [0,2,0,0,0,0|0,0,0]=2 10326 B10R0.4 CSCCCCCOC(=O)C 62a_200000210301_100000033007 [0,2,0,0,0,0|0,0,0]=2 10327 B10R0.4 CSCCCCOCC(=O)N 34a_100011217163_100000187820 [0,2,0,0,0,0|1,0,0]=3 10328 B10R0.4 CSCCCCOCC(=O)N 7a_100011217163_100000187820 [0,2,0,0,0,0|1,0,0]=3 10329 B10R0.4 CSCCCCOCC(=O)[O-] 34a_100011217163_100020667443 [0,2,0,0,0,0|1,0,0]=3 10330 B10R0.4 CSCCCCOCC(C)C 34a_100011217163_100000210624 [0,2,0,0,0,0|1,0,1]=4 10331 B10R0.4 CSCCCCOCC(C)C 7a_100011217163_100000210760 [0,2,0,0,0,0|1,0,1]=4 10332 B10R0.4 CSCCCCOCC(C)O 34a_100011217163_100011218427 [0,2,0,0,0,0|0,0,2]=4 10333 B10R0.4 CSCCCCOCC(C)O 7a_100011217163_100011218427 [0,2,0,0,0,0|0,0,2]=4 10334 B10R0.4 CSCCCCOC[C@@H](C)O 34a_100011217163_100009817552 [0,2,0,0,0,0|0,0,2]=4 10335 B10R0.4 CSCCCCOC[C@@H](C)O 7a_100011217163_100009817552 [0,2,0,0,0,0|0,0,2]=4 10336 B10R0.4 CSCCCCOC[N+](=O)[O-] 34a_100011217163_100000761209 [0,2,0,0,0,0|2,0,0]=4 10337 B10R0.4 CSCCCNCC=C(C)C 2230a_100000749238_100000761012 [0,2,0,0,0,0|1,0,1]=4 10338 B10R0.4 CSCCCNCCC(=O)N 2230a_100000749238_100000744528 [0,2,0,0,0,0|1,0,0]=3 10339 B10R0.4 CSCCCNCCC(C)C 2230a_100000749238_100000210312 [0,2,0,0,0,0|1,0,1]=4 10340 B10R0.4 CSCCCNCCC(C)C 269862a_100000749238_100000185833 [0,2,0,0,0,0|1,0,1]=4 10341 B10R0.4 CSCCCNCCC(C)O 2230a_100000749238_100012276601 [0,2,0,0,0,0|0,0,2]=4 10342 B10R0.4 CSCCCOCC=C(C)C 34a_100000690336_100000761012 [0,2,0,0,0,0|1,0,1]=4 10343 B10R0.4 CSCCCOCC=C(C)C 7a_100000690336_100000761012 [0,2,0,0,0,0|1,0,1]=4 10344 B10R0.4 CSCCCOCCC(=O)C 7a_100000690336_100000053229 [0,2,0,0,0,0|0,0,0]=2 10345 B10R0.4 CSCCCOCCC(=O)N 34a_100000690336_100000731001 [0,2,0,0,0,0|1,0,0]=3 10346 B10R0.4 CSCCCOCCC(=O)N 7a_100000690336_100000744528 [0,2,0,0,0,0|1,0,0]=3 10347 B10R0.4 CSCCCOCCC(C)C 34a_100000690336_100000210312 [0,2,0,0,0,0|1,0,1]=4 10348 B10R0.4 CSCCCOCCC(C)C 7a_100000690336_100000210626 [0,2,0,0,0,0|1,0,1]=4 10349 B10R0.4 CSCCCOCCC(C)O 34a_100000690336_100012276601 [0,2,0,0,0,0|0,0,2]=4 10350 B10R0.4 CSCCCOCCC(C)O 7a_100000690336_100012276601 [0,2,0,0,0,0|0,0,2]=4 10351 B10R0.4 CSCCCOCCN(C)C 7a_100000690336_100000755713 [0,2,0,0,0,0|2,0,0]=4 10352 B10R0.4 CSCCCOCOC(=O)C 34a_100000690336_100009813279 [0,2,0,0,0,0|1,0,0]=3 10353 B10R0.4 CSCCNCCC=C(C)C 2230a_100020590264_100011217483 [0,2,0,0,0,0|1,0,1]=4 10354 B10R0.4 CSCCNCCCC(=O)N 34a_100000739312_100000212216 [0,2,0,0,0,0|1,0,0]=3 10355 B10R0.4 CSCCNCCCC(C)C 2230a_100020590264_100011214892 [0,2,0,0,0,0|1,0,1]=4 10356 B10R0.4 CSCCNCCCC(C)C 2230a_200000737386_100000751147 [0,2,0,0,0,0|1,0,1]=4 10357 B10R0.4 CSCCNCCCC(C)C 34a_200000737386_100000212216 [0,2,0,0,0,0|1,0,1]=4 10358 B10R0.4 CSCCNCCCC(C)O 2230a_100020590264_200000718107 [0,2,0,0,0,0|0,0,2]=4 10359 B10R0.4 CSCCNCCCS(=O)C 2230a_200000753449_100000751147 [0,2,0,0,0,0|1,0,0]=3 10360 B10R0.4 CSCCNCCNC(=O)C 2230a_100000209853_100000751147 [0,2,0,0,0,0|1,0,0]=3 10361 B10R0.4 CSCCNCCNC(=O)C 2230a_100020590264_100000189650 [0,2,0,0,0,0|1,0,0]=3 10362 B10R0.4 CSCCNCCNC(=O)N 2230a_100020590264_200000034859 [0,2,0,0,0,0|2,0,0]=4 10363 B10R0.4 CSCCNCCNC(=O)N 34a_100020590234_100000212216 [0,2,0,0,0,0|2,0,0]=4 10364 B10R0.4 CSCCOCCC=C(C)C 34a_100000230434_100011217483 [0,2,0,0,0,0|1,0,1]=4 10365 B10R0.4 CSCCOCCC=C(C)C 7a_100000230434_100011217483 [0,2,0,0,0,0|1,0,1]=4 10366 B10R0.4 CSCCOCCCC(=O)C 34a_100000230434_100000685027 [0,2,0,0,0,0|0,0,0]=2 10367 B10R0.4 CSCCOCCCC(=O)C 34a_100000759063_100000212216 [0,2,0,0,0,0|0,0,0]=2 10368 B10R0.4 CSCCOCCCC(=O)C 7a_100000230434_100011215641 [0,2,0,0,0,0|0,0,0]=2 10369 B10R0.4 CSCCOCCCC(=O)C 7a_100000759063_100000212216 [0,2,0,0,0,0|0,0,0]=2 10370 B10R0.4 CSCCOCCCC(=O)N 34a_100000230434_100102525003 [0,2,0,0,0,0|1,0,0]=3 10371 B10R0.4 CSCCOCCCC(=O)N 7a_100000230434_100102525003 [0,2,0,0,0,0|1,0,0]=3 10372 B10R0.4 CSCCOCCCC(C)C 34a_100000210774_100000212216 [0,2,0,0,0,0|1,0,1]=4 10373 B10R0.4 CSCCOCCCC(C)C 34a_100000230434_100011214892 [0,2,0,0,0,0|1,0,1]=4 10374 B10R0.4 CSCCOCCCC(C)C 7a_100000210774_100000212216 [0,2,0,0,0,0|1,0,1]=4 10375 B10R0.4 CSCCOCCCC(C)C 7a_100000230434_100011214892 [0,2,0,0,0,0|1,0,1]=4 10376 B10R0.4 CSCCOCCCC(C)O 34a_100000230434_200000718107 [0,2,0,0,0,0|0,0,2]=4 10377 B10R0.4 CSCCOCCCC(C)O 7a_100000230434_200000718107 [0,2,0,0,0,0|0,0,2]=4 10378 B10R0.4 CSCCOCCCN(C)C 7a_100000230434_100000757444 [0,2,0,0,0,0|2,0,0]=4 10379 B10R0.4 CSCCOCCC[N+](=O)[O-] 34a_200000037920_100000212216 [0,2,0,0,0,0|2,0,0]=4 10380 B10R0.4 CSCCOCCNC(=O)C 34a_100000158858_100000212216 [0,2,0,0,0,0|1,0,0]=3 10381 B10R0.4 CSCCOCCNC(=O)C 7a_100000230434_100000189650 [0,2,0,0,0,0|1,0,0]=3 10382 B10R0.4 CSCCOCCNC(=O)N 34a_100000181757_100000212216 [0,2,0,0,0,0|2,0,0]=4 10383 B10R0.4 CSCCOCCNC(=O)N 7a_100000230434_200000034859 [0,2,0,0,0,0|2,0,0]=4 10384 B10R0.4 CSCCOCCOC(=O)C 34a_100000230434_100009814007 [0,2,0,0,0,0|1,0,0]=3 10385 B10R0.4 CSCCOCCOC(=O)C 62a_200000083610_200000210301 [0,2,0,0,0,0|1,0,0]=3 10386 B10R0.4 CSCCOCCOC(=O)C 62a_200000210301_200000083610 [0,2,0,0,0,0|1,0,0]=3 10387 B10R0.4 CSCCOCCOC(=O)C 7a_100000230434_100009814007 [0,2,0,0,0,0|1,0,0]=3 10388 B10R0.4 CSCCOCCOC(=O)N 34a_100000230434_200011214921 [0,2,0,0,0,0|2,0,0]=4 10389 B10R0.4 CSCCOCCOC(=O)N 7a_100000230434_200011214921 [0,2,0,0,0,0|2,0,0]=4 10390 B10R0.4 CSCCOCCOC(=O)N 7a_100000766696_100000212216 [0,2,0,0,0,0|2,0,0]=4 10391 B10R0.4 CSCCSCCC=C(C)C 62a_100000212216_100011217483 [0,2,0,0,0,0|1,0,1]=4 10392 B10R0.4 CSCCSCCC=C(C)C 62a_100011217483_100000751147 [0,2,0,0,0,0|1,0,1]=4 10393 B10R0.4 CSCCSCCCC(=O)C 62a_100000212216_100011215641 [0,2,0,0,0,0|0,0,0]=2 10394 B10R0.4 CSCCSCCCC(=O)C 62a_100011215641_100000751147 [0,2,0,0,0,0|0,0,0]=2 10395 B10R0.4 CSCCSCCCC(=O)N 62a_100000212216_100102525003 [0,2,0,0,0,0|1,0,0]=3 10396 B10R0.4 CSCCSCCCC(=O)N 62a_100102525003_100000751147 [0,2,0,0,0,0|1,0,0]=3 10397 B10R0.4 CSCCSCCCC(C)C 62a_100000212216_100011214892 [0,2,0,0,0,0|1,0,1]=4 10398 B10R0.4 CSCCSCCCC(C)C 62a_100011214892_100000751147 [0,2,0,0,0,0|1,0,1]=4 10399 B10R0.4 CSCCSCCCC(C)O 62a_100000212216_200000718107 [0,2,0,0,0,0|0,0,2]=4 10400 B10R0.4 CSCCSCCCC(C)O 62a_200000718107_100000751147 [0,2,0,0,0,0|0,0,2]=4 10401 B10R0.4 CSCCSCCCN(C)C 62a_100000212216_100000757444 [0,2,0,0,0,0|2,0,0]=4 10402 B10R0.4 CSCCSCCNC(=O)C 62a_100000189650_100000751147 [0,2,0,0,0,0|1,0,0]=3 10403 B10R0.4 CSCCSCCNC(=O)C 62a_100000212216_100000189650 [0,2,0,0,0,0|1,0,0]=3 10404 B10R0.4 CSCCSCCNC(=O)N 62a_100000212216_200000034859 [0,2,0,0,0,0|2,0,0]=4 10405 B10R0.4 CSCCSCCNC(=O)N 62a_200000034859_100000751147 [0,2,0,0,0,0|2,0,0]=4 10406 B10R0.4 CSCCSCCOC(=O)C 62a_100000212216_100009814007 [0,2,0,0,0,0|1,0,0]=3 10407 B10R0.4 CSCCSCCOC(=O)C 62a_100009814007_100000751147 [0,2,0,0,0,0|1,0,0]=3 10408 B10R0.4 CSCCSCCOC(=O)N 62a_100000212216_200011214921 [0,2,0,0,0,0|2,0,0]=4 10409 B10R0.4 CSCCSCCOC(=O)N 62a_200011214921_100000751147 [0,2,0,0,0,0|2,0,0]=4 10410 B10R0.4 CSCNCCCCC(=O)N 34a_100000696515_100011218213 [0,2,0,0,0,0|1,0,0]=3 10411 B10R0.4 CSCNCCCNC(=O)C 34a_100000736810_100011218213 [0,2,0,0,0,0|1,0,0]=3 10412 B10R0.4 CSCNCCOCC(=O)O 269956a_100000700818_100011218213 [0,2,0,0,0,0|2,0,0]=4 10413 B10R0.4 CSCOCCCCC(=O)N 34a_100012022536_100011218213 [0,2,0,0,0,0|1,0,0]=3 10414 B10R0.4 CSCOCCCCC(C)C 34a_100011214890_100011218213 [0,2,0,0,0,0|1,0,1]=4 10415 B10R0.4 CSCOCCCC[N+](=O)[O-] 34a_200015379883_100011218213 [0,2,0,0,0,0|2,0,0]=4 10416 B10R0.4 CSCOCCCNC(=O)C 34a_100000752032_100011218213 [0,2,0,0,0,0|1,0,0]=3 10417 B10R0.4 CSCSCCCCC(=O)C 62a_100000735457_100011218213 [0,2,0,0,0,0|0,0,0]=2 10418 B10R0.4 CSCSCCCCC(=O)C 62a_100011218213_100000735457 [0,2,0,0,0,0|0,0,0]=2 10419 B10R0.4 CSCSCCCCC(C)C 62a_100011216152_100011218213 [0,2,0,0,0,0|1,0,1]=4 10420 B10R0.4 CSCSCCCCC(C)C 62a_100011218213_100011216152 [0,2,0,0,0,0|1,0,1]=4 10421 B10R0.4 CSCSCCCCN(C)C 62a_100011218213_100000690147 [0,2,0,0,0,0|2,0,0]=4 10422 B10R0.4 CSCSCCCOC(=O)C 62a_100000042594_100011218213 [0,2,0,0,0,0|1,0,0]=3 10423 B10R0.4 CSCSCCCOC(=O)C 62a_100011218213_100000042594 [0,2,0,0,0,0|1,0,0]=3 10424 B10R0.4 CSCSCCCOC(=S)C 62a_100011218213_200135323944 [0,2,0,0,0,0|1,1,0]=4 10425 B10R0.4 CSCSCCCOC(=S)C 62a_200135323944_100011218213 [0,2,0,0,0,0|1,1,0]=4 10426 B10R0.4 CSCSCCCSC(=O)C 62a_100000038929_100011218213 [0,2,0,0,0,0|1,0,0]=3 10427 B10R0.4 CSCSCCCSC(=O)C 62a_100011218213_100000038929 [0,2,0,0,0,0|1,0,0]=3 10428 B10R0.4 CSCSCCOCC(=O)N 62a_100000076697_100011218213 [0,2,0,0,0,0|2,0,0]=4 10429 B10R0.4 CSCSCCOCC(=O)N 62a_100011218213_100000076697 [0,2,0,0,0,0|2,0,0]=4 10430 B10R0.4 C[C@@H](Cl)COCCCCCF 34a_100016084084_100000729378 [0,2,0,0,0,0|1,0,1]=4 10431 B10R0.4 C[C@@H](Cl)COCCCCCO 34a_100016084084_100000746330 [0,2,0,0,0,0|1,0,1]=4 10432 B10R0.4 C[C@@H](N)CCOCCCCF 34a_100000706166_100000729493 [0,2,0,0,0,0|1,0,1]=4 10433 B10R0.4 C[C@@H](N)CCOCCCCO 34a_100000706166_100011216708 [0,2,0,0,0,0|1,0,1]=4 10434 B10R0.4 C[C@@H](N)COCCCCCF 34a_100000737577_100000729378 [0,2,0,0,0,0|1,0,1]=4 10435 B10R0.4 C[C@@H](N)COCCCCCO 34a_100000737577_100000746330 [0,2,0,0,0,0|1,0,1]=4 10436 B10R0.4 C[C@@H](O)CNCCCCCO 2230a_100000762737_100009817552 [0,2,0,0,0,0|0,0,2]=4 10437 B10R0.4 C[C@@H](O)CNCCCCCO 34a_100000762737_100009817552 [0,2,0,0,0,0|0,0,2]=4 10438 B10R0.4 C[C@@H](O)COCCCCCBr 34a_100000746331_100009817552 [0,2,0,0,0,0|0,0,2]=4 10439 B10R0.4 C[C@@H](O)COCCCCCBr 7a_100000746331_100009817552 [0,2,0,0,0,0|0,0,2]=4 10440 B10R0.4 C[C@@H](O)COCCCCCCl 34a_100000746330_100009817552 [0,2,0,0,0,0|0,0,2]=4 10441 B10R0.4 C[C@@H](O)COCCCCCCl 7a_100000746330_100009817552 [0,2,0,0,0,0|0,0,2]=4 10442 B10R0.4 C[C@@H](O)COCCCCCI 34a_200012148887_100009817552 [0,2,0,0,0,0|0,0,2]=4 10443 B10R0.4 C[C@@H](O)COCCCCCI 7a_200012148887_100009817552 [0,2,0,0,0,0|0,0,2]=4 10444 B10R0.4 C[C@@H](O)COCCCCCN 34a_100000762737_100009817552 [0,2,0,0,0,0|0,0,2]=4 10445 B10R0.4 C[C@@H](O)CSCCCCCF 62a_100000729378_100009817552 [0,2,0,0,0,0|0,0,2]=4 10446 B10R0.4 C[C@@H](O)CSCCCCCF 62a_100009817552_100000729378 [0,2,0,0,0,0|0,0,2]=4 10447 B10R0.4 C[C@@H](O)CSCCCCCO 62a_100000746330_100009817552 [0,2,0,0,0,0|0,0,2]=4 10448 B10R0.4 C[C@@H](O)CSCCCCCO 62a_100009817552_100000746330 [0,2,0,0,0,0|0,0,2]=4 10449 B10R0.4 N#CCCCCNCC(=O)N 2230a_100000711301_100000211819 [0,2,0,0,0,0|1,0,1]=4 10450 B10R0.4 N#CCCCCNCC(=O)O 269956a_100016091260_100011219923 [0,2,0,0,0,0|1,0,1]=4 10451 B10R0.4 N#CCCCCSCC(=O)N 62a_100000747473_100000211819 [0,2,0,0,0,0|1,0,1]=4 10452 B10R0.4 N#CCCCCSCC(=O)N 62a_100011219923_100000747473 [0,2,0,0,0,0|1,0,1]=4 10453 B10R0.4 N#CCCCCSCC(=O)[O-] 62a_100011219923_100020667443 [0,2,0,0,0,0|1,0,1]=4 10454 B10R0.4 N#CCCCCSCC(=O)[O-] 62a_100020667443_100000211819 [0,2,0,0,0,0|1,0,1]=4 10455 B10R0.4 N#CCCCOCCC(=O)N 7a_100000757172_100000687738 [0,2,0,0,0,0|1,0,1]=4 10456 B10R0.4 N#CCCCSCCC(=O)N 62a_100000687738_100000744528 [0,2,0,0,0,0|1,0,1]=4 10457 B10R0.4 N#CCCCSCCC(=O)N 62a_100000744528_100000687738 [0,2,0,0,0,0|1,0,1]=4 10458 B10R0.4 N#CCCSCCCC(=O)N 62a_100011215226_100102525003 [0,2,0,0,0,0|1,0,1]=4 10459 B10R0.4 N#CCCSCCCC(=O)N 62a_100102525003_100011215226 [0,2,0,0,0,0|1,0,1]=4 10460 B10R0.4 N#CCOCCCCC(=O)N 7a_100012022536_100011215382 [0,2,0,0,0,0|1,0,1]=4 10461 B10R0.4 NC(=O)CCCCCOCF 34a_100000123541_100015361967 [0,2,0,0,0,0|1,0,0]=3 10462 B10R0.4 NC(=O)CCCCCOCF 7a_100000123541_100015361967 [0,2,0,0,0,0|1,0,0]=3 10463 B10R0.4 NC(=O)CCCCCSCF 62a_100009817443_100015361967 [0,2,0,0,0,0|1,0,0]=3 10464 B10R0.4 NC(=O)CCCCCSCF 62a_100015361967_100009817443 [0,2,0,0,0,0|1,0,0]=3 10465 B10R0.4 NC(=O)CCCCNCC=O 34a_100000696515_200009817547 [0,2,0,0,0,0|1,0,1]=4 10466 B10R0.4 NC(=O)CCCCNCCF 34a_100000696515_100011217306 [0,2,0,0,0,0|1,0,0]=3 10467 B10R0.4 NC(=O)CCCCNCCO 34a_100000696515_100000211926 [0,2,0,0,0,0|1,0,0]=3 10468 B10R0.4 NC(=O)CCCCOCC=O 34a_100012022536_200009817547 [0,2,0,0,0,0|1,0,1]=4 10469 B10R0.4 NC(=O)CCCCOCC=O 7a_100012022536_200015260668 [0,2,0,0,0,0|1,0,1]=4 10470 B10R0.4 NC(=O)CCCCOCCF 34a_100012022536_100011217306 [0,2,0,0,0,0|1,0,0]=3 10471 B10R0.4 NC(=O)CCCCOCCF 7a_100012022536_100011217306 [0,2,0,0,0,0|1,0,0]=3 10472 B10R0.4 NC(=O)CCCCOCCO 34a_100012022536_100000211926 [0,2,0,0,0,0|1,0,0]=3 10473 B10R0.4 NC(=O)CCCCOCCO 7a_100012022536_100000211926 [0,2,0,0,0,0|1,0,0]=3 10474 B10R0.4 NC(=O)CCCNCCCF 34a_100000739312_100011934791 [0,2,0,0,0,0|1,0,0]=3 10475 B10R0.4 NC(=O)CCCNCCCF 34a_100015189416_100102525003 [0,2,0,0,0,0|1,0,0]=3 10476 B10R0.4 NC(=O)CCCNCCCO 34a_100000739312_100000230001 [0,2,0,0,0,0|1,0,0]=3 10477 B10R0.4 NC(=O)CCCOCCCBr 34a_100011217188_100102525003 [0,2,0,0,0,0|1,0,0]=3 10478 B10R0.4 NC(=O)CCCOCCCCl 34a_100000230001_100102525003 [0,2,0,0,0,0|1,0,0]=3 10479 B10R0.4 NC(=O)CCCOCCCF 34a_100000759539_100102525003 [0,2,0,0,0,0|1,0,0]=3 10480 B10R0.4 NC(=O)CCCSCCCF 62a_100011934791_100102525003 [0,2,0,0,0,0|1,0,0]=3 10481 B10R0.4 NC(=O)CCCSCCCF 62a_100102525003_100011934791 [0,2,0,0,0,0|1,0,0]=3 10482 B10R0.4 NC(=O)CCCSCCCO 62a_100011215043_100102525003 [0,2,0,0,0,0|1,0,0]=3 10483 B10R0.4 NC(=O)CCCSCCCO 62a_100102525003_100011215043 [0,2,0,0,0,0|1,0,0]=3 10484 B10R0.4 NC(=O)CCNCCCCO 2230a_100000750430_100000744528 [0,2,0,0,0,0|1,0,0]=3 10485 B10R0.4 NC(=O)CCNCCCCO 34a_100000750430_100000731001 [0,2,0,0,0,0|1,0,0]=3 10486 B10R0.4 NC(=O)CCOCCCC=O 7a_100000757172_200011292268 [0,2,0,0,0,0|1,0,1]=4 10487 B10R0.4 NC(=O)CCOCCCCBr 34a_100011216708_100000731001 [0,2,0,0,0,0|1,0,0]=3 10488 B10R0.4 NC(=O)CCOCCCCCl 34a_100000210776_100000731001 [0,2,0,0,0,0|1,0,0]=3 10489 B10R0.4 NC(=O)CCOCCCCCl 7a_100000210776_100000744528 [0,2,0,0,0,0|1,0,0]=3 10490 B10R0.4 NC(=O)CCOCCCCF 34a_100000757172_100000729493 [0,2,0,0,0,0|1,0,0]=3 10491 B10R0.4 NC(=O)CCOCCCCF 34a_100011995726_100000731001 [0,2,0,0,0,0|1,0,0]=3 10492 B10R0.4 NC(=O)CCOCCCCF 7a_100000757172_100000729493 [0,2,0,0,0,0|1,0,0]=3 10493 B10R0.4 NC(=O)CCOCCCCF 7a_100011995726_100000744528 [0,2,0,0,0,0|1,0,0]=3 10494 B10R0.4 NC(=O)CCOCCCCI 34a_200012148704_100000731001 [0,2,0,0,0,0|1,0,0]=3 10495 B10R0.4 NC(=O)CCOCCCCO 34a_100000757172_100011216708 [0,2,0,0,0,0|1,0,0]=3 10496 B10R0.4 NC(=O)CCOCCCCO 7a_100000757172_100000210776 [0,2,0,0,0,0|1,0,0]=3 10497 B10R0.4 NC(=O)CCSCCCC=O 62a_100000744528_200011292268 [0,2,0,0,0,0|1,0,1]=4 10498 B10R0.4 NC(=O)CCSCCCC=O 62a_200011292268_100000744528 [0,2,0,0,0,0|1,0,1]=4 10499 B10R0.4 NC(=O)CCSCCCCF 62a_100000729493_100000744528 [0,2,0,0,0,0|1,0,0]=3 10500 B10R0.4 NC(=O)CCSCCCCF 62a_100000744528_100000729493 [0,2,0,0,0,0|1,0,0]=3 10501 B10R0.4 NC(=O)CCSCCCCO 62a_100000210776_100000744528 [0,2,0,0,0,0|1,0,0]=3 10502 B10R0.4 NC(=O)CCSCCCCO 62a_100000744528_100000210776 [0,2,0,0,0,0|1,0,0]=3 10503 B10R0.4 NC(=O)CNCCCCC=O 2230a_100000711301_100000139335 [0,2,0,0,0,0|1,0,1]=4 10504 B10R0.4 NC(=O)CNCCCCCF 2230a_100000711301_100000729378 [0,2,0,0,0,0|1,0,0]=3 10505 B10R0.4 NC(=O)CNCCCCCO 2230a_100000711301_100000746330 [0,2,0,0,0,0|1,0,0]=3 10506 B10R0.4 NC(=O)CNCCCCCO 2230a_100000762737_100000747473 [0,2,0,0,0,0|1,0,0]=3 10507 B10R0.4 NC(=O)CNCCCCCO 34a_100000762737_100000187820 [0,2,0,0,0,0|1,0,0]=3 10508 B10R0.4 NC(=O)CNCCOCCO 2230a_100000211614_100000747473 [0,2,0,0,0,0|2,0,0]=4 10509 B10R0.4 NC(=O)CNCCOCCO 2230a_100000711301_100011215305 [0,2,0,0,0,0|2,0,0]=4 10510 B10R0.4 NC(=O)CNCCOCCO 34a_100000211614_100000187820 [0,2,0,0,0,0|2,0,0]=4 10511 B10R0.4 NC(=O)CNCCSCCO 2230a_100011219999_100000747473 [0,2,0,0,0,0|2,0,0]=4 10512 B10R0.4 NC(=O)COCCCCCBr 34a_100000746331_100000187820 [0,2,0,0,0,0|1,0,0]=3 10513 B10R0.4 NC(=O)COCCCCCBr 7a_100000746331_100000187820 [0,2,0,0,0,0|1,0,0]=3 10514 B10R0.4 NC(=O)COCCCCCCl 34a_100000746330_100000187820 [0,2,0,0,0,0|1,0,0]=3 10515 B10R0.4 NC(=O)COCCCCCCl 7a_100000746330_100000187820 [0,2,0,0,0,0|1,0,0]=3 10516 B10R0.4 NC(=O)COCCCCCI 34a_200012148887_100000187820 [0,2,0,0,0,0|1,0,0]=3 10517 B10R0.4 NC(=O)COCCCCCI 7a_200012148887_100000187820 [0,2,0,0,0,0|1,0,0]=3 10518 B10R0.4 NC(=O)COCCNCCF 34a_100000724931_100000076697 [0,2,0,0,0,0|2,0,0]=4 10519 B10R0.4 NC(=O)COCCNCCO 2230a_100016997473_100000076697 [0,2,0,0,0,0|2,0,0]=4 10520 B10R0.4 NC(=O)COCCNCCO 34a_100016990907_100000076697 [0,2,0,0,0,0|2,0,0]=4 10521 B10R0.4 NC(=O)COCCOCCBr 34a_100000211926_100000076697 [0,2,0,0,0,0|2,0,0]=4 10522 B10R0.4 NC(=O)COCCOCCBr 34a_100000692535_100000187820 [0,2,0,0,0,0|2,0,0]=4 10523 B10R0.4 NC(=O)COCCOCCBr 7a_100000692535_100000187820 [0,2,0,0,0,0|2,0,0]=4 10524 B10R0.4 NC(=O)COCCOCCCl 34a_100011215305_100000187820 [0,2,0,0,0,0|2,0,0]=4 10525 B10R0.4 NC(=O)COCCOCCCl 7a_100011215305_100000187820 [0,2,0,0,0,0|2,0,0]=4 10526 B10R0.4 NC(=O)COCCOCCF 34a_200015357709_100000187820 [0,2,0,0,0,0|2,0,0]=4 10527 B10R0.4 NC(=O)COCCOCCF 7a_200015357709_100000187820 [0,2,0,0,0,0|2,0,0]=4 10528 B10R0.4 NC(=O)COCCOCCI 34a_100012149058_100000187820 [0,2,0,0,0,0|2,0,0]=4 10529 B10R0.4 NC(=O)COCCOCCI 7a_100012149058_100000187820 [0,2,0,0,0,0|2,0,0]=4 10530 B10R0.4 NC(=O)COCCSCCF 62a_100000076697_100011217306 [0,2,0,0,0,0|2,0,0]=4 10531 B10R0.4 NC(=O)COCCSCCF 62a_100011217306_100000076697 [0,2,0,0,0,0|2,0,0]=4 10532 B10R0.4 NC(=O)COCCSCCO 62a_100000076697_100000211926 [0,2,0,0,0,0|2,0,0]=4 10533 B10R0.4 NC(=O)COCCSCCO 62a_100000211926_100000076697 [0,2,0,0,0,0|2,0,0]=4 10534 B10R0.4 NC(=O)CSCCCCC=O 62a_100000139335_100000747473 [0,2,0,0,0,0|1,0,1]=4 10535 B10R0.4 NC(=O)CSCCCCC=O 62a_100000747473_100000139335 [0,2,0,0,0,0|1,0,1]=4 10536 B10R0.4 NC(=O)CSCCCCCF 62a_100000729378_100000747473 [0,2,0,0,0,0|1,0,0]=3 10537 B10R0.4 NC(=O)CSCCCCCF 62a_100000747473_100000729378 [0,2,0,0,0,0|1,0,0]=3 10538 B10R0.4 NC(=O)CSCCCCCO 62a_100000746330_100000747473 [0,2,0,0,0,0|1,0,0]=3 10539 B10R0.4 NC(=O)CSCCCCCO 62a_100000747473_100000746330 [0,2,0,0,0,0|1,0,0]=3 10540 B10R0.4 NC(=O)CSCCOCCO 62a_100000747473_100011215305 [0,2,0,0,0,0|2,0,0]=4 10541 B10R0.4 NC(=O)CSCCOCCO 62a_100011215305_100000747473 [0,2,0,0,0,0|2,0,0]=4 10542 B10R0.4 NC(=O)NCCNCCCF 2230a_100015189416_200000034859 [0,2,0,0,0,0|2,0,0]=4 10543 B10R0.4 NC(=O)NCCNCCCF 34a_100020590234_100011934791 [0,2,0,0,0,0|2,0,0]=4 10544 B10R0.4 NC(=O)NCCNCCCO 34a_100020590234_100000230001 [0,2,0,0,0,0|2,0,0]=4 10545 B10R0.4 NC(=O)NCCOCCCF 34a_100000181757_100011934791 [0,2,0,0,0,0|2,0,0]=4 10546 B10R0.4 NC(=O)NCCOCCCO 34a_100000181757_100000230001 [0,2,0,0,0,0|2,0,0]=4 10547 B10R0.4 NC(=O)NCCSCCCF 62a_100011934791_200000034859 [0,2,0,0,0,0|2,0,0]=4 10548 B10R0.4 NC(=O)NCCSCCCF 62a_200000034859_100011934791 [0,2,0,0,0,0|2,0,0]=4 10549 B10R0.4 NC(=O)NCCSCCCO 62a_100011215043_200000034859 [0,2,0,0,0,0|2,0,0]=4 10550 B10R0.4 NC(=O)NCCSCCCO 62a_200000034859_100011215043 [0,2,0,0,0,0|2,0,0]=4 10551 B10R0.4 NC(=O)OCCNCCCF 34a_100015189416_200011214921 [0,2,0,0,0,0|2,0,0]=4 10552 B10R0.4 NC(=O)OCCOCCCBr 34a_100011217188_200011214921 [0,2,0,0,0,0|2,0,0]=4 10553 B10R0.4 NC(=O)OCCOCCCCl 34a_100000230001_200011214921 [0,2,0,0,0,0|2,0,0]=4 10554 B10R0.4 NC(=O)OCCOCCCF 34a_100000759539_200011214921 [0,2,0,0,0,0|2,0,0]=4 10555 B10R0.4 NC(=O)OCCOCCCF 7a_100000766696_100011934791 [0,2,0,0,0,0|2,0,0]=4 10556 B10R0.4 NC(=O)OCCOCCCO 7a_100000766696_100011215043 [0,2,0,0,0,0|2,0,0]=4 10557 B10R0.4 NC(=O)OCCSCCCF 62a_100011934791_200011214921 [0,2,0,0,0,0|2,0,0]=4 10558 B10R0.4 NC(=O)OCCSCCCF 62a_200011214921_100011934791 [0,2,0,0,0,0|2,0,0]=4 10559 B10R0.4 NC(=O)OCCSCCCO 62a_100011215043_200011214921 [0,2,0,0,0,0|2,0,0]=4 10560 B10R0.4 NC(=O)OCCSCCCO 62a_200011214921_100011215043 [0,2,0,0,0,0|2,0,0]=4 10561 B10R0.4 NCCCCCOCC(=O)N 34a_100000762737_100000187820 [0,2,0,0,0,0|1,0,0]=3 10562 B10R0.4 NCCCCCOCC(=O)[O-] 34a_100000762737_100020667443 [0,2,0,0,0,0|1,0,0]=3 10563 B10R0.4 NCCCCCOC[N+](=O)[O-] 34a_100000762737_100000761209 [0,2,0,0,0,0|2,0,0]=4 10564 B10R0.4 NCCCCOCCC(=O)N 34a_100000750430_100000731001 [0,2,0,0,0,0|1,0,0]=3 10565 B10R0.4 NCCCOCCCC(=O)N 34a_100000182051_100102525003 [0,2,0,0,0,0|1,0,0]=3 10566 B10R0.4 NCCCOCCOC(=O)N 34a_100000182051_200011214921 [0,2,0,0,0,0|2,0,0]=4 10567 B10R0.4 NCCOCCOCC(=O)N 34a_100000210304_100000076697 [0,2,0,0,0,0|2,0,0]=4 10568 B10R0.4 NCCOCCOCC(=O)N 34a_100000211614_100000187820 [0,2,0,0,0,0|2,0,0]=4 10569 B10R0.4 NCCOCCOCC(=O)[O-] 34a_100000211614_100020667443 [0,2,0,0,0,0|2,0,0]=4 10570 B10R0.4 NOCCOCCCC(=O)N 34a_100000700252_100102525003 [0,2,0,0,0,0|2,0,0]=4 10571 B10R0.4 O=C(O)CNCCCCCF 269956a_100016091260_100000729378 [0,2,0,0,0,0|1,0,0]=3 10572 B10R0.4 O=C(O)CNCCCCCO 269956a_100016091260_100000746330 [0,2,0,0,0,0|1,0,0]=3 10573 B10R0.4 O=C(O)CNCCOCCO 269956a_100016091260_100011215305 [0,2,0,0,0,0|2,0,0]=4 10574 B10R0.4 O=C(O)COCCNCCF 269956a_100000700818_100011217306 [0,2,0,0,0,0|2,0,0]=4 10575 B10R0.4 O=C(O)COCCNCCO 269956a_100000700818_100000211926 [0,2,0,0,0,0|2,0,0]=4 10576 B10R0.4 O=C(O)CONCCCCF 269956a_100000106656_100000729493 [0,2,0,0,0,0|2,0,0]=4 10577 B10R0.4 O=C(O)CONCCCCO 269956a_100000106656_100000210776 [0,2,0,0,0,0|2,0,0]=4 10578 B10R0.4 O=C([O-])CCCCCOCF 7a_100102619762_100015361967 [0,2,0,0,0,0|1,0,0]=3 10579 B10R0.4 O=C([O-])CNCCCCCO 34a_100000762737_100020667443 [0,2,0,0,0,0|1,0,0]=3 10580 B10R0.4 O=C([O-])CNCCOCCO 34a_100000211614_100020667443 [0,2,0,0,0,0|2,0,0]=4 10581 B10R0.4 O=C([O-])COCCCCCBr 34a_100000746331_100020667443 [0,2,0,0,0,0|1,0,0]=3 10582 B10R0.4 O=C([O-])COCCCCCCl 34a_100000746330_100020667443 [0,2,0,0,0,0|1,0,0]=3 10583 B10R0.4 O=C([O-])COCCCCCI 34a_200012148887_100020667443 [0,2,0,0,0,0|1,0,0]=3 10584 B10R0.4 O=C([O-])COCCOCCBr 34a_100000692535_100020667443 [0,2,0,0,0,0|2,0,0]=4 10585 B10R0.4 O=C([O-])COCCOCCCl 34a_100011215305_100020667443 [0,2,0,0,0,0|2,0,0]=4 10586 B10R0.4 O=C([O-])COCCOCCF 34a_200015357709_100020667443 [0,2,0,0,0,0|2,0,0]=4 10587 B10R0.4 O=C([O-])COCCOCCI 34a_100012149058_100020667443 [0,2,0,0,0,0|2,0,0]=4 10588 B10R0.4 O=C([O-])CSCCCCCF 62a_100000729378_100020667443 [0,2,0,0,0,0|1,0,0]=3 10589 B10R0.4 O=C([O-])CSCCCCCF 62a_100020667443_100000729378 [0,2,0,0,0,0|1,0,0]=3 10590 B10R0.4 O=C([O-])CSCCCCCO 62a_100000746330_100020667443 [0,2,0,0,0,0|1,0,0]=3 10591 B10R0.4 O=C([O-])CSCCCCCO 62a_100020667443_100000746330 [0,2,0,0,0,0|1,0,0]=3 10592 B10R0.4 O=C([O-])CSCCOCCO 62a_100011215305_100020667443 [0,2,0,0,0,0|2,0,0]=4 10593 B10R0.4 O=C([O-])CSCCOCCO 62a_100020667443_100011215305 [0,2,0,0,0,0|2,0,0]=4 10594 B10R0.4 O=CCCCCNCC(=O)O 269956a_100016091260_100000139335 [0,2,0,0,0,0|1,0,1]=4 10595 B10R0.4 O=CCCCCSCC(=O)[O-] 62a_100000139335_100020667443 [0,2,0,0,0,0|1,0,1]=4 10596 B10R0.4 O=CCCCCSCC(=O)[O-] 62a_100020667443_100000139335 [0,2,0,0,0,0|1,0,1]=4 10597 B10R0.4 O=[N+]([O-])CCCCOCCF 34a_200015379883_100011217306 [0,2,0,0,0,0|2,0,0]=4 10598 B10R0.4 O=[N+]([O-])CCCCOCCF 7a_200015379883_100011217306 [0,2,0,0,0,0|2,0,0]=4 10599 B10R0.4 O=[N+]([O-])CCCCOCCO 34a_200015379883_100000211926 [0,2,0,0,0,0|2,0,0]=4 10600 B10R0.4 O=[N+]([O-])CCCCOCCO 7a_200015379883_100000211926 [0,2,0,0,0,0|2,0,0]=4 10601 B10R0.4 O=[N+]([O-])CCCOCCCF 34a_200000037920_100011934791 [0,2,0,0,0,0|2,0,0]=4 10602 B10R0.4 O=[N+]([O-])CCCOCCCO 34a_200000037920_100000230001 [0,2,0,0,0,0|2,0,0]=4 10603 B10R0.4 O=[N+]([O-])CNCCCCCO 34a_100000762737_100000761209 [0,2,0,0,0,0|2,0,0]=4 10604 B10R0.4 O=[N+]([O-])COCCCCCBr 34a_100000746331_100000761209 [0,2,0,0,0,0|2,0,0]=4 10605 B10R0.4 O=[N+]([O-])COCCCCCCl 34a_100000746330_100000761209 [0,2,0,0,0,0|2,0,0]=4 10606 B10R0.4 O=[N+]([O-])COCCCCCI 34a_200012148887_100000761209 [0,2,0,0,0,0|2,0,0]=4 10607 B10R0.4 O=[N+]([O-])CSCCCCCF 62a_100000729378_100000761209 [0,2,0,0,0,0|2,0,0]=4 10608 B10R0.4 O=[N+]([O-])CSCCCCCO 62a_100000746330_100000761209 [0,2,0,0,0,0|2,0,0]=4 10609 B10R0.4 [13CH3]C(=O)CCCCCCCO 1458a_100011219782_200025704644 [0,2,0,0,0,0|0,0,0]=2 10610 B10R0.4 [13CH3]C(=O)CCCCCN=[N+]=[N-] 1458a_100009870042_200025704644 [0,2,0,0,0,0|1,0,0]=3 10611 B10R0.4 [13CH3]C(=O)COCCOCCO 1458a_106645077154_200025704644 [0,2,0,0,0,0|1,0,0]=3 10612 B10R0.6 C=C(C)CC(=O)CCCCC 1458a_100000212188_100000748629 [0,2,0,0,0,0|1,0,0]=3 10613 B10R0.6 C=C(C)CC(=O)CCCCO 1458a_100000695505_100000748629 [0,2,0,0,0,0|1,0,1]=4 10614 B10R0.6 C=C(C)CC(=O)CCCOC 1458a_100000741012_100000748629 [0,2,0,0,0,0|1,0,1]=4 10615 B10R0.6 C=C(C)CC(=O)CCCSC 1458a_100000173376_100000748629 [0,2,0,0,0,0|1,0,1]=4 10616 B10R0.6 C=C(C)CC(=O)CCOCC 1458a_100000749530_100000748629 [0,2,0,0,0,0|1,0,1]=4 10617 B10R0.6 C=C(C)CC(=O)CCSCC 1458a_100000230768_100000748629 [0,2,0,0,0,0|1,0,1]=4 10618 B10R0.6 C=C(C)CC(=O)COCCC 1458a_100000745993_100000748629 [0,2,0,0,0,0|1,0,1]=4 10619 B10R0.6 C=C(C)CC(=O)CSCCC 1458a_100000217233_100000748629 [0,2,0,0,0,0|1,0,1]=4 10620 B10R0.6 C=C(C)CN(C)CCCCC 2230a_100000223495_100000748629 [0,2,0,0,0,0|1,0,0]=3 10621 B10R0.6 C=C(C)CN(C)CCCCC 2230a_100000225649_100000210326 [0,2,0,0,0,0|1,0,0]=3 10622 B10R0.6 C=C(C)CN(C)CCCCC 269982a_100000223495_100000748629 [0,2,0,0,0,0|1,0,0]=3 10623 B10R0.6 C=C(C)CN(C)CCCCC 269982a_100000225649_100000210215 [0,2,0,0,0,0|1,0,0]=3 10624 B10R0.6 C=C(C)CN(C)CCCCF 2230a_100000225649_100000729493 [0,2,0,0,0,0|2,0,0]=4 10625 B10R0.6 C=C(C)CN(C)CCCCF 269982a_100000225649_100000729493 [0,2,0,0,0,0|2,0,0]=4 10626 B10R0.6 C=C(C)CN(C)CCCCO 2230a_100000225649_100000210776 [0,2,0,0,0,0|2,0,0]=4 10627 B10R0.6 C=C(C)CN(C)CCCCO 2230a_100000717598_100000748629 [0,2,0,0,0,0|2,0,0]=4 10628 B10R0.6 C=C(C)CN(C)CCCCO 269982a_100000225649_100000210776 [0,2,0,0,0,0|2,0,0]=4 10629 B10R0.6 C=C(C)CN(C)CCCCO 269982a_100000717598_100000748629 [0,2,0,0,0,0|2,0,0]=4 10630 B10R0.6 C=C(C)CN(C)CCCOC 2230a_100000224831_100000748629 [0,2,0,0,0,0|2,0,0]=4 10631 B10R0.6 C=C(C)CN(C)CCCOC 2230a_100000225649_100000740836 [0,2,0,0,0,0|2,0,0]=4 10632 B10R0.6 C=C(C)CN(C)CCCOC 269982a_100000224831_100000748629 [0,2,0,0,0,0|2,0,0]=4 10633 B10R0.6 C=C(C)CN(C)CCCOC 269982a_100000225649_100000740836 [0,2,0,0,0,0|2,0,0]=4 10634 B10R0.6 C=C(C)CN(C)CCOCC 2230a_100000225649_100011215890 [0,2,0,0,0,0|2,0,0]=4 10635 B10R0.6 C=C(C)CN(C)CCOCC 269982a_100000225649_100011215890 [0,2,0,0,0,0|2,0,0]=4 10636 B10R0.6 C=C(C)CN(C)CCSCC 2230a_100000225649_100000757381 [0,2,0,0,0,0|2,0,0]=4 10637 B10R0.6 C=C(C)CN(C)CCSCC 269982a_100000225649_100000757381 [0,2,0,0,0,0|2,0,0]=4 10638 B10R0.6 C=C(F)CC(=O)CCCCC 1458a_100000212188_100009893438 [0,2,0,0,0,0|1,0,1]=4 10639 B10R0.6 C=C(F)CN(C)CCCCC 2230a_100000223495_100009893438 [0,2,0,0,0,0|1,0,1]=4 10640 B10R0.6 C=C(F)CN(C)CCCCC 269982a_100000223495_100009893438 [0,2,0,0,0,0|1,0,1]=4 10641 B10R0.6 CC(=O)CC(=O)OCCS[13CH3] 62a_100000102702_200025704644 [0,2,0,0,0,0|1,0,1]=4 10642 B10R0.6 CC(=O)CC(=O)OCCS[13CH3] 62a_200025704644_100000102702 [0,2,0,0,0,0|1,0,1]=4 10643 B10R0.6 CC(=O)OC(C)SCCCF 62a_100009818208_100011934791 [0,2,0,0,0,0|2,0,0]=4 10644 B10R0.6 CC(=O)OC(C)SCCCF 62a_100011934791_100009818208 [0,2,0,0,0,0|2,0,0]=4 10645 B10R0.6 CC(=O)OC(C)SCCCO 62a_100009818208_100011215043 [0,2,0,0,0,0|2,0,0]=4 10646 B10R0.6 CC(=O)OC(C)SCCCO 62a_100011215043_100009818208 [0,2,0,0,0,0|2,0,0]=4 10647 B10R0.6 CCCCCC(=O)C=C(C)C 1458a_100000211388_100000210326 [0,2,0,0,0,0|1,0,1]=4 10648 B10R0.6 CCCCCC(=O)C=C(C)Cl 1458a_200042562850_100000210326 [0,2,0,0,0,0|1,0,1]=4 10649 B10R0.6 CCCCCC(=O)C=C(C)I 1458a_100025716642_100000210326 [0,2,0,0,0,0|1,0,1]=4 10650 B10R0.6 CCCCCC(=O)CC(=O)C 1458a_100000070787_200012276598 [0,2,0,0,0,0|0,0,0]=2 10651 B10R0.6 CCCCCC(=O)CC(=O)N 1458a_100000212188_100000187820 [0,2,0,0,0,0|1,0,0]=3 10652 B10R0.6 CCCCCC(=O)CC(=O)N 1458a_100134613110_100000210326 [0,2,0,0,0,0|1,0,0]=3 10653 B10R0.6 CCCCCC(=O)CC(=O)[O-] 1458a_100000212188_100020667443 [0,2,0,0,0,0|1,0,0]=3 10654 B10R0.6 CCCCCC(=O)CC(C)C 1458a_100000210554_100000210326 [0,2,0,0,0,0|1,0,1]=4 10655 B10R0.6 CCCCCC(=O)CC(C)C 1458a_100000212188_100000210624 [0,2,0,0,0,0|1,0,1]=4 10656 B10R0.6 CCCCCC(=O)CC(C)O 1458a_100000212188_100011218427 [0,2,0,0,0,0|0,0,2]=4 10657 B10R0.6 CCCCCC(=O)CN(C)C 1458a_100000750896_100000210326 [0,2,0,0,0,0|2,0,0]=4 10658 B10R0.6 CCCCCC(=O)CN(C)C 2230a_100102631434_200012276598 [0,2,0,0,0,0|2,0,0]=4 10659 B10R0.6 CCCCCC(=O)CN(C)C 269982a_100102631434_200012276598 [0,2,0,0,0,0|2,0,0]=4 10660 B10R0.6 CCCCCC(=O)C[C@@H](C)O 1458a_100011933948_100000210326 [0,2,0,0,0,0|0,0,2]=4 10661 B10R0.6 CCCCCC(=O)C[N+](=O)[O-] 1458a_100000212188_100000761209 [0,2,0,0,0,0|2,0,0]=4 10662 B10R0.6 CCCCCC(=O)C[S+](C)C 1458a_200159257847_100000210326 [0,2,0,0,0,0|2,0,0]=4 10663 B10R0.6 CCCCCC(C)NC(=O)C 11a_100000211957_100015343762 [0,2,0,0,0,0|0,0,0]=2 10664 B10R0.6 CCCCCC(C)NC(=O)C 1626a_100000211957_100015343762 [0,2,0,0,0,0|0,0,0]=2 10665 B10R0.6 CCCCCC(C)NC(=O)C 240690a_100000211957_100015343762 [0,2,0,0,0,0|0,0,0]=2 10666 B10R0.6 CCCCCC(C)NC(=O)C 527a_100000211957_100103153847 [0,2,0,0,0,0|0,0,0]=2 10667 B10R0.6 CCCCCC(C)NC(C)C 2230a_100000211957_100000210206 [0,2,0,0,0,0|1,0,1]=4 10668 B10R0.6 CCCCCC(C)NC(C)C 2230a_100138425928_200011218191 [0,2,0,0,0,0|1,0,1]=4 10669 B10R0.6 CCCCCC(C)NC(C)C 34a_100138425928_200011218191 [0,2,0,0,0,0|1,0,1]=4 10670 B10R0.6 CCCCCC(C)OC(C)C 34a_100000212225_200011218191 [0,2,0,0,0,0|1,0,1]=4 10671 B10R0.6 CCCCCC(C)OC(C)C 34a_100011215632_100000210206 [0,2,0,0,0,0|1,0,1]=4 10672 B10R0.6 CCCCCC(C)OC(C)C 7a_100011215632_100000210206 [0,2,0,0,0,0|1,0,1]=4 10673 B10R0.6 CCCCCC(C)SC(C)C 62a_100000210206_200011218191 [0,2,0,0,0,0|1,0,1]=4 10674 B10R0.6 CCCCCC(C)SC(C)C 62a_200011218191_100000210206 [0,2,0,0,0,0|1,0,1]=4 10675 B10R0.6 CCCCCN(C)CC(=O)N 2230a_100000223495_100000747473 [0,2,0,0,0,0|1,0,0]=3 10676 B10R0.6 CCCCCN(C)CC(=O)N 2230a_100000739694_100000210326 [0,2,0,0,0,0|1,0,0]=3 10677 B10R0.6 CCCCCN(C)CC(=O)N 269982a_100000223495_100000187820 [0,2,0,0,0,0|1,0,0]=3 10678 B10R0.6 CCCCCN(C)CC(=O)O 269956a_100000746989_100000210326 [0,2,0,0,0,0|1,0,0]=3 10679 B10R0.6 CCCCCN(C)CC(=O)[O-] 269982a_100000223495_100020667443 [0,2,0,0,0,0|1,0,0]=3 10680 B10R0.6 CCCCCN(C)CC(C)C 2230a_100000223495_100000210760 [0,2,0,0,0,0|1,0,1]=4 10681 B10R0.6 CCCCCN(C)CC(C)C 2230a_100000747067_100000210326 [0,2,0,0,0,0|1,0,1]=4 10682 B10R0.6 CCCCCN(C)CC(C)C 269982a_100000223495_100000210624 [0,2,0,0,0,0|1,0,1]=4 10683 B10R0.6 CCCCCN(C)CC(C)C 269982a_100000747067_100000210215 [0,2,0,0,0,0|1,0,1]=4 10684 B10R0.6 CCCCCN(C)CC(C)C 270004a_100000223495_100000210432 [0,2,0,0,0,0|1,0,1]=4 10685 B10R0.6 CCCCCN(C)CC(C)O 2230a_100000223495_100011218427 [0,2,0,0,0,0|0,0,2]=4 10686 B10R0.6 CCCCCN(C)CC(C)O 2230a_100000227577_100000210326 [0,2,0,0,0,0|0,0,2]=4 10687 B10R0.6 CCCCCN(C)CC(C)O 269982a_100000223495_100011218427 [0,2,0,0,0,0|0,0,2]=4 10688 B10R0.6 CCCCCN(C)CC(C)O 269982a_100000227577_100000210215 [0,2,0,0,0,0|0,0,2]=4 10689 B10R0.6 CCCCCN(C)C[C@@H](C)O 2230a_100000223495_100009817552 [0,2,0,0,0,0|0,0,2]=4 10690 B10R0.6 CCCCCN(C)C[C@@H](C)O 269982a_100000223495_100009817552 [0,2,0,0,0,0|0,0,2]=4 10691 B10R0.6 CCCCCN(C)C[N+](=O)[O-] 269982a_100000223495_100000761209 [0,2,0,0,0,0|2,0,0]=4 10692 B10R0.6 CCCCNC(=O)CC(=O)C 1458a_100000070787_100000182744 [0,2,0,0,0,0|0,0,1]=3 10693 B10R0.6 CCCCNC(=O)CC(=O)N 240690a_100000102301_100134613110 [0,2,0,0,0,0|1,0,1]=4 10694 B10R0.6 CCCCNC(=O)CC(=O)N 527a_100000102301_100134613110 [0,2,0,0,0,0|1,0,1]=4 10695 B10R0.6 CCCCNC(C)CC(C)C 2230a_100000102301_100000731052 [0,2,0,0,0,0|1,0,1]=4 10696 B10R0.6 CCCCNC(C)CC(C)C 2230a_100000692259_100000210211 [0,2,0,0,0,0|1,0,1]=4 10697 B10R0.6 CCCCNC(C)CC(C)C 7a_106832991798_100000731052 [0,2,0,0,0,0|1,0,1]=4 10698 B10R0.6 CCCCOC(=O)CC(=O)C 1458a_100000070787_100000211628 [0,2,0,0,0,0|0,0,1]=3 10699 B10R0.6 CCCCOC(C)C=C(C)C 34a_100000717055_100000210210 [0,2,0,0,0,0|1,0,1]=4 10700 B10R0.6 CCCCOC(C)CC(C)C 34a_100000210227_100000731052 [0,2,0,0,0,0|1,0,1]=4 10701 B10R0.6 CCCCOC(C)CC(C)C 34a_100000211805_100000210210 [0,2,0,0,0,0|1,0,1]=4 10702 B10R0.6 CCCCOC(C)CC(C)C 7a_100000210227_100000731052 [0,2,0,0,0,0|1,0,1]=4 10703 B10R0.6 CCCCOC(C)CC(C)C 7a_100000211805_100000210211 [0,2,0,0,0,0|1,0,1]=4 10704 B10R0.6 CCCCSC(C)CC(C)C 62a_100000210211_100000731052 [0,2,0,0,0,0|1,0,1]=4 10705 B10R0.6 CCCCSC(C)CC(C)C 62a_100000731052_100000210210 [0,2,0,0,0,0|1,0,1]=4 10706 B10R0.6 CCCCSC(C)CN(C)C 62a_100000210211_100020606517 [0,2,0,0,0,0|2,0,0]=4 10707 B10R0.6 CCCCSC(C)CN(C)C 62a_100020606517_100000210210 [0,2,0,0,0,0|2,0,0]=4 10708 B10R0.6 CCCCSC(C)OC(=O)C 62a_100000210211_100009818208 [0,2,0,0,0,0|1,0,0]=3 10709 B10R0.6 CCCCSC(C)OC(=O)C 62a_100009818208_100000210210 [0,2,0,0,0,0|1,0,0]=3 10710 B10R0.6 CCCNCC(O)CC(=O)O 269956a_100011218706_100000210207 [0,2,0,0,0,0|1,0,0]=3 10711 B10R0.6 CCCOCC(=O)CC(=O)N 1458a_100000745993_100000187820 [0,2,0,0,0,0|1,0,1]=4 10712 B10R0.6 CCCOCC(=O)CC(=O)[O-] 1458a_100000745993_100020667443 [0,2,0,0,0,0|1,0,1]=4 10713 B10R0.6 CCCOC[C@@H](N)CC(C)C 34a_100011830311_100000210303 [0,2,0,0,0,0|1,0,1]=4 10714 B10R0.6 CCCSCC(=O)CC(=O)N 1458a_100000217233_100000187820 [0,2,0,0,0,0|1,0,1]=4 10715 B10R0.6 CCCSCC(=O)CC(=O)[O-] 1458a_100000217233_100020667443 [0,2,0,0,0,0|1,0,1]=4 10716 B10R0.6 CCCSCC(=O)NC(=O)C 62a_100000210303_100000183797 [0,2,0,0,0,0|1,0,1]=4 10717 B10R0.6 CCCSCC(C)CN(C)C 62a_100000210303_100015348159 [0,2,0,0,0,0|2,0,0]=4 10718 B10R0.6 CCCSCC(C)CN(C)C 62a_100015348159_100000210303 [0,2,0,0,0,0|2,0,0]=4 10719 B10R0.6 CCOCCC(=O)CC(=O)N 1458a_100000749530_100000187820 [0,2,0,0,0,0|1,0,1]=4 10720 B10R0.6 CCOCCC(=O)CC(=O)N 1458a_100134613110_100011215890 [0,2,0,0,0,0|1,0,1]=4 10721 B10R0.6 CCOCCC(=O)CC(=O)[O-] 1458a_100000749530_100020667443 [0,2,0,0,0,0|1,0,1]=4 10722 B10R0.6 CCOCCN(C)CC(=O)N 2230a_100000739694_100011215890 [0,2,0,0,0,0|2,0,0]=4 10723 B10R0.6 CCOCCN(C)CC(=O)O 269956a_100000746989_100000210147 [0,2,0,0,0,0|2,0,0]=4 10724 B10R0.6 CCOCC[C@@H](N)CC(C)C 34a_100161151251_100000210202 [0,2,0,0,0,0|1,0,1]=4 10725 B10R0.6 CCOCSC(C)OC(=O)C 62a_100000739092_100009818208 [0,2,0,0,0,0|2,0,0]=4 10726 B10R0.6 CCOCSC(C)OC(=O)C 62a_100009818208_100000739092 [0,2,0,0,0,0|2,0,0]=4 10727 B10R0.6 CCSCCC(=O)CC(=O)N 1458a_100000230768_100000187820 [0,2,0,0,0,0|1,0,1]=4 10728 B10R0.6 CCSCCC(=O)CC(=O)N 1458a_100134613110_100000757381 [0,2,0,0,0,0|1,0,1]=4 10729 B10R0.6 CCSCCC(=O)CC(=O)[O-] 1458a_100000230768_100020667443 [0,2,0,0,0,0|1,0,1]=4 10730 B10R0.6 CCSCCN(C)CC(=O)N 2230a_100000739694_100000757381 [0,2,0,0,0,0|2,0,0]=4 10731 B10R0.6 CCSCCN(C)CC(=O)O 269956a_100000746989_100000757381 [0,2,0,0,0,0|2,0,0]=4 10732 B10R0.6 CN(CCCCF)CC(=O)N 2230a_100000739694_100000729493 [0,2,0,0,0,0|2,0,0]=4 10733 B10R0.6 CN(CCCCF)CC(=O)O 269956a_100000746989_100000729493 [0,2,0,0,0,0|2,0,0]=4 10734 B10R0.6 CN(CCCCO)CC(=O)N 2230a_100000717598_100000747473 [0,2,0,0,0,0|2,0,0]=4 10735 B10R0.6 CN(CCCCO)CC(=O)N 2230a_100000739694_100000210776 [0,2,0,0,0,0|2,0,0]=4 10736 B10R0.6 CN(CCCCO)CC(=O)N 269982a_100000717598_100000187820 [0,2,0,0,0,0|2,0,0]=4 10737 B10R0.6 CN(CCCCO)CC(=O)O 269956a_100000746989_100000210776 [0,2,0,0,0,0|2,0,0]=4 10738 B10R0.6 CN(CCCCO)CC(=O)[O-] 269982a_100000717598_100020667443 [0,2,0,0,0,0|2,0,0]=4 10739 B10R0.6 CNCCOC(=O)CC(=O)C 34a_100102657272_100000102702 [0,2,0,0,0,0|1,0,1]=4 10740 B10R0.6 COCCCC(=O)CC(=O)N 1458a_100000741012_100000187820 [0,2,0,0,0,0|1,0,1]=4 10741 B10R0.6 COCCCC(=O)CC(=O)N 1458a_100134613110_100000740836 [0,2,0,0,0,0|1,0,1]=4 10742 B10R0.6 COCCCC(=O)CC(=O)[O-] 1458a_100000741012_100020667443 [0,2,0,0,0,0|1,0,1]=4 10743 B10R0.6 COCCCN(C)CC(=O)N 2230a_100000224831_100000747473 [0,2,0,0,0,0|2,0,0]=4 10744 B10R0.6 COCCCN(C)CC(=O)N 2230a_100000739694_100000740836 [0,2,0,0,0,0|2,0,0]=4 10745 B10R0.6 COCCCN(C)CC(=O)N 269982a_100000224831_100000187820 [0,2,0,0,0,0|2,0,0]=4 10746 B10R0.6 COCCCN(C)CC(=O)O 269956a_100000746989_100000740836 [0,2,0,0,0,0|2,0,0]=4 10747 B10R0.6 COCCCN(C)CC(=O)[O-] 269982a_100000224831_100020667443 [0,2,0,0,0,0|2,0,0]=4 10748 B10R0.6 COCCNC(=O)CC(=O)C 1458a_100000070787_100000183275 [0,2,0,0,0,0|1,0,1]=4 10749 B10R0.6 COCCOC(=O)CC(=O)C 1458a_100000070787_200000040189 [0,2,0,0,0,0|1,0,1]=4 10750 B10R0.6 COCCOC(=O)CC(=O)C 34a_100138415774_100000102702 [0,2,0,0,0,0|1,0,1]=4 10751 B10R0.6 COCCSC(C)OC(=O)C 62a_100000233755_100009818208 [0,2,0,0,0,0|2,0,0]=4 10752 B10R0.6 COCCSC(C)OC(=O)C 62a_100009818208_100000233755 [0,2,0,0,0,0|2,0,0]=4 10753 B10R0.6 COCNCC(O)CC(=O)O 269956a_100011218706_100000766300 [0,2,0,0,0,0|2,0,0]=4 10754 B10R0.6 CSCCCC(=O)CC(=O)N 1458a_100000173376_100000187820 [0,2,0,0,0,0|1,0,1]=4 10755 B10R0.6 CSCCCC(=O)CC(=O)[O-] 1458a_100000173376_100020667443 [0,2,0,0,0,0|1,0,1]=4 10756 B10R0.6 CSCCOC(=O)CC(=O)C 62a_100000102702_200000210301 [0,2,0,0,0,0|1,0,1]=4 10757 B10R0.6 CSCCOC(=O)CC(=O)C 62a_200000210301_100000102702 [0,2,0,0,0,0|1,0,1]=4 10758 B10R0.6 CSCCSC(C)OC(=O)C 62a_100000212216_100009818208 [0,2,0,0,0,0|2,0,0]=4 10759 B10R0.6 CSCCSC(C)OC(=O)C 62a_100009818208_100000751147 [0,2,0,0,0,0|2,0,0]=4 10760 B10R0.6 CSCNCC(O)CC(=O)O 269956a_100011218706_100011218213 [0,2,0,0,0,0|2,0,0]=4 10761 B10R0.6 NC(=O)CC(=O)CCCCF 1458a_100134613110_100000729493 [0,2,0,0,0,0|1,0,1]=4 10762 B10R0.6 NC(=O)CC(=O)CCCCO 1458a_100000695505_100000187820 [0,2,0,0,0,0|1,0,1]=4 10763 B10R0.6 NC(=O)CC(=O)CCCCO 1458a_100134613110_100000210776 [0,2,0,0,0,0|1,0,1]=4 10764 B10R0.6 O=C(O)CC(O)CNCCF 269956a_100011218706_100011217306 [0,2,0,0,0,0|2,0,0]=4 10765 B10R0.6 O=C(O)CC(O)CNCCO 269956a_100011218706_100000211926 [0,2,0,0,0,0|2,0,0]=4 10766 B10R0.6 O=C([O-])CC(=O)CCCCO 1458a_100000695505_100020667443 [0,2,0,0,0,0|1,0,1]=4 10767 B10R0.22 CC(C)(O)CCCCCS[13CH3] 62a_100010402123_200025704644 [0,2,0,0,0,0|0,0,2]=4 10768 B10R0.22 CC(C)(O)CCCCCS[13CH3] 62a_200025704644_100010402123 [0,2,0,0,0,0|0,0,2]=4 10769 B10R0.22 CCCCCCNC(C)(C)C 2230a_100000715429_100000210314 [0,2,0,0,0,0|1,0,1]=4 10770 B10R0.22 CCCCCCNS(=O)(=O)C 40a_100000210581_100000738038 [0,2,0,0,0,0|1,0,0]=3 10771 B10R0.22 CCCCCCOC(C)(C)C 34a_100000210259_100000210625 [0,2,0,0,0,0|1,0,1]=4 10772 B10R0.22 CCCCCCOC(C)(C)C 34a_100015890283_100000210314 [0,2,0,0,0,0|1,0,1]=4 10773 B10R0.22 CCCCCCOC(C)(C)C 7a_100015890283_100000210314 [0,2,0,0,0,0|1,0,1]=4 10774 B10R0.22 CCCCCCSC(C)(C)C 62a_100000210314_100000211941 [0,2,0,0,0,0|1,0,1]=4 10775 B10R0.22 CCCCCCSC(C)(C)C 62a_100000211941_100000210757 [0,2,0,0,0,0|1,0,1]=4 10776 B10R0.22 CCCCCNCC(C)(C)C 2230a_100000743828_100000210326 [0,2,0,0,0,0|1,0,1]=4 10777 B10R0.22 CCCCCNCC(C)(C)C 270004a_100000209983_100011204126 [0,2,0,0,0,0|1,0,1]=4 10778 B10R0.22 CCCCCNCC(C)(C)F 2230a_100020643315_100000210326 [0,2,0,0,0,0|1,0,1]=4 10779 B10R0.22 CCCCCNCC(C)(C)O 2230a_100000751335_100000210326 [0,2,0,0,0,0|0,0,2]=4 10780 B10R0.22 CCCCCNC[Si](C)(C)C 2230a_100000209983_100000037933 [0,2,0,0,0,0|1,1,0]=4 10781 B10R0.22 CCCCCNNS(=O)(=O)C 40a_100000694160_100000738038 [0,2,0,0,0,0|2,0,0]=4 10782 B10R0.22 CCCCCOCC(C)(C)C 34a_100000210253_100011219605 [0,2,0,0,0,0|1,0,1]=4 10783 B10R0.22 CCCCCOCC(C)(C)F 34a_100000210253_100011997219 [0,2,0,0,0,0|1,0,1]=4 10784 B10R0.22 CCCCCOCC(C)(C)F 34a_100000716592_100000718602 [0,2,0,0,0,0|1,0,1]=4 10785 B10R0.22 CCCCCOCC(C)(C)O 34a_100000210253_100000764493 [0,2,0,0,0,0|0,0,2]=4 10786 B10R0.22 CCCCCOCC(C)(C)O 7a_100000210253_100000764493 [0,2,0,0,0,0|0,0,2]=4 10787 B10R0.22 CCCCCOCC(C)(F)F 34a_100000068830_100000718602 [0,2,0,0,0,0|1,0,1]=4 10788 B10R0.22 CCCCCOCS(=O)(=O)[O-] 34a_100000210253_100009817235 [0,2,0,0,0,0|2,0,0]=4 10789 B10R0.22 CCCCCOC[Si](C)(C)C 7a_100000210253_100000233785 [0,2,0,0,0,0|1,1,0]=4 10790 B10R0.22 CCCCCSCC(C)(C)C 62a_100000210326_100011219605 [0,2,0,0,0,0|1,0,1]=4 10791 B10R0.22 CCCCCSCC(C)(C)C 62a_100011219605_100000210326 [0,2,0,0,0,0|1,0,1]=4 10792 B10R0.22 CCCCCSCC(C)(C)F 62a_100000210326_100011997219 [0,2,0,0,0,0|1,0,1]=4 10793 B10R0.22 CCCCCSCC(C)(C)F 62a_100011997219_100000210326 [0,2,0,0,0,0|1,0,1]=4 10794 B10R0.22 CCCCCSCC(C)(C)O 62a_100000210326_100000764493 [0,2,0,0,0,0|0,0,2]=4 10795 B10R0.22 CCCCCSCC(C)(C)O 62a_100000764493_100000210326 [0,2,0,0,0,0|0,0,2]=4 10796 B10R0.22 CCCCCSCS(=O)(=O)N 62a_100000210326_100000741382 [0,2,0,0,0,0|2,0,0]=4 10797 B10R0.22 CCCCCSCS(=O)(=O)N 62a_100000741382_100000210326 [0,2,0,0,0,0|2,0,0]=4 10798 B10R0.22 CCCCCSCS(=O)(=O)[O-] 62a_100000210326_100009817235 [0,2,0,0,0,0|2,0,0]=4 10799 B10R0.22 CCCCCSCS(=O)(=O)[O-] 62a_100009817235_100000210326 [0,2,0,0,0,0|2,0,0]=4 10800 B10R0.22 CCCCCSC[N+](C)(C)C 62a_100000210326_200000036245 [0,2,0,0,0,0|2,0,0]=4 10801 B10R0.22 CCCCCSC[N+](C)(C)C 62a_200000036245_100000210326 [0,2,0,0,0,0|2,0,0]=4 10802 B10R0.22 CCCCCSC[Si](C)(C)C 62a_100000037933_100000210326 [0,2,0,0,0,0|1,1,0]=4 10803 B10R0.22 CCCCCSC[Si](C)(C)C 62a_100000210326_100000037933 [0,2,0,0,0,0|1,1,0]=4 10804 B10R0.22 CCCCNCCC(C)(C)C 2230a_100000102301_100000755188 [0,2,0,0,0,0|1,0,1]=4 10805 B10R0.22 CCCCNCCC(C)(C)C 2230a_100000738805_100000210211 [0,2,0,0,0,0|1,0,1]=4 10806 B10R0.22 CCCCNCCC(C)(C)C 7a_106832991798_100000755188 [0,2,0,0,0,0|1,0,1]=4 10807 B10R0.22 CCCCNCCC(C)(C)F 2230a_100016253952_100000210211 [0,2,0,0,0,0|1,0,1]=4 10808 B10R0.22 CCCCNCCC(C)(C)O 2230a_100000102301_100000702414 [0,2,0,0,0,0|0,0,2]=4 10809 B10R0.22 CCCCNCCC(C)(C)O 7a_106832991798_100000702414 [0,2,0,0,0,0|0,0,2]=4 10810 B10R0.22 CCCCNCCS(=O)(=O)C 2230a_100000102301_100000731031 [0,2,0,0,0,0|1,0,0]=3 10811 B10R0.22 CCCCNCCS(=O)(=O)C 2230a_100000740961_100000210211 [0,2,0,0,0,0|1,0,0]=3 10812 B10R0.22 CCCCNCCS(=O)(=O)C 34a_100000740961_100000210210 [0,2,0,0,0,0|1,0,0]=3 10813 B10R0.22 CCCCNCCS(=O)(=O)C 7a_106832991798_100000230027 [0,2,0,0,0,0|1,0,0]=3 10814 B10R0.22 CCCCNCCS(=O)(=O)N 2230a_100000738205_100000210211 [0,2,0,0,0,0|2,0,0]=4 10815 B10R0.22 CCCCNCCS(=O)(=O)N 34a_100000738205_100000210210 [0,2,0,0,0,0|2,0,0]=4 10816 B10R0.22 CCCCNCCS(=O)(=O)[O-] 2230a_100000102301_100000737633 [0,2,0,0,0,0|2,0,0]=4 10817 B10R0.22 CCCCNCC[N+](C)(C)C 7a_106832991798_100000085578 [0,2,0,0,0,0|2,0,0]=4 10818 B10R0.22 CCCCNCC[Si](C)(C)C 2230a_100000102301_200000733723 [0,2,0,0,0,0|1,1,0]=4 10819 B10R0.22 CCCCNCC[Si](C)(C)C 7a_106832991798_200000733723 [0,2,0,0,0,0|1,1,0]=4 10820 B10R0.22 CCCCOCCC(C)(C)C 34a_100000210227_100000755188 [0,2,0,0,0,0|1,0,1]=4 10821 B10R0.22 CCCCOCCC(C)(C)C 7a_100000210227_100000755188 [0,2,0,0,0,0|1,0,1]=4 10822 B10R0.22 CCCCOCCC(C)(C)C 7a_100000765024_100000210211 [0,2,0,0,0,0|1,0,1]=4 10823 B10R0.22 CCCCOCCC(C)(C)O 34a_100000210227_100000702414 [0,2,0,0,0,0|0,0,2]=4 10824 B10R0.22 CCCCOCCC(C)(C)O 7a_100000210227_100000702414 [0,2,0,0,0,0|0,0,2]=4 10825 B10R0.22 CCCCOCCS(=O)(=O)C 34a_100000210227_100000731031 [0,2,0,0,0,0|1,0,0]=3 10826 B10R0.22 CCCCOCCS(=O)(=O)C 34a_100000211924_100000210210 [0,2,0,0,0,0|1,0,0]=3 10827 B10R0.22 CCCCOCCS(=O)(=O)C 7a_100000210227_100000230027 [0,2,0,0,0,0|1,0,0]=3 10828 B10R0.22 CCCCOCCS(=O)(=O)C 7a_100000211924_100000210211 [0,2,0,0,0,0|1,0,0]=3 10829 B10R0.22 CCCCOCCS(=O)(=O)N 34a_100012334274_100000210210 [0,2,0,0,0,0|2,0,0]=4 10830 B10R0.22 CCCCOCCS(=O)(=O)[O-] 34a_100000210227_100000762736 [0,2,0,0,0,0|2,0,0]=4 10831 B10R0.22 CCCCOCC[N+](C)(C)C 34a_100000210227_100000085578 [0,2,0,0,0,0|2,0,0]=4 10832 B10R0.22 CCCCOCC[N+](C)(C)C 7a_100000210227_100000085578 [0,2,0,0,0,0|2,0,0]=4 10833 B10R0.22 CCCCOCC[N+](C)(C)C 7a_200020618287_100000210211 [0,2,0,0,0,0|2,0,0]=4 10834 B10R0.22 CCCCOCC[Si](C)(C)C 34a_100000210227_200000733723 [0,2,0,0,0,0|1,1,0]=4 10835 B10R0.22 CCCCOCC[Si](C)(C)C 7a_100000039746_100000210211 [0,2,0,0,0,0|1,1,0]=4 10836 B10R0.22 CCCCOCC[Si](C)(C)C 7a_100000210227_200000733723 [0,2,0,0,0,0|1,1,0]=4 10837 B10R0.22 CCCCSCCC(C)(C)C 62a_100000210211_100000755188 [0,2,0,0,0,0|1,0,1]=4 10838 B10R0.22 CCCCSCCC(C)(C)C 62a_100000755188_100000210210 [0,2,0,0,0,0|1,0,1]=4 10839 B10R0.22 CCCCSCCC(C)(C)O 62a_100000210211_100000702414 [0,2,0,0,0,0|0,0,2]=4 10840 B10R0.22 CCCCSCCC(C)(C)O 62a_100000702414_100000210210 [0,2,0,0,0,0|0,0,2]=4 10841 B10R0.22 CCCCSCCS(=O)(=O)C 62a_100000210211_100000230027 [0,2,0,0,0,0|1,0,0]=3 10842 B10R0.22 CCCCSCCS(=O)(=O)C 62a_100000731031_100000210210 [0,2,0,0,0,0|1,0,0]=3 10843 B10R0.22 CCCCSCCS(=O)(=O)[O-] 62a_100000210211_100000762736 [0,2,0,0,0,0|2,0,0]=4 10844 B10R0.22 CCCCSCCS(=O)(=O)[O-] 62a_100000762736_100000210210 [0,2,0,0,0,0|2,0,0]=4 10845 B10R0.22 CCCCSCC[N+](C)(C)C 62a_100000085578_100000210210 [0,2,0,0,0,0|2,0,0]=4 10846 B10R0.22 CCCCSCC[N+](C)(C)C 62a_100000210211_100000085578 [0,2,0,0,0,0|2,0,0]=4 10847 B10R0.22 CCCCSCC[Si](C)(C)C 62a_100000210211_200000733723 [0,2,0,0,0,0|1,1,0]=4 10848 B10R0.22 CCCCSCC[Si](C)(C)C 62a_200000733723_100000210210 [0,2,0,0,0,0|1,1,0]=4 10849 B10R0.22 CCCNCCCS(=O)(=O)C 2230a_100000742409_100000210303 [0,2,0,0,0,0|1,0,0]=3 10850 B10R0.22 CCCNCCCS(=O)(=O)C 34a_100000742409_100000210303 [0,2,0,0,0,0|1,0,0]=3 10851 B10R0.22 CCCNCCNS(=O)(=O)C 34a_100000752411_100000210303 [0,2,0,0,0,0|2,0,0]=4 10852 B10R0.22 CCCOCCCC(C)(C)O 34a_100000210258_100009888830 [0,2,0,0,0,0|0,0,2]=4 10853 B10R0.22 CCCOCCCS(=O)(=O)C 34a_100000210258_100000754308 [0,2,0,0,0,0|1,0,0]=3 10854 B10R0.22 CCCOCCCS(=O)(=O)C 34a_100000689940_100000210303 [0,2,0,0,0,0|1,0,0]=3 10855 B10R0.22 CCCOCCCS(=O)(=O)C 7a_100000689940_100000210303 [0,2,0,0,0,0|1,0,0]=3 10856 B10R0.22 CCCOCCCS(=O)(=O)N 34a_100000210258_100000750626 [0,2,0,0,0,0|2,0,0]=4 10857 B10R0.22 CCCOCCCS(=O)(=O)[O-] 34a_100000210258_100009813499 [0,2,0,0,0,0|2,0,0]=4 10858 B10R0.22 CCCOCCC[N+](C)(C)C 34a_100000210258_100016990835 [0,2,0,0,0,0|2,0,0]=4 10859 B10R0.22 CCCOCCC[Si](C)(C)C 34a_100000210258_100011219597 [0,2,0,0,0,0|1,1,0]=4 10860 B10R0.22 CCCOCCC[Si](C)(C)C 7a_200011215415_100000210303 [0,2,0,0,0,0|1,1,0]=4 10861 B10R0.22 CCCOCCNS(=O)(=O)C 40a_100161115042_100000738038 [0,2,0,0,0,0|2,0,0]=4 10862 B10R0.22 CCCOCCOS(=O)(=O)C 34a_100000210258_200000036756 [0,2,0,0,0,0|2,0,0]=4 10863 B10R0.22 CCCSCCCC(C)(C)O 62a_100000210303_100009888830 [0,2,0,0,0,0|0,0,2]=4 10864 B10R0.22 CCCSCCCC(C)(C)O 62a_100009888830_100000210303 [0,2,0,0,0,0|0,0,2]=4 10865 B10R0.22 CCCSCCCS(=O)(=O)C 62a_100000210303_100000754308 [0,2,0,0,0,0|1,0,0]=3 10866 B10R0.22 CCCSCCCS(=O)(=O)C 62a_100000754308_100000210303 [0,2,0,0,0,0|1,0,0]=3 10867 B10R0.22 CCCSCCCS(=O)(=O)N 62a_100000210303_100000750626 [0,2,0,0,0,0|2,0,0]=4 10868 B10R0.22 CCCSCCCS(=O)(=O)N 62a_100000750626_100000210303 [0,2,0,0,0,0|2,0,0]=4 10869 B10R0.22 CCCSCCCS(=O)(=O)[O-] 62a_100000210303_100009813499 [0,2,0,0,0,0|2,0,0]=4 10870 B10R0.22 CCCSCCCS(=O)(=O)[O-] 62a_100009813499_100000210303 [0,2,0,0,0,0|2,0,0]=4 10871 B10R0.22 CCCSCCC[N+](C)(C)C 62a_100000210303_100016990835 [0,2,0,0,0,0|2,0,0]=4 10872 B10R0.22 CCCSCCC[N+](C)(C)C 62a_100016990835_100000210303 [0,2,0,0,0,0|2,0,0]=4 10873 B10R0.22 CCCSCCC[Si](C)(C)C 62a_100000210303_100011219597 [0,2,0,0,0,0|1,1,0]=4 10874 B10R0.22 CCCSCCC[Si](C)(C)C 62a_100011219597_100000210303 [0,2,0,0,0,0|1,1,0]=4 10875 B10R0.22 CCCSCCNS(=O)(=O)C 40a_100020603323_100000738038 [0,2,0,0,0,0|2,0,0]=4 10876 B10R0.22 CCCSCCNS(=O)(=O)C 62a_100000210303_100000754112 [0,2,0,0,0,0|2,0,0]=4 10877 B10R0.22 CCCSCCNS(=O)(=O)C 62a_100000754112_100000210303 [0,2,0,0,0,0|2,0,0]=4 10878 B10R0.22 CCCSCCOS(=O)(=O)C 62a_100000210303_200000036756 [0,2,0,0,0,0|2,0,0]=4 10879 B10R0.22 CCCSCCOS(=O)(=O)C 62a_200000036756_100000210303 [0,2,0,0,0,0|2,0,0]=4 10880 B10R0.22 CCNCCCNS(=O)(=O)C 34a_100000736790_100000210202 [0,2,0,0,0,0|2,0,0]=4 10881 B10R0.22 CCOCCCC[Si](C)(C)C 7a_200009881916_100000210202 [0,2,0,0,0,0|1,1,0]=4 10882 B10R0.22 CCOCCCNS(=O)(=O)C 40a_100000210961_100000738038 [0,2,0,0,0,0|2,0,0]=4 10883 B10R0.22 CCOCSCCS(=O)(=O)C 62a_100000731031_100000739092 [0,2,0,0,0,0|2,0,0]=4 10884 B10R0.22 CCOCSCCS(=O)(=O)C 62a_100000739092_100000230027 [0,2,0,0,0,0|2,0,0]=4 10885 B10R0.22 CNCCCCCC(C)(C)O 2230a_106832991635_100010402123 [0,2,0,0,0,0|0,0,2]=4 10886 B10R0.22 CNCCCCCC(C)(C)O 34a_100102657272_100010402123 [0,2,0,0,0,0|0,0,2]=4 10887 B10R0.22 CNCCCCCC(C)(C)O 7a_106832991635_100010402123 [0,2,0,0,0,0|0,0,2]=4 10888 B10R0.22 CNCCCCC[N+](C)(C)C 2230a_106832991635_100009813293 [0,2,0,0,0,0|2,0,0]=4 10889 B10R0.22 CNCCCCC[N+](C)(C)C 34a_100102657272_100009813293 [0,2,0,0,0,0|2,0,0]=4 10890 B10R0.22 CNCCCCC[N+](C)(C)C 7a_106832991635_100009813293 [0,2,0,0,0,0|2,0,0]=4 10891 B10R0.22 COCCCCCC(C)(C)O 34a_100138415774_100010402123 [0,2,0,0,0,0|0,0,2]=4 10892 B10R0.22 COCCCCC[N+](C)(C)C 34a_100138415774_100009813293 [0,2,0,0,0,0|2,0,0]=4 10893 B10R0.22 COCCNCCS(=O)(=O)C 2230a_100000209980_100000731031 [0,2,0,0,0,0|2,0,0]=4 10894 B10R0.22 COCCNCCS(=O)(=O)C 2230a_100000740961_100011201679 [0,2,0,0,0,0|2,0,0]=4 10895 B10R0.22 COCCNCCS(=O)(=O)C 34a_100000740961_100011201679 [0,2,0,0,0,0|2,0,0]=4 10896 B10R0.22 COCCOCCS(=O)(=O)C 34a_100000210237_100000731031 [0,2,0,0,0,0|2,0,0]=4 10897 B10R0.22 COCCOCCS(=O)(=O)C 34a_100000211924_100011201679 [0,2,0,0,0,0|2,0,0]=4 10898 B10R0.22 COCCOCCS(=O)(=O)C 7a_100000211924_100000233755 [0,2,0,0,0,0|2,0,0]=4 10899 B10R0.22 COCCSCCS(=O)(=O)C 62a_100000233755_100000230027 [0,2,0,0,0,0|2,0,0]=4 10900 B10R0.22 COCCSCCS(=O)(=O)C 62a_100000731031_100000233755 [0,2,0,0,0,0|2,0,0]=4 10901 B10R0.22 COCNCCCS(=O)(=O)C 2230a_100000742409_100000766300 [0,2,0,0,0,0|2,0,0]=4 10902 B10R0.22 COCSCCCS(=O)(=O)C 62a_100000754308_100000766300 [0,2,0,0,0,0|2,0,0]=4 10903 B10R0.22 COCSCCCS(=O)(=O)C 62a_100000766300_100000754308 [0,2,0,0,0,0|2,0,0]=4 10904 B10R0.22 CS(=O)(=O)CCCNCCF 2230a_100000742409_100011217306 [0,2,0,0,0,0|2,0,0]=4 10905 B10R0.22 CS(=O)(=O)CCCNCCF 34a_100000724931_100000754308 [0,2,0,0,0,0|2,0,0]=4 10906 B10R0.22 CS(=O)(=O)CCCNCCF 34a_100000742409_100011217306 [0,2,0,0,0,0|2,0,0]=4 10907 B10R0.22 CS(=O)(=O)CCCNCCO 2230a_100000742409_100000211926 [0,2,0,0,0,0|2,0,0]=4 10908 B10R0.22 CS(=O)(=O)CCCNCCO 2230a_100016997473_100000754308 [0,2,0,0,0,0|2,0,0]=4 10909 B10R0.22 CS(=O)(=O)CCCNCCO 34a_100000742409_100000211926 [0,2,0,0,0,0|2,0,0]=4 10910 B10R0.22 CS(=O)(=O)CCCNCCO 34a_100016990907_100000754308 [0,2,0,0,0,0|2,0,0]=4 10911 B10R0.22 CS(=O)(=O)CCCOCCBr 34a_100000211926_100000754308 [0,2,0,0,0,0|2,0,0]=4 10912 B10R0.22 CS(=O)(=O)CCCOCCF 34a_100000689940_100011217306 [0,2,0,0,0,0|2,0,0]=4 10913 B10R0.22 CS(=O)(=O)CCCOCCF 7a_100000689940_100011217306 [0,2,0,0,0,0|2,0,0]=4 10914 B10R0.22 CS(=O)(=O)CCCOCCN 34a_100000210304_100000754308 [0,2,0,0,0,0|2,0,0]=4 10915 B10R0.22 CS(=O)(=O)CCCOCCO 34a_100000689940_100000211926 [0,2,0,0,0,0|2,0,0]=4 10916 B10R0.22 CS(=O)(=O)CCCOCCO 7a_100000689940_100000211926 [0,2,0,0,0,0|2,0,0]=4 10917 B10R0.22 CS(=O)(=O)CCCSCCF 62a_100000754308_100011217306 [0,2,0,0,0,0|2,0,0]=4 10918 B10R0.22 CS(=O)(=O)CCCSCCF 62a_100011217306_100000754308 [0,2,0,0,0,0|2,0,0]=4 10919 B10R0.22 CS(=O)(=O)CCCSCCO 62a_100000211926_100000754308 [0,2,0,0,0,0|2,0,0]=4 10920 B10R0.22 CS(=O)(=O)CCCSCCO 62a_100000754308_100000211926 [0,2,0,0,0,0|2,0,0]=4 10921 B10R0.22 CS(=O)(=O)CCNCCCF 2230a_100000740961_100011934791 [0,2,0,0,0,0|2,0,0]=4 10922 B10R0.22 CS(=O)(=O)CCNCCCF 2230a_100015189416_100000731031 [0,2,0,0,0,0|2,0,0]=4 10923 B10R0.22 CS(=O)(=O)CCNCCCF 34a_100000740961_100011934791 [0,2,0,0,0,0|2,0,0]=4 10924 B10R0.22 CS(=O)(=O)CCNCCCF 34a_100015189416_100000731031 [0,2,0,0,0,0|2,0,0]=4 10925 B10R0.22 CS(=O)(=O)CCNCCCO 2230a_100000740961_100000230001 [0,2,0,0,0,0|2,0,0]=4 10926 B10R0.22 CS(=O)(=O)CCNCCCO 34a_100000740961_100000230001 [0,2,0,0,0,0|2,0,0]=4 10927 B10R0.22 CS(=O)(=O)CCOCCCBr 34a_100011217188_100000731031 [0,2,0,0,0,0|2,0,0]=4 10928 B10R0.22 CS(=O)(=O)CCOCCCCl 34a_100000230001_100000731031 [0,2,0,0,0,0|2,0,0]=4 10929 B10R0.22 CS(=O)(=O)CCOCCCF 34a_100000211924_100011934791 [0,2,0,0,0,0|2,0,0]=4 10930 B10R0.22 CS(=O)(=O)CCOCCCF 34a_100000759539_100000731031 [0,2,0,0,0,0|2,0,0]=4 10931 B10R0.22 CS(=O)(=O)CCOCCCF 7a_100000211924_100011934791 [0,2,0,0,0,0|2,0,0]=4 10932 B10R0.22 CS(=O)(=O)CCOCCCN 34a_100000182051_100000731031 [0,2,0,0,0,0|2,0,0]=4 10933 B10R0.22 CS(=O)(=O)CCOCCCO 34a_100000211924_100000230001 [0,2,0,0,0,0|2,0,0]=4 10934 B10R0.22 CS(=O)(=O)CCOCCCO 7a_100000211924_100011215043 [0,2,0,0,0,0|2,0,0]=4 10935 B10R0.22 CS(=O)(=O)CCSCCCF 62a_100000731031_100011934791 [0,2,0,0,0,0|2,0,0]=4 10936 B10R0.22 CS(=O)(=O)CCSCCCF 62a_100011934791_100000230027 [0,2,0,0,0,0|2,0,0]=4 10937 B10R0.22 CS(=O)(=O)CCSCCCO 62a_100000731031_100011215043 [0,2,0,0,0,0|2,0,0]=4 10938 B10R0.22 CS(=O)(=O)CCSCCCO 62a_100011215043_100000230027 [0,2,0,0,0,0|2,0,0]=4 10939 B10R0.22 CS(=O)(=O)NCCCCCO 40a_100000762737_100000738038 [0,2,0,0,0,0|2,0,0]=4 10940 B10R0.22 CSCCCCCC(C)(C)O 62a_100010402123_200000210301 [0,2,0,0,0,0|0,0,2]=4 10941 B10R0.22 CSCCCCCC(C)(C)O 62a_200000210301_100010402123 [0,2,0,0,0,0|0,0,2]=4 10942 B10R0.22 CSCCCCC[N+](C)(C)C 62a_100009813293_200000210301 [0,2,0,0,0,0|2,0,0]=4 10943 B10R0.22 CSCCCCC[N+](C)(C)C 62a_200000210301_100009813293 [0,2,0,0,0,0|2,0,0]=4 10944 B10R0.22 CSCCNCCS(=O)(=O)C 2230a_100000740961_100000751147 [0,2,0,0,0,0|2,0,0]=4 10945 B10R0.22 CSCCNCCS(=O)(=O)C 2230a_100020590264_100000731031 [0,2,0,0,0,0|2,0,0]=4 10946 B10R0.22 CSCCNCCS(=O)(=O)C 34a_100000740961_100000212216 [0,2,0,0,0,0|2,0,0]=4 10947 B10R0.22 CSCCOCCS(=O)(=O)C 34a_100000211924_100000212216 [0,2,0,0,0,0|2,0,0]=4 10948 B10R0.22 CSCCOCCS(=O)(=O)C 34a_100000230434_100000731031 [0,2,0,0,0,0|2,0,0]=4 10949 B10R0.22 CSCCOCCS(=O)(=O)C 7a_100000211924_100000212216 [0,2,0,0,0,0|2,0,0]=4 10950 B10R0.22 CSCCOCCS(=O)(=O)C 7a_100000230434_100000230027 [0,2,0,0,0,0|2,0,0]=4 10951 B10R0.22 CSCCSCCS(=O)(=O)C 62a_100000212216_100000230027 [0,2,0,0,0,0|2,0,0]=4 10952 B10R0.22 CSCCSCCS(=O)(=O)C 62a_100000731031_100000751147 [0,2,0,0,0,0|2,0,0]=4 10953 B10R0.22 CSCNCCCS(=O)(=O)C 2230a_100000742409_100011218213 [0,2,0,0,0,0|2,0,0]=4 10954 B10R0.22 CSCNCCCS(=O)(=O)C 34a_100000742409_100011218213 [0,2,0,0,0,0|2,0,0]=4 10955 B10R0.22 CSCOCCCS(=O)(=O)C 34a_100000689940_100011218213 [0,2,0,0,0,0|2,0,0]=4 10956 B10R0.22 CSCSCCCS(=O)(=O)C 62a_100000754308_100011218213 [0,2,0,0,0,0|2,0,0]=4 10957 B10R0.22 CSCSCCCS(=O)(=O)C 62a_100011218213_100000754308 [0,2,0,0,0,0|2,0,0]=4 10958 B10R0.22 C[N+](C)(C)CCCCCS[13CH3] 62a_100009813293_200025704644 [0,2,0,0,0,0|2,0,0]=4 10959 B10R0.22 C[N+](C)(C)CCCCCS[13CH3] 62a_200025704644_100009813293 [0,2,0,0,0,0|2,0,0]=4 10960 B10R0.55 C#CC(=O)CCCCC(=O)C 1458a_100000211873_100000735457 [0,2,0,0,0,0|0,0,2]=4 10961 B10R0.55 C#CC(=O)CCCCC(C)C 1458a_100000211873_100011216152 [0,2,0,0,0,0|0,0,1]=3 10962 B10R0.55 C#CC(C)NCCCC(=O)C 34a_100000707721_100000685027 [0,2,0,0,0,0|1,0,0]=3 10963 B10R0.55 C#CC(C)NCCCC(=O)N 34a_100000707721_100102525003 [0,2,0,0,0,0|2,0,0]=4 10964 B10R0.55 C#CC(C)NCCCC(=O)N 34a_100000739312_200000035995 [0,2,0,0,0,0|2,0,0]=4 10965 B10R0.55 C#CC(C)NCCNC(=O)C 2230a_100000707721_100000189650 [0,2,0,0,0,0|2,0,0]=4 10966 B10R0.55 C#CC(C)NCCOC(=O)C 34a_100000707721_100009814007 [0,2,0,0,0,0|2,0,0]=4 10967 B10R0.55 C#CC(C)OCCCC(=O)C 34a_100000759063_200000035995 [0,2,0,0,0,0|1,0,0]=3 10968 B10R0.55 C#CC(C)OCCNC(=O)C 34a_100000158858_200000035995 [0,2,0,0,0,0|2,0,0]=4 10969 B10R0.55 C#CC(C)SCCCC(=O)C 62a_200000035995_100011215641 [0,2,0,0,0,0|1,0,0]=3 10970 B10R0.55 C#CC(C)SCCCC(=O)N 62a_200000035995_100102525003 [0,2,0,0,0,0|2,0,0]=4 10971 B10R0.55 C#CC(C)SCCNC(=O)C 62a_200000035995_100000189650 [0,2,0,0,0,0|2,0,0]=4 10972 B10R0.55 C#CC(C)SCCOC(=O)C 62a_200000035995_100009814007 [0,2,0,0,0,0|2,0,0]=4 10973 B10R0.55 C#C[C@@H](C)OCCCC(=O)C 34a_100009815206_100000685027 [0,2,0,0,0,0|1,0,0]=3 10974 B10R0.55 C#C[C@@H](C)OCCCC(=O)C 7a_100009815206_100011215641 [0,2,0,0,0,0|1,0,0]=3 10975 B10R0.55 C#C[C@@H](C)OCCCC(=O)N 34a_100009815206_100102525003 [0,2,0,0,0,0|2,0,0]=4 10976 B10R0.55 C#C[C@@H](C)OCCCC(=O)N 7a_100009815206_100102525003 [0,2,0,0,0,0|2,0,0]=4 10977 B10R0.55 C#C[C@@H](C)OCCNC(=O)C 7a_100009815206_100000189650 [0,2,0,0,0,0|2,0,0]=4 10978 B10R0.55 C#C[C@@H](C)OCCOC(=O)C 34a_100009815206_100009814007 [0,2,0,0,0,0|2,0,0]=4 10979 B10R0.55 C#C[C@@H](C)OCCOC(=O)C 7a_100009815206_100009814007 [0,2,0,0,0,0|2,0,0]=4 10980 B10R0.55 C=C(Br)CCOCC(C)CC 34a_100009813270_100000748023 [0,2,0,0,0,0|1,0,1]=4 10981 B10R0.55 C=C(Br)CCOCC(O)CC 34a_100009813270_100011218378 [0,2,0,0,0,0|1,0,1]=4 10982 B10R0.55 C=C(Br)CCOC[C@@H](C)CC 34a_100009813270_100009816398 [0,2,0,0,0,0|1,0,1]=4 10983 B10R0.55 C=C(C)CCNCC(=O)NC 2230a_100000693194_100000730704 [0,2,0,0,0,0|1,0,1]=4 10984 B10R0.55 C=C(C)CCNCC(C)CC 2230a_100020588543_100000730704 [0,2,0,0,0,0|1,0,0]=3 10985 B10R0.55 C=C(C)CCNCC(C)CO 34a_100000744482_100000730704 [0,2,0,0,0,0|2,0,0]=4 10986 B10R0.55 C=C(C)CCNCC(O)CC 2230a_100011218483_100000730704 [0,2,0,0,0,0|1,0,0]=3 10987 B10R0.55 C=C(C)CCNC[C@@H](C)OC 2230a_100020591295_100000730704 [0,2,0,0,0,0|2,0,0]=4 10988 B10R0.55 C=C(C)CCNC[C@@H](F)CO 34a_100015665980_100000730704 [0,2,0,0,0,0|2,0,0]=4 10989 B10R0.55 C=C(C)CCNC[C@H](O)CO 2230a_100020644852_100000730704 [0,2,0,0,0,0|2,0,0]=4 10990 B10R0.55 C=C(C)CCOCC(=O)CC 34a_100000725409_100000730704 [0,2,0,0,0,0|1,0,1]=4 10991 B10R0.55 C=C(C)CCOCC(=O)NC 34a_100000750040_100000730704 [0,2,0,0,0,0|1,0,1]=4 10992 B10R0.55 C=C(C)CCOCC(=O)NC 34a_100000764851_100000183359 [0,2,0,0,0,0|1,0,1]=4 10993 B10R0.55 C=C(C)CCOCC(=O)OC 34a_100000764851_100000747449 [0,2,0,0,0,0|1,0,1]=4 10994 B10R0.55 C=C(C)CCOCC(C)CC 34a_100000764851_100000748023 [0,2,0,0,0,0|1,0,0]=3 10995 B10R0.55 C=C(C)CCOCC(C)CN 34a_100000744482_100000730704 [0,2,0,0,0,0|2,0,0]=4 10996 B10R0.55 C=C(C)CCOCC(C)OC 34a_100000690652_100000730704 [0,2,0,0,0,0|2,0,0]=4 10997 B10R0.55 C=C(C)CCOCC(Cl)CCl 34a_100000033668_100000730704 [0,2,0,0,0,0|2,0,0]=4 10998 B10R0.55 C=C(C)CCOCC(O)CC 34a_100000764851_100011218378 [0,2,0,0,0,0|1,0,0]=3 10999 B10R0.55 C=C(C)CCOCC(O)CO 34a_100000764851_100011219619 [0,2,0,0,0,0|2,0,0]=4 11000 B10R0.55 C=C(C)CCOC[C@@H](C)CC 34a_100000764851_100009816398 [0,2,0,0,0,0|1,0,0]=3 11001 B10R0.55 C=C(C)CCOC[C@@H](C)CC 7a_100009816381_100000730704 [0,2,0,0,0,0|1,0,0]=3 11002 B10R0.55 C=C(C)CCOC[C@@H](C)CO 34a_100000764851_100000059175 [0,2,0,0,0,0|2,0,0]=4 11003 B10R0.55 C=C(C)CCOC[C@@H](O)CF 34a_100000764851_100015614560 [0,2,0,0,0,0|2,0,0]=4 11004 B10R0.55 C=C(C)CCOC[C@@H](O)CO 34a_100000764851_100009815848 [0,2,0,0,0,0|2,0,0]=4 11005 B10R0.55 C=C(C)CCOC[C@H](F)CN 34a_100015665980_100000730704 [0,2,0,0,0,0|2,0,0]=4 11006 B10R0.55 C=C(C)CCSCC(=O)CC 62a_100000730704_100000747405 [0,2,0,0,0,0|1,0,1]=4 11007 B10R0.55 C=C(C)CCSCC(=O)CC 62a_100000747405_100000730704 [0,2,0,0,0,0|1,0,1]=4 11008 B10R0.55 C=C(C)CCSCC(=O)NC 62a_100000183359_100000730704 [0,2,0,0,0,0|1,0,1]=4 11009 B10R0.55 C=C(C)CCSCC(=O)NC 62a_100000730704_100000183359 [0,2,0,0,0,0|1,0,1]=4 11010 B10R0.55 C=C(C)CCSCC(=O)OC 62a_100000730704_100000747449 [0,2,0,0,0,0|1,0,1]=4 11011 B10R0.55 C=C(C)CCSCC(=O)OC 62a_100000747449_100000730704 [0,2,0,0,0,0|1,0,1]=4 11012 B10R0.55 C=C(C)CCSCC(C)CC 62a_100000730704_100000748023 [0,2,0,0,0,0|1,0,0]=3 11013 B10R0.55 C=C(C)CCSCC(C)CC 62a_100000748023_100000730704 [0,2,0,0,0,0|1,0,0]=3 11014 B10R0.55 C=C(C)CCSCC(O)CC 62a_100000730704_100011218378 [0,2,0,0,0,0|1,0,0]=3 11015 B10R0.55 C=C(C)CCSCC(O)CC 62a_100011218378_100000730704 [0,2,0,0,0,0|1,0,0]=3 11016 B10R0.55 C=C(C)CCSCC(O)CO 62a_100000730704_100011219619 [0,2,0,0,0,0|2,0,0]=4 11017 B10R0.55 C=C(C)CCSCC(O)CO 62a_100011219619_100000730704 [0,2,0,0,0,0|2,0,0]=4 11018 B10R0.55 C=C(C)CCSC[C@@H](C)CC 62a_100000730704_100009816398 [0,2,0,0,0,0|1,0,0]=3 11019 B10R0.55 C=C(C)CCSC[C@@H](C)CC 62a_100009816398_100000730704 [0,2,0,0,0,0|1,0,0]=3 11020 B10R0.55 C=C(C)CCSC[C@@H](C)CO 62a_100000059175_100000730704 [0,2,0,0,0,0|2,0,0]=4 11021 B10R0.55 C=C(C)CCSC[C@@H](C)CO 62a_100000730704_100000059175 [0,2,0,0,0,0|2,0,0]=4 11022 B10R0.55 C=C(C)CCSC[C@@H](O)CF 62a_100000730704_100015614560 [0,2,0,0,0,0|2,0,0]=4 11023 B10R0.55 C=C(C)CCSC[C@@H](O)CF 62a_100015614560_100000730704 [0,2,0,0,0,0|2,0,0]=4 11024 B10R0.55 C=C(C)CCSC[C@@H](O)CO 62a_100000730704_100009815848 [0,2,0,0,0,0|2,0,0]=4 11025 B10R0.55 C=C(C)CCSC[C@@H](O)CO 62a_100009815848_100000730704 [0,2,0,0,0,0|2,0,0]=4 11026 B10R0.55 C=C(C)CNCCC(=O)NC 2230a_100000738227_100000748629 [0,2,0,0,0,0|1,0,1]=4 11027 B10R0.55 C=C(C)CNCCC(=O)NC 34a_100000738227_100000748629 [0,2,0,0,0,0|1,0,1]=4 11028 B10R0.55 C=C(C)CNCCC(C)CC 2230a_100020591266_100000748629 [0,2,0,0,0,0|1,0,0]=3 11029 B10R0.55 C=C(C)CNCCC(C)CO 2230a_106354213184_100000748629 [0,2,0,0,0,0|2,0,0]=4 11030 B10R0.55 C=C(C)CNCCC(C)CO 34a_106354213184_100000748629 [0,2,0,0,0,0|2,0,0]=4 11031 B10R0.55 C=C(C)COCCC(=O)NC 34a_100000210245_100012179268 [0,2,0,0,0,0|1,0,1]=4 11032 B10R0.55 C=C(C)COCCC(=O)NC 34a_100000754576_100000748629 [0,2,0,0,0,0|1,0,1]=4 11033 B10R0.55 C=C(C)COCCC(=O)OC 34a_100000210245_100000742370 [0,2,0,0,0,0|1,0,1]=4 11034 B10R0.55 C=C(C)COCCC(C)CC 7a_100011215188_100000748629 [0,2,0,0,0,0|1,0,0]=3 11035 B10R0.55 C=C(C)COCCC(C)OC 7a_100000764861_100000748629 [0,2,0,0,0,0|2,0,0]=4 11036 B10R0.55 C=C(C)CSCCC(=O)NC 62a_100000737683_100000211660 [0,2,0,0,0,0|1,0,1]=4 11037 B10R0.55 C=C(C)CSCCC(=O)NC 62a_100000748629_100000737683 [0,2,0,0,0,0|1,0,1]=4 11038 B10R0.55 C=C(C)CSCCC(=O)OC 62a_100000204255_100000211660 [0,2,0,0,0,0|1,0,1]=4 11039 B10R0.55 C=C(C)CSCCC(=O)OC 62a_100000748629_100000204255 [0,2,0,0,0,0|1,0,1]=4 11040 B10R0.55 C=C(F)CNCCC(C)CC 2230a_100020591266_100009893438 [0,2,0,0,0,0|1,0,1]=4 11041 B10R0.55 C=C(F)COCCC(C)CC 7a_100011215188_100000042424 [0,2,0,0,0,0|1,0,1]=4 11042 B10R0.55 C=CC(=O)CCCCC(=O)C 1458a_100000185746_100000735457 [0,2,0,0,0,0|0,0,2]=4 11043 B10R0.55 C=CC(=O)CCCCC(C)C 1458a_100000185746_100011216152 [0,2,0,0,0,0|0,0,1]=3 11044 B10R0.55 C=CC(=O)NCCCC(C)C 1626a_200000737386_100000185746 [0,2,0,0,0,0|1,0,1]=4 11045 B10R0.55 C=CC(=O)NCCCC(C)C 240690a_200000737386_200121576911 [0,2,0,0,0,0|1,0,1]=4 11046 B10R0.55 C=CC(C)COCCC(=C)C 34a_100011215527_100000730704 [0,2,0,0,0,0|2,0,0]=4 11047 B10R0.55 C=CC(C)COCCC(=C)C 7a_100011215527_100000730704 [0,2,0,0,0,0|2,0,0]=4 11048 B10R0.55 C=CC(C)COCCC(=O)C 7a_100011215527_100000053229 [0,2,0,0,0,0|1,0,0]=3 11049 B10R0.55 C=CC(C)COCCC(=O)N 34a_100011215527_100000731001 [0,2,0,0,0,0|2,0,0]=4 11050 B10R0.55 C=CC(C)COCCC(=O)N 7a_100011215527_100000744528 [0,2,0,0,0,0|2,0,0]=4 11051 B10R0.55 C=CC(C)COCOC(=O)C 34a_100011215527_100009813279 [0,2,0,0,0,0|2,0,0]=4 11052 B10R0.55 C=CC(C)OCCCC(=O)C 34a_100000695699_100000685027 [0,2,0,0,0,0|1,0,0]=3 11053 B10R0.55 C=CC(C)OCCCC(=O)N 34a_100000695699_100102525003 [0,2,0,0,0,0|2,0,0]=4 11054 B10R0.55 C=CC(C)OCCOC(=O)C 34a_100000695699_100009814007 [0,2,0,0,0,0|2,0,0]=4 11055 B10R0.55 C=CC(C)SCCCC(=O)C 62a_100011215867_100011215641 [0,2,0,0,0,0|1,0,0]=3 11056 B10R0.55 C=CC(C)SCCCC(=O)N 62a_100011215867_100102525003 [0,2,0,0,0,0|2,0,0]=4 11057 B10R0.55 C=CC(C)SCCNC(=O)C 62a_100011215867_100000189650 [0,2,0,0,0,0|2,0,0]=4 11058 B10R0.55 C=CC(C)SCCOC(=O)C 62a_100011215867_100009814007 [0,2,0,0,0,0|2,0,0]=4 11059 B10R0.55 C=CC(O)COCCC(=O)C 34a_100000759926_100000730141 [0,2,0,0,0,0|0,0,2]=4 11060 B10R0.55 C=CC(O)COCCC(=O)C 7a_100000759926_100000730141 [0,2,0,0,0,0|0,0,2]=4 11061 B10R0.55 C=CC(O)CSCCC(=O)C 62a_100000053229_100000730141 [0,2,0,0,0,0|0,0,2]=4 11062 B10R0.55 C=CC(O)CSCCC(=O)C 62a_100000730141_100000053229 [0,2,0,0,0,0|0,0,2]=4 11063 B10R0.55 CC(=O)CCCCC(=O)CO 1458a_100000210174_100000735457 [0,2,0,0,0,0|0,0,1]=3 11064 B10R0.55 CC(=O)CCCOC(C)C#N 34a_100011218135_100000685027 [0,2,0,0,0,0|1,0,0]=3 11065 B10R0.55 CC(=O)CCCOC(C)C#N 7a_100000759063_100000703298 [0,2,0,0,0,0|1,0,0]=3 11066 B10R0.55 CC(=O)CCCOC(C)CF 34a_100016041109_100000685027 [0,2,0,0,0,0|1,0,0]=3 11067 B10R0.55 CC(=O)CCCOC(C)CF 7a_100016041109_100011215641 [0,2,0,0,0,0|1,0,0]=3 11068 B10R0.55 CC(=O)CCCOC(C)CN 34a_100000210904_100000685027 [0,2,0,0,0,0|1,0,0]=3 11069 B10R0.55 CC(=O)CCCOC(C)CO 34a_100000759063_100012180447 [0,2,0,0,0,0|1,0,0]=3 11070 B10R0.55 CC(=O)CCCOC(C)CO 7a_100000759063_100012180447 [0,2,0,0,0,0|1,0,0]=3 11071 B10R0.55 CC(=O)CCCSC(C)C#N 62a_100000703298_100011215641 [0,2,0,0,0,0|1,0,0]=3 11072 B10R0.55 CC(=O)CCCSC(C)C#N 62a_100011215641_100000703298 [0,2,0,0,0,0|1,0,0]=3 11073 B10R0.55 CC(=O)CCCSC(C)CO 62a_100012180447_100011215641 [0,2,0,0,0,0|1,0,0]=3 11074 B10R0.55 CC(=O)CCCSC(F)C#N 62a_100011215641_200000117898 [0,2,0,0,0,0|1,0,1]=4 11075 B10R0.55 CC(=O)CCCSC(F)C#N 62a_200000117898_100011215641 [0,2,0,0,0,0|1,0,1]=4 11076 B10R0.55 CC(=O)CCCS[C@H](C)CO 62a_100011215641_100016084084 [0,2,0,0,0,0|1,0,0]=3 11077 B10R0.55 CC(=O)CCCS[C@H](C)CO 62a_100016084084_100011215641 [0,2,0,0,0,0|1,0,0]=3 11078 B10R0.55 CC(=O)CCOCC(O)CO 34a_100000759926_100011219619 [0,2,0,0,0,0|1,0,0]=3 11079 B10R0.55 CC(=O)CCOCC(O)CO 7a_100000759926_100011219619 [0,2,0,0,0,0|1,0,0]=3 11080 B10R0.55 CC(=O)CCOC[C@@H](C)CO 34a_100000759926_100000059175 [0,2,0,0,0,0|1,0,0]=3 11081 B10R0.55 CC(=O)CCOC[C@@H](C)CO 7a_100000759926_100000059175 [0,2,0,0,0,0|1,0,0]=3 11082 B10R0.55 CC(=O)CCOC[C@@H](O)CF 34a_100000759926_100015614560 [0,2,0,0,0,0|1,0,0]=3 11083 B10R0.55 CC(=O)CCOC[C@@H](O)CF 7a_100000759926_100015614560 [0,2,0,0,0,0|1,0,0]=3 11084 B10R0.55 CC(=O)CCOC[C@@H](O)CO 34a_100000759926_100009815848 [0,2,0,0,0,0|1,0,0]=3 11085 B10R0.55 CC(=O)CCOC[C@@H](O)CO 7a_100000759926_100009815848 [0,2,0,0,0,0|1,0,0]=3 11086 B10R0.55 CC(=O)CCSCC(O)CO 62a_100000053229_100011219619 [0,2,0,0,0,0|1,0,0]=3 11087 B10R0.55 CC(=O)CCSCC(O)CO 62a_100011219619_100000053229 [0,2,0,0,0,0|1,0,0]=3 11088 B10R0.55 CC(=O)CCSC[C@@H](C)CO 62a_100000053229_100000059175 [0,2,0,0,0,0|1,0,0]=3 11089 B10R0.55 CC(=O)CCSC[C@@H](C)CO 62a_100000059175_100000053229 [0,2,0,0,0,0|1,0,0]=3 11090 B10R0.55 CC(=O)CCSC[C@@H](O)CF 62a_100000053229_100015614560 [0,2,0,0,0,0|1,0,0]=3 11091 B10R0.55 CC(=O)CCSC[C@@H](O)CF 62a_100015614560_100000053229 [0,2,0,0,0,0|1,0,0]=3 11092 B10R0.55 CC(=O)CCSC[C@@H](O)CO 62a_100000053229_100009815848 [0,2,0,0,0,0|1,0,0]=3 11093 B10R0.55 CC(=O)CCSC[C@@H](O)CO 62a_100009815848_100000053229 [0,2,0,0,0,0|1,0,0]=3 11094 B10R0.55 CC(=O)NCCCC(=O)CF 1458a_100000194741_100015361967 [0,2,0,0,0,0|1,0,1]=4 11095 B10R0.55 CC(=O)NCCNC(C)C#N 2230a_100000209853_100000184139 [0,2,0,0,0,0|2,0,0]=4 11096 B10R0.55 CC(=O)NCCNC(C)C#N 2230a_100000737613_100000189650 [0,2,0,0,0,0|2,0,0]=4 11097 B10R0.55 CC(=O)NCCNC(C)CO 2230a_100000209853_100012180447 [0,2,0,0,0,0|2,0,0]=4 11098 B10R0.55 CC(=O)NCCN[C@H](C)CO 2230a_100000737577_100000189650 [0,2,0,0,0,0|2,0,0]=4 11099 B10R0.55 CC(=O)NCCOC(C)CF 7a_100016041109_100000189650 [0,2,0,0,0,0|2,0,0]=4 11100 B10R0.55 CC(=O)NCCOC(C)CO 34a_100000158858_100012180447 [0,2,0,0,0,0|2,0,0]=4 11101 B10R0.55 CC(=O)NCCSC(C)C#N 62a_100000189650_100000703298 [0,2,0,0,0,0|2,0,0]=4 11102 B10R0.55 CC(=O)NCCSC(C)C#N 62a_100000703298_100000189650 [0,2,0,0,0,0|2,0,0]=4 11103 B10R0.55 CC(=O)NCCSC(C)CO 62a_100012180447_100000189650 [0,2,0,0,0,0|2,0,0]=4 11104 B10R0.55 CC(=O)NCCS[C@H](C)CO 62a_100000189650_100016084084 [0,2,0,0,0,0|2,0,0]=4 11105 B10R0.55 CC(=O)NCCS[C@H](C)CO 62a_100016084084_100000189650 [0,2,0,0,0,0|2,0,0]=4 11106 B10R0.55 CC(=O)OCCCC(=O)CO 1458a_100000210174_100000042594 [0,2,0,0,0,0|1,0,1]=4 11107 B10R0.55 CC(=O)OCCOC(C)C#N 34a_100011218135_100009814007 [0,2,0,0,0,0|2,0,0]=4 11108 B10R0.55 CC(=O)OCCOC(C)CF 34a_100016041109_100009814007 [0,2,0,0,0,0|2,0,0]=4 11109 B10R0.55 CC(=O)OCCOC(C)CF 7a_100016041109_100009814007 [0,2,0,0,0,0|2,0,0]=4 11110 B10R0.55 CC(=O)OCCOC(C)CN 34a_100000210904_100009814007 [0,2,0,0,0,0|2,0,0]=4 11111 B10R0.55 CC(=O)OCCSC(C)C#N 62a_100000703298_100009814007 [0,2,0,0,0,0|2,0,0]=4 11112 B10R0.55 CC(=O)OCCSC(C)C#N 62a_100009814007_100000703298 [0,2,0,0,0,0|2,0,0]=4 11113 B10R0.55 CC(=O)OCCSC(C)CO 62a_100012180447_100009814007 [0,2,0,0,0,0|2,0,0]=4 11114 B10R0.55 CC(=O)OCCS[C@H](C)CO 62a_100009814007_100016084084 [0,2,0,0,0,0|2,0,0]=4 11115 B10R0.55 CC(=O)OCCS[C@H](C)CO 62a_100016084084_100009814007 [0,2,0,0,0,0|2,0,0]=4 11116 B10R0.55 CC(=O)OCNCC(C)CO 34a_100000744482_100009813279 [0,2,0,0,0,0|2,0,0]=4 11117 B10R0.55 CC(=O)OCNC[C@@H](F)CO 34a_100015665980_100009813279 [0,2,0,0,0,0|2,0,0]=4 11118 B10R0.55 CC(=O)OCOCC(C)CN 34a_100000744482_100009813279 [0,2,0,0,0,0|2,0,0]=4 11119 B10R0.55 CC(=O)OCOCC(Cl)CCl 34a_100000033668_100009813279 [0,2,0,0,0,0|2,0,0]=4 11120 B10R0.55 CC(=O)OCOC[C@H](F)CN 34a_100015665980_100009813279 [0,2,0,0,0,0|2,0,0]=4 11121 B10R0.55 CC(=O)OCSCC(O)CO 62a_100000076356_100011219619 [0,2,0,0,0,0|2,0,0]=4 11122 B10R0.55 CC(=O)OCSCC(O)CO 62a_100011219619_100000076356 [0,2,0,0,0,0|2,0,0]=4 11123 B10R0.55 CC(=O)OCSC[C@@H](C)CO 62a_100000059175_100000076356 [0,2,0,0,0,0|2,0,0]=4 11124 B10R0.55 CC(=O)OCSC[C@@H](C)CO 62a_100000076356_100000059175 [0,2,0,0,0,0|2,0,0]=4 11125 B10R0.55 CC(=O)OCSC[C@@H](O)CF 62a_100000076356_100015614560 [0,2,0,0,0,0|2,0,0]=4 11126 B10R0.55 CC(=O)OCSC[C@@H](O)CF 62a_100015614560_100000076356 [0,2,0,0,0,0|2,0,0]=4 11127 B10R0.55 CC(=O)OCSC[C@@H](O)CO 62a_100000076356_100009815848 [0,2,0,0,0,0|2,0,0]=4 11128 B10R0.55 CC(=O)OCSC[C@@H](O)CO 62a_100009815848_100000076356 [0,2,0,0,0,0|2,0,0]=4 11129 B10R0.55 CC(=O)SCCCC(=O)CO 1458a_100000210174_100000038929 [0,2,0,0,0,0|1,0,1]=4 11130 B10R0.55 CC(=S)OCCCC(=O)CO 1458a_100000210174_200135323944 [0,2,0,0,0,0|1,0,1]=4 11131 B10R0.55 CC(C#N)NCCCS(=O)C 2230a_200000753449_100000184139 [0,2,0,0,0,0|2,0,0]=4 11132 B10R0.55 CC(C#N)OCCCC(=O)N 34a_100011218135_100102525003 [0,2,0,0,0,0|2,0,0]=4 11133 B10R0.55 CC(C#N)SCCCC(=O)N 62a_100000703298_100102525003 [0,2,0,0,0,0|2,0,0]=4 11134 B10R0.55 CC(C#N)SCCCC(=O)N 62a_100102525003_100000703298 [0,2,0,0,0,0|2,0,0]=4 11135 B10R0.55 CC(C)CCCCC(=O)CF 1458a_100011933920_100015361967 [0,2,0,0,0,0|0,0,0]=2 11136 B10R0.55 CC(C)CCCCC(=O)CO 1458a_100000210174_100011216152 [0,2,0,0,0,0|0,0,0]=2 11137 B10R0.55 CC(C)CCCNC(=O)CO 240690a_200000737386_100000210174 [0,2,0,0,0,0|1,0,0]=3 11138 B10R0.55 CC(C)CCCNC(=O)CO 527a_200000737386_100000210174 [0,2,0,0,0,0|1,0,0]=3 11139 B10R0.55 CC(C)OCCCC(=O)NN 34a_100000211488_100000210206 [0,2,0,0,0,0|2,0,0]=4 11140 B10R0.55 CC(C)OCCNC(=O)CO 240690a_100000701111_100000210174 [0,2,0,0,0,0|2,0,0]=4 11141 B10R0.55 CC(C)OCCNC(=O)CO 527a_100000701111_100000210174 [0,2,0,0,0,0|2,0,0]=4 11142 B10R0.55 CC(C)SCCNC(=O)CO 240690a_100000731138_100000210174 [0,2,0,0,0,0|2,0,0]=4 11143 B10R0.55 CC(C)SCCNC(=O)CO 527a_100000731138_100000210174 [0,2,0,0,0,0|2,0,0]=4 11144 B10R0.55 CC(CF)OCCCC(=O)N 34a_100016041109_100102525003 [0,2,0,0,0,0|2,0,0]=4 11145 B10R0.55 CC(CF)OCCCC(=O)N 7a_100016041109_100102525003 [0,2,0,0,0,0|2,0,0]=4 11146 B10R0.55 CC(CN)COCCC(=O)N 34a_100000744482_100000731001 [0,2,0,0,0,0|2,0,0]=4 11147 B10R0.55 CC(CN)OCCCC(=O)N 34a_100000210904_100102525003 [0,2,0,0,0,0|2,0,0]=4 11148 B10R0.55 CC(CO)CCNCC(=O)N 2230a_106354213184_100000747473 [0,2,0,0,0,0|2,0,0]=4 11149 B10R0.55 CC(CO)CCNCC(=O)N 34a_106354213184_100000187820 [0,2,0,0,0,0|2,0,0]=4 11150 B10R0.55 CC(CO)CCNCC(=O)[O-] 34a_106354213184_100020667443 [0,2,0,0,0,0|2,0,0]=4 11151 B10R0.55 CC(CO)CNCCC(=O)N 34a_100000744482_100000731001 [0,2,0,0,0,0|2,0,0]=4 11152 B10R0.55 CC(CO)NCCCC(=O)N 34a_100000739312_100012180447 [0,2,0,0,0,0|2,0,0]=4 11153 B10R0.55 CC(CO)NCCCS(=O)C 2230a_200000753449_100012180447 [0,2,0,0,0,0|2,0,0]=4 11154 B10R0.55 CC(CO)SCCCC(=O)N 62a_100012180447_100102525003 [0,2,0,0,0,0|2,0,0]=4 11155 B10R0.55 CCC(=O)CCCCB(O)O 1458a_100000210414_200009817182 [0,2,0,0,0,0|2,0,0]=4 11156 B10R0.55 CCC(=O)CCCCC(=O)C 1458a_100000210414_100000735457 [0,2,0,0,0,0|0,0,0]=2 11157 B10R0.55 CCC(=O)CCCCC(C)C 1458a_100000210414_100011216152 [0,2,0,0,0,0|0,0,0]=2 11158 B10R0.55 CCC(=O)CCCCC(C)C 1458a_100011933920_100000210202 [0,2,0,0,0,0|0,0,0]=2 11159 B10R0.55 CCC(=O)CCCNC(=O)C 1458a_100000194741_100000210202 [0,2,0,0,0,0|0,0,1]=3 11160 B10R0.55 CCC(=O)CCCOC(=O)C 1458a_100000210414_100000042594 [0,2,0,0,0,0|0,0,1]=3 11161 B10R0.55 CCC(=O)CCCOC(=S)C 1458a_100000210414_200135323944 [0,2,0,0,0,0|0,1,1]=4 11162 B10R0.55 CCC(=O)CCCSC(=O)C 1458a_100000210414_100000038929 [0,2,0,0,0,0|0,0,1]=3 11163 B10R0.55 CCC(=O)CCOCC(=O)N 1458a_100000210414_100000076697 [0,2,0,0,0,0|1,0,1]=4 11164 B10R0.55 CCC(=O)CCOCC(F)F 1458a_100000210414_200012177212 [0,2,0,0,0,0|2,0,0]=4 11165 B10R0.55 CCC(=O)CCSCC(=O)N 1458a_100000148550_100000210202 [0,2,0,0,0,0|1,0,1]=4 11166 B10R0.55 CCC(=O)COCCC(=O)C 7a_100000759926_100000747405 [0,2,0,0,0,0|0,0,1]=3 11167 B10R0.55 CCC(=O)COCCC(=O)N 34a_100000725409_100000731001 [0,2,0,0,0,0|1,0,1]=4 11168 B10R0.55 CCC(=O)COCCC(=O)N 7a_100000757172_100000747405 [0,2,0,0,0,0|1,0,1]=4 11169 B10R0.55 CCC(=O)COCCC(C)C 34a_100000725409_100000210312 [0,2,0,0,0,0|1,0,0]=3 11170 B10R0.55 CCC(=O)COCCC(C)C 7a_100000210254_100000747405 [0,2,0,0,0,0|1,0,0]=3 11171 B10R0.55 CCC(=O)COCCC(C)O 34a_100000725409_100012276601 [0,2,0,0,0,0|1,0,0]=3 11172 B10R0.55 CCC(=O)COCOC(=O)C 34a_100000725409_100009813279 [0,2,0,0,0,0|1,0,1]=4 11173 B10R0.55 CCC(=O)COCOC(C)C 34a_100000725409_100000709892 [0,2,0,0,0,0|2,0,0]=4 11174 B10R0.55 CCC(=O)CSCCC(=O)C 62a_100000053229_100000747405 [0,2,0,0,0,0|0,0,1]=3 11175 B10R0.55 CCC(=O)CSCCC(=O)C 62a_100000747405_100000053229 [0,2,0,0,0,0|0,0,1]=3 11176 B10R0.55 CCC(=O)CSCCC(=O)N 62a_100000744528_100000747405 [0,2,0,0,0,0|1,0,1]=4 11177 B10R0.55 CCC(=O)CSCCC(=O)N 62a_100000747405_100000744528 [0,2,0,0,0,0|1,0,1]=4 11178 B10R0.55 CCC(=O)CSCCC(C)C 62a_100000210312_100000747405 [0,2,0,0,0,0|1,0,0]=3 11179 B10R0.55 CCC(=O)CSCCC(C)C 62a_100000747405_100000210312 [0,2,0,0,0,0|1,0,0]=3 11180 B10R0.55 CCC(=O)CSCCC(C)O 62a_100000747405_100012276601 [0,2,0,0,0,0|1,0,0]=3 11181 B10R0.55 CCC(=O)CSCCC(C)O 62a_100012276601_100000747405 [0,2,0,0,0,0|1,0,0]=3 11182 B10R0.55 CCC(=O)CSCCN(C)C 62a_100000747405_100000755713 [0,2,0,0,0,0|2,0,0]=4 11183 B10R0.55 CCC(=O)CSCOC(=O)C 62a_100000076356_100000747405 [0,2,0,0,0,0|1,0,1]=4 11184 B10R0.55 CCC(=O)CSCOC(=O)C 62a_100000747405_100000076356 [0,2,0,0,0,0|1,0,1]=4 11185 B10R0.55 CCC(=O)CSCOC(C)C 62a_100000709892_100000747405 [0,2,0,0,0,0|2,0,0]=4 11186 B10R0.55 CCC(=O)CSCOC(C)C 62a_100000747405_100000709892 [0,2,0,0,0,0|2,0,0]=4 11187 B10R0.55 CCC(=O)NCCCC(=O)N 240690a_100000739312_100000210414 [0,2,0,0,0,0|1,0,1]=4 11188 B10R0.55 CCC(=O)NCCCC(=O)N 527a_100000739312_100000210414 [0,2,0,0,0,0|1,0,1]=4 11189 B10R0.55 CCC(=O)NCCCC(C)C 11a_200000737386_100000210414 [0,2,0,0,0,0|1,0,0]=3 11190 B10R0.55 CCC(=O)NCCCC(C)C 1626a_200000737386_100000210414 [0,2,0,0,0,0|1,0,0]=3 11191 B10R0.55 CCC(=O)NCCCC(C)C 240690a_200000737386_100000210414 [0,2,0,0,0,0|1,0,0]=3 11192 B10R0.55 CCC(=O)NCCCC(C)C 527a_200000737386_100000210414 [0,2,0,0,0,0|1,0,0]=3 11193 B10R0.55 CCC(=O)NCCCN(C)C 240690a_102531767803_100000210414 [0,2,0,0,0,0|2,0,0]=4 11194 B10R0.55 CCC(=O)NCCCN(C)C 527a_102531767803_100000210414 [0,2,0,0,0,0|2,0,0]=4 11195 B10R0.55 CCC(=O)NCCCS(=O)C 11a_200000753449_100000210414 [0,2,0,0,0,0|1,0,1]=4 11196 B10R0.55 CCC(=O)NCCCS(=O)C 240690a_200000753449_100000210414 [0,2,0,0,0,0|1,0,1]=4 11197 B10R0.55 CCC(=O)NCCCS(=O)C 527a_200000753449_100000210414 [0,2,0,0,0,0|1,0,1]=4 11198 B10R0.55 CCC(=O)NCCNC(=O)C 11a_100132302217_100015343762 [0,2,0,0,0,0|1,0,1]=4 11199 B10R0.55 CCC(=O)NCCNC(=O)C 1626a_100132302217_100015343762 [0,2,0,0,0,0|1,0,1]=4 11200 B10R0.55 CCC(=O)NCCNC(=O)C 240690a_100000209853_100000210414 [0,2,0,0,0,0|1,0,1]=4 11201 B10R0.55 CCC(=O)NCCNC(=O)C 240690a_100132302217_100015343762 [0,2,0,0,0,0|1,0,1]=4 11202 B10R0.55 CCC(=O)NCCNC(=O)C 527a_100000209853_100000210414 [0,2,0,0,0,0|1,0,1]=4 11203 B10R0.55 CCC(=O)NCCNC(=O)C 527a_100132302217_100103153847 [0,2,0,0,0,0|1,0,1]=4 11204 B10R0.55 CCC(=O)NCCNC(C)C 34a_100132302217_100000210206 [0,2,0,0,0,0|2,0,0]=4 11205 B10R0.55 CCC(=O)NCCOC(=O)C 11a_100000724843_100000210414 [0,2,0,0,0,0|1,0,1]=4 11206 B10R0.55 CCC(=O)NCCOC(=O)C 240690a_100000724843_100000210414 [0,2,0,0,0,0|1,0,1]=4 11207 B10R0.55 CCC(=O)NCCOC(=O)C 527a_100000724843_100000210414 [0,2,0,0,0,0|1,0,1]=4 11208 B10R0.55 CCC(=O)NCCOC(C)C 11a_100000701111_100000210414 [0,2,0,0,0,0|2,0,0]=4 11209 B10R0.55 CCC(=O)NCCOC(C)C 1626a_100000701111_100000210414 [0,2,0,0,0,0|2,0,0]=4 11210 B10R0.55 CCC(=O)NCCOC(C)C 240690a_100000701111_100000210414 [0,2,0,0,0,0|2,0,0]=4 11211 B10R0.55 CCC(=O)NCCOC(C)C 34a_200000158885_100000210206 [0,2,0,0,0,0|2,0,0]=4 11212 B10R0.55 CCC(=O)NCCOC(C)C 527a_100000701111_100000210414 [0,2,0,0,0,0|2,0,0]=4 11213 B10R0.55 CCC(=O)NCCOC(C)C 7a_200000158885_100000210206 [0,2,0,0,0,0|2,0,0]=4 11214 B10R0.55 CCC(=O)NCCSC(=O)C 11a_100020647217_100000210414 [0,2,0,0,0,0|1,0,1]=4 11215 B10R0.55 CCC(=O)NCCSC(=O)C 240690a_100020647217_100000210414 [0,2,0,0,0,0|1,0,1]=4 11216 B10R0.55 CCC(=O)NCCSC(=O)C 527a_100020647217_100000210414 [0,2,0,0,0,0|1,0,1]=4 11217 B10R0.55 CCC(=O)NCCSC(C)C 11a_100000731138_100000210414 [0,2,0,0,0,0|2,0,0]=4 11218 B10R0.55 CCC(=O)NCCSC(C)C 1626a_100000731138_100000210414 [0,2,0,0,0,0|2,0,0]=4 11219 B10R0.55 CCC(=O)NCCSC(C)C 240690a_100000731138_100000210414 [0,2,0,0,0,0|2,0,0]=4 11220 B10R0.55 CCC(=O)NCCSC(C)C 527a_100000731138_100000210414 [0,2,0,0,0,0|2,0,0]=4 11221 B10R0.55 CCC(=O)OCCOC(C)C 7a_200000031056_100000210206 [0,2,0,0,0,0|2,0,0]=4 11222 B10R0.55 CCC(C)CCCOC(C)C 7a_100011216074_100000210206 [0,2,0,0,0,0|1,0,1]=4 11223 B10R0.55 CCC(C)CCNCC(=O)N 2230a_100020591266_100000747473 [0,2,0,0,0,0|1,0,0]=3 11224 B10R0.55 CCC(C)CCNCC(C)C 2230a_100020591266_100000210760 [0,2,0,0,0,0|1,0,1]=4 11225 B10R0.55 CCC(C)CCNCC(C)C 270004a_100020591266_100000210432 [0,2,0,0,0,0|1,0,1]=4 11226 B10R0.55 CCC(C)CCNCC(C)O 2230a_100020591266_100011218427 [0,2,0,0,0,0|0,0,2]=4 11227 B10R0.55 CCC(C)CCNC[C@@H](C)O 2230a_100020591266_100009817552 [0,2,0,0,0,0|0,0,2]=4 11228 B10R0.55 CCC(C)CCOCC(=O)N 7a_100011215188_100000187820 [0,2,0,0,0,0|1,0,0]=3 11229 B10R0.55 CCC(C)CCOCC(C)C 7a_100011215188_100000210760 [0,2,0,0,0,0|1,0,1]=4 11230 B10R0.55 CCC(C)CCOCC(C)O 7a_100011215188_100011218427 [0,2,0,0,0,0|0,0,2]=4 11231 B10R0.55 CCC(C)CCOC[C@@H](C)O 7a_100011215188_100009817552 [0,2,0,0,0,0|0,0,2]=4 11232 B10R0.55 CCC(C)CNCC=C(C)C 2230a_100020588543_100000761012 [0,2,0,0,0,0|1,0,1]=4 11233 B10R0.55 CCC(C)CNCC=C(C)C 270004a_100000718196_100000243153 [0,2,0,0,0,0|1,0,1]=4 11234 B10R0.55 CCC(C)CNCC=C(C)C 34a_100000718196_100000748023 [0,2,0,0,0,0|1,0,1]=4 11235 B10R0.55 CCC(C)CNCCC(=O)N 2230a_100020588543_100000744528 [0,2,0,0,0,0|1,0,0]=3 11236 B10R0.55 CCC(C)CNCCC(C)C 2230a_100020588543_100000210312 [0,2,0,0,0,0|1,0,1]=4 11237 B10R0.55 CCC(C)CNCCC(C)C 269862a_100020588543_100000185833 [0,2,0,0,0,0|1,0,1]=4 11238 B10R0.55 CCC(C)CNCCC(C)C 270004a_100000210545_100000243153 [0,2,0,0,0,0|1,0,1]=4 11239 B10R0.55 CCC(C)CNCCC(C)O 2230a_100020588543_100012276601 [0,2,0,0,0,0|0,0,2]=4 11240 B10R0.55 CCC(C)CNCCC(C)O 2230a_200000755665_100000748023 [0,2,0,0,0,0|0,0,2]=4 11241 B10R0.55 CCC(C)CNCCC(C)O 270004a_200000755665_100000243153 [0,2,0,0,0,0|0,0,2]=4 11242 B10R0.55 CCC(C)CNCCN(C)C 270004a_100000210585_100000243153 [0,2,0,0,0,0|2,0,0]=4 11243 B10R0.55 CCC(C)CNOCC(=O)O 269956a_100000106656_100000748023 [0,2,0,0,0,0|2,0,0]=4 11244 B10R0.55 CCC(C)COCC=C(C)C 34a_100000753907_100000748023 [0,2,0,0,0,0|1,0,1]=4 11245 B10R0.55 CCC(C)COCCC(=O)C 34a_100000759926_100000748023 [0,2,0,0,0,0|0,0,0]=2 11246 B10R0.55 CCC(C)COCCC(=O)C 7a_100000759926_100000748023 [0,2,0,0,0,0|0,0,0]=2 11247 B10R0.55 CCC(C)COCCC(=O)N 34a_100000757172_100000748023 [0,2,0,0,0,0|1,0,0]=3 11248 B10R0.55 CCC(C)COCCC(=O)N 7a_100000757172_100000748023 [0,2,0,0,0,0|1,0,0]=3 11249 B10R0.55 CCC(C)COCCC(C)Br 34a_100009893172_100000748023 [0,2,0,0,0,0|1,0,1]=4 11250 B10R0.55 CCC(C)COCCC(C)C 34a_100000210254_100000748023 [0,2,0,0,0,0|1,0,1]=4 11251 B10R0.55 CCC(C)COCCC(C)C 7a_100000210254_100000748023 [0,2,0,0,0,0|1,0,1]=4 11252 B10R0.55 CCC(C)COCC[C@@H](C)N 34a_100000706166_100000748023 [0,2,0,0,0,0|1,0,1]=4 11253 B10R0.55 CCC(C)CSCC=C(C)C 62a_100000748023_100000761012 [0,2,0,0,0,0|1,0,1]=4 11254 B10R0.55 CCC(C)CSCC=C(C)C 62a_100000761012_100000748023 [0,2,0,0,0,0|1,0,1]=4 11255 B10R0.55 CCC(C)CSCCC(=O)C 62a_100000053229_100000748023 [0,2,0,0,0,0|0,0,0]=2 11256 B10R0.55 CCC(C)CSCCC(=O)C 62a_100000748023_100000053229 [0,2,0,0,0,0|0,0,0]=2 11257 B10R0.55 CCC(C)CSCCC(=O)N 62a_100000744528_100000748023 [0,2,0,0,0,0|1,0,0]=3 11258 B10R0.55 CCC(C)CSCCC(=O)N 62a_100000748023_100000744528 [0,2,0,0,0,0|1,0,0]=3 11259 B10R0.55 CCC(C)CSCCC(C)C 62a_100000210312_100000748023 [0,2,0,0,0,0|1,0,1]=4 11260 B10R0.55 CCC(C)CSCCC(C)C 62a_100000748023_100000210312 [0,2,0,0,0,0|1,0,1]=4 11261 B10R0.55 CCC(C)CSCCC(C)O 62a_100000748023_100012276601 [0,2,0,0,0,0|0,0,2]=4 11262 B10R0.55 CCC(C)CSCCC(C)O 62a_100012276601_100000748023 [0,2,0,0,0,0|0,0,2]=4 11263 B10R0.55 CCC(C)CSCCN(C)C 62a_100000748023_100000755713 [0,2,0,0,0,0|2,0,0]=4 11264 B10R0.55 CCC(C)CSCOC(=O)C 62a_100000076356_100000748023 [0,2,0,0,0,0|1,0,0]=3 11265 B10R0.55 CCC(C)CSCOC(=O)C 62a_100000748023_100000076356 [0,2,0,0,0,0|1,0,0]=3 11266 B10R0.55 CCC(C)NCCC=C(C)C 2230a_100000209981_100011217483 [0,2,0,0,0,0|1,0,1]=4 11267 B10R0.55 CCC(C)NCCCC(=O)N 34a_100000739312_100011215416 [0,2,0,0,0,0|1,0,0]=3 11268 B10R0.55 CCC(C)NCCCC(C)C 2230a_100000209981_100011214892 [0,2,0,0,0,0|1,0,1]=4 11269 B10R0.55 CCC(C)NCCCC(C)C 2230a_200000737386_100000758301 [0,2,0,0,0,0|1,0,1]=4 11270 B10R0.55 CCC(C)NCCCC(C)C 34a_200000737386_100011215416 [0,2,0,0,0,0|1,0,1]=4 11271 B10R0.55 CCC(C)NCCCC(C)O 2230a_100000209981_200000718107 [0,2,0,0,0,0|0,0,2]=4 11272 B10R0.55 CCC(C)NCCCS(=O)C 2230a_200000753449_100000758301 [0,2,0,0,0,0|1,0,0]=3 11273 B10R0.55 CCC(C)NCCNC(=O)C 2230a_100000209853_100000758301 [0,2,0,0,0,0|1,0,0]=3 11274 B10R0.55 CCC(C)NCCNC(=O)C 2230a_100000209981_100000189650 [0,2,0,0,0,0|1,0,0]=3 11275 B10R0.55 CCC(C)NCCNC(=O)N 2230a_100000209981_200000034859 [0,2,0,0,0,0|2,0,0]=4 11276 B10R0.55 CCC(C)NCCNC(=O)N 34a_100020590234_100011215416 [0,2,0,0,0,0|2,0,0]=4 11277 B10R0.55 CCC(C)OCCC=C(C)C 7a_100000210228_100011217483 [0,2,0,0,0,0|1,0,1]=4 11278 B10R0.55 CCC(C)OCCCC(=O)C 34a_100000759063_100011215416 [0,2,0,0,0,0|0,0,0]=2 11279 B10R0.55 CCC(C)OCCCC(=O)C 7a_100000210228_100011215641 [0,2,0,0,0,0|0,0,0]=2 11280 B10R0.55 CCC(C)OCCCC(=O)C 7a_100000759063_100000758301 [0,2,0,0,0,0|0,0,0]=2 11281 B10R0.55 CCC(C)OCCCC(=O)N 7a_100000210228_100102525003 [0,2,0,0,0,0|1,0,0]=3 11282 B10R0.55 CCC(C)OCCCC(C)C 34a_100000210774_100011215416 [0,2,0,0,0,0|1,0,1]=4 11283 B10R0.55 CCC(C)OCCCC(C)C 7a_100000210228_100011214892 [0,2,0,0,0,0|1,0,1]=4 11284 B10R0.55 CCC(C)OCCCC(C)C 7a_100000210774_100000758301 [0,2,0,0,0,0|1,0,1]=4 11285 B10R0.55 CCC(C)OCCCC(C)O 7a_100000210228_200000718107 [0,2,0,0,0,0|0,0,2]=4 11286 B10R0.55 CCC(C)OCCCN(C)C 7a_100000210228_100000757444 [0,2,0,0,0,0|2,0,0]=4 11287 B10R0.55 CCC(C)OCCC[N+](=O)[O-] 34a_200000037920_100011215416 [0,2,0,0,0,0|2,0,0]=4 11288 B10R0.55 CCC(C)OCCNC(=O)C 34a_100000158858_100011215416 [0,2,0,0,0,0|1,0,0]=3 11289 B10R0.55 CCC(C)OCCNC(=O)C 7a_100000210228_100000189650 [0,2,0,0,0,0|1,0,0]=3 11290 B10R0.55 CCC(C)OCCNC(=O)N 34a_100000181757_100011215416 [0,2,0,0,0,0|2,0,0]=4 11291 B10R0.55 CCC(C)OCCNC(=O)N 7a_100000210228_200000034859 [0,2,0,0,0,0|2,0,0]=4 11292 B10R0.55 CCC(C)OCCOC(=O)C 7a_100000210228_100009814007 [0,2,0,0,0,0|1,0,0]=3 11293 B10R0.55 CCC(C)OCCOC(=O)N 7a_100000210228_200011214921 [0,2,0,0,0,0|2,0,0]=4 11294 B10R0.55 CCC(C)OCCOC(=O)N 7a_100000766696_100000758301 [0,2,0,0,0,0|2,0,0]=4 11295 B10R0.55 CCC(C)SCCC=C(C)C 62a_100000758301_100011217483 [0,2,0,0,0,0|1,0,1]=4 11296 B10R0.55 CCC(C)SCCC=C(C)C 62a_100011217483_100000758301 [0,2,0,0,0,0|1,0,1]=4 11297 B10R0.55 CCC(C)SCCCC(=O)C 62a_100000758301_100011215641 [0,2,0,0,0,0|0,0,0]=2 11298 B10R0.55 CCC(C)SCCCC(=O)C 62a_100011215641_100000758301 [0,2,0,0,0,0|0,0,0]=2 11299 B10R0.55 CCC(C)SCCCC(=O)N 62a_100000758301_100102525003 [0,2,0,0,0,0|1,0,0]=3 11300 B10R0.55 CCC(C)SCCCC(=O)N 62a_100102525003_100000758301 [0,2,0,0,0,0|1,0,0]=3 11301 B10R0.55 CCC(C)SCCCC(C)C 62a_100000758301_100011214892 [0,2,0,0,0,0|1,0,1]=4 11302 B10R0.55 CCC(C)SCCCC(C)C 62a_100011214892_100000758301 [0,2,0,0,0,0|1,0,1]=4 11303 B10R0.55 CCC(C)SCCCC(C)O 62a_100000758301_200000718107 [0,2,0,0,0,0|0,0,2]=4 11304 B10R0.55 CCC(C)SCCCC(C)O 62a_200000718107_100000758301 [0,2,0,0,0,0|0,0,2]=4 11305 B10R0.55 CCC(C)SCCCN(C)C 62a_100000758301_100000757444 [0,2,0,0,0,0|2,0,0]=4 11306 B10R0.55 CCC(C)SCCNC(=O)C 62a_100000189650_100000758301 [0,2,0,0,0,0|1,0,0]=3 11307 B10R0.55 CCC(C)SCCNC(=O)C 62a_100000758301_100000189650 [0,2,0,0,0,0|1,0,0]=3 11308 B10R0.55 CCC(C)SCCNC(=O)N 62a_100000758301_200000034859 [0,2,0,0,0,0|2,0,0]=4 11309 B10R0.55 CCC(C)SCCNC(=O)N 62a_200000034859_100000758301 [0,2,0,0,0,0|2,0,0]=4 11310 B10R0.55 CCC(C)SCCOC(=O)C 62a_100000758301_100009814007 [0,2,0,0,0,0|1,0,0]=3 11311 B10R0.55 CCC(C)SCCOC(=O)C 62a_100009814007_100000758301 [0,2,0,0,0,0|1,0,0]=3 11312 B10R0.55 CCC(C)SCCOC(=O)N 62a_100000758301_200011214921 [0,2,0,0,0,0|2,0,0]=4 11313 B10R0.55 CCC(C)SCCOC(=O)N 62a_200011214921_100000758301 [0,2,0,0,0,0|2,0,0]=4 11314 B10R0.55 CCC(O)CNCC=C(C)C 2230a_100011218483_100000761012 [0,2,0,0,0,0|1,0,1]=4 11315 B10R0.55 CCC(O)CNCC=C(C)C 34a_100000718196_100011218378 [0,2,0,0,0,0|1,0,1]=4 11316 B10R0.55 CCC(O)CNCCC(=O)N 2230a_100011218483_100000744528 [0,2,0,0,0,0|1,0,0]=3 11317 B10R0.55 CCC(O)CNCCC(C)C 2230a_100011218483_100000210312 [0,2,0,0,0,0|1,0,1]=4 11318 B10R0.55 CCC(O)CNCCC(C)C 269862a_100011218483_100000185833 [0,2,0,0,0,0|1,0,1]=4 11319 B10R0.55 CCC(O)CNCCC(C)O 2230a_100011218483_100012276601 [0,2,0,0,0,0|0,0,2]=4 11320 B10R0.55 CCC(O)CNCCC(C)O 2230a_200000755665_100011218378 [0,2,0,0,0,0|0,0,2]=4 11321 B10R0.55 CCC(O)CNOCC(=O)O 269956a_100000106656_100011218378 [0,2,0,0,0,0|2,0,0]=4 11322 B10R0.55 CCC(O)COCC=C(C)C 34a_100000753907_100011218378 [0,2,0,0,0,0|1,0,1]=4 11323 B10R0.55 CCC(O)COCCC(=O)C 34a_100000759926_100011218378 [0,2,0,0,0,0|0,0,0]=2 11324 B10R0.55 CCC(O)COCCC(=O)C 7a_100000759926_100011218378 [0,2,0,0,0,0|0,0,0]=2 11325 B10R0.55 CCC(O)COCCC(=O)N 34a_100000757172_100011218378 [0,2,0,0,0,0|1,0,0]=3 11326 B10R0.55 CCC(O)COCCC(=O)N 7a_100000757172_100011218378 [0,2,0,0,0,0|1,0,0]=3 11327 B10R0.55 CCC(O)COCCC(C)Br 34a_100009893172_100011218378 [0,2,0,0,0,0|1,0,1]=4 11328 B10R0.55 CCC(O)COCCC(C)C 34a_100000210254_100011218378 [0,2,0,0,0,0|1,0,1]=4 11329 B10R0.55 CCC(O)COCCC(C)C 7a_100000210254_100011218378 [0,2,0,0,0,0|1,0,1]=4 11330 B10R0.55 CCC(O)COCC[C@@H](C)N 34a_100000706166_100011218378 [0,2,0,0,0,0|1,0,1]=4 11331 B10R0.55 CCC(O)CSCC=C(C)C 62a_100000761012_100011218378 [0,2,0,0,0,0|1,0,1]=4 11332 B10R0.55 CCC(O)CSCC=C(C)C 62a_100011218378_100000761012 [0,2,0,0,0,0|1,0,1]=4 11333 B10R0.55 CCC(O)CSCCC(=O)C 62a_100000053229_100011218378 [0,2,0,0,0,0|0,0,0]=2 11334 B10R0.55 CCC(O)CSCCC(=O)C 62a_100011218378_100000053229 [0,2,0,0,0,0|0,0,0]=2 11335 B10R0.55 CCC(O)CSCCC(=O)N 62a_100000744528_100011218378 [0,2,0,0,0,0|1,0,0]=3 11336 B10R0.55 CCC(O)CSCCC(=O)N 62a_100011218378_100000744528 [0,2,0,0,0,0|1,0,0]=3 11337 B10R0.55 CCC(O)CSCCC(C)C 62a_100000210312_100011218378 [0,2,0,0,0,0|1,0,1]=4 11338 B10R0.55 CCC(O)CSCCC(C)C 62a_100011218378_100000210312 [0,2,0,0,0,0|1,0,1]=4 11339 B10R0.55 CCC(O)CSCCC(C)O 62a_100011218378_100012276601 [0,2,0,0,0,0|0,0,2]=4 11340 B10R0.55 CCC(O)CSCCC(C)O 62a_100012276601_100011218378 [0,2,0,0,0,0|0,0,2]=4 11341 B10R0.55 CCC(O)CSCCN(C)C 62a_100011218378_100000755713 [0,2,0,0,0,0|2,0,0]=4 11342 B10R0.55 CCC(O)CSCOC(=O)C 62a_100000076356_100011218378 [0,2,0,0,0,0|1,0,0]=3 11343 B10R0.55 CCC(O)CSCOC(=O)C 62a_100011218378_100000076356 [0,2,0,0,0,0|1,0,0]=3 11344 B10R0.55 CCN(C)CCCCC(=O)C 269982a_100000225621_100000735457 [0,2,0,0,0,0|0,0,0]=2 11345 B10R0.55 CCN(C)CCCCC(C)C 2230a_100000225621_100011216152 [0,2,0,0,0,0|1,0,1]=4 11346 B10R0.55 CCN(C)CCCCC(C)C 269982a_100000225621_100011216152 [0,2,0,0,0,0|1,0,1]=4 11347 B10R0.55 CCN(C)CCCCN(C)C 269982a_100000225621_100000690147 [0,2,0,0,0,0|2,0,0]=4 11348 B10R0.55 CCN(C)CCCOC(=O)C 269982a_100000225621_100000042594 [0,2,0,0,0,0|1,0,0]=3 11349 B10R0.55 CCN(C)CCCOC(=S)C 2230a_100000225621_200135323944 [0,2,0,0,0,0|1,1,0]=4 11350 B10R0.55 CCN(C)CCCOC(=S)C 269982a_100000225621_200135323944 [0,2,0,0,0,0|1,1,0]=4 11351 B10R0.55 CCN(C)CCCSC(=O)C 2230a_100000225621_100000038929 [0,2,0,0,0,0|1,0,0]=3 11352 B10R0.55 CCN(C)CCCSC(=O)C 269982a_100000225621_100000038929 [0,2,0,0,0,0|1,0,0]=3 11353 B10R0.55 CCN(C)CCOCC(=O)N 2230a_100000225621_100000076697 [0,2,0,0,0,0|2,0,0]=4 11354 B10R0.55 CCN(C)CCOCC(=O)N 269982a_100000225621_100000076697 [0,2,0,0,0,0|2,0,0]=4 11355 B10R0.55 CC[C@H](C)CNCC=C(C)C 34a_100000718196_100009816398 [0,2,0,0,0,0|1,0,1]=4 11356 B10R0.55 CC[C@H](C)CNCCC(C)O 2230a_200000755665_100009816398 [0,2,0,0,0,0|0,0,2]=4 11357 B10R0.55 CC[C@H](C)CNOCC(=O)O 269956a_100000106656_100009816398 [0,2,0,0,0,0|2,0,0]=4 11358 B10R0.55 CC[C@H](C)COCC=C(C)C 34a_100000753907_100009816398 [0,2,0,0,0,0|1,0,1]=4 11359 B10R0.55 CC[C@H](C)COCC=C(C)C 7a_100009816381_100000761012 [0,2,0,0,0,0|1,0,1]=4 11360 B10R0.55 CC[C@H](C)COCCC(=O)C 34a_100000759926_100009816398 [0,2,0,0,0,0|0,0,0]=2 11361 B10R0.55 CC[C@H](C)COCCC(=O)C 7a_100000759926_100009816398 [0,2,0,0,0,0|0,0,0]=2 11362 B10R0.55 CC[C@H](C)COCCC(=O)C 7a_100009816381_100000053229 [0,2,0,0,0,0|0,0,0]=2 11363 B10R0.55 CC[C@H](C)COCCC(=O)N 34a_100000757172_100009816398 [0,2,0,0,0,0|1,0,0]=3 11364 B10R0.55 CC[C@H](C)COCCC(=O)N 7a_100000757172_100009816398 [0,2,0,0,0,0|1,0,0]=3 11365 B10R0.55 CC[C@H](C)COCCC(=O)N 7a_100009816381_100000744528 [0,2,0,0,0,0|1,0,0]=3 11366 B10R0.55 CC[C@H](C)COCCC(C)Br 34a_100009893172_100009816398 [0,2,0,0,0,0|1,0,1]=4 11367 B10R0.55 CC[C@H](C)COCCC(C)C 34a_100000210254_100009816398 [0,2,0,0,0,0|1,0,1]=4 11368 B10R0.55 CC[C@H](C)COCCC(C)C 7a_100000210254_100009816398 [0,2,0,0,0,0|1,0,1]=4 11369 B10R0.55 CC[C@H](C)COCCC(C)C 7a_100009816381_100000210626 [0,2,0,0,0,0|1,0,1]=4 11370 B10R0.55 CC[C@H](C)COCCC(C)O 7a_100009816381_100012276601 [0,2,0,0,0,0|0,0,2]=4 11371 B10R0.55 CC[C@H](C)COCCN(C)C 7a_100009816381_100000755713 [0,2,0,0,0,0|2,0,0]=4 11372 B10R0.55 CC[C@H](C)COCC[C@@H](C)N 34a_100000706166_100009816398 [0,2,0,0,0,0|1,0,1]=4 11373 B10R0.55 CC[C@H](C)CSCC=C(C)C 62a_100000761012_100009816398 [0,2,0,0,0,0|1,0,1]=4 11374 B10R0.55 CC[C@H](C)CSCC=C(C)C 62a_100009816398_100000761012 [0,2,0,0,0,0|1,0,1]=4 11375 B10R0.55 CC[C@H](C)CSCCC(=O)C 62a_100000053229_100009816398 [0,2,0,0,0,0|0,0,0]=2 11376 B10R0.55 CC[C@H](C)CSCCC(=O)C 62a_100009816398_100000053229 [0,2,0,0,0,0|0,0,0]=2 11377 B10R0.55 CC[C@H](C)CSCCC(=O)N 62a_100000744528_100009816398 [0,2,0,0,0,0|1,0,0]=3 11378 B10R0.55 CC[C@H](C)CSCCC(=O)N 62a_100009816398_100000744528 [0,2,0,0,0,0|1,0,0]=3 11379 B10R0.55 CC[C@H](C)CSCCC(C)C 62a_100000210312_100009816398 [0,2,0,0,0,0|1,0,1]=4 11380 B10R0.55 CC[C@H](C)CSCCC(C)C 62a_100009816398_100000210312 [0,2,0,0,0,0|1,0,1]=4 11381 B10R0.55 CC[C@H](C)CSCCC(C)O 62a_100009816398_100012276601 [0,2,0,0,0,0|0,0,2]=4 11382 B10R0.55 CC[C@H](C)CSCCC(C)O 62a_100012276601_100009816398 [0,2,0,0,0,0|0,0,2]=4 11383 B10R0.55 CC[C@H](C)CSCCN(C)C 62a_100009816398_100000755713 [0,2,0,0,0,0|2,0,0]=4 11384 B10R0.55 CC[C@H](C)CSCOC(=O)C 62a_100000076356_100009816398 [0,2,0,0,0,0|1,0,0]=3 11385 B10R0.55 CC[C@H](C)CSCOC(=O)C 62a_100009816398_100000076356 [0,2,0,0,0,0|1,0,0]=3 11386 B10R0.55 CN(C)CCCNC(=O)CO 240690a_102531767803_100000210174 [0,2,0,0,0,0|2,0,0]=4 11387 B10R0.55 CN(C)CCCNC(=O)CO 527a_102531767803_100000210174 [0,2,0,0,0,0|2,0,0]=4 11388 B10R0.55 CNC(=O)CCCCC(C)C 11a_106832991635_100011933920 [0,2,0,0,0,0|0,0,0]=2 11389 B10R0.55 CNC(=O)CCCCC(C)C 1626a_100102657272_100011933920 [0,2,0,0,0,0|0,0,0]=2 11390 B10R0.55 CNC(=O)CCCCC(C)C 240690a_100102657272_100011933920 [0,2,0,0,0,0|0,0,0]=2 11391 B10R0.55 CNC(=O)CCCCC(C)C 527a_100102657272_100011933920 [0,2,0,0,0,0|0,0,0]=2 11392 B10R0.55 CNC(=O)CCCCN(C)C 11a_106832991635_100000751710 [0,2,0,0,0,0|1,0,0]=3 11393 B10R0.55 CNC(=O)CCCCN(C)C 240690a_100102657272_100000751710 [0,2,0,0,0,0|1,0,0]=3 11394 B10R0.55 CNC(=O)CCCCN(C)C 527a_100102657272_100000751710 [0,2,0,0,0,0|1,0,0]=3 11395 B10R0.55 CNC(=O)CCCNC(=O)C 11a_100000740002_100015343762 [0,2,0,0,0,0|1,0,1]=4 11396 B10R0.55 CNC(=O)CCCNC(=O)C 11a_106832991635_100000194741 [0,2,0,0,0,0|1,0,1]=4 11397 B10R0.55 CNC(=O)CCCNC(=O)C 1626a_100102657272_100000194741 [0,2,0,0,0,0|1,0,1]=4 11398 B10R0.55 CNC(=O)CCCNC(=O)C 240690a_100000740002_100015343762 [0,2,0,0,0,0|1,0,1]=4 11399 B10R0.55 CNC(=O)CCCNC(=O)C 240690a_100102657272_100000194741 [0,2,0,0,0,0|1,0,1]=4 11400 B10R0.55 CNC(=O)CCCNC(=O)C 527a_100000740002_100103153847 [0,2,0,0,0,0|1,0,1]=4 11401 B10R0.55 CNC(=O)CCCNC(=O)C 527a_100102657272_100000194741 [0,2,0,0,0,0|1,0,1]=4 11402 B10R0.55 CNC(=O)CCCNC(C)C 2230a_100000740002_100000210206 [0,2,0,0,0,0|1,0,0]=3 11403 B10R0.55 CNC(=O)CCCNC(C)C 2230a_100138425928_100000741757 [0,2,0,0,0,0|1,0,0]=3 11404 B10R0.55 CNC(=O)CCCNC(C)C 34a_100000740002_100000210206 [0,2,0,0,0,0|1,0,0]=3 11405 B10R0.55 CNC(=O)CCCNC(C)C 34a_100138425928_100000741757 [0,2,0,0,0,0|1,0,0]=3 11406 B10R0.55 CNC(=O)CCCOC(C)C 34a_100000212225_100000741757 [0,2,0,0,0,0|1,0,0]=3 11407 B10R0.55 CNC(=O)CCCSC(C)C 62a_100000210206_100000741757 [0,2,0,0,0,0|1,0,0]=3 11408 B10R0.55 CNC(=O)CCCSC(C)C 62a_100000741757_100000210206 [0,2,0,0,0,0|1,0,0]=3 11409 B10R0.55 CNC(=O)CCNCC(C)C 2230a_100000210953_100000737683 [0,2,0,0,0,0|1,0,0]=3 11410 B10R0.55 CNC(=O)CCNCC(C)C 2230a_100000738227_100000210760 [0,2,0,0,0,0|1,0,0]=3 11411 B10R0.55 CNC(=O)CCNCC(C)C 270004a_100000738227_100000210432 [0,2,0,0,0,0|1,0,0]=3 11412 B10R0.55 CNC(=O)CCNCC(C)C 34a_100000210953_100012179268 [0,2,0,0,0,0|1,0,0]=3 11413 B10R0.55 CNC(=O)CCNCC(C)C 34a_100000738227_100000210624 [0,2,0,0,0,0|1,0,0]=3 11414 B10R0.55 CNC(=O)CCNCC(C)O 2230a_100000210904_100000737683 [0,2,0,0,0,0|1,0,0]=3 11415 B10R0.55 CNC(=O)CCNCC(C)O 2230a_100000738227_100011218427 [0,2,0,0,0,0|1,0,0]=3 11416 B10R0.55 CNC(=O)CCNCC(C)O 34a_100000210904_100012179268 [0,2,0,0,0,0|1,0,0]=3 11417 B10R0.55 CNC(=O)CCNCC(C)O 34a_100000738227_100011218427 [0,2,0,0,0,0|1,0,0]=3 11418 B10R0.55 CNC(=O)CCNCC(F)F 2230a_100000738227_100011934356 [0,2,0,0,0,0|2,0,0]=4 11419 B10R0.55 CNC(=O)CCNCC(F)F 34a_100000738227_100011934356 [0,2,0,0,0,0|2,0,0]=4 11420 B10R0.55 CNC(=O)CCNCC(F)F 34a_100000765723_100012179268 [0,2,0,0,0,0|2,0,0]=4 11421 B10R0.55 CNC(=O)CCNC[C@@H](C)O 2230a_100000738227_100009817552 [0,2,0,0,0,0|1,0,0]=3 11422 B10R0.55 CNC(=O)CCNC[C@@H](C)O 34a_100000738227_100009817552 [0,2,0,0,0,0|1,0,0]=3 11423 B10R0.55 CNC(=O)CCOCC(=O)C 34a_100000211253_100012179268 [0,2,0,0,0,0|1,0,1]=4 11424 B10R0.55 CNC(=O)CCOCC(C)Br 34a_100012180447_100012179268 [0,2,0,0,0,0|1,0,0]=3 11425 B10R0.55 CNC(=O)CCOCC(C)C 34a_100000210257_100012179268 [0,2,0,0,0,0|1,0,0]=3 11426 B10R0.55 CNC(=O)CCOCC(C)C 34a_100000754576_100000210624 [0,2,0,0,0,0|1,0,0]=3 11427 B10R0.55 CNC(=O)CCOCC(C)F 34a_100015925927_100012179268 [0,2,0,0,0,0|1,0,0]=3 11428 B10R0.55 CNC(=O)CCOCC(C)O 34a_100000754576_100011218427 [0,2,0,0,0,0|1,0,0]=3 11429 B10R0.55 CNC(=O)CCOCC(F)F 34a_100000743014_100012179268 [0,2,0,0,0,0|2,0,0]=4 11430 B10R0.55 CNC(=O)CCOCC(F)F 34a_100000754576_100011934356 [0,2,0,0,0,0|2,0,0]=4 11431 B10R0.55 CNC(=O)CCOC[C@@H](C)Cl 34a_100016084084_100012179268 [0,2,0,0,0,0|1,0,0]=3 11432 B10R0.55 CNC(=O)CCOC[C@@H](C)N 34a_100000737577_100012179268 [0,2,0,0,0,0|1,0,0]=3 11433 B10R0.55 CNC(=O)CCOC[C@@H](C)O 34a_100000754576_100009817552 [0,2,0,0,0,0|1,0,0]=3 11434 B10R0.55 CNC(=O)CCSCC(C)C 62a_100000210624_100000737683 [0,2,0,0,0,0|1,0,0]=3 11435 B10R0.55 CNC(=O)CCSCC(C)C 62a_100000737683_100000210760 [0,2,0,0,0,0|1,0,0]=3 11436 B10R0.55 CNC(=O)CCSCC(C)O 62a_100000737683_100011218427 [0,2,0,0,0,0|1,0,0]=3 11437 B10R0.55 CNC(=O)CCSCC(C)O 62a_100011218427_100000737683 [0,2,0,0,0,0|1,0,0]=3 11438 B10R0.55 CNC(=O)CCSCC(F)F 62a_100000737683_100011934356 [0,2,0,0,0,0|2,0,0]=4 11439 B10R0.55 CNC(=O)CCSCC(F)F 62a_100011934356_100000737683 [0,2,0,0,0,0|2,0,0]=4 11440 B10R0.55 CNC(=O)CCSC[C@@H](C)O 62a_100000737683_100009817552 [0,2,0,0,0,0|1,0,0]=3 11441 B10R0.55 CNC(=O)CCSC[C@@H](C)O 62a_100009817552_100000737683 [0,2,0,0,0,0|1,0,0]=3 11442 B10R0.55 CNC(=O)CNCCC(C)C 2230a_100000693194_100000210312 [0,2,0,0,0,0|1,0,0]=3 11443 B10R0.55 CNC(=O)CNCCC(C)C 269862a_100000693194_100000185833 [0,2,0,0,0,0|1,0,0]=3 11444 B10R0.55 CNC(=O)CNCCC(C)O 2230a_100000693194_100012276601 [0,2,0,0,0,0|1,0,0]=3 11445 B10R0.55 CNC(=O)CNCCC(C)O 2230a_200000755665_100000183359 [0,2,0,0,0,0|1,0,0]=3 11446 B10R0.55 CNC(=O)CNCOC(C)C 2230a_100000693194_100000709892 [0,2,0,0,0,0|2,0,0]=4 11447 B10R0.55 CNC(=O)COCCC(=O)C 34a_100000759926_100000183359 [0,2,0,0,0,0|1,0,1]=4 11448 B10R0.55 CNC(=O)COCCC(=O)C 7a_100000759926_100000183359 [0,2,0,0,0,0|1,0,1]=4 11449 B10R0.55 CNC(=O)COCCC(C)Br 34a_100009893172_100000183359 [0,2,0,0,0,0|1,0,0]=3 11450 B10R0.55 CNC(=O)COCCC(C)C 34a_100000210254_100000183359 [0,2,0,0,0,0|1,0,0]=3 11451 B10R0.55 CNC(=O)COCCC(C)C 34a_100000750040_100000210312 [0,2,0,0,0,0|1,0,0]=3 11452 B10R0.55 CNC(=O)COCCC(C)C 7a_100000210254_100000183359 [0,2,0,0,0,0|1,0,0]=3 11453 B10R0.55 CNC(=O)COCCC(C)O 34a_100000750040_100012276601 [0,2,0,0,0,0|1,0,0]=3 11454 B10R0.55 CNC(=O)COCCC(F)F 34a_100103093639_100000183359 [0,2,0,0,0,0|2,0,0]=4 11455 B10R0.55 CNC(=O)COCC[C@@H](C)N 34a_100000706166_100000183359 [0,2,0,0,0,0|1,0,0]=3 11456 B10R0.55 CNC(=O)COCOC(C)C 34a_100000750040_100000709892 [0,2,0,0,0,0|2,0,0]=4 11457 B10R0.55 CNC(=O)CSCCC(=O)C 62a_100000053229_100000183359 [0,2,0,0,0,0|1,0,1]=4 11458 B10R0.55 CNC(=O)CSCCC(=O)C 62a_100000183359_100000053229 [0,2,0,0,0,0|1,0,1]=4 11459 B10R0.55 CNC(=O)CSCCC(C)C 62a_100000183359_100000210312 [0,2,0,0,0,0|1,0,0]=3 11460 B10R0.55 CNC(=O)CSCCC(C)C 62a_100000210312_100000183359 [0,2,0,0,0,0|1,0,0]=3 11461 B10R0.55 CNC(=O)CSCCC(C)O 62a_100000183359_100012276601 [0,2,0,0,0,0|1,0,0]=3 11462 B10R0.55 CNC(=O)CSCCC(C)O 62a_100012276601_100000183359 [0,2,0,0,0,0|1,0,0]=3 11463 B10R0.55 CNC(=O)CSCCN(C)C 62a_100000183359_100000755713 [0,2,0,0,0,0|2,0,0]=4 11464 B10R0.55 CNC(=O)CSCOC(C)C 62a_100000183359_100000709892 [0,2,0,0,0,0|2,0,0]=4 11465 B10R0.55 CNC(=O)CSCOC(C)C 62a_100000709892_100000183359 [0,2,0,0,0,0|2,0,0]=4 11466 B10R0.55 CNC(=O)NCCCC(C)C 2708a_100102657272_200000737386 [0,2,0,0,0,0|1,0,0]=3 11467 B10R0.55 CNC(=O)NCCCC(C)C 2708a_200000737386_106832991635 [0,2,0,0,0,0|1,0,0]=3 11468 B10R0.55 CNC(=O)NCCCC(C)C 273464a_100102657272_200000737386 [0,2,0,0,0,0|1,0,0]=3 11469 B10R0.55 CNC(=O)NCCCC(C)C 273464a_200000737386_100102657272 [0,2,0,0,0,0|1,0,0]=3 11470 B10R0.55 CNC(=O)NCCCC(C)C 512a_106832991638_200000737386 [0,2,0,0,0,0|1,0,0]=3 11471 B10R0.55 CNC(=O)NCCCC(C)C 512a_200000737386_100102657272 [0,2,0,0,0,0|1,0,0]=3 11472 B10R0.55 CNC(=O)NCCCN(C)C 2708a_100102657272_102531767803 [0,2,0,0,0,0|2,0,0]=4 11473 B10R0.55 CNC(=O)NCCCN(C)C 273464a_100102657272_102531767803 [0,2,0,0,0,0|2,0,0]=4 11474 B10R0.55 CNC(=O)NCCCN(C)C 273464a_102531767803_100102657272 [0,2,0,0,0,0|2,0,0]=4 11475 B10R0.55 CNC(=O)NCCCN(C)C 512a_102531767803_100102657272 [0,2,0,0,0,0|2,0,0]=4 11476 B10R0.55 CNC(=O)NCCCN(C)C 512a_106832991638_102531767803 [0,2,0,0,0,0|2,0,0]=4 11477 B10R0.55 CNC(=O)NCCCS(=O)C 2708a_100102657272_200000753449 [0,2,0,0,0,0|2,0,0]=4 11478 B10R0.55 CNC(=O)NCCCS(=O)C 2708a_200000753449_106832991635 [0,2,0,0,0,0|2,0,0]=4 11479 B10R0.55 CNC(=O)NCCCS(=O)C 273464a_100102657272_200000753449 [0,2,0,0,0,0|2,0,0]=4 11480 B10R0.55 CNC(=O)NCCCS(=O)C 273464a_200000753449_100102657272 [0,2,0,0,0,0|2,0,0]=4 11481 B10R0.55 CNC(=O)NCCCS(=O)C 512a_106832991638_200000753449 [0,2,0,0,0,0|2,0,0]=4 11482 B10R0.55 CNC(=O)NCCCS(=O)C 512a_200000753449_100102657272 [0,2,0,0,0,0|2,0,0]=4 11483 B10R0.55 CNC(=O)NCCNC(C)C 34a_100015205895_100000210206 [0,2,0,0,0,0|2,0,0]=4 11484 B10R0.55 CNC(=O)NCCOC(C)C 2708a_100000701111_106832991635 [0,2,0,0,0,0|2,0,0]=4 11485 B10R0.55 CNC(=O)NCCOC(C)C 2708a_100102657272_100000701111 [0,2,0,0,0,0|2,0,0]=4 11486 B10R0.55 CNC(=O)NCCOC(C)C 273464a_100000701111_100102657272 [0,2,0,0,0,0|2,0,0]=4 11487 B10R0.55 CNC(=O)NCCOC(C)C 273464a_100102657272_100000701111 [0,2,0,0,0,0|2,0,0]=4 11488 B10R0.55 CNC(=O)NCCOC(C)C 512a_100000701111_100102657272 [0,2,0,0,0,0|2,0,0]=4 11489 B10R0.55 CNC(=O)NCCOC(C)C 512a_106832991638_100000701111 [0,2,0,0,0,0|2,0,0]=4 11490 B10R0.55 CNC(=O)NCCSC(C)C 2708a_100000731138_106832991635 [0,2,0,0,0,0|2,0,0]=4 11491 B10R0.55 CNC(=O)NCCSC(C)C 2708a_100102657272_100000731138 [0,2,0,0,0,0|2,0,0]=4 11492 B10R0.55 CNC(=O)NCCSC(C)C 273464a_100000731138_100102657272 [0,2,0,0,0,0|2,0,0]=4 11493 B10R0.55 CNC(=O)NCCSC(C)C 273464a_100102657272_100000731138 [0,2,0,0,0,0|2,0,0]=4 11494 B10R0.55 CNC(=O)NCCSC(C)C 512a_100000731138_100102657272 [0,2,0,0,0,0|2,0,0]=4 11495 B10R0.55 CNC(=O)NCCSC(C)C 512a_106832991638_100000731138 [0,2,0,0,0,0|2,0,0]=4 11496 B10R0.55 CNC(=O)OCCNC(C)C 34a_100138425928_200011997002 [0,2,0,0,0,0|2,0,0]=4 11497 B10R0.55 CNC(=O)OCCOC(C)C 34a_100000212225_200011997002 [0,2,0,0,0,0|2,0,0]=4 11498 B10R0.55 CNC(=O)OCCSC(C)C 62a_100000210206_200011997002 [0,2,0,0,0,0|2,0,0]=4 11499 B10R0.55 CNC(=O)OCCSC(C)C 62a_200011997002_100000210206 [0,2,0,0,0,0|2,0,0]=4 11500 B10R0.55 COC(=O)CCCCC(=O)C 1458a_100000070787_100000204269 [0,2,0,0,0,0|0,0,1]=3 11501 B10R0.55 COC(=O)CCCCC(=O)C 1458a_100000695723_200000210301 [0,2,0,0,0,0|0,0,1]=3 11502 B10R0.55 COC(=O)CCCCC(=O)[13CH3] 1458a_100000695723_200025704644 [0,2,0,0,0,0|0,0,1]=3 11503 B10R0.55 COC(=O)CCCCN(C)C 2230a_100102631434_100000204269 [0,2,0,0,0,0|1,0,0]=3 11504 B10R0.55 COC(=O)CCCCN(C)C 269982a_100102631434_100000204269 [0,2,0,0,0,0|1,0,0]=3 11505 B10R0.55 COC(=O)CCCNC(=O)C 188690a_100000184769_100015343762 [0,2,0,0,0,0|1,0,1]=4 11506 B10R0.55 COC(=O)CCCNC(C)C 2230a_100138425928_100011218270 [0,2,0,0,0,0|1,0,0]=3 11507 B10R0.55 COC(=O)CCCNC(C)C 34a_100138425928_100000742333 [0,2,0,0,0,0|1,0,0]=3 11508 B10R0.55 COC(=O)CCCOC(C)C 34a_100000212225_100000742333 [0,2,0,0,0,0|1,0,0]=3 11509 B10R0.55 COC(=O)CCCSC(C)C 62a_100000210206_100011218270 [0,2,0,0,0,0|1,0,0]=3 11510 B10R0.55 COC(=O)CCCSC(C)C 62a_100011218270_100000210206 [0,2,0,0,0,0|1,0,0]=3 11511 B10R0.55 COC(=O)CCNCC(C)C 2230a_100000210953_100000204255 [0,2,0,0,0,0|1,0,0]=3 11512 B10R0.55 COC(=O)CCNCC(C)C 34a_100000210953_100000742370 [0,2,0,0,0,0|1,0,0]=3 11513 B10R0.55 COC(=O)CCNCC(C)O 2230a_100000210904_100000204255 [0,2,0,0,0,0|1,0,0]=3 11514 B10R0.55 COC(=O)CCNCC(C)O 34a_100000210904_100000742370 [0,2,0,0,0,0|1,0,0]=3 11515 B10R0.55 COC(=O)CCNCC(F)F 34a_100000765723_100000742370 [0,2,0,0,0,0|2,0,0]=4 11516 B10R0.55 COC(=O)CCOCC(=O)C 34a_100000211253_100000742370 [0,2,0,0,0,0|1,0,1]=4 11517 B10R0.55 COC(=O)CCOCC(C)Br 34a_100012180447_100000742370 [0,2,0,0,0,0|1,0,0]=3 11518 B10R0.55 COC(=O)CCOCC(C)C 34a_100000210257_100000742370 [0,2,0,0,0,0|1,0,0]=3 11519 B10R0.55 COC(=O)CCOCC(C)F 34a_100015925927_100000742370 [0,2,0,0,0,0|1,0,0]=3 11520 B10R0.55 COC(=O)CCOCC(F)F 34a_100000743014_100000742370 [0,2,0,0,0,0|2,0,0]=4 11521 B10R0.55 COC(=O)CCOC[C@@H](C)Cl 34a_100016084084_100000742370 [0,2,0,0,0,0|1,0,0]=3 11522 B10R0.55 COC(=O)CCOC[C@@H](C)N 34a_100000737577_100000742370 [0,2,0,0,0,0|1,0,0]=3 11523 B10R0.55 COC(=O)CCSCC(C)C 62a_100000204255_100000210760 [0,2,0,0,0,0|1,0,0]=3 11524 B10R0.55 COC(=O)CCSCC(C)C 62a_100000210624_100000204255 [0,2,0,0,0,0|1,0,0]=3 11525 B10R0.55 COC(=O)CCSCC(C)O 62a_100000204255_100011218427 [0,2,0,0,0,0|1,0,0]=3 11526 B10R0.55 COC(=O)CCSCC(C)O 62a_100011218427_100000204255 [0,2,0,0,0,0|1,0,0]=3 11527 B10R0.55 COC(=O)CCSCC(F)F 62a_100000204255_100011934356 [0,2,0,0,0,0|2,0,0]=4 11528 B10R0.55 COC(=O)CCSCC(F)F 62a_100011934356_100000204255 [0,2,0,0,0,0|2,0,0]=4 11529 B10R0.55 COC(=O)CCSC[C@@H](C)O 62a_100000204255_100009817552 [0,2,0,0,0,0|1,0,0]=3 11530 B10R0.55 COC(=O)CCSC[C@@H](C)O 62a_100009817552_100000204255 [0,2,0,0,0,0|1,0,0]=3 11531 B10R0.55 COC(=O)CNCCC(C)O 2230a_200000755665_100000747449 [0,2,0,0,0,0|1,0,0]=3 11532 B10R0.55 COC(=O)COCCC(=O)C 1458a_100000070787_100000090808 [0,2,0,0,0,0|1,0,1]=4 11533 B10R0.55 COC(=O)COCCC(=O)C 34a_100000759926_100000747449 [0,2,0,0,0,0|1,0,1]=4 11534 B10R0.55 COC(=O)COCCC(=O)C 7a_100000759926_100000747449 [0,2,0,0,0,0|1,0,1]=4 11535 B10R0.55 COC(=O)COCCC(C)Br 34a_100009893172_100000747449 [0,2,0,0,0,0|1,0,0]=3 11536 B10R0.55 COC(=O)COCCC(C)C 34a_100000210254_100000747449 [0,2,0,0,0,0|1,0,0]=3 11537 B10R0.55 COC(=O)COCCC(C)C 7a_100000210254_100000747449 [0,2,0,0,0,0|1,0,0]=3 11538 B10R0.55 COC(=O)COCCC(F)F 34a_100103093639_100000747449 [0,2,0,0,0,0|2,0,0]=4 11539 B10R0.55 COC(=O)COCCN(C)C 2230a_100102631434_100000090808 [0,2,0,0,0,0|2,0,0]=4 11540 B10R0.55 COC(=O)COCC[C@@H](C)N 34a_100000706166_100000747449 [0,2,0,0,0,0|1,0,0]=3 11541 B10R0.55 COC(=O)CSCCC(=O)C 62a_100000053229_100000747449 [0,2,0,0,0,0|1,0,1]=4 11542 B10R0.55 COC(=O)CSCCC(=O)C 62a_100000747449_100000053229 [0,2,0,0,0,0|1,0,1]=4 11543 B10R0.55 COC(=O)CSCCC(C)C 62a_100000210312_100000747449 [0,2,0,0,0,0|1,0,0]=3 11544 B10R0.55 COC(=O)CSCCC(C)C 62a_100000747449_100000210312 [0,2,0,0,0,0|1,0,0]=3 11545 B10R0.55 COC(=O)CSCCC(C)O 62a_100000747449_100012276601 [0,2,0,0,0,0|1,0,0]=3 11546 B10R0.55 COC(=O)CSCCC(C)O 62a_100012276601_100000747449 [0,2,0,0,0,0|1,0,0]=3 11547 B10R0.55 COC(=O)CSCCN(C)C 62a_100000747449_100000755713 [0,2,0,0,0,0|2,0,0]=4 11548 B10R0.55 COC(=O)CSCOC(C)C 62a_100000709892_100000747449 [0,2,0,0,0,0|2,0,0]=4 11549 B10R0.55 COC(=O)CSCOC(C)C 62a_100000747449_100000709892 [0,2,0,0,0,0|2,0,0]=4 11550 B10R0.55 COC(=O)NCCCC(=O)C 1458a_100000753017_200000210301 [0,2,0,0,0,0|1,0,1]=4 11551 B10R0.55 COC(=O)NCCCC(=O)[13CH3] 1458a_100000753017_200025704644 [0,2,0,0,0,0|1,0,1]=4 11552 B10R0.55 COC(=O)NCCOC(C)C 34a_100000757965_100000210206 [0,2,0,0,0,0|2,0,0]=4 11553 B10R0.55 COC(=O)OCCOC(C)C 34a_100010262106_100000210206 [0,2,0,0,0,0|2,0,0]=4 11554 B10R0.55 COC(=O)OCSCC(C)C 62a_100000210624_100000139417 [0,2,0,0,0,0|2,0,0]=4 11555 B10R0.55 COC(=O)OCSCC(C)O 62a_100011218427_100000139417 [0,2,0,0,0,0|2,0,0]=4 11556 B10R0.55 COC(=O)OCSC[C@@H](C)O 62a_100009817552_100000139417 [0,2,0,0,0,0|2,0,0]=4 11557 B10R0.55 COC(C)CCOCC(=O)N 7a_100000764861_100000187820 [0,2,0,0,0,0|2,0,0]=4 11558 B10R0.55 COC(C)COCCC(=O)N 34a_100000690652_100000731001 [0,2,0,0,0,0|2,0,0]=4 11559 B10R0.55 COC(C)COCOC(=O)C 34a_100000690652_100009813279 [0,2,0,0,0,0|2,0,0]=4 11560 B10R0.55 COC(C)SCCCC(=O)C 62a_100009879195_100011215641 [0,2,0,0,0,0|1,0,0]=3 11561 B10R0.55 COC(C)SCCCC(=O)C 62a_100011215641_100009879195 [0,2,0,0,0,0|1,0,0]=3 11562 B10R0.55 COC(C)SCCCC(=O)N 62a_100009879195_100102525003 [0,2,0,0,0,0|2,0,0]=4 11563 B10R0.55 COC(C)SCCCC(=O)N 62a_100102525003_100009879195 [0,2,0,0,0,0|2,0,0]=4 11564 B10R0.55 COC(C)SCCNC(=O)C 62a_100000189650_100009879195 [0,2,0,0,0,0|2,0,0]=4 11565 B10R0.55 COC(C)SCCNC(=O)C 62a_100009879195_100000189650 [0,2,0,0,0,0|2,0,0]=4 11566 B10R0.55 COC(C)SCCOC(=O)C 62a_100009814007_100009879195 [0,2,0,0,0,0|2,0,0]=4 11567 B10R0.55 COC(C)SCCOC(=O)C 62a_100009879195_100009814007 [0,2,0,0,0,0|2,0,0]=4 11568 B10R0.55 CO[C@H](C)CNCCC(=O)N 2230a_100020591295_100000744528 [0,2,0,0,0,0|2,0,0]=4 11569 B10R0.55 CS(=O)CCCNC(=O)CO 240690a_200000753449_100000210174 [0,2,0,0,0,0|2,0,0]=4 11570 B10R0.55 CS(=O)CCCNC(=O)CO 527a_200000753449_100000210174 [0,2,0,0,0,0|2,0,0]=4 11571 B10R0.55 C[C@@H](CO)COCCC(=O)N 34a_100000757172_100000059175 [0,2,0,0,0,0|2,0,0]=4 11572 B10R0.55 C[C@@H](CO)COCCC(=O)N 7a_100000757172_100000059175 [0,2,0,0,0,0|2,0,0]=4 11573 B10R0.55 C[C@@H](CO)CSCCC(=O)N 62a_100000059175_100000744528 [0,2,0,0,0,0|2,0,0]=4 11574 B10R0.55 C[C@@H](CO)CSCCC(=O)N 62a_100000744528_100000059175 [0,2,0,0,0,0|2,0,0]=4 11575 B10R0.55 C[C@H](CO)SCCCC(=O)N 62a_100016084084_100102525003 [0,2,0,0,0,0|2,0,0]=4 11576 B10R0.55 C[C@H](CO)SCCCC(=O)N 62a_100102525003_100016084084 [0,2,0,0,0,0|2,0,0]=4 11577 B10R0.55 NC(=O)CCNC[C@@H](F)CO 34a_100015665980_100000731001 [0,2,0,0,0,0|2,0,0]=4 11578 B10R0.55 NC(=O)CCNC[C@H](O)CO 2230a_100020644852_100000744528 [0,2,0,0,0,0|2,0,0]=4 11579 B10R0.55 NC(=O)CCOCC(Cl)CCl 34a_100000033668_100000731001 [0,2,0,0,0,0|2,0,0]=4 11580 B10R0.55 NC(=O)CCOCC(O)CO 34a_100000757172_100011219619 [0,2,0,0,0,0|2,0,0]=4 11581 B10R0.55 NC(=O)CCOCC(O)CO 7a_100000757172_100011219619 [0,2,0,0,0,0|2,0,0]=4 11582 B10R0.55 NC(=O)CCOC[C@@H](O)CF 34a_100000757172_100015614560 [0,2,0,0,0,0|2,0,0]=4 11583 B10R0.55 NC(=O)CCOC[C@@H](O)CF 7a_100000757172_100015614560 [0,2,0,0,0,0|2,0,0]=4 11584 B10R0.55 NC(=O)CCOC[C@@H](O)CO 34a_100000757172_100009815848 [0,2,0,0,0,0|2,0,0]=4 11585 B10R0.55 NC(=O)CCOC[C@@H](O)CO 7a_100000757172_100009815848 [0,2,0,0,0,0|2,0,0]=4 11586 B10R0.55 NC(=O)CCSCC(O)CO 62a_100000744528_100011219619 [0,2,0,0,0,0|2,0,0]=4 11587 B10R0.55 NC(=O)CCSCC(O)CO 62a_100011219619_100000744528 [0,2,0,0,0,0|2,0,0]=4 11588 B10R0.55 NC(=O)CCSC[C@@H](O)CF 62a_100000744528_100015614560 [0,2,0,0,0,0|2,0,0]=4 11589 B10R0.55 NC(=O)CCSC[C@@H](O)CF 62a_100015614560_100000744528 [0,2,0,0,0,0|2,0,0]=4 11590 B10R0.55 NC(=O)CCSC[C@@H](O)CO 62a_100000744528_100009815848 [0,2,0,0,0,0|2,0,0]=4 11591 B10R0.55 NC(=O)CCSC[C@@H](O)CO 62a_100009815848_100000744528 [0,2,0,0,0,0|2,0,0]=4 11592 B10R0.55 NC[C@@H](F)COCCC(=O)N 34a_100015665980_100000731001 [0,2,0,0,0,0|2,0,0]=4 11593 B10R0.55 O=C(CO)CCCCB(O)O 1458a_100000210174_200009817182 [0,2,0,0,0,0|2,0,0]=4 11594 B10R0.55 O=C(CO)CCOCC(F)F 1458a_100000210174_200012177212 [0,2,0,0,0,0|2,0,0]=4 11595 B10R0.74 C#C/C(=C\COCCCC)/C 34a_100016990848_100000210210 [0,2,0,0,0,0|1,0,1]=4 11596 B10R0.74 C#CC(=NNCCCCC)C 4a_100000694160_100000690481 [0,2,0,0,0,0|2,0,0]=4 11597 B10R0.74 C#CC(=O)CCCCCC#N 1458a_100000211873_100009813376 [0,2,0,0,0,0|0,0,2]=4 11598 B10R0.74 C#CC(=O)CCCCCC=C 1458a_100000211873_100000700193 [0,2,0,0,0,0|0,0,2]=4 11599 B10R0.74 C#CC(=O)CCCCCCC 1458a_100000211873_100000210614 [0,2,0,0,0,0|0,0,1]=3 11600 B10R0.74 C#CC(=O)CCCCCCF 1458a_100000211873_100015922095 [0,2,0,0,0,0|0,0,1]=3 11601 B10R0.74 C#CC(=O)CCCCCCO 1458a_100000211873_100000766143 [0,2,0,0,0,0|0,0,1]=3 11602 B10R0.74 C#CC(=O)CCOCCCC 1458a_100000211873_100000743108 [0,2,0,0,0,0|0,0,1]=3 11603 B10R0.74 C#CC(=O)CCOCCOC 1458a_100000211873_100000695917 [0,2,0,0,0,0|1,0,1]=4 11604 B10R0.74 C#CC(C)NCCCCCC 2230a_100000707721_100000210314 [0,2,0,0,0,0|1,0,1]=4 11605 B10R0.74 C#CC(C)NCCCCCC 34a_100000707721_100000210314 [0,2,0,0,0,0|1,0,1]=4 11606 B10R0.74 C#CC(C)OCCCCCC 34a_100000210259_200000035995 [0,2,0,0,0,0|1,0,1]=4 11607 B10R0.74 C#CC(C)SCCCCCC 62a_200000035995_100000210757 [0,2,0,0,0,0|1,0,1]=4 11608 B10R0.74 C#CCCCCCC(=O)C#C 1458a_100000211873_100012094781 [0,2,0,0,0,0|0,0,2]=4 11609 B10R0.74 C#CCCCCCC(=O)C=C 1458a_100000185746_100012094781 [0,2,0,0,0,0|0,0,2]=4 11610 B10R0.74 C#CCCCCCC(=O)CC 1458a_100000210414_100012094781 [0,2,0,0,0,0|0,0,1]=3 11611 B10R0.74 C#CCCCCCC(=O)CC 1458a_100000694772_100000210202 [0,2,0,0,0,0|0,0,1]=3 11612 B10R0.74 C#CCCCCCC(=O)CF 1458a_100000694772_100015361967 [0,2,0,0,0,0|0,0,1]=3 11613 B10R0.74 C#CCCCCCC(=O)CO 1458a_100000210174_100012094781 [0,2,0,0,0,0|0,0,1]=3 11614 B10R0.74 C#CCCCCCC(=O)NC 11a_106832991635_100000694772 [0,2,0,0,0,0|0,0,1]=3 11615 B10R0.74 C#CCCCCCC(=O)NC 1626a_100102657272_100000694772 [0,2,0,0,0,0|0,0,1]=3 11616 B10R0.74 C#CCCCCCC(=O)NC 240690a_100102657272_100000694772 [0,2,0,0,0,0|0,0,1]=3 11617 B10R0.74 C#CCCCCCC(=O)NC 527a_100102657272_100000694772 [0,2,0,0,0,0|0,0,1]=3 11618 B10R0.74 C#CCCCCNC(=O)CC 11a_100000706060_100000210414 [0,2,0,0,0,0|0,0,2]=4 11619 B10R0.74 C#CCCCCNC(=O)CC 1626a_100000706060_100000210414 [0,2,0,0,0,0|0,0,2]=4 11620 B10R0.74 C#CCCCCNC(=O)CC 240690a_100000706060_100000210414 [0,2,0,0,0,0|0,0,2]=4 11621 B10R0.74 C#CCCCCNC(=O)CC 527a_100000706060_100000210414 [0,2,0,0,0,0|0,0,2]=4 11622 B10R0.74 C#CCCCCNC(=O)CO 240690a_100000706060_100000210174 [0,2,0,0,0,0|0,0,2]=4 11623 B10R0.74 C#CCCCCNC(=O)CO 527a_100000706060_100000210174 [0,2,0,0,0,0|0,0,2]=4 11624 B10R0.74 C#CCCCCNC(=O)NC 2708a_100000706060_106832991635 [0,2,0,0,0,0|0,0,2]=4 11625 B10R0.74 C#CCCCCNC(=O)NC 2708a_100102657272_100000706060 [0,2,0,0,0,0|0,0,2]=4 11626 B10R0.74 C#CCCCCNC(=O)NC 273464a_100000706060_100102657272 [0,2,0,0,0,0|0,0,2]=4 11627 B10R0.74 C#CCCCCNC(=O)NC 273464a_100102657272_100000706060 [0,2,0,0,0,0|0,0,2]=4 11628 B10R0.74 C#CCCCCNC(=O)NC 512a_100000706060_100102657272 [0,2,0,0,0,0|0,0,2]=4 11629 B10R0.74 C#CCCCCNC(=O)NC 512a_106832991638_100000706060 [0,2,0,0,0,0|0,0,2]=4 11630 B10R0.74 C#CCCCNCC(=O)NC 2230a_100000693194_100000731252 [0,2,0,0,0,0|0,0,2]=4 11631 B10R0.74 C#CCCCNCC(=O)NC 34a_100000718082_100000183359 [0,2,0,0,0,0|0,0,2]=4 11632 B10R0.74 C#CCCCNCC(=O)OC 34a_100000718082_100000747449 [0,2,0,0,0,0|0,0,2]=4 11633 B10R0.74 C#CCCCOCC(=O)CC 34a_100000725409_100000695029 [0,2,0,0,0,0|0,0,2]=4 11634 B10R0.74 C#CCCCOCC(=O)CC 7a_100000215630_100000747405 [0,2,0,0,0,0|0,0,2]=4 11635 B10R0.74 C#CCCCOCC(=O)NC 34a_100000215630_100000183359 [0,2,0,0,0,0|0,0,2]=4 11636 B10R0.74 C#CCCCOCC(=O)NC 34a_100000750040_100000695029 [0,2,0,0,0,0|0,0,2]=4 11637 B10R0.74 C#CCCCOCC(=O)NC 7a_100000215630_100000183359 [0,2,0,0,0,0|0,0,2]=4 11638 B10R0.74 C#CCCCOCC(=O)OC 34a_100000215630_100000747449 [0,2,0,0,0,0|0,0,2]=4 11639 B10R0.74 C#CCCCOCC(=O)OC 7a_100000215630_100000747449 [0,2,0,0,0,0|0,0,2]=4 11640 B10R0.74 C#CCCCSCC(=O)CC 62a_100000747405_100011215417 [0,2,0,0,0,0|0,0,2]=4 11641 B10R0.74 C#CCCCSCC(=O)CC 62a_100011215417_100000747405 [0,2,0,0,0,0|0,0,2]=4 11642 B10R0.74 C#CCCCSCC(=O)NC 62a_100000183359_100011215417 [0,2,0,0,0,0|0,0,2]=4 11643 B10R0.74 C#CCCCSCC(=O)NC 62a_100011215417_100000183359 [0,2,0,0,0,0|0,0,2]=4 11644 B10R0.74 C#CCCCSCC(=O)OC 62a_100000747449_100011215417 [0,2,0,0,0,0|0,0,2]=4 11645 B10R0.74 C#CCCCSCC(=O)OC 62a_100011215417_100000747449 [0,2,0,0,0,0|0,0,2]=4 11646 B10R0.74 C#CCCNCCC(=O)NC 2230a_100000738227_100000688953 [0,2,0,0,0,0|0,0,2]=4 11647 B10R0.74 C#CCCNCCC(=O)NC 34a_100000738227_100000688953 [0,2,0,0,0,0|0,0,2]=4 11648 B10R0.74 C#CCCNCCC(=O)NC 34a_100000755551_100012179268 [0,2,0,0,0,0|0,0,2]=4 11649 B10R0.74 C#CCCNCCC(=O)OC 34a_100000755551_100000742370 [0,2,0,0,0,0|0,0,2]=4 11650 B10R0.74 C#CCCOCCC(=O)NC 34a_100000754576_100000688953 [0,2,0,0,0,0|0,0,2]=4 11651 B10R0.74 C#CCCOCCC(=O)NC 34a_100011215631_100012179268 [0,2,0,0,0,0|0,0,2]=4 11652 B10R0.74 C#CCCOCCC(=O)OC 34a_100011215631_100000742370 [0,2,0,0,0,0|0,0,2]=4 11653 B10R0.74 C#CCCSCCC(=O)NC 62a_100000688953_100000737683 [0,2,0,0,0,0|0,0,2]=4 11654 B10R0.74 C#CCCSCCC(=O)NC 62a_100000737683_100000688953 [0,2,0,0,0,0|0,0,2]=4 11655 B10R0.74 C#CCCSCCC(=O)OC 62a_100000204255_100000688953 [0,2,0,0,0,0|0,0,2]=4 11656 B10R0.74 C#CCCSCCC(=O)OC 62a_100000688953_100000204255 [0,2,0,0,0,0|0,0,2]=4 11657 B10R0.74 C#CCNCCCC(=O)NC 2230a_100000740002_100000038162 [0,2,0,0,0,0|0,0,2]=4 11658 B10R0.74 C#CCNCCCC(=O)NC 34a_100000212058_100000741757 [0,2,0,0,0,0|0,0,2]=4 11659 B10R0.74 C#CCNCCCC(=O)NC 34a_100000740002_100000184674 [0,2,0,0,0,0|0,0,2]=4 11660 B10R0.74 C#CCNCCCC(=O)OC 34a_100000212058_100000742333 [0,2,0,0,0,0|0,0,2]=4 11661 B10R0.74 C#CCOCCCC(=O)NC 34a_100000210247_100000741757 [0,2,0,0,0,0|0,0,2]=4 11662 B10R0.74 C#CCOCCCC(=O)OC 34a_100000210247_100000742333 [0,2,0,0,0,0|0,0,2]=4 11663 B10R0.74 C#CCSCCCC(=O)NC 62a_100000038162_100000741757 [0,2,0,0,0,0|0,0,2]=4 11664 B10R0.74 C#CCSCCCC(=O)OC 62a_100000038162_100011218270 [0,2,0,0,0,0|0,0,2]=4 11665 B10R0.74 C#C[C@@H](C)OCCCCCC 34a_100009815206_100000210314 [0,2,0,0,0,0|1,0,1]=4 11666 B10R0.74 C#C[C@@H](C)OCCCCCC 7a_100009815206_100000210314 [0,2,0,0,0,0|1,0,1]=4 11667 B10R0.74 C/C=C/CCOCC(=O)NC 34a_100016278192_100000183359 [0,2,0,0,0,0|0,0,2]=4 11668 B10R0.74 C/C=C/CCOCC(=O)OC 34a_100016278192_100000747449 [0,2,0,0,0,0|0,0,2]=4 11669 B10R0.74 C/C=C/CNCCC(=O)NC 34a_100000738227_100102629194 [0,2,0,0,0,0|0,0,2]=4 11670 B10R0.74 C/C=C/COCCC(=O)NC 34a_100000754576_100102629194 [0,2,0,0,0,0|0,0,2]=4 11671 B10R0.74 C/C=C/COCCC(=O)NC 34a_100016270725_100012179268 [0,2,0,0,0,0|0,0,2]=4 11672 B10R0.74 C/C=C/COCCC(=O)OC 34a_100016270725_100000742370 [0,2,0,0,0,0|0,0,2]=4 11673 B10R0.74 C/C=C/CSCCC(=O)NC 62a_100000737683_100102629194 [0,2,0,0,0,0|0,0,2]=4 11674 B10R0.74 C/C=C/CSCCC(=O)NC 62a_100102629194_100000737683 [0,2,0,0,0,0|0,0,2]=4 11675 B10R0.74 C/C=C/CSCCC(=O)OC 62a_100000204255_100102629194 [0,2,0,0,0,0|0,0,2]=4 11676 B10R0.74 C/C=C/CSCCC(=O)OC 62a_100102629194_100000204255 [0,2,0,0,0,0|0,0,2]=4 11677 B10R0.74 C=C(C#N)CNCCCCC 2230a_100000209983_100000694840 [0,2,0,0,0,0|1,0,1]=4 11678 B10R0.74 C=C(C#N)COCCCCC 34a_100000210253_100000694840 [0,2,0,0,0,0|1,0,1]=4 11679 B10R0.74 C=C(C#N)CSCCCCC 62a_100000210326_100000694840 [0,2,0,0,0,0|1,0,1]=4 11680 B10R0.74 C=CC(=NNCCCCC)C 4a_100000694160_200015361842 [0,2,0,0,0,0|2,0,0]=4 11681 B10R0.74 C=CC(=O)CCCCCC#N 1458a_100000185746_100009813376 [0,2,0,0,0,0|0,0,2]=4 11682 B10R0.74 C=CC(=O)CCCCCCC 1458a_100000185746_100000210614 [0,2,0,0,0,0|0,0,1]=3 11683 B10R0.74 C=CC(=O)CCCCCCF 1458a_100000185746_100015922095 [0,2,0,0,0,0|0,0,1]=3 11684 B10R0.74 C=CC(=O)CCCCCCO 1458a_100000185746_100000766143 [0,2,0,0,0,0|0,0,1]=3 11685 B10R0.74 C=CC(=O)CCOCCCC 1458a_100000185746_100000743108 [0,2,0,0,0,0|0,0,1]=3 11686 B10R0.74 C=CC(=O)CCOCCOC 1458a_100000185746_100000695917 [0,2,0,0,0,0|1,0,1]=4 11687 B10R0.74 C=CC(=O)NCCCCCC 1626a_100000210581_100000185746 [0,2,0,0,0,0|0,0,1]=3 11688 B10R0.74 C=CC(=O)NCCCCCC 240690a_100000210581_200121576911 [0,2,0,0,0,0|0,0,1]=3 11689 B10R0.74 C=CC(=O)NCCCCCO 240690a_100000762737_200121576911 [0,2,0,0,0,0|1,0,1]=4 11690 B10R0.74 C=CC(=O)NCCCCOC 34a_100014118770_200000210301 [0,2,0,0,0,0|1,0,1]=4 11691 B10R0.74 C=CC(=O)NCCCCO[13CH3] 34a_100014118770_200025704644 [0,2,0,0,0,0|1,0,1]=4 11692 B10R0.74 C=CC(=O)NCCCOCC 1626a_100000210961_100000185746 [0,2,0,0,0,0|1,0,1]=4 11693 B10R0.74 C=CC(=O)NCCCOCC 240690a_100000210961_200121576911 [0,2,0,0,0,0|1,0,1]=4 11694 B10R0.74 C=CC(=O)NCCNCCC 2230a_114873766552_100000210303 [0,2,0,0,0,0|1,0,1]=4 11695 B10R0.74 C=CC(=O)NCCOCCC 1626a_100161115042_100000185746 [0,2,0,0,0,0|1,0,1]=4 11696 B10R0.74 C=CC(=O)NCCOCCC 240690a_100161115042_200121576911 [0,2,0,0,0,0|1,0,1]=4 11697 B10R0.74 C=CC(=O)NCCOCCC 34a_100011304386_100000210303 [0,2,0,0,0,0|1,0,1]=4 11698 B10R0.74 C=CC(=O)NCCSCCC 240690a_100020603323_200121576911 [0,2,0,0,0,0|1,0,1]=4 11699 B10R0.74 C=CC(=O)NNCCCCC 22a_100000694160_100000185746 [0,2,0,0,0,0|1,0,1]=4 11700 B10R0.74 C=CC(=O)OCCOCCC 34a_100000210258_100009813456 [0,2,0,0,0,0|1,0,1]=4 11701 B10R0.74 C=CC(=O)OCCSCCC 62a_100000210303_100009813456 [0,2,0,0,0,0|1,0,1]=4 11702 B10R0.74 C=CC(=O)OCCSCCC 62a_100009813456_100000210303 [0,2,0,0,0,0|1,0,1]=4 11703 B10R0.74 C=CC(C)COCCCCC 34a_100011215527_100000718602 [0,2,0,0,0,0|1,0,1]=4 11704 B10R0.74 C=CC(C)COCCCCC 7a_100011215527_100000210326 [0,2,0,0,0,0|1,0,1]=4 11705 B10R0.74 C=CC(C)OCCCCCC 34a_100000695699_100000210314 [0,2,0,0,0,0|1,0,1]=4 11706 B10R0.74 C=CC(C)SCCCCCC 62a_100011215867_100000210757 [0,2,0,0,0,0|1,0,1]=4 11707 B10R0.74 C=CCCCCCC(=O)C=C 1458a_100000185746_100000700193 [0,2,0,0,0,0|0,0,2]=4 11708 B10R0.74 C=CCCCCCC(=O)CC 1458a_100000210414_100000700193 [0,2,0,0,0,0|0,0,1]=3 11709 B10R0.74 C=CCCCCCC(=O)CC 1458a_100011934241_100000210202 [0,2,0,0,0,0|0,0,1]=3 11710 B10R0.74 C=CCCCCCC(=O)CF 1458a_100011934241_100015361967 [0,2,0,0,0,0|0,0,1]=3 11711 B10R0.74 C=CCCCCCC(=O)CO 1458a_100000210174_100000700193 [0,2,0,0,0,0|0,0,1]=3 11712 B10R0.74 C=CCCCCCC(=O)NC 11a_106832991635_100011934241 [0,2,0,0,0,0|0,0,1]=3 11713 B10R0.74 C=CCCCCCC(=O)NC 1626a_100102657272_100011934241 [0,2,0,0,0,0|0,0,1]=3 11714 B10R0.74 C=CCCCCCC(=O)NC 240690a_100102657272_100011934241 [0,2,0,0,0,0|0,0,1]=3 11715 B10R0.74 C=CCCCCCC(=O)NC 527a_100102657272_100011934241 [0,2,0,0,0,0|0,0,1]=3 11716 B10R0.74 C=CCCCCNC(=O)CC 11a_100000703577_100000210414 [0,2,0,0,0,0|0,0,2]=4 11717 B10R0.74 C=CCCCCNC(=O)CC 1626a_100000703577_100000210414 [0,2,0,0,0,0|0,0,2]=4 11718 B10R0.74 C=CCCCCNC(=O)CC 240690a_100000703577_100000210414 [0,2,0,0,0,0|0,0,2]=4 11719 B10R0.74 C=CCCCCNC(=O)CC 527a_100000703577_100000210414 [0,2,0,0,0,0|0,0,2]=4 11720 B10R0.74 C=CCCCCNC(=O)CO 240690a_100000703577_100000210174 [0,2,0,0,0,0|0,0,2]=4 11721 B10R0.74 C=CCCCCNC(=O)CO 527a_100000703577_100000210174 [0,2,0,0,0,0|0,0,2]=4 11722 B10R0.74 C=CCCCCNC(=O)NC 2708a_100000703577_106832991635 [0,2,0,0,0,0|0,0,2]=4 11723 B10R0.74 C=CCCCCNC(=O)NC 2708a_100102657272_100000703577 [0,2,0,0,0,0|0,0,2]=4 11724 B10R0.74 C=CCCCCNC(=O)NC 273464a_100000703577_100102657272 [0,2,0,0,0,0|0,0,2]=4 11725 B10R0.74 C=CCCCCNC(=O)NC 273464a_100102657272_100000703577 [0,2,0,0,0,0|0,0,2]=4 11726 B10R0.74 C=CCCCCNC(=O)NC 512a_100000703577_100102657272 [0,2,0,0,0,0|0,0,2]=4 11727 B10R0.74 C=CCCCCNC(=O)NC 512a_106832991638_100000703577 [0,2,0,0,0,0|0,0,2]=4 11728 B10R0.74 C=CCCCNCC(=O)NC 2230a_100000693194_100011713584 [0,2,0,0,0,0|0,0,2]=4 11729 B10R0.74 C=CCCCNCC(=O)NC 2230a_100000700776_100000183359 [0,2,0,0,0,0|0,0,2]=4 11730 B10R0.74 C=CCCCNCC(=O)NC 34a_100000700776_100000183359 [0,2,0,0,0,0|0,0,2]=4 11731 B10R0.74 C=CCCCNCC(=O)OC 2230a_100000700776_100000747449 [0,2,0,0,0,0|0,0,2]=4 11732 B10R0.74 C=CCCCNCC(=O)OC 34a_100000700776_100000747449 [0,2,0,0,0,0|0,0,2]=4 11733 B10R0.74 C=CCCCOCC(=O)CC 34a_100000725409_100000757094 [0,2,0,0,0,0|0,0,2]=4 11734 B10R0.74 C=CCCCOCC(=O)CC 7a_100000758997_100000747405 [0,2,0,0,0,0|0,0,2]=4 11735 B10R0.74 C=CCCCOCC(=O)NC 34a_100000750040_100000757094 [0,2,0,0,0,0|0,0,2]=4 11736 B10R0.74 C=CCCCOCC(=O)NC 34a_100000758997_100000183359 [0,2,0,0,0,0|0,0,2]=4 11737 B10R0.74 C=CCCCOCC(=O)NC 7a_100000758997_100000183359 [0,2,0,0,0,0|0,0,2]=4 11738 B10R0.74 C=CCCCOCC(=O)OC 34a_100000758997_100000747449 [0,2,0,0,0,0|0,0,2]=4 11739 B10R0.74 C=CCCCOCC(=O)OC 7a_100000758997_100000747449 [0,2,0,0,0,0|0,0,2]=4 11740 B10R0.74 C=CCCCSCC(=O)CC 62a_100000747405_100000757094 [0,2,0,0,0,0|0,0,2]=4 11741 B10R0.74 C=CCCCSCC(=O)CC 62a_100011713584_100000747405 [0,2,0,0,0,0|0,0,2]=4 11742 B10R0.74 C=CCCCSCC(=O)NC 62a_100000183359_100000757094 [0,2,0,0,0,0|0,0,2]=4 11743 B10R0.74 C=CCCCSCC(=O)NC 62a_100011713584_100000183359 [0,2,0,0,0,0|0,0,2]=4 11744 B10R0.74 C=CCCCSCC(=O)OC 62a_100000747449_100000757094 [0,2,0,0,0,0|0,0,2]=4 11745 B10R0.74 C=CCCCSCC(=O)OC 62a_100011713584_100000747449 [0,2,0,0,0,0|0,0,2]=4 11746 B10R0.74 C=CCCNCCC(=O)NC 2230a_100000738227_100000754431 [0,2,0,0,0,0|0,0,2]=4 11747 B10R0.74 C=CCCNCCC(=O)NC 2230a_100015191253_100000737683 [0,2,0,0,0,0|0,0,2]=4 11748 B10R0.74 C=CCCNCCC(=O)NC 34a_100000738227_100000754431 [0,2,0,0,0,0|0,0,2]=4 11749 B10R0.74 C=CCCNCCC(=O)OC 2230a_100015191253_100000204255 [0,2,0,0,0,0|0,0,2]=4 11750 B10R0.74 C=CCCOCCC(=O)NC 34a_100000754576_100000754431 [0,2,0,0,0,0|0,0,2]=4 11751 B10R0.74 C=CCCOCCC(=O)NC 34a_100011205117_100012179268 [0,2,0,0,0,0|0,0,2]=4 11752 B10R0.74 C=CCCOCCC(=O)OC 34a_100011205117_100000742370 [0,2,0,0,0,0|0,0,2]=4 11753 B10R0.74 C=CCCSCCC(=O)NC 62a_100000737683_100000754431 [0,2,0,0,0,0|0,0,2]=4 11754 B10R0.74 C=CCCSCCC(=O)NC 62a_100000754431_100000737683 [0,2,0,0,0,0|0,0,2]=4 11755 B10R0.74 C=CCCSCCC(=O)OC 62a_100000204255_100000754431 [0,2,0,0,0,0|0,0,2]=4 11756 B10R0.74 C=CCCSCCC(=O)OC 62a_100000754431_100000204255 [0,2,0,0,0,0|0,0,2]=4 11757 B10R0.74 C=CCNCCCC(=O)NC 2230a_100000740002_100000210623 [0,2,0,0,0,0|0,0,2]=4 11758 B10R0.74 C=CCNCCCC(=O)NC 2230a_100020586998_100000741757 [0,2,0,0,0,0|0,0,2]=4 11759 B10R0.74 C=CCNCCCC(=O)NC 34a_100000740002_100015514636 [0,2,0,0,0,0|0,0,2]=4 11760 B10R0.74 C=CCNCCCC(=O)OC 2230a_100020586998_100011218270 [0,2,0,0,0,0|0,0,2]=4 11761 B10R0.74 C=CCOCCCC(=O)NC 34a_200000210373_100000741757 [0,2,0,0,0,0|0,0,2]=4 11762 B10R0.74 C=CCOCCCC(=O)OC 34a_200000210373_100000742333 [0,2,0,0,0,0|0,0,2]=4 11763 B10R0.74 C=CCSCCCC(=O)NC 62a_100000210623_100000741757 [0,2,0,0,0,0|0,0,2]=4 11764 B10R0.74 C=CCSCCCC(=O)NC 62a_100000741757_100000210623 [0,2,0,0,0,0|0,0,2]=4 11765 B10R0.74 C=CCSCCCC(=O)OC 62a_100000210623_100011218270 [0,2,0,0,0,0|0,0,2]=4 11766 B10R0.74 C=CCSCCCC(=O)OC 62a_100011218270_100000210623 [0,2,0,0,0,0|0,0,2]=4 11767 B10R0.74 CC#CCCOCC(=O)NC 34a_100000750427_100000183359 [0,2,0,0,0,0|0,0,2]=4 11768 B10R0.74 CC#CCCOCC(=O)OC 34a_100000750427_100000747449 [0,2,0,0,0,0|0,0,2]=4 11769 B10R0.74 CC#CCNCCC(=O)NC 2230a_100000685387_100000737683 [0,2,0,0,0,0|0,0,2]=4 11770 B10R0.74 CC#CCNCCC(=O)NC 2230a_100000738227_100000748600 [0,2,0,0,0,0|0,0,2]=4 11771 B10R0.74 CC#CCNCCC(=O)NC 34a_100000685387_100012179268 [0,2,0,0,0,0|0,0,2]=4 11772 B10R0.74 CC#CCNCCC(=O)NC 34a_100000738227_100000748600 [0,2,0,0,0,0|0,0,2]=4 11773 B10R0.74 CC#CCNCCC(=O)OC 2230a_100000685387_100000204255 [0,2,0,0,0,0|0,0,2]=4 11774 B10R0.74 CC#CCNCCC(=O)OC 34a_100000685387_100000742370 [0,2,0,0,0,0|0,0,2]=4 11775 B10R0.74 CC#CCOCCC(=O)NC 34a_100000754576_100000748600 [0,2,0,0,0,0|0,0,2]=4 11776 B10R0.74 CC#CCOCCC(=O)NC 34a_100000761923_100012179268 [0,2,0,0,0,0|0,0,2]=4 11777 B10R0.74 CC#CCOCCC(=O)OC 34a_100000761923_100000742370 [0,2,0,0,0,0|0,0,2]=4 11778 B10R0.74 CC#CCSCCC(=O)NC 62a_100000737683_100000748600 [0,2,0,0,0,0|0,0,2]=4 11779 B10R0.74 CC#CCSCCC(=O)NC 62a_100000748600_100000737683 [0,2,0,0,0,0|0,0,2]=4 11780 B10R0.74 CC#CCSCCC(=O)OC 62a_100000204255_100000748600 [0,2,0,0,0,0|0,0,2]=4 11781 B10R0.74 CC#CCSCCC(=O)OC 62a_100000748600_100000204255 [0,2,0,0,0,0|0,0,2]=4 11782 B10R0.74 CC/C=C\CNCC(=O)NC 2230a_100000693194_100103147603 [0,2,0,0,0,0|0,0,2]=4 11783 B10R0.74 CC/C=C\COCC(=O)CC 34a_100000725409_100103147603 [0,2,0,0,0,0|0,0,2]=4 11784 B10R0.74 CC/C=C\COCC(=O)NC 34a_100000750040_100103147603 [0,2,0,0,0,0|0,0,2]=4 11785 B10R0.74 CC/C=C\COCC(=O)NC 34a_100016268518_100000183359 [0,2,0,0,0,0|0,0,2]=4 11786 B10R0.74 CC/C=C\COCC(=O)OC 34a_100016268518_100000747449 [0,2,0,0,0,0|0,0,2]=4 11787 B10R0.74 CC/C=C\CSCC(=O)CC 62a_100000747405_100103147603 [0,2,0,0,0,0|0,0,2]=4 11788 B10R0.74 CC/C=C\CSCC(=O)CC 62a_100103147603_100000747405 [0,2,0,0,0,0|0,0,2]=4 11789 B10R0.74 CC/C=C\CSCC(=O)NC 62a_100000183359_100103147603 [0,2,0,0,0,0|0,0,2]=4 11790 B10R0.74 CC/C=C\CSCC(=O)NC 62a_100103147603_100000183359 [0,2,0,0,0,0|0,0,2]=4 11791 B10R0.74 CC/C=C\CSCC(=O)OC 62a_100000747449_100103147603 [0,2,0,0,0,0|0,0,2]=4 11792 B10R0.74 CC/C=C\CSCC(=O)OC 62a_100103147603_100000747449 [0,2,0,0,0,0|0,0,2]=4 11793 B10R0.74 CC=CCNCCC(=O)NC 2230a_100000738227_100000070051 [0,2,0,0,0,0|0,0,2]=4 11794 B10R0.74 CC=CCNCCC(=O)NC 34a_100000738227_100000070051 [0,2,0,0,0,0|0,0,2]=4 11795 B10R0.74 CC=CCOCCC(=O)NC 34a_100000754576_100000070051 [0,2,0,0,0,0|0,0,2]=4 11796 B10R0.74 CC=CCSCCC(=O)NC 62a_100000070051_100000737683 [0,2,0,0,0,0|0,0,2]=4 11797 B10R0.74 CC=CCSCCC(=O)NC 62a_100000737683_100000070051 [0,2,0,0,0,0|0,0,2]=4 11798 B10R0.74 CC=CCSCCC(=O)OC 62a_100000070051_100000204255 [0,2,0,0,0,0|0,0,2]=4 11799 B10R0.74 CC=CCSCCC(=O)OC 62a_100000204255_100000070051 [0,2,0,0,0,0|0,0,2]=4 11800 B10R0.74 CCC#CCNCC(=O)NC 2230a_100000693194_100009813939 [0,2,0,0,0,0|0,0,2]=4 11801 B10R0.74 CCC#CCOCC(=O)CC 34a_100000725409_100009813939 [0,2,0,0,0,0|0,0,2]=4 11802 B10R0.74 CCC#CCOCC(=O)NC 34a_100000032950_100000183359 [0,2,0,0,0,0|0,0,2]=4 11803 B10R0.74 CCC#CCOCC(=O)NC 34a_100000750040_100009813939 [0,2,0,0,0,0|0,0,2]=4 11804 B10R0.74 CCC#CCOCC(=O)OC 34a_100000032950_100000747449 [0,2,0,0,0,0|0,0,2]=4 11805 B10R0.74 CCC#CCSCC(=O)CC 62a_100000747405_100009813939 [0,2,0,0,0,0|0,0,2]=4 11806 B10R0.74 CCC#CCSCC(=O)CC 62a_100009813939_100000747405 [0,2,0,0,0,0|0,0,2]=4 11807 B10R0.74 CCC#CCSCC(=O)NC 62a_100000183359_100009813939 [0,2,0,0,0,0|0,0,2]=4 11808 B10R0.74 CCC#CCSCC(=O)NC 62a_100009813939_100000183359 [0,2,0,0,0,0|0,0,2]=4 11809 B10R0.74 CCC#CCSCC(=O)OC 62a_100000747449_100009813939 [0,2,0,0,0,0|0,0,2]=4 11810 B10R0.74 CCC#CCSCC(=O)OC 62a_100009813939_100000747449 [0,2,0,0,0,0|0,0,2]=4 11811 B10R0.74 CCC(=O)CCCCCC#N 1458a_100000210414_100009813376 [0,2,0,0,0,0|0,0,1]=3 11812 B10R0.74 CCC(=O)CCCCCCF 1458a_100000210414_100015922095 [0,2,0,0,0,0|0,0,0]=2 11813 B10R0.74 CCC(=O)CCCCCCO 1458a_100000210414_100000766143 [0,2,0,0,0,0|0,0,0]=2 11814 B10R0.74 CCC(=O)CCCCCCO 1458a_100011996774_100000210202 [0,2,0,0,0,0|0,0,0]=2 11815 B10R0.74 CCC(=O)CCCCCOC 1458a_100011935119_100000210202 [0,2,0,0,0,0|0,0,0]=2 11816 B10R0.74 CCC(=O)CCCCN=[N+]=[N-] 1458a_100000070148_100000210202 [0,2,0,0,0,0|2,0,0]=4 11817 B10R0.74 CCC(=O)CCOCCOC 1458a_100000210414_100000695917 [0,2,0,0,0,0|1,0,0]=3 11818 B10R0.74 CCC(=O)CCOCCOC 1458a_100000745395_100000210202 [0,2,0,0,0,0|1,0,0]=3 11819 B10R0.74 CCC(=O)COCCCCCl 7a_100000210776_100000747405 [0,2,0,0,0,0|1,0,0]=3 11820 B10R0.74 CCC(=O)COCCCCF 34a_100000725409_100000729493 [0,2,0,0,0,0|1,0,0]=3 11821 B10R0.74 CCC(=O)COCCCCF 7a_100011995726_100000747405 [0,2,0,0,0,0|1,0,0]=3 11822 B10R0.74 CCC(=O)COCCCCO 34a_100000725409_100011216708 [0,2,0,0,0,0|1,0,0]=3 11823 B10R0.74 CCC(=O)COCCCOC 34a_100000725409_100000740836 [0,2,0,0,0,0|1,0,0]=3 11824 B10R0.74 CCC(=O)COCCCSC 7a_100000690336_100000747405 [0,2,0,0,0,0|1,0,0]=3 11825 B10R0.74 CCC(=O)CSCCCC#N 62a_100000687738_100000747405 [0,2,0,0,0,0|1,0,1]=4 11826 B10R0.74 CCC(=O)CSCCCC#N 62a_100000747405_100000687738 [0,2,0,0,0,0|1,0,1]=4 11827 B10R0.74 CCC(=O)CSCCCC=O 62a_100000747405_200011292268 [0,2,0,0,0,0|1,0,1]=4 11828 B10R0.74 CCC(=O)CSCCCC=O 62a_200011292268_100000747405 [0,2,0,0,0,0|1,0,1]=4 11829 B10R0.74 CCC(=O)CSCCCCF 62a_100000729493_100000747405 [0,2,0,0,0,0|1,0,0]=3 11830 B10R0.74 CCC(=O)CSCCCCF 62a_100000747405_100000729493 [0,2,0,0,0,0|1,0,0]=3 11831 B10R0.74 CCC(=O)CSCCCCO 62a_100000210776_100000747405 [0,2,0,0,0,0|1,0,0]=3 11832 B10R0.74 CCC(=O)CSCCCCO 62a_100000747405_100000210776 [0,2,0,0,0,0|1,0,0]=3 11833 B10R0.74 CCC(=O)CSCCCOC 62a_100000709357_100000747405 [0,2,0,0,0,0|1,0,0]=3 11834 B10R0.74 CCC(=O)CSCCCOC 62a_100000747405_100000709357 [0,2,0,0,0,0|1,0,0]=3 11835 B10R0.74 CCC(=O)NCCCCC#N 11a_100000751965_100000210414 [0,2,0,0,0,0|1,0,1]=4 11836 B10R0.74 CCC(=O)NCCCCC#N 1626a_100000751965_100000210414 [0,2,0,0,0,0|1,0,1]=4 11837 B10R0.74 CCC(=O)NCCCCC#N 240690a_100000751965_100000210414 [0,2,0,0,0,0|1,0,1]=4 11838 B10R0.74 CCC(=O)NCCCCC#N 527a_100000751965_100000210414 [0,2,0,0,0,0|1,0,1]=4 11839 B10R0.74 CCC(=O)NCCCCCO 240690a_100000762737_100000210414 [0,2,0,0,0,0|1,0,0]=3 11840 B10R0.74 CCC(=O)NCCNCCF 34a_100132302217_100011217306 [0,2,0,0,0,0|2,0,0]=4 11841 B10R0.74 CCC(=O)NCCNCCO 34a_100132302217_100000211926 [0,2,0,0,0,0|2,0,0]=4 11842 B10R0.74 CCC(=O)NCCNCSC 34a_100132302217_100011218213 [0,2,0,0,0,0|2,0,0]=4 11843 B10R0.74 CCC(=O)NCCOCCF 34a_200000158885_100011217306 [0,2,0,0,0,0|2,0,0]=4 11844 B10R0.74 CCC(=O)NCCOCCF 7a_200000158885_100011217306 [0,2,0,0,0,0|2,0,0]=4 11845 B10R0.74 CCC(=O)NCCOCCO 240690a_100000211614_100000210414 [0,2,0,0,0,0|2,0,0]=4 11846 B10R0.74 CCC(=O)NCCOCCO 34a_200000158885_100000211926 [0,2,0,0,0,0|2,0,0]=4 11847 B10R0.74 CCC(=O)NCCOCCO 7a_200000158885_100000211926 [0,2,0,0,0,0|2,0,0]=4 11848 B10R0.74 CCC(=O)NCCOCSC 34a_200000158885_100011218213 [0,2,0,0,0,0|2,0,0]=4 11849 B10R0.74 CCC(=O)NCCSCCO 240690a_100011219999_100000210414 [0,2,0,0,0,0|2,0,0]=4 11850 B10R0.74 CCC(=O)NCCSCCO 527a_100011219999_100000210414 [0,2,0,0,0,0|2,0,0]=4 11851 B10R0.74 CCC(=O)NNCCCOC 22a_100025702787_100000210414 [0,2,0,0,0,0|2,0,0]=4 11852 B10R0.74 CCC(=O)OCCOCCF 7a_200000031056_100011217306 [0,2,0,0,0,0|2,0,0]=4 11853 B10R0.74 CCC(=O)OCCOCCO 7a_200000031056_100000211926 [0,2,0,0,0,0|2,0,0]=4 11854 B10R0.74 CCC(C)CCCCCOC 7a_200000035636_200000210301 [0,2,0,0,0,0|1,0,1]=4 11855 B10R0.74 CCC(C)CCCCCO[13CH3] 7a_200000035636_200025704644 [0,2,0,0,0,0|1,0,1]=4 11856 B10R0.74 CCCC/C=C/CC(=O)CC 1458a_200016282684_100000210202 [0,2,0,0,0,0|0,0,1]=3 11857 B10R0.74 CCCC/C=C/CC(=O)CF 1458a_200016282684_100015361967 [0,2,0,0,0,0|0,0,1]=3 11858 B10R0.74 CCCC/C=C/CC(=O)NC 11a_106832991635_200016282684 [0,2,0,0,0,0|0,0,1]=3 11859 B10R0.74 CCCC/C=C/CC(=O)NC 1626a_100102657272_200016282684 [0,2,0,0,0,0|0,0,1]=3 11860 B10R0.74 CCCC/C=C/CC(=O)NC 240690a_100102657272_200016282684 [0,2,0,0,0,0|0,0,1]=3 11861 B10R0.74 CCCC/C=C/CC(=O)NC 527a_100102657272_200016282684 [0,2,0,0,0,0|0,0,1]=3 11862 B10R0.74 CCCCC=NNC(=O)CC 4a_100000183195_100000210104 [0,2,0,0,0,0|1,0,1]=4 11863 B10R0.74 CCCCCC#CC(=O)CC 1458a_100011215388_100000210202 [0,2,0,0,0,0|0,0,1]=3 11864 B10R0.74 CCCCCC#CC(=O)CF 1458a_100011215388_100015361967 [0,2,0,0,0,0|0,0,1]=3 11865 B10R0.74 CCCCCC#CC(=O)NC 240690a_100102657272_100011215388 [0,2,0,0,0,0|0,0,1]=3 11866 B10R0.74 CCCCCC=CC(=O)CC 1458a_100016263427_100000210202 [0,2,0,0,0,0|0,0,1]=3 11867 B10R0.74 CCCCCC=CC(=O)CF 1458a_100016263427_100015361967 [0,2,0,0,0,0|0,0,1]=3 11868 B10R0.74 CCCCCC=CC(=O)NC 11a_106832991635_100016263427 [0,2,0,0,0,0|0,0,1]=3 11869 B10R0.74 CCCCCC=CC(=O)NC 1626a_100102657272_100016263427 [0,2,0,0,0,0|0,0,1]=3 11870 B10R0.74 CCCCCC=CC(=O)NC 240690a_100102657272_100016263427 [0,2,0,0,0,0|0,0,1]=3 11871 B10R0.74 CCCCCCCC(=O)CC 1458a_100000210414_100000210614 [0,2,0,0,0,0|0,0,0]=2 11872 B10R0.74 CCCCCCCC(=O)CC 1458a_100000211969_100000210202 [0,2,0,0,0,0|0,0,0]=2 11873 B10R0.74 CCCCCCCC(=O)CF 1458a_100000211969_100015361967 [0,2,0,0,0,0|0,0,0]=2 11874 B10R0.74 CCCCCCCC(=O)CO 1458a_100000210174_100000210614 [0,2,0,0,0,0|0,0,0]=2 11875 B10R0.74 CCCCCCCC(=O)NC 11a_106832991635_100000211969 [0,2,0,0,0,0|0,0,0]=2 11876 B10R0.74 CCCCCCCC(=O)NC 1626a_100102657272_100000211969 [0,2,0,0,0,0|0,0,0]=2 11877 B10R0.74 CCCCCCCC(=O)NC 240690a_100102657272_100000211969 [0,2,0,0,0,0|0,0,0]=2 11878 B10R0.74 CCCCCCCC(=O)NC 527a_100102657272_100000211969 [0,2,0,0,0,0|0,0,0]=2 11879 B10R0.74 CCCCCCCC(C)NC 2230a_106832991635_200011218727 [0,2,0,0,0,0|1,0,1]=4 11880 B10R0.74 CCCCCCCC(C)NC 270004a_106832991635_100000210596 [0,2,0,0,0,0|1,0,1]=4 11881 B10R0.74 CCCCCCCC(C)NC 34a_100102657272_200011218727 [0,2,0,0,0,0|1,0,1]=4 11882 B10R0.74 CCCCCCCC(C)NC 7a_106832991635_200011218727 [0,2,0,0,0,0|1,0,1]=4 11883 B10R0.74 CCCCCCCC(C)OC 34a_100138415774_200011218727 [0,2,0,0,0,0|0,0,2]=4 11884 B10R0.74 CCCCCCCC(C)OC 34a_200011215852_200000210301 [0,2,0,0,0,0|0,0,2]=4 11885 B10R0.74 CCCCCCCC(C)OC 7a_200011215852_200000210301 [0,2,0,0,0,0|0,0,2]=4 11886 B10R0.74 CCCCCCCC(C)O[13CH3] 34a_200011215852_200025704644 [0,2,0,0,0,0|0,0,2]=4 11887 B10R0.74 CCCCCCCC(C)O[13CH3] 7a_200011215852_200025704644 [0,2,0,0,0,0|0,0,2]=4 11888 B10R0.74 CCCCCCCC(C)SC 62a_200000210301_200011218727 [0,2,0,0,0,0|0,1,1]=4 11889 B10R0.74 CCCCCCCC(C)SC 62a_200011218727_200000210301 [0,2,0,0,0,0|0,1,1]=4 11890 B10R0.74 CCCCCCCC(C)S[13CH3] 62a_200011218727_200025704644 [0,2,0,0,0,0|0,1,1]=4 11891 B10R0.74 CCCCCCCC(C)S[13CH3] 62a_200025704644_200011218727 [0,2,0,0,0,0|0,1,1]=4 11892 B10R0.74 CCCCCCCN(C)CC 2230a_100000225621_100000210681 [0,2,0,0,0,0|2,0,0]=4 11893 B10R0.74 CCCCCCCN(C)CC 2230a_100000228206_100000210202 [0,2,0,0,0,0|2,0,0]=4 11894 B10R0.74 CCCCCCCN(C)CC 2230a_100000228213_200000210301 [0,2,0,0,0,0|2,0,0]=4 11895 B10R0.74 CCCCCCCN(C)CC 269982a_100000225621_100000210681 [0,2,0,0,0,0|2,0,0]=4 11896 B10R0.74 CCCCCCCN(C)CC 269982a_100000228206_100000204670 [0,2,0,0,0,0|2,0,0]=4 11897 B10R0.74 CCCCCCCN(C)CC 269982a_100000228213_200000210301 [0,2,0,0,0,0|2,0,0]=4 11898 B10R0.74 CCCCCCCN(C)CF 269982a_100000228206_100015361967 [0,2,0,0,0,0|2,0,0]=4 11899 B10R0.74 CCCCCCCN([13CH3])CC 2230a_100000228213_200025704644 [0,2,0,0,0,0|2,0,0]=4 11900 B10R0.74 CCCCCCCN([13CH3])CC 269982a_100000228213_200025704644 [0,2,0,0,0,0|2,0,0]=4 11901 B10R0.74 CCCCCCNC(=O)CC 11a_100000210581_100000210414 [0,2,0,0,0,0|0,0,0]=2 11902 B10R0.74 CCCCCCNC(=O)CC 1626a_100000210581_100000210414 [0,2,0,0,0,0|0,0,0]=2 11903 B10R0.74 CCCCCCNC(=O)CC 240690a_100000210581_100000210414 [0,2,0,0,0,0|0,0,0]=2 11904 B10R0.74 CCCCCCNC(=O)CC 527a_100000210581_100000210414 [0,2,0,0,0,0|0,0,0]=2 11905 B10R0.74 CCCCCCNC(=O)CO 240690a_100000210581_100000210174 [0,2,0,0,0,0|0,0,0]=2 11906 B10R0.74 CCCCCCNC(=O)CO 527a_100000210581_100000210174 [0,2,0,0,0,0|0,0,0]=2 11907 B10R0.74 CCCCCCNC(=O)NC 2708a_100000210581_106832991635 [0,2,0,0,0,0|0,0,0]=2 11908 B10R0.74 CCCCCCNC(=O)NC 2708a_100102657272_100000210581 [0,2,0,0,0,0|0,0,0]=2 11909 B10R0.74 CCCCCCNC(=O)NC 273464a_100000210581_100102657272 [0,2,0,0,0,0|0,0,0]=2 11910 B10R0.74 CCCCCCNC(=O)NC 273464a_100102657272_100000210581 [0,2,0,0,0,0|0,0,0]=2 11911 B10R0.74 CCCCCCNC(=O)NC 512a_100000210581_100102657272 [0,2,0,0,0,0|0,0,0]=2 11912 B10R0.74 CCCCCCNC(=O)NC 512a_106832991638_100000210581 [0,2,0,0,0,0|0,0,0]=2 11913 B10R0.74 CCCCCCNC(C)C#N 2230a_100000210581_100000184139 [0,2,0,0,0,0|1,0,1]=4 11914 B10R0.74 CCCCCCNC(C)C#N 2230a_100000737613_100000210314 [0,2,0,0,0,0|1,0,1]=4 11915 B10R0.74 CCCCCCNC(C)CC 2230a_100000209981_100000210314 [0,2,0,0,0,0|1,0,1]=4 11916 B10R0.74 CCCCCCNC(C)CC 2230a_100000210581_100000758301 [0,2,0,0,0,0|1,0,1]=4 11917 B10R0.74 CCCCCCNC(C)CO 2230a_100000210581_100012180447 [0,2,0,0,0,0|0,0,2]=4 11918 B10R0.74 CCCCCCN[C@H](C)CO 2230a_100000737577_100000210314 [0,2,0,0,0,0|0,0,2]=4 11919 B10R0.74 CCCCCCOC(C)C#N 34a_100011218135_100000210314 [0,2,0,0,0,0|1,0,1]=4 11920 B10R0.74 CCCCCCOC(C)C#N 7a_100000210259_100000703298 [0,2,0,0,0,0|1,0,1]=4 11921 B10R0.74 CCCCCCOC(C)CC 34a_100000210259_100011215416 [0,2,0,0,0,0|1,0,1]=4 11922 B10R0.74 CCCCCCOC(C)CC 7a_100000210228_100000210314 [0,2,0,0,0,0|1,0,1]=4 11923 B10R0.74 CCCCCCOC(C)CC 7a_100000210259_100000758301 [0,2,0,0,0,0|1,0,1]=4 11924 B10R0.74 CCCCCCOC(C)CF 34a_100016041109_100000210314 [0,2,0,0,0,0|1,0,1]=4 11925 B10R0.74 CCCCCCOC(C)CF 7a_100016041109_100000210314 [0,2,0,0,0,0|1,0,1]=4 11926 B10R0.74 CCCCCCOC(C)CN 34a_100000210904_100000210314 [0,2,0,0,0,0|1,0,1]=4 11927 B10R0.74 CCCCCCOC(C)CO 34a_100000210259_100012180447 [0,2,0,0,0,0|0,0,2]=4 11928 B10R0.74 CCCCCCOC(C)CO 7a_100000210259_100012180447 [0,2,0,0,0,0|0,0,2]=4 11929 B10R0.74 CCCCCCSC(C)C#N 62a_100000210314_100000703298 [0,2,0,0,0,0|1,0,1]=4 11930 B10R0.74 CCCCCCSC(C)C#N 62a_100000703298_100000210757 [0,2,0,0,0,0|1,0,1]=4 11931 B10R0.74 CCCCCCSC(C)CC 62a_100000210314_100000758301 [0,2,0,0,0,0|1,0,1]=4 11932 B10R0.74 CCCCCCSC(C)CC 62a_100000758301_100000210757 [0,2,0,0,0,0|1,0,1]=4 11933 B10R0.74 CCCCCCSC(C)CO 62a_100012180447_100000210757 [0,2,0,0,0,0|0,0,2]=4 11934 B10R0.74 CCCCCCSC(C)OC 62a_100000210314_100009879195 [0,2,0,0,0,0|0,0,2]=4 11935 B10R0.74 CCCCCCSC(C)OC 62a_100009879195_100000210757 [0,2,0,0,0,0|0,0,2]=4 11936 B10R0.74 CCCCCCS[C@H](C)CO 62a_100000210314_100016084084 [0,2,0,0,0,0|0,0,2]=4 11937 B10R0.74 CCCCCCS[C@H](C)CO 62a_100016084084_100000210757 [0,2,0,0,0,0|0,0,2]=4 11938 B10R0.74 CCCCCNCC(=O)NC 2230a_100000209983_100000183359 [0,2,0,0,0,0|0,0,0]=2 11939 B10R0.74 CCCCCNCC(=O)NC 2230a_100000693194_100000210326 [0,2,0,0,0,0|0,0,0]=2 11940 B10R0.74 CCCCCNCC(=O)OC 2230a_100000209983_100000747449 [0,2,0,0,0,0|0,0,0]=2 11941 B10R0.74 CCCCCNCC(C)CC 2230a_100000209983_100000748023 [0,2,0,0,0,0|1,0,1]=4 11942 B10R0.74 CCCCCNCC(C)CC 2230a_100020588543_100000210326 [0,2,0,0,0,0|1,0,1]=4 11943 B10R0.74 CCCCCNCC(C)CC 270004a_100000209983_100000243153 [0,2,0,0,0,0|1,0,1]=4 11944 B10R0.74 CCCCCNCC(C)CO 34a_100000744482_100000718602 [0,2,0,0,0,0|0,0,2]=4 11945 B10R0.74 CCCCCNCC(O)CC 2230a_100000209983_100011218378 [0,2,0,0,0,0|0,0,2]=4 11946 B10R0.74 CCCCCNCC(O)CC 2230a_100011218483_100000210326 [0,2,0,0,0,0|0,0,2]=4 11947 B10R0.74 CCCCCNCC(O)CO 2230a_100000209983_100011219619 [0,2,0,0,0,0|0,0,2]=4 11948 B10R0.74 CCCCCNC[C@@H](C)CC 2230a_100000209983_100009816398 [0,2,0,0,0,0|1,0,1]=4 11949 B10R0.74 CCCCCNC[C@@H](C)CO 2230a_100000209983_100000059175 [0,2,0,0,0,0|0,0,2]=4 11950 B10R0.74 CCCCCNC[C@@H](C)OC 2230a_100020591295_100000210326 [0,2,0,0,0,0|0,0,2]=4 11951 B10R0.74 CCCCCNC[C@@H](F)CO 34a_100015665980_100000718602 [0,2,0,0,0,0|1,0,1]=4 11952 B10R0.74 CCCCCNC[C@@H](O)CF 2230a_100000209983_100015614560 [0,2,0,0,0,0|0,0,2]=4 11953 B10R0.74 CCCCCNC[C@@H](O)CO 2230a_100000209983_100009815848 [0,2,0,0,0,0|0,0,2]=4 11954 B10R0.74 CCCCCNC[C@H](O)CO 2230a_100020644852_100000210326 [0,2,0,0,0,0|0,0,2]=4 11955 B10R0.74 CCCCCNN=C(C)CF 4a_100000694160_100000039719 [0,2,0,0,0,0|2,0,0]=4 11956 B10R0.74 CCCCCNN=C(C)CO 4a_100000694160_100000211253 [0,2,0,0,0,0|1,0,1]=4 11957 B10R0.74 CCCCCNNC(=O)CC 22a_100000694160_100000210414 [0,2,0,0,0,0|1,0,0]=3 11958 B10R0.74 CCCCCNNC(=O)CO 22a_100000694160_100000210174 [0,2,0,0,0,0|1,0,0]=3 11959 B10R0.74 CCCCCNNC(=O)NC 273464a_100102657272_100000694160 [0,2,0,0,0,0|1,0,0]=3 11960 B10R0.74 CCCCCNNC(=O)NC 512a_100000694160_100102657272 [0,2,0,0,0,0|1,0,0]=3 11961 B10R0.74 CCCCCNNC(=O)NC 512a_106832991638_100000694160 [0,2,0,0,0,0|1,0,0]=3 11962 B10R0.74 CCCCCOCC(=O)CC 34a_100000725409_100000718602 [0,2,0,0,0,0|0,0,0]=2 11963 B10R0.74 CCCCCOCC(=O)CC 7a_100000210253_100000747405 [0,2,0,0,0,0|0,0,0]=2 11964 B10R0.74 CCCCCOCC(=O)NC 34a_100000210253_100000183359 [0,2,0,0,0,0|0,0,0]=2 11965 B10R0.74 CCCCCOCC(=O)NC 34a_100000750040_100000718602 [0,2,0,0,0,0|0,0,0]=2 11966 B10R0.74 CCCCCOCC(=O)NC 7a_100000210253_100000183359 [0,2,0,0,0,0|0,0,0]=2 11967 B10R0.74 CCCCCOCC(=O)OC 34a_100000210253_100000747449 [0,2,0,0,0,0|0,0,0]=2 11968 B10R0.74 CCCCCOCC(=O)OC 7a_100000210253_100000747449 [0,2,0,0,0,0|0,0,0]=2 11969 B10R0.74 CCCCCOCC(C)CC 34a_100000210253_100000748023 [0,2,0,0,0,0|1,0,1]=4 11970 B10R0.74 CCCCCOCC(C)CC 7a_100000210253_100000748023 [0,2,0,0,0,0|1,0,1]=4 11971 B10R0.74 CCCCCOCC(C)CN 34a_100000744482_100000718602 [0,2,0,0,0,0|1,0,1]=4 11972 B10R0.74 CCCCCOCC(C)OC 34a_100000690652_100000718602 [0,2,0,0,0,0|0,0,2]=4 11973 B10R0.74 CCCCCOCC(Cl)CCl 34a_100000033668_100000718602 [0,2,0,0,0,0|1,0,1]=4 11974 B10R0.74 CCCCCOCC(O)CC 34a_100000210253_100011218378 [0,2,0,0,0,0|0,0,2]=4 11975 B10R0.74 CCCCCOCC(O)CC 7a_100000210253_100011218378 [0,2,0,0,0,0|0,0,2]=4 11976 B10R0.74 CCCCCOCC(O)CO 34a_100000210253_100011219619 [0,2,0,0,0,0|0,0,2]=4 11977 B10R0.74 CCCCCOCC(O)CO 7a_100000210253_100011219619 [0,2,0,0,0,0|0,0,2]=4 11978 B10R0.74 CCCCCOC[C@@H](C)CC 34a_100000210253_100009816398 [0,2,0,0,0,0|1,0,1]=4 11979 B10R0.74 CCCCCOC[C@@H](C)CC 7a_100000210253_100009816398 [0,2,0,0,0,0|1,0,1]=4 11980 B10R0.74 CCCCCOC[C@@H](C)CC 7a_100009816381_100000210326 [0,2,0,0,0,0|1,0,1]=4 11981 B10R0.74 CCCCCOC[C@@H](C)CO 34a_100000210253_100000059175 [0,2,0,0,0,0|0,0,2]=4 11982 B10R0.74 CCCCCOC[C@@H](C)CO 7a_100000210253_100000059175 [0,2,0,0,0,0|0,0,2]=4 11983 B10R0.74 CCCCCOC[C@@H](O)CF 34a_100000210253_100015614560 [0,2,0,0,0,0|0,0,2]=4 11984 B10R0.74 CCCCCOC[C@@H](O)CF 7a_100000210253_100015614560 [0,2,0,0,0,0|0,0,2]=4 11985 B10R0.74 CCCCCOC[C@@H](O)CO 34a_100000210253_100009815848 [0,2,0,0,0,0|0,0,2]=4 11986 B10R0.74 CCCCCOC[C@@H](O)CO 7a_100000210253_100009815848 [0,2,0,0,0,0|0,0,2]=4 11987 B10R0.74 CCCCCOC[C@H](F)CN 34a_100015665980_100000718602 [0,2,0,0,0,0|1,0,1]=4 11988 B10R0.74 CCCCCSCC(=O)CC 62a_100000210326_100000747405 [0,2,0,0,0,0|0,0,0]=2 11989 B10R0.74 CCCCCSCC(=O)CC 62a_100000747405_100000210326 [0,2,0,0,0,0|0,0,0]=2 11990 B10R0.74 CCCCCSCC(=O)NC 62a_100000183359_100000210326 [0,2,0,0,0,0|0,0,0]=2 11991 B10R0.74 CCCCCSCC(=O)NC 62a_100000210326_100000183359 [0,2,0,0,0,0|0,0,0]=2 11992 B10R0.74 CCCCCSCC(=O)OC 62a_100000210326_100000747449 [0,2,0,0,0,0|0,0,0]=2 11993 B10R0.74 CCCCCSCC(=O)OC 62a_100000747449_100000210326 [0,2,0,0,0,0|0,0,0]=2 11994 B10R0.74 CCCCCSCC(C)CC 62a_100000210326_100000748023 [0,2,0,0,0,0|1,0,1]=4 11995 B10R0.74 CCCCCSCC(C)CC 62a_100000748023_100000210326 [0,2,0,0,0,0|1,0,1]=4 11996 B10R0.74 CCCCCSCC(O)CC 62a_100000210326_100011218378 [0,2,0,0,0,0|0,0,2]=4 11997 B10R0.74 CCCCCSCC(O)CC 62a_100011218378_100000210326 [0,2,0,0,0,0|0,0,2]=4 11998 B10R0.74 CCCCCSCC(O)CO 62a_100000210326_100011219619 [0,2,0,0,0,0|0,0,2]=4 11999 B10R0.74 CCCCCSCC(O)CO 62a_100011219619_100000210326 [0,2,0,0,0,0|0,0,2]=4 12000 B10R0.74 CCCCCSC[C@@H](C)CC 62a_100000210326_100009816398 [0,2,0,0,0,0|1,0,1]=4 12001 B10R0.74 CCCCCSC[C@@H](C)CC 62a_100009816398_100000210326 [0,2,0,0,0,0|1,0,1]=4 12002 B10R0.74 CCCCCSC[C@@H](C)CO 62a_100000059175_100000210326 [0,2,0,0,0,0|0,0,2]=4 12003 B10R0.74 CCCCCSC[C@@H](C)CO 62a_100000210326_100000059175 [0,2,0,0,0,0|0,0,2]=4 12004 B10R0.74 CCCCCSC[C@@H](O)CF 62a_100000210326_100015614560 [0,2,0,0,0,0|0,0,2]=4 12005 B10R0.74 CCCCCSC[C@@H](O)CF 62a_100015614560_100000210326 [0,2,0,0,0,0|0,0,2]=4 12006 B10R0.74 CCCCCSC[C@@H](O)CO 62a_100000210326_100009815848 [0,2,0,0,0,0|0,0,2]=4 12007 B10R0.74 CCCCCSC[C@@H](O)CO 62a_100009815848_100000210326 [0,2,0,0,0,0|0,0,2]=4 12008 B10R0.74 CCCCNCCC(=O)NC 2230a_100000102301_100000737683 [0,2,0,0,0,0|0,0,0]=2 12009 B10R0.74 CCCCNCCC(=O)NC 2230a_100000738227_100000210211 [0,2,0,0,0,0|0,0,0]=2 12010 B10R0.74 CCCCNCCC(=O)NC 34a_100000738227_100000210210 [0,2,0,0,0,0|0,0,0]=2 12011 B10R0.74 CCCCNCCC(=O)NC 7a_106832991798_100000737683 [0,2,0,0,0,0|0,0,0]=2 12012 B10R0.74 CCCCNCCC(=O)OC 2230a_100000102301_100000204255 [0,2,0,0,0,0|0,0,0]=2 12013 B10R0.74 CCCCNCCC(=O)OC 7a_106832991798_100000204255 [0,2,0,0,0,0|0,0,0]=2 12014 B10R0.74 CCCCNCCC(C)CC 2230a_100020591266_100000210211 [0,2,0,0,0,0|1,0,1]=4 12015 B10R0.74 CCCCNCCC(C)CO 2230a_106354213184_100000210211 [0,2,0,0,0,0|0,0,2]=4 12016 B10R0.74 CCCCNCCC(C)CO 34a_106354213184_100000210210 [0,2,0,0,0,0|0,0,2]=4 12017 B10R0.74 CCCCNN=CC(=O)OC 4a_100025702795_200011823558 [0,2,0,0,0,0|1,0,1]=4 12018 B10R0.74 CCCCOCCC(=NO)N 34a_100000749954_100000210210 [0,2,0,0,0,0|1,0,1]=4 12019 B10R0.74 CCCCOCCC(=O)CC 1458a_100000210414_100000743108 [0,2,0,0,0,0|0,0,0]=2 12020 B10R0.74 CCCCOCCC(=O)CO 1458a_100000210174_100000743108 [0,2,0,0,0,0|0,0,0]=2 12021 B10R0.74 CCCCOCCC(=O)NC 34a_100000210227_100012179268 [0,2,0,0,0,0|0,0,0]=2 12022 B10R0.74 CCCCOCCC(=O)NC 34a_100000754576_100000210210 [0,2,0,0,0,0|0,0,0]=2 12023 B10R0.74 CCCCOCCC(=O)NC 7a_100000210227_100000737683 [0,2,0,0,0,0|0,0,0]=2 12024 B10R0.74 CCCCOCCC(=O)OC 34a_100000210227_100000742370 [0,2,0,0,0,0|0,0,0]=2 12025 B10R0.74 CCCCOCCC(=O)OC 7a_100000210227_100000204255 [0,2,0,0,0,0|0,0,0]=2 12026 B10R0.74 CCCCOCCC(C)CC 7a_100011215188_100000210211 [0,2,0,0,0,0|1,0,1]=4 12027 B10R0.74 CCCCOCCC(C)OC 7a_100000764861_100000210211 [0,2,0,0,0,0|0,0,2]=4 12028 B10R0.74 CCCCOCCN(C)CC 2230a_100000225621_100000743108 [0,2,0,0,0,0|2,0,0]=4 12029 B10R0.74 CCCCOCCN(C)CC 269982a_100000225621_100000743108 [0,2,0,0,0,0|2,0,0]=4 12030 B10R0.74 CCCCSCCC(=O)NC 62a_100000210211_100000737683 [0,2,0,0,0,0|0,0,0]=2 12031 B10R0.74 CCCCSCCC(=O)NC 62a_100000737683_100000210210 [0,2,0,0,0,0|0,0,0]=2 12032 B10R0.74 CCCCSCCC(=O)OC 62a_100000204255_100000210210 [0,2,0,0,0,0|0,0,0]=2 12033 B10R0.74 CCCCSCCC(=O)OC 62a_100000210211_100000204255 [0,2,0,0,0,0|0,0,0]=2 12034 B10R0.74 CCCCSCOC(=O)OC 62a_100000210211_100000139417 [0,2,0,0,0,0|1,0,0]=3 12035 B10R0.74 CCCNCCCC(=O)NC 2230a_100000740002_100000210303 [0,2,0,0,0,0|0,0,0]=2 12036 B10R0.74 CCCNCCCC(=O)NC 34a_100000740002_100000210303 [0,2,0,0,0,0|0,0,0]=2 12037 B10R0.74 CCCNCCNC(=O)CC 34a_100132302217_100000210303 [0,2,0,0,0,0|1,0,0]=3 12038 B10R0.74 CCCNCCNC(=O)NC 34a_100015205895_100000210303 [0,2,0,0,0,0|1,0,0]=3 12039 B10R0.74 CCCNN=CCC(=O)OC 4a_100000740057_200011552997 [0,2,0,0,0,0|1,0,1]=4 12040 B10R0.74 CCCOC/C=C/C(=O)OC 34a_100000210258_100000742655 [0,2,0,0,0,0|0,0,2]=4 12041 B10R0.74 CCCOCCCC(=O)NC 34a_100000210258_100000741757 [0,2,0,0,0,0|0,0,0]=2 12042 B10R0.74 CCCOCCCC(=O)NN 34a_100000211488_100000210303 [0,2,0,0,0,0|1,0,0]=3 12043 B10R0.74 CCCOCCCC(=O)OC 34a_100000210258_100000742333 [0,2,0,0,0,0|0,0,0]=2 12044 B10R0.74 CCCOCCCC(C)CC 7a_100011216074_100000210303 [0,2,0,0,0,0|1,0,1]=4 12045 B10R0.74 CCCOCCC[C@@H](C)CN 34a_100160569302_100000210303 [0,2,0,0,0,0|1,0,1]=4 12046 B10R0.74 CCCOCCNC(=O)CC 1626a_100161115042_100000210414 [0,2,0,0,0,0|1,0,0]=3 12047 B10R0.74 CCCOCCNC(=O)CC 240690a_100161115042_100000210414 [0,2,0,0,0,0|1,0,0]=3 12048 B10R0.74 CCCOCCNC(=O)CC 34a_200000158885_100000210303 [0,2,0,0,0,0|1,0,0]=3 12049 B10R0.74 CCCOCCNC(=O)CC 527a_100161115042_100000210414 [0,2,0,0,0,0|1,0,0]=3 12050 B10R0.74 CCCOCCNC(=O)CC 7a_200000158885_100000210303 [0,2,0,0,0,0|1,0,0]=3 12051 B10R0.74 CCCOCCNC(=O)CO 240690a_100161115042_100000210174 [0,2,0,0,0,0|1,0,0]=3 12052 B10R0.74 CCCOCCNC(=O)CO 527a_100161115042_100000210174 [0,2,0,0,0,0|1,0,0]=3 12053 B10R0.74 CCCOCCNC(=O)NC 2708a_100102657272_100161115042 [0,2,0,0,0,0|1,0,0]=3 12054 B10R0.74 CCCOCCNC(=O)NC 2708a_100161115042_106832991635 [0,2,0,0,0,0|1,0,0]=3 12055 B10R0.74 CCCOCCNC(=O)NC 273464a_100102657272_100161115042 [0,2,0,0,0,0|1,0,0]=3 12056 B10R0.74 CCCOCCNC(=O)NC 273464a_100161115042_100102657272 [0,2,0,0,0,0|1,0,0]=3 12057 B10R0.74 CCCOCCNC(=O)NC 512a_100161115042_100102657272 [0,2,0,0,0,0|1,0,0]=3 12058 B10R0.74 CCCOCCNC(=O)NC 512a_106832991638_100161115042 [0,2,0,0,0,0|1,0,0]=3 12059 B10R0.74 CCCOCCNC(=O)OC 34a_100000757965_100000210303 [0,2,0,0,0,0|1,0,0]=3 12060 B10R0.74 CCCOCCOC(=O)CC 7a_200000031056_100000210303 [0,2,0,0,0,0|1,0,0]=3 12061 B10R0.74 CCCOCCOC(=O)NC 34a_100000210258_200011997002 [0,2,0,0,0,0|1,0,0]=3 12062 B10R0.74 CCCOCCOC(=O)OC 34a_100010262106_100000210303 [0,2,0,0,0,0|1,0,0]=3 12063 B10R0.74 CCCSC/C=C/C(=O)OC 62a_100000210303_100000742655 [0,2,0,0,0,0|0,0,2]=4 12064 B10R0.74 CCCSC/C=C/C(=O)OC 62a_100000742655_100000210303 [0,2,0,0,0,0|0,0,2]=4 12065 B10R0.74 CCCSCCCC(=O)NC 62a_100000210303_100000741757 [0,2,0,0,0,0|0,0,0]=2 12066 B10R0.74 CCCSCCCC(=O)NC 62a_100000741757_100000210303 [0,2,0,0,0,0|0,0,0]=2 12067 B10R0.74 CCCSCCCC(=O)OC 62a_100000210303_100011218270 [0,2,0,0,0,0|0,0,0]=2 12068 B10R0.74 CCCSCCCC(=O)OC 62a_100011218270_100000210303 [0,2,0,0,0,0|0,0,0]=2 12069 B10R0.74 CCCSCCCN(C)CC 62a_100000210303_100015186262 [0,2,0,0,0,0|2,0,0]=4 12070 B10R0.74 CCCSCCNC(=O)CC 11a_100020603323_100000210414 [0,2,0,0,0,0|1,0,0]=3 12071 B10R0.74 CCCSCCNC(=O)CC 240690a_100020603323_100000210414 [0,2,0,0,0,0|1,0,0]=3 12072 B10R0.74 CCCSCCNC(=O)CC 527a_100020603323_100000210414 [0,2,0,0,0,0|1,0,0]=3 12073 B10R0.74 CCCSCCNC(=O)CO 240690a_100020603323_100000210174 [0,2,0,0,0,0|1,0,0]=3 12074 B10R0.74 CCCSCCNC(=O)CO 527a_100020603323_100000210174 [0,2,0,0,0,0|1,0,0]=3 12075 B10R0.74 CCCSCCNC(=O)NC 2708a_100020603323_106832991635 [0,2,0,0,0,0|1,0,0]=3 12076 B10R0.74 CCCSCCNC(=O)NC 2708a_100102657272_100020603323 [0,2,0,0,0,0|1,0,0]=3 12077 B10R0.74 CCCSCCNC(=O)NC 273464a_100020603323_100102657272 [0,2,0,0,0,0|1,0,0]=3 12078 B10R0.74 CCCSCCNC(=O)NC 273464a_100102657272_100020603323 [0,2,0,0,0,0|1,0,0]=3 12079 B10R0.74 CCCSCCNC(=O)NC 512a_100020603323_100102657272 [0,2,0,0,0,0|1,0,0]=3 12080 B10R0.74 CCCSCCNC(=O)NC 512a_106832991638_100020603323 [0,2,0,0,0,0|1,0,0]=3 12081 B10R0.74 CCCSCCOC(=O)NC 62a_100000210303_200011997002 [0,2,0,0,0,0|1,0,0]=3 12082 B10R0.74 CCCSCCOC(=O)NC 62a_200011997002_100000210303 [0,2,0,0,0,0|1,0,0]=3 12083 B10R0.74 CCN(C)CCCCCCF 2230a_100000225621_100015922095 [0,2,0,0,0,0|2,0,0]=4 12084 B10R0.74 CCN(C)CCCCCCF 269982a_100000225621_100015922095 [0,2,0,0,0,0|2,0,0]=4 12085 B10R0.74 CCN(C)CCCCCCO 2230a_100000225621_100000766143 [0,2,0,0,0,0|2,0,0]=4 12086 B10R0.74 CCN(C)CCCCCCO 269982a_100000225621_100000766143 [0,2,0,0,0,0|2,0,0]=4 12087 B10R0.74 CCNCCCCC(=O)OC 2230a_100015525214_100000204269 [0,2,0,0,0,0|0,0,0]=2 12088 B10R0.74 CCNCCOCC(=O)OC 2230a_100015525214_100000090808 [0,2,0,0,0,0|1,0,0]=3 12089 B10R0.74 CCNN=CCCC(=O)OC 4a_100000756455_100012047195 [0,2,0,0,0,0|1,0,1]=4 12090 B10R0.74 CCOCCCCC(=O)OC 34a_100000059025_100000210202 [0,2,0,0,0,0|0,0,0]=2 12091 B10R0.74 CCOCCCCC(=O)OC 34a_100121572206_100000204269 [0,2,0,0,0,0|0,0,0]=2 12092 B10R0.74 CCOCCCCC(=O)OC 7a_100000059025_100000210202 [0,2,0,0,0,0|0,0,0]=2 12093 B10R0.74 CCOCCCNC(=O)CC 11a_100000210961_100000210414 [0,2,0,0,0,0|1,0,0]=3 12094 B10R0.74 CCOCCCNC(=O)CC 1626a_100000210961_100000210414 [0,2,0,0,0,0|1,0,0]=3 12095 B10R0.74 CCOCCCNC(=O)CC 240690a_100000210961_100000210414 [0,2,0,0,0,0|1,0,0]=3 12096 B10R0.74 CCOCCCNC(=O)CC 527a_100000210961_100000210414 [0,2,0,0,0,0|1,0,0]=3 12097 B10R0.74 CCOCCCNC(=O)CO 240690a_100000210961_100000210174 [0,2,0,0,0,0|1,0,0]=3 12098 B10R0.74 CCOCCCNC(=O)CO 527a_100000210961_100000210174 [0,2,0,0,0,0|1,0,0]=3 12099 B10R0.74 CCOCCCNC(=O)NC 2708a_100000210961_106832991635 [0,2,0,0,0,0|1,0,0]=3 12100 B10R0.74 CCOCCCNC(=O)NC 2708a_100102657272_100000210961 [0,2,0,0,0,0|1,0,0]=3 12101 B10R0.74 CCOCCCNC(=O)NC 273464a_100000210961_100102657272 [0,2,0,0,0,0|1,0,0]=3 12102 B10R0.74 CCOCCCNC(=O)NC 273464a_100102657272_100000210961 [0,2,0,0,0,0|1,0,0]=3 12103 B10R0.74 CCOCCCNC(=O)NC 512a_100000210961_100102657272 [0,2,0,0,0,0|1,0,0]=3 12104 B10R0.74 CCOCCCNC(=O)NC 512a_106832991638_100000210961 [0,2,0,0,0,0|1,0,0]=3 12105 B10R0.74 CCOCCNCC(=O)NC 2230a_100000693194_100011215890 [0,2,0,0,0,0|1,0,0]=3 12106 B10R0.74 CCOCCNCC(=O)NC 2230a_102516460346_100000183359 [0,2,0,0,0,0|1,0,0]=3 12107 B10R0.74 CCOCCNCC(=O)NC 34a_102516460346_100000183359 [0,2,0,0,0,0|1,0,0]=3 12108 B10R0.74 CCOCCNCC(=O)OC 2230a_102516460346_100000747449 [0,2,0,0,0,0|1,0,0]=3 12109 B10R0.74 CCOCCNCC(=O)OC 34a_102516460346_100000747449 [0,2,0,0,0,0|1,0,0]=3 12110 B10R0.74 CCOCCNNC(=O)CC 22a_100000732670_100000210414 [0,2,0,0,0,0|2,0,0]=4 12111 B10R0.74 CCOCCNNC(=O)CO 22a_100000732670_100000210174 [0,2,0,0,0,0|2,0,0]=4 12112 B10R0.74 CCOCCNNC(=O)NC 273464a_100102657272_100000732670 [0,2,0,0,0,0|2,0,0]=4 12113 B10R0.74 CCOCCNNC(=O)NC 512a_100000732670_100102657272 [0,2,0,0,0,0|2,0,0]=4 12114 B10R0.74 CCOCCNNC(=O)NC 512a_106832991638_100000732670 [0,2,0,0,0,0|2,0,0]=4 12115 B10R0.74 CCOCCOCC(=O)CC 34a_100000725409_100000210147 [0,2,0,0,0,0|1,0,0]=3 12116 B10R0.74 CCOCCOCC(=O)CC 7a_100000210136_100000747405 [0,2,0,0,0,0|1,0,0]=3 12117 B10R0.74 CCOCCOCC(=O)NC 34a_100000210136_100000183359 [0,2,0,0,0,0|1,0,0]=3 12118 B10R0.74 CCOCCOCC(=O)NC 34a_100000750040_100000210147 [0,2,0,0,0,0|1,0,0]=3 12119 B10R0.74 CCOCCOCC(=O)NC 7a_100000210136_100000183359 [0,2,0,0,0,0|1,0,0]=3 12120 B10R0.74 CCOCCOCC(=O)OC 34a_100000210136_100000747449 [0,2,0,0,0,0|1,0,0]=3 12121 B10R0.74 CCOCCOCC(=O)OC 34a_100121572206_100000090808 [0,2,0,0,0,0|1,0,0]=3 12122 B10R0.74 CCOCCOCC(=O)OC 7a_100000210136_100000747449 [0,2,0,0,0,0|1,0,0]=3 12123 B10R0.74 CCOCCSCC(=O)CC 62a_100000210147_100000747405 [0,2,0,0,0,0|1,0,0]=3 12124 B10R0.74 CCOCCSCC(=O)CC 62a_100000747405_100011215890 [0,2,0,0,0,0|1,0,0]=3 12125 B10R0.74 CCOCCSCC(=O)NC 62a_100000183359_100011215890 [0,2,0,0,0,0|1,0,0]=3 12126 B10R0.74 CCOCCSCC(=O)NC 62a_100000210147_100000183359 [0,2,0,0,0,0|1,0,0]=3 12127 B10R0.74 CCOCCSCC(=O)OC 62a_100000210147_100000747449 [0,2,0,0,0,0|1,0,0]=3 12128 B10R0.74 CCOCCSCC(=O)OC 62a_100000747449_100011215890 [0,2,0,0,0,0|1,0,0]=3 12129 B10R0.74 CCOCSCCC(=O)NC 62a_100000737683_100000739092 [0,2,0,0,0,0|1,0,0]=3 12130 B10R0.74 CCOCSCCC(=O)NC 62a_100000739092_100000737683 [0,2,0,0,0,0|1,0,0]=3 12131 B10R0.74 CCOCSCCC(=O)OC 62a_100000204255_100000739092 [0,2,0,0,0,0|1,0,0]=3 12132 B10R0.74 CCOCSCCC(=O)OC 62a_100000739092_100000204255 [0,2,0,0,0,0|1,0,0]=3 12133 B10R0.74 CCOCSCOC(=O)OC 62a_100000739092_100000139417 [0,2,0,0,0,0|2,0,0]=4 12134 B10R0.74 CCSCCCCC(=O)OC 62a_100000204269_100000210202 [0,2,0,0,0,0|0,0,0]=2 12135 B10R0.74 CCSCCCCC(=O)OC 62a_100000210202_100000204269 [0,2,0,0,0,0|0,0,0]=2 12136 B10R0.74 CCSCCNCC(=O)NC 2230a_100000106463_100000183359 [0,2,0,0,0,0|1,0,0]=3 12137 B10R0.74 CCSCCNCC(=O)NC 2230a_100000693194_100000757381 [0,2,0,0,0,0|1,0,0]=3 12138 B10R0.74 CCSCCNCC(=O)OC 2230a_100000106463_100000747449 [0,2,0,0,0,0|1,0,0]=3 12139 B10R0.74 CCSCCOCC(=O)CC 34a_100000725409_100000757381 [0,2,0,0,0,0|1,0,0]=3 12140 B10R0.74 CCSCCOCC(=O)CC 7a_100000212035_100000747405 [0,2,0,0,0,0|1,0,0]=3 12141 B10R0.74 CCSCCOCC(=O)NC 34a_100000212035_100000183359 [0,2,0,0,0,0|1,0,0]=3 12142 B10R0.74 CCSCCOCC(=O)NC 34a_100000750040_100000757381 [0,2,0,0,0,0|1,0,0]=3 12143 B10R0.74 CCSCCOCC(=O)NC 7a_100000212035_100000183359 [0,2,0,0,0,0|1,0,0]=3 12144 B10R0.74 CCSCCOCC(=O)OC 34a_100000212035_100000747449 [0,2,0,0,0,0|1,0,0]=3 12145 B10R0.74 CCSCCOCC(=O)OC 62a_100000090808_100000210202 [0,2,0,0,0,0|1,0,0]=3 12146 B10R0.74 CCSCCOCC(=O)OC 62a_100000210202_100000090808 [0,2,0,0,0,0|1,0,0]=3 12147 B10R0.74 CCSCCOCC(=O)OC 7a_100000212035_100000747449 [0,2,0,0,0,0|1,0,0]=3 12148 B10R0.74 CCSCCSCC(=O)CC 62a_100000747405_100000757381 [0,2,0,0,0,0|1,0,0]=3 12149 B10R0.74 CCSCCSCC(=O)CC 62a_100000757381_100000747405 [0,2,0,0,0,0|1,0,0]=3 12150 B10R0.74 CCSCCSCC(=O)NC 62a_100000183359_100000757381 [0,2,0,0,0,0|1,0,0]=3 12151 B10R0.74 CCSCCSCC(=O)NC 62a_100000757381_100000183359 [0,2,0,0,0,0|1,0,0]=3 12152 B10R0.74 CCSCCSCC(=O)OC 62a_100000747449_100000757381 [0,2,0,0,0,0|1,0,0]=3 12153 B10R0.74 CCSCCSCC(=O)OC 62a_100000757381_100000747449 [0,2,0,0,0,0|1,0,0]=3 12154 B10R0.74 CNC(=O)CCCCCCO 240690a_100102657272_100011996774 [0,2,0,0,0,0|0,0,0]=2 12155 B10R0.74 CNC(=O)CCCCCOC 11a_106832991635_100011935119 [0,2,0,0,0,0|0,0,0]=2 12156 B10R0.74 CNC(=O)CCCCCOC 1626a_100102657272_100011935119 [0,2,0,0,0,0|0,0,0]=2 12157 B10R0.74 CNC(=O)CCCCCOC 240690a_100102657272_100011935119 [0,2,0,0,0,0|0,0,0]=2 12158 B10R0.74 CNC(=O)CCCCCOC 527a_100102657272_100011935119 [0,2,0,0,0,0|0,0,0]=2 12159 B10R0.74 CNC(=O)CCCCN=[N+]=[N-] 11a_106832991635_100000070148 [0,2,0,0,0,0|2,0,0]=4 12160 B10R0.74 CNC(=O)CCCCN=[N+]=[N-] 240690a_100102657272_100000070148 [0,2,0,0,0,0|2,0,0]=4 12161 B10R0.74 CNC(=O)CCCCN=[N+]=[N-] 527a_100102657272_100000070148 [0,2,0,0,0,0|2,0,0]=4 12162 B10R0.74 CNC(=O)CCCNCC#N 2230a_100000740002_100011215382 [0,2,0,0,0,0|1,0,1]=4 12163 B10R0.74 CNC(=O)CCCNCC=O 2230a_100000740002_200015260668 [0,2,0,0,0,0|1,0,1]=4 12164 B10R0.74 CNC(=O)CCCNCC=O 34a_100000740002_200009817547 [0,2,0,0,0,0|1,0,1]=4 12165 B10R0.74 CNC(=O)CCCNCCF 2230a_100000740002_100011217306 [0,2,0,0,0,0|1,0,0]=3 12166 B10R0.74 CNC(=O)CCCNCCF 34a_100000724931_100000741757 [0,2,0,0,0,0|1,0,0]=3 12167 B10R0.74 CNC(=O)CCCNCCF 34a_100000740002_100011217306 [0,2,0,0,0,0|1,0,0]=3 12168 B10R0.74 CNC(=O)CCCNCCO 2230a_100000740002_100000211926 [0,2,0,0,0,0|1,0,0]=3 12169 B10R0.74 CNC(=O)CCCNCCO 2230a_100016997473_100000741757 [0,2,0,0,0,0|1,0,0]=3 12170 B10R0.74 CNC(=O)CCCNCCO 34a_100000740002_100000211926 [0,2,0,0,0,0|1,0,0]=3 12171 B10R0.74 CNC(=O)CCCNCCO 34a_100016990907_100000741757 [0,2,0,0,0,0|1,0,0]=3 12172 B10R0.74 CNC(=O)CCCNCOC 2230a_100000740002_100000766300 [0,2,0,0,0,0|1,0,0]=3 12173 B10R0.74 CNC(=O)CCCNCSC 2230a_100000740002_100011218213 [0,2,0,0,0,0|1,0,0]=3 12174 B10R0.74 CNC(=O)CCCNCSC 34a_100000740002_100011218213 [0,2,0,0,0,0|1,0,0]=3 12175 B10R0.74 CNC(=O)CCCOCCBr 34a_100000211926_100000741757 [0,2,0,0,0,0|1,0,0]=3 12176 B10R0.74 CNC(=O)CCCOCCN 34a_100000210304_100000741757 [0,2,0,0,0,0|1,0,0]=3 12177 B10R0.74 CNC(=O)CCCSCC#N 62a_100000741757_100011215382 [0,2,0,0,0,0|1,0,1]=4 12178 B10R0.74 CNC(=O)CCCSCC#N 62a_100011215382_100000741757 [0,2,0,0,0,0|1,0,1]=4 12179 B10R0.74 CNC(=O)CCCSCC=O 62a_100000741757_200015260668 [0,2,0,0,0,0|1,0,1]=4 12180 B10R0.74 CNC(=O)CCCSCC=O 62a_200015260668_100000741757 [0,2,0,0,0,0|1,0,1]=4 12181 B10R0.74 CNC(=O)CCCSCCF 62a_100000741757_100011217306 [0,2,0,0,0,0|1,0,0]=3 12182 B10R0.74 CNC(=O)CCCSCCF 62a_100011217306_100000741757 [0,2,0,0,0,0|1,0,0]=3 12183 B10R0.74 CNC(=O)CCCSCCO 62a_100000211926_100000741757 [0,2,0,0,0,0|1,0,0]=3 12184 B10R0.74 CNC(=O)CCCSCCO 62a_100000741757_100000211926 [0,2,0,0,0,0|1,0,0]=3 12185 B10R0.74 CNC(=O)CCCSCOC 62a_100000741757_100000766300 [0,2,0,0,0,0|1,0,0]=3 12186 B10R0.74 CNC(=O)CCCSCOC 62a_100000766300_100000741757 [0,2,0,0,0,0|1,0,0]=3 12187 B10R0.74 CNC(=O)CCCSCSC 62a_100000741757_100011218213 [0,2,0,0,0,0|1,0,0]=3 12188 B10R0.74 CNC(=O)CCCSCSC 62a_100011218213_100000741757 [0,2,0,0,0,0|1,0,0]=3 12189 B10R0.74 CNC(=O)CCNCCC#N 2230a_100000738227_100011215226 [0,2,0,0,0,0|1,0,1]=4 12190 B10R0.74 CNC(=O)CCNCCCF 2230a_100000738227_100011934791 [0,2,0,0,0,0|1,0,0]=3 12191 B10R0.74 CNC(=O)CCNCCCF 2230a_100015189416_100000737683 [0,2,0,0,0,0|1,0,0]=3 12192 B10R0.74 CNC(=O)CCNCCCF 34a_100000738227_100011934791 [0,2,0,0,0,0|1,0,0]=3 12193 B10R0.74 CNC(=O)CCNCCCF 34a_100015189416_100012179268 [0,2,0,0,0,0|1,0,0]=3 12194 B10R0.74 CNC(=O)CCNCCCO 2230a_100000738227_100000230001 [0,2,0,0,0,0|1,0,0]=3 12195 B10R0.74 CNC(=O)CCNCCCO 34a_100000738227_100000230001 [0,2,0,0,0,0|1,0,0]=3 12196 B10R0.74 CNC(=O)CCNCCOC 2230a_100000209980_100000737683 [0,2,0,0,0,0|1,0,0]=3 12197 B10R0.74 CNC(=O)CCNCCOC 2230a_100000738227_100011201679 [0,2,0,0,0,0|1,0,0]=3 12198 B10R0.74 CNC(=O)CCNCCOC 34a_100000738227_100011201679 [0,2,0,0,0,0|1,0,0]=3 12199 B10R0.74 CNC(=O)CCNCCSC 2230a_100000738227_100000751147 [0,2,0,0,0,0|1,0,0]=3 12200 B10R0.74 CNC(=O)CCNCCSC 2230a_100020590264_100000737683 [0,2,0,0,0,0|1,0,0]=3 12201 B10R0.74 CNC(=O)CCNCCSC 34a_100000738227_100000212216 [0,2,0,0,0,0|1,0,0]=3 12202 B10R0.74 CNC(=O)CCOCCCBr 34a_100011217188_100012179268 [0,2,0,0,0,0|1,0,0]=3 12203 B10R0.74 CNC(=O)CCOCCCCl 34a_100000230001_100012179268 [0,2,0,0,0,0|1,0,0]=3 12204 B10R0.74 CNC(=O)CCOCCCF 34a_100000754576_100011934791 [0,2,0,0,0,0|1,0,0]=3 12205 B10R0.74 CNC(=O)CCOCCCF 34a_100000759539_100012179268 [0,2,0,0,0,0|1,0,0]=3 12206 B10R0.74 CNC(=O)CCOCCCN 34a_100000182051_100012179268 [0,2,0,0,0,0|1,0,0]=3 12207 B10R0.74 CNC(=O)CCOCCCO 34a_100000754576_100000230001 [0,2,0,0,0,0|1,0,0]=3 12208 B10R0.74 CNC(=O)CCOCCOC 11a_106832991635_100000745395 [0,2,0,0,0,0|1,0,0]=3 12209 B10R0.74 CNC(=O)CCOCCOC 1626a_100102657272_100000745395 [0,2,0,0,0,0|1,0,0]=3 12210 B10R0.74 CNC(=O)CCOCCOC 240690a_100102657272_100000745395 [0,2,0,0,0,0|1,0,0]=3 12211 B10R0.74 CNC(=O)CCOCCOC 34a_100000210237_100012179268 [0,2,0,0,0,0|1,0,0]=3 12212 B10R0.74 CNC(=O)CCOCCOC 34a_100000754576_100011201679 [0,2,0,0,0,0|1,0,0]=3 12213 B10R0.74 CNC(=O)CCOCCOC 527a_100102657272_100000745395 [0,2,0,0,0,0|1,0,0]=3 12214 B10R0.74 CNC(=O)CCOCCON 34a_100000700252_100012179268 [0,2,0,0,0,0|2,0,0]=4 12215 B10R0.74 CNC(=O)CCOCCSC 34a_100000230434_100012179268 [0,2,0,0,0,0|1,0,0]=3 12216 B10R0.74 CNC(=O)CCOCCSC 34a_100000754576_100000212216 [0,2,0,0,0,0|1,0,0]=3 12217 B10R0.74 CNC(=O)CCOCCSC 7a_100000230434_100000737683 [0,2,0,0,0,0|1,0,0]=3 12218 B10R0.74 CNC(=O)CCSCCC#N 62a_100000737683_100011215226 [0,2,0,0,0,0|1,0,1]=4 12219 B10R0.74 CNC(=O)CCSCCC#N 62a_100011215226_100000737683 [0,2,0,0,0,0|1,0,1]=4 12220 B10R0.74 CNC(=O)CCSCCCF 62a_100000737683_100011934791 [0,2,0,0,0,0|1,0,0]=3 12221 B10R0.74 CNC(=O)CCSCCCF 62a_100011934791_100000737683 [0,2,0,0,0,0|1,0,0]=3 12222 B10R0.74 CNC(=O)CCSCCCO 62a_100000737683_100011215043 [0,2,0,0,0,0|1,0,0]=3 12223 B10R0.74 CNC(=O)CCSCCCO 62a_100011215043_100000737683 [0,2,0,0,0,0|1,0,0]=3 12224 B10R0.74 CNC(=O)CCSCCOC 62a_100000233755_100000737683 [0,2,0,0,0,0|1,0,0]=3 12225 B10R0.74 CNC(=O)CCSCCOC 62a_100000737683_100000233755 [0,2,0,0,0,0|1,0,0]=3 12226 B10R0.74 CNC(=O)CCSCCSC 62a_100000212216_100000737683 [0,2,0,0,0,0|1,0,0]=3 12227 B10R0.74 CNC(=O)CCSCCSC 62a_100000737683_100000751147 [0,2,0,0,0,0|1,0,0]=3 12228 B10R0.74 CNC(=O)CNCCCC#N 2230a_100000693194_100000687738 [0,2,0,0,0,0|1,0,1]=4 12229 B10R0.74 CNC(=O)CNCCCC=O 2230a_100000693194_200011292268 [0,2,0,0,0,0|1,0,1]=4 12230 B10R0.74 CNC(=O)CNCCCCF 2230a_100000693194_100000729493 [0,2,0,0,0,0|1,0,0]=3 12231 B10R0.74 CNC(=O)CNCCCCO 2230a_100000693194_100000210776 [0,2,0,0,0,0|1,0,0]=3 12232 B10R0.74 CNC(=O)CNCCCCO 2230a_100000750430_100000183359 [0,2,0,0,0,0|1,0,0]=3 12233 B10R0.74 CNC(=O)CNCCCCO 34a_100000750430_100000183359 [0,2,0,0,0,0|1,0,0]=3 12234 B10R0.74 CNC(=O)CNCCCOC 2230a_100000693194_100000740836 [0,2,0,0,0,0|1,0,0]=3 12235 B10R0.74 CNC(=O)CNCCCOC 34a_100150723488_100000183359 [0,2,0,0,0,0|1,0,0]=3 12236 B10R0.74 CNC(=O)CNCCCSC 2230a_100000749238_100000183359 [0,2,0,0,0,0|1,0,0]=3 12237 B10R0.74 CNC(=O)COCCCCBr 34a_100011216708_100000183359 [0,2,0,0,0,0|1,0,0]=3 12238 B10R0.74 CNC(=O)COCCCCCl 34a_100000210776_100000183359 [0,2,0,0,0,0|1,0,0]=3 12239 B10R0.74 CNC(=O)COCCCCCl 7a_100000210776_100000183359 [0,2,0,0,0,0|1,0,0]=3 12240 B10R0.74 CNC(=O)COCCCCF 34a_100000750040_100000729493 [0,2,0,0,0,0|1,0,0]=3 12241 B10R0.74 CNC(=O)COCCCCF 34a_100011995726_100000183359 [0,2,0,0,0,0|1,0,0]=3 12242 B10R0.74 CNC(=O)COCCCCF 7a_100011995726_100000183359 [0,2,0,0,0,0|1,0,0]=3 12243 B10R0.74 CNC(=O)COCCCCI 34a_200012148704_100000183359 [0,2,0,0,0,0|1,0,0]=3 12244 B10R0.74 CNC(=O)COCCCCN 34a_100000750430_100000183359 [0,2,0,0,0,0|1,0,0]=3 12245 B10R0.74 CNC(=O)COCCCCO 34a_100000750040_100011216708 [0,2,0,0,0,0|1,0,0]=3 12246 B10R0.74 CNC(=O)COCCCOC 34a_100000740835_100000183359 [0,2,0,0,0,0|1,0,0]=3 12247 B10R0.74 CNC(=O)COCCCOC 34a_100000750040_100000740836 [0,2,0,0,0,0|1,0,0]=3 12248 B10R0.74 CNC(=O)COCCCSC 34a_100000690336_100000183359 [0,2,0,0,0,0|1,0,0]=3 12249 B10R0.74 CNC(=O)COCCCSC 7a_100000690336_100000183359 [0,2,0,0,0,0|1,0,0]=3 12250 B10R0.74 CNC(=O)CSCCCC#N 62a_100000183359_100000687738 [0,2,0,0,0,0|1,0,1]=4 12251 B10R0.74 CNC(=O)CSCCCC#N 62a_100000687738_100000183359 [0,2,0,0,0,0|1,0,1]=4 12252 B10R0.74 CNC(=O)CSCCCC=O 62a_100000183359_200011292268 [0,2,0,0,0,0|1,0,1]=4 12253 B10R0.74 CNC(=O)CSCCCC=O 62a_200011292268_100000183359 [0,2,0,0,0,0|1,0,1]=4 12254 B10R0.74 CNC(=O)CSCCCCF 62a_100000183359_100000729493 [0,2,0,0,0,0|1,0,0]=3 12255 B10R0.74 CNC(=O)CSCCCCF 62a_100000729493_100000183359 [0,2,0,0,0,0|1,0,0]=3 12256 B10R0.74 CNC(=O)CSCCCCO 62a_100000183359_100000210776 [0,2,0,0,0,0|1,0,0]=3 12257 B10R0.74 CNC(=O)CSCCCCO 62a_100000210776_100000183359 [0,2,0,0,0,0|1,0,0]=3 12258 B10R0.74 CNC(=O)CSCCCOC 62a_100000183359_100000709357 [0,2,0,0,0,0|1,0,0]=3 12259 B10R0.74 CNC(=O)CSCCCOC 62a_100000709357_100000183359 [0,2,0,0,0,0|1,0,0]=3 12260 B10R0.74 CNC(=O)NCCCCC#N 2708a_100000751965_106832991635 [0,2,0,0,0,0|1,0,1]=4 12261 B10R0.74 CNC(=O)NCCCCC#N 2708a_100102657272_100000751965 [0,2,0,0,0,0|1,0,1]=4 12262 B10R0.74 CNC(=O)NCCCCC#N 273464a_100000751965_100102657272 [0,2,0,0,0,0|1,0,1]=4 12263 B10R0.74 CNC(=O)NCCCCC#N 273464a_100102657272_100000751965 [0,2,0,0,0,0|1,0,1]=4 12264 B10R0.74 CNC(=O)NCCCCC#N 512a_100000751965_100102657272 [0,2,0,0,0,0|1,0,1]=4 12265 B10R0.74 CNC(=O)NCCCCC#N 512a_106832991638_100000751965 [0,2,0,0,0,0|1,0,1]=4 12266 B10R0.74 CNC(=O)NCCCCCO 2708a_100102657272_100000762737 [0,2,0,0,0,0|1,0,0]=3 12267 B10R0.74 CNC(=O)NCCCCCO 273464a_100000762737_100102657272 [0,2,0,0,0,0|1,0,0]=3 12268 B10R0.74 CNC(=O)NCCCCCO 273464a_100102657272_100000762737 [0,2,0,0,0,0|1,0,0]=3 12269 B10R0.74 CNC(=O)NCCCCCO 512a_100000762737_100102657272 [0,2,0,0,0,0|1,0,0]=3 12270 B10R0.74 CNC(=O)NCCCCCO 512a_106832991638_100000762737 [0,2,0,0,0,0|1,0,0]=3 12271 B10R0.74 CNC(=O)NCCNCCF 34a_100015205895_100011217306 [0,2,0,0,0,0|2,0,0]=4 12272 B10R0.74 CNC(=O)NCCNCCO 34a_100015205895_100000211926 [0,2,0,0,0,0|2,0,0]=4 12273 B10R0.74 CNC(=O)NCCNCSC 34a_100015205895_100011218213 [0,2,0,0,0,0|2,0,0]=4 12274 B10R0.74 CNC(=O)NCCOCCO 2708a_100102657272_100000211614 [0,2,0,0,0,0|2,0,0]=4 12275 B10R0.74 CNC(=O)NCCOCCO 273464a_100000211614_100102657272 [0,2,0,0,0,0|2,0,0]=4 12276 B10R0.74 CNC(=O)NCCOCCO 273464a_100102657272_100000211614 [0,2,0,0,0,0|2,0,0]=4 12277 B10R0.74 CNC(=O)NCCOCCO 512a_100000211614_100102657272 [0,2,0,0,0,0|2,0,0]=4 12278 B10R0.74 CNC(=O)NCCSCCO 2708a_100102657272_100011219999 [0,2,0,0,0,0|2,0,0]=4 12279 B10R0.74 CNC(=O)NCCSCCO 273464a_100011219999_100102657272 [0,2,0,0,0,0|2,0,0]=4 12280 B10R0.74 CNC(=O)NCCSCCO 273464a_100102657272_100011219999 [0,2,0,0,0,0|2,0,0]=4 12281 B10R0.74 CNC(=O)NCCSCCO 512a_100011219999_100102657272 [0,2,0,0,0,0|2,0,0]=4 12282 B10R0.74 CNC(=O)NCCSCCO 512a_106832991638_100011219999 [0,2,0,0,0,0|2,0,0]=4 12283 B10R0.74 CNC(=O)NNCCCOC 273464a_100102657272_100025702787 [0,2,0,0,0,0|2,0,0]=4 12284 B10R0.74 CNC(=O)NNCCCOC 512a_106832991638_100025702787 [0,2,0,0,0,0|2,0,0]=4 12285 B10R0.74 CNC(=O)OCCNCCF 34a_100000724931_200011997002 [0,2,0,0,0,0|2,0,0]=4 12286 B10R0.74 CNC(=O)OCCNCCO 34a_100016990907_200011997002 [0,2,0,0,0,0|2,0,0]=4 12287 B10R0.74 CNC(=O)OCCOCCBr 34a_100000211926_200011997002 [0,2,0,0,0,0|2,0,0]=4 12288 B10R0.74 CNC(=O)OCCOCCN 34a_100000210304_200011997002 [0,2,0,0,0,0|2,0,0]=4 12289 B10R0.74 CNC(=O)OCCSCCF 62a_100011217306_200011997002 [0,2,0,0,0,0|2,0,0]=4 12290 B10R0.74 CNC(=O)OCCSCCF 62a_200011997002_100011217306 [0,2,0,0,0,0|2,0,0]=4 12291 B10R0.74 CNC(=O)OCCSCCO 62a_100000211926_200011997002 [0,2,0,0,0,0|2,0,0]=4 12292 B10R0.74 CNC(=O)OCCSCCO 62a_200011997002_100000211926 [0,2,0,0,0,0|2,0,0]=4 12293 B10R0.74 CNC(=O)OCCSCOC 62a_100000766300_200011997002 [0,2,0,0,0,0|2,0,0]=4 12294 B10R0.74 CNC(=O)OCCSCOC 62a_200011997002_100000766300 [0,2,0,0,0,0|2,0,0]=4 12295 B10R0.74 CNC(=O)OCCSCSC 62a_100011218213_200011997002 [0,2,0,0,0,0|2,0,0]=4 12296 B10R0.74 CNC(=O)OCCSCSC 62a_200011997002_100011218213 [0,2,0,0,0,0|2,0,0]=4 12297 B10R0.74 CNCCCCCC(=O)OC 2230a_106832991635_100009816466 [0,2,0,0,0,0|0,0,0]=2 12298 B10R0.74 CNCCCCCC(=O)OC 34a_100102657272_100009816466 [0,2,0,0,0,0|0,0,0]=2 12299 B10R0.74 CNCCCCCC(=O)OC 7a_106832991635_100009816466 [0,2,0,0,0,0|0,0,0]=2 12300 B10R0.74 CNCCCOCC(=O)NC 34a_100000213112_100000183359 [0,2,0,0,0,0|1,0,0]=3 12301 B10R0.74 CNCCCOCC(=O)OC 34a_100000213112_100000747449 [0,2,0,0,0,0|1,0,0]=3 12302 B10R0.74 COC(=O)CCCCCO[13CH3] 34a_100000074720_200025704644 [0,2,0,0,0,0|0,0,0]=2 12303 B10R0.74 COC(=O)CCCCCO[13CH3] 7a_100000074720_200025704644 [0,2,0,0,0,0|0,0,0]=2 12304 B10R0.74 COC(=O)CCCCCSC 62a_100009816466_200000210301 [0,2,0,0,0,0|0,0,0]=2 12305 B10R0.74 COC(=O)CCCCCSC 62a_200000210301_100009816466 [0,2,0,0,0,0|0,0,0]=2 12306 B10R0.74 COC(=O)CCCCCS[13CH3] 62a_100009816466_200025704644 [0,2,0,0,0,0|0,0,0]=2 12307 B10R0.74 COC(=O)CCCCCS[13CH3] 62a_200025704644_100009816466 [0,2,0,0,0,0|0,0,0]=2 12308 B10R0.74 COC(=O)CCCCOCF 34a_100000059025_100015361967 [0,2,0,0,0,0|1,0,0]=3 12309 B10R0.74 COC(=O)CCCCOCF 7a_100000059025_100015361967 [0,2,0,0,0,0|1,0,0]=3 12310 B10R0.74 COC(=O)CCCCSCF 62a_100000204269_100015361967 [0,2,0,0,0,0|1,0,0]=3 12311 B10R0.74 COC(=O)CCCCSCF 62a_100015361967_100000204269 [0,2,0,0,0,0|1,0,0]=3 12312 B10R0.74 COC(=O)CCCNCCF 34a_100000724931_100000742333 [0,2,0,0,0,0|1,0,0]=3 12313 B10R0.74 COC(=O)CCCNCCO 2230a_100016997473_100011218270 [0,2,0,0,0,0|1,0,0]=3 12314 B10R0.74 COC(=O)CCCNCCO 34a_100016990907_100000742333 [0,2,0,0,0,0|1,0,0]=3 12315 B10R0.74 COC(=O)CCCOCCBr 34a_100000211926_100000742333 [0,2,0,0,0,0|1,0,0]=3 12316 B10R0.74 COC(=O)CCCOCCN 34a_100000210304_100000742333 [0,2,0,0,0,0|1,0,0]=3 12317 B10R0.74 COC(=O)CCCSCC#N 62a_100011215382_100011218270 [0,2,0,0,0,0|1,0,1]=4 12318 B10R0.74 COC(=O)CCCSCC#N 62a_100011218270_100011215382 [0,2,0,0,0,0|1,0,1]=4 12319 B10R0.74 COC(=O)CCCSCC=O 62a_100011218270_200015260668 [0,2,0,0,0,0|1,0,1]=4 12320 B10R0.74 COC(=O)CCCSCC=O 62a_200015260668_100011218270 [0,2,0,0,0,0|1,0,1]=4 12321 B10R0.74 COC(=O)CCCSCCF 62a_100011217306_100011218270 [0,2,0,0,0,0|1,0,0]=3 12322 B10R0.74 COC(=O)CCCSCCF 62a_100011218270_100011217306 [0,2,0,0,0,0|1,0,0]=3 12323 B10R0.74 COC(=O)CCCSCCO 62a_100000211926_100011218270 [0,2,0,0,0,0|1,0,0]=3 12324 B10R0.74 COC(=O)CCCSCCO 62a_100011218270_100000211926 [0,2,0,0,0,0|1,0,0]=3 12325 B10R0.74 COC(=O)CCCSCSC 62a_100011218213_100011218270 [0,2,0,0,0,0|1,0,0]=3 12326 B10R0.74 COC(=O)CCCSCSC 62a_100011218270_100011218213 [0,2,0,0,0,0|1,0,0]=3 12327 B10R0.74 COC(=O)CCNCCCF 2230a_100015189416_100000204255 [0,2,0,0,0,0|1,0,0]=3 12328 B10R0.74 COC(=O)CCNCCCF 34a_100015189416_100000742370 [0,2,0,0,0,0|1,0,0]=3 12329 B10R0.74 COC(=O)CCNCCSC 2230a_100020590264_100000204255 [0,2,0,0,0,0|1,0,0]=3 12330 B10R0.74 COC(=O)CCOCCCBr 34a_100011217188_100000742370 [0,2,0,0,0,0|1,0,0]=3 12331 B10R0.74 COC(=O)CCOCCCCl 34a_100000230001_100000742370 [0,2,0,0,0,0|1,0,0]=3 12332 B10R0.74 COC(=O)CCOCCCF 34a_100000759539_100000742370 [0,2,0,0,0,0|1,0,0]=3 12333 B10R0.74 COC(=O)CCOCCCN 34a_100000182051_100000742370 [0,2,0,0,0,0|1,0,0]=3 12334 B10R0.74 COC(=O)CCOCCON 34a_100000700252_100000742370 [0,2,0,0,0,0|2,0,0]=4 12335 B10R0.74 COC(=O)CCOCCSC 34a_100000230434_100000742370 [0,2,0,0,0,0|1,0,0]=3 12336 B10R0.74 COC(=O)CCOCCSC 7a_100000230434_100000204255 [0,2,0,0,0,0|1,0,0]=3 12337 B10R0.74 COC(=O)CCSCCC#N 62a_100000204255_100011215226 [0,2,0,0,0,0|1,0,1]=4 12338 B10R0.74 COC(=O)CCSCCC#N 62a_100011215226_100000204255 [0,2,0,0,0,0|1,0,1]=4 12339 B10R0.74 COC(=O)CCSCCCF 62a_100000204255_100011934791 [0,2,0,0,0,0|1,0,0]=3 12340 B10R0.74 COC(=O)CCSCCCF 62a_100011934791_100000204255 [0,2,0,0,0,0|1,0,0]=3 12341 B10R0.74 COC(=O)CCSCCCO 62a_100000204255_100011215043 [0,2,0,0,0,0|1,0,0]=3 12342 B10R0.74 COC(=O)CCSCCCO 62a_100011215043_100000204255 [0,2,0,0,0,0|1,0,0]=3 12343 B10R0.74 COC(=O)CCSCCSC 62a_100000204255_100000751147 [0,2,0,0,0,0|1,0,0]=3 12344 B10R0.74 COC(=O)CCSCCSC 62a_100000212216_100000204255 [0,2,0,0,0,0|1,0,0]=3 12345 B10R0.74 COC(=O)CNCCCCO 2230a_100000750430_100000747449 [0,2,0,0,0,0|1,0,0]=3 12346 B10R0.74 COC(=O)CNCCCCO 34a_100000750430_100000747449 [0,2,0,0,0,0|1,0,0]=3 12347 B10R0.74 COC(=O)CNCCCSC 2230a_100000749238_100000747449 [0,2,0,0,0,0|1,0,0]=3 12348 B10R0.74 COC(=O)COCCCCBr 34a_100011216708_100000747449 [0,2,0,0,0,0|1,0,0]=3 12349 B10R0.74 COC(=O)COCCCCCl 34a_100000210776_100000747449 [0,2,0,0,0,0|1,0,0]=3 12350 B10R0.74 COC(=O)COCCCCCl 7a_100000210776_100000747449 [0,2,0,0,0,0|1,0,0]=3 12351 B10R0.74 COC(=O)COCCCCF 34a_100011995726_100000747449 [0,2,0,0,0,0|1,0,0]=3 12352 B10R0.74 COC(=O)COCCCCF 7a_100011995726_100000747449 [0,2,0,0,0,0|1,0,0]=3 12353 B10R0.74 COC(=O)COCCCCI 34a_200012148704_100000747449 [0,2,0,0,0,0|1,0,0]=3 12354 B10R0.74 COC(=O)COCCCCN 34a_100000750430_100000747449 [0,2,0,0,0,0|1,0,0]=3 12355 B10R0.74 COC(=O)COCCCSC 34a_100000690336_100000747449 [0,2,0,0,0,0|1,0,0]=3 12356 B10R0.74 COC(=O)COCCCSC 7a_100000690336_100000747449 [0,2,0,0,0,0|1,0,0]=3 12357 B10R0.74 COC(=O)COCCSCF 62a_100000090808_100015361967 [0,2,0,0,0,0|2,0,0]=4 12358 B10R0.74 COC(=O)COCCSCF 62a_100015361967_100000090808 [0,2,0,0,0,0|2,0,0]=4 12359 B10R0.74 COC(=O)CSCCCC#N 62a_100000687738_100000747449 [0,2,0,0,0,0|1,0,1]=4 12360 B10R0.74 COC(=O)CSCCCC#N 62a_100000747449_100000687738 [0,2,0,0,0,0|1,0,1]=4 12361 B10R0.74 COC(=O)CSCCCC=O 62a_100000747449_200011292268 [0,2,0,0,0,0|1,0,1]=4 12362 B10R0.74 COC(=O)CSCCCC=O 62a_200011292268_100000747449 [0,2,0,0,0,0|1,0,1]=4 12363 B10R0.74 COC(=O)CSCCCCF 62a_100000729493_100000747449 [0,2,0,0,0,0|1,0,0]=3 12364 B10R0.74 COC(=O)CSCCCCF 62a_100000747449_100000729493 [0,2,0,0,0,0|1,0,0]=3 12365 B10R0.74 COC(=O)CSCCCCO 62a_100000210776_100000747449 [0,2,0,0,0,0|1,0,0]=3 12366 B10R0.74 COC(=O)CSCCCCO 62a_100000747449_100000210776 [0,2,0,0,0,0|1,0,0]=3 12367 B10R0.74 COC(=O)NCCOCCF 34a_100000757965_100011217306 [0,2,0,0,0,0|2,0,0]=4 12368 B10R0.74 COC(=O)NCCOCCO 34a_100000757965_100000211926 [0,2,0,0,0,0|2,0,0]=4 12369 B10R0.74 COC(=O)NCCOCSC 34a_100000757965_100011218213 [0,2,0,0,0,0|2,0,0]=4 12370 B10R0.74 COC(=O)OCCOCCF 34a_100010262106_100011217306 [0,2,0,0,0,0|2,0,0]=4 12371 B10R0.74 COC(=O)OCCOCCO 34a_100010262106_100000211926 [0,2,0,0,0,0|2,0,0]=4 12372 B10R0.74 COC(=O)OCCOCSC 34a_100010262106_100011218213 [0,2,0,0,0,0|2,0,0]=4 12373 B10R0.74 COC(=O)OCSCCCF 62a_100011934791_100000139417 [0,2,0,0,0,0|2,0,0]=4 12374 B10R0.74 COC(=O)OCSCCCO 62a_100011215043_100000139417 [0,2,0,0,0,0|2,0,0]=4 12375 B10R0.74 COC(=O)OCSCCSC 62a_100000212216_100000139417 [0,2,0,0,0,0|2,0,0]=4 12376 B10R0.74 COCCCCCC(=O)CF 1458a_100011935119_100015361967 [0,2,0,0,0,0|0,0,0]=2 12377 B10R0.74 COCCCCCC(=O)OC 34a_100000074720_200000210301 [0,2,0,0,0,0|0,0,0]=2 12378 B10R0.74 COCCCCCC(=O)OC 34a_100138415774_100009816466 [0,2,0,0,0,0|0,0,0]=2 12379 B10R0.74 COCCCCCC(=O)OC 7a_100000074720_200000210301 [0,2,0,0,0,0|0,0,0]=2 12380 B10R0.74 COCCCNCC(=O)OC 34a_100150723488_100000747449 [0,2,0,0,0,0|1,0,0]=3 12381 B10R0.74 COCCCNNC(=O)CO 22a_100025702787_100000210174 [0,2,0,0,0,0|2,0,0]=4 12382 B10R0.74 COCCCOCC(=O)OC 34a_100000740835_100000747449 [0,2,0,0,0,0|1,0,0]=3 12383 B10R0.74 COCCCSCC(=O)OC 62a_100000709357_100000747449 [0,2,0,0,0,0|1,0,0]=3 12384 B10R0.74 COCCCSCC(=O)OC 62a_100000747449_100000709357 [0,2,0,0,0,0|1,0,0]=3 12385 B10R0.74 COCCNCCC(=O)OC 2230a_100000209980_100000204255 [0,2,0,0,0,0|1,0,0]=3 12386 B10R0.74 COCCOCCC(=O)CF 1458a_100000745395_100015361967 [0,2,0,0,0,0|1,0,0]=3 12387 B10R0.74 COCCOCCC(=O)CO 1458a_100000210174_100000695917 [0,2,0,0,0,0|1,0,0]=3 12388 B10R0.74 COCCOCCC(=O)OC 34a_100000210237_100000742370 [0,2,0,0,0,0|1,0,0]=3 12389 B10R0.74 COCCSCCC(=O)OC 62a_100000204255_100000233755 [0,2,0,0,0,0|1,0,0]=3 12390 B10R0.74 COCCSCCC(=O)OC 62a_100000233755_100000204255 [0,2,0,0,0,0|1,0,0]=3 12391 B10R0.74 COCCSCOC(=O)OC 62a_100000233755_100000139417 [0,2,0,0,0,0|2,0,0]=4 12392 B10R0.74 COCSCCCC(=O)OC 62a_100000766300_100011218270 [0,2,0,0,0,0|1,0,0]=3 12393 B10R0.74 COCSCCCC(=O)OC 62a_100011218270_100000766300 [0,2,0,0,0,0|1,0,0]=3 12394 B10R0.74 CSCOCCCC(=O)NN 34a_100000211488_100011218213 [0,2,0,0,0,0|2,0,0]=4 12395 B10R0.74 N#CCCCCCC(=O)CO 1458a_100000210174_100009813376 [0,2,0,0,0,0|0,0,1]=3 12396 B10R0.74 N#CCCCCNC(=O)CO 240690a_100000751965_100000210174 [0,2,0,0,0,0|1,0,1]=4 12397 B10R0.74 N#CCCCCNC(=O)CO 527a_100000751965_100000210174 [0,2,0,0,0,0|1,0,1]=4 12398 B10R0.74 NNC(=O)CCCOCCF 34a_100000211488_100011217306 [0,2,0,0,0,0|2,0,0]=4 12399 B10R0.74 NNC(=O)CCCOCCO 34a_100000211488_100000211926 [0,2,0,0,0,0|2,0,0]=4 12400 B10R0.74 O=C(CF)CCCCCCO 1458a_100011996774_100015361967 [0,2,0,0,0,0|0,0,0]=2 12401 B10R0.74 O=C(CO)CCCCCCF 1458a_100000210174_100015922095 [0,2,0,0,0,0|0,0,0]=2 12402 B10R0.74 O=C(CO)CCCCCCO 1458a_100000210174_100000766143 [0,2,0,0,0,0|0,0,0]=2 12403 B10R0.74 O=C(CO)NCCCCCO 240690a_100000762737_100000210174 [0,2,0,0,0,0|1,0,0]=3 12404 B10R0.74 O=C(CO)NCCOCCO 240690a_100000211614_100000210174 [0,2,0,0,0,0|2,0,0]=4 12405 B10R0.74 O=C(CO)NCCSCCO 240690a_100011219999_100000210174 [0,2,0,0,0,0|2,0,0]=4 12406 B10R0.74 O=C(CO)NCCSCCO 527a_100011219999_100000210174 [0,2,0,0,0,0|2,0,0]=4 12407 B10R0.74 [N-]=[N+]=NCCCCC(=O)CF 1458a_100000070148_100015361967 [0,2,0,0,0,0|2,0,0]=4 12408 B10R0.75 C#CCCCCC(=O)C(=C)C 1458a_100000185857_100010269958 [0,2,0,0,0,0|0,0,2]=4 12409 B10R0.75 C#CCCCCC(=O)C(C)C 1458a_100000210198_100010269958 [0,2,0,0,0,0|0,0,2]=4 12410 B10R0.75 C#CCCCCC(=O)C(C)C 1458a_100000696528_100000210206 [0,2,0,0,0,0|0,0,2]=4 12411 B10R0.75 C#CCCCCC(=O)C(C)F 1458a_100000062450_100010269958 [0,2,0,0,0,0|0,0,2]=4 12412 B10R0.75 C#CCCCCC(=O)C(O)O 1458a_100000233687_100010269958 [0,2,0,0,0,0|0,0,2]=4 12413 B10R0.75 C#CCCCCC(=O)N(C)C 11a_100102631434_100000696528 [0,2,0,0,0,0|0,0,2]=4 12414 B10R0.75 C#CCCCCC(=O)N(C)C 1626a_100102631434_100000696528 [0,2,0,0,0,0|0,0,2]=4 12415 B10R0.75 C#CCCCCC(=O)N(C)C 240690a_100102631434_100000696528 [0,2,0,0,0,0|0,0,2]=4 12416 B10R0.75 C#CCCCCC(=O)N(C)C 527a_100102631434_100000696528 [0,2,0,0,0,0|0,0,2]=4 12417 B10R0.75 C#CCCCCC(=O)[C@@H](C)O 1458a_100000717761_100010269958 [0,2,0,0,0,0|0,0,2]=4 12418 B10R0.75 C#CCCCCC(=O)[C@H](C)O 1458a_217856618621_100010269958 [0,2,0,0,0,0|0,0,2]=4 12419 B10R0.75 C#CCCCOC(C)C(=O)C 34a_100000212229_100000695029 [0,2,0,0,0,0|0,0,2]=4 12420 B10R0.75 C#CCCCOC(C)C(=O)C 7a_100000215630_100000179758 [0,2,0,0,0,0|0,0,2]=4 12421 B10R0.75 C#CCCCSC(C)C(=O)C 62a_100009814033_100011215417 [0,2,0,0,0,0|0,0,2]=4 12422 B10R0.75 C#CCCCSC(C)C(=O)C 62a_100011215417_100009814033 [0,2,0,0,0,0|0,0,2]=4 12423 B10R0.75 C#CCCOCC(C)C(=O)C 34a_100000032740_100000688953 [0,2,0,0,0,0|0,0,2]=4 12424 B10R0.75 C#CCCOCC(C)C(=O)C 7a_100000032740_100000688953 [0,2,0,0,0,0|0,0,2]=4 12425 B10R0.75 C/C=C/COCC(C)C(=O)C 34a_100000032740_100102629194 [0,2,0,0,0,0|0,0,2]=4 12426 B10R0.75 C/C=C/COCC(C)C(=O)C 7a_100000032740_100102629194 [0,2,0,0,0,0|0,0,2]=4 12427 B10R0.75 C=C(Br)C(=O)NCCCCC 11a_100000209983_100009813364 [0,2,0,0,0,0|1,0,1]=4 12428 B10R0.75 C=C(Br)C(=O)NCCCCC 1626a_100000209983_100009813364 [0,2,0,0,0,0|1,0,1]=4 12429 B10R0.75 C=C(C)C(=O)CC/C=C\CC 1458a_100000185857_100015370543 [0,2,0,0,0,0|0,0,2]=4 12430 B10R0.75 C=C(C)C(=O)CCCCC#N 1458a_100000185857_100000211819 [0,2,0,0,0,0|1,0,1]=4 12431 B10R0.75 C=C(C)C(=O)CCCCCC 1458a_100000185857_100000210757 [0,2,0,0,0,0|0,0,0]=2 12432 B10R0.75 C=C(C)C(=O)CCCCCF 1458a_100000185857_100000729378 [0,2,0,0,0,0|1,0,0]=3 12433 B10R0.75 C=C(C)C(=O)CCCCCO 1458a_100000185857_100000746330 [0,2,0,0,0,0|1,0,0]=3 12434 B10R0.75 C=C(C)C(=O)CCCCOC 1458a_100000185857_100000755781 [0,2,0,0,0,0|1,0,0]=3 12435 B10R0.75 C=C(C)C(=O)CCCOCC 1458a_100000185857_100012232248 [0,2,0,0,0,0|1,0,0]=3 12436 B10R0.75 C=C(C)C(=O)CCOCCC 1458a_100000185857_100011215938 [0,2,0,0,0,0|1,0,0]=3 12437 B10R0.75 C=C(C)C(=O)CCOCCO 1458a_100000185857_100011215305 [0,2,0,0,0,0|2,0,0]=4 12438 B10R0.75 C=C(C)C(=O)COCCCC 1458a_100000185857_100011995733 [0,2,0,0,0,0|1,0,0]=3 12439 B10R0.75 C=C(C)C(=O)NCCCCC 11a_100000209983_100000185857 [0,2,0,0,0,0|1,0,0]=3 12440 B10R0.75 C=C(C)C(=O)NCCCCC 1626a_100000209983_100000185857 [0,2,0,0,0,0|1,0,0]=3 12441 B10R0.75 C=C(C)C(=O)NCCCNC 2230a_100016987756_200000210301 [0,2,0,0,0,0|2,0,0]=4 12442 B10R0.75 C=C(C)C(=O)NCCCN[13CH3] 2230a_100016987756_200025704644 [0,2,0,0,0,0|2,0,0]=4 12443 B10R0.75 C=C(C)C(=O)NCCCOC 1626a_100150723488_100000185857 [0,2,0,0,0,0|2,0,0]=4 12444 B10R0.75 C=C(C)C(=O)NCCCSC 11a_100000749238_100000185857 [0,2,0,0,0,0|2,0,0]=4 12445 B10R0.75 C=C(C)C(=O)NCCCSC 1626a_100000749238_100000185857 [0,2,0,0,0,0|2,0,0]=4 12446 B10R0.75 C=C(C)C(=O)NCCNCC 2230a_100102636416_100000210202 [0,2,0,0,0,0|2,0,0]=4 12447 B10R0.75 C=C(C)C(=O)NCCOCC 11a_100011200944_100000185857 [0,2,0,0,0,0|2,0,0]=4 12448 B10R0.75 C=C(C)C(=O)NCCOCC 1626a_102516460346_100000185857 [0,2,0,0,0,0|2,0,0]=4 12449 B10R0.75 C=C(C)C(=O)NCCSCC 11a_100000106463_100000185857 [0,2,0,0,0,0|2,0,0]=4 12450 B10R0.75 C=C(C)C(=O)NCCSCC 1626a_100000106463_100000185857 [0,2,0,0,0,0|2,0,0]=4 12451 B10R0.75 C=C(C)C(=O)NNCCCC 22a_100025702795_100000185857 [0,2,0,0,0,0|2,0,0]=4 12452 B10R0.75 C=C(C)C(=O)OCCCOC 7a_100000032641_200000210301 [0,2,0,0,0,0|2,0,0]=4 12453 B10R0.75 C=C(C)C(=O)OCCCO[13CH3] 7a_100000032641_200025704644 [0,2,0,0,0,0|2,0,0]=4 12454 B10R0.75 C=C(C)C(=O)OCCNCC 2230a_100015525214_100009816335 [0,2,0,0,0,0|2,0,0]=4 12455 B10R0.75 C=C(C)C(=O)OCCOCC 34a_100121572206_100009816335 [0,2,0,0,0,0|2,0,0]=4 12456 B10R0.75 C=C(C)C(=O)OCCSCC 62a_100000210202_100009816335 [0,2,0,0,0,0|2,0,0]=4 12457 B10R0.75 C=C(C)C(=O)OCCSCC 62a_100009816335_100000210202 [0,2,0,0,0,0|2,0,0]=4 12458 B10R0.75 C=C(C)C(C)NCCCCC 269862a_100000209983_100011216138 [0,2,0,0,0,0|1,0,0]=3 12459 B10R0.75 C=C(C)C(C)NCCCCO 269862a_100000750430_100011216138 [0,2,0,0,0,0|2,0,0]=4 12460 B10R0.75 C=C(C)C(C)NCCCOC 269862a_100150723488_100011216138 [0,2,0,0,0,0|2,0,0]=4 12461 B10R0.75 C=C(C)C(C)NCCCSC 269862a_100000749238_100011216138 [0,2,0,0,0,0|2,0,0]=4 12462 B10R0.75 C=C(C)C(C)NCCOCC 269862a_100011200944_100011216138 [0,2,0,0,0,0|2,0,0]=4 12463 B10R0.75 C=C(C)C(C)NCCSCC 269862a_100000106463_100011216138 [0,2,0,0,0,0|2,0,0]=4 12464 B10R0.75 C=C(Cl)C(=O)NCCCCC 11a_100000209983_100000039160 [0,2,0,0,0,0|1,0,1]=4 12465 B10R0.75 C=C(Cl)C(=O)NCCCCC 1626a_100000209983_100000039160 [0,2,0,0,0,0|1,0,1]=4 12466 B10R0.75 C=C(F)C(=O)NCCCCC 11a_100000209983_100000036797 [0,2,0,0,0,0|1,0,1]=4 12467 B10R0.75 C=C(F)C(=O)NCCCCC 1626a_100000209983_100000036797 [0,2,0,0,0,0|1,0,1]=4 12468 B10R0.75 C=CCCCCC(=O)C(=C)C 1458a_100000185857_100011215482 [0,2,0,0,0,0|0,0,2]=4 12469 B10R0.75 C=CCCCCC(=O)C(C)C 1458a_100000210198_100011215482 [0,2,0,0,0,0|0,0,2]=4 12470 B10R0.75 C=CCCCCC(=O)C(C)C 1458a_100011215552_100000210206 [0,2,0,0,0,0|0,0,2]=4 12471 B10R0.75 C=CCCCCC(=O)C(C)F 1458a_100000062450_100011215482 [0,2,0,0,0,0|0,0,2]=4 12472 B10R0.75 C=CCCCCC(=O)C(O)O 1458a_100000233687_100011215482 [0,2,0,0,0,0|0,0,2]=4 12473 B10R0.75 C=CCCCCC(=O)N(C)C 11a_100102631434_100011215552 [0,2,0,0,0,0|0,0,2]=4 12474 B10R0.75 C=CCCCCC(=O)N(C)C 1626a_100102631434_100011215552 [0,2,0,0,0,0|0,0,2]=4 12475 B10R0.75 C=CCCCCC(=O)N(C)C 240690a_100102631434_100011215552 [0,2,0,0,0,0|0,0,2]=4 12476 B10R0.75 C=CCCCCC(=O)N(C)C 527a_100102631434_100011215552 [0,2,0,0,0,0|0,0,2]=4 12477 B10R0.75 C=CCCCCC(=O)[C@@H](C)O 1458a_100000717761_100011215482 [0,2,0,0,0,0|0,0,2]=4 12478 B10R0.75 C=CCCCCC(=O)[C@H](C)O 1458a_217856618621_100011215482 [0,2,0,0,0,0|0,0,2]=4 12479 B10R0.75 C=CCCCCN(C)C(=O)C 11a_100012000471_100015343762 [0,2,0,0,0,0|0,0,2]=4 12480 B10R0.75 C=CCCCCN(C)C(=O)C 1626a_100012000471_100015343762 [0,2,0,0,0,0|0,0,2]=4 12481 B10R0.75 C=CCCCCN(C)C(=O)C 240690a_100012000471_100015343762 [0,2,0,0,0,0|0,0,2]=4 12482 B10R0.75 C=CCCCCN(C)C(=O)C 527a_100012000471_100103153847 [0,2,0,0,0,0|0,0,2]=4 12483 B10R0.75 C=CCCCNC(C)C(=O)C 2230a_100000700776_100009814033 [0,2,0,0,0,0|0,0,2]=4 12484 B10R0.75 C=CCCCOC(C)C(=O)C 34a_100000212229_100000757094 [0,2,0,0,0,0|0,0,2]=4 12485 B10R0.75 C=CCCCOC(C)C(=O)C 7a_100000758997_100000179758 [0,2,0,0,0,0|0,0,2]=4 12486 B10R0.75 C=CCCCSC(C)C(=O)C 62a_100009814033_100000757094 [0,2,0,0,0,0|0,0,2]=4 12487 B10R0.75 C=CCCCSC(C)C(=O)C 62a_100011713584_100009814033 [0,2,0,0,0,0|0,0,2]=4 12488 B10R0.75 C=CCCOCC(C)C(=O)C 34a_100000032740_100000754431 [0,2,0,0,0,0|0,0,2]=4 12489 B10R0.75 C=CCCOCC(C)C(=O)C 7a_100000032740_100000754431 [0,2,0,0,0,0|0,0,2]=4 12490 B10R0.75 CC#CCOCC(C)C(=O)C 34a_100000032740_100000748600 [0,2,0,0,0,0|0,0,2]=4 12491 B10R0.75 CC#CCOCC(C)C(=O)C 7a_100000032740_100000748600 [0,2,0,0,0,0|0,0,2]=4 12492 B10R0.75 CC(=O)C(=O)CNCCCF 34a_100015189416_100011261029 [0,2,0,0,0,0|1,0,1]=4 12493 B10R0.75 CC(=O)C(=O)COCCCBr 34a_100011217188_100011261029 [0,2,0,0,0,0|1,0,1]=4 12494 B10R0.75 CC(=O)C(=O)COCCCCl 34a_100000230001_100011261029 [0,2,0,0,0,0|1,0,1]=4 12495 B10R0.75 CC(=O)C(=O)COCCCF 34a_100000759539_100011261029 [0,2,0,0,0,0|1,0,1]=4 12496 B10R0.75 CC(=O)C(=O)COCCCN 34a_100000182051_100011261029 [0,2,0,0,0,0|1,0,1]=4 12497 B10R0.75 CC(=O)C(=O)CSCCCF 62a_100011261029_100011934791 [0,2,0,0,0,0|1,0,1]=4 12498 B10R0.75 CC(=O)C(=O)CSCCCF 62a_100011934791_100011261029 [0,2,0,0,0,0|1,0,1]=4 12499 B10R0.75 CC(=O)C(=O)CSCCCO 62a_100011215043_100011261029 [0,2,0,0,0,0|1,0,1]=4 12500 B10R0.75 CC(=O)C(=O)CSCCCO 62a_100011261029_100011215043 [0,2,0,0,0,0|1,0,1]=4 12501 B10R0.75 CC(=O)C(C)COCCC#N 7a_100000032740_100000184422 [0,2,0,0,0,0|1,0,1]=4 12502 B10R0.75 CC(=O)C(C)COCCCF 34a_100000032740_100011934791 [0,2,0,0,0,0|1,0,0]=3 12503 B10R0.75 CC(=O)C(C)COCCCF 7a_100000032740_100011934791 [0,2,0,0,0,0|1,0,0]=3 12504 B10R0.75 CC(=O)C(C)COCCCO 34a_100000032740_100000230001 [0,2,0,0,0,0|1,0,0]=3 12505 B10R0.75 CC(=O)C(C)COCCCO 7a_100000032740_100011215043 [0,2,0,0,0,0|1,0,0]=3 12506 B10R0.75 CC(=O)C(C)NCCCCO 2230a_100000750430_100009814033 [0,2,0,0,0,0|1,0,0]=3 12507 B10R0.75 CC(=O)C(C)OCCCCCl 7a_100000210776_100000179758 [0,2,0,0,0,0|1,0,0]=3 12508 B10R0.75 CC(=O)C(C)OCCCCF 34a_100000212229_100000729493 [0,2,0,0,0,0|1,0,0]=3 12509 B10R0.75 CC(=O)C(C)OCCCCF 7a_100011995726_100000179758 [0,2,0,0,0,0|1,0,0]=3 12510 B10R0.75 CC(=O)C(C)OCCCCO 34a_100000212229_100011216708 [0,2,0,0,0,0|1,0,0]=3 12511 B10R0.75 CC(=O)C(C)SCCCC#N 62a_100000687738_100009814033 [0,2,0,0,0,0|1,0,1]=4 12512 B10R0.75 CC(=O)C(C)SCCCC#N 62a_100009814033_100000687738 [0,2,0,0,0,0|1,0,1]=4 12513 B10R0.75 CC(=O)C(C)SCCCC=O 62a_100009814033_200011292268 [0,2,0,0,0,0|1,0,1]=4 12514 B10R0.75 CC(=O)C(C)SCCCC=O 62a_200011292268_100009814033 [0,2,0,0,0,0|1,0,1]=4 12515 B10R0.75 CC(=O)C(C)SCCCCF 62a_100000729493_100009814033 [0,2,0,0,0,0|1,0,0]=3 12516 B10R0.75 CC(=O)C(C)SCCCCF 62a_100009814033_100000729493 [0,2,0,0,0,0|1,0,0]=3 12517 B10R0.75 CC(=O)C(C)SCCCCO 62a_100000210776_100009814033 [0,2,0,0,0,0|1,0,0]=3 12518 B10R0.75 CC(=O)C(C)SCCCCO 62a_100009814033_100000210776 [0,2,0,0,0,0|1,0,0]=3 12519 B10R0.75 CC(=O)N(C)CCCCCO 240690a_100000722520_100015343762 [0,2,0,0,0,0|1,0,0]=3 12520 B10R0.75 CC(=O)N(C)CCOCCO 240690a_100000228057_100015343762 [0,2,0,0,0,0|2,0,0]=4 12521 B10R0.75 CC(C)C(=O)CCCCC#N 1458a_100000210198_100000211819 [0,2,0,0,0,0|1,0,1]=4 12522 B10R0.75 CC(C)C(=O)CCCCCF 1458a_100000210198_100000729378 [0,2,0,0,0,0|1,0,0]=3 12523 B10R0.75 CC(C)C(=O)CCCCCO 1458a_100000210198_100000746330 [0,2,0,0,0,0|1,0,0]=3 12524 B10R0.75 CC(C)C(=O)CCCCCO 1458a_100102619762_100000210206 [0,2,0,0,0,0|1,0,0]=3 12525 B10R0.75 CC(C)C(=O)CCOCCO 1458a_100000210198_100011215305 [0,2,0,0,0,0|2,0,0]=4 12526 B10R0.75 CC(C)C(=O)CCOCCO 1458a_100011229844_100000210206 [0,2,0,0,0,0|2,0,0]=4 12527 B10R0.75 CC(C)C(=O)CNCCCF 2230a_100015189416_100000753385 [0,2,0,0,0,0|2,0,0]=4 12528 B10R0.75 CC(C)C(=O)CNCCCF 34a_100015189416_100000753385 [0,2,0,0,0,0|2,0,0]=4 12529 B10R0.75 CC(C)C(=O)COCCCBr 34a_100011217188_100000753385 [0,2,0,0,0,0|2,0,0]=4 12530 B10R0.75 CC(C)C(=O)COCCCCl 34a_100000230001_100000753385 [0,2,0,0,0,0|2,0,0]=4 12531 B10R0.75 CC(C)C(=O)COCCCF 34a_100000759539_100000753385 [0,2,0,0,0,0|2,0,0]=4 12532 B10R0.75 CC(C)C(=O)COCCCN 34a_100000182051_100000753385 [0,2,0,0,0,0|2,0,0]=4 12533 B10R0.75 CC(C)C(=O)CSCCCF 62a_100000753385_100011934791 [0,2,0,0,0,0|2,0,0]=4 12534 B10R0.75 CC(C)C(=O)CSCCCF 62a_100011934791_100000753385 [0,2,0,0,0,0|2,0,0]=4 12535 B10R0.75 CC(C)C(=O)CSCCCO 62a_100000753385_100011215043 [0,2,0,0,0,0|2,0,0]=4 12536 B10R0.75 CC(C)C(=O)CSCCCO 62a_100011215043_100000753385 [0,2,0,0,0,0|2,0,0]=4 12537 B10R0.75 CC(C)C(=O)NCCCCO 240690a_100000750430_100000210198 [0,2,0,0,0,0|2,0,0]=4 12538 B10R0.75 CC(C)C(=O)NCCCCO 527a_100000750430_100000210198 [0,2,0,0,0,0|2,0,0]=4 12539 B10R0.75 CC(CNCCCF)C(=O)O 269956a_100000749485_100011934791 [0,2,0,0,0,0|2,0,0]=4 12540 B10R0.75 CC(CNCCCO)C(=O)O 269956a_100000749485_100011215043 [0,2,0,0,0,0|2,0,0]=4 12541 B10R0.75 CC(F)C(=O)CCCCC#N 1458a_100000062450_100000211819 [0,2,0,0,0,0|1,0,1]=4 12542 B10R0.75 CC(F)C(=O)CCCCCF 1458a_100000062450_100000729378 [0,2,0,0,0,0|1,0,0]=3 12543 B10R0.75 CC(F)C(=O)CCCCCO 1458a_100000062450_100000746330 [0,2,0,0,0,0|1,0,0]=3 12544 B10R0.75 CC(F)C(=O)CCOCCO 1458a_100000062450_100011215305 [0,2,0,0,0,0|2,0,0]=4 12545 B10R0.75 CC(F)C(=O)NCCCCO 240690a_100000750430_100000062450 [0,2,0,0,0,0|2,0,0]=4 12546 B10R0.75 CC(F)C(=O)NCCCCO 527a_100000750430_100000062450 [0,2,0,0,0,0|2,0,0]=4 12547 B10R0.75 CC(NCCCCO)C(=O)N 2230a_100000750430_100000702099 [0,2,0,0,0,0|2,0,0]=4 12548 B10R0.75 CC(NCCCCO)C(=O)N 34a_100000750430_100000702099 [0,2,0,0,0,0|2,0,0]=4 12549 B10R0.75 CC(OCCCCBr)C(=O)N 34a_100011216708_100000702099 [0,2,0,0,0,0|2,0,0]=4 12550 B10R0.75 CC(OCCCCCl)C(=O)N 34a_100000210776_100000702099 [0,2,0,0,0,0|2,0,0]=4 12551 B10R0.75 CC(OCCCCCl)C(=O)N 7a_100000210776_100000702099 [0,2,0,0,0,0|2,0,0]=4 12552 B10R0.75 CC(OCCCCF)C(=O)N 34a_100011995726_100000702099 [0,2,0,0,0,0|2,0,0]=4 12553 B10R0.75 CC(OCCCCF)C(=O)N 7a_100011995726_100000702099 [0,2,0,0,0,0|2,0,0]=4 12554 B10R0.75 CC(OCCCCI)C(=O)N 34a_200012148704_100000702099 [0,2,0,0,0,0|2,0,0]=4 12555 B10R0.75 CC(OCCCCN)C(=O)N 34a_100000750430_100000702099 [0,2,0,0,0,0|2,0,0]=4 12556 B10R0.75 CC(SCCCCF)C(=O)N 62a_100000702099_100000729493 [0,2,0,0,0,0|2,0,0]=4 12557 B10R0.75 CC(SCCCCF)C(=O)N 62a_100000729493_100000702099 [0,2,0,0,0,0|2,0,0]=4 12558 B10R0.75 CC(SCCCCO)C(=O)N 62a_100000210776_100000702099 [0,2,0,0,0,0|2,0,0]=4 12559 B10R0.75 CC(SCCCCO)C(=O)N 62a_100000702099_100000210776 [0,2,0,0,0,0|2,0,0]=4 12560 B10R0.75 CC/C=C\CCC(=O)C(C)C 1458a_100000210198_100015370543 [0,2,0,0,0,0|0,0,2]=4 12561 B10R0.75 CC/C=C\CCC(=O)C(C)F 1458a_100000062450_100015370543 [0,2,0,0,0,0|0,0,2]=4 12562 B10R0.75 CC/C=C\CCC(=O)C(O)O 1458a_100000233687_100015370543 [0,2,0,0,0,0|0,0,2]=4 12563 B10R0.75 CC/C=C\CCC(=O)[C@@H](C)O 1458a_100000717761_100015370543 [0,2,0,0,0,0|0,0,2]=4 12564 B10R0.75 CC/C=C\CCC(=O)[C@H](C)O 1458a_217856618621_100015370543 [0,2,0,0,0,0|0,0,2]=4 12565 B10R0.75 CC/C=C\COC(C)C(=O)C 34a_100000212229_100103147603 [0,2,0,0,0,0|0,0,2]=4 12566 B10R0.75 CC/C=C\CSC(C)C(=O)C 62a_100009814033_100103147603 [0,2,0,0,0,0|0,0,2]=4 12567 B10R0.75 CC/C=C\CSC(C)C(=O)C 62a_100103147603_100009814033 [0,2,0,0,0,0|0,0,2]=4 12568 B10R0.75 CC=CCOCC(C)C(=O)C 34a_100000032740_100000070051 [0,2,0,0,0,0|0,0,2]=4 12569 B10R0.75 CC=CCOCC(C)C(=O)C 7a_100000032740_100000070051 [0,2,0,0,0,0|0,0,2]=4 12570 B10R0.75 CCC#CCOC(C)C(=O)C 34a_100000212229_100009813939 [0,2,0,0,0,0|0,0,2]=4 12571 B10R0.75 CCC#CCSC(C)C(=O)C 62a_100009813939_100009814033 [0,2,0,0,0,0|0,0,2]=4 12572 B10R0.75 CCC#CCSC(C)C(=O)C 62a_100009814033_100009813939 [0,2,0,0,0,0|0,0,2]=4 12573 B10R0.75 CCC/C=C/CC(=O)C(C)C 1458a_200016266809_100000210206 [0,2,0,0,0,0|0,0,2]=4 12574 B10R0.75 CCC/C=C/CC(=O)N(C)C 11a_100102631434_200016266809 [0,2,0,0,0,0|0,0,2]=4 12575 B10R0.75 CCC/C=C/CC(=O)N(C)C 1626a_100102631434_200016266809 [0,2,0,0,0,0|0,0,2]=4 12576 B10R0.75 CCC/C=C/CC(=O)N(C)C 240690a_100102631434_200016266809 [0,2,0,0,0,0|0,0,2]=4 12577 B10R0.75 CCC/C=C/CC(=O)N(C)C 527a_100102631434_200016266809 [0,2,0,0,0,0|0,0,2]=4 12578 B10R0.75 CCCCC=CC(=O)C(C)C 1458a_100016266645_100000210206 [0,2,0,0,0,0|0,0,2]=4 12579 B10R0.75 CCCCC=CC(=O)N(C)C 11a_100102631434_100016266645 [0,2,0,0,0,0|0,0,2]=4 12580 B10R0.75 CCCCC=CC(=O)N(C)C 1626a_100102631434_100016266645 [0,2,0,0,0,0|0,0,2]=4 12581 B10R0.75 CCCCC=CC(=O)N(C)C 240690a_100102631434_100016266645 [0,2,0,0,0,0|0,0,2]=4 12582 B10R0.75 CCCCCCC(=O)C(C)C 1458a_100000210198_100000210757 [0,2,0,0,0,0|0,0,0]=2 12583 B10R0.75 CCCCCCC(=O)C(C)C 1458a_100102632555_100000210206 [0,2,0,0,0,0|0,0,0]=2 12584 B10R0.75 CCCCCCC(=O)C(C)F 1458a_100000062450_100000210757 [0,2,0,0,0,0|0,0,0]=2 12585 B10R0.75 CCCCCCC(=O)C(O)O 1458a_100000233687_100000210757 [0,2,0,0,0,0|0,0,0]=2 12586 B10R0.75 CCCCCCC(=O)N(C)C 11a_100102631434_100102632555 [0,2,0,0,0,0|0,0,0]=2 12587 B10R0.75 CCCCCCC(=O)N(C)C 1626a_100102631434_100102632555 [0,2,0,0,0,0|0,0,0]=2 12588 B10R0.75 CCCCCCC(=O)N(C)C 240690a_100102631434_100102632555 [0,2,0,0,0,0|0,0,0]=2 12589 B10R0.75 CCCCCCC(=O)N(C)C 527a_100102631434_100102632555 [0,2,0,0,0,0|0,0,0]=2 12590 B10R0.75 CCCCCCC(=O)[C@@H](C)O 1458a_100000717761_100000210757 [0,2,0,0,0,0|0,0,0]=2 12591 B10R0.75 CCCCCCC(=O)[C@H](C)O 1458a_217856618621_100000210757 [0,2,0,0,0,0|0,0,0]=2 12592 B10R0.75 CCCCCCC(C)C(=O)C 1458a_100000070787_100011215978 [0,2,0,0,0,0|0,0,0]=2 12593 B10R0.75 CCCCCCC(C)N(C)C 2230a_100102631434_100011215978 [0,2,0,0,0,0|1,0,1]=4 12594 B10R0.75 CCCCCCC(C)N(C)C 269982a_100102631434_100011215978 [0,2,0,0,0,0|1,0,1]=4 12595 B10R0.75 CCCCCCC(C)N(C)C 270004a_100102631434_100000210826 [0,2,0,0,0,0|1,0,1]=4 12596 B10R0.75 CCCCCCC(O)C(=O)C 1458a_100011215828_200000210301 [0,2,0,0,0,0|0,0,0]=2 12597 B10R0.75 CCCCCCC(O)C(=O)[13CH3] 1458a_100011215828_200025704644 [0,2,0,0,0,0|0,0,0]=2 12598 B10R0.75 CCCCCCN(C)C(=O)C 11a_106256046315_100015343762 [0,2,0,0,0,0|0,0,0]=2 12599 B10R0.75 CCCCCCN(C)C(=O)C 1626a_106256046315_100015343762 [0,2,0,0,0,0|0,0,0]=2 12600 B10R0.75 CCCCCCN(C)C(=O)C 240690a_106256046315_100015343762 [0,2,0,0,0,0|0,0,0]=2 12601 B10R0.75 CCCCCCN(C)C(=O)C 527a_106256046315_100103153847 [0,2,0,0,0,0|0,0,0]=2 12602 B10R0.75 CCCCCCN(C)C(C)C 2230a_106256046315_100000210206 [0,2,0,0,0,0|1,0,1]=4 12603 B10R0.75 CCCCCCN(C)C(C)C 269982a_106256046315_100000210206 [0,2,0,0,0,0|1,0,1]=4 12604 B10R0.75 CCCCCCN(C)C(C)C 269982a_200000211004_100000210757 [0,2,0,0,0,0|1,0,1]=4 12605 B10R0.75 CCCCCNC(=O)C(=O)N 240690a_100000209983_100011215815 [0,2,0,0,0,0|1,0,1]=4 12606 B10R0.75 CCCCCNC(=O)C(C)C 11a_100000209983_100000210198 [0,2,0,0,0,0|1,0,0]=3 12607 B10R0.75 CCCCCNC(=O)C(C)C 1626a_100000209983_100000210198 [0,2,0,0,0,0|1,0,0]=3 12608 B10R0.75 CCCCCNC(=O)C(C)C 240690a_100000209983_100000210198 [0,2,0,0,0,0|1,0,0]=3 12609 B10R0.75 CCCCCNC(=O)C(C)C 527a_100000209983_100000210198 [0,2,0,0,0,0|1,0,0]=3 12610 B10R0.75 CCCCCNC(=O)C(C)F 11a_100000209983_100000062450 [0,2,0,0,0,0|1,0,0]=3 12611 B10R0.75 CCCCCNC(=O)C(C)F 1626a_100000209983_100000062450 [0,2,0,0,0,0|1,0,0]=3 12612 B10R0.75 CCCCCNC(=O)C(C)F 240690a_100000209983_100000062450 [0,2,0,0,0,0|1,0,0]=3 12613 B10R0.75 CCCCCNC(=O)C(C)F 527a_100000209983_100000062450 [0,2,0,0,0,0|1,0,0]=3 12614 B10R0.75 CCCCCNC(=O)C(F)F 11a_100000209983_100000210393 [0,2,0,0,0,0|1,0,0]=3 12615 B10R0.75 CCCCCNC(=O)C(F)F 1626a_100000209983_100000210393 [0,2,0,0,0,0|1,0,0]=3 12616 B10R0.75 CCCCCNC(=O)C(F)F 240690a_100000209983_100000210393 [0,2,0,0,0,0|1,0,0]=3 12617 B10R0.75 CCCCCNC(=O)C(F)F 527a_100000209983_100000210393 [0,2,0,0,0,0|1,0,0]=3 12618 B10R0.75 CCCCCNC(=O)C(O)O 240690a_100000209983_100000233687 [0,2,0,0,0,0|1,0,0]=3 12619 B10R0.75 CCCCCNC(=O)N(C)C 2708a_100000209983_100102631434 [0,2,0,0,0,0|1,0,0]=3 12620 B10R0.75 CCCCCNC(=O)[C@@H](C)O 240690a_100000209983_100000717761 [0,2,0,0,0,0|1,0,0]=3 12621 B10R0.75 CCCCCNC(=O)[C@H](C)O 1626a_100000209983_217856618621 [0,2,0,0,0,0|1,0,0]=3 12622 B10R0.75 CCCCCNC(=O)[C@H](C)O 240690a_100000209983_217856618621 [0,2,0,0,0,0|1,0,0]=3 12623 B10R0.75 CCCCCNC(C)C(=O)C 2230a_100000209983_100009814033 [0,2,0,0,0,0|0,0,0]=2 12624 B10R0.75 CCCCCNC(C)C(=O)N 2230a_100000209983_100000702099 [0,2,0,0,0,0|1,0,0]=3 12625 B10R0.75 CCCCCNC(C)C(C)C 2230a_100000211541_100000210326 [0,2,0,0,0,0|1,0,1]=4 12626 B10R0.75 CCCCCNC(F)C(=O)N 2230a_100000209983_100009813875 [0,2,0,0,0,0|1,0,0]=3 12627 B10R0.75 CCCCCN[C@@H](C)C(=O)O 269956a_100000743915_100000210326 [0,2,0,0,0,0|1,0,0]=3 12628 B10R0.75 CCCCCN[C@H](C)C(=O)N 2230a_100000119354_100000210326 [0,2,0,0,0,0|1,0,0]=3 12629 B10R0.75 CCCCCN[C@H](C)C(=O)N 34a_100000119354_100000718602 [0,2,0,0,0,0|1,0,0]=3 12630 B10R0.75 CCCCCOC(C)C(=O)C 34a_100000212229_100000718602 [0,2,0,0,0,0|0,0,0]=2 12631 B10R0.75 CCCCCOC(C)C(=O)C 7a_100000210253_100000179758 [0,2,0,0,0,0|0,0,0]=2 12632 B10R0.75 CCCCCOC(C)C(=O)N 34a_100000210253_100000702099 [0,2,0,0,0,0|1,0,0]=3 12633 B10R0.75 CCCCCOC(C)C(=O)N 7a_100000210253_100000702099 [0,2,0,0,0,0|1,0,0]=3 12634 B10R0.75 CCCCCOC(C)C(C)C 7a_100000748068_100000210326 [0,2,0,0,0,0|1,0,1]=4 12635 B10R0.75 CCCCCOC(F)C(=O)N 34a_100000210253_100009813875 [0,2,0,0,0,0|1,0,0]=3 12636 B10R0.75 CCCCCOC(F)C(=O)N 7a_100000210253_100009813875 [0,2,0,0,0,0|1,0,0]=3 12637 B10R0.75 CCCCCOC(F)C(=O)[O-] 34a_100000210253_100020610796 [0,2,0,0,0,0|1,0,0]=3 12638 B10R0.75 CCCCCO[C@@H](C)C(=O)[O-] 7a_217856618621_100000210326 [0,2,0,0,0,0|1,0,0]=3 12639 B10R0.75 CCCCCO[C@H](C)C(=O)N 34a_100000731257_100000718602 [0,2,0,0,0,0|1,0,0]=3 12640 B10R0.75 CCCCCO[C@H](C)C(=O)N 7a_100000731257_100000210326 [0,2,0,0,0,0|1,0,0]=3 12641 B10R0.75 CCCCCSC(C)C(=O)C 62a_100000210326_100009814033 [0,2,0,0,0,0|0,0,0]=2 12642 B10R0.75 CCCCCSC(C)C(=O)C 62a_100009814033_100000210326 [0,2,0,0,0,0|0,0,0]=2 12643 B10R0.75 CCCCCSC(C)C(=O)N 62a_100000210326_100000702099 [0,2,0,0,0,0|1,0,0]=3 12644 B10R0.75 CCCCCSC(C)C(=O)N 62a_100000702099_100000210326 [0,2,0,0,0,0|1,0,0]=3 12645 B10R0.75 CCCCCSC(F)C(=O)N 62a_100000210326_100009813875 [0,2,0,0,0,0|1,0,0]=3 12646 B10R0.75 CCCCCSC(F)C(=O)N 62a_100009813875_100000210326 [0,2,0,0,0,0|1,0,0]=3 12647 B10R0.75 CCCCCSC(F)C(=O)[O-] 62a_100000210326_100020610796 [0,2,0,0,0,0|1,0,0]=3 12648 B10R0.75 CCCCCSC(F)C(=O)[O-] 62a_100020610796_100000210326 [0,2,0,0,0,0|1,0,0]=3 12649 B10R0.75 CCCCNCC(=O)C(C)C 2230a_100000102301_100000753385 [0,2,0,0,0,0|1,0,0]=3 12650 B10R0.75 CCCCNCC(=O)C(C)C 7a_106832991798_100000753385 [0,2,0,0,0,0|1,0,0]=3 12651 B10R0.75 CCCCNCC(=O)N(C)C 2230a_100000102301_100000185267 [0,2,0,0,0,0|1,0,0]=3 12652 B10R0.75 CCCCNCC(=O)N(C)C 2230a_100015183351_100000210211 [0,2,0,0,0,0|1,0,0]=3 12653 B10R0.75 CCCCNCC(=O)N(C)C 7a_106832991798_100000692301 [0,2,0,0,0,0|1,0,0]=3 12654 B10R0.75 CCCCNCC(C)C(=O)O 269956a_100000749485_100000210211 [0,2,0,0,0,0|1,0,0]=3 12655 B10R0.75 CCCCNCC(F)C(=O)O 269956a_100000084737_100000210211 [0,2,0,0,0,0|1,0,0]=3 12656 B10R0.75 CCCCNCC(O)C(C)C 2230a_100000759067_100000210211 [0,2,0,0,0,0|1,0,1]=4 12657 B10R0.75 CCCCNCC(O)C(C)C 34a_100000759067_100000210210 [0,2,0,0,0,0|1,0,1]=4 12658 B10R0.75 CCCCNNC(=O)C(C)C 22a_100025702795_100000210198 [0,2,0,0,0,0|2,0,0]=4 12659 B10R0.75 CCCCNNC(=O)C(C)F 22a_100025702795_100000062450 [0,2,0,0,0,0|2,0,0]=4 12660 B10R0.75 CCCCNNC(=O)C(F)F 22a_100025702795_100000210393 [0,2,0,0,0,0|2,0,0]=4 12661 B10R0.75 CCCCNNC(=O)C(O)O 22a_100025702795_100000233687 [0,2,0,0,0,0|2,0,0]=4 12662 B10R0.75 CCCCNNC(=O)[C@@H](C)O 22a_100025702795_100000717761 [0,2,0,0,0,0|2,0,0]=4 12663 B10R0.75 CCCCNNC(=O)[C@H](C)O 22a_100025702795_217856618621 [0,2,0,0,0,0|2,0,0]=4 12664 B10R0.75 CCCCOCC(=O)C(=O)C 34a_100000210227_100011261029 [0,2,0,0,0,0|0,0,1]=3 12665 B10R0.75 CCCCOCC(=O)C(C)C 1458a_100000210198_100011995733 [0,2,0,0,0,0|1,0,0]=3 12666 B10R0.75 CCCCOCC(=O)C(C)C 1458a_100000757543_100000210206 [0,2,0,0,0,0|1,0,0]=3 12667 B10R0.75 CCCCOCC(=O)C(C)C 34a_100000210227_100000753385 [0,2,0,0,0,0|1,0,0]=3 12668 B10R0.75 CCCCOCC(=O)C(C)C 7a_100000210227_100000753385 [0,2,0,0,0,0|1,0,0]=3 12669 B10R0.75 CCCCOCC(=O)C(C)F 1458a_100000062450_100011995733 [0,2,0,0,0,0|1,0,0]=3 12670 B10R0.75 CCCCOCC(=O)C(O)O 1458a_100000233687_100011995733 [0,2,0,0,0,0|1,0,0]=3 12671 B10R0.75 CCCCOCC(=O)N(C)C 11a_100102631434_100000757543 [0,2,0,0,0,0|1,0,0]=3 12672 B10R0.75 CCCCOCC(=O)N(C)C 1626a_100102631434_100000757543 [0,2,0,0,0,0|1,0,0]=3 12673 B10R0.75 CCCCOCC(=O)N(C)C 240690a_100102631434_100000757543 [0,2,0,0,0,0|1,0,0]=3 12674 B10R0.75 CCCCOCC(=O)N(C)C 34a_100000210227_100000692301 [0,2,0,0,0,0|1,0,0]=3 12675 B10R0.75 CCCCOCC(=O)N(C)C 527a_100102631434_100000757543 [0,2,0,0,0,0|1,0,0]=3 12676 B10R0.75 CCCCOCC(=O)N(C)C 7a_100000210227_100000692301 [0,2,0,0,0,0|1,0,0]=3 12677 B10R0.75 CCCCOCC(=O)[C@@H](C)O 1458a_100000717761_100011995733 [0,2,0,0,0,0|1,0,0]=3 12678 B10R0.75 CCCCOCC(=O)[C@H](C)O 1458a_217856618621_100011995733 [0,2,0,0,0,0|1,0,0]=3 12679 B10R0.75 CCCCOCC(C)C(=O)C 34a_100000032740_100000210210 [0,2,0,0,0,0|0,0,0]=2 12680 B10R0.75 CCCCOCC(C)C(=O)C 7a_100000032740_100000210211 [0,2,0,0,0,0|0,0,0]=2 12681 B10R0.75 CCCCOCC(C)[N+](=O)[O-] 34a_100000039676_100000210210 [0,2,0,0,0,0|1,0,1]=4 12682 B10R0.75 CCCCOCC(C)[N+](=O)[O-] 7a_100000039676_100000210211 [0,2,0,0,0,0|1,0,1]=4 12683 B10R0.75 CCCCOC[C@H](N)C(=O)N 34a_100000729942_100000210210 [0,2,0,0,0,0|1,0,0]=3 12684 B10R0.75 CCCCOC[C@H](N)C(C)C 34a_100011830312_100000210210 [0,2,0,0,0,0|1,0,1]=4 12685 B10R0.75 CCCCSCC(=O)C(=O)C 62a_100000210211_100011261029 [0,2,0,0,0,0|0,0,1]=3 12686 B10R0.75 CCCCSCC(=O)C(=O)C 62a_100011261029_100000210210 [0,2,0,0,0,0|0,0,1]=3 12687 B10R0.75 CCCCSCC(=O)C(C)C 1458a_100000191162_100000210206 [0,2,0,0,0,0|1,0,0]=3 12688 B10R0.75 CCCCSCC(=O)C(C)C 62a_100000210211_100000753385 [0,2,0,0,0,0|1,0,0]=3 12689 B10R0.75 CCCCSCC(=O)C(C)C 62a_100000753385_100000210210 [0,2,0,0,0,0|1,0,0]=3 12690 B10R0.75 CCCCSCC(=O)N(C)C 11a_100102631434_100000191162 [0,2,0,0,0,0|1,0,0]=3 12691 B10R0.75 CCCCSCC(=O)N(C)C 1626a_100102631434_100000191162 [0,2,0,0,0,0|1,0,0]=3 12692 B10R0.75 CCCCSCC(=O)N(C)C 240690a_100102631434_100000191162 [0,2,0,0,0,0|1,0,0]=3 12693 B10R0.75 CCCCSCC(=O)N(C)C 527a_100102631434_100000191162 [0,2,0,0,0,0|1,0,0]=3 12694 B10R0.75 CCCCSCC(=O)N(C)C 62a_100000210211_100000692301 [0,2,0,0,0,0|1,0,0]=3 12695 B10R0.75 CCCCSCC(=O)N(C)C 62a_100000692301_100000210210 [0,2,0,0,0,0|1,0,0]=3 12696 B10R0.75 CCCNCCC(=O)N(C)C 2230a_100000738053_100000210303 [0,2,0,0,0,0|1,0,0]=3 12697 B10R0.75 CCCOCCC(=O)C(C)C 1458a_100000210198_100011215938 [0,2,0,0,0,0|1,0,0]=3 12698 B10R0.75 CCCOCCC(=O)C(C)F 1458a_100000062450_100011215938 [0,2,0,0,0,0|1,0,0]=3 12699 B10R0.75 CCCOCCC(=O)C(O)O 1458a_100000233687_100011215938 [0,2,0,0,0,0|1,0,0]=3 12700 B10R0.75 CCCOCCC(=O)N(C)C 34a_200000747469_100000210303 [0,2,0,0,0,0|1,0,0]=3 12701 B10R0.75 CCCOCCC(=O)[C@@H](C)O 1458a_100000717761_100011215938 [0,2,0,0,0,0|1,0,0]=3 12702 B10R0.75 CCCOCCC(=O)[C@H](C)O 1458a_217856618621_100011215938 [0,2,0,0,0,0|1,0,0]=3 12703 B10R0.75 CCCOCCC(N)C(C)C 34a_100161115045_100000210303 [0,2,0,0,0,0|1,0,1]=4 12704 B10R0.75 CCCSCCC(=O)N(C)C 62a_100000210303_100000737620 [0,2,0,0,0,0|1,0,0]=3 12705 B10R0.75 CCCSCCC(=O)N(C)C 62a_100000737620_100000210303 [0,2,0,0,0,0|1,0,0]=3 12706 B10R0.75 CCCSCOC(=O)C(C)C 62a_100000139345_100000210303 [0,2,0,0,0,0|2,0,0]=4 12707 B10R0.75 CCCSCOC(=O)C(C)C 62a_100000210303_100000139345 [0,2,0,0,0,0|2,0,0]=4 12708 B10R0.75 CCNCCCC(=O)N(C)C 2230a_100015525214_100000737642 [0,2,0,0,0,0|1,0,0]=3 12709 B10R0.75 CCNCCCC(=O)N(C)C 2230a_200000744827_100000210202 [0,2,0,0,0,0|1,0,0]=3 12710 B10R0.75 CCNCCNC(=O)C(C)C 2230a_100000752568_100000210202 [0,2,0,0,0,0|2,0,0]=4 12711 B10R0.75 CCNCCNC(=O)C(C)C 34a_100000752568_100000210202 [0,2,0,0,0,0|2,0,0]=4 12712 B10R0.75 CCOCCCC(=O)C(C)C 1458a_100000210198_100012232248 [0,2,0,0,0,0|1,0,0]=3 12713 B10R0.75 CCOCCCC(=O)C(C)F 1458a_100000062450_100012232248 [0,2,0,0,0,0|1,0,0]=3 12714 B10R0.75 CCOCCCC(=O)C(O)O 1458a_100000233687_100012232248 [0,2,0,0,0,0|1,0,0]=3 12715 B10R0.75 CCOCCCC(=O)[C@@H](C)O 1458a_100000717761_100012232248 [0,2,0,0,0,0|1,0,0]=3 12716 B10R0.75 CCOCCCC(=O)[C@H](C)O 1458a_217856618621_100012232248 [0,2,0,0,0,0|1,0,0]=3 12717 B10R0.75 CCOCCNC(=O)C(C)C 11a_100011200944_100000210198 [0,2,0,0,0,0|2,0,0]=4 12718 B10R0.75 CCOCCNC(=O)C(C)C 1626a_102516460346_100000210198 [0,2,0,0,0,0|2,0,0]=4 12719 B10R0.75 CCOCCNC(=O)C(C)C 240690a_100011200944_100000210198 [0,2,0,0,0,0|2,0,0]=4 12720 B10R0.75 CCOCCNC(=O)C(C)C 527a_100011200944_100000210198 [0,2,0,0,0,0|2,0,0]=4 12721 B10R0.75 CCOCCNC(=O)C(C)F 11a_100011200944_100000062450 [0,2,0,0,0,0|2,0,0]=4 12722 B10R0.75 CCOCCNC(=O)C(C)F 1626a_102516460346_100000062450 [0,2,0,0,0,0|2,0,0]=4 12723 B10R0.75 CCOCCNC(=O)C(C)F 240690a_100011200944_100000062450 [0,2,0,0,0,0|2,0,0]=4 12724 B10R0.75 CCOCCNC(=O)C(C)F 527a_100011200944_100000062450 [0,2,0,0,0,0|2,0,0]=4 12725 B10R0.75 CCOCCNC(=O)C(F)F 11a_100011200944_100000210393 [0,2,0,0,0,0|2,0,0]=4 12726 B10R0.75 CCOCCNC(=O)C(F)F 1626a_102516460346_100000210393 [0,2,0,0,0,0|2,0,0]=4 12727 B10R0.75 CCOCCNC(=O)C(F)F 240690a_100011200944_100000210393 [0,2,0,0,0,0|2,0,0]=4 12728 B10R0.75 CCOCCNC(=O)C(F)F 527a_100011200944_100000210393 [0,2,0,0,0,0|2,0,0]=4 12729 B10R0.75 CCOCCNC(=O)C(O)O 240690a_100011200944_100000233687 [0,2,0,0,0,0|2,0,0]=4 12730 B10R0.75 CCOCCNC(=O)N(C)C 2708a_100011200944_100102631434 [0,2,0,0,0,0|2,0,0]=4 12731 B10R0.75 CCOCCNC(=O)[C@@H](C)O 240690a_100011200944_100000717761 [0,2,0,0,0,0|2,0,0]=4 12732 B10R0.75 CCOCCNC(=O)[C@H](C)O 1626a_102516460346_217856618621 [0,2,0,0,0,0|2,0,0]=4 12733 B10R0.75 CCOCCNC(=O)[C@H](C)O 240690a_100011200944_217856618621 [0,2,0,0,0,0|2,0,0]=4 12734 B10R0.75 CCOCCNC(C)C(=O)C 2230a_102516460346_100009814033 [0,2,0,0,0,0|1,0,0]=3 12735 B10R0.75 CCOCCNC(C)C(=O)N 2230a_102516460346_100000702099 [0,2,0,0,0,0|2,0,0]=4 12736 B10R0.75 CCOCCNC(C)C(=O)N 34a_102516460346_100000702099 [0,2,0,0,0,0|2,0,0]=4 12737 B10R0.75 CCOCCNC(F)C(=O)N 2230a_102516460346_100009813875 [0,2,0,0,0,0|2,0,0]=4 12738 B10R0.75 CCOCCNC(F)C(=O)N 34a_102516460346_100009813875 [0,2,0,0,0,0|2,0,0]=4 12739 B10R0.75 CCOCCNC(F)C(=O)[O-] 34a_102516460346_100020610796 [0,2,0,0,0,0|2,0,0]=4 12740 B10R0.75 CCOCCN[C@@H](C)C(=O)O 269956a_100000743915_100000210147 [0,2,0,0,0,0|2,0,0]=4 12741 B10R0.75 CCOCCN[C@H](C)C(=O)N 2230a_100000119354_100011215890 [0,2,0,0,0,0|2,0,0]=4 12742 B10R0.75 CCOCCN[C@H](C)C(=O)N 34a_100000119354_100000210147 [0,2,0,0,0,0|2,0,0]=4 12743 B10R0.75 CCOCCOC(C)C(=O)C 1458a_100000743585_200000210301 [0,2,0,0,0,0|1,0,0]=3 12744 B10R0.75 CCOCCOC(C)C(=O)C 34a_100000212229_100000210147 [0,2,0,0,0,0|1,0,0]=3 12745 B10R0.75 CCOCCOC(C)C(=O)C 7a_100000210136_100000179758 [0,2,0,0,0,0|1,0,0]=3 12746 B10R0.75 CCOCCOC(C)C(=O)N 34a_100000210136_100000702099 [0,2,0,0,0,0|2,0,0]=4 12747 B10R0.75 CCOCCOC(C)C(=O)N 7a_100000210136_100000702099 [0,2,0,0,0,0|2,0,0]=4 12748 B10R0.75 CCOCCOC(C)C(=O)[13CH3] 1458a_100000743585_200025704644 [0,2,0,0,0,0|1,0,0]=3 12749 B10R0.75 CCOCCOC(F)C(=O)N 34a_100000210136_100009813875 [0,2,0,0,0,0|2,0,0]=4 12750 B10R0.75 CCOCCOC(F)C(=O)N 7a_100000210136_100009813875 [0,2,0,0,0,0|2,0,0]=4 12751 B10R0.75 CCOCCOC(F)C(=O)[O-] 34a_100000210136_100020610796 [0,2,0,0,0,0|2,0,0]=4 12752 B10R0.75 CCOCCO[C@@H](C)C(=O)[O-] 7a_217856618621_100011215890 [0,2,0,0,0,0|2,0,0]=4 12753 B10R0.75 CCOCCO[C@H](C)C(=O)N 34a_100000731257_100000210147 [0,2,0,0,0,0|2,0,0]=4 12754 B10R0.75 CCOCCO[C@H](C)C(=O)N 7a_100000731257_100011215890 [0,2,0,0,0,0|2,0,0]=4 12755 B10R0.75 CCOCCSC(C)C(=O)C 62a_100000210147_100009814033 [0,2,0,0,0,0|1,0,0]=3 12756 B10R0.75 CCOCCSC(C)C(=O)C 62a_100009814033_100011215890 [0,2,0,0,0,0|1,0,0]=3 12757 B10R0.75 CCOCCSC(C)C(=O)N 62a_100000210147_100000702099 [0,2,0,0,0,0|2,0,0]=4 12758 B10R0.75 CCOCCSC(C)C(=O)N 62a_100000702099_100011215890 [0,2,0,0,0,0|2,0,0]=4 12759 B10R0.75 CCOCCSC(F)C(=O)N 62a_100000210147_100009813875 [0,2,0,0,0,0|2,0,0]=4 12760 B10R0.75 CCOCCSC(F)C(=O)N 62a_100009813875_100011215890 [0,2,0,0,0,0|2,0,0]=4 12761 B10R0.75 CCOCCSC(F)C(=O)[O-] 62a_100000210147_100020610796 [0,2,0,0,0,0|2,0,0]=4 12762 B10R0.75 CCOCCSC(F)C(=O)[O-] 62a_100020610796_100011215890 [0,2,0,0,0,0|2,0,0]=4 12763 B10R0.75 CCOCNCC(C)C(=O)O 269956a_100000749485_100000739092 [0,2,0,0,0,0|2,0,0]=4 12764 B10R0.75 CCOCNCC(F)C(=O)O 269956a_100000084737_100000739092 [0,2,0,0,0,0|2,0,0]=4 12765 B10R0.75 CCOCSCC(=O)C(=O)C 62a_100000739092_100011261029 [0,2,0,0,0,0|1,0,1]=4 12766 B10R0.75 CCOCSCC(=O)C(=O)C 62a_100011261029_100000739092 [0,2,0,0,0,0|1,0,1]=4 12767 B10R0.75 CCOCSCC(=O)C(C)C 62a_100000739092_100000753385 [0,2,0,0,0,0|2,0,0]=4 12768 B10R0.75 CCOCSCC(=O)C(C)C 62a_100000753385_100000739092 [0,2,0,0,0,0|2,0,0]=4 12769 B10R0.75 CCOCSCC(=O)N(C)C 62a_100000692301_100000739092 [0,2,0,0,0,0|2,0,0]=4 12770 B10R0.75 CCOCSCC(=O)N(C)C 62a_100000739092_100000692301 [0,2,0,0,0,0|2,0,0]=4 12771 B10R0.75 CCSCCCC(=O)N(C)C 62a_100000210202_100000737642 [0,2,0,0,0,0|1,0,0]=3 12772 B10R0.75 CCSCCCC(=O)N(C)C 62a_100000737642_100000210202 [0,2,0,0,0,0|1,0,0]=3 12773 B10R0.75 CCSCCNC(=O)C(C)C 11a_100000106463_100000210198 [0,2,0,0,0,0|2,0,0]=4 12774 B10R0.75 CCSCCNC(=O)C(C)C 1626a_100000106463_100000210198 [0,2,0,0,0,0|2,0,0]=4 12775 B10R0.75 CCSCCNC(=O)C(C)C 240690a_100000106463_100000210198 [0,2,0,0,0,0|2,0,0]=4 12776 B10R0.75 CCSCCNC(=O)C(C)C 527a_100000106463_100000210198 [0,2,0,0,0,0|2,0,0]=4 12777 B10R0.75 CCSCCNC(=O)C(C)F 11a_100000106463_100000062450 [0,2,0,0,0,0|2,0,0]=4 12778 B10R0.75 CCSCCNC(=O)C(C)F 1626a_100000106463_100000062450 [0,2,0,0,0,0|2,0,0]=4 12779 B10R0.75 CCSCCNC(=O)C(C)F 240690a_100000106463_100000062450 [0,2,0,0,0,0|2,0,0]=4 12780 B10R0.75 CCSCCNC(=O)C(C)F 527a_100000106463_100000062450 [0,2,0,0,0,0|2,0,0]=4 12781 B10R0.75 CCSCCNC(=O)C(F)F 11a_100000106463_100000210393 [0,2,0,0,0,0|2,0,0]=4 12782 B10R0.75 CCSCCNC(=O)C(F)F 1626a_100000106463_100000210393 [0,2,0,0,0,0|2,0,0]=4 12783 B10R0.75 CCSCCNC(=O)C(F)F 240690a_100000106463_100000210393 [0,2,0,0,0,0|2,0,0]=4 12784 B10R0.75 CCSCCNC(=O)C(F)F 527a_100000106463_100000210393 [0,2,0,0,0,0|2,0,0]=4 12785 B10R0.75 CCSCCNC(=O)C(O)O 240690a_100000106463_100000233687 [0,2,0,0,0,0|2,0,0]=4 12786 B10R0.75 CCSCCNC(=O)N(C)C 2708a_100000106463_100102631434 [0,2,0,0,0,0|2,0,0]=4 12787 B10R0.75 CCSCCNC(=O)[C@@H](C)O 240690a_100000106463_100000717761 [0,2,0,0,0,0|2,0,0]=4 12788 B10R0.75 CCSCCNC(=O)[C@H](C)O 1626a_100000106463_217856618621 [0,2,0,0,0,0|2,0,0]=4 12789 B10R0.75 CCSCCNC(=O)[C@H](C)O 240690a_100000106463_217856618621 [0,2,0,0,0,0|2,0,0]=4 12790 B10R0.75 CCSCCNC(C)C(=O)C 2230a_100000106463_100009814033 [0,2,0,0,0,0|1,0,0]=3 12791 B10R0.75 CCSCCNC(C)C(=O)N 2230a_100000106463_100000702099 [0,2,0,0,0,0|2,0,0]=4 12792 B10R0.75 CCSCCNC(F)C(=O)N 2230a_100000106463_100009813875 [0,2,0,0,0,0|2,0,0]=4 12793 B10R0.75 CCSCCN[C@@H](C)C(=O)O 269956a_100000743915_100000757381 [0,2,0,0,0,0|2,0,0]=4 12794 B10R0.75 CCSCCN[C@H](C)C(=O)N 2230a_100000119354_100000757381 [0,2,0,0,0,0|2,0,0]=4 12795 B10R0.75 CCSCCN[C@H](C)C(=O)N 34a_100000119354_100000757381 [0,2,0,0,0,0|2,0,0]=4 12796 B10R0.75 CCSCCOC(C)C(=O)C 34a_100000212229_100000757381 [0,2,0,0,0,0|1,0,0]=3 12797 B10R0.75 CCSCCOC(C)C(=O)C 7a_100000212035_100000179758 [0,2,0,0,0,0|1,0,0]=3 12798 B10R0.75 CCSCCOC(C)C(=O)N 34a_100000212035_100000702099 [0,2,0,0,0,0|2,0,0]=4 12799 B10R0.75 CCSCCOC(C)C(=O)N 7a_100000212035_100000702099 [0,2,0,0,0,0|2,0,0]=4 12800 B10R0.75 CCSCCOC(F)C(=O)N 34a_100000212035_100009813875 [0,2,0,0,0,0|2,0,0]=4 12801 B10R0.75 CCSCCOC(F)C(=O)N 7a_100000212035_100009813875 [0,2,0,0,0,0|2,0,0]=4 12802 B10R0.75 CCSCCOC(F)C(=O)[O-] 34a_100000212035_100020610796 [0,2,0,0,0,0|2,0,0]=4 12803 B10R0.75 CCSCCO[C@@H](C)C(=O)[O-] 7a_217856618621_100000757381 [0,2,0,0,0,0|2,0,0]=4 12804 B10R0.75 CCSCCO[C@H](C)C(=O)N 34a_100000731257_100000757381 [0,2,0,0,0,0|2,0,0]=4 12805 B10R0.75 CCSCCO[C@H](C)C(=O)N 7a_100000731257_100000757381 [0,2,0,0,0,0|2,0,0]=4 12806 B10R0.75 CCSCCSC(C)C(=O)C 62a_100000757381_100009814033 [0,2,0,0,0,0|1,0,0]=3 12807 B10R0.75 CCSCCSC(C)C(=O)C 62a_100009814033_100000757381 [0,2,0,0,0,0|1,0,0]=3 12808 B10R0.75 CCSCCSC(C)C(=O)N 62a_100000702099_100000757381 [0,2,0,0,0,0|2,0,0]=4 12809 B10R0.75 CCSCCSC(C)C(=O)N 62a_100000757381_100000702099 [0,2,0,0,0,0|2,0,0]=4 12810 B10R0.75 CCSCCSC(F)C(=O)N 62a_100000757381_100009813875 [0,2,0,0,0,0|2,0,0]=4 12811 B10R0.75 CCSCCSC(F)C(=O)N 62a_100009813875_100000757381 [0,2,0,0,0,0|2,0,0]=4 12812 B10R0.75 CCSCCSC(F)C(=O)[O-] 62a_100000757381_100020610796 [0,2,0,0,0,0|2,0,0]=4 12813 B10R0.75 CCSCCSC(F)C(=O)[O-] 62a_100020610796_100000757381 [0,2,0,0,0,0|2,0,0]=4 12814 B10R0.75 CN(C)C(=O)CCCCCO 240690a_100102631434_100102619762 [0,2,0,0,0,0|1,0,0]=3 12815 B10R0.75 CN(C)C(=O)CCCCS[13CH3] 62a_100000752486_200025704644 [0,2,0,0,0,0|1,0,0]=3 12816 B10R0.75 CN(C)C(=O)CCCCS[13CH3] 62a_200025704644_100000752486 [0,2,0,0,0,0|1,0,0]=3 12817 B10R0.75 CN(C)C(=O)CCCSCF 62a_100000737642_100015361967 [0,2,0,0,0,0|2,0,0]=4 12818 B10R0.75 CN(C)C(=O)CCCSCF 62a_100015361967_100000737642 [0,2,0,0,0,0|2,0,0]=4 12819 B10R0.75 CN(C)C(=O)CCNCCF 2230a_100000738053_100011217306 [0,2,0,0,0,0|2,0,0]=4 12820 B10R0.75 CN(C)C(=O)CCNCCO 2230a_100000738053_100000211926 [0,2,0,0,0,0|2,0,0]=4 12821 B10R0.75 CN(C)C(=O)CCNCCO 2230a_100016997473_100000737620 [0,2,0,0,0,0|2,0,0]=4 12822 B10R0.75 CN(C)C(=O)CCOCCF 34a_200000747469_100011217306 [0,2,0,0,0,0|2,0,0]=4 12823 B10R0.75 CN(C)C(=O)CCOCCO 1626a_100102631434_100011229844 [0,2,0,0,0,0|2,0,0]=4 12824 B10R0.75 CN(C)C(=O)CCOCCO 240690a_100102631434_100011229844 [0,2,0,0,0,0|2,0,0]=4 12825 B10R0.75 CN(C)C(=O)CCOCCO 34a_200000747469_100000211926 [0,2,0,0,0,0|2,0,0]=4 12826 B10R0.75 CN(C)C(=O)CCSCCF 62a_100000737620_100011217306 [0,2,0,0,0,0|2,0,0]=4 12827 B10R0.75 CN(C)C(=O)CCSCCF 62a_100011217306_100000737620 [0,2,0,0,0,0|2,0,0]=4 12828 B10R0.75 CN(C)C(=O)CCSCCO 62a_100000211926_100000737620 [0,2,0,0,0,0|2,0,0]=4 12829 B10R0.75 CN(C)C(=O)CCSCCO 62a_100000737620_100000211926 [0,2,0,0,0,0|2,0,0]=4 12830 B10R0.75 CN(C)C(=O)CNCCCF 2230a_100015183351_100011934791 [0,2,0,0,0,0|2,0,0]=4 12831 B10R0.75 CN(C)C(=O)CNCCCF 2230a_100015189416_100000185267 [0,2,0,0,0,0|2,0,0]=4 12832 B10R0.75 CN(C)C(=O)CNCCCF 34a_100015189416_100000692301 [0,2,0,0,0,0|2,0,0]=4 12833 B10R0.75 CN(C)C(=O)CNCCCO 2230a_100015183351_100000230001 [0,2,0,0,0,0|2,0,0]=4 12834 B10R0.75 CN(C)C(=O)COCCCBr 34a_100011217188_100000692301 [0,2,0,0,0,0|2,0,0]=4 12835 B10R0.75 CN(C)C(=O)COCCCCl 34a_100000230001_100000692301 [0,2,0,0,0,0|2,0,0]=4 12836 B10R0.75 CN(C)C(=O)COCCCF 34a_100000759539_100000692301 [0,2,0,0,0,0|2,0,0]=4 12837 B10R0.75 CN(C)C(=O)COCCCN 34a_100000182051_100000692301 [0,2,0,0,0,0|2,0,0]=4 12838 B10R0.75 CN(C)C(=O)CSCCCF 62a_100000692301_100011934791 [0,2,0,0,0,0|2,0,0]=4 12839 B10R0.75 CN(C)C(=O)CSCCCF 62a_100011934791_100000692301 [0,2,0,0,0,0|2,0,0]=4 12840 B10R0.75 CN(C)C(=O)CSCCCO 62a_100000692301_100011215043 [0,2,0,0,0,0|2,0,0]=4 12841 B10R0.75 CN(C)C(=O)CSCCCO 62a_100011215043_100000692301 [0,2,0,0,0,0|2,0,0]=4 12842 B10R0.75 CN(C)C(=O)NCCCCO 2708a_100000750430_100102631434 [0,2,0,0,0,0|2,0,0]=4 12843 B10R0.75 CNCCCCC(=O)N(C)C 34a_100102657272_100000752486 [0,2,0,0,0,0|1,0,0]=3 12844 B10R0.75 CNCCCCC(=O)N(C)C 7a_106832991635_100000752486 [0,2,0,0,0,0|1,0,0]=3 12845 B10R0.75 CNCCCOC(C)C(=O)N 34a_100000213112_100000702099 [0,2,0,0,0,0|2,0,0]=4 12846 B10R0.75 CNCCCOC(F)C(=O)N 34a_100000213112_100009813875 [0,2,0,0,0,0|2,0,0]=4 12847 B10R0.75 CNCCCOC(F)C(=O)[O-] 34a_100000213112_100020610796 [0,2,0,0,0,0|2,0,0]=4 12848 B10R0.75 COCCCCC(=O)C(C)C 1458a_100000210198_100000755781 [0,2,0,0,0,0|1,0,0]=3 12849 B10R0.75 COCCCCC(=O)C(C)F 1458a_100000062450_100000755781 [0,2,0,0,0,0|1,0,0]=3 12850 B10R0.75 COCCCCC(=O)C(O)O 1458a_100000233687_100000755781 [0,2,0,0,0,0|1,0,0]=3 12851 B10R0.75 COCCCCC(=O)N(C)C 34a_100138415774_100000752486 [0,2,0,0,0,0|1,0,0]=3 12852 B10R0.75 COCCCCC(=O)[C@@H](C)O 1458a_100000717761_100000755781 [0,2,0,0,0,0|1,0,0]=3 12853 B10R0.75 COCCCCC(=O)[C@H](C)O 1458a_217856618621_100000755781 [0,2,0,0,0,0|1,0,0]=3 12854 B10R0.75 COCCCNC(=O)C(C)C 1626a_100150723488_100000210198 [0,2,0,0,0,0|2,0,0]=4 12855 B10R0.75 COCCCNC(=O)C(C)C 240690a_100150723488_100000210198 [0,2,0,0,0,0|2,0,0]=4 12856 B10R0.75 COCCCNC(=O)C(C)C 527a_100150723488_100000210198 [0,2,0,0,0,0|2,0,0]=4 12857 B10R0.75 COCCCNC(=O)C(C)F 1626a_100150723488_100000062450 [0,2,0,0,0,0|2,0,0]=4 12858 B10R0.75 COCCCNC(=O)C(C)F 240690a_100150723488_100000062450 [0,2,0,0,0,0|2,0,0]=4 12859 B10R0.75 COCCCNC(=O)C(C)F 527a_100150723488_100000062450 [0,2,0,0,0,0|2,0,0]=4 12860 B10R0.75 COCCCNC(=O)C(F)F 1626a_100150723488_100000210393 [0,2,0,0,0,0|2,0,0]=4 12861 B10R0.75 COCCCNC(=O)C(F)F 240690a_100150723488_100000210393 [0,2,0,0,0,0|2,0,0]=4 12862 B10R0.75 COCCCNC(=O)C(F)F 527a_100150723488_100000210393 [0,2,0,0,0,0|2,0,0]=4 12863 B10R0.75 COCCCNC(=O)C(O)O 240690a_100150723488_100000233687 [0,2,0,0,0,0|2,0,0]=4 12864 B10R0.75 COCCCNC(=O)N(C)C 2708a_100150723488_100102631434 [0,2,0,0,0,0|2,0,0]=4 12865 B10R0.75 COCCCNC(=O)[C@@H](C)O 240690a_100150723488_100000717761 [0,2,0,0,0,0|2,0,0]=4 12866 B10R0.75 COCCCNC(=O)[C@H](C)O 1626a_100150723488_217856618621 [0,2,0,0,0,0|2,0,0]=4 12867 B10R0.75 COCCCNC(=O)[C@H](C)O 240690a_100150723488_217856618621 [0,2,0,0,0,0|2,0,0]=4 12868 B10R0.75 COCCCNC(C)C(=O)N 34a_100150723488_100000702099 [0,2,0,0,0,0|2,0,0]=4 12869 B10R0.75 COCCCNC(F)C(=O)N 34a_100150723488_100009813875 [0,2,0,0,0,0|2,0,0]=4 12870 B10R0.75 COCCCNC(F)C(=O)[O-] 34a_100150723488_100020610796 [0,2,0,0,0,0|2,0,0]=4 12871 B10R0.75 COCCCN[C@@H](C)C(=O)O 269956a_100000743915_100000740836 [0,2,0,0,0,0|2,0,0]=4 12872 B10R0.75 COCCCN[C@H](C)C(=O)N 2230a_100000119354_100000740836 [0,2,0,0,0,0|2,0,0]=4 12873 B10R0.75 COCCCN[C@H](C)C(=O)N 34a_100000119354_100000740836 [0,2,0,0,0,0|2,0,0]=4 12874 B10R0.75 COCCCOC(C)C(=O)C 34a_100000212229_100000740836 [0,2,0,0,0,0|1,0,0]=3 12875 B10R0.75 COCCCOC(C)C(=O)N 34a_100000740835_100000702099 [0,2,0,0,0,0|2,0,0]=4 12876 B10R0.75 COCCCOC(F)C(=O)N 34a_100000740835_100009813875 [0,2,0,0,0,0|2,0,0]=4 12877 B10R0.75 COCCCOC(F)C(=O)[O-] 34a_100000740835_100020610796 [0,2,0,0,0,0|2,0,0]=4 12878 B10R0.75 COCCCO[C@@H](C)C(=O)[O-] 7a_217856618621_100000740836 [0,2,0,0,0,0|2,0,0]=4 12879 B10R0.75 COCCCO[C@H](C)C(=O)N 34a_100000731257_100000740836 [0,2,0,0,0,0|2,0,0]=4 12880 B10R0.75 COCCCO[C@H](C)C(=O)N 7a_100000731257_100000740836 [0,2,0,0,0,0|2,0,0]=4 12881 B10R0.75 COCCCSC(C)C(=O)C 62a_100000709357_100009814033 [0,2,0,0,0,0|1,0,0]=3 12882 B10R0.75 COCCCSC(C)C(=O)C 62a_100009814033_100000709357 [0,2,0,0,0,0|1,0,0]=3 12883 B10R0.75 COCCCSC(C)C(=O)N 62a_100000702099_100000709357 [0,2,0,0,0,0|2,0,0]=4 12884 B10R0.75 COCCCSC(C)C(=O)N 62a_100000709357_100000702099 [0,2,0,0,0,0|2,0,0]=4 12885 B10R0.75 COCCCSC(F)C(=O)N 62a_100000709357_100009813875 [0,2,0,0,0,0|2,0,0]=4 12886 B10R0.75 COCCCSC(F)C(=O)N 62a_100009813875_100000709357 [0,2,0,0,0,0|2,0,0]=4 12887 B10R0.75 COCCCSC(F)C(=O)[O-] 62a_100000709357_100020610796 [0,2,0,0,0,0|2,0,0]=4 12888 B10R0.75 COCCCSC(F)C(=O)[O-] 62a_100020610796_100000709357 [0,2,0,0,0,0|2,0,0]=4 12889 B10R0.75 COCCNCC(=O)C(C)C 2230a_100000209980_100000753385 [0,2,0,0,0,0|2,0,0]=4 12890 B10R0.75 COCCNCC(=O)N(C)C 2230a_100000209980_100000185267 [0,2,0,0,0,0|2,0,0]=4 12891 B10R0.75 COCCNCC(=O)N(C)C 2230a_100015183351_100011201679 [0,2,0,0,0,0|2,0,0]=4 12892 B10R0.75 COCCNCC(C)C(=O)O 269956a_100000749485_100000233755 [0,2,0,0,0,0|2,0,0]=4 12893 B10R0.75 COCCNCC(F)C(=O)O 269956a_100000084737_100000233755 [0,2,0,0,0,0|2,0,0]=4 12894 B10R0.75 COCCOCC(=O)C(=O)C 34a_100000210237_100011261029 [0,2,0,0,0,0|1,0,1]=4 12895 B10R0.75 COCCOCC(=O)C(C)C 1458a_100000211095_100000210206 [0,2,0,0,0,0|2,0,0]=4 12896 B10R0.75 COCCOCC(=O)C(C)C 34a_100000210237_100000753385 [0,2,0,0,0,0|2,0,0]=4 12897 B10R0.75 COCCOCC(=O)N(C)C 11a_100102631434_100000211095 [0,2,0,0,0,0|2,0,0]=4 12898 B10R0.75 COCCOCC(=O)N(C)C 1626a_100102631434_100000211095 [0,2,0,0,0,0|2,0,0]=4 12899 B10R0.75 COCCOCC(=O)N(C)C 240690a_100102631434_100000211095 [0,2,0,0,0,0|2,0,0]=4 12900 B10R0.75 COCCOCC(=O)N(C)C 34a_100000210237_100000692301 [0,2,0,0,0,0|2,0,0]=4 12901 B10R0.75 COCCOCC(=O)N(C)C 527a_100102631434_100000211095 [0,2,0,0,0,0|2,0,0]=4 12902 B10R0.75 COCCOCC(C)C(=O)C 34a_100000032740_100011201679 [0,2,0,0,0,0|1,0,0]=3 12903 B10R0.75 COCCOCC(C)C(=O)C 7a_100000032740_100000233755 [0,2,0,0,0,0|1,0,0]=3 12904 B10R0.75 COCCOC[C@H](N)C(=O)N 34a_100000729942_100011201679 [0,2,0,0,0,0|2,0,0]=4 12905 B10R0.75 COCCSCC(=O)C(=O)C 62a_100000233755_100011261029 [0,2,0,0,0,0|1,0,1]=4 12906 B10R0.75 COCCSCC(=O)C(=O)C 62a_100011261029_100000233755 [0,2,0,0,0,0|1,0,1]=4 12907 B10R0.75 COCCSCC(=O)C(C)C 62a_100000233755_100000753385 [0,2,0,0,0,0|2,0,0]=4 12908 B10R0.75 COCCSCC(=O)C(C)C 62a_100000753385_100000233755 [0,2,0,0,0,0|2,0,0]=4 12909 B10R0.75 COCCSCC(=O)N(C)C 62a_100000233755_100000692301 [0,2,0,0,0,0|2,0,0]=4 12910 B10R0.75 COCCSCC(=O)N(C)C 62a_100000692301_100000233755 [0,2,0,0,0,0|2,0,0]=4 12911 B10R0.75 COCNCCC(=O)N(C)C 2230a_100000738053_100000766300 [0,2,0,0,0,0|2,0,0]=4 12912 B10R0.75 COCSCCC(=O)N(C)C 62a_100000737620_100000766300 [0,2,0,0,0,0|2,0,0]=4 12913 B10R0.75 COCSCCC(=O)N(C)C 62a_100000766300_100000737620 [0,2,0,0,0,0|2,0,0]=4 12914 B10R0.75 CSCCCCC(=O)N(C)C 62a_100000752486_200000210301 [0,2,0,0,0,0|1,0,0]=3 12915 B10R0.75 CSCCCCC(=O)N(C)C 62a_200000210301_100000752486 [0,2,0,0,0,0|1,0,0]=3 12916 B10R0.75 CSCCCNC(=O)C(C)C 11a_100000749238_100000210198 [0,2,0,0,0,0|2,0,0]=4 12917 B10R0.75 CSCCCNC(=O)C(C)C 1626a_100000749238_100000210198 [0,2,0,0,0,0|2,0,0]=4 12918 B10R0.75 CSCCCNC(=O)C(C)C 240690a_100000749238_100000210198 [0,2,0,0,0,0|2,0,0]=4 12919 B10R0.75 CSCCCNC(=O)C(C)C 527a_100000749238_100000210198 [0,2,0,0,0,0|2,0,0]=4 12920 B10R0.75 CSCCCNC(=O)C(C)F 11a_100000749238_100000062450 [0,2,0,0,0,0|2,0,0]=4 12921 B10R0.75 CSCCCNC(=O)C(C)F 1626a_100000749238_100000062450 [0,2,0,0,0,0|2,0,0]=4 12922 B10R0.75 CSCCCNC(=O)C(C)F 240690a_100000749238_100000062450 [0,2,0,0,0,0|2,0,0]=4 12923 B10R0.75 CSCCCNC(=O)C(C)F 527a_100000749238_100000062450 [0,2,0,0,0,0|2,0,0]=4 12924 B10R0.75 CSCCCNC(=O)C(F)F 11a_100000749238_100000210393 [0,2,0,0,0,0|2,0,0]=4 12925 B10R0.75 CSCCCNC(=O)C(F)F 1626a_100000749238_100000210393 [0,2,0,0,0,0|2,0,0]=4 12926 B10R0.75 CSCCCNC(=O)C(F)F 240690a_100000749238_100000210393 [0,2,0,0,0,0|2,0,0]=4 12927 B10R0.75 CSCCCNC(=O)C(F)F 527a_100000749238_100000210393 [0,2,0,0,0,0|2,0,0]=4 12928 B10R0.75 CSCCCNC(=O)C(O)O 240690a_100000749238_100000233687 [0,2,0,0,0,0|2,0,0]=4 12929 B10R0.75 CSCCCNC(=O)N(C)C 2708a_100000749238_100102631434 [0,2,0,0,0,0|2,0,0]=4 12930 B10R0.75 CSCCCNC(=O)[C@@H](C)O 240690a_100000749238_100000717761 [0,2,0,0,0,0|2,0,0]=4 12931 B10R0.75 CSCCCNC(=O)[C@H](C)O 1626a_100000749238_217856618621 [0,2,0,0,0,0|2,0,0]=4 12932 B10R0.75 CSCCCNC(=O)[C@H](C)O 240690a_100000749238_217856618621 [0,2,0,0,0,0|2,0,0]=4 12933 B10R0.75 CSCCCNC(C)C(=O)C 2230a_100000749238_100009814033 [0,2,0,0,0,0|1,0,0]=3 12934 B10R0.75 CSCCCNC(C)C(=O)N 2230a_100000749238_100000702099 [0,2,0,0,0,0|2,0,0]=4 12935 B10R0.75 CSCCCNC(F)C(=O)N 2230a_100000749238_100009813875 [0,2,0,0,0,0|2,0,0]=4 12936 B10R0.75 CSCCCOC(C)C(=O)C 7a_100000690336_100000179758 [0,2,0,0,0,0|1,0,0]=3 12937 B10R0.75 CSCCCOC(C)C(=O)N 34a_100000690336_100000702099 [0,2,0,0,0,0|2,0,0]=4 12938 B10R0.75 CSCCCOC(C)C(=O)N 7a_100000690336_100000702099 [0,2,0,0,0,0|2,0,0]=4 12939 B10R0.75 CSCCCOC(F)C(=O)N 34a_100000690336_100009813875 [0,2,0,0,0,0|2,0,0]=4 12940 B10R0.75 CSCCCOC(F)C(=O)N 7a_100000690336_100009813875 [0,2,0,0,0,0|2,0,0]=4 12941 B10R0.75 CSCCCOC(F)C(=O)[O-] 34a_100000690336_100020610796 [0,2,0,0,0,0|2,0,0]=4 12942 B10R0.75 CSCCNCC(=O)C(C)C 2230a_100020590264_100000753385 [0,2,0,0,0,0|2,0,0]=4 12943 B10R0.75 CSCCNCC(=O)N(C)C 2230a_100015183351_100000751147 [0,2,0,0,0,0|2,0,0]=4 12944 B10R0.75 CSCCNCC(=O)N(C)C 2230a_100020590264_100000185267 [0,2,0,0,0,0|2,0,0]=4 12945 B10R0.75 CSCCNCC(C)C(=O)O 269956a_100000749485_100000212216 [0,2,0,0,0,0|2,0,0]=4 12946 B10R0.75 CSCCNCC(F)C(=O)O 269956a_100000084737_100000212216 [0,2,0,0,0,0|2,0,0]=4 12947 B10R0.75 CSCCOCC(=O)C(=O)C 34a_100000230434_100011261029 [0,2,0,0,0,0|1,0,1]=4 12948 B10R0.75 CSCCOCC(=O)C(C)C 34a_100000230434_100000753385 [0,2,0,0,0,0|2,0,0]=4 12949 B10R0.75 CSCCOCC(=O)C(C)C 7a_100000230434_100000753385 [0,2,0,0,0,0|2,0,0]=4 12950 B10R0.75 CSCCOCC(=O)N(C)C 34a_100000230434_100000692301 [0,2,0,0,0,0|2,0,0]=4 12951 B10R0.75 CSCCOCC(=O)N(C)C 7a_100000230434_100000692301 [0,2,0,0,0,0|2,0,0]=4 12952 B10R0.75 CSCCOCC(C)C(=O)C 34a_100000032740_100000212216 [0,2,0,0,0,0|1,0,0]=3 12953 B10R0.75 CSCCOCC(C)C(=O)C 7a_100000032740_100000212216 [0,2,0,0,0,0|1,0,0]=3 12954 B10R0.75 CSCCOC[C@H](N)C(=O)N 34a_100000729942_100000212216 [0,2,0,0,0,0|2,0,0]=4 12955 B10R0.75 CSCCSCC(=O)C(=O)C 62a_100000212216_100011261029 [0,2,0,0,0,0|1,0,1]=4 12956 B10R0.75 CSCCSCC(=O)C(=O)C 62a_100011261029_100000751147 [0,2,0,0,0,0|1,0,1]=4 12957 B10R0.75 CSCCSCC(=O)C(C)C 62a_100000212216_100000753385 [0,2,0,0,0,0|2,0,0]=4 12958 B10R0.75 CSCCSCC(=O)C(C)C 62a_100000753385_100000751147 [0,2,0,0,0,0|2,0,0]=4 12959 B10R0.75 CSCCSCC(=O)N(C)C 62a_100000212216_100000692301 [0,2,0,0,0,0|2,0,0]=4 12960 B10R0.75 CSCCSCC(=O)N(C)C 62a_100000692301_100000751147 [0,2,0,0,0,0|2,0,0]=4 12961 B10R0.75 CSCNCCC(=O)N(C)C 2230a_100000738053_100011218213 [0,2,0,0,0,0|2,0,0]=4 12962 B10R0.75 CSCOCCC(=O)N(C)C 34a_200000747469_100011218213 [0,2,0,0,0,0|2,0,0]=4 12963 B10R0.75 CSCSCCC(=O)N(C)C 62a_100000737620_100011218213 [0,2,0,0,0,0|2,0,0]=4 12964 B10R0.75 CSCSCCC(=O)N(C)C 62a_100011218213_100000737620 [0,2,0,0,0,0|2,0,0]=4 12965 B10R0.75 C[C@@H](NCCCCF)C(=O)N 2230a_100000119354_100000729493 [0,2,0,0,0,0|2,0,0]=4 12966 B10R0.75 C[C@@H](NCCCCF)C(=O)N 34a_100000119354_100000729493 [0,2,0,0,0,0|2,0,0]=4 12967 B10R0.75 C[C@@H](NCCCCO)C(=O)N 2230a_100000119354_100000210776 [0,2,0,0,0,0|2,0,0]=4 12968 B10R0.75 C[C@@H](NCCCCO)C(=O)N 34a_100000119354_100011216708 [0,2,0,0,0,0|2,0,0]=4 12969 B10R0.75 C[C@@H](O)C(=O)CCCCC#N 1458a_100000717761_100000211819 [0,2,0,0,0,0|1,0,1]=4 12970 B10R0.75 C[C@@H](O)C(=O)CCCCCF 1458a_100000717761_100000729378 [0,2,0,0,0,0|1,0,0]=3 12971 B10R0.75 C[C@@H](O)C(=O)CCCCCO 1458a_100000717761_100000746330 [0,2,0,0,0,0|1,0,0]=3 12972 B10R0.75 C[C@@H](O)C(=O)CCOCCO 1458a_100000717761_100011215305 [0,2,0,0,0,0|2,0,0]=4 12973 B10R0.75 C[C@@H](O)C(=O)NCCCCO 240690a_100000750430_100000717761 [0,2,0,0,0,0|2,0,0]=4 12974 B10R0.75 C[C@@H](OCCCCF)C(=O)N 34a_100000731257_100000729493 [0,2,0,0,0,0|2,0,0]=4 12975 B10R0.75 C[C@@H](OCCCCF)C(=O)N 7a_100000731257_100000729493 [0,2,0,0,0,0|2,0,0]=4 12976 B10R0.75 C[C@@H](OCCCCO)C(=O)N 34a_100000731257_100011216708 [0,2,0,0,0,0|2,0,0]=4 12977 B10R0.75 C[C@@H](OCCCCO)C(=O)N 7a_100000731257_100000210776 [0,2,0,0,0,0|2,0,0]=4 12978 B10R0.75 C[C@H](NCCCCF)C(=O)O 269956a_100000743915_100000729493 [0,2,0,0,0,0|2,0,0]=4 12979 B10R0.75 C[C@H](NCCCCO)C(=O)O 269956a_100000743915_100000210776 [0,2,0,0,0,0|2,0,0]=4 12980 B10R0.75 C[C@H](O)C(=O)CCCCC#N 1458a_217856618621_100000211819 [0,2,0,0,0,0|1,0,1]=4 12981 B10R0.75 C[C@H](O)C(=O)CCCCCF 1458a_217856618621_100000729378 [0,2,0,0,0,0|1,0,0]=3 12982 B10R0.75 C[C@H](O)C(=O)CCCCCO 1458a_217856618621_100000746330 [0,2,0,0,0,0|1,0,0]=3 12983 B10R0.75 C[C@H](O)C(=O)CCOCCO 1458a_217856618621_100011215305 [0,2,0,0,0,0|2,0,0]=4 12984 B10R0.75 C[C@H](O)C(=O)NCCCCO 240690a_100000750430_217856618621 [0,2,0,0,0,0|2,0,0]=4 12985 B10R0.75 C[C@H](OCCCCF)C(=O)[O-] 7a_217856618621_100000729493 [0,2,0,0,0,0|2,0,0]=4 12986 B10R0.75 C[C@H](OCCCCO)C(=O)[O-] 7a_217856618621_100000210776 [0,2,0,0,0,0|2,0,0]=4 12987 B10R0.75 N#CCCCCC(=O)C(O)O 1458a_100000233687_100000211819 [0,2,0,0,0,0|1,0,1]=4 12988 B10R0.75 NC(=O)C(F)NCCCCO 2230a_100000750430_100009813875 [0,2,0,0,0,0|2,0,0]=4 12989 B10R0.75 NC(=O)C(F)NCCCCO 34a_100000750430_100009813875 [0,2,0,0,0,0|2,0,0]=4 12990 B10R0.75 NC(=O)C(F)OCCCCBr 34a_100011216708_100009813875 [0,2,0,0,0,0|2,0,0]=4 12991 B10R0.75 NC(=O)C(F)OCCCCCl 34a_100000210776_100009813875 [0,2,0,0,0,0|2,0,0]=4 12992 B10R0.75 NC(=O)C(F)OCCCCCl 7a_100000210776_100009813875 [0,2,0,0,0,0|2,0,0]=4 12993 B10R0.75 NC(=O)C(F)OCCCCF 34a_100011995726_100009813875 [0,2,0,0,0,0|2,0,0]=4 12994 B10R0.75 NC(=O)C(F)OCCCCF 7a_100011995726_100009813875 [0,2,0,0,0,0|2,0,0]=4 12995 B10R0.75 NC(=O)C(F)OCCCCI 34a_200012148704_100009813875 [0,2,0,0,0,0|2,0,0]=4 12996 B10R0.75 NC(=O)C(F)SCCCCF 62a_100000729493_100009813875 [0,2,0,0,0,0|2,0,0]=4 12997 B10R0.75 NC(=O)C(F)SCCCCF 62a_100009813875_100000729493 [0,2,0,0,0,0|2,0,0]=4 12998 B10R0.75 NC(=O)C(F)SCCCCO 62a_100000210776_100009813875 [0,2,0,0,0,0|2,0,0]=4 12999 B10R0.75 NC(=O)C(F)SCCCCO 62a_100009813875_100000210776 [0,2,0,0,0,0|2,0,0]=4 13000 B10R0.75 NC(=O)[C@@H](N)COCCCF 34a_100000729942_100011934791 [0,2,0,0,0,0|2,0,0]=4 13001 B10R0.75 NC(=O)[C@@H](N)COCCCO 34a_100000729942_100000230001 [0,2,0,0,0,0|2,0,0]=4 13002 B10R0.75 NCCCCOC(F)C(=O)N 34a_100000750430_100009813875 [0,2,0,0,0,0|2,0,0]=4 13003 B10R0.75 NCCCCOC(F)C(=O)[O-] 34a_100000750430_100020610796 [0,2,0,0,0,0|2,0,0]=4 13004 B10R0.75 O=C(CCCCCF)C(O)O 1458a_100000233687_100000729378 [0,2,0,0,0,0|1,0,0]=3 13005 B10R0.75 O=C(CCCCCO)C(O)O 1458a_100000233687_100000746330 [0,2,0,0,0,0|1,0,0]=3 13006 B10R0.75 O=C(CCOCCO)C(O)O 1458a_100000233687_100011215305 [0,2,0,0,0,0|2,0,0]=4 13007 B10R0.75 O=C(NCCCCO)C(F)F 240690a_100000750430_100000210393 [0,2,0,0,0,0|2,0,0]=4 13008 B10R0.75 O=C(NCCCCO)C(F)F 527a_100000750430_100000210393 [0,2,0,0,0,0|2,0,0]=4 13009 B10R0.75 O=C(NCCCCO)C(O)O 240690a_100000750430_100000233687 [0,2,0,0,0,0|2,0,0]=4 13010 B10R0.75 O=C(O)C(F)CNCCCF 269956a_100000084737_100011934791 [0,2,0,0,0,0|2,0,0]=4 13011 B10R0.75 O=C(O)C(F)CNCCCO 269956a_100000084737_100011215043 [0,2,0,0,0,0|2,0,0]=4 13012 B10R0.75 O=C([O-])C(F)NCCCCO 34a_100000750430_100020610796 [0,2,0,0,0,0|2,0,0]=4 13013 B10R0.75 O=C([O-])C(F)OCCCCBr 34a_100011216708_100020610796 [0,2,0,0,0,0|2,0,0]=4 13014 B10R0.75 O=C([O-])C(F)OCCCCCl 34a_100000210776_100020610796 [0,2,0,0,0,0|2,0,0]=4 13015 B10R0.75 O=C([O-])C(F)OCCCCF 34a_100011995726_100020610796 [0,2,0,0,0,0|2,0,0]=4 13016 B10R0.75 O=C([O-])C(F)OCCCCI 34a_200012148704_100020610796 [0,2,0,0,0,0|2,0,0]=4 13017 B10R0.75 O=C([O-])C(F)SCCCCF 62a_100000729493_100020610796 [0,2,0,0,0,0|2,0,0]=4 13018 B10R0.75 O=C([O-])C(F)SCCCCF 62a_100020610796_100000729493 [0,2,0,0,0,0|2,0,0]=4 13019 B10R0.75 O=C([O-])C(F)SCCCCO 62a_100000210776_100020610796 [0,2,0,0,0,0|2,0,0]=4 13020 B10R0.75 O=C([O-])C(F)SCCCCO 62a_100020610796_100000210776 [0,2,0,0,0,0|2,0,0]=4 13021 B10R0.78 C=C(C)CCC(=O)CCCC 1458a_100000210183_100000730704 [0,2,0,0,0,0|1,0,0]=3 13022 B10R0.78 C=C(C)CCC(=O)CCCC 1458a_200000688413_100000210211 [0,2,0,0,0,0|1,0,0]=3 13023 B10R0.78 C=C(C)CCC(=O)CCCF 1458a_200000688413_100011934791 [0,2,0,0,0,0|1,0,1]=4 13024 B10R0.78 C=C(C)CCC(=O)CCCO 1458a_200000688413_100011215043 [0,2,0,0,0,0|1,0,1]=4 13025 B10R0.78 C=C(C)CCC(=O)CCOC 1458a_100000749529_100000730704 [0,2,0,0,0,0|1,0,1]=4 13026 B10R0.78 C=C(C)CCC(=O)CCOC 1458a_200000688413_100000233755 [0,2,0,0,0,0|1,0,1]=4 13027 B10R0.78 C=C(C)CCC(=O)CCSC 1458a_100000174002_100000730704 [0,2,0,0,0,0|1,0,1]=4 13028 B10R0.78 C=C(C)CCC(=O)CCSC 1458a_200000688413_100000751147 [0,2,0,0,0,0|1,0,1]=4 13029 B10R0.78 C=C(C)CCC(=O)COCC 1458a_100000211967_100000730704 [0,2,0,0,0,0|1,0,1]=4 13030 B10R0.78 C=C(C)CCC(=O)CSCC 1458a_100000230394_100000730704 [0,2,0,0,0,0|1,0,1]=4 13031 B10R0.78 C=C(C)CCC(=O)NCCC 11a_100020643023_200000688413 [0,2,0,0,0,0|1,0,1]=4 13032 B10R0.78 C=C(C)CCC(=O)NCCC 1626a_100020643023_200000688413 [0,2,0,0,0,0|1,0,1]=4 13033 B10R0.78 C=C(C)CCC(=O)NCCC 240690a_100020643023_200000688413 [0,2,0,0,0,0|1,0,1]=4 13034 B10R0.78 C=C(C)CCC(=O)NCCC 527a_100020643023_200000688413 [0,2,0,0,0,0|1,0,1]=4 13035 B10R0.78 C=C(C)CCC(C)NCCC 270004a_100020643023_100011215600 [0,2,0,0,0,0|1,0,0]=3 13036 B10R0.78 C=C(C)CCC(C)NCCO 270004a_100000210304_100011215600 [0,2,0,0,0,0|2,0,0]=4 13037 B10R0.78 C=C(C)CCN(C)CCCC 2230a_100000207549_100000730704 [0,2,0,0,0,0|1,0,0]=3 13038 B10R0.78 C=C(C)CCN(C)CCCC 269982a_100000207549_100000730704 [0,2,0,0,0,0|1,0,0]=3 13039 B10R0.78 C=C(C)CCN(C)CCCO 2230a_100000213112_100000730704 [0,2,0,0,0,0|2,0,0]=4 13040 B10R0.78 C=C(C)CCN(C)CCCO 269982a_100000213112_100000730704 [0,2,0,0,0,0|2,0,0]=4 13041 B10R0.78 C=C(C)CCN(C)CCOC 2230a_100000743101_100000730704 [0,2,0,0,0,0|2,0,0]=4 13042 B10R0.78 C=C(C)CCN(C)CCOC 269982a_100000743101_100000730704 [0,2,0,0,0,0|2,0,0]=4 13043 B10R0.78 C=C(C)CCN(C)CCSC 2230a_100000686725_100000730704 [0,2,0,0,0,0|2,0,0]=4 13044 B10R0.78 C=C(C)CCN(C)CCSC 269982a_100000686725_100000730704 [0,2,0,0,0,0|2,0,0]=4 13045 B10R0.78 C=C(C)CNC(=O)CCCC 11a_100000765925_100000210183 [0,2,0,0,0,0|1,0,1]=4 13046 B10R0.78 C=C(C)CNC(=O)CCCC 1626a_100000765925_100000210183 [0,2,0,0,0,0|1,0,1]=4 13047 B10R0.78 C=C(C)CNC(=O)CCCC 240690a_100000765925_100000210183 [0,2,0,0,0,0|1,0,1]=4 13048 B10R0.78 C=C(C)CNC(=O)CCCC 527a_100000765925_100000210183 [0,2,0,0,0,0|1,0,1]=4 13049 B10R0.78 C=C(C)CNC(C)CCCC 2230a_100000126638_100000748629 [0,2,0,0,0,0|1,0,0]=3 13050 B10R0.78 C=C(C)COC(C)CCCC 34a_100000210245_200011215066 [0,2,0,0,0,0|1,0,0]=3 13051 B10R0.78 C=C(C)COC(C)CCCC 34a_100000687866_100000748629 [0,2,0,0,0,0|1,0,0]=3 13052 B10R0.78 C=C(C)COC(C)CCCC 7a_100000687866_100000748629 [0,2,0,0,0,0|1,0,0]=3 13053 B10R0.78 C=C(C)COC(C)CCCCl 34a_200000718107_100000748629 [0,2,0,0,0,0|2,0,0]=4 13054 B10R0.78 C=C(C)COC(C)CCCCl 7a_200000718107_100000748629 [0,2,0,0,0,0|2,0,0]=4 13055 B10R0.78 C=C(C)COC(C)COCC 34a_100000718985_100000748629 [0,2,0,0,0,0|2,0,0]=4 13056 B10R0.78 C=C(C)COC(C)COCC 7a_100000718985_100000748629 [0,2,0,0,0,0|2,0,0]=4 13057 B10R0.78 C=C(C)CSC(C)CCCC 62a_100000748629_200011215066 [0,2,0,0,0,0|1,0,0]=3 13058 B10R0.78 C=C(C)CSC(C)CCCC 62a_200011215066_100000211660 [0,2,0,0,0,0|1,0,0]=3 13059 B10R0.78 C=C(F)CNC(C)CCCC 2230a_100000126638_100009893438 [0,2,0,0,0,0|1,0,1]=4 13060 B10R0.78 C=C(F)COC(C)CCCC 34a_100000687866_100009893438 [0,2,0,0,0,0|1,0,1]=4 13061 B10R0.78 C=C(F)COC(C)CCCC 34a_200010262243_200011215066 [0,2,0,0,0,0|1,0,1]=4 13062 B10R0.78 C=C(F)COC(C)CCCC 7a_100000687866_100000042424 [0,2,0,0,0,0|1,0,1]=4 13063 B10R0.78 C=C(F)CSC(C)CCCC 62a_100000042424_200011215066 [0,2,0,0,0,0|1,0,1]=4 13064 B10R0.78 C=C(F)CSC(C)CCCC 62a_200011215066_100000042424 [0,2,0,0,0,0|1,0,1]=4 13065 B10R0.78 C=CCCN(C)CCC(=O)C 269982a_100020639649_100000053229 [0,2,0,0,0,0|0,0,2]=4 13066 B10R0.78 CC(=O)CCN(C)CCCO 269982a_100000213112_100000053229 [0,2,0,0,0,0|1,0,0]=3 13067 B10R0.78 CC(=O)NCC(=O)CCCF 1458a_100000194580_100011934791 [0,2,0,0,0,0|1,0,1]=4 13068 B10R0.78 CC(=O)NCC(=O)CCCO 1458a_100000194580_100011215043 [0,2,0,0,0,0|1,0,1]=4 13069 B10R0.78 CC(=O)NC[C@H](C)CCCO 240690a_100160569302_100015343762 [0,2,0,0,0,0|1,0,0]=3 13070 B10R0.78 CC(=O)NC[C@H](C)CCCO 527a_100160569302_100103153847 [0,2,0,0,0,0|1,0,0]=3 13071 B10R0.78 CC(=O)OCC(=O)CCCF 1458a_100000183556_100011934791 [0,2,0,0,0,0|1,0,1]=4 13072 B10R0.78 CC(=O)OCC(=O)CCCO 1458a_100000183556_100011215043 [0,2,0,0,0,0|1,0,1]=4 13073 B10R0.78 CC(=O)OCC(C)NCCO 270004a_100000210304_100000000629 [0,2,0,0,0,0|2,0,0]=4 13074 B10R0.78 CC(=O)OCC(O)CSCF 62a_100015361967_200000139349 [0,2,0,0,0,0|2,0,0]=4 13075 B10R0.78 CC(=O)OCC(O)CSCF 62a_200000139349_100015361967 [0,2,0,0,0,0|2,0,0]=4 13076 B10R0.78 CC(=O)OCN(C)CCCO 269982a_100000213112_100000076356 [0,2,0,0,0,0|2,0,0]=4 13077 B10R0.78 CC(=O)SCC(=O)CCCF 1458a_100000049016_100011934791 [0,2,0,0,0,0|1,0,1]=4 13078 B10R0.78 CC(=O)SCC(=O)CCCO 1458a_100000049016_100011215043 [0,2,0,0,0,0|1,0,1]=4 13079 B10R0.78 CC(=O)SCC(C)CSCF 62a_100015361967_200000116872 [0,2,0,0,0,0|2,0,0]=4 13080 B10R0.78 CC(=O)SCC(C)CSCF 62a_200000116872_100015361967 [0,2,0,0,0,0|2,0,0]=4 13081 B10R0.78 CC(CCCCl)OCC(=O)N 34a_200000718107_100000187820 [0,2,0,0,0,0|2,0,0]=4 13082 B10R0.78 CC(CCCCl)OCC(=O)N 7a_200000718107_100000187820 [0,2,0,0,0,0|2,0,0]=4 13083 B10R0.78 CC(CCCCl)OCC(=O)[O-] 34a_200000718107_100020667443 [0,2,0,0,0,0|2,0,0]=4 13084 B10R0.78 CCCCC(=NNC(=O)C)C 4a_100000189765_100000210087 [0,2,0,0,0,0|1,0,1]=4 13085 B10R0.78 CCCCC(=O)CC=C(C)C 1458a_100000210183_100000761012 [0,2,0,0,0,0|1,0,1]=4 13086 B10R0.78 CCCCC(=O)CC=C(C)C 1458a_100011220947_100000210211 [0,2,0,0,0,0|1,0,1]=4 13087 B10R0.78 CCCCC(=O)CCC(=O)N 1458a_100011215257_100000210211 [0,2,0,0,0,0|1,0,0]=3 13088 B10R0.78 CCCCC(=O)CCC(C)C 1458a_100000181311_100000210211 [0,2,0,0,0,0|1,0,1]=4 13089 B10R0.78 CCCCC(=O)CCC(C)C 1458a_100000210183_100000210312 [0,2,0,0,0,0|1,0,1]=4 13090 B10R0.78 CCCCC(=O)CCC(C)O 1458a_100000210183_100012276601 [0,2,0,0,0,0|0,0,2]=4 13091 B10R0.78 CCCCC(=O)CC[N+](=O)[O-] 1458a_200000064761_100000210211 [0,2,0,0,0,0|2,0,0]=4 13092 B10R0.78 CCCCC(=O)CC[S+](C)C 1458a_100009452791_100000210211 [0,2,0,0,0,0|2,0,0]=4 13093 B10R0.78 CCCCC(=O)CNC(=O)C 1458a_100000194580_100000210211 [0,2,0,0,0,0|0,0,1]=3 13094 B10R0.78 CCCCC(=O)CNC(=O)N 1458a_100000184981_100000210211 [0,2,0,0,0,0|1,0,1]=4 13095 B10R0.78 CCCCC(=O)COC(=O)C 1458a_100000183556_100000210211 [0,2,0,0,0,0|0,0,1]=3 13096 B10R0.78 CCCCC(=O)CSC(=O)C 1458a_100000049016_100000210211 [0,2,0,0,0,0|0,0,1]=3 13097 B10R0.78 CCCCC(=O)NCC(=O)N 11a_100000711301_100000210183 [0,2,0,0,0,0|1,0,1]=4 13098 B10R0.78 CCCCC(=O)NCC(=O)N 240690a_100000711301_100000210183 [0,2,0,0,0,0|1,0,1]=4 13099 B10R0.78 CCCCC(=O)NCC(=O)N 527a_100000711301_100000210183 [0,2,0,0,0,0|1,0,1]=4 13100 B10R0.78 CCCCC(=O)NNC(=O)C 22a_100000189765_100000210183 [0,2,0,0,0,0|1,0,1]=4 13101 B10R0.78 CCCCC(=O)NNC(=O)C 22a_100000189769_100000070787 [0,2,0,0,0,0|1,0,1]=4 13102 B10R0.78 CCCCC(C)CCC(=O)C 1458a_100000033779_200000210301 [0,2,0,0,0,0|0,0,0]=2 13103 B10R0.78 CCCCC(C)CCC(=O)[13CH3] 1458a_100000033779_200025704644 [0,2,0,0,0,0|0,0,0]=2 13104 B10R0.78 CCCCC(C)COC(C)C 34a_100011995851_100000210206 [0,2,0,0,0,0|1,0,1]=4 13105 B10R0.78 CCCCC(C)COC(C)C 7a_100011995851_100000210206 [0,2,0,0,0,0|1,0,1]=4 13106 B10R0.78 CCCCC(C)NCC(=O)N 2230a_100000126638_100000747473 [0,2,0,0,0,0|1,0,0]=3 13107 B10R0.78 CCCCC(C)NCC(=O)N 2230a_100000711301_200011215066 [0,2,0,0,0,0|1,0,0]=3 13108 B10R0.78 CCCCC(C)NCC(=O)O 269956a_100016091260_200011215066 [0,2,0,0,0,0|1,0,0]=3 13109 B10R0.78 CCCCC(C)NCC(C)C 2230a_100000126638_100000210760 [0,2,0,0,0,0|1,0,1]=4 13110 B10R0.78 CCCCC(C)NCC(C)C 2230a_100000210953_200011215066 [0,2,0,0,0,0|1,0,1]=4 13111 B10R0.78 CCCCC(C)NCC(C)C 270004a_100000126638_100000210432 [0,2,0,0,0,0|1,0,1]=4 13112 B10R0.78 CCCCC(C)NCC(C)C 270004a_100000210953_100000210087 [0,2,0,0,0,0|1,0,1]=4 13113 B10R0.78 CCCCC(C)NCC(C)C 34a_100000210953_200011215066 [0,2,0,0,0,0|1,0,1]=4 13114 B10R0.78 CCCCC(C)NCC(C)O 2230a_100000126638_100011218427 [0,2,0,0,0,0|0,0,2]=4 13115 B10R0.78 CCCCC(C)NCC(C)O 2230a_100000210904_200011215066 [0,2,0,0,0,0|0,0,2]=4 13116 B10R0.78 CCCCC(C)NCC(C)O 270004a_100000210904_100000210087 [0,2,0,0,0,0|0,0,2]=4 13117 B10R0.78 CCCCC(C)NCC(C)O 34a_100000210904_200011215066 [0,2,0,0,0,0|0,0,2]=4 13118 B10R0.78 CCCCC(C)NC[C@@H](C)O 2230a_100000126638_100009817552 [0,2,0,0,0,0|0,0,2]=4 13119 B10R0.78 CCCCC(C)OCC(=O)C 34a_100000211253_200011215066 [0,2,0,0,0,0|0,0,0]=2 13120 B10R0.78 CCCCC(C)OCC(=O)N 34a_100000687866_100000187820 [0,2,0,0,0,0|1,0,0]=3 13121 B10R0.78 CCCCC(C)OCC(=O)N 7a_100000687866_100000187820 [0,2,0,0,0,0|1,0,0]=3 13122 B10R0.78 CCCCC(C)OCC(=O)[O-] 34a_100000687866_100020667443 [0,2,0,0,0,0|1,0,0]=3 13123 B10R0.78 CCCCC(C)OCC(C)Br 34a_100012180447_200011215066 [0,2,0,0,0,0|1,0,1]=4 13124 B10R0.78 CCCCC(C)OCC(C)C 34a_100000210257_200011215066 [0,2,0,0,0,0|1,0,1]=4 13125 B10R0.78 CCCCC(C)OCC(C)C 34a_100000687866_100000210624 [0,2,0,0,0,0|1,0,1]=4 13126 B10R0.78 CCCCC(C)OCC(C)C 7a_100000687866_100000210760 [0,2,0,0,0,0|1,0,1]=4 13127 B10R0.78 CCCCC(C)OCC(C)F 34a_100015925927_200011215066 [0,2,0,0,0,0|1,0,1]=4 13128 B10R0.78 CCCCC(C)OCC(C)O 34a_100000687866_100011218427 [0,2,0,0,0,0|0,0,2]=4 13129 B10R0.78 CCCCC(C)OCC(C)O 7a_100000687866_100011218427 [0,2,0,0,0,0|0,0,2]=4 13130 B10R0.78 CCCCC(C)OC[C@@H](C)Cl 34a_100016084084_200011215066 [0,2,0,0,0,0|1,0,1]=4 13131 B10R0.78 CCCCC(C)OC[C@@H](C)N 34a_100000737577_200011215066 [0,2,0,0,0,0|1,0,1]=4 13132 B10R0.78 CCCCC(C)OC[C@@H](C)O 34a_100000687866_100009817552 [0,2,0,0,0,0|0,0,2]=4 13133 B10R0.78 CCCCC(C)OC[C@@H](C)O 7a_100000687866_100009817552 [0,2,0,0,0,0|0,0,2]=4 13134 B10R0.78 CCCCC(C)OC[N+](=O)[O-] 34a_100000687866_100000761209 [0,2,0,0,0,0|2,0,0]=4 13135 B10R0.78 CCCCC(C)SCC(=O)N 62a_100000747473_200011215066 [0,2,0,0,0,0|1,0,0]=3 13136 B10R0.78 CCCCC(C)SCC(=O)N 62a_200011215066_100000747473 [0,2,0,0,0,0|1,0,0]=3 13137 B10R0.78 CCCCC(C)SCC(=O)[O-] 62a_100020667443_200011215066 [0,2,0,0,0,0|1,0,0]=3 13138 B10R0.78 CCCCC(C)SCC(=O)[O-] 62a_200011215066_100020667443 [0,2,0,0,0,0|1,0,0]=3 13139 B10R0.78 CCCCC(C)SCC(C)C 62a_100000210624_200011215066 [0,2,0,0,0,0|1,0,1]=4 13140 B10R0.78 CCCCC(C)SCC(C)C 62a_200011215066_100000210760 [0,2,0,0,0,0|1,0,1]=4 13141 B10R0.78 CCCCC(C)SCC(C)O 62a_100011218427_200011215066 [0,2,0,0,0,0|0,0,2]=4 13142 B10R0.78 CCCCC(C)SCC(C)O 62a_200011215066_100011218427 [0,2,0,0,0,0|0,0,2]=4 13143 B10R0.78 CCCCC(C)SC[C@@H](C)O 62a_100009817552_200011215066 [0,2,0,0,0,0|0,0,2]=4 13144 B10R0.78 CCCCC(C)SC[C@@H](C)O 62a_200011215066_100009817552 [0,2,0,0,0,0|0,0,2]=4 13145 B10R0.78 CCCCC(C)SC[N+](=O)[O-] 62a_200011215066_100000761209 [0,2,0,0,0,0|2,0,0]=4 13146 B10R0.78 CCCCN(C)CC=C(C)C 2230a_100000207549_100000761012 [0,2,0,0,0,0|1,0,1]=4 13147 B10R0.78 CCCCN(C)CC=C(C)C 269982a_100000207549_100000761012 [0,2,0,0,0,0|1,0,1]=4 13148 B10R0.78 CCCCN(C)CCC(=O)C 269982a_100000207549_100000053229 [0,2,0,0,0,0|0,0,0]=2 13149 B10R0.78 CCCCN(C)CCC(=O)N 2230a_100000207549_100000744528 [0,2,0,0,0,0|1,0,0]=3 13150 B10R0.78 CCCCN(C)CCC(=O)N 2230a_100000730477_100000210211 [0,2,0,0,0,0|1,0,0]=3 13151 B10R0.78 CCCCN(C)CCC(=O)N 269982a_100000207549_100000744528 [0,2,0,0,0,0|1,0,0]=3 13152 B10R0.78 CCCCN(C)CCC(C)C 2230a_100000207549_100000210312 [0,2,0,0,0,0|1,0,1]=4 13153 B10R0.78 CCCCN(C)CCC(C)C 2230a_100000742789_100000210211 [0,2,0,0,0,0|1,0,1]=4 13154 B10R0.78 CCCCN(C)CCC(C)C 269982a_100000207549_100000210312 [0,2,0,0,0,0|1,0,1]=4 13155 B10R0.78 CCCCN(C)CCC(C)C 269982a_100000742789_100000210211 [0,2,0,0,0,0|1,0,1]=4 13156 B10R0.78 CCCCN(C)CCC(C)O 2230a_100000207549_100012276601 [0,2,0,0,0,0|0,0,2]=4 13157 B10R0.78 CCCCN(C)CCC(C)O 269982a_100000207549_100012276601 [0,2,0,0,0,0|0,0,2]=4 13158 B10R0.78 CCCCN(C)CCN(C)C 269982a_100000207549_100000755713 [0,2,0,0,0,0|2,0,0]=4 13159 B10R0.78 CCCCN(C)CCN(C)C 269982a_100000225618_100000210211 [0,2,0,0,0,0|2,0,0]=4 13160 B10R0.78 CCCCN(C)COC(=O)C 269982a_100000207549_100000076356 [0,2,0,0,0,0|1,0,0]=3 13161 B10R0.78 CCCC[C@H](N)COC(C)C 34a_100011934283_100000210206 [0,2,0,0,0,0|1,0,1]=4 13162 B10R0.78 CCCNC(=O)CCC(=O)C 1458a_100000199543_200000210301 [0,2,0,0,0,0|0,0,1]=3 13163 B10R0.78 CCCNC(=O)CCC(=O)N 240690a_100020643023_100011215257 [0,2,0,0,0,0|1,0,1]=4 13164 B10R0.78 CCCNC(=O)CCC(=O)N 527a_100020643023_100011215257 [0,2,0,0,0,0|1,0,1]=4 13165 B10R0.78 CCCNC(=O)CCC(=O)[13CH3] 1458a_100000199543_200025704644 [0,2,0,0,0,0|0,0,1]=3 13166 B10R0.78 CCCNC(=O)CNC(=O)C 11a_100000174927_100015343762 [0,2,0,0,0,0|1,0,1]=4 13167 B10R0.78 CCCNC(=O)CNC(=O)C 11a_100020643023_100000194580 [0,2,0,0,0,0|1,0,1]=4 13168 B10R0.78 CCCNC(=O)CNC(=O)C 1626a_100000174927_100015343762 [0,2,0,0,0,0|1,0,1]=4 13169 B10R0.78 CCCNC(=O)CNC(=O)C 1626a_100020643023_100000194580 [0,2,0,0,0,0|1,0,1]=4 13170 B10R0.78 CCCNC(=O)CNC(=O)C 240690a_100000174927_100015343762 [0,2,0,0,0,0|1,0,1]=4 13171 B10R0.78 CCCNC(=O)CNC(=O)C 240690a_100020643023_100000194580 [0,2,0,0,0,0|1,0,1]=4 13172 B10R0.78 CCCNC(=O)CNC(=O)C 527a_100000174927_100103153847 [0,2,0,0,0,0|1,0,1]=4 13173 B10R0.78 CCCNC(=O)CNC(=O)C 527a_100020643023_100000194580 [0,2,0,0,0,0|1,0,1]=4 13174 B10R0.78 CCCNC(=O)COC(=O)C 1626a_100020643023_100000183556 [0,2,0,0,0,0|1,0,1]=4 13175 B10R0.78 CCCNC(=O)COC(=O)C 240690a_100020643023_100000183556 [0,2,0,0,0,0|1,0,1]=4 13176 B10R0.78 CCCNC(=O)COC(=O)C 527a_100020643023_100000183556 [0,2,0,0,0,0|1,0,1]=4 13177 B10R0.78 CCCNC(=O)CSC(=O)C 11a_100020643023_100000049016 [0,2,0,0,0,0|1,0,1]=4 13178 B10R0.78 CCCNC(=O)CSC(=O)C 1626a_100020643023_100000049016 [0,2,0,0,0,0|1,0,1]=4 13179 B10R0.78 CCCNC(=O)CSC(=O)C 240690a_100020643023_100000049016 [0,2,0,0,0,0|1,0,1]=4 13180 B10R0.78 CCCNC(C)CCC(C)C 2230a_100138410893_100000210303 [0,2,0,0,0,0|1,0,1]=4 13181 B10R0.78 CCCNC(C)CCC(C)C 270004a_100020643023_100000210476 [0,2,0,0,0,0|1,0,1]=4 13182 B10R0.78 CCCNC(C)COC(=O)C 270004a_100020643023_100000000629 [0,2,0,0,0,0|1,0,0]=3 13183 B10R0.78 CCCOC(=O)OCC(=O)C 1458a_100000070787_200000139673 [0,2,0,0,0,0|1,0,1]=4 13184 B10R0.78 CCCOC(C)CCC(C)C 34a_100000210258_100011261404 [0,2,0,0,0,0|1,0,1]=4 13185 B10R0.78 CCCOC(C)CCC(C)C 34a_100011215350_100000210303 [0,2,0,0,0,0|1,0,1]=4 13186 B10R0.78 CCCOC(C)CCC(C)C 7a_100011215350_100000210303 [0,2,0,0,0,0|1,0,1]=4 13187 B10R0.78 CCCOC(C)CNC(=O)C 11a_100015185124_100015343762 [0,2,0,0,0,0|1,0,0]=3 13188 B10R0.78 CCCOC(C)CNC(=O)C 1626a_100015185124_100015343762 [0,2,0,0,0,0|1,0,0]=3 13189 B10R0.78 CCCOC(C)CNC(=O)C 240690a_100015185124_100015343762 [0,2,0,0,0,0|1,0,0]=3 13190 B10R0.78 CCCOC(C)CNC(=O)C 527a_100015185124_100103153847 [0,2,0,0,0,0|1,0,0]=3 13191 B10R0.78 CCCSC(C)CCC(C)C 62a_100000210303_100011261404 [0,2,0,0,0,0|1,0,1]=4 13192 B10R0.78 CCCSC(C)CCC(C)C 62a_100011261404_100000210303 [0,2,0,0,0,0|1,0,1]=4 13193 B10R0.78 CCNCC(C)CSC(=O)C 2230a_100015525214_200000116872 [0,2,0,0,0,0|1,0,0]=3 13194 B10R0.78 CCOCC(=O)COC(=O)C 34a_100121572206_100000036994 [0,2,0,0,0,0|1,0,1]=4 13195 B10R0.78 CCOCC(C)CSC(=O)C 34a_100121572206_200000116872 [0,2,0,0,0,0|1,0,0]=3 13196 B10R0.78 CCOCC(C)OCC(=O)N 34a_100000718985_100000187820 [0,2,0,0,0,0|2,0,0]=4 13197 B10R0.78 CCOCC(C)OCC(=O)N 7a_100000718985_100000187820 [0,2,0,0,0,0|2,0,0]=4 13198 B10R0.78 CCOCC(C)OCC(=O)[O-] 34a_100000718985_100020667443 [0,2,0,0,0,0|2,0,0]=4 13199 B10R0.78 CCOCC(O)CNC(=O)C 240690a_102515437182_100015343762 [0,2,0,0,0,0|1,0,0]=3 13200 B10R0.78 CCOCC(O)CNC(=O)C 527a_102515437182_100103153847 [0,2,0,0,0,0|1,0,0]=3 13201 B10R0.78 CCOCC(O)COC(=O)C 34a_100121572206_200000139349 [0,2,0,0,0,0|1,0,0]=3 13202 B10R0.78 CCSCC(=O)COC(=O)C 62a_100000036994_100000210202 [0,2,0,0,0,0|1,0,1]=4 13203 B10R0.78 CCSCC(=O)COC(=O)C 62a_100000210202_100000036994 [0,2,0,0,0,0|1,0,1]=4 13204 B10R0.78 CCSCC(C)CSC(=O)C 62a_100000210202_200000116872 [0,2,0,0,0,0|1,0,0]=3 13205 B10R0.78 CCSCC(C)CSC(=O)C 62a_200000116872_100000210202 [0,2,0,0,0,0|1,0,0]=3 13206 B10R0.78 CCSCC(O)COC(=O)C 62a_100000210202_200000139349 [0,2,0,0,0,0|1,0,0]=3 13207 B10R0.78 CCSCC(O)COC(=O)C 62a_200000139349_100000210202 [0,2,0,0,0,0|1,0,0]=3 13208 B10R0.78 CN(CCCF)CCC(=O)N 2230a_100000730477_100011934791 [0,2,0,0,0,0|2,0,0]=4 13209 B10R0.78 CN(CCCO)CCC(=O)N 2230a_100000213112_100000744528 [0,2,0,0,0,0|2,0,0]=4 13210 B10R0.78 CN(CCCO)CCC(=O)N 2230a_100000730477_100000230001 [0,2,0,0,0,0|2,0,0]=4 13211 B10R0.78 CN(CCCO)CCC(=O)N 269982a_100000213112_100000744528 [0,2,0,0,0,0|2,0,0]=4 13212 B10R0.78 COCCC(=O)CCC(=O)N 1458a_100011215257_100000233755 [0,2,0,0,0,0|1,0,1]=4 13213 B10R0.78 COCCC(=O)CNC(=O)C 1458a_100000194580_100000233755 [0,2,0,0,0,0|1,0,1]=4 13214 B10R0.78 COCCC(=O)COC(=O)C 1458a_100000183556_100000233755 [0,2,0,0,0,0|1,0,1]=4 13215 B10R0.78 COCCC(=O)CSC(=O)C 1458a_100000049016_100000233755 [0,2,0,0,0,0|1,0,1]=4 13216 B10R0.78 COCCN(C)CCC(=O)C 1458a_200103286627_200000210301 [0,2,0,0,0,0|1,0,0]=3 13217 B10R0.78 COCCN(C)CCC(=O)C 269982a_100000743101_100000053229 [0,2,0,0,0,0|1,0,0]=3 13218 B10R0.78 COCCN(C)CCC(=O)N 2230a_100000730477_100011201679 [0,2,0,0,0,0|2,0,0]=4 13219 B10R0.78 COCCN(C)CCC(=O)N 2230a_100000743101_100000744528 [0,2,0,0,0,0|2,0,0]=4 13220 B10R0.78 COCCN(C)CCC(=O)N 269982a_100000743101_100000744528 [0,2,0,0,0,0|2,0,0]=4 13221 B10R0.78 COCCN(C)CCC(=O)[13CH3] 1458a_200103286627_200025704644 [0,2,0,0,0,0|1,0,0]=3 13222 B10R0.78 COCCN(C)COC(=O)C 269982a_100000743101_100000076356 [0,2,0,0,0,0|2,0,0]=4 13223 B10R0.78 CSCCC(=O)CCC(=O)N 1458a_100011215257_100000751147 [0,2,0,0,0,0|1,0,1]=4 13224 B10R0.78 CSCCC(=O)CNC(=O)C 1458a_100000194580_100000751147 [0,2,0,0,0,0|1,0,1]=4 13225 B10R0.78 CSCCC(=O)COC(=O)C 1458a_100000183556_100000751147 [0,2,0,0,0,0|1,0,1]=4 13226 B10R0.78 CSCCC(=O)CSC(=O)C 1458a_100000049016_100000751147 [0,2,0,0,0,0|1,0,1]=4 13227 B10R0.78 CSCCN(C)CCC(=O)C 269982a_100000686725_100000053229 [0,2,0,0,0,0|1,0,0]=3 13228 B10R0.78 CSCCN(C)CCC(=O)N 2230a_100000686725_100000744528 [0,2,0,0,0,0|2,0,0]=4 13229 B10R0.78 CSCCN(C)CCC(=O)N 2230a_100000730477_100000751147 [0,2,0,0,0,0|2,0,0]=4 13230 B10R0.78 CSCCN(C)CCC(=O)N 269982a_100000686725_100000744528 [0,2,0,0,0,0|2,0,0]=4 13231 B10R0.78 CSCCN(C)COC(=O)C 269982a_100000686725_100000076356 [0,2,0,0,0,0|2,0,0]=4 13232 B10R0.78 NC(=O)CCC(=O)CCCF 1458a_100011215257_100011934791 [0,2,0,0,0,0|1,0,1]=4 13233 B10R0.78 NC(=O)CCC(=O)CCCO 1458a_100011215257_100011215043 [0,2,0,0,0,0|1,0,1]=4 13234 B10R0.97 C=C(Br)CCOCCC(C)C 34a_100009813270_100000210312 [0,2,0,0,0,0|1,0,1]=4 13235 B10R0.97 C=C(Br)CCOCCC(C)O 34a_100009813270_100012276601 [0,2,0,0,0,0|1,0,1]=4 13236 B10R0.97 C=C(C)CCNCCC(C)O 2230a_200000755665_100000730704 [0,2,0,0,0,0|1,0,0]=3 13237 B10R0.97 C=C(C)CCOCCC(=C)C 34a_100000764851_100000730704 [0,2,0,0,0,0|1,0,1]=4 13238 B10R0.97 C=C(C)CCOCCC(=O)C 34a_100000759926_100000730704 [0,2,0,0,0,0|0,0,1]=3 13239 B10R0.97 C=C(C)CCOCCC(=O)C 7a_100000759926_100000730704 [0,2,0,0,0,0|0,0,1]=3 13240 B10R0.97 C=C(C)CCOCCC(=O)N 34a_100000757172_100000730704 [0,2,0,0,0,0|1,0,1]=4 13241 B10R0.97 C=C(C)CCOCCC(=O)N 34a_100000764851_100000731001 [0,2,0,0,0,0|1,0,1]=4 13242 B10R0.97 C=C(C)CCOCCC(=O)N 7a_100000757172_100000730704 [0,2,0,0,0,0|1,0,1]=4 13243 B10R0.97 C=C(C)CCOCCC(C)Br 34a_100009893172_100000730704 [0,2,0,0,0,0|1,0,0]=3 13244 B10R0.97 C=C(C)CCOCCC(C)C 34a_100000210254_100000730704 [0,2,0,0,0,0|1,0,0]=3 13245 B10R0.97 C=C(C)CCOCCC(C)C 34a_100000764851_100000210312 [0,2,0,0,0,0|1,0,0]=3 13246 B10R0.97 C=C(C)CCOCCC(C)C 7a_100000210254_100000730704 [0,2,0,0,0,0|1,0,0]=3 13247 B10R0.97 C=C(C)CCOCCC(C)O 34a_100000764851_100012276601 [0,2,0,0,0,0|1,0,0]=3 13248 B10R0.97 C=C(C)CCOCCC(F)F 34a_100103093639_100000730704 [0,2,0,0,0,0|2,0,0]=4 13249 B10R0.97 C=C(C)CCOCC[C@@H](C)N 34a_100000706166_100000730704 [0,2,0,0,0,0|1,0,0]=3 13250 B10R0.97 C=C(C)CCOCOC(=O)C 34a_100000764851_100009813279 [0,2,0,0,0,0|1,0,1]=4 13251 B10R0.97 C=C(C)CCOCOC(C)C 34a_100000764851_100000709892 [0,2,0,0,0,0|2,0,0]=4 13252 B10R0.97 C=C(C)CCSCCC(=C)C 62a_100000730704_100000730704 [0,2,0,0,0,0|1,0,1]=4 13253 B10R0.97 C=C(C)CCSCCC(=O)C 62a_100000053229_100000730704 [0,2,0,0,0,0|0,0,1]=3 13254 B10R0.97 C=C(C)CCSCCC(=O)C 62a_100000730704_100000053229 [0,2,0,0,0,0|0,0,1]=3 13255 B10R0.97 C=C(C)CCSCCC(=O)N 62a_100000730704_100000744528 [0,2,0,0,0,0|1,0,1]=4 13256 B10R0.97 C=C(C)CCSCCC(=O)N 62a_100000744528_100000730704 [0,2,0,0,0,0|1,0,1]=4 13257 B10R0.97 C=C(C)CCSCCC(C)C 62a_100000210312_100000730704 [0,2,0,0,0,0|1,0,0]=3 13258 B10R0.97 C=C(C)CCSCCC(C)C 62a_100000730704_100000210312 [0,2,0,0,0,0|1,0,0]=3 13259 B10R0.97 C=C(C)CCSCCC(C)O 62a_100000730704_100012276601 [0,2,0,0,0,0|1,0,0]=3 13260 B10R0.97 C=C(C)CCSCCC(C)O 62a_100012276601_100000730704 [0,2,0,0,0,0|1,0,0]=3 13261 B10R0.97 C=C(C)CCSCCN(C)C 62a_100000730704_100000755713 [0,2,0,0,0,0|2,0,0]=4 13262 B10R0.97 C=C(C)CCSCOC(=O)C 62a_100000076356_100000730704 [0,2,0,0,0,0|1,0,1]=4 13263 B10R0.97 C=C(C)CCSCOC(=O)C 62a_100000730704_100000076356 [0,2,0,0,0,0|1,0,1]=4 13264 B10R0.97 C=C(C)CCSCOC(C)C 62a_100000709892_100000730704 [0,2,0,0,0,0|2,0,0]=4 13265 B10R0.97 C=C(C)CCSCOC(C)C 62a_100000730704_100000709892 [0,2,0,0,0,0|2,0,0]=4 13266 B10R0.97 C=C(C)CNCCCC(=O)N 34a_100000739312_100000748629 [0,2,0,0,0,0|1,0,1]=4 13267 B10R0.97 C=C(C)CNCCCC(C)C 2230a_200000737386_100000748629 [0,2,0,0,0,0|1,0,0]=3 13268 B10R0.97 C=C(C)CNCCCC(C)C 34a_200000737386_100000748629 [0,2,0,0,0,0|1,0,0]=3 13269 B10R0.97 C=C(C)CNCCCS(=O)C 2230a_200000753449_100000748629 [0,2,0,0,0,0|1,0,1]=4 13270 B10R0.97 C=C(C)CNCCNC(=O)C 2230a_100000209853_100000748629 [0,2,0,0,0,0|1,0,1]=4 13271 B10R0.97 C=C(C)CNCCOC(C)C 2230a_100000701111_100000748629 [0,2,0,0,0,0|2,0,0]=4 13272 B10R0.97 C=C(C)CNCCOC(C)C 34a_100000701111_100000748629 [0,2,0,0,0,0|2,0,0]=4 13273 B10R0.97 C=C(C)CNCCSC(C)C 2230a_100000731138_100000748629 [0,2,0,0,0,0|2,0,0]=4 13274 B10R0.97 C=C(C)CNCCSC(C)C 34a_100000731138_100000748629 [0,2,0,0,0,0|2,0,0]=4 13275 B10R0.97 C=C(C)COCCCC(=O)C 34a_100000210245_100000685027 [0,2,0,0,0,0|0,0,1]=3 13276 B10R0.97 C=C(C)COCCCC(=O)C 34a_100000759063_100000748629 [0,2,0,0,0,0|0,0,1]=3 13277 B10R0.97 C=C(C)COCCCC(=O)C 7a_100000759063_100000748629 [0,2,0,0,0,0|0,0,1]=3 13278 B10R0.97 C=C(C)COCCCC(=O)N 34a_100000210245_100102525003 [0,2,0,0,0,0|1,0,1]=4 13279 B10R0.97 C=C(C)COCCCC(C)C 34a_100000210245_100011214892 [0,2,0,0,0,0|1,0,0]=3 13280 B10R0.97 C=C(C)COCCCC(C)C 34a_100000210774_100000748629 [0,2,0,0,0,0|1,0,0]=3 13281 B10R0.97 C=C(C)COCCCC(C)C 7a_100000210774_100000748629 [0,2,0,0,0,0|1,0,0]=3 13282 B10R0.97 C=C(C)COCCCC(C)O 34a_100000210245_200000718107 [0,2,0,0,0,0|1,0,0]=3 13283 B10R0.97 C=C(C)COCCNC(=O)C 34a_100000158858_100000748629 [0,2,0,0,0,0|1,0,1]=4 13284 B10R0.97 C=C(C)COCCNC(C)C 34a_100000224655_100000748629 [0,2,0,0,0,0|2,0,0]=4 13285 B10R0.97 C=C(C)COCCOC(=O)C 34a_100000210245_100009814007 [0,2,0,0,0,0|1,0,1]=4 13286 B10R0.97 C=C(C)COCCOC(C)C 34a_100000210245_100000211751 [0,2,0,0,0,0|2,0,0]=4 13287 B10R0.97 C=C(C)COCCOC(C)C 34a_100000211219_100000748629 [0,2,0,0,0,0|2,0,0]=4 13288 B10R0.97 C=C(C)COCCOC(C)C 7a_100000211219_100000748629 [0,2,0,0,0,0|2,0,0]=4 13289 B10R0.97 C=C(C)COCCSC(C)C 34a_100000210245_100000730970 [0,2,0,0,0,0|2,0,0]=4 13290 B10R0.97 C=C(C)COCCSC(C)C 34a_200011212901_100000748629 [0,2,0,0,0,0|2,0,0]=4 13291 B10R0.97 C=C(C)COCCSC(C)C 7a_200011212901_100000748629 [0,2,0,0,0,0|2,0,0]=4 13292 B10R0.97 C=C(C)CSCCCC(=O)C 62a_100000748629_100011215641 [0,2,0,0,0,0|0,0,1]=3 13293 B10R0.97 C=C(C)CSCCCC(=O)C 62a_100011215641_100000211660 [0,2,0,0,0,0|0,0,1]=3 13294 B10R0.97 C=C(C)CSCCCC(=O)N 62a_100000748629_100102525003 [0,2,0,0,0,0|1,0,1]=4 13295 B10R0.97 C=C(C)CSCCCC(=O)N 62a_100102525003_100000211660 [0,2,0,0,0,0|1,0,1]=4 13296 B10R0.97 C=C(C)CSCCCC(C)C 62a_100000748629_100011214892 [0,2,0,0,0,0|1,0,0]=3 13297 B10R0.97 C=C(C)CSCCCC(C)C 62a_100011214892_100000211660 [0,2,0,0,0,0|1,0,0]=3 13298 B10R0.97 C=C(C)CSCCCC(C)O 62a_100000748629_200000718107 [0,2,0,0,0,0|1,0,0]=3 13299 B10R0.97 C=C(C)CSCCCC(C)O 62a_200000718107_100000211660 [0,2,0,0,0,0|1,0,0]=3 13300 B10R0.97 C=C(C)CSCCCN(C)C 62a_100000748629_100000757444 [0,2,0,0,0,0|2,0,0]=4 13301 B10R0.97 C=C(C)CSCCNC(=O)C 62a_100000189650_100000211660 [0,2,0,0,0,0|1,0,1]=4 13302 B10R0.97 C=C(C)CSCCNC(=O)C 62a_100000748629_100000189650 [0,2,0,0,0,0|1,0,1]=4 13303 B10R0.97 C=C(C)CSCCOC(=O)C 62a_100000748629_100009814007 [0,2,0,0,0,0|1,0,1]=4 13304 B10R0.97 C=C(C)CSCCOC(=O)C 62a_100009814007_100000211660 [0,2,0,0,0,0|1,0,1]=4 13305 B10R0.97 C=C(C)CSCCOC(C)C 62a_100000211751_100000211660 [0,2,0,0,0,0|2,0,0]=4 13306 B10R0.97 C=C(C)CSCCOC(C)C 62a_100000748629_100000211751 [0,2,0,0,0,0|2,0,0]=4 13307 B10R0.97 C=C(C)CSCCSC(C)C 62a_100000730970_100000211660 [0,2,0,0,0,0|2,0,0]=4 13308 B10R0.97 C=C(C)CSCCSC(C)C 62a_100000748629_100000730970 [0,2,0,0,0,0|2,0,0]=4 13309 B10R0.97 C=C(F)CNCCCC(C)C 2230a_200000737386_100009893438 [0,2,0,0,0,0|1,0,1]=4 13310 B10R0.97 C=C(F)CNCCCC(C)C 34a_200000737386_100009893438 [0,2,0,0,0,0|1,0,1]=4 13311 B10R0.97 C=C(F)COCCCC(=O)C 34a_100000759063_100009893438 [0,2,0,0,0,0|0,0,2]=4 13312 B10R0.97 C=C(F)COCCCC(=O)C 34a_200010262243_100000685027 [0,2,0,0,0,0|0,0,2]=4 13313 B10R0.97 C=C(F)COCCCC(=O)C 7a_100000759063_100000042424 [0,2,0,0,0,0|0,0,2]=4 13314 B10R0.97 C=C(F)COCCCC(C)C 34a_100000210774_100009893438 [0,2,0,0,0,0|1,0,1]=4 13315 B10R0.97 C=C(F)COCCCC(C)C 34a_200010262243_100011214892 [0,2,0,0,0,0|1,0,1]=4 13316 B10R0.97 C=C(F)COCCCC(C)C 7a_100000210774_100000042424 [0,2,0,0,0,0|1,0,1]=4 13317 B10R0.97 C=C(F)COCCCC(C)O 34a_200010262243_200000718107 [0,2,0,0,0,0|1,0,1]=4 13318 B10R0.97 C=C(F)CSCCCC(=O)C 62a_100000042424_100011215641 [0,2,0,0,0,0|0,0,2]=4 13319 B10R0.97 C=C(F)CSCCCC(=O)C 62a_100011215641_100000042424 [0,2,0,0,0,0|0,0,2]=4 13320 B10R0.97 C=C(F)CSCCCC(C)C 62a_100000042424_100011214892 [0,2,0,0,0,0|1,0,1]=4 13321 B10R0.97 C=C(F)CSCCCC(C)C 62a_100011214892_100000042424 [0,2,0,0,0,0|1,0,1]=4 13322 B10R0.97 C=C(F)CSCCCC(C)O 62a_100000042424_200000718107 [0,2,0,0,0,0|1,0,1]=4 13323 B10R0.97 C=C(F)CSCCCC(C)O 62a_200000718107_100000042424 [0,2,0,0,0,0|1,0,1]=4 13324 B10R0.97 CC(=CCCNCC(C)C)C 2230a_100000210953_100011217483 [0,2,0,0,0,0|1,0,1]=4 13325 B10R0.97 CC(=CCCNCC(C)C)C 34a_100000210953_100011217483 [0,2,0,0,0,0|1,0,1]=4 13326 B10R0.97 CC(=CCCNCC(C)O)C 2230a_100000210904_100011217483 [0,2,0,0,0,0|1,0,1]=4 13327 B10R0.97 CC(=CCCNCC(C)O)C 34a_100000210904_100011217483 [0,2,0,0,0,0|1,0,1]=4 13328 B10R0.97 CC(=CCCOCC(C)Br)C 34a_100012180447_100011217483 [0,2,0,0,0,0|1,0,1]=4 13329 B10R0.97 CC(=CCCOCC(C)C)C 34a_100000210257_100011217483 [0,2,0,0,0,0|1,0,1]=4 13330 B10R0.97 CC(=CCCOCC(C)F)C 34a_100015925927_100011217483 [0,2,0,0,0,0|1,0,1]=4 13331 B10R0.97 CC(=CCCOC[C@@H](C)Cl)C 34a_100016084084_100011217483 [0,2,0,0,0,0|1,0,1]=4 13332 B10R0.97 CC(=CCCOC[C@@H](C)N)C 34a_100000737577_100011217483 [0,2,0,0,0,0|1,0,1]=4 13333 B10R0.97 CC(=CCCSCC(C)C)C 62a_100000210624_100011217483 [0,2,0,0,0,0|1,0,1]=4 13334 B10R0.97 CC(=CCCSCC(C)C)C 62a_100011217483_100000210760 [0,2,0,0,0,0|1,0,1]=4 13335 B10R0.97 CC(=CCCSCC(C)O)C 62a_100011217483_100011218427 [0,2,0,0,0,0|1,0,1]=4 13336 B10R0.97 CC(=CCCSCC(C)O)C 62a_100011218427_100011217483 [0,2,0,0,0,0|1,0,1]=4 13337 B10R0.97 CC(=CCCSC[C@@H](C)O)C 62a_100009817552_100011217483 [0,2,0,0,0,0|1,0,1]=4 13338 B10R0.97 CC(=CCCSC[C@@H](C)O)C 62a_100011217483_100009817552 [0,2,0,0,0,0|1,0,1]=4 13339 B10R0.97 CC(=CCNCCC(C)C)C 34a_100000718196_100000210312 [0,2,0,0,0,0|1,0,1]=4 13340 B10R0.97 CC(=CCNCCC(C)O)C 2230a_200000755665_100000761012 [0,2,0,0,0,0|1,0,1]=4 13341 B10R0.97 CC(=CCNCCC(C)O)C 34a_100000718196_100012276601 [0,2,0,0,0,0|1,0,1]=4 13342 B10R0.97 CC(=CCOCCC(C)Br)C 34a_100009893172_100000761012 [0,2,0,0,0,0|1,0,1]=4 13343 B10R0.97 CC(=CCOCCC(C)C)C 34a_100000210254_100000761012 [0,2,0,0,0,0|1,0,1]=4 13344 B10R0.97 CC(=CCOCCC(C)C)C 34a_100000753907_100000210312 [0,2,0,0,0,0|1,0,1]=4 13345 B10R0.97 CC(=CCOCCC(C)C)C 7a_100000210254_100000761012 [0,2,0,0,0,0|1,0,1]=4 13346 B10R0.97 CC(=CCOCCC(C)O)C 34a_100000753907_100012276601 [0,2,0,0,0,0|1,0,1]=4 13347 B10R0.97 CC(=CCOCC[C@@H](C)N)C 34a_100000706166_100000761012 [0,2,0,0,0,0|1,0,1]=4 13348 B10R0.97 CC(=CCSCCC(C)C)C 62a_100000210312_100000761012 [0,2,0,0,0,0|1,0,1]=4 13349 B10R0.97 CC(=CCSCCC(C)C)C 62a_100000761012_100000210312 [0,2,0,0,0,0|1,0,1]=4 13350 B10R0.97 CC(=CCSCCC(C)O)C 62a_100000761012_100012276601 [0,2,0,0,0,0|1,0,1]=4 13351 B10R0.97 CC(=CCSCCC(C)O)C 62a_100012276601_100000761012 [0,2,0,0,0,0|1,0,1]=4 13352 B10R0.97 CC(=O)CCCCCB(O)O 1458a_100000070787_200009817188 [0,2,0,0,0,0|1,0,0]=3 13353 B10R0.97 CC(=O)CCCCCC(=O)N 1458a_100000070787_100009817443 [0,2,0,0,0,0|0,0,1]=3 13354 B10R0.97 CC(=O)CCCCCC(C)C 1458a_100000070787_100000210682 [0,2,0,0,0,0|0,0,0]=2 13355 B10R0.97 CC(=O)CCCCCC(C)C 1458a_100000766313_200000210301 [0,2,0,0,0,0|0,0,0]=2 13356 B10R0.97 CC(=O)CCCCC[N+](=O)[O-] 1458a_100000043470_200000210301 [0,2,0,0,0,0|1,0,0]=3 13357 B10R0.97 CC(=O)CCCCNC(C)C 34a_100138425928_100009817362 [0,2,0,0,0,0|0,0,0]=2 13358 B10R0.97 CC(=O)CCCCOC(=O)C 1458a_100000070787_100000033659 [0,2,0,0,0,0|0,0,1]=3 13359 B10R0.97 CC(=O)CCCCOC(C)C 34a_100000212225_100009817362 [0,2,0,0,0,0|0,0,0]=2 13360 B10R0.97 CC(=O)CCCCO[N+](=O)[O-] 1458a_100000070787_100015694321 [0,2,0,0,0,0|2,0,0]=4 13361 B10R0.97 CC(=O)CCCCSC(=O)C 1458a_100000070787_200010402107 [0,2,0,0,0,0|0,0,1]=3 13362 B10R0.97 CC(=O)CCCCSC(C)C 62a_100000210206_100000735457 [0,2,0,0,0,0|0,0,0]=2 13363 B10R0.97 CC(=O)CCCCSC(C)C 62a_100000735457_100000210206 [0,2,0,0,0,0|0,0,0]=2 13364 B10R0.97 CC(=O)CCCNCC(=O)O 269956a_100016091260_100011215641 [0,2,0,0,0,0|1,0,1]=4 13365 B10R0.97 CC(=O)CCCNCC(C)C 34a_100000210953_100000685027 [0,2,0,0,0,0|0,0,0]=2 13366 B10R0.97 CC(=O)CCCNCC(C)O 34a_100000210904_100000685027 [0,2,0,0,0,0|0,0,0]=2 13367 B10R0.97 CC(=O)CCCNCC(F)F 34a_100000765723_100000685027 [0,2,0,0,0,0|1,0,0]=3 13368 B10R0.97 CC(=O)CCCOCC(=O)C 34a_100000211253_100000685027 [0,2,0,0,0,0|0,0,1]=3 13369 B10R0.97 CC(=O)CCCOCC(=O)N 34a_100000759063_100000187820 [0,2,0,0,0,0|1,0,1]=4 13370 B10R0.97 CC(=O)CCCOCC(=O)N 7a_100000759063_100000187820 [0,2,0,0,0,0|1,0,1]=4 13371 B10R0.97 CC(=O)CCCOCC(=O)[O-] 34a_100000759063_100020667443 [0,2,0,0,0,0|1,0,1]=4 13372 B10R0.97 CC(=O)CCCOCC(C)Br 34a_100012180447_100000685027 [0,2,0,0,0,0|0,0,0]=2 13373 B10R0.97 CC(=O)CCCOCC(C)C 34a_100000210257_100000685027 [0,2,0,0,0,0|0,0,0]=2 13374 B10R0.97 CC(=O)CCCOCC(C)C 34a_100000759063_100000210624 [0,2,0,0,0,0|0,0,0]=2 13375 B10R0.97 CC(=O)CCCOCC(C)C 7a_100000759063_100000210760 [0,2,0,0,0,0|0,0,0]=2 13376 B10R0.97 CC(=O)CCCOCC(C)F 34a_100015925927_100000685027 [0,2,0,0,0,0|0,0,0]=2 13377 B10R0.97 CC(=O)CCCOCC(C)O 34a_100000759063_100011218427 [0,2,0,0,0,0|0,0,0]=2 13378 B10R0.97 CC(=O)CCCOCC(C)O 7a_100000759063_100011218427 [0,2,0,0,0,0|0,0,0]=2 13379 B10R0.97 CC(=O)CCCOCC(F)F 34a_100000743014_100000685027 [0,2,0,0,0,0|1,0,0]=3 13380 B10R0.97 CC(=O)CCCOCC(F)F 34a_100000759063_100011934356 [0,2,0,0,0,0|1,0,0]=3 13381 B10R0.97 CC(=O)CCCOCC(F)F 7a_100000759063_100011934356 [0,2,0,0,0,0|1,0,0]=3 13382 B10R0.97 CC(=O)CCCOC[C@@H](C)Cl 34a_100016084084_100000685027 [0,2,0,0,0,0|0,0,0]=2 13383 B10R0.97 CC(=O)CCCOC[C@@H](C)N 34a_100000737577_100000685027 [0,2,0,0,0,0|0,0,0]=2 13384 B10R0.97 CC(=O)CCCOC[C@@H](C)O 34a_100000759063_100009817552 [0,2,0,0,0,0|0,0,0]=2 13385 B10R0.97 CC(=O)CCCOC[C@@H](C)O 7a_100000759063_100009817552 [0,2,0,0,0,0|0,0,0]=2 13386 B10R0.97 CC(=O)CCCOC[N+](=O)[O-] 34a_100000759063_100000761209 [0,2,0,0,0,0|2,0,0]=4 13387 B10R0.97 CC(=O)CCCSCC(=O)N 62a_100000747473_100011215641 [0,2,0,0,0,0|1,0,1]=4 13388 B10R0.97 CC(=O)CCCSCC(=O)N 62a_100011215641_100000747473 [0,2,0,0,0,0|1,0,1]=4 13389 B10R0.97 CC(=O)CCCSCC(=O)[O-] 62a_100011215641_100020667443 [0,2,0,0,0,0|1,0,1]=4 13390 B10R0.97 CC(=O)CCCSCC(=O)[O-] 62a_100020667443_100011215641 [0,2,0,0,0,0|1,0,1]=4 13391 B10R0.97 CC(=O)CCCSCC(C)C 62a_100000210624_100011215641 [0,2,0,0,0,0|0,0,0]=2 13392 B10R0.97 CC(=O)CCCSCC(C)C 62a_100011215641_100000210760 [0,2,0,0,0,0|0,0,0]=2 13393 B10R0.97 CC(=O)CCCSCC(C)O 62a_100011215641_100011218427 [0,2,0,0,0,0|0,0,0]=2 13394 B10R0.97 CC(=O)CCCSCC(C)O 62a_100011218427_100011215641 [0,2,0,0,0,0|0,0,0]=2 13395 B10R0.97 CC(=O)CCCSCC(F)F 62a_100011215641_100011934356 [0,2,0,0,0,0|1,0,0]=3 13396 B10R0.97 CC(=O)CCCSCC(F)F 62a_100011934356_100011215641 [0,2,0,0,0,0|1,0,0]=3 13397 B10R0.97 CC(=O)CCCSC[C@@H](C)O 62a_100009817552_100011215641 [0,2,0,0,0,0|0,0,0]=2 13398 B10R0.97 CC(=O)CCCSC[C@@H](C)O 62a_100011215641_100009817552 [0,2,0,0,0,0|0,0,0]=2 13399 B10R0.97 CC(=O)CCCSC[N+](=O)[O-] 62a_100011215641_100000761209 [0,2,0,0,0,0|2,0,0]=4 13400 B10R0.97 CC(=O)CCOCC=C(C)C 34a_100000759926_100000761012 [0,2,0,0,0,0|0,0,2]=4 13401 B10R0.97 CC(=O)CCOCC=C(C)C 7a_100000759926_100000761012 [0,2,0,0,0,0|0,0,2]=4 13402 B10R0.97 CC(=O)CCOCCC(=O)C 7a_100000759926_100000053229 [0,2,0,0,0,0|0,0,1]=3 13403 B10R0.97 CC(=O)CCOCCC(=O)N 34a_100000759926_100000731001 [0,2,0,0,0,0|1,0,1]=4 13404 B10R0.97 CC(=O)CCOCCC(=O)N 7a_100000757172_100000053229 [0,2,0,0,0,0|1,0,1]=4 13405 B10R0.97 CC(=O)CCOCCC(=O)N 7a_100000759926_100000744528 [0,2,0,0,0,0|1,0,1]=4 13406 B10R0.97 CC(=O)CCOCCC(C)C 34a_100000759926_100000210312 [0,2,0,0,0,0|0,0,0]=2 13407 B10R0.97 CC(=O)CCOCCC(C)C 7a_100000210254_100000053229 [0,2,0,0,0,0|0,0,0]=2 13408 B10R0.97 CC(=O)CCOCCC(C)C 7a_100000759926_100000210626 [0,2,0,0,0,0|0,0,0]=2 13409 B10R0.97 CC(=O)CCOCCC(C)O 34a_100000759926_100012276601 [0,2,0,0,0,0|0,0,0]=2 13410 B10R0.97 CC(=O)CCOCCC(C)O 7a_100000759926_100012276601 [0,2,0,0,0,0|0,0,0]=2 13411 B10R0.97 CC(=O)CCOCCN(C)C 7a_100000759926_100000755713 [0,2,0,0,0,0|1,0,0]=3 13412 B10R0.97 CC(=O)CCOCOC(=O)C 34a_100000759926_100009813279 [0,2,0,0,0,0|1,0,1]=4 13413 B10R0.97 CC(=O)CCOCOC(C)C 34a_100000759926_100000709892 [0,2,0,0,0,0|1,0,0]=3 13414 B10R0.97 CC(=O)CCSCC=C(C)C 62a_100000053229_100000761012 [0,2,0,0,0,0|0,0,2]=4 13415 B10R0.97 CC(=O)CCSCC=C(C)C 62a_100000761012_100000053229 [0,2,0,0,0,0|0,0,2]=4 13416 B10R0.97 CC(=O)CCSCCC(=O)C 62a_100000053229_100000053229 [0,2,0,0,0,0|0,0,1]=3 13417 B10R0.97 CC(=O)CCSCCC(=O)N 62a_100000053229_100000744528 [0,2,0,0,0,0|1,0,1]=4 13418 B10R0.97 CC(=O)CCSCCC(=O)N 62a_100000744528_100000053229 [0,2,0,0,0,0|1,0,1]=4 13419 B10R0.97 CC(=O)CCSCCC(C)C 62a_100000053229_100000210312 [0,2,0,0,0,0|0,0,0]=2 13420 B10R0.97 CC(=O)CCSCCC(C)C 62a_100000210312_100000053229 [0,2,0,0,0,0|0,0,0]=2 13421 B10R0.97 CC(=O)CCSCCC(C)O 62a_100000053229_100012276601 [0,2,0,0,0,0|0,0,0]=2 13422 B10R0.97 CC(=O)CCSCCC(C)O 62a_100012276601_100000053229 [0,2,0,0,0,0|0,0,0]=2 13423 B10R0.97 CC(=O)CCSCCN(C)C 62a_100000053229_100000755713 [0,2,0,0,0,0|1,0,0]=3 13424 B10R0.97 CC(=O)CCSCOC(=O)C 62a_100000053229_100000076356 [0,2,0,0,0,0|1,0,1]=4 13425 B10R0.97 CC(=O)CCSCOC(=O)C 62a_100000076356_100000053229 [0,2,0,0,0,0|1,0,1]=4 13426 B10R0.97 CC(=O)CCSCOC(C)C 62a_100000053229_100000709892 [0,2,0,0,0,0|1,0,0]=3 13427 B10R0.97 CC(=O)CCSCOC(C)C 62a_100000709892_100000053229 [0,2,0,0,0,0|1,0,0]=3 13428 B10R0.97 CC(=O)COCCC=C(C)C 34a_100000211253_100011217483 [0,2,0,0,0,0|0,0,2]=4 13429 B10R0.97 CC(=O)COCCCC(=O)N 34a_100000211253_100102525003 [0,2,0,0,0,0|1,0,1]=4 13430 B10R0.97 CC(=O)COCCCC(C)C 34a_100000211253_100011214892 [0,2,0,0,0,0|0,0,0]=2 13431 B10R0.97 CC(=O)COCCCC(C)O 34a_100000211253_200000718107 [0,2,0,0,0,0|0,0,0]=2 13432 B10R0.97 CC(=O)COCCOC(=O)C 34a_100000211253_100009814007 [0,2,0,0,0,0|1,0,1]=4 13433 B10R0.97 CC(=O)COCCOC(C)C 34a_100000211253_100000211751 [0,2,0,0,0,0|1,0,0]=3 13434 B10R0.97 CC(=O)COCCSC(C)C 34a_100000211253_100000730970 [0,2,0,0,0,0|1,0,0]=3 13435 B10R0.97 CC(=O)NCCCCC(=O)N 11a_100000696515_100015343762 [0,2,0,0,0,0|1,0,1]=4 13436 B10R0.97 CC(=O)NCCCCC(=O)N 1626a_100000696515_100015343762 [0,2,0,0,0,0|1,0,1]=4 13437 B10R0.97 CC(=O)NCCCCC(=O)N 240690a_100000696515_100015343762 [0,2,0,0,0,0|1,0,1]=4 13438 B10R0.97 CC(=O)NCCCCC(=O)N 527a_100000696515_100103153847 [0,2,0,0,0,0|1,0,1]=4 13439 B10R0.97 CC(=O)NCCCCN(C)C 240690a_100025707445_100015343762 [0,2,0,0,0,0|1,0,0]=3 13440 B10R0.97 CC(=O)NCCCNC(=O)C 11a_100000736810_100015343762 [0,2,0,0,0,0|1,0,1]=4 13441 B10R0.97 CC(=O)NCCCNC(=O)C 240690a_100000736810_100015343762 [0,2,0,0,0,0|1,0,1]=4 13442 B10R0.97 CC(=O)NCCCNC(=O)C 527a_100000736810_100103153847 [0,2,0,0,0,0|1,0,1]=4 13443 B10R0.97 CC(=O)NCCCNC(C)C 34a_100000736810_100000210206 [0,2,0,0,0,0|1,0,0]=3 13444 B10R0.97 CC(=O)NCCCOC(C)C 11a_100000737246_100015343762 [0,2,0,0,0,0|1,0,0]=3 13445 B10R0.97 CC(=O)NCCCOC(C)C 1626a_100000737246_100015343762 [0,2,0,0,0,0|1,0,0]=3 13446 B10R0.97 CC(=O)NCCCOC(C)C 240690a_100000737246_100015343762 [0,2,0,0,0,0|1,0,0]=3 13447 B10R0.97 CC(=O)NCCCOC(C)C 34a_100000752032_100000210206 [0,2,0,0,0,0|1,0,0]=3 13448 B10R0.97 CC(=O)NCCCOC(C)C 527a_100000737246_100103153847 [0,2,0,0,0,0|1,0,0]=3 13449 B10R0.97 CC(=O)NCCNCC(C)C 2230a_100000209853_100000210760 [0,2,0,0,0,0|1,0,0]=3 13450 B10R0.97 CC(=O)NCCNCC(C)C 2230a_100000210953_100000189650 [0,2,0,0,0,0|1,0,0]=3 13451 B10R0.97 CC(=O)NCCNCC(C)O 2230a_100000209853_100011218427 [0,2,0,0,0,0|1,0,0]=3 13452 B10R0.97 CC(=O)NCCNCC(C)O 2230a_100000210904_100000189650 [0,2,0,0,0,0|1,0,0]=3 13453 B10R0.97 CC(=O)NCCNCC(F)F 2230a_100000209853_100011934356 [0,2,0,0,0,0|2,0,0]=4 13454 B10R0.97 CC(=O)NCCNC[C@@H](C)O 2230a_100000209853_100009817552 [0,2,0,0,0,0|1,0,0]=3 13455 B10R0.97 CC(=O)NCCOCC(C)C 34a_100000158858_100000210624 [0,2,0,0,0,0|1,0,0]=3 13456 B10R0.97 CC(=O)NCCOCC(C)O 34a_100000158858_100011218427 [0,2,0,0,0,0|1,0,0]=3 13457 B10R0.97 CC(=O)NCCOCC(F)F 34a_100000158858_100011934356 [0,2,0,0,0,0|2,0,0]=4 13458 B10R0.97 CC(=O)NCCOC[C@@H](C)O 34a_100000158858_100009817552 [0,2,0,0,0,0|1,0,0]=3 13459 B10R0.97 CC(=O)NCCSCC(C)C 62a_100000189650_100000210760 [0,2,0,0,0,0|1,0,0]=3 13460 B10R0.97 CC(=O)NCCSCC(C)C 62a_100000210624_100000189650 [0,2,0,0,0,0|1,0,0]=3 13461 B10R0.97 CC(=O)NCCSCC(C)O 62a_100000189650_100011218427 [0,2,0,0,0,0|1,0,0]=3 13462 B10R0.97 CC(=O)NCCSCC(C)O 62a_100011218427_100000189650 [0,2,0,0,0,0|1,0,0]=3 13463 B10R0.97 CC(=O)NCCSCC(F)F 62a_100000189650_100011934356 [0,2,0,0,0,0|2,0,0]=4 13464 B10R0.97 CC(=O)NCCSCC(F)F 62a_100011934356_100000189650 [0,2,0,0,0,0|2,0,0]=4 13465 B10R0.97 CC(=O)NCCSC[C@@H](C)O 62a_100000189650_100009817552 [0,2,0,0,0,0|1,0,0]=3 13466 B10R0.97 CC(=O)NCCSC[C@@H](C)O 62a_100009817552_100000189650 [0,2,0,0,0,0|1,0,0]=3 13467 B10R0.97 CC(=O)OCCCCN(C)C 269982a_100102631434_100000033659 [0,2,0,0,0,0|1,0,0]=3 13468 B10R0.97 CC(=O)OCCCNC(C)C 34a_100138425928_100000042594 [0,2,0,0,0,0|1,0,0]=3 13469 B10R0.97 CC(=O)OCCCOC(C)C 34a_100000212225_100000042594 [0,2,0,0,0,0|1,0,0]=3 13470 B10R0.97 CC(=O)OCCCSC(C)C 62a_100000042594_100000210206 [0,2,0,0,0,0|1,0,0]=3 13471 B10R0.97 CC(=O)OCCCSC(C)C 62a_100000210206_100000042594 [0,2,0,0,0,0|1,0,0]=3 13472 B10R0.97 CC(=O)OCCNCC(C)C 34a_100000210953_100009814007 [0,2,0,0,0,0|1,0,0]=3 13473 B10R0.97 CC(=O)OCCNCC(C)O 34a_100000210904_100009814007 [0,2,0,0,0,0|1,0,0]=3 13474 B10R0.97 CC(=O)OCCNCC(F)F 34a_100000765723_100009814007 [0,2,0,0,0,0|2,0,0]=4 13475 B10R0.97 CC(=O)OCCOCC(C)Br 34a_100012180447_100009814007 [0,2,0,0,0,0|1,0,0]=3 13476 B10R0.97 CC(=O)OCCOCC(C)C 34a_100000210257_100009814007 [0,2,0,0,0,0|1,0,0]=3 13477 B10R0.97 CC(=O)OCCOCC(C)F 34a_100015925927_100009814007 [0,2,0,0,0,0|1,0,0]=3 13478 B10R0.97 CC(=O)OCCOCC(F)F 34a_100000743014_100009814007 [0,2,0,0,0,0|2,0,0]=4 13479 B10R0.97 CC(=O)OCCOCN(C)C 269982a_100102631434_100000076355 [0,2,0,0,0,0|2,0,0]=4 13480 B10R0.97 CC(=O)OCCOC[C@@H](C)Cl 34a_100016084084_100009814007 [0,2,0,0,0,0|1,0,0]=3 13481 B10R0.97 CC(=O)OCCOC[C@@H](C)N 34a_100000737577_100009814007 [0,2,0,0,0,0|1,0,0]=3 13482 B10R0.97 CC(=O)OCCSCC(C)C 62a_100000210624_100009814007 [0,2,0,0,0,0|1,0,0]=3 13483 B10R0.97 CC(=O)OCCSCC(C)C 62a_100009814007_100000210760 [0,2,0,0,0,0|1,0,0]=3 13484 B10R0.97 CC(=O)OCCSCC(C)O 62a_100009814007_100011218427 [0,2,0,0,0,0|1,0,0]=3 13485 B10R0.97 CC(=O)OCCSCC(C)O 62a_100011218427_100009814007 [0,2,0,0,0,0|1,0,0]=3 13486 B10R0.97 CC(=O)OCCSCC(F)F 62a_100009814007_100011934356 [0,2,0,0,0,0|2,0,0]=4 13487 B10R0.97 CC(=O)OCCSCC(F)F 62a_100011934356_100009814007 [0,2,0,0,0,0|2,0,0]=4 13488 B10R0.97 CC(=O)OCCSC[C@@H](C)O 62a_100009814007_100009817552 [0,2,0,0,0,0|1,0,0]=3 13489 B10R0.97 CC(=O)OCCSC[C@@H](C)O 62a_100009817552_100009814007 [0,2,0,0,0,0|1,0,0]=3 13490 B10R0.97 CC(=O)OCOCCC(C)Br 34a_100009893172_100009813279 [0,2,0,0,0,0|1,0,0]=3 13491 B10R0.97 CC(=O)OCOCCC(C)C 34a_100000210254_100009813279 [0,2,0,0,0,0|1,0,0]=3 13492 B10R0.97 CC(=O)OCOCCC(F)F 34a_100103093639_100009813279 [0,2,0,0,0,0|2,0,0]=4 13493 B10R0.97 CC(=O)OCOCC[C@@H](C)N 34a_100000706166_100009813279 [0,2,0,0,0,0|1,0,0]=3 13494 B10R0.97 CC(=O)OCSCCC(C)C 62a_100000076356_100000210312 [0,2,0,0,0,0|1,0,0]=3 13495 B10R0.97 CC(=O)OCSCCC(C)C 62a_100000210312_100000076356 [0,2,0,0,0,0|1,0,0]=3 13496 B10R0.97 CC(=O)OCSCCC(C)O 62a_100000076356_100012276601 [0,2,0,0,0,0|1,0,0]=3 13497 B10R0.97 CC(=O)OCSCCC(C)O 62a_100012276601_100000076356 [0,2,0,0,0,0|1,0,0]=3 13498 B10R0.97 CC(=O)OCSCCN(C)C 62a_100000076356_100000755713 [0,2,0,0,0,0|2,0,0]=4 13499 B10R0.97 CC(=O)OCSCOC(C)C 62a_100000076356_100000709892 [0,2,0,0,0,0|2,0,0]=4 13500 B10R0.97 CC(=O)OCSCOC(C)C 62a_100000709892_100000076356 [0,2,0,0,0,0|2,0,0]=4 13501 B10R0.97 CC(=O)SCCCCN(C)C 2230a_100102631434_200010402107 [0,2,0,0,0,0|1,0,0]=3 13502 B10R0.97 CC(=O)SCCCCN(C)C 269982a_100102631434_200010402107 [0,2,0,0,0,0|1,0,0]=3 13503 B10R0.97 CC(=O)SCCCNC(C)C 2230a_100138425928_100000038929 [0,2,0,0,0,0|1,0,0]=3 13504 B10R0.97 CC(=O)SCCCNC(C)C 34a_100138425928_100000038929 [0,2,0,0,0,0|1,0,0]=3 13505 B10R0.97 CC(=O)SCCCOC(C)C 34a_100000212225_100000038929 [0,2,0,0,0,0|1,0,0]=3 13506 B10R0.97 CC(=O)SCCCSC(C)C 62a_100000038929_100000210206 [0,2,0,0,0,0|1,0,0]=3 13507 B10R0.97 CC(=O)SCCCSC(C)C 62a_100000210206_100000038929 [0,2,0,0,0,0|1,0,0]=3 13508 B10R0.97 CC(=S)OCCCNC(C)C 2230a_100138425928_200135323944 [0,2,0,0,0,0|1,1,0]=4 13509 B10R0.97 CC(=S)OCCCNC(C)C 34a_100138425928_200135323944 [0,2,0,0,0,0|1,1,0]=4 13510 B10R0.97 CC(=S)OCCCOC(C)C 34a_100000212225_200135323944 [0,2,0,0,0,0|1,1,0]=4 13511 B10R0.97 CC(=S)OCCCSC(C)C 62a_100000210206_200135323944 [0,2,0,0,0,0|1,1,0]=4 13512 B10R0.97 CC(=S)OCCCSC(C)C 62a_200135323944_100000210206 [0,2,0,0,0,0|1,1,0]=4 13513 B10R0.97 CC(Br)CCOCCC(=O)N 34a_100009893172_100000731001 [0,2,0,0,0,0|1,0,0]=3 13514 B10R0.97 CC(Br)COCCCC(=O)N 34a_100012180447_100102525003 [0,2,0,0,0,0|1,0,0]=3 13515 B10R0.97 CC(Br)COCCOC(=O)N 34a_100012180447_200011214921 [0,2,0,0,0,0|2,0,0]=4 13516 B10R0.97 CC(C)CCCCCC(=O)[13CH3] 1458a_100000766313_200025704644 [0,2,0,0,0,0|0,0,0]=2 13517 B10R0.97 CC(C)CCCCCN(C)C 2230a_100102631434_100000210682 [0,2,0,0,0,0|1,0,1]=4 13518 B10R0.97 CC(C)CCCCCN(C)C 269982a_100102631434_100000210682 [0,2,0,0,0,0|1,0,1]=4 13519 B10R0.97 CC(C)CCCCNC(C)C 2230a_100138425928_100011216152 [0,2,0,0,0,0|1,0,1]=4 13520 B10R0.97 CC(C)CCCCNC(C)C 34a_100138425928_100011216152 [0,2,0,0,0,0|1,0,1]=4 13521 B10R0.97 CC(C)CCCCOC(C)C 34a_100000212225_100011216152 [0,2,0,0,0,0|1,0,1]=4 13522 B10R0.97 CC(C)CCCCOC(C)C 34a_100011214890_100000210206 [0,2,0,0,0,0|1,0,1]=4 13523 B10R0.97 CC(C)CCCCOC(C)C 7a_100011214890_100000210206 [0,2,0,0,0,0|1,0,1]=4 13524 B10R0.97 CC(C)CCCCSC(C)C 62a_100000210206_100011216152 [0,2,0,0,0,0|1,0,1]=4 13525 B10R0.97 CC(C)CCCCSC(C)C 62a_100011216152_100000210206 [0,2,0,0,0,0|1,0,1]=4 13526 B10R0.97 CC(C)CCCNCC(=O)N 2230a_100000711301_100011214892 [0,2,0,0,0,0|1,0,0]=3 13527 B10R0.97 CC(C)CCCNCC(=O)N 2230a_200000737386_100000747473 [0,2,0,0,0,0|1,0,0]=3 13528 B10R0.97 CC(C)CCCNCC(=O)N 34a_200000737386_100000187820 [0,2,0,0,0,0|1,0,0]=3 13529 B10R0.97 CC(C)CCCNCC(=O)O 269956a_100016091260_100011214892 [0,2,0,0,0,0|1,0,0]=3 13530 B10R0.97 CC(C)CCCNCC(=O)[O-] 34a_200000737386_100020667443 [0,2,0,0,0,0|1,0,0]=3 13531 B10R0.97 CC(C)CCCNCC(C)C 2230a_100000210953_100011214892 [0,2,0,0,0,0|1,0,1]=4 13532 B10R0.97 CC(C)CCCNCC(C)C 2230a_200000737386_100000210760 [0,2,0,0,0,0|1,0,1]=4 13533 B10R0.97 CC(C)CCCNCC(C)C 270004a_200000737386_100000210432 [0,2,0,0,0,0|1,0,1]=4 13534 B10R0.97 CC(C)CCCNCC(C)C 34a_100000210953_100011214892 [0,2,0,0,0,0|1,0,1]=4 13535 B10R0.97 CC(C)CCCNCC(C)C 34a_200000737386_100000210624 [0,2,0,0,0,0|1,0,1]=4 13536 B10R0.97 CC(C)CCCNCC(C)O 2230a_100000210904_100011214892 [0,2,0,0,0,0|0,0,2]=4 13537 B10R0.97 CC(C)CCCNCC(C)O 2230a_200000737386_100011218427 [0,2,0,0,0,0|0,0,2]=4 13538 B10R0.97 CC(C)CCCNCC(C)O 34a_100000210904_100011214892 [0,2,0,0,0,0|0,0,2]=4 13539 B10R0.97 CC(C)CCCNCC(C)O 34a_200000737386_100011218427 [0,2,0,0,0,0|0,0,2]=4 13540 B10R0.97 CC(C)CCCNC[C@@H](C)O 2230a_200000737386_100009817552 [0,2,0,0,0,0|0,0,2]=4 13541 B10R0.97 CC(C)CCCNC[C@@H](C)O 34a_200000737386_100009817552 [0,2,0,0,0,0|0,0,2]=4 13542 B10R0.97 CC(C)CCCNC[N+](=O)[O-] 34a_200000737386_100000761209 [0,2,0,0,0,0|2,0,0]=4 13543 B10R0.97 CC(C)CCCOCC(=O)N 34a_100000210774_100000187820 [0,2,0,0,0,0|1,0,0]=3 13544 B10R0.97 CC(C)CCCOCC(=O)N 7a_100000210774_100000187820 [0,2,0,0,0,0|1,0,0]=3 13545 B10R0.97 CC(C)CCCOCC(=O)[O-] 34a_100000210774_100020667443 [0,2,0,0,0,0|1,0,0]=3 13546 B10R0.97 CC(C)CCCOCC(C)Br 34a_100012180447_100011214892 [0,2,0,0,0,0|1,0,1]=4 13547 B10R0.97 CC(C)CCCOCC(C)C 34a_100000210257_100011214892 [0,2,0,0,0,0|1,0,1]=4 13548 B10R0.97 CC(C)CCCOCC(C)C 34a_100000210774_100000210624 [0,2,0,0,0,0|1,0,1]=4 13549 B10R0.97 CC(C)CCCOCC(C)C 7a_100000210774_100000210760 [0,2,0,0,0,0|1,0,1]=4 13550 B10R0.97 CC(C)CCCOCC(C)F 34a_100015925927_100011214892 [0,2,0,0,0,0|1,0,1]=4 13551 B10R0.97 CC(C)CCCOCC(C)O 34a_100000210774_100011218427 [0,2,0,0,0,0|0,0,2]=4 13552 B10R0.97 CC(C)CCCOCC(C)O 7a_100000210774_100011218427 [0,2,0,0,0,0|0,0,2]=4 13553 B10R0.97 CC(C)CCCOC[C@@H](C)Cl 34a_100016084084_100011214892 [0,2,0,0,0,0|1,0,1]=4 13554 B10R0.97 CC(C)CCCOC[C@@H](C)N 34a_100000737577_100011214892 [0,2,0,0,0,0|1,0,1]=4 13555 B10R0.97 CC(C)CCCOC[C@@H](C)O 34a_100000210774_100009817552 [0,2,0,0,0,0|0,0,2]=4 13556 B10R0.97 CC(C)CCCOC[C@@H](C)O 7a_100000210774_100009817552 [0,2,0,0,0,0|0,0,2]=4 13557 B10R0.97 CC(C)CCCOC[N+](=O)[O-] 34a_100000210774_100000761209 [0,2,0,0,0,0|2,0,0]=4 13558 B10R0.97 CC(C)CCCSCC(=O)N 62a_100000747473_100011214892 [0,2,0,0,0,0|1,0,0]=3 13559 B10R0.97 CC(C)CCCSCC(=O)N 62a_100011214892_100000747473 [0,2,0,0,0,0|1,0,0]=3 13560 B10R0.97 CC(C)CCCSCC(=O)[O-] 62a_100011214892_100020667443 [0,2,0,0,0,0|1,0,0]=3 13561 B10R0.97 CC(C)CCCSCC(=O)[O-] 62a_100020667443_100011214892 [0,2,0,0,0,0|1,0,0]=3 13562 B10R0.97 CC(C)CCCSCC(C)C 62a_100000210624_100011214892 [0,2,0,0,0,0|1,0,1]=4 13563 B10R0.97 CC(C)CCCSCC(C)C 62a_100011214892_100000210760 [0,2,0,0,0,0|1,0,1]=4 13564 B10R0.97 CC(C)CCCSCC(C)O 62a_100011214892_100011218427 [0,2,0,0,0,0|0,0,2]=4 13565 B10R0.97 CC(C)CCCSCC(C)O 62a_100011218427_100011214892 [0,2,0,0,0,0|0,0,2]=4 13566 B10R0.97 CC(C)CCCSC[C@@H](C)O 62a_100009817552_100011214892 [0,2,0,0,0,0|0,0,2]=4 13567 B10R0.97 CC(C)CCCSC[C@@H](C)O 62a_100011214892_100009817552 [0,2,0,0,0,0|0,0,2]=4 13568 B10R0.97 CC(C)CCCSC[N+](=O)[O-] 62a_100011214892_100000761209 [0,2,0,0,0,0|2,0,0]=4 13569 B10R0.97 CC(C)CCNCCC(=O)N 269862a_100000740010_100000185833 [0,2,0,0,0,0|1,0,0]=3 13570 B10R0.97 CC(C)CCNCCC(C)C 269862a_100000210545_100000185833 [0,2,0,0,0,0|1,0,1]=4 13571 B10R0.97 CC(C)CCNCCC(C)O 2230a_200000755665_100000210312 [0,2,0,0,0,0|0,0,2]=4 13572 B10R0.97 CC(C)CCNCCC(C)O 269862a_200000755665_100000185833 [0,2,0,0,0,0|0,0,2]=4 13573 B10R0.97 CC(C)CCNCCN(C)C 269862a_100000210585_100000185833 [0,2,0,0,0,0|2,0,0]=4 13574 B10R0.97 CC(C)CCNOCC(=O)O 269956a_100000106656_100000210312 [0,2,0,0,0,0|2,0,0]=4 13575 B10R0.97 CC(C)CCOCCC(=O)N 34a_100000210254_100000731001 [0,2,0,0,0,0|1,0,0]=3 13576 B10R0.97 CC(C)CCOCCC(=O)N 34a_100000757172_100000210312 [0,2,0,0,0,0|1,0,0]=3 13577 B10R0.97 CC(C)CCOCCC(=O)N 7a_100000210254_100000744528 [0,2,0,0,0,0|1,0,0]=3 13578 B10R0.97 CC(C)CCOCCC(=O)N 7a_100000757172_100000210626 [0,2,0,0,0,0|1,0,0]=3 13579 B10R0.97 CC(C)CCOCCC(C)Br 34a_100009893172_100000210312 [0,2,0,0,0,0|1,0,1]=4 13580 B10R0.97 CC(C)CCOCCC(C)C 34a_100000210254_100000210312 [0,2,0,0,0,0|1,0,1]=4 13581 B10R0.97 CC(C)CCOCCC(C)C 7a_100000210254_100000210626 [0,2,0,0,0,0|1,0,1]=4 13582 B10R0.97 CC(C)CCOCCC(C)O 34a_100000210254_100012276601 [0,2,0,0,0,0|0,0,2]=4 13583 B10R0.97 CC(C)CCOCCC(C)O 7a_100000210254_100012276601 [0,2,0,0,0,0|0,0,2]=4 13584 B10R0.97 CC(C)CCOCCN(C)C 7a_100000210254_100000755713 [0,2,0,0,0,0|2,0,0]=4 13585 B10R0.97 CC(C)CCOCC[C@@H](C)N 34a_100000706166_100000210312 [0,2,0,0,0,0|1,0,1]=4 13586 B10R0.97 CC(C)CCSCCC(=O)N 62a_100000210312_100000744528 [0,2,0,0,0,0|1,0,0]=3 13587 B10R0.97 CC(C)CCSCCC(=O)N 62a_100000744528_100000210312 [0,2,0,0,0,0|1,0,0]=3 13588 B10R0.97 CC(C)CCSCCC(C)C 62a_100000210312_100000210312 [0,2,0,0,0,0|1,0,1]=4 13589 B10R0.97 CC(C)CCSCCC(C)O 62a_100000210312_100012276601 [0,2,0,0,0,0|0,0,2]=4 13590 B10R0.97 CC(C)CCSCCC(C)O 62a_100012276601_100000210312 [0,2,0,0,0,0|0,0,2]=4 13591 B10R0.97 CC(C)CCSCCN(C)C 62a_100000210312_100000755713 [0,2,0,0,0,0|2,0,0]=4 13592 B10R0.97 CC(C)CNCCCC(=O)N 34a_100000210953_100102525003 [0,2,0,0,0,0|1,0,0]=3 13593 B10R0.97 CC(C)CNCCCC(=O)N 34a_100000739312_100000210624 [0,2,0,0,0,0|1,0,0]=3 13594 B10R0.97 CC(C)CNCCCC(C)O 2230a_100000210953_200000718107 [0,2,0,0,0,0|0,0,2]=4 13595 B10R0.97 CC(C)CNCCCC(C)O 34a_100000210953_200000718107 [0,2,0,0,0,0|0,0,2]=4 13596 B10R0.97 CC(C)CNCCCN(C)C 270004a_102531767803_100000210432 [0,2,0,0,0,0|2,0,0]=4 13597 B10R0.97 CC(C)CNCCCS(=O)C 2230a_200000753449_100000210760 [0,2,0,0,0,0|1,0,0]=3 13598 B10R0.97 CC(C)CNCCCS(=O)C 270004a_200000753449_100000210432 [0,2,0,0,0,0|1,0,0]=3 13599 B10R0.97 CC(C)CNCCNC(=O)N 2230a_100000210953_200000034859 [0,2,0,0,0,0|2,0,0]=4 13600 B10R0.97 CC(C)CNCCNC(=O)N 34a_100020590234_100000210624 [0,2,0,0,0,0|2,0,0]=4 13601 B10R0.97 CC(C)CNCCOC(=O)N 34a_100000210953_200011214921 [0,2,0,0,0,0|2,0,0]=4 13602 B10R0.97 CC(C)COCCCC(=O)N 34a_100000210257_100102525003 [0,2,0,0,0,0|1,0,0]=3 13603 B10R0.97 CC(C)COCCCC(C)O 34a_100000210257_200000718107 [0,2,0,0,0,0|0,0,2]=4 13604 B10R0.97 CC(C)COCCC[N+](=O)[O-] 34a_200000037920_100000210624 [0,2,0,0,0,0|2,0,0]=4 13605 B10R0.97 CC(C)COCCNC(=O)N 34a_100000181757_100000210624 [0,2,0,0,0,0|2,0,0]=4 13606 B10R0.97 CC(C)COCCOC(=O)N 34a_100000210257_200011214921 [0,2,0,0,0,0|2,0,0]=4 13607 B10R0.97 CC(C)COCCOC(=O)N 7a_100000766696_100000210760 [0,2,0,0,0,0|2,0,0]=4 13608 B10R0.97 CC(C)CSCCCC(=O)N 62a_100000210624_100102525003 [0,2,0,0,0,0|1,0,0]=3 13609 B10R0.97 CC(C)CSCCCC(=O)N 62a_100102525003_100000210760 [0,2,0,0,0,0|1,0,0]=3 13610 B10R0.97 CC(C)CSCCCC(C)O 62a_100000210624_200000718107 [0,2,0,0,0,0|0,0,2]=4 13611 B10R0.97 CC(C)CSCCCC(C)O 62a_200000718107_100000210760 [0,2,0,0,0,0|0,0,2]=4 13612 B10R0.97 CC(C)CSCCCN(C)C 62a_100000210624_100000757444 [0,2,0,0,0,0|2,0,0]=4 13613 B10R0.97 CC(C)CSCCNC(=O)N 62a_100000210624_200000034859 [0,2,0,0,0,0|2,0,0]=4 13614 B10R0.97 CC(C)CSCCNC(=O)N 62a_200000034859_100000210760 [0,2,0,0,0,0|2,0,0]=4 13615 B10R0.97 CC(C)CSCCOC(=O)N 62a_100000210624_200011214921 [0,2,0,0,0,0|2,0,0]=4 13616 B10R0.97 CC(C)CSCCOC(=O)N 62a_200011214921_100000210760 [0,2,0,0,0,0|2,0,0]=4 13617 B10R0.97 CC(C)NCCCCC(=O)N 34a_100000696515_100000210206 [0,2,0,0,0,0|1,0,0]=3 13618 B10R0.97 CC(C)NCCOCC(=O)N 2230a_100138425928_100000076697 [0,2,0,0,0,0|2,0,0]=4 13619 B10R0.97 CC(C)NCCOCC(=O)N 34a_100000224655_100000187820 [0,2,0,0,0,0|2,0,0]=4 13620 B10R0.97 CC(C)NCCOCC(=O)N 34a_100138425928_100000076697 [0,2,0,0,0,0|2,0,0]=4 13621 B10R0.97 CC(C)NCCOCC(=O)O 269956a_100000700818_100000210206 [0,2,0,0,0,0|2,0,0]=4 13622 B10R0.97 CC(C)NCCOCC(=O)[O-] 34a_100000224655_100020667443 [0,2,0,0,0,0|2,0,0]=4 13623 B10R0.97 CC(C)OCCCCC(=O)N 34a_100012022536_100000210206 [0,2,0,0,0,0|1,0,0]=3 13624 B10R0.97 CC(C)OCCCCC(=O)N 7a_100012022536_100000210206 [0,2,0,0,0,0|1,0,0]=3 13625 B10R0.97 CC(C)OCCCC[N+](=O)[O-] 34a_200015379883_100000210206 [0,2,0,0,0,0|2,0,0]=4 13626 B10R0.97 CC(C)OCCCC[N+](=O)[O-] 7a_200015379883_100000210206 [0,2,0,0,0,0|2,0,0]=4 13627 B10R0.97 CC(C)OCCNCC(=O)N 2230a_100000701111_100000747473 [0,2,0,0,0,0|2,0,0]=4 13628 B10R0.97 CC(C)OCCNCC(=O)N 2230a_100000711301_100000211751 [0,2,0,0,0,0|2,0,0]=4 13629 B10R0.97 CC(C)OCCNCC(=O)N 34a_100000701111_100000187820 [0,2,0,0,0,0|2,0,0]=4 13630 B10R0.97 CC(C)OCCNCC(=O)O 269956a_100016091260_100000211751 [0,2,0,0,0,0|2,0,0]=4 13631 B10R0.97 CC(C)OCCNCC(=O)[O-] 34a_100000701111_100020667443 [0,2,0,0,0,0|2,0,0]=4 13632 B10R0.97 CC(C)OCCOCC(=O)N 34a_100000211219_100000187820 [0,2,0,0,0,0|2,0,0]=4 13633 B10R0.97 CC(C)OCCOCC(=O)N 34a_100000212225_100000076697 [0,2,0,0,0,0|2,0,0]=4 13634 B10R0.97 CC(C)OCCOCC(=O)N 7a_100000211219_100000187820 [0,2,0,0,0,0|2,0,0]=4 13635 B10R0.97 CC(C)OCCOCC(=O)[O-] 34a_100000211219_100020667443 [0,2,0,0,0,0|2,0,0]=4 13636 B10R0.97 CC(C)OCCSCC(=O)N 62a_100000211751_100000747473 [0,2,0,0,0,0|2,0,0]=4 13637 B10R0.97 CC(C)OCCSCC(=O)N 62a_100000747473_100000211751 [0,2,0,0,0,0|2,0,0]=4 13638 B10R0.97 CC(C)OCCSCC(=O)[O-] 62a_100000211751_100020667443 [0,2,0,0,0,0|2,0,0]=4 13639 B10R0.97 CC(C)OCCSCC(=O)[O-] 62a_100020667443_100000211751 [0,2,0,0,0,0|2,0,0]=4 13640 B10R0.97 CC(C)OCOCCC(=O)N 34a_100000757172_100000709892 [0,2,0,0,0,0|2,0,0]=4 13641 B10R0.97 CC(C)OCSCCC(=O)N 62a_100000709892_100000744528 [0,2,0,0,0,0|2,0,0]=4 13642 B10R0.97 CC(C)OCSCCC(=O)N 62a_100000744528_100000709892 [0,2,0,0,0,0|2,0,0]=4 13643 B10R0.97 CC(C)SCCCCN(C)C 62a_100000210206_100000690147 [0,2,0,0,0,0|2,0,0]=4 13644 B10R0.97 CC(C)SCCNCC(=O)N 2230a_100000711301_100000730970 [0,2,0,0,0,0|2,0,0]=4 13645 B10R0.97 CC(C)SCCNCC(=O)N 2230a_100000731138_100000747473 [0,2,0,0,0,0|2,0,0]=4 13646 B10R0.97 CC(C)SCCNCC(=O)N 34a_100000731138_100000187820 [0,2,0,0,0,0|2,0,0]=4 13647 B10R0.97 CC(C)SCCNCC(=O)O 269956a_100016091260_100000730970 [0,2,0,0,0,0|2,0,0]=4 13648 B10R0.97 CC(C)SCCNCC(=O)[O-] 34a_100000731138_100020667443 [0,2,0,0,0,0|2,0,0]=4 13649 B10R0.97 CC(C)SCCOCC(=O)N 34a_200011212901_100000187820 [0,2,0,0,0,0|2,0,0]=4 13650 B10R0.97 CC(C)SCCOCC(=O)N 62a_100000076697_100000210206 [0,2,0,0,0,0|2,0,0]=4 13651 B10R0.97 CC(C)SCCOCC(=O)N 62a_100000210206_100000076697 [0,2,0,0,0,0|2,0,0]=4 13652 B10R0.97 CC(C)SCCOCC(=O)N 7a_200011212901_100000187820 [0,2,0,0,0,0|2,0,0]=4 13653 B10R0.97 CC(C)SCCOCC(=O)[O-] 34a_200011212901_100020667443 [0,2,0,0,0,0|2,0,0]=4 13654 B10R0.97 CC(C)SCCSCC(=O)N 62a_100000730970_100000747473 [0,2,0,0,0,0|2,0,0]=4 13655 B10R0.97 CC(C)SCCSCC(=O)N 62a_100000747473_100000730970 [0,2,0,0,0,0|2,0,0]=4 13656 B10R0.97 CC(C)SCCSCC(=O)[O-] 62a_100000730970_100020667443 [0,2,0,0,0,0|2,0,0]=4 13657 B10R0.97 CC(C)SCCSCC(=O)[O-] 62a_100020667443_100000730970 [0,2,0,0,0,0|2,0,0]=4 13658 B10R0.97 CC(F)COCCCC(=O)N 34a_100015925927_100102525003 [0,2,0,0,0,0|1,0,0]=3 13659 B10R0.97 CC(F)COCCOC(=O)N 34a_100015925927_200011214921 [0,2,0,0,0,0|2,0,0]=4 13660 B10R0.97 CC(O)CCCNCC(=O)N 2230a_100000711301_200000718107 [0,2,0,0,0,0|1,0,0]=3 13661 B10R0.97 CC(O)CCCNCC(=O)O 269956a_100016091260_200000718107 [0,2,0,0,0,0|1,0,0]=3 13662 B10R0.97 CC(O)CCCNCC(C)O 2230a_100000210904_200000718107 [0,2,0,0,0,0|0,0,2]=4 13663 B10R0.97 CC(O)CCCNCC(C)O 34a_100000210904_200000718107 [0,2,0,0,0,0|0,0,2]=4 13664 B10R0.97 CC(O)CCCOCC(C)Br 34a_100012180447_200000718107 [0,2,0,0,0,0|0,0,2]=4 13665 B10R0.97 CC(O)CCCOCC(C)F 34a_100015925927_200000718107 [0,2,0,0,0,0|0,0,2]=4 13666 B10R0.97 CC(O)CCCOC[C@@H](C)Cl 34a_100016084084_200000718107 [0,2,0,0,0,0|0,0,2]=4 13667 B10R0.97 CC(O)CCCOC[C@@H](C)N 34a_100000737577_200000718107 [0,2,0,0,0,0|0,0,2]=4 13668 B10R0.97 CC(O)CCCSCC(=O)N 62a_100000747473_200000718107 [0,2,0,0,0,0|1,0,0]=3 13669 B10R0.97 CC(O)CCCSCC(=O)N 62a_200000718107_100000747473 [0,2,0,0,0,0|1,0,0]=3 13670 B10R0.97 CC(O)CCCSCC(=O)[O-] 62a_100020667443_200000718107 [0,2,0,0,0,0|1,0,0]=3 13671 B10R0.97 CC(O)CCCSCC(=O)[O-] 62a_200000718107_100020667443 [0,2,0,0,0,0|1,0,0]=3 13672 B10R0.97 CC(O)CCCSCC(C)O 62a_100011218427_200000718107 [0,2,0,0,0,0|0,0,2]=4 13673 B10R0.97 CC(O)CCCSCC(C)O 62a_200000718107_100011218427 [0,2,0,0,0,0|0,0,2]=4 13674 B10R0.97 CC(O)CCCSC[C@@H](C)O 62a_100009817552_200000718107 [0,2,0,0,0,0|0,0,2]=4 13675 B10R0.97 CC(O)CCCSC[C@@H](C)O 62a_200000718107_100009817552 [0,2,0,0,0,0|0,0,2]=4 13676 B10R0.97 CC(O)CCCSC[N+](=O)[O-] 62a_200000718107_100000761209 [0,2,0,0,0,0|2,0,0]=4 13677 B10R0.97 CC(O)CCNCCC(=O)N 2230a_200000755665_100000744528 [0,2,0,0,0,0|1,0,0]=3 13678 B10R0.97 CC(O)CCNCCC(C)O 2230a_200000755665_100012276601 [0,2,0,0,0,0|0,0,2]=4 13679 B10R0.97 CC(O)CCNOCC(=O)O 269956a_100000106656_100012276601 [0,2,0,0,0,0|2,0,0]=4 13680 B10R0.97 CC(O)CCOCCC(=O)N 34a_100000757172_100012276601 [0,2,0,0,0,0|1,0,0]=3 13681 B10R0.97 CC(O)CCOCCC(=O)N 7a_100000757172_100012276601 [0,2,0,0,0,0|1,0,0]=3 13682 B10R0.97 CC(O)CCOCCC(C)Br 34a_100009893172_100012276601 [0,2,0,0,0,0|0,0,2]=4 13683 B10R0.97 CC(O)CCOCC[C@@H](C)N 34a_100000706166_100012276601 [0,2,0,0,0,0|0,0,2]=4 13684 B10R0.97 CC(O)CCSCCC(=O)N 62a_100000744528_100012276601 [0,2,0,0,0,0|1,0,0]=3 13685 B10R0.97 CC(O)CCSCCC(=O)N 62a_100012276601_100000744528 [0,2,0,0,0,0|1,0,0]=3 13686 B10R0.97 CC(O)CCSCCC(C)O 62a_100012276601_100012276601 [0,2,0,0,0,0|0,0,2]=4 13687 B10R0.97 CC(O)CCSCCN(C)C 62a_100012276601_100000755713 [0,2,0,0,0,0|2,0,0]=4 13688 B10R0.97 CC(O)CNCCCC(=O)N 34a_100000210904_100102525003 [0,2,0,0,0,0|1,0,0]=3 13689 B10R0.97 CC(O)CNCCCC(=O)N 34a_100000739312_100011218427 [0,2,0,0,0,0|1,0,0]=3 13690 B10R0.97 CC(O)CNCCCS(=O)C 2230a_200000753449_100011218427 [0,2,0,0,0,0|1,0,0]=3 13691 B10R0.97 CC(O)CNCCNC(=O)N 2230a_100000210904_200000034859 [0,2,0,0,0,0|2,0,0]=4 13692 B10R0.97 CC(O)CNCCNC(=O)N 34a_100020590234_100011218427 [0,2,0,0,0,0|2,0,0]=4 13693 B10R0.97 CC(O)CNCCOC(=O)N 34a_100000210904_200011214921 [0,2,0,0,0,0|2,0,0]=4 13694 B10R0.97 CC(O)COCCC[N+](=O)[O-] 34a_200000037920_100011218427 [0,2,0,0,0,0|2,0,0]=4 13695 B10R0.97 CC(O)COCCNC(=O)N 34a_100000181757_100011218427 [0,2,0,0,0,0|2,0,0]=4 13696 B10R0.97 CC(O)COCCOC(=O)N 7a_100000766696_100011218427 [0,2,0,0,0,0|2,0,0]=4 13697 B10R0.97 CC(O)CSCCCC(=O)N 62a_100011218427_100102525003 [0,2,0,0,0,0|1,0,0]=3 13698 B10R0.97 CC(O)CSCCCC(=O)N 62a_100102525003_100011218427 [0,2,0,0,0,0|1,0,0]=3 13699 B10R0.97 CC(O)CSCCCN(C)C 62a_100011218427_100000757444 [0,2,0,0,0,0|2,0,0]=4 13700 B10R0.97 CC(O)CSCCNC(=O)N 62a_100011218427_200000034859 [0,2,0,0,0,0|2,0,0]=4 13701 B10R0.97 CC(O)CSCCNC(=O)N 62a_200000034859_100011218427 [0,2,0,0,0,0|2,0,0]=4 13702 B10R0.97 CC(O)CSCCOC(=O)N 62a_100011218427_200011214921 [0,2,0,0,0,0|2,0,0]=4 13703 B10R0.97 CC(O)CSCCOC(=O)N 62a_200011214921_100011218427 [0,2,0,0,0,0|2,0,0]=4 13704 B10R0.97 CN(C)CCCCCC(=O)N 2230a_100102631434_100009817443 [0,2,0,0,0,0|1,0,0]=3 13705 B10R0.97 CN(C)CCCCCC(=O)N 269982a_100102631434_100009817443 [0,2,0,0,0,0|1,0,0]=3 13706 B10R0.97 CN(C)CCCNCC(=O)O 269956a_100016091260_100000757444 [0,2,0,0,0,0|2,0,0]=4 13707 B10R0.97 CN(C)CCCSCC(=O)N 62a_100000747473_100000757444 [0,2,0,0,0,0|2,0,0]=4 13708 B10R0.97 CN(C)CCCSCC(=O)[O-] 62a_100020667443_100000757444 [0,2,0,0,0,0|2,0,0]=4 13709 B10R0.97 CN(C)CCOCCC(=O)N 7a_100000757172_100000755713 [0,2,0,0,0,0|2,0,0]=4 13710 B10R0.97 CN(C)CCSCCC(=O)N 62a_100000744528_100000755713 [0,2,0,0,0,0|2,0,0]=4 13711 B10R0.97 CS(=O)CCCNCC(=O)N 2230a_200000753449_100000747473 [0,2,0,0,0,0|2,0,0]=4 13712 B10R0.97 CS(=O)CCCNCC(F)F 2230a_200000753449_100011934356 [0,2,0,0,0,0|2,0,0]=4 13713 B10R0.97 C[C@@H](Cl)COCCCC(=O)N 34a_100016084084_100102525003 [0,2,0,0,0,0|1,0,0]=3 13714 B10R0.97 C[C@@H](Cl)COCCOC(=O)N 34a_100016084084_200011214921 [0,2,0,0,0,0|2,0,0]=4 13715 B10R0.97 C[C@@H](N)CCOCCC(=O)N 34a_100000706166_100000731001 [0,2,0,0,0,0|1,0,0]=3 13716 B10R0.97 C[C@@H](N)COCCCC(=O)N 34a_100000737577_100102525003 [0,2,0,0,0,0|1,0,0]=3 13717 B10R0.97 C[C@@H](N)COCCOC(=O)N 34a_100000737577_200011214921 [0,2,0,0,0,0|2,0,0]=4 13718 B10R0.97 C[C@@H](O)CNCCCC(=O)N 34a_100000739312_100009817552 [0,2,0,0,0,0|1,0,0]=3 13719 B10R0.97 C[C@@H](O)CNCCCS(=O)C 2230a_200000753449_100009817552 [0,2,0,0,0,0|1,0,0]=3 13720 B10R0.97 C[C@@H](O)CNCCNC(=O)N 34a_100020590234_100009817552 [0,2,0,0,0,0|2,0,0]=4 13721 B10R0.97 C[C@@H](O)COCCC[N+](=O)[O-] 34a_200000037920_100009817552 [0,2,0,0,0,0|2,0,0]=4 13722 B10R0.97 C[C@@H](O)COCCNC(=O)N 34a_100000181757_100009817552 [0,2,0,0,0,0|2,0,0]=4 13723 B10R0.97 C[C@@H](O)COCCOC(=O)N 7a_100000766696_100009817552 [0,2,0,0,0,0|2,0,0]=4 13724 B10R0.97 C[C@@H](O)CSCCCC(=O)N 62a_100009817552_100102525003 [0,2,0,0,0,0|1,0,0]=3 13725 B10R0.97 C[C@@H](O)CSCCCC(=O)N 62a_100102525003_100009817552 [0,2,0,0,0,0|1,0,0]=3 13726 B10R0.97 C[C@@H](O)CSCCCN(C)C 62a_100009817552_100000757444 [0,2,0,0,0,0|2,0,0]=4 13727 B10R0.97 C[C@@H](O)CSCCNC(=O)N 62a_100009817552_200000034859 [0,2,0,0,0,0|2,0,0]=4 13728 B10R0.97 C[C@@H](O)CSCCNC(=O)N 62a_200000034859_100009817552 [0,2,0,0,0,0|2,0,0]=4 13729 B10R0.97 C[C@@H](O)CSCCOC(=O)N 62a_100009817552_200011214921 [0,2,0,0,0,0|2,0,0]=4 13730 B10R0.97 C[C@@H](O)CSCCOC(=O)N 62a_200011214921_100009817552 [0,2,0,0,0,0|2,0,0]=4 13731 B10R0.97 NC(=O)CCCNCC(F)F 34a_100000739312_100011934356 [0,2,0,0,0,0|2,0,0]=4 13732 B10R0.97 NC(=O)CCCNCC(F)F 34a_100000765723_100102525003 [0,2,0,0,0,0|2,0,0]=4 13733 B10R0.97 NC(=O)CCCOCC(F)F 34a_100000743014_100102525003 [0,2,0,0,0,0|2,0,0]=4 13734 B10R0.97 NC(=O)CCCSCC(F)F 62a_100011934356_100102525003 [0,2,0,0,0,0|2,0,0]=4 13735 B10R0.97 NC(=O)CCCSCC(F)F 62a_100102525003_100011934356 [0,2,0,0,0,0|2,0,0]=4 13736 B10R0.97 NC(=O)CCOCCC(F)F 34a_100103093639_100000731001 [0,2,0,0,0,0|2,0,0]=4 13737 B10R0.97 [13CH3]C(=O)CCCCC[N+](=O)[O-] 1458a_100000043470_200025704644 [0,2,0,0,0,0|1,0,0]=3 13738 B10R0.18 C=CC(=O)NC(C)CCCC 1626a_100000126638_100000185746 [0,2,0,0,0,0|1,0,1]=4 13739 B10R0.18 C=CC(=O)NC(C)CCCC 240690a_100000126638_200121576911 [0,2,0,0,0,0|1,0,1]=4 13740 B10R0.18 CCC(=O)CC(=O)CCOC 1458a_100000749529_100000747405 [0,2,0,0,0,0|1,0,1]=4 13741 B10R0.18 CCC(=O)CC(=O)CCSC 1458a_100000174002_100000747405 [0,2,0,0,0,0|1,0,1]=4 13742 B10R0.18 CCC(=O)CN(C)CCCO 269982a_100000213112_100000747405 [0,2,0,0,0,0|2,0,0]=4 13743 B10R0.18 CCC(=O)CN(C)CCOC 269982a_100000743101_100000747405 [0,2,0,0,0,0|2,0,0]=4 13744 B10R0.18 CCC(=O)CN(C)CCSC 269982a_100000686725_100000747405 [0,2,0,0,0,0|2,0,0]=4 13745 B10R0.18 CCCCC(=O)CC(=O)CC 1458a_100000210183_100000747405 [0,2,0,0,0,0|0,0,1]=3 13746 B10R0.18 CCCCC(=O)CC(=O)NC 1458a_100000210183_100000183359 [0,2,0,0,0,0|0,0,1]=3 13747 B10R0.18 CCCCC(=O)CC(=O)OC 1458a_100000210183_100000747449 [0,2,0,0,0,0|0,0,1]=3 13748 B10R0.18 CCCCC(=O)CC(=O)OC 1458a_100000211351_100000210211 [0,2,0,0,0,0|0,0,1]=3 13749 B10R0.18 CCCCC(C)NC(=O)CC 11a_100000126638_100000210414 [0,2,0,0,0,0|1,0,0]=3 13750 B10R0.18 CCCCC(C)NC(=O)CC 1626a_100000126638_100000210414 [0,2,0,0,0,0|1,0,0]=3 13751 B10R0.18 CCCCC(C)NC(=O)CC 240690a_100000126638_100000210414 [0,2,0,0,0,0|1,0,0]=3 13752 B10R0.18 CCCCC(C)NC(=O)CC 527a_100000126638_100000210414 [0,2,0,0,0,0|1,0,0]=3 13753 B10R0.18 CCCCC(C)NC(=O)CO 240690a_100000126638_100000210174 [0,2,0,0,0,0|1,0,0]=3 13754 B10R0.18 CCCCC(C)NC(=O)CO 527a_100000126638_100000210174 [0,2,0,0,0,0|1,0,0]=3 13755 B10R0.18 CCCCC(C)NC(=O)NC 2708a_100000126638_106832991635 [0,2,0,0,0,0|1,0,0]=3 13756 B10R0.18 CCCCC(C)NC(=O)NC 2708a_100102657272_100000126638 [0,2,0,0,0,0|1,0,0]=3 13757 B10R0.18 CCCCC(C)NC(=O)NC 273464a_100000126638_100102657272 [0,2,0,0,0,0|1,0,0]=3 13758 B10R0.18 CCCCC(C)NC(=O)NC 273464a_100102657272_100000126638 [0,2,0,0,0,0|1,0,0]=3 13759 B10R0.18 CCCCC(C)NC(=O)NC 512a_100000126638_100102657272 [0,2,0,0,0,0|1,0,0]=3 13760 B10R0.18 CCCCC(C)NC(=O)NC 512a_106832991638_100000126638 [0,2,0,0,0,0|1,0,0]=3 13761 B10R0.18 CCCCN(C)CC(=O)CC 269982a_100000207549_100000747405 [0,2,0,0,0,0|1,0,0]=3 13762 B10R0.18 CCCCN(C)CC(=O)NC 2230a_100000189611_100000210211 [0,2,0,0,0,0|1,0,0]=3 13763 B10R0.18 CCCCN(C)CC(=O)NC 2230a_100000207549_100000183359 [0,2,0,0,0,0|1,0,0]=3 13764 B10R0.18 CCCCN(C)CC(=O)NC 269982a_100000207549_100000183359 [0,2,0,0,0,0|1,0,0]=3 13765 B10R0.18 CCCCN(C)CC(=O)OC 2230a_100000198492_100000210211 [0,2,0,0,0,0|1,0,0]=3 13766 B10R0.18 CCCCN(C)CC(=O)OC 2230a_100000207549_100000747449 [0,2,0,0,0,0|1,0,0]=3 13767 B10R0.18 CCCCN(C)CC(=O)OC 269982a_100000207549_100000747449 [0,2,0,0,0,0|1,0,0]=3 13768 B10R0.18 CCCNC(=O)CC(=O)CC 1458a_100000210414_100000183358 [0,2,0,0,0,0|1,0,1]=4 13769 B10R0.18 CCCNC(=O)CC(=O)CO 1458a_100000210174_100000183358 [0,2,0,0,0,0|1,0,1]=4 13770 B10R0.18 CCCNC(=O)CC(=O)OC 240690a_100020643023_100000211351 [0,2,0,0,0,0|1,0,1]=4 13771 B10R0.18 CCCOC(=O)CC(=O)CC 1458a_100000210414_200011215008 [0,2,0,0,0,0|1,0,1]=4 13772 B10R0.18 CCCOC(=O)CC(=O)CO 1458a_100000210174_200011215008 [0,2,0,0,0,0|1,0,1]=4 13773 B10R0.18 CCCOC(C)CC(=O)OC 34a_100000210258_100009817358 [0,2,0,0,0,0|1,0,0]=3 13774 B10R0.18 CCCSC(C)CC(=O)OC 62a_100000210303_100009817358 [0,2,0,0,0,0|1,0,0]=3 13775 B10R0.18 CCCSC(C)CC(=O)OC 62a_100009817358_100000210303 [0,2,0,0,0,0|1,0,0]=3 13776 B10R0.18 CCOCC(=O)CC(=O)CC 1458a_100000211967_100000747405 [0,2,0,0,0,0|1,0,1]=4 13777 B10R0.18 CCOCC(=O)CC(=O)NC 1458a_100000211967_100000183359 [0,2,0,0,0,0|1,0,1]=4 13778 B10R0.18 CCOCC(=O)CC(=O)OC 1458a_100000211967_100000747449 [0,2,0,0,0,0|1,0,1]=4 13779 B10R0.18 CCOC[C@H](O)CC(=O)OC 34a_100121572206_100000754131 [0,2,0,0,0,0|1,0,0]=3 13780 B10R0.18 CCSCC(=O)CC(=O)CC 1458a_100000230394_100000747405 [0,2,0,0,0,0|1,0,1]=4 13781 B10R0.18 CCSCC(=O)CC(=O)NC 1458a_100000230394_100000183359 [0,2,0,0,0,0|1,0,1]=4 13782 B10R0.18 CCSCC(=O)CC(=O)OC 1458a_100000230394_100000747449 [0,2,0,0,0,0|1,0,1]=4 13783 B10R0.18 CCSCC(=O)CC(=O)OC 62a_100000210202_100000210525 [0,2,0,0,0,0|1,0,1]=4 13784 B10R0.18 CCSCC(=O)CC(=O)OC 62a_100000210525_100000210202 [0,2,0,0,0,0|1,0,1]=4 13785 B10R0.18 CCSC[C@H](O)CC(=O)OC 62a_100000210202_100000754131 [0,2,0,0,0,0|1,0,0]=3 13786 B10R0.18 CCSC[C@H](O)CC(=O)OC 62a_100000754131_100000210202 [0,2,0,0,0,0|1,0,0]=3 13787 B10R0.18 CNC(=O)CC(=O)CCOC 1458a_100000749529_100000183359 [0,2,0,0,0,0|1,0,1]=4 13788 B10R0.18 CNC(=O)CC(=O)CCSC 1458a_100000174002_100000183359 [0,2,0,0,0,0|1,0,1]=4 13789 B10R0.18 CNC(=O)CN(C)CCCF 2230a_100000189611_100011934791 [0,2,0,0,0,0|2,0,0]=4 13790 B10R0.18 CNC(=O)CN(C)CCCO 2230a_100000189611_100000230001 [0,2,0,0,0,0|2,0,0]=4 13791 B10R0.18 CNC(=O)CN(C)CCCO 2230a_100000213112_100000183359 [0,2,0,0,0,0|2,0,0]=4 13792 B10R0.18 CNC(=O)CN(C)CCCO 269982a_100000213112_100000183359 [0,2,0,0,0,0|2,0,0]=4 13793 B10R0.18 CNC(=O)CN(C)CCOC 2230a_100000189611_100011201679 [0,2,0,0,0,0|2,0,0]=4 13794 B10R0.18 CNC(=O)CN(C)CCOC 2230a_100000743101_100000183359 [0,2,0,0,0,0|2,0,0]=4 13795 B10R0.18 CNC(=O)CN(C)CCOC 240690a_100102657272_100015184299 [0,2,0,0,0,0|2,0,0]=4 13796 B10R0.18 CNC(=O)CN(C)CCOC 269982a_100000743101_100000183359 [0,2,0,0,0,0|2,0,0]=4 13797 B10R0.18 CNC(=O)CN(C)CCOC 527a_100102657272_100015184299 [0,2,0,0,0,0|2,0,0]=4 13798 B10R0.18 CNC(=O)CN(C)CCSC 2230a_100000189611_100000751147 [0,2,0,0,0,0|2,0,0]=4 13799 B10R0.18 CNC(=O)CN(C)CCSC 2230a_100000686725_100000183359 [0,2,0,0,0,0|2,0,0]=4 13800 B10R0.18 CNC(=O)CN(C)CCSC 269982a_100000686725_100000183359 [0,2,0,0,0,0|2,0,0]=4 13801 B10R0.18 COC(=O)CC(=O)CCCF 1458a_100000211351_100011934791 [0,2,0,0,0,0|1,0,1]=4 13802 B10R0.18 COC(=O)CC(=O)CCCO 1458a_100000211351_100011215043 [0,2,0,0,0,0|1,0,1]=4 13803 B10R0.18 COC(=O)CC(=O)CCSC 1458a_100000174002_100000747449 [0,2,0,0,0,0|1,0,1]=4 13804 B10R0.18 COC(=O)CC(=O)CCSC 1458a_100000211351_100000751147 [0,2,0,0,0,0|1,0,1]=4 13805 B10R0.18 COC(=O)CC(C)NCCF 34a_100000724931_100009817358 [0,2,0,0,0,0|2,0,0]=4 13806 B10R0.18 COC(=O)CC(C)NCCO 2230a_100016997473_100009817358 [0,2,0,0,0,0|2,0,0]=4 13807 B10R0.18 COC(=O)CC(C)NCCO 34a_100016990907_100009817358 [0,2,0,0,0,0|2,0,0]=4 13808 B10R0.18 COC(=O)CC(C)OCCBr 34a_100000211926_100009817358 [0,2,0,0,0,0|2,0,0]=4 13809 B10R0.18 COC(=O)CC(C)OCCN 34a_100000210304_100009817358 [0,2,0,0,0,0|2,0,0]=4 13810 B10R0.18 COC(=O)CC(C)SCCF 62a_100009817358_100011217306 [0,2,0,0,0,0|2,0,0]=4 13811 B10R0.18 COC(=O)CC(C)SCCF 62a_100011217306_100009817358 [0,2,0,0,0,0|2,0,0]=4 13812 B10R0.18 COC(=O)CC(C)SCCO 62a_100000211926_100009817358 [0,2,0,0,0,0|2,0,0]=4 13813 B10R0.18 COC(=O)CC(C)SCCO 62a_100009817358_100000211926 [0,2,0,0,0,0|2,0,0]=4 13814 B10R0.18 COC(=O)CC(C)SCSC 62a_100009817358_100011218213 [0,2,0,0,0,0|2,0,0]=4 13815 B10R0.18 COC(=O)CC(C)SCSC 62a_100011218213_100009817358 [0,2,0,0,0,0|2,0,0]=4 13816 B10R0.18 COC(=O)CN(C)CCCF 2230a_100000198492_100011934791 [0,2,0,0,0,0|2,0,0]=4 13817 B10R0.18 COC(=O)CN(C)CCCO 2230a_100000198492_100000230001 [0,2,0,0,0,0|2,0,0]=4 13818 B10R0.18 COC(=O)CN(C)CCCO 2230a_100000213112_100000747449 [0,2,0,0,0,0|2,0,0]=4 13819 B10R0.18 COC(=O)CN(C)CCCO 269982a_100000213112_100000747449 [0,2,0,0,0,0|2,0,0]=4 13820 B10R0.18 COC(=O)CN(C)CCSC 2230a_100000198492_100000751147 [0,2,0,0,0,0|2,0,0]=4 13821 B10R0.18 COC(=O)CN(C)CCSC 2230a_100000686725_100000747449 [0,2,0,0,0,0|2,0,0]=4 13822 B10R0.18 COC(=O)CN(C)CCSC 269982a_100000686725_100000747449 [0,2,0,0,0,0|2,0,0]=4 13823 B10R0.18 COC(=O)C[C@@H](O)CSCF 62a_100000754131_100015361967 [0,2,0,0,0,0|2,0,0]=4 13824 B10R0.18 COC(=O)C[C@@H](O)CSCF 62a_100015361967_100000754131 [0,2,0,0,0,0|2,0,0]=4 13825 B10R0.18 COCCC(=O)CC(=O)OC 1458a_100000211351_100000233755 [0,2,0,0,0,0|1,0,1]=4 13826 B10R0.18 COCCC(=O)CC(=O)OC 1458a_100000749529_100000747449 [0,2,0,0,0,0|1,0,1]=4 13827 B10R0.18 COCCN(C)CC(=O)OC 2230a_100000198492_100011201679 [0,2,0,0,0,0|2,0,0]=4 13828 B10R0.18 COCCN(C)CC(=O)OC 2230a_100000743101_100000747449 [0,2,0,0,0,0|2,0,0]=4 13829 B10R0.18 COCCN(C)CC(=O)OC 269982a_100000743101_100000747449 [0,2,0,0,0,0|2,0,0]=4 13830 B10R0.18 COCSC(C)CC(=O)OC 62a_100000766300_100009817358 [0,2,0,0,0,0|2,0,0]=4 13831 B10R0.18 COCSC(C)CC(=O)OC 62a_100009817358_100000766300 [0,2,0,0,0,0|2,0,0]=4 13832 B10R0.28 CCCCC(=O)CS(=O)(=O)C 1458a_100000744497_100000210211 [0,2,0,0,0,0|1,0,1]=4 13833 B10R0.28 CCCCC(C)NS(=O)(=O)C 40a_100000126638_100000738038 [0,2,0,0,0,0|2,0,0]=4 13834 B10R0.32 C=C(C)CC(=O)C(C)CCC 1458a_100000210906_100000748629 [0,2,0,0,0,0|1,0,1]=4 13835 B10R0.32 C=C(C)CC(=O)[C@@H](O)CCC 1458a_100009822183_100000748629 [0,2,0,0,0,0|1,0,1]=4 13836 B10R0.32 C=C(C)CN(C)C(C)CCC 2230a_100000225649_100000766640 [0,2,0,0,0,0|2,0,0]=4 13837 B10R0.32 C=C(C)CN(C)C(C)CCC 269982a_100000225649_100000766640 [0,2,0,0,0,0|2,0,0]=4 13838 B10R0.32 C=C(C)CN(C)C(C)CCC 270004a_100000225649_100000211909 [0,2,0,0,0,0|2,0,0]=4 13839 B10R0.32 CCCC(=O)C(C)OC(=O)C 1458a_100000211992_100009818208 [0,2,0,0,0,0|1,0,1]=4 13840 B10R0.32 CCCC(=O)[C@@H](C)NC(=O)C 1458a_100011504603_100000210303 [0,2,0,0,0,0|1,0,1]=4 13841 B10R0.32 CCCC(=O)[C@H](C)OC(=O)C 1458a_100009816467_100000210303 [0,2,0,0,0,0|1,0,1]=4 13842 B10R0.32 CCCC(C)C(=O)CC(=O)N 1458a_100000210906_100000187820 [0,2,0,0,0,0|1,0,1]=4 13843 B10R0.32 CCCC(C)C(=O)CC(=O)N 1458a_100134613110_100000766640 [0,2,0,0,0,0|1,0,1]=4 13844 B10R0.32 CCCC(C)C(=O)CC(=O)[O-] 1458a_100000210906_100020667443 [0,2,0,0,0,0|1,0,1]=4 13845 B10R0.32 CCCC(C)N(C)CC(=O)N 2230a_100000739694_100000766640 [0,2,0,0,0,0|2,0,0]=4 13846 B10R0.32 CCCC(C)N(C)CC(=O)N 270004a_100000739694_100000211909 [0,2,0,0,0,0|2,0,0]=4 13847 B10R0.32 CCCC(C)N(C)CC(=O)O 269956a_100000746989_100000766640 [0,2,0,0,0,0|2,0,0]=4 13848 B10R0.32 CCCN(C)C(C)OC(=O)C 269982a_100000747261_100009818208 [0,2,0,0,0,0|2,0,0]=4 13849 B10R0.32 CCC[C@H](O)C(=O)CC(=O)N 1458a_100009822183_100000187820 [0,2,0,0,0,0|1,0,1]=4 13850 B10R0.32 CCC[C@H](O)C(=O)CC(=O)[O-] 1458a_100009822183_100020667443 [0,2,0,0,0,0|1,0,1]=4 13851 B10R0.81 C=C(C)C(=O)C(C)CCCC 1458a_100000185857_200011215066 [0,2,0,0,0,0|1,0,1]=4 13852 B10R0.81 CC(=O)C(C)N(C)CCCO 2230a_100000213112_100009814033 [0,2,0,0,0,0|2,0,0]=4 13853 B10R0.81 CC(=O)C(C)N(C)CCCO 269982a_100000213112_100009814033 [0,2,0,0,0,0|2,0,0]=4 13854 B10R0.81 CCCCC(=O)C(C)C(=O)C 1458a_100000210183_100000179758 [0,2,0,0,0,0|0,0,1]=3 13855 B10R0.81 CCCCC(=O)C(C)C(=O)N 1458a_100000210183_100000702099 [0,2,0,0,0,0|1,0,1]=4 13856 B10R0.81 CCCCC(=O)C(F)C(=O)N 1458a_100000210183_100009813875 [0,2,0,0,0,0|1,0,1]=4 13857 B10R0.81 CCCCC(=O)C(F)C(=O)[O-] 1458a_100000210183_100020610796 [0,2,0,0,0,0|1,0,1]=4 13858 B10R0.81 CCCCN(C)C(C)C(=O)C 2230a_100000207549_100009814033 [0,2,0,0,0,0|1,0,0]=3 13859 B10R0.81 CCCCN(C)C(C)C(=O)C 269982a_100000207549_100009814033 [0,2,0,0,0,0|1,0,0]=3 13860 B10R0.81 CCCCN(C)C(C)C(=O)N 2230a_100000207549_100000702099 [0,2,0,0,0,0|2,0,0]=4 13861 B10R0.81 CCCCN(C)C(C)C(=O)N 269982a_100000207549_100000184083 [0,2,0,0,0,0|2,0,0]=4 13862 B10R0.81 CCCCN(C)C(C)C(=O)O 269956a_100000749554_100000210211 [0,2,0,0,0,0|2,0,0]=4 13863 B10R0.81 CCCCN(C)C(F)C(=O)N 2230a_100000207549_100009813875 [0,2,0,0,0,0|2,0,0]=4 13864 B10R0.81 CCCCN(C)C(F)C(=O)N 269982a_100000207549_100009813875 [0,2,0,0,0,0|2,0,0]=4 13865 B10R0.81 CCCNC(=O)C(C)C(=O)C 1458a_100000070787_100000230305 [0,2,0,0,0,0|1,0,1]=4 13866 B10R0.81 CCCOC(=O)C(C)C(=O)C 1458a_100000070787_100000760410 [0,2,0,0,0,0|1,0,1]=4 13867 B10R0.81 CCCO[C@H](C)[C@H](N)C(=O)N 34a_100000003557_100000210303 [0,2,0,0,0,0|2,0,0]=4 13868 B10R0.81 CCOCC(=O)C(C)C(=O)C 1458a_100000211967_100000179758 [0,2,0,0,0,0|1,0,1]=4 13869 B10R0.81 CCSCC(=O)C(C)C(=O)C 1458a_100000230394_100000179758 [0,2,0,0,0,0|1,0,1]=4 13870 B10R0.81 COCCC(=O)C(C)C(=O)C 1458a_100000749529_100000179758 [0,2,0,0,0,0|1,0,1]=4 13871 B10R0.81 COCCN(C)C(C)C(=O)C 2230a_100000743101_100009814033 [0,2,0,0,0,0|2,0,0]=4 13872 B10R0.81 COCCN(C)C(C)C(=O)C 269982a_100000743101_100009814033 [0,2,0,0,0,0|2,0,0]=4 13873 B10R0.81 CSCCC(=O)C(C)C(=O)C 1458a_100000174002_100000179758 [0,2,0,0,0,0|1,0,1]=4 13874 B10R0.81 CSCCN(C)C(C)C(=O)C 2230a_100000686725_100009814033 [0,2,0,0,0,0|2,0,0]=4 13875 B10R0.81 CSCCN(C)C(C)C(=O)C 269982a_100000686725_100009814033 [0,2,0,0,0,0|2,0,0]=4 13876 B10R0.87 C=C(C)CN(CC)CCCC 2230a_100000207695_100000748629 [0,2,0,0,0,0|2,0,0]=4 13877 B10R0.87 C=C(C)CN(CC)CCCC 2230a_100000211296_100000210211 [0,2,0,0,0,0|2,0,0]=4 13878 B10R0.87 C=C(C)CN(CC)CCCC 269982a_100000207695_100000748629 [0,2,0,0,0,0|2,0,0]=4 13879 B10R0.87 C=C(C)CN(CC)CCCC 269982a_100000211296_100000210211 [0,2,0,0,0,0|2,0,0]=4 13880 B10R0.87 CCCCC(CC)CC(=O)C 1458a_100000070787_100000211942 [0,2,0,0,0,0|0,0,0]=2 13881 B10R0.87 CCCCC(CC)CN(C)C 2230a_100102631434_100000211942 [0,2,0,0,0,0|2,0,0]=4 13882 B10R0.87 CCCCC(CC)CN(C)C 269982a_100102631434_100000211942 [0,2,0,0,0,0|2,0,0]=4 13883 B10R0.87 CCCCC(CC)CN(C)C 270004a_100102631434_100011219736 [0,2,0,0,0,0|2,0,0]=4 13884 B10R0.87 CCCCN(CC)CC(=O)N 2230a_100000207695_100000747473 [0,2,0,0,0,0|2,0,0]=4 13885 B10R0.87 CCCCN(CC)CC(=O)N 269982a_100000207695_100000187820 [0,2,0,0,0,0|2,0,0]=4 13886 B10R0.87 CCCCN(CC)CC(=O)O 269956a_100000746405_100000210211 [0,2,0,0,0,0|2,0,0]=4 13887 B10R0.87 CCCCN(CC)CC(=O)[O-] 269982a_100000207695_100020667443 [0,2,0,0,0,0|2,0,0]=4 13888 B10R0.87 CCCCN(CO)CC(=O)[O-] 269956a_100016989150_100000210211 [0,2,0,0,0,0|2,0,0]=4 13889 B10R0.87 CCCC[C@@H](CO)NC(=O)C 240690a_100011934283_100015343762 [0,2,0,0,0,0|1,0,0]=3 13890 B10R0.87 CCCC[C@@H](CO)NC(=O)C 527a_100011934283_100103153847 [0,2,0,0,0,0|1,0,0]=3 13891 B10R0.87 CCCN[C@H](CC)CC(=O)O 269956a_100016995926_100000210207 [0,2,0,0,0,0|2,0,0]=4 13892 B10R0.87 CCCN[C@H](CO)CC(=O)O 269956a_100009816507_100000210207 [0,2,0,0,0,0|2,0,0]=4 13893 B10R0.87 CSCC[C@@H](CO)NC(=O)C 240690a_100011827619_100015343762 [0,2,0,0,0,0|2,0,0]=4 13894 B10R0.87 CSCC[C@@H](CO)NC(=O)C 527a_100011827619_100103153847 [0,2,0,0,0,0|2,0,0]=4 13895 B10R0.96 C=C(C)CC(=O)CCC(C)C 1458a_100000181311_100000748629 [0,2,0,0,0,0|1,0,1]=4 13896 B10R0.96 C=C(C)CCC(=O)CC(C)C 1458a_100000210554_100000730704 [0,2,0,0,0,0|1,0,1]=4 13897 B10R0.96 C=C(C)CCC(=O)CC(C)C 1458a_200000688413_100000210624 [0,2,0,0,0,0|1,0,1]=4 13898 B10R0.96 C=C(C)CCC(=O)CC(C)O 1458a_200000688413_100011218427 [0,2,0,0,0,0|1,0,1]=4 13899 B10R0.96 C=C(C)CCC(=O)C[C@@H](C)O 1458a_100011933948_100000730704 [0,2,0,0,0,0|1,0,1]=4 13900 B10R0.96 C=C(C)CCN(C)CC(C)C 2230a_100000747067_100000730704 [0,2,0,0,0,0|2,0,0]=4 13901 B10R0.96 C=C(C)CCN(C)CC(C)C 269982a_100000747067_100000730704 [0,2,0,0,0,0|2,0,0]=4 13902 B10R0.96 C=C(C)CCN(C)CC(C)O 2230a_100000227577_100000730704 [0,2,0,0,0,0|2,0,0]=4 13903 B10R0.96 C=C(C)CCN(C)CC(C)O 269982a_100000227577_100000730704 [0,2,0,0,0,0|2,0,0]=4 13904 B10R0.96 C=C(C)CN(C)CCC(=O)C 269982a_100000225649_100000053229 [0,2,0,0,0,0|1,0,1]=4 13905 B10R0.96 C=C(C)CN(C)CCC(C)C 2230a_100000225649_100000210312 [0,2,0,0,0,0|2,0,0]=4 13906 B10R0.96 C=C(C)CN(C)CCC(C)C 2230a_100000742789_100000748629 [0,2,0,0,0,0|2,0,0]=4 13907 B10R0.96 C=C(C)CN(C)CCC(C)C 269982a_100000225649_100000210312 [0,2,0,0,0,0|2,0,0]=4 13908 B10R0.96 C=C(C)CN(C)CCC(C)C 269982a_100000742789_100000748629 [0,2,0,0,0,0|2,0,0]=4 13909 B10R0.96 C=C(C)CN(C)CCC(C)O 2230a_100000225649_100012276601 [0,2,0,0,0,0|2,0,0]=4 13910 B10R0.96 C=C(C)CN(C)CCC(C)O 269982a_100000225649_100012276601 [0,2,0,0,0,0|2,0,0]=4 13911 B10R0.96 C=C(C)CNC(C)CC(C)C 2230a_100000692259_100000748629 [0,2,0,0,0,0|2,0,0]=4 13912 B10R0.96 C=C(C)COC(C)CC(C)C 34a_100000210245_100000731052 [0,2,0,0,0,0|2,0,0]=4 13913 B10R0.96 C=C(C)COC(C)CC(C)C 34a_100000211805_100000748629 [0,2,0,0,0,0|2,0,0]=4 13914 B10R0.96 C=C(C)COC(C)CC(C)C 7a_100000211805_100000748629 [0,2,0,0,0,0|2,0,0]=4 13915 B10R0.96 C=C(C)CSC(C)CC(C)C 62a_100000731052_100000211660 [0,2,0,0,0,0|2,0,0]=4 13916 B10R0.96 C=C(C)CSC(C)CC(C)C 62a_100000748629_100000731052 [0,2,0,0,0,0|2,0,0]=4 13917 B10R0.96 CC(=O)CC(=O)NCC(C)C 1458a_100000070787_100000183291 [0,2,0,0,0,0|1,0,1]=4 13918 B10R0.96 CC(=O)CC(C)CSC(=O)C 1458a_100000070787_200000116872 [0,2,0,0,0,0|1,0,1]=4 13919 B10R0.96 CC(=O)CCC(=O)NC(C)C 1458a_100000070787_100000737564 [0,2,0,0,0,0|1,0,1]=4 13920 B10R0.96 CC(=O)CCC(=O)OC(C)C 1458a_100000070787_100000760027 [0,2,0,0,0,0|1,0,1]=4 13921 B10R0.96 CC(=O)CCN(C)CC(C)C 269982a_100000747067_100000053229 [0,2,0,0,0,0|1,0,0]=3 13922 B10R0.96 CC(=O)CCN(C)CC(C)O 269982a_100000227577_100000053229 [0,2,0,0,0,0|1,0,0]=3 13923 B10R0.96 CC(=O)CNC(=O)CC(C)C 1458a_100000194594_200000210301 [0,2,0,0,0,0|1,0,1]=4 13924 B10R0.96 CC(=O)COC(C)CC(C)C 34a_100000211253_100000731052 [0,2,0,0,0,0|1,0,0]=3 13925 B10R0.96 CC(=O)NC(C)CCC(C)C 11a_100138410893_100015343762 [0,2,0,0,0,0|1,0,0]=3 13926 B10R0.96 CC(=O)NC(C)CCC(C)C 1626a_100138410893_100015343762 [0,2,0,0,0,0|1,0,0]=3 13927 B10R0.96 CC(=O)NC(C)CCC(C)C 240690a_100138410893_100015343762 [0,2,0,0,0,0|1,0,0]=3 13928 B10R0.96 CC(=O)NC(C)CCC(C)C 527a_100138410893_100103153847 [0,2,0,0,0,0|1,0,0]=3 13929 B10R0.96 CC(=O)NCC(=O)CC(C)C 1458a_100000194580_100000210624 [0,2,0,0,0,0|1,0,1]=4 13930 B10R0.96 CC(=O)NCC(=O)CC(C)O 1458a_100000194580_100011218427 [0,2,0,0,0,0|1,0,1]=4 13931 B10R0.96 CC(=O)NCC(O)CN(C)C 240690a_100000737402_100015343762 [0,2,0,0,0,0|2,0,0]=4 13932 B10R0.96 CC(=O)NCC(O)CN(C)C 527a_100000737402_100103153847 [0,2,0,0,0,0|2,0,0]=4 13933 B10R0.96 CC(=O)OC(C)SCC(C)C 62a_100000210624_100009818208 [0,2,0,0,0,0|2,0,0]=4 13934 B10R0.96 CC(=O)OC(C)SCC(C)C 62a_100009818208_100000210760 [0,2,0,0,0,0|2,0,0]=4 13935 B10R0.96 CC(=O)OC(C)SCC(C)O 62a_100009818208_100011218427 [0,2,0,0,0,0|2,0,0]=4 13936 B10R0.96 CC(=O)OC(C)SCC(C)O 62a_100011218427_100009818208 [0,2,0,0,0,0|2,0,0]=4 13937 B10R0.96 CC(=O)OC(C)SC[C@@H](C)O 62a_100009817552_100009818208 [0,2,0,0,0,0|2,0,0]=4 13938 B10R0.96 CC(=O)OC(C)SC[C@@H](C)O 62a_100009818208_100009817552 [0,2,0,0,0,0|2,0,0]=4 13939 B10R0.96 CC(=O)OCC(=O)CC(C)C 1458a_100000183556_100000210624 [0,2,0,0,0,0|1,0,1]=4 13940 B10R0.96 CC(=O)OCC(=O)CC(C)O 1458a_100000183556_100011218427 [0,2,0,0,0,0|1,0,1]=4 13941 B10R0.96 CC(=O)OCC(O)CN(C)C 269982a_100102631434_200000139349 [0,2,0,0,0,0|2,0,0]=4 13942 B10R0.96 CC(=O)OCN(C)CC(C)C 269982a_100000747067_100000076356 [0,2,0,0,0,0|2,0,0]=4 13943 B10R0.96 CC(=O)OCN(C)CC(C)O 269982a_100000227577_100000076356 [0,2,0,0,0,0|2,0,0]=4 13944 B10R0.96 CC(=O)SCC(=O)CC(C)C 1458a_100000049016_100000210624 [0,2,0,0,0,0|1,0,1]=4 13945 B10R0.96 CC(=O)SCC(=O)CC(C)O 1458a_100000049016_100011218427 [0,2,0,0,0,0|1,0,1]=4 13946 B10R0.96 CC(=O)SCC(C)CN(C)C 2230a_100102631434_200000116872 [0,2,0,0,0,0|2,0,0]=4 13947 B10R0.96 CC(=O)SCC(C)CN(C)C 269982a_100102631434_200000116872 [0,2,0,0,0,0|2,0,0]=4 13948 B10R0.96 CC(C)CC(=O)CCC(=O)N 1458a_100011215257_100000210624 [0,2,0,0,0,0|1,0,1]=4 13949 B10R0.96 CC(C)CC(=O)NCC(=O)[13CH3] 1458a_100000194594_200025704644 [0,2,0,0,0,0|1,0,1]=4 13950 B10R0.96 CC(C)CC(C)NCC(=O)N 2230a_100000692259_100000747473 [0,2,0,0,0,0|2,0,0]=4 13951 B10R0.96 CC(C)CC(C)NCC(=O)N 2230a_100000711301_100000731052 [0,2,0,0,0,0|2,0,0]=4 13952 B10R0.96 CC(C)CC(C)NCC(=O)O 269956a_100016091260_100000731052 [0,2,0,0,0,0|2,0,0]=4 13953 B10R0.96 CC(C)CC(C)OCC(=O)N 34a_100000211805_100000187820 [0,2,0,0,0,0|2,0,0]=4 13954 B10R0.96 CC(C)CC(C)OCC(=O)N 7a_100000211805_100000187820 [0,2,0,0,0,0|2,0,0]=4 13955 B10R0.96 CC(C)CC(C)OCC(=O)[O-] 34a_100000211805_100020667443 [0,2,0,0,0,0|2,0,0]=4 13956 B10R0.96 CC(C)CC(C)SCC(=O)N 62a_100000731052_100000747473 [0,2,0,0,0,0|2,0,0]=4 13957 B10R0.96 CC(C)CC(C)SCC(=O)N 62a_100000747473_100000731052 [0,2,0,0,0,0|2,0,0]=4 13958 B10R0.96 CC(C)CC(C)SCC(=O)[O-] 62a_100000731052_100020667443 [0,2,0,0,0,0|2,0,0]=4 13959 B10R0.96 CC(C)CC(C)SCC(=O)[O-] 62a_100020667443_100000731052 [0,2,0,0,0,0|2,0,0]=4 13960 B10R0.96 CC(C)CCC(=O)CC(=O)N 1458a_100000181311_100000187820 [0,2,0,0,0,0|1,0,1]=4 13961 B10R0.96 CC(C)CCC(=O)CC(=O)N 1458a_100134613110_100000210312 [0,2,0,0,0,0|1,0,1]=4 13962 B10R0.96 CC(C)CCC(=O)CC(=O)[O-] 1458a_100000181311_100020667443 [0,2,0,0,0,0|1,0,1]=4 13963 B10R0.96 CC(C)CCN(C)CC(=O)N 2230a_100000739694_100000210312 [0,2,0,0,0,0|2,0,0]=4 13964 B10R0.96 CC(C)CCN(C)CC(=O)N 2230a_100000742789_100000747473 [0,2,0,0,0,0|2,0,0]=4 13965 B10R0.96 CC(C)CCN(C)CC(=O)N 269982a_100000742789_100000187820 [0,2,0,0,0,0|2,0,0]=4 13966 B10R0.96 CC(C)CCN(C)CC(=O)O 269956a_100000746989_100000210312 [0,2,0,0,0,0|2,0,0]=4 13967 B10R0.96 CC(C)CCN(C)CC(=O)[O-] 269982a_100000742789_100020667443 [0,2,0,0,0,0|2,0,0]=4 13968 B10R0.96 CC(C)CN(C)CCC(=O)N 2230a_100000730477_100000210760 [0,2,0,0,0,0|2,0,0]=4 13969 B10R0.96 CC(C)CN(C)CCC(=O)N 2230a_100000747067_100000744528 [0,2,0,0,0,0|2,0,0]=4 13970 B10R0.96 CC(C)CN(C)CCC(=O)N 269982a_100000747067_100000744528 [0,2,0,0,0,0|2,0,0]=4 13971 B10R0.96 CC(C)CN(C)CCC(=O)N 270004a_100000730477_100000210432 [0,2,0,0,0,0|2,0,0]=4 13972 B10R0.96 CC(C)NCC(O)CC(=O)O 269956a_100011218706_100000210206 [0,2,0,0,0,0|2,0,0]=4 13973 B10R0.96 CC(O)CC(=O)CCC(=O)N 1458a_100011215257_100011218427 [0,2,0,0,0,0|1,0,1]=4 13974 B10R0.96 CC(O)CCC(=O)CC(=O)N 1458a_100134613110_100012276601 [0,2,0,0,0,0|1,0,1]=4 13975 B10R0.96 CC(O)CCN(C)CC(=O)N 2230a_100000739694_100012276601 [0,2,0,0,0,0|2,0,0]=4 13976 B10R0.96 CC(O)CCN(C)CC(=O)O 269956a_100000746989_100012276601 [0,2,0,0,0,0|2,0,0]=4 13977 B10R0.96 CC(O)CN(C)CCC(=O)N 2230a_100000227577_100000744528 [0,2,0,0,0,0|2,0,0]=4 13978 B10R0.96 CC(O)CN(C)CCC(=O)N 2230a_100000730477_100011218427 [0,2,0,0,0,0|2,0,0]=4 13979 B10R0.96 CC(O)CN(C)CCC(=O)N 269982a_100000227577_100000744528 [0,2,0,0,0,0|2,0,0]=4 13980 B10R0.96 C[C@@H](O)CN(C)CCC(=O)N 2230a_100000730477_100009817552 [0,2,0,0,0,0|2,0,0]=4 13981 B10R0.122 CC(=O)CC(C)(C)OCCF 7a_100000210262_100011217306 [0,2,0,0,0,0|2,0,0]=4 13982 B10R0.122 CC(=O)CC(C)(C)OCCO 7a_100000210262_100000211926 [0,2,0,0,0,0|2,0,0]=4 13983 B10R0.122 CCCCS(=O)(=O)NC(=O)C 2740a_100000178431_100015343762 [0,2,0,0,0,0|2,0,0]=4 13984 B10R0.122 CCCC[Si](C)(C)CC(=O)C 1458a_100000070787_200000073895 [0,2,0,0,0,0|0,1,0]=3 13985 B10R0.122 CCCNC(C)(C)CC(=O)N 2230a_100000763158_100000210303 [0,2,0,0,0,0|2,0,0]=4 13986 B10R0.122 CCCNC(C)(C)CC(=O)O 269956a_100000755897_100000210207 [0,2,0,0,0,0|2,0,0]=4 13987 B10R0.122 CCCOC(C)(C)CC(=O)C 7a_100000210262_100000210303 [0,2,0,0,0,0|1,0,0]=3 13988 B10R0.5 CCCCCN(C)S(=O)(=O)C 40a_100000223495_100000738038 [0,2,0,0,0,0|2,0,0]=4 13989 B10R0.15 C=C(C)CCNCC(C)(C)C 2230a_100000743828_100000730704 [0,2,0,0,0,0|2,0,0]=4 13990 B10R0.15 C=C(C)CCNCC(C)(C)F 2230a_100020643315_100000730704 [0,2,0,0,0,0|2,0,0]=4 13991 B10R0.15 C=C(C)CCNCC(C)(C)O 2230a_100000751335_100000730704 [0,2,0,0,0,0|2,0,0]=4 13992 B10R0.15 C=C(C)CCOCC(C)(C)C 34a_100000764851_100011219605 [0,2,0,0,0,0|2,0,0]=4 13993 B10R0.15 C=C(C)CCOCC(C)(C)F 34a_100000716592_100000730704 [0,2,0,0,0,0|2,0,0]=4 13994 B10R0.15 C=C(C)CCOCC(C)(C)F 34a_100000764851_100011997219 [0,2,0,0,0,0|2,0,0]=4 13995 B10R0.15 C=C(C)CCOCC(C)(C)O 34a_100000764851_100000764493 [0,2,0,0,0,0|2,0,0]=4 13996 B10R0.15 C=C(C)CCOCC(C)(F)F 34a_100000068830_100000730704 [0,2,0,0,0,0|2,0,0]=4 13997 B10R0.15 C=C(C)CCSCC(C)(C)C 62a_100000730704_100011219605 [0,2,0,0,0,0|2,0,0]=4 13998 B10R0.15 C=C(C)CCSCC(C)(C)C 62a_100011219605_100000730704 [0,2,0,0,0,0|2,0,0]=4 13999 B10R0.15 C=C(C)CCSCC(C)(C)F 62a_100000730704_100011997219 [0,2,0,0,0,0|2,0,0]=4 14000 B10R0.15 C=C(C)CCSCC(C)(C)F 62a_100011997219_100000730704 [0,2,0,0,0,0|2,0,0]=4 14001 B10R0.15 C=C(C)CCSCC(C)(C)O 62a_100000730704_100000764493 [0,2,0,0,0,0|2,0,0]=4 14002 B10R0.15 C=C(C)CCSCC(C)(C)O 62a_100000764493_100000730704 [0,2,0,0,0,0|2,0,0]=4 14003 B10R0.15 C=C(C)CNCCC(C)(C)C 2230a_100000738805_100000748629 [0,2,0,0,0,0|2,0,0]=4 14004 B10R0.15 C=C(C)CNCCC(C)(C)F 2230a_100016253952_100000748629 [0,2,0,0,0,0|2,0,0]=4 14005 B10R0.15 C=C(C)COCCC(C)(C)C 34a_100000210245_100000755188 [0,2,0,0,0,0|2,0,0]=4 14006 B10R0.15 C=C(C)COCCC(C)(C)C 7a_100000765024_100000748629 [0,2,0,0,0,0|2,0,0]=4 14007 B10R0.15 C=C(C)COCCC(C)(C)O 34a_100000210245_100000702414 [0,2,0,0,0,0|2,0,0]=4 14008 B10R0.15 C=C(C)CSCCC(C)(C)C 62a_100000748629_100000755188 [0,2,0,0,0,0|2,0,0]=4 14009 B10R0.15 C=C(C)CSCCC(C)(C)C 62a_100000755188_100000211660 [0,2,0,0,0,0|2,0,0]=4 14010 B10R0.15 C=C(C)CSCCC(C)(C)O 62a_100000702414_100000211660 [0,2,0,0,0,0|2,0,0]=4 14011 B10R0.15 C=C(C)CSCCC(C)(C)O 62a_100000748629_100000702414 [0,2,0,0,0,0|2,0,0]=4 14012 B10R0.15 CC(=O)CCCCC(F)(F)F 1458a_100000070787_100000692467 [0,2,0,0,0,0|1,0,0]=3 14013 B10R0.15 CC(=O)CCCOC(C)(C)C 34a_100000759063_100000210625 [0,2,0,0,0,0|1,0,0]=3 14014 B10R0.15 CC(=O)CCCOC(C)(C)C 34a_100015890283_100000685027 [0,2,0,0,0,0|1,0,0]=3 14015 B10R0.15 CC(=O)CCCOC(C)(C)C 7a_100015890283_100011215641 [0,2,0,0,0,0|1,0,0]=3 14016 B10R0.15 CC(=O)CCCOC(F)(F)F 34a_100000759063_200103152311 [0,2,0,0,0,0|2,0,0]=4 14017 B10R0.15 CC(=O)CCCOC(F)(F)F 7a_100000759063_200000243211 [0,2,0,0,0,0|2,0,0]=4 14018 B10R0.15 CC(=O)CCCSC(C)(C)C 62a_100000211941_100011215641 [0,2,0,0,0,0|1,0,0]=3 14019 B10R0.15 CC(=O)CCCSC(C)(C)C 62a_100011215641_100000211941 [0,2,0,0,0,0|1,0,0]=3 14020 B10R0.15 CC(=O)CCCSC(F)(F)F 62a_100011215641_200103152311 [0,2,0,0,0,0|2,0,0]=4 14021 B10R0.15 CC(=O)CCCSC(F)(F)F 62a_200000243211_100011215641 [0,2,0,0,0,0|2,0,0]=4 14022 B10R0.15 CC(=O)CCOCC(C)(C)C 34a_100000759926_100011219605 [0,2,0,0,0,0|1,0,0]=3 14023 B10R0.15 CC(=O)CCOCC(C)(C)F 34a_100000759926_100011997219 [0,2,0,0,0,0|1,0,0]=3 14024 B10R0.15 CC(=O)CCOCC(C)(C)O 34a_100000759926_100000764493 [0,2,0,0,0,0|1,0,0]=3 14025 B10R0.15 CC(=O)CCOCC(C)(C)O 7a_100000759926_100000764493 [0,2,0,0,0,0|1,0,0]=3 14026 B10R0.15 CC(=O)CCOCC(F)(F)F 1458a_100000070787_200011259466 [0,2,0,0,0,0|2,0,0]=4 14027 B10R0.15 CC(=O)CCOC[Si](C)(C)C 7a_100000759926_100000233785 [0,2,0,0,0,0|1,1,0]=4 14028 B10R0.15 CC(=O)CCSCC(C)(C)C 62a_100000053229_100011219605 [0,2,0,0,0,0|1,0,0]=3 14029 B10R0.15 CC(=O)CCSCC(C)(C)C 62a_100011219605_100000053229 [0,2,0,0,0,0|1,0,0]=3 14030 B10R0.15 CC(=O)CCSCC(C)(C)F 62a_100000053229_100011997219 [0,2,0,0,0,0|1,0,0]=3 14031 B10R0.15 CC(=O)CCSCC(C)(C)F 62a_100011997219_100000053229 [0,2,0,0,0,0|1,0,0]=3 14032 B10R0.15 CC(=O)CCSCC(C)(C)O 62a_100000053229_100000764493 [0,2,0,0,0,0|1,0,0]=3 14033 B10R0.15 CC(=O)CCSCC(C)(C)O 62a_100000764493_100000053229 [0,2,0,0,0,0|1,0,0]=3 14034 B10R0.15 CC(=O)CCSCC(F)(F)F 62a_100000053229_100000763148 [0,2,0,0,0,0|2,0,0]=4 14035 B10R0.15 CC(=O)CCSCC(F)(F)F 62a_100000763148_100000053229 [0,2,0,0,0,0|2,0,0]=4 14036 B10R0.15 CC(=O)CCSC[N+](C)(C)C 62a_100000053229_200000036245 [0,2,0,0,0,0|2,0,0]=4 14037 B10R0.15 CC(=O)CCSC[N+](C)(C)C 62a_200000036245_100000053229 [0,2,0,0,0,0|2,0,0]=4 14038 B10R0.15 CC(=O)CCSC[Si](C)(C)C 62a_100000037933_100000053229 [0,2,0,0,0,0|1,1,0]=4 14039 B10R0.15 CC(=O)CCSC[Si](C)(C)C 62a_100000053229_100000037933 [0,2,0,0,0,0|1,1,0]=4 14040 B10R0.15 CC(=O)COCCC(C)(C)C 34a_100000211253_100000755188 [0,2,0,0,0,0|1,0,0]=3 14041 B10R0.15 CC(=O)COCCC(C)(C)O 34a_100000211253_100000702414 [0,2,0,0,0,0|1,0,0]=3 14042 B10R0.15 CC(=O)COCCC(F)(F)F 34a_100000211253_100011219754 [0,2,0,0,0,0|2,0,0]=4 14043 B10R0.15 CC(=O)COCCS(=O)(=O)C 34a_100000211253_100000731031 [0,2,0,0,0,0|2,0,0]=4 14044 B10R0.15 CC(=O)COCC[N+](C)(C)C 34a_100000211253_100000085578 [0,2,0,0,0,0|2,0,0]=4 14045 B10R0.15 CC(=O)COCC[Si](C)(C)C 1458a_100000070787_100000032501 [0,2,0,0,0,0|1,1,0]=4 14046 B10R0.15 CC(=O)COCC[Si](C)(C)C 34a_100000211253_200000733723 [0,2,0,0,0,0|1,1,0]=4 14047 B10R0.15 CC(=O)NCCCC(F)(F)F 11a_100000727188_100015343762 [0,2,0,0,0,0|2,0,0]=4 14048 B10R0.15 CC(=O)NCCCC(F)(F)F 1626a_100000727188_100015343762 [0,2,0,0,0,0|2,0,0]=4 14049 B10R0.15 CC(=O)NCCCC(F)(F)F 240690a_100000727188_100015343762 [0,2,0,0,0,0|2,0,0]=4 14050 B10R0.15 CC(=O)NCCCC(F)(F)F 527a_100000727188_100103153847 [0,2,0,0,0,0|2,0,0]=4 14051 B10R0.15 CC(=O)NCCCS(=O)(=O)C 11a_100000742409_100015343762 [0,2,0,0,0,0|2,0,0]=4 14052 B10R0.15 CC(=O)NCCCS(=O)(=O)C 1626a_100000742409_100015343762 [0,2,0,0,0,0|2,0,0]=4 14053 B10R0.15 CC(=O)NCCCS(=O)(=O)C 240690a_100000742409_100015343762 [0,2,0,0,0,0|2,0,0]=4 14054 B10R0.15 CC(=O)NCCCS(=O)(=O)C 527a_100000742409_100103153847 [0,2,0,0,0,0|2,0,0]=4 14055 B10R0.15 CC(=O)NCCC[Si](C)(C)C 1626a_100000725946_100015343762 [0,2,0,0,0,0|1,1,0]=4 14056 B10R0.15 CC(=O)NCCC[Si](C)(C)C 240690a_100000725946_100015343762 [0,2,0,0,0,0|1,1,0]=4 14057 B10R0.15 CC(=O)NCCC[Si](C)(C)C 527a_100000725946_100103153847 [0,2,0,0,0,0|1,1,0]=4 14058 B10R0.15 CC(=O)NCCNC(C)(C)C 2230a_100000715429_100000189650 [0,2,0,0,0,0|2,0,0]=4 14059 B10R0.15 CC(=O)NCCOC(C)(C)C 11a_100000747557_100015343762 [0,2,0,0,0,0|2,0,0]=4 14060 B10R0.15 CC(=O)NCCOC(C)(C)C 1626a_100000747557_100015343762 [0,2,0,0,0,0|2,0,0]=4 14061 B10R0.15 CC(=O)NCCOC(C)(C)C 240690a_100000747557_100015343762 [0,2,0,0,0,0|2,0,0]=4 14062 B10R0.15 CC(=O)NCCOC(C)(C)C 34a_100000158858_100000210625 [0,2,0,0,0,0|2,0,0]=4 14063 B10R0.15 CC(=O)NCCOC(C)(C)C 527a_100000747557_100103153847 [0,2,0,0,0,0|2,0,0]=4 14064 B10R0.15 CC(=O)NCCOC(C)(C)C 7a_100015890283_100000189650 [0,2,0,0,0,0|2,0,0]=4 14065 B10R0.15 CC(=O)NCCSC(C)(C)C 11a_100000689375_100015343762 [0,2,0,0,0,0|2,0,0]=4 14066 B10R0.15 CC(=O)NCCSC(C)(C)C 1626a_100000689375_100015343762 [0,2,0,0,0,0|2,0,0]=4 14067 B10R0.15 CC(=O)NCCSC(C)(C)C 240690a_100000689375_100015343762 [0,2,0,0,0,0|2,0,0]=4 14068 B10R0.15 CC(=O)NCCSC(C)(C)C 527a_100000689375_100103153847 [0,2,0,0,0,0|2,0,0]=4 14069 B10R0.15 CC(=O)NCCSC(C)(C)C 62a_100000189650_100000211941 [0,2,0,0,0,0|2,0,0]=4 14070 B10R0.15 CC(=O)NCCSC(C)(C)C 62a_100000211941_100000189650 [0,2,0,0,0,0|2,0,0]=4 14071 B10R0.15 CC(=O)OCCOC(C)(C)C 34a_100015890283_100009814007 [0,2,0,0,0,0|2,0,0]=4 14072 B10R0.15 CC(=O)OCCOC(C)(C)C 7a_100015890283_100009814007 [0,2,0,0,0,0|2,0,0]=4 14073 B10R0.15 CC(=O)OCCSC(C)(C)C 62a_100000211941_100009814007 [0,2,0,0,0,0|2,0,0]=4 14074 B10R0.15 CC(=O)OCCSC(C)(C)C 62a_100009814007_100000211941 [0,2,0,0,0,0|2,0,0]=4 14075 B10R0.15 CC(=O)OCOCC(C)(C)F 34a_100000716592_100009813279 [0,2,0,0,0,0|2,0,0]=4 14076 B10R0.15 CC(=O)OCOCC(C)(F)F 34a_100000068830_100009813279 [0,2,0,0,0,0|2,0,0]=4 14077 B10R0.15 CC(=O)OCSCC(C)(C)C 62a_100000076356_100011219605 [0,2,0,0,0,0|2,0,0]=4 14078 B10R0.15 CC(=O)OCSCC(C)(C)C 62a_100011219605_100000076356 [0,2,0,0,0,0|2,0,0]=4 14079 B10R0.15 CC(=O)OCSCC(C)(C)F 62a_100000076356_100011997219 [0,2,0,0,0,0|2,0,0]=4 14080 B10R0.15 CC(=O)OCSCC(C)(C)F 62a_100011997219_100000076356 [0,2,0,0,0,0|2,0,0]=4 14081 B10R0.15 CC(=O)OCSCC(C)(C)O 62a_100000076356_100000764493 [0,2,0,0,0,0|2,0,0]=4 14082 B10R0.15 CC(=O)OCSCC(C)(C)O 62a_100000764493_100000076356 [0,2,0,0,0,0|2,0,0]=4 14083 B10R0.15 CC(Br)COCCS(=O)(=O)C 34a_100012180447_100000731031 [0,2,0,0,0,0|2,0,0]=4 14084 B10R0.15 CC(C)(C)CCNCC(=O)N 2230a_100000711301_100000755188 [0,2,0,0,0,0|2,0,0]=4 14085 B10R0.15 CC(C)(C)CCNCC(=O)N 2230a_100000738805_100000747473 [0,2,0,0,0,0|2,0,0]=4 14086 B10R0.15 CC(C)(C)CCNCC(=O)O 269956a_100016091260_100000755188 [0,2,0,0,0,0|2,0,0]=4 14087 B10R0.15 CC(C)(C)CCOCC(=O)N 7a_100000765024_100000187820 [0,2,0,0,0,0|2,0,0]=4 14088 B10R0.15 CC(C)(C)CCSCC(=O)N 62a_100000747473_100000755188 [0,2,0,0,0,0|2,0,0]=4 14089 B10R0.15 CC(C)(C)CCSCC(=O)N 62a_100000755188_100000747473 [0,2,0,0,0,0|2,0,0]=4 14090 B10R0.15 CC(C)(C)CCSCC(=O)[O-] 62a_100000755188_100020667443 [0,2,0,0,0,0|2,0,0]=4 14091 B10R0.15 CC(C)(C)CCSCC(=O)[O-] 62a_100020667443_100000755188 [0,2,0,0,0,0|2,0,0]=4 14092 B10R0.15 CC(C)(C)CNCCC(=O)N 2230a_100000743828_100000744528 [0,2,0,0,0,0|2,0,0]=4 14093 B10R0.15 CC(C)(C)COCCC(=O)N 34a_100000757172_100011219605 [0,2,0,0,0,0|2,0,0]=4 14094 B10R0.15 CC(C)(C)CSCCC(=O)N 62a_100000744528_100011219605 [0,2,0,0,0,0|2,0,0]=4 14095 B10R0.15 CC(C)(C)CSCCC(=O)N 62a_100011219605_100000744528 [0,2,0,0,0,0|2,0,0]=4 14096 B10R0.15 CC(C)(C)NCCCC(=O)N 34a_100000739312_100000210625 [0,2,0,0,0,0|2,0,0]=4 14097 B10R0.15 CC(C)(C)OCCCC(=O)N 34a_100015890283_100102525003 [0,2,0,0,0,0|2,0,0]=4 14098 B10R0.15 CC(C)(C)OCCCC(=O)N 7a_100015890283_100102525003 [0,2,0,0,0,0|2,0,0]=4 14099 B10R0.15 CC(C)(C)SCCCC(=O)N 62a_100000211941_100102525003 [0,2,0,0,0,0|2,0,0]=4 14100 B10R0.15 CC(C)(C)SCCCC(=O)N 62a_100102525003_100000211941 [0,2,0,0,0,0|2,0,0]=4 14101 B10R0.15 CC(C)(F)CCNCC(=O)N 2230a_100016253952_100000747473 [0,2,0,0,0,0|2,0,0]=4 14102 B10R0.15 CC(C)(F)CNCCC(=O)N 2230a_100020643315_100000744528 [0,2,0,0,0,0|2,0,0]=4 14103 B10R0.15 CC(C)(F)COCCC(=O)N 34a_100000716592_100000731001 [0,2,0,0,0,0|2,0,0]=4 14104 B10R0.15 CC(C)(F)COCCC(=O)N 34a_100000757172_100011997219 [0,2,0,0,0,0|2,0,0]=4 14105 B10R0.15 CC(C)(F)CSCCC(=O)N 62a_100000744528_100011997219 [0,2,0,0,0,0|2,0,0]=4 14106 B10R0.15 CC(C)(F)CSCCC(=O)N 62a_100011997219_100000744528 [0,2,0,0,0,0|2,0,0]=4 14107 B10R0.15 CC(C)(O)CCNCC(=O)N 2230a_100000711301_100000702414 [0,2,0,0,0,0|2,0,0]=4 14108 B10R0.15 CC(C)(O)CCNCC(=O)O 269956a_100016091260_100000702414 [0,2,0,0,0,0|2,0,0]=4 14109 B10R0.15 CC(C)(O)CCSCC(=O)N 62a_100000702414_100000747473 [0,2,0,0,0,0|2,0,0]=4 14110 B10R0.15 CC(C)(O)CCSCC(=O)N 62a_100000747473_100000702414 [0,2,0,0,0,0|2,0,0]=4 14111 B10R0.15 CC(C)(O)CCSCC(=O)[O-] 62a_100000702414_100020667443 [0,2,0,0,0,0|2,0,0]=4 14112 B10R0.15 CC(C)(O)CCSCC(=O)[O-] 62a_100020667443_100000702414 [0,2,0,0,0,0|2,0,0]=4 14113 B10R0.15 CC(C)(O)CNCCC(=O)N 2230a_100000751335_100000744528 [0,2,0,0,0,0|2,0,0]=4 14114 B10R0.15 CC(C)(O)COCCC(=O)N 34a_100000757172_100000764493 [0,2,0,0,0,0|2,0,0]=4 14115 B10R0.15 CC(C)(O)COCCC(=O)N 7a_100000757172_100000764493 [0,2,0,0,0,0|2,0,0]=4 14116 B10R0.15 CC(C)(O)CSCCC(=O)N 62a_100000744528_100000764493 [0,2,0,0,0,0|2,0,0]=4 14117 B10R0.15 CC(C)(O)CSCCC(=O)N 62a_100000764493_100000744528 [0,2,0,0,0,0|2,0,0]=4 14118 B10R0.15 CC(C)CCCNS(=O)(=O)C 40a_200000737386_100000738038 [0,2,0,0,0,0|2,0,0]=4 14119 B10R0.15 CC(C)CNCCS(=O)(=O)C 2230a_100000210953_100000731031 [0,2,0,0,0,0|2,0,0]=4 14120 B10R0.15 CC(C)CNCCS(=O)(=O)C 2230a_100000740961_100000210760 [0,2,0,0,0,0|2,0,0]=4 14121 B10R0.15 CC(C)CNCCS(=O)(=O)C 270004a_100000740961_100000210432 [0,2,0,0,0,0|2,0,0]=4 14122 B10R0.15 CC(C)CNCCS(=O)(=O)C 34a_100000210953_100000731031 [0,2,0,0,0,0|2,0,0]=4 14123 B10R0.15 CC(C)CNCCS(=O)(=O)C 34a_100000740961_100000210624 [0,2,0,0,0,0|2,0,0]=4 14124 B10R0.15 CC(C)COCCS(=O)(=O)C 34a_100000210257_100000731031 [0,2,0,0,0,0|2,0,0]=4 14125 B10R0.15 CC(C)COCCS(=O)(=O)C 34a_100000211924_100000210624 [0,2,0,0,0,0|2,0,0]=4 14126 B10R0.15 CC(C)COCCS(=O)(=O)C 7a_100000211924_100000210760 [0,2,0,0,0,0|2,0,0]=4 14127 B10R0.15 CC(C)CSCCS(=O)(=O)C 62a_100000210624_100000230027 [0,2,0,0,0,0|2,0,0]=4 14128 B10R0.15 CC(C)CSCCS(=O)(=O)C 62a_100000731031_100000210760 [0,2,0,0,0,0|2,0,0]=4 14129 B10R0.15 CC(C)NCCCS(=O)(=O)C 2230a_100000742409_100000210206 [0,2,0,0,0,0|2,0,0]=4 14130 B10R0.15 CC(C)NCCCS(=O)(=O)C 2230a_100138425928_100000754308 [0,2,0,0,0,0|2,0,0]=4 14131 B10R0.15 CC(C)NCCCS(=O)(=O)C 34a_100000742409_100000210206 [0,2,0,0,0,0|2,0,0]=4 14132 B10R0.15 CC(C)NCCCS(=O)(=O)C 34a_100138425928_100000754308 [0,2,0,0,0,0|2,0,0]=4 14133 B10R0.15 CC(C)OCCCS(=O)(=O)C 34a_100000212225_100000754308 [0,2,0,0,0,0|2,0,0]=4 14134 B10R0.15 CC(C)OCCCS(=O)(=O)C 34a_100000689940_100000210206 [0,2,0,0,0,0|2,0,0]=4 14135 B10R0.15 CC(C)OCCCS(=O)(=O)C 7a_100000689940_100000210206 [0,2,0,0,0,0|2,0,0]=4 14136 B10R0.15 CC(C)SCCCS(=O)(=O)C 62a_100000210206_100000754308 [0,2,0,0,0,0|2,0,0]=4 14137 B10R0.15 CC(C)SCCCS(=O)(=O)C 62a_100000754308_100000210206 [0,2,0,0,0,0|2,0,0]=4 14138 B10R0.15 CC(F)(F)COCCC(=O)N 34a_100000068830_100000731001 [0,2,0,0,0,0|2,0,0]=4 14139 B10R0.15 CC(F)COCCS(=O)(=O)C 34a_100015925927_100000731031 [0,2,0,0,0,0|2,0,0]=4 14140 B10R0.15 CC(O)CNCCS(=O)(=O)C 2230a_100000210904_100000731031 [0,2,0,0,0,0|2,0,0]=4 14141 B10R0.15 CC(O)CNCCS(=O)(=O)C 2230a_100000740961_100011218427 [0,2,0,0,0,0|2,0,0]=4 14142 B10R0.15 CC(O)CNCCS(=O)(=O)C 34a_100000210904_100000731031 [0,2,0,0,0,0|2,0,0]=4 14143 B10R0.15 CC(O)CNCCS(=O)(=O)C 34a_100000740961_100011218427 [0,2,0,0,0,0|2,0,0]=4 14144 B10R0.15 CC(O)COCCS(=O)(=O)C 34a_100000211924_100011218427 [0,2,0,0,0,0|2,0,0]=4 14145 B10R0.15 CC(O)COCCS(=O)(=O)C 7a_100000211924_100011218427 [0,2,0,0,0,0|2,0,0]=4 14146 B10R0.15 CC(O)CSCCS(=O)(=O)C 62a_100000731031_100011218427 [0,2,0,0,0,0|2,0,0]=4 14147 B10R0.15 CC(O)CSCCS(=O)(=O)C 62a_100011218427_100000230027 [0,2,0,0,0,0|2,0,0]=4 14148 B10R0.15 C[C@@H](Cl)COCCS(=O)(=O)C 34a_100016084084_100000731031 [0,2,0,0,0,0|2,0,0]=4 14149 B10R0.15 C[C@@H](N)COCCS(=O)(=O)C 34a_100000737577_100000731031 [0,2,0,0,0,0|2,0,0]=4 14150 B10R0.15 C[C@@H](O)CNCCS(=O)(=O)C 2230a_100000740961_100009817552 [0,2,0,0,0,0|2,0,0]=4 14151 B10R0.15 C[C@@H](O)CNCCS(=O)(=O)C 34a_100000740961_100009817552 [0,2,0,0,0,0|2,0,0]=4 14152 B10R0.15 C[C@@H](O)COCCS(=O)(=O)C 34a_100000211924_100009817552 [0,2,0,0,0,0|2,0,0]=4 14153 B10R0.15 C[C@@H](O)COCCS(=O)(=O)C 7a_100000211924_100009817552 [0,2,0,0,0,0|2,0,0]=4 14154 B10R0.15 C[C@@H](O)CSCCS(=O)(=O)C 62a_100000731031_100009817552 [0,2,0,0,0,0|2,0,0]=4 14155 B10R0.15 C[C@@H](O)CSCCS(=O)(=O)C 62a_100009817552_100000230027 [0,2,0,0,0,0|2,0,0]=4 14156 B10R0.62 CCCCCCC(C)(C)OC 7a_200011995690_200000210301 [0,2,0,0,0,0|0,0,2]=4 14157 B10R0.62 CCCCCCC(C)(C)O[13CH3] 7a_200011995690_200025704644 [0,2,0,0,0,0|0,0,2]=4 14158 B10R0.62 CCCCCCS(=O)(=O)NC 270084a_100102657272_100011361803 [0,2,0,0,0,0|1,0,0]=3 14159 B10R0.62 CCCCCCS(=O)(=O)NC 274078a_100102657272_100011361803 [0,2,0,0,0,0|1,0,0]=3 14160 B10R0.62 CCCCCNS(=O)(=O)CC 270084a_100000209983_100000211323 [0,2,0,0,0,0|2,0,0]=4 14161 B10R0.62 CCCCCNS(=O)(=O)CC 274078a_100000209983_100000211323 [0,2,0,0,0,0|2,0,0]=4 14162 B10R0.62 CCCCCNS(=O)(=O)CC 40a_100000209983_100000053943 [0,2,0,0,0,0|2,0,0]=4 14163 B10R0.62 CCCCCNS(=O)(=O)CCl 270084a_100000209983_100000031410 [0,2,0,0,0,0|2,0,0]=4 14164 B10R0.62 CCCCCNS(=O)(=O)CCl 274078a_100000209983_100000031410 [0,2,0,0,0,0|2,0,0]=4 14165 B10R0.62 CCCNCCS(=O)(=O)CC 2230a_100000751051_100000210303 [0,2,0,0,0,0|2,0,0]=4 14166 B10R0.62 CCCNCCS(=O)(=O)CC 34a_100000751051_100000210303 [0,2,0,0,0,0|2,0,0]=4 14167 B10R0.62 CCCNCCS(=O)(=O)NC 2230a_100000710037_100000210303 [0,2,0,0,0,0|2,0,0]=4 14168 B10R0.62 CCCNCCS(=O)(=O)NC 34a_100000710037_100000210303 [0,2,0,0,0,0|2,0,0]=4 14169 B10R0.62 CCCOCCS(=O)(=O)CC 34a_100000210258_100000756660 [0,2,0,0,0,0|2,0,0]=4 14170 B10R0.62 CCCOCCS(=O)(=O)CC 34a_200011216379_100000210303 [0,2,0,0,0,0|2,0,0]=4 14171 B10R0.62 CCCOCCS(=O)(=O)CC 7a_200011216379_100000210303 [0,2,0,0,0,0|2,0,0]=4 14172 B10R0.62 CCCSCCS(=O)(=O)CC 62a_100000210303_100000756660 [0,2,0,0,0,0|2,0,0]=4 14173 B10R0.62 CCCSCCS(=O)(=O)CC 62a_100000756660_100000210303 [0,2,0,0,0,0|2,0,0]=4 14174 B10R0.109 CCCC(=O)CCS(=O)(=O)C 1458a_100000211992_100000731031 [0,2,0,0,0,0|1,0,1]=4 14175 B10R0.109 CCCC(=O)CCS(=O)(=O)C 1458a_100000737124_100000210303 [0,2,0,0,0,0|1,0,1]=4 14176 B10R0.109 CCCN(C)CCS(=O)(=O)C 2230a_100000747261_100000731031 [0,2,0,0,0,0|2,0,0]=4 14177 B10R0.109 CCCN(C)CCS(=O)(=O)C 2230a_100000750128_100000210303 [0,2,0,0,0,0|2,0,0]=4 14178 B10R0.109 CCCN(C)CCS(=O)(=O)C 269982a_100000747261_100000731031 [0,2,0,0,0,0|2,0,0]=4 14179 B10R0.109 CCCN(C)CCS(=O)(=O)C 269982a_100000750128_100000210303 [0,2,0,0,0,0|2,0,0]=4 14180 B10R0.109 CCCN(C)CCS(=O)(=O)C 34a_100000750128_100000210303 [0,2,0,0,0,0|2,0,0]=4 14181 B10R0.1 C#CCC(=O)C/C=C/CCC 1458a_200016266809_100000184674 [0,2,0,0,0,0|0,0,2]=4 14182 B10R0.1 C#CCC(=O)C=CCCCC 1458a_100016266645_100000184674 [0,2,0,0,0,0|0,0,2]=4 14183 B10R0.1 C#CCC(=O)CC/C=C\CC 1458a_100011220946_100015370543 [0,2,0,0,0,0|0,0,2]=4 14184 B10R0.1 C#CCC(=O)CCCCC#N 1458a_100011220946_100000211819 [0,2,0,0,0,0|1,0,1]=4 14185 B10R0.1 C#CCC(=O)CCCCC=C 1458a_100011215552_100000184674 [0,2,0,0,0,0|0,0,2]=4 14186 B10R0.1 C#CCC(=O)CCCCC=C 1458a_100011220946_100011215482 [0,2,0,0,0,0|0,0,2]=4 14187 B10R0.1 C#CCC(=O)CCCCCC 1458a_100011220946_100000210757 [0,2,0,0,0,0|0,0,0]=2 14188 B10R0.1 C#CCC(=O)CCCCCC 1458a_100102632555_100000184674 [0,2,0,0,0,0|0,0,0]=2 14189 B10R0.1 C#CCC(=O)CCCCCF 1458a_100011220946_100000729378 [0,2,0,0,0,0|1,0,0]=3 14190 B10R0.1 C#CCC(=O)CCCCCO 1458a_100011220946_100000746330 [0,2,0,0,0,0|1,0,0]=3 14191 B10R0.1 C#CCC(=O)CCCCCO 1458a_100102619762_100000184674 [0,2,0,0,0,0|1,0,0]=3 14192 B10R0.1 C#CCC(=O)CCCCOC 1458a_100011220946_100000755781 [0,2,0,0,0,0|1,0,0]=3 14193 B10R0.1 C#CCC(=O)CCCOCC 1458a_100011220946_100012232248 [0,2,0,0,0,0|1,0,0]=3 14194 B10R0.1 C#CCC(=O)CCOCCC 1458a_100011220946_100011215938 [0,2,0,0,0,0|1,0,0]=3 14195 B10R0.1 C#CCC(=O)CCOCCO 1458a_100011220946_100011215305 [0,2,0,0,0,0|2,0,0]=4 14196 B10R0.1 C#CCC(=O)CCOCCO 1458a_100011229844_100000184674 [0,2,0,0,0,0|2,0,0]=4 14197 B10R0.1 C#CCC(=O)COCCCC 1458a_100000757543_100000184674 [0,2,0,0,0,0|1,0,0]=3 14198 B10R0.1 C#CCC(=O)COCCCC 1458a_100011220946_100011995733 [0,2,0,0,0,0|1,0,0]=3 14199 B10R0.1 C#CCC(=O)COCCOC 1458a_100000211095_100000184674 [0,2,0,0,0,0|2,0,0]=4 14200 B10R0.1 C#CCC(=O)CSCCCC 1458a_100000191162_100000184674 [0,2,0,0,0,0|1,0,0]=3 14201 B10R0.1 C#CCC(=O)NCCCCC 1626a_100000209983_100011220946 [0,2,0,0,0,0|1,0,0]=3 14202 B10R0.1 C#CCC(=O)NCCCCC 527a_100000209983_100011220946 [0,2,0,0,0,0|1,0,0]=3 14203 B10R0.1 C#CCC(=O)NCCCCO 527a_100000750430_100011220946 [0,2,0,0,0,0|2,0,0]=4 14204 B10R0.1 C#CCC(=O)NCCCOC 1626a_100150723488_100011220946 [0,2,0,0,0,0|2,0,0]=4 14205 B10R0.1 C#CCC(=O)NCCCOC 527a_100150723488_100011220946 [0,2,0,0,0,0|2,0,0]=4 14206 B10R0.1 C#CCC(=O)NCCCSC 1626a_100000749238_100011220946 [0,2,0,0,0,0|2,0,0]=4 14207 B10R0.1 C#CCC(=O)NCCCSC 527a_100000749238_100011220946 [0,2,0,0,0,0|2,0,0]=4 14208 B10R0.1 C#CCC(=O)NCCOCC 1626a_102516460346_100011220946 [0,2,0,0,0,0|2,0,0]=4 14209 B10R0.1 C#CCC(=O)NCCOCC 527a_100011200944_100011220946 [0,2,0,0,0,0|2,0,0]=4 14210 B10R0.1 C#CCC(=O)NCCSCC 1626a_100000106463_100011220946 [0,2,0,0,0,0|2,0,0]=4 14211 B10R0.1 C#CCC(=O)NCCSCC 527a_100000106463_100011220946 [0,2,0,0,0,0|2,0,0]=4 14212 B10R0.1 C#CCCCCC(=O)C#CC 1458a_100000763181_100010269958 [0,2,0,0,0,0|0,0,2]=4 14213 B10R0.1 C#CCCCCC(=O)C=CC 1458a_100000210699_100010269958 [0,2,0,0,0,0|0,0,2]=4 14214 B10R0.1 C#CCCCCC(=O)CC#C 1458a_100000696528_100000184674 [0,2,0,0,0,0|0,0,2]=4 14215 B10R0.1 C#CCCCCC(=O)CC#C 1458a_100011220946_100010269958 [0,2,0,0,0,0|0,0,2]=4 14216 B10R0.1 C#CCCCCC(=O)CC#N 1458a_100000696528_100011214920 [0,2,0,0,0,0|0,0,2]=4 14217 B10R0.1 C#CCCCCC(=O)CC#N 1458a_100051588842_100010269958 [0,2,0,0,0,0|0,0,2]=4 14218 B10R0.1 C#CCCCCC(=O)CC=C 1458a_100000210193_100010269958 [0,2,0,0,0,0|0,0,2]=4 14219 B10R0.1 C#CCCCCC(=O)CC=C 1458a_100000696528_100000210623 [0,2,0,0,0,0|0,0,2]=4 14220 B10R0.1 C#CCCCCC(=O)CCC 1458a_100000211992_100010269958 [0,2,0,0,0,0|0,0,2]=4 14221 B10R0.1 C#CCCCCC(=O)CCC 1458a_100000696528_100000210303 [0,2,0,0,0,0|0,0,2]=4 14222 B10R0.1 C#CCCCCC(=O)CCF 1458a_100000696528_100011217306 [0,2,0,0,0,0|0,0,2]=4 14223 B10R0.1 C#CCCCCC(=O)CCO 1458a_100000696528_100000211926 [0,2,0,0,0,0|0,0,2]=4 14224 B10R0.1 C#CCCCCC(=O)CCO 1458a_100011216618_100010269958 [0,2,0,0,0,0|0,0,2]=4 14225 B10R0.1 C#CCCCCC(=O)COC 1458a_100000210968_100010269958 [0,2,0,0,0,0|0,0,2]=4 14226 B10R0.1 C#CCCCCC(=O)CSC 1458a_100000184570_100010269958 [0,2,0,0,0,0|0,0,2]=4 14227 B10R0.1 C#CCCCCC(=O)NCC 11a_100015525214_100000696528 [0,2,0,0,0,0|0,0,2]=4 14228 B10R0.1 C#CCCCCC(=O)NCC 240690a_100015525214_100000696528 [0,2,0,0,0,0|0,0,2]=4 14229 B10R0.1 C#CCCCCC(=O)NCC 527a_100015525214_100000696528 [0,2,0,0,0,0|0,0,2]=4 14230 B10R0.1 C#CCCCCC(=O)NNC 22a_100016993582_100000696528 [0,2,0,0,0,0|0,0,2]=4 14231 B10R0.1 C#CCN(C)CCCCCC 2230a_100000225692_100000210314 [0,2,0,0,0,0|2,0,0]=4 14232 B10R0.1 C#CCN(C)CCCCCC 2230a_106256046315_100000038162 [0,2,0,0,0,0|2,0,0]=4 14233 B10R0.1 C#CCN(C)CCCCCC 34a_100000225692_100000210314 [0,2,0,0,0,0|2,0,0]=4 14234 B10R0.1 C=CCC(=O)C/C=C/CCC 1458a_200016266809_100000210623 [0,2,0,0,0,0|0,0,2]=4 14235 B10R0.1 C=CCC(=O)C=CCCCC 1458a_100016266645_100000210623 [0,2,0,0,0,0|0,0,2]=4 14236 B10R0.1 C=CCC(=O)CC/C=C\CC 1458a_100000210193_100015370543 [0,2,0,0,0,0|0,0,2]=4 14237 B10R0.1 C=CCC(=O)CCCCC#N 1458a_100000210193_100000211819 [0,2,0,0,0,0|1,0,1]=4 14238 B10R0.1 C=CCC(=O)CCCCCC 1458a_100000210193_100000210757 [0,2,0,0,0,0|0,0,0]=2 14239 B10R0.1 C=CCC(=O)CCCCCC 1458a_100102632555_100000210623 [0,2,0,0,0,0|0,0,0]=2 14240 B10R0.1 C=CCC(=O)CCCCCF 1458a_100000210193_100000729378 [0,2,0,0,0,0|1,0,0]=3 14241 B10R0.1 C=CCC(=O)CCCCCO 1458a_100000210193_100000746330 [0,2,0,0,0,0|1,0,0]=3 14242 B10R0.1 C=CCC(=O)CCCCCO 1458a_100102619762_100000210623 [0,2,0,0,0,0|1,0,0]=3 14243 B10R0.1 C=CCC(=O)CCCCOC 1458a_100000210193_100000755781 [0,2,0,0,0,0|1,0,0]=3 14244 B10R0.1 C=CCC(=O)CCCOCC 1458a_100000210193_100012232248 [0,2,0,0,0,0|1,0,0]=3 14245 B10R0.1 C=CCC(=O)CCOCCC 1458a_100000210193_100011215938 [0,2,0,0,0,0|1,0,0]=3 14246 B10R0.1 C=CCC(=O)CCOCCO 1458a_100000210193_100011215305 [0,2,0,0,0,0|2,0,0]=4 14247 B10R0.1 C=CCC(=O)CCOCCO 1458a_100011229844_100000210623 [0,2,0,0,0,0|2,0,0]=4 14248 B10R0.1 C=CCC(=O)COCCCC 1458a_100000210193_100011995733 [0,2,0,0,0,0|1,0,0]=3 14249 B10R0.1 C=CCC(=O)COCCCC 1458a_100000757543_100000210623 [0,2,0,0,0,0|1,0,0]=3 14250 B10R0.1 C=CCC(=O)COCCOC 1458a_100000211095_100000210623 [0,2,0,0,0,0|2,0,0]=4 14251 B10R0.1 C=CCC(=O)CSCCCC 1458a_100000191162_100000210623 [0,2,0,0,0,0|1,0,0]=3 14252 B10R0.1 C=CCC(=O)NCCCCC 11a_100000209983_100000210193 [0,2,0,0,0,0|1,0,0]=3 14253 B10R0.1 C=CCC(=O)NCCCCC 1626a_100000209983_100000210193 [0,2,0,0,0,0|1,0,0]=3 14254 B10R0.1 C=CCC(=O)NCCCCC 240690a_100000209983_100000210193 [0,2,0,0,0,0|1,0,0]=3 14255 B10R0.1 C=CCC(=O)NCCCCC 527a_100000209983_100000210193 [0,2,0,0,0,0|1,0,0]=3 14256 B10R0.1 C=CCC(=O)NCCCCO 240690a_100000750430_100000210193 [0,2,0,0,0,0|2,0,0]=4 14257 B10R0.1 C=CCC(=O)NCCCCO 527a_100000750430_100000210193 [0,2,0,0,0,0|2,0,0]=4 14258 B10R0.1 C=CCC(=O)NCCCOC 1626a_100150723488_100000210193 [0,2,0,0,0,0|2,0,0]=4 14259 B10R0.1 C=CCC(=O)NCCCOC 240690a_100150723488_100000210193 [0,2,0,0,0,0|2,0,0]=4 14260 B10R0.1 C=CCC(=O)NCCCOC 527a_100150723488_100000210193 [0,2,0,0,0,0|2,0,0]=4 14261 B10R0.1 C=CCC(=O)NCCCSC 11a_100000749238_100000210193 [0,2,0,0,0,0|2,0,0]=4 14262 B10R0.1 C=CCC(=O)NCCCSC 1626a_100000749238_100000210193 [0,2,0,0,0,0|2,0,0]=4 14263 B10R0.1 C=CCC(=O)NCCCSC 240690a_100000749238_100000210193 [0,2,0,0,0,0|2,0,0]=4 14264 B10R0.1 C=CCC(=O)NCCCSC 527a_100000749238_100000210193 [0,2,0,0,0,0|2,0,0]=4 14265 B10R0.1 C=CCC(=O)NCCOCC 11a_100011200944_100000210193 [0,2,0,0,0,0|2,0,0]=4 14266 B10R0.1 C=CCC(=O)NCCOCC 1626a_102516460346_100000210193 [0,2,0,0,0,0|2,0,0]=4 14267 B10R0.1 C=CCC(=O)NCCOCC 240690a_100011200944_100000210193 [0,2,0,0,0,0|2,0,0]=4 14268 B10R0.1 C=CCC(=O)NCCOCC 527a_100011200944_100000210193 [0,2,0,0,0,0|2,0,0]=4 14269 B10R0.1 C=CCC(=O)NCCSCC 11a_100000106463_100000210193 [0,2,0,0,0,0|2,0,0]=4 14270 B10R0.1 C=CCC(=O)NCCSCC 1626a_100000106463_100000210193 [0,2,0,0,0,0|2,0,0]=4 14271 B10R0.1 C=CCC(=O)NCCSCC 240690a_100000106463_100000210193 [0,2,0,0,0,0|2,0,0]=4 14272 B10R0.1 C=CCC(=O)NCCSCC 527a_100000106463_100000210193 [0,2,0,0,0,0|2,0,0]=4 14273 B10R0.1 C=CCC(=O)NNCCCC 22a_100025702795_100000210193 [0,2,0,0,0,0|2,0,0]=4 14274 B10R0.1 C=CCCCCC(=O)C#CC 1458a_100000763181_100011215482 [0,2,0,0,0,0|0,0,2]=4 14275 B10R0.1 C=CCCCCC(=O)C=CC 1458a_100000210699_100011215482 [0,2,0,0,0,0|0,0,2]=4 14276 B10R0.1 C=CCCCCC(=O)CC#N 1458a_100011215552_100011214920 [0,2,0,0,0,0|0,0,2]=4 14277 B10R0.1 C=CCCCCC(=O)CC#N 1458a_100051588842_100011215482 [0,2,0,0,0,0|0,0,2]=4 14278 B10R0.1 C=CCCCCC(=O)CC=C 1458a_100000210193_100011215482 [0,2,0,0,0,0|0,0,2]=4 14279 B10R0.1 C=CCCCCC(=O)CC=C 1458a_100011215552_100000210623 [0,2,0,0,0,0|0,0,2]=4 14280 B10R0.1 C=CCCCCC(=O)CCC 1458a_100000211992_100011215482 [0,2,0,0,0,0|0,0,2]=4 14281 B10R0.1 C=CCCCCC(=O)CCC 1458a_100011215552_100000210303 [0,2,0,0,0,0|0,0,2]=4 14282 B10R0.1 C=CCCCCC(=O)CCF 1458a_100011215552_100011217306 [0,2,0,0,0,0|0,0,2]=4 14283 B10R0.1 C=CCCCCC(=O)CCO 1458a_100011215552_100000211926 [0,2,0,0,0,0|0,0,2]=4 14284 B10R0.1 C=CCCCCC(=O)CCO 1458a_100011216618_100011215482 [0,2,0,0,0,0|0,0,2]=4 14285 B10R0.1 C=CCCCCC(=O)COC 1458a_100000210968_100011215482 [0,2,0,0,0,0|0,0,2]=4 14286 B10R0.1 C=CCCCCC(=O)CSC 1458a_100000184570_100011215482 [0,2,0,0,0,0|0,0,2]=4 14287 B10R0.1 C=CCCCCC(=O)NCC 11a_100015525214_100011215552 [0,2,0,0,0,0|0,0,2]=4 14288 B10R0.1 C=CCCCCC(=O)NCC 240690a_100015525214_100011215552 [0,2,0,0,0,0|0,0,2]=4 14289 B10R0.1 C=CCCCCC(=O)NCC 527a_100015525214_100011215552 [0,2,0,0,0,0|0,0,2]=4 14290 B10R0.1 C=CCCCCC(=O)NNC 22a_100016993582_100011215552 [0,2,0,0,0,0|0,0,2]=4 14291 B10R0.1 C=CCN(C)CCCCCC 2230a_100000225617_100000210314 [0,2,0,0,0,0|2,0,0]=4 14292 B10R0.1 C=CCN(C)CCCCCC 2230a_106256046315_100000210623 [0,2,0,0,0,0|2,0,0]=4 14293 B10R0.1 C=CCN(C)CCCCCC 269982a_100000225617_100000210757 [0,2,0,0,0,0|2,0,0]=4 14294 B10R0.1 C=CCN(C)CCCCCC 269982a_106256046315_100000210623 [0,2,0,0,0,0|2,0,0]=4 14295 B10R0.1 C=COC(=O)CNCCCC 2230a_100000102301_100000036128 [0,2,0,0,0,0|1,0,1]=4 14296 B10R0.1 C=COC(=O)COCCCC 34a_100000210227_100000036128 [0,2,0,0,0,0|1,0,1]=4 14297 B10R0.1 C=COC(=O)CSCCCC 62a_100000036128_100000210210 [0,2,0,0,0,0|1,0,1]=4 14298 B10R0.1 C=COC(=O)CSCCCC 62a_100000210211_100000036128 [0,2,0,0,0,0|1,0,1]=4 14299 B10R0.1 CC#CC(=O)CC/C=C\CC 1458a_100000763181_100015370543 [0,2,0,0,0,0|0,0,2]=4 14300 B10R0.1 CC#CC(=O)CCCCC#N 1458a_100000763181_100000211819 [0,2,0,0,0,0|1,0,1]=4 14301 B10R0.1 CC#CC(=O)CCCCCC 1458a_100000763181_100000210757 [0,2,0,0,0,0|0,0,0]=2 14302 B10R0.1 CC#CC(=O)CCCCCF 1458a_100000763181_100000729378 [0,2,0,0,0,0|1,0,0]=3 14303 B10R0.1 CC#CC(=O)CCCCCO 1458a_100000763181_100000746330 [0,2,0,0,0,0|1,0,0]=3 14304 B10R0.1 CC#CC(=O)CCCCOC 1458a_100000763181_100000755781 [0,2,0,0,0,0|1,0,0]=3 14305 B10R0.1 CC#CC(=O)CCCOCC 1458a_100000763181_100012232248 [0,2,0,0,0,0|1,0,0]=3 14306 B10R0.1 CC#CC(=O)CCOCCC 1458a_100000763181_100011215938 [0,2,0,0,0,0|1,0,0]=3 14307 B10R0.1 CC#CC(=O)CCOCCO 1458a_100000763181_100011215305 [0,2,0,0,0,0|2,0,0]=4 14308 B10R0.1 CC#CC(=O)COCCCC 1458a_100000763181_100011995733 [0,2,0,0,0,0|1,0,0]=3 14309 B10R0.1 CC#CC(=O)NNCCCC 22a_100025702795_100000763181 [0,2,0,0,0,0|2,0,0]=4 14310 B10R0.1 CC/C=C\CCC(=O)CC#N 1458a_100051588842_100015370543 [0,2,0,0,0,0|0,0,2]=4 14311 B10R0.1 CC/C=C\CCC(=O)CCC 1458a_100000211992_100015370543 [0,2,0,0,0,0|0,0,2]=4 14312 B10R0.1 CC/C=C\CCC(=O)CCO 1458a_100011216618_100015370543 [0,2,0,0,0,0|0,0,2]=4 14313 B10R0.1 CC/C=C\CCC(=O)COC 1458a_100000210968_100015370543 [0,2,0,0,0,0|0,0,2]=4 14314 B10R0.1 CC/C=C\CCC(=O)CSC 1458a_100000184570_100015370543 [0,2,0,0,0,0|0,0,2]=4 14315 B10R0.1 CC=CC(=O)CC/C=C\CC 1458a_100000210699_100015370543 [0,2,0,0,0,0|0,0,2]=4 14316 B10R0.1 CC=CC(=O)CCCCC#N 1458a_100000210699_100000211819 [0,2,0,0,0,0|1,0,1]=4 14317 B10R0.1 CC=CC(=O)CCCCCC 1458a_100000210699_100000210757 [0,2,0,0,0,0|0,0,0]=2 14318 B10R0.1 CC=CC(=O)CCCCCF 1458a_100000210699_100000729378 [0,2,0,0,0,0|1,0,0]=3 14319 B10R0.1 CC=CC(=O)CCCCCO 1458a_100000210699_100000746330 [0,2,0,0,0,0|1,0,0]=3 14320 B10R0.1 CC=CC(=O)CCCCOC 1458a_100000210699_100000755781 [0,2,0,0,0,0|1,0,0]=3 14321 B10R0.1 CC=CC(=O)CCCOCC 1458a_100000210699_100012232248 [0,2,0,0,0,0|1,0,0]=3 14322 B10R0.1 CC=CC(=O)CCOCCC 1458a_100000210699_100011215938 [0,2,0,0,0,0|1,0,0]=3 14323 B10R0.1 CC=CC(=O)CCOCCO 1458a_100000210699_100011215305 [0,2,0,0,0,0|2,0,0]=4 14324 B10R0.1 CC=CC(=O)COCCCC 1458a_100000210699_100011995733 [0,2,0,0,0,0|1,0,0]=3 14325 B10R0.1 CC=CC(=O)NCCCCC 11a_100000209983_100000210699 [0,2,0,0,0,0|1,0,0]=3 14326 B10R0.1 CC=CC(=O)NCCCCC 1626a_100000209983_100000210699 [0,2,0,0,0,0|1,0,0]=3 14327 B10R0.1 CC=CC(=O)NCCCCC 240690a_100000209983_100000210699 [0,2,0,0,0,0|1,0,0]=3 14328 B10R0.1 CC=CC(=O)NCCCCO 240690a_100000750430_100000210699 [0,2,0,0,0,0|2,0,0]=4 14329 B10R0.1 CC=CC(=O)NCCCOC 1626a_100150723488_100000210699 [0,2,0,0,0,0|2,0,0]=4 14330 B10R0.1 CC=CC(=O)NCCCOC 240690a_100150723488_100000210699 [0,2,0,0,0,0|2,0,0]=4 14331 B10R0.1 CC=CC(=O)NCCCSC 11a_100000749238_100000210699 [0,2,0,0,0,0|2,0,0]=4 14332 B10R0.1 CC=CC(=O)NCCCSC 1626a_100000749238_100000210699 [0,2,0,0,0,0|2,0,0]=4 14333 B10R0.1 CC=CC(=O)NCCCSC 240690a_100000749238_100000210699 [0,2,0,0,0,0|2,0,0]=4 14334 B10R0.1 CC=CC(=O)NCCOCC 11a_100011200944_100000210699 [0,2,0,0,0,0|2,0,0]=4 14335 B10R0.1 CC=CC(=O)NCCOCC 1626a_102516460346_100000210699 [0,2,0,0,0,0|2,0,0]=4 14336 B10R0.1 CC=CC(=O)NCCOCC 240690a_100011200944_100000210699 [0,2,0,0,0,0|2,0,0]=4 14337 B10R0.1 CC=CC(=O)NCCSCC 11a_100000106463_100000210699 [0,2,0,0,0,0|2,0,0]=4 14338 B10R0.1 CC=CC(=O)NCCSCC 1626a_100000106463_100000210699 [0,2,0,0,0,0|2,0,0]=4 14339 B10R0.1 CC=CC(=O)NCCSCC 240690a_100000106463_100000210699 [0,2,0,0,0,0|2,0,0]=4 14340 B10R0.1 CC=CC(=O)NNCCCC 22a_100025702795_100000210699 [0,2,0,0,0,0|2,0,0]=4 14341 B10R0.1 CCC/C=C/CC(=O)CC#N 1458a_200016266809_100011214920 [0,2,0,0,0,0|0,0,2]=4 14342 B10R0.1 CCC/C=C/CC(=O)CCC 1458a_200016266809_100000210303 [0,2,0,0,0,0|0,0,2]=4 14343 B10R0.1 CCC/C=C/CC(=O)CCF 1458a_200016266809_100011217306 [0,2,0,0,0,0|0,0,2]=4 14344 B10R0.1 CCC/C=C/CC(=O)CCO 1458a_200016266809_100000211926 [0,2,0,0,0,0|0,0,2]=4 14345 B10R0.1 CCC/C=C/CC(=O)NCC 11a_100015525214_200016266809 [0,2,0,0,0,0|0,0,2]=4 14346 B10R0.1 CCC/C=C/CC(=O)NCC 240690a_100015525214_200016266809 [0,2,0,0,0,0|0,0,2]=4 14347 B10R0.1 CCC/C=C/CC(=O)NCC 527a_100015525214_200016266809 [0,2,0,0,0,0|0,0,2]=4 14348 B10R0.1 CCC/C=C/CC(=O)NNC 22a_100016993582_200016266809 [0,2,0,0,0,0|0,0,2]=4 14349 B10R0.1 CCCC(=O)CCCCC#N 1458a_100000211992_100000211819 [0,2,0,0,0,0|1,0,1]=4 14350 B10R0.1 CCCC(=O)CCCCCF 1458a_100000211992_100000729378 [0,2,0,0,0,0|1,0,0]=3 14351 B10R0.1 CCCC(=O)CCCCCO 1458a_100000211992_100000746330 [0,2,0,0,0,0|1,0,0]=3 14352 B10R0.1 CCCC(=O)CCCCCO 1458a_100102619762_100000210303 [0,2,0,0,0,0|1,0,0]=3 14353 B10R0.1 CCCC(=O)CCCCOC 1458a_100000211992_100000755781 [0,2,0,0,0,0|1,0,0]=3 14354 B10R0.1 CCCC(=O)CCCOCC 1458a_100000211992_100012232248 [0,2,0,0,0,0|1,0,0]=3 14355 B10R0.1 CCCC(=O)CCOCCO 1458a_100000211992_100011215305 [0,2,0,0,0,0|2,0,0]=4 14356 B10R0.1 CCCC(=O)CCOCCO 1458a_100011229844_100000210303 [0,2,0,0,0,0|2,0,0]=4 14357 B10R0.1 CCCC(=O)CNCCCF 2230a_100015189416_100000747444 [0,2,0,0,0,0|2,0,0]=4 14358 B10R0.1 CCCC(=O)CNCCOC 2230a_100000209980_100000747444 [0,2,0,0,0,0|2,0,0]=4 14359 B10R0.1 CCCC(=O)CNCCSC 2230a_100020590264_100000747444 [0,2,0,0,0,0|2,0,0]=4 14360 B10R0.1 CCCC(=O)COCCOC 1458a_100000211095_100000210303 [0,2,0,0,0,0|2,0,0]=4 14361 B10R0.1 CCCC(=O)COCCSC 7a_100000230434_100000747444 [0,2,0,0,0,0|2,0,0]=4 14362 B10R0.1 CCCC(=O)CSCCCF 62a_100000747444_100011934791 [0,2,0,0,0,0|2,0,0]=4 14363 B10R0.1 CCCC(=O)CSCCCF 62a_100011934791_100000747444 [0,2,0,0,0,0|2,0,0]=4 14364 B10R0.1 CCCC(=O)CSCCCO 62a_100000747444_100011215043 [0,2,0,0,0,0|2,0,0]=4 14365 B10R0.1 CCCC(=O)CSCCCO 62a_100011215043_100000747444 [0,2,0,0,0,0|2,0,0]=4 14366 B10R0.1 CCCC(=O)CSCCOC 62a_100000233755_100000747444 [0,2,0,0,0,0|2,0,0]=4 14367 B10R0.1 CCCC(=O)CSCCOC 62a_100000747444_100000233755 [0,2,0,0,0,0|2,0,0]=4 14368 B10R0.1 CCCC(=O)CSCCSC 62a_100000212216_100000747444 [0,2,0,0,0,0|2,0,0]=4 14369 B10R0.1 CCCC(=O)CSCCSC 62a_100000747444_100000751147 [0,2,0,0,0,0|2,0,0]=4 14370 B10R0.1 CCCC(=O)CSCOCC 62a_100000739092_100000747444 [0,2,0,0,0,0|2,0,0]=4 14371 B10R0.1 CCCC(=O)CSCOCC 62a_100000747444_100000739092 [0,2,0,0,0,0|2,0,0]=4 14372 B10R0.1 CCCC(=O)NCCCCO 240690a_100000750430_100000211992 [0,2,0,0,0,0|2,0,0]=4 14373 B10R0.1 CCCC(=O)NCCCCO 527a_100000750430_100000211992 [0,2,0,0,0,0|2,0,0]=4 14374 B10R0.1 CCCC(=O)NCCCOC 1626a_100150723488_100000211992 [0,2,0,0,0,0|2,0,0]=4 14375 B10R0.1 CCCC(=O)NCCCOC 240690a_100150723488_100000211992 [0,2,0,0,0,0|2,0,0]=4 14376 B10R0.1 CCCC(=O)NCCCOC 527a_100150723488_100000211992 [0,2,0,0,0,0|2,0,0]=4 14377 B10R0.1 CCCC(=O)NCCCSC 11a_100000749238_100000211992 [0,2,0,0,0,0|2,0,0]=4 14378 B10R0.1 CCCC(=O)NCCCSC 1626a_100000749238_100000211992 [0,2,0,0,0,0|2,0,0]=4 14379 B10R0.1 CCCC(=O)NCCCSC 240690a_100000749238_100000211992 [0,2,0,0,0,0|2,0,0]=4 14380 B10R0.1 CCCC(=O)NCCCSC 527a_100000749238_100000211992 [0,2,0,0,0,0|2,0,0]=4 14381 B10R0.1 CCCC(=O)NCCOCC 11a_100011200944_100000211992 [0,2,0,0,0,0|2,0,0]=4 14382 B10R0.1 CCCC(=O)NCCOCC 1626a_102516460346_100000211992 [0,2,0,0,0,0|2,0,0]=4 14383 B10R0.1 CCCC(=O)NCCOCC 240690a_100011200944_100000211992 [0,2,0,0,0,0|2,0,0]=4 14384 B10R0.1 CCCC(=O)NCCOCC 527a_100011200944_100000211992 [0,2,0,0,0,0|2,0,0]=4 14385 B10R0.1 CCCC(=O)NCCSCC 11a_100000106463_100000211992 [0,2,0,0,0,0|2,0,0]=4 14386 B10R0.1 CCCC(=O)NCCSCC 1626a_100000106463_100000211992 [0,2,0,0,0,0|2,0,0]=4 14387 B10R0.1 CCCC(=O)NCCSCC 240690a_100000106463_100000211992 [0,2,0,0,0,0|2,0,0]=4 14388 B10R0.1 CCCC(=O)NCCSCC 527a_100000106463_100000211992 [0,2,0,0,0,0|2,0,0]=4 14389 B10R0.1 CCCCC=CC(=O)CC#N 1458a_100016266645_100011214920 [0,2,0,0,0,0|0,0,2]=4 14390 B10R0.1 CCCCC=CC(=O)CCC 1458a_100016266645_100000210303 [0,2,0,0,0,0|0,0,2]=4 14391 B10R0.1 CCCCC=CC(=O)CCF 1458a_100016266645_100011217306 [0,2,0,0,0,0|0,0,2]=4 14392 B10R0.1 CCCCC=CC(=O)CCO 1458a_100016266645_100000211926 [0,2,0,0,0,0|0,0,2]=4 14393 B10R0.1 CCCCC=CC(=O)NCC 11a_100015525214_100016266645 [0,2,0,0,0,0|0,0,2]=4 14394 B10R0.1 CCCCC=CC(=O)NCC 240690a_100015525214_100016266645 [0,2,0,0,0,0|0,0,2]=4 14395 B10R0.1 CCCCC=CC(=O)NNC 22a_100016993582_100016266645 [0,2,0,0,0,0|0,0,2]=4 14396 B10R0.1 CCCCCCC(=O)C=CBr 1458a_100016273825_100000210757 [0,2,0,0,0,0|0,0,1]=3 14397 B10R0.1 CCCCCCC(=O)C=CCl 1458a_200016279998_100000210757 [0,2,0,0,0,0|0,0,1]=3 14398 B10R0.1 CCCCCCC(=O)C=CI 1458a_100016256311_100000210757 [0,2,0,0,0,0|0,0,1]=3 14399 B10R0.1 CCCCCCC(=O)CC#N 1458a_100051588842_100000210757 [0,2,0,0,0,0|0,0,0]=2 14400 B10R0.1 CCCCCCC(=O)CC#N 1458a_100102632555_100011214920 [0,2,0,0,0,0|0,0,0]=2 14401 B10R0.1 CCCCCCC(=O)CCC 1458a_100000211992_100000210757 [0,2,0,0,0,0|0,0,0]=2 14402 B10R0.1 CCCCCCC(=O)CCC 1458a_100102632555_100000210303 [0,2,0,0,0,0|0,0,0]=2 14403 B10R0.1 CCCCCCC(=O)CCF 1458a_100102632555_100011217306 [0,2,0,0,0,0|0,0,0]=2 14404 B10R0.1 CCCCCCC(=O)CCO 1458a_100011216618_100000210757 [0,2,0,0,0,0|0,0,0]=2 14405 B10R0.1 CCCCCCC(=O)CCO 1458a_100102632555_100000211926 [0,2,0,0,0,0|0,0,0]=2 14406 B10R0.1 CCCCCCC(=O)COC 1458a_100000210968_100000210757 [0,2,0,0,0,0|0,0,0]=2 14407 B10R0.1 CCCCCCC(=O)CSC 1458a_100000184570_100000210757 [0,2,0,0,0,0|0,0,0]=2 14408 B10R0.1 CCCCCCC(=O)NCC 11a_100015525214_100102632555 [0,2,0,0,0,0|0,0,0]=2 14409 B10R0.1 CCCCCCC(=O)NCC 240690a_100015525214_100102632555 [0,2,0,0,0,0|0,0,0]=2 14410 B10R0.1 CCCCCCC(=O)NCC 527a_100015525214_100102632555 [0,2,0,0,0,0|0,0,0]=2 14411 B10R0.1 CCCCCCC(=O)NNC 22a_100016993582_100102632555 [0,2,0,0,0,0|0,0,0]=2 14412 B10R0.1 CCCCCCC(C)NCC 2230a_100000210919_100000210202 [0,2,0,0,0,0|1,0,1]=4 14413 B10R0.1 CCCCCCC(C)NCC 2230a_100015525214_100011215978 [0,2,0,0,0,0|1,0,1]=4 14414 B10R0.1 CCCCCCC(C)NCC 270004a_100015525214_100000210826 [0,2,0,0,0,0|1,0,1]=4 14415 B10R0.1 CCCCCCC(C)NCC 34a_100000210919_100000210202 [0,2,0,0,0,0|1,0,1]=4 14416 B10R0.1 CCCCCCC(C)NCF 34a_100000210919_100015361967 [0,2,0,0,0,0|1,0,1]=4 14417 B10R0.1 CCCCCCC(C)OCC 34a_100000210265_100000210202 [0,2,0,0,0,0|0,0,2]=4 14418 B10R0.1 CCCCCCC(C)OCC 34a_100121572206_100011215978 [0,2,0,0,0,0|0,0,2]=4 14419 B10R0.1 CCCCCCC(C)OCC 7a_100000210265_100000210202 [0,2,0,0,0,0|0,0,2]=4 14420 B10R0.1 CCCCCCC(C)OCF 34a_100000210265_100015361967 [0,2,0,0,0,0|0,0,2]=4 14421 B10R0.1 CCCCCCC(C)OCF 7a_100000210265_100015361967 [0,2,0,0,0,0|0,0,2]=4 14422 B10R0.1 CCCCCCC(C)SCC 62a_100000210202_100011215978 [0,2,0,0,0,0|0,1,1]=4 14423 B10R0.1 CCCCCCC(C)SCC 62a_100011215978_100000210202 [0,2,0,0,0,0|0,1,1]=4 14424 B10R0.1 CCCCCCC(C)SCF 62a_100011215978_100015361967 [0,2,0,0,0,0|0,1,1]=4 14425 B10R0.1 CCCCCCC(C)SCF 62a_100015361967_100011215978 [0,2,0,0,0,0|0,1,1]=4 14426 B10R0.1 CCCCCCN(C)CC#N 2230a_100000748184_100000210314 [0,2,0,0,0,0|2,0,0]=4 14427 B10R0.1 CCCCCCN(C)CC#N 2230a_106256046315_100011215382 [0,2,0,0,0,0|2,0,0]=4 14428 B10R0.1 CCCCCCN(C)CC#N 269982a_106256046315_100011214920 [0,2,0,0,0,0|2,0,0]=4 14429 B10R0.1 CCCCCCN(C)CC=O 2230a_106256046315_200015260668 [0,2,0,0,0,0|1,0,0]=3 14430 B10R0.1 CCCCCCN(C)CC=O 269982a_106256046315_200015260668 [0,2,0,0,0,0|1,0,0]=3 14431 B10R0.1 CCCCCCN(C)CCC 2230a_100000747261_100000210314 [0,2,0,0,0,0|2,0,0]=4 14432 B10R0.1 CCCCCCN(C)CCC 2230a_106256046315_100000210303 [0,2,0,0,0,0|2,0,0]=4 14433 B10R0.1 CCCCCCN(C)CCC 269982a_100000747261_100000210757 [0,2,0,0,0,0|2,0,0]=4 14434 B10R0.1 CCCCCCN(C)CCC 269982a_106256046315_100000210303 [0,2,0,0,0,0|2,0,0]=4 14435 B10R0.1 CCCCCCN(C)CCF 2230a_106256046315_100011217306 [0,2,0,0,0,0|2,0,0]=4 14436 B10R0.1 CCCCCCN(C)CCF 269982a_106256046315_100011217306 [0,2,0,0,0,0|2,0,0]=4 14437 B10R0.1 CCCCCCN(C)CCO 2230a_100000210263_100000210314 [0,2,0,0,0,0|1,0,1]=4 14438 B10R0.1 CCCCCCN(C)CCO 2230a_106256046315_100000211926 [0,2,0,0,0,0|1,0,1]=4 14439 B10R0.1 CCCCCCN(C)CCO 269982a_100000210263_100000210757 [0,2,0,0,0,0|1,0,1]=4 14440 B10R0.1 CCCCCCN(C)CCO 269982a_106256046315_100000211926 [0,2,0,0,0,0|1,0,1]=4 14441 B10R0.1 CCCCCCN(C)COC 2230a_106256046315_100000766300 [0,2,0,0,0,0|1,0,1]=4 14442 B10R0.1 CCCCCCN(C)COC 269982a_106256046315_100000766300 [0,2,0,0,0,0|1,0,1]=4 14443 B10R0.1 CCCCCCN(C)CSC 2230a_106256046315_100011218213 [0,2,0,0,0,0|1,1,0]=4 14444 B10R0.1 CCCCCCN(C)CSC 269982a_106256046315_100011218213 [0,2,0,0,0,0|1,1,0]=4 14445 B10R0.1 CCCCCNC(=O)C=CBr 1626a_100000209983_100016273825 [0,2,0,0,0,0|1,0,1]=4 14446 B10R0.1 CCCCCNC(=O)C=CBr 240690a_100000209983_100016273825 [0,2,0,0,0,0|1,0,1]=4 14447 B10R0.1 CCCCCNC(=O)C=CCl 11a_100000209983_200016279998 [0,2,0,0,0,0|1,0,1]=4 14448 B10R0.1 CCCCCNC(=O)C=CCl 1626a_100000209983_200016279998 [0,2,0,0,0,0|1,0,1]=4 14449 B10R0.1 CCCCCNC(=O)C=CCl 240690a_100000209983_200016279998 [0,2,0,0,0,0|1,0,1]=4 14450 B10R0.1 CCCCCNC(=O)C=CI 1626a_100000209983_100016256311 [0,2,0,0,0,0|1,0,1]=4 14451 B10R0.1 CCCCCNC(=O)CC#N 1626a_100000209983_100051588842 [0,2,0,0,0,0|1,0,0]=3 14452 B10R0.1 CCCCCNC(=O)CC#N 240690a_100000209983_100051588842 [0,2,0,0,0,0|1,0,0]=3 14453 B10R0.1 CCCCCNC(=O)CCC 11a_100000209983_100000211992 [0,2,0,0,0,0|1,0,0]=3 14454 B10R0.1 CCCCCNC(=O)CCC 1626a_100000209983_100000211992 [0,2,0,0,0,0|1,0,0]=3 14455 B10R0.1 CCCCCNC(=O)CCC 240690a_100000209983_100000211992 [0,2,0,0,0,0|1,0,0]=3 14456 B10R0.1 CCCCCNC(=O)CCC 527a_100000209983_100000211992 [0,2,0,0,0,0|1,0,0]=3 14457 B10R0.1 CCCCCNC(=O)CCO 240690a_100000209983_100011216618 [0,2,0,0,0,0|1,0,0]=3 14458 B10R0.1 CCCCCNC(=O)CNC 2230a_106832991635_100000230301 [0,2,0,0,0,0|1,0,0]=3 14459 B10R0.1 CCCCCNC(=O)CNC 34a_100102657272_100000230301 [0,2,0,0,0,0|1,0,0]=3 14460 B10R0.1 CCCCCNC(=O)CNC 7a_106832991635_100000230301 [0,2,0,0,0,0|1,0,0]=3 14461 B10R0.1 CCCCCNC(=O)COC 11a_100000209983_100000210968 [0,2,0,0,0,0|1,0,0]=3 14462 B10R0.1 CCCCCNC(=O)COC 1626a_100000209983_100000210968 [0,2,0,0,0,0|1,0,0]=3 14463 B10R0.1 CCCCCNC(=O)COC 240690a_100000209983_100000210968 [0,2,0,0,0,0|1,0,0]=3 14464 B10R0.1 CCCCCNC(=O)COC 34a_100138415774_100000230301 [0,2,0,0,0,0|1,0,0]=3 14465 B10R0.1 CCCCCNC(=O)COC 527a_100000209983_100000210968 [0,2,0,0,0,0|1,0,0]=3 14466 B10R0.1 CCCCCNC(=O)CSC 11a_100000209983_100000184570 [0,2,0,0,0,0|1,0,0]=3 14467 B10R0.1 CCCCCNC(=O)CSC 1626a_100000209983_100000184570 [0,2,0,0,0,0|1,0,0]=3 14468 B10R0.1 CCCCCNC(=O)CSC 240690a_100000209983_100000184570 [0,2,0,0,0,0|1,0,0]=3 14469 B10R0.1 CCCCCNC(=O)CSC 527a_100000209983_100000184570 [0,2,0,0,0,0|1,0,0]=3 14470 B10R0.1 CCCCCNC(=O)CSC 62a_100000230301_200000210301 [0,2,0,0,0,0|1,0,0]=3 14471 B10R0.1 CCCCCNC(=O)CSC 62a_200000210301_100000230301 [0,2,0,0,0,0|1,0,0]=3 14472 B10R0.1 CCCCCNC(=O)CS[13CH3] 62a_100000230301_200025704644 [0,2,0,0,0,0|1,0,0]=3 14473 B10R0.1 CCCCCNC(=O)CS[13CH3] 62a_200025704644_100000230301 [0,2,0,0,0,0|1,0,0]=3 14474 B10R0.1 CCCCCNC(=O)NCC 2708a_100000209983_100015525214 [0,2,0,0,0,0|1,0,0]=3 14475 B10R0.1 CCCCCNC(=O)NCC 2708a_100015525214_100000209983 [0,2,0,0,0,0|1,0,0]=3 14476 B10R0.1 CCCCCNC(=O)NCC 273464a_100000209983_100015525214 [0,2,0,0,0,0|1,0,0]=3 14477 B10R0.1 CCCCCNC(=O)NCC 273464a_100015525214_100000209983 [0,2,0,0,0,0|1,0,0]=3 14478 B10R0.1 CCCCCNC(=O)NCC 512a_100000209983_100015525214 [0,2,0,0,0,0|1,0,0]=3 14479 B10R0.1 CCCCCNC(=O)NCC 512a_100015525214_100000209983 [0,2,0,0,0,0|1,0,0]=3 14480 B10R0.1 CCCCCNC(=O)NNC 273464a_100000209983_100016993582 [0,2,0,0,0,0|1,0,0]=3 14481 B10R0.1 CCCCCNC(=O)NNC 512a_100000209983_100016993582 [0,2,0,0,0,0|1,0,0]=3 14482 B10R0.1 CCCCCNC(=O)NNC 512a_100016993582_100000209983 [0,2,0,0,0,0|1,0,0]=3 14483 B10R0.1 CCCCNCC(=O)CCC 2230a_100000102301_100000747444 [0,2,0,0,0,0|1,0,0]=3 14484 B10R0.1 CCCCNCC(=O)CCC 7a_106832991798_100000747444 [0,2,0,0,0,0|1,0,0]=3 14485 B10R0.1 CCCCNCC(=O)NCC 2230a_100000102301_100000183381 [0,2,0,0,0,0|1,0,0]=3 14486 B10R0.1 CCCCNCC(=O)NCC 2230a_100016988866_100000210211 [0,2,0,0,0,0|1,0,0]=3 14487 B10R0.1 CCCCNCC(=O)NCC 7a_106832991798_100000183381 [0,2,0,0,0,0|1,0,0]=3 14488 B10R0.1 CCCCNCC(=O)NCO 2230a_100000102301_100000185155 [0,2,0,0,0,0|1,0,0]=3 14489 B10R0.1 CCCCNCC(=O)NCO 7a_106832991798_100000185155 [0,2,0,0,0,0|1,0,0]=3 14490 B10R0.1 CCCCNCC(=O)OCC 2230a_100000102301_100000188475 [0,2,0,0,0,0|1,0,0]=3 14491 B10R0.1 CCCCNCC(=O)OCC 7a_106832991798_100000188475 [0,2,0,0,0,0|1,0,0]=3 14492 B10R0.1 CCCCNNC(=O)CC#N 22a_100025702795_100051588842 [0,2,0,0,0,0|2,0,0]=4 14493 B10R0.1 CCCCNNC(=O)CCC 22a_100025702795_100000211992 [0,2,0,0,0,0|2,0,0]=4 14494 B10R0.1 CCCCNNC(=O)CCO 22a_100025702795_100011216618 [0,2,0,0,0,0|2,0,0]=4 14495 B10R0.1 CCCCNNC(=O)COC 22a_100025702795_100000210968 [0,2,0,0,0,0|2,0,0]=4 14496 B10R0.1 CCCCNNC(=O)CSC 22a_100025702795_100000184570 [0,2,0,0,0,0|2,0,0]=4 14497 B10R0.1 CCCCNNC(=O)NCC 273464a_100015525214_100025702795 [0,2,0,0,0,0|2,0,0]=4 14498 B10R0.1 CCCCNNC(=O)NCC 512a_100015525214_100025702795 [0,2,0,0,0,0|2,0,0]=4 14499 B10R0.1 CCCCNNC(=O)NCC 512a_100025702795_100015525214 [0,2,0,0,0,0|2,0,0]=4 14500 B10R0.1 CCCCNNC(=O)NNC 512a_100016993582_100025702795 [0,2,0,0,0,0|2,0,0]=4 14501 B10R0.1 CCCCNNC(=O)NNC 512a_100025702795_100016993582 [0,2,0,0,0,0|2,0,0]=4 14502 B10R0.1 CCCCOCC(=O)C=CBr 1458a_100016273825_100011995733 [0,2,0,0,0,0|1,0,1]=4 14503 B10R0.1 CCCCOCC(=O)C=CCl 1458a_200016279998_100011995733 [0,2,0,0,0,0|1,0,1]=4 14504 B10R0.1 CCCCOCC(=O)C=CI 1458a_100016256311_100011995733 [0,2,0,0,0,0|1,0,1]=4 14505 B10R0.1 CCCCOCC(=O)CC#N 1458a_100000757543_100011214920 [0,2,0,0,0,0|1,0,0]=3 14506 B10R0.1 CCCCOCC(=O)CC#N 1458a_100051588842_100011995733 [0,2,0,0,0,0|1,0,0]=3 14507 B10R0.1 CCCCOCC(=O)CCC 1458a_100000211992_100011995733 [0,2,0,0,0,0|1,0,0]=3 14508 B10R0.1 CCCCOCC(=O)CCC 1458a_100000757543_100000210303 [0,2,0,0,0,0|1,0,0]=3 14509 B10R0.1 CCCCOCC(=O)CCC 7a_100000210227_100000747444 [0,2,0,0,0,0|1,0,0]=3 14510 B10R0.1 CCCCOCC(=O)CCF 1458a_100000757543_100011217306 [0,2,0,0,0,0|1,0,0]=3 14511 B10R0.1 CCCCOCC(=O)CCO 1458a_100000757543_100000211926 [0,2,0,0,0,0|1,0,0]=3 14512 B10R0.1 CCCCOCC(=O)CCO 1458a_100011216618_100011995733 [0,2,0,0,0,0|1,0,0]=3 14513 B10R0.1 CCCCOCC(=O)COC 1458a_100000210968_100011995733 [0,2,0,0,0,0|1,0,0]=3 14514 B10R0.1 CCCCOCC(=O)CSC 1458a_100000184570_100011995733 [0,2,0,0,0,0|1,0,0]=3 14515 B10R0.1 CCCCOCC(=O)NCC 11a_100015525214_100000757543 [0,2,0,0,0,0|1,0,0]=3 14516 B10R0.1 CCCCOCC(=O)NCC 240690a_100015525214_100000757543 [0,2,0,0,0,0|1,0,0]=3 14517 B10R0.1 CCCCOCC(=O)NCC 34a_100000210227_100000183381 [0,2,0,0,0,0|1,0,0]=3 14518 B10R0.1 CCCCOCC(=O)NCC 527a_100015525214_100000757543 [0,2,0,0,0,0|1,0,0]=3 14519 B10R0.1 CCCCOCC(=O)NCC 7a_100000210227_100000183381 [0,2,0,0,0,0|1,0,0]=3 14520 B10R0.1 CCCCOCC(=O)NCO 34a_100000210227_100000185155 [0,2,0,0,0,0|1,0,0]=3 14521 B10R0.1 CCCCOCC(=O)NCO 7a_100000210227_100000185155 [0,2,0,0,0,0|1,0,0]=3 14522 B10R0.1 CCCCOCC(=O)NNC 22a_100016993582_100000757543 [0,2,0,0,0,0|1,0,0]=3 14523 B10R0.1 CCCCOCC(=O)OCC 34a_100000210227_100000188475 [0,2,0,0,0,0|1,0,0]=3 14524 B10R0.1 CCCCOCC(=O)OCC 7a_100000210227_100000188475 [0,2,0,0,0,0|1,0,0]=3 14525 B10R0.1 CCCCSCC(=O)CC#N 1458a_100000191162_100011214920 [0,2,0,0,0,0|1,0,0]=3 14526 B10R0.1 CCCCSCC(=O)CCC 1458a_100000191162_100000210303 [0,2,0,0,0,0|1,0,0]=3 14527 B10R0.1 CCCCSCC(=O)CCC 62a_100000210211_100000747444 [0,2,0,0,0,0|1,0,0]=3 14528 B10R0.1 CCCCSCC(=O)CCC 62a_100000747444_100000210210 [0,2,0,0,0,0|1,0,0]=3 14529 B10R0.1 CCCCSCC(=O)CCF 1458a_100000191162_100011217306 [0,2,0,0,0,0|1,0,0]=3 14530 B10R0.1 CCCCSCC(=O)CCO 1458a_100000191162_100000211926 [0,2,0,0,0,0|1,0,0]=3 14531 B10R0.1 CCCCSCC(=O)NCC 11a_100015525214_100000191162 [0,2,0,0,0,0|1,0,0]=3 14532 B10R0.1 CCCCSCC(=O)NCC 240690a_100015525214_100000191162 [0,2,0,0,0,0|1,0,0]=3 14533 B10R0.1 CCCCSCC(=O)NCC 527a_100015525214_100000191162 [0,2,0,0,0,0|1,0,0]=3 14534 B10R0.1 CCCCSCC(=O)NCC 62a_100000183381_100000210210 [0,2,0,0,0,0|1,0,0]=3 14535 B10R0.1 CCCCSCC(=O)NCC 62a_100000210211_100000183381 [0,2,0,0,0,0|1,0,0]=3 14536 B10R0.1 CCCCSCC(=O)NCO 62a_100000185155_100000210210 [0,2,0,0,0,0|1,0,0]=3 14537 B10R0.1 CCCCSCC(=O)NCO 62a_100000210211_100000185155 [0,2,0,0,0,0|1,0,0]=3 14538 B10R0.1 CCCCSCC(=O)NNC 22a_100016993582_100000191162 [0,2,0,0,0,0|1,0,0]=3 14539 B10R0.1 CCCCSCC(=O)OCC 62a_100000188475_100000210210 [0,2,0,0,0,0|1,0,0]=3 14540 B10R0.1 CCCCSCC(=O)OCC 62a_100000210211_100000188475 [0,2,0,0,0,0|1,0,0]=3 14541 B10R0.1 CCCNCCC(=O)NCC 34a_100025743525_100000210303 [0,2,0,0,0,0|1,0,0]=3 14542 B10R0.1 CCCOCCC(=O)C=CBr 1458a_100016273825_100011215938 [0,2,0,0,0,0|1,0,1]=4 14543 B10R0.1 CCCOCCC(=O)C=CCl 1458a_200016279998_100011215938 [0,2,0,0,0,0|1,0,1]=4 14544 B10R0.1 CCCOCCC(=O)C=CI 1458a_100016256311_100011215938 [0,2,0,0,0,0|1,0,1]=4 14545 B10R0.1 CCCOCCC(=O)CC#N 1458a_100051588842_100011215938 [0,2,0,0,0,0|1,0,0]=3 14546 B10R0.1 CCCOCCC(=O)CCC 1458a_100000211992_100011215938 [0,2,0,0,0,0|1,0,0]=3 14547 B10R0.1 CCCOCCC(=O)CCO 1458a_100011216618_100011215938 [0,2,0,0,0,0|1,0,0]=3 14548 B10R0.1 CCCOCCC(=O)COC 1458a_100000210968_100011215938 [0,2,0,0,0,0|1,0,0]=3 14549 B10R0.1 CCCOCCC(=O)CSC 1458a_100000184570_100011215938 [0,2,0,0,0,0|1,0,0]=3 14550 B10R0.1 CCCOCCC(=O)OCC 34a_100000210258_100000765890 [0,2,0,0,0,0|1,0,0]=3 14551 B10R0.1 CCCOCOC(=O)CCC 34a_100000210258_100000034017 [0,2,0,0,0,0|2,0,0]=4 14552 B10R0.1 CCCSCCC(=O)NCC 62a_100000210303_100000737597 [0,2,0,0,0,0|1,0,0]=3 14553 B10R0.1 CCCSCCC(=O)NCC 62a_100000737597_100000210303 [0,2,0,0,0,0|1,0,0]=3 14554 B10R0.1 CCCSCCC(=O)OCC 62a_100000210303_100000765890 [0,2,0,0,0,0|1,0,0]=3 14555 B10R0.1 CCCSCCC(=O)OCC 62a_100000765890_100000210303 [0,2,0,0,0,0|1,0,0]=3 14556 B10R0.1 CCCSCOC(=O)CCC 62a_100000210303_100000034017 [0,2,0,0,0,0|2,0,0]=4 14557 B10R0.1 CCCSCOC(=O)OCC 62a_100000210303_100000075025 [0,2,0,0,0,0|2,0,0]=4 14558 B10R0.1 CCNC(=O)CCCCCO 240690a_100015525214_100102619762 [0,2,0,0,0,0|1,0,0]=3 14559 B10R0.1 CCNC(=O)CCNCCF 34a_100025743525_100011217306 [0,2,0,0,0,0|2,0,0]=4 14560 B10R0.1 CCNC(=O)CCNCCO 2230a_100016997473_100000737597 [0,2,0,0,0,0|2,0,0]=4 14561 B10R0.1 CCNC(=O)CCNCCO 34a_100025743525_100000211926 [0,2,0,0,0,0|2,0,0]=4 14562 B10R0.1 CCNC(=O)CCNCSC 34a_100025743525_100011218213 [0,2,0,0,0,0|2,0,0]=4 14563 B10R0.1 CCNC(=O)CCOCCO 240690a_100015525214_100011229844 [0,2,0,0,0,0|2,0,0]=4 14564 B10R0.1 CCNC(=O)CCSCCF 62a_100000737597_100011217306 [0,2,0,0,0,0|2,0,0]=4 14565 B10R0.1 CCNC(=O)CCSCCF 62a_100011217306_100000737597 [0,2,0,0,0,0|2,0,0]=4 14566 B10R0.1 CCNC(=O)CCSCCO 62a_100000211926_100000737597 [0,2,0,0,0,0|2,0,0]=4 14567 B10R0.1 CCNC(=O)CCSCCO 62a_100000737597_100000211926 [0,2,0,0,0,0|2,0,0]=4 14568 B10R0.1 CCNC(=O)CCSCOC 62a_100000737597_100000766300 [0,2,0,0,0,0|2,0,0]=4 14569 B10R0.1 CCNC(=O)CCSCOC 62a_100000766300_100000737597 [0,2,0,0,0,0|2,0,0]=4 14570 B10R0.1 CCNC(=O)CCSCSC 62a_100000737597_100011218213 [0,2,0,0,0,0|2,0,0]=4 14571 B10R0.1 CCNC(=O)CCSCSC 62a_100011218213_100000737597 [0,2,0,0,0,0|2,0,0]=4 14572 B10R0.1 CCNC(=O)CNCCCF 2230a_100015189416_100000183381 [0,2,0,0,0,0|2,0,0]=4 14573 B10R0.1 CCNC(=O)CNCCCF 2230a_100016988866_100011934791 [0,2,0,0,0,0|2,0,0]=4 14574 B10R0.1 CCNC(=O)CNCCCF 34a_100015189416_100000183381 [0,2,0,0,0,0|2,0,0]=4 14575 B10R0.1 CCNC(=O)CNCCCO 2230a_100016988866_100000230001 [0,2,0,0,0,0|2,0,0]=4 14576 B10R0.1 CCNC(=O)CNCCOC 2230a_100000209980_100000183381 [0,2,0,0,0,0|2,0,0]=4 14577 B10R0.1 CCNC(=O)CNCCOC 2230a_100016988866_100011201679 [0,2,0,0,0,0|2,0,0]=4 14578 B10R0.1 CCNC(=O)CNCCSC 2230a_100016988866_100000751147 [0,2,0,0,0,0|2,0,0]=4 14579 B10R0.1 CCNC(=O)CNCCSC 2230a_100020590264_100000183381 [0,2,0,0,0,0|2,0,0]=4 14580 B10R0.1 CCNC(=O)COCCCBr 34a_100011217188_100000183381 [0,2,0,0,0,0|2,0,0]=4 14581 B10R0.1 CCNC(=O)COCCCCl 34a_100000230001_100000183381 [0,2,0,0,0,0|2,0,0]=4 14582 B10R0.1 CCNC(=O)COCCCF 34a_100000759539_100000183381 [0,2,0,0,0,0|2,0,0]=4 14583 B10R0.1 CCNC(=O)COCCCN 34a_100000182051_100000183381 [0,2,0,0,0,0|2,0,0]=4 14584 B10R0.1 CCNC(=O)COCCOC 11a_100015525214_100000211095 [0,2,0,0,0,0|2,0,0]=4 14585 B10R0.1 CCNC(=O)COCCOC 240690a_100015525214_100000211095 [0,2,0,0,0,0|2,0,0]=4 14586 B10R0.1 CCNC(=O)COCCOC 34a_100000210237_100000183381 [0,2,0,0,0,0|2,0,0]=4 14587 B10R0.1 CCNC(=O)COCCOC 527a_100015525214_100000211095 [0,2,0,0,0,0|2,0,0]=4 14588 B10R0.1 CCNC(=O)COCCSC 34a_100000230434_100000183381 [0,2,0,0,0,0|2,0,0]=4 14589 B10R0.1 CCNC(=O)COCCSC 7a_100000230434_100000183381 [0,2,0,0,0,0|2,0,0]=4 14590 B10R0.1 CCNC(=O)CSCCCF 62a_100000183381_100011934791 [0,2,0,0,0,0|2,0,0]=4 14591 B10R0.1 CCNC(=O)CSCCCF 62a_100011934791_100000183381 [0,2,0,0,0,0|2,0,0]=4 14592 B10R0.1 CCNC(=O)CSCCCO 62a_100000183381_100011215043 [0,2,0,0,0,0|2,0,0]=4 14593 B10R0.1 CCNC(=O)CSCCCO 62a_100011215043_100000183381 [0,2,0,0,0,0|2,0,0]=4 14594 B10R0.1 CCNC(=O)CSCCOC 62a_100000183381_100000233755 [0,2,0,0,0,0|2,0,0]=4 14595 B10R0.1 CCNC(=O)CSCCOC 62a_100000233755_100000183381 [0,2,0,0,0,0|2,0,0]=4 14596 B10R0.1 CCNC(=O)CSCCSC 62a_100000183381_100000751147 [0,2,0,0,0,0|2,0,0]=4 14597 B10R0.1 CCNC(=O)CSCCSC 62a_100000212216_100000183381 [0,2,0,0,0,0|2,0,0]=4 14598 B10R0.1 CCNC(=O)CSCOCC 62a_100000183381_100000739092 [0,2,0,0,0,0|2,0,0]=4 14599 B10R0.1 CCNC(=O)CSCOCC 62a_100000739092_100000183381 [0,2,0,0,0,0|2,0,0]=4 14600 B10R0.1 CCNC(=O)NCCCCO 2708a_100000750430_100015525214 [0,2,0,0,0,0|2,0,0]=4 14601 B10R0.1 CCNC(=O)NCCCCO 2708a_100015525214_100000750430 [0,2,0,0,0,0|2,0,0]=4 14602 B10R0.1 CCNC(=O)NCCCCO 273464a_100000750430_100015525214 [0,2,0,0,0,0|2,0,0]=4 14603 B10R0.1 CCNC(=O)NCCCCO 273464a_100015525214_100000750430 [0,2,0,0,0,0|2,0,0]=4 14604 B10R0.1 CCNC(=O)NCCCCO 512a_100000750430_100015525214 [0,2,0,0,0,0|2,0,0]=4 14605 B10R0.1 CCNC(=O)NCCCCO 512a_100015525214_100000750430 [0,2,0,0,0,0|2,0,0]=4 14606 B10R0.1 CCNC(=O)NCCCOC 2708a_100015525214_100150723488 [0,2,0,0,0,0|2,0,0]=4 14607 B10R0.1 CCNC(=O)NCCCOC 2708a_100150723488_100015525214 [0,2,0,0,0,0|2,0,0]=4 14608 B10R0.1 CCNC(=O)NCCCOC 273464a_100015525214_100150723488 [0,2,0,0,0,0|2,0,0]=4 14609 B10R0.1 CCNC(=O)NCCCOC 273464a_100150723488_100015525214 [0,2,0,0,0,0|2,0,0]=4 14610 B10R0.1 CCNC(=O)NCCCOC 512a_100015525214_100150723488 [0,2,0,0,0,0|2,0,0]=4 14611 B10R0.1 CCNC(=O)NCCCSC 2708a_100000749238_100015525214 [0,2,0,0,0,0|2,0,0]=4 14612 B10R0.1 CCNC(=O)NCCCSC 2708a_100015525214_100000749238 [0,2,0,0,0,0|2,0,0]=4 14613 B10R0.1 CCNC(=O)NCCCSC 273464a_100000749238_100015525214 [0,2,0,0,0,0|2,0,0]=4 14614 B10R0.1 CCNC(=O)NCCCSC 273464a_100015525214_100000749238 [0,2,0,0,0,0|2,0,0]=4 14615 B10R0.1 CCNC(=O)NCCCSC 512a_100000749238_100015525214 [0,2,0,0,0,0|2,0,0]=4 14616 B10R0.1 CCNC(=O)NCCCSC 512a_100015525214_100000749238 [0,2,0,0,0,0|2,0,0]=4 14617 B10R0.1 CCNC(=O)NCCOCC 2708a_100011200944_100015525214 [0,2,0,0,0,0|2,0,0]=4 14618 B10R0.1 CCNC(=O)NCCOCC 2708a_100015525214_100011200944 [0,2,0,0,0,0|2,0,0]=4 14619 B10R0.1 CCNC(=O)NCCOCC 273464a_100015525214_102516460346 [0,2,0,0,0,0|2,0,0]=4 14620 B10R0.1 CCNC(=O)NCCOCC 273464a_102516460346_100015525214 [0,2,0,0,0,0|2,0,0]=4 14621 B10R0.1 CCNC(=O)NCCOCC 512a_100011200944_100015525214 [0,2,0,0,0,0|2,0,0]=4 14622 B10R0.1 CCNC(=O)NCCOCC 512a_100015525214_100011200944 [0,2,0,0,0,0|2,0,0]=4 14623 B10R0.1 CCNC(=O)NCCSCC 2708a_100000106463_100015525214 [0,2,0,0,0,0|2,0,0]=4 14624 B10R0.1 CCNC(=O)NCCSCC 2708a_100015525214_100000106463 [0,2,0,0,0,0|2,0,0]=4 14625 B10R0.1 CCNC(=O)NCCSCC 273464a_100000106463_100015525214 [0,2,0,0,0,0|2,0,0]=4 14626 B10R0.1 CCNC(=O)NCCSCC 273464a_100015525214_100000106463 [0,2,0,0,0,0|2,0,0]=4 14627 B10R0.1 CCNC(=O)NCCSCC 512a_100000106463_100015525214 [0,2,0,0,0,0|2,0,0]=4 14628 B10R0.1 CCNC(=O)NCCSCC 512a_100015525214_100000106463 [0,2,0,0,0,0|2,0,0]=4 14629 B10R0.1 CCNCCCC(=O)OCC 2230a_100015525214_100009991533 [0,2,0,0,0,0|1,0,0]=3 14630 B10R0.1 CCOC(=O)CCCCNC 2230a_106832991635_100000750268 [0,2,0,0,0,0|1,0,0]=3 14631 B10R0.1 CCOC(=O)CCCCNC 34a_100102657272_100000750268 [0,2,0,0,0,0|1,0,0]=3 14632 B10R0.1 CCOC(=O)CCCCNC 7a_106832991635_100000750268 [0,2,0,0,0,0|1,0,0]=3 14633 B10R0.1 CCOC(=O)CCCCOC 34a_100138415774_100000750268 [0,2,0,0,0,0|1,0,0]=3 14634 B10R0.1 CCOC(=O)CCCCSC 62a_100000750268_200000210301 [0,2,0,0,0,0|1,0,0]=3 14635 B10R0.1 CCOC(=O)CCCCSC 62a_200000210301_100000750268 [0,2,0,0,0,0|1,0,0]=3 14636 B10R0.1 CCOC(=O)CCCCS[13CH3] 62a_100000750268_200025704644 [0,2,0,0,0,0|1,0,0]=3 14637 B10R0.1 CCOC(=O)CCCCS[13CH3] 62a_200025704644_100000750268 [0,2,0,0,0,0|1,0,0]=3 14638 B10R0.1 CCOC(=O)CCCOCF 7a_100012001163_100015361967 [0,2,0,0,0,0|2,0,0]=4 14639 B10R0.1 CCOC(=O)CCCSCC 62a_100000210202_100009991533 [0,2,0,0,0,0|1,0,0]=3 14640 B10R0.1 CCOC(=O)CCCSCC 62a_100009991533_100000210202 [0,2,0,0,0,0|1,0,0]=3 14641 B10R0.1 CCOC(=O)CCCSCF 62a_100009991533_100015361967 [0,2,0,0,0,0|2,0,0]=4 14642 B10R0.1 CCOC(=O)CCCSCF 62a_100015361967_100009991533 [0,2,0,0,0,0|2,0,0]=4 14643 B10R0.1 CCOC(=O)CCNCCF 34a_100000724931_100000765890 [0,2,0,0,0,0|2,0,0]=4 14644 B10R0.1 CCOC(=O)CCNCCO 2230a_100016997473_100011206558 [0,2,0,0,0,0|2,0,0]=4 14645 B10R0.1 CCOC(=O)CCNCCO 34a_100016990907_100000765890 [0,2,0,0,0,0|2,0,0]=4 14646 B10R0.1 CCOC(=O)CCOCCBr 34a_100000211926_100000765890 [0,2,0,0,0,0|2,0,0]=4 14647 B10R0.1 CCOC(=O)CCOCCN 34a_100000210304_100000765890 [0,2,0,0,0,0|2,0,0]=4 14648 B10R0.1 CCOC(=O)CCSCCF 62a_100000765890_100011217306 [0,2,0,0,0,0|2,0,0]=4 14649 B10R0.1 CCOC(=O)CCSCCF 62a_100011217306_100000765890 [0,2,0,0,0,0|2,0,0]=4 14650 B10R0.1 CCOC(=O)CCSCCO 62a_100000211926_100000765890 [0,2,0,0,0,0|2,0,0]=4 14651 B10R0.1 CCOC(=O)CCSCCO 62a_100000765890_100000211926 [0,2,0,0,0,0|2,0,0]=4 14652 B10R0.1 CCOC(=O)CCSCOC 62a_100000765890_100000766300 [0,2,0,0,0,0|2,0,0]=4 14653 B10R0.1 CCOC(=O)CCSCOC 62a_100000766300_100000765890 [0,2,0,0,0,0|2,0,0]=4 14654 B10R0.1 CCOC(=O)CCSCSC 62a_100000765890_100011218213 [0,2,0,0,0,0|2,0,0]=4 14655 B10R0.1 CCOC(=O)CCSCSC 62a_100011218213_100000765890 [0,2,0,0,0,0|2,0,0]=4 14656 B10R0.1 CCOC(=O)CNCCCF 2230a_100015189416_100000188475 [0,2,0,0,0,0|2,0,0]=4 14657 B10R0.1 CCOC(=O)CNCCCF 34a_100015189416_100000188475 [0,2,0,0,0,0|2,0,0]=4 14658 B10R0.1 CCOC(=O)CNCCOC 2230a_100000209980_100000188475 [0,2,0,0,0,0|2,0,0]=4 14659 B10R0.1 CCOC(=O)CNCCSC 2230a_100020590264_100000188475 [0,2,0,0,0,0|2,0,0]=4 14660 B10R0.1 CCOC(=O)COCCCBr 34a_100011217188_100000188475 [0,2,0,0,0,0|2,0,0]=4 14661 B10R0.1 CCOC(=O)COCCCCl 34a_100000230001_100000188475 [0,2,0,0,0,0|2,0,0]=4 14662 B10R0.1 CCOC(=O)COCCCF 34a_100000759539_100000188475 [0,2,0,0,0,0|2,0,0]=4 14663 B10R0.1 CCOC(=O)COCCCN 34a_100000182051_100000188475 [0,2,0,0,0,0|2,0,0]=4 14664 B10R0.1 CCOC(=O)COCCNC 2230a_106832991635_100000088970 [0,2,0,0,0,0|2,0,0]=4 14665 B10R0.1 CCOC(=O)COCCNC 34a_100102657272_100000088970 [0,2,0,0,0,0|2,0,0]=4 14666 B10R0.1 CCOC(=O)COCCNC 7a_106832991635_100000088970 [0,2,0,0,0,0|2,0,0]=4 14667 B10R0.1 CCOC(=O)COCCOC 34a_100000210237_100000188475 [0,2,0,0,0,0|2,0,0]=4 14668 B10R0.1 CCOC(=O)COCCOC 34a_100138415774_100000088970 [0,2,0,0,0,0|2,0,0]=4 14669 B10R0.1 CCOC(=O)COCCSC 34a_100000230434_100000188475 [0,2,0,0,0,0|2,0,0]=4 14670 B10R0.1 CCOC(=O)COCCSC 62a_100000088970_200000210301 [0,2,0,0,0,0|2,0,0]=4 14671 B10R0.1 CCOC(=O)COCCSC 62a_200000210301_100000088970 [0,2,0,0,0,0|2,0,0]=4 14672 B10R0.1 CCOC(=O)COCCSC 7a_100000230434_100000188475 [0,2,0,0,0,0|2,0,0]=4 14673 B10R0.1 CCOC(=O)COCCS[13CH3] 62a_100000088970_200025704644 [0,2,0,0,0,0|2,0,0]=4 14674 B10R0.1 CCOC(=O)COCCS[13CH3] 62a_200025704644_100000088970 [0,2,0,0,0,0|2,0,0]=4 14675 B10R0.1 CCOC(=O)CSCCCF 62a_100000188475_100011934791 [0,2,0,0,0,0|2,0,0]=4 14676 B10R0.1 CCOC(=O)CSCCCF 62a_100011934791_100000188475 [0,2,0,0,0,0|2,0,0]=4 14677 B10R0.1 CCOC(=O)CSCCCO 62a_100000188475_100011215043 [0,2,0,0,0,0|2,0,0]=4 14678 B10R0.1 CCOC(=O)CSCCCO 62a_100011215043_100000188475 [0,2,0,0,0,0|2,0,0]=4 14679 B10R0.1 CCOC(=O)CSCCOC 62a_100000188475_100000233755 [0,2,0,0,0,0|2,0,0]=4 14680 B10R0.1 CCOC(=O)CSCCOC 62a_100000233755_100000188475 [0,2,0,0,0,0|2,0,0]=4 14681 B10R0.1 CCOC(=O)CSCCOC 7a_200000230590_200000210301 [0,2,0,0,0,0|2,0,0]=4 14682 B10R0.1 CCOC(=O)CSCCO[13CH3] 7a_200000230590_200025704644 [0,2,0,0,0,0|2,0,0]=4 14683 B10R0.1 CCOC(=O)CSCCSC 62a_100000188475_100000751147 [0,2,0,0,0,0|2,0,0]=4 14684 B10R0.1 CCOC(=O)CSCCSC 62a_100000212216_100000188475 [0,2,0,0,0,0|2,0,0]=4 14685 B10R0.1 CCOC(=O)NCCSCC 62a_100000210202_200011445536 [0,2,0,0,0,0|2,0,0]=4 14686 B10R0.1 CCOCCCC(=O)C=CBr 1458a_100016273825_100012232248 [0,2,0,0,0,0|1,0,1]=4 14687 B10R0.1 CCOCCCC(=O)C=CCl 1458a_200016279998_100012232248 [0,2,0,0,0,0|1,0,1]=4 14688 B10R0.1 CCOCCCC(=O)C=CI 1458a_100016256311_100012232248 [0,2,0,0,0,0|1,0,1]=4 14689 B10R0.1 CCOCCCC(=O)CC#N 1458a_100051588842_100012232248 [0,2,0,0,0,0|1,0,0]=3 14690 B10R0.1 CCOCCCC(=O)CCO 1458a_100011216618_100012232248 [0,2,0,0,0,0|1,0,0]=3 14691 B10R0.1 CCOCCCC(=O)COC 1458a_100000210968_100012232248 [0,2,0,0,0,0|1,0,0]=3 14692 B10R0.1 CCOCCCC(=O)CSC 1458a_100000184570_100012232248 [0,2,0,0,0,0|1,0,0]=3 14693 B10R0.1 CCOCCCC(=O)OCC 34a_100121572206_100009991533 [0,2,0,0,0,0|1,0,0]=3 14694 B10R0.1 CCOCCCC(=O)OCC 7a_100012001163_100000210202 [0,2,0,0,0,0|1,0,0]=3 14695 B10R0.1 CCOCCNC(=O)CC#N 1626a_102516460346_100051588842 [0,2,0,0,0,0|2,0,0]=4 14696 B10R0.1 CCOCCNC(=O)CC#N 240690a_100011200944_100051588842 [0,2,0,0,0,0|2,0,0]=4 14697 B10R0.1 CCOCCNC(=O)CCO 240690a_100011200944_100011216618 [0,2,0,0,0,0|2,0,0]=4 14698 B10R0.1 CCOCCNC(=O)COC 11a_100011200944_100000210968 [0,2,0,0,0,0|2,0,0]=4 14699 B10R0.1 CCOCCNC(=O)COC 1626a_102516460346_100000210968 [0,2,0,0,0,0|2,0,0]=4 14700 B10R0.1 CCOCCNC(=O)COC 240690a_100011200944_100000210968 [0,2,0,0,0,0|2,0,0]=4 14701 B10R0.1 CCOCCNC(=O)COC 527a_100011200944_100000210968 [0,2,0,0,0,0|2,0,0]=4 14702 B10R0.1 CCOCCNC(=O)CSC 11a_100011200944_100000184570 [0,2,0,0,0,0|2,0,0]=4 14703 B10R0.1 CCOCCNC(=O)CSC 1626a_102516460346_100000184570 [0,2,0,0,0,0|2,0,0]=4 14704 B10R0.1 CCOCCNC(=O)CSC 240690a_100011200944_100000184570 [0,2,0,0,0,0|2,0,0]=4 14705 B10R0.1 CCOCCNC(=O)CSC 527a_100011200944_100000184570 [0,2,0,0,0,0|2,0,0]=4 14706 B10R0.1 CCOCCNC(=O)NNC 273464a_102516460346_100016993582 [0,2,0,0,0,0|2,0,0]=4 14707 B10R0.1 CCOCCNC(=O)NNC 512a_100011200944_100016993582 [0,2,0,0,0,0|2,0,0]=4 14708 B10R0.1 CCOCCNC(=O)NNC 512a_100016993582_100011200944 [0,2,0,0,0,0|2,0,0]=4 14709 B10R0.1 CCOCCNC(=O)OCC 34a_100000158857_100000210202 [0,2,0,0,0,0|2,0,0]=4 14710 B10R0.1 CCOCCOC(=O)CNC 2230a_106832991635_200000101388 [0,2,0,0,0,0|2,0,0]=4 14711 B10R0.1 CCOCCOC(=O)CNC 34a_100102657272_200000101388 [0,2,0,0,0,0|2,0,0]=4 14712 B10R0.1 CCOCCOC(=O)CNC 7a_106832991635_200000101388 [0,2,0,0,0,0|2,0,0]=4 14713 B10R0.1 CCOCCOC(=O)COC 34a_100138415774_200000101388 [0,2,0,0,0,0|2,0,0]=4 14714 B10R0.1 CCOCCOC(=O)CSC 62a_200000101388_200000210301 [0,2,0,0,0,0|2,0,0]=4 14715 B10R0.1 CCOCCOC(=O)CSC 62a_200000210301_200000101388 [0,2,0,0,0,0|2,0,0]=4 14716 B10R0.1 CCOCCOC(=O)CS[13CH3] 62a_200000101388_200025704644 [0,2,0,0,0,0|2,0,0]=4 14717 B10R0.1 CCOCCOC(=O)CS[13CH3] 62a_200025704644_200000101388 [0,2,0,0,0,0|2,0,0]=4 14718 B10R0.1 CCOCSCC(=O)NCO 62a_100000185155_100000739092 [0,2,0,0,0,0|2,0,0]=4 14719 B10R0.1 CCOCSCC(=O)NCO 62a_100000739092_100000185155 [0,2,0,0,0,0|2,0,0]=4 14720 B10R0.1 CCOCSCC(=O)OCC 62a_100000188475_100000739092 [0,2,0,0,0,0|2,0,0]=4 14721 B10R0.1 CCOCSCC(=O)OCC 62a_100000739092_100000188475 [0,2,0,0,0,0|2,0,0]=4 14722 B10R0.1 CCSCCNC(=O)CC#N 1626a_100000106463_100051588842 [0,2,0,0,0,0|2,0,0]=4 14723 B10R0.1 CCSCCNC(=O)CC#N 240690a_100000106463_100051588842 [0,2,0,0,0,0|2,0,0]=4 14724 B10R0.1 CCSCCNC(=O)CCO 240690a_100000106463_100011216618 [0,2,0,0,0,0|2,0,0]=4 14725 B10R0.1 CCSCCNC(=O)COC 11a_100000106463_100000210968 [0,2,0,0,0,0|2,0,0]=4 14726 B10R0.1 CCSCCNC(=O)COC 1626a_100000106463_100000210968 [0,2,0,0,0,0|2,0,0]=4 14727 B10R0.1 CCSCCNC(=O)COC 240690a_100000106463_100000210968 [0,2,0,0,0,0|2,0,0]=4 14728 B10R0.1 CCSCCNC(=O)COC 527a_100000106463_100000210968 [0,2,0,0,0,0|2,0,0]=4 14729 B10R0.1 CCSCCNC(=O)CSC 11a_100000106463_100000184570 [0,2,0,0,0,0|2,0,0]=4 14730 B10R0.1 CCSCCNC(=O)CSC 1626a_100000106463_100000184570 [0,2,0,0,0,0|2,0,0]=4 14731 B10R0.1 CCSCCNC(=O)CSC 240690a_100000106463_100000184570 [0,2,0,0,0,0|2,0,0]=4 14732 B10R0.1 CCSCCNC(=O)CSC 527a_100000106463_100000184570 [0,2,0,0,0,0|2,0,0]=4 14733 B10R0.1 CCSCCNC(=O)NNC 273464a_100000106463_100016993582 [0,2,0,0,0,0|2,0,0]=4 14734 B10R0.1 CCSCCNC(=O)NNC 512a_100000106463_100016993582 [0,2,0,0,0,0|2,0,0]=4 14735 B10R0.1 CCSCCNC(=O)NNC 512a_100016993582_100000106463 [0,2,0,0,0,0|2,0,0]=4 14736 B10R0.1 CN(CC=O)CCCCCO 2230a_100000722520_200015260668 [0,2,0,0,0,0|2,0,0]=4 14737 B10R0.1 CN(CC=O)CCCCCO 269982a_100000722520_200015260668 [0,2,0,0,0,0|2,0,0]=4 14738 B10R0.1 CNCC(=O)NCCCOC 2230a_106832991635_100000183178 [0,2,0,0,0,0|2,0,0]=4 14739 B10R0.1 CNCC(=O)NCCCOC 34a_100102657272_100000183178 [0,2,0,0,0,0|2,0,0]=4 14740 B10R0.1 CNCC(=O)NCCCOC 7a_106832991635_100000183178 [0,2,0,0,0,0|2,0,0]=4 14741 B10R0.1 CNNC(=O)CCCCCO 22a_100016993582_100102619762 [0,2,0,0,0,0|1,0,0]=3 14742 B10R0.1 CNNC(=O)CCOCCO 22a_100016993582_100011229844 [0,2,0,0,0,0|2,0,0]=4 14743 B10R0.1 CNNC(=O)COCCOC 22a_100016993582_100000211095 [0,2,0,0,0,0|2,0,0]=4 14744 B10R0.1 CNNC(=O)NCCCCO 273464a_100000750430_100016993582 [0,2,0,0,0,0|2,0,0]=4 14745 B10R0.1 CNNC(=O)NCCCCO 512a_100000750430_100016993582 [0,2,0,0,0,0|2,0,0]=4 14746 B10R0.1 CNNC(=O)NCCCCO 512a_100016993582_100000750430 [0,2,0,0,0,0|2,0,0]=4 14747 B10R0.1 CNNC(=O)NCCCOC 273464a_100150723488_100016993582 [0,2,0,0,0,0|2,0,0]=4 14748 B10R0.1 CNNC(=O)NCCCOC 512a_100016993582_100150723488 [0,2,0,0,0,0|2,0,0]=4 14749 B10R0.1 CNNC(=O)NCCCSC 273464a_100000749238_100016993582 [0,2,0,0,0,0|2,0,0]=4 14750 B10R0.1 CNNC(=O)NCCCSC 512a_100000749238_100016993582 [0,2,0,0,0,0|2,0,0]=4 14751 B10R0.1 CNNC(=O)NCCCSC 512a_100016993582_100000749238 [0,2,0,0,0,0|2,0,0]=4 14752 B10R0.1 COCC(=O)CCCCC#N 1458a_100000210968_100000211819 [0,2,0,0,0,0|1,0,1]=4 14753 B10R0.1 COCC(=O)CCCCCF 1458a_100000210968_100000729378 [0,2,0,0,0,0|1,0,0]=3 14754 B10R0.1 COCC(=O)CCCCCO 1458a_100000210968_100000746330 [0,2,0,0,0,0|1,0,0]=3 14755 B10R0.1 COCC(=O)CCOCCO 1458a_100000210968_100011215305 [0,2,0,0,0,0|2,0,0]=4 14756 B10R0.1 COCC(=O)NCCCCO 240690a_100000750430_100000210968 [0,2,0,0,0,0|2,0,0]=4 14757 B10R0.1 COCC(=O)NCCCCO 527a_100000750430_100000210968 [0,2,0,0,0,0|2,0,0]=4 14758 B10R0.1 COCC(=O)NCCCSC 11a_100000749238_100000210968 [0,2,0,0,0,0|2,0,0]=4 14759 B10R0.1 COCC(=O)NCCCSC 1626a_100000749238_100000210968 [0,2,0,0,0,0|2,0,0]=4 14760 B10R0.1 COCC(=O)NCCCSC 240690a_100000749238_100000210968 [0,2,0,0,0,0|2,0,0]=4 14761 B10R0.1 COCC(=O)NCCCSC 527a_100000749238_100000210968 [0,2,0,0,0,0|2,0,0]=4 14762 B10R0.1 COCCCCC(=O)C=CBr 1458a_100016273825_100000755781 [0,2,0,0,0,0|1,0,1]=4 14763 B10R0.1 COCCCCC(=O)C=CCl 1458a_200016279998_100000755781 [0,2,0,0,0,0|1,0,1]=4 14764 B10R0.1 COCCCCC(=O)C=CI 1458a_100016256311_100000755781 [0,2,0,0,0,0|1,0,1]=4 14765 B10R0.1 COCCCCC(=O)CC#N 1458a_100051588842_100000755781 [0,2,0,0,0,0|1,0,0]=3 14766 B10R0.1 COCCCCC(=O)CCO 1458a_100011216618_100000755781 [0,2,0,0,0,0|1,0,0]=3 14767 B10R0.1 COCCCCC(=O)COC 1458a_100000210968_100000755781 [0,2,0,0,0,0|1,0,0]=3 14768 B10R0.1 COCCCCC(=O)CSC 1458a_100000184570_100000755781 [0,2,0,0,0,0|1,0,0]=3 14769 B10R0.1 COCCCNC(=O)CC#N 1626a_100150723488_100051588842 [0,2,0,0,0,0|2,0,0]=4 14770 B10R0.1 COCCCNC(=O)CC#N 240690a_100150723488_100051588842 [0,2,0,0,0,0|2,0,0]=4 14771 B10R0.1 COCCCNC(=O)CCO 240690a_100150723488_100011216618 [0,2,0,0,0,0|2,0,0]=4 14772 B10R0.1 COCCCNC(=O)COC 1626a_100150723488_100000210968 [0,2,0,0,0,0|2,0,0]=4 14773 B10R0.1 COCCCNC(=O)COC 240690a_100150723488_100000210968 [0,2,0,0,0,0|2,0,0]=4 14774 B10R0.1 COCCCNC(=O)COC 34a_100138415774_100000183178 [0,2,0,0,0,0|2,0,0]=4 14775 B10R0.1 COCCCNC(=O)COC 527a_100150723488_100000210968 [0,2,0,0,0,0|2,0,0]=4 14776 B10R0.1 COCCCNC(=O)CSC 1626a_100150723488_100000184570 [0,2,0,0,0,0|2,0,0]=4 14777 B10R0.1 COCCCNC(=O)CSC 240690a_100150723488_100000184570 [0,2,0,0,0,0|2,0,0]=4 14778 B10R0.1 COCCCNC(=O)CSC 527a_100150723488_100000184570 [0,2,0,0,0,0|2,0,0]=4 14779 B10R0.1 COCCCNC(=O)CSC 62a_100000183178_200000210301 [0,2,0,0,0,0|2,0,0]=4 14780 B10R0.1 COCCCNC(=O)CS[13CH3] 62a_100000183178_200025704644 [0,2,0,0,0,0|2,0,0]=4 14781 B10R0.1 COCCNCC(=O)NCO 2230a_100000209980_100000185155 [0,2,0,0,0,0|2,0,0]=4 14782 B10R0.1 COCCOCC(=O)CC#N 1458a_100000211095_100011214920 [0,2,0,0,0,0|2,0,0]=4 14783 B10R0.1 COCCOCC(=O)CCF 1458a_100000211095_100011217306 [0,2,0,0,0,0|2,0,0]=4 14784 B10R0.1 COCCOCC(=O)CCO 1458a_100000211095_100000211926 [0,2,0,0,0,0|2,0,0]=4 14785 B10R0.1 COCCOCC(=O)NCO 34a_100000210237_100000185155 [0,2,0,0,0,0|2,0,0]=4 14786 B10R0.1 COCCSCC(=O)NCO 62a_100000185155_100000233755 [0,2,0,0,0,0|2,0,0]=4 14787 B10R0.1 COCCSCC(=O)NCO 62a_100000233755_100000185155 [0,2,0,0,0,0|2,0,0]=4 14788 B10R0.1 CSCC(=O)CCCCC#N 1458a_100000184570_100000211819 [0,2,0,0,0,0|1,0,1]=4 14789 B10R0.1 CSCC(=O)CCCCCF 1458a_100000184570_100000729378 [0,2,0,0,0,0|1,0,0]=3 14790 B10R0.1 CSCC(=O)CCCCCO 1458a_100000184570_100000746330 [0,2,0,0,0,0|1,0,0]=3 14791 B10R0.1 CSCC(=O)CCOCCO 1458a_100000184570_100011215305 [0,2,0,0,0,0|2,0,0]=4 14792 B10R0.1 CSCC(=O)NCCCCO 240690a_100000750430_100000184570 [0,2,0,0,0,0|2,0,0]=4 14793 B10R0.1 CSCC(=O)NCCCCO 527a_100000750430_100000184570 [0,2,0,0,0,0|2,0,0]=4 14794 B10R0.1 CSCCCNC(=O)CC#N 1626a_100000749238_100051588842 [0,2,0,0,0,0|2,0,0]=4 14795 B10R0.1 CSCCCNC(=O)CC#N 240690a_100000749238_100051588842 [0,2,0,0,0,0|2,0,0]=4 14796 B10R0.1 CSCCCNC(=O)CCO 240690a_100000749238_100011216618 [0,2,0,0,0,0|2,0,0]=4 14797 B10R0.1 CSCCCNC(=O)CSC 11a_100000749238_100000184570 [0,2,0,0,0,0|2,0,0]=4 14798 B10R0.1 CSCCCNC(=O)CSC 1626a_100000749238_100000184570 [0,2,0,0,0,0|2,0,0]=4 14799 B10R0.1 CSCCCNC(=O)CSC 240690a_100000749238_100000184570 [0,2,0,0,0,0|2,0,0]=4 14800 B10R0.1 CSCCCNC(=O)CSC 527a_100000749238_100000184570 [0,2,0,0,0,0|2,0,0]=4 14801 B10R0.1 CSCCNCC(=O)NCO 2230a_100020590264_100000185155 [0,2,0,0,0,0|2,0,0]=4 14802 B10R0.1 CSCCOCC(=O)NCO 34a_100000230434_100000185155 [0,2,0,0,0,0|2,0,0]=4 14803 B10R0.1 CSCCOCC(=O)NCO 7a_100000230434_100000185155 [0,2,0,0,0,0|2,0,0]=4 14804 B10R0.1 CSCCSCC(=O)NCO 62a_100000185155_100000751147 [0,2,0,0,0,0|2,0,0]=4 14805 B10R0.1 CSCCSCC(=O)NCO 62a_100000212216_100000185155 [0,2,0,0,0,0|2,0,0]=4 14806 B10R0.1 N#CCC(=O)CCCCCF 1458a_100051588842_100000729378 [0,2,0,0,0,0|1,0,0]=3 14807 B10R0.1 N#CCC(=O)CCCCCO 1458a_100051588842_100000746330 [0,2,0,0,0,0|1,0,0]=3 14808 B10R0.1 N#CCC(=O)CCCCCO 1458a_100102619762_100011214920 [0,2,0,0,0,0|1,0,0]=3 14809 B10R0.1 N#CCC(=O)CCOCCO 1458a_100011229844_100011214920 [0,2,0,0,0,0|2,0,0]=4 14810 B10R0.1 N#CCC(=O)CCOCCO 1458a_100051588842_100011215305 [0,2,0,0,0,0|2,0,0]=4 14811 B10R0.1 N#CCC(=O)NCCCCO 240690a_100000750430_100051588842 [0,2,0,0,0,0|2,0,0]=4 14812 B10R0.1 N#CCCCCC(=O)CC#N 1458a_100051588842_100000211819 [0,2,0,0,0,0|1,0,1]=4 14813 B10R0.1 N#CCCCCC(=O)CCO 1458a_100011216618_100000211819 [0,2,0,0,0,0|1,0,1]=4 14814 B10R0.1 NCCCOCC(=O)NCO 34a_100000182051_100000185155 [0,2,0,0,0,0|2,0,0]=4 14815 B10R0.1 O=C(C=CBr)CCCCCF 1458a_100016273825_100000729378 [0,2,0,0,0,0|1,0,1]=4 14816 B10R0.1 O=C(C=CBr)CCCCCO 1458a_100016273825_100000746330 [0,2,0,0,0,0|1,0,1]=4 14817 B10R0.1 O=C(C=CCl)CCCCCF 1458a_200016279998_100000729378 [0,2,0,0,0,0|1,0,1]=4 14818 B10R0.1 O=C(C=CCl)CCCCCO 1458a_200016279998_100000746330 [0,2,0,0,0,0|1,0,1]=4 14819 B10R0.1 O=C(C=CI)CCCCCF 1458a_100016256311_100000729378 [0,2,0,0,0,0|1,0,1]=4 14820 B10R0.1 O=C(C=CI)CCCCCO 1458a_100016256311_100000746330 [0,2,0,0,0,0|1,0,1]=4 14821 B10R0.1 O=C(CCF)CCCCCO 1458a_100102619762_100011217306 [0,2,0,0,0,0|1,0,0]=3 14822 B10R0.1 O=C(CCF)CCOCCO 1458a_100011229844_100011217306 [0,2,0,0,0,0|2,0,0]=4 14823 B10R0.1 O=C(CCO)CCCCCF 1458a_100011216618_100000729378 [0,2,0,0,0,0|1,0,0]=3 14824 B10R0.1 O=C(CCO)CCCCCO 1458a_100011216618_100000746330 [0,2,0,0,0,0|1,0,0]=3 14825 B10R0.1 O=C(CCO)CCCCCO 1458a_100102619762_100000211926 [0,2,0,0,0,0|1,0,0]=3 14826 B10R0.1 O=C(CCO)CCOCCO 1458a_100011216618_100011215305 [0,2,0,0,0,0|2,0,0]=4 14827 B10R0.1 O=C(CCO)CCOCCO 1458a_100011229844_100000211926 [0,2,0,0,0,0|2,0,0]=4 14828 B10R0.1 O=C(CCO)NCCCCO 240690a_100000750430_100011216618 [0,2,0,0,0,0|2,0,0]=4 14829 B10R0.1 O=C(CNCCCF)NCO 2230a_100015189416_100000185155 [0,2,0,0,0,0|2,0,0]=4 14830 B10R0.1 O=C(CNCCCF)NCO 34a_100015189416_100000185155 [0,2,0,0,0,0|2,0,0]=4 14831 B10R0.1 O=C(COCCCBr)NCO 34a_100011217188_100000185155 [0,2,0,0,0,0|2,0,0]=4 14832 B10R0.1 O=C(COCCCCl)NCO 34a_100000230001_100000185155 [0,2,0,0,0,0|2,0,0]=4 14833 B10R0.1 O=C(COCCCF)NCO 34a_100000759539_100000185155 [0,2,0,0,0,0|2,0,0]=4 14834 B10R0.1 O=C(CSCCCF)NCO 62a_100000185155_100011934791 [0,2,0,0,0,0|2,0,0]=4 14835 B10R0.1 O=C(CSCCCF)NCO 62a_100011934791_100000185155 [0,2,0,0,0,0|2,0,0]=4 14836 B10R0.1 O=C(CSCCCO)NCO 62a_100000185155_100011215043 [0,2,0,0,0,0|2,0,0]=4 14837 B10R0.1 O=C(CSCCCO)NCO 62a_100011215043_100000185155 [0,2,0,0,0,0|2,0,0]=4 14838 B10R0.41 C=CC(CCCCCC)OC 34a_200011215977_200000210301 [0,2,0,0,0,0|1,0,1]=4 14839 B10R0.41 C=CC(CCCCCC)OC 7a_200011215977_200000210301 [0,2,0,0,0,0|1,0,1]=4 14840 B10R0.41 C=CC(CCCCCC)O[13CH3] 34a_200011215977_200025704644 [0,2,0,0,0,0|1,0,1]=4 14841 B10R0.41 C=CC(CCCCCC)O[13CH3] 7a_200011215977_200025704644 [0,2,0,0,0,0|1,0,1]=4 14842 B10R0.41 CCCCCCC(CC)NC 270004a_106832991635_100011219640 [0,2,0,0,0,0|1,0,1]=4 14843 B10R0.41 CCCCCCC(CC)OC 34a_100011215785_200000210301 [0,2,0,0,0,0|0,0,2]=4 14844 B10R0.41 CCCCCCC(CC)OC 7a_100011215785_200000210301 [0,2,0,0,0,0|0,0,2]=4 14845 B10R0.41 CCCCCCC(CC)O[13CH3] 34a_100011215785_200025704644 [0,2,0,0,0,0|0,0,2]=4 14846 B10R0.41 CCCCCCC(CC)O[13CH3] 7a_100011215785_200025704644 [0,2,0,0,0,0|0,0,2]=4 14847 B10R0.41 CCCCCCN(CC)CC 2230a_100000724800_100000210314 [0,2,0,0,0,0|2,0,0]=4 14848 B10R0.41 CCCCCCN(CC)CC 269956a_100000042499_100000210757 [0,2,0,0,0,0|2,0,0]=4 14849 B10R0.41 CCCCCCN(CC)CC 269982a_100000724800_100000210757 [0,2,0,0,0,0|2,0,0]=4 14850 B10R0.41 CCN(CCCCOC)N=O 34a_200000035056_200000210301 [0,2,0,0,0,0|2,0,0]=4 14851 B10R0.41 CCN(CCCCO[13CH3])N=O 34a_200000035056_200025704644 [0,2,0,0,0,0|2,0,0]=4 14852 B10R0.83 C#CC(=O)C(C)CCCCC 1458a_100000211873_200011218191 [0,2,0,0,0,0|0,0,1]=3 14853 B10R0.83 C/C=C(\C)/C(=O)CCCCC 1458a_100020587367_100000210326 [0,2,0,0,0,0|1,0,1]=4 14854 B10R0.83 C/C=C(\C)/C(C)NCCCC 269862a_100000102301_100020675665 [0,2,0,0,0,0|2,0,0]=4 14855 B10R0.83 C=C(COCCC)C(=O)OC 34a_100000210258_100009813391 [0,2,0,0,0,0|1,0,1]=4 14856 B10R0.83 C=C(CSCCC)C(=O)OC 62a_100000210303_100009813391 [0,2,0,0,0,0|1,0,1]=4 14857 B10R0.83 C=C(CSCCC)C(=O)OC 62a_100009813391_100000210303 [0,2,0,0,0,0|1,0,1]=4 14858 B10R0.83 C=CC(=O)C(C)CCCCC 1458a_100000185746_200011218191 [0,2,0,0,0,0|0,0,1]=3 14859 B10R0.83 C=CC(=O)N(C)CCCCC 1626a_100000223495_100000185746 [0,2,0,0,0,0|1,0,1]=4 14860 B10R0.83 C=CC(=O)N(C)CCCCC 240690a_100000223495_200121576911 [0,2,0,0,0,0|1,0,1]=4 14861 B10R0.83 CCC(=O)C(C)NCCCF 2230a_100015189416_100000742827 [0,2,0,0,0,0|2,0,0]=4 14862 B10R0.83 CCC(=O)C(C)NCCOC 2230a_100000209980_100000742827 [0,2,0,0,0,0|2,0,0]=4 14863 B10R0.83 CCC(=O)C(C)NCCSC 2230a_100020590264_100000742827 [0,2,0,0,0,0|2,0,0]=4 14864 B10R0.83 CCC(=O)C(C)OCCSC 7a_100000230434_100000742827 [0,2,0,0,0,0|2,0,0]=4 14865 B10R0.83 CCC(=O)C(C)SCCCF 62a_100000742827_100011934791 [0,2,0,0,0,0|2,0,0]=4 14866 B10R0.83 CCC(=O)C(C)SCCCF 62a_100011934791_100000742827 [0,2,0,0,0,0|2,0,0]=4 14867 B10R0.83 CCC(=O)C(C)SCCCO 62a_100000742827_100011215043 [0,2,0,0,0,0|2,0,0]=4 14868 B10R0.83 CCC(=O)C(C)SCCCO 62a_100011215043_100000742827 [0,2,0,0,0,0|2,0,0]=4 14869 B10R0.83 CCC(=O)C(C)SCCOC 62a_100000233755_100000742827 [0,2,0,0,0,0|2,0,0]=4 14870 B10R0.83 CCC(=O)C(C)SCCOC 62a_100000742827_100000233755 [0,2,0,0,0,0|2,0,0]=4 14871 B10R0.83 CCC(=O)C(C)SCCSC 62a_100000212216_100000742827 [0,2,0,0,0,0|2,0,0]=4 14872 B10R0.83 CCC(=O)C(C)SCCSC 62a_100000742827_100000751147 [0,2,0,0,0,0|2,0,0]=4 14873 B10R0.83 CCC(=O)N(C)CCCCO 240690a_100000717598_100000210414 [0,2,0,0,0,0|2,0,0]=4 14874 B10R0.83 CCC(=O)N(C)CCCOC 11a_100000224831_100000210414 [0,2,0,0,0,0|2,0,0]=4 14875 B10R0.83 CCC(=O)N(C)CCCOC 1626a_100000224831_100000210414 [0,2,0,0,0,0|2,0,0]=4 14876 B10R0.83 CCC(=O)N(C)CCCOC 240690a_100000224831_100000210414 [0,2,0,0,0,0|2,0,0]=4 14877 B10R0.83 CCC(=O)N(C)CCCOC 527a_100000224831_100000210414 [0,2,0,0,0,0|2,0,0]=4 14878 B10R0.83 CCCCCC(=O)C(=O)NC 1458a_100011218921_100000210326 [0,2,0,0,0,0|0,0,1]=3 14879 B10R0.83 CCCCCC(C)C(=O)CC 1458a_100000210414_200011218191 [0,2,0,0,0,0|0,0,0]=2 14880 B10R0.83 CCCCCC(C)C(=O)CC 1458a_100011215998_100000210202 [0,2,0,0,0,0|0,0,0]=2 14881 B10R0.83 CCCCCC(C)C(=O)CF 1458a_100011215998_100015361967 [0,2,0,0,0,0|0,0,0]=2 14882 B10R0.83 CCCCCC(C)C(=O)CO 1458a_100000210174_200011218191 [0,2,0,0,0,0|0,0,0]=2 14883 B10R0.83 CCCCCC(C)C(=O)NC 11a_106832991635_100011215998 [0,2,0,0,0,0|0,0,0]=2 14884 B10R0.83 CCCCCC(C)C(=O)NC 1626a_100102657272_100011215998 [0,2,0,0,0,0|0,0,0]=2 14885 B10R0.83 CCCCCC(C)C(=O)NC 240690a_100102657272_100011215998 [0,2,0,0,0,0|0,0,0]=2 14886 B10R0.83 CCCCCC(C)C(=O)NC 527a_100102657272_100011215998 [0,2,0,0,0,0|0,0,0]=2 14887 B10R0.83 CCCCCC(C)N(C)CC 2230a_100000225621_200011218191 [0,2,0,0,0,0|2,0,0]=4 14888 B10R0.83 CCCCCC(C)N(C)CC 269982a_100000225621_200011218191 [0,2,0,0,0,0|2,0,0]=4 14889 B10R0.83 CCCCCN(C)C(=O)CC 11a_100000223495_100000210414 [0,2,0,0,0,0|1,0,0]=3 14890 B10R0.83 CCCCCN(C)C(=O)CC 1626a_100000223495_100000210414 [0,2,0,0,0,0|1,0,0]=3 14891 B10R0.83 CCCCCN(C)C(=O)CC 240690a_100000223495_100000210414 [0,2,0,0,0,0|1,0,0]=3 14892 B10R0.83 CCCCCN(C)C(=O)CC 527a_100000223495_100000210414 [0,2,0,0,0,0|1,0,0]=3 14893 B10R0.83 CCCCCN(C)C(=O)CO 240690a_100000223495_100000210174 [0,2,0,0,0,0|1,0,0]=3 14894 B10R0.83 CCCCCN(C)C(=O)CO 527a_100000223495_100000210174 [0,2,0,0,0,0|1,0,0]=3 14895 B10R0.83 CCCCCN(C)C(=O)NC 2708a_100102657272_100000223495 [0,2,0,0,0,0|1,0,0]=3 14896 B10R0.83 CCCCCN(C)C(=O)NC 273464a_100102657272_100000223495 [0,2,0,0,0,0|1,0,0]=3 14897 B10R0.83 CCCCNC(=O)C(=O)NC 1626a_100000102301_100011218921 [0,2,0,0,0,0|1,0,1]=4 14898 B10R0.83 CCCCNC(=O)C(=O)NC 240690a_100000102301_100011218921 [0,2,0,0,0,0|1,0,1]=4 14899 B10R0.83 CCCCNC(=O)C(=O)NC 527a_100000102301_100011218921 [0,2,0,0,0,0|1,0,1]=4 14900 B10R0.83 CCCCNC(=O)C(=O)OC 11a_100000102301_100000024059 [0,2,0,0,0,0|1,0,1]=4 14901 B10R0.83 CCCCNC(=O)C(=O)OC 1626a_100000102301_100000024059 [0,2,0,0,0,0|1,0,1]=4 14902 B10R0.83 CCCCNC(=O)C(=O)OC 240690a_100000102301_100000024059 [0,2,0,0,0,0|1,0,1]=4 14903 B10R0.83 CCCCNC(=O)C(=O)OC 527a_100000102301_100000024059 [0,2,0,0,0,0|1,0,1]=4 14904 B10R0.83 CCCCNC(C)C(=O)CC 2230a_100000102301_100000742827 [0,2,0,0,0,0|1,0,0]=3 14905 B10R0.83 CCCCNC(C)C(=O)CC 7a_106832991798_100000742827 [0,2,0,0,0,0|1,0,0]=3 14906 B10R0.83 CCCCNC(C)C(=O)NC 2230a_100000102301_100000731044 [0,2,0,0,0,0|1,0,0]=3 14907 B10R0.83 CCCCNC(C)C(=O)NC 7a_106832991798_100000209862 [0,2,0,0,0,0|1,0,0]=3 14908 B10R0.83 CCCCNC(C)C(=O)OC 2230a_100000102301_100000211248 [0,2,0,0,0,0|1,0,0]=3 14909 B10R0.83 CCCCNC(C)C(=O)OC 7a_106832991798_100000211248 [0,2,0,0,0,0|1,0,0]=3 14910 B10R0.83 CCCCNC(F)C(=O)NC 2230a_100000102301_100009813575 [0,2,0,0,0,0|1,0,0]=3 14911 B10R0.83 CCCCNC(F)C(=O)NC 7a_106832991798_100009813575 [0,2,0,0,0,0|1,0,0]=3 14912 B10R0.83 CCCCN[C@H](C)C(=O)NC 2230a_100000684985_100000210211 [0,2,0,0,0,0|1,0,0]=3 14913 B10R0.83 CCCCN[C@H](C)C(=O)NC 34a_100000684985_100000210210 [0,2,0,0,0,0|1,0,0]=3 14914 B10R0.83 CCCCOC(C)C(=O)CC 7a_100000210227_100000742827 [0,2,0,0,0,0|1,0,0]=3 14915 B10R0.83 CCCCOC(C)C(=O)NC 34a_100000210227_100000731044 [0,2,0,0,0,0|1,0,0]=3 14916 B10R0.83 CCCCOC(C)C(=O)NC 7a_100000210227_100000209862 [0,2,0,0,0,0|1,0,0]=3 14917 B10R0.83 CCCCOC(C)C(=O)NN 34a_100000725659_100000210210 [0,2,0,0,0,0|2,0,0]=4 14918 B10R0.83 CCCCOC(C)C(=O)OC 34a_100000210227_100000211248 [0,2,0,0,0,0|1,0,0]=3 14919 B10R0.83 CCCCOC(C)C(=O)OC 34a_100011215400_100000210210 [0,2,0,0,0,0|1,0,0]=3 14920 B10R0.83 CCCCOC(C)C(=O)OC 7a_100000210227_100000211248 [0,2,0,0,0,0|1,0,0]=3 14921 B10R0.83 CCCCOC(F)C(=O)NC 34a_100000210227_100009813575 [0,2,0,0,0,0|1,0,0]=3 14922 B10R0.83 CCCCOC(F)C(=O)NC 7a_100000210227_100009813575 [0,2,0,0,0,0|1,0,0]=3 14923 B10R0.83 CCCCSC(C)C(=O)CC 1458a_100000191163_100000210202 [0,2,0,0,0,0|1,0,0]=3 14924 B10R0.83 CCCCSC(C)C(=O)CC 62a_100000210211_100000742827 [0,2,0,0,0,0|1,0,0]=3 14925 B10R0.83 CCCCSC(C)C(=O)CC 62a_100000742827_100000210210 [0,2,0,0,0,0|1,0,0]=3 14926 B10R0.83 CCCCSC(C)C(=O)CF 1458a_100000191163_100015361967 [0,2,0,0,0,0|1,0,0]=3 14927 B10R0.83 CCCCSC(C)C(=O)NC 11a_106832991635_100000191163 [0,2,0,0,0,0|1,0,0]=3 14928 B10R0.83 CCCCSC(C)C(=O)NC 1626a_100102657272_100000191163 [0,2,0,0,0,0|1,0,0]=3 14929 B10R0.83 CCCCSC(C)C(=O)NC 240690a_100102657272_100000191163 [0,2,0,0,0,0|1,0,0]=3 14930 B10R0.83 CCCCSC(C)C(=O)NC 527a_100102657272_100000191163 [0,2,0,0,0,0|1,0,0]=3 14931 B10R0.83 CCCCSC(C)C(=O)NC 62a_100000209862_100000210210 [0,2,0,0,0,0|1,0,0]=3 14932 B10R0.83 CCCCSC(C)C(=O)NC 62a_100000210211_100000731044 [0,2,0,0,0,0|1,0,0]=3 14933 B10R0.83 CCCCSC(C)C(=O)OC 62a_100000210211_100000211248 [0,2,0,0,0,0|1,0,0]=3 14934 B10R0.83 CCCCSC(C)C(=O)OC 62a_100000211248_100000210210 [0,2,0,0,0,0|1,0,0]=3 14935 B10R0.83 CCCCSC(F)C(=O)NC 62a_100000210211_100009813575 [0,2,0,0,0,0|1,0,0]=3 14936 B10R0.83 CCCCSC(F)C(=O)NC 62a_100009813575_100000210210 [0,2,0,0,0,0|1,0,0]=3 14937 B10R0.83 CCCNCC(C)C(=O)NC 2230a_100015187722_100000210303 [0,2,0,0,0,0|1,0,0]=3 14938 B10R0.83 CCCNCC(C)C(=O)NC 34a_100015187722_100000210303 [0,2,0,0,0,0|1,0,0]=3 14939 B10R0.83 CCCOCC(=O)C(=O)OC 34a_100000210258_100011610305 [0,2,0,0,0,0|1,0,1]=4 14940 B10R0.83 CCCOCC(C)C(=O)OC 34a_100000210258_100000698445 [0,2,0,0,0,0|1,0,0]=3 14941 B10R0.83 CCCOCC(C)C(=O)OC 34a_100000749362_100000210303 [0,2,0,0,0,0|1,0,0]=3 14942 B10R0.83 CCCOCC(C)C(=O)OC 7a_100000749362_100000210303 [0,2,0,0,0,0|1,0,0]=3 14943 B10R0.83 CCCOCC(F)C(=O)OC 34a_200009849844_100000210303 [0,2,0,0,0,0|1,0,0]=3 14944 B10R0.83 CCCOCC(N)C(=O)NN 34a_100016989258_100000210303 [0,2,0,0,0,0|2,0,0]=4 14945 B10R0.83 CCCOC[C@@H](N)C(=O)OC 34a_100000003586_100000210303 [0,2,0,0,0,0|1,0,0]=3 14946 B10R0.83 CCCSCC(=O)C(=O)OC 62a_100000210303_100011610305 [0,2,0,0,0,0|1,0,1]=4 14947 B10R0.83 CCCSCC(=O)C(=O)OC 62a_100011610305_100000210303 [0,2,0,0,0,0|1,0,1]=4 14948 B10R0.83 CCCSCC(C)C(=O)OC 62a_100000210303_100000698445 [0,2,0,0,0,0|1,0,0]=3 14949 B10R0.83 CCCSCC(C)C(=O)OC 62a_100000698445_100000210303 [0,2,0,0,0,0|1,0,0]=3 14950 B10R0.83 CCNCCC(C)C(=O)OC 2230a_100015525214_100000034942 [0,2,0,0,0,0|1,0,0]=3 14951 B10R0.83 CCOCCC(=O)C(=O)NC 1458a_100011218921_100011215890 [0,2,0,0,0,0|1,0,1]=4 14952 B10R0.83 CCOCCC(C)C(=O)OC 34a_100121572206_100000034942 [0,2,0,0,0,0|1,0,0]=3 14953 B10R0.83 CCOCSC(C)C(=O)CC 62a_100000739092_100000742827 [0,2,0,0,0,0|2,0,0]=4 14954 B10R0.83 CCOCSC(C)C(=O)CC 62a_100000742827_100000739092 [0,2,0,0,0,0|2,0,0]=4 14955 B10R0.83 CCOCSC(C)C(=O)NC 62a_100000209862_100000739092 [0,2,0,0,0,0|2,0,0]=4 14956 B10R0.83 CCOCSC(C)C(=O)NC 62a_100000739092_100000731044 [0,2,0,0,0,0|2,0,0]=4 14957 B10R0.83 CCOCSC(C)C(=O)OC 62a_100000211248_100000739092 [0,2,0,0,0,0|2,0,0]=4 14958 B10R0.83 CCOCSC(C)C(=O)OC 62a_100000739092_100000211248 [0,2,0,0,0,0|2,0,0]=4 14959 B10R0.83 CCOCSC(F)C(=O)NC 62a_100000739092_100009813575 [0,2,0,0,0,0|2,0,0]=4 14960 B10R0.83 CCOCSC(F)C(=O)NC 62a_100009813575_100000739092 [0,2,0,0,0,0|2,0,0]=4 14961 B10R0.83 CCSCCC(=O)C(=O)NC 1458a_100011218921_100000757381 [0,2,0,0,0,0|1,0,1]=4 14962 B10R0.83 CCSCCC(C)C(=O)OC 62a_100000034942_100000210202 [0,2,0,0,0,0|1,0,0]=3 14963 B10R0.83 CCSCCC(C)C(=O)OC 62a_100000210202_100000034942 [0,2,0,0,0,0|1,0,0]=3 14964 B10R0.83 CN(CCCCO)C(=O)CO 240690a_100000717598_100000210174 [0,2,0,0,0,0|2,0,0]=4 14965 B10R0.83 CNC(=O)C(=O)CCCCF 1458a_100011218921_100000729493 [0,2,0,0,0,0|1,0,1]=4 14966 B10R0.83 CNC(=O)C(=O)CCCCO 1458a_100011218921_100000210776 [0,2,0,0,0,0|1,0,1]=4 14967 B10R0.83 CNC(=O)C(=O)CCCOC 1458a_100011218921_100000740836 [0,2,0,0,0,0|1,0,1]=4 14968 B10R0.83 CNC(=O)C(C)CNCCF 2230a_100015187722_100011217306 [0,2,0,0,0,0|2,0,0]=4 14969 B10R0.83 CNC(=O)C(C)CNCCF 34a_100015187722_100011217306 [0,2,0,0,0,0|2,0,0]=4 14970 B10R0.83 CNC(=O)C(C)CNCCO 2230a_100015187722_100000211926 [0,2,0,0,0,0|2,0,0]=4 14971 B10R0.83 CNC(=O)C(C)CNCCO 34a_100015187722_100000211926 [0,2,0,0,0,0|2,0,0]=4 14972 B10R0.83 CNC(=O)C(C)CNCOC 2230a_100015187722_100000766300 [0,2,0,0,0,0|2,0,0]=4 14973 B10R0.83 CNC(=O)C(C)CNCSC 2230a_100015187722_100011218213 [0,2,0,0,0,0|2,0,0]=4 14974 B10R0.83 CNC(=O)C(C)CNCSC 34a_100015187722_100011218213 [0,2,0,0,0,0|2,0,0]=4 14975 B10R0.83 CNC(=O)C(C)NCCCF 2230a_100015189416_100000731044 [0,2,0,0,0,0|2,0,0]=4 14976 B10R0.83 CNC(=O)C(C)NCCCF 34a_100015189416_100000731044 [0,2,0,0,0,0|2,0,0]=4 14977 B10R0.83 CNC(=O)C(C)NCCOC 2230a_100000209980_100000731044 [0,2,0,0,0,0|2,0,0]=4 14978 B10R0.83 CNC(=O)C(C)NCCSC 2230a_100020590264_100000731044 [0,2,0,0,0,0|2,0,0]=4 14979 B10R0.83 CNC(=O)C(C)OCCCBr 34a_100011217188_100000731044 [0,2,0,0,0,0|2,0,0]=4 14980 B10R0.83 CNC(=O)C(C)OCCCCl 34a_100000230001_100000731044 [0,2,0,0,0,0|2,0,0]=4 14981 B10R0.83 CNC(=O)C(C)OCCCF 34a_100000759539_100000731044 [0,2,0,0,0,0|2,0,0]=4 14982 B10R0.83 CNC(=O)C(C)OCCCN 34a_100000182051_100000731044 [0,2,0,0,0,0|2,0,0]=4 14983 B10R0.83 CNC(=O)C(C)OCCOC 34a_100000210237_100000731044 [0,2,0,0,0,0|2,0,0]=4 14984 B10R0.83 CNC(=O)C(C)OCCSC 34a_100000230434_100000731044 [0,2,0,0,0,0|2,0,0]=4 14985 B10R0.83 CNC(=O)C(C)OCCSC 7a_100000230434_100000209862 [0,2,0,0,0,0|2,0,0]=4 14986 B10R0.83 CNC(=O)C(C)SCCCF 62a_100000209862_100011934791 [0,2,0,0,0,0|2,0,0]=4 14987 B10R0.83 CNC(=O)C(C)SCCCF 62a_100011934791_100000731044 [0,2,0,0,0,0|2,0,0]=4 14988 B10R0.83 CNC(=O)C(C)SCCCO 62a_100000209862_100011215043 [0,2,0,0,0,0|2,0,0]=4 14989 B10R0.83 CNC(=O)C(C)SCCCO 62a_100011215043_100000731044 [0,2,0,0,0,0|2,0,0]=4 14990 B10R0.83 CNC(=O)C(C)SCCOC 62a_100000209862_100000233755 [0,2,0,0,0,0|2,0,0]=4 14991 B10R0.83 CNC(=O)C(C)SCCOC 62a_100000233755_100000731044 [0,2,0,0,0,0|2,0,0]=4 14992 B10R0.83 CNC(=O)C(C)SCCSC 62a_100000209862_100000751147 [0,2,0,0,0,0|2,0,0]=4 14993 B10R0.83 CNC(=O)C(C)SCCSC 62a_100000212216_100000731044 [0,2,0,0,0,0|2,0,0]=4 14994 B10R0.83 CNC(=O)C(F)NCCCF 2230a_100015189416_100009813575 [0,2,0,0,0,0|2,0,0]=4 14995 B10R0.83 CNC(=O)C(F)NCCCF 34a_100015189416_100009813575 [0,2,0,0,0,0|2,0,0]=4 14996 B10R0.83 CNC(=O)C(F)NCCOC 2230a_100000209980_100009813575 [0,2,0,0,0,0|2,0,0]=4 14997 B10R0.83 CNC(=O)C(F)NCCSC 2230a_100020590264_100009813575 [0,2,0,0,0,0|2,0,0]=4 14998 B10R0.83 CNC(=O)C(F)OCCCBr 34a_100011217188_100009813575 [0,2,0,0,0,0|2,0,0]=4 14999 B10R0.83 CNC(=O)C(F)OCCCCl 34a_100000230001_100009813575 [0,2,0,0,0,0|2,0,0]=4 15000 B10R0.83 CNC(=O)C(F)OCCCF 34a_100000759539_100009813575 [0,2,0,0,0,0|2,0,0]=4 15001 B10R0.83 CNC(=O)C(F)OCCCN 34a_100000182051_100009813575 [0,2,0,0,0,0|2,0,0]=4 15002 B10R0.83 CNC(=O)C(F)OCCOC 34a_100000210237_100009813575 [0,2,0,0,0,0|2,0,0]=4 15003 B10R0.83 CNC(=O)C(F)OCCSC 34a_100000230434_100009813575 [0,2,0,0,0,0|2,0,0]=4 15004 B10R0.83 CNC(=O)C(F)OCCSC 7a_100000230434_100009813575 [0,2,0,0,0,0|2,0,0]=4 15005 B10R0.83 CNC(=O)C(F)SCCCF 62a_100009813575_100011934791 [0,2,0,0,0,0|2,0,0]=4 15006 B10R0.83 CNC(=O)C(F)SCCCF 62a_100011934791_100009813575 [0,2,0,0,0,0|2,0,0]=4 15007 B10R0.83 CNC(=O)C(F)SCCCO 62a_100009813575_100011215043 [0,2,0,0,0,0|2,0,0]=4 15008 B10R0.83 CNC(=O)C(F)SCCCO 62a_100011215043_100009813575 [0,2,0,0,0,0|2,0,0]=4 15009 B10R0.83 CNC(=O)C(F)SCCOC 62a_100000233755_100009813575 [0,2,0,0,0,0|2,0,0]=4 15010 B10R0.83 CNC(=O)C(F)SCCOC 62a_100009813575_100000233755 [0,2,0,0,0,0|2,0,0]=4 15011 B10R0.83 CNC(=O)C(F)SCCSC 62a_100000212216_100009813575 [0,2,0,0,0,0|2,0,0]=4 15012 B10R0.83 CNC(=O)C(F)SCCSC 62a_100009813575_100000751147 [0,2,0,0,0,0|2,0,0]=4 15013 B10R0.83 CNC(=O)N(C)CCCCO 2708a_100102657272_100000717598 [0,2,0,0,0,0|2,0,0]=4 15014 B10R0.83 CNC(=O)N(C)CCCCO 273464a_100102657272_100000717598 [0,2,0,0,0,0|2,0,0]=4 15015 B10R0.83 CNC(=O)N(C)CCCOC 2708a_100102657272_100000224831 [0,2,0,0,0,0|2,0,0]=4 15016 B10R0.83 CNC(=O)N(C)CCCOC 273464a_100102657272_100000224831 [0,2,0,0,0,0|2,0,0]=4 15017 B10R0.83 CNC(=O)[C@@H](C)NCCCF 2230a_100000684985_100011934791 [0,2,0,0,0,0|2,0,0]=4 15018 B10R0.83 CNC(=O)[C@@H](C)NCCCF 34a_100000684985_100011934791 [0,2,0,0,0,0|2,0,0]=4 15019 B10R0.83 CNC(=O)[C@@H](C)NCCCO 2230a_100000684985_100000230001 [0,2,0,0,0,0|2,0,0]=4 15020 B10R0.83 CNC(=O)[C@@H](C)NCCCO 34a_100000684985_100000230001 [0,2,0,0,0,0|2,0,0]=4 15021 B10R0.83 CNC(=O)[C@@H](C)NCCOC 2230a_100000684985_100011201679 [0,2,0,0,0,0|2,0,0]=4 15022 B10R0.83 CNC(=O)[C@@H](C)NCCOC 34a_100000684985_100011201679 [0,2,0,0,0,0|2,0,0]=4 15023 B10R0.83 CNC(=O)[C@@H](C)NCCSC 2230a_100000684985_100000751147 [0,2,0,0,0,0|2,0,0]=4 15024 B10R0.83 CNC(=O)[C@@H](C)NCCSC 34a_100000684985_100000212216 [0,2,0,0,0,0|2,0,0]=4 15025 B10R0.83 COC(=O)C(C)CCSCF 62a_100000034942_100015361967 [0,2,0,0,0,0|2,0,0]=4 15026 B10R0.83 COC(=O)C(C)CCSCF 62a_100015361967_100000034942 [0,2,0,0,0,0|2,0,0]=4 15027 B10R0.83 COC(=O)C(C)CNCCF 34a_100000724931_100000698445 [0,2,0,0,0,0|2,0,0]=4 15028 B10R0.83 COC(=O)C(C)CNCCO 34a_100016990907_100000698445 [0,2,0,0,0,0|2,0,0]=4 15029 B10R0.83 COC(=O)C(C)COCCBr 34a_100000211926_100000698445 [0,2,0,0,0,0|2,0,0]=4 15030 B10R0.83 COC(=O)C(C)COCCF 34a_100000749362_100011217306 [0,2,0,0,0,0|2,0,0]=4 15031 B10R0.83 COC(=O)C(C)COCCF 7a_100000749362_100011217306 [0,2,0,0,0,0|2,0,0]=4 15032 B10R0.83 COC(=O)C(C)COCCN 34a_100000210304_100000698445 [0,2,0,0,0,0|2,0,0]=4 15033 B10R0.83 COC(=O)C(C)COCCO 34a_100000749362_100000211926 [0,2,0,0,0,0|2,0,0]=4 15034 B10R0.83 COC(=O)C(C)COCCO 7a_100000749362_100000211926 [0,2,0,0,0,0|2,0,0]=4 15035 B10R0.83 COC(=O)C(C)COCSC 34a_100000749362_100011218213 [0,2,0,0,0,0|2,0,0]=4 15036 B10R0.83 COC(=O)C(C)CSCCF 62a_100000698445_100011217306 [0,2,0,0,0,0|2,0,0]=4 15037 B10R0.83 COC(=O)C(C)CSCCF 62a_100011217306_100000698445 [0,2,0,0,0,0|2,0,0]=4 15038 B10R0.83 COC(=O)C(C)CSCCO 62a_100000211926_100000698445 [0,2,0,0,0,0|2,0,0]=4 15039 B10R0.83 COC(=O)C(C)CSCCO 62a_100000698445_100000211926 [0,2,0,0,0,0|2,0,0]=4 15040 B10R0.83 COC(=O)C(C)CSCSC 62a_100000698445_100011218213 [0,2,0,0,0,0|2,0,0]=4 15041 B10R0.83 COC(=O)C(C)CSCSC 62a_100011218213_100000698445 [0,2,0,0,0,0|2,0,0]=4 15042 B10R0.83 COC(=O)C(C)NCCCF 2230a_100015189416_100000211248 [0,2,0,0,0,0|2,0,0]=4 15043 B10R0.83 COC(=O)C(C)NCCCF 34a_100015189416_100000211248 [0,2,0,0,0,0|2,0,0]=4 15044 B10R0.83 COC(=O)C(C)NCCSC 2230a_100020590264_100000211248 [0,2,0,0,0,0|2,0,0]=4 15045 B10R0.83 COC(=O)C(C)OCCCBr 34a_100011217188_100000211248 [0,2,0,0,0,0|2,0,0]=4 15046 B10R0.83 COC(=O)C(C)OCCCCl 34a_100000230001_100000211248 [0,2,0,0,0,0|2,0,0]=4 15047 B10R0.83 COC(=O)C(C)OCCCF 34a_100000759539_100000211248 [0,2,0,0,0,0|2,0,0]=4 15048 B10R0.83 COC(=O)C(C)OCCCF 34a_100011215400_100011934791 [0,2,0,0,0,0|2,0,0]=4 15049 B10R0.83 COC(=O)C(C)OCCCN 34a_100000182051_100000211248 [0,2,0,0,0,0|2,0,0]=4 15050 B10R0.83 COC(=O)C(C)OCCCO 34a_100011215400_100000230001 [0,2,0,0,0,0|2,0,0]=4 15051 B10R0.83 COC(=O)C(C)OCCSC 34a_100000230434_100000211248 [0,2,0,0,0,0|2,0,0]=4 15052 B10R0.83 COC(=O)C(C)OCCSC 34a_100011215400_100000212216 [0,2,0,0,0,0|2,0,0]=4 15053 B10R0.83 COC(=O)C(C)OCCSC 7a_100000230434_100000211248 [0,2,0,0,0,0|2,0,0]=4 15054 B10R0.83 COC(=O)C(C)SCCCF 62a_100000211248_100011934791 [0,2,0,0,0,0|2,0,0]=4 15055 B10R0.83 COC(=O)C(C)SCCCF 62a_100011934791_100000211248 [0,2,0,0,0,0|2,0,0]=4 15056 B10R0.83 COC(=O)C(C)SCCCO 62a_100000211248_100011215043 [0,2,0,0,0,0|2,0,0]=4 15057 B10R0.83 COC(=O)C(C)SCCCO 62a_100011215043_100000211248 [0,2,0,0,0,0|2,0,0]=4 15058 B10R0.83 COC(=O)C(C)SCCSC 62a_100000211248_100000751147 [0,2,0,0,0,0|2,0,0]=4 15059 B10R0.83 COC(=O)C(C)SCCSC 62a_100000212216_100000211248 [0,2,0,0,0,0|2,0,0]=4 15060 B10R0.83 COC(=O)C(F)COCCF 34a_200009849844_100011217306 [0,2,0,0,0,0|2,0,0]=4 15061 B10R0.83 COC(=O)C(F)COCCO 34a_200009849844_100000211926 [0,2,0,0,0,0|2,0,0]=4 15062 B10R0.83 COC(=O)C(F)COCSC 34a_200009849844_100011218213 [0,2,0,0,0,0|2,0,0]=4 15063 B10R0.83 COC(=O)[C@H](N)COCCF 34a_100000003586_100011217306 [0,2,0,0,0,0|2,0,0]=4 15064 B10R0.83 COC(=O)[C@H](N)COCCO 34a_100000003586_100000211926 [0,2,0,0,0,0|2,0,0]=4 15065 B10R0.83 COC(=O)[C@H](N)COCSC 34a_100000003586_100011218213 [0,2,0,0,0,0|2,0,0]=4 15066 B10R0.83 COCCCN(C)C(=O)CO 240690a_100000224831_100000210174 [0,2,0,0,0,0|2,0,0]=4 15067 B10R0.83 COCCCN(C)C(=O)CO 527a_100000224831_100000210174 [0,2,0,0,0,0|2,0,0]=4 15068 B10R0.83 COCCNC(C)C(=O)OC 2230a_100000209980_100000211248 [0,2,0,0,0,0|2,0,0]=4 15069 B10R0.83 COCCOC(C)C(=O)OC 34a_100000210237_100000211248 [0,2,0,0,0,0|2,0,0]=4 15070 B10R0.83 COCCOC(C)C(=O)OC 34a_100011215400_100011201679 [0,2,0,0,0,0|2,0,0]=4 15071 B10R0.83 COCCSC(C)C(=O)OC 62a_100000211248_100000233755 [0,2,0,0,0,0|2,0,0]=4 15072 B10R0.83 COCCSC(C)C(=O)OC 62a_100000233755_100000211248 [0,2,0,0,0,0|2,0,0]=4 15073 B10R0.83 COCSCC(C)C(=O)OC 62a_100000698445_100000766300 [0,2,0,0,0,0|2,0,0]=4 15074 B10R0.83 COCSCC(C)C(=O)OC 62a_100000766300_100000698445 [0,2,0,0,0,0|2,0,0]=4 15075 B10R0.108 CCC(=O)COC(C)CCO 34a_100000725409_100009893172 [0,2,0,0,0,0|2,0,0]=4 15076 B10R0.108 CCC(=O)COC(C)COC 34a_100000725409_100000765312 [0,2,0,0,0,0|2,0,0]=4 15077 B10R0.108 CCC(=O)CSC(C)CCO 62a_100000747405_100009893172 [0,2,0,0,0,0|2,0,0]=4 15078 B10R0.108 CCC(=O)CSC(C)CCO 62a_100009893172_100000747405 [0,2,0,0,0,0|2,0,0]=4 15079 B10R0.108 CCC(=O)CSC(C)COC 62a_100000747405_100000765312 [0,2,0,0,0,0|2,0,0]=4 15080 B10R0.108 CCC(=O)CSC(C)COC 62a_100000765312_100000747405 [0,2,0,0,0,0|2,0,0]=4 15081 B10R0.108 CCC(=O)NCC(O)COC 240690a_100000756049_100000210414 [0,2,0,0,0,0|2,0,0]=4 15082 B10R0.108 CCC(=O)NCC(O)COC 527a_100000756049_100000210414 [0,2,0,0,0,0|2,0,0]=4 15083 B10R0.108 CCCC(=O)CCC(=O)NC 1458a_100011309844_100000210303 [0,2,0,0,0,0|0,0,1]=3 15084 B10R0.108 CCCC(=O)CCC(=O)OC 1458a_100000187943_100000210303 [0,2,0,0,0,0|0,0,1]=3 15085 B10R0.108 CCCC(=O)CCS(=O)CC 1458a_100011387550_100000210303 [0,2,0,0,0,0|1,0,1]=4 15086 B10R0.108 CCCC(=O)CNC(=O)CC 1458a_100000194589_100000210303 [0,2,0,0,0,0|1,0,1]=4 15087 B10R0.108 CCCC(=O)CNC(=O)OC 1458a_100000215747_100000210303 [0,2,0,0,0,0|1,0,1]=4 15088 B10R0.108 CCCC(=O)NCC(=O)NC 11a_100000693194_100000211992 [0,2,0,0,0,0|1,0,1]=4 15089 B10R0.108 CCCC(=O)NCC(=O)NC 240690a_100000693194_100000211992 [0,2,0,0,0,0|1,0,1]=4 15090 B10R0.108 CCCC(=O)NCC(=O)NC 527a_100000693194_100000211992 [0,2,0,0,0,0|1,0,1]=4 15091 B10R0.108 CCCC(=O)NCC(=O)OC 188690a_100000185156_100000211992 [0,2,0,0,0,0|1,0,1]=4 15092 B10R0.108 CCCC(=O)OCC(=O)CC 1458a_100000210414_100000034017 [0,2,0,0,0,0|1,0,1]=4 15093 B10R0.108 CCCC(=O)OCC(=O)CO 1458a_100000210174_100000034017 [0,2,0,0,0,0|1,0,1]=4 15094 B10R0.108 CCCC(C)CCC(C)NC 270004a_106832991635_200011216527 [0,2,0,0,0,0|1,0,1]=4 15095 B10R0.108 CCCC(C)NCC(=O)NC 2230a_100000693194_100000766640 [0,2,0,0,0,0|1,0,0]=3 15096 B10R0.108 CCCC(C)NCC(=O)NC 2230a_100000741246_100000183359 [0,2,0,0,0,0|1,0,0]=3 15097 B10R0.108 CCCC(C)NCC(=O)NC 270004a_100000693194_100000211909 [0,2,0,0,0,0|1,0,0]=3 15098 B10R0.108 CCCC(C)NCC(=O)OC 2230a_100000741246_100000747449 [0,2,0,0,0,0|1,0,0]=3 15099 B10R0.108 CCCC(C)OCC(=O)CC 34a_100000725409_100000766640 [0,2,0,0,0,0|1,0,0]=3 15100 B10R0.108 CCCC(C)OCC(=O)CC 7a_100000764384_100000747405 [0,2,0,0,0,0|1,0,0]=3 15101 B10R0.108 CCCC(C)OCC(=O)NC 34a_100000750040_100000766640 [0,2,0,0,0,0|1,0,0]=3 15102 B10R0.108 CCCC(C)OCC(=O)NC 34a_100000764384_100000183359 [0,2,0,0,0,0|1,0,0]=3 15103 B10R0.108 CCCC(C)OCC(=O)NC 7a_100000764384_100000183359 [0,2,0,0,0,0|1,0,0]=3 15104 B10R0.108 CCCC(C)OCC(=O)OC 34a_100000764384_100000747449 [0,2,0,0,0,0|1,0,0]=3 15105 B10R0.108 CCCC(C)OCC(=O)OC 7a_100000764384_100000747449 [0,2,0,0,0,0|1,0,0]=3 15106 B10R0.108 CCCC(C)SCC(=O)CC 62a_100000747405_100000766640 [0,2,0,0,0,0|1,0,0]=3 15107 B10R0.108 CCCC(C)SCC(=O)CC 62a_100000766640_100000747405 [0,2,0,0,0,0|1,0,0]=3 15108 B10R0.108 CCCC(C)SCC(=O)NC 62a_100000183359_100000766640 [0,2,0,0,0,0|1,0,0]=3 15109 B10R0.108 CCCC(C)SCC(=O)NC 62a_100000766640_100000183359 [0,2,0,0,0,0|1,0,0]=3 15110 B10R0.108 CCCC(C)SCC(=O)OC 62a_100000747449_100000766640 [0,2,0,0,0,0|1,0,0]=3 15111 B10R0.108 CCCC(C)SCC(=O)OC 62a_100000766640_100000747449 [0,2,0,0,0,0|1,0,0]=3 15112 B10R0.108 CCCN(C)CCC(=O)NC 2230a_100000747261_100000737683 [0,2,0,0,0,0|1,0,0]=3 15113 B10R0.108 CCCN(C)CCC(=O)NC 2230a_100000750875_100000210303 [0,2,0,0,0,0|1,0,0]=3 15114 B10R0.108 CCCN(C)CCC(=O)NC 269982a_100000747261_100000737683 [0,2,0,0,0,0|1,0,0]=3 15115 B10R0.108 CCCN(C)CCC(=O)NC 269982a_100000750875_100000210303 [0,2,0,0,0,0|1,0,0]=3 15116 B10R0.108 CCCN(C)CCC(=O)OC 2230a_100000747261_100000204255 [0,2,0,0,0,0|1,0,0]=3 15117 B10R0.108 CCCN(C)CCC(=O)OC 269982a_100000747261_100000204255 [0,2,0,0,0,0|1,0,0]=3 15118 B10R0.108 CCCN(C)CCC(=O)OC 269982a_100025711912_100000210303 [0,2,0,0,0,0|1,0,0]=3 15119 B10R0.108 CCNC(=O)CCC(=O)CC 1458a_100000199579_100000210202 [0,2,0,0,0,0|1,0,1]=4 15120 B10R0.108 CCNC(=O)CCC(=O)CF 1458a_100000199579_100015361967 [0,2,0,0,0,0|1,0,1]=4 15121 B10R0.108 CCNC(=O)CCC(=O)NC 11a_100015525214_100011309844 [0,2,0,0,0,0|1,0,1]=4 15122 B10R0.108 CCNC(=O)CCC(=O)NC 11a_106832991635_100000199579 [0,2,0,0,0,0|1,0,1]=4 15123 B10R0.108 CCNC(=O)CCC(=O)NC 1626a_100102657272_100000199579 [0,2,0,0,0,0|1,0,1]=4 15124 B10R0.108 CCNC(=O)CCC(=O)NC 240690a_100015525214_100011309844 [0,2,0,0,0,0|1,0,1]=4 15125 B10R0.108 CCNC(=O)CCC(=O)NC 240690a_100102657272_100000199579 [0,2,0,0,0,0|1,0,1]=4 15126 B10R0.108 CCNC(=O)CCC(=O)NC 527a_100015525214_100011309844 [0,2,0,0,0,0|1,0,1]=4 15127 B10R0.108 CCNC(=O)CCC(=O)OC 11a_100015525214_100000187943 [0,2,0,0,0,0|1,0,1]=4 15128 B10R0.108 CCNC(=O)CCC(=O)OC 240690a_100015525214_100000187943 [0,2,0,0,0,0|1,0,1]=4 15129 B10R0.108 CCNC(=O)CCC(=O)OC 527a_100015525214_100000187943 [0,2,0,0,0,0|1,0,1]=4 15130 B10R0.108 CCOC(=O)CCC(=O)CC 1458a_100000183558_100000210202 [0,2,0,0,0,0|1,0,1]=4 15131 B10R0.108 CCOC(=O)CCC(=O)CF 1458a_100000183558_100015361967 [0,2,0,0,0,0|1,0,1]=4 15132 B10R0.108 CCOC(=O)CCC(=O)NC 11a_106832991635_100000183558 [0,2,0,0,0,0|1,0,1]=4 15133 B10R0.108 CCOC(=O)CCC(=O)NC 1626a_100102657272_100000183558 [0,2,0,0,0,0|1,0,1]=4 15134 B10R0.108 CCOC(=O)CCC(=O)NC 240690a_100102657272_100000183558 [0,2,0,0,0,0|1,0,1]=4 15135 B10R0.108 CNC(=O)CCC(=O)CCF 1458a_100011309844_100011217306 [0,2,0,0,0,0|1,0,1]=4 15136 B10R0.108 CNC(=O)CCC(=O)CCO 1458a_100011309844_100000211926 [0,2,0,0,0,0|1,0,1]=4 15137 B10R0.108 CNC(=O)CCN(C)CCF 2230a_100000750875_100011217306 [0,2,0,0,0,0|2,0,0]=4 15138 B10R0.108 CNC(=O)CCN(C)CCF 269982a_100000750875_100011217306 [0,2,0,0,0,0|2,0,0]=4 15139 B10R0.108 CNC(=O)CCN(C)CCO 2230a_100000210263_100000737683 [0,2,0,0,0,0|2,0,0]=4 15140 B10R0.108 CNC(=O)CCN(C)CCO 2230a_100000750875_100000211926 [0,2,0,0,0,0|2,0,0]=4 15141 B10R0.108 CNC(=O)CCN(C)CCO 269982a_100000210263_100000737683 [0,2,0,0,0,0|2,0,0]=4 15142 B10R0.108 CNC(=O)CCN(C)CCO 269982a_100000750875_100000211926 [0,2,0,0,0,0|2,0,0]=4 15143 B10R0.108 CNC(=O)CCN(C)COC 2230a_100000750875_100000766300 [0,2,0,0,0,0|2,0,0]=4 15144 B10R0.108 CNC(=O)CCN(C)COC 269982a_100000750875_100000766300 [0,2,0,0,0,0|2,0,0]=4 15145 B10R0.108 CNC(=O)CCN(C)CSC 2230a_100000750875_100011218213 [0,2,0,0,0,0|2,0,0]=4 15146 B10R0.108 CNC(=O)CCN(C)CSC 269982a_100000750875_100011218213 [0,2,0,0,0,0|2,0,0]=4 15147 B10R0.108 CNC(=O)CNC(C)CCO 2230a_100000693194_100009893172 [0,2,0,0,0,0|2,0,0]=4 15148 B10R0.108 CNC(=O)CNC(C)COC 2230a_100000693194_100000765312 [0,2,0,0,0,0|2,0,0]=4 15149 B10R0.108 CNC(=O)CNC(C)COC 270004a_100000693194_100000749346 [0,2,0,0,0,0|2,0,0]=4 15150 B10R0.108 CNC(=O)CNC(C)CSC 270004a_100000693194_100011216314 [0,2,0,0,0,0|2,0,0]=4 15151 B10R0.108 CNC(=O)CN[C@H](C)CCO 2230a_100000706166_100000183359 [0,2,0,0,0,0|2,0,0]=4 15152 B10R0.108 CNC(=O)CN[C@H](C)CCO 34a_100000706166_100000183359 [0,2,0,0,0,0|2,0,0]=4 15153 B10R0.108 CNC(=O)CN[C@H](C)COC 2230a_100000764878_100000183359 [0,2,0,0,0,0|2,0,0]=4 15154 B10R0.108 CNC(=O)COC(C)CCBr 34a_100012276601_100000183359 [0,2,0,0,0,0|2,0,0]=4 15155 B10R0.108 CNC(=O)COC(C)CCO 34a_100000750040_100009893172 [0,2,0,0,0,0|2,0,0]=4 15156 B10R0.108 CNC(=O)COC(C)COC 34a_100000750040_100000765312 [0,2,0,0,0,0|2,0,0]=4 15157 B10R0.108 CNC(=O)CO[C@H](C)COC 34a_100011934205_100000183359 [0,2,0,0,0,0|2,0,0]=4 15158 B10R0.108 CNC(=O)CSC(C)CCO 62a_100000183359_100009893172 [0,2,0,0,0,0|2,0,0]=4 15159 B10R0.108 CNC(=O)CSC(C)CCO 62a_100009893172_100000183359 [0,2,0,0,0,0|2,0,0]=4 15160 B10R0.108 CNC(=O)CSC(C)COC 62a_100000183359_100000765312 [0,2,0,0,0,0|2,0,0]=4 15161 B10R0.108 CNC(=O)CSC(C)COC 62a_100000765312_100000183359 [0,2,0,0,0,0|2,0,0]=4 15162 B10R0.108 CNC(=O)NCC(O)COC 2708a_100102657272_100000756049 [0,2,0,0,0,0|2,0,0]=4 15163 B10R0.108 CNC(=O)NCC(O)COC 273464a_100000756049_100102657272 [0,2,0,0,0,0|2,0,0]=4 15164 B10R0.108 CNC(=O)NCC(O)COC 273464a_100102657272_100000756049 [0,2,0,0,0,0|2,0,0]=4 15165 B10R0.108 CNC(=O)NCC(O)COC 512a_100000756049_100102657272 [0,2,0,0,0,0|2,0,0]=4 15166 B10R0.108 CNC(=O)NCC(O)COC 512a_106832991638_100000756049 [0,2,0,0,0,0|2,0,0]=4 15167 B10R0.108 CNCC(=O)CCC(=O)OC 2230a_106832991635_100000691467 [0,2,0,0,0,0|1,0,1]=4 15168 B10R0.108 CNCC(=O)CCC(=O)OC 34a_100102657272_100000691467 [0,2,0,0,0,0|1,0,1]=4 15169 B10R0.108 CNCC(=O)CCC(=O)OC 7a_106832991635_100000691467 [0,2,0,0,0,0|1,0,1]=4 15170 B10R0.108 COC(=O)CCC(=O)CCF 1458a_100000187943_100011217306 [0,2,0,0,0,0|1,0,1]=4 15171 B10R0.108 COC(=O)CCC(=O)CCO 1458a_100000187943_100000211926 [0,2,0,0,0,0|1,0,1]=4 15172 B10R0.108 COC(=O)CCC(=O)CSC 62a_100000691467_200000210301 [0,2,0,0,0,0|1,0,1]=4 15173 B10R0.108 COC(=O)CCC(=O)CSC 62a_200000210301_100000691467 [0,2,0,0,0,0|1,0,1]=4 15174 B10R0.108 COC(=O)CCC(=O)CS[13CH3] 62a_100000691467_200025704644 [0,2,0,0,0,0|1,0,1]=4 15175 B10R0.108 COC(=O)CCC(=O)CS[13CH3] 62a_200025704644_100000691467 [0,2,0,0,0,0|1,0,1]=4 15176 B10R0.108 COC(=O)CCN(C)CCF 269982a_100025711912_100011217306 [0,2,0,0,0,0|2,0,0]=4 15177 B10R0.108 COC(=O)CCN(C)CCO 2230a_100000210263_100000204255 [0,2,0,0,0,0|2,0,0]=4 15178 B10R0.108 COC(=O)CCN(C)CCO 269982a_100000210263_100000204255 [0,2,0,0,0,0|2,0,0]=4 15179 B10R0.108 COC(=O)CCN(C)CCO 269982a_100025711912_100000211926 [0,2,0,0,0,0|2,0,0]=4 15180 B10R0.108 COC(=O)CCN(C)CSC 269982a_100025711912_100011218213 [0,2,0,0,0,0|2,0,0]=4 15181 B10R0.108 COC(=O)CN[C@H](C)CCO 2230a_100000706166_100000747449 [0,2,0,0,0,0|2,0,0]=4 15182 B10R0.108 COC(=O)CN[C@H](C)CCO 34a_100000706166_100000747449 [0,2,0,0,0,0|2,0,0]=4 15183 B10R0.108 COC(=O)COC(C)CCBr 34a_100012276601_100000747449 [0,2,0,0,0,0|2,0,0]=4 15184 B10R0.108 COC(=O)CSC(C)CCO 62a_100000747449_100009893172 [0,2,0,0,0,0|2,0,0]=4 15185 B10R0.108 COC(=O)CSC(C)CCO 62a_100009893172_100000747449 [0,2,0,0,0,0|2,0,0]=4 15186 B10R0.108 COCC(=O)CCC(=O)OC 34a_100138415774_100000691467 [0,2,0,0,0,0|1,0,1]=4 15187 B10R0.108 COCC(C)SCC(=O)OC 62a_100000747449_100000765312 [0,2,0,0,0,0|2,0,0]=4 15188 B10R0.108 COCC(C)SCC(=O)OC 62a_100000765312_100000747449 [0,2,0,0,0,0|2,0,0]=4 15189 B10R0.108 COCC(O)CNC(=O)CO 240690a_100000756049_100000210174 [0,2,0,0,0,0|2,0,0]=4 15190 B10R0.108 COCC(O)CNC(=O)CO 527a_100000756049_100000210174 [0,2,0,0,0,0|2,0,0]=4 15191 B10R0.108 COCN(C)CCC(=O)OC 269982a_100025711912_100000766300 [0,2,0,0,0,0|2,0,0]=4 15192 B10R0.108 COC[C@@H](C)NCC(=O)OC 2230a_100000764878_100000747449 [0,2,0,0,0,0|2,0,0]=4 15193 B10R0.108 COC[C@@H](C)OCC(=O)OC 34a_100011934205_100000747449 [0,2,0,0,0,0|2,0,0]=4 15194 B10R0.26 C=C(C)C(=O)CC(C)CCC 1458a_100000185857_100011216630 [0,2,0,0,0,0|1,0,1]=4 15195 B10R0.26 C=C(C)C(C)NC(C)CCC 269862a_100000741246_100011216138 [0,2,0,0,0,0|2,0,0]=4 15196 B10R0.26 CC(=O)C(C)N[C@H](C)CCO 2230a_100000706166_100009814033 [0,2,0,0,0,0|2,0,0]=4 15197 B10R0.26 CC(=O)C(C)OC(C)CCO 34a_100000212229_100009893172 [0,2,0,0,0,0|2,0,0]=4 15198 B10R0.26 CC(=O)C(C)SC(C)CCO 62a_100009814033_100009893172 [0,2,0,0,0,0|2,0,0]=4 15199 B10R0.26 CC(=O)C(C)SC(C)CCO 62a_100009893172_100009814033 [0,2,0,0,0,0|2,0,0]=4 15200 B10R0.26 CCCC(=O)CC(=O)C(=O)C 1458a_100000211992_100011261029 [0,2,0,0,0,0|0,0,2]=4 15201 B10R0.26 CCCC(=O)CN(C)C(=O)C 1458a_100000194957_100000210303 [0,2,0,0,0,0|1,0,1]=4 15202 B10R0.26 CCCC(=O)NC(C)C(=O)C 1458a_100000205598_200000210301 [0,2,0,0,0,0|1,0,1]=4 15203 B10R0.26 CCCC(=O)NC(C)C(=O)[13CH3] 1458a_100000205598_200025704644 [0,2,0,0,0,0|1,0,1]=4 15204 B10R0.26 CCCC(C)NC(C)C(=O)C 2230a_100000741246_100009814033 [0,2,0,0,0,0|1,0,0]=3 15205 B10R0.26 CCCC(C)NC(C)C(=O)N 2230a_100000741246_100000702099 [0,2,0,0,0,0|2,0,0]=4 15206 B10R0.26 CCCC(C)NC(F)C(=O)N 2230a_100000741246_100009813875 [0,2,0,0,0,0|2,0,0]=4 15207 B10R0.26 CCCC(C)N[C@@H](C)C(=O)O 269956a_100000743915_100000766640 [0,2,0,0,0,0|2,0,0]=4 15208 B10R0.26 CCCC(C)N[C@H](C)C(=O)N 2230a_100000119354_100000766640 [0,2,0,0,0,0|2,0,0]=4 15209 B10R0.26 CCCC(C)N[C@H](C)C(=O)N 270004a_100000119354_100000211909 [0,2,0,0,0,0|2,0,0]=4 15210 B10R0.26 CCCC(C)N[C@H](C)C(=O)N 34a_100000119354_100000766640 [0,2,0,0,0,0|2,0,0]=4 15211 B10R0.26 CCCC(C)OC(C)C(=O)C 34a_100000212229_100000766640 [0,2,0,0,0,0|1,0,0]=3 15212 B10R0.26 CCCC(C)OC(C)C(=O)C 7a_100000764384_100000179758 [0,2,0,0,0,0|1,0,0]=3 15213 B10R0.26 CCCC(C)OC(C)C(=O)N 34a_100000764384_100000702099 [0,2,0,0,0,0|2,0,0]=4 15214 B10R0.26 CCCC(C)OC(C)C(=O)N 7a_100000764384_100000702099 [0,2,0,0,0,0|2,0,0]=4 15215 B10R0.26 CCCC(C)OC(F)C(=O)N 34a_100000764384_100009813875 [0,2,0,0,0,0|2,0,0]=4 15216 B10R0.26 CCCC(C)OC(F)C(=O)N 7a_100000764384_100009813875 [0,2,0,0,0,0|2,0,0]=4 15217 B10R0.26 CCCC(C)OC(F)C(=O)[O-] 34a_100000764384_100020610796 [0,2,0,0,0,0|2,0,0]=4 15218 B10R0.26 CCCC(C)O[C@@H](C)C(=O)[O-] 7a_217856618621_100000766640 [0,2,0,0,0,0|2,0,0]=4 15219 B10R0.26 CCCC(C)O[C@H](C)C(=O)N 34a_100000731257_100000766640 [0,2,0,0,0,0|2,0,0]=4 15220 B10R0.26 CCCC(C)O[C@H](C)C(=O)N 7a_100000731257_100000766640 [0,2,0,0,0,0|2,0,0]=4 15221 B10R0.26 CCCC(C)SC(C)C(=O)C 62a_100000766640_100009814033 [0,2,0,0,0,0|1,0,0]=3 15222 B10R0.26 CCCC(C)SC(C)C(=O)C 62a_100009814033_100000766640 [0,2,0,0,0,0|1,0,0]=3 15223 B10R0.26 CCCC(C)SC(C)C(=O)N 62a_100000702099_100000766640 [0,2,0,0,0,0|2,0,0]=4 15224 B10R0.26 CCCC(C)SC(C)C(=O)N 62a_100000766640_100000702099 [0,2,0,0,0,0|2,0,0]=4 15225 B10R0.26 CCCC(C)SC(F)C(=O)N 62a_100000766640_100009813875 [0,2,0,0,0,0|2,0,0]=4 15226 B10R0.26 CCCC(C)SC(F)C(=O)N 62a_100009813875_100000766640 [0,2,0,0,0,0|2,0,0]=4 15227 B10R0.26 CCCC(C)SC(F)C(=O)[O-] 62a_100000766640_100020610796 [0,2,0,0,0,0|2,0,0]=4 15228 B10R0.26 CCCC(C)SC(F)C(=O)[O-] 62a_100020610796_100000766640 [0,2,0,0,0,0|2,0,0]=4 15229 B10R0.26 CCCN(C)CC(=O)C(=O)C 269982a_100000747261_100011261029 [0,2,0,0,0,0|1,0,1]=4 15230 B10R0.26 CCOC(=O)CC(C)C(=O)C 1458a_100000070787_100009817359 [0,2,0,0,0,0|1,0,1]=4 15231 B10R0.26 COCC(C)OC(C)C(=O)C 34a_100000212229_100000765312 [0,2,0,0,0,0|2,0,0]=4 15232 B10R0.26 COCC(C)SC(C)C(=O)C 62a_100000765312_100009814033 [0,2,0,0,0,0|2,0,0]=4 15233 B10R0.26 COCC(C)SC(C)C(=O)C 62a_100009814033_100000765312 [0,2,0,0,0,0|2,0,0]=4 15234 B10R0.26 COCC(O)CN(C)C(=O)C 240690a_100000739405_100015343762 [0,2,0,0,0,0|2,0,0]=4 15235 B10R0.26 COCC(O)CN(C)C(=O)C 527a_100000739405_100103153847 [0,2,0,0,0,0|2,0,0]=4 15236 B10R0.26 COC[C@@H](C)NC(C)C(=O)C 2230a_100000764878_100009814033 [0,2,0,0,0,0|2,0,0]=4 15237 B10R0.42 CC(=O)C(C)(C)OCCCF 34a_100000747739_100011934791 [0,2,0,0,0,0|2,0,0]=4 15238 B10R0.42 CC(=O)C(C)(C)OCCCF 7a_100000747739_100011934791 [0,2,0,0,0,0|2,0,0]=4 15239 B10R0.42 CC(=O)C(C)(C)OCCCO 34a_100000747739_100000230001 [0,2,0,0,0,0|2,0,0]=4 15240 B10R0.42 CC(=O)C(C)(C)OCCCO 7a_100000747739_100011215043 [0,2,0,0,0,0|2,0,0]=4 15241 B10R0.42 CC(=O)C(C)(C)SCCCF 62a_100000075568_100011934791 [0,2,0,0,0,0|2,0,0]=4 15242 B10R0.42 CC(=O)C(C)(C)SCCCF 62a_100011934791_100000075568 [0,2,0,0,0,0|2,0,0]=4 15243 B10R0.42 CC(=O)C(C)(C)SCCCO 62a_100000075568_100011215043 [0,2,0,0,0,0|2,0,0]=4 15244 B10R0.42 CC(=O)C(C)(C)SCCCO 62a_100011215043_100000075568 [0,2,0,0,0,0|2,0,0]=4 15245 B10R0.42 CCCCNC(C)(C)C(=O)C 7a_106832991798_100000075568 [0,2,0,0,0,0|1,0,0]=3 15246 B10R0.42 CCCCNC(C)(C)C(=O)N 2230a_100000102301_100000702505 [0,2,0,0,0,0|2,0,0]=4 15247 B10R0.42 CCCCNC(C)(C)C(=O)N 2230a_100000743658_100000210211 [0,2,0,0,0,0|2,0,0]=4 15248 B10R0.42 CCCCNC(C)(C)C(=O)N 34a_100000743658_100000210210 [0,2,0,0,0,0|2,0,0]=4 15249 B10R0.42 CCCCNC(C)(C)C(=O)N 7a_106832991798_100000702505 [0,2,0,0,0,0|2,0,0]=4 15250 B10R0.42 CCCCNC(F)(F)C(=O)N 7a_106832991798_100009811971 [0,2,0,0,0,0|2,0,0]=4 15251 B10R0.42 CCCCOC(C)(C)C(=O)C 34a_100000747739_100000210210 [0,2,0,0,0,0|1,0,0]=3 15252 B10R0.42 CCCCOC(C)(C)C(=O)C 7a_100000210227_100000075568 [0,2,0,0,0,0|1,0,0]=3 15253 B10R0.42 CCCCOC(C)(C)C(=O)C 7a_100000747739_100000210211 [0,2,0,0,0,0|1,0,0]=3 15254 B10R0.42 CCCCOC(C)(C)C(=O)N 34a_100000210227_100000702505 [0,2,0,0,0,0|2,0,0]=4 15255 B10R0.42 CCCCOC(C)(C)C(=O)N 34a_100011626353_100000210210 [0,2,0,0,0,0|2,0,0]=4 15256 B10R0.42 CCCCOC(C)(C)C(=O)N 7a_100000210227_100000702505 [0,2,0,0,0,0|2,0,0]=4 15257 B10R0.42 CCCCOC(C)(C)C(=O)N 7a_100011626353_100000210211 [0,2,0,0,0,0|2,0,0]=4 15258 B10R0.42 CCCCOC(F)(F)C(=O)N 7a_100000210227_100009811971 [0,2,0,0,0,0|2,0,0]=4 15259 B10R0.42 CCCCOC(F)(F)C(=O)[O-] 34a_100000210227_100020612412 [0,2,0,0,0,0|2,0,0]=4 15260 B10R0.42 CCCCSC(C)(C)C(=O)C 62a_100000075568_100000210210 [0,2,0,0,0,0|1,0,0]=3 15261 B10R0.42 CCCCSC(C)(C)C(=O)C 62a_100000210211_100000075568 [0,2,0,0,0,0|1,0,0]=3 15262 B10R0.42 CCCCSC(C)(C)C(=O)N 62a_100000210211_100000702505 [0,2,0,0,0,0|2,0,0]=4 15263 B10R0.42 CCCCSC(C)(C)C(=O)N 62a_100000702505_100000210210 [0,2,0,0,0,0|2,0,0]=4 15264 B10R0.42 CCCCSC(F)(F)C(=O)N 62a_100000210211_100009811971 [0,2,0,0,0,0|2,0,0]=4 15265 B10R0.42 CCCCSC(F)(F)C(=O)N 62a_100009811971_100000210210 [0,2,0,0,0,0|2,0,0]=4 15266 B10R0.42 CCCCSC(F)(F)C(=O)[O-] 62a_100000210211_100000745680 [0,2,0,0,0,0|2,0,0]=4 15267 B10R0.42 CCCCSC(F)(F)C(=O)[O-] 62a_100000745680_100000210210 [0,2,0,0,0,0|2,0,0]=4 15268 B10R0.42 CCCNCC(C)(C)C(=O)N 2230a_100000740840_100000210303 [0,2,0,0,0,0|2,0,0]=4 15269 B10R0.42 CCCNCC(C)(C)C(=O)N 34a_100000740840_100000210303 [0,2,0,0,0,0|2,0,0]=4 15270 B10R0.42 CCCNCC(C)(C)C(=O)O 269956a_100000693527_100000210207 [0,2,0,0,0,0|2,0,0]=4 15271 B10R0.42 CCCNCC(F)(F)C(=O)O 269956a_100000734215_100000210207 [0,2,0,0,0,0|2,0,0]=4 15272 B10R0.42 CCCOCC(C)(C)C(=O)N 34a_100000210258_200009895572 [0,2,0,0,0,0|2,0,0]=4 15273 B10R0.42 CCCSCC(C)(C)C(=O)N 62a_100000210303_200009895572 [0,2,0,0,0,0|2,0,0]=4 15274 B10R0.42 CCCSCC(C)(C)C(=O)N 62a_200009895572_100000210303 [0,2,0,0,0,0|2,0,0]=4 15275 B10R0.42 CCOCSC(C)(C)C(=O)C 62a_100000075568_100000739092 [0,2,0,0,0,0|2,0,0]=4 15276 B10R0.42 CCOCSC(C)(C)C(=O)C 62a_100000739092_100000075568 [0,2,0,0,0,0|2,0,0]=4 15277 B10R0.42 COCCOC(C)(C)C(=O)C 34a_100000747739_100011201679 [0,2,0,0,0,0|2,0,0]=4 15278 B10R0.42 COCCOC(C)(C)C(=O)C 7a_100000747739_100000233755 [0,2,0,0,0,0|2,0,0]=4 15279 B10R0.42 COCCSC(C)(C)C(=O)C 62a_100000075568_100000233755 [0,2,0,0,0,0|2,0,0]=4 15280 B10R0.42 COCCSC(C)(C)C(=O)C 62a_100000233755_100000075568 [0,2,0,0,0,0|2,0,0]=4 15281 B10R0.42 CSCCOC(C)(C)C(=O)C 34a_100000747739_100000212216 [0,2,0,0,0,0|2,0,0]=4 15282 B10R0.42 CSCCOC(C)(C)C(=O)C 7a_100000230434_100000075568 [0,2,0,0,0,0|2,0,0]=4 15283 B10R0.42 CSCCOC(C)(C)C(=O)C 7a_100000747739_100000212216 [0,2,0,0,0,0|2,0,0]=4 15284 B10R0.42 CSCCSC(C)(C)C(=O)C 62a_100000075568_100000751147 [0,2,0,0,0,0|2,0,0]=4 15285 B10R0.42 CSCCSC(C)(C)C(=O)C 62a_100000212216_100000075568 [0,2,0,0,0,0|2,0,0]=4 15286 B10R0.86 C=C[C@H](NCCCC)C(=O)O 269956a_100016992060_100000210211 [0,2,0,0,0,0|2,0,0]=4 15287 B10R0.86 CCCCCC(CC)C(=O)C 1458a_100000697129_200000210301 [0,2,0,0,0,0|0,0,0]=2 15288 B10R0.86 CCCCCC(CC)C(=O)[13CH3] 1458a_100000697129_200025704644 [0,2,0,0,0,0|0,0,0]=2 15289 B10R0.86 CCCCCC(CC)N(C)C 270004a_100102631434_100011215316 [0,2,0,0,0,0|2,0,0]=4 15290 B10R0.86 CCCCCC(OC)C(C)C 34a_200011216997_200000210301 [0,2,0,0,0,0|1,0,1]=4 15291 B10R0.86 CCCCCC(OC)C(C)C 7a_200011216997_200000210301 [0,2,0,0,0,0|1,0,1]=4 15292 B10R0.86 CCCCCC(O[13CH3])C(C)C 34a_200011216997_200025704644 [0,2,0,0,0,0|1,0,1]=4 15293 B10R0.86 CCCCCC(O[13CH3])C(C)C 7a_200011216997_200025704644 [0,2,0,0,0,0|1,0,1]=4 15294 B10R0.86 CCCCNC(C#N)C(=O)N 2230a_100000039599_100000210211 [0,2,0,0,0,0|2,0,0]=4 15295 B10R0.86 CCCCNC(CC)C(=O)N 2230a_100000102301_100000750255 [0,2,0,0,0,0|2,0,0]=4 15296 B10R0.86 CCCCNC(CC)C(=O)N 2230a_100000733705_100000210211 [0,2,0,0,0,0|2,0,0]=4 15297 B10R0.86 CCCCNC(CC)C(=O)N 34a_100000733705_100000210210 [0,2,0,0,0,0|2,0,0]=4 15298 B10R0.86 CCCCNC(CC)C(=O)N 7a_106832991798_100000750255 [0,2,0,0,0,0|2,0,0]=4 15299 B10R0.86 CCCCNC(CO)C(=O)O 269956a_100000187304_100000210211 [0,2,0,0,0,0|2,0,0]=4 15300 B10R0.86 CCCCN[C@@H](CO)C(=O)N 2230a_100000729942_100000210211 [0,2,0,0,0,0|2,0,0]=4 15301 B10R0.86 CCCCN[C@@H](CO)C(=O)N 34a_100000729942_100000210210 [0,2,0,0,0,0|2,0,0]=4 15302 B10R0.86 CCCCN[C@H](CC)C(=O)O 269956a_100000747097_100000210211 [0,2,0,0,0,0|2,0,0]=4 15303 B10R0.86 CCCCOC(CC)C(=O)N 34a_100000210227_100000750255 [0,2,0,0,0,0|2,0,0]=4 15304 B10R0.86 CCCCOC(CC)C(=O)N 7a_100000210227_100000750255 [0,2,0,0,0,0|2,0,0]=4 15305 B10R0.86 CCCCSC(CC)C(=O)N 62a_100000210211_100000750255 [0,2,0,0,0,0|2,0,0]=4 15306 B10R0.86 CCCCSC(CC)C(=O)N 62a_100000750255_100000210210 [0,2,0,0,0,0|2,0,0]=4 15307 B10R0.86 CCN(CCCCO)C(=O)C 240690a_100011217355_100015343762 [0,2,0,0,0,0|2,0,0]=4 15308 B10R0.27 C#CC(CCC)OCC(=C)C 34a_200011217317_100000748629 [0,2,0,0,0,0|2,0,0]=4 15309 B10R0.27 C#CC(CCC)OCC(=C)C 7a_200011217317_100000748629 [0,2,0,0,0,0|2,0,0]=4 15310 B10R0.27 C#CC(CCC)OCC(=O)N 34a_200011217317_100000187820 [0,2,0,0,0,0|2,0,0]=4 15311 B10R0.27 C#CC(CCC)OCC(=O)N 7a_200011217317_100000187820 [0,2,0,0,0,0|2,0,0]=4 15312 B10R0.27 C#CC(CCC)OCC(=O)[O-] 34a_200011217317_100020667443 [0,2,0,0,0,0|2,0,0]=4 15313 B10R0.27 C=C(C)CCN(CC)CCC 2230a_100000226822_100000730704 [0,2,0,0,0,0|2,0,0]=4 15314 B10R0.27 C=C(C)CCN(CC)CCC 269982a_100000226822_100000730704 [0,2,0,0,0,0|2,0,0]=4 15315 B10R0.27 C=C(C)CNC(CC)CCC 2230a_100000747048_100000748629 [0,2,0,0,0,0|2,0,0]=4 15316 B10R0.27 C=C(C)CN[C@H](CO)CCC 2230a_100000732646_100000748629 [0,2,0,0,0,0|2,0,0]=4 15317 B10R0.27 C=C(C)CN[C@H](CO)CCC 34a_100000732646_100000748629 [0,2,0,0,0,0|2,0,0]=4 15318 B10R0.27 C=C(C)COC(C#N)CCC 34a_100000686963_100000748629 [0,2,0,0,0,0|2,0,0]=4 15319 B10R0.27 C=C(C)COC(C#N)CCC 7a_100000686963_100000748629 [0,2,0,0,0,0|2,0,0]=4 15320 B10R0.27 C=C(C)COC(CC)CCC 34a_100000687864_100000748629 [0,2,0,0,0,0|2,0,0]=4 15321 B10R0.27 C=C(C)COC(CC)CCC 7a_100000687864_100000748629 [0,2,0,0,0,0|2,0,0]=4 15322 B10R0.27 C=C(C)CSC(CC)CCC 62a_100000748629_100011219200 [0,2,0,0,0,0|2,0,0]=4 15323 B10R0.27 C=C(C)CSC(CC)CCC 62a_100011219200_100000211660 [0,2,0,0,0,0|2,0,0]=4 15324 B10R0.27 C=CC(CCC)OCC(=C)C 34a_100011216692_100000748629 [0,2,0,0,0,0|2,0,0]=4 15325 B10R0.27 C=CC(CCC)OCC(=C)C 7a_100011216692_100000748629 [0,2,0,0,0,0|2,0,0]=4 15326 B10R0.27 C=CC(CCC)OCC(=O)N 34a_100011216692_100000187820 [0,2,0,0,0,0|2,0,0]=4 15327 B10R0.27 C=CC(CCC)OCC(=O)N 7a_100011216692_100000187820 [0,2,0,0,0,0|2,0,0]=4 15328 B10R0.27 C=CC(CCC)OCC(=O)[O-] 34a_100011216692_100020667443 [0,2,0,0,0,0|2,0,0]=4 15329 B10R0.27 CCCC(C#N)OCC(=O)N 34a_100000686963_100000187820 [0,2,0,0,0,0|2,0,0]=4 15330 B10R0.27 CCCC(C#N)OCC(=O)N 7a_100000686963_100000187820 [0,2,0,0,0,0|2,0,0]=4 15331 B10R0.27 CCCC(C#N)OCC(=O)[O-] 34a_100000686963_100020667443 [0,2,0,0,0,0|2,0,0]=4 15332 B10R0.27 CCCC(CC)NCC(=O)N 2230a_100000747048_100000747473 [0,2,0,0,0,0|2,0,0]=4 15333 B10R0.27 CCCC(CC)NCC(=O)O 269956a_100016091260_100011219200 [0,2,0,0,0,0|2,0,0]=4 15334 B10R0.27 CCCC(CC)OCC(=O)N 34a_100000687864_100000187820 [0,2,0,0,0,0|2,0,0]=4 15335 B10R0.27 CCCC(CC)OCC(=O)N 7a_100000687864_100000187820 [0,2,0,0,0,0|2,0,0]=4 15336 B10R0.27 CCCC(CC)OCC(=O)[O-] 34a_100000687864_100020667443 [0,2,0,0,0,0|2,0,0]=4 15337 B10R0.27 CCCC(CC)SCC(=O)N 62a_100000747473_100011219200 [0,2,0,0,0,0|2,0,0]=4 15338 B10R0.27 CCCC(CC)SCC(=O)N 62a_100011219200_100000747473 [0,2,0,0,0,0|2,0,0]=4 15339 B10R0.27 CCCC(CC)SCC(=O)[O-] 62a_100011219200_100020667443 [0,2,0,0,0,0|2,0,0]=4 15340 B10R0.27 CCCC(CC)SCC(=O)[O-] 62a_100020667443_100011219200 [0,2,0,0,0,0|2,0,0]=4 15341 B10R0.27 CCCN(CC)CCC(=O)C 269982a_100000226822_100000053229 [0,2,0,0,0,0|1,0,0]=3 15342 B10R0.27 CCCN(CC)CCC(=O)N 2230a_100000226822_100000744528 [0,2,0,0,0,0|2,0,0]=4 15343 B10R0.27 CCCN(CC)CCC(=O)N 2230a_100020645749_100000210303 [0,2,0,0,0,0|2,0,0]=4 15344 B10R0.27 CCCN(CC)CCC(=O)N 269982a_100000226822_100000744528 [0,2,0,0,0,0|2,0,0]=4 15345 B10R0.27 CCCN(CC)COC(=O)C 269982a_100000226822_100000076356 [0,2,0,0,0,0|2,0,0]=4 15346 B10R0.27 CCC[C@@H](CO)NCC(=O)N 2230a_100000732646_100000747473 [0,2,0,0,0,0|2,0,0]=4 15347 B10R0.27 CCC[C@@H](CO)NCC(=O)N 34a_100000732646_100000187820 [0,2,0,0,0,0|2,0,0]=4 15348 B10R0.27 CCC[C@@H](CO)NCC(=O)[O-] 34a_100000732646_100020667443 [0,2,0,0,0,0|2,0,0]=4 15349 B10R0.27 CCN(CCO)CCC(=O)C 269982a_100000210973_100000053229 [0,2,0,0,0,0|2,0,0]=4 15350 B10R0.27 CCOC(CC)CNC(=O)C 11a_100015183923_100015343762 [0,2,0,0,0,0|2,0,0]=4 15351 B10R0.27 CCOC(CC)CNC(=O)C 1626a_100015183923_100015343762 [0,2,0,0,0,0|2,0,0]=4 15352 B10R0.27 CCOC(CC)CNC(=O)C 240690a_100015183923_100015343762 [0,2,0,0,0,0|2,0,0]=4 15353 B10R0.27 CCOC(CC)CNC(=O)C 527a_100015183923_100103153847 [0,2,0,0,0,0|2,0,0]=4 15354 B10R0.27 CCOC(CCl)COC(=O)C 7a_200000139349_100000210202 [0,2,0,0,0,0|2,0,0]=4 15355 B10R0.105 C=C(C)COC(C)(C)CCC 7a_100000748436_100000748629 [0,2,0,0,0,0|2,0,0]=4 15356 B10R0.105 CCCC(C)(C)OCC(=O)N 7a_100000748436_100000187820 [0,2,0,0,0,0|2,0,0]=4 15357 B10R0.105 COCC(C)(C)CNC(=O)C 11a_100000734190_100015343762 [0,2,0,0,0,0|2,0,0]=4 15358 B10R0.105 COCC(C)(C)CNC(=O)C 1626a_100000734190_100015343762 [0,2,0,0,0,0|2,0,0]=4 15359 B10R0.105 COCC(C)(C)CNC(=O)C 240690a_100000734190_100015343762 [0,2,0,0,0,0|2,0,0]=4 15360 B10R0.105 COCC(C)(C)CNC(=O)C 527a_100000734190_100103153847 [0,2,0,0,0,0|2,0,0]=4 15361 B8R1.2 CCN1CC=CCC1 2230a_100000698166_100000210202 [1,0,0,1,0,0|1,0,1]=4 15362 B8R1.2 CCN1CC=CCC1 269982a_100000698166_100000204670 [1,0,0,1,0,0|1,0,1]=4 15363 B8R1.2 CCN1CC=CCC1 34a_100000698166_100000210202 [1,0,0,1,0,0|1,0,1]=4 15364 B8R1.2 CCN1CCCOC1 2230a_100000131196_100000210202 [1,0,0,1,0,0|2,0,0]=4 15365 B8R1.2 CCN1CCCOC1 269982a_100000131196_100000204670 [1,0,0,1,0,0|2,0,0]=4 15366 B8R1.2 CCN1CCCOC1 34a_100000131196_100000210202 [1,0,0,1,0,0|2,0,0]=4 15367 B8R1.2 CNC1C=CCCC1 2230a_106832991635_100000751183 [1,0,0,1,0,0|1,0,1]=4 15368 B8R1.2 CNC1C=CCCC1 7a_106832991635_100000751183 [1,0,0,1,0,0|1,0,1]=4 15369 B8R1.2 CNC1CCCCC1 2230a_100000182618_200000210301 [1,0,0,1,0,0|1,0,0]=3 15370 B8R1.2 CNC1CCCCC1 270004a_106832991635_100000210434 [1,0,0,1,0,0|1,0,0]=3 15371 B8R1.2 CNC1CCCCC1 34a_100000182618_200000210301 [1,0,0,1,0,0|1,0,0]=3 15372 B8R1.2 CNC1CCCCC1 34a_100102657272_100000210327 [1,0,0,1,0,0|1,0,0]=3 15373 B8R1.2 CNC1CCCCC1 7a_106832991635_100000210327 [1,0,0,1,0,0|1,0,0]=3 15374 B8R1.2 CNC1CCCOC1 2230a_100000719290_200000210301 [1,0,0,1,0,0|2,0,0]=4 15375 B8R1.2 CNC1CCCOC1 270004a_106832991635_100000753404 [1,0,0,1,0,0|2,0,0]=4 15376 B8R1.2 CNC1CCCOC1 34a_100000719290_200000210301 [1,0,0,1,0,0|2,0,0]=4 15377 B8R1.2 CNC1CCCOC1 34a_100102657272_100000693364 [1,0,0,1,0,0|2,0,0]=4 15378 B8R1.2 CNC1CCCOC1 7a_106832991635_100000693364 [1,0,0,1,0,0|2,0,0]=4 15379 B8R1.2 CNC1CCCSC1 270004a_106832991635_100000057913 [1,0,0,1,0,0|2,0,0]=4 15380 B8R1.2 CNC1CCNCC1 270004a_106832991635_100015192401 [1,0,0,1,0,0|2,0,0]=4 15381 B8R1.2 CNC1CCOCC1 2230a_100000741149_200000210301 [1,0,0,1,0,0|2,0,0]=4 15382 B8R1.2 CNC1CCOCC1 270004a_106832991635_100011217826 [1,0,0,1,0,0|2,0,0]=4 15383 B8R1.2 CNC1CCOCC1 34a_100000741149_200000210301 [1,0,0,1,0,0|2,0,0]=4 15384 B8R1.2 CNC1CCOCC1 7a_106832991635_100000686592 [1,0,0,1,0,0|2,0,0]=4 15385 B8R1.2 CNC1CCSCC1 2230a_100000748639_200000210301 [1,0,0,1,0,0|2,0,0]=4 15386 B8R1.2 CNC1CCSCC1 270004a_106832991635_100000203788 [1,0,0,1,0,0|2,0,0]=4 15387 B8R1.2 CNC1CCSCC1 34a_100000748639_200000210301 [1,0,0,1,0,0|2,0,0]=4 15388 B8R1.2 CNC1CCSCC1 34a_100102657272_100000069128 [1,0,0,1,0,0|2,0,0]=4 15389 B8R1.2 CNC1CCSCC1 7a_106832991635_100011500858 [1,0,0,1,0,0|2,0,0]=4 15390 B8R1.2 COC1C=CCCC1 34a_100011215024_200000210301 [1,0,0,1,0,0|1,0,1]=4 15391 B8R1.2 COC1CC=CCC1 34a_100000073881_200000210301 [1,0,0,1,0,0|1,0,1]=4 15392 B8R1.2 COC1CCCCC1 34a_100000210231_200000210301 [1,0,0,1,0,0|1,0,0]=3 15393 B8R1.2 COC1CCCCC1 34a_100138415774_100000210327 [1,0,0,1,0,0|1,0,0]=3 15394 B8R1.2 COC1CCCCC1 7a_100000210231_200000210301 [1,0,0,1,0,0|1,0,0]=3 15395 B8R1.2 COC1CCCCO1 34a_100000033831_200000210301 [1,0,0,1,0,0|2,0,0]=4 15396 B8R1.2 COC1CCCOC1 34a_100000754041_200000210301 [1,0,0,1,0,0|2,0,0]=4 15397 B8R1.2 COC1CCCOC1 34a_100138415774_100000693364 [1,0,0,1,0,0|2,0,0]=4 15398 B8R1.2 COC1CCCSC1 7a_100015962668_200000210301 [1,0,0,1,0,0|2,0,0]=4 15399 B8R1.2 COC1CCOCC1 34a_100000744328_200000210301 [1,0,0,1,0,0|2,0,0]=4 15400 B8R1.2 COC1CCSCC1 34a_100000731022_200000210301 [1,0,0,1,0,0|2,0,0]=4 15401 B8R1.2 COC1CCSCC1 34a_100138415774_100000069128 [1,0,0,1,0,0|2,0,0]=4 15402 B8R1.2 COC1CCSCC1 7a_100000731022_200000210301 [1,0,0,1,0,0|2,0,0]=4 15403 B8R1.2 CSC1C=CCCC1 62a_100000751183_200000210301 [1,0,0,1,0,0|1,0,1]=4 15404 B8R1.2 CSC1C=CCCC1 62a_200000210301_100000751183 [1,0,0,1,0,0|1,0,1]=4 15405 B8R1.2 CSC1CCCCC1 62a_100000210327_200000210301 [1,0,0,1,0,0|1,0,0]=3 15406 B8R1.2 CSC1CCCCC1 62a_200000210301_100000210327 [1,0,0,1,0,0|1,0,0]=3 15407 B8R1.2 CSC1CCCOC1 62a_200000210301_100000693364 [1,0,0,1,0,0|2,0,0]=4 15408 B8R1.2 CSC1CCOCC1 62a_200000210301_100011324220 [1,0,0,1,0,0|2,0,0]=4 15409 B8R1.2 CSC1CCSCC1 62a_200000210301_100000069128 [1,0,0,1,0,0|2,0,0]=4 15410 B8R1.2 [13CH3]NC1CCCCC1 2230a_100000182618_200025704644 [1,0,0,1,0,0|1,0,0]=3 15411 B8R1.2 [13CH3]NC1CCCCC1 34a_100000182618_200025704644 [1,0,0,1,0,0|1,0,0]=3 15412 B8R1.2 [13CH3]NC1CCCOC1 2230a_100000719290_200025704644 [1,0,0,1,0,0|2,0,0]=4 15413 B8R1.2 [13CH3]NC1CCCOC1 34a_100000719290_200025704644 [1,0,0,1,0,0|2,0,0]=4 15414 B8R1.2 [13CH3]NC1CCOCC1 2230a_100000741149_200025704644 [1,0,0,1,0,0|2,0,0]=4 15415 B8R1.2 [13CH3]NC1CCOCC1 34a_100000741149_200025704644 [1,0,0,1,0,0|2,0,0]=4 15416 B8R1.2 [13CH3]NC1CCSCC1 2230a_100000748639_200025704644 [1,0,0,1,0,0|2,0,0]=4 15417 B8R1.2 [13CH3]NC1CCSCC1 34a_100000748639_200025704644 [1,0,0,1,0,0|2,0,0]=4 15418 B8R1.2 [13CH3]OC1C=CCCC1 34a_100011215024_200025704644 [1,0,0,1,0,0|1,0,1]=4 15419 B8R1.2 [13CH3]OC1CC=CCC1 34a_100000073881_200025704644 [1,0,0,1,0,0|1,0,1]=4 15420 B8R1.2 [13CH3]OC1CCCCC1 34a_100000210231_200025704644 [1,0,0,1,0,0|1,0,0]=3 15421 B8R1.2 [13CH3]OC1CCCCC1 7a_100000210231_200025704644 [1,0,0,1,0,0|1,0,0]=3 15422 B8R1.2 [13CH3]OC1CCCCO1 34a_100000033831_200025704644 [1,0,0,1,0,0|2,0,0]=4 15423 B8R1.2 [13CH3]OC1CCCOC1 34a_100000754041_200025704644 [1,0,0,1,0,0|2,0,0]=4 15424 B8R1.2 [13CH3]OC1CCCSC1 7a_100015962668_200025704644 [1,0,0,1,0,0|2,0,0]=4 15425 B8R1.2 [13CH3]OC1CCOCC1 34a_100000744328_200025704644 [1,0,0,1,0,0|2,0,0]=4 15426 B8R1.2 [13CH3]OC1CCSCC1 34a_100000731022_200025704644 [1,0,0,1,0,0|2,0,0]=4 15427 B8R1.2 [13CH3]OC1CCSCC1 7a_100000731022_200025704644 [1,0,0,1,0,0|2,0,0]=4 15428 B8R1.2 [13CH3]SC1C=CCCC1 62a_100000751183_200025704644 [1,0,0,1,0,0|1,0,1]=4 15429 B8R1.2 [13CH3]SC1C=CCCC1 62a_200025704644_100000751183 [1,0,0,1,0,0|1,0,1]=4 15430 B8R1.2 [13CH3]SC1CCCCC1 62a_100000210327_200025704644 [1,0,0,1,0,0|1,0,0]=3 15431 B8R1.2 [13CH3]SC1CCCCC1 62a_200025704644_100000210327 [1,0,0,1,0,0|1,0,0]=3 15432 B8R1.2 [13CH3]SC1CCCOC1 62a_200025704644_100000693364 [1,0,0,1,0,0|2,0,0]=4 15433 B8R1.2 [13CH3]SC1CCOCC1 62a_200025704644_100011324220 [1,0,0,1,0,0|2,0,0]=4 15434 B8R1.2 [13CH3]SC1CCSCC1 62a_200025704644_100000069128 [1,0,0,1,0,0|2,0,0]=4 15435 B8R1.5 CC1CCCCN1C 2230a_100000211376_200000210301 [1,0,0,1,0,0|1,0,0]=3 15436 B8R1.5 CC1CCCCN1C 269982a_100000211376_200000210301 [1,0,0,1,0,0|1,0,0]=3 15437 B8R1.5 CC1CCCCN1C 34a_100000211376_200000210301 [1,0,0,1,0,0|1,0,0]=3 15438 B8R1.5 CC1CCCCN1[13CH3] 2230a_100000211376_200025704644 [1,0,0,1,0,0|1,0,0]=3 15439 B8R1.5 CC1CCCCN1[13CH3] 269982a_100000211376_200025704644 [1,0,0,1,0,0|1,0,0]=3 15440 B8R1.5 CC1CCCCN1[13CH3] 34a_100000211376_200025704644 [1,0,0,1,0,0|1,0,0]=3 15441 B8R1.5 C[C@H]1COCCN1C 2230a_100009815349_200000210301 [1,0,0,1,0,0|2,0,0]=4 15442 B8R1.5 C[C@H]1COCCN1C 269982a_100009815349_200000210301 [1,0,0,1,0,0|2,0,0]=4 15443 B8R1.5 C[C@H]1COCCN1C 34a_100009815349_200000210301 [1,0,0,1,0,0|2,0,0]=4 15444 B8R1.5 C[C@H]1COCCN1[13CH3] 2230a_100009815349_200025704644 [1,0,0,1,0,0|2,0,0]=4 15445 B8R1.5 C[C@H]1COCCN1[13CH3] 269982a_100009815349_200025704644 [1,0,0,1,0,0|2,0,0]=4 15446 B8R1.5 C[C@H]1COCCN1[13CH3] 34a_100009815349_200025704644 [1,0,0,1,0,0|2,0,0]=4 15447 B8R1.8 C=CCN1CCCC1 2230a_100000188435_100000210623 [1,0,0,1,0,0|1,0,1]=4 15448 B8R1.8 C=CCN1CCCC1 269982a_100000188435_100000210623 [1,0,0,1,0,0|1,0,1]=4 15449 B8R1.8 CCCN1CC=CC1 269982a_100015195280_100000210303 [1,0,0,1,0,0|1,0,1]=4 15450 B8R1.8 CCCN1CCCC1 2230a_100000188435_100000210303 [1,0,0,1,0,0|1,0,1]=4 15451 B8R1.8 CCCN1CCCC1 269982a_100000188435_100000210303 [1,0,0,1,0,0|1,0,1]=4 15452 B8R1.8 CCCN1CCSC1 2230a_100011215254_100000210303 [1,0,0,1,0,0|2,0,0]=4 15453 B8R1.8 CCCN1CCSC1 269982a_100011215254_100000210303 [1,0,0,1,0,0|2,0,0]=4 15454 B8R1.8 CCNC1CC=CC1 2230a_100015188752_100000210202 [1,0,0,1,0,0|1,0,1]=4 15455 B8R1.8 CCNC1CCCC1 2230a_100000211070_100000210202 [1,0,0,1,0,0|1,0,1]=4 15456 B8R1.8 CCNC1CCCC1 2230a_100015525214_100000179811 [1,0,0,1,0,0|1,0,1]=4 15457 B8R1.8 CCNC1CCCC1 270004a_100015525214_100000210133 [1,0,0,1,0,0|1,0,1]=4 15458 B8R1.8 CCNC1CCCC1 34a_100000211070_100000210202 [1,0,0,1,0,0|1,0,1]=4 15459 B8R1.8 CCNC1CCOC1 2230a_100015525214_100000731011 [1,0,0,1,0,0|2,0,0]=4 15460 B8R1.8 CCNC1CCOC1 270004a_100015525214_100000752484 [1,0,0,1,0,0|2,0,0]=4 15461 B8R1.8 CCNC1CCSC1 270004a_100015525214_100000212027 [1,0,0,1,0,0|2,0,0]=4 15462 B8R1.8 CCN[C@@H]1CCOC1 2230a_200015188469_100000210202 [1,0,0,1,0,0|2,0,0]=4 15463 B8R1.8 CCN[C@H]1CCOC1 2230a_100015188467_100000210202 [1,0,0,1,0,0|2,0,0]=4 15464 B8R1.8 CCN[C@H]1CCOC1 34a_100015188467_100000210202 [1,0,0,1,0,0|2,0,0]=4 15465 B8R1.8 CCOC1CCCC1 34a_100000210269_100000210202 [1,0,0,1,0,0|1,0,1]=4 15466 B8R1.8 CCOC1CCCC1 34a_100121572206_100000179811 [1,0,0,1,0,0|1,0,1]=4 15467 B8R1.8 CCOC1CCCC1 7a_100000210269_100000210202 [1,0,0,1,0,0|1,0,1]=4 15468 B8R1.8 CCOC1CCOC1 34a_100121572206_100000690089 [1,0,0,1,0,0|2,0,0]=4 15469 B8R1.8 CCOC1CCSC1 7a_100011232664_100000210202 [1,0,0,1,0,0|2,0,0]=4 15470 B8R1.8 CCO[C@H]1CCOC1 34a_100000717292_100000210202 [1,0,0,1,0,0|2,0,0]=4 15471 B8R1.8 CCSC1CCCC1 62a_100000210202_100000179811 [1,0,0,1,0,0|1,0,1]=4 15472 B8R1.8 CCSC1CCCC1 62a_100011217020_100000210202 [1,0,0,1,0,0|1,0,1]=4 15473 B8R1.8 CCSC1CCOC1 62a_100000210202_100000690089 [1,0,0,1,0,0|2,0,0]=4 15474 B8R1.8 CNCC1CCCC1 2230a_100000737975_200000210301 [1,0,0,1,0,0|1,0,0]=3 15475 B8R1.8 CNCC1CCCC1 2230a_106832991635_100000740388 [1,0,0,1,0,0|1,0,0]=3 15476 B8R1.8 CNCC1CCCC1 269862a_106832991636_100000746403 [1,0,0,1,0,0|1,0,0]=3 15477 B8R1.8 CNCC1CCCC1 34a_100000737975_200000210301 [1,0,0,1,0,0|1,0,0]=3 15478 B8R1.8 CNCC1CCCC1 34a_100102657272_100000740388 [1,0,0,1,0,0|1,0,0]=3 15479 B8R1.8 CNCC1CCCC1 7a_106832991635_100000740388 [1,0,0,1,0,0|1,0,0]=3 15480 B8R1.8 CNCC1CCCO1 2230a_106832991635_100000203698 [1,0,0,1,0,0|2,0,0]=4 15481 B8R1.8 CNCC1CCCO1 7a_106832991635_100000203698 [1,0,0,1,0,0|2,0,0]=4 15482 B8R1.8 CNCC1CCOC1 2230a_100000737293_200000210301 [1,0,0,1,0,0|2,0,0]=4 15483 B8R1.8 CNCC1CCOC1 2230a_106832991635_100000702531 [1,0,0,1,0,0|2,0,0]=4 15484 B8R1.8 CNCC1CCOC1 34a_100000737293_200000210301 [1,0,0,1,0,0|2,0,0]=4 15485 B8R1.8 CNCC1CCOC1 34a_100102657272_100011261433 [1,0,0,1,0,0|2,0,0]=4 15486 B8R1.8 CNCC1CCOC1 7a_106832991635_100000702531 [1,0,0,1,0,0|2,0,0]=4 15487 B8R1.8 CNC[C@@H]1CCCO1 2230a_100020590478_200000210301 [1,0,0,1,0,0|2,0,0]=4 15488 B8R1.8 CNC[C@@H]1CCCO1 34a_100020590478_200000210301 [1,0,0,1,0,0|2,0,0]=4 15489 B8R1.8 COCC1CC=CC1 34a_100000688395_200000210301 [1,0,0,1,0,0|1,0,1]=4 15490 B8R1.8 COCC1CCCC1 34a_100000742336_200000210301 [1,0,0,1,0,0|1,0,0]=3 15491 B8R1.8 COCC1CCCC1 34a_100138415774_100000740388 [1,0,0,1,0,0|1,0,0]=3 15492 B8R1.8 COCC1CCCC1 7a_100000742336_200000210301 [1,0,0,1,0,0|1,0,0]=3 15493 B8R1.8 COCC1CCCO1 34a_100000210270_200000210301 [1,0,0,1,0,0|2,0,0]=4 15494 B8R1.8 COCC1CCCO1 7a_100000210270_200000210301 [1,0,0,1,0,0|2,0,0]=4 15495 B8R1.8 COCC1CCNC1 34a_100000748654_200000210301 [1,0,0,1,0,0|2,0,0]=4 15496 B8R1.8 COCC1CCOC1 34a_100000740260_200000210301 [1,0,0,1,0,0|2,0,0]=4 15497 B8R1.8 COCC1CCOC1 34a_100138415774_100011261433 [1,0,0,1,0,0|2,0,0]=4 15498 B8R1.8 COCN1CCCC1 2230a_100000188435_100000766300 [1,0,0,1,0,0|2,0,0]=4 15499 B8R1.8 COCN1CCCC1 269982a_100000188435_100000766300 [1,0,0,1,0,0|2,0,0]=4 15500 B8R1.8 COC[C@H]1CCCN1 34a_100000745186_200000210301 [1,0,0,1,0,0|2,0,0]=4 15501 B8R1.8 CSCC1CCCC1 62a_100000740388_200000210301 [1,0,0,1,0,0|1,0,0]=3 15502 B8R1.8 CSCC1CCCC1 62a_200000210301_100000740388 [1,0,0,1,0,0|1,0,0]=3 15503 B8R1.8 CSCC1CCCO1 62a_100000203698_200000210301 [1,0,0,1,0,0|2,0,0]=4 15504 B8R1.8 CSCC1CCCO1 62a_200000210301_100000203698 [1,0,0,1,0,0|2,0,0]=4 15505 B8R1.8 CSCC1CCOC1 62a_100000702531_200000210301 [1,0,0,1,0,0|2,0,0]=4 15506 B8R1.8 CSCC1CCOC1 62a_200000210301_100000702531 [1,0,0,1,0,0|2,0,0]=4 15507 B8R1.8 CSCN1CCCC1 2230a_100000188435_100011218213 [1,0,0,1,0,0|2,0,0]=4 15508 B8R1.8 CSCN1CCCC1 269982a_100000188435_100011218213 [1,0,0,1,0,0|2,0,0]=4 15509 B8R1.8 O=CCN1CCCC1 2230a_100000188435_200015260668 [1,0,0,1,0,0|1,0,0]=3 15510 B8R1.8 O=CCN1CCCC1 269982a_100000188435_200015260668 [1,0,0,1,0,0|1,0,0]=3 15511 B8R1.8 O=CCN1CCSC1 2230a_100011215254_200015260668 [1,0,0,1,0,0|2,0,0]=4 15512 B8R1.8 O=CCN1CCSC1 269982a_100011215254_200015260668 [1,0,0,1,0,0|2,0,0]=4 15513 B8R1.8 [13CH3]NCC1CCCC1 2230a_100000737975_200025704644 [1,0,0,1,0,0|1,0,0]=3 15514 B8R1.8 [13CH3]NCC1CCCC1 34a_100000737975_200025704644 [1,0,0,1,0,0|1,0,0]=3 15515 B8R1.8 [13CH3]NCC1CCOC1 2230a_100000737293_200025704644 [1,0,0,1,0,0|2,0,0]=4 15516 B8R1.8 [13CH3]NCC1CCOC1 34a_100000737293_200025704644 [1,0,0,1,0,0|2,0,0]=4 15517 B8R1.8 [13CH3]NC[C@@H]1CCCO1 2230a_100020590478_200025704644 [1,0,0,1,0,0|2,0,0]=4 15518 B8R1.8 [13CH3]NC[C@@H]1CCCO1 34a_100020590478_200025704644 [1,0,0,1,0,0|2,0,0]=4 15519 B8R1.8 [13CH3]OCC1CC=CC1 34a_100000688395_200025704644 [1,0,0,1,0,0|1,0,1]=4 15520 B8R1.8 [13CH3]OCC1CCCC1 34a_100000742336_200025704644 [1,0,0,1,0,0|1,0,0]=3 15521 B8R1.8 [13CH3]OCC1CCCC1 7a_100000742336_200025704644 [1,0,0,1,0,0|1,0,0]=3 15522 B8R1.8 [13CH3]OCC1CCCO1 34a_100000210270_200025704644 [1,0,0,1,0,0|2,0,0]=4 15523 B8R1.8 [13CH3]OCC1CCCO1 7a_100000210270_200025704644 [1,0,0,1,0,0|2,0,0]=4 15524 B8R1.8 [13CH3]OCC1CCNC1 34a_100000748654_200025704644 [1,0,0,1,0,0|2,0,0]=4 15525 B8R1.8 [13CH3]OCC1CCOC1 34a_100000740260_200025704644 [1,0,0,1,0,0|2,0,0]=4 15526 B8R1.8 [13CH3]OC[C@H]1CCCN1 34a_100000745186_200025704644 [1,0,0,1,0,0|2,0,0]=4 15527 B8R1.8 [13CH3]SCC1CCCC1 62a_100000740388_200025704644 [1,0,0,1,0,0|1,0,0]=3 15528 B8R1.8 [13CH3]SCC1CCCC1 62a_200025704644_100000740388 [1,0,0,1,0,0|1,0,0]=3 15529 B8R1.8 [13CH3]SCC1CCCO1 62a_100000203698_200025704644 [1,0,0,1,0,0|2,0,0]=4 15530 B8R1.8 [13CH3]SCC1CCCO1 62a_200025704644_100000203698 [1,0,0,1,0,0|2,0,0]=4 15531 B8R1.8 [13CH3]SCC1CCOC1 62a_100000702531_200025704644 [1,0,0,1,0,0|2,0,0]=4 15532 B8R1.8 [13CH3]SCC1CCOC1 62a_200025704644_100000702531 [1,0,0,1,0,0|2,0,0]=4 15533 B8R1.9 CCOCC1CC1C 34a_100000744939_100000210202 [1,0,0,1,0,0|1,0,1]=4 15534 B8R1.9 CCOCC1CC1C 7a_100000744939_100000210202 [1,0,0,1,0,0|1,0,1]=4 15535 B8R1.9 O=CCN[C@@H]1C[C@@H]1F 2230a_100015190264_200015260668 [1,0,0,1,0,0|2,0,0]=4 15536 B8R1.9 O=CCN[C@@H]1C[C@H]1F 2230a_100025746932_200015260668 [1,0,0,1,0,0|2,0,0]=4 15537 B8R1.9 O=CCN[C@@H]1C[C@H]1F 34a_100025746932_200009817547 [1,0,0,1,0,0|2,0,0]=4 15538 B8R1.10 C/C=C/CN1CCC1 269982a_100000754969_100102629194 [1,0,0,1,0,0|1,0,1]=4 15539 B8R1.10 C=CCCN1CCC1 269982a_100000754969_100000754431 [1,0,0,1,0,0|1,0,1]=4 15540 B8R1.10 C=CCNC1CCC1 2230a_100000749019_100000210623 [1,0,0,1,0,0|1,0,1]=4 15541 B8R1.10 C=CCNC1CCC1 270004a_100020586998_100000241760 [1,0,0,1,0,0|1,0,1]=4 15542 B8R1.10 C=CCNC1CCC1 34a_100000749019_100015514636 [1,0,0,1,0,0|1,0,1]=4 15543 B8R1.10 C=CCOC1CCC1 34a_100000748187_100015514636 [1,0,0,1,0,0|1,0,1]=4 15544 B8R1.10 C=CCOC1CCC1 34a_200000210373_100000749161 [1,0,0,1,0,0|1,0,1]=4 15545 B8R1.10 C=CCSC1CCC1 62a_100000210623_100000749161 [1,0,0,1,0,0|1,0,1]=4 15546 B8R1.10 CC=NNC1CCC1 4a_100000736358_200000210099 [1,0,0,1,0,0|2,0,0]=4 15547 B8R1.10 CCCCN1CCC1 269982a_100000754969_100000210211 [1,0,0,1,0,0|1,0,1]=4 15548 B8R1.10 CCCNC1CCC1 2230a_100000749019_100000210303 [1,0,0,1,0,0|1,0,1]=4 15549 B8R1.10 CCCNC1CCC1 270004a_100020643023_100000241760 [1,0,0,1,0,0|1,0,1]=4 15550 B8R1.10 CCCNC1CCC1 34a_100000749019_100000210303 [1,0,0,1,0,0|1,0,1]=4 15551 B8R1.10 CCCNC1COC1 2230a_100016991112_100000210303 [1,0,0,1,0,0|2,0,0]=4 15552 B8R1.10 CCCOC1CCC1 34a_100000210258_100000749161 [1,0,0,1,0,0|1,0,1]=4 15553 B8R1.10 CCCOC1CCC1 34a_100000748187_100000210303 [1,0,0,1,0,0|1,0,1]=4 15554 B8R1.10 CCCOC1COC1 34a_100000210258_100009818527 [1,0,0,1,0,0|2,0,0]=4 15555 B8R1.10 CCCOC1CSC1 7a_100000072292_100000210303 [1,0,0,1,0,0|2,0,0]=4 15556 B8R1.10 CCCSC1CCC1 62a_100000210303_100000749161 [1,0,0,1,0,0|1,0,1]=4 15557 B8R1.10 CCCSC1COC1 62a_100000210303_100009818527 [1,0,0,1,0,0|2,0,0]=4 15558 B8R1.10 CCNCC1CCC1 2230a_100000738700_100000210202 [1,0,0,1,0,0|1,0,1]=4 15559 B8R1.10 CCNCC1CCC1 2230a_100015525214_100000763275 [1,0,0,1,0,0|1,0,1]=4 15560 B8R1.10 CCNCC1CCC1 269862a_100015525214_100000753134 [1,0,0,1,0,0|1,0,1]=4 15561 B8R1.10 CCNCC1CCC1 34a_100000738700_100000210202 [1,0,0,1,0,0|1,0,1]=4 15562 B8R1.10 CCNCC1COC1 2230a_100015281925_100000210202 [1,0,0,1,0,0|2,0,0]=4 15563 B8R1.10 CCNCC1COC1 2230a_100015525214_100010264016 [1,0,0,1,0,0|2,0,0]=4 15564 B8R1.10 CCNCC1COC1 34a_100015281925_100000210202 [1,0,0,1,0,0|2,0,0]=4 15565 B8R1.10 CCOCC1CCC1 34a_100000760304_100000210202 [1,0,0,1,0,0|1,0,1]=4 15566 B8R1.10 CCOCC1CCC1 34a_100121572206_100000763275 [1,0,0,1,0,0|1,0,1]=4 15567 B8R1.10 CCOCC1CNC1 34a_100016987283_100000210202 [1,0,0,1,0,0|2,0,0]=4 15568 B8R1.10 CCOCC1COC1 34a_100000060846_100000210202 [1,0,0,1,0,0|2,0,0]=4 15569 B8R1.10 CCOCC1COC1 34a_100121572206_100010264016 [1,0,0,1,0,0|2,0,0]=4 15570 B8R1.10 CCSCC1CCC1 62a_100000210202_100000763275 [1,0,0,1,0,0|1,0,1]=4 15571 B8R1.10 CCSCC1CCC1 62a_100000763275_100000210202 [1,0,0,1,0,0|1,0,1]=4 15572 B8R1.10 CCSCC1COC1 62a_100000210202_100010264016 [1,0,0,1,0,0|2,0,0]=4 15573 B8R1.10 CCSCC1COC1 62a_100010264016_100000210202 [1,0,0,1,0,0|2,0,0]=4 15574 B8R1.10 COCCC1COC1 34a_100009855314_200000210301 [1,0,0,1,0,0|2,0,0]=4 15575 B8R1.10 COCCN1CCC1 269982a_100000754969_100000233755 [1,0,0,1,0,0|2,0,0]=4 15576 B8R1.10 COCNC1CCC1 2230a_100000749019_100000766300 [1,0,0,1,0,0|2,0,0]=4 15577 B8R1.10 COCSC1CCC1 62a_100000766300_100000749161 [1,0,0,1,0,0|2,0,0]=4 15578 B8R1.10 CSCCN1CCC1 269982a_100000754969_100000212216 [1,0,0,1,0,0|2,0,0]=4 15579 B8R1.10 CSCNC1CCC1 2230a_100000749019_100011218213 [1,0,0,1,0,0|2,0,0]=4 15580 B8R1.10 CSCNC1CCC1 34a_100000749019_100011218213 [1,0,0,1,0,0|2,0,0]=4 15581 B8R1.10 CSCOC1CCC1 34a_100000748187_100011218213 [1,0,0,1,0,0|2,0,0]=4 15582 B8R1.10 CSCSC1CCC1 62a_100011218213_100000749161 [1,0,0,1,0,0|2,0,0]=4 15583 B8R1.10 O=CCNC1CCC1 2230a_100000749019_200015260668 [1,0,0,1,0,0|1,0,0]=3 15584 B8R1.10 O=CCNC1CCC1 34a_100000749019_200009817547 [1,0,0,1,0,0|1,0,0]=3 15585 B8R1.10 O=CCNC1COC1 2230a_100016991112_200015260668 [1,0,0,1,0,0|2,0,0]=4 15586 B8R1.10 O=CCOC1CCC1 34a_100000748187_200009817547 [1,0,0,1,0,0|1,0,0]=3 15587 B8R1.10 O=CCOC1CSC1 7a_100000072292_200015260668 [1,0,0,1,0,0|2,0,0]=4 15588 B8R1.10 O=CCSC1CCC1 62a_200015260668_100000749161 [1,0,0,1,0,0|1,0,0]=3 15589 B8R1.10 O=CCSC1COC1 62a_200015260668_100009818527 [1,0,0,1,0,0|2,0,0]=4 15590 B8R1.10 [13CH3]OCCC1COC1 34a_100009855314_200025704644 [1,0,0,1,0,0|2,0,0]=4 15591 B8R1.11 CC1CCCC1O[13CH3] 34a_100011216460_200025704644 [1,0,0,1,0,0|1,0,0]=3 15592 B8R1.11 CC1CCCC1O[13CH3] 7a_100011216460_200025704644 [1,0,0,1,0,0|1,0,0]=3 15593 B8R1.11 CCC1CCCN1C 2230a_100000754278_200000210301 [1,0,0,1,0,0|1,0,0]=3 15594 B8R1.11 CCC1CCCN1C 269982a_100000754278_200000210301 [1,0,0,1,0,0|1,0,0]=3 15595 B8R1.11 CCC1CCCN1C 34a_100000754278_200000210301 [1,0,0,1,0,0|1,0,0]=3 15596 B8R1.11 CCC1CCCN1[13CH3] 2230a_100000754278_200025704644 [1,0,0,1,0,0|1,0,0]=3 15597 B8R1.11 CCC1CCCN1[13CH3] 269982a_100000754278_200025704644 [1,0,0,1,0,0|1,0,0]=3 15598 B8R1.11 CCC1CCCN1[13CH3] 34a_100000754278_200025704644 [1,0,0,1,0,0|1,0,0]=3 15599 B8R1.11 CCN1CCC[C@@H]1C 2230a_100020605311_100000210202 [1,0,0,1,0,0|1,0,1]=4 15600 B8R1.11 CCN1CCC[C@@H]1C 269982a_100020605311_100000204670 [1,0,0,1,0,0|1,0,1]=4 15601 B8R1.11 CCN1CCC[C@H]1C 2230a_100015189458_100000210202 [1,0,0,1,0,0|1,0,1]=4 15602 B8R1.11 CCN1CCC[C@H]1C 269982a_100015189458_100000204670 [1,0,0,1,0,0|1,0,1]=4 15603 B8R1.11 CCN1CCC[C@H]1C 34a_100015189458_100000210202 [1,0,0,1,0,0|1,0,1]=4 15604 B8R1.11 CN1CCC[C@@H]1CO 2230a_100000745186_200000210301 [1,0,0,1,0,0|2,0,0]=4 15605 B8R1.11 CN1CCC[C@@H]1CO 269982a_100000745186_200000210301 [1,0,0,1,0,0|2,0,0]=4 15606 B8R1.11 CN1CCC[C@@H]1CO 34a_100000745186_200000210301 [1,0,0,1,0,0|2,0,0]=4 15607 B8R1.11 CNC1CCCC1=O 2230a_106832991635_100000211823 [1,0,0,1,0,0|1,0,0]=3 15608 B8R1.11 CNC1CCCC1=O 34a_100102657272_100000709159 [1,0,0,1,0,0|1,0,0]=3 15609 B8R1.11 CNC1CCCC1=O 7a_106832991635_100000211823 [1,0,0,1,0,0|1,0,0]=3 15610 B8R1.11 CNC1CCCC1C 269862a_106832991636_100000752053 [1,0,0,1,0,0|1,0,0]=3 15611 B8R1.11 CNC1CCNC1=O 2230a_100016995588_200000210301 [1,0,0,1,0,0|2,0,0]=4 15612 B8R1.11 CNC1CCNC1=O 34a_100016995588_200000210301 [1,0,0,1,0,0|2,0,0]=4 15613 B8R1.11 CNC1CCOC1=O 2230a_106832991635_100000211211 [1,0,0,1,0,0|2,0,0]=4 15614 B8R1.11 CNC1CCOC1=O 34a_100102657272_100000211211 [1,0,0,1,0,0|2,0,0]=4 15615 B8R1.11 CNC1CCOC1=O 7a_106832991635_100000211211 [1,0,0,1,0,0|2,0,0]=4 15616 B8R1.11 CNC1CCOC1C 270004a_106832991635_100000691750 [1,0,0,1,0,0|2,0,0]=4 15617 B8R1.11 COC1CCCC1=O 34a_100138415774_100000709159 [1,0,0,1,0,0|1,0,0]=3 15618 B8R1.11 COC1CCCC1=O 34a_200000719330_200000210301 [1,0,0,1,0,0|1,0,0]=3 15619 B8R1.11 COC1CCCC1C 34a_100011216460_200000210301 [1,0,0,1,0,0|1,0,0]=3 15620 B8R1.11 COC1CCCC1C 7a_100011216460_200000210301 [1,0,0,1,0,0|1,0,0]=3 15621 B8R1.11 COC1CCOC1=O 34a_100138415774_100000211211 [1,0,0,1,0,0|2,0,0]=4 15622 B8R1.11 CO[C@@H]1CCC[C@H]1Cl 34a_200016002552_200000210301 [1,0,0,1,0,0|2,0,0]=4 15623 B8R1.11 CO[C@H]1CCC[C@@H]1N 34a_100000748460_200000210301 [1,0,0,1,0,0|2,0,0]=4 15624 B8R1.11 CO[C@H]1CCNC1=O 34a_100000688343_200000210301 [1,0,0,1,0,0|2,0,0]=4 15625 B8R1.11 CO[C@H]1CNC[C@H]1C 34a_200015306588_200000210301 [1,0,0,1,0,0|2,0,0]=4 15626 B8R1.11 CSC1CCCC1=O 62a_100000211823_200000210301 [1,0,0,1,0,0|1,0,0]=3 15627 B8R1.11 CSC1CCCC1=O 62a_200000210301_100000211823 [1,0,0,1,0,0|1,0,0]=3 15628 B8R1.11 CSC1CCOC1=O 62a_100000211211_200000210301 [1,0,0,1,0,0|2,0,0]=4 15629 B8R1.11 CSC1CCOC1=O 62a_200000210301_100000211211 [1,0,0,1,0,0|2,0,0]=4 15630 B8R1.11 CS[C@@H]1CCC[C@H]1O 62a_200000210301_200016002552 [1,0,0,1,0,0|2,0,0]=4 15631 B8R1.11 CS[C@@H]1CCC[C@H]1O 62a_200016002552_200000210301 [1,0,0,1,0,0|2,0,0]=4 15632 B8R1.11 C[C@@H]1CNC[C@@H]1O[13CH3] 34a_200015306588_200025704644 [1,0,0,1,0,0|2,0,0]=4 15633 B8R1.11 [13CH3]N1CCC[C@@H]1CO 2230a_100000745186_200025704644 [1,0,0,1,0,0|2,0,0]=4 15634 B8R1.11 [13CH3]N1CCC[C@@H]1CO 269982a_100000745186_200025704644 [1,0,0,1,0,0|2,0,0]=4 15635 B8R1.11 [13CH3]N1CCC[C@@H]1CO 34a_100000745186_200025704644 [1,0,0,1,0,0|2,0,0]=4 15636 B8R1.11 [13CH3]NC1CCNC1=O 2230a_100016995588_200025704644 [1,0,0,1,0,0|2,0,0]=4 15637 B8R1.11 [13CH3]NC1CCNC1=O 34a_100016995588_200025704644 [1,0,0,1,0,0|2,0,0]=4 15638 B8R1.11 [13CH3]OC1CCCC1=O 34a_200000719330_200025704644 [1,0,0,1,0,0|1,0,0]=3 15639 B8R1.11 [13CH3]O[C@@H]1CCC[C@H]1Cl 34a_200016002552_200025704644 [1,0,0,1,0,0|2,0,0]=4 15640 B8R1.11 [13CH3]O[C@H]1CCC[C@@H]1N 34a_100000748460_200025704644 [1,0,0,1,0,0|2,0,0]=4 15641 B8R1.11 [13CH3]O[C@H]1CCNC1=O 34a_100000688343_200025704644 [1,0,0,1,0,0|2,0,0]=4 15642 B8R1.11 [13CH3]SC1CCCC1=O 62a_100000211823_200025704644 [1,0,0,1,0,0|1,0,0]=3 15643 B8R1.11 [13CH3]SC1CCCC1=O 62a_200025704644_100000211823 [1,0,0,1,0,0|1,0,0]=3 15644 B8R1.11 [13CH3]SC1CCOC1=O 62a_100000211211_200025704644 [1,0,0,1,0,0|2,0,0]=4 15645 B8R1.11 [13CH3]SC1CCOC1=O 62a_200025704644_100000211211 [1,0,0,1,0,0|2,0,0]=4 15646 B8R1.11 [13CH3]S[C@@H]1CCC[C@H]1O 62a_200016002552_200025704644 [1,0,0,1,0,0|2,0,0]=4 15647 B8R1.11 [13CH3]S[C@@H]1CCC[C@H]1O 62a_200025704644_200016002552 [1,0,0,1,0,0|2,0,0]=4 15648 B8R1.13 C=CCN1CCC1C 269982a_100000755817_100000210623 [1,0,0,1,0,0|1,0,1]=4 15649 B8R1.13 C=CCN1CCC1C 34a_100000755817_100015514636 [1,0,0,1,0,0|1,0,1]=4 15650 B8R1.13 CC1CCN1CC=O 269982a_100000755817_200015260668 [1,0,0,1,0,0|1,0,0]=3 15651 B8R1.13 CC1CCN1CC=O 34a_100000755817_200009817547 [1,0,0,1,0,0|1,0,0]=3 15652 B8R1.13 CCCN1CCC1C 269982a_100000755817_100000210303 [1,0,0,1,0,0|1,0,1]=4 15653 B8R1.13 CCCN1CCC1C 34a_100000755817_100000210303 [1,0,0,1,0,0|1,0,1]=4 15654 B8R1.13 CCOC1CCC1=O 34a_100121572206_100009892977 [1,0,0,1,0,0|1,0,0]=3 15655 B8R1.13 CCSC1CCC1=O 62a_100000210202_100009892977 [1,0,0,1,0,0|1,0,0]=3 15656 B8R1.13 CCSC1CCC1=O 62a_100009892977_100000210202 [1,0,0,1,0,0|1,0,0]=3 15657 B8R1.13 COCC1CCN1C 2230a_100015195929_200000210301 [1,0,0,1,0,0|2,0,0]=4 15658 B8R1.13 COCC1CCN1C 269982a_100015195929_200000210301 [1,0,0,1,0,0|2,0,0]=4 15659 B8R1.13 COCC1CCN1C 34a_100015195929_200000210301 [1,0,0,1,0,0|2,0,0]=4 15660 B8R1.13 COCC1CCN1[13CH3] 2230a_100015195929_200025704644 [1,0,0,1,0,0|2,0,0]=4 15661 B8R1.13 COCC1CCN1[13CH3] 269982a_100015195929_200025704644 [1,0,0,1,0,0|2,0,0]=4 15662 B8R1.13 COCC1CCN1[13CH3] 34a_100015195929_200025704644 [1,0,0,1,0,0|2,0,0]=4 15663 B8R1.13 COCN1CCC1C 269982a_100000755817_100000766300 [1,0,0,1,0,0|2,0,0]=4 15664 B8R1.13 CSCN1CCC1C 269982a_100000755817_100011218213 [1,0,0,1,0,0|2,0,0]=4 15665 B8R1.13 CSCN1CCC1C 34a_100000755817_100011218213 [1,0,0,1,0,0|2,0,0]=4 15666 B8R1.13 O=C1CCC1SCF 62a_100009892977_100015361967 [1,0,0,1,0,0|2,0,0]=4 15667 B8R1.13 O=C1CCC1SCF 62a_100015361967_100009892977 [1,0,0,1,0,0|2,0,0]=4 15668 B8R1.22 CN1CCCCCC1 2230a_100000185865_200000210301 [1,0,0,1,0,0|1,0,0]=3 15669 B8R1.22 CN1CCCCCC1 269982a_100000185865_200000210301 [1,0,0,1,0,0|1,0,0]=3 15670 B8R1.22 CN1CCCCCC1 34a_100000185865_200000210301 [1,0,0,1,0,0|1,0,0]=3 15671 B8R1.22 CN1CCCOCC1 2230a_100000685342_200000210301 [1,0,0,1,0,0|2,0,0]=4 15672 B8R1.22 CN1CCCOCC1 269982a_100000685342_200000210301 [1,0,0,1,0,0|2,0,0]=4 15673 B8R1.22 CN1CCCOCC1 34a_100000685342_200000210301 [1,0,0,1,0,0|2,0,0]=4 15674 B8R1.22 [13CH3]N1CCCCCC1 2230a_100000185865_200025704644 [1,0,0,1,0,0|1,0,0]=3 15675 B8R1.22 [13CH3]N1CCCCCC1 269982a_100000185865_200025704644 [1,0,0,1,0,0|1,0,0]=3 15676 B8R1.22 [13CH3]N1CCCCCC1 34a_100000185865_200025704644 [1,0,0,1,0,0|1,0,0]=3 15677 B8R1.22 [13CH3]N1CCCOCC1 2230a_100000685342_200025704644 [1,0,0,1,0,0|2,0,0]=4 15678 B8R1.22 [13CH3]N1CCCOCC1 269982a_100000685342_200025704644 [1,0,0,1,0,0|2,0,0]=4 15679 B8R1.22 [13CH3]N1CCCOCC1 34a_100000685342_200025704644 [1,0,0,1,0,0|2,0,0]=4 15680 B8R1.36 C/C=C/CNC1CC1 34a_100000212008_100102629194 [1,0,0,1,0,0|1,0,1]=4 15681 B8R1.36 C/C=C/COC1CC1 34a_100016270725_100000211595 [1,0,0,1,0,0|1,0,1]=4 15682 B8R1.36 C/C=C/CSC1CC1 62a_100102629194_100000211595 [1,0,0,1,0,0|1,0,1]=4 15683 B8R1.36 C=CCCNC1CC1 34a_100000212008_100000754431 [1,0,0,1,0,0|1,0,1]=4 15684 B8R1.36 C=CCCOC1CC1 34a_100011205117_100000211595 [1,0,0,1,0,0|1,0,1]=4 15685 B8R1.36 C=CCCSC1CC1 62a_100000754431_100000211595 [1,0,0,1,0,0|1,0,1]=4 15686 B8R1.36 C=CCNCC1CC1 2230a_100000735609_100000210623 [1,0,0,1,0,0|1,0,1]=4 15687 B8R1.36 C=CCNCC1CC1 2230a_100020586998_100000742324 [1,0,0,1,0,0|1,0,1]=4 15688 B8R1.36 C=CCNCC1CC1 34a_100000735609_100015514636 [1,0,0,1,0,0|1,0,1]=4 15689 B8R1.36 C=CCOCC1CC1 34a_100000211283_100015514636 [1,0,0,1,0,0|1,0,1]=4 15690 B8R1.36 C=CCOCC1CC1 34a_200000210373_100000742324 [1,0,0,1,0,0|1,0,1]=4 15691 B8R1.36 C=CCSCC1CC1 62a_100000210623_100000742324 [1,0,0,1,0,0|1,0,1]=4 15692 B8R1.36 C=CCSCC1CC1 62a_100000756562_100000210623 [1,0,0,1,0,0|1,0,1]=4 15693 B8R1.36 CC=CCNC1CC1 34a_100000212008_100000070051 [1,0,0,1,0,0|1,0,1]=4 15694 B8R1.36 CC=CCSC1CC1 62a_100000070051_100000211595 [1,0,0,1,0,0|1,0,1]=4 15695 B8R1.36 CC=NNCC1CC1 4a_100000736359_200000210099 [1,0,0,1,0,0|2,0,0]=4 15696 B8R1.36 CCCCNC1CC1 34a_100000212008_100000210210 [1,0,0,1,0,0|1,0,1]=4 15697 B8R1.36 CCCCOC1CC1 34a_100000210227_100000211595 [1,0,0,1,0,0|1,0,1]=4 15698 B8R1.36 CCCCSC1CC1 62a_100000210211_100000211595 [1,0,0,1,0,0|1,0,1]=4 15699 B8R1.36 CCCNCC1CC1 2230a_100000735609_100000210303 [1,0,0,1,0,0|1,0,1]=4 15700 B8R1.36 CCCNCC1CC1 269862a_100020643023_100000741477 [1,0,0,1,0,0|1,0,1]=4 15701 B8R1.36 CCCNCC1CC1 34a_100000735609_100000210303 [1,0,0,1,0,0|1,0,1]=4 15702 B8R1.36 CCCOCC1CC1 34a_100000210258_100000742324 [1,0,0,1,0,0|1,0,1]=4 15703 B8R1.36 CCCOCC1CC1 34a_100000211283_100000210303 [1,0,0,1,0,0|1,0,1]=4 15704 B8R1.36 CCCOCC1CO1 34a_100000210258_102125554688 [1,0,0,1,0,0|2,0,0]=4 15705 B8R1.36 CCCOC[C@@H]1CO1 34a_100000757423_100000210303 [1,0,0,1,0,0|2,0,0]=4 15706 B8R1.36 CCCSCC1CC1 62a_100000210303_100000742324 [1,0,0,1,0,0|1,0,1]=4 15707 B8R1.36 CCCSCC1CC1 62a_100000756562_100000210303 [1,0,0,1,0,0|1,0,1]=4 15708 B8R1.36 CCCSCC1CO1 62a_100000210303_102125554688 [1,0,0,1,0,0|2,0,0]=4 15709 B8R1.36 CCCSCC1CO1 62a_102125554688_100000210303 [1,0,0,1,0,0|2,0,0]=4 15710 B8R1.36 CCCSCC1CS1 62a_100000031435_100000210303 [1,0,0,1,0,0|2,0,0]=4 15711 B8R1.36 CCCSCC1CS1 62a_100000210303_100000031435 [1,0,0,1,0,0|2,0,0]=4 15712 B8R1.36 CCCSC[C@@H]1CO1 62a_100000210303_100000745022 [1,0,0,1,0,0|2,0,0]=4 15713 B8R1.36 CCCSC[C@@H]1CO1 62a_100000745022_100000210303 [1,0,0,1,0,0|2,0,0]=4 15714 B8R1.36 CCNCCC1CC1 2230a_100015525214_100000694398 [1,0,0,1,0,0|1,0,1]=4 15715 B8R1.36 CCNCCC1CC1 34a_100000764129_100000210202 [1,0,0,1,0,0|1,0,1]=4 15716 B8R1.36 CCNCCC1CO1 2230a_100015525214_100000732470 [1,0,0,1,0,0|2,0,0]=4 15717 B8R1.36 CCOCCC1CC1 34a_100000754188_100000210202 [1,0,0,1,0,0|1,0,1]=4 15718 B8R1.36 CCOCCC1CC1 34a_100121572206_100000694398 [1,0,0,1,0,0|1,0,1]=4 15719 B8R1.36 CCOCCC1CC1 7a_100000754188_100000210202 [1,0,0,1,0,0|1,0,1]=4 15720 B8R1.36 CCOCCC1CO1 34a_100121572206_100000732470 [1,0,0,1,0,0|2,0,0]=4 15721 B8R1.36 CCOCC[C@@H]1CO1 34a_100009820653_100000210202 [1,0,0,1,0,0|2,0,0]=4 15722 B8R1.36 CCSCCC1CC1 62a_100000210202_100000764125 [1,0,0,1,0,0|1,0,1]=4 15723 B8R1.36 CCSCCC1CC1 62a_100000764125_100000210202 [1,0,0,1,0,0|1,0,1]=4 15724 B8R1.36 CCSCCC1CO1 62a_100000210202_100000732470 [1,0,0,1,0,0|2,0,0]=4 15725 B8R1.36 CCSCCC1CO1 62a_100000732470_100000210202 [1,0,0,1,0,0|2,0,0]=4 15726 B8R1.36 CNCCCC1CO1 2230a_106832991635_100000733510 [1,0,0,1,0,0|2,0,0]=4 15727 B8R1.36 CNCCCC1CO1 34a_100102657272_100000733510 [1,0,0,1,0,0|2,0,0]=4 15728 B8R1.36 CNCCCC1CO1 7a_106832991635_100000733510 [1,0,0,1,0,0|2,0,0]=4 15729 B8R1.36 COCCCC1CO1 34a_100138415774_100000733510 [1,0,0,1,0,0|2,0,0]=4 15730 B8R1.36 COCCNC1CC1 34a_100000212008_100011201679 [1,0,0,1,0,0|2,0,0]=4 15731 B8R1.36 COCCNC1CC1 34a_100000738766_200000210301 [1,0,0,1,0,0|2,0,0]=4 15732 B8R1.36 COCCOC1CC1 34a_100000210237_100000211595 [1,0,0,1,0,0|2,0,0]=4 15733 B8R1.36 COCCSC1CC1 62a_100000233755_100000211595 [1,0,0,1,0,0|2,0,0]=4 15734 B8R1.36 COCNCC1CC1 2230a_100000735609_100000766300 [1,0,0,1,0,0|2,0,0]=4 15735 B8R1.36 COCSCC1CC1 62a_100000756562_100000766300 [1,0,0,1,0,0|2,0,0]=4 15736 B8R1.36 COCSCC1CC1 62a_100000766300_100000742324 [1,0,0,1,0,0|2,0,0]=4 15737 B8R1.36 CSCCCC1CO1 62a_100000733510_200000210301 [1,0,0,1,0,0|2,0,0]=4 15738 B8R1.36 CSCCCC1CO1 62a_200000210301_100000733510 [1,0,0,1,0,0|2,0,0]=4 15739 B8R1.36 CSCCNC1CC1 34a_100000212008_100000212216 [1,0,0,1,0,0|2,0,0]=4 15740 B8R1.36 CSCCOC1CC1 34a_100000230434_100000211595 [1,0,0,1,0,0|2,0,0]=4 15741 B8R1.36 CSCCSC1CC1 62a_100000212216_100000211595 [1,0,0,1,0,0|2,0,0]=4 15742 B8R1.36 CSCNCC1CC1 2230a_100000735609_100011218213 [1,0,0,1,0,0|2,0,0]=4 15743 B8R1.36 CSCNCC1CC1 34a_100000735609_100011218213 [1,0,0,1,0,0|2,0,0]=4 15744 B8R1.36 CSCOCC1CC1 34a_100000211283_100011218213 [1,0,0,1,0,0|2,0,0]=4 15745 B8R1.36 CSCSCC1CC1 62a_100000756562_100011218213 [1,0,0,1,0,0|2,0,0]=4 15746 B8R1.36 CSCSCC1CC1 62a_100011218213_100000742324 [1,0,0,1,0,0|2,0,0]=4 15747 B8R1.36 O=CCNCC1CC1 2230a_100000735609_200015260668 [1,0,0,1,0,0|1,0,0]=3 15748 B8R1.36 O=CCNCC1CC1 34a_100000735609_200009817547 [1,0,0,1,0,0|1,0,0]=3 15749 B8R1.36 O=CCOCC1CC1 34a_100000211283_200009817547 [1,0,0,1,0,0|1,0,0]=3 15750 B8R1.36 O=CCOC[C@@H]1CO1 34a_100000757423_200009817547 [1,0,0,1,0,0|2,0,0]=4 15751 B8R1.36 O=CCSCC1CC1 62a_100000756562_200015260668 [1,0,0,1,0,0|1,0,0]=3 15752 B8R1.36 O=CCSCC1CC1 62a_200015260668_100000742324 [1,0,0,1,0,0|1,0,0]=3 15753 B8R1.36 O=CCSCC1CO1 62a_102125554688_200015260668 [1,0,0,1,0,0|2,0,0]=4 15754 B8R1.36 O=CCSCC1CO1 62a_200015260668_102125554688 [1,0,0,1,0,0|2,0,0]=4 15755 B8R1.36 O=CCSCC1CS1 62a_100000031435_200015260668 [1,0,0,1,0,0|2,0,0]=4 15756 B8R1.36 O=CCSCC1CS1 62a_200015260668_100000031435 [1,0,0,1,0,0|2,0,0]=4 15757 B8R1.36 O=CCSC[C@@H]1CO1 62a_100000745022_200015260668 [1,0,0,1,0,0|2,0,0]=4 15758 B8R1.36 O=CCSC[C@@H]1CO1 62a_200015260668_100000745022 [1,0,0,1,0,0|2,0,0]=4 15759 B8R1.36 [13CH3]OCCNC1CC1 34a_100000738766_200025704644 [1,0,0,1,0,0|2,0,0]=4 15760 B8R1.36 [13CH3]SCCCC1CO1 62a_100000733510_200025704644 [1,0,0,1,0,0|2,0,0]=4 15761 B8R1.36 [13CH3]SCCCC1CO1 62a_200025704644_100000733510 [1,0,0,1,0,0|2,0,0]=4 15762 B8R1.1 CCN1CNC(=O)C1 2230a_200000708111_100000210202 [1,0,0,1,0,0|2,0,0]=4 15763 B8R1.1 CNC1CNC(=O)C1 2230a_100000697751_200000210301 [1,0,0,1,0,0|2,0,0]=4 15764 B8R1.1 COC1CCC(=O)C1 34a_100012614533_200000210301 [1,0,0,1,0,0|1,0,0]=3 15765 B8R1.1 COC1CNC(=O)C1 34a_100000690082_200000210301 [1,0,0,1,0,0|2,0,0]=4 15766 B8R1.1 [13CH3]NC1CNC(=O)C1 2230a_100000697751_200025704644 [1,0,0,1,0,0|2,0,0]=4 15767 B8R1.1 [13CH3]OC1CCC(=O)C1 34a_100012614533_200025704644 [1,0,0,1,0,0|1,0,0]=3 15768 B8R1.1 [13CH3]OC1CNC(=O)C1 34a_100000690082_200025704644 [1,0,0,1,0,0|2,0,0]=4 15769 B8R1.4 CN1CCNC(=O)C1 2230a_100000184651_200000210301 [1,0,0,1,0,0|2,0,0]=4 15770 B8R1.4 CN1CCOC(=O)C1 2230a_100000131268_200000210301 [1,0,0,1,0,0|2,0,0]=4 15771 B8R1.4 C[C@H]1CCCN(C1)C 2230a_100000717927_200000210301 [1,0,0,1,0,0|2,0,0]=4 15772 B8R1.4 C[C@H]1CCCN(C1)C 269982a_100000717927_200000210301 [1,0,0,1,0,0|2,0,0]=4 15773 B8R1.4 C[C@H]1CCCN(C1)C 34a_100000717927_200000210301 [1,0,0,1,0,0|2,0,0]=4 15774 B8R1.4 C[C@H]1CCCN(C1)[13CH3] 2230a_100000717927_200025704644 [1,0,0,1,0,0|2,0,0]=4 15775 B8R1.4 C[C@H]1CCCN(C1)[13CH3] 269982a_100000717927_200025704644 [1,0,0,1,0,0|2,0,0]=4 15776 B8R1.4 C[C@H]1CCCN(C1)[13CH3] 34a_100000717927_200025704644 [1,0,0,1,0,0|2,0,0]=4 15777 B8R1.4 [13CH3]N1CCNC(=O)C1 2230a_100000184651_200025704644 [1,0,0,1,0,0|2,0,0]=4 15778 B8R1.4 [13CH3]N1CCOC(=O)C1 2230a_100000131268_200025704644 [1,0,0,1,0,0|2,0,0]=4 15779 B8R1.6 C=C1CC(C1)CNC 2230a_100102567296_200000210301 [1,0,0,1,0,0|2,0,0]=4 15780 B8R1.6 C=C1CC(C1)CNC 34a_100102567296_200000210301 [1,0,0,1,0,0|2,0,0]=4 15781 B8R1.6 C=C1CC(C1)CN[13CH3] 2230a_100102567296_200025704644 [1,0,0,1,0,0|2,0,0]=4 15782 B8R1.6 C=C1CC(C1)CN[13CH3] 34a_100102567296_200025704644 [1,0,0,1,0,0|2,0,0]=4 15783 B8R1.6 C=C1CC(C1)COC 34a_100011011225_200000210301 [1,0,0,1,0,0|2,0,0]=4 15784 B8R1.6 C=C1CC(C1)CO[13CH3] 34a_100011011225_200025704644 [1,0,0,1,0,0|2,0,0]=4 15785 B8R1.6 C=C1CC(C1)NCC 2230a_100132301982_100000210202 [1,0,0,1,0,0|2,0,0]=4 15786 B8R1.6 CCSC1CC(=O)C1 62a_100009894365_100000210202 [1,0,0,1,0,0|1,0,0]=3 15787 B8R1.6 CNCC1CC(=O)C1 2230a_106832991635_100009874392 [1,0,0,1,0,0|1,0,0]=3 15788 B8R1.6 CNCC1CC(=O)C1 7a_106832991635_100009874392 [1,0,0,1,0,0|1,0,0]=3 15789 B8R1.6 COCC1CC(=O)C1 34a_100000101936_200000210301 [1,0,0,1,0,0|1,0,0]=3 15790 B8R1.6 CSCC1CC(=O)C1 62a_100009874392_200000210301 [1,0,0,1,0,0|1,0,0]=3 15791 B8R1.6 CSCC1CC(=O)C1 62a_200000210301_100009874392 [1,0,0,1,0,0|1,0,0]=3 15792 B8R1.6 O=C1CC(C1)SCF 62a_100009894365_100015361967 [1,0,0,1,0,0|2,0,0]=4 15793 B8R1.6 [13CH3]OCC1CC(=O)C1 34a_100000101936_200025704644 [1,0,0,1,0,0|1,0,0]=3 15794 B8R1.6 [13CH3]SCC1CC(=O)C1 62a_100009874392_200025704644 [1,0,0,1,0,0|1,0,0]=3 15795 B8R1.6 [13CH3]SCC1CC(=O)C1 62a_200025704644_100009874392 [1,0,0,1,0,0|1,0,0]=3 15796 B8R1.7 CC(=O)C1=CCCC1 1458a_100000038896_200000210301 [1,0,0,1,0,0|0,0,2]=4 15797 B8R1.7 CC(=O)C1CC=CC1 1458a_100000759439_200000210301 [1,0,0,1,0,0|0,0,2]=4 15798 B8R1.7 CC(=O)C1CCCC1 1458a_100000070787_100000179811 [1,0,0,1,0,0|0,0,0]=2 15799 B8R1.7 CC(=O)C1CCCC1 1458a_100000210718_200000210301 [1,0,0,1,0,0|0,0,0]=2 15800 B8R1.7 CC(=O)C1CCCS1 1458a_100012002731_200000210301 [1,0,0,1,0,0|1,0,0]=3 15801 B8R1.7 CC(=O)C1CCOC1 1458a_100000070787_100000690089 [1,0,0,1,0,0|1,0,0]=3 15802 B8R1.7 CC(=O)C1CCOC1 1458a_100011219752_200000210301 [1,0,0,1,0,0|1,0,0]=3 15803 B8R1.7 CC(=O)N1CCCC1 240690a_100000188435_100015343762 [1,0,0,1,0,0|1,0,0]=3 15804 B8R1.7 CC(=O)N1CCCC1 527a_100000188435_100103153847 [1,0,0,1,0,0|1,0,0]=3 15805 B8R1.7 CC(=O)N1CCSC1 11a_100011215254_100015343762 [1,0,0,1,0,0|2,0,0]=4 15806 B8R1.7 CC(=O)N1CCSC1 240690a_100011215254_100015343762 [1,0,0,1,0,0|2,0,0]=4 15807 B8R1.7 CC(=O)N1CCSC1 527a_100011215254_100103153847 [1,0,0,1,0,0|2,0,0]=4 15808 B8R1.7 CC(=O)[C@@H]1CCCO1 1458a_100000686382_200000210301 [1,0,0,1,0,0|1,0,0]=3 15809 B8R1.7 CN(C)C1CCCC1 2230a_100000207505_200000210301 [1,0,0,1,0,0|2,0,0]=4 15810 B8R1.7 CN(C)C1CCCC1 2230a_100102631434_100000179811 [1,0,0,1,0,0|2,0,0]=4 15811 B8R1.7 CN(C)C1CCCC1 269982a_100000207505_200000210301 [1,0,0,1,0,0|2,0,0]=4 15812 B8R1.7 CN(C)C1CCCC1 269982a_100102631434_100000179811 [1,0,0,1,0,0|2,0,0]=4 15813 B8R1.7 CN(C)C1CCCC1 270004a_100102631434_100000210133 [1,0,0,1,0,0|2,0,0]=4 15814 B8R1.7 CN(C)C1CCCC1 34a_100000207505_200000210301 [1,0,0,1,0,0|2,0,0]=4 15815 B8R1.7 CN([13CH3])C1CCCC1 2230a_100000207505_200025704644 [1,0,0,1,0,0|2,0,0]=4 15816 B8R1.7 CN([13CH3])C1CCCC1 269982a_100000207505_200025704644 [1,0,0,1,0,0|2,0,0]=4 15817 B8R1.7 CN([13CH3])C1CCCC1 34a_100000207505_200025704644 [1,0,0,1,0,0|2,0,0]=4 15818 B8R1.7 [13CH3]C(=O)C1=CCCC1 1458a_100000038896_200025704644 [1,0,0,1,0,0|0,0,2]=4 15819 B8R1.7 [13CH3]C(=O)C1CC=CC1 1458a_100000759439_200025704644 [1,0,0,1,0,0|0,0,2]=4 15820 B8R1.7 [13CH3]C(=O)C1CCCC1 1458a_100000210718_200025704644 [1,0,0,1,0,0|0,0,0]=2 15821 B8R1.7 [13CH3]C(=O)C1CCCS1 1458a_100012002731_200025704644 [1,0,0,1,0,0|1,0,0]=3 15822 B8R1.7 [13CH3]C(=O)C1CCOC1 1458a_100011219752_200025704644 [1,0,0,1,0,0|1,0,0]=3 15823 B8R1.7 [13CH3]C(=O)[C@@H]1CCCO1 1458a_100000686382_200025704644 [1,0,0,1,0,0|1,0,0]=3 15824 B8R1.20 CC(=O)N[C@@H]1C[C@@H]1F 240690a_100015190264_100015343762 [1,0,0,1,0,0|2,0,0]=4 15825 B8R1.20 CC(=O)N[C@@H]1C[C@@H]1F 527a_100015190264_100103153847 [1,0,0,1,0,0|2,0,0]=4 15826 B8R1.20 CC(=O)N[C@@H]1C[C@H]1F 11a_100025746932_100015343762 [1,0,0,1,0,0|2,0,0]=4 15827 B8R1.20 CC(=O)N[C@@H]1C[C@H]1F 1626a_100025746932_100015343762 [1,0,0,1,0,0|2,0,0]=4 15828 B8R1.20 CC(=O)N[C@@H]1C[C@H]1F 240690a_100025746932_100015343762 [1,0,0,1,0,0|2,0,0]=4 15829 B8R1.20 CC(=O)N[C@@H]1C[C@H]1F 527a_100025746932_100103153847 [1,0,0,1,0,0|2,0,0]=4 15830 B8R1.31 CC(=O)C1CCC1=O 1458a_100000070787_100009892977 [1,0,0,1,0,0|1,0,1]=4 15831 B8R1.31 CC(=O)N1CCC1C 11a_100000755817_100015343762 [1,0,0,1,0,0|1,0,0]=3 15832 B8R1.31 CC(=O)N1CCC1C 240690a_100000755817_100015343762 [1,0,0,1,0,0|1,0,0]=3 15833 B8R1.31 CC(=O)N1CCC1C 527a_100000755817_100103153847 [1,0,0,1,0,0|1,0,0]=3 15834 B8R1.31 CN1CCC1C(=O)O 269956a_100000021838_200000210301 [1,0,0,1,0,0|2,0,0]=4 15835 B8R1.31 [13CH3]N1CCC1C(=O)O 269956a_100000021838_200025704644 [1,0,0,1,0,0|2,0,0]=4 15836 B8R1.34 C=C(C)CN1CCC1 269982a_100000754969_100000748629 [1,0,0,1,0,0|2,0,0]=4 15837 B8R1.34 CC(=O)C=C1CCC1 1458a_100000686340_200000210301 [1,0,0,1,0,0|0,0,2]=4 15838 B8R1.34 CC(=O)CC1CCC1 1458a_100000070787_100000763275 [1,0,0,1,0,0|0,0,0]=2 15839 B8R1.34 CC(=O)CC1CCC1 1458a_100000763092_200000210301 [1,0,0,1,0,0|0,0,0]=2 15840 B8R1.34 CC(=O)CC1CCO1 1458a_100000070787_100000103362 [1,0,0,1,0,0|1,0,0]=3 15841 B8R1.34 CC(=O)CC1COC1 1458a_100000070787_100010264016 [1,0,0,1,0,0|1,0,0]=3 15842 B8R1.34 CC(=O)CC1COC1 1458a_100000687760_200000210301 [1,0,0,1,0,0|1,0,0]=3 15843 B8R1.34 CC(=O)NC1CCC1 11a_100000749019_100015343762 [1,0,0,1,0,0|1,0,0]=3 15844 B8R1.34 CC(=O)NC1CCC1 1626a_100000749019_100015343762 [1,0,0,1,0,0|1,0,0]=3 15845 B8R1.34 CC(=O)NC1CCC1 240690a_100000749019_100015343762 [1,0,0,1,0,0|1,0,0]=3 15846 B8R1.34 CC(=O)NC1CCC1 527a_100000749019_100103153847 [1,0,0,1,0,0|1,0,0]=3 15847 B8R1.34 CC(=O)NC1COC1 11a_100016991112_100015343762 [1,0,0,1,0,0|2,0,0]=4 15848 B8R1.34 CC(=O)NC1COC1 1626a_100016991112_100015343762 [1,0,0,1,0,0|2,0,0]=4 15849 B8R1.34 CC(=O)NC1COC1 240690a_100016991112_100015343762 [1,0,0,1,0,0|2,0,0]=4 15850 B8R1.34 CC(=O)NC1COC1 527a_100016991112_100103153847 [1,0,0,1,0,0|2,0,0]=4 15851 B8R1.34 CC(=O)NC1CSC1 11a_100016994217_100015343762 [1,0,0,1,0,0|2,0,0]=4 15852 B8R1.34 CC(=O)NC1CSC1 1626a_100016994217_100015343762 [1,0,0,1,0,0|2,0,0]=4 15853 B8R1.34 CC(=O)NC1CSC1 240690a_100016994217_100015343762 [1,0,0,1,0,0|2,0,0]=4 15854 B8R1.34 CC(=O)NC1CSC1 527a_100016994217_100103153847 [1,0,0,1,0,0|2,0,0]=4 15855 B8R1.34 CN(C)CC1CCC1 2230a_100102631434_100000763275 [1,0,0,1,0,0|2,0,0]=4 15856 B8R1.34 CN(C)CC1CCC1 2230a_200000750244_200000210301 [1,0,0,1,0,0|2,0,0]=4 15857 B8R1.34 CN(C)CC1CCC1 269982a_100102631434_100000763275 [1,0,0,1,0,0|2,0,0]=4 15858 B8R1.34 CN(C)CC1CCC1 269982a_200000750244_200000210301 [1,0,0,1,0,0|2,0,0]=4 15859 B8R1.34 CN(C)CC1CCC1 34a_200000750244_200000210301 [1,0,0,1,0,0|2,0,0]=4 15860 B8R1.34 CN([13CH3])CC1CCC1 2230a_200000750244_200025704644 [1,0,0,1,0,0|2,0,0]=4 15861 B8R1.34 CN([13CH3])CC1CCC1 269982a_200000750244_200025704644 [1,0,0,1,0,0|2,0,0]=4 15862 B8R1.34 CN([13CH3])CC1CCC1 34a_200000750244_200025704644 [1,0,0,1,0,0|2,0,0]=4 15863 B8R1.34 NC(=O)CN1CCC1 269982a_100000754969_100000187820 [1,0,0,1,0,0|2,0,0]=4 15864 B8R1.34 O=C([O-])CN1CCC1 269982a_100000754969_100020667443 [1,0,0,1,0,0|2,0,0]=4 15865 B8R1.34 [13CH3]C(=O)C=C1CCC1 1458a_100000686340_200025704644 [1,0,0,1,0,0|0,0,2]=4 15866 B8R1.34 [13CH3]C(=O)CC1CCC1 1458a_100000763092_200025704644 [1,0,0,1,0,0|0,0,0]=2 15867 B8R1.34 [13CH3]C(=O)CC1COC1 1458a_100000687760_200025704644 [1,0,0,1,0,0|1,0,0]=3 15868 B8R1.35 C=C(C)CNC1CC1 34a_100000212008_100000748629 [1,0,0,1,0,0|2,0,0]=4 15869 B8R1.35 C=C(C)COC1CC1 34a_100000210245_100000211595 [1,0,0,1,0,0|2,0,0]=4 15870 B8R1.35 C=C(C)CSC1CC1 62a_100000748629_100000211595 [1,0,0,1,0,0|2,0,0]=4 15871 B8R1.35 CC(=O)C=CC1CC1 1458a_100102529529_200000210301 [1,0,0,1,0,0|0,0,2]=4 15872 B8R1.35 CC(=O)CCC1CC1 1458a_100000070787_100000694398 [1,0,0,1,0,0|0,0,0]=2 15873 B8R1.35 CC(=O)CCC1CC1 1458a_100000756386_200000210301 [1,0,0,1,0,0|0,0,0]=2 15874 B8R1.35 CC(=O)CCC1CO1 1458a_100000070787_100000732470 [1,0,0,1,0,0|1,0,0]=3 15875 B8R1.35 CC(=O)COC1CC1 34a_100000211253_100000211595 [1,0,0,1,0,0|1,0,0]=3 15876 B8R1.35 CC(=O)NCC1CC1 11a_100000735609_100015343762 [1,0,0,1,0,0|1,0,0]=3 15877 B8R1.35 CC(=O)NCC1CC1 1626a_100000735609_100015343762 [1,0,0,1,0,0|1,0,0]=3 15878 B8R1.35 CC(=O)NCC1CC1 240690a_100000735609_100015343762 [1,0,0,1,0,0|1,0,0]=3 15879 B8R1.35 CC(=O)NCC1CC1 527a_100000735609_100103153847 [1,0,0,1,0,0|1,0,0]=3 15880 B8R1.35 CC(=O)NNC1CC1 22a_100000701032_100000070787 [1,0,0,1,0,0|2,0,0]=4 15881 B8R1.35 CN(C)CCC1CC1 2230a_100102631434_100000694398 [1,0,0,1,0,0|2,0,0]=4 15882 B8R1.35 CN(C)CCC1CC1 269982a_100102631434_100000694398 [1,0,0,1,0,0|2,0,0]=4 15883 B8R1.35 NC(=O)CNC1CC1 34a_100000212008_100000187820 [1,0,0,1,0,0|2,0,0]=4 15884 B8R1.35 NC(=O)CSC1CC1 62a_100000747473_100000211595 [1,0,0,1,0,0|2,0,0]=4 15885 B8R1.35 O=C(O)CNC1CC1 269956a_100016091260_100000211595 [1,0,0,1,0,0|2,0,0]=4 15886 B8R1.35 O=C([O-])CNC1CC1 34a_100000212008_100020667443 [1,0,0,1,0,0|2,0,0]=4 15887 B8R1.35 O=C([O-])CSC1CC1 62a_100020667443_100000211595 [1,0,0,1,0,0|2,0,0]=4 15888 B8R1.35 [13CH3]C(=O)C=CC1CC1 1458a_100102529529_200025704644 [1,0,0,1,0,0|0,0,2]=4 15889 B8R1.35 [13CH3]C(=O)CCC1CC1 1458a_100000756386_200025704644 [1,0,0,1,0,0|0,0,0]=2 15890 B8R1.43 CC(=O)[C@@H]1C[C@H]1C#N 1458a_100015294237_200000210301 [1,0,0,1,0,0|1,0,1]=4 15891 B8R1.43 CCC1CC1C(=O)C 1458a_200011661523_200000210301 [1,0,0,1,0,0|0,0,0]=2 15892 B8R1.43 CCC1CC1C(=O)[13CH3] 1458a_200011661523_200025704644 [1,0,0,1,0,0|0,0,0]=2 15893 B8R1.43 [13CH3]C(=O)[C@@H]1C[C@H]1C#N 1458a_100015294237_200025704644 [1,0,0,1,0,0|1,0,1]=4 15894 B10R1.13 C=C1CCC(CC1)C(=O)C 1458a_200000138047_200000210301 [0,1,0,1,0,0|0,0,1]=3 15895 B10R1.13 C=C1CCC(CC1)C(=O)[13CH3] 1458a_200000138047_200025704644 [0,1,0,1,0,0|0,0,1]=3 15896 B10R1.13 C=C1CCN(CC1)C(=O)C 11a_100000752442_100015343762 [0,1,0,1,0,0|1,0,1]=4 15897 B10R1.13 C=C1CCN(CC1)C(=O)C 1626a_100000752442_100015343762 [0,1,0,1,0,0|1,0,1]=4 15898 B10R1.13 C=C1CCN(CC1)C(=O)C 240690a_100000752442_100015343762 [0,1,0,1,0,0|1,0,1]=4 15899 B10R1.13 C=C1CCN(CC1)C(=O)C 527a_100000752442_100103153847 [0,1,0,1,0,0|1,0,1]=4 15900 B10R1.13 CC(=O)C1CC=C(CC1)C 1458a_100000137427_200000210301 [0,1,0,1,0,0|0,0,2]=4 15901 B10R1.13 CC(=O)C1CCC(=O)NC1 1458a_100000740907_200000210301 [0,1,0,1,0,0|1,0,1]=4 15902 B10R1.13 CC(=O)C1CCC(CC1)C 1458a_100000070787_200011216234 [0,1,0,1,0,0|0,0,0]=2 15903 B10R1.13 CC(=O)C1CCC(CC1)O 1458a_100000743365_200000210301 [0,1,0,1,0,0|0,0,0]=2 15904 B10R1.13 CC(=O)C1CCN(CC1)C 1458a_100000743488_200000210301 [0,1,0,1,0,0|1,0,0]=3 15905 B10R1.13 CC(=O)N1CCC(CC1)C 240690a_100000188429_100015343762 [0,1,0,1,0,0|1,0,0]=3 15906 B10R1.13 CC(=O)N1CCC(CC1)C 527a_100000188429_100103153847 [0,1,0,1,0,0|1,0,0]=3 15907 B10R1.13 CC(=O)N1CCC(CC1)F 11a_100015193889_100015343762 [0,1,0,1,0,0|1,0,0]=3 15908 B10R1.13 CC(=O)N1CCC(CC1)F 1626a_100015193889_100015343762 [0,1,0,1,0,0|1,0,0]=3 15909 B10R1.13 CC(=O)N1CCC(CC1)F 240690a_100015193889_100015343762 [0,1,0,1,0,0|1,0,0]=3 15910 B10R1.13 CC(=O)N1CCC(CC1)F 527a_100015193889_100103153847 [0,1,0,1,0,0|1,0,0]=3 15911 B10R1.13 CC(=O)N1CCC(CC1)O 240690a_100025773856_100015343762 [0,1,0,1,0,0|1,0,0]=3 15912 B10R1.13 CC(=O)N1CCC(CC1)O 527a_100025773856_100103153847 [0,1,0,1,0,0|1,0,0]=3 15913 B10R1.13 CC(=O)N1CCN(CC1)C 11a_100000188432_100015343762 [0,1,0,1,0,0|2,0,0]=4 15914 B10R1.13 CC(=O)N1CCN(CC1)C 2230a_100000210354_200000210301 [0,1,0,1,0,0|2,0,0]=4 15915 B10R1.13 CC(=O)N1CCN(CC1)C 240690a_100000188432_100015343762 [0,1,0,1,0,0|2,0,0]=4 15916 B10R1.13 CC(=O)N1CCN(CC1)C 269982a_100000210354_200000210301 [0,1,0,1,0,0|2,0,0]=4 15917 B10R1.13 CC(=O)N1CCN(CC1)C 527a_100000188432_100103153847 [0,1,0,1,0,0|2,0,0]=4 15918 B10R1.13 CC(=O)N1CCN(CC1)[13CH3] 2230a_100000210354_200025704644 [0,1,0,1,0,0|2,0,0]=4 15919 B10R1.13 CC(=O)N1CCN(CC1)[13CH3] 269982a_100000210354_200025704644 [0,1,0,1,0,0|2,0,0]=4 15920 B10R1.13 CC(=O)N1CCS(=O)CC1 240690a_100000752083_100015343762 [0,1,0,1,0,0|2,0,0]=4 15921 B10R1.13 CC(=O)N1CCS(=O)CC1 527a_100000752083_100103153847 [0,1,0,1,0,0|2,0,0]=4 15922 B10R1.13 CC(=O)[C@H]1CC[C@@H](CC1)C 1458a_100009815934_200000210301 [0,1,0,1,0,0|0,0,0]=2 15923 B10R1.13 CC1=CCC(CC1)C(=O)[13CH3] 1458a_100000137427_200025704644 [0,1,0,1,0,0|0,0,2]=4 15924 B10R1.13 CC1CCC(CC1)N(C)C 269982a_100102631434_200011216234 [0,1,0,1,0,0|2,0,0]=4 15925 B10R1.13 CC1CCC(CC1)N(C)C 270004a_100102631434_100000185489 [0,1,0,1,0,0|2,0,0]=4 15926 B10R1.13 CN(C)C1CCC(CC1)O 270004a_100102631434_100000764474 [0,1,0,1,0,0|2,0,0]=4 15927 B10R1.13 CN(C)[C@H]1CC[C@H](CC1)O 2230a_100020636401_200000210301 [0,1,0,1,0,0|2,0,0]=4 15928 B10R1.13 CN(C)[C@H]1CC[C@H](CC1)O 269982a_100020636401_200000210301 [0,1,0,1,0,0|2,0,0]=4 15929 B10R1.13 CN([13CH3])[C@H]1CC[C@H](CC1)O 2230a_100020636401_200025704644 [0,1,0,1,0,0|2,0,0]=4 15930 B10R1.13 CN([13CH3])[C@H]1CC[C@H](CC1)O 269982a_100020636401_200025704644 [0,1,0,1,0,0|2,0,0]=4 15931 B10R1.13 CN1CCC(CC1)C(=O)N 2230a_100000210938_200000210301 [0,1,0,1,0,0|2,0,0]=4 15932 B10R1.13 CN1CCC(CC1)C(=O)N 269982a_100000210938_200000210301 [0,1,0,1,0,0|2,0,0]=4 15933 B10R1.13 CN1CCC(CC1)C(=O)N 34a_100000210938_200000210301 [0,1,0,1,0,0|2,0,0]=4 15934 B10R1.13 CN1CCC(CC1)C(=O)O 269956a_100000210459_200000210301 [0,1,0,1,0,0|2,0,0]=4 15935 B10R1.13 CN1CCC(CC1)C(=O)[13CH3] 1458a_100000743488_200025704644 [0,1,0,1,0,0|1,0,0]=3 15936 B10R1.13 C[C@H]1CC[C@@H](CC1)C(=O)[13CH3] 1458a_100009815934_200025704644 [0,1,0,1,0,0|0,0,0]=2 15937 B10R1.13 [13CH3]C(=O)C1CCC(=O)NC1 1458a_100000740907_200025704644 [0,1,0,1,0,0|1,0,1]=4 15938 B10R1.13 [13CH3]C(=O)C1CCC(CC1)O 1458a_100000743365_200025704644 [0,1,0,1,0,0|0,0,0]=2 15939 B10R1.13 [13CH3]N1CCC(CC1)C(=O)N 2230a_100000210938_200025704644 [0,1,0,1,0,0|2,0,0]=4 15940 B10R1.13 [13CH3]N1CCC(CC1)C(=O)N 269982a_100000210938_200025704644 [0,1,0,1,0,0|2,0,0]=4 15941 B10R1.13 [13CH3]N1CCC(CC1)C(=O)N 34a_100000210938_200025704644 [0,1,0,1,0,0|2,0,0]=4 15942 B10R1.13 [13CH3]N1CCC(CC1)C(=O)O 269956a_100000210459_200025704644 [0,1,0,1,0,0|2,0,0]=4 15943 B10R1.14 CCC(=O)C1CCC(=O)N1 1458a_100000210400_100000210202 [0,1,0,1,0,0|1,0,1]=4 15944 B10R1.14 CCC(=O)C1CNC(=O)C1 1458a_100000747279_100000210202 [0,1,0,1,0,0|1,0,1]=4 15945 B10R1.14 CCC(=O)[C@@H]1CCC(=O)O1 1458a_100009814974_100000210202 [0,1,0,1,0,0|1,0,1]=4 15946 B10R1.14 CCC(C)N1CNC(=O)C1 2230a_200000708111_100000758301 [0,1,0,1,0,0|2,0,0]=4 15947 B10R1.31 CC(=O)N1CCC(C1)CO 240690a_100000748654_100015343762 [0,1,0,1,0,0|2,0,0]=4 15948 B10R1.31 CC(=O)N1CCC(C1)CO 527a_100000748654_100103153847 [0,1,0,1,0,0|2,0,0]=4 15949 B10R1.31 CC(=O)N1CCC(C1)N[13CH3] 2230a_100000705975_200025704644 [0,1,0,1,0,0|2,0,0]=4 15950 B10R1.31 CC(=O)N1CC[C@@H](C1)O[13CH3] 7a_100012000934_200025704644 [0,1,0,1,0,0|2,0,0]=4 15951 B10R1.31 CCC1CCC(C1)N(C)C 270004a_100102631434_100011218773 [0,1,0,1,0,0|2,0,0]=4 15952 B10R1.31 CCN1CCC(C1)C(=O)C 1458a_100103286618_200000210301 [0,1,0,1,0,0|1,0,0]=3 15953 B10R1.31 CCN1CCC(C1)C(=O)N 2230a_100000752358_100000210202 [0,1,0,1,0,0|2,0,0]=4 15954 B10R1.31 CCN1CCC(C1)C(=O)N 269982a_100000752358_100000204670 [0,1,0,1,0,0|2,0,0]=4 15955 B10R1.31 CCN1CCC(C1)C(=O)N 34a_100000752358_100000210202 [0,1,0,1,0,0|2,0,0]=4 15956 B10R1.31 CCN1CCC(C1)C(=O)[13CH3] 1458a_100103286618_200025704644 [0,1,0,1,0,0|1,0,0]=3 15957 B10R1.31 CNC1CCN(C1)C(=O)C 2230a_100000705975_200000210301 [0,1,0,1,0,0|2,0,0]=4 15958 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 15959 B10R1.31 CO[C@@H]1CCN(C1)C(=O)C 11a_100000766984_100015343762 [0,1,0,1,0,0|2,0,0]=4 15960 B10R1.31 CO[C@@H]1CCN(C1)C(=O)C 1626a_100000766984_100015343762 [0,1,0,1,0,0|2,0,0]=4 15961 B10R1.31 CO[C@@H]1CCN(C1)C(=O)C 240690a_100000766984_100015343762 [0,1,0,1,0,0|2,0,0]=4 15962 B10R1.31 CO[C@@H]1CCN(C1)C(=O)C 527a_100000766984_100103153847 [0,1,0,1,0,0|2,0,0]=4 15963 B10R1.31 CO[C@H]1CCN(C1)C(=O)C 7a_100012000934_200000210301 [0,1,0,1,0,0|2,0,0]=4 15964 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 15965 B10R1.54 C=C(C)CN1CCC(C1)O 2230a_100011215560_100000748629 [0,1,0,1,0,0|2,0,0]=4 15966 B10R1.54 C=C(C)CN1CCC(C1)O 269982a_100011215560_100000748629 [0,1,0,1,0,0|2,0,0]=4 15967 B10R1.54 C=C(C)CN1CC[C@@H](C1)F 2230a_100015203821_100000748629 [0,1,0,1,0,0|2,0,0]=4 15968 B10R1.54 C=C(C)CN1CC[C@@H](C1)F 269982a_100015203821_100000748629 [0,1,0,1,0,0|2,0,0]=4 15969 B10R1.54 C=C(C)CN1CC[C@@H](C1)F 34a_100015203821_100000748629 [0,1,0,1,0,0|2,0,0]=4 15970 B10R1.54 C=C(C)CN1CC[C@H](C1)C 2230a_100016987628_100000748629 [0,1,0,1,0,0|2,0,0]=4 15971 B10R1.54 C=C(C)CN1CC[C@H](C1)C 269982a_100016987628_100000748629 [0,1,0,1,0,0|2,0,0]=4 15972 B10R1.54 C=C(C)CN1CC[C@H](C1)C 34a_100016987628_100000748629 [0,1,0,1,0,0|2,0,0]=4 15973 B10R1.54 CC(=O)CC1CCC(=O)N1 1458a_100000026770_200000210301 [0,1,0,1,0,0|1,0,1]=4 15974 B10R1.54 CC(=O)CC1CCN(C1)C 1458a_100000070787_200000690779 [0,1,0,1,0,0|1,0,0]=3 15975 B10R1.54 CC(=O)CN1CCC(=N1)C 1458a_100015183194_200000210301 [0,1,0,1,0,0|1,0,1]=4 15976 B10R1.54 CC(=O)C[C@@H]1CCC(=O)N1 1458a_100000070787_100015189358 [0,1,0,1,0,0|1,0,1]=4 15977 B10R1.54 CC(=O)NC1CCN(C1)C 1626a_100000744687_100015343762 [0,1,0,1,0,0|2,0,0]=4 15978 B10R1.54 CC(=O)NC1CCN(C1)C 240690a_100000744687_100015343762 [0,1,0,1,0,0|2,0,0]=4 15979 B10R1.54 CC(=O)NC1CCN(C1)C 527a_100000744687_100103153847 [0,1,0,1,0,0|2,0,0]=4 15980 B10R1.54 CC(=O)N[C@H]1CCN(C1)C 2230a_100016989438_200000210301 [0,1,0,1,0,0|2,0,0]=4 15981 B10R1.54 CC(=O)N[C@H]1CCN(C1)C 269982a_100016989438_200000210301 [0,1,0,1,0,0|2,0,0]=4 15982 B10R1.54 CC(=O)N[C@H]1CCN(C1)[13CH3] 2230a_100016989438_200025704644 [0,1,0,1,0,0|2,0,0]=4 15983 B10R1.54 CC(=O)N[C@H]1CCN(C1)[13CH3] 269982a_100016989438_200025704644 [0,1,0,1,0,0|2,0,0]=4 15984 B10R1.54 CC(=O)N[C@H]1CC[C@H](C1)O 1626a_100015195300_100015343762 [0,1,0,1,0,0|1,0,0]=3 15985 B10R1.54 CC(=O)N[C@H]1CC[C@H](C1)O 240690a_100015195300_100015343762 [0,1,0,1,0,0|1,0,0]=3 15986 B10R1.54 CC(C)CN1CNC(=O)C1 2230a_200000708111_100000210760 [0,1,0,1,0,0|2,0,0]=4 15987 B10R1.54 CC(C)NC1CNC(=O)C1 2230a_100000697751_100000210206 [0,1,0,1,0,0|2,0,0]=4 15988 B10R1.54 CC(C)OC1CCC(=O)C1 34a_100012614533_100000210206 [0,1,0,1,0,0|1,0,0]=3 15989 B10R1.54 CC(C)OC1CNC(=O)C1 34a_100000690082_100000210206 [0,1,0,1,0,0|2,0,0]=4 15990 B10R1.54 CC(O)CN1CNC(=O)C1 2230a_200000708111_100011218427 [0,1,0,1,0,0|2,0,0]=4 15991 B10R1.54 CC1=NN(CC1)CC(=O)[13CH3] 1458a_100015183194_200025704644 [0,1,0,1,0,0|1,0,1]=4 15992 B10R1.54 CN(C)C[C@@H]1CCC(=O)N1 2230a_100102631434_100015189358 [0,1,0,1,0,0|2,0,0]=4 15993 B10R1.54 CN(C)C[C@@H]1CCC(=O)N1 269982a_100102631434_100015189358 [0,1,0,1,0,0|2,0,0]=4 15994 B10R1.54 CN1CCC(C1)CC(=O)O 269956a_100000719201_200000210301 [0,1,0,1,0,0|2,0,0]=4 15995 B10R1.54 C[C@@H](O)CN1CNC(=O)C1 2230a_200000708111_100009817552 [0,1,0,1,0,0|2,0,0]=4 15996 B10R1.54 C[C@@H]1CCN(C1)CC(=O)N 2230a_100016987628_100000747473 [0,1,0,1,0,0|2,0,0]=4 15997 B10R1.54 C[C@@H]1CCN(C1)CC(=O)N 269982a_100016987628_100000187820 [0,1,0,1,0,0|2,0,0]=4 15998 B10R1.54 C[C@@H]1CCN(C1)CC(=O)N 34a_100016987628_100000187820 [0,1,0,1,0,0|2,0,0]=4 15999 B10R1.54 C[C@@H]1CCN(C1)CC(=O)[O-] 269982a_100016987628_100020667443 [0,1,0,1,0,0|2,0,0]=4 16000 B10R1.54 C[C@@H]1CCN(C1)CC(=O)[O-] 34a_100016987628_100020667443 [0,1,0,1,0,0|2,0,0]=4 16001 B10R1.54 NC(=O)CN1CCC(C1)O 2230a_100011215560_100000747473 [0,1,0,1,0,0|2,0,0]=4 16002 B10R1.54 NC(=O)CN1CCC(C1)O 269982a_100011215560_100000187820 [0,1,0,1,0,0|2,0,0]=4 16003 B10R1.54 NC(=O)CN1CC[C@@H](C1)F 2230a_100015203821_100000747473 [0,1,0,1,0,0|2,0,0]=4 16004 B10R1.54 NC(=O)CN1CC[C@@H](C1)F 269982a_100015203821_100000187820 [0,1,0,1,0,0|2,0,0]=4 16005 B10R1.54 NC(=O)CN1CC[C@@H](C1)F 34a_100015203821_100000187820 [0,1,0,1,0,0|2,0,0]=4 16006 B10R1.54 O=C([O-])CN1CCC(C1)O 269982a_100011215560_100020667443 [0,1,0,1,0,0|2,0,0]=4 16007 B10R1.54 O=C([O-])CN1CC[C@@H](C1)F 269982a_100015203821_100020667443 [0,1,0,1,0,0|2,0,0]=4 16008 B10R1.54 O=C([O-])CN1CC[C@@H](C1)F 34a_100015203821_100020667443 [0,1,0,1,0,0|2,0,0]=4 16009 B10R1.54 [13CH3]C(=O)CC1CCC(=O)N1 1458a_100000026770_200025704644 [0,1,0,1,0,0|1,0,1]=4 16010 B10R1.54 [13CH3]N1CCC(C1)CC(=O)O 269956a_100000719201_200025704644 [0,1,0,1,0,0|2,0,0]=4 16011 B10R1.73 C=C(C)CCN[C@@H]1C[C@@H]1F 2230a_100015190264_100000730704 [0,1,0,1,0,0|2,0,0]=4 16012 B10R1.73 C=C(C)CCN[C@@H]1C[C@H]1F 2230a_100025746932_100000730704 [0,1,0,1,0,0|2,0,0]=4 16013 B10R1.73 C=C(C)CCN[C@@H]1C[C@H]1F 34a_100025746932_100000730704 [0,1,0,1,0,0|2,0,0]=4 16014 B10R1.73 C=C(C)COCC1CC1C 34a_100000744939_100000748629 [0,1,0,1,0,0|1,0,0]=3 16015 B10R1.73 C=C(C)COCC1CC1C 7a_100000744939_100000748629 [0,1,0,1,0,0|1,0,0]=3 16016 B10R1.73 C=C(F)COCC1CC1C 34a_100000744939_100009893438 [0,1,0,1,0,0|1,0,1]=4 16017 B10R1.73 C=C(F)COCC1CC1C 7a_100000744939_100000042424 [0,1,0,1,0,0|1,0,1]=4 16018 B10R1.73 CC(=O)OCN[C@@H]1C[C@H]1F 34a_100025746932_100009813279 [0,1,0,1,0,0|2,0,0]=4 16019 B10R1.73 CC(C)COCC1CC1C 34a_100000744939_100000210624 [0,1,0,1,0,0|1,0,1]=4 16020 B10R1.73 CC(C)COCC1CC1C 7a_100000744939_100000210760 [0,1,0,1,0,0|1,0,1]=4 16021 B10R1.73 CC(O)COCC1CC1C 34a_100000744939_100011218427 [0,1,0,1,0,0|0,0,2]=4 16022 B10R1.73 CC(O)COCC1CC1C 7a_100000744939_100011218427 [0,1,0,1,0,0|0,0,2]=4 16023 B10R1.73 CC1CC1COCC(=O)N 34a_100000744939_100000187820 [0,1,0,1,0,0|1,0,0]=3 16024 B10R1.73 CC1CC1COCC(=O)N 7a_100000744939_100000187820 [0,1,0,1,0,0|1,0,0]=3 16025 B10R1.73 CC1CC1COCC(=O)[O-] 34a_100000744939_100020667443 [0,1,0,1,0,0|1,0,0]=3 16026 B10R1.73 CC1CC1COC[C@@H](C)O 34a_100000744939_100009817552 [0,1,0,1,0,0|0,0,2]=4 16027 B10R1.73 CC1CC1COC[C@@H](C)O 7a_100000744939_100009817552 [0,1,0,1,0,0|0,0,2]=4 16028 B10R1.73 CC1CC1COC[N+](=O)[O-] 34a_100000744939_100000761209 [0,1,0,1,0,0|2,0,0]=4 16029 B10R1.73 NC(=O)CCN[C@@H]1C[C@@H]1F 2230a_100015190264_100000744528 [0,1,0,1,0,0|2,0,0]=4 16030 B10R1.73 NC(=O)CCN[C@@H]1C[C@H]1F 2230a_100025746932_100000744528 [0,1,0,1,0,0|2,0,0]=4 16031 B10R1.73 NC(=O)CCN[C@@H]1C[C@H]1F 34a_100025746932_100000731001 [0,1,0,1,0,0|2,0,0]=4 16032 B10R1.80 C=C(C)CN1C[C@@H]([C@@H]1C)O 2230a_206633788156_100000748629 [0,1,0,1,0,0|2,0,0]=4 16033 B10R1.80 C=C(C)CN1C[C@@H]([C@@H]1C)O 269982a_206633788156_100000748629 [0,1,0,1,0,0|2,0,0]=4 16034 B10R1.80 C[C@H]1[C@H](CN1CC(=O)N)O 2230a_206633788156_100000747473 [0,1,0,1,0,0|2,0,0]=4 16035 B10R1.80 C[C@H]1[C@H](CN1CC(=O)N)O 269982a_206633788156_100000187820 [0,1,0,1,0,0|2,0,0]=4 16036 B10R1.80 C[C@H]1[C@H](CN1CC(=O)[O-])O 269982a_206633788156_100020667443 [0,1,0,1,0,0|2,0,0]=4 16037 B10R1.117 C=C(C)CCN1CCC1C 269982a_100000755817_100000730704 [0,1,0,1,0,0|1,0,0]=3 16038 B10R1.117 C=C(C)CCN1CCC1C 34a_100000755817_100000730704 [0,1,0,1,0,0|1,0,0]=3 16039 B10R1.117 CC(=CCN1CCC1C)C 269982a_100000755817_100000761012 [0,1,0,1,0,0|1,0,1]=4 16040 B10R1.117 CC(=CCN1CCC1C)C 34a_100000755817_100000761012 [0,1,0,1,0,0|1,0,1]=4 16041 B10R1.117 CC(=O)CCC1CCC1=O 1458a_100000070787_200016118888 [0,1,0,1,0,0|0,0,1]=3 16042 B10R1.117 CC(=O)CCN1CCC1C 269982a_100000755817_100000053229 [0,1,0,1,0,0|0,0,0]=2 16043 B10R1.117 CC(=O)COC1CCC1=O 34a_100000211253_100009892977 [0,1,0,1,0,0|1,0,1]=4 16044 B10R1.117 CC(=O)OCN1CCC1C 269982a_100000755817_100000076356 [0,1,0,1,0,0|1,0,0]=3 16045 B10R1.117 CC(=O)OCN1CCC1C 34a_100000755817_100009813279 [0,1,0,1,0,0|1,0,0]=3 16046 B10R1.117 CC(C)CCN1CCC1C 269982a_100000755817_100000210312 [0,1,0,1,0,0|1,0,1]=4 16047 B10R1.117 CC(C)CCN1CCC1C 34a_100000755817_100000210312 [0,1,0,1,0,0|1,0,1]=4 16048 B10R1.117 CC(O)CCN1CCC1C 269982a_100000755817_100012276601 [0,1,0,1,0,0|0,0,2]=4 16049 B10R1.117 CC(O)CCN1CCC1C 34a_100000755817_100012276601 [0,1,0,1,0,0|0,0,2]=4 16050 B10R1.117 CC1CCN1CCC(=O)N 269982a_100000755817_100000744528 [0,1,0,1,0,0|1,0,0]=3 16051 B10R1.117 CC1CCN1CCC(=O)N 34a_100000755817_100000731001 [0,1,0,1,0,0|1,0,0]=3 16052 B10R1.117 CC1CCN1CCN(C)C 269982a_100000755817_100000755713 [0,1,0,1,0,0|2,0,0]=4 16053 B10R1.127 C=C(Br)CCOC1CCC1 34a_100009813270_100000749161 [0,1,0,1,0,0|1,0,1]=4 16054 B10R1.127 C=C(C)CCNC1CCC1 2230a_100000749019_100000730704 [0,1,0,1,0,0|1,0,0]=3 16055 B10R1.127 C=C(C)CCNC1CCC1 34a_100000749019_100000730704 [0,1,0,1,0,0|1,0,0]=3 16056 B10R1.127 C=C(C)CCNC1COC1 2230a_100016991112_100000730704 [0,1,0,1,0,0|2,0,0]=4 16057 B10R1.127 C=C(C)CCOC1CCC1 34a_100000748187_100000730704 [0,1,0,1,0,0|1,0,0]=3 16058 B10R1.127 C=C(C)CCOC1CCC1 34a_100000764851_100000749161 [0,1,0,1,0,0|1,0,0]=3 16059 B10R1.127 C=C(C)CCOC1COC1 34a_100000764851_100009818527 [0,1,0,1,0,0|2,0,0]=4 16060 B10R1.127 C=C(C)CCOC1CSC1 7a_100000072292_100000730704 [0,1,0,1,0,0|2,0,0]=4 16061 B10R1.127 C=C(C)CCSC1CCC1 62a_100000730704_100000749161 [0,1,0,1,0,0|1,0,0]=3 16062 B10R1.127 C=C(C)CCSC1COC1 62a_100000730704_100009818527 [0,1,0,1,0,0|2,0,0]=4 16063 B10R1.127 C=C(C)CNCC1CCC1 2230a_100000738700_100000748629 [0,1,0,1,0,0|1,0,0]=3 16064 B10R1.127 C=C(C)CNCC1CCC1 34a_100000738700_100000748629 [0,1,0,1,0,0|1,0,0]=3 16065 B10R1.127 C=C(C)CNCC1COC1 2230a_100015281925_100000748629 [0,1,0,1,0,0|2,0,0]=4 16066 B10R1.127 C=C(C)CNCC1COC1 34a_100015281925_100000748629 [0,1,0,1,0,0|2,0,0]=4 16067 B10R1.127 C=C(C)CNC[C@@H]1CCO1 2230a_100020831831_100000748629 [0,1,0,1,0,0|2,0,0]=4 16068 B10R1.127 C=C(C)CNC[C@@H]1CCO1 34a_100020831831_100000748629 [0,1,0,1,0,0|2,0,0]=4 16069 B10R1.127 C=C(C)COCC1CCC1 34a_100000210245_100000763275 [0,1,0,1,0,0|1,0,0]=3 16070 B10R1.127 C=C(C)COCC1CCC1 34a_100000760304_100000748629 [0,1,0,1,0,0|1,0,0]=3 16071 B10R1.127 C=C(C)COCC1CCO1 34a_100000039022_100000748629 [0,1,0,1,0,0|2,0,0]=4 16072 B10R1.127 C=C(C)COCC1CCO1 34a_100000210245_100000103362 [0,1,0,1,0,0|2,0,0]=4 16073 B10R1.127 C=C(C)COCC1CNC1 34a_100016987283_100000748629 [0,1,0,1,0,0|2,0,0]=4 16074 B10R1.127 C=C(C)COCC1COC1 34a_100000060846_100000748629 [0,1,0,1,0,0|2,0,0]=4 16075 B10R1.127 C=C(C)COCC1COC1 34a_100000210245_100010264016 [0,1,0,1,0,0|2,0,0]=4 16076 B10R1.127 C=C(C)CSCC1CCC1 62a_100000748629_100000763275 [0,1,0,1,0,0|1,0,0]=3 16077 B10R1.127 C=C(C)CSCC1CCC1 62a_100000763275_100000211660 [0,1,0,1,0,0|1,0,0]=3 16078 B10R1.127 C=C(C)CSCC1CCO1 62a_100000103362_100000211660 [0,1,0,1,0,0|2,0,0]=4 16079 B10R1.127 C=C(C)CSCC1CCO1 62a_100000748629_100000103362 [0,1,0,1,0,0|2,0,0]=4 16080 B10R1.127 C=C(C)CSCC1COC1 62a_100000748629_100010264016 [0,1,0,1,0,0|2,0,0]=4 16081 B10R1.127 C=C(C)CSCC1COC1 62a_100010264016_100000211660 [0,1,0,1,0,0|2,0,0]=4 16082 B10R1.127 C=C(F)CNCC1CCC1 2230a_100000738700_100009893438 [0,1,0,1,0,0|1,0,1]=4 16083 B10R1.127 C=C(F)CNCC1CCC1 34a_100000738700_100009893438 [0,1,0,1,0,0|1,0,1]=4 16084 B10R1.127 C=C(F)COCC1CCC1 34a_100000760304_100009893438 [0,1,0,1,0,0|1,0,1]=4 16085 B10R1.127 C=C(F)COCC1CCC1 34a_200010262243_100000763275 [0,1,0,1,0,0|1,0,1]=4 16086 B10R1.127 C=C(F)CSCC1CCC1 62a_100000042424_100000763275 [0,1,0,1,0,0|1,0,1]=4 16087 B10R1.127 C=C(F)CSCC1CCC1 62a_100000763275_100000042424 [0,1,0,1,0,0|1,0,1]=4 16088 B10R1.127 CC(=CCCN1CCC1)C 269982a_100000754969_100011217483 [0,1,0,1,0,0|1,0,1]=4 16089 B10R1.127 CC(=CCNC1CCC1)C 2230a_100000749019_100000761012 [0,1,0,1,0,0|1,0,1]=4 16090 B10R1.127 CC(=CCNC1CCC1)C 270004a_100000718196_100000241760 [0,1,0,1,0,0|1,0,1]=4 16091 B10R1.127 CC(=CCNC1CCC1)C 34a_100000718196_100000749161 [0,1,0,1,0,0|1,0,1]=4 16092 B10R1.127 CC(=CCNC1CCC1)C 34a_100000749019_100000761012 [0,1,0,1,0,0|1,0,1]=4 16093 B10R1.127 CC(=CCOC1CCC1)C 34a_100000748187_100000761012 [0,1,0,1,0,0|1,0,1]=4 16094 B10R1.127 CC(=CCOC1CCC1)C 34a_100000753907_100000749161 [0,1,0,1,0,0|1,0,1]=4 16095 B10R1.127 CC(=CCSC1CCC1)C 62a_100000761012_100000749161 [0,1,0,1,0,0|1,0,1]=4 16096 B10R1.127 CC(=O)CCCN1CCC1 269982a_100000754969_100011215641 [0,1,0,1,0,0|0,0,0]=2 16097 B10R1.127 CC(=O)CCOC1CCC1 34a_100000759926_100000749161 [0,1,0,1,0,0|0,0,0]=2 16098 B10R1.127 CC(=O)CCOC1COC1 34a_100000759926_100009818527 [0,1,0,1,0,0|1,0,0]=3 16099 B10R1.127 CC(=O)CCOC1COC1 7a_100000759926_100009818527 [0,1,0,1,0,0|1,0,0]=3 16100 B10R1.127 CC(=O)CCOC1CSC1 7a_100000072292_100000053229 [0,1,0,1,0,0|1,0,0]=3 16101 B10R1.127 CC(=O)CCSC1CCC1 62a_100000053229_100000749161 [0,1,0,1,0,0|0,0,0]=2 16102 B10R1.127 CC(=O)CCSC1COC1 62a_100000053229_100009818527 [0,1,0,1,0,0|1,0,0]=3 16103 B10R1.127 CC(=O)COCC1CCC1 34a_100000211253_100000763275 [0,1,0,1,0,0|0,0,0]=2 16104 B10R1.127 CC(=O)COCC1CCO1 34a_100000211253_100000103362 [0,1,0,1,0,0|1,0,0]=3 16105 B10R1.127 CC(=O)COCC1COC1 34a_100000211253_100010264016 [0,1,0,1,0,0|1,0,0]=3 16106 B10R1.127 CC(=O)NCCN1CCC1 240690a_100000691440_100015343762 [0,1,0,1,0,0|1,0,0]=3 16107 B10R1.127 CC(=O)NCCN1CCC1 269982a_100000754969_100000189650 [0,1,0,1,0,0|1,0,0]=3 16108 B10R1.127 CC(=O)NN=CC1CCC1 4a_100000189765_100000753134 [0,1,0,1,0,0|1,0,1]=4 16109 B10R1.127 CC(=O)NNCC1CCC1 22a_200020586977_100000070787 [0,1,0,1,0,0|1,0,0]=3 16110 B10R1.127 CC(=O)OCCN1CCC1 269982a_100000754969_100009814007 [0,1,0,1,0,0|1,0,0]=3 16111 B10R1.127 CC(=O)OCNC1CCC1 34a_100000749019_100009813279 [0,1,0,1,0,0|1,0,0]=3 16112 B10R1.127 CC(=O)OCOC1CCC1 34a_100000748187_100009813279 [0,1,0,1,0,0|1,0,0]=3 16113 B10R1.127 CC(=O)OCSC1CCC1 62a_100000076356_100000749161 [0,1,0,1,0,0|1,0,0]=3 16114 B10R1.127 CC(=O)OCSC1COC1 62a_100000076356_100009818527 [0,1,0,1,0,0|2,0,0]=4 16115 B10R1.127 CC(Br)CCOC1CCC1 34a_100009893172_100000749161 [0,1,0,1,0,0|1,0,1]=4 16116 B10R1.127 CC(Br)COCC1CCC1 34a_100012180447_100000763275 [0,1,0,1,0,0|1,0,1]=4 16117 B10R1.127 CC(C)CCCN1CCC1 269982a_100000754969_100011214892 [0,1,0,1,0,0|1,0,1]=4 16118 B10R1.127 CC(C)CCNC1CCC1 2230a_100000749019_100000210312 [0,1,0,1,0,0|1,0,1]=4 16119 B10R1.127 CC(C)CCNC1CCC1 269862a_100000749019_100000185833 [0,1,0,1,0,0|1,0,1]=4 16120 B10R1.127 CC(C)CCNC1CCC1 270004a_100000210545_100000241760 [0,1,0,1,0,0|1,0,1]=4 16121 B10R1.127 CC(C)CCNC1CCC1 34a_100000749019_100000210312 [0,1,0,1,0,0|1,0,1]=4 16122 B10R1.127 CC(C)CCOC1CCC1 34a_100000210254_100000749161 [0,1,0,1,0,0|1,0,1]=4 16123 B10R1.127 CC(C)CCOC1CCC1 34a_100000748187_100000210312 [0,1,0,1,0,0|1,0,1]=4 16124 B10R1.127 CC(C)CCSC1CCC1 62a_100000210312_100000749161 [0,1,0,1,0,0|1,0,1]=4 16125 B10R1.127 CC(C)CNCC1CCC1 2230a_100000210953_100000763275 [0,1,0,1,0,0|1,0,1]=4 16126 B10R1.127 CC(C)CNCC1CCC1 2230a_100000738700_100000210760 [0,1,0,1,0,0|1,0,1]=4 16127 B10R1.127 CC(C)CNCC1CCC1 269862a_100000210953_100000753134 [0,1,0,1,0,0|1,0,1]=4 16128 B10R1.127 CC(C)CNCC1CCC1 270004a_100000738700_100000210432 [0,1,0,1,0,0|1,0,1]=4 16129 B10R1.127 CC(C)CNCC1CCC1 34a_100000210953_100000763275 [0,1,0,1,0,0|1,0,1]=4 16130 B10R1.127 CC(C)CNCC1CCC1 34a_100000738700_100000210624 [0,1,0,1,0,0|1,0,1]=4 16131 B10R1.127 CC(C)COCC1CCC1 34a_100000210257_100000763275 [0,1,0,1,0,0|1,0,1]=4 16132 B10R1.127 CC(C)COCC1CCC1 34a_100000760304_100000210624 [0,1,0,1,0,0|1,0,1]=4 16133 B10R1.127 CC(C)CSCC1CCC1 62a_100000210624_100000763275 [0,1,0,1,0,0|1,0,1]=4 16134 B10R1.127 CC(C)CSCC1CCC1 62a_100000763275_100000210760 [0,1,0,1,0,0|1,0,1]=4 16135 B10R1.127 CC(F)COCC1CCC1 34a_100015925927_100000763275 [0,1,0,1,0,0|1,0,1]=4 16136 B10R1.127 CC(O)CCCN1CCC1 269982a_100000754969_200000718107 [0,1,0,1,0,0|0,0,2]=4 16137 B10R1.127 CC(O)CCNC1CCC1 2230a_100000749019_100012276601 [0,1,0,1,0,0|0,0,2]=4 16138 B10R1.127 CC(O)CCNC1CCC1 270004a_200000755665_100000241760 [0,1,0,1,0,0|0,0,2]=4 16139 B10R1.127 CC(O)CCNC1CCC1 34a_100000749019_100012276601 [0,1,0,1,0,0|0,0,2]=4 16140 B10R1.127 CC(O)CCOC1CCC1 34a_100000748187_100012276601 [0,1,0,1,0,0|0,0,2]=4 16141 B10R1.127 CC(O)CCSC1CCC1 62a_100012276601_100000749161 [0,1,0,1,0,0|0,0,2]=4 16142 B10R1.127 CC(O)CNCC1CCC1 2230a_100000210904_100000763275 [0,1,0,1,0,0|0,0,2]=4 16143 B10R1.127 CC(O)CNCC1CCC1 2230a_100000738700_100011218427 [0,1,0,1,0,0|0,0,2]=4 16144 B10R1.127 CC(O)CNCC1CCC1 269862a_100000210904_100000753134 [0,1,0,1,0,0|0,0,2]=4 16145 B10R1.127 CC(O)CNCC1CCC1 34a_100000210904_100000763275 [0,1,0,1,0,0|0,0,2]=4 16146 B10R1.127 CC(O)CNCC1CCC1 34a_100000738700_100011218427 [0,1,0,1,0,0|0,0,2]=4 16147 B10R1.127 CC(O)COCC1CCC1 34a_100000760304_100011218427 [0,1,0,1,0,0|0,0,2]=4 16148 B10R1.127 CC(O)CSCC1CCC1 62a_100000763275_100011218427 [0,1,0,1,0,0|0,0,2]=4 16149 B10R1.127 CC(O)CSCC1CCC1 62a_100011218427_100000763275 [0,1,0,1,0,0|0,0,2]=4 16150 B10R1.127 CN(C)CCCN1CCC1 269982a_100000754969_100000757444 [0,1,0,1,0,0|2,0,0]=4 16151 B10R1.127 CN(C)CCNC1CCC1 270004a_100000210585_100000241760 [0,1,0,1,0,0|2,0,0]=4 16152 B10R1.127 C[C@@H](Cl)COCC1CCC1 34a_100016084084_100000763275 [0,1,0,1,0,0|1,0,1]=4 16153 B10R1.127 C[C@@H](N)CCOC1CCC1 34a_100000706166_100000749161 [0,1,0,1,0,0|1,0,1]=4 16154 B10R1.127 C[C@@H](N)COCC1CCC1 34a_100000737577_100000763275 [0,1,0,1,0,0|1,0,1]=4 16155 B10R1.127 C[C@@H](O)CNCC1CCC1 2230a_100000738700_100009817552 [0,1,0,1,0,0|0,0,2]=4 16156 B10R1.127 C[C@@H](O)CNCC1CCC1 34a_100000738700_100009817552 [0,1,0,1,0,0|0,0,2]=4 16157 B10R1.127 C[C@@H](O)COCC1CCC1 34a_100000760304_100009817552 [0,1,0,1,0,0|0,0,2]=4 16158 B10R1.127 C[C@@H](O)CSCC1CCC1 62a_100000763275_100009817552 [0,1,0,1,0,0|0,0,2]=4 16159 B10R1.127 C[C@@H](O)CSCC1CCC1 62a_100009817552_100000763275 [0,1,0,1,0,0|0,0,2]=4 16160 B10R1.127 NC(=O)CCCN1CCC1 269982a_100000754969_100102525003 [0,1,0,1,0,0|1,0,0]=3 16161 B10R1.127 NC(=O)CCNC1CCC1 2230a_100000749019_100000744528 [0,1,0,1,0,0|1,0,0]=3 16162 B10R1.127 NC(=O)CCNC1CCC1 34a_100000749019_100000731001 [0,1,0,1,0,0|1,0,0]=3 16163 B10R1.127 NC(=O)CCNC1COC1 2230a_100016991112_100000744528 [0,1,0,1,0,0|2,0,0]=4 16164 B10R1.127 NC(=O)CCOC1CCC1 34a_100000748187_100000731001 [0,1,0,1,0,0|1,0,0]=3 16165 B10R1.127 NC(=O)CCOC1CCC1 34a_100000757172_100000749161 [0,1,0,1,0,0|1,0,0]=3 16166 B10R1.127 NC(=O)CCOC1COC1 34a_100000757172_100009818527 [0,1,0,1,0,0|2,0,0]=4 16167 B10R1.127 NC(=O)CCOC1COC1 7a_100000757172_100009818527 [0,1,0,1,0,0|2,0,0]=4 16168 B10R1.127 NC(=O)CCOC1CSC1 7a_100000072292_100000744528 [0,1,0,1,0,0|2,0,0]=4 16169 B10R1.127 NC(=O)CCSC1CCC1 62a_100000744528_100000749161 [0,1,0,1,0,0|1,0,0]=3 16170 B10R1.127 NC(=O)CCSC1COC1 62a_100000744528_100009818527 [0,1,0,1,0,0|2,0,0]=4 16171 B10R1.127 NC(=O)CNCC1CCC1 2230a_100000711301_100000763275 [0,1,0,1,0,0|1,0,0]=3 16172 B10R1.127 NC(=O)CNCC1CCC1 2230a_100000738700_100000747473 [0,1,0,1,0,0|1,0,0]=3 16173 B10R1.127 NC(=O)CNCC1CCC1 34a_100000738700_100000187820 [0,1,0,1,0,0|1,0,0]=3 16174 B10R1.127 NC(=O)CNCC1CCO1 2230a_100000711301_100000103362 [0,1,0,1,0,0|2,0,0]=4 16175 B10R1.127 NC(=O)CNCC1COC1 2230a_100000711301_100010264016 [0,1,0,1,0,0|2,0,0]=4 16176 B10R1.127 NC(=O)CNCC1COC1 2230a_100015281925_100000747473 [0,1,0,1,0,0|2,0,0]=4 16177 B10R1.127 NC(=O)CNCC1COC1 34a_100015281925_100000187820 [0,1,0,1,0,0|2,0,0]=4 16178 B10R1.127 NC(=O)CNC[C@@H]1CCO1 2230a_100020831831_100000747473 [0,1,0,1,0,0|2,0,0]=4 16179 B10R1.127 NC(=O)CNC[C@@H]1CCO1 34a_100020831831_100000187820 [0,1,0,1,0,0|2,0,0]=4 16180 B10R1.127 NC(=O)COCC1CCC1 34a_100000760304_100000187820 [0,1,0,1,0,0|1,0,0]=3 16181 B10R1.127 NC(=O)COCC1CCO1 34a_100000039022_100000187820 [0,1,0,1,0,0|2,0,0]=4 16182 B10R1.127 NC(=O)COCC1CNC1 34a_100016987283_100000187820 [0,1,0,1,0,0|2,0,0]=4 16183 B10R1.127 NC(=O)COCC1COC1 34a_100000060846_100000187820 [0,1,0,1,0,0|2,0,0]=4 16184 B10R1.127 NC(=O)CSCC1CCC1 62a_100000747473_100000763275 [0,1,0,1,0,0|1,0,0]=3 16185 B10R1.127 NC(=O)CSCC1CCC1 62a_100000763275_100000747473 [0,1,0,1,0,0|1,0,0]=3 16186 B10R1.127 NC(=O)CSCC1CCO1 62a_100000103362_100000747473 [0,1,0,1,0,0|2,0,0]=4 16187 B10R1.127 NC(=O)CSCC1CCO1 62a_100000747473_100000103362 [0,1,0,1,0,0|2,0,0]=4 16188 B10R1.127 NC(=O)CSCC1COC1 62a_100000747473_100010264016 [0,1,0,1,0,0|2,0,0]=4 16189 B10R1.127 NC(=O)CSCC1COC1 62a_100010264016_100000747473 [0,1,0,1,0,0|2,0,0]=4 16190 B10R1.127 NC(=O)NCCN1CCC1 269982a_100000754969_200000034859 [0,1,0,1,0,0|2,0,0]=4 16191 B10R1.127 NC(=O)OCCN1CCC1 269982a_100000754969_200011214921 [0,1,0,1,0,0|2,0,0]=4 16192 B10R1.127 O=C(O)CNCC1CCC1 269956a_100016091260_100000763275 [0,1,0,1,0,0|1,0,0]=3 16193 B10R1.127 O=C(O)CNCC1CCO1 269956a_100016091260_100000103362 [0,1,0,1,0,0|2,0,0]=4 16194 B10R1.127 O=C(O)CNCC1COC1 269956a_100016091260_100010264016 [0,1,0,1,0,0|2,0,0]=4 16195 B10R1.127 O=C(O)CONC1CCC1 269956a_100000106656_100000749161 [0,1,0,1,0,0|2,0,0]=4 16196 B10R1.127 O=C([O-])CNCC1CCC1 34a_100000738700_100020667443 [0,1,0,1,0,0|1,0,0]=3 16197 B10R1.127 O=C([O-])CNCC1COC1 34a_100015281925_100020667443 [0,1,0,1,0,0|2,0,0]=4 16198 B10R1.127 O=C([O-])CNC[C@@H]1CCO1 34a_100020831831_100020667443 [0,1,0,1,0,0|2,0,0]=4 16199 B10R1.127 O=C([O-])COCC1CCC1 34a_100000760304_100020667443 [0,1,0,1,0,0|1,0,0]=3 16200 B10R1.127 O=C([O-])COCC1CCO1 34a_100000039022_100020667443 [0,1,0,1,0,0|2,0,0]=4 16201 B10R1.127 O=C([O-])COCC1CNC1 34a_100016987283_100020667443 [0,1,0,1,0,0|2,0,0]=4 16202 B10R1.127 O=C([O-])COCC1COC1 34a_100000060846_100020667443 [0,1,0,1,0,0|2,0,0]=4 16203 B10R1.127 O=C([O-])CSCC1CCC1 62a_100000763275_100020667443 [0,1,0,1,0,0|1,0,0]=3 16204 B10R1.127 O=C([O-])CSCC1CCC1 62a_100020667443_100000763275 [0,1,0,1,0,0|1,0,0]=3 16205 B10R1.127 O=C([O-])CSCC1CCO1 62a_100000103362_100020667443 [0,1,0,1,0,0|2,0,0]=4 16206 B10R1.127 O=C([O-])CSCC1CCO1 62a_100020667443_100000103362 [0,1,0,1,0,0|2,0,0]=4 16207 B10R1.127 O=C([O-])CSCC1COC1 62a_100010264016_100020667443 [0,1,0,1,0,0|2,0,0]=4 16208 B10R1.127 O=C([O-])CSCC1COC1 62a_100020667443_100010264016 [0,1,0,1,0,0|2,0,0]=4 16209 B10R1.127 O=[N+]([O-])CNCC1CCC1 34a_100000738700_100000761209 [0,1,0,1,0,0|2,0,0]=4 16210 B10R1.127 O=[N+]([O-])COCC1CCC1 34a_100000760304_100000761209 [0,1,0,1,0,0|2,0,0]=4 16211 B10R1.127 O=[N+]([O-])CSCC1CCC1 62a_100000763275_100000761209 [0,1,0,1,0,0|2,0,0]=4 16212 B10R1.150 C=C1CC(C1)NC(C)CC 2230a_100132301982_100000758301 [0,1,0,1,0,0|2,0,0]=4 16213 B10R1.150 CCC(=O)CC1CC(=O)C1 1458a_100000210414_100009874392 [0,1,0,1,0,0|0,0,1]=3 16214 B10R1.150 CCC(C)SC1CC(=O)C1 62a_100009894365_100000758301 [0,1,0,1,0,0|1,0,0]=3 16215 B10R1.150 CCN(C)CC1CC(=O)C1 2230a_100000225621_100009874392 [0,1,0,1,0,0|1,0,0]=3 16216 B10R1.150 CCN(C)CC1CC(=O)C1 269982a_100000225621_100009874392 [0,1,0,1,0,0|1,0,0]=3 16217 B10R1.150 COC(C)SC1CC(=O)C1 62a_100009894365_100009879195 [0,1,0,1,0,0|2,0,0]=4 16218 B10R1.150 C[C@H](CO)SC1CC(=O)C1 62a_100009894365_100016084084 [0,1,0,1,0,0|2,0,0]=4 16219 B10R1.150 O=C(CO)CC1CC(=O)C1 1458a_100000210174_100009874392 [0,1,0,1,0,0|1,0,1]=4 16220 B10R1.153 C#CC(=O)CCCC1CO1 1458a_100000211873_100000733510 [0,1,0,1,0,0|1,0,1]=4 16221 B10R1.153 C=CC(=O)CCCC1CO1 1458a_100000185746_100000733510 [0,1,0,1,0,0|1,0,1]=4 16222 B10R1.153 C=CC(=O)NCCC1CC1 1626a_100000764129_100000185746 [0,1,0,1,0,0|1,0,1]=4 16223 B10R1.153 C=CC(=O)NCCC1CC1 240690a_100000764129_200121576911 [0,1,0,1,0,0|1,0,1]=4 16224 B10R1.153 CCC(=O)CC#CC1CC1 1458a_100000210414_100009895102 [0,1,0,1,0,0|0,0,2]=4 16225 B10R1.153 CCC(=O)CCCC1CO1 1458a_100000210414_100000733510 [0,1,0,1,0,0|1,0,0]=3 16226 B10R1.153 CCC(=O)COCC1CC1 34a_100000725409_100000742324 [0,1,0,1,0,0|1,0,0]=3 16227 B10R1.153 CCC(=O)COCC1CO1 34a_100000725409_102125554688 [0,1,0,1,0,0|2,0,0]=4 16228 B10R1.153 CCC(=O)CSCC1CC1 1458a_200011316215_100000210202 [0,1,0,1,0,0|1,0,0]=3 16229 B10R1.153 CCC(=O)CSCC1CC1 62a_100000747405_100000742324 [0,1,0,1,0,0|1,0,0]=3 16230 B10R1.153 CCC(=O)CSCC1CC1 62a_100000756562_100000747405 [0,1,0,1,0,0|1,0,0]=3 16231 B10R1.153 CCC(=O)CSCC1CO1 62a_100000747405_102125554688 [0,1,0,1,0,0|2,0,0]=4 16232 B10R1.153 CCC(=O)CSCC1CO1 62a_102125554688_100000747405 [0,1,0,1,0,0|2,0,0]=4 16233 B10R1.153 CCC(=O)CSCC1CS1 62a_100000031435_100000747405 [0,1,0,1,0,0|2,0,0]=4 16234 B10R1.153 CCC(=O)CSCC1CS1 62a_100000747405_100000031435 [0,1,0,1,0,0|2,0,0]=4 16235 B10R1.153 CCC(=O)CSC[C@@H]1CO1 62a_100000745022_100000747405 [0,1,0,1,0,0|2,0,0]=4 16236 B10R1.153 CCC(=O)CSC[C@@H]1CO1 62a_100000747405_100000745022 [0,1,0,1,0,0|2,0,0]=4 16237 B10R1.153 CCC(=O)NCCC1CC1 1626a_100000764129_100000210414 [0,1,0,1,0,0|1,0,0]=3 16238 B10R1.153 CCC(=O)NCCC1CC1 240690a_100000764129_100000210414 [0,1,0,1,0,0|1,0,0]=3 16239 B10R1.153 CCC(=O)NCCC1CC1 527a_100000764129_100000210414 [0,1,0,1,0,0|1,0,0]=3 16240 B10R1.153 CCC(=O)NNCC1CC1 22a_100000736359_100000210414 [0,1,0,1,0,0|2,0,0]=4 16241 B10R1.153 CNC(=O)CCNC1CC1 34a_100000212008_100012179268 [0,1,0,1,0,0|1,0,0]=3 16242 B10R1.153 CNC(=O)CCNC1CC1 34a_100000738227_100000211595 [0,1,0,1,0,0|1,0,0]=3 16243 B10R1.153 CNC(=O)CCOC1CC1 34a_100000754576_100000211595 [0,1,0,1,0,0|1,0,0]=3 16244 B10R1.153 CNC(=O)CCSC1CC1 62a_100000737683_100000211595 [0,1,0,1,0,0|1,0,0]=3 16245 B10R1.153 CNC(=O)CNCC1CC1 2230a_100000693194_100000742324 [0,1,0,1,0,0|1,0,0]=3 16246 B10R1.153 CNC(=O)CNCC1CC1 2230a_100000735609_100000183359 [0,1,0,1,0,0|1,0,0]=3 16247 B10R1.153 CNC(=O)CNCC1CC1 269862a_100000693194_100000741477 [0,1,0,1,0,0|1,0,0]=3 16248 B10R1.153 CNC(=O)CNCC1CC1 34a_100000735609_100000183359 [0,1,0,1,0,0|1,0,0]=3 16249 B10R1.153 CNC(=O)CNCC1CO1 2230a_100000693194_100011216344 [0,1,0,1,0,0|2,0,0]=4 16250 B10R1.153 CNC(=O)COCC1CC1 34a_100000211283_100000183359 [0,1,0,1,0,0|1,0,0]=3 16251 B10R1.153 CNC(=O)COCC1CC1 34a_100000750040_100000742324 [0,1,0,1,0,0|1,0,0]=3 16252 B10R1.153 CNC(=O)COCC1CO1 34a_100000750040_102125554688 [0,1,0,1,0,0|2,0,0]=4 16253 B10R1.153 CNC(=O)COC[C@@H]1CO1 34a_100000757423_100000183359 [0,1,0,1,0,0|2,0,0]=4 16254 B10R1.153 CNC(=O)CSCC1CC1 11a_106832991635_200011316215 [0,1,0,1,0,0|1,0,0]=3 16255 B10R1.153 CNC(=O)CSCC1CC1 1626a_100102657272_200011316215 [0,1,0,1,0,0|1,0,0]=3 16256 B10R1.153 CNC(=O)CSCC1CC1 240690a_100102657272_200011316215 [0,1,0,1,0,0|1,0,0]=3 16257 B10R1.153 CNC(=O)CSCC1CC1 527a_100102657272_200011316215 [0,1,0,1,0,0|1,0,0]=3 16258 B10R1.153 CNC(=O)CSCC1CC1 62a_100000183359_100000742324 [0,1,0,1,0,0|1,0,0]=3 16259 B10R1.153 CNC(=O)CSCC1CC1 62a_100000756562_100000183359 [0,1,0,1,0,0|1,0,0]=3 16260 B10R1.153 CNC(=O)CSCC1CO1 62a_100000183359_102125554688 [0,1,0,1,0,0|2,0,0]=4 16261 B10R1.153 CNC(=O)CSCC1CO1 62a_102125554688_100000183359 [0,1,0,1,0,0|2,0,0]=4 16262 B10R1.153 CNC(=O)CSCC1CS1 62a_100000031435_100000183359 [0,1,0,1,0,0|2,0,0]=4 16263 B10R1.153 CNC(=O)CSCC1CS1 62a_100000183359_100000031435 [0,1,0,1,0,0|2,0,0]=4 16264 B10R1.153 CNC(=O)CSC[C@@H]1CO1 62a_100000183359_100000745022 [0,1,0,1,0,0|2,0,0]=4 16265 B10R1.153 CNC(=O)CSC[C@@H]1CO1 62a_100000745022_100000183359 [0,1,0,1,0,0|2,0,0]=4 16266 B10R1.153 CNC(=O)NCCC1CC1 2708a_100000764129_106832991635 [0,1,0,1,0,0|1,0,0]=3 16267 B10R1.153 CNC(=O)NCCC1CC1 2708a_100102657272_100000764129 [0,1,0,1,0,0|1,0,0]=3 16268 B10R1.153 CNC(=O)NCCC1CC1 273464a_100000764129_100102657272 [0,1,0,1,0,0|1,0,0]=3 16269 B10R1.153 CNC(=O)NCCC1CC1 273464a_100102657272_100000764129 [0,1,0,1,0,0|1,0,0]=3 16270 B10R1.153 CNC(=O)NCCC1CC1 512a_100000764129_100102657272 [0,1,0,1,0,0|1,0,0]=3 16271 B10R1.153 CNC(=O)NCCC1CC1 512a_106832991638_100000764129 [0,1,0,1,0,0|1,0,0]=3 16272 B10R1.153 CNC(=O)NNCC1CC1 273464a_100102657272_100000736359 [0,1,0,1,0,0|2,0,0]=4 16273 B10R1.153 CNC(=O)NNCC1CC1 512a_100000736359_100102657272 [0,1,0,1,0,0|2,0,0]=4 16274 B10R1.153 CNC(=O)NNCC1CC1 512a_106832991638_100000736359 [0,1,0,1,0,0|2,0,0]=4 16275 B10R1.153 COC(=O)CCNC1CC1 34a_100000212008_100000742370 [0,1,0,1,0,0|1,0,0]=3 16276 B10R1.153 COC(=O)CCSC1CC1 62a_100000204255_100000211595 [0,1,0,1,0,0|1,0,0]=3 16277 B10R1.153 COC(=O)CNCC1CC1 2230a_100000735609_100000747449 [0,1,0,1,0,0|1,0,0]=3 16278 B10R1.153 COC(=O)CNCC1CC1 34a_100000735609_100000747449 [0,1,0,1,0,0|1,0,0]=3 16279 B10R1.153 COC(=O)COCC1CC1 34a_100000211283_100000747449 [0,1,0,1,0,0|1,0,0]=3 16280 B10R1.153 COC(=O)COC[C@@H]1CO1 34a_100000757423_100000747449 [0,1,0,1,0,0|2,0,0]=4 16281 B10R1.153 COC(=O)CSCC1CC1 62a_100000747449_100000742324 [0,1,0,1,0,0|1,0,0]=3 16282 B10R1.153 COC(=O)CSCC1CC1 62a_100000756562_100000747449 [0,1,0,1,0,0|1,0,0]=3 16283 B10R1.153 COC(=O)CSCC1CO1 62a_100000747449_102125554688 [0,1,0,1,0,0|2,0,0]=4 16284 B10R1.153 COC(=O)CSCC1CO1 62a_102125554688_100000747449 [0,1,0,1,0,0|2,0,0]=4 16285 B10R1.153 COC(=O)CSCC1CS1 62a_100000031435_100000747449 [0,1,0,1,0,0|2,0,0]=4 16286 B10R1.153 COC(=O)CSCC1CS1 62a_100000747449_100000031435 [0,1,0,1,0,0|2,0,0]=4 16287 B10R1.153 COC(=O)CSC[C@@H]1CO1 62a_100000745022_100000747449 [0,1,0,1,0,0|2,0,0]=4 16288 B10R1.153 COC(=O)CSC[C@@H]1CO1 62a_100000747449_100000745022 [0,1,0,1,0,0|2,0,0]=4 16289 B10R1.153 O=C(CF)CSCC1CC1 1458a_200011316215_100015361967 [0,1,0,1,0,0|1,0,0]=3 16290 B10R1.153 O=C(CO)CC#CC1CC1 1458a_100000210174_100009895102 [0,1,0,1,0,0|0,0,2]=4 16291 B10R1.153 O=C(CO)CCCC1CO1 1458a_100000210174_100000733510 [0,1,0,1,0,0|1,0,0]=3 16292 B10R1.153 O=C(CO)NCCC1CC1 240690a_100000764129_100000210174 [0,1,0,1,0,0|1,0,0]=3 16293 B10R1.153 O=C(CO)NCCC1CC1 527a_100000764129_100000210174 [0,1,0,1,0,0|1,0,0]=3 16294 B10R1.153 O=C(CO)NNCC1CC1 22a_100000736359_100000210174 [0,1,0,1,0,0|2,0,0]=4 16295 B10R1.168 C=C(C)CN1CC(C1)CC 2230a_100015205115_100000748629 [0,1,0,1,0,0|2,0,0]=4 16296 B10R1.168 C=C(C)CN1CC(C1)CC 269982a_100015205115_100000748629 [0,1,0,1,0,0|2,0,0]=4 16297 B10R1.168 CC(=O)NC1CC(C1)CO 240690a_100000095622_100015343762 [0,1,0,1,0,0|2,0,0]=4 16298 B10R1.168 CC(=O)NC1CC(C1)CO 527a_100000095622_100103153847 [0,1,0,1,0,0|2,0,0]=4 16299 B10R1.168 CCC1CN(C1)CC(=O)N 2230a_100015205115_100000747473 [0,1,0,1,0,0|2,0,0]=4 16300 B10R1.168 CCC1CN(C1)CC(=O)N 269982a_100015205115_100000187820 [0,1,0,1,0,0|2,0,0]=4 16301 B10R1.168 CCC1CN(C1)CC(=O)[O-] 269982a_100015205115_100020667443 [0,1,0,1,0,0|2,0,0]=4 16302 B10R1.168 CCN1CC(C1)CC(=O)O 269956a_100016993960_100000210202 [0,1,0,1,0,0|2,0,0]=4 16303 B10R1.168 CCN1CC(C1)NC(=O)C 11a_200015199589_100015343762 [0,1,0,1,0,0|2,0,0]=4 16304 B10R1.168 CCN1CC(C1)NC(=O)C 1626a_200015199589_100015343762 [0,1,0,1,0,0|2,0,0]=4 16305 B10R1.168 CCN1CC(C1)NC(=O)C 240690a_200015199589_100015343762 [0,1,0,1,0,0|2,0,0]=4 16306 B10R1.168 CCN1CC(C1)OC(=O)C 269982a_100016994906_100000204670 [0,1,0,1,0,0|2,0,0]=4 16307 B10R1.168 CO[C@H]1C[C@@H](C1)NC(=O)C 11a_100121570643_100015343762 [0,1,0,1,0,0|2,0,0]=4 16308 B10R1.168 CO[C@H]1C[C@@H](C1)NC(=O)C 1626a_100121570643_100015343762 [0,1,0,1,0,0|2,0,0]=4 16309 B10R1.168 CO[C@H]1C[C@@H](C1)NC(=O)C 240690a_100121570643_100015343762 [0,1,0,1,0,0|2,0,0]=4 16310 B10R1.168 CO[C@H]1C[C@@H](C1)NC(=O)C 527a_100121570643_100103153847 [0,1,0,1,0,0|2,0,0]=4 16311 B10R1.194 CC(=O)[C@H]1CCC(=O)N1C 1458a_100010979499_200000210301 [0,1,0,1,0,0|1,0,1]=4 16312 B10R1.194 CN1C(=O)CC[C@@H]1C(=O)[13CH3] 1458a_100010979499_200025704644 [0,1,0,1,0,0|1,0,1]=4 16313 B10R1.197 CCC1CCCN(CC1)C 2230a_100000757272_200000210301 [0,1,0,1,0,0|2,0,0]=4 16314 B10R1.197 CCC1CCCN(CC1)C 269982a_100000757272_200000210301 [0,1,0,1,0,0|2,0,0]=4 16315 B10R1.197 CCC1CCCN(CC1)C 34a_100000757272_200000210301 [0,1,0,1,0,0|2,0,0]=4 16316 B10R1.197 CCC1CCCN(CC1)[13CH3] 2230a_100000757272_200025704644 [0,1,0,1,0,0|2,0,0]=4 16317 B10R1.197 CCC1CCCN(CC1)[13CH3] 269982a_100000757272_200025704644 [0,1,0,1,0,0|2,0,0]=4 16318 B10R1.197 CCC1CCCN(CC1)[13CH3] 34a_100000757272_200025704644 [0,1,0,1,0,0|2,0,0]=4 16319 B10R1.197 CCN1CCNC(=O)CC1 2230a_100000698595_100000210202 [0,1,0,1,0,0|2,0,0]=4 16320 B10R1.197 CCN1CCNC(=O)CC1 269982a_100000698595_100000204670 [0,1,0,1,0,0|2,0,0]=4 16321 B10R1.206 CNC(=O)CN[C@@H]1C[C@@H]1F 2230a_100015190264_100000183359 [0,1,0,1,0,0|2,0,0]=4 16322 B10R1.206 CNC(=O)CN[C@@H]1C[C@H]1F 2230a_100025746932_100000183359 [0,1,0,1,0,0|2,0,0]=4 16323 B10R1.206 CNC(=O)CN[C@@H]1C[C@H]1F 34a_100025746932_100000183359 [0,1,0,1,0,0|2,0,0]=4 16324 B10R1.206 COC(=O)CN[C@@H]1C[C@@H]1F 2230a_100015190264_100000747449 [0,1,0,1,0,0|2,0,0]=4 16325 B10R1.206 COC(=O)CN[C@@H]1C[C@H]1F 2230a_100025746932_100000747449 [0,1,0,1,0,0|2,0,0]=4 16326 B10R1.206 COC(=O)CN[C@@H]1C[C@H]1F 34a_100025746932_100000747449 [0,1,0,1,0,0|2,0,0]=4 16327 B10R1.277 CN1CCCN(C(=O)C1)C 2230a_100000709885_200000210301 [0,1,0,1,0,0|2,0,0]=4 16328 B10R1.277 CN1CCCN(C(=O)C1)C 269982a_100000709885_200000210301 [0,1,0,1,0,0|2,0,0]=4 16329 B10R1.277 CN1CCCN(C(=O)C1)C 34a_100000709885_200000210301 [0,1,0,1,0,0|2,0,0]=4 16330 B10R1.277 CN1CCCN(CC1=O)[13CH3] 2230a_100000709885_200025704644 [0,1,0,1,0,0|2,0,0]=4 16331 B10R1.277 CN1CCCN(CC1=O)[13CH3] 269982a_100000709885_200025704644 [0,1,0,1,0,0|2,0,0]=4 16332 B10R1.277 CN1CCCN(CC1=O)[13CH3] 34a_100000709885_200025704644 [0,1,0,1,0,0|2,0,0]=4 16333 B10R1.350 C=C(C)CCNC1(CC1)C 2230a_100000757604_100000730704 [0,1,0,1,0,0|2,0,0]=4 16334 B10R1.350 C=C(C)CCOC1(CC1)C 7a_100011725673_100000730704 [0,1,0,1,0,0|2,0,0]=4 16335 B10R1.350 C=C(C)CNCC1(CC1)C 2230a_100000766693_100000748629 [0,1,0,1,0,0|2,0,0]=4 16336 B10R1.350 C=C(C)CNCC1(CC1)O 2230a_100011936951_100000748629 [0,1,0,1,0,0|2,0,0]=4 16337 B10R1.350 C=C(C)COCC1(CC1)C 7a_100000698024_100000748629 [0,1,0,1,0,0|2,0,0]=4 16338 B10R1.350 C=C(C)COCC1(CC1)F 34a_200000703853_100000748629 [0,1,0,1,0,0|2,0,0]=4 16339 B10R1.350 C=C(C)COCC1(CC1)F 7a_200000703853_100000748629 [0,1,0,1,0,0|2,0,0]=4 16340 B10R1.350 CC(=O)CCOC1(CC1)C 7a_100011725673_100000053229 [0,1,0,1,0,0|1,0,0]=3 16341 B10R1.350 CC(=O)COCC1(CO1)C 34a_100000211253_100000760498 [0,1,0,1,0,0|2,0,0]=4 16342 B10R1.350 CC1(CC1)CNCC(=O)N 2230a_100000766693_100000747473 [0,1,0,1,0,0|2,0,0]=4 16343 B10R1.350 CC1(CC1)COCC(=O)N 7a_100000698024_100000187820 [0,1,0,1,0,0|2,0,0]=4 16344 B10R1.350 CC1(CC1)NCCC(=O)N 2230a_100000757604_100000744528 [0,1,0,1,0,0|2,0,0]=4 16345 B10R1.350 CC1(CC1)OCCC(=O)N 7a_100011725673_100000744528 [0,1,0,1,0,0|2,0,0]=4 16346 B10R1.350 NC(=O)CNCC1(CC1)O 2230a_100011936951_100000747473 [0,1,0,1,0,0|2,0,0]=4 16347 B10R1.350 NC(=O)COCC1(CC1)F 34a_200000703853_100000187820 [0,1,0,1,0,0|2,0,0]=4 16348 B10R1.350 NC(=O)COCC1(CC1)F 7a_200000703853_100000187820 [0,1,0,1,0,0|2,0,0]=4 16349 B10R1.350 O=C([O-])COCC1(CC1)F 34a_200000703853_100020667443 [0,1,0,1,0,0|2,0,0]=4 16350 B10R1.408 COC(=O)C1CC1C(=O)C 1458a_100000750770_200000210301 [0,1,0,1,0,0|1,0,1]=4 16351 B10R1.408 COC(=O)C1CC1C(=O)[13CH3] 1458a_100000750770_200025704644 [0,1,0,1,0,0|1,0,1]=4 16352 B10R1.485 CCC1(CCCN(C1)C)C 2230a_100000756310_200000210301 [0,1,0,1,0,0|2,0,0]=4 16353 B10R1.485 CCC1(CCCN(C1)C)C 269982a_100000756310_200000210301 [0,1,0,1,0,0|2,0,0]=4 16354 B10R1.485 CCC1(CCCN(C1)[13CH3])C 2230a_100000756310_200025704644 [0,1,0,1,0,0|2,0,0]=4 16355 B10R1.485 CCC1(CCCN(C1)[13CH3])C 269982a_100000756310_200025704644 [0,1,0,1,0,0|2,0,0]=4 16356 B10R1.10 CC1=CC(CCC1)OCF 34a_100011218613_100015361967 [0,1,0,1,0,0|2,0,0]=4 16357 B10R1.10 CCCN1CCC=C(C1)C 2230a_100000725631_100000210303 [0,1,0,1,0,0|1,0,1]=4 16358 B10R1.10 CCCN1CCC=C(C1)C 269982a_100000725631_100000210303 [0,1,0,1,0,0|1,0,1]=4 16359 B10R1.10 CCCN1CCC=C(C1)C 34a_100000725631_100000210303 [0,1,0,1,0,0|1,0,1]=4 16360 B10R1.10 CCCN1CCCC(C1)F 2230a_100000697950_100000210303 [0,1,0,1,0,0|1,0,1]=4 16361 B10R1.10 CCCN1CCCC(C1)F 269982a_100000697950_100000210303 [0,1,0,1,0,0|1,0,1]=4 16362 B10R1.10 CCCN1CCCC(C1)F 34a_100000697950_100000210303 [0,1,0,1,0,0|1,0,1]=4 16363 B10R1.10 CCCN1CCCC(C1)O 2230a_100000211013_100000210303 [0,1,0,1,0,0|0,0,2]=4 16364 B10R1.10 CCCN1CCCC(C1)O 269982a_100000211013_100000210303 [0,1,0,1,0,0|0,0,2]=4 16365 B10R1.10 CCCN1CCC[C@@H](C1)C 2230a_100000717927_100000210303 [0,1,0,1,0,0|1,0,1]=4 16366 B10R1.10 CCCN1CCC[C@@H](C1)C 269982a_100000717927_100000210303 [0,1,0,1,0,0|1,0,1]=4 16367 B10R1.10 CCCN1CCC[C@@H](C1)C 34a_100000717927_100000210303 [0,1,0,1,0,0|1,0,1]=4 16368 B10R1.10 CCCN1CCNC(=O)C1 2230a_100000184651_100000210303 [0,1,0,1,0,0|1,0,0]=3 16369 B10R1.10 CCCN1CCOC(=O)C1 2230a_100000131268_100000210303 [0,1,0,1,0,0|1,0,0]=3 16370 B10R1.10 CCNC1CCCC(C1)C 2230a_100011194320_100000210202 [0,1,0,1,0,0|1,0,1]=4 16371 B10R1.10 CCNC1CCCC(C1)C 270004a_100015525214_100000183594 [0,1,0,1,0,0|1,0,1]=4 16372 B10R1.10 CCNC1CCCC(C1)C 34a_100011194320_100000210202 [0,1,0,1,0,0|1,0,1]=4 16373 B10R1.10 CCNC1CCCC(C1)O 2230a_100015190357_100000210202 [0,1,0,1,0,0|0,0,2]=4 16374 B10R1.10 CCNC1CCCC(C1)O 270004a_100015525214_100012613340 [0,1,0,1,0,0|0,0,2]=4 16375 B10R1.10 CCNC1CCNC(=O)C1 2230a_100016994916_100000210202 [0,1,0,1,0,0|1,0,0]=3 16376 B10R1.10 CCNC1CCNC(=O)C1 34a_100016994916_100000210202 [0,1,0,1,0,0|1,0,0]=3 16377 B10R1.10 CCOC1C=C(CCC1)C 34a_100011218613_100000210202 [0,1,0,1,0,0|1,0,0]=3 16378 B10R1.10 CCOC1CCCC(=O)C1 34a_100012613340_100000210202 [0,1,0,1,0,0|0,0,0]=2 16379 B10R1.10 CCOC1CCCC(C1)C 34a_100000211399_100000210202 [0,1,0,1,0,0|1,0,1]=4 16380 B10R1.10 CCOC1CCCN(C1)C 2230a_100000745229_200000210301 [0,1,0,1,0,0|2,0,0]=4 16381 B10R1.10 CCOC1CCCN(C1)C 269982a_100000745229_200000210301 [0,1,0,1,0,0|2,0,0]=4 16382 B10R1.10 CCOC1CCCN(C1)C 34a_100000745229_200000210301 [0,1,0,1,0,0|2,0,0]=4 16383 B10R1.10 CCOC1CCCN(C1)[13CH3] 2230a_100000745229_200025704644 [0,1,0,1,0,0|2,0,0]=4 16384 B10R1.10 CCOC1CCCN(C1)[13CH3] 269982a_100000745229_200025704644 [0,1,0,1,0,0|2,0,0]=4 16385 B10R1.10 CCOC1CCCN(C1)[13CH3] 34a_100000745229_200025704644 [0,1,0,1,0,0|2,0,0]=4 16386 B10R1.10 CCO[C@@H]1CCNC(=O)C1 34a_100015189427_100000210202 [0,1,0,1,0,0|1,0,0]=3 16387 B10R1.10 CN1CCCC(C1)CCO 2230a_100000752241_200000210301 [0,1,0,1,0,0|2,0,0]=4 16388 B10R1.10 CN1CCCC(C1)CCO 269982a_100000752241_200000210301 [0,1,0,1,0,0|2,0,0]=4 16389 B10R1.10 CN1CCCC(C1)CCO 34a_100000752241_200000210301 [0,1,0,1,0,0|2,0,0]=4 16390 B10R1.10 CN1CCCC(C1)CS[13CH3] 62a_100000752043_200025704644 [0,1,0,1,0,0|2,0,0]=4 16391 B10R1.10 CN1CCCC(C1)CS[13CH3] 62a_200025704644_100000752043 [0,1,0,1,0,0|2,0,0]=4 16392 B10R1.10 CNCC1CCCC(C1)O 2230a_100011254705_200000210301 [0,1,0,1,0,0|0,0,2]=4 16393 B10R1.10 CNCC1CCCN(C1)C 34a_100102657272_100015183302 [0,1,0,1,0,0|2,0,0]=4 16394 B10R1.10 CNCC1CCCN(C1)C 7a_106832991635_100000752043 [0,1,0,1,0,0|2,0,0]=4 16395 B10R1.10 COCC1CCCC(=O)N1 34a_200000102386_200000210301 [0,1,0,1,0,0|1,0,0]=3 16396 B10R1.10 COCC1CCCN(C1)C 2230a_100000755410_200000210301 [0,1,0,1,0,0|2,0,0]=4 16397 B10R1.10 COCC1CCCN(C1)C 269982a_100000755410_200000210301 [0,1,0,1,0,0|2,0,0]=4 16398 B10R1.10 COCC1CCCN(C1)C 34a_100000755410_200000210301 [0,1,0,1,0,0|2,0,0]=4 16399 B10R1.10 COCC1CCCN(C1)C 34a_100138415774_100015183302 [0,1,0,1,0,0|2,0,0]=4 16400 B10R1.10 COCC1CCCN(C1)[13CH3] 2230a_100000755410_200025704644 [0,1,0,1,0,0|2,0,0]=4 16401 B10R1.10 COCC1CCCN(C1)[13CH3] 269982a_100000755410_200025704644 [0,1,0,1,0,0|2,0,0]=4 16402 B10R1.10 COCC1CCCN(C1)[13CH3] 34a_100000755410_200025704644 [0,1,0,1,0,0|2,0,0]=4 16403 B10R1.10 COCC1CCNC(=O)C1 34a_100009886756_200000210301 [0,1,0,1,0,0|1,0,0]=3 16404 B10R1.10 COCC1COCC(=O)N1 34a_200000101122_200000210301 [0,1,0,1,0,0|2,0,0]=4 16405 B10R1.10 COCN1CCNC(=O)C1 2230a_100000184651_100000766300 [0,1,0,1,0,0|2,0,0]=4 16406 B10R1.10 COCN1CCOC(=O)C1 2230a_100000131268_100000766300 [0,1,0,1,0,0|2,0,0]=4 16407 B10R1.10 CSCC1CCCN(C1)C 62a_100000752043_200000210301 [0,1,0,1,0,0|2,0,0]=4 16408 B10R1.10 CSCC1CCCN(C1)C 62a_200000210301_100000752043 [0,1,0,1,0,0|2,0,0]=4 16409 B10R1.10 CSCN1CCNC(=O)C1 2230a_100000184651_100011218213 [0,1,0,1,0,0|2,0,0]=4 16410 B10R1.10 CSCN1CCOC(=O)C1 2230a_100000131268_100011218213 [0,1,0,1,0,0|2,0,0]=4 16411 B10R1.10 O=C1CC(CCN1)NCF 34a_100016994916_100015361967 [0,1,0,1,0,0|2,0,0]=4 16412 B10R1.10 O=C1CCCC(C1)OCF 34a_100012613340_100015361967 [0,1,0,1,0,0|1,0,0]=3 16413 B10R1.10 O=C1CN(CCN1)CCF 2230a_100000184651_100011217306 [0,1,0,1,0,0|2,0,0]=4 16414 B10R1.10 O=C1CN(CCN1)CCO 2230a_100000184651_100000211926 [0,1,0,1,0,0|2,0,0]=4 16415 B10R1.10 O=C1CN(CCO1)CCF 2230a_100000131268_100011217306 [0,1,0,1,0,0|2,0,0]=4 16416 B10R1.10 O=C1CN(CCO1)CCO 2230a_100000131268_100000211926 [0,1,0,1,0,0|2,0,0]=4 16417 B10R1.10 O=C1C[C@@H](CCN1)OCF 34a_100015189427_100015361967 [0,1,0,1,0,0|2,0,0]=4 16418 B10R1.10 [13CH3]N1CCCC(C1)CCO 2230a_100000752241_200025704644 [0,1,0,1,0,0|2,0,0]=4 16419 B10R1.10 [13CH3]N1CCCC(C1)CCO 269982a_100000752241_200025704644 [0,1,0,1,0,0|2,0,0]=4 16420 B10R1.10 [13CH3]N1CCCC(C1)CCO 34a_100000752241_200025704644 [0,1,0,1,0,0|2,0,0]=4 16421 B10R1.10 [13CH3]NCC1CCCC(C1)O 2230a_100011254705_200025704644 [0,1,0,1,0,0|0,0,2]=4 16422 B10R1.10 [13CH3]OCC1CCCC(=O)N1 34a_200000102386_200025704644 [0,1,0,1,0,0|1,0,0]=3 16423 B10R1.10 [13CH3]OCC1CCNC(=O)C1 34a_100009886756_200025704644 [0,1,0,1,0,0|1,0,0]=3 16424 B10R1.10 [13CH3]OCC1COCC(=O)N1 34a_200000101122_200025704644 [0,1,0,1,0,0|2,0,0]=4 16425 B10R1.16 C#CCOC1CCC(=O)C1 34a_100012614533_100000184674 [0,1,0,1,0,0|0,0,2]=4 16426 B10R1.16 C=CCOC1CCC(=O)C1 34a_100012614533_100015514636 [0,1,0,1,0,0|0,0,2]=4 16427 B10R1.16 CCCCN1CCC(C1)O 2230a_100011215560_100000210211 [0,1,0,1,0,0|0,0,2]=4 16428 B10R1.16 CCCCN1CCC(C1)O 269982a_100011215560_100000210211 [0,1,0,1,0,0|0,0,2]=4 16429 B10R1.16 CCCCN1CC[C@@H](C1)F 2230a_100015203821_100000210211 [0,1,0,1,0,0|1,0,1]=4 16430 B10R1.16 CCCCN1CC[C@@H](C1)F 269982a_100015203821_100000210211 [0,1,0,1,0,0|1,0,1]=4 16431 B10R1.16 CCCCN1CC[C@@H](C1)F 34a_100015203821_100000210210 [0,1,0,1,0,0|1,0,1]=4 16432 B10R1.16 CCCCN1CC[C@H](C1)C 2230a_100016987628_100000210211 [0,1,0,1,0,0|1,0,1]=4 16433 B10R1.16 CCCCN1CC[C@H](C1)C 269982a_100016987628_100000210211 [0,1,0,1,0,0|1,0,1]=4 16434 B10R1.16 CCCCN1CC[C@H](C1)C 34a_100016987628_100000210210 [0,1,0,1,0,0|1,0,1]=4 16435 B10R1.16 CCCCN1CNC(=O)C1 2230a_200000708111_100000210211 [0,1,0,1,0,0|1,0,0]=3 16436 B10R1.16 CCCNC1CCC(C1)C 270004a_100020643023_100011215218 [0,1,0,1,0,0|1,0,1]=4 16437 B10R1.16 CCCNC1CCC(C1)O 270004a_100020643023_100012614533 [0,1,0,1,0,0|0,0,2]=4 16438 B10R1.16 CCCNC1CNC(=O)C1 2230a_100000697751_100000210303 [0,1,0,1,0,0|1,0,0]=3 16439 B10R1.16 CCCN[C@H]1CC[C@H](C1)O 2230a_100015195300_100000210303 [0,1,0,1,0,0|0,0,2]=4 16440 B10R1.16 CCCOC1CCC(=O)C1 34a_100012614533_100000210303 [0,1,0,1,0,0|0,0,0]=2 16441 B10R1.16 CCCOC1CCC(C1)C 34a_100000698185_100000210303 [0,1,0,1,0,0|1,0,1]=4 16442 B10R1.16 CCCOC1CNC(=O)C1 34a_100000690082_100000210303 [0,1,0,1,0,0|1,0,0]=3 16443 B10R1.16 CCCOC1COC(=O)O1 34a_100000210258_100000032252 [0,1,0,1,0,0|2,0,0]=4 16444 B10R1.16 CCCSC1CCN(C1)C 62a_100000210303_200012183744 [0,1,0,1,0,0|2,0,0]=4 16445 B10R1.16 CCCSC1COC(=O)O1 62a_100000210303_100000032252 [0,1,0,1,0,0|2,0,0]=4 16446 B10R1.16 CCNCC1CNC(=O)C1 2230a_100016993742_100000210202 [0,1,0,1,0,0|1,0,0]=3 16447 B10R1.16 CCNCC1CNC(=O)C1 34a_100016993742_100000210202 [0,1,0,1,0,0|1,0,0]=3 16448 B10R1.16 CCNCC1CNC(=O)O1 2230a_100015525214_100000181169 [0,1,0,1,0,0|2,0,0]=4 16449 B10R1.16 CCNC[C@@H]1CCC(=O)N1 2230a_100015525214_100015189358 [0,1,0,1,0,0|1,0,0]=3 16450 B10R1.16 CCNC[C@H]1CCC(=O)N1 2230a_100015423886_100000210202 [0,1,0,1,0,0|1,0,0]=3 16451 B10R1.16 CCNC[C@H]1CCC(=O)N1 34a_100015423886_100000210202 [0,1,0,1,0,0|1,0,0]=3 16452 B10R1.16 CCNC[C@H]1COC(=O)N1 2230a_100015525214_100015307671 [0,1,0,1,0,0|2,0,0]=4 16453 B10R1.16 CCOCC1CCC(=O)N1 34a_100000737831_100000210202 [0,1,0,1,0,0|1,0,0]=3 16454 B10R1.16 CCOCC1CCN(C1)C 34a_100121572206_200000690779 [0,1,0,1,0,0|2,0,0]=4 16455 B10R1.16 CCOCC1CNC(=O)C1 34a_100016041077_100000210202 [0,1,0,1,0,0|1,0,0]=3 16456 B10R1.16 CCOCC1CNC(=O)O1 34a_100011315639_100000210202 [0,1,0,1,0,0|2,0,0]=4 16457 B10R1.16 CCOCC1CNC(=O)O1 34a_100121572206_100000181169 [0,1,0,1,0,0|2,0,0]=4 16458 B10R1.16 CCOCC1COC(=O)O1 34a_100121572206_100000073702 [0,1,0,1,0,0|2,0,0]=4 16459 B10R1.16 CCOC[C@H]1COC(=O)N1 34a_100121572206_100015307671 [0,1,0,1,0,0|2,0,0]=4 16460 B10R1.16 CCSCC1CCN(C1)C 62a_100000210202_200000690779 [0,1,0,1,0,0|2,0,0]=4 16461 B10R1.16 CCSCC1CCN(C1)C 62a_200000690779_100000210202 [0,1,0,1,0,0|2,0,0]=4 16462 B10R1.16 CCSCC1CNC(=O)O1 62a_100000181169_100000210202 [0,1,0,1,0,0|2,0,0]=4 16463 B10R1.16 CCSCC1CNC(=O)O1 62a_100000210202_100000181169 [0,1,0,1,0,0|2,0,0]=4 16464 B10R1.16 CCSCC1COC(=O)O1 62a_100000073702_100000210202 [0,1,0,1,0,0|2,0,0]=4 16465 B10R1.16 CCSCC1COC(=O)O1 62a_100000210202_100000073702 [0,1,0,1,0,0|2,0,0]=4 16466 B10R1.16 CCSC[C@@H]1CCC(=O)N1 62a_100000210202_100015189358 [0,1,0,1,0,0|1,0,0]=3 16467 B10R1.16 CCSC[C@@H]1CCC(=O)N1 62a_100015189358_100000210202 [0,1,0,1,0,0|1,0,0]=3 16468 B10R1.16 CCSC[C@H]1COC(=O)N1 62a_100000210202_100015307671 [0,1,0,1,0,0|2,0,0]=4 16469 B10R1.16 CCSC[C@H]1COC(=O)N1 62a_100015307671_100000210202 [0,1,0,1,0,0|2,0,0]=4 16470 B10R1.16 COCCN1CNC(=O)C1 2230a_200000708111_100011201679 [0,1,0,1,0,0|2,0,0]=4 16471 B10R1.16 COCNC1CNC(=O)C1 2230a_100000697751_100000766300 [0,1,0,1,0,0|2,0,0]=4 16472 B10R1.16 CSCCN1CNC(=O)C1 2230a_200000708111_100000751147 [0,1,0,1,0,0|2,0,0]=4 16473 B10R1.16 CSCNC1CNC(=O)C1 2230a_100000697751_100011218213 [0,1,0,1,0,0|2,0,0]=4 16474 B10R1.16 CSCOC1CCC(=O)C1 34a_100012614533_100011218213 [0,1,0,1,0,0|1,0,0]=3 16475 B10R1.16 CSCOC1CNC(=O)C1 34a_100000690082_100011218213 [0,1,0,1,0,0|2,0,0]=4 16476 B10R1.16 O=C1CC(CN1)CNCF 34a_100016993742_100015361967 [0,1,0,1,0,0|2,0,0]=4 16477 B10R1.16 O=C1CC(CN1)COCF 34a_100016041077_100015361967 [0,1,0,1,0,0|2,0,0]=4 16478 B10R1.16 O=C1CC(CN1)NCCF 2230a_100000697751_100011217306 [0,1,0,1,0,0|2,0,0]=4 16479 B10R1.16 O=C1CC(CN1)NCCO 2230a_100000697751_100000211926 [0,1,0,1,0,0|2,0,0]=4 16480 B10R1.16 O=C1CC(CN1)OCCF 34a_100000690082_100011217306 [0,1,0,1,0,0|2,0,0]=4 16481 B10R1.16 O=C1CC(CN1)OCCO 34a_100000690082_100000211926 [0,1,0,1,0,0|2,0,0]=4 16482 B10R1.16 O=C1CCC(C1)OCCF 34a_100012614533_100011217306 [0,1,0,1,0,0|1,0,0]=3 16483 B10R1.16 O=C1CCC(C1)OCCO 34a_100012614533_100000211926 [0,1,0,1,0,0|1,0,0]=3 16484 B10R1.16 O=C1CCC(N1)COCF 34a_100000737831_100015361967 [0,1,0,1,0,0|2,0,0]=4 16485 B10R1.16 O=C1CC[C@@H](N1)CNCF 34a_100015423886_100015361967 [0,1,0,1,0,0|2,0,0]=4 16486 B10R1.16 O=C1CC[C@H](N1)CSCF 62a_100015189358_100015361967 [0,1,0,1,0,0|2,0,0]=4 16487 B10R1.16 O=C1CC[C@H](N1)CSCF 62a_100015361967_100015189358 [0,1,0,1,0,0|2,0,0]=4 16488 B10R1.16 O=C1CN(CN1)CCCF 2230a_200000708111_100011934791 [0,1,0,1,0,0|2,0,0]=4 16489 B10R1.16 O=C1CN(CN1)CCCO 2230a_200000708111_100000230001 [0,1,0,1,0,0|2,0,0]=4 16490 B10R1.16 O=CCOC1CCC(=O)C1 34a_100012614533_200009817547 [0,1,0,1,0,0|1,0,1]=4 16491 B10R1.18 C=C(C)CN1CCCOC1 2230a_100000131196_100000748629 [0,1,0,1,0,0|2,0,0]=4 16492 B10R1.18 C=C(C)CN1CCCOC1 269982a_100000131196_100000748629 [0,1,0,1,0,0|2,0,0]=4 16493 B10R1.18 C=C(C)CN1CCCOC1 34a_100000131196_100000748629 [0,1,0,1,0,0|2,0,0]=4 16494 B10R1.18 C=C(C)CN1CCOCC1 2230a_100015191051_100000748629 [0,1,0,1,0,0|2,0,0]=4 16495 B10R1.18 C=C(C)CN1CCOCC1 269982a_100015191051_100000748629 [0,1,0,1,0,0|2,0,0]=4 16496 B10R1.18 C=C(C)CN1CCOCC1 34a_100015191051_100000748629 [0,1,0,1,0,0|2,0,0]=4 16497 B10R1.18 C=C(C)CN1CCSCC1 2230a_100000737611_100000748629 [0,1,0,1,0,0|2,0,0]=4 16498 B10R1.18 C=C(C)CN1CCSCC1 269982a_100000737611_100000748629 [0,1,0,1,0,0|2,0,0]=4 16499 B10R1.18 CC(=O)C=C1CCCCC1 1458a_100000743792_200000210301 [0,1,0,1,0,0|0,0,1]=3 16500 B10R1.18 CC(=O)C=C1CCOCC1 1458a_100000761426_200000210301 [0,1,0,1,0,0|0,0,2]=4 16501 B10R1.18 CC(=O)CC1=CCCCC1 1458a_100000039269_200000210301 [0,1,0,1,0,0|0,0,1]=3 16502 B10R1.18 CC(=O)CC1CCCCC1 1458a_100000070787_100000211423 [0,1,0,1,0,0|0,0,0]=2 16503 B10R1.18 CC(=O)CC1CCCCC1 1458a_100000211666_200000210301 [0,1,0,1,0,0|0,0,0]=2 16504 B10R1.18 CC(=O)CC1CCCCO1 1458a_100000070787_100000211543 [0,1,0,1,0,0|0,0,0]=2 16505 B10R1.18 CC(=O)CC1CCCCO1 1458a_100000238585_200000210301 [0,1,0,1,0,0|0,0,0]=2 16506 B10R1.18 CC(=O)CC1CCCOC1 1458a_100000070787_100000741521 [0,1,0,1,0,0|0,0,0]=2 16507 B10R1.18 CC(=O)CC1CCCOC1 1458a_100000741523_200000210301 [0,1,0,1,0,0|0,0,0]=2 16508 B10R1.18 CC(=O)CC1CCOCC1 1458a_100000070787_100000754603 [0,1,0,1,0,0|0,0,0]=2 16509 B10R1.18 CC(=O)CC1CCOCC1 1458a_100000757261_200000210301 [0,1,0,1,0,0|0,0,0]=2 16510 B10R1.18 CC(=O)CN1CCCCC1 1458a_100000740322_200000210301 [0,1,0,1,0,0|0,0,0]=2 16511 B10R1.18 CC(=O)CN1CCOCC1 1458a_100000740321_200000210301 [0,1,0,1,0,0|1,0,0]=3 16512 B10R1.18 CC(=O)NC1CCCCC1 11a_100000182618_100015343762 [0,1,0,1,0,0|0,0,0]=2 16513 B10R1.18 CC(=O)NC1CCCCC1 1626a_100000182618_100015343762 [0,1,0,1,0,0|0,0,0]=2 16514 B10R1.18 CC(=O)NC1CCCCC1 240690a_100000182618_100015343762 [0,1,0,1,0,0|0,0,0]=2 16515 B10R1.18 CC(=O)NC1CCCCC1 527a_100000182618_100103153847 [0,1,0,1,0,0|0,0,0]=2 16516 B10R1.18 CC(=O)NC1CCCOC1 11a_100000719290_100015343762 [0,1,0,1,0,0|1,0,0]=3 16517 B10R1.18 CC(=O)NC1CCCOC1 1626a_100000719290_100015343762 [0,1,0,1,0,0|1,0,0]=3 16518 B10R1.18 CC(=O)NC1CCCOC1 240690a_100000719290_100015343762 [0,1,0,1,0,0|1,0,0]=3 16519 B10R1.18 CC(=O)NC1CCCOC1 527a_100000719290_100103153847 [0,1,0,1,0,0|1,0,0]=3 16520 B10R1.18 CC(=O)NC1CCOCC1 11a_100000741149_100015343762 [0,1,0,1,0,0|1,0,0]=3 16521 B10R1.18 CC(=O)NC1CCOCC1 1626a_100000741149_100015343762 [0,1,0,1,0,0|1,0,0]=3 16522 B10R1.18 CC(=O)NC1CCOCC1 240690a_100000741149_100015343762 [0,1,0,1,0,0|1,0,0]=3 16523 B10R1.18 CC(=O)NC1CCOCC1 527a_100000741149_100103153847 [0,1,0,1,0,0|1,0,0]=3 16524 B10R1.18 CC(=O)NC1CCSCC1 11a_100000748639_100015343762 [0,1,0,1,0,0|1,0,0]=3 16525 B10R1.18 CC(=O)NC1CCSCC1 1626a_100000748639_100015343762 [0,1,0,1,0,0|1,0,0]=3 16526 B10R1.18 CC(=O)NC1CCSCC1 240690a_100000748639_100015343762 [0,1,0,1,0,0|1,0,0]=3 16527 B10R1.18 CC(=O)NC1CCSCC1 527a_100000748639_100103153847 [0,1,0,1,0,0|1,0,0]=3 16528 B10R1.18 CC(C)NC1CCCCC1 2230a_100000182618_100000210206 [0,1,0,1,0,0|1,0,1]=4 16529 B10R1.18 CC(C)NC1CCCCC1 34a_100000182618_100000210206 [0,1,0,1,0,0|1,0,1]=4 16530 B10R1.18 CC(C)NC1CCCCC1 34a_100138425928_100000210327 [0,1,0,1,0,0|1,0,1]=4 16531 B10R1.18 CC(C)OC1CCCCC1 34a_100000210231_100000210206 [0,1,0,1,0,0|1,0,1]=4 16532 B10R1.18 CC(C)OC1CCCCC1 34a_100000212225_100000210327 [0,1,0,1,0,0|1,0,1]=4 16533 B10R1.18 CC(C)OC1CCCCC1 7a_100000210231_100000210206 [0,1,0,1,0,0|1,0,1]=4 16534 B10R1.18 CC(C)SC1CCCCC1 62a_100000210206_100000210327 [0,1,0,1,0,0|1,0,1]=4 16535 B10R1.18 CC(C)SC1CCCCC1 62a_100000210327_100000210206 [0,1,0,1,0,0|1,0,1]=4 16536 B10R1.18 CN(C)CC1CCCCC1 2230a_100000736448_200000210301 [0,1,0,1,0,0|2,0,0]=4 16537 B10R1.18 CN(C)CC1CCCCC1 2230a_100102631434_100000211423 [0,1,0,1,0,0|2,0,0]=4 16538 B10R1.18 CN(C)CC1CCCCC1 269982a_100000736448_200000210301 [0,1,0,1,0,0|2,0,0]=4 16539 B10R1.18 CN(C)CC1CCCCC1 269982a_100102631434_100000211423 [0,1,0,1,0,0|2,0,0]=4 16540 B10R1.18 CN(C)CC1CCCCC1 34a_100000736448_200000210301 [0,1,0,1,0,0|2,0,0]=4 16541 B10R1.18 CN(C)CC1CCCCO1 2230a_100000225654_200000210301 [0,1,0,1,0,0|2,0,0]=4 16542 B10R1.18 CN(C)CC1CCCCO1 2230a_100102631434_100000211543 [0,1,0,1,0,0|2,0,0]=4 16543 B10R1.18 CN(C)CC1CCCCO1 269982a_100000225654_200000210301 [0,1,0,1,0,0|2,0,0]=4 16544 B10R1.18 CN(C)CC1CCCCO1 269982a_100102631434_100000211543 [0,1,0,1,0,0|2,0,0]=4 16545 B10R1.18 CN(C)CC1CCCCO1 34a_100000225654_200000210301 [0,1,0,1,0,0|2,0,0]=4 16546 B10R1.18 CN(C)CC1CCCOC1 2230a_100102631434_100000741521 [0,1,0,1,0,0|2,0,0]=4 16547 B10R1.18 CN(C)CC1CCCOC1 269982a_100102631434_100000741521 [0,1,0,1,0,0|2,0,0]=4 16548 B10R1.18 CN(C)CC1CCOCC1 2230a_100025706683_200000210301 [0,1,0,1,0,0|2,0,0]=4 16549 B10R1.18 CN(C)CC1CCOCC1 2230a_100102631434_100000754603 [0,1,0,1,0,0|2,0,0]=4 16550 B10R1.18 CN(C)CC1CCOCC1 269982a_100025706683_200000210301 [0,1,0,1,0,0|2,0,0]=4 16551 B10R1.18 CN(C)CC1CCOCC1 269982a_100102631434_100000754603 [0,1,0,1,0,0|2,0,0]=4 16552 B10R1.18 CN(C)CC1CCOCC1 34a_100025706683_200000210301 [0,1,0,1,0,0|2,0,0]=4 16553 B10R1.18 CN(C)CC1CCSCC1 2230a_100011935259_200000210301 [0,1,0,1,0,0|2,0,0]=4 16554 B10R1.18 CN(C)CC1CCSCC1 269982a_100011935259_200000210301 [0,1,0,1,0,0|2,0,0]=4 16555 B10R1.18 CN(C)CC1CCSCC1 270004a_100102631434_100000067145 [0,1,0,1,0,0|2,0,0]=4 16556 B10R1.18 CN(C)CC1CCSCC1 34a_100011935259_200000210301 [0,1,0,1,0,0|2,0,0]=4 16557 B10R1.18 CN([13CH3])CC1CCCCC1 2230a_100000736448_200025704644 [0,1,0,1,0,0|2,0,0]=4 16558 B10R1.18 CN([13CH3])CC1CCCCC1 269982a_100000736448_200025704644 [0,1,0,1,0,0|2,0,0]=4 16559 B10R1.18 CN([13CH3])CC1CCCCC1 34a_100000736448_200025704644 [0,1,0,1,0,0|2,0,0]=4 16560 B10R1.18 CN([13CH3])CC1CCCCO1 2230a_100000225654_200025704644 [0,1,0,1,0,0|2,0,0]=4 16561 B10R1.18 CN([13CH3])CC1CCCCO1 269982a_100000225654_200025704644 [0,1,0,1,0,0|2,0,0]=4 16562 B10R1.18 CN([13CH3])CC1CCCCO1 34a_100000225654_200025704644 [0,1,0,1,0,0|2,0,0]=4 16563 B10R1.18 CN([13CH3])CC1CCOCC1 2230a_100025706683_200025704644 [0,1,0,1,0,0|2,0,0]=4 16564 B10R1.18 CN([13CH3])CC1CCOCC1 269982a_100025706683_200025704644 [0,1,0,1,0,0|2,0,0]=4 16565 B10R1.18 CN([13CH3])CC1CCOCC1 34a_100025706683_200025704644 [0,1,0,1,0,0|2,0,0]=4 16566 B10R1.18 CN([13CH3])CC1CCSCC1 2230a_100011935259_200025704644 [0,1,0,1,0,0|2,0,0]=4 16567 B10R1.18 CN([13CH3])CC1CCSCC1 269982a_100011935259_200025704644 [0,1,0,1,0,0|2,0,0]=4 16568 B10R1.18 CN([13CH3])CC1CCSCC1 34a_100011935259_200025704644 [0,1,0,1,0,0|2,0,0]=4 16569 B10R1.18 NC(=O)CN1CCCOC1 2230a_100000131196_100000747473 [0,1,0,1,0,0|2,0,0]=4 16570 B10R1.18 NC(=O)CN1CCCOC1 269982a_100000131196_100000187820 [0,1,0,1,0,0|2,0,0]=4 16571 B10R1.18 NC(=O)CN1CCCOC1 34a_100000131196_100000187820 [0,1,0,1,0,0|2,0,0]=4 16572 B10R1.18 NC(=O)CN1CCOCC1 2230a_100015191051_100000747473 [0,1,0,1,0,0|2,0,0]=4 16573 B10R1.18 NC(=O)CN1CCOCC1 269982a_100015191051_100000187820 [0,1,0,1,0,0|2,0,0]=4 16574 B10R1.18 NC(=O)CN1CCOCC1 34a_100015191051_100000187820 [0,1,0,1,0,0|2,0,0]=4 16575 B10R1.18 NC(=O)CN1CCSCC1 2230a_100000737611_100000747473 [0,1,0,1,0,0|2,0,0]=4 16576 B10R1.18 NC(=O)CN1CCSCC1 269982a_100000737611_100000187820 [0,1,0,1,0,0|2,0,0]=4 16577 B10R1.18 O=C([O-])CN1CCCOC1 269982a_100000131196_100020667443 [0,1,0,1,0,0|2,0,0]=4 16578 B10R1.18 O=C([O-])CN1CCCOC1 34a_100000131196_100020667443 [0,1,0,1,0,0|2,0,0]=4 16579 B10R1.18 O=C([O-])CN1CCOCC1 269982a_100015191051_100020667443 [0,1,0,1,0,0|2,0,0]=4 16580 B10R1.18 O=C([O-])CN1CCOCC1 34a_100015191051_100020667443 [0,1,0,1,0,0|2,0,0]=4 16581 B10R1.18 O=C([O-])CN1CCSCC1 269982a_100000737611_100020667443 [0,1,0,1,0,0|2,0,0]=4 16582 B10R1.18 [13CH3]C(=O)C=C1CCCCC1 1458a_100000743792_200025704644 [0,1,0,1,0,0|0,0,1]=3 16583 B10R1.18 [13CH3]C(=O)C=C1CCOCC1 1458a_100000761426_200025704644 [0,1,0,1,0,0|0,0,2]=4 16584 B10R1.18 [13CH3]C(=O)CC1=CCCCC1 1458a_100000039269_200025704644 [0,1,0,1,0,0|0,0,1]=3 16585 B10R1.18 [13CH3]C(=O)CC1CCCCC1 1458a_100000211666_200025704644 [0,1,0,1,0,0|0,0,0]=2 16586 B10R1.18 [13CH3]C(=O)CC1CCCCO1 1458a_100000238585_200025704644 [0,1,0,1,0,0|0,0,0]=2 16587 B10R1.18 [13CH3]C(=O)CC1CCCOC1 1458a_100000741523_200025704644 [0,1,0,1,0,0|0,0,0]=2 16588 B10R1.18 [13CH3]C(=O)CC1CCOCC1 1458a_100000757261_200025704644 [0,1,0,1,0,0|0,0,0]=2 16589 B10R1.18 [13CH3]C(=O)CN1CCCCC1 1458a_100000740322_200025704644 [0,1,0,1,0,0|0,0,0]=2 16590 B10R1.18 [13CH3]C(=O)CN1CCOCC1 1458a_100000740321_200025704644 [0,1,0,1,0,0|1,0,0]=3 16591 B10R1.24 C#CCCSC1CC(=O)C1 62a_100009894365_100000688953 [0,1,0,1,0,0|0,0,2]=4 16592 B10R1.24 C#CCOCC1CC(=O)C1 34a_100000101936_100000184674 [0,1,0,1,0,0|0,0,2]=4 16593 B10R1.24 C#CCSCC1CC(=O)C1 62a_100000038162_100009874392 [0,1,0,1,0,0|0,0,2]=4 16594 B10R1.24 C/C=C/CSC1CC(=O)C1 62a_100009894365_100102629194 [0,1,0,1,0,0|0,0,2]=4 16595 B10R1.24 C=C1CC(C1)CNCCC 2230a_100102567296_100000210303 [0,1,0,1,0,0|1,0,0]=3 16596 B10R1.24 C=C1CC(C1)CNCCC 34a_100102567296_100000210303 [0,1,0,1,0,0|1,0,0]=3 16597 B10R1.24 C=C1CC(C1)CNCCF 2230a_100102567296_100011217306 [0,1,0,1,0,0|2,0,0]=4 16598 B10R1.24 C=C1CC(C1)CNCCF 34a_100102567296_100011217306 [0,1,0,1,0,0|2,0,0]=4 16599 B10R1.24 C=C1CC(C1)CNCCO 2230a_100102567296_100000211926 [0,1,0,1,0,0|2,0,0]=4 16600 B10R1.24 C=C1CC(C1)CNCCO 34a_100102567296_100000211926 [0,1,0,1,0,0|2,0,0]=4 16601 B10R1.24 C=C1CC(C1)CNCOC 2230a_100102567296_100000766300 [0,1,0,1,0,0|2,0,0]=4 16602 B10R1.24 C=C1CC(C1)CNCSC 2230a_100102567296_100011218213 [0,1,0,1,0,0|2,0,0]=4 16603 B10R1.24 C=C1CC(C1)CNCSC 34a_100102567296_100011218213 [0,1,0,1,0,0|2,0,0]=4 16604 B10R1.24 C=C1CC(C1)COCCC 34a_100011011225_100000210303 [0,1,0,1,0,0|1,0,0]=3 16605 B10R1.24 C=C1CC(C1)COCCF 34a_100011011225_100011217306 [0,1,0,1,0,0|2,0,0]=4 16606 B10R1.24 C=C1CC(C1)COCCO 34a_100011011225_100000211926 [0,1,0,1,0,0|2,0,0]=4 16607 B10R1.24 C=C1CC(C1)COCSC 34a_100011011225_100011218213 [0,1,0,1,0,0|2,0,0]=4 16608 B10R1.24 C=C1CC(C1)NCCCC 2230a_100132301982_100000210211 [0,1,0,1,0,0|1,0,0]=3 16609 B10R1.24 C=C1CC(C1)NCCCF 2230a_100132301982_100011934791 [0,1,0,1,0,0|2,0,0]=4 16610 B10R1.24 C=C1CC(C1)NCCCO 2230a_100132301982_100000230001 [0,1,0,1,0,0|2,0,0]=4 16611 B10R1.24 C=C1CC(C1)NCCOC 2230a_100132301982_100011201679 [0,1,0,1,0,0|2,0,0]=4 16612 B10R1.24 C=C1CC(C1)NCCSC 2230a_100132301982_100000751147 [0,1,0,1,0,0|2,0,0]=4 16613 B10R1.24 C=CCCSC1CC(=O)C1 62a_100009894365_100000754431 [0,1,0,1,0,0|0,0,2]=4 16614 B10R1.24 C=CCNCC1CC(=O)C1 2230a_100020586998_100009874392 [0,1,0,1,0,0|0,0,2]=4 16615 B10R1.24 C=CCOCC1CC(=O)C1 34a_100000101936_100015514636 [0,1,0,1,0,0|0,0,2]=4 16616 B10R1.24 C=CCSCC1CC(=O)C1 62a_100000210623_100009874392 [0,1,0,1,0,0|0,0,2]=4 16617 B10R1.24 C=CCSCC1CC(=O)C1 62a_100009874392_100000210623 [0,1,0,1,0,0|0,0,2]=4 16618 B10R1.24 CC#CCSC1CC(=O)C1 62a_100009894365_100000748600 [0,1,0,1,0,0|0,0,2]=4 16619 B10R1.24 CC=CCSC1CC(=O)C1 62a_100009894365_100000070051 [0,1,0,1,0,0|0,0,2]=4 16620 B10R1.24 CCCCCN1CC(C1)C 2230a_100000702820_100000210326 [0,1,0,1,0,0|1,0,1]=4 16621 B10R1.24 CCCCCN1CC(C1)C 269982a_100000702820_100000210215 [0,1,0,1,0,0|1,0,1]=4 16622 B10R1.24 CCCCCN1CC(C1)C 34a_100000702820_100000718602 [0,1,0,1,0,0|1,0,1]=4 16623 B10R1.24 CCCCCN1CC(C1)F 2230a_100000690557_100000210326 [0,1,0,1,0,0|1,0,1]=4 16624 B10R1.24 CCCCCN1CC(C1)F 269982a_100000690557_100000210215 [0,1,0,1,0,0|1,0,1]=4 16625 B10R1.24 CCCCCN1CC(C1)F 34a_100000690557_100000718602 [0,1,0,1,0,0|1,0,1]=4 16626 B10R1.24 CCCCCN1CC(C1)O 269982a_100000749847_100000210215 [0,1,0,1,0,0|0,0,2]=4 16627 B10R1.24 CCCCNC1CC(C1)F 2230a_100016993743_100000210211 [0,1,0,1,0,0|1,0,1]=4 16628 B10R1.24 CCCCN[C@H]1C[C@@H](C1)O 2230a_100020629032_100000210211 [0,1,0,1,0,0|0,0,2]=4 16629 B10R1.24 CCCCSC1CC(=O)C1 62a_100009894365_100000210210 [0,1,0,1,0,0|0,0,0]=2 16630 B10R1.24 CCCNCC1CC(C1)O 2230a_100016992100_100000210303 [0,1,0,1,0,0|0,0,2]=4 16631 B10R1.24 CCCOCC1CC(=O)C1 34a_100000101936_100000210303 [0,1,0,1,0,0|0,0,0]=2 16632 B10R1.24 CCCOCC1CC(C1)Cl 34a_100009874164_100000210303 [0,1,0,1,0,0|1,0,1]=4 16633 B10R1.24 CCCSCC1CC(=O)C1 62a_100000210303_100009874392 [0,1,0,1,0,0|0,0,0]=2 16634 B10R1.24 CCCSCC1CC(=O)C1 62a_100009874392_100000210303 [0,1,0,1,0,0|0,0,0]=2 16635 B10R1.24 CCOCSC1CC(=O)C1 62a_100009894365_100000739092 [0,1,0,1,0,0|1,0,0]=3 16636 B10R1.24 COCCSC1CC(=O)C1 62a_100009894365_100000233755 [0,1,0,1,0,0|1,0,0]=3 16637 B10R1.24 COCSCC1CC(=O)C1 62a_100000766300_100009874392 [0,1,0,1,0,0|1,0,0]=3 16638 B10R1.24 COCSCC1CC(=O)C1 62a_100009874392_100000766300 [0,1,0,1,0,0|1,0,0]=3 16639 B10R1.24 CSCCSC1CC(=O)C1 62a_100009894365_100000751147 [0,1,0,1,0,0|1,0,0]=3 16640 B10R1.24 CSCOCC1CC(=O)C1 34a_100000101936_100011218213 [0,1,0,1,0,0|1,0,0]=3 16641 B10R1.24 CSCSCC1CC(=O)C1 62a_100009874392_100011218213 [0,1,0,1,0,0|1,0,0]=3 16642 B10R1.24 CSCSCC1CC(=O)C1 62a_100011218213_100009874392 [0,1,0,1,0,0|1,0,0]=3 16643 B10R1.24 N#CCCSC1CC(=O)C1 62a_100009894365_100011215226 [0,1,0,1,0,0|1,0,1]=4 16644 B10R1.24 N#CCSCC1CC(=O)C1 62a_100009874392_100011215382 [0,1,0,1,0,0|1,0,1]=4 16645 B10R1.24 N#CCSCC1CC(=O)C1 62a_100011215382_100009874392 [0,1,0,1,0,0|1,0,1]=4 16646 B10R1.24 O=C1CC(C1)CNCCO 2230a_100016997473_100009874392 [0,1,0,1,0,0|1,0,0]=3 16647 B10R1.24 O=C1CC(C1)COCCF 34a_100000101936_100011217306 [0,1,0,1,0,0|1,0,0]=3 16648 B10R1.24 O=C1CC(C1)COCCO 34a_100000101936_100000211926 [0,1,0,1,0,0|1,0,0]=3 16649 B10R1.24 O=C1CC(C1)CSCCF 62a_100009874392_100011217306 [0,1,0,1,0,0|1,0,0]=3 16650 B10R1.24 O=C1CC(C1)CSCCF 62a_100011217306_100009874392 [0,1,0,1,0,0|1,0,0]=3 16651 B10R1.24 O=C1CC(C1)CSCCO 62a_100000211926_100009874392 [0,1,0,1,0,0|1,0,0]=3 16652 B10R1.24 O=C1CC(C1)CSCCO 62a_100009874392_100000211926 [0,1,0,1,0,0|1,0,0]=3 16653 B10R1.24 O=C1CC(C1)SCCCF 62a_100009894365_100011934791 [0,1,0,1,0,0|1,0,0]=3 16654 B10R1.24 O=C1CC(C1)SCCCO 62a_100009894365_100011215043 [0,1,0,1,0,0|1,0,0]=3 16655 B10R1.24 O=CCOCC1CC(=O)C1 34a_100000101936_200009817547 [0,1,0,1,0,0|1,0,1]=4 16656 B10R1.24 O=CCSCC1CC(=O)C1 62a_100009874392_200015260668 [0,1,0,1,0,0|1,0,1]=4 16657 B10R1.24 O=CCSCC1CC(=O)C1 62a_200015260668_100009874392 [0,1,0,1,0,0|1,0,1]=4 16658 B10R1.38 CNC1CCCCC1(C)C 269862a_106832991636_100000031690 [0,1,0,1,0,0|1,0,1]=4 16659 B10R1.39 CC(=O)N1CCCC1C#N 11a_100000701862_100015343762 [0,1,0,1,0,0|1,0,1]=4 16660 B10R1.39 CC(=O)N1CCCC1C#N 1626a_100000701862_100015343762 [0,1,0,1,0,0|1,0,1]=4 16661 B10R1.39 CC(=O)N1CCCC1C#N 240690a_100000701862_100015343762 [0,1,0,1,0,0|1,0,1]=4 16662 B10R1.39 CC(=O)N1CCCC1C#N 527a_100000701862_100103153847 [0,1,0,1,0,0|1,0,1]=4 16663 B10R1.39 CC(=O)N1CCC[C@@H]1C#N 240690a_106645074975_100015343762 [0,1,0,1,0,0|1,0,1]=4 16664 B10R1.39 CC(=O)N1CCC[C@@H]1C#N 527a_106645074975_100103153847 [0,1,0,1,0,0|1,0,1]=4 16665 B10R1.39 CC(=O)N1CCC[C@@H]1CO 240690a_100000745186_100015343762 [0,1,0,1,0,0|1,0,0]=3 16666 B10R1.39 CC(=O)N1CCC[C@@H]1CO 527a_100000745186_100103153847 [0,1,0,1,0,0|1,0,0]=3 16667 B10R1.39 CCC1C=CCN1C(=O)C 11a_100000730860_100015343762 [0,1,0,1,0,0|0,0,2]=4 16668 B10R1.39 CCC1C=CCN1C(=O)C 1626a_100000730860_100015343762 [0,1,0,1,0,0|0,0,2]=4 16669 B10R1.39 CCC1C=CCN1C(=O)C 240690a_100000730860_100015343762 [0,1,0,1,0,0|0,0,2]=4 16670 B10R1.39 CCC1C=CCN1C(=O)C 527a_100000730860_100103153847 [0,1,0,1,0,0|0,0,2]=4 16671 B10R1.39 CCC1CCCC1N(C)C 270004a_100102631434_100000749056 [0,1,0,1,0,0|2,0,0]=4 16672 B10R1.39 CCC1CCCN1C(=O)C 11a_100000754278_100015343762 [0,1,0,1,0,0|0,0,0]=2 16673 B10R1.39 CCC1CCCN1C(=O)C 1626a_100000754278_100015343762 [0,1,0,1,0,0|0,0,0]=2 16674 B10R1.39 CCC1CCCN1C(=O)C 240690a_100000754278_100015343762 [0,1,0,1,0,0|0,0,0]=2 16675 B10R1.39 CCC1CCCN1C(=O)C 527a_100000754278_100103153847 [0,1,0,1,0,0|0,0,0]=2 16676 B10R1.39 CCC1CCCN1C(C)C 2230a_100000754278_100000210206 [0,1,0,1,0,0|1,0,1]=4 16677 B10R1.39 CCC1CCCN1C(C)C 269982a_100000754278_100000210206 [0,1,0,1,0,0|1,0,1]=4 16678 B10R1.39 CCC1CCCN1C(C)C 34a_100000754278_100000210206 [0,1,0,1,0,0|1,0,1]=4 16679 B10R1.39 CCN1CCCC1C(=O)C 1458a_106256033941_200000210301 [0,1,0,1,0,0|0,0,0]=2 16680 B10R1.39 CCN1CCCC1C(=O)[13CH3] 1458a_106256033941_200025704644 [0,1,0,1,0,0|0,0,0]=2 16681 B10R1.39 CCN1CCCC1C(C)C 2230a_100000762757_100000210202 [0,1,0,1,0,0|1,0,1]=4 16682 B10R1.39 CCN1CCCC1C(C)C 269982a_100000762757_100000204670 [0,1,0,1,0,0|1,0,1]=4 16683 B10R1.39 CCN1CCCC1C(C)C 34a_100000762757_100000210202 [0,1,0,1,0,0|1,0,1]=4 16684 B10R1.39 CCN1CCC[C@H]1C(=O)N 2230a_100000003125_100000210202 [0,1,0,1,0,0|1,0,0]=3 16685 B10R1.39 CCN1CCC[C@H]1C(=O)O 269956a_100000743916_100000210202 [0,1,0,1,0,0|1,0,0]=3 16686 B10R1.39 CCN1CCSC1C(=O)O 269956a_100000035718_100000210202 [0,1,0,1,0,0|2,0,0]=4 16687 B10R1.39 CCN1CSC[C@H]1C(=O)O 269956a_100000743924_100000210202 [0,1,0,1,0,0|2,0,0]=4 16688 B10R1.39 O=C(O)[C@@H]1CCCN1CF 269956a_100000743916_100015361967 [0,1,0,1,0,0|2,0,0]=4 16689 B10R1.56 CCCCCN[C@@H]1C[C@@H]1F 2230a_100015190264_100000210326 [0,1,0,1,0,0|1,0,1]=4 16690 B10R1.56 CCCCCN[C@@H]1C[C@H]1F 2230a_100025746932_100000210326 [0,1,0,1,0,0|1,0,1]=4 16691 B10R1.56 CCCCCN[C@@H]1C[C@H]1F 34a_100025746932_100000718602 [0,1,0,1,0,0|1,0,1]=4 16692 B10R1.56 CCCCOCC1CC1C 34a_100000744939_100000210210 [0,1,0,1,0,0|1,0,1]=4 16693 B10R1.56 CCCCOCC1CC1C 7a_100000744939_100000210211 [0,1,0,1,0,0|1,0,1]=4 16694 B10R1.61 CC(=O)C1CCCCC1=O 1458a_100000070787_100000204591 [0,1,0,1,0,0|0,0,1]=3 16695 B10R1.61 CC(=O)C1CCCCC1C 1458a_100011215568_200000210301 [0,1,0,1,0,0|0,0,0]=2 16696 B10R1.61 CC(=O)C1CCCCC1O 1458a_100011803323_200000210301 [0,1,0,1,0,0|0,0,0]=2 16697 B10R1.61 CC(=O)C1CCCNC1=O 1458a_100000070787_100000687798 [0,1,0,1,0,0|1,0,1]=4 16698 B10R1.61 CC(=O)C1CCCNC1=O 1458a_100000087122_200000210301 [0,1,0,1,0,0|1,0,1]=4 16699 B10R1.61 CC(=O)C1COCCC1=O 1458a_100000070787_100012180262 [0,1,0,1,0,0|1,0,1]=4 16700 B10R1.61 CC(=O)N1CCCCC1C 11a_100000211376_100015343762 [0,1,0,1,0,0|0,0,0]=2 16701 B10R1.61 CC(=O)N1CCCCC1C 1626a_100000211376_100015343762 [0,1,0,1,0,0|0,0,0]=2 16702 B10R1.61 CC(=O)N1CCCCC1C 240690a_100000211376_100015343762 [0,1,0,1,0,0|0,0,0]=2 16703 B10R1.61 CC(=O)N1CCCCC1C 527a_100000211376_100103153847 [0,1,0,1,0,0|0,0,0]=2 16704 B10R1.61 CC(=O)N1CCOC[C@@H]1C 11a_100009815349_100015343762 [0,1,0,1,0,0|1,0,0]=3 16705 B10R1.61 CC(=O)N1CCOC[C@@H]1C 240690a_100009815349_100015343762 [0,1,0,1,0,0|1,0,0]=3 16706 B10R1.61 CC(=O)N1CCOC[C@@H]1C 527a_100009815349_100103153847 [0,1,0,1,0,0|1,0,0]=3 16707 B10R1.61 CC(=O)[C@H]1CCCCN1C 1458a_100000767060_200000210301 [0,1,0,1,0,0|0,0,0]=2 16708 B10R1.61 CC(C)C1CCCCN1C 2230a_100000757267_200000210301 [0,1,0,1,0,0|1,0,1]=4 16709 B10R1.61 CC(C)C1CCCCN1C 269982a_100000757267_200000210301 [0,1,0,1,0,0|1,0,1]=4 16710 B10R1.61 CC(C)C1CCCCN1C 34a_100000757267_200000210301 [0,1,0,1,0,0|1,0,1]=4 16711 B10R1.61 CC(C)C1CCCCN1[13CH3] 2230a_100000757267_200025704644 [0,1,0,1,0,0|1,0,1]=4 16712 B10R1.61 CC(C)C1CCCCN1[13CH3] 269982a_100000757267_200025704644 [0,1,0,1,0,0|1,0,1]=4 16713 B10R1.61 CC(C)C1CCCCN1[13CH3] 34a_100000757267_200025704644 [0,1,0,1,0,0|1,0,1]=4 16714 B10R1.61 CC(C)N1CCCCC1C 2230a_100000211376_100000210206 [0,1,0,1,0,0|1,0,1]=4 16715 B10R1.61 CC(C)N1CCCCC1C 269982a_100000211376_100000210206 [0,1,0,1,0,0|1,0,1]=4 16716 B10R1.61 CC(C)N1CCCCC1C 34a_100000211376_100000210206 [0,1,0,1,0,0|1,0,1]=4 16717 B10R1.61 CC1CCCCC1C(=O)[13CH3] 1458a_100011215568_200025704644 [0,1,0,1,0,0|0,0,0]=2 16718 B10R1.61 CC1CCCCC1N(C)C 270004a_100102631434_100000210921 [0,1,0,1,0,0|2,0,0]=4 16719 B10R1.61 CC1CNCCC1N(C)C 270004a_100102631434_100000703950 [0,1,0,1,0,0|2,0,0]=4 16720 B10R1.61 CC1COCCC1N(C)C 270004a_100102631434_100000755695 [0,1,0,1,0,0|2,0,0]=4 16721 B10R1.61 CN(C)C1CCCCC1F 269982a_100102631434_100015423560 [0,1,0,1,0,0|2,0,0]=4 16722 B10R1.61 CN(C)C1CCCCC1O 269982a_100102631434_100000038908 [0,1,0,1,0,0|2,0,0]=4 16723 B10R1.61 CN(C)[C@@H]1CCCC[C@H]1O 269982a_100000708425_200000210301 [0,1,0,1,0,0|2,0,0]=4 16724 B10R1.61 CN([13CH3])[C@@H]1CCCC[C@H]1O 269982a_100000708425_200025704644 [0,1,0,1,0,0|2,0,0]=4 16725 B10R1.61 CN1CCCCC1C(=O)N 2230a_100000181395_200000210301 [0,1,0,1,0,0|1,0,0]=3 16726 B10R1.61 CN1CCCCC1C(=O)N 269982a_100000181395_200000210301 [0,1,0,1,0,0|1,0,0]=3 16727 B10R1.61 CN1CCCCC1C(=O)N 34a_100000181395_200000210301 [0,1,0,1,0,0|1,0,0]=3 16728 B10R1.61 CN1CCCC[C@@H]1C(=O)O 269956a_100000763471_200000210301 [0,1,0,1,0,0|1,0,0]=3 16729 B10R1.61 CN1CCCC[C@@H]1C(=O)[13CH3] 1458a_100000767060_200025704644 [0,1,0,1,0,0|0,0,0]=2 16730 B10R1.61 CN1CCOC[C@@H]1C(=O)O 269956a_100016993156_200000210301 [0,1,0,1,0,0|2,0,0]=4 16731 B10R1.61 CN1CCSCC1C(=O)O 269956a_100011346106_200000210301 [0,1,0,1,0,0|2,0,0]=4 16732 B10R1.61 CN1CSCCC1C(=O)O 269956a_100015185162_200000210301 [0,1,0,1,0,0|2,0,0]=4 16733 B10R1.61 [13CH3]C(=O)C1CCCCC1O 1458a_100011803323_200025704644 [0,1,0,1,0,0|0,0,0]=2 16734 B10R1.61 [13CH3]C(=O)C1CCCNC1=O 1458a_100000087122_200025704644 [0,1,0,1,0,0|1,0,1]=4 16735 B10R1.61 [13CH3]N1CCCCC1C(=O)N 2230a_100000181395_200025704644 [0,1,0,1,0,0|1,0,0]=3 16736 B10R1.61 [13CH3]N1CCCCC1C(=O)N 269982a_100000181395_200025704644 [0,1,0,1,0,0|1,0,0]=3 16737 B10R1.61 [13CH3]N1CCCCC1C(=O)N 34a_100000181395_200025704644 [0,1,0,1,0,0|1,0,0]=3 16738 B10R1.61 [13CH3]N1CCCC[C@@H]1C(=O)O 269956a_100000763471_200025704644 [0,1,0,1,0,0|1,0,0]=3 16739 B10R1.61 [13CH3]N1CCOC[C@@H]1C(=O)O 269956a_100016993156_200025704644 [0,1,0,1,0,0|2,0,0]=4 16740 B10R1.61 [13CH3]N1CCSCC1C(=O)O 269956a_100011346106_200025704644 [0,1,0,1,0,0|2,0,0]=4 16741 B10R1.61 [13CH3]N1CSCCC1C(=O)O 269956a_100015185162_200025704644 [0,1,0,1,0,0|2,0,0]=4 16742 B10R1.64 C=C(C)CN1CCC[C@@H]1C 2230a_100020605311_100000748629 [0,1,0,1,0,0|1,0,0]=3 16743 B10R1.64 C=C(C)CN1CCC[C@@H]1C 269982a_100020605311_100000748629 [0,1,0,1,0,0|1,0,0]=3 16744 B10R1.64 C=C(C)CN1CCC[C@H]1C 2230a_100015189458_100000748629 [0,1,0,1,0,0|1,0,0]=3 16745 B10R1.64 C=C(C)CN1CCC[C@H]1C 269982a_100015189458_100000748629 [0,1,0,1,0,0|1,0,0]=3 16746 B10R1.64 C=C(C)CN1CCC[C@H]1C 34a_100015189458_100000748629 [0,1,0,1,0,0|1,0,0]=3 16747 B10R1.64 C=C(C)CN1CCSC1C 2230a_200011216479_100000748629 [0,1,0,1,0,0|2,0,0]=4 16748 B10R1.64 C=C(C)CN1CCSC1C 269982a_200011216479_100000748629 [0,1,0,1,0,0|2,0,0]=4 16749 B10R1.64 C=C(C)CN1CCSC1C 34a_200011216479_100000748629 [0,1,0,1,0,0|2,0,0]=4 16750 B10R1.64 C=C(F)CN1CCC[C@@H]1C 2230a_100020605311_100009893438 [0,1,0,1,0,0|1,0,1]=4 16751 B10R1.64 C=C(F)CN1CCC[C@@H]1C 269982a_100020605311_100009893438 [0,1,0,1,0,0|1,0,1]=4 16752 B10R1.64 C=C(F)CN1CCC[C@H]1C 2230a_100015189458_100009893438 [0,1,0,1,0,0|1,0,1]=4 16753 B10R1.64 C=C(F)CN1CCC[C@H]1C 269982a_100015189458_100009893438 [0,1,0,1,0,0|1,0,1]=4 16754 B10R1.64 C=C(F)CN1CCC[C@H]1C 34a_100015189458_100009893438 [0,1,0,1,0,0|1,0,1]=4 16755 B10R1.64 CC(=O)CN1CCCC1=O 1458a_100000189602_200000210301 [0,1,0,1,0,0|1,0,1]=4 16756 B10R1.64 CC(=O)N[C@H]1CCC[C@@H]1O 11a_100000748460_100015343762 [0,1,0,1,0,0|1,0,0]=3 16757 B10R1.64 CC(=O)N[C@H]1CCC[C@@H]1O 240690a_100000748460_100015343762 [0,1,0,1,0,0|1,0,0]=3 16758 B10R1.64 CC(=O)N[C@H]1COC[C@@H]1O 11a_100015191717_100015343762 [0,1,0,1,0,0|2,0,0]=4 16759 B10R1.64 CC(=O)N[C@H]1COC[C@@H]1O 240690a_100015191717_100015343762 [0,1,0,1,0,0|2,0,0]=4 16760 B10R1.64 CC(=O)N[C@H]1COC[C@@H]1O 527a_100015191717_100103153847 [0,1,0,1,0,0|2,0,0]=4 16761 B10R1.64 CC(C)CC1CCCN1C 2230a_100000748429_200000210301 [0,1,0,1,0,0|1,0,1]=4 16762 B10R1.64 CC(C)CC1CCCN1C 269982a_100000748429_200000210301 [0,1,0,1,0,0|1,0,1]=4 16763 B10R1.64 CC(C)CC1CCCN1C 34a_100000748429_200000210301 [0,1,0,1,0,0|1,0,1]=4 16764 B10R1.64 CC(C)CC1CCCN1[13CH3] 2230a_100000748429_200025704644 [0,1,0,1,0,0|1,0,1]=4 16765 B10R1.64 CC(C)CC1CCCN1[13CH3] 269982a_100000748429_200025704644 [0,1,0,1,0,0|1,0,1]=4 16766 B10R1.64 CC(C)CC1CCCN1[13CH3] 34a_100000748429_200025704644 [0,1,0,1,0,0|1,0,1]=4 16767 B10R1.64 CC(C)CN1CCC[C@@H]1C 2230a_100020605311_100000210760 [0,1,0,1,0,0|1,0,1]=4 16768 B10R1.64 CC(C)CN1CCC[C@@H]1C 269982a_100020605311_100000210624 [0,1,0,1,0,0|1,0,1]=4 16769 B10R1.64 CC(C)CN1CCC[C@@H]1C 270004a_100020605311_100000210432 [0,1,0,1,0,0|1,0,1]=4 16770 B10R1.64 CC(C)CN1CCC[C@H]1C 2230a_100015189458_100000210760 [0,1,0,1,0,0|1,0,1]=4 16771 B10R1.64 CC(C)CN1CCC[C@H]1C 269982a_100015189458_100000210624 [0,1,0,1,0,0|1,0,1]=4 16772 B10R1.64 CC(C)CN1CCC[C@H]1C 270004a_100015189458_100000210432 [0,1,0,1,0,0|1,0,1]=4 16773 B10R1.64 CC(C)CN1CCC[C@H]1C 34a_100015189458_100000210624 [0,1,0,1,0,0|1,0,1]=4 16774 B10R1.64 CC(C)OC1CCCC1C 34a_100011216460_100000210206 [0,1,0,1,0,0|1,0,1]=4 16775 B10R1.64 CC(C)OC1CCCC1C 7a_100011216460_100000210206 [0,1,0,1,0,0|1,0,1]=4 16776 B10R1.64 CC(O)CN1CCC[C@@H]1C 2230a_100020605311_100011218427 [0,1,0,1,0,0|0,0,2]=4 16777 B10R1.64 CC(O)CN1CCC[C@@H]1C 269982a_100020605311_100011218427 [0,1,0,1,0,0|0,0,2]=4 16778 B10R1.64 CC(O)CN1CCC[C@H]1C 2230a_100015189458_100011218427 [0,1,0,1,0,0|0,0,2]=4 16779 B10R1.64 CC(O)CN1CCC[C@H]1C 269982a_100015189458_100011218427 [0,1,0,1,0,0|0,0,2]=4 16780 B10R1.64 CC(O)CN1CCC[C@H]1C 34a_100015189458_100011218427 [0,1,0,1,0,0|0,0,2]=4 16781 B10R1.64 CC1SCCN1CC(=O)N 2230a_200011216479_100000747473 [0,1,0,1,0,0|2,0,0]=4 16782 B10R1.64 CC1SCCN1CC(=O)N 269982a_200011216479_100000187820 [0,1,0,1,0,0|2,0,0]=4 16783 B10R1.64 CC1SCCN1CC(=O)N 34a_200011216479_100000187820 [0,1,0,1,0,0|2,0,0]=4 16784 B10R1.64 CC1SCCN1CC(=O)[O-] 269982a_200011216479_100020667443 [0,1,0,1,0,0|2,0,0]=4 16785 B10R1.64 CC1SCCN1CC(=O)[O-] 34a_200011216479_100020667443 [0,1,0,1,0,0|2,0,0]=4 16786 B10R1.64 CN(C)C[C@H]1CCCN1C 269982a_200020645772_200000210301 [0,1,0,1,0,0|2,0,0]=4 16787 B10R1.64 CN(C)C[C@H]1CCCN1[13CH3] 269982a_200020645772_200025704644 [0,1,0,1,0,0|2,0,0]=4 16788 B10R1.64 C[C@@H](O)CN1CCC[C@@H]1C 2230a_100020605311_100009817552 [0,1,0,1,0,0|0,0,2]=4 16789 B10R1.64 C[C@@H](O)CN1CCC[C@@H]1C 269982a_100020605311_100009817552 [0,1,0,1,0,0|0,0,2]=4 16790 B10R1.64 C[C@@H]1CCCN1CC(=O)N 2230a_100015189458_100000747473 [0,1,0,1,0,0|1,0,0]=3 16791 B10R1.64 C[C@@H]1CCCN1CC(=O)N 269982a_100015189458_100000187820 [0,1,0,1,0,0|1,0,0]=3 16792 B10R1.64 C[C@@H]1CCCN1CC(=O)N 34a_100015189458_100000187820 [0,1,0,1,0,0|1,0,0]=3 16793 B10R1.64 C[C@@H]1CCCN1CC(=O)[O-] 269982a_100015189458_100020667443 [0,1,0,1,0,0|1,0,0]=3 16794 B10R1.64 C[C@@H]1CCCN1CC(=O)[O-] 34a_100015189458_100020667443 [0,1,0,1,0,0|1,0,0]=3 16795 B10R1.64 C[C@@H]1CCCN1C[C@@H](C)O 2230a_100015189458_100009817552 [0,1,0,1,0,0|0,0,2]=4 16796 B10R1.64 C[C@@H]1CCCN1C[C@@H](C)O 269982a_100015189458_100009817552 [0,1,0,1,0,0|0,0,2]=4 16797 B10R1.64 C[C@@H]1CCCN1C[C@@H](C)O 34a_100015189458_100009817552 [0,1,0,1,0,0|0,0,2]=4 16798 B10R1.64 C[C@@H]1CCCN1C[N+](=O)[O-] 269982a_100015189458_100000761209 [0,1,0,1,0,0|2,0,0]=4 16799 B10R1.64 C[C@@H]1CCCN1C[N+](=O)[O-] 34a_100015189458_100000761209 [0,1,0,1,0,0|2,0,0]=4 16800 B10R1.64 C[C@H]1CCCN1CC(=O)N 2230a_100020605311_100000747473 [0,1,0,1,0,0|1,0,0]=3 16801 B10R1.64 C[C@H]1CCCN1CC(=O)N 269982a_100020605311_100000187820 [0,1,0,1,0,0|1,0,0]=3 16802 B10R1.64 C[C@H]1CCCN1CC(=O)[O-] 269982a_100020605311_100020667443 [0,1,0,1,0,0|1,0,0]=3 16803 B10R1.64 C[C@H]1CCCN1C[N+](=O)[O-] 269982a_100020605311_100000761209 [0,1,0,1,0,0|2,0,0]=4 16804 B10R1.64 [13CH3]C(=O)CN1CCCC1=O 1458a_100000189602_200025704644 [0,1,0,1,0,0|1,0,1]=4 16805 B10R1.66 C=C(C)CCN1CCCC1 2230a_100000188435_100000730704 [0,1,0,1,0,0|1,0,0]=3 16806 B10R1.66 C=C(C)CCN1CCCC1 269982a_100000188435_100000730704 [0,1,0,1,0,0|1,0,0]=3 16807 B10R1.66 C=C(C)CCN1CCSC1 2230a_100011215254_100000730704 [0,1,0,1,0,0|2,0,0]=4 16808 B10R1.66 C=C(C)CCN1CCSC1 269982a_100011215254_100000730704 [0,1,0,1,0,0|2,0,0]=4 16809 B10R1.66 C=C(C)CNC1CCCC1 2230a_100000211070_100000748629 [0,1,0,1,0,0|1,0,0]=3 16810 B10R1.66 C=C(C)CNC1CCCC1 34a_100000211070_100000748629 [0,1,0,1,0,0|1,0,0]=3 16811 B10R1.66 C=C(C)CN[C@@H]1CCOC1 2230a_200015188469_100000748629 [0,1,0,1,0,0|2,0,0]=4 16812 B10R1.66 C=C(C)CN[C@H]1CCOC1 2230a_100015188467_100000748629 [0,1,0,1,0,0|2,0,0]=4 16813 B10R1.66 C=C(C)CN[C@H]1CCOC1 34a_100015188467_100000748629 [0,1,0,1,0,0|2,0,0]=4 16814 B10R1.66 C=C(C)COC1CCCC1 34a_100000210245_100000179811 [0,1,0,1,0,0|1,0,0]=3 16815 B10R1.66 C=C(C)COC1CCCC1 34a_100000210269_100000748629 [0,1,0,1,0,0|1,0,0]=3 16816 B10R1.66 C=C(C)COC1CCCC1 7a_100000210269_100000748629 [0,1,0,1,0,0|1,0,0]=3 16817 B10R1.66 C=C(C)COC1CCCO1 34a_100000085407_100000748629 [0,1,0,1,0,0|2,0,0]=4 16818 B10R1.66 C=C(C)COC1CCOC1 34a_100000210245_100000690089 [0,1,0,1,0,0|2,0,0]=4 16819 B10R1.66 C=C(C)COC1CCSC1 7a_100011232664_100000748629 [0,1,0,1,0,0|2,0,0]=4 16820 B10R1.66 C=C(C)CO[C@H]1CCOC1 34a_100000717292_100000748629 [0,1,0,1,0,0|2,0,0]=4 16821 B10R1.66 C=C(C)CSC1CCCC1 62a_100000748629_100000179811 [0,1,0,1,0,0|1,0,0]=3 16822 B10R1.66 C=C(C)CSC1CCCC1 62a_100011217020_100000211660 [0,1,0,1,0,0|1,0,0]=3 16823 B10R1.66 C=C(C)CSC1CCOC1 62a_100000748629_100000690089 [0,1,0,1,0,0|2,0,0]=4 16824 B10R1.66 C=C(F)CNC1CCCC1 2230a_100000211070_100009893438 [0,1,0,1,0,0|1,0,1]=4 16825 B10R1.66 C=C(F)CNC1CCCC1 34a_100000211070_100009893438 [0,1,0,1,0,0|1,0,1]=4 16826 B10R1.66 C=C(F)COC1CCCC1 34a_100000210269_100009893438 [0,1,0,1,0,0|1,0,1]=4 16827 B10R1.66 C=C(F)COC1CCCC1 34a_200010262243_100000179811 [0,1,0,1,0,0|1,0,1]=4 16828 B10R1.66 C=C(F)COC1CCCC1 7a_100000210269_100000042424 [0,1,0,1,0,0|1,0,1]=4 16829 B10R1.66 C=C(F)CSC1CCCC1 62a_100000042424_100000179811 [0,1,0,1,0,0|1,0,1]=4 16830 B10R1.66 C=C(F)CSC1CCCC1 62a_100011217020_100000042424 [0,1,0,1,0,0|1,0,1]=4 16831 B10R1.66 CC(=CCN1CCCC1)C 2230a_100000188435_100000761012 [0,1,0,1,0,0|1,0,1]=4 16832 B10R1.66 CC(=CCN1CCCC1)C 269982a_100000188435_100000761012 [0,1,0,1,0,0|1,0,1]=4 16833 B10R1.66 CC(=O)CCC1CCCC1 1458a_100000070787_100000760354 [0,1,0,1,0,0|0,0,0]=2 16834 B10R1.66 CC(=O)CCC1CCCC1 1458a_100000211120_200000210301 [0,1,0,1,0,0|0,0,0]=2 16835 B10R1.66 CC(=O)CCC1CCCO1 1458a_100011247709_200000210301 [0,1,0,1,0,0|0,0,0]=2 16836 B10R1.66 CC(=O)CCC1OCCO1 1458a_100000070787_100000740749 [0,1,0,1,0,0|1,0,0]=3 16837 B10R1.66 CC(=O)CCC1OCCO1 1458a_100000082924_200000210301 [0,1,0,1,0,0|1,0,0]=3 16838 B10R1.66 CC(=O)CCN1CC=CC1 269982a_100015195280_100000053229 [0,1,0,1,0,0|0,0,2]=4 16839 B10R1.66 CC(=O)CCN1CCCC1 1458a_100000070787_100000004467 [0,1,0,1,0,0|0,0,0]=2 16840 B10R1.66 CC(=O)CCN1CCCC1 1458a_100000738983_200000210301 [0,1,0,1,0,0|0,0,0]=2 16841 B10R1.66 CC(=O)CCN1CCCC1 269982a_100000188435_100000053229 [0,1,0,1,0,0|0,0,0]=2 16842 B10R1.66 CC(=O)CCN1CCCO1 1458a_200015187630_200000210301 [0,1,0,1,0,0|1,0,0]=3 16843 B10R1.66 CC(=O)CCN1CCSC1 269982a_100011215254_100000053229 [0,1,0,1,0,0|1,0,0]=3 16844 B10R1.66 CC(=O)CNC1=NCCC1 1458a_100000118783_200000210301 [0,1,0,1,0,0|1,0,1]=4 16845 B10R1.66 CC(=O)COC1CCCC1 1458a_100000741352_200000210301 [0,1,0,1,0,0|0,0,0]=2 16846 B10R1.66 CC(=O)COC1CCCC1 34a_100000211253_100000179811 [0,1,0,1,0,0|0,0,0]=2 16847 B10R1.66 CC(=O)COC1CCOC1 34a_100000211253_100000690089 [0,1,0,1,0,0|1,0,0]=3 16848 B10R1.66 CC(=O)NCC1CCCC1 11a_100000737975_100015343762 [0,1,0,1,0,0|0,0,0]=2 16849 B10R1.66 CC(=O)NCC1CCCC1 1626a_100000737975_100015343762 [0,1,0,1,0,0|0,0,0]=2 16850 B10R1.66 CC(=O)NCC1CCCC1 240690a_100000737975_100015343762 [0,1,0,1,0,0|0,0,0]=2 16851 B10R1.66 CC(=O)NCC1CCCC1 527a_100000737975_100103153847 [0,1,0,1,0,0|0,0,0]=2 16852 B10R1.66 CC(=O)NCC1CCOC1 11a_100000737293_100015343762 [0,1,0,1,0,0|1,0,0]=3 16853 B10R1.66 CC(=O)NCC1CCOC1 1626a_100000737293_100015343762 [0,1,0,1,0,0|1,0,0]=3 16854 B10R1.66 CC(=O)NCC1CCOC1 240690a_100000737293_100015343762 [0,1,0,1,0,0|1,0,0]=3 16855 B10R1.66 CC(=O)NCC1CCOC1 527a_100000737293_100103153847 [0,1,0,1,0,0|1,0,0]=3 16856 B10R1.66 CC(=O)NCC1OCCO1 11a_100000036311_100015343762 [0,1,0,1,0,0|2,0,0]=4 16857 B10R1.66 CC(=O)NCC1OCCO1 1626a_100000036311_100015343762 [0,1,0,1,0,0|2,0,0]=4 16858 B10R1.66 CC(=O)NCC1OCCO1 527a_100000036311_100103153847 [0,1,0,1,0,0|2,0,0]=4 16859 B10R1.66 CC(=O)NC[C@@H]1CCCO1 11a_100020590478_100015343762 [0,1,0,1,0,0|1,0,0]=3 16860 B10R1.66 CC(=O)NC[C@@H]1CCCO1 1626a_100020590478_100015343762 [0,1,0,1,0,0|1,0,0]=3 16861 B10R1.66 CC(=O)NC[C@@H]1CCCO1 240690a_100020590478_100015343762 [0,1,0,1,0,0|1,0,0]=3 16862 B10R1.66 CC(=O)NC[C@@H]1CCCO1 527a_100020590478_100103153847 [0,1,0,1,0,0|1,0,0]=3 16863 B10R1.66 CC(=O)NN=C1CCCC1 4a_100000189765_100000210133 [0,1,0,1,0,0|1,0,1]=4 16864 B10R1.66 CC(=O)NNC1CCCC1 22a_100000737850_100000070787 [0,1,0,1,0,0|1,0,0]=3 16865 B10R1.66 CC(=O)NNC1CCOC1 22a_100000690549_100000070787 [0,1,0,1,0,0|2,0,0]=4 16866 B10R1.66 CC(=O)NNC1CCSC1 22a_200000731317_100000070787 [0,1,0,1,0,0|2,0,0]=4 16867 B10R1.66 CC(=O)OCN1CCCC1 269982a_100000188435_100000076356 [0,1,0,1,0,0|1,0,0]=3 16868 B10R1.66 CC(=O)OCN1CCSC1 269982a_100011215254_100000076356 [0,1,0,1,0,0|2,0,0]=4 16869 B10R1.66 CC(Br)COC1CCCC1 34a_100012180447_100000179811 [0,1,0,1,0,0|1,0,1]=4 16870 B10R1.66 CC(C)CCN1CCCC1 2230a_100000188435_100000210312 [0,1,0,1,0,0|1,0,1]=4 16871 B10R1.66 CC(C)CCN1CCCC1 269982a_100000188435_100000210312 [0,1,0,1,0,0|1,0,1]=4 16872 B10R1.66 CC(C)CNC1CCCC1 2230a_100000210953_100000179811 [0,1,0,1,0,0|1,0,1]=4 16873 B10R1.66 CC(C)CNC1CCCC1 2230a_100000211070_100000210760 [0,1,0,1,0,0|1,0,1]=4 16874 B10R1.66 CC(C)CNC1CCCC1 270004a_100000210953_100000210133 [0,1,0,1,0,0|1,0,1]=4 16875 B10R1.66 CC(C)CNC1CCCC1 270004a_100000211070_100000210432 [0,1,0,1,0,0|1,0,1]=4 16876 B10R1.66 CC(C)CNC1CCCC1 34a_100000210953_100000179811 [0,1,0,1,0,0|1,0,1]=4 16877 B10R1.66 CC(C)CNC1CCCC1 34a_100000211070_100000210624 [0,1,0,1,0,0|1,0,1]=4 16878 B10R1.66 CC(C)COC1CCCC1 34a_100000210257_100000179811 [0,1,0,1,0,0|1,0,1]=4 16879 B10R1.66 CC(C)COC1CCCC1 34a_100000210269_100000210624 [0,1,0,1,0,0|1,0,1]=4 16880 B10R1.66 CC(C)COC1CCCC1 7a_100000210269_100000210760 [0,1,0,1,0,0|1,0,1]=4 16881 B10R1.66 CC(C)CSC1CCCC1 62a_100000210624_100000179811 [0,1,0,1,0,0|1,0,1]=4 16882 B10R1.66 CC(C)CSC1CCCC1 62a_100011217020_100000210760 [0,1,0,1,0,0|1,0,1]=4 16883 B10R1.66 CC(C)NCC1CCCC1 2230a_100000737975_100000210206 [0,1,0,1,0,0|1,0,1]=4 16884 B10R1.66 CC(C)NCC1CCCC1 2230a_100138425928_100000740388 [0,1,0,1,0,0|1,0,1]=4 16885 B10R1.66 CC(C)NCC1CCCC1 34a_100000737975_100000210206 [0,1,0,1,0,0|1,0,1]=4 16886 B10R1.66 CC(C)NCC1CCCC1 34a_100138425928_100000740388 [0,1,0,1,0,0|1,0,1]=4 16887 B10R1.66 CC(C)OCC1CCCC1 34a_100000212225_100000740388 [0,1,0,1,0,0|1,0,1]=4 16888 B10R1.66 CC(C)OCC1CCCC1 34a_100000742336_100000210206 [0,1,0,1,0,0|1,0,1]=4 16889 B10R1.66 CC(C)OCC1CCCC1 7a_100000742336_100000210206 [0,1,0,1,0,0|1,0,1]=4 16890 B10R1.66 CC(C)SCC1CCCC1 62a_100000210206_100000740388 [0,1,0,1,0,0|1,0,1]=4 16891 B10R1.66 CC(C)SCC1CCCC1 62a_100000740388_100000210206 [0,1,0,1,0,0|1,0,1]=4 16892 B10R1.66 CC(F)COC1CCCC1 34a_100015925927_100000179811 [0,1,0,1,0,0|1,0,1]=4 16893 B10R1.66 CC(O)CCN1CCCC1 2230a_100000188435_100012276601 [0,1,0,1,0,0|0,0,2]=4 16894 B10R1.66 CC(O)CCN1CCCC1 269982a_100000188435_100012276601 [0,1,0,1,0,0|0,0,2]=4 16895 B10R1.66 CC(O)CNC1CCCC1 2230a_100000210904_100000179811 [0,1,0,1,0,0|0,0,2]=4 16896 B10R1.66 CC(O)CNC1CCCC1 2230a_100000211070_100011218427 [0,1,0,1,0,0|0,0,2]=4 16897 B10R1.66 CC(O)CNC1CCCC1 270004a_100000210904_100000210133 [0,1,0,1,0,0|0,0,2]=4 16898 B10R1.66 CC(O)CNC1CCCC1 34a_100000210904_100000179811 [0,1,0,1,0,0|0,0,2]=4 16899 B10R1.66 CC(O)CNC1CCCC1 34a_100000211070_100011218427 [0,1,0,1,0,0|0,0,2]=4 16900 B10R1.66 CC(O)COC1CCCC1 34a_100000210269_100011218427 [0,1,0,1,0,0|0,0,2]=4 16901 B10R1.66 CC(O)COC1CCCC1 7a_100000210269_100011218427 [0,1,0,1,0,0|0,0,2]=4 16902 B10R1.66 CC(O)CSC1CCCC1 62a_100011217020_100011218427 [0,1,0,1,0,0|0,0,2]=4 16903 B10R1.66 CC(O)CSC1CCCC1 62a_100011218427_100000179811 [0,1,0,1,0,0|0,0,2]=4 16904 B10R1.66 CN(C)CCC1CCCC1 2230a_100102631434_100000760354 [0,1,0,1,0,0|2,0,0]=4 16905 B10R1.66 CN(C)CCC1CCCC1 269982a_100102631434_100000760354 [0,1,0,1,0,0|2,0,0]=4 16906 B10R1.66 CN(C)CCN1CCCC1 2230a_100000225677_200000210301 [0,1,0,1,0,0|2,0,0]=4 16907 B10R1.66 CN(C)CCN1CCCC1 269982a_100000188435_100000755713 [0,1,0,1,0,0|2,0,0]=4 16908 B10R1.66 CN(C)CCN1CCCC1 269982a_100000225677_200000210301 [0,1,0,1,0,0|2,0,0]=4 16909 B10R1.66 CN(C)CCN1CCCC1 269982a_100102631434_100000004467 [0,1,0,1,0,0|2,0,0]=4 16910 B10R1.66 CN([13CH3])CCN1CCCC1 2230a_100000225677_200025704644 [0,1,0,1,0,0|2,0,0]=4 16911 B10R1.66 CN([13CH3])CCN1CCCC1 269982a_100000225677_200025704644 [0,1,0,1,0,0|2,0,0]=4 16912 B10R1.66 C[C@@H](Cl)COC1CCCC1 34a_100016084084_100000179811 [0,1,0,1,0,0|1,0,1]=4 16913 B10R1.66 C[C@@H](N)COC1CCCC1 34a_100000737577_100000179811 [0,1,0,1,0,0|1,0,1]=4 16914 B10R1.66 C[C@@H](O)CNC1CCCC1 2230a_100000211070_100009817552 [0,1,0,1,0,0|0,0,2]=4 16915 B10R1.66 C[C@@H](O)CNC1CCCC1 34a_100000211070_100009817552 [0,1,0,1,0,0|0,0,2]=4 16916 B10R1.66 C[C@@H](O)COC1CCCC1 34a_100000210269_100009817552 [0,1,0,1,0,0|0,0,2]=4 16917 B10R1.66 C[C@@H](O)COC1CCCC1 7a_100000210269_100009817552 [0,1,0,1,0,0|0,0,2]=4 16918 B10R1.66 C[C@@H](O)CSC1CCCC1 62a_100009817552_100000179811 [0,1,0,1,0,0|0,0,2]=4 16919 B10R1.66 C[C@@H](O)CSC1CCCC1 62a_100011217020_100009817552 [0,1,0,1,0,0|0,0,2]=4 16920 B10R1.66 NC(=O)CCN1CCCC1 2230a_100000188435_100000744528 [0,1,0,1,0,0|1,0,0]=3 16921 B10R1.66 NC(=O)CCN1CCCC1 269982a_100000188435_100000744528 [0,1,0,1,0,0|1,0,0]=3 16922 B10R1.66 NC(=O)CCN1CCSC1 2230a_100011215254_100000744528 [0,1,0,1,0,0|2,0,0]=4 16923 B10R1.66 NC(=O)CCN1CCSC1 269982a_100011215254_100000744528 [0,1,0,1,0,0|2,0,0]=4 16924 B10R1.66 NC(=O)CNC1CCCC1 2230a_100000211070_100000747473 [0,1,0,1,0,0|1,0,0]=3 16925 B10R1.66 NC(=O)CNC1CCCC1 2230a_100000711301_100000179811 [0,1,0,1,0,0|1,0,0]=3 16926 B10R1.66 NC(=O)CNC1CCCC1 34a_100000211070_100000187820 [0,1,0,1,0,0|1,0,0]=3 16927 B10R1.66 NC(=O)CNC1CCOC1 2230a_100000711301_100000731011 [0,1,0,1,0,0|2,0,0]=4 16928 B10R1.66 NC(=O)CN[C@@H]1CCOC1 2230a_200015188469_100000747473 [0,1,0,1,0,0|2,0,0]=4 16929 B10R1.66 NC(=O)CN[C@H]1CCOC1 2230a_100015188467_100000747473 [0,1,0,1,0,0|2,0,0]=4 16930 B10R1.66 NC(=O)CN[C@H]1CCOC1 34a_100015188467_100000187820 [0,1,0,1,0,0|2,0,0]=4 16931 B10R1.66 NC(=O)COC1CCCC1 34a_100000210269_100000187820 [0,1,0,1,0,0|1,0,0]=3 16932 B10R1.66 NC(=O)COC1CCCC1 7a_100000210269_100000187820 [0,1,0,1,0,0|1,0,0]=3 16933 B10R1.66 NC(=O)COC1CCCO1 34a_100000085407_100000187820 [0,1,0,1,0,0|2,0,0]=4 16934 B10R1.66 NC(=O)COC1CCSC1 7a_100011232664_100000187820 [0,1,0,1,0,0|2,0,0]=4 16935 B10R1.66 NC(=O)CO[C@H]1CCOC1 34a_100000717292_100000187820 [0,1,0,1,0,0|2,0,0]=4 16936 B10R1.66 NC(=O)CSC1CCCC1 62a_100000747473_100000179811 [0,1,0,1,0,0|1,0,0]=3 16937 B10R1.66 NC(=O)CSC1CCCC1 62a_100011217020_100000747473 [0,1,0,1,0,0|1,0,0]=3 16938 B10R1.66 NC(=O)CSC1CCOC1 62a_100000747473_100000690089 [0,1,0,1,0,0|2,0,0]=4 16939 B10R1.66 O=C(O)CNC1CCCC1 269956a_100016091260_100000179811 [0,1,0,1,0,0|1,0,0]=3 16940 B10R1.66 O=C(O)CNC1CCOC1 269956a_100016091260_100000731011 [0,1,0,1,0,0|2,0,0]=4 16941 B10R1.66 O=C([O-])CNC1CCCC1 34a_100000211070_100020667443 [0,1,0,1,0,0|1,0,0]=3 16942 B10R1.66 O=C([O-])CN[C@H]1CCOC1 34a_100015188467_100020667443 [0,1,0,1,0,0|2,0,0]=4 16943 B10R1.66 O=C([O-])COC1CCCC1 34a_100000210269_100020667443 [0,1,0,1,0,0|1,0,0]=3 16944 B10R1.66 O=C([O-])COC1CCCO1 34a_100000085407_100020667443 [0,1,0,1,0,0|2,0,0]=4 16945 B10R1.66 O=C([O-])CO[C@H]1CCOC1 34a_100000717292_100020667443 [0,1,0,1,0,0|2,0,0]=4 16946 B10R1.66 O=C([O-])CSC1CCCC1 62a_100011217020_100020667443 [0,1,0,1,0,0|1,0,0]=3 16947 B10R1.66 O=C([O-])CSC1CCCC1 62a_100020667443_100000179811 [0,1,0,1,0,0|1,0,0]=3 16948 B10R1.66 O=C([O-])CSC1CCOC1 62a_100020667443_100000690089 [0,1,0,1,0,0|2,0,0]=4 16949 B10R1.66 O=[N+]([O-])CNC1CCCC1 34a_100000211070_100000761209 [0,1,0,1,0,0|2,0,0]=4 16950 B10R1.66 O=[N+]([O-])COC1CCCC1 34a_100000210269_100000761209 [0,1,0,1,0,0|2,0,0]=4 16951 B10R1.66 O=[N+]([O-])CSC1CCCC1 62a_100011217020_100000761209 [0,1,0,1,0,0|2,0,0]=4 16952 B10R1.66 [13CH3]C(=O)CCC1CCCC1 1458a_100000211120_200025704644 [0,1,0,1,0,0|0,0,0]=2 16953 B10R1.66 [13CH3]C(=O)CCC1CCCO1 1458a_100011247709_200025704644 [0,1,0,1,0,0|0,0,0]=2 16954 B10R1.66 [13CH3]C(=O)CCC1OCCO1 1458a_100000082924_200025704644 [0,1,0,1,0,0|1,0,0]=3 16955 B10R1.66 [13CH3]C(=O)CCN1CCCC1 1458a_100000738983_200025704644 [0,1,0,1,0,0|0,0,0]=2 16956 B10R1.66 [13CH3]C(=O)CCN1CCCO1 1458a_200015187630_200025704644 [0,1,0,1,0,0|1,0,0]=3 16957 B10R1.66 [13CH3]C(=O)CNC1=NCCC1 1458a_100000118783_200025704644 [0,1,0,1,0,0|1,0,1]=4 16958 B10R1.66 [13CH3]C(=O)COC1CCCC1 1458a_100000741352_200025704644 [0,1,0,1,0,0|0,0,0]=2 16959 B10R1.78 CN1CCCCCCCC1 2230a_100000039187_200000210301 [0,1,0,1,0,0|2,0,0]=4 16960 B10R1.78 CN1CCCCCCCC1 269982a_100000039187_200000210301 [0,1,0,1,0,0|2,0,0]=4 16961 B10R1.78 CN1CCCCCCCC1 34a_100000039187_200000210301 [0,1,0,1,0,0|2,0,0]=4 16962 B10R1.78 [13CH3]N1CCCCCCCC1 2230a_100000039187_200025704644 [0,1,0,1,0,0|2,0,0]=4 16963 B10R1.78 [13CH3]N1CCCCCCCC1 269982a_100000039187_200025704644 [0,1,0,1,0,0|2,0,0]=4 16964 B10R1.78 [13CH3]N1CCCCCCCC1 34a_100000039187_200025704644 [0,1,0,1,0,0|2,0,0]=4 16965 B10R1.86 CCCN1CCC1C(=O)O 269956a_100000021838_100000210207 [0,1,0,1,0,0|1,0,0]=3 16966 B10R1.86 COCC1CCN1C(=O)C 11a_100015195929_100015343762 [0,1,0,1,0,0|1,0,0]=3 16967 B10R1.86 COCC1CCN1C(=O)C 1626a_100015195929_100015343762 [0,1,0,1,0,0|1,0,0]=3 16968 B10R1.86 COCC1CCN1C(=O)C 240690a_100015195929_100015343762 [0,1,0,1,0,0|1,0,0]=3 16969 B10R1.86 COCC1CCN1C(=O)C 527a_100015195929_100103153847 [0,1,0,1,0,0|1,0,0]=3 16970 B10R1.86 COCN1CCC1C(=O)O 269956a_100000021838_100000766300 [0,1,0,1,0,0|2,0,0]=4 16971 B10R1.86 CSCN1CCC1C(=O)O 269956a_100000021838_100011218213 [0,1,0,1,0,0|2,0,0]=4 16972 B10R1.86 O=C(O)C1CCN1CCF 269956a_100000021838_100011217306 [0,1,0,1,0,0|2,0,0]=4 16973 B10R1.86 O=C(O)C1CCN1CCO 269956a_100000021838_100000211926 [0,1,0,1,0,0|2,0,0]=4 16974 B10R1.126 C=C(Br)CCOCC1CC1 34a_100009813270_100000742324 [0,1,0,1,0,0|1,0,1]=4 16975 B10R1.126 C=C(C)CCNCC1CC1 2230a_100000735609_100000730704 [0,1,0,1,0,0|1,0,0]=3 16976 B10R1.126 C=C(C)CCNCC1CC1 34a_100000735609_100000730704 [0,1,0,1,0,0|1,0,0]=3 16977 B10R1.126 C=C(C)CCOCC1CC1 34a_100000211283_100000730704 [0,1,0,1,0,0|1,0,0]=3 16978 B10R1.126 C=C(C)CCOCC1CC1 34a_100000764851_100000742324 [0,1,0,1,0,0|1,0,0]=3 16979 B10R1.126 C=C(C)CCOCC1CO1 34a_100000764851_102125554688 [0,1,0,1,0,0|2,0,0]=4 16980 B10R1.126 C=C(C)CCOC[C@@H]1CO1 34a_100000757423_100000730704 [0,1,0,1,0,0|2,0,0]=4 16981 B10R1.126 C=C(C)CCSCC1CC1 62a_100000730704_100000742324 [0,1,0,1,0,0|1,0,0]=3 16982 B10R1.126 C=C(C)CCSCC1CC1 62a_100000756562_100000730704 [0,1,0,1,0,0|1,0,0]=3 16983 B10R1.126 C=C(C)CCSCC1CO1 62a_100000730704_102125554688 [0,1,0,1,0,0|2,0,0]=4 16984 B10R1.126 C=C(C)CCSCC1CO1 62a_102125554688_100000730704 [0,1,0,1,0,0|2,0,0]=4 16985 B10R1.126 C=C(C)CCSCC1CS1 62a_100000031435_100000730704 [0,1,0,1,0,0|2,0,0]=4 16986 B10R1.126 C=C(C)CCSCC1CS1 62a_100000730704_100000031435 [0,1,0,1,0,0|2,0,0]=4 16987 B10R1.126 C=C(C)CCSC[C@@H]1CO1 62a_100000730704_100000745022 [0,1,0,1,0,0|2,0,0]=4 16988 B10R1.126 C=C(C)CCSC[C@@H]1CO1 62a_100000745022_100000730704 [0,1,0,1,0,0|2,0,0]=4 16989 B10R1.126 C=C(C)CNCCC1CC1 34a_100000764129_100000748629 [0,1,0,1,0,0|1,0,0]=3 16990 B10R1.126 C=C(C)COCCC1CC1 34a_100000210245_100000694398 [0,1,0,1,0,0|1,0,0]=3 16991 B10R1.126 C=C(C)COCCC1CC1 34a_100000754188_100000748629 [0,1,0,1,0,0|1,0,0]=3 16992 B10R1.126 C=C(C)COCCC1CC1 7a_100000754188_100000748629 [0,1,0,1,0,0|1,0,0]=3 16993 B10R1.126 C=C(C)COCCC1CO1 34a_100000210245_100000732470 [0,1,0,1,0,0|2,0,0]=4 16994 B10R1.126 C=C(C)COCC[C@@H]1CO1 34a_100009820653_100000748629 [0,1,0,1,0,0|2,0,0]=4 16995 B10R1.126 C=C(C)CSCCC1CC1 62a_100000748629_100000764125 [0,1,0,1,0,0|1,0,0]=3 16996 B10R1.126 C=C(C)CSCCC1CC1 62a_100000764125_100000211660 [0,1,0,1,0,0|1,0,0]=3 16997 B10R1.126 C=C(C)CSCCC1CO1 62a_100000732470_100000211660 [0,1,0,1,0,0|2,0,0]=4 16998 B10R1.126 C=C(C)CSCCC1CO1 62a_100000748629_100000732470 [0,1,0,1,0,0|2,0,0]=4 16999 B10R1.126 C=C(F)CNCCC1CC1 34a_100000764129_100009893438 [0,1,0,1,0,0|1,0,1]=4 17000 B10R1.126 C=C(F)COCCC1CC1 34a_100000754188_100009893438 [0,1,0,1,0,0|1,0,1]=4 17001 B10R1.126 C=C(F)COCCC1CC1 34a_200010262243_100000694398 [0,1,0,1,0,0|1,0,1]=4 17002 B10R1.126 C=C(F)COCCC1CC1 7a_100000754188_100000042424 [0,1,0,1,0,0|1,0,1]=4 17003 B10R1.126 C=C(F)CSCCC1CC1 62a_100000042424_100000764125 [0,1,0,1,0,0|1,0,1]=4 17004 B10R1.126 C=C(F)CSCCC1CC1 62a_100000764125_100000042424 [0,1,0,1,0,0|1,0,1]=4 17005 B10R1.126 CC(=CCCNC1CC1)C 34a_100000212008_100011217483 [0,1,0,1,0,0|1,0,1]=4 17006 B10R1.126 CC(=CCCSC1CC1)C 62a_100011217483_100000211595 [0,1,0,1,0,0|1,0,1]=4 17007 B10R1.126 CC(=CCNCC1CC1)C 2230a_100000735609_100000761012 [0,1,0,1,0,0|1,0,1]=4 17008 B10R1.126 CC(=CCNCC1CC1)C 34a_100000718196_100000742324 [0,1,0,1,0,0|1,0,1]=4 17009 B10R1.126 CC(=CCNCC1CC1)C 34a_100000735609_100000761012 [0,1,0,1,0,0|1,0,1]=4 17010 B10R1.126 CC(=CCOCC1CC1)C 34a_100000211283_100000761012 [0,1,0,1,0,0|1,0,1]=4 17011 B10R1.126 CC(=CCOCC1CC1)C 34a_100000753907_100000742324 [0,1,0,1,0,0|1,0,1]=4 17012 B10R1.126 CC(=CCSCC1CC1)C 62a_100000756562_100000761012 [0,1,0,1,0,0|1,0,1]=4 17013 B10R1.126 CC(=CCSCC1CC1)C 62a_100000761012_100000742324 [0,1,0,1,0,0|1,0,1]=4 17014 B10R1.126 CC(=O)CCCNC1CC1 34a_100000212008_100000685027 [0,1,0,1,0,0|0,0,0]=2 17015 B10R1.126 CC(=O)CCCOC1CC1 34a_100000759063_100000211595 [0,1,0,1,0,0|0,0,0]=2 17016 B10R1.126 CC(=O)CCCSC1CC1 62a_100011215641_100000211595 [0,1,0,1,0,0|0,0,0]=2 17017 B10R1.126 CC(=O)CCOCC1CC1 34a_100000759926_100000742324 [0,1,0,1,0,0|0,0,0]=2 17018 B10R1.126 CC(=O)CCOCC1CC1 7a_100000759926_100000742324 [0,1,0,1,0,0|0,0,0]=2 17019 B10R1.126 CC(=O)CCOCC1CO1 34a_100000759926_102125554688 [0,1,0,1,0,0|1,0,0]=3 17020 B10R1.126 CC(=O)CCOCC1CO1 7a_100000759926_102125554688 [0,1,0,1,0,0|1,0,0]=3 17021 B10R1.126 CC(=O)CCOCC1CS1 7a_100000759926_100000031435 [0,1,0,1,0,0|1,0,0]=3 17022 B10R1.126 CC(=O)CCOC[C@@H]1CO1 7a_100000759926_100000745022 [0,1,0,1,0,0|1,0,0]=3 17023 B10R1.126 CC(=O)CCSCC1CC1 62a_100000053229_100000742324 [0,1,0,1,0,0|0,0,0]=2 17024 B10R1.126 CC(=O)CCSCC1CC1 62a_100000756562_100000053229 [0,1,0,1,0,0|0,0,0]=2 17025 B10R1.126 CC(=O)CCSCC1CO1 62a_100000053229_102125554688 [0,1,0,1,0,0|1,0,0]=3 17026 B10R1.126 CC(=O)CCSCC1CO1 62a_102125554688_100000053229 [0,1,0,1,0,0|1,0,0]=3 17027 B10R1.126 CC(=O)CCSCC1CS1 62a_100000031435_100000053229 [0,1,0,1,0,0|1,0,0]=3 17028 B10R1.126 CC(=O)CCSCC1CS1 62a_100000053229_100000031435 [0,1,0,1,0,0|1,0,0]=3 17029 B10R1.126 CC(=O)CCSC[C@@H]1CO1 62a_100000053229_100000745022 [0,1,0,1,0,0|1,0,0]=3 17030 B10R1.126 CC(=O)CCSC[C@@H]1CO1 62a_100000745022_100000053229 [0,1,0,1,0,0|1,0,0]=3 17031 B10R1.126 CC(=O)COCCC1CC1 34a_100000211253_100000694398 [0,1,0,1,0,0|0,0,0]=2 17032 B10R1.126 CC(=O)COCCC1CO1 34a_100000211253_100000732470 [0,1,0,1,0,0|1,0,0]=3 17033 B10R1.126 CC(=O)NCCOC1CC1 34a_100000158858_100000211595 [0,1,0,1,0,0|1,0,0]=3 17034 B10R1.126 CC(=O)NCCSC1CC1 62a_100000189650_100000211595 [0,1,0,1,0,0|1,0,0]=3 17035 B10R1.126 CC(=O)OCCNC1CC1 34a_100000212008_100009814007 [0,1,0,1,0,0|1,0,0]=3 17036 B10R1.126 CC(=O)OCCSC1CC1 62a_100009814007_100000211595 [0,1,0,1,0,0|1,0,0]=3 17037 B10R1.126 CC(=O)OCNCC1CC1 34a_100000735609_100009813279 [0,1,0,1,0,0|1,0,0]=3 17038 B10R1.126 CC(=O)OCOCC1CC1 34a_100000211283_100009813279 [0,1,0,1,0,0|1,0,0]=3 17039 B10R1.126 CC(=O)OCOC[C@@H]1CO1 34a_100000757423_100009813279 [0,1,0,1,0,0|2,0,0]=4 17040 B10R1.126 CC(=O)OCSCC1CC1 62a_100000076356_100000742324 [0,1,0,1,0,0|1,0,0]=3 17041 B10R1.126 CC(=O)OCSCC1CC1 62a_100000756562_100000076356 [0,1,0,1,0,0|1,0,0]=3 17042 B10R1.126 CC(=O)OCSCC1CO1 62a_100000076356_102125554688 [0,1,0,1,0,0|2,0,0]=4 17043 B10R1.126 CC(=O)OCSCC1CO1 62a_102125554688_100000076356 [0,1,0,1,0,0|2,0,0]=4 17044 B10R1.126 CC(=O)OCSCC1CS1 62a_100000031435_100000076356 [0,1,0,1,0,0|2,0,0]=4 17045 B10R1.126 CC(=O)OCSCC1CS1 62a_100000076356_100000031435 [0,1,0,1,0,0|2,0,0]=4 17046 B10R1.126 CC(=O)OCSC[C@@H]1CO1 62a_100000076356_100000745022 [0,1,0,1,0,0|2,0,0]=4 17047 B10R1.126 CC(=O)OCSC[C@@H]1CO1 62a_100000745022_100000076356 [0,1,0,1,0,0|2,0,0]=4 17048 B10R1.126 CC(Br)CCOCC1CC1 34a_100009893172_100000742324 [0,1,0,1,0,0|1,0,1]=4 17049 B10R1.126 CC(Br)COCCC1CC1 34a_100012180447_100000694398 [0,1,0,1,0,0|1,0,1]=4 17050 B10R1.126 CC(C)CCCNC1CC1 34a_100000212008_100011214892 [0,1,0,1,0,0|1,0,1]=4 17051 B10R1.126 CC(C)CCCNC1CC1 34a_200000737386_100000211595 [0,1,0,1,0,0|1,0,1]=4 17052 B10R1.126 CC(C)CCCOC1CC1 34a_100000210774_100000211595 [0,1,0,1,0,0|1,0,1]=4 17053 B10R1.126 CC(C)CCCSC1CC1 62a_100011214892_100000211595 [0,1,0,1,0,0|1,0,1]=4 17054 B10R1.126 CC(C)CCNCC1CC1 2230a_100000735609_100000210312 [0,1,0,1,0,0|1,0,1]=4 17055 B10R1.126 CC(C)CCNCC1CC1 269862a_100000210545_100000741477 [0,1,0,1,0,0|1,0,1]=4 17056 B10R1.126 CC(C)CCNCC1CC1 34a_100000735609_100000210312 [0,1,0,1,0,0|1,0,1]=4 17057 B10R1.126 CC(C)CCOCC1CC1 34a_100000210254_100000742324 [0,1,0,1,0,0|1,0,1]=4 17058 B10R1.126 CC(C)CCOCC1CC1 34a_100000211283_100000210312 [0,1,0,1,0,0|1,0,1]=4 17059 B10R1.126 CC(C)CCOCC1CC1 7a_100000210254_100000742324 [0,1,0,1,0,0|1,0,1]=4 17060 B10R1.126 CC(C)CCSCC1CC1 62a_100000210312_100000742324 [0,1,0,1,0,0|1,0,1]=4 17061 B10R1.126 CC(C)CCSCC1CC1 62a_100000756562_100000210312 [0,1,0,1,0,0|1,0,1]=4 17062 B10R1.126 CC(C)CNCCC1CC1 2230a_100000210953_100000694398 [0,1,0,1,0,0|1,0,1]=4 17063 B10R1.126 CC(C)CNCCC1CC1 270004a_100000764129_100000210432 [0,1,0,1,0,0|1,0,1]=4 17064 B10R1.126 CC(C)CNCCC1CC1 34a_100000210953_100000694398 [0,1,0,1,0,0|1,0,1]=4 17065 B10R1.126 CC(C)CNCCC1CC1 34a_100000764129_100000210624 [0,1,0,1,0,0|1,0,1]=4 17066 B10R1.126 CC(C)COCCC1CC1 34a_100000210257_100000694398 [0,1,0,1,0,0|1,0,1]=4 17067 B10R1.126 CC(C)COCCC1CC1 34a_100000754188_100000210624 [0,1,0,1,0,0|1,0,1]=4 17068 B10R1.126 CC(C)COCCC1CC1 7a_100000754188_100000210760 [0,1,0,1,0,0|1,0,1]=4 17069 B10R1.126 CC(C)CSCCC1CC1 62a_100000210624_100000764125 [0,1,0,1,0,0|1,0,1]=4 17070 B10R1.126 CC(C)CSCCC1CC1 62a_100000764125_100000210760 [0,1,0,1,0,0|1,0,1]=4 17071 B10R1.126 CC(F)COCCC1CC1 34a_100015925927_100000694398 [0,1,0,1,0,0|1,0,1]=4 17072 B10R1.126 CC(O)CCCNC1CC1 34a_100000212008_200000718107 [0,1,0,1,0,0|0,0,2]=4 17073 B10R1.126 CC(O)CCCSC1CC1 62a_200000718107_100000211595 [0,1,0,1,0,0|0,0,2]=4 17074 B10R1.126 CC(O)CCNCC1CC1 2230a_100000735609_100012276601 [0,1,0,1,0,0|0,0,2]=4 17075 B10R1.126 CC(O)CCNCC1CC1 2230a_200000755665_100000742324 [0,1,0,1,0,0|0,0,2]=4 17076 B10R1.126 CC(O)CCNCC1CC1 269862a_200000755665_100000741477 [0,1,0,1,0,0|0,0,2]=4 17077 B10R1.126 CC(O)CCNCC1CC1 34a_100000735609_100012276601 [0,1,0,1,0,0|0,0,2]=4 17078 B10R1.126 CC(O)CCOCC1CC1 34a_100000211283_100012276601 [0,1,0,1,0,0|0,0,2]=4 17079 B10R1.126 CC(O)CCSCC1CC1 62a_100000756562_100012276601 [0,1,0,1,0,0|0,0,2]=4 17080 B10R1.126 CC(O)CCSCC1CC1 62a_100012276601_100000742324 [0,1,0,1,0,0|0,0,2]=4 17081 B10R1.126 CC(O)CNCCC1CC1 2230a_100000210904_100000694398 [0,1,0,1,0,0|0,0,2]=4 17082 B10R1.126 CC(O)CNCCC1CC1 34a_100000210904_100000694398 [0,1,0,1,0,0|0,0,2]=4 17083 B10R1.126 CC(O)CNCCC1CC1 34a_100000764129_100011218427 [0,1,0,1,0,0|0,0,2]=4 17084 B10R1.126 CC(O)COCCC1CC1 34a_100000754188_100011218427 [0,1,0,1,0,0|0,0,2]=4 17085 B10R1.126 CC(O)COCCC1CC1 7a_100000754188_100011218427 [0,1,0,1,0,0|0,0,2]=4 17086 B10R1.126 CC(O)CSCCC1CC1 62a_100000764125_100011218427 [0,1,0,1,0,0|0,0,2]=4 17087 B10R1.126 CC(O)CSCCC1CC1 62a_100011218427_100000764125 [0,1,0,1,0,0|0,0,2]=4 17088 B10R1.126 CN(C)CCNCC1CC1 269862a_100000210585_100000741477 [0,1,0,1,0,0|2,0,0]=4 17089 B10R1.126 CN(C)CCSCC1CC1 62a_100000756562_100000755713 [0,1,0,1,0,0|2,0,0]=4 17090 B10R1.126 C[C@@H](Cl)COCCC1CC1 34a_100016084084_100000694398 [0,1,0,1,0,0|1,0,1]=4 17091 B10R1.126 C[C@@H](N)CCOCC1CC1 34a_100000706166_100000742324 [0,1,0,1,0,0|1,0,1]=4 17092 B10R1.126 C[C@@H](N)COCCC1CC1 34a_100000737577_100000694398 [0,1,0,1,0,0|1,0,1]=4 17093 B10R1.126 C[C@@H](O)CNCCC1CC1 34a_100000764129_100009817552 [0,1,0,1,0,0|0,0,2]=4 17094 B10R1.126 C[C@@H](O)COCCC1CC1 34a_100000754188_100009817552 [0,1,0,1,0,0|0,0,2]=4 17095 B10R1.126 C[C@@H](O)COCCC1CC1 7a_100000754188_100009817552 [0,1,0,1,0,0|0,0,2]=4 17096 B10R1.126 C[C@@H](O)CSCCC1CC1 62a_100000764125_100009817552 [0,1,0,1,0,0|0,0,2]=4 17097 B10R1.126 C[C@@H](O)CSCCC1CC1 62a_100009817552_100000764125 [0,1,0,1,0,0|0,0,2]=4 17098 B10R1.126 NC(=O)CCCNC1CC1 34a_100000212008_100102525003 [0,1,0,1,0,0|1,0,0]=3 17099 B10R1.126 NC(=O)CCCNC1CC1 34a_100000739312_100000211595 [0,1,0,1,0,0|1,0,0]=3 17100 B10R1.126 NC(=O)CCCSC1CC1 62a_100102525003_100000211595 [0,1,0,1,0,0|1,0,0]=3 17101 B10R1.126 NC(=O)CCNCC1CC1 2230a_100000735609_100000744528 [0,1,0,1,0,0|1,0,0]=3 17102 B10R1.126 NC(=O)CCNCC1CC1 269862a_100000740010_100000741477 [0,1,0,1,0,0|1,0,0]=3 17103 B10R1.126 NC(=O)CCNCC1CC1 34a_100000735609_100000731001 [0,1,0,1,0,0|1,0,0]=3 17104 B10R1.126 NC(=O)CCOCC1CC1 34a_100000211283_100000731001 [0,1,0,1,0,0|1,0,0]=3 17105 B10R1.126 NC(=O)CCOCC1CC1 34a_100000757172_100000742324 [0,1,0,1,0,0|1,0,0]=3 17106 B10R1.126 NC(=O)CCOCC1CC1 7a_100000757172_100000742324 [0,1,0,1,0,0|1,0,0]=3 17107 B10R1.126 NC(=O)CCOCC1CO1 34a_100000757172_102125554688 [0,1,0,1,0,0|2,0,0]=4 17108 B10R1.126 NC(=O)CCOCC1CO1 7a_100000757172_102125554688 [0,1,0,1,0,0|2,0,0]=4 17109 B10R1.126 NC(=O)CCOCC1CS1 7a_100000757172_100000031435 [0,1,0,1,0,0|2,0,0]=4 17110 B10R1.126 NC(=O)CCOC[C@@H]1CO1 34a_100000757423_100000731001 [0,1,0,1,0,0|2,0,0]=4 17111 B10R1.126 NC(=O)CCOC[C@@H]1CO1 7a_100000757172_100000745022 [0,1,0,1,0,0|2,0,0]=4 17112 B10R1.126 NC(=O)CCSCC1CC1 62a_100000744528_100000742324 [0,1,0,1,0,0|1,0,0]=3 17113 B10R1.126 NC(=O)CCSCC1CC1 62a_100000756562_100000744528 [0,1,0,1,0,0|1,0,0]=3 17114 B10R1.126 NC(=O)CCSCC1CO1 62a_100000744528_102125554688 [0,1,0,1,0,0|2,0,0]=4 17115 B10R1.126 NC(=O)CCSCC1CO1 62a_102125554688_100000744528 [0,1,0,1,0,0|2,0,0]=4 17116 B10R1.126 NC(=O)CCSCC1CS1 62a_100000031435_100000744528 [0,1,0,1,0,0|2,0,0]=4 17117 B10R1.126 NC(=O)CCSCC1CS1 62a_100000744528_100000031435 [0,1,0,1,0,0|2,0,0]=4 17118 B10R1.126 NC(=O)CCSC[C@@H]1CO1 62a_100000744528_100000745022 [0,1,0,1,0,0|2,0,0]=4 17119 B10R1.126 NC(=O)CCSC[C@@H]1CO1 62a_100000745022_100000744528 [0,1,0,1,0,0|2,0,0]=4 17120 B10R1.126 NC(=O)CNCCC1CC1 2230a_100000711301_100000694398 [0,1,0,1,0,0|1,0,0]=3 17121 B10R1.126 NC(=O)CNCCC1CC1 34a_100000764129_100000187820 [0,1,0,1,0,0|1,0,0]=3 17122 B10R1.126 NC(=O)CNCCC1CO1 2230a_100000711301_100000732470 [0,1,0,1,0,0|2,0,0]=4 17123 B10R1.126 NC(=O)COCCC1CC1 34a_100000754188_100000187820 [0,1,0,1,0,0|1,0,0]=3 17124 B10R1.126 NC(=O)COCCC1CC1 7a_100000754188_100000187820 [0,1,0,1,0,0|1,0,0]=3 17125 B10R1.126 NC(=O)COCC[C@@H]1CO1 34a_100009820653_100000187820 [0,1,0,1,0,0|2,0,0]=4 17126 B10R1.126 NC(=O)CSCCC1CC1 62a_100000747473_100000764125 [0,1,0,1,0,0|1,0,0]=3 17127 B10R1.126 NC(=O)CSCCC1CC1 62a_100000764125_100000747473 [0,1,0,1,0,0|1,0,0]=3 17128 B10R1.126 NC(=O)CSCCC1CO1 62a_100000732470_100000747473 [0,1,0,1,0,0|2,0,0]=4 17129 B10R1.126 NC(=O)CSCCC1CO1 62a_100000747473_100000732470 [0,1,0,1,0,0|2,0,0]=4 17130 B10R1.126 NC(=O)NCCNC1CC1 34a_100020590234_100000211595 [0,1,0,1,0,0|2,0,0]=4 17131 B10R1.126 NC(=O)NCCOC1CC1 34a_100000181757_100000211595 [0,1,0,1,0,0|2,0,0]=4 17132 B10R1.126 NC(=O)NCCSC1CC1 62a_200000034859_100000211595 [0,1,0,1,0,0|2,0,0]=4 17133 B10R1.126 NC(=O)OCCNC1CC1 34a_100000212008_200011214921 [0,1,0,1,0,0|2,0,0]=4 17134 B10R1.126 NC(=O)OCCSC1CC1 62a_200011214921_100000211595 [0,1,0,1,0,0|2,0,0]=4 17135 B10R1.126 O=C(O)CNCCC1CC1 269956a_100016091260_100000694398 [0,1,0,1,0,0|1,0,0]=3 17136 B10R1.126 O=C(O)CNCCC1CO1 269956a_100016091260_100000732470 [0,1,0,1,0,0|2,0,0]=4 17137 B10R1.126 O=C(O)CONCC1CC1 269956a_100000106656_100000742324 [0,1,0,1,0,0|2,0,0]=4 17138 B10R1.126 O=C([O-])CNCCC1CC1 34a_100000764129_100020667443 [0,1,0,1,0,0|1,0,0]=3 17139 B10R1.126 O=C([O-])COCCC1CC1 34a_100000754188_100020667443 [0,1,0,1,0,0|1,0,0]=3 17140 B10R1.126 O=C([O-])COCC[C@@H]1CO1 34a_100009820653_100020667443 [0,1,0,1,0,0|2,0,0]=4 17141 B10R1.126 O=C([O-])CSCCC1CC1 62a_100000764125_100020667443 [0,1,0,1,0,0|1,0,0]=3 17142 B10R1.126 O=C([O-])CSCCC1CC1 62a_100020667443_100000764125 [0,1,0,1,0,0|1,0,0]=3 17143 B10R1.126 O=C([O-])CSCCC1CO1 62a_100000732470_100020667443 [0,1,0,1,0,0|2,0,0]=4 17144 B10R1.126 O=C([O-])CSCCC1CO1 62a_100020667443_100000732470 [0,1,0,1,0,0|2,0,0]=4 17145 B10R1.126 O=[N+]([O-])CCCOC1CC1 34a_200000037920_100000211595 [0,1,0,1,0,0|2,0,0]=4 17146 B10R1.126 O=[N+]([O-])CNCCC1CC1 34a_100000764129_100000761209 [0,1,0,1,0,0|2,0,0]=4 17147 B10R1.126 O=[N+]([O-])COCCC1CC1 34a_100000754188_100000761209 [0,1,0,1,0,0|2,0,0]=4 17148 B10R1.126 O=[N+]([O-])CSCCC1CC1 62a_100000764125_100000761209 [0,1,0,1,0,0|2,0,0]=4 17149 B10R1.133 CCCN1CCCC1(C)C 2230a_100000761399_100000210303 [0,1,0,1,0,0|1,0,1]=4 17150 B10R1.133 CCCN1CCCC1(C)C 269982a_100000761399_100000210303 [0,1,0,1,0,0|1,0,1]=4 17151 B10R1.133 CCCN1CCCC1(C)C 34a_100000761399_100000210303 [0,1,0,1,0,0|1,0,1]=4 17152 B10R1.133 CCNC1CCCC1(C)C 269862a_100015525214_100000065263 [0,1,0,1,0,0|1,0,1]=4 17153 B10R1.133 CCN[C@@H]1CCC[C@@]1(C)O 2230a_100015977457_100000210202 [0,1,0,1,0,0|0,0,2]=4 17154 B10R1.133 CCN[C@@H]1CCC[C@@]1(C)O 34a_100015977457_100000210202 [0,1,0,1,0,0|0,0,2]=4 17155 B10R1.133 CCOC1CCCC1(C)C 34a_100000726220_100000210202 [0,1,0,1,0,0|1,0,1]=4 17156 B10R1.133 CCOC1CCCC1(C)C 7a_100000726220_100000210202 [0,1,0,1,0,0|1,0,1]=4 17157 B10R1.162 CCN1CCCCC(C1)O 2230a_100025706797_100000210202 [0,1,0,1,0,0|0,0,2]=4 17158 B10R1.162 CCN1CCCCC(C1)O 269982a_100025706797_100000204670 [0,1,0,1,0,0|0,0,2]=4 17159 B10R1.162 CCN1CCCNC(=O)C1 2230a_100015190381_100000210202 [0,1,0,1,0,0|1,0,0]=3 17160 B10R1.177 CCCCCCNC1CC1 34a_100000212008_100000210314 [0,1,0,1,0,0|1,0,1]=4 17161 B10R1.177 CCCCCCOC1CC1 34a_100000210259_100000211595 [0,1,0,1,0,0|1,0,1]=4 17162 B10R1.177 CCCCCCSC1CC1 62a_100000210314_100000211595 [0,1,0,1,0,0|1,0,1]=4 17163 B10R1.177 CCCCCNCC1CC1 2230a_100000209983_100000742324 [0,1,0,1,0,0|1,0,1]=4 17164 B10R1.177 CCCCCNCC1CC1 2230a_100000735609_100000210326 [0,1,0,1,0,0|1,0,1]=4 17165 B10R1.177 CCCCCNCC1CC1 269862a_100000209983_100000741477 [0,1,0,1,0,0|1,0,1]=4 17166 B10R1.177 CCCCCNCC1CC1 34a_100000735609_100000718602 [0,1,0,1,0,0|1,0,1]=4 17167 B10R1.177 CCCCCNCC1CO1 2230a_100000209983_100011216344 [0,1,0,1,0,0|0,0,2]=4 17168 B10R1.177 CCCCCOCC1CC1 34a_100000210253_100000742324 [0,1,0,1,0,0|1,0,1]=4 17169 B10R1.177 CCCCCOCC1CC1 34a_100000211283_100000718602 [0,1,0,1,0,0|1,0,1]=4 17170 B10R1.177 CCCCCOCC1CC1 7a_100000210253_100000742324 [0,1,0,1,0,0|1,0,1]=4 17171 B10R1.177 CCCCCOCC1CO1 34a_100000210253_102125554688 [0,1,0,1,0,0|0,0,2]=4 17172 B10R1.177 CCCCCOCC1CO1 7a_100000210253_102125554688 [0,1,0,1,0,0|0,0,2]=4 17173 B10R1.177 CCCCCOCC1CS1 7a_100000210253_100000031435 [0,1,0,1,0,0|0,1,1]=4 17174 B10R1.177 CCCCCOC[C@@H]1CO1 34a_100000757423_100000718602 [0,1,0,1,0,0|0,0,2]=4 17175 B10R1.177 CCCCCOC[C@@H]1CO1 7a_100000210253_100000745022 [0,1,0,1,0,0|0,0,2]=4 17176 B10R1.177 CCCCCSCC1CC1 62a_100000210326_100000742324 [0,1,0,1,0,0|1,0,1]=4 17177 B10R1.177 CCCCCSCC1CC1 62a_100000756562_100000210326 [0,1,0,1,0,0|1,0,1]=4 17178 B10R1.177 CCCCCSCC1CO1 62a_100000210326_102125554688 [0,1,0,1,0,0|0,0,2]=4 17179 B10R1.177 CCCCCSCC1CO1 62a_102125554688_100000210326 [0,1,0,1,0,0|0,0,2]=4 17180 B10R1.177 CCCCCSCC1CS1 62a_100000031435_100000210326 [0,1,0,1,0,0|0,1,1]=4 17181 B10R1.177 CCCCCSCC1CS1 62a_100000210326_100000031435 [0,1,0,1,0,0|0,1,1]=4 17182 B10R1.177 CCCCCSC[C@@H]1CO1 62a_100000210326_100000745022 [0,1,0,1,0,0|0,0,2]=4 17183 B10R1.177 CCCCCSC[C@@H]1CO1 62a_100000745022_100000210326 [0,1,0,1,0,0|0,0,2]=4 17184 B10R1.177 CCCCNCCC1CC1 2230a_100000102301_100000694398 [0,1,0,1,0,0|1,0,1]=4 17185 B10R1.177 CCCCNCCC1CC1 34a_100000764129_100000210210 [0,1,0,1,0,0|1,0,1]=4 17186 B10R1.177 CCCCNCCC1CC1 7a_106832991798_100000764125 [0,1,0,1,0,0|1,0,1]=4 17187 B10R1.177 CCCCNCCC1CO1 2230a_100000102301_100000732470 [0,1,0,1,0,0|0,0,2]=4 17188 B10R1.177 CCCCNCCC1CO1 7a_106832991798_100000732470 [0,1,0,1,0,0|0,0,2]=4 17189 B10R1.177 CCCCOCCC1CC1 34a_100000210227_100000694398 [0,1,0,1,0,0|1,0,1]=4 17190 B10R1.177 CCCCOCCC1CC1 34a_100000754188_100000210210 [0,1,0,1,0,0|1,0,1]=4 17191 B10R1.177 CCCCOCCC1CC1 7a_100000210227_100000764125 [0,1,0,1,0,0|1,0,1]=4 17192 B10R1.177 CCCCOCCC1CC1 7a_100000754188_100000210211 [0,1,0,1,0,0|1,0,1]=4 17193 B10R1.177 CCCCOCCC1CO1 34a_100000210227_100000732470 [0,1,0,1,0,0|0,0,2]=4 17194 B10R1.177 CCCCOCCC1CO1 7a_100000210227_100000732470 [0,1,0,1,0,0|0,0,2]=4 17195 B10R1.177 CCCCOCC[C@@H]1CO1 34a_100009820653_100000210210 [0,1,0,1,0,0|0,0,2]=4 17196 B10R1.177 CCCCSCCC1CC1 62a_100000210211_100000764125 [0,1,0,1,0,0|1,0,1]=4 17197 B10R1.177 CCCCSCCC1CC1 62a_100000764125_100000210210 [0,1,0,1,0,0|1,0,1]=4 17198 B10R1.177 CCCCSCCC1CO1 62a_100000210211_100000732470 [0,1,0,1,0,0|0,0,2]=4 17199 B10R1.177 CCCCSCCC1CO1 62a_100000732470_100000210210 [0,1,0,1,0,0|0,0,2]=4 17200 B10R1.177 CCCOCCCC1CO1 34a_100000210258_100000733510 [0,1,0,1,0,0|0,0,2]=4 17201 B10R1.177 CCCSCCCC1CO1 62a_100000210303_100000733510 [0,1,0,1,0,0|0,0,2]=4 17202 B10R1.177 CCCSCCCC1CO1 62a_100000733510_100000210303 [0,1,0,1,0,0|0,0,2]=4 17203 B10R1.348 CC(=O)C1CCC=CCC1 1458a_100000048548_200000210301 [0,1,0,1,0,0|0,0,1]=3 17204 B10R1.348 CC(=O)C1CCCCCC1 1458a_100000070787_100011217769 [0,1,0,1,0,0|0,0,0]=2 17205 B10R1.348 CC(=O)C1CCCCCC1 1458a_100000749507_200000210301 [0,1,0,1,0,0|0,0,0]=2 17206 B10R1.348 CC(=O)N1CCCCCC1 11a_100000185865_100015343762 [0,1,0,1,0,0|0,0,0]=2 17207 B10R1.348 CC(=O)N1CCCCCC1 1626a_100000185865_100015343762 [0,1,0,1,0,0|0,0,0]=2 17208 B10R1.348 CC(=O)N1CCCCCC1 240690a_100000185865_100015343762 [0,1,0,1,0,0|0,0,0]=2 17209 B10R1.348 CC(=O)N1CCCCCC1 527a_100000185865_100103153847 [0,1,0,1,0,0|0,0,0]=2 17210 B10R1.348 CC(=O)N1CCCOCC1 11a_100000685342_100015343762 [0,1,0,1,0,0|1,0,0]=3 17211 B10R1.348 CC(=O)N1CCCOCC1 1626a_100000685342_100015343762 [0,1,0,1,0,0|1,0,0]=3 17212 B10R1.348 CC(=O)N1CCCOCC1 240690a_100000685342_100015343762 [0,1,0,1,0,0|1,0,0]=3 17213 B10R1.348 CC(=O)N1CCCOCC1 527a_100000685342_100103153847 [0,1,0,1,0,0|1,0,0]=3 17214 B10R1.348 CC(C)N1CCCCCC1 2230a_100000185865_100000210206 [0,1,0,1,0,0|1,0,1]=4 17215 B10R1.348 CC(C)N1CCCCCC1 269982a_100000185865_100000210206 [0,1,0,1,0,0|1,0,1]=4 17216 B10R1.348 CC(C)N1CCCCCC1 34a_100000185865_100000210206 [0,1,0,1,0,0|1,0,1]=4 17217 B10R1.348 CN(C)C1CCCCCC1 2230a_100015185097_200000210301 [0,1,0,1,0,0|2,0,0]=4 17218 B10R1.348 CN(C)C1CCCCCC1 269982a_100015185097_200000210301 [0,1,0,1,0,0|2,0,0]=4 17219 B10R1.348 CN(C)C1CCCCCC1 269982a_100102631434_100011217769 [0,1,0,1,0,0|2,0,0]=4 17220 B10R1.348 CN(C)C1CCCCCC1 270004a_100102631434_100000210131 [0,1,0,1,0,0|2,0,0]=4 17221 B10R1.348 CN(C)C1CCCCCC1 34a_100015185097_200000210301 [0,1,0,1,0,0|2,0,0]=4 17222 B10R1.348 CN(C)C1CCCNCC1 270004a_100102631434_100015187895 [0,1,0,1,0,0|2,0,0]=4 17223 B10R1.348 CN([13CH3])C1CCCCCC1 2230a_100015185097_200025704644 [0,1,0,1,0,0|2,0,0]=4 17224 B10R1.348 CN([13CH3])C1CCCCCC1 269982a_100015185097_200025704644 [0,1,0,1,0,0|2,0,0]=4 17225 B10R1.348 CN([13CH3])C1CCCCCC1 34a_100015185097_200025704644 [0,1,0,1,0,0|2,0,0]=4 17226 B10R1.348 [13CH3]C(=O)C1CCC=CCC1 1458a_100000048548_200025704644 [0,1,0,1,0,0|0,0,1]=3 17227 B10R1.348 [13CH3]C(=O)C1CCCCCC1 1458a_100000749507_200025704644 [0,1,0,1,0,0|0,0,0]=2 17228 B10R1.375 CCCOCC1CC1(C)C 34a_100000728257_100000210303 [0,1,0,1,0,0|1,0,1]=4 17229 B10R1.375 CCCOCC1CC1(C)C 7a_100000728257_100000210303 [0,1,0,1,0,0|1,0,1]=4 17230 B10R1.110 C=C(C)CC(=O)C1CC1C 1458a_100000211227_100000748629 [0,1,0,1,0,0|1,0,1]=4 17231 B10R1.110 CC1CC1C(=O)CC(=O)N 1458a_100000211227_100000187820 [0,1,0,1,0,0|1,0,1]=4 17232 B10R1.110 CC1CC1C(=O)CC(=O)[O-] 1458a_100000211227_100020667443 [0,1,0,1,0,0|1,0,1]=4 17233 B10R1.192 CC(=O)N1C(CCC1C)C 11a_100000687148_100015343762 [0,1,0,1,0,0|1,0,0]=3 17234 B10R1.192 CC(=O)N1C(CCC1C)C 240690a_100000687148_100015343762 [0,1,0,1,0,0|1,0,0]=3 17235 B10R1.192 CC(=O)N1C(CCC1C)C 527a_100000687148_100103153847 [0,1,0,1,0,0|1,0,0]=3 17236 B10R1.218 CCCNC1CS(=O)(=O)C1 2230a_100000695474_100000210303 [0,1,0,1,0,0|2,0,0]=4 17237 B10R1.218 CCCNC1CS(=O)(=O)C1 34a_100000695474_100000210303 [0,1,0,1,0,0|2,0,0]=4 17238 B10R1.218 CCCOC1CS(=O)(=O)C1 34a_100000072295_100000210303 [0,1,0,1,0,0|2,0,0]=4 17239 B10R1.218 CCCOC1CS(=O)(=O)C1 7a_100000072295_100000210303 [0,1,0,1,0,0|2,0,0]=4 17240 B10R1.266 C=C(C)CC(=O)C1CCC1 1458a_100000209988_100000748629 [0,1,0,1,0,0|1,0,1]=4 17241 B10R1.266 C=C(C)CN(C)C1CCC1 2230a_100000758072_100000748629 [0,1,0,1,0,0|2,0,0]=4 17242 B10R1.266 C=C(C)CN(C)C1CCC1 269982a_100000225649_100000749161 [0,1,0,1,0,0|2,0,0]=4 17243 B10R1.266 C=C(C)CN(C)C1CCC1 269982a_100000758072_100000748629 [0,1,0,1,0,0|2,0,0]=4 17244 B10R1.266 C=C(C)CN(C)C1CCC1 270004a_100000225649_100000241760 [0,1,0,1,0,0|2,0,0]=4 17245 B10R1.266 C=C(C)CN(C)C1CCC1 34a_100000758072_100000748629 [0,1,0,1,0,0|2,0,0]=4 17246 B10R1.266 CC(=O)CC(=O)C1CCC1 1458a_100000070787_100000686122 [0,1,0,1,0,0|0,0,1]=3 17247 B10R1.266 CC(=O)CC(=O)N1CCC1 1458a_100000070787_100000185095 [0,1,0,1,0,0|1,0,1]=4 17248 B10R1.266 CC(=O)NC(C)C1CCC1 11a_100016994624_100015343762 [0,1,0,1,0,0|1,0,0]=3 17249 B10R1.266 CC(=O)NC(C)C1CCC1 1626a_100016994624_100015343762 [0,1,0,1,0,0|1,0,0]=3 17250 B10R1.266 CC(=O)NC(C)C1CCC1 240690a_100016994624_100015343762 [0,1,0,1,0,0|1,0,0]=3 17251 B10R1.266 CC(=O)NC(C)C1CCC1 527a_100016994624_100103153847 [0,1,0,1,0,0|1,0,0]=3 17252 B10R1.266 CC(=O)OC(C)N1CCC1 269982a_100000754969_100009818208 [0,1,0,1,0,0|2,0,0]=4 17253 B10R1.266 CN(CC(=O)N)C1CCC1 2230a_100000758072_100000747473 [0,1,0,1,0,0|2,0,0]=4 17254 B10R1.266 CN(CC(=O)N)C1CCC1 269982a_100000758072_100000187820 [0,1,0,1,0,0|2,0,0]=4 17255 B10R1.266 CN(CC(=O)N)C1CCC1 270004a_100000739694_100000241760 [0,1,0,1,0,0|2,0,0]=4 17256 B10R1.266 CN(CC(=O)N)C1CCC1 34a_100000758072_100000187820 [0,1,0,1,0,0|2,0,0]=4 17257 B10R1.266 CN(CC(=O)O)C1CCC1 269956a_100000746989_100000749161 [0,1,0,1,0,0|2,0,0]=4 17258 B10R1.266 CN(CC(=O)[O-])C1CCC1 269982a_100000758072_100020667443 [0,1,0,1,0,0|2,0,0]=4 17259 B10R1.266 CN(CC(=O)[O-])C1CCC1 34a_100000758072_100020667443 [0,1,0,1,0,0|2,0,0]=4 17260 B10R1.266 NC(=O)CC(=O)C1CCC1 1458a_100000209988_100000187820 [0,1,0,1,0,0|1,0,1]=4 17261 B10R1.266 NC(=O)CC(=O)C1CCC1 1458a_100134613110_100000749161 [0,1,0,1,0,0|1,0,1]=4 17262 B10R1.266 O=C([O-])CC(=O)C1CCC1 1458a_100000209988_100020667443 [0,1,0,1,0,0|1,0,1]=4 17263 B10R1.268 C=C(C)CC(=O)CC1CC1 1458a_100000738066_100000748629 [0,1,0,1,0,0|1,0,1]=4 17264 B10R1.268 C=C(C)CN(C)CC1CC1 2230a_100000225649_100000742324 [0,1,0,1,0,0|2,0,0]=4 17265 B10R1.268 C=C(C)CN(C)CC1CC1 2230a_100000741881_100000748629 [0,1,0,1,0,0|2,0,0]=4 17266 B10R1.268 C=C(C)CN(C)CC1CC1 269982a_100000225649_100000756562 [0,1,0,1,0,0|2,0,0]=4 17267 B10R1.268 C=C(C)CN(C)CC1CC1 269982a_100000741881_100000748629 [0,1,0,1,0,0|2,0,0]=4 17268 B10R1.268 CC(=O)CC(=O)NC1CC1 1458a_100000070787_100000182950 [0,1,0,1,0,0|1,0,1]=4 17269 B10R1.268 CC(=O)CS(=O)CC1CC1 1458a_100011387478_200000210301 [0,1,0,1,0,0|1,0,0]=3 17270 B10R1.268 CC(=O)OC(C)SC1CC1 62a_100009818208_100000211595 [0,1,0,1,0,0|2,0,0]=4 17271 B10R1.268 CN(CC(=O)N)CC1CC1 2230a_100000739694_100000742324 [0,1,0,1,0,0|2,0,0]=4 17272 B10R1.268 CN(CC(=O)N)CC1CC1 2230a_100000741881_100000747473 [0,1,0,1,0,0|2,0,0]=4 17273 B10R1.268 CN(CC(=O)N)CC1CC1 269982a_100000741881_100000187820 [0,1,0,1,0,0|2,0,0]=4 17274 B10R1.268 CN(CC(=O)O)CC1CC1 269956a_100000746989_100000742324 [0,1,0,1,0,0|2,0,0]=4 17275 B10R1.268 CN(CC(=O)[O-])CC1CC1 269982a_100000741881_100020667443 [0,1,0,1,0,0|2,0,0]=4 17276 B10R1.268 NC(=O)CC(=O)CC1CC1 1458a_100000738066_100000187820 [0,1,0,1,0,0|1,0,1]=4 17277 B10R1.268 NC(=O)CC(=O)CC1CC1 1458a_100134613110_100000742324 [0,1,0,1,0,0|1,0,1]=4 17278 B10R1.268 O=C([O-])CC(=O)CC1CC1 1458a_100000738066_100020667443 [0,1,0,1,0,0|1,0,1]=4 17279 B10R1.268 [13CH3]C(=O)CS(=O)CC1CC1 1458a_100011387478_200025704644 [0,1,0,1,0,0|1,0,0]=3 17280 B10R1.370 CC(=O)CC1(OCCO1)C 1458a_100000137474_200000210301 [0,1,0,1,0,0|2,0,0]=4 17281 B10R1.370 CC(=O)NC1(CCOC1)C 11a_100000693475_100015343762 [0,1,0,1,0,0|2,0,0]=4 17282 B10R1.370 CC(=O)NC1(CCOC1)C 1626a_100000693475_100015343762 [0,1,0,1,0,0|2,0,0]=4 17283 B10R1.370 CC(=O)NC1(CCOC1)C 240690a_100000693475_100015343762 [0,1,0,1,0,0|2,0,0]=4 17284 B10R1.370 CC(=O)NC1(CCOC1)C 527a_100000693475_100103153847 [0,1,0,1,0,0|2,0,0]=4 17285 B10R1.370 CC1(OCCO1)CC(=O)[13CH3] 1458a_100000137474_200025704644 [0,1,0,1,0,0|2,0,0]=4 17286 B10R1.65 C[C@@H]1CCCN1S(=O)(=O)C 40a_100015189458_100000738038 [0,1,0,1,0,0|2,0,0]=4 17287 B10R1.95 CCNC1CCS(=O)(=O)C1 2230a_100000683523_100000210202 [0,1,0,1,0,0|2,0,0]=4 17288 B10R1.95 CCNC1CCS(=O)(=O)C1 34a_100000683523_100000210202 [0,1,0,1,0,0|2,0,0]=4 17289 B10R1.95 CCOC1CCS(=O)(=O)C1 34a_100000186101_100000210202 [0,1,0,1,0,0|2,0,0]=4 17290 B10R1.95 CCOC1CCS(=O)(=O)C1 7a_100000186101_100000210202 [0,1,0,1,0,0|2,0,0]=4 17291 B10R1.95 CNCC1CCS(=O)(=O)C1 2230a_100000737051_200000210301 [0,1,0,1,0,0|2,0,0]=4 17292 B10R1.95 CNCC1CCS(=O)(=O)C1 34a_100000737051_200000210301 [0,1,0,1,0,0|2,0,0]=4 17293 B10R1.95 [13CH3]NCC1CCS(=O)(=O)C1 2230a_100000737051_200025704644 [0,1,0,1,0,0|2,0,0]=4 17294 B10R1.95 [13CH3]NCC1CCS(=O)(=O)C1 34a_100000737051_200025704644 [0,1,0,1,0,0|2,0,0]=4 17295 B10R1.209 CS(=O)(=O)CCN1CCC1 269982a_100000754969_100000731031 [0,1,0,1,0,0|2,0,0]=4 17296 B10R1.209 CS(=O)(=O)NCC1CCC1 40a_100000738700_100000738038 [0,1,0,1,0,0|2,0,0]=4 17297 B10R1.210 CS(=O)(=O)CCNC1CC1 34a_100000212008_100000731031 [0,1,0,1,0,0|2,0,0]=4 17298 B10R1.210 CS(=O)(=O)CCNC1CC1 34a_100000740961_100000211595 [0,1,0,1,0,0|2,0,0]=4 17299 B10R1.210 CS(=O)(=O)CCOC1CC1 34a_100000211924_100000211595 [0,1,0,1,0,0|2,0,0]=4 17300 B10R1.210 CS(=O)(=O)CCSC1CC1 62a_100000731031_100000211595 [0,1,0,1,0,0|2,0,0]=4 17301 B10R1.210 CS(=O)(=O)NCCC1CC1 40a_100000764129_100000738038 [0,1,0,1,0,0|2,0,0]=4 17302 B10R1.281 CS(=O)(=O)NC1CCCC1 40a_100000211070_100000738038 [0,1,0,1,0,0|2,0,0]=4 17303 B10R1.1 C=C1CCC(CC1)COC 34a_100000074039_200000210301 [0,1,0,1,0,0|2,0,0]=4 17304 B10R1.1 C=C1CCC(CC1)CO[13CH3] 34a_100000074039_200025704644 [0,1,0,1,0,0|2,0,0]=4 17305 B10R1.1 C=C1CCC(CC1)NCC 270004a_100015525214_100010272673 [0,1,0,1,0,0|2,0,0]=4 17306 B10R1.1 C=C1CCN(CC1)CCC 2230a_100000752442_100000210303 [0,1,0,1,0,0|2,0,0]=4 17307 B10R1.1 C=C1CCN(CC1)CCC 269982a_100000752442_100000210303 [0,1,0,1,0,0|2,0,0]=4 17308 B10R1.1 C=C1CCN(CC1)CCC 34a_100000752442_100000210303 [0,1,0,1,0,0|2,0,0]=4 17309 B10R1.1 CCCC1CCN(CC1)C 2230a_100015355601_200000210301 [0,1,0,1,0,0|2,0,0]=4 17310 B10R1.1 CCCC1CCN(CC1)C 269982a_100015355601_200000210301 [0,1,0,1,0,0|2,0,0]=4 17311 B10R1.1 CCCC1CCN(CC1)C 34a_100015355601_200000210301 [0,1,0,1,0,0|2,0,0]=4 17312 B10R1.1 CCCC1CCN(CC1)[13CH3] 2230a_100015355601_200025704644 [0,1,0,1,0,0|2,0,0]=4 17313 B10R1.1 CCCC1CCN(CC1)[13CH3] 269982a_100015355601_200025704644 [0,1,0,1,0,0|2,0,0]=4 17314 B10R1.1 CCCC1CCN(CC1)[13CH3] 34a_100015355601_200025704644 [0,1,0,1,0,0|2,0,0]=4 17315 B10R1.1 CCCN1CC=C(CC1)C 2230a_100000693516_100000210303 [0,1,0,1,0,0|2,0,0]=4 17316 B10R1.1 CCCN1CC=C(CC1)C 269982a_100000693516_100000210303 [0,1,0,1,0,0|2,0,0]=4 17317 B10R1.1 CCCN1CC=C(CC1)C 34a_100000693516_100000210303 [0,1,0,1,0,0|2,0,0]=4 17318 B10R1.1 CCCN1CCS(=O)CC1 2230a_100000752083_100000210303 [0,1,0,1,0,0|2,0,0]=4 17319 B10R1.1 CCCN1CCS(=O)CC1 269982a_100000752083_100000210303 [0,1,0,1,0,0|2,0,0]=4 17320 B10R1.1 CCNC1CCC(=O)NC1 2230a_100000748762_100000210202 [0,1,0,1,0,0|1,0,0]=3 17321 B10R1.1 CCNC1CCC(=O)NC1 34a_100000748762_100000210202 [0,1,0,1,0,0|1,0,0]=3 17322 B10R1.1 CCOC1CCC(=O)CC1 34a_100000764474_100000210202 [0,1,0,1,0,0|1,0,0]=3 17323 B10R1.1 CCOC1CCC(=O)CC1 7a_100000764474_100000210202 [0,1,0,1,0,0|1,0,0]=3 17324 B10R1.1 CCOC1CCC(=O)NC1 34a_100000079199_100000210202 [0,1,0,1,0,0|1,0,0]=3 17325 B10R1.1 CCOC1CNC(=O)NC1 34a_100000080929_100000210202 [0,1,0,1,0,0|2,0,0]=4 17326 B10R1.1 COCC1CCC(=O)CC1 34a_100000062911_200000210301 [0,1,0,1,0,0|1,0,0]=3 17327 B10R1.1 O=C1CCC(CC1)OCF 34a_100000764474_100015361967 [0,1,0,1,0,0|2,0,0]=4 17328 B10R1.1 O=C1CCC(CC1)OCF 7a_100000764474_100015361967 [0,1,0,1,0,0|2,0,0]=4 17329 B10R1.1 O=C1CCC(CN1)NCF 34a_100000748762_100015361967 [0,1,0,1,0,0|2,0,0]=4 17330 B10R1.1 O=C1CCC(CN1)OCF 34a_100000079199_100015361967 [0,1,0,1,0,0|2,0,0]=4 17331 B10R1.1 [13CH3]OCC1CCC(=O)CC1 34a_100000062911_200025704644 [0,1,0,1,0,0|1,0,0]=3 17332 B10R1.2 CCN1CCNC(=O)C1C 2230a_100000750721_100000210202 [0,1,0,1,0,0|2,0,0]=4 17333 B10R1.2 CCN1CCNC(=O)C1C 269982a_100000750721_100000204670 [0,1,0,1,0,0|2,0,0]=4 17334 B10R1.2 CCN1CCNC(=O)C1C 34a_100000750721_100000210202 [0,1,0,1,0,0|2,0,0]=4 17335 B10R1.15 C#CC(=O)C1CCCCC1 1458a_100000211873_100000210327 [0,1,0,1,0,0|0,0,1]=3 17336 B10R1.15 C#CC(=O)C1CCCOC1 1458a_100000211873_100000693364 [0,1,0,1,0,0|1,0,1]=4 17337 B10R1.15 C#CC(=O)C1CCOCC1 1458a_100000211873_100011324220 [0,1,0,1,0,0|1,0,1]=4 17338 B10R1.15 C=CC(=O)C1CCCCC1 1458a_100000185746_100000210327 [0,1,0,1,0,0|0,0,1]=3 17339 B10R1.15 C=CC(=O)C1CCCOC1 1458a_100000185746_100000693364 [0,1,0,1,0,0|1,0,1]=4 17340 B10R1.15 C=CC(=O)C1CCOCC1 1458a_100000185746_100011324220 [0,1,0,1,0,0|1,0,1]=4 17341 B10R1.15 CC(O[13CH3])C1CCCCC1 34a_100011216961_200025704644 [0,1,0,1,0,0|0,0,2]=4 17342 B10R1.15 CC(O[13CH3])C1CCCCC1 7a_100011216961_200025704644 [0,1,0,1,0,0|0,0,2]=4 17343 B10R1.15 CCC(=O)C1=CCCCC1 1458a_100000765259_100000210202 [0,1,0,1,0,0|0,0,2]=4 17344 B10R1.15 CCC(=O)C1C=CCCC1 1458a_100000210414_100000751183 [0,1,0,1,0,0|0,0,2]=4 17345 B10R1.15 CCC(=O)C1CCCCC1 1458a_100000210414_100000210327 [0,1,0,1,0,0|0,0,0]=2 17346 B10R1.15 CCC(=O)C1CCCCC1 1458a_100000210647_100000210202 [0,1,0,1,0,0|0,0,0]=2 17347 B10R1.15 CCC(=O)C1CCCCO1 1458a_100000748299_100000210202 [0,1,0,1,0,0|1,0,0]=3 17348 B10R1.15 CCC(=O)C1CCCOC1 1458a_100000210414_100000693364 [0,1,0,1,0,0|1,0,0]=3 17349 B10R1.15 CCC(=O)C1CCCOC1 1458a_100000741522_100000210202 [0,1,0,1,0,0|1,0,0]=3 17350 B10R1.15 CCC(=O)C1CCOCC1 1458a_100000195482_100000210202 [0,1,0,1,0,0|1,0,0]=3 17351 B10R1.15 CCC(=O)C1CCOCC1 1458a_100000210414_100011324220 [0,1,0,1,0,0|1,0,0]=3 17352 B10R1.15 CCC(=O)C1CCSCC1 1458a_100000755232_100000210202 [0,1,0,1,0,0|1,0,0]=3 17353 B10R1.15 CCC(=O)C1COCCO1 1458a_100000045528_100000210202 [0,1,0,1,0,0|2,0,0]=4 17354 B10R1.15 CCC(=O)C1SCCCS1 1458a_100000028545_100000210202 [0,1,0,1,0,0|2,0,0]=4 17355 B10R1.15 CCC(=O)N1CCCOC1 11a_100000131196_100000210414 [0,1,0,1,0,0|2,0,0]=4 17356 B10R1.15 CCC(=O)N1CCCOC1 240690a_100000131196_100000210414 [0,1,0,1,0,0|2,0,0]=4 17357 B10R1.15 CCC(=O)N1CCOCC1 11a_100015191051_100000210414 [0,1,0,1,0,0|2,0,0]=4 17358 B10R1.15 CCC(=O)N1CCOCC1 1626a_100015191051_100000210414 [0,1,0,1,0,0|2,0,0]=4 17359 B10R1.15 CCC(=O)N1CCOCC1 240690a_100015191051_100000210414 [0,1,0,1,0,0|2,0,0]=4 17360 B10R1.15 CCC(=O)N1CCOCC1 527a_100015191051_100000210414 [0,1,0,1,0,0|2,0,0]=4 17361 B10R1.15 CCC(=O)N1CCSCC1 11a_100000737611_100000210414 [0,1,0,1,0,0|2,0,0]=4 17362 B10R1.15 CCC(=O)N1CCSCC1 240690a_100000737611_100000210414 [0,1,0,1,0,0|2,0,0]=4 17363 B10R1.15 CCC(=O)N1CCSCC1 527a_100000737611_100000210414 [0,1,0,1,0,0|2,0,0]=4 17364 B10R1.15 CCC(=O)[C@H]1CC=CCC1 1458a_100009820709_100000210202 [0,1,0,1,0,0|0,0,2]=4 17365 B10R1.15 CCN(C)C1CCCCC1 2230a_100000201195_200000210301 [0,1,0,1,0,0|2,0,0]=4 17366 B10R1.15 CCN(C)C1CCCCC1 2230a_100000207522_100000210202 [0,1,0,1,0,0|2,0,0]=4 17367 B10R1.15 CCN(C)C1CCCCC1 269982a_100000201195_200000210301 [0,1,0,1,0,0|2,0,0]=4 17368 B10R1.15 CCN(C)C1CCCCC1 269982a_100000207522_100000204670 [0,1,0,1,0,0|2,0,0]=4 17369 B10R1.15 CCN(C)C1CCCCC1 269982a_100000225621_100000210327 [0,1,0,1,0,0|2,0,0]=4 17370 B10R1.15 CCN(C)C1CCCCC1 34a_100000201195_200000210301 [0,1,0,1,0,0|2,0,0]=4 17371 B10R1.15 CCN(C)C1CCCCC1 34a_100000207522_100000210202 [0,1,0,1,0,0|2,0,0]=4 17372 B10R1.15 CCN([13CH3])C1CCCCC1 2230a_100000201195_200025704644 [0,1,0,1,0,0|2,0,0]=4 17373 B10R1.15 CCN([13CH3])C1CCCCC1 269982a_100000201195_200025704644 [0,1,0,1,0,0|2,0,0]=4 17374 B10R1.15 CCN([13CH3])C1CCCCC1 34a_100000201195_200025704644 [0,1,0,1,0,0|2,0,0]=4 17375 B10R1.15 CN(CF)C1CCCCC1 269982a_100000207522_100015361967 [0,1,0,1,0,0|2,0,0]=4 17376 B10R1.15 CN(CF)C1CCCCC1 34a_100000207522_100015361967 [0,1,0,1,0,0|2,0,0]=4 17377 B10R1.15 CNC(=O)C1=CCCCC1 11a_106832991635_100000765259 [0,1,0,1,0,0|0,0,2]=4 17378 B10R1.15 CNC(=O)C1=CCCCC1 1626a_100102657272_100000765259 [0,1,0,1,0,0|0,0,2]=4 17379 B10R1.15 CNC(=O)C1=CCCCC1 240690a_100102657272_100000765259 [0,1,0,1,0,0|0,0,2]=4 17380 B10R1.15 CNC(=O)C1=CCCCC1 527a_100102657272_100000765259 [0,1,0,1,0,0|0,0,2]=4 17381 B10R1.15 CNC(=O)C1CCCCC1 11a_106832991635_100000210647 [0,1,0,1,0,0|0,0,0]=2 17382 B10R1.15 CNC(=O)C1CCCCC1 1626a_100102657272_100000210647 [0,1,0,1,0,0|0,0,0]=2 17383 B10R1.15 CNC(=O)C1CCCCC1 240690a_100102657272_100000210647 [0,1,0,1,0,0|0,0,0]=2 17384 B10R1.15 CNC(=O)C1CCCCC1 527a_100102657272_100000210647 [0,1,0,1,0,0|0,0,0]=2 17385 B10R1.15 CNC(=O)C1CCCCO1 11a_106832991635_100000748299 [0,1,0,1,0,0|1,0,0]=3 17386 B10R1.15 CNC(=O)C1CCCCO1 1626a_100102657272_100000748299 [0,1,0,1,0,0|1,0,0]=3 17387 B10R1.15 CNC(=O)C1CCCCO1 240690a_100102657272_100000748299 [0,1,0,1,0,0|1,0,0]=3 17388 B10R1.15 CNC(=O)C1CCCCO1 527a_100102657272_100000748299 [0,1,0,1,0,0|1,0,0]=3 17389 B10R1.15 CNC(=O)C1CCCOC1 11a_106832991635_100000741522 [0,1,0,1,0,0|1,0,0]=3 17390 B10R1.15 CNC(=O)C1CCCOC1 1626a_100102657272_100000741522 [0,1,0,1,0,0|1,0,0]=3 17391 B10R1.15 CNC(=O)C1CCCOC1 240690a_100102657272_100000741522 [0,1,0,1,0,0|1,0,0]=3 17392 B10R1.15 CNC(=O)C1CCCOC1 527a_100102657272_100000741522 [0,1,0,1,0,0|1,0,0]=3 17393 B10R1.15 CNC(=O)C1CCOCC1 11a_106832991635_100000195482 [0,1,0,1,0,0|1,0,0]=3 17394 B10R1.15 CNC(=O)C1CCOCC1 1626a_100102657272_100000195482 [0,1,0,1,0,0|1,0,0]=3 17395 B10R1.15 CNC(=O)C1CCOCC1 240690a_100102657272_100000195482 [0,1,0,1,0,0|1,0,0]=3 17396 B10R1.15 CNC(=O)C1CCOCC1 527a_100102657272_100000195482 [0,1,0,1,0,0|1,0,0]=3 17397 B10R1.15 CNC(=O)C1CCSCC1 11a_106832991635_100000755232 [0,1,0,1,0,0|1,0,0]=3 17398 B10R1.15 CNC(=O)C1CCSCC1 1626a_100102657272_100000755232 [0,1,0,1,0,0|1,0,0]=3 17399 B10R1.15 CNC(=O)C1CCSCC1 240690a_100102657272_100000755232 [0,1,0,1,0,0|1,0,0]=3 17400 B10R1.15 CNC(=O)C1CCSCC1 527a_100102657272_100000755232 [0,1,0,1,0,0|1,0,0]=3 17401 B10R1.15 CNC(=O)C1COCCO1 11a_106832991635_100000045528 [0,1,0,1,0,0|2,0,0]=4 17402 B10R1.15 CNC(=O)C1COCCO1 1626a_100102657272_100000045528 [0,1,0,1,0,0|2,0,0]=4 17403 B10R1.15 CNC(=O)C1COCCO1 240690a_100102657272_100000045528 [0,1,0,1,0,0|2,0,0]=4 17404 B10R1.15 CNC(=O)C1COCCO1 527a_100102657272_100000045528 [0,1,0,1,0,0|2,0,0]=4 17405 B10R1.15 CNC(=O)C1SCCCS1 11a_106832991635_100000028545 [0,1,0,1,0,0|2,0,0]=4 17406 B10R1.15 CNC(=O)C1SCCCS1 1626a_100102657272_100000028545 [0,1,0,1,0,0|2,0,0]=4 17407 B10R1.15 CNC(=O)C1SCCCS1 240690a_100102657272_100000028545 [0,1,0,1,0,0|2,0,0]=4 17408 B10R1.15 CNC(=O)C1SCCCS1 527a_100102657272_100000028545 [0,1,0,1,0,0|2,0,0]=4 17409 B10R1.15 CNC(=O)N1CCCOC1 2708a_100102657272_100000131196 [0,1,0,1,0,0|2,0,0]=4 17410 B10R1.15 CNC(=O)N1CCCOC1 273464a_100102657272_100000131196 [0,1,0,1,0,0|2,0,0]=4 17411 B10R1.15 CNC(=O)N1CCOCC1 2708a_100102657272_100015191051 [0,1,0,1,0,0|2,0,0]=4 17412 B10R1.15 CNC(=O)N1CCOCC1 273464a_100102657272_100015191051 [0,1,0,1,0,0|2,0,0]=4 17413 B10R1.15 CNC(=O)N1CCSCC1 2708a_100102657272_100000737611 [0,1,0,1,0,0|2,0,0]=4 17414 B10R1.15 CNC(=O)N1CCSCC1 273464a_100102657272_100000737611 [0,1,0,1,0,0|2,0,0]=4 17415 B10R1.15 CNC(=O)[C@H]1CC=CCC1 11a_106832991635_100009820709 [0,1,0,1,0,0|0,0,2]=4 17416 B10R1.15 CNC(=O)[C@H]1CC=CCC1 1626a_100102657272_100009820709 [0,1,0,1,0,0|0,0,2]=4 17417 B10R1.15 CNC(=O)[C@H]1CC=CCC1 240690a_100102657272_100009820709 [0,1,0,1,0,0|0,0,2]=4 17418 B10R1.15 CNC(=O)[C@H]1CC=CCC1 527a_100102657272_100009820709 [0,1,0,1,0,0|0,0,2]=4 17419 B10R1.15 CNC(C)C1CCCCC1 269862a_106832991636_100000210989 [0,1,0,1,0,0|1,0,1]=4 17420 B10R1.15 CN[C@H](C)C1CCCCC1 2230a_100025707633_200000210301 [0,1,0,1,0,0|1,0,1]=4 17421 B10R1.15 CN[C@H](C)C1CCCCC1 34a_100025707633_200000210301 [0,1,0,1,0,0|1,0,1]=4 17422 B10R1.15 COC(C)C1CCCCC1 34a_100011216961_200000210301 [0,1,0,1,0,0|0,0,2]=4 17423 B10R1.15 COC(C)C1CCCCC1 7a_100011216961_200000210301 [0,1,0,1,0,0|0,0,2]=4 17424 B10R1.15 C[C@@H](N[13CH3])C1CCCCC1 2230a_100025707633_200025704644 [0,1,0,1,0,0|1,0,1]=4 17425 B10R1.15 C[C@@H](N[13CH3])C1CCCCC1 34a_100025707633_200025704644 [0,1,0,1,0,0|1,0,1]=4 17426 B10R1.15 O=C(CF)C1=CCCCC1 1458a_100000765259_100015361967 [0,1,0,1,0,0|0,0,2]=4 17427 B10R1.15 O=C(CF)C1CCCCC1 1458a_100000210647_100015361967 [0,1,0,1,0,0|0,0,0]=2 17428 B10R1.15 O=C(CF)C1CCCCO1 1458a_100000748299_100015361967 [0,1,0,1,0,0|1,0,0]=3 17429 B10R1.15 O=C(CF)C1CCCOC1 1458a_100000741522_100015361967 [0,1,0,1,0,0|1,0,0]=3 17430 B10R1.15 O=C(CF)C1CCOCC1 1458a_100000195482_100015361967 [0,1,0,1,0,0|1,0,0]=3 17431 B10R1.15 O=C(CF)C1CCSCC1 1458a_100000755232_100015361967 [0,1,0,1,0,0|1,0,0]=3 17432 B10R1.15 O=C(CF)C1COCCO1 1458a_100000045528_100015361967 [0,1,0,1,0,0|2,0,0]=4 17433 B10R1.15 O=C(CF)C1SCCCS1 1458a_100000028545_100015361967 [0,1,0,1,0,0|2,0,0]=4 17434 B10R1.15 O=C(CF)[C@H]1CC=CCC1 1458a_100009820709_100015361967 [0,1,0,1,0,0|0,0,2]=4 17435 B10R1.15 O=C(CO)C1C=CCCC1 1458a_100000210174_100000751183 [0,1,0,1,0,0|0,0,2]=4 17436 B10R1.15 O=C(CO)C1CCCCC1 1458a_100000210174_100000210327 [0,1,0,1,0,0|0,0,0]=2 17437 B10R1.15 O=C(CO)C1CCCOC1 1458a_100000210174_100000693364 [0,1,0,1,0,0|1,0,0]=3 17438 B10R1.15 O=C(CO)C1CCOCC1 1458a_100000210174_100011324220 [0,1,0,1,0,0|1,0,0]=3 17439 B10R1.15 O=C(CO)N1CCCOC1 240690a_100000131196_100000210174 [0,1,0,1,0,0|2,0,0]=4 17440 B10R1.15 O=C(CO)N1CCOCC1 240690a_100015191051_100000210174 [0,1,0,1,0,0|2,0,0]=4 17441 B10R1.15 O=C(CO)N1CCOCC1 527a_100015191051_100000210174 [0,1,0,1,0,0|2,0,0]=4 17442 B10R1.15 O=C(CO)N1CCSCC1 240690a_100000737611_100000210174 [0,1,0,1,0,0|2,0,0]=4 17443 B10R1.15 O=C(CO)N1CCSCC1 527a_100000737611_100000210174 [0,1,0,1,0,0|2,0,0]=4 17444 B10R1.27 C#CC(=O)CC1CCCC1 1458a_100000211873_100000740388 [0,1,0,1,0,0|0,0,1]=3 17445 B10R1.27 C#CC(=O)CC1CCCO1 1458a_100000211873_100000203698 [0,1,0,1,0,0|1,0,1]=4 17446 B10R1.27 C#CC(=O)CC1CCOC1 1458a_100000211873_100000702531 [0,1,0,1,0,0|1,0,1]=4 17447 B10R1.27 C=CC(=O)CC1CCCC1 1458a_100000185746_100000740388 [0,1,0,1,0,0|0,0,1]=3 17448 B10R1.27 C=CC(=O)CC1CCCO1 1458a_100000185746_100000203698 [0,1,0,1,0,0|1,0,1]=4 17449 B10R1.27 C=CC(=O)CC1CCOC1 1458a_100000185746_100000702531 [0,1,0,1,0,0|1,0,1]=4 17450 B10R1.27 C=CC(=O)NC1CCCC1 1626a_100000211070_100000185746 [0,1,0,1,0,0|1,0,1]=4 17451 B10R1.27 C=CC(=O)NC1CCCC1 240690a_100000211070_200121576911 [0,1,0,1,0,0|1,0,1]=4 17452 B10R1.27 CCC(=O)C=C1CCCC1 1458a_100000743260_100000210202 [0,1,0,1,0,0|0,0,2]=4 17453 B10R1.27 CCC(=O)CC1=CCCC1 1458a_100000050221_100000210202 [0,1,0,1,0,0|0,0,2]=4 17454 B10R1.27 CCC(=O)CC1C=CCC1 1458a_100000212241_100000210202 [0,1,0,1,0,0|0,0,2]=4 17455 B10R1.27 CCC(=O)CC1CC=CC1 1458a_200000137526_100000210202 [0,1,0,1,0,0|0,0,2]=4 17456 B10R1.27 CCC(=O)CC1CCCC1 1458a_100000210414_100000740388 [0,1,0,1,0,0|0,0,0]=2 17457 B10R1.27 CCC(=O)CC1CCCC1 1458a_100000210891_100000210202 [0,1,0,1,0,0|0,0,0]=2 17458 B10R1.27 CCC(=O)CC1CCCO1 1458a_100000210414_100000203698 [0,1,0,1,0,0|1,0,0]=3 17459 B10R1.27 CCC(=O)CC1CCOC1 1458a_100000210414_100000702531 [0,1,0,1,0,0|1,0,0]=3 17460 B10R1.27 CCC(=O)CC1CCOC1 1458a_100011218419_100000210202 [0,1,0,1,0,0|1,0,0]=3 17461 B10R1.27 CCC(=O)CC1OCCO1 1458a_100000210414_100000755774 [0,1,0,1,0,0|2,0,0]=4 17462 B10R1.27 CCC(=O)CN1CCCC1 1458a_100000740243_100000210202 [0,1,0,1,0,0|1,0,0]=3 17463 B10R1.27 CCC(=O)CN1CCCC1 269982a_100000188435_100000747405 [0,1,0,1,0,0|1,0,0]=3 17464 B10R1.27 CCC(=O)CN1CCSC1 269982a_100011215254_100000747405 [0,1,0,1,0,0|2,0,0]=4 17465 B10R1.27 CCC(=O)NC1CCCC1 11a_100000211070_100000210414 [0,1,0,1,0,0|1,0,0]=3 17466 B10R1.27 CCC(=O)NC1CCCC1 1626a_100000211070_100000210414 [0,1,0,1,0,0|1,0,0]=3 17467 B10R1.27 CCC(=O)NC1CCCC1 240690a_100000211070_100000210414 [0,1,0,1,0,0|1,0,0]=3 17468 B10R1.27 CCC(=O)NC1CCCC1 527a_100000211070_100000210414 [0,1,0,1,0,0|1,0,0]=3 17469 B10R1.27 CCC(=O)N[C@@H]1CCOC1 240690a_200015188469_100000210414 [0,1,0,1,0,0|2,0,0]=4 17470 B10R1.27 CCC(=O)N[C@@H]1CCOC1 527a_200015188469_100000210414 [0,1,0,1,0,0|2,0,0]=4 17471 B10R1.27 CCC(=O)N[C@H]1CCOC1 11a_100015188467_100000210414 [0,1,0,1,0,0|2,0,0]=4 17472 B10R1.27 CCC(=O)N[C@H]1CCOC1 1626a_100015188467_100000210414 [0,1,0,1,0,0|2,0,0]=4 17473 B10R1.27 CCC(=O)N[C@H]1CCOC1 240690a_100015188467_100000210414 [0,1,0,1,0,0|2,0,0]=4 17474 B10R1.27 CCC(=O)N[C@H]1CCOC1 527a_100015188467_100000210414 [0,1,0,1,0,0|2,0,0]=4 17475 B10R1.27 CCN(C)CC1CCCC1 2230a_100000225621_100000740388 [0,1,0,1,0,0|2,0,0]=4 17476 B10R1.27 CCN(C)CC1CCCC1 269982a_100000225621_100000740388 [0,1,0,1,0,0|2,0,0]=4 17477 B10R1.27 CNC(=O)C=C1CCCC1 11a_106832991635_100000743260 [0,1,0,1,0,0|0,0,2]=4 17478 B10R1.27 CNC(=O)C=C1CCCC1 1626a_100102657272_100000743260 [0,1,0,1,0,0|0,0,2]=4 17479 B10R1.27 CNC(=O)C=C1CCCC1 240690a_100102657272_100000743260 [0,1,0,1,0,0|0,0,2]=4 17480 B10R1.27 CNC(=O)C=C1CCCC1 527a_100102657272_100000743260 [0,1,0,1,0,0|0,0,2]=4 17481 B10R1.27 CNC(=O)CC1=CCCC1 11a_106832991635_100000050221 [0,1,0,1,0,0|0,0,2]=4 17482 B10R1.27 CNC(=O)CC1=CCCC1 1626a_100102657272_100000050221 [0,1,0,1,0,0|0,0,2]=4 17483 B10R1.27 CNC(=O)CC1=CCCC1 240690a_100102657272_100000050221 [0,1,0,1,0,0|0,0,2]=4 17484 B10R1.27 CNC(=O)CC1=CCCC1 527a_100102657272_100000050221 [0,1,0,1,0,0|0,0,2]=4 17485 B10R1.27 CNC(=O)CC1C=CCC1 11a_106832991635_100000212241 [0,1,0,1,0,0|0,0,2]=4 17486 B10R1.27 CNC(=O)CC1C=CCC1 1626a_100102657272_100000212241 [0,1,0,1,0,0|0,0,2]=4 17487 B10R1.27 CNC(=O)CC1C=CCC1 240690a_100102657272_100000212241 [0,1,0,1,0,0|0,0,2]=4 17488 B10R1.27 CNC(=O)CC1C=CCC1 527a_100102657272_100000212241 [0,1,0,1,0,0|0,0,2]=4 17489 B10R1.27 CNC(=O)CC1CC=CC1 11a_106832991635_200000137526 [0,1,0,1,0,0|0,0,2]=4 17490 B10R1.27 CNC(=O)CC1CC=CC1 1626a_100102657272_200000137526 [0,1,0,1,0,0|0,0,2]=4 17491 B10R1.27 CNC(=O)CC1CC=CC1 240690a_100102657272_200000137526 [0,1,0,1,0,0|0,0,2]=4 17492 B10R1.27 CNC(=O)CC1CC=CC1 527a_100102657272_200000137526 [0,1,0,1,0,0|0,0,2]=4 17493 B10R1.27 CNC(=O)CC1CCCC1 11a_106832991635_100000210891 [0,1,0,1,0,0|0,0,0]=2 17494 B10R1.27 CNC(=O)CC1CCCC1 1626a_100102657272_100000210891 [0,1,0,1,0,0|0,0,0]=2 17495 B10R1.27 CNC(=O)CC1CCCC1 240690a_100102657272_100000210891 [0,1,0,1,0,0|0,0,0]=2 17496 B10R1.27 CNC(=O)CC1CCCC1 527a_100102657272_100000210891 [0,1,0,1,0,0|0,0,0]=2 17497 B10R1.27 CNC(=O)CC1CCOC1 11a_106832991635_100011218419 [0,1,0,1,0,0|1,0,0]=3 17498 B10R1.27 CNC(=O)CC1CCOC1 1626a_100102657272_100011218419 [0,1,0,1,0,0|1,0,0]=3 17499 B10R1.27 CNC(=O)CC1CCOC1 240690a_100102657272_100011218419 [0,1,0,1,0,0|1,0,0]=3 17500 B10R1.27 CNC(=O)CC1CCOC1 527a_100102657272_100011218419 [0,1,0,1,0,0|1,0,0]=3 17501 B10R1.27 CNC(=O)CN1CCCC1 2230a_100000188435_100000183359 [0,1,0,1,0,0|1,0,0]=3 17502 B10R1.27 CNC(=O)CN1CCCC1 240690a_100102657272_100000740243 [0,1,0,1,0,0|1,0,0]=3 17503 B10R1.27 CNC(=O)CN1CCCC1 269982a_100000188435_100000183359 [0,1,0,1,0,0|1,0,0]=3 17504 B10R1.27 CNC(=O)CN1CCCC1 527a_100102657272_100000740243 [0,1,0,1,0,0|1,0,0]=3 17505 B10R1.27 CNC(=O)CN1CCSC1 2230a_100011215254_100000183359 [0,1,0,1,0,0|2,0,0]=4 17506 B10R1.27 CNC(=O)CN1CCSC1 269982a_100011215254_100000183359 [0,1,0,1,0,0|2,0,0]=4 17507 B10R1.27 CNC(=O)NC1CCCC1 2708a_100000211070_106832991635 [0,1,0,1,0,0|1,0,0]=3 17508 B10R1.27 CNC(=O)NC1CCCC1 2708a_100102657272_100000211070 [0,1,0,1,0,0|1,0,0]=3 17509 B10R1.27 CNC(=O)NC1CCCC1 273464a_100000211070_100102657272 [0,1,0,1,0,0|1,0,0]=3 17510 B10R1.27 CNC(=O)NC1CCCC1 273464a_100102657272_100000211070 [0,1,0,1,0,0|1,0,0]=3 17511 B10R1.27 CNC(=O)NC1CCCC1 512a_100000211070_100102657272 [0,1,0,1,0,0|1,0,0]=3 17512 B10R1.27 CNC(=O)NC1CCCC1 512a_106832991638_100000211070 [0,1,0,1,0,0|1,0,0]=3 17513 B10R1.27 CNC(=O)N[C@@H]1CCOC1 2708a_100102657272_200015188469 [0,1,0,1,0,0|2,0,0]=4 17514 B10R1.27 CNC(=O)N[C@@H]1CCOC1 2708a_200015188469_106832991635 [0,1,0,1,0,0|2,0,0]=4 17515 B10R1.27 CNC(=O)N[C@@H]1CCOC1 273464a_100102657272_200015188469 [0,1,0,1,0,0|2,0,0]=4 17516 B10R1.27 CNC(=O)N[C@@H]1CCOC1 273464a_200015188469_100102657272 [0,1,0,1,0,0|2,0,0]=4 17517 B10R1.27 CNC(=O)N[C@@H]1CCOC1 512a_106832991638_200015188469 [0,1,0,1,0,0|2,0,0]=4 17518 B10R1.27 CNC(=O)N[C@H]1CCOC1 2708a_100015188467_106832991635 [0,1,0,1,0,0|2,0,0]=4 17519 B10R1.27 CNC(=O)N[C@H]1CCOC1 2708a_100102657272_100015188467 [0,1,0,1,0,0|2,0,0]=4 17520 B10R1.27 CNC(=O)N[C@H]1CCOC1 273464a_100015188467_100102657272 [0,1,0,1,0,0|2,0,0]=4 17521 B10R1.27 CNC(=O)N[C@H]1CCOC1 273464a_100102657272_100015188467 [0,1,0,1,0,0|2,0,0]=4 17522 B10R1.27 CNC(=O)N[C@H]1CCOC1 512a_100015188467_100102657272 [0,1,0,1,0,0|2,0,0]=4 17523 B10R1.27 CNC(=O)N[C@H]1CCOC1 512a_106832991638_100015188467 [0,1,0,1,0,0|2,0,0]=4 17524 B10R1.27 CNC(C)CC1CCCC1 270004a_106832991635_100000692464 [0,1,0,1,0,0|1,0,1]=4 17525 B10R1.27 COC(=O)CN1CCCC1 2230a_100000188435_100000747449 [0,1,0,1,0,0|1,0,0]=3 17526 B10R1.27 COC(=O)CN1CCCC1 269982a_100000188435_100000747449 [0,1,0,1,0,0|1,0,0]=3 17527 B10R1.27 COC(=O)CN1CCSC1 2230a_100011215254_100000747449 [0,1,0,1,0,0|2,0,0]=4 17528 B10R1.27 COC(=O)CN1CCSC1 269982a_100011215254_100000747449 [0,1,0,1,0,0|2,0,0]=4 17529 B10R1.27 O=C(C=C1CCCC1)CF 1458a_100000743260_100015361967 [0,1,0,1,0,0|0,0,2]=4 17530 B10R1.27 O=C(CF)CC1=CCCC1 1458a_100000050221_100015361967 [0,1,0,1,0,0|0,0,2]=4 17531 B10R1.27 O=C(CF)CC1C=CCC1 1458a_100000212241_100015361967 [0,1,0,1,0,0|0,0,2]=4 17532 B10R1.27 O=C(CF)CC1CC=CC1 1458a_200000137526_100015361967 [0,1,0,1,0,0|0,0,2]=4 17533 B10R1.27 O=C(CF)CC1CCCC1 1458a_100000210891_100015361967 [0,1,0,1,0,0|0,0,0]=2 17534 B10R1.27 O=C(CF)CC1CCOC1 1458a_100011218419_100015361967 [0,1,0,1,0,0|1,0,0]=3 17535 B10R1.27 O=C(CF)CN1CCCC1 1458a_100000740243_100015361967 [0,1,0,1,0,0|1,0,0]=3 17536 B10R1.27 O=C(CO)CC1CCCC1 1458a_100000210174_100000740388 [0,1,0,1,0,0|0,0,0]=2 17537 B10R1.27 O=C(CO)CC1CCCO1 1458a_100000210174_100000203698 [0,1,0,1,0,0|1,0,0]=3 17538 B10R1.27 O=C(CO)CC1CCOC1 1458a_100000210174_100000702531 [0,1,0,1,0,0|1,0,0]=3 17539 B10R1.27 O=C(CO)CC1OCCO1 1458a_100000210174_100000755774 [0,1,0,1,0,0|2,0,0]=4 17540 B10R1.27 O=C(CO)NC1CCCC1 240690a_100000211070_100000210174 [0,1,0,1,0,0|1,0,0]=3 17541 B10R1.27 O=C(CO)NC1CCCC1 527a_100000211070_100000210174 [0,1,0,1,0,0|1,0,0]=3 17542 B10R1.27 O=C(CO)N[C@@H]1CCOC1 240690a_200015188469_100000210174 [0,1,0,1,0,0|2,0,0]=4 17543 B10R1.27 O=C(CO)N[C@@H]1CCOC1 527a_200015188469_100000210174 [0,1,0,1,0,0|2,0,0]=4 17544 B10R1.27 O=C(CO)N[C@H]1CCOC1 240690a_100015188467_100000210174 [0,1,0,1,0,0|2,0,0]=4 17545 B10R1.27 O=C(CO)N[C@H]1CCOC1 527a_100015188467_100000210174 [0,1,0,1,0,0|2,0,0]=4 17546 B10R1.37 CCCCNC1CCC1=O 7a_106832991798_100009892977 [0,1,0,1,0,0|1,0,0]=3 17547 B10R1.37 CCCCOC1CCC1=O 34a_100000210227_100009892977 [0,1,0,1,0,0|1,0,0]=3 17548 B10R1.37 CCCCOC1CCC1=O 7a_100000210227_100009892977 [0,1,0,1,0,0|1,0,0]=3 17549 B10R1.37 CCCCSC1CCC1=O 62a_100000210211_100009892977 [0,1,0,1,0,0|1,0,0]=3 17550 B10R1.37 CCCCSC1CCC1=O 62a_100009892977_100000210210 [0,1,0,1,0,0|1,0,0]=3 17551 B10R1.37 CCNCCC1CCC1=O 2230a_100015525214_200016118888 [0,1,0,1,0,0|1,0,0]=3 17552 B10R1.37 CCOCSC1CCC1=O 62a_100000739092_100009892977 [0,1,0,1,0,0|2,0,0]=4 17553 B10R1.37 CCOCSC1CCC1=O 62a_100009892977_100000739092 [0,1,0,1,0,0|2,0,0]=4 17554 B10R1.37 CCSCCC1CCC1=O 62a_100000210202_200016118888 [0,1,0,1,0,0|1,0,0]=3 17555 B10R1.37 CCSCCC1CCC1=O 62a_200016118888_100000210202 [0,1,0,1,0,0|1,0,0]=3 17556 B10R1.37 COCCOC1CCC1=O 34a_100000210237_100009892977 [0,1,0,1,0,0|2,0,0]=4 17557 B10R1.37 COCCSC1CCC1=O 62a_100000233755_100009892977 [0,1,0,1,0,0|2,0,0]=4 17558 B10R1.37 COCCSC1CCC1=O 62a_100009892977_100000233755 [0,1,0,1,0,0|2,0,0]=4 17559 B10R1.37 CSCCOC1CCC1=O 34a_100000230434_100009892977 [0,1,0,1,0,0|2,0,0]=4 17560 B10R1.37 CSCCOC1CCC1=O 7a_100000230434_100009892977 [0,1,0,1,0,0|2,0,0]=4 17561 B10R1.37 CSCCSC1CCC1=O 62a_100000212216_100009892977 [0,1,0,1,0,0|2,0,0]=4 17562 B10R1.37 CSCCSC1CCC1=O 62a_100009892977_100000751147 [0,1,0,1,0,0|2,0,0]=4 17563 B10R1.37 NCCCOC1CCC1=O 34a_100000182051_100009892977 [0,1,0,1,0,0|2,0,0]=4 17564 B10R1.37 O=C1CCC1CCSCF 62a_100015361967_200016118888 [0,1,0,1,0,0|2,0,0]=4 17565 B10R1.37 O=C1CCC1CCSCF 62a_200016118888_100015361967 [0,1,0,1,0,0|2,0,0]=4 17566 B10R1.37 O=C1CCC1NCCCF 34a_100015189416_100009892977 [0,1,0,1,0,0|2,0,0]=4 17567 B10R1.37 O=C1CCC1OCCCBr 34a_100011217188_100009892977 [0,1,0,1,0,0|2,0,0]=4 17568 B10R1.37 O=C1CCC1OCCCCl 34a_100000230001_100009892977 [0,1,0,1,0,0|2,0,0]=4 17569 B10R1.37 O=C1CCC1OCCCF 34a_100000759539_100009892977 [0,1,0,1,0,0|2,0,0]=4 17570 B10R1.37 O=C1CCC1SCCCF 62a_100009892977_100011934791 [0,1,0,1,0,0|2,0,0]=4 17571 B10R1.37 O=C1CCC1SCCCF 62a_100011934791_100009892977 [0,1,0,1,0,0|2,0,0]=4 17572 B10R1.37 O=C1CCC1SCCCO 62a_100009892977_100011215043 [0,1,0,1,0,0|2,0,0]=4 17573 B10R1.37 O=C1CCC1SCCCO 62a_100011215043_100009892977 [0,1,0,1,0,0|2,0,0]=4 17574 B10R1.57 CCCCCCN1CCC1 269982a_100000754969_100000210757 [0,1,0,1,0,0|2,0,0]=4 17575 B10R1.94 CCNC1CCN(C1=O)C 2230a_100015525214_100000755940 [0,1,0,1,0,0|2,0,0]=4 17576 B10R1.94 CCOC1CCN(C1=O)C 34a_100121572206_100000755940 [0,1,0,1,0,0|2,0,0]=4 17577 B10R1.94 CCSC1CCN(C1=O)C 62a_100000210202_100000755940 [0,1,0,1,0,0|2,0,0]=4 17578 B10R1.94 CCSC1CCN(C1=O)C 62a_100000755940_100000210202 [0,1,0,1,0,0|2,0,0]=4 17579 B10R1.94 CN1CCC(C1=O)CO[13CH3] 34a_100009823153_200025704644 [0,1,0,1,0,0|2,0,0]=4 17580 B10R1.94 COCC1CCN(C1=O)C 34a_100009823153_200000210301 [0,1,0,1,0,0|2,0,0]=4 17581 B10R1.96 CCCC1CCC(C1)NC 270004a_106832991635_200012087856 [0,1,0,1,0,0|1,0,1]=4 17582 B10R1.99 CCCN1CC1C(=O)OC 2230a_200009830135_100000210303 [0,1,0,1,0,0|1,0,0]=3 17583 B10R1.99 COC(=O)C1CN1CCF 2230a_200009830135_100011217306 [0,1,0,1,0,0|2,0,0]=4 17584 B10R1.99 COC(=O)C1CN1CCO 2230a_200009830135_100000211926 [0,1,0,1,0,0|2,0,0]=4 17585 B10R1.99 COC(=O)C1CN1CSC 2230a_200009830135_100011218213 [0,1,0,1,0,0|2,0,0]=4 17586 B10R1.99 COCN1CC1C(=O)OC 2230a_200009830135_100000766300 [0,1,0,1,0,0|2,0,0]=4 17587 B10R1.149 C=CC(=O)N1CCC[C@@H]1C 240690a_100020605311_200121576911 [0,1,0,1,0,0|1,0,1]=4 17588 B10R1.149 C=CC(=O)N1CCC[C@H]1C 240690a_100015189458_200121576911 [0,1,0,1,0,0|1,0,1]=4 17589 B10R1.149 CC1CCCC1C(=O)CF 1458a_100000690547_100015361967 [0,1,0,1,0,0|0,0,0]=2 17590 B10R1.149 CC1SCCN1C(=O)CO 240690a_200011216479_100000210174 [0,1,0,1,0,0|2,0,0]=4 17591 B10R1.149 CC1SCCN1C(=O)CO 527a_200011216479_100000210174 [0,1,0,1,0,0|2,0,0]=4 17592 B10R1.149 CCC(=O)C1CCCC1=O 1458a_100000210414_100000211823 [0,1,0,1,0,0|1,0,1]=4 17593 B10R1.149 CCC(=O)C1CCCC1C 1458a_100000690547_100000210202 [0,1,0,1,0,0|0,0,0]=2 17594 B10R1.149 CCC(=O)N1CCC[C@@H]1C 240690a_100020605311_100000210414 [0,1,0,1,0,0|1,0,0]=3 17595 B10R1.149 CCC(=O)N1CCC[C@@H]1C 527a_100020605311_100000210414 [0,1,0,1,0,0|1,0,0]=3 17596 B10R1.149 CCC(=O)N1CCC[C@H]1C 11a_100015189458_100000210414 [0,1,0,1,0,0|1,0,0]=3 17597 B10R1.149 CCC(=O)N1CCC[C@H]1C 240690a_100015189458_100000210414 [0,1,0,1,0,0|1,0,0]=3 17598 B10R1.149 CCC(=O)N1CCC[C@H]1C 527a_100015189458_100000210414 [0,1,0,1,0,0|1,0,0]=3 17599 B10R1.149 CCC(=O)N1CCSC1C 11a_200011216479_100000210414 [0,1,0,1,0,0|2,0,0]=4 17600 B10R1.149 CCC(=O)N1CCSC1C 1626a_200011216479_100000210414 [0,1,0,1,0,0|2,0,0]=4 17601 B10R1.149 CCC(=O)N1CCSC1C 240690a_200011216479_100000210414 [0,1,0,1,0,0|2,0,0]=4 17602 B10R1.149 CCC(=O)N1CCSC1C 527a_200011216479_100000210414 [0,1,0,1,0,0|2,0,0]=4 17603 B10R1.149 CCC(=O)[C@@H]1CCCN1C 1458a_100009816429_100000210202 [0,1,0,1,0,0|1,0,0]=3 17604 B10R1.149 CN1CCC[C@H]1C(=O)CF 1458a_100009816429_100015361967 [0,1,0,1,0,0|1,0,0]=3 17605 B10R1.149 CNC(=O)C1CCCC1C 11a_106832991635_100000690547 [0,1,0,1,0,0|0,0,0]=2 17606 B10R1.149 CNC(=O)C1CCCC1C 1626a_100102657272_100000690547 [0,1,0,1,0,0|0,0,0]=2 17607 B10R1.149 CNC(=O)C1CCCC1C 240690a_100102657272_100000690547 [0,1,0,1,0,0|0,0,0]=2 17608 B10R1.149 CNC(=O)C1CCCC1C 527a_100102657272_100000690547 [0,1,0,1,0,0|0,0,0]=2 17609 B10R1.149 CNC(=O)C1CSCN1C 240690a_100102657272_100020666735 [0,1,0,1,0,0|2,0,0]=4 17610 B10R1.149 CNC(=O)N1CCC[C@@H]1C 2708a_100102657272_100020605311 [0,1,0,1,0,0|1,0,0]=3 17611 B10R1.149 CNC(=O)N1CCC[C@@H]1C 273464a_100102657272_100020605311 [0,1,0,1,0,0|1,0,0]=3 17612 B10R1.149 CNC(=O)N1CCC[C@H]1C 2708a_100102657272_100015189458 [0,1,0,1,0,0|1,0,0]=3 17613 B10R1.149 CNC(=O)N1CCC[C@H]1C 273464a_100102657272_100015189458 [0,1,0,1,0,0|1,0,0]=3 17614 B10R1.149 CNC(=O)N1CCSC1C 2708a_100102657272_200011216479 [0,1,0,1,0,0|2,0,0]=4 17615 B10R1.149 CNC(=O)N1CCSC1C 273464a_100102657272_200011216479 [0,1,0,1,0,0|2,0,0]=4 17616 B10R1.149 CNC(=O)[C@@H]1CCCN1C 11a_106832991635_100009816429 [0,1,0,1,0,0|1,0,0]=3 17617 B10R1.149 CNC(=O)[C@@H]1CCCN1C 2230a_100015185040_200000210301 [0,1,0,1,0,0|1,0,0]=3 17618 B10R1.149 CNC(=O)[C@@H]1CCCN1C 240690a_100102657272_100009816429 [0,1,0,1,0,0|1,0,0]=3 17619 B10R1.149 CNC(=O)[C@@H]1CCCN1C 269982a_100015185040_200000210301 [0,1,0,1,0,0|1,0,0]=3 17620 B10R1.149 CNC(=O)[C@@H]1CCCN1C 34a_100015185040_200000210301 [0,1,0,1,0,0|1,0,0]=3 17621 B10R1.149 CNC(=O)[C@@H]1CCCN1C 527a_100102657272_100009816429 [0,1,0,1,0,0|1,0,0]=3 17622 B10R1.149 CNC(=O)[C@@H]1CCCN1[13CH3] 2230a_100015185040_200025704644 [0,1,0,1,0,0|1,0,0]=3 17623 B10R1.149 CNC(=O)[C@@H]1CCCN1[13CH3] 269982a_100015185040_200025704644 [0,1,0,1,0,0|1,0,0]=3 17624 B10R1.149 CNC(=O)[C@@H]1CCCN1[13CH3] 34a_100015185040_200025704644 [0,1,0,1,0,0|1,0,0]=3 17625 B10R1.149 COC(=O)C1CSCN1C 269982a_200000724679_200000210301 [0,1,0,1,0,0|2,0,0]=4 17626 B10R1.149 COC(=O)C1CSCN1[13CH3] 269982a_200000724679_200025704644 [0,1,0,1,0,0|2,0,0]=4 17627 B10R1.149 COC(=O)C1SCCN1C 2230a_100015296106_200000210301 [0,1,0,1,0,0|2,0,0]=4 17628 B10R1.149 COC(=O)C1SCCN1C 269982a_100015296106_200000210301 [0,1,0,1,0,0|2,0,0]=4 17629 B10R1.149 COC(=O)C1SCCN1[13CH3] 2230a_100015296106_200025704644 [0,1,0,1,0,0|2,0,0]=4 17630 B10R1.149 COC(=O)C1SCCN1[13CH3] 269982a_100015296106_200025704644 [0,1,0,1,0,0|2,0,0]=4 17631 B10R1.149 COC(=O)[C@@H]1CCCN1C 2230a_100000752040_200000210301 [0,1,0,1,0,0|1,0,0]=3 17632 B10R1.149 COC(=O)[C@@H]1CCCN1C 269982a_100000752040_200000210301 [0,1,0,1,0,0|1,0,0]=3 17633 B10R1.149 COC(=O)[C@@H]1CCCN1[13CH3] 2230a_100000752040_200025704644 [0,1,0,1,0,0|1,0,0]=3 17634 B10R1.149 COC(=O)[C@@H]1CCCN1[13CH3] 269982a_100000752040_200025704644 [0,1,0,1,0,0|1,0,0]=3 17635 B10R1.149 C[C@@H]1CCCN1C(=O)CO 240690a_100015189458_100000210174 [0,1,0,1,0,0|1,0,0]=3 17636 B10R1.149 C[C@@H]1CCCN1C(=O)CO 527a_100015189458_100000210174 [0,1,0,1,0,0|1,0,0]=3 17637 B10R1.149 C[C@H]1CCCN1C(=O)CO 240690a_100020605311_100000210174 [0,1,0,1,0,0|1,0,0]=3 17638 B10R1.149 C[C@H]1CCCN1C(=O)CO 527a_100020605311_100000210174 [0,1,0,1,0,0|1,0,0]=3 17639 B10R1.149 O=C(CO)C1CCCC1=O 1458a_100000210174_100000211823 [0,1,0,1,0,0|1,0,1]=4 17640 B10R1.151 C=CC(=O)NCC1CCC1 1626a_100000738700_100000185746 [0,1,0,1,0,0|1,0,1]=4 17641 B10R1.151 C=CC(=O)NCC1CCC1 240690a_100000738700_200121576911 [0,1,0,1,0,0|1,0,1]=4 17642 B10R1.151 CCC(=O)COC1CCC1 34a_100000725409_100000749161 [0,1,0,1,0,0|1,0,0]=3 17643 B10R1.151 CCC(=O)COC1COC1 34a_100000725409_100009818527 [0,1,0,1,0,0|2,0,0]=4 17644 B10R1.151 CCC(=O)COC1CSC1 7a_100000072292_100000747405 [0,1,0,1,0,0|2,0,0]=4 17645 B10R1.151 CCC(=O)CSC1CCC1 62a_100000747405_100000749161 [0,1,0,1,0,0|1,0,0]=3 17646 B10R1.151 CCC(=O)CSC1COC1 62a_100000747405_100009818527 [0,1,0,1,0,0|2,0,0]=4 17647 B10R1.151 CCC(=O)NCC1CCC1 11a_100000738700_100000210414 [0,1,0,1,0,0|1,0,0]=3 17648 B10R1.151 CCC(=O)NCC1CCC1 1626a_100000738700_100000210414 [0,1,0,1,0,0|1,0,0]=3 17649 B10R1.151 CCC(=O)NCC1CCC1 240690a_100000738700_100000210414 [0,1,0,1,0,0|1,0,0]=3 17650 B10R1.151 CCC(=O)NCC1CCC1 527a_100000738700_100000210414 [0,1,0,1,0,0|1,0,0]=3 17651 B10R1.151 CCC(=O)NCC1COC1 11a_100015281925_100000210414 [0,1,0,1,0,0|2,0,0]=4 17652 B10R1.151 CCC(=O)NCC1COC1 1626a_100015281925_100000210414 [0,1,0,1,0,0|2,0,0]=4 17653 B10R1.151 CCC(=O)NCC1COC1 240690a_100015281925_100000210414 [0,1,0,1,0,0|2,0,0]=4 17654 B10R1.151 CCC(=O)NCC1COC1 527a_100015281925_100000210414 [0,1,0,1,0,0|2,0,0]=4 17655 B10R1.151 CCC(=O)NC[C@@H]1CCO1 11a_100020831831_100000210414 [0,1,0,1,0,0|2,0,0]=4 17656 B10R1.151 CCC(=O)NC[C@@H]1CCO1 1626a_100020831831_100000210414 [0,1,0,1,0,0|2,0,0]=4 17657 B10R1.151 CCC(=O)NC[C@@H]1CCO1 240690a_100020831831_100000210414 [0,1,0,1,0,0|2,0,0]=4 17658 B10R1.151 CCC(=O)NC[C@@H]1CCO1 527a_100020831831_100000210414 [0,1,0,1,0,0|2,0,0]=4 17659 B10R1.151 CCC(=O)NNC1CCC1 22a_100000736358_100000210414 [0,1,0,1,0,0|2,0,0]=4 17660 B10R1.151 CNC(=O)CCN1CCC1 269982a_100000754969_100000737683 [0,1,0,1,0,0|1,0,0]=3 17661 B10R1.151 CNC(=O)CNC1CCC1 2230a_100000749019_100000183359 [0,1,0,1,0,0|1,0,0]=3 17662 B10R1.151 CNC(=O)CNC1CCC1 270004a_100000693194_100000241760 [0,1,0,1,0,0|1,0,0]=3 17663 B10R1.151 CNC(=O)CNC1CCC1 34a_100000749019_100000183359 [0,1,0,1,0,0|1,0,0]=3 17664 B10R1.151 CNC(=O)CNC1COC1 2230a_100016991112_100000183359 [0,1,0,1,0,0|2,0,0]=4 17665 B10R1.151 CNC(=O)COC1CCC1 34a_100000748187_100000183359 [0,1,0,1,0,0|1,0,0]=3 17666 B10R1.151 CNC(=O)COC1CCC1 34a_100000750040_100000749161 [0,1,0,1,0,0|1,0,0]=3 17667 B10R1.151 CNC(=O)COC1COC1 34a_100000750040_100009818527 [0,1,0,1,0,0|2,0,0]=4 17668 B10R1.151 CNC(=O)COC1CSC1 7a_100000072292_100000183359 [0,1,0,1,0,0|2,0,0]=4 17669 B10R1.151 CNC(=O)CSC1CCC1 62a_100000183359_100000749161 [0,1,0,1,0,0|1,0,0]=3 17670 B10R1.151 CNC(=O)CSC1COC1 62a_100000183359_100009818527 [0,1,0,1,0,0|2,0,0]=4 17671 B10R1.151 CNC(=O)NCC1CCC1 2708a_100000738700_106832991635 [0,1,0,1,0,0|1,0,0]=3 17672 B10R1.151 CNC(=O)NCC1CCC1 2708a_100102657272_100000738700 [0,1,0,1,0,0|1,0,0]=3 17673 B10R1.151 CNC(=O)NCC1CCC1 273464a_100000738700_100102657272 [0,1,0,1,0,0|1,0,0]=3 17674 B10R1.151 CNC(=O)NCC1CCC1 273464a_100102657272_100000738700 [0,1,0,1,0,0|1,0,0]=3 17675 B10R1.151 CNC(=O)NCC1CCC1 512a_100000738700_100102657272 [0,1,0,1,0,0|1,0,0]=3 17676 B10R1.151 CNC(=O)NCC1CCC1 512a_106832991638_100000738700 [0,1,0,1,0,0|1,0,0]=3 17677 B10R1.151 CNC(=O)NCC1COC1 2708a_100015281925_106832991635 [0,1,0,1,0,0|2,0,0]=4 17678 B10R1.151 CNC(=O)NCC1COC1 2708a_100102657272_100015281925 [0,1,0,1,0,0|2,0,0]=4 17679 B10R1.151 CNC(=O)NCC1COC1 273464a_100015281925_100102657272 [0,1,0,1,0,0|2,0,0]=4 17680 B10R1.151 CNC(=O)NCC1COC1 273464a_100102657272_100015281925 [0,1,0,1,0,0|2,0,0]=4 17681 B10R1.151 CNC(=O)NCC1COC1 512a_100015281925_100102657272 [0,1,0,1,0,0|2,0,0]=4 17682 B10R1.151 CNC(=O)NCC1COC1 512a_106832991638_100015281925 [0,1,0,1,0,0|2,0,0]=4 17683 B10R1.151 CNC(=O)NC[C@@H]1CCO1 2708a_100020831831_106832991635 [0,1,0,1,0,0|2,0,0]=4 17684 B10R1.151 CNC(=O)NC[C@@H]1CCO1 2708a_100102657272_100020831831 [0,1,0,1,0,0|2,0,0]=4 17685 B10R1.151 CNC(=O)NC[C@@H]1CCO1 273464a_100020831831_100102657272 [0,1,0,1,0,0|2,0,0]=4 17686 B10R1.151 CNC(=O)NC[C@@H]1CCO1 273464a_100102657272_100020831831 [0,1,0,1,0,0|2,0,0]=4 17687 B10R1.151 CNC(=O)NC[C@@H]1CCO1 512a_100020831831_100102657272 [0,1,0,1,0,0|2,0,0]=4 17688 B10R1.151 CNC(=O)NC[C@@H]1CCO1 512a_106832991638_100020831831 [0,1,0,1,0,0|2,0,0]=4 17689 B10R1.151 CNC(=O)NNC1CCC1 273464a_100102657272_100000736358 [0,1,0,1,0,0|2,0,0]=4 17690 B10R1.151 CNC(=O)NNC1CCC1 512a_100000736358_100102657272 [0,1,0,1,0,0|2,0,0]=4 17691 B10R1.151 CNC(=O)NNC1CCC1 512a_106832991638_100000736358 [0,1,0,1,0,0|2,0,0]=4 17692 B10R1.151 COC(=O)CCN1CCC1 269982a_100000754969_100000204255 [0,1,0,1,0,0|1,0,0]=3 17693 B10R1.151 COC(=O)CNC1CCC1 2230a_100000749019_100000747449 [0,1,0,1,0,0|1,0,0]=3 17694 B10R1.151 COC(=O)CNC1CCC1 34a_100000749019_100000747449 [0,1,0,1,0,0|1,0,0]=3 17695 B10R1.151 COC(=O)CNC1COC1 2230a_100016991112_100000747449 [0,1,0,1,0,0|2,0,0]=4 17696 B10R1.151 COC(=O)COC1CCC1 34a_100000748187_100000747449 [0,1,0,1,0,0|1,0,0]=3 17697 B10R1.151 COC(=O)COC1CSC1 7a_100000072292_100000747449 [0,1,0,1,0,0|2,0,0]=4 17698 B10R1.151 COC(=O)CSC1CCC1 62a_100000747449_100000749161 [0,1,0,1,0,0|1,0,0]=3 17699 B10R1.151 COC(=O)CSC1COC1 62a_100000747449_100009818527 [0,1,0,1,0,0|2,0,0]=4 17700 B10R1.151 O=C(CO)NCC1CCC1 240690a_100000738700_100000210174 [0,1,0,1,0,0|1,0,0]=3 17701 B10R1.151 O=C(CO)NCC1CCC1 527a_100000738700_100000210174 [0,1,0,1,0,0|1,0,0]=3 17702 B10R1.151 O=C(CO)NCC1COC1 240690a_100015281925_100000210174 [0,1,0,1,0,0|2,0,0]=4 17703 B10R1.151 O=C(CO)NCC1COC1 527a_100015281925_100000210174 [0,1,0,1,0,0|2,0,0]=4 17704 B10R1.151 O=C(CO)NC[C@@H]1CCO1 240690a_100020831831_100000210174 [0,1,0,1,0,0|2,0,0]=4 17705 B10R1.151 O=C(CO)NC[C@@H]1CCO1 527a_100020831831_100000210174 [0,1,0,1,0,0|2,0,0]=4 17706 B10R1.151 O=C(CO)NNC1CCC1 22a_100000736358_100000210174 [0,1,0,1,0,0|2,0,0]=4 17707 B10R1.161 CCN1CCCCCCC1 2230a_100000211400_100000210202 [0,1,0,1,0,0|2,0,0]=4 17708 B10R1.161 CCN1CCCCCCC1 269982a_100000211400_100000204670 [0,1,0,1,0,0|2,0,0]=4 17709 B10R1.161 CCN1CCCCCCC1 34a_100000211400_100000210202 [0,1,0,1,0,0|2,0,0]=4 17710 B10R1.161 CNC1CCCCCCC1 2230a_100000211152_200000210301 [0,1,0,1,0,0|1,0,1]=4 17711 B10R1.161 CNC1CCCCCCC1 270004a_106832991635_100000210524 [0,1,0,1,0,0|1,0,1]=4 17712 B10R1.161 CNC1CCCCCCC1 34a_100000211152_200000210301 [0,1,0,1,0,0|1,0,1]=4 17713 B10R1.161 COC1CCCCCCC1 34a_100000210054_200000210301 [0,1,0,1,0,0|0,0,2]=4 17714 B10R1.161 COC1CCCCCCC1 7a_100000210054_200000210301 [0,1,0,1,0,0|0,0,2]=4 17715 B10R1.161 FCN1CCCCCCC1 269982a_100000211400_100015361967 [0,1,0,1,0,0|2,0,0]=4 17716 B10R1.161 FCN1CCCCCCC1 34a_100000211400_100015361967 [0,1,0,1,0,0|2,0,0]=4 17717 B10R1.161 [13CH3]NC1CCCCCCC1 2230a_100000211152_200025704644 [0,1,0,1,0,0|1,0,1]=4 17718 B10R1.161 [13CH3]NC1CCCCCCC1 34a_100000211152_200025704644 [0,1,0,1,0,0|1,0,1]=4 17719 B10R1.161 [13CH3]OC1CCCCCCC1 34a_100000210054_200025704644 [0,1,0,1,0,0|0,0,2]=4 17720 B10R1.161 [13CH3]OC1CCCCCCC1 7a_100000210054_200025704644 [0,1,0,1,0,0|0,0,2]=4 17721 B10R1.172 CCC1CCCC(C1)NC 270004a_106832991635_100000756783 [0,1,0,1,0,0|1,0,1]=4 17722 B10R1.172 CCC1CCCC(C1)OC 7a_100011985506_200000210301 [0,1,0,1,0,0|0,0,2]=4 17723 B10R1.172 CCC1CCCC(C1)O[13CH3] 7a_100011985506_200025704644 [0,1,0,1,0,0|0,0,2]=4 17724 B10R1.175 CCN1CC[C@H]1C(=O)OC 2230a_102516456887_100000210202 [0,1,0,1,0,0|1,0,0]=3 17725 B10R1.175 CCN1CC[C@H]1C(=O)OC 269982a_102516456887_100000204670 [0,1,0,1,0,0|1,0,0]=3 17726 B10R1.175 COC(=O)[C@@H]1CCN1CF 269982a_102516456887_100015361967 [0,1,0,1,0,0|2,0,0]=4 17727 B10R1.232 CC1(CCCCCC1)N[13CH3] 2230a_100000704638_200025704644 [0,1,0,1,0,0|1,0,1]=4 17728 B10R1.232 CC1(CCCCCC1)N[13CH3] 34a_100000704638_200025704644 [0,1,0,1,0,0|1,0,1]=4 17729 B10R1.232 CC1(CCCCCC1)O[13CH3] 34a_100000708895_200025704644 [0,1,0,1,0,0|0,0,2]=4 17730 B10R1.232 CC1(CCCCCC1)O[13CH3] 7a_100000708895_200025704644 [0,1,0,1,0,0|0,0,2]=4 17731 B10R1.232 CNC1(CCCCCC1)C 2230a_100000704638_200000210301 [0,1,0,1,0,0|1,0,1]=4 17732 B10R1.232 CNC1(CCCCCC1)C 34a_100000704638_200000210301 [0,1,0,1,0,0|1,0,1]=4 17733 B10R1.232 COC1(CCCCCC1)C 34a_100000708895_200000210301 [0,1,0,1,0,0|0,0,2]=4 17734 B10R1.232 COC1(CCCCCC1)C 7a_100000708895_200000210301 [0,1,0,1,0,0|0,0,2]=4 17735 B10R1.463 CCC(=O)CN1CCC1C 269982a_100000755817_100000747405 [0,1,0,1,0,0|1,0,0]=3 17736 B10R1.463 CNC(=O)CN1CCC1C 269982a_100000755817_100000183359 [0,1,0,1,0,0|1,0,0]=3 17737 B10R1.463 CNC(=O)CN1CCC1C 34a_100000755817_100000183359 [0,1,0,1,0,0|1,0,0]=3 17738 B10R1.463 COC(=O)CN1CCC1C 269982a_100000755817_100000747449 [0,1,0,1,0,0|1,0,0]=3 17739 B10R1.463 COC(=O)CN1CCC1C 34a_100000755817_100000747449 [0,1,0,1,0,0|1,0,0]=3 17740 B10R1.23 C=C(C)C(=O)C1CCCC1 1458a_100000185857_100000179811 [0,1,0,1,0,0|1,0,1]=4 17741 B10R1.23 CC(=O)C(C)N1CCCC1 1458a_100025750167_200000210301 [0,1,0,1,0,0|1,0,0]=3 17742 B10R1.23 CC(=O)C(C)N1CCCC1 2230a_100000188435_100009814033 [0,1,0,1,0,0|1,0,0]=3 17743 B10R1.23 CC(=O)C(C)N1CCCC1 269982a_100000188435_100009814033 [0,1,0,1,0,0|1,0,0]=3 17744 B10R1.23 CC(=O)C(C)N1CCSC1 2230a_100011215254_100009814033 [0,1,0,1,0,0|2,0,0]=4 17745 B10R1.23 CC(=O)C(C)N1CCSC1 269982a_100011215254_100009814033 [0,1,0,1,0,0|2,0,0]=4 17746 B10R1.23 CC(=O)N(C)C1CCCC1 11a_100000207505_100015343762 [0,1,0,1,0,0|1,0,0]=3 17747 B10R1.23 CC(=O)N(C)C1CCCC1 1626a_100000207505_100015343762 [0,1,0,1,0,0|1,0,0]=3 17748 B10R1.23 CC(=O)N(C)C1CCCC1 240690a_100000207505_100015343762 [0,1,0,1,0,0|1,0,0]=3 17749 B10R1.23 CC(=O)N(C)C1CCCC1 527a_100000207505_100103153847 [0,1,0,1,0,0|1,0,0]=3 17750 B10R1.23 CC(=O)N(C)C1CCOC1 11a_100016988252_100015343762 [0,1,0,1,0,0|2,0,0]=4 17751 B10R1.23 CC(=O)N(C)C1CCOC1 1626a_100016988252_100015343762 [0,1,0,1,0,0|2,0,0]=4 17752 B10R1.23 CC(=O)N(C)C1CCOC1 240690a_100016988252_100015343762 [0,1,0,1,0,0|2,0,0]=4 17753 B10R1.23 CC(=O)N(C)C1CCOC1 527a_100016988252_100103153847 [0,1,0,1,0,0|2,0,0]=4 17754 B10R1.23 CC(C(=O)N)N1CCCC1 2230a_100000188435_100000702099 [0,1,0,1,0,0|2,0,0]=4 17755 B10R1.23 CC(C(=O)N)N1CCCC1 269982a_100000188435_100000184083 [0,1,0,1,0,0|2,0,0]=4 17756 B10R1.23 CC(C(=O)[13CH3])N1CCCC1 1458a_100025750167_200025704644 [0,1,0,1,0,0|1,0,0]=3 17757 B10R1.23 CC(C1CCCC1)N(C)C 2230a_106630658171_200000210301 [0,1,0,1,0,0|2,0,0]=4 17758 B10R1.23 CC(C1CCCC1)N(C)C 269982a_106630658171_200000210301 [0,1,0,1,0,0|2,0,0]=4 17759 B10R1.23 CC(C1CCCC1)N(C)C 270004a_100102631434_100000749594 [0,1,0,1,0,0|2,0,0]=4 17760 B10R1.23 CC(C1CCCC1)N(C)C 34a_106630658171_200000210301 [0,1,0,1,0,0|2,0,0]=4 17761 B10R1.23 CC(C1CCCC1)N(C)[13CH3] 2230a_106630658171_200025704644 [0,1,0,1,0,0|2,0,0]=4 17762 B10R1.23 CC(C1CCCC1)N(C)[13CH3] 269982a_106630658171_200025704644 [0,1,0,1,0,0|2,0,0]=4 17763 B10R1.23 CC(C1CCCC1)N(C)[13CH3] 34a_106630658171_200025704644 [0,1,0,1,0,0|2,0,0]=4 17764 B10R1.23 NC(=O)C(F)N1CCCC1 2230a_100000188435_100009813875 [0,1,0,1,0,0|2,0,0]=4 17765 B10R1.23 NC(=O)C(F)N1CCCC1 269982a_100000188435_100009813875 [0,1,0,1,0,0|2,0,0]=4 17766 B10R1.93 CCCN1CC(C1)C(=O)N 34a_100025753142_100000210303 [0,1,0,1,0,0|2,0,0]=4 17767 B10R1.93 CCNC1CN(C1)C(=O)C 2230a_100102955437_100000210202 [0,1,0,1,0,0|2,0,0]=4 17768 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 17769 B10R1.93 CCOC1CN(C1)C(=O)C 11a_100000732654_100015343762 [0,1,0,1,0,0|2,0,0]=4 17770 B10R1.93 CCOC1CN(C1)C(=O)C 1626a_100000732654_100015343762 [0,1,0,1,0,0|2,0,0]=4 17771 B10R1.93 CCOC1CN(C1)C(=O)C 240690a_100000732654_100015343762 [0,1,0,1,0,0|2,0,0]=4 17772 B10R1.93 CCOC1CN(C1)C(=O)C 527a_100000732654_100103153847 [0,1,0,1,0,0|2,0,0]=4 17773 B10R1.93 COCC1CC(C1)C(=O)C 1458a_100000138301_200000210301 [0,1,0,1,0,0|1,0,0]=3 17774 B10R1.93 COCC1CC(C1)C(=O)[13CH3] 1458a_100000138301_200025704644 [0,1,0,1,0,0|1,0,0]=3 17775 B10R1.93 COCC1CN(C1)C(=O)C 11a_100016993750_100015343762 [0,1,0,1,0,0|2,0,0]=4 17776 B10R1.93 COCC1CN(C1)C(=O)C 240690a_100016993750_100015343762 [0,1,0,1,0,0|2,0,0]=4 17777 B10R1.93 COCC1CN(C1)C(=O)C 527a_100016993750_100103153847 [0,1,0,1,0,0|2,0,0]=4 17778 B10R1.113 CC(=O)C1CCCC(C1)C 1458a_100011215569_200000210301 [0,1,0,1,0,0|0,0,0]=2 17779 B10R1.113 CC(=O)C1CCCC(C1)O 1458a_100000707227_200000210301 [0,1,0,1,0,0|0,0,0]=2 17780 B10R1.113 CC(=O)C1CCCN(C1)C 1458a_100015257587_200000210301 [0,1,0,1,0,0|1,0,0]=3 17781 B10R1.113 CC(=O)C1CCNC(=O)C1 1458a_100000132800_200000210301 [0,1,0,1,0,0|1,0,1]=4 17782 B10R1.113 CC(=O)C1CN(CCO1)C 1458a_100011543126_200000210301 [0,1,0,1,0,0|2,0,0]=4 17783 B10R1.113 CC(=O)N1CCCC(C1)F 11a_100000697950_100015343762 [0,1,0,1,0,0|1,0,0]=3 17784 B10R1.113 CC(=O)N1CCCC(C1)F 1626a_100000697950_100015343762 [0,1,0,1,0,0|1,0,0]=3 17785 B10R1.113 CC(=O)N1CCCC(C1)F 240690a_100000697950_100015343762 [0,1,0,1,0,0|1,0,0]=3 17786 B10R1.113 CC(=O)N1CCCC(C1)F 527a_100000697950_100103153847 [0,1,0,1,0,0|1,0,0]=3 17787 B10R1.113 CC(=O)N1CCCC(C1)O 240690a_100000211013_100015343762 [0,1,0,1,0,0|1,0,0]=3 17788 B10R1.113 CC(=O)N1CCCC(C1)O 527a_100000211013_100103153847 [0,1,0,1,0,0|1,0,0]=3 17789 B10R1.113 CC(=O)N1CCC[C@@H](C1)C 11a_100000717927_100015343762 [0,1,0,1,0,0|1,0,0]=3 17790 B10R1.113 CC(=O)N1CCC[C@@H](C1)C 240690a_100000717927_100015343762 [0,1,0,1,0,0|1,0,0]=3 17791 B10R1.113 CC(=O)N1CCC[C@@H](C1)C 527a_100000717927_100103153847 [0,1,0,1,0,0|1,0,0]=3 17792 B10R1.113 CC(=O)N1CCOC(C1)C 11a_100000729577_100015343762 [0,1,0,1,0,0|2,0,0]=4 17793 B10R1.113 CC(=O)N1CCOC(C1)C 1626a_100000729577_100015343762 [0,1,0,1,0,0|2,0,0]=4 17794 B10R1.113 CC(=O)N1CCOC(C1)C 240690a_100000729577_100015343762 [0,1,0,1,0,0|2,0,0]=4 17795 B10R1.113 CC(=O)N1CCOC(C1)C 527a_100000729577_100103153847 [0,1,0,1,0,0|2,0,0]=4 17796 B10R1.113 CC(=O)N1CCOC(C1)O 11a_100000688207_100015343762 [0,1,0,1,0,0|2,0,0]=4 17797 B10R1.113 CC(=O)N1CCOC(C1)O 240690a_100000688207_100015343762 [0,1,0,1,0,0|2,0,0]=4 17798 B10R1.113 CC(=O)N1CCOC(C1)O 527a_100000688207_100103153847 [0,1,0,1,0,0|2,0,0]=4 17799 B10R1.113 CC(=O)[C@@H]1CCN=C(N1)C 1458a_100015271614_200000210301 [0,1,0,1,0,0|1,0,1]=4 17800 B10R1.113 CC(=O)[C@H]1CCCC(=O)N1 1458a_100000705292_200000210301 [0,1,0,1,0,0|1,0,1]=4 17801 B10R1.113 CC(C)N1CCNC(=O)C1 2230a_100000184651_100000210206 [0,1,0,1,0,0|2,0,0]=4 17802 B10R1.113 CC(C)N1CCOC(=O)C1 2230a_100000131268_100000210206 [0,1,0,1,0,0|2,0,0]=4 17803 B10R1.113 CC(O)C1CCCN(C1)C 2230a_100000740858_200000210301 [0,1,0,1,0,0|2,0,0]=4 17804 B10R1.113 CC(O)C1CCCN(C1)C 269982a_100000740858_200000210301 [0,1,0,1,0,0|2,0,0]=4 17805 B10R1.113 CC(O)C1CCCN(C1)C 34a_100000740858_200000210301 [0,1,0,1,0,0|2,0,0]=4 17806 B10R1.113 CC(O)C1CCCN(C1)[13CH3] 2230a_100000740858_200025704644 [0,1,0,1,0,0|2,0,0]=4 17807 B10R1.113 CC(O)C1CCCN(C1)[13CH3] 269982a_100000740858_200025704644 [0,1,0,1,0,0|2,0,0]=4 17808 B10R1.113 CC(O)C1CCCN(C1)[13CH3] 34a_100000740858_200025704644 [0,1,0,1,0,0|2,0,0]=4 17809 B10R1.113 CC1=NCC[C@H](N1)C(=O)[13CH3] 1458a_100015271614_200025704644 [0,1,0,1,0,0|1,0,1]=4 17810 B10R1.113 CC1CCCC(C1)C(=O)[13CH3] 1458a_100011215569_200025704644 [0,1,0,1,0,0|0,0,0]=2 17811 B10R1.113 CC1CCCC(C1)N(C)C 270004a_100102631434_100000183594 [0,1,0,1,0,0|2,0,0]=4 17812 B10R1.113 CN(C)C1CCCC(C1)O 270004a_100102631434_100012613340 [0,1,0,1,0,0|2,0,0]=4 17813 B10R1.113 CN1CCCC(C1)C(=O)N 2230a_100000195536_200000210301 [0,1,0,1,0,0|2,0,0]=4 17814 B10R1.113 CN1CCCC(C1)C(=O)N 269982a_100000195536_200000210301 [0,1,0,1,0,0|2,0,0]=4 17815 B10R1.113 CN1CCCC(C1)C(=O)N 34a_100000195536_200000210301 [0,1,0,1,0,0|2,0,0]=4 17816 B10R1.113 CN1CCCC(C1)C(=O)[13CH3] 1458a_100015257587_200025704644 [0,1,0,1,0,0|1,0,0]=3 17817 B10R1.113 CN1CCOC(C1)C(=O)[13CH3] 1458a_100011543126_200025704644 [0,1,0,1,0,0|2,0,0]=4 17818 B10R1.113 [13CH3]C(=O)C1CCCC(C1)O 1458a_100000707227_200025704644 [0,1,0,1,0,0|0,0,0]=2 17819 B10R1.113 [13CH3]C(=O)C1CCNC(=O)C1 1458a_100000132800_200025704644 [0,1,0,1,0,0|1,0,1]=4 17820 B10R1.113 [13CH3]C(=O)[C@H]1CCCC(=O)N1 1458a_100000705292_200025704644 [0,1,0,1,0,0|1,0,1]=4 17821 B10R1.113 [13CH3]N1CCCC(C1)C(=O)N 2230a_100000195536_200025704644 [0,1,0,1,0,0|2,0,0]=4 17822 B10R1.113 [13CH3]N1CCCC(C1)C(=O)N 269982a_100000195536_200025704644 [0,1,0,1,0,0|2,0,0]=4 17823 B10R1.113 [13CH3]N1CCCC(C1)C(=O)N 34a_100000195536_200025704644 [0,1,0,1,0,0|2,0,0]=4 17824 B10R1.116 CC(=O)C(C)N1CCC1C 269982a_100000755817_100009814033 [0,1,0,1,0,0|1,0,0]=3 17825 B10R1.116 CC1CCN1C(C)C(=O)N 269982a_100000755817_100000184083 [0,1,0,1,0,0|2,0,0]=4 17826 B10R1.116 CC1CCN1C(C)C(=O)N 34a_100000755817_100000702099 [0,1,0,1,0,0|2,0,0]=4 17827 B10R1.116 CC1CCN1C(F)C(=O)N 269982a_100000755817_100009813875 [0,1,0,1,0,0|2,0,0]=4 17828 B10R1.116 CC1CCN1C(F)C(=O)N 34a_100000755817_100009813875 [0,1,0,1,0,0|2,0,0]=4 17829 B10R1.116 CC1CCN1C(F)C(=O)[O-] 34a_100000755817_100020610796 [0,1,0,1,0,0|2,0,0]=4 17830 B10R1.131 CCNC1CC(=O)N(C1)C 2230a_100000748898_100000210202 [0,1,0,1,0,0|2,0,0]=4 17831 B10R1.131 CCNC1CC(=O)N(C1)C 34a_100000748898_100000210202 [0,1,0,1,0,0|2,0,0]=4 17832 B10R1.131 CN1CC(CC1=O)CO[13CH3] 34a_100015185614_200025704644 [0,1,0,1,0,0|2,0,0]=4 17833 B10R1.131 COCC1CC(=O)N(C1)C 34a_100015185614_200000210301 [0,1,0,1,0,0|2,0,0]=4 17834 B10R1.176 CCC1CCC(N(C1)C)C 2230a_100011219223_200000210301 [0,1,0,1,0,0|2,0,0]=4 17835 B10R1.176 CCC1CCC(N(C1)C)C 269982a_100011219223_200000210301 [0,1,0,1,0,0|2,0,0]=4 17836 B10R1.176 CCC1CCC(N(C1)C)C 34a_100011219223_200000210301 [0,1,0,1,0,0|2,0,0]=4 17837 B10R1.176 CCC1CCC(N(C1)[13CH3])C 2230a_100011219223_200025704644 [0,1,0,1,0,0|2,0,0]=4 17838 B10R1.176 CCC1CCC(N(C1)[13CH3])C 269982a_100011219223_200025704644 [0,1,0,1,0,0|2,0,0]=4 17839 B10R1.176 CCC1CCC(N(C1)[13CH3])C 34a_100011219223_200025704644 [0,1,0,1,0,0|2,0,0]=4 17840 B10R1.176 CCN1CCN(C(=O)C1)C 2230a_100000187256_100000210202 [0,1,0,1,0,0|2,0,0]=4 17841 B10R1.176 CCN1CCN(C(=O)C1)C 269982a_100000187256_100000204670 [0,1,0,1,0,0|2,0,0]=4 17842 B10R1.176 CN1CCC(CC1=O)N[13CH3] 2230a_100000126938_200025704644 [0,1,0,1,0,0|2,0,0]=4 17843 B10R1.176 CN1CCC(CC1=O)N[13CH3] 34a_100000126938_200025704644 [0,1,0,1,0,0|2,0,0]=4 17844 B10R1.176 CNC1CCN(C(=O)C1)C 2230a_100000126938_200000210301 [0,1,0,1,0,0|2,0,0]=4 17845 B10R1.176 CNC1CCN(C(=O)C1)C 34a_100000126938_200000210301 [0,1,0,1,0,0|2,0,0]=4 17846 B10R1.190 CC(=O)C(C)N[C@@H]1C[C@@H]1F 2230a_100015190264_100009814033 [0,1,0,1,0,0|2,0,0]=4 17847 B10R1.190 CC(=O)C(C)N[C@@H]1C[C@H]1F 2230a_100025746932_100009814033 [0,1,0,1,0,0|2,0,0]=4 17848 B10R1.204 C=C(C)C(=O)CC1CCC1 1458a_100000185857_100000763275 [0,1,0,1,0,0|1,0,1]=4 17849 B10R1.204 C=C(C)C(C)NC1CCC1 269862a_100000749019_100011216138 [0,1,0,1,0,0|2,0,0]=4 17850 B10R1.204 CC(=O)C(=O)CN1CCC1 269982a_100000754969_100011261029 [0,1,0,1,0,0|1,0,1]=4 17851 B10R1.204 CC(=O)C(C)NC1CCC1 2230a_100000749019_100009814033 [0,1,0,1,0,0|1,0,0]=3 17852 B10R1.204 CC(=O)C(C)NC1COC1 2230a_100016991112_100009814033 [0,1,0,1,0,0|2,0,0]=4 17853 B10R1.204 CC(=O)C(C)OC1CCC1 34a_100000212229_100000749161 [0,1,0,1,0,0|1,0,0]=3 17854 B10R1.204 CC(=O)C(C)OC1COC1 34a_100000212229_100009818527 [0,1,0,1,0,0|2,0,0]=4 17855 B10R1.204 CC(=O)C(C)OC1CSC1 7a_100000072292_100000179758 [0,1,0,1,0,0|2,0,0]=4 17856 B10R1.204 CC(=O)C(C)SC1CCC1 62a_100009814033_100000749161 [0,1,0,1,0,0|1,0,0]=3 17857 B10R1.204 CC(=O)C(C)SC1COC1 62a_100009814033_100009818527 [0,1,0,1,0,0|2,0,0]=4 17858 B10R1.204 CC(=O)N(C)CC1CCC1 11a_200000750244_100015343762 [0,1,0,1,0,0|1,0,0]=3 17859 B10R1.204 CC(=O)N(C)CC1CCC1 1626a_200000750244_100015343762 [0,1,0,1,0,0|1,0,0]=3 17860 B10R1.204 CC(=O)N(C)CC1CCC1 240690a_200000750244_100015343762 [0,1,0,1,0,0|1,0,0]=3 17861 B10R1.204 CC(=O)N(C)CC1CCC1 527a_200000750244_100103153847 [0,1,0,1,0,0|1,0,0]=3 17862 B10R1.204 CC(NC1CCC1)C(=O)N 2230a_100000749019_100000702099 [0,1,0,1,0,0|2,0,0]=4 17863 B10R1.204 CC(NC1CCC1)C(=O)N 34a_100000749019_100000702099 [0,1,0,1,0,0|2,0,0]=4 17864 B10R1.204 CC(OC1CCC1)C(=O)N 34a_100000748187_100000702099 [0,1,0,1,0,0|2,0,0]=4 17865 B10R1.204 CC(SC1CCC1)C(=O)N 62a_100000702099_100000749161 [0,1,0,1,0,0|2,0,0]=4 17866 B10R1.204 C[C@@H](NC1CCC1)C(=O)N 270004a_100000119354_100000241760 [0,1,0,1,0,0|2,0,0]=4 17867 B10R1.204 C[C@@H](NC1CCC1)C(=O)N 34a_100000119354_100000749161 [0,1,0,1,0,0|2,0,0]=4 17868 B10R1.204 C[C@@H](OC1CCC1)C(=O)N 34a_100000731257_100000749161 [0,1,0,1,0,0|2,0,0]=4 17869 B10R1.204 C[C@H](NC1CCC1)C(=O)O 269956a_100000743915_100000749161 [0,1,0,1,0,0|2,0,0]=4 17870 B10R1.204 NC(=O)C(F)NC1CCC1 2230a_100000749019_100009813875 [0,1,0,1,0,0|2,0,0]=4 17871 B10R1.204 NC(=O)C(F)NC1CCC1 34a_100000749019_100009813875 [0,1,0,1,0,0|2,0,0]=4 17872 B10R1.204 NC(=O)C(F)OC1CCC1 34a_100000748187_100009813875 [0,1,0,1,0,0|2,0,0]=4 17873 B10R1.204 NC(=O)C(F)SC1CCC1 62a_100009813875_100000749161 [0,1,0,1,0,0|2,0,0]=4 17874 B10R1.204 O=C([O-])C(F)NC1CCC1 34a_100000749019_100020610796 [0,1,0,1,0,0|2,0,0]=4 17875 B10R1.204 O=C([O-])C(F)OC1CCC1 34a_100000748187_100020610796 [0,1,0,1,0,0|2,0,0]=4 17876 B10R1.204 O=C([O-])C(F)SC1CCC1 62a_100020610796_100000749161 [0,1,0,1,0,0|2,0,0]=4 17877 B10R1.205 C=C(C)C(=O)CCC1CC1 1458a_100000185857_100000694398 [0,1,0,1,0,0|1,0,1]=4 17878 B10R1.205 CC(=O)C(=O)CNC1CC1 34a_100000212008_100011261029 [0,1,0,1,0,0|1,0,1]=4 17879 B10R1.205 CC(=O)C(=O)CSC1CC1 62a_100011261029_100000211595 [0,1,0,1,0,0|1,0,1]=4 17880 B10R1.205 CC(=O)C(C)COC1CC1 34a_100000032740_100000211595 [0,1,0,1,0,0|1,0,0]=3 17881 B10R1.205 CC(=O)C(C)NCC1CC1 2230a_100000735609_100009814033 [0,1,0,1,0,0|1,0,0]=3 17882 B10R1.205 CC(=O)C(C)OCC1CC1 34a_100000212229_100000742324 [0,1,0,1,0,0|1,0,0]=3 17883 B10R1.205 CC(=O)C(C)OCC1CO1 34a_100000212229_102125554688 [0,1,0,1,0,0|2,0,0]=4 17884 B10R1.205 CC(=O)C(C)SCC1CC1 62a_100000756562_100009814033 [0,1,0,1,0,0|1,0,0]=3 17885 B10R1.205 CC(=O)C(C)SCC1CC1 62a_100009814033_100000742324 [0,1,0,1,0,0|1,0,0]=3 17886 B10R1.205 CC(=O)C(C)SCC1CO1 62a_100009814033_102125554688 [0,1,0,1,0,0|2,0,0]=4 17887 B10R1.205 CC(=O)C(C)SCC1CO1 62a_102125554688_100009814033 [0,1,0,1,0,0|2,0,0]=4 17888 B10R1.205 CC(=O)C(C)SCC1CS1 62a_100000031435_100009814033 [0,1,0,1,0,0|2,0,0]=4 17889 B10R1.205 CC(=O)C(C)SCC1CS1 62a_100009814033_100000031435 [0,1,0,1,0,0|2,0,0]=4 17890 B10R1.205 CC(=O)C(C)SC[C@@H]1CO1 62a_100000745022_100009814033 [0,1,0,1,0,0|2,0,0]=4 17891 B10R1.205 CC(=O)C(C)SC[C@@H]1CO1 62a_100009814033_100000745022 [0,1,0,1,0,0|2,0,0]=4 17892 B10R1.205 CC(CNC1CC1)C(=O)O 269956a_100000749485_100000211595 [0,1,0,1,0,0|2,0,0]=4 17893 B10R1.205 CC(NCC1CC1)C(=O)N 2230a_100000735609_100000702099 [0,1,0,1,0,0|2,0,0]=4 17894 B10R1.205 CC(NCC1CC1)C(=O)N 34a_100000735609_100000702099 [0,1,0,1,0,0|2,0,0]=4 17895 B10R1.205 CC(OCC1CC1)C(=O)N 34a_100000211283_100000702099 [0,1,0,1,0,0|2,0,0]=4 17896 B10R1.205 CC(SCC1CC1)C(=O)N 62a_100000702099_100000742324 [0,1,0,1,0,0|2,0,0]=4 17897 B10R1.205 CC(SCC1CC1)C(=O)N 62a_100000756562_100000702099 [0,1,0,1,0,0|2,0,0]=4 17898 B10R1.205 C[C@@H](NCC1CC1)C(=O)N 2230a_100000119354_100000742324 [0,1,0,1,0,0|2,0,0]=4 17899 B10R1.205 C[C@@H](NCC1CC1)C(=O)N 34a_100000119354_100000742324 [0,1,0,1,0,0|2,0,0]=4 17900 B10R1.205 C[C@@H](OCC1CC1)C(=O)N 34a_100000731257_100000742324 [0,1,0,1,0,0|2,0,0]=4 17901 B10R1.205 C[C@@H](OCC1CC1)C(=O)N 7a_100000731257_100000742324 [0,1,0,1,0,0|2,0,0]=4 17902 B10R1.205 C[C@H](NCC1CC1)C(=O)O 269956a_100000743915_100000742324 [0,1,0,1,0,0|2,0,0]=4 17903 B10R1.205 C[C@H](OCC1CC1)C(=O)[O-] 7a_217856618621_100000742324 [0,1,0,1,0,0|2,0,0]=4 17904 B10R1.205 NC(=O)C(F)NCC1CC1 2230a_100000735609_100009813875 [0,1,0,1,0,0|2,0,0]=4 17905 B10R1.205 NC(=O)C(F)NCC1CC1 34a_100000735609_100009813875 [0,1,0,1,0,0|2,0,0]=4 17906 B10R1.205 NC(=O)C(F)OCC1CC1 34a_100000211283_100009813875 [0,1,0,1,0,0|2,0,0]=4 17907 B10R1.205 NC(=O)C(F)SCC1CC1 62a_100000756562_100009813875 [0,1,0,1,0,0|2,0,0]=4 17908 B10R1.205 NC(=O)C(F)SCC1CC1 62a_100009813875_100000742324 [0,1,0,1,0,0|2,0,0]=4 17909 B10R1.205 NC(=O)[C@@H](N)COC1CC1 34a_100000729942_100000211595 [0,1,0,1,0,0|2,0,0]=4 17910 B10R1.205 O=C(O)C(F)CNC1CC1 269956a_100000084737_100000211595 [0,1,0,1,0,0|2,0,0]=4 17911 B10R1.205 O=C([O-])C(F)NCC1CC1 34a_100000735609_100020610796 [0,1,0,1,0,0|2,0,0]=4 17912 B10R1.205 O=C([O-])C(F)OCC1CC1 34a_100000211283_100020610796 [0,1,0,1,0,0|2,0,0]=4 17913 B10R1.205 O=C([O-])C(F)SCC1CC1 62a_100000756562_100020610796 [0,1,0,1,0,0|2,0,0]=4 17914 B10R1.205 O=C([O-])C(F)SCC1CC1 62a_100020610796_100000742324 [0,1,0,1,0,0|2,0,0]=4 17915 B10R1.291 CN1CCC[C@@]1(C)C(=O)O 269956a_100009816582_200000210301 [0,1,0,1,0,0|2,0,0]=4 17916 B10R1.291 C[C@]1(CCCN1[13CH3])C(=O)O 269956a_100009816582_200025704644 [0,1,0,1,0,0|2,0,0]=4 17917 B10R1.363 CC(=O)C1(CCCCC1)C 1458a_100000762840_200000210301 [0,1,0,1,0,0|0,0,0]=2 17918 B10R1.363 CC(=O)C1(CCCCC1)F 1458a_100000069003_200000210301 [0,1,0,1,0,0|0,0,0]=2 17919 B10R1.363 CC(=O)C1(CCCCC1)O 1458a_100000242742_200000210301 [0,1,0,1,0,0|0,0,0]=2 17920 B10R1.363 CC(=O)C1(CCOCC1)C 1458a_100000749465_200000210301 [0,1,0,1,0,0|1,0,0]=3 17921 B10R1.363 CC(=O)C1(CCOCC1)F 1458a_100009845733_200000210301 [0,1,0,1,0,0|1,0,0]=3 17922 B10R1.363 CC(=O)C1(CCOCC1)O 1458a_100000751969_200000210301 [0,1,0,1,0,0|1,0,0]=3 17923 B10R1.363 CC1(CCCCC1)C(=O)[13CH3] 1458a_100000762840_200025704644 [0,1,0,1,0,0|0,0,0]=2 17924 B10R1.363 CC1(CCOCC1)C(=O)[13CH3] 1458a_100000749465_200025704644 [0,1,0,1,0,0|1,0,0]=3 17925 B10R1.363 [13CH3]C(=O)C1(CCCCC1)F 1458a_100000069003_200025704644 [0,1,0,1,0,0|0,0,0]=2 17926 B10R1.363 [13CH3]C(=O)C1(CCCCC1)O 1458a_100000242742_200025704644 [0,1,0,1,0,0|0,0,0]=2 17927 B10R1.363 [13CH3]C(=O)C1(CCOCC1)F 1458a_100009845733_200025704644 [0,1,0,1,0,0|1,0,0]=3 17928 B10R1.363 [13CH3]C(=O)C1(CCOCC1)O 1458a_100000751969_200025704644 [0,1,0,1,0,0|1,0,0]=3 17929 B10R1.59 CC(=O)[C@@H]1C[C@H](CN1C)O 1458a_100015191551_200000210301 [0,1,0,1,0,0|1,0,0]=3 17930 B10R1.59 CN1C[C@@H](C[C@H]1C(=O)N)O 2230a_100020587027_200000210301 [0,1,0,1,0,0|2,0,0]=4 17931 B10R1.59 CN1C[C@@H](C[C@H]1C(=O)N)O 269982a_100020587027_200000210301 [0,1,0,1,0,0|2,0,0]=4 17932 B10R1.59 CN1C[C@@H](C[C@H]1C(=O)[13CH3])O 1458a_100015191551_200025704644 [0,1,0,1,0,0|1,0,0]=3 17933 B10R1.59 CN1C[C@H](C[C@H]1C(=O)N)F 2230a_100020614896_200000210301 [0,1,0,1,0,0|2,0,0]=4 17934 B10R1.59 CN1C[C@H](C[C@H]1C(=O)N)F 269982a_100020614896_200000210301 [0,1,0,1,0,0|2,0,0]=4 17935 B10R1.59 CN1C[C@H](C[C@H]1C(=O)N)F 34a_100020614896_200000210301 [0,1,0,1,0,0|2,0,0]=4 17936 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 17937 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 17938 B10R1.59 [13CH3]N1C[C@@H](C[C@H]1C(=O)N)O 2230a_100020587027_200025704644 [0,1,0,1,0,0|2,0,0]=4 17939 B10R1.59 [13CH3]N1C[C@@H](C[C@H]1C(=O)N)O 269982a_100020587027_200025704644 [0,1,0,1,0,0|2,0,0]=4 17940 B10R1.59 [13CH3]N1C[C@H](C[C@H]1C(=O)N)F 2230a_100020614896_200025704644 [0,1,0,1,0,0|2,0,0]=4 17941 B10R1.59 [13CH3]N1C[C@H](C[C@H]1C(=O)N)F 269982a_100020614896_200025704644 [0,1,0,1,0,0|2,0,0]=4 17942 B10R1.59 [13CH3]N1C[C@H](C[C@H]1C(=O)N)F 34a_100020614896_200025704644 [0,1,0,1,0,0|2,0,0]=4 17943 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 17944 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 17945 B10R1.82 C=C(C)CCN1CC(C1)C 2230a_100000702820_100000730704 [0,1,0,1,0,0|2,0,0]=4 17946 B10R1.82 C=C(C)CCN1CC(C1)C 269982a_100000702820_100000730704 [0,1,0,1,0,0|2,0,0]=4 17947 B10R1.82 C=C(C)CCN1CC(C1)C 34a_100000702820_100000730704 [0,1,0,1,0,0|2,0,0]=4 17948 B10R1.82 C=C(C)CCN1CC(C1)F 2230a_100000690557_100000730704 [0,1,0,1,0,0|2,0,0]=4 17949 B10R1.82 C=C(C)CCN1CC(C1)F 269982a_100000690557_100000730704 [0,1,0,1,0,0|2,0,0]=4 17950 B10R1.82 C=C(C)CCN1CC(C1)F 34a_100000690557_100000730704 [0,1,0,1,0,0|2,0,0]=4 17951 B10R1.82 C=C(C)CCN1CC(C1)O 269982a_100000749847_100000730704 [0,1,0,1,0,0|2,0,0]=4 17952 B10R1.82 C=C(C)CNC1CC(C1)F 2230a_100016993743_100000748629 [0,1,0,1,0,0|2,0,0]=4 17953 B10R1.82 C=C(C)CN[C@H]1C[C@@H](C1)O 2230a_100020629032_100000748629 [0,1,0,1,0,0|2,0,0]=4 17954 B10R1.82 C=C(C)CSC1CC(=O)C1 62a_100009894365_100000211660 [0,1,0,1,0,0|1,0,1]=4 17955 B10R1.82 C=C1CC(C1)CNC(=O)C 11a_100102567296_100015343762 [0,1,0,1,0,0|1,0,1]=4 17956 B10R1.82 C=C1CC(C1)CNC(=O)C 1626a_100102567296_100015343762 [0,1,0,1,0,0|1,0,1]=4 17957 B10R1.82 C=C1CC(C1)CNC(=O)C 240690a_100102567296_100015343762 [0,1,0,1,0,0|1,0,1]=4 17958 B10R1.82 C=C1CC(C1)CNC(=O)C 527a_100102567296_100103153847 [0,1,0,1,0,0|1,0,1]=4 17959 B10R1.82 C=C1CC(C1)CNC(C)C 2230a_100102567296_100000210206 [0,1,0,1,0,0|2,0,0]=4 17960 B10R1.82 C=C1CC(C1)CNC(C)C 34a_100102567296_100000210206 [0,1,0,1,0,0|2,0,0]=4 17961 B10R1.82 C=C1CC(C1)COC(C)C 34a_100011011225_100000210206 [0,1,0,1,0,0|2,0,0]=4 17962 B10R1.82 C=C1CC(C1)NCC(C)C 2230a_100132301982_100000210760 [0,1,0,1,0,0|2,0,0]=4 17963 B10R1.82 C=C1CC(C1)NCC(C)C 270004a_100132301982_100000210432 [0,1,0,1,0,0|2,0,0]=4 17964 B10R1.82 C=C1CC(C1)NCC(C)O 2230a_100132301982_100011218427 [0,1,0,1,0,0|2,0,0]=4 17965 B10R1.82 C=C1CC(C1)NC[C@@H](C)O 2230a_100132301982_100009817552 [0,1,0,1,0,0|2,0,0]=4 17966 B10R1.82 CC(=O)CCN1CC(C1)C 269982a_100000702820_100000053229 [0,1,0,1,0,0|1,0,0]=3 17967 B10R1.82 CC(=O)CCN1CC(C1)F 269982a_100000690557_100000053229 [0,1,0,1,0,0|1,0,0]=3 17968 B10R1.82 CC(=O)CCN1CC(C1)O 269982a_100000749847_100000053229 [0,1,0,1,0,0|1,0,0]=3 17969 B10R1.82 CC(=O)NCC1CC(C1)O 11a_100016992100_100015343762 [0,1,0,1,0,0|1,0,0]=3 17970 B10R1.82 CC(=O)NCC1CC(C1)O 240690a_100016992100_100015343762 [0,1,0,1,0,0|1,0,0]=3 17971 B10R1.82 CC(=O)NCC1CN(C1)C 240690a_100000723568_100015343762 [0,1,0,1,0,0|2,0,0]=4 17972 B10R1.82 CC(=O)OCN1CC(C1)C 269982a_100000702820_100000076356 [0,1,0,1,0,0|2,0,0]=4 17973 B10R1.82 CC(=O)OCN1CC(C1)C 34a_100000702820_100009813279 [0,1,0,1,0,0|2,0,0]=4 17974 B10R1.82 CC(=O)OCN1CC(C1)F 269982a_100000690557_100000076356 [0,1,0,1,0,0|2,0,0]=4 17975 B10R1.82 CC(=O)OCN1CC(C1)F 34a_100000690557_100009813279 [0,1,0,1,0,0|2,0,0]=4 17976 B10R1.82 CC(=O)OCN1CC(C1)O 269982a_100000749847_100000076356 [0,1,0,1,0,0|2,0,0]=4 17977 B10R1.82 CC(C)CSC1CC(=O)C1 62a_100009894365_100000210760 [0,1,0,1,0,0|1,0,0]=3 17978 B10R1.82 CC(C)NCC1CC(=O)C1 2230a_100138425928_100009874392 [0,1,0,1,0,0|1,0,0]=3 17979 B10R1.82 CC(C)OCC1CC(=O)C1 34a_100000101936_100000210206 [0,1,0,1,0,0|1,0,0]=3 17980 B10R1.82 CC(C)SCC1CC(=O)C1 62a_100000210206_100009874392 [0,1,0,1,0,0|1,0,0]=3 17981 B10R1.82 CC(C)SCC1CC(=O)C1 62a_100009874392_100000210206 [0,1,0,1,0,0|1,0,0]=3 17982 B10R1.82 CC(O)CSC1CC(=O)C1 62a_100009894365_100011218427 [0,1,0,1,0,0|1,0,0]=3 17983 B10R1.82 CC1CN(C1)CCC(=O)N 2230a_100000702820_100000744528 [0,1,0,1,0,0|2,0,0]=4 17984 B10R1.82 CC1CN(C1)CCC(=O)N 269982a_100000702820_100000744528 [0,1,0,1,0,0|2,0,0]=4 17985 B10R1.82 CC1CN(C1)CCC(=O)N 34a_100000702820_100000731001 [0,1,0,1,0,0|2,0,0]=4 17986 B10R1.82 C[C@@H](O)CSC1CC(=O)C1 62a_100009894365_100009817552 [0,1,0,1,0,0|1,0,0]=3 17987 B10R1.82 NC(=O)CCN1CC(C1)F 2230a_100000690557_100000744528 [0,1,0,1,0,0|2,0,0]=4 17988 B10R1.82 NC(=O)CCN1CC(C1)F 269982a_100000690557_100000744528 [0,1,0,1,0,0|2,0,0]=4 17989 B10R1.82 NC(=O)CCN1CC(C1)F 34a_100000690557_100000731001 [0,1,0,1,0,0|2,0,0]=4 17990 B10R1.82 NC(=O)CCN1CC(C1)O 269982a_100000749847_100000744528 [0,1,0,1,0,0|2,0,0]=4 17991 B10R1.82 NC(=O)CNC1CC(C1)F 2230a_100016993743_100000747473 [0,1,0,1,0,0|2,0,0]=4 17992 B10R1.82 NC(=O)CN[C@H]1C[C@@H](C1)O 2230a_100020629032_100000747473 [0,1,0,1,0,0|2,0,0]=4 17993 B10R1.82 O=C1CC(C1)SCC(F)F 62a_100009894365_100011934356 [0,1,0,1,0,0|2,0,0]=4 17994 B10R1.140 C=C1CC(C1)C(=O)CCC 1458a_100000065620_100000210303 [0,1,0,1,0,0|1,0,1]=4 17995 B10R1.140 CCCC(=O)[C@@H]1CC(=O)N1 1458a_100016090685_100000210303 [0,1,0,1,0,0|1,0,1]=4 17996 B10R1.140 CCCN(C)C1CC(=O)C1 269982a_100000747261_100009894365 [0,1,0,1,0,0|1,0,0]=3 17997 B10R1.140 CN(CCO)C1CC(=O)C1 269982a_100000210263_100009894365 [0,1,0,1,0,0|2,0,0]=4 17998 B10R1.211 C=C(C)CCC(=O)C1CC1 1458a_100000210395_100000730704 [0,1,0,1,0,0|1,0,1]=4 17999 B10R1.211 C=C(C)CCN(C)C1CC1 2230a_100000226674_100000730704 [0,1,0,1,0,0|2,0,0]=4 18000 B10R1.211 C=C(C)CCN(C)C1CC1 269982a_100000226674_100000730704 [0,1,0,1,0,0|2,0,0]=4 18001 B10R1.211 C=C(C)CNC(C)C1CC1 2230a_100000700016_100000748629 [0,1,0,1,0,0|2,0,0]=4 18002 B10R1.211 C=C(C)CNC(C)C1CC1 34a_100000700016_100000748629 [0,1,0,1,0,0|2,0,0]=4 18003 B10R1.211 C=C(C)COC(C)C1CC1 34a_100000744524_100000748629 [0,1,0,1,0,0|2,0,0]=4 18004 B10R1.211 C=C(C)COC(C)C1CC1 7a_100000744524_100000748629 [0,1,0,1,0,0|2,0,0]=4 18005 B10R1.211 CC(=O)CCN(C)C1CC1 269982a_100000226674_100000053229 [0,1,0,1,0,0|1,0,0]=3 18006 B10R1.211 CC(=O)COC(=O)C1CC1 1458a_100000070787_100000140896 [0,1,0,1,0,0|1,0,1]=4 18007 B10R1.211 CC(=O)COC(C)C1CC1 1458a_200000137917_200000210301 [0,1,0,1,0,0|1,0,0]=3 18008 B10R1.211 CC(=O)NCC(O)C1CC1 11a_100000751198_100015343762 [0,1,0,1,0,0|1,0,0]=3 18009 B10R1.211 CC(=O)NCC(O)C1CC1 240690a_100000751198_100015343762 [0,1,0,1,0,0|1,0,0]=3 18010 B10R1.211 CC(=O)NCC(O)C1CC1 527a_100000751198_100103153847 [0,1,0,1,0,0|1,0,0]=3 18011 B10R1.211 CC(=O)OCN(C)C1CC1 269982a_100000226674_100000076356 [0,1,0,1,0,0|2,0,0]=4 18012 B10R1.211 CC(NCC(=O)N)C1CC1 2230a_100000700016_100000747473 [0,1,0,1,0,0|2,0,0]=4 18013 B10R1.211 CC(NCC(=O)N)C1CC1 34a_100000700016_100000187820 [0,1,0,1,0,0|2,0,0]=4 18014 B10R1.211 CC(NCC(=O)[O-])C1CC1 34a_100000700016_100020667443 [0,1,0,1,0,0|2,0,0]=4 18015 B10R1.211 CC(OCC(=O)N)C1CC1 34a_100000744524_100000187820 [0,1,0,1,0,0|2,0,0]=4 18016 B10R1.211 CC(OCC(=O)N)C1CC1 7a_100000744524_100000187820 [0,1,0,1,0,0|2,0,0]=4 18017 B10R1.211 CC(OCC(=O)[13CH3])C1CC1 1458a_200000137917_200025704644 [0,1,0,1,0,0|1,0,0]=3 18018 B10R1.211 CC(OCC(=O)[O-])C1CC1 34a_100000744524_100020667443 [0,1,0,1,0,0|2,0,0]=4 18019 B10R1.211 CN(CCC(=O)N)C1CC1 2230a_100000226674_100000744528 [0,1,0,1,0,0|2,0,0]=4 18020 B10R1.211 CN(CCC(=O)N)C1CC1 269982a_100000226674_100000744528 [0,1,0,1,0,0|2,0,0]=4 18021 B10R1.353 C=C(C)CNC1(CCC1)C 2230a_100000692455_100000748629 [0,1,0,1,0,0|2,0,0]=4 18022 B10R1.353 C=C(C)CNC1(CCC1)C 34a_100000692455_100000748629 [0,1,0,1,0,0|2,0,0]=4 18023 B10R1.353 C=C(C)COC1(CCC1)C 34a_100000759064_100000748629 [0,1,0,1,0,0|2,0,0]=4 18024 B10R1.353 C=C(C)COC1(CCC1)C 7a_100000759064_100000748629 [0,1,0,1,0,0|2,0,0]=4 18025 B10R1.353 CC(=O)NCC1(CCC1)C 11a_100000706607_100015343762 [0,1,0,1,0,0|1,0,0]=3 18026 B10R1.353 CC(=O)NCC1(CCC1)C 1626a_100000706607_100015343762 [0,1,0,1,0,0|1,0,0]=3 18027 B10R1.353 CC(=O)NCC1(CCC1)C 240690a_100000706607_100015343762 [0,1,0,1,0,0|1,0,0]=3 18028 B10R1.353 CC(=O)NCC1(CCC1)C 527a_100000706607_100103153847 [0,1,0,1,0,0|1,0,0]=3 18029 B10R1.353 CC(=O)NCC1(CCC1)O 11a_100000752638_100015343762 [0,1,0,1,0,0|1,0,0]=3 18030 B10R1.353 CC(=O)NCC1(CCC1)O 1626a_100000752638_100015343762 [0,1,0,1,0,0|1,0,0]=3 18031 B10R1.353 CC(=O)NCC1(CCC1)O 240690a_100000752638_100015343762 [0,1,0,1,0,0|1,0,0]=3 18032 B10R1.353 CC(=O)NCC1(CCC1)O 527a_100000752638_100103153847 [0,1,0,1,0,0|1,0,0]=3 18033 B10R1.353 CC(=O)NCC1(COC1)C 1626a_100020631278_100015343762 [0,1,0,1,0,0|2,0,0]=4 18034 B10R1.353 CC(=O)NCC1(COC1)C 527a_100020631278_100103153847 [0,1,0,1,0,0|2,0,0]=4 18035 B10R1.353 CC(=O)NCC1(COC1)O 11a_100010264505_100015343762 [0,1,0,1,0,0|2,0,0]=4 18036 B10R1.353 CC(=O)NCC1(COC1)O 240690a_100010264505_100015343762 [0,1,0,1,0,0|2,0,0]=4 18037 B10R1.353 CC(=O)NCC1(COC1)O 527a_100010264505_100103153847 [0,1,0,1,0,0|2,0,0]=4 18038 B10R1.353 CC1(CCC1)NCC(=O)N 2230a_100000692455_100000747473 [0,1,0,1,0,0|2,0,0]=4 18039 B10R1.353 CC1(CCC1)NCC(=O)N 34a_100000692455_100000187820 [0,1,0,1,0,0|2,0,0]=4 18040 B10R1.353 CC1(CCC1)NCC(=O)[O-] 34a_100000692455_100020667443 [0,1,0,1,0,0|2,0,0]=4 18041 B10R1.353 CC1(CCC1)OCC(=O)N 34a_100000759064_100000187820 [0,1,0,1,0,0|2,0,0]=4 18042 B10R1.353 CC1(CCC1)OCC(=O)N 7a_100000759064_100000187820 [0,1,0,1,0,0|2,0,0]=4 18043 B10R1.353 CC1(CCC1)OCC(=O)[O-] 34a_100000759064_100020667443 [0,1,0,1,0,0|2,0,0]=4 18044 B10R1.128 CC(=O)N1CCCC1(C)C 11a_100000761399_100015343762 [0,1,0,1,0,0|1,0,0]=3 18045 B10R1.128 CC(=O)N1CCCC1(C)C 1626a_100000761399_100015343762 [0,1,0,1,0,0|1,0,0]=3 18046 B10R1.128 CC(=O)N1CCCC1(C)C 240690a_100000761399_100015343762 [0,1,0,1,0,0|1,0,0]=3 18047 B10R1.128 CC(=O)N1CCCC1(C)C 527a_100000761399_100103153847 [0,1,0,1,0,0|1,0,0]=3 18048 B10R1.128 CC(=O)N1CCSC1(C)C 11a_100011217261_100015343762 [0,1,0,1,0,0|2,0,0]=4 18049 B10R1.128 CC(=O)N1CCSC1(C)C 1626a_100011217261_100015343762 [0,1,0,1,0,0|2,0,0]=4 18050 B10R1.128 CC(=O)N1CCSC1(C)C 240690a_100011217261_100015343762 [0,1,0,1,0,0|2,0,0]=4 18051 B10R1.128 CC(=O)N1CCSC1(C)C 527a_100011217261_100103153847 [0,1,0,1,0,0|2,0,0]=4 18052 B10R1.128 CC(=O)N1COCC1(C)C 1626a_100000043020_100015343762 [0,1,0,1,0,0|2,0,0]=4 18053 B10R1.128 CC(=O)N1COCC1(C)C 240690a_100000043020_100015343762 [0,1,0,1,0,0|2,0,0]=4 18054 B10R1.128 CC(=O)[C@@H]1CCC[N+]1(C)C 1458a_100016991750_200000210301 [0,1,0,1,0,0|1,0,0]=3 18055 B10R1.128 C[N+]1(CCC[C@H]1C(=O)[13CH3])C 1458a_100016991750_200025704644 [0,1,0,1,0,0|1,0,0]=3 18056 B10R1.361 CC(=O)N1CC[C@H]1C(=O)[13CH3] 1458a_200015362969_200025704644 [0,1,0,1,0,0|1,0,1]=4 18057 B10R1.361 CC(=O)[C@@H]1CCN1C(=O)C 1458a_200015362969_200000210301 [0,1,0,1,0,0|1,0,1]=4 18058 B10R1.361 CC(C)N1CCC1C(=O)O 269956a_100000021838_100000210206 [0,1,0,1,0,0|2,0,0]=4 18059 B10R2.62 CN1CC2CCC1CC2 2230a_100000750499_200000210301 [0,0,0,2,0,0|2,0,0]=4 18060 B10R2.62 CN1CC2CCC1CC2 269982a_100000750499_200000210301 [0,0,0,2,0,0|2,0,0]=4 18061 B10R2.62 CN1CC2CCC1CC2 34a_100000750499_200000210301 [0,0,0,2,0,0|2,0,0]=4 18062 B10R2.62 [13CH3]N1CC2CCC1CC2 2230a_100000750499_200025704644 [0,0,0,2,0,0|2,0,0]=4 18063 B10R2.62 [13CH3]N1CC2CCC1CC2 269982a_100000750499_200025704644 [0,0,0,2,0,0|2,0,0]=4 18064 B10R2.62 [13CH3]N1CC2CCC1CC2 34a_100000750499_200025704644 [0,0,0,2,0,0|2,0,0]=4 18065 B10R2.351 CC(=O)C1C2C1COC2 1458a_100000138910_200000210301 [0,0,0,2,0,0|1,0,0]=3 18066 B10R2.351 [13CH3]C(=O)C1C2C1COC2 1458a_100000138910_200025704644 [0,0,0,2,0,0|1,0,0]=3 18067 B10R2.355 CN(C)C1CCC2C1C2 270004a_100102631434_100000692480 [0,0,0,2,0,0|2,0,0]=4 18068 B10R2.357 CC(=O)N1CC2CC2C1 11a_100000741873_100015343762 [0,0,0,2,0,0|1,0,0]=3 18069 B10R2.357 CC(=O)N1CC2CC2C1 1626a_100000741873_100015343762 [0,0,0,2,0,0|1,0,0]=3 18070 B10R2.357 CC(=O)N1CC2CC2C1 240690a_100000741873_100015343762 [0,0,0,2,0,0|1,0,0]=3 18071 B10R2.357 CC(=O)N1CC2CC2C1 527a_100000741873_100103153847 [0,0,0,2,0,0|1,0,0]=3 18072 B10R2.357 CN(C)C1CC2CC2C1 270004a_100102631434_100010340937 [0,0,0,2,0,0|2,0,0]=4 18073 B10R2.2 CN1C[C@H]2CCC[C@H]2C1 2230a_100102946302_200000210301 [0,0,0,2,0,0|2,0,0]=4 18074 B10R2.2 CN1C[C@H]2CCC[C@H]2C1 269982a_100102946302_200000210301 [0,0,0,2,0,0|2,0,0]=4 18075 B10R2.2 CN1C[C@H]2CCC[C@H]2C1 34a_100102946302_200000210301 [0,0,0,2,0,0|2,0,0]=4 18076 B10R2.2 [13CH3]N1C[C@H]2CCC[C@H]2C1 2230a_100102946302_200025704644 [0,0,0,2,0,0|2,0,0]=4 18077 B10R2.2 [13CH3]N1C[C@H]2CCC[C@H]2C1 269982a_100102946302_200025704644 [0,0,0,2,0,0|2,0,0]=4 18078 B10R2.2 [13CH3]N1C[C@H]2CCC[C@H]2C1 34a_100102946302_200025704644 [0,0,0,2,0,0|2,0,0]=4 18079 B10R2.14 CN1CCC(C1)C2CC2 2230a_100000695110_200000210301 [0,0,0,2,0,0|2,0,0]=4 18080 B10R2.14 CN1CCC(C1)C2CC2 269982a_100000695110_200000210301 [0,0,0,2,0,0|2,0,0]=4 18081 B10R2.14 CN1CCC(C1)C2CC2 34a_100000695110_200000210301 [0,0,0,2,0,0|2,0,0]=4 18082 B10R2.14 [13CH3]N1CCC(C1)C2CC2 2230a_100000695110_200025704644 [0,0,0,2,0,0|2,0,0]=4 18083 B10R2.14 [13CH3]N1CCC(C1)C2CC2 269982a_100000695110_200025704644 [0,0,0,2,0,0|2,0,0]=4 18084 B10R2.14 [13CH3]N1CCC(C1)C2CC2 34a_100000695110_200025704644 [0,0,0,2,0,0|2,0,0]=4 18085 B10R2.332 CN1CCC2(C1)CCC2 2230a_100000686913_200000210301 [0,0,0,2,0,0|2,0,0]=4 18086 B10R2.332 CN1CCC2(C1)CCC2 269982a_100000686913_200000210301 [0,0,0,2,0,0|2,0,0]=4 18087 B10R2.332 CN1CCC2(C1)CCC2 34a_100000686913_200000210301 [0,0,0,2,0,0|2,0,0]=4 18088 B10R2.332 [13CH3]N1CCC2(C1)CCC2 2230a_100000686913_200025704644 [0,0,0,2,0,0|2,0,0]=4 18089 B10R2.332 [13CH3]N1CCC2(C1)CCC2 269982a_100000686913_200025704644 [0,0,0,2,0,0|2,0,0]=4 18090 B10R2.332 [13CH3]N1CCC2(C1)CCC2 34a_100000686913_200025704644 [0,0,0,2,0,0|2,0,0]=4 18091 B10R2.267 O=C1CC(C1)SC2CC2 62a_100009894365_100000211595 [0,0,0,2,0,0|1,0,0]=3 18092 B10R2.337 O=C1CC(C1)N2CCC2 269982a_100000754969_100009894365 [0,0,0,2,0,0|1,0,0]=3 18093 B10R2.638 CC(=O)C1CC12CCC2 1458a_100000687150_200000210301 [0,0,0,2,0,0|0,0,0]=2 18094 B10R2.638 [13CH3]C(=O)C1CC12CCC2 1458a_100000687150_200025704644 [0,0,0,2,0,0|0,0,0]=2