0 B8R0.6 C#CC(=O)C/C=C\CC 1458a_100000211873_100103147603 [0,0,0,0,0,0|1,0,3]=4 1 B8R0.6 C#CC(=O)CCCCC 1458a_100000211873_100000210326 [0,0,0,0,0,0|1,0,3]=4 2 B8R0.6 C#CCNCC(=O)OC 34a_100000212058_100000747449 [0,0,0,0,0,0|1,0,3]=4 3 B8R0.6 C#CCOCC(=O)OC 34a_100000210247_100000747449 [0,0,0,0,0,0|1,0,3]=4 4 B8R0.6 C#CCSCC(=O)OC 62a_100000038162_100000747449 [0,0,0,0,0,0|1,0,3]=4 5 B8R0.6 C/C=C(\C)/C=NNCC 4a_100000756455_100020587592 [0,0,0,0,0,0|4,0,0]=4 6 B8R0.6 C/C=C/C=CC(=O)CC 1458a_100000185730_100000210202 [0,0,0,0,0,0|1,0,2]=3 7 B8R0.6 C/C=C/C=CC(=O)CF 1458a_100000185730_100015361967 [0,0,0,0,0,0|2,0,2]=4 8 B8R0.6 C/C=C/C=CC(=O)NC 11a_106832991635_100000185730 [0,0,0,0,0,0|1,0,2]=3 9 B8R0.6 C/C=C/C=CC(=O)NC 1626a_100102657272_100000185730 [0,0,0,0,0,0|1,0,2]=3 10 B8R0.6 C/C=C/C=CC(=O)NC 240690a_100102657272_100000185730 [0,0,0,0,0,0|1,0,2]=3 11 B8R0.6 C=CC(=O)C/C=C\CC 1458a_100000185746_100103147603 [0,0,0,0,0,0|1,0,3]=4 12 B8R0.6 C=CC(=O)CCCCC 1458a_100000185746_100000210326 [0,0,0,0,0,0|1,0,3]=4 13 B8R0.6 C=CC(=O)NCCCC 1626a_100000102301_100000185746 [0,0,0,0,0,0|2,0,2]=4 14 B8R0.6 C=CC(=O)NCCCC 240690a_100000102301_200121576911 [0,0,0,0,0,0|2,0,2]=4 15 B8R0.6 C=CC(=O)NNCCC 22a_100000740057_100000185746 [0,0,0,0,0,0|3,0,1]=4 16 B8R0.6 C=CCNCC(=O)OC 2230a_100020586998_100000747449 [0,0,0,0,0,0|1,0,3]=4 17 B8R0.6 C=CCOCC(=O)OC 34a_200000210373_100000747449 [0,0,0,0,0,0|1,0,3]=4 18 B8R0.6 C=CCSCC(=O)OC 62a_100000210623_100000747449 [0,0,0,0,0,0|1,0,3]=4 19 B8R0.6 C=CCSCC(=O)OC 62a_100000747449_100000210623 [0,0,0,0,0,0|1,0,3]=4 20 B8R0.6 CC/C=C/CC(=O)CC 1458a_100016274230_100000210202 [0,0,0,0,0,0|1,0,2]=3 21 B8R0.6 CC/C=C/CC(=O)CF 1458a_100016274230_100015361967 [0,0,0,0,0,0|2,0,2]=4 22 B8R0.6 CC/C=C/CC(=O)NC 11a_106832991635_100016274230 [0,0,0,0,0,0|1,0,2]=3 23 B8R0.6 CC/C=C/CC(=O)NC 1626a_100102657272_100016274230 [0,0,0,0,0,0|1,0,2]=3 24 B8R0.6 CC/C=C/CC(=O)NC 240690a_100102657272_100016274230 [0,0,0,0,0,0|1,0,2]=3 25 B8R0.6 CC/C=C/CC(=O)NC 527a_100102657272_100016274230 [0,0,0,0,0,0|1,0,2]=3 26 B8R0.6 CC/C=C\CC(=O)CC 1458a_100000210414_100103147603 [0,0,0,0,0,0|1,0,2]=3 27 B8R0.6 CC/C=C\CC(=O)CO 1458a_100000210174_100103147603 [0,0,0,0,0,0|2,0,2]=4 28 B8R0.6 CCC#CCC(=O)CC 1458a_100000210414_100009813939 [0,0,0,0,0,0|1,0,3]=4 29 B8R0.6 CCC(=O)C=CCOC 1458a_100016285016_100000210202 [0,0,0,0,0,0|2,0,0]=2 30 B8R0.6 CCC(=O)CCCCF 1458a_100000210414_100000729493 [0,0,0,0,0,0|2,0,2]=4 31 B8R0.6 CCC(=O)CCCCO 1458a_100000210414_100000210776 [0,0,0,0,0,0|2,0,2]=4 32 B8R0.6 CCC(=O)CCCCO 1458a_100000695505_100000210202 [0,0,0,0,0,0|2,0,2]=4 33 B8R0.6 CCC(=O)CCCOC 1458a_100000210414_100000740836 [0,0,0,0,0,0|2,0,2]=4 34 B8R0.6 CCC(=O)CCCOC 1458a_100000741012_100000210202 [0,0,0,0,0,0|2,0,2]=4 35 B8R0.6 CCC(=O)CCCSC 1458a_100000173376_100000210202 [0,0,0,0,0,0|2,0,2]=4 36 B8R0.6 CCC(=O)COCCF 34a_100000725409_100011217306 [0,0,0,0,0,0|3,0,1]=4 37 B8R0.6 CCC(=O)COCCO 1458a_100000708028_100000210202 [0,0,0,0,0,0|3,0,1]=4 38 B8R0.6 CCC(=O)COCCO 34a_100000725409_100000211926 [0,0,0,0,0,0|3,0,1]=4 39 B8R0.6 CCC(=O)COCSC 34a_100000725409_100011218213 [0,0,0,0,0,0|3,0,1]=4 40 B8R0.6 CCC(=O)CSCCF 62a_100000747405_100011217306 [0,0,0,0,0,0|3,0,1]=4 41 B8R0.6 CCC(=O)CSCCF 62a_100011217306_100000747405 [0,0,0,0,0,0|3,0,1]=4 42 B8R0.6 CCC(=O)CSCCO 62a_100000211926_100000747405 [0,0,0,0,0,0|3,0,1]=4 43 B8R0.6 CCC(=O)CSCCO 62a_100000747405_100000211926 [0,0,0,0,0,0|3,0,1]=4 44 B8R0.6 CCC(=O)CSCOC 62a_100000747405_100000766300 [0,0,0,0,0,0|3,0,1]=4 45 B8R0.6 CCC(=O)CSCOC 62a_100000766300_100000747405 [0,0,0,0,0,0|3,0,1]=4 46 B8R0.6 CCC(=O)CSCSC 62a_100000747405_100011218213 [0,0,0,0,0,0|3,0,1]=4 47 B8R0.6 CCC(=O)CSCSC 62a_100011218213_100000747405 [0,0,0,0,0,0|3,0,1]=4 48 B8R0.6 CCC(=O)NCCCF 11a_100015189416_100000210414 [0,0,0,0,0,0|3,0,1]=4 49 B8R0.6 CCC(=O)NCCCF 1626a_100015189416_100000210414 [0,0,0,0,0,0|3,0,1]=4 50 B8R0.6 CCC(=O)NCCCF 240690a_100015189416_100000210414 [0,0,0,0,0,0|3,0,1]=4 51 B8R0.6 CCC(=O)NCCCF 527a_100015189416_100000210414 [0,0,0,0,0,0|3,0,1]=4 52 B8R0.6 CCC(=O)NCCCO 240690a_100000182051_100000210414 [0,0,0,0,0,0|3,0,1]=4 53 B8R0.6 CCC(=O)NCCCO 527a_100000182051_100000210414 [0,0,0,0,0,0|3,0,1]=4 54 B8R0.6 CCC(=O)NCCNC 34a_100132302217_200000210301 [0,0,0,0,0,0|3,0,1]=4 55 B8R0.6 CCC(=O)NCCN[13CH3] 34a_100132302217_200025704644 [0,0,0,0,0,0|3,0,1]=4 56 B8R0.6 CCC(=O)NCCOC 1626a_100000209980_100000210414 [0,0,0,0,0,0|3,0,1]=4 57 B8R0.6 CCC(=O)NCCOC 240690a_100000209980_100000210414 [0,0,0,0,0,0|3,0,1]=4 58 B8R0.6 CCC(=O)NCCOC 34a_200000158885_200000210301 [0,0,0,0,0,0|3,0,1]=4 59 B8R0.6 CCC(=O)NCCOC 527a_100000209980_100000210414 [0,0,0,0,0,0|3,0,1]=4 60 B8R0.6 CCC(=O)NCCOC 7a_200000158885_200000210301 [0,0,0,0,0,0|3,0,1]=4 61 B8R0.6 CCC(=O)NCCO[13CH3] 34a_200000158885_200025704644 [0,0,0,0,0,0|3,0,1]=4 62 B8R0.6 CCC(=O)NCCO[13CH3] 7a_200000158885_200025704644 [0,0,0,0,0,0|3,0,1]=4 63 B8R0.6 CCC(=O)NCCSC 11a_100020590264_100000210414 [0,0,0,0,0,0|3,0,1]=4 64 B8R0.6 CCC(=O)NCCSC 1626a_100020590264_100000210414 [0,0,0,0,0,0|3,0,1]=4 65 B8R0.6 CCC(=O)NCCSC 240690a_100020590264_100000210414 [0,0,0,0,0,0|3,0,1]=4 66 B8R0.6 CCC(=O)NCCSC 527a_100020590264_100000210414 [0,0,0,0,0,0|3,0,1]=4 67 B8R0.6 CCC(=O)NNCCO 22a_100000210001_100000210414 [0,0,0,0,0,0|4,0,0]=4 68 B8R0.6 CCC(=O)OCCOC 7a_200000031056_200000210301 [0,0,0,0,0,0|3,0,1]=4 69 B8R0.6 CCC(=O)OCCO[13CH3] 7a_200000031056_200025704644 [0,0,0,0,0,0|3,0,1]=4 70 B8R0.6 CCC=NNC(=O)CC 4a_100000183195_100000210100 [0,0,0,0,0,0|3,0,1]=4 71 B8R0.6 CCCC#CC(=O)CC 1458a_200011218047_100000210202 [0,0,0,0,0,0|1,0,2]=3 72 B8R0.6 CCCC#CC(=O)CF 1458a_200011218047_100015361967 [0,0,0,0,0,0|2,0,2]=4 73 B8R0.6 CCCC#CC(=O)NC 240690a_100102657272_200011218047 [0,0,0,0,0,0|1,0,2]=3 74 B8R0.6 CCCC=CC(=O)CC 1458a_100000212230_100000210202 [0,0,0,0,0,0|1,0,0]=1 75 B8R0.6 CCCC=CC(=O)CF 1458a_100000212230_100015361967 [0,0,0,0,0,0|2,0,0]=2 76 B8R0.6 CCCC=CC(=O)NC 11a_106832991635_100000212230 [0,0,0,0,0,0|1,0,0]=1 77 B8R0.6 CCCC=CC(=O)NC 1626a_100102657272_100000212230 [0,0,0,0,0,0|1,0,0]=1 78 B8R0.6 CCCC=CC(=O)NC 240690a_100102657272_100000212230 [0,0,0,0,0,0|1,0,0]=1 79 B8R0.6 CCCCCC(=O)CC 1458a_100000210414_100000210326 [0,0,0,0,0,0|1,0,2]=3 80 B8R0.6 CCCCCC(=O)CC 1458a_100000212188_100000210202 [0,0,0,0,0,0|1,0,2]=3 81 B8R0.6 CCCCCC(=O)CF 1458a_100000212188_100015361967 [0,0,0,0,0,0|2,0,2]=4 82 B8R0.6 CCCCCC(=O)CO 1458a_100000210174_100000210326 [0,0,0,0,0,0|2,0,2]=4 83 B8R0.6 CCCCCC(=O)NC 11a_106832991635_100000212188 [0,0,0,0,0,0|1,0,2]=3 84 B8R0.6 CCCCCC(=O)NC 1626a_100102657272_100000212188 [0,0,0,0,0,0|1,0,2]=3 85 B8R0.6 CCCCCC(=O)NC 240690a_100102657272_100000212188 [0,0,0,0,0,0|1,0,2]=3 86 B8R0.6 CCCCCC(=O)NC 527a_100102657272_100000212188 [0,0,0,0,0,0|1,0,2]=3 87 B8R0.6 CCCCCC(C)OC 34a_100011215632_200000210301 [0,0,0,0,0,0|1,0,3]=4 88 B8R0.6 CCCCCC(C)OC 34a_100138415774_200011218191 [0,0,0,0,0,0|1,0,3]=4 89 B8R0.6 CCCCCC(C)OC 7a_100011215632_200000210301 [0,0,0,0,0,0|1,0,3]=4 90 B8R0.6 CCCCCC(C)O[13CH3] 34a_100011215632_200025704644 [0,0,0,0,0,0|1,0,3]=4 91 B8R0.6 CCCCCC(C)O[13CH3] 7a_100011215632_200025704644 [0,0,0,0,0,0|1,0,3]=4 92 B8R0.6 CCCCNC(=O)CC 11a_100000102301_100000210414 [0,0,0,0,0,0|2,0,1]=3 93 B8R0.6 CCCCNC(=O)CC 1626a_100000102301_100000210414 [0,0,0,0,0,0|2,0,1]=3 94 B8R0.6 CCCCNC(=O)CC 240690a_100000102301_100000210414 [0,0,0,0,0,0|2,0,1]=3 95 B8R0.6 CCCCNC(=O)CC 527a_100000102301_100000210414 [0,0,0,0,0,0|2,0,1]=3 96 B8R0.6 CCCCNC(=O)CO 240690a_100000102301_100000210174 [0,0,0,0,0,0|3,0,1]=4 97 B8R0.6 CCCCNC(=O)CO 527a_100000102301_100000210174 [0,0,0,0,0,0|3,0,1]=4 98 B8R0.6 CCCCNC(=O)NC 2708a_100000102301_106832991635 [0,0,0,0,0,0|2,0,1]=3 99 B8R0.6 CCCCNC(=O)NC 2708a_100102657272_100000102301 [0,0,0,0,0,0|2,0,1]=3 100 B8R0.6 CCCCNC(=O)NC 273464a_100000102301_100102657272 [0,0,0,0,0,0|2,0,1]=3 101 B8R0.6 CCCCNC(=O)NC 273464a_100102657272_100000102301 [0,0,0,0,0,0|2,0,1]=3 102 B8R0.6 CCCCNC(=O)NC 512a_100000102301_100102657272 [0,0,0,0,0,0|2,0,1]=3 103 B8R0.6 CCCCNC(=O)NC 512a_106832991638_100000102301 [0,0,0,0,0,0|2,0,1]=3 104 B8R0.6 CCCCSC(C)OC 62a_100000210211_100009879195 [0,0,0,0,0,0|2,0,2]=4 105 B8R0.6 CCCCSC(C)OC 62a_100009879195_100000210210 [0,0,0,0,0,0|2,0,2]=4 106 B8R0.6 CCCNCC(=O)NC 2230a_100000693194_100000210303 [0,0,0,0,0,0|2,0,1]=3 107 B8R0.6 CCCNC[C@@H](C)OC 2230a_100020591295_100000210303 [0,0,0,0,0,0|2,0,2]=4 108 B8R0.6 CCCNNC(=O)CC 22a_100000740057_100000210414 [0,0,0,0,0,0|3,0,0]=3 109 B8R0.6 CCCNNC(=O)CO 22a_100000740057_100000210174 [0,0,0,0,0,0|4,0,0]=4 110 B8R0.6 CCCNNC(=O)NC 273464a_100102657272_100000740057 [0,0,0,0,0,0|3,0,0]=3 111 B8R0.6 CCCNNC(=O)NC 512a_100000740057_100102657272 [0,0,0,0,0,0|3,0,0]=3 112 B8R0.6 CCCNNC(=O)NC 512a_106832991638_100000740057 [0,0,0,0,0,0|3,0,0]=3 113 B8R0.6 CCCOCC(=O)CC 1458a_100000745993_100000210202 [0,0,0,0,0,0|2,0,1]=3 114 B8R0.6 CCCOCC(=O)CC 34a_100000725409_100000210303 [0,0,0,0,0,0|2,0,1]=3 115 B8R0.6 CCCOCC(=O)CF 1458a_100000745993_100015361967 [0,0,0,0,0,0|3,0,1]=4 116 B8R0.6 CCCOCC(=O)NC 11a_106832991635_100000745993 [0,0,0,0,0,0|2,0,1]=3 117 B8R0.6 CCCOCC(=O)NC 1626a_100102657272_100000745993 [0,0,0,0,0,0|2,0,1]=3 118 B8R0.6 CCCOCC(=O)NC 240690a_100102657272_100000745993 [0,0,0,0,0,0|2,0,1]=3 119 B8R0.6 CCCOCC(=O)NC 34a_100000210258_100000183359 [0,0,0,0,0,0|2,0,1]=3 120 B8R0.6 CCCOCC(=O)NC 34a_100000750040_100000210303 [0,0,0,0,0,0|2,0,1]=3 121 B8R0.6 CCCOCC(=O)NC 527a_100102657272_100000745993 [0,0,0,0,0,0|2,0,1]=3 122 B8R0.6 CCCOCC(=O)OC 34a_100000210258_100000747449 [0,0,0,0,0,0|1,0,1]=2 123 B8R0.6 CCCOCC(C)OC 34a_100000690652_100000210303 [0,0,0,0,0,0|2,0,2]=4 124 B8R0.6 CCCSCC(=O)CC 1458a_100000217233_100000210202 [0,0,0,0,0,0|2,0,1]=3 125 B8R0.6 CCCSCC(=O)CC 62a_100000210303_100000747405 [0,0,0,0,0,0|2,0,1]=3 126 B8R0.6 CCCSCC(=O)CC 62a_100000747405_100000210303 [0,0,0,0,0,0|2,0,1]=3 127 B8R0.6 CCCSCC(=O)CF 1458a_100000217233_100015361967 [0,0,0,0,0,0|3,0,1]=4 128 B8R0.6 CCCSCC(=O)NC 11a_106832991635_100000217233 [0,0,0,0,0,0|2,0,1]=3 129 B8R0.6 CCCSCC(=O)NC 1626a_100102657272_100000217233 [0,0,0,0,0,0|2,0,1]=3 130 B8R0.6 CCCSCC(=O)NC 240690a_100102657272_100000217233 [0,0,0,0,0,0|2,0,1]=3 131 B8R0.6 CCCSCC(=O)NC 527a_100102657272_100000217233 [0,0,0,0,0,0|2,0,1]=3 132 B8R0.6 CCCSCC(=O)NC 62a_100000183359_100000210303 [0,0,0,0,0,0|2,0,1]=3 133 B8R0.6 CCCSCC(=O)NC 62a_100000210303_100000183359 [0,0,0,0,0,0|2,0,1]=3 134 B8R0.6 CCCSCC(=O)OC 62a_100000210303_100000747449 [0,0,0,0,0,0|1,0,1]=2 135 B8R0.6 CCCSCC(=O)OC 62a_100000747449_100000210303 [0,0,0,0,0,0|1,0,1]=2 136 B8R0.6 CCNCCC(=O)NC 2230a_100000738227_100000210202 [0,0,0,0,0,0|2,0,2]=4 137 B8R0.6 CCNCCC(=O)NC 2230a_100015525214_100000737683 [0,0,0,0,0,0|2,0,2]=4 138 B8R0.6 CCNCCC(=O)NC 34a_100000738227_100000210202 [0,0,0,0,0,0|2,0,2]=4 139 B8R0.6 CCNCCC(=O)OC 2230a_100015525214_100000204255 [0,0,0,0,0,0|1,0,2]=3 140 B8R0.6 CCNN=CC(=O)OC 4a_100000756455_200011823558 [0,0,0,0,0,0|2,0,0]=2 141 B8R0.6 CCOC=CC(=O)CC 1458a_100016266692_100000210202 [0,0,0,0,0,0|2,0,0]=2 142 B8R0.6 CCOC=CC(=O)CF 1458a_100016266692_100015361967 [0,0,0,0,0,0|3,0,0]=3 143 B8R0.6 CCOC=CC(=O)NC 11a_106832991635_100016266692 [0,0,0,0,0,0|2,0,0]=2 144 B8R0.6 CCOC=CC(=O)NC 1626a_100102657272_100016266692 [0,0,0,0,0,0|2,0,0]=2 145 B8R0.6 CCOC=CC(=O)NC 240690a_100102657272_100016266692 [0,0,0,0,0,0|2,0,0]=2 146 B8R0.6 CCOCCC(=O)CC 1458a_100000210414_100011215890 [0,0,0,0,0,0|2,0,2]=4 147 B8R0.6 CCOCCC(=O)CC 1458a_100000749530_100000210202 [0,0,0,0,0,0|2,0,2]=4 148 B8R0.6 CCOCCC(=O)NC 11a_106832991635_100000749530 [0,0,0,0,0,0|2,0,2]=4 149 B8R0.6 CCOCCC(=O)NC 1626a_100102657272_100000749530 [0,0,0,0,0,0|2,0,2]=4 150 B8R0.6 CCOCCC(=O)NC 240690a_100102657272_100000749530 [0,0,0,0,0,0|2,0,2]=4 151 B8R0.6 CCOCCC(=O)NC 34a_100000754576_100000210202 [0,0,0,0,0,0|2,0,2]=4 152 B8R0.6 CCOCCC(=O)NC 34a_100121572206_100012179268 [0,0,0,0,0,0|2,0,2]=4 153 B8R0.6 CCOCCC(=O)NC 527a_100102657272_100000749530 [0,0,0,0,0,0|2,0,2]=4 154 B8R0.6 CCOCCC(=O)OC 34a_100121572206_100000742370 [0,0,0,0,0,0|1,0,2]=3 155 B8R0.6 CCSCCC(=O)CC 1458a_100000210414_100000757381 [0,0,0,0,0,0|2,0,2]=4 156 B8R0.6 CCSCCC(=O)CC 1458a_100000230768_100000210202 [0,0,0,0,0,0|2,0,2]=4 157 B8R0.6 CCSCCC(=O)NC 11a_106832991635_100000230768 [0,0,0,0,0,0|2,0,2]=4 158 B8R0.6 CCSCCC(=O)NC 1626a_100102657272_100000230768 [0,0,0,0,0,0|2,0,2]=4 159 B8R0.6 CCSCCC(=O)NC 240690a_100102657272_100000230768 [0,0,0,0,0,0|2,0,2]=4 160 B8R0.6 CCSCCC(=O)NC 527a_100102657272_100000230768 [0,0,0,0,0,0|2,0,2]=4 161 B8R0.6 CCSCCC(=O)NC 62a_100000210202_100000737683 [0,0,0,0,0,0|2,0,2]=4 162 B8R0.6 CCSCCC(=O)NC 62a_100000737683_100000210202 [0,0,0,0,0,0|2,0,2]=4 163 B8R0.6 CCSCCC(=O)OC 62a_100000204255_100000210202 [0,0,0,0,0,0|1,0,2]=3 164 B8R0.6 CCSCCC(=O)OC 62a_100000210202_100000204255 [0,0,0,0,0,0|1,0,2]=3 165 B8R0.6 CCSCOC(=O)OC 62a_100000210202_100000139417 [0,0,0,0,0,0|2,0,1]=3 166 B8R0.6 CNC(=O)C=CCOC 11a_106832991635_100016285016 [0,0,0,0,0,0|2,0,0]=2 167 B8R0.6 CNC(=O)C=CCOC 1626a_100102657272_100016285016 [0,0,0,0,0,0|2,0,0]=2 168 B8R0.6 CNC(=O)C=CCOC 240690a_100102657272_100016285016 [0,0,0,0,0,0|2,0,0]=2 169 B8R0.6 CNC(=O)CCCCO 1626a_100102657272_100000695505 [0,0,0,0,0,0|2,0,2]=4 170 B8R0.6 CNC(=O)CCCN[13CH3] 2230a_100000740002_200025704644 [0,0,0,0,0,0|2,0,2]=4 171 B8R0.6 CNC(=O)CCCN[13CH3] 34a_100000740002_200025704644 [0,0,0,0,0,0|2,0,2]=4 172 B8R0.6 CNC(=O)CCCOC 11a_106832991635_100000741012 [0,0,0,0,0,0|2,0,2]=4 173 B8R0.6 CNC(=O)CCCOC 1626a_100102657272_100000741012 [0,0,0,0,0,0|2,0,2]=4 174 B8R0.6 CNC(=O)CCCOC 240690a_100102657272_100000741012 [0,0,0,0,0,0|2,0,2]=4 175 B8R0.6 CNC(=O)CCCOC 34a_100138415774_100000741757 [0,0,0,0,0,0|2,0,2]=4 176 B8R0.6 CNC(=O)CCCOC 527a_100102657272_100000741012 [0,0,0,0,0,0|2,0,2]=4 177 B8R0.6 CNC(=O)CCCSC 11a_106832991635_100000173376 [0,0,0,0,0,0|2,0,2]=4 178 B8R0.6 CNC(=O)CCCSC 1626a_100102657272_100000173376 [0,0,0,0,0,0|2,0,2]=4 179 B8R0.6 CNC(=O)CCCSC 240690a_100102657272_100000173376 [0,0,0,0,0,0|2,0,2]=4 180 B8R0.6 CNC(=O)CCCSC 527a_100102657272_100000173376 [0,0,0,0,0,0|2,0,2]=4 181 B8R0.6 CNC(=O)CCCSC 62a_100000741757_200000210301 [0,0,0,0,0,0|2,0,2]=4 182 B8R0.6 CNC(=O)CCCSC 62a_200000210301_100000741757 [0,0,0,0,0,0|2,0,2]=4 183 B8R0.6 CNC(=O)CCCS[13CH3] 62a_100000741757_200025704644 [0,0,0,0,0,0|2,0,2]=4 184 B8R0.6 CNC(=O)CCCS[13CH3] 62a_200025704644_100000741757 [0,0,0,0,0,0|2,0,2]=4 185 B8R0.6 CNC(=O)CNCCF 2230a_100000693194_100011217306 [0,0,0,0,0,0|3,0,1]=4 186 B8R0.6 CNC(=O)CNCCF 34a_100000724931_100000183359 [0,0,0,0,0,0|3,0,1]=4 187 B8R0.6 CNC(=O)CNCCO 2230a_100000693194_100000211926 [0,0,0,0,0,0|3,0,1]=4 188 B8R0.6 CNC(=O)CNCCO 2230a_100016997473_100000183359 [0,0,0,0,0,0|3,0,1]=4 189 B8R0.6 CNC(=O)CNCCO 34a_100016990907_100000183359 [0,0,0,0,0,0|3,0,1]=4 190 B8R0.6 CNC(=O)CNCOC 2230a_100000693194_100000766300 [0,0,0,0,0,0|3,0,1]=4 191 B8R0.6 CNC(=O)CNCSC 2230a_100000693194_100011218213 [0,0,0,0,0,0|3,0,1]=4 192 B8R0.6 CNC(=O)COCCBr 34a_100000211926_100000183359 [0,0,0,0,0,0|3,0,1]=4 193 B8R0.6 CNC(=O)COCCF 34a_100000750040_100011217306 [0,0,0,0,0,0|3,0,1]=4 194 B8R0.6 CNC(=O)COCCN 34a_100000210304_100000183359 [0,0,0,0,0,0|3,0,1]=4 195 B8R0.6 CNC(=O)COCCO 1626a_100102657272_100000708028 [0,0,0,0,0,0|3,0,1]=4 196 B8R0.6 CNC(=O)COCCO 240690a_100102657272_100000708028 [0,0,0,0,0,0|3,0,1]=4 197 B8R0.6 CNC(=O)COCCO 34a_100000750040_100000211926 [0,0,0,0,0,0|3,0,1]=4 198 B8R0.6 CNC(=O)COCSC 34a_100000750040_100011218213 [0,0,0,0,0,0|3,0,1]=4 199 B8R0.6 CNC(=O)CSCCF 62a_100000183359_100011217306 [0,0,0,0,0,0|3,0,1]=4 200 B8R0.6 CNC(=O)CSCCF 62a_100011217306_100000183359 [0,0,0,0,0,0|3,0,1]=4 201 B8R0.6 CNC(=O)CSCCO 62a_100000183359_100000211926 [0,0,0,0,0,0|3,0,1]=4 202 B8R0.6 CNC(=O)CSCCO 62a_100000211926_100000183359 [0,0,0,0,0,0|3,0,1]=4 203 B8R0.6 CNC(=O)CSCOC 62a_100000183359_100000766300 [0,0,0,0,0,0|3,0,1]=4 204 B8R0.6 CNC(=O)CSCOC 62a_100000766300_100000183359 [0,0,0,0,0,0|3,0,1]=4 205 B8R0.6 CNC(=O)CSCSC 62a_100000183359_100011218213 [0,0,0,0,0,0|3,0,1]=4 206 B8R0.6 CNC(=O)CSCSC 62a_100011218213_100000183359 [0,0,0,0,0,0|3,0,1]=4 207 B8R0.6 CNC(=O)NCCCF 2708a_100015189416_106832991635 [0,0,0,0,0,0|3,0,1]=4 208 B8R0.6 CNC(=O)NCCCF 2708a_100102657272_100015189416 [0,0,0,0,0,0|3,0,1]=4 209 B8R0.6 CNC(=O)NCCCF 273464a_100015189416_100102657272 [0,0,0,0,0,0|3,0,1]=4 210 B8R0.6 CNC(=O)NCCCF 273464a_100102657272_100015189416 [0,0,0,0,0,0|3,0,1]=4 211 B8R0.6 CNC(=O)NCCCF 512a_100015189416_100102657272 [0,0,0,0,0,0|3,0,1]=4 212 B8R0.6 CNC(=O)NCCCF 512a_106832991638_100015189416 [0,0,0,0,0,0|3,0,1]=4 213 B8R0.6 CNC(=O)NCCCO 2708a_100102657272_100000182051 [0,0,0,0,0,0|3,0,1]=4 214 B8R0.6 CNC(=O)NCCCO 273464a_100000182051_100102657272 [0,0,0,0,0,0|3,0,1]=4 215 B8R0.6 CNC(=O)NCCCO 273464a_100102657272_100000182051 [0,0,0,0,0,0|3,0,1]=4 216 B8R0.6 CNC(=O)NCCCO 512a_106832991638_100000182051 [0,0,0,0,0,0|3,0,1]=4 217 B8R0.6 CNC(=O)NCCN[13CH3] 34a_100015205895_200025704644 [0,0,0,0,0,0|3,0,1]=4 218 B8R0.6 CNC(=O)NCCOC 2708a_100102657272_100000209980 [0,0,0,0,0,0|3,0,1]=4 219 B8R0.6 CNC(=O)NCCOC 273464a_100000209980_100102657272 [0,0,0,0,0,0|3,0,1]=4 220 B8R0.6 CNC(=O)NCCOC 273464a_100102657272_100000209980 [0,0,0,0,0,0|3,0,1]=4 221 B8R0.6 CNC(=O)NCCSC 2708a_100020590264_106832991635 [0,0,0,0,0,0|3,0,1]=4 222 B8R0.6 CNC(=O)NCCSC 2708a_100102657272_100020590264 [0,0,0,0,0,0|3,0,1]=4 223 B8R0.6 CNC(=O)NCCSC 273464a_100020590264_100102657272 [0,0,0,0,0,0|3,0,1]=4 224 B8R0.6 CNC(=O)NCCSC 273464a_100102657272_100020590264 [0,0,0,0,0,0|3,0,1]=4 225 B8R0.6 CNC(=O)NCCSC 512a_100020590264_100102657272 [0,0,0,0,0,0|3,0,1]=4 226 B8R0.6 CNC(=O)NCCSC 512a_106832991638_100020590264 [0,0,0,0,0,0|3,0,1]=4 227 B8R0.6 CNC(=O)NNCCO 273464a_100102657272_100000210001 [0,0,0,0,0,0|4,0,0]=4 228 B8R0.6 CNC(=O)NNCCO 512a_106832991638_100000210001 [0,0,0,0,0,0|4,0,0]=4 229 B8R0.6 CNC(=O)OCCOC 34a_100138415774_200011997002 [0,0,0,0,0,0|3,0,1]=4 230 B8R0.6 CNC(=O)OCCSC 62a_200000210301_200011997002 [0,0,0,0,0,0|3,0,1]=4 231 B8R0.6 CNC(=O)OCCSC 62a_200011997002_200000210301 [0,0,0,0,0,0|3,0,1]=4 232 B8R0.6 CNC(=O)OCCS[13CH3] 62a_200011997002_200025704644 [0,0,0,0,0,0|3,0,1]=4 233 B8R0.6 CNC(=O)OCCS[13CH3] 62a_200025704644_200011997002 [0,0,0,0,0,0|3,0,1]=4 234 B8R0.6 CNC/C=C/C(=O)OC 2230a_106832991635_100000742655 [0,0,0,0,0,0|1,0,0]=1 235 B8R0.6 CNC/C=C/C(=O)OC 34a_100102657272_100000742655 [0,0,0,0,0,0|1,0,0]=1 236 B8R0.6 CNC/C=C/C(=O)OC 7a_106832991635_100000742655 [0,0,0,0,0,0|1,0,0]=1 237 B8R0.6 CNCCCC(=O)NC 2230a_100000740002_200000210301 [0,0,0,0,0,0|2,0,2]=4 238 B8R0.6 CNCCCC(=O)NC 2230a_106832991635_100000741757 [0,0,0,0,0,0|2,0,2]=4 239 B8R0.6 CNCCCC(=O)NC 34a_100000740002_200000210301 [0,0,0,0,0,0|2,0,2]=4 240 B8R0.6 CNCCCC(=O)NC 34a_100102657272_100000741757 [0,0,0,0,0,0|2,0,2]=4 241 B8R0.6 CNCCCC(=O)NC 7a_106832991635_100000741757 [0,0,0,0,0,0|2,0,2]=4 242 B8R0.6 CNCCCC(=O)OC 2230a_106832991635_100011218270 [0,0,0,0,0,0|1,0,2]=3 243 B8R0.6 CNCCCC(=O)OC 34a_100102657272_100000742333 [0,0,0,0,0,0|1,0,2]=3 244 B8R0.6 CNCCCC(=O)OC 7a_106832991635_100011218270 [0,0,0,0,0,0|1,0,2]=3 245 B8R0.6 CNCCNC(=O)NC 34a_100015205895_200000210301 [0,0,0,0,0,0|3,0,1]=4 246 B8R0.6 CNCCOC(=O)NC 34a_100102657272_200011997002 [0,0,0,0,0,0|3,0,1]=4 247 B8R0.6 CNCCOC(=O)NC 7a_106832991635_200011997002 [0,0,0,0,0,0|3,0,1]=4 248 B8R0.6 COC(=O)/C=C/CSC 62a_100000742655_200000210301 [0,0,0,0,0,0|1,0,0]=1 249 B8R0.6 COC(=O)/C=C/CSC 62a_200000210301_100000742655 [0,0,0,0,0,0|1,0,0]=1 250 B8R0.6 COC(=O)/C=C/CS[13CH3] 62a_100000742655_200025704644 [0,0,0,0,0,0|1,0,0]=1 251 B8R0.6 COC(=O)/C=C/CS[13CH3] 62a_200025704644_100000742655 [0,0,0,0,0,0|1,0,0]=1 252 B8R0.6 COC(=O)CCCSC 62a_100011218270_200000210301 [0,0,0,0,0,0|1,0,2]=3 253 B8R0.6 COC(=O)CCCSC 62a_200000210301_100011218270 [0,0,0,0,0,0|1,0,2]=3 254 B8R0.6 COC(=O)CCCS[13CH3] 62a_100011218270_200025704644 [0,0,0,0,0,0|1,0,2]=3 255 B8R0.6 COC(=O)CCCS[13CH3] 62a_200025704644_100011218270 [0,0,0,0,0,0|1,0,2]=3 256 B8R0.6 COC(=O)CCSCF 62a_100000204255_100015361967 [0,0,0,0,0,0|2,0,2]=4 257 B8R0.6 COC(=O)CCSCF 62a_100015361967_100000204255 [0,0,0,0,0,0|2,0,2]=4 258 B8R0.6 COC(=O)CNCCF 34a_100000724931_100000747449 [0,0,0,0,0,0|2,0,1]=3 259 B8R0.6 COC(=O)CNCCO 2230a_100016997473_100000747449 [0,0,0,0,0,0|2,0,1]=3 260 B8R0.6 COC(=O)CNCCO 34a_100016990907_100000747449 [0,0,0,0,0,0|2,0,1]=3 261 B8R0.6 COC(=O)COCCBr 34a_100000211926_100000747449 [0,0,0,0,0,0|2,0,1]=3 262 B8R0.6 COC(=O)COCCN 34a_100000210304_100000747449 [0,0,0,0,0,0|2,0,1]=3 263 B8R0.6 COC(=O)CSCC#N 62a_100000747449_100011215382 [0,0,0,0,0,0|2,0,2]=4 264 B8R0.6 COC(=O)CSCC#N 62a_100011215382_100000747449 [0,0,0,0,0,0|2,0,2]=4 265 B8R0.6 COC(=O)CSCC=O 62a_100000747449_200015260668 [0,0,0,0,0,0|2,0,2]=4 266 B8R0.6 COC(=O)CSCC=O 62a_200015260668_100000747449 [0,0,0,0,0,0|2,0,2]=4 267 B8R0.6 COC(=O)CSCCF 62a_100000747449_100011217306 [0,0,0,0,0,0|2,0,1]=3 268 B8R0.6 COC(=O)CSCCF 62a_100011217306_100000747449 [0,0,0,0,0,0|2,0,1]=3 269 B8R0.6 COC(=O)CSCCO 62a_100000211926_100000747449 [0,0,0,0,0,0|2,0,1]=3 270 B8R0.6 COC(=O)CSCCO 62a_100000747449_100000211926 [0,0,0,0,0,0|2,0,1]=3 271 B8R0.6 COC(=O)CSCSC 62a_100000747449_100011218213 [0,0,0,0,0,0|2,0,1]=3 272 B8R0.6 COC(=O)CSCSC 62a_100011218213_100000747449 [0,0,0,0,0,0|2,0,1]=3 273 B8R0.6 COC(=O)NCCO[13CH3] 34a_100000757965_200025704644 [0,0,0,0,0,0|2,0,1]=3 274 B8R0.6 COC(=O)OCCO[13CH3] 34a_100010262106_200025704644 [0,0,0,0,0,0|2,0,1]=3 275 B8R0.6 COC(=O)OCSCF 62a_100015361967_100000139417 [0,0,0,0,0,0|3,0,1]=4 276 B8R0.6 COC/C=C/C(=O)OC 34a_100138415774_100000742655 [0,0,0,0,0,0|1,0,0]=1 277 B8R0.6 COCC=CC(=O)CF 1458a_100016285016_100015361967 [0,0,0,0,0,0|3,0,0]=3 278 B8R0.6 COCCCC(=O)OC 34a_100138415774_100000742333 [0,0,0,0,0,0|1,0,2]=3 279 B8R0.6 COCCNC(=O)OC 34a_100000757965_200000210301 [0,0,0,0,0,0|2,0,1]=3 280 B8R0.6 COCCOC(=O)OC 34a_100010262106_200000210301 [0,0,0,0,0,0|2,0,1]=3 281 B8R0.6 COCSCC(=O)OC 62a_100000747449_100000766300 [0,0,0,0,0,0|2,0,1]=3 282 B8R0.6 COCSCC(=O)OC 62a_100000766300_100000747449 [0,0,0,0,0,0|2,0,1]=3 283 B7R0.1 C/C=C/C=C/COC 34a_100016283227_200000210301 [1,0,0,0,0,0|2,0,0]=3 284 B7R0.1 C/C=C/C=C/CO[13CH3] 34a_100016283227_200025704644 [1,0,0,0,0,0|2,0,0]=3 285 B7R0.1 C/C=C/COCCC 34a_100000210258_100102629194 [1,0,0,0,0,0|2,0,1]=4 286 B7R0.1 C/C=C/COCCC 34a_100016270725_100000210303 [1,0,0,0,0,0|2,0,1]=4 287 B7R0.1 C/C=C/CSCCC 62a_100000210303_100102629194 [1,0,0,0,0,0|2,0,1]=4 288 B7R0.1 C/C=C/CSCCC 62a_100102629194_100000210303 [1,0,0,0,0,0|2,0,1]=4 289 B7R0.1 CC/C=C\CCNC 2230a_106832991635_100015370543 [1,0,0,0,0,0|2,0,1]=4 290 B7R0.1 CC/C=C\CCNC 34a_100102657272_100015370543 [1,0,0,0,0,0|2,0,1]=4 291 B7R0.1 CC/C=C\CCNC 7a_106832991635_100015370543 [1,0,0,0,0,0|2,0,1]=4 292 B7R0.1 CC/C=C\CCOC 34a_100016288707_200000210301 [1,0,0,0,0,0|0,0,3]=4 293 B7R0.1 CC/C=C\CCOC 34a_100138415774_100015370543 [1,0,0,0,0,0|0,0,3]=4 294 B7R0.1 CC/C=C\CCOC 7a_100016288707_200000210301 [1,0,0,0,0,0|0,0,3]=4 295 B7R0.1 CC/C=C\CCO[13CH3] 34a_100016288707_200025704644 [1,0,0,0,0,0|0,0,3]=4 296 B7R0.1 CC/C=C\CCO[13CH3] 7a_100016288707_200025704644 [1,0,0,0,0,0|0,0,3]=4 297 B7R0.1 CC/C=C\CCSC 62a_100015370543_200000210301 [1,0,0,0,0,0|2,0,1]=4 298 B7R0.1 CC/C=C\CCSC 62a_200000210301_100015370543 [1,0,0,0,0,0|2,0,1]=4 299 B7R0.1 CC/C=C\CCS[13CH3] 62a_100015370543_200025704644 [1,0,0,0,0,0|2,0,1]=4 300 B7R0.1 CC/C=C\CCS[13CH3] 62a_200025704644_100015370543 [1,0,0,0,0,0|2,0,1]=4 301 B7R0.1 CC/C=C\CNCC 2230a_100015525214_100103147603 [1,0,0,0,0,0|2,0,1]=4 302 B7R0.1 CC/C=C\COCC 34a_100016268518_100000210202 [1,0,0,0,0,0|2,0,1]=4 303 B7R0.1 CC/C=C\COCC 34a_100121572206_100103147603 [1,0,0,0,0,0|2,0,1]=4 304 B7R0.1 CC/C=C\CSCC 62a_100000210202_100103147603 [1,0,0,0,0,0|2,0,1]=4 305 B7R0.1 CC/C=C\CSCC 62a_100103147603_100000210202 [1,0,0,0,0,0|2,0,1]=4 306 B7R0.1 CC=CCOCCC 34a_100000210258_100000070051 [1,0,0,0,0,0|2,0,1]=4 307 B7R0.1 CC=CCSCCC 62a_100000070051_100000210303 [1,0,0,0,0,0|2,0,1]=4 308 B7R0.1 CC=CCSCCC 62a_100000210303_100000070051 [1,0,0,0,0,0|2,0,1]=4 309 B7R0.1 CCC/C=C/COC 34a_100016278788_200000210301 [1,0,0,0,0,0|0,0,1]=2 310 B7R0.1 CCC/C=C/COC 7a_100016278788_200000210301 [1,0,0,0,0,0|0,0,1]=2 311 B7R0.1 CCC/C=C/CO[13CH3] 34a_100016278788_200025704644 [1,0,0,0,0,0|0,0,1]=2 312 B7R0.1 CCC/C=C/CO[13CH3] 7a_100016278788_200025704644 [1,0,0,0,0,0|0,0,1]=2 313 B7R0.1 CCC=NNCCC 4a_100000740057_100000210100 [1,0,0,0,0,0|3,0,0]=4 314 B7R0.1 CCCC#CCOC 34a_100000034806_200000210301 [1,0,0,0,0,0|0,0,3]=4 315 B7R0.1 CCCC#CCOC 7a_100000034806_200000210301 [1,0,0,0,0,0|0,0,3]=4 316 B7R0.1 CCCC#CCO[13CH3] 34a_100000034806_200025704644 [1,0,0,0,0,0|0,0,3]=4 317 B7R0.1 CCCC#CCO[13CH3] 7a_100000034806_200025704644 [1,0,0,0,0,0|0,0,3]=4 318 B7R0.1 CCCC=NNCC 4a_100000756455_100000185831 [1,0,0,0,0,0|3,0,0]=4 319 B7R0.1 CCCCCCOC 34a_100000210259_200000210301 [1,0,0,0,0,0|0,0,3]=4 320 B7R0.1 CCCCCCOC 34a_100138415774_100000210314 [1,0,0,0,0,0|0,0,3]=4 321 B7R0.1 CCCCCCOC 7a_100000210259_200000210301 [1,0,0,0,0,0|0,0,3]=4 322 B7R0.1 CCCCCCO[13CH3] 34a_100000210259_200025704644 [1,0,0,0,0,0|0,0,3]=4 323 B7R0.1 CCCCCCO[13CH3] 7a_100000210259_200025704644 [1,0,0,0,0,0|0,0,3]=4 324 B7R0.1 CCCCNCOC 2230a_100000102301_100000766300 [1,0,0,0,0,0|1,0,2]=4 325 B7R0.1 CCCCOCOC 34a_100138415774_100011995733 [1,0,0,0,0,0|1,0,2]=4 326 B7R0.1 CCCCSCOC 62a_100000210211_100000766300 [1,0,0,0,0,0|1,0,2]=4 327 B7R0.1 CCCCSCOC 62a_100000766300_100000210210 [1,0,0,0,0,0|1,0,2]=4 328 B7R0.1 CCCNCCOC 2230a_100000209980_100000210303 [1,0,0,0,0,0|1,0,2]=4 329 B7R0.1 CCCOCCOC 34a_100000210237_100000210303 [1,0,0,0,0,0|1,0,2]=4 330 B7R0.1 CCCOCCOC 34a_100000210258_100011201679 [1,0,0,0,0,0|1,0,2]=4 331 B7R0.1 CCCOCCOC 34a_100000752267_200000210301 [1,0,0,0,0,0|1,0,2]=4 332 B7R0.1 CCCOCCOC 34a_100138415774_100011215938 [1,0,0,0,0,0|1,0,2]=4 333 B7R0.1 CCCOCCOC 7a_100000752267_200000210301 [1,0,0,0,0,0|1,0,2]=4 334 B7R0.1 CCCOCCO[13CH3] 34a_100000752267_200025704644 [1,0,0,0,0,0|1,0,2]=4 335 B7R0.1 CCCOCCO[13CH3] 7a_100000752267_200025704644 [1,0,0,0,0,0|1,0,2]=4 336 B7R0.1 CCCSCCOC 34a_200000230433_200000210301 [1,0,0,0,0,0|1,0,2]=4 337 B7R0.1 CCCSCCOC 62a_100000210303_100000233755 [1,0,0,0,0,0|1,0,2]=4 338 B7R0.1 CCCSCCOC 62a_100000233755_100000210303 [1,0,0,0,0,0|1,0,2]=4 339 B7R0.1 CCCSCCOC 7a_200000230433_200000210301 [1,0,0,0,0,0|1,0,2]=4 340 B7R0.1 CCCSCCO[13CH3] 34a_200000230433_200025704644 [1,0,0,0,0,0|1,0,2]=4 341 B7R0.1 CCCSCCO[13CH3] 7a_200000230433_200025704644 [1,0,0,0,0,0|1,0,2]=4 342 B7R0.3 C#CC(=O)CCCC 1458a_100000211873_100000210211 [1,0,0,0,0,0|1,0,2]=4 343 B7R0.3 C/C=C/CC(=O)CC 1458a_100000210414_100102629194 [1,0,0,0,0,0|1,0,2]=4 344 B7R0.3 C=CC(=O)CCCC 1458a_100000185746_100000210211 [1,0,0,0,0,0|1,0,2]=4 345 B7R0.3 C=CC(=O)NCCC 1626a_100020643023_100000185746 [1,0,0,0,0,0|2,0,1]=4 346 B7R0.3 C=CC(=O)NCCC 240690a_100020643023_200121576911 [1,0,0,0,0,0|2,0,1]=4 347 B7R0.3 C=CC=CC(=O)CC 1458a_100016291481_100000210202 [1,0,0,0,0,0|1,0,2]=4 348 B7R0.3 C=CC=CC(=O)NC 1626a_100102657272_100016291481 [1,0,0,0,0,0|1,0,2]=4 349 B7R0.3 CC=CCC(=O)CC 1458a_100000210414_100000070051 [1,0,0,0,0,0|1,0,2]=4 350 B7R0.3 CC=CCC(=O)CC 1458a_100121576822_100000210202 [1,0,0,0,0,0|1,0,2]=4 351 B7R0.3 CC=CCC(=O)NC 11a_106832991635_100121576822 [1,0,0,0,0,0|1,0,2]=4 352 B7R0.3 CC=CCC(=O)NC 1626a_100102657272_100121576822 [1,0,0,0,0,0|1,0,2]=4 353 B7R0.3 CC=CCC(=O)NC 240690a_100102657272_100121576822 [1,0,0,0,0,0|1,0,2]=4 354 B7R0.3 CC=CCC(=O)NC 527a_100102657272_100121576822 [1,0,0,0,0,0|1,0,2]=4 355 B7R0.3 CCC#CC(=O)CC 1458a_100011827653_100000210202 [1,0,0,0,0,0|1,0,2]=4 356 B7R0.3 CCC(=O)C=COC 1458a_100016268678_100000210202 [1,0,0,0,0,0|2,0,0]=3 357 B7R0.3 CCC(=O)CCCF 1458a_100000210414_100011934791 [1,0,0,0,0,0|2,0,1]=4 358 B7R0.3 CCC(=O)CCCO 1458a_100000210414_100011215043 [1,0,0,0,0,0|2,0,1]=4 359 B7R0.3 CCC(=O)CCOC 1458a_100000210414_100000233755 [1,0,0,0,0,0|2,0,1]=4 360 B7R0.3 CCC(=O)CCOC 1458a_100000749529_100000210202 [1,0,0,0,0,0|2,0,1]=4 361 B7R0.3 CCC(=O)CCSC 1458a_100000174002_100000210202 [1,0,0,0,0,0|2,0,1]=4 362 B7R0.3 CCC(=O)CCSC 1458a_100000210414_100000751147 [1,0,0,0,0,0|2,0,1]=4 363 B7R0.3 CCC(=O)NCCF 11a_100000724931_100000210414 [1,0,0,0,0,0|3,0,0]=4 364 B7R0.3 CCC(=O)NCCF 1626a_100000724931_100000210414 [1,0,0,0,0,0|3,0,0]=4 365 B7R0.3 CCC(=O)NCCF 240690a_100000724931_100000210414 [1,0,0,0,0,0|3,0,0]=4 366 B7R0.3 CCC(=O)NCCF 527a_100000724931_100000210414 [1,0,0,0,0,0|3,0,0]=4 367 B7R0.3 CCC(=O)NCCO 240690a_100000210304_100000210414 [1,0,0,0,0,0|3,0,0]=4 368 B7R0.3 CCC(=O)NCCO 527a_100000210304_100000210414 [1,0,0,0,0,0|3,0,0]=4 369 B7R0.3 CCC=CC(=O)CC 1458a_100000212282_100000210202 [1,0,0,0,0,0|1,0,0]=2 370 B7R0.3 CCC=CC(=O)CF 1458a_100000212282_100015361967 [1,0,0,0,0,0|2,0,0]=3 371 B7R0.3 CCC=CC(=O)NC 11a_106832991635_100000212282 [1,0,0,0,0,0|1,0,0]=2 372 B7R0.3 CCC=CC(=O)NC 1626a_100102657272_100000212282 [1,0,0,0,0,0|1,0,0]=2 373 B7R0.3 CCC=CC(=O)NC 240690a_100102657272_100000212282 [1,0,0,0,0,0|1,0,0]=2 374 B7R0.3 CCCCC(=O)CC 1458a_100000210183_100000210202 [1,0,0,0,0,0|1,0,1]=3 375 B7R0.3 CCCCC(=O)CC 1458a_100000210414_100000210211 [1,0,0,0,0,0|1,0,1]=3 376 B7R0.3 CCCCC(=O)CF 1458a_100000210183_100015361967 [1,0,0,0,0,0|2,0,1]=4 377 B7R0.3 CCCCC(=O)CO 1458a_100000210174_100000210211 [1,0,0,0,0,0|2,0,1]=4 378 B7R0.3 CCCCC(=O)NC 11a_106832991635_100000210183 [1,0,0,0,0,0|1,0,1]=3 379 B7R0.3 CCCCC(=O)NC 1626a_100102657272_100000210183 [1,0,0,0,0,0|1,0,1]=3 380 B7R0.3 CCCCC(=O)NC 240690a_100102657272_100000210183 [1,0,0,0,0,0|1,0,1]=3 381 B7R0.3 CCCCC(=O)NC 527a_100102657272_100000210183 [1,0,0,0,0,0|1,0,1]=3 382 B7R0.3 CCCCC(C)OC 34a_100000687866_200000210301 [1,0,0,0,0,0|1,0,2]=4 383 B7R0.3 CCCCC(C)OC 34a_100138415774_200011215066 [1,0,0,0,0,0|1,0,2]=4 384 B7R0.3 CCCCC(C)OC 7a_100000687866_200000210301 [1,0,0,0,0,0|1,0,2]=4 385 B7R0.3 CCCCC(C)O[13CH3] 34a_100000687866_200025704644 [1,0,0,0,0,0|1,0,2]=4 386 B7R0.3 CCCCC(C)O[13CH3] 7a_100000687866_200025704644 [1,0,0,0,0,0|1,0,2]=4 387 B7R0.3 CCCNC(=O)CC 11a_100020643023_100000210414 [1,0,0,0,0,0|2,0,0]=3 388 B7R0.3 CCCNC(=O)CC 1626a_100020643023_100000210414 [1,0,0,0,0,0|2,0,0]=3 389 B7R0.3 CCCNC(=O)CC 240690a_100020643023_100000210414 [1,0,0,0,0,0|2,0,0]=3 390 B7R0.3 CCCNC(=O)CC 527a_100020643023_100000210414 [1,0,0,0,0,0|2,0,0]=3 391 B7R0.3 CCCNC(=O)CO 240690a_100020643023_100000210174 [1,0,0,0,0,0|3,0,0]=4 392 B7R0.3 CCCNC(=O)CO 527a_100020643023_100000210174 [1,0,0,0,0,0|3,0,0]=4 393 B7R0.3 CCCNC(=O)NC 2708a_100020643023_106832991635 [1,0,0,0,0,0|2,0,0]=3 394 B7R0.3 CCCNC(=O)NC 2708a_100102657272_100020643023 [1,0,0,0,0,0|2,0,0]=3 395 B7R0.3 CCCNC(=O)NC 273464a_100020643023_100102657272 [1,0,0,0,0,0|2,0,0]=3 396 B7R0.3 CCCNC(=O)NC 273464a_100102657272_100020643023 [1,0,0,0,0,0|2,0,0]=3 397 B7R0.3 CCCNC(=O)NC 512a_100020643023_100102657272 [1,0,0,0,0,0|2,0,0]=3 398 B7R0.3 CCCNC(=O)NC 512a_106832991638_100020643023 [1,0,0,0,0,0|2,0,0]=3 399 B7R0.3 CCCSC(C)OC 62a_100000210303_100009879195 [1,0,0,0,0,0|2,0,1]=4 400 B7R0.3 CCCSC(C)OC 62a_100009879195_100000210303 [1,0,0,0,0,0|2,0,1]=4 401 B7R0.3 CCNCC(=O)NC 2230a_100000693194_100000210202 [1,0,0,0,0,0|2,0,1]=4 402 B7R0.3 CCNCC(=O)NC 2230a_100015525214_100000183359 [1,0,0,0,0,0|2,0,1]=4 403 B7R0.3 CCNCC(=O)OC 2230a_100015525214_100000747449 [1,0,0,0,0,0|1,0,1]=3 404 B7R0.3 CCNNC(=O)CC 22a_100000756455_100000210414 [1,0,0,0,0,0|3,0,0]=4 405 B7R0.3 CCNNC(=O)NC 273464a_100102657272_100000756455 [1,0,0,0,0,0|3,0,0]=4 406 B7R0.3 CCNNC(=O)NC 512a_100000756455_100102657272 [1,0,0,0,0,0|3,0,0]=4 407 B7R0.3 CCNNC(=O)NC 512a_106832991638_100000756455 [1,0,0,0,0,0|3,0,0]=4 408 B7R0.3 CCOCC(=O)CC 1458a_100000211967_100000210202 [1,0,0,0,0,0|2,0,1]=4 409 B7R0.3 CCOCC(=O)CC 34a_100000725409_100000210202 [1,0,0,0,0,0|2,0,1]=4 410 B7R0.3 CCOCC(=O)NC 11a_106832991635_100000211967 [1,0,0,0,0,0|2,0,1]=4 411 B7R0.3 CCOCC(=O)NC 1626a_100102657272_100000211967 [1,0,0,0,0,0|2,0,1]=4 412 B7R0.3 CCOCC(=O)NC 240690a_100102657272_100000211967 [1,0,0,0,0,0|2,0,1]=4 413 B7R0.3 CCOCC(=O)NC 34a_100000750040_100000210202 [1,0,0,0,0,0|2,0,1]=4 414 B7R0.3 CCOCC(=O)NC 34a_100121572206_100000183359 [1,0,0,0,0,0|2,0,1]=4 415 B7R0.3 CCOCC(=O)NC 527a_100102657272_100000211967 [1,0,0,0,0,0|2,0,1]=4 416 B7R0.3 CCOCC(=O)OC 34a_100121572206_100000747449 [1,0,0,0,0,0|1,0,1]=3 417 B7R0.3 CCSCC(=O)CC 1458a_100000230394_100000210202 [1,0,0,0,0,0|2,0,1]=4 418 B7R0.3 CCSCC(=O)CC 62a_100000210202_100000747405 [1,0,0,0,0,0|2,0,1]=4 419 B7R0.3 CCSCC(=O)CC 62a_100000747405_100000210202 [1,0,0,0,0,0|2,0,1]=4 420 B7R0.3 CCSCC(=O)NC 11a_106832991635_100000230394 [1,0,0,0,0,0|2,0,1]=4 421 B7R0.3 CCSCC(=O)NC 1626a_100102657272_100000230394 [1,0,0,0,0,0|2,0,1]=4 422 B7R0.3 CCSCC(=O)NC 240690a_100102657272_100000230394 [1,0,0,0,0,0|2,0,1]=4 423 B7R0.3 CCSCC(=O)NC 527a_100102657272_100000230394 [1,0,0,0,0,0|2,0,1]=4 424 B7R0.3 CCSCC(=O)NC 62a_100000183359_100000210202 [1,0,0,0,0,0|2,0,1]=4 425 B7R0.3 CCSCC(=O)NC 62a_100000210202_100000183359 [1,0,0,0,0,0|2,0,1]=4 426 B7R0.3 CCSCC(=O)OC 62a_100000210202_100000747449 [1,0,0,0,0,0|1,0,1]=3 427 B7R0.3 CCSCC(=O)OC 62a_100000747449_100000210202 [1,0,0,0,0,0|1,0,1]=3 428 B7R0.3 CNC(=O)C=COC 1626a_100102657272_100016268678 [1,0,0,0,0,0|2,0,0]=3 429 B7R0.3 CNC(=O)C=COC 240690a_100102657272_100016268678 [1,0,0,0,0,0|2,0,0]=3 430 B7R0.3 CNC(=O)CCN[13CH3] 2230a_100000738227_200025704644 [1,0,0,0,0,0|2,0,1]=4 431 B7R0.3 CNC(=O)CCN[13CH3] 34a_100000738227_200025704644 [1,0,0,0,0,0|2,0,1]=4 432 B7R0.3 CNC(=O)CCOC 11a_106832991635_100000749529 [1,0,0,0,0,0|2,0,1]=4 433 B7R0.3 CNC(=O)CCOC 1626a_100102657272_100000749529 [1,0,0,0,0,0|2,0,1]=4 434 B7R0.3 CNC(=O)CCOC 240690a_100102657272_100000749529 [1,0,0,0,0,0|2,0,1]=4 435 B7R0.3 CNC(=O)CCOC 34a_100000754576_200000210301 [1,0,0,0,0,0|2,0,1]=4 436 B7R0.3 CNC(=O)CCOC 34a_100138415774_100012179268 [1,0,0,0,0,0|2,0,1]=4 437 B7R0.3 CNC(=O)CCOC 527a_100102657272_100000749529 [1,0,0,0,0,0|2,0,1]=4 438 B7R0.3 CNC(=O)CCO[13CH3] 34a_100000754576_200025704644 [1,0,0,0,0,0|2,0,1]=4 439 B7R0.3 CNC(=O)CCSC 11a_106832991635_100000174002 [1,0,0,0,0,0|2,0,1]=4 440 B7R0.3 CNC(=O)CCSC 1626a_100102657272_100000174002 [1,0,0,0,0,0|2,0,1]=4 441 B7R0.3 CNC(=O)CCSC 240690a_100102657272_100000174002 [1,0,0,0,0,0|2,0,1]=4 442 B7R0.3 CNC(=O)CCSC 527a_100102657272_100000174002 [1,0,0,0,0,0|2,0,1]=4 443 B7R0.3 CNC(=O)CCSC 62a_100000737683_200000210301 [1,0,0,0,0,0|2,0,1]=4 444 B7R0.3 CNC(=O)CCSC 62a_200000210301_100000737683 [1,0,0,0,0,0|2,0,1]=4 445 B7R0.3 CNC(=O)CCS[13CH3] 62a_100000737683_200025704644 [1,0,0,0,0,0|2,0,1]=4 446 B7R0.3 CNC(=O)CCS[13CH3] 62a_200025704644_100000737683 [1,0,0,0,0,0|2,0,1]=4 447 B7R0.3 CNC(=O)NCCF 2708a_100102657272_100000724931 [1,0,0,0,0,0|3,0,0]=4 448 B7R0.3 CNC(=O)NCCF 273464a_100000724931_100102657272 [1,0,0,0,0,0|3,0,0]=4 449 B7R0.3 CNC(=O)NCCF 273464a_100102657272_100000724931 [1,0,0,0,0,0|3,0,0]=4 450 B7R0.3 CNC(=O)NCCF 512a_106832991638_100000724931 [1,0,0,0,0,0|3,0,0]=4 451 B7R0.3 CNC(=O)NCCO 2708a_100102657272_100000210304 [1,0,0,0,0,0|3,0,0]=4 452 B7R0.3 CNC(=O)NCCO 273464a_100000210304_100102657272 [1,0,0,0,0,0|3,0,0]=4 453 B7R0.3 CNC(=O)NCCO 273464a_100102657272_100000210304 [1,0,0,0,0,0|3,0,0]=4 454 B7R0.3 CNC(=O)NCCO 512a_106832991638_100000210304 [1,0,0,0,0,0|3,0,0]=4 455 B7R0.3 CNCCC(=O)NC 2230a_100000738227_200000210301 [1,0,0,0,0,0|2,0,1]=4 456 B7R0.3 CNCCC(=O)NC 2230a_106832991635_100000737683 [1,0,0,0,0,0|2,0,1]=4 457 B7R0.3 CNCCC(=O)NC 34a_100000738227_200000210301 [1,0,0,0,0,0|2,0,1]=4 458 B7R0.3 CNCCC(=O)NC 34a_100102657272_100012179268 [1,0,0,0,0,0|2,0,1]=4 459 B7R0.3 CNCCC(=O)NC 7a_106832991635_100000737683 [1,0,0,0,0,0|2,0,1]=4 460 B7R0.3 CNCCC(=O)OC 2230a_106832991635_100000204255 [1,0,0,0,0,0|1,0,1]=3 461 B7R0.3 CNCCC(=O)OC 34a_100102657272_100000742370 [1,0,0,0,0,0|1,0,1]=3 462 B7R0.3 CNCCC(=O)OC 7a_106832991635_100000204255 [1,0,0,0,0,0|1,0,1]=3 463 B7R0.3 COC(=O)CCSC 62a_100000204255_200000210301 [1,0,0,0,0,0|1,0,1]=3 464 B7R0.3 COC(=O)CCSC 62a_200000210301_100000204255 [1,0,0,0,0,0|1,0,1]=3 465 B7R0.3 COC(=O)CCS[13CH3] 62a_100000204255_200025704644 [1,0,0,0,0,0|1,0,1]=3 466 B7R0.3 COC(=O)CCS[13CH3] 62a_200025704644_100000204255 [1,0,0,0,0,0|1,0,1]=3 467 B7R0.3 COC(=O)CSCF 62a_100000747449_100015361967 [1,0,0,0,0,0|2,0,1]=4 468 B7R0.3 COC(=O)CSCF 62a_100015361967_100000747449 [1,0,0,0,0,0|2,0,1]=4 469 B7R0.3 COC(=O)OCSC 62a_200000210301_100000139417 [1,0,0,0,0,0|2,0,0]=3 470 B7R0.3 COC(=O)OCS[13CH3] 62a_200025704644_100000139417 [1,0,0,0,0,0|2,0,0]=3 471 B7R0.3 COC=CC(=O)CF 1458a_100016268678_100015361967 [1,0,0,0,0,0|3,0,0]=4 472 B7R0.3 COCCC(=O)OC 34a_100138415774_100000742370 [1,0,0,0,0,0|1,0,1]=3 473 B7R0.4 C/C=C/C=CC(=O)C 1458a_100000185730_200000210301 [1,0,0,0,0,0|0,0,2]=3 474 B7R0.4 C/C=C/C=CC(=O)[13CH3] 1458a_100000185730_200025704644 [1,0,0,0,0,0|0,0,2]=3 475 B7R0.4 C=C(C)C=NNCC 4a_100000756455_100000210575 [1,0,0,0,0,0|3,0,0]=4 476 B7R0.4 C=C(C)COCCC 34a_100000210245_100000210303 [1,0,0,0,0,0|2,0,1]=4 477 B7R0.4 C=C(C)COCCC 34a_100000210258_100000748629 [1,0,0,0,0,0|2,0,1]=4 478 B7R0.4 C=C(C)CSCCC 62a_100000210303_100000211660 [1,0,0,0,0,0|2,0,1]=4 479 B7R0.4 C=C(C)CSCCC 62a_100000748629_100000210303 [1,0,0,0,0,0|2,0,1]=4 480 B7R0.4 CC(=CCCS[13CH3])C 62a_100011217483_200025704644 [1,0,0,0,0,0|2,0,1]=4 481 B7R0.4 CC(=CCCS[13CH3])C 62a_200025704644_100011217483 [1,0,0,0,0,0|2,0,1]=4 482 B7R0.4 CC(=O)CCCCF 1458a_100000070787_100000729493 [1,0,0,0,0,0|1,0,2]=4 483 B7R0.4 CC(=O)CCCCO 1458a_100000070787_100000210776 [1,0,0,0,0,0|1,0,2]=4 484 B7R0.4 CC(=O)CCCCO 1458a_100000695505_200000210301 [1,0,0,0,0,0|1,0,2]=4 485 B7R0.4 CC(=O)CCCO[13CH3] 34a_100000759063_200025704644 [1,0,0,0,0,0|1,0,2]=4 486 B7R0.4 CC(=O)CCCO[13CH3] 7a_100000759063_200025704644 [1,0,0,0,0,0|1,0,2]=4 487 B7R0.4 CC(=O)CCCS[13CH3] 62a_100011215641_200025704644 [1,0,0,0,0,0|1,0,2]=4 488 B7R0.4 CC(=O)CCCS[13CH3] 62a_200025704644_100011215641 [1,0,0,0,0,0|1,0,2]=4 489 B7R0.4 CC(=O)COCCF 34a_100000211253_100011217306 [1,0,0,0,0,0|2,0,1]=4 490 B7R0.4 CC(=O)COCCO 1458a_100000708028_200000210301 [1,0,0,0,0,0|2,0,1]=4 491 B7R0.4 CC(=O)COCCO 34a_100000211253_100000211926 [1,0,0,0,0,0|2,0,1]=4 492 B7R0.4 CC(=O)NCCCF 11a_100015189416_100015343762 [1,0,0,0,0,0|2,0,1]=4 493 B7R0.4 CC(=O)NCCCF 1626a_100015189416_100015343762 [1,0,0,0,0,0|2,0,1]=4 494 B7R0.4 CC(=O)NCCCF 240690a_100015189416_100015343762 [1,0,0,0,0,0|2,0,1]=4 495 B7R0.4 CC(=O)NCCCF 527a_100015189416_100103153847 [1,0,0,0,0,0|2,0,1]=4 496 B7R0.4 CC(=O)NCCCO 240690a_100000182051_100015343762 [1,0,0,0,0,0|2,0,1]=4 497 B7R0.4 CC(=O)NCCCO 527a_100000182051_100103153847 [1,0,0,0,0,0|2,0,1]=4 498 B7R0.4 CC(=O)NCCN[13CH3] 2230a_100000209853_200025704644 [1,0,0,0,0,0|2,0,1]=4 499 B7R0.4 CC(=O)NCCO[13CH3] 34a_100000158858_200025704644 [1,0,0,0,0,0|2,0,1]=4 500 B7R0.4 CC(=O)NCCS[13CH3] 62a_100000189650_200025704644 [1,0,0,0,0,0|2,0,1]=4 501 B7R0.4 CC(=O)NCCS[13CH3] 62a_200025704644_100000189650 [1,0,0,0,0,0|2,0,1]=4 502 B7R0.4 CC(=O)NNCCO 22a_100000210001_100000070787 [1,0,0,0,0,0|3,0,0]=4 503 B7R0.4 CC(=O)OCCS[13CH3] 62a_100009814007_200025704644 [1,0,0,0,0,0|2,0,1]=4 504 B7R0.4 CC(=O)OCCS[13CH3] 62a_200025704644_100009814007 [1,0,0,0,0,0|2,0,1]=4 505 B7R0.4 CC/C=C/CC(=O)C 1458a_100016274230_200000210301 [1,0,0,0,0,0|0,0,2]=3 506 B7R0.4 CC/C=C/CC(=O)[13CH3] 1458a_100016274230_200025704644 [1,0,0,0,0,0|0,0,2]=3 507 B7R0.4 CC/C=C\CC(=O)C 1458a_100000070787_100103147603 [1,0,0,0,0,0|0,0,2]=3 508 B7R0.4 CCC#CCC(=O)C 1458a_100000070787_100009813939 [1,0,0,0,0,0|0,0,3]=4 509 B7R0.4 CCC=NNC(=O)C 4a_100000189765_100000210100 [1,0,0,0,0,0|2,0,1]=4 510 B7R0.4 CCCC#CC(=O)C 1458a_200011218047_200000210301 [1,0,0,0,0,0|0,0,2]=3 511 B7R0.4 CCCC#CC(=O)[13CH3] 1458a_200011218047_200025704644 [1,0,0,0,0,0|0,0,2]=3 512 B7R0.4 CCCC=CC(=O)C 1458a_100000212230_200000210301 [1,0,0,0,0,0|0,0,0]=1 513 B7R0.4 CCCC=CC(=O)[13CH3] 1458a_100000212230_200025704644 [1,0,0,0,0,0|0,0,0]=1 514 B7R0.4 CCCCCC(=O)C 1458a_100000070787_100000210326 [1,0,0,0,0,0|0,0,2]=3 515 B7R0.4 CCCCCC(=O)C 1458a_100000212188_200000210301 [1,0,0,0,0,0|0,0,2]=3 516 B7R0.4 CCCCCC(=O)[13CH3] 1458a_100000212188_200025704644 [1,0,0,0,0,0|0,0,2]=3 517 B7R0.4 CCCCNC(=O)C 11a_100000102301_100015343762 [1,0,0,0,0,0|1,0,1]=3 518 B7R0.4 CCCCNC(=O)C 1626a_100000102301_100015343762 [1,0,0,0,0,0|1,0,1]=3 519 B7R0.4 CCCCNC(=O)C 240690a_100000102301_100015343762 [1,0,0,0,0,0|1,0,1]=3 520 B7R0.4 CCCCNC(=O)C 527a_100000102301_100103153847 [1,0,0,0,0,0|1,0,1]=3 521 B7R0.4 CCCNCC(=O)N 2230a_100000711301_100000210303 [1,0,0,0,0,0|2,0,1]=4 522 B7R0.4 CCCNCC(=O)O 269956a_100016091260_100000210207 [1,0,0,0,0,0|1,0,1]=3 523 B7R0.4 CCCNNC(=O)C 22a_100000740057_100000070787 [1,0,0,0,0,0|2,0,0]=3 524 B7R0.4 CCCOCC(=O)C 1458a_100000745993_200000210301 [1,0,0,0,0,0|1,0,1]=3 525 B7R0.4 CCCOCC(=O)C 34a_100000211253_100000210303 [1,0,0,0,0,0|1,0,1]=3 526 B7R0.4 CCCOCC(=O)N 34a_100000210258_100000187820 [1,0,0,0,0,0|2,0,1]=4 527 B7R0.4 CCCOCC(=O)[13CH3] 1458a_100000745993_200025704644 [1,0,0,0,0,0|1,0,1]=3 528 B7R0.4 CCCOCC(=O)[O-] 34a_100000210258_100020667443 [1,0,0,0,0,0|1,0,2]=4 529 B7R0.4 CCCSCC(=O)C 1458a_100000217233_200000210301 [1,0,0,0,0,0|1,0,1]=3 530 B7R0.4 CCCSCC(=O)N 62a_100000210303_100000747473 [1,0,0,0,0,0|2,0,1]=4 531 B7R0.4 CCCSCC(=O)N 62a_100000747473_100000210303 [1,0,0,0,0,0|2,0,1]=4 532 B7R0.4 CCCSCC(=O)[13CH3] 1458a_100000217233_200025704644 [1,0,0,0,0,0|1,0,1]=3 533 B7R0.4 CCCSCC(=O)[O-] 62a_100000210303_100020667443 [1,0,0,0,0,0|1,0,2]=4 534 B7R0.4 CCCSCC(=O)[O-] 62a_100020667443_100000210303 [1,0,0,0,0,0|1,0,2]=4 535 B7R0.4 CCNCC=C(C)C 2230a_100015525214_100000761012 [1,0,0,0,0,0|2,0,1]=4 536 B7R0.4 CCNCC=C(C)C 34a_100000718196_100000210202 [1,0,0,0,0,0|2,0,1]=4 537 B7R0.4 CCNOCC(=O)O 269956a_100000106656_100000210202 [1,0,0,0,0,0|2,0,1]=4 538 B7R0.4 CCOC=CC(=O)C 1458a_100016266692_200000210301 [1,0,0,0,0,0|1,0,0]=2 539 B7R0.4 CCOC=CC(=O)[13CH3] 1458a_100016266692_200025704644 [1,0,0,0,0,0|1,0,0]=2 540 B7R0.4 CCOCC=C(C)C 34a_100000753907_100000210202 [1,0,0,0,0,0|2,0,1]=4 541 B7R0.4 CCOCC=C(C)C 34a_100121572206_100000761012 [1,0,0,0,0,0|2,0,1]=4 542 B7R0.4 CCOCCC(=O)C 1458a_100000070787_100011215890 [1,0,0,0,0,0|1,0,2]=4 543 B7R0.4 CCOCCC(=O)C 1458a_100000749530_200000210301 [1,0,0,0,0,0|1,0,2]=4 544 B7R0.4 CCOCCC(=O)C 34a_100000759926_100000210202 [1,0,0,0,0,0|1,0,2]=4 545 B7R0.4 CCOCCC(=O)C 7a_100000759926_100000210202 [1,0,0,0,0,0|1,0,2]=4 546 B7R0.4 CCOCCC(=O)[13CH3] 1458a_100000749530_200025704644 [1,0,0,0,0,0|1,0,2]=4 547 B7R0.4 CCOCOC(=O)C 34a_100121572206_100009813279 [1,0,0,0,0,0|2,0,1]=4 548 B7R0.4 CCSCC=C(C)C 62a_100000210202_100000761012 [1,0,0,0,0,0|2,0,1]=4 549 B7R0.4 CCSCC=C(C)C 62a_100000761012_100000210202 [1,0,0,0,0,0|2,0,1]=4 550 B7R0.4 CCSCCC(=O)C 1458a_100000070787_100000757381 [1,0,0,0,0,0|1,0,2]=4 551 B7R0.4 CCSCCC(=O)C 1458a_100000230768_200000210301 [1,0,0,0,0,0|1,0,2]=4 552 B7R0.4 CCSCCC(=O)C 62a_100000053229_100000210202 [1,0,0,0,0,0|1,0,2]=4 553 B7R0.4 CCSCCC(=O)C 62a_100000210202_100000053229 [1,0,0,0,0,0|1,0,2]=4 554 B7R0.4 CCSCCC(=O)[13CH3] 1458a_100000230768_200025704644 [1,0,0,0,0,0|1,0,2]=4 555 B7R0.4 CCSCOC(=O)C 62a_100000076356_100000210202 [1,0,0,0,0,0|2,0,1]=4 556 B7R0.4 CCSCOC(=O)C 62a_100000210202_100000076356 [1,0,0,0,0,0|2,0,1]=4 557 B7R0.4 CNC/C=C/B(O)O 2230a_106832991635_100016262062 [1,0,0,0,0,0|2,0,1]=4 558 B7R0.4 CNC/C=C/B(O)O 34a_100102657272_100016262062 [1,0,0,0,0,0|2,0,1]=4 559 B7R0.4 CNC/C=C/B(O)O 7a_106832991635_100016262062 [1,0,0,0,0,0|2,0,1]=4 560 B7R0.4 CNCCC=C(C)C 2230a_106832991635_100011217483 [1,0,0,0,0,0|2,0,1]=4 561 B7R0.4 CNCCC=C(C)C 34a_100102657272_100011217483 [1,0,0,0,0,0|2,0,1]=4 562 B7R0.4 CNCCC=C(C)C 7a_106832991635_100011217483 [1,0,0,0,0,0|2,0,1]=4 563 B7R0.4 CNCCCC(=O)C 34a_100102657272_100000685027 [1,0,0,0,0,0|1,0,2]=4 564 B7R0.4 CNCCCC(=O)C 7a_106832991635_100011215641 [1,0,0,0,0,0|1,0,2]=4 565 B7R0.4 CNCCNC(=O)C 2230a_100000209853_200000210301 [1,0,0,0,0,0|2,0,1]=4 566 B7R0.4 CNCCNC(=O)C 2230a_106832991635_100000189650 [1,0,0,0,0,0|2,0,1]=4 567 B7R0.4 CNCCNC(=O)C 7a_106832991635_100000189650 [1,0,0,0,0,0|2,0,1]=4 568 B7R0.4 CNCCOC(=O)C 34a_100102657272_100009814007 [1,0,0,0,0,0|2,0,1]=4 569 B7R0.4 CNCCOC(=O)C 7a_106832991635_100009814007 [1,0,0,0,0,0|2,0,1]=4 570 B7R0.4 COC/C=C/B(O)O 34a_100138415774_100016262062 [1,0,0,0,0,0|2,0,1]=4 571 B7R0.4 COCC=CC(=O)C 1458a_100016285016_200000210301 [1,0,0,0,0,0|1,0,0]=2 572 B7R0.4 COCC=CC(=O)[13CH3] 1458a_100016285016_200025704644 [1,0,0,0,0,0|1,0,0]=2 573 B7R0.4 COCCC=C(C)C 34a_100138415774_100011217483 [1,0,0,0,0,0|2,0,1]=4 574 B7R0.4 COCCCC(=O)C 1458a_100000070787_100000740836 [1,0,0,0,0,0|1,0,2]=4 575 B7R0.4 COCCCC(=O)C 1458a_100000741012_200000210301 [1,0,0,0,0,0|1,0,2]=4 576 B7R0.4 COCCCC(=O)C 34a_100000759063_200000210301 [1,0,0,0,0,0|1,0,2]=4 577 B7R0.4 COCCCC(=O)C 34a_100138415774_100000685027 [1,0,0,0,0,0|1,0,2]=4 578 B7R0.4 COCCCC(=O)C 7a_100000759063_200000210301 [1,0,0,0,0,0|1,0,2]=4 579 B7R0.4 COCCCC(=O)[13CH3] 1458a_100000741012_200025704644 [1,0,0,0,0,0|1,0,2]=4 580 B7R0.4 COCCNC(=O)C 1626a_100000209980_100015343762 [1,0,0,0,0,0|2,0,1]=4 581 B7R0.4 COCCNC(=O)C 240690a_100000209980_100015343762 [1,0,0,0,0,0|2,0,1]=4 582 B7R0.4 COCCNC(=O)C 34a_100000158858_200000210301 [1,0,0,0,0,0|2,0,1]=4 583 B7R0.4 COCCNC(=O)C 527a_100000209980_100103153847 [1,0,0,0,0,0|2,0,1]=4 584 B7R0.4 COCCOC(=O)C 34a_100138415774_100009814007 [1,0,0,0,0,0|2,0,1]=4 585 B7R0.4 COCNCC(=O)O 269956a_100016091260_100000766300 [1,0,0,0,0,0|2,0,1]=4 586 B7R0.4 CSC/C=C/B(O)O 62a_100016262062_200000210301 [1,0,0,0,0,0|2,0,1]=4 587 B7R0.4 CSC/C=C/B(O)O 62a_200000210301_100016262062 [1,0,0,0,0,0|2,0,1]=4 588 B7R0.4 CSCCC=C(C)C 62a_100011217483_200000210301 [1,0,0,0,0,0|2,0,1]=4 589 B7R0.4 CSCCC=C(C)C 62a_200000210301_100011217483 [1,0,0,0,0,0|2,0,1]=4 590 B7R0.4 CSCCCC(=O)C 1458a_100000173376_200000210301 [1,0,0,0,0,0|1,0,2]=4 591 B7R0.4 CSCCCC(=O)C 62a_100011215641_200000210301 [1,0,0,0,0,0|1,0,2]=4 592 B7R0.4 CSCCCC(=O)C 62a_200000210301_100011215641 [1,0,0,0,0,0|1,0,2]=4 593 B7R0.4 CSCCCC(=O)[13CH3] 1458a_100000173376_200025704644 [1,0,0,0,0,0|1,0,2]=4 594 B7R0.4 CSCCNC(=O)C 11a_100020590264_100015343762 [1,0,0,0,0,0|2,0,1]=4 595 B7R0.4 CSCCNC(=O)C 1626a_100020590264_100015343762 [1,0,0,0,0,0|2,0,1]=4 596 B7R0.4 CSCCNC(=O)C 240690a_100020590264_100015343762 [1,0,0,0,0,0|2,0,1]=4 597 B7R0.4 CSCCNC(=O)C 527a_100020590264_100103153847 [1,0,0,0,0,0|2,0,1]=4 598 B7R0.4 CSCCNC(=O)C 62a_100000189650_200000210301 [1,0,0,0,0,0|2,0,1]=4 599 B7R0.4 CSCCNC(=O)C 62a_200000210301_100000189650 [1,0,0,0,0,0|2,0,1]=4 600 B7R0.4 CSCCOC(=O)C 62a_100009814007_200000210301 [1,0,0,0,0,0|2,0,1]=4 601 B7R0.4 CSCCOC(=O)C 62a_200000210301_100009814007 [1,0,0,0,0,0|2,0,1]=4 602 B7R0.4 CSCNCC(=O)O 269956a_100016091260_100011218213 [1,0,0,0,0,0|2,0,1]=4 603 B7R0.4 CSCOCC(=O)C 34a_100000211253_100011218213 [1,0,0,0,0,0|2,0,1]=4 604 B7R0.4 O=C(O)CNCCF 269956a_100016091260_100011217306 [1,0,0,0,0,0|2,0,1]=4 605 B7R0.4 O=C(O)CNCCO 269956a_100016091260_100000211926 [1,0,0,0,0,0|2,0,1]=4 606 B7R0.4 [13CH3]C(=O)CCCCO 1458a_100000695505_200025704644 [1,0,0,0,0,0|1,0,2]=4 607 B7R0.4 [13CH3]C(=O)COCCO 1458a_100000708028_200025704644 [1,0,0,0,0,0|2,0,1]=4 608 B7R0.4 [13CH3]SC/C=C/B(O)O 62a_100016262062_200025704644 [1,0,0,0,0,0|2,0,1]=4 609 B7R0.4 [13CH3]SC/C=C/B(O)O 62a_200025704644_100016262062 [1,0,0,0,0,0|2,0,1]=4 610 B9R0.1 C=C(C)COCC(=O)OC 34a_100000210245_100000747449 [0,1,0,0,0,0|1,0,2]=4 611 B9R0.1 C=C(C)CSCC(=O)OC 62a_100000747449_100000211660 [0,1,0,0,0,0|1,0,2]=4 612 B9R0.1 C=C(C)CSCC(=O)OC 62a_100000748629_100000747449 [0,1,0,0,0,0|1,0,2]=4 613 B9R0.1 CCC(=O)C/C=C/C(C)C 1458a_100016292215_100000210202 [0,1,0,0,0,0|1,0,2]=4 614 B9R0.1 CCC(=O)C=CCN(C)C 1458a_100000754359_100000210202 [0,1,0,0,0,0|2,0,0]=3 615 B9R0.1 CCC(=O)CCCC(C)C 1458a_100000210414_100011214892 [0,1,0,0,0,0|1,0,2]=4 616 B9R0.1 CCC(=O)CCCC(C)C 1458a_100011216857_100000210202 [0,1,0,0,0,0|1,0,2]=4 617 B9R0.1 CCC(=O)CCCC(C)O 1458a_100000210414_200000718107 [0,1,0,0,0,0|1,0,2]=4 618 B9R0.1 CCC(=O)COCC(C)C 1458a_100011223364_100000210202 [0,1,0,0,0,0|2,0,1]=4 619 B9R0.1 CCC(=O)COCC(C)C 34a_100000725409_100000210624 [0,1,0,0,0,0|2,0,1]=4 620 B9R0.1 CCC(=O)COCC(C)O 34a_100000725409_100011218427 [0,1,0,0,0,0|2,0,1]=4 621 B9R0.1 CCC(=O)COC[C@@H](C)O 34a_100000725409_100009817552 [0,1,0,0,0,0|2,0,1]=4 622 B9R0.1 CCC(=O)CSCC(C)C 62a_100000210624_100000747405 [0,1,0,0,0,0|2,0,1]=4 623 B9R0.1 CCC(=O)CSCC(C)C 62a_100000747405_100000210760 [0,1,0,0,0,0|2,0,1]=4 624 B9R0.1 CCC(=O)CSCC(C)O 62a_100000747405_100011218427 [0,1,0,0,0,0|2,0,1]=4 625 B9R0.1 CCC(=O)CSCC(C)O 62a_100011218427_100000747405 [0,1,0,0,0,0|2,0,1]=4 626 B9R0.1 CCC(=O)CSC[C@@H](C)O 62a_100000747405_100009817552 [0,1,0,0,0,0|2,0,1]=4 627 B9R0.1 CCC(=O)CSC[C@@H](C)O 62a_100009817552_100000747405 [0,1,0,0,0,0|2,0,1]=4 628 B9R0.1 CCC(=O)NCCC(C)C 11a_100000210545_100000210414 [0,1,0,0,0,0|2,0,1]=4 629 B9R0.1 CCC(=O)NCCC(C)C 1626a_100000210545_100000210414 [0,1,0,0,0,0|2,0,1]=4 630 B9R0.1 CCC(=O)NCCC(C)C 240690a_100000210545_100000210414 [0,1,0,0,0,0|2,0,1]=4 631 B9R0.1 CCC(=O)NCCC(C)C 527a_100000210545_100000210414 [0,1,0,0,0,0|2,0,1]=4 632 B9R0.1 CCC(=O)NCCC(C)O 240690a_200000755665_100000210414 [0,1,0,0,0,0|2,0,1]=4 633 B9R0.1 CCC(=O)NCCC(C)O 527a_200000755665_100000210414 [0,1,0,0,0,0|2,0,1]=4 634 B9R0.1 CCC(=O)NNCC(C)C 22a_100000696102_100000210414 [0,1,0,0,0,0|3,0,0]=4 635 B9R0.1 CCC(=O)NNCC(C)O 22a_200000730056_100000210414 [0,1,0,0,0,0|3,0,0]=4 636 B9R0.1 CN(C)CC=CC(=O)CF 1458a_100000754359_100015361967 [0,1,0,0,0,0|3,0,0]=4 637 B9R0.1 CNC(=O)C/C=C/C(C)C 11a_106832991635_100016292215 [0,1,0,0,0,0|1,0,2]=4 638 B9R0.1 CNC(=O)C/C=C/C(C)C 1626a_100102657272_100016292215 [0,1,0,0,0,0|1,0,2]=4 639 B9R0.1 CNC(=O)C/C=C/C(C)C 240690a_100102657272_100016292215 [0,1,0,0,0,0|1,0,2]=4 640 B9R0.1 CNC(=O)C=CCN(C)C 240690a_100102657272_100000754359 [0,1,0,0,0,0|2,0,0]=3 641 B9R0.1 CNC(=O)CCCC(C)C 11a_106832991635_100011216857 [0,1,0,0,0,0|1,0,2]=4 642 B9R0.1 CNC(=O)CCCC(C)C 1626a_100102657272_100011216857 [0,1,0,0,0,0|1,0,2]=4 643 B9R0.1 CNC(=O)CCCC(C)C 240690a_100102657272_100011216857 [0,1,0,0,0,0|1,0,2]=4 644 B9R0.1 CNC(=O)CCCC(C)C 527a_100102657272_100011216857 [0,1,0,0,0,0|1,0,2]=4 645 B9R0.1 CNC(=O)CCCC(C)O 1626a_100102657272_100000761597 [0,1,0,0,0,0|1,0,2]=4 646 B9R0.1 CNC(=O)CCCC(C)O 527a_100102657272_100000761597 [0,1,0,0,0,0|1,0,2]=4 647 B9R0.1 CNC(=O)CNCC(C)C 2230a_100000210953_100000183359 [0,1,0,0,0,0|2,0,1]=4 648 B9R0.1 CNC(=O)CNCC(C)C 2230a_100000693194_100000210760 [0,1,0,0,0,0|2,0,1]=4 649 B9R0.1 CNC(=O)CNCC(C)C 270004a_100000693194_100000210432 [0,1,0,0,0,0|2,0,1]=4 650 B9R0.1 CNC(=O)CNCC(C)C 34a_100000210953_100000183359 [0,1,0,0,0,0|2,0,1]=4 651 B9R0.1 CNC(=O)CNCC(C)O 2230a_100000210904_100000183359 [0,1,0,0,0,0|2,0,1]=4 652 B9R0.1 CNC(=O)CNCC(C)O 2230a_100000693194_100011218427 [0,1,0,0,0,0|2,0,1]=4 653 B9R0.1 CNC(=O)CNCC(C)O 34a_100000210904_100000183359 [0,1,0,0,0,0|2,0,1]=4 654 B9R0.1 CNC(=O)CNC[C@@H](C)O 2230a_100000693194_100009817552 [0,1,0,0,0,0|2,0,1]=4 655 B9R0.1 CNC(=O)COCC(C)Br 34a_100012180447_100000183359 [0,1,0,0,0,0|2,0,1]=4 656 B9R0.1 CNC(=O)COCC(C)C 11a_106832991635_100011223364 [0,1,0,0,0,0|2,0,1]=4 657 B9R0.1 CNC(=O)COCC(C)C 1626a_100102657272_100011223364 [0,1,0,0,0,0|2,0,1]=4 658 B9R0.1 CNC(=O)COCC(C)C 240690a_100102657272_100011223364 [0,1,0,0,0,0|2,0,1]=4 659 B9R0.1 CNC(=O)COCC(C)C 34a_100000210257_100000183359 [0,1,0,0,0,0|2,0,1]=4 660 B9R0.1 CNC(=O)COCC(C)C 34a_100000750040_100000210624 [0,1,0,0,0,0|2,0,1]=4 661 B9R0.1 CNC(=O)COCC(C)C 527a_100102657272_100011223364 [0,1,0,0,0,0|2,0,1]=4 662 B9R0.1 CNC(=O)COCC(C)F 34a_100015925927_100000183359 [0,1,0,0,0,0|2,0,1]=4 663 B9R0.1 CNC(=O)COCC(C)O 34a_100000750040_100011218427 [0,1,0,0,0,0|2,0,1]=4 664 B9R0.1 CNC(=O)COC[C@@H](C)Cl 34a_100016084084_100000183359 [0,1,0,0,0,0|2,0,1]=4 665 B9R0.1 CNC(=O)COC[C@@H](C)N 34a_100000737577_100000183359 [0,1,0,0,0,0|2,0,1]=4 666 B9R0.1 CNC(=O)COC[C@@H](C)O 34a_100000750040_100009817552 [0,1,0,0,0,0|2,0,1]=4 667 B9R0.1 CNC(=O)CSCC(C)C 62a_100000183359_100000210760 [0,1,0,0,0,0|2,0,1]=4 668 B9R0.1 CNC(=O)CSCC(C)C 62a_100000210624_100000183359 [0,1,0,0,0,0|2,0,1]=4 669 B9R0.1 CNC(=O)CSCC(C)O 62a_100000183359_100011218427 [0,1,0,0,0,0|2,0,1]=4 670 B9R0.1 CNC(=O)CSCC(C)O 62a_100011218427_100000183359 [0,1,0,0,0,0|2,0,1]=4 671 B9R0.1 CNC(=O)CSC[C@@H](C)O 62a_100000183359_100009817552 [0,1,0,0,0,0|2,0,1]=4 672 B9R0.1 CNC(=O)CSC[C@@H](C)O 62a_100009817552_100000183359 [0,1,0,0,0,0|2,0,1]=4 673 B9R0.1 CNC(=O)NCCC(C)C 2708a_100000210545_106832991635 [0,1,0,0,0,0|2,0,1]=4 674 B9R0.1 CNC(=O)NCCC(C)C 2708a_100102657272_100000210545 [0,1,0,0,0,0|2,0,1]=4 675 B9R0.1 CNC(=O)NCCC(C)C 273464a_100000210545_100102657272 [0,1,0,0,0,0|2,0,1]=4 676 B9R0.1 CNC(=O)NCCC(C)C 273464a_100102657272_100000210545 [0,1,0,0,0,0|2,0,1]=4 677 B9R0.1 CNC(=O)NCCC(C)C 512a_100000210545_100102657272 [0,1,0,0,0,0|2,0,1]=4 678 B9R0.1 CNC(=O)NCCC(C)C 512a_106832991638_100000210545 [0,1,0,0,0,0|2,0,1]=4 679 B9R0.1 CNC(=O)NCCC(C)O 2708a_100102657272_200000755665 [0,1,0,0,0,0|2,0,1]=4 680 B9R0.1 CNC(=O)NCCC(C)O 273464a_200000755665_100102657272 [0,1,0,0,0,0|2,0,1]=4 681 B9R0.1 CNC(=O)NCCC(C)O 512a_106832991638_200000755665 [0,1,0,0,0,0|2,0,1]=4 682 B9R0.1 CNC(=O)NCCC(C)O 512a_200000755665_100102657272 [0,1,0,0,0,0|2,0,1]=4 683 B9R0.1 CNC(=O)NNCC(C)C 273464a_100102657272_100000696102 [0,1,0,0,0,0|3,0,0]=4 684 B9R0.1 CNC(=O)NNCC(C)C 512a_100000696102_100102657272 [0,1,0,0,0,0|3,0,0]=4 685 B9R0.1 CNC(=O)NNCC(C)C 512a_106832991638_100000696102 [0,1,0,0,0,0|3,0,0]=4 686 B9R0.1 CNC(=O)NNCC(C)O 512a_106832991638_200000730056 [0,1,0,0,0,0|3,0,0]=4 687 B9R0.1 CNC(=O)NNCC(C)O 512a_200000730056_100102657272 [0,1,0,0,0,0|3,0,0]=4 688 B9R0.1 COC(=O)/C=C/CN(C)C 2230a_100102631434_100000742655 [0,1,0,0,0,0|1,0,0]=2 689 B9R0.1 COC(=O)/C=C/CN(C)C 269982a_100102631434_100000742655 [0,1,0,0,0,0|1,0,0]=2 690 B9R0.1 COC(=O)C=NNC(=O)C 4a_100000189765_200011823558 [0,1,0,0,0,0|2,0,1]=4 691 B9R0.1 COC(=O)C=NNC(C)C 4a_100000741168_200011823558 [0,1,0,0,0,0|2,0,0]=3 692 B9R0.1 COC(=O)CCCC(=O)C 1458a_100000070787_100011218270 [0,1,0,0,0,0|0,0,3]=4 693 B9R0.1 COC(=O)CCCC(=O)C 1458a_100000239890_200000210301 [0,1,0,0,0,0|0,0,3]=4 694 B9R0.1 COC(=O)CCCC(=O)[13CH3] 1458a_100000239890_200025704644 [0,1,0,0,0,0|0,0,3]=4 695 B9R0.1 COC(=O)CCCN(C)C 2230a_100102631434_100011218270 [0,1,0,0,0,0|1,0,2]=4 696 B9R0.1 COC(=O)CCCN(C)C 269982a_100000739225_200000210301 [0,1,0,0,0,0|1,0,2]=4 697 B9R0.1 COC(=O)CCCN(C)C 269982a_100102631434_100011218270 [0,1,0,0,0,0|1,0,2]=4 698 B9R0.1 COC(=O)CCCN(C)[13CH3] 269982a_100000739225_200025704644 [0,1,0,0,0,0|1,0,2]=4 699 B9R0.1 COC(=O)CCNC(C)C 2230a_100138425928_100000204255 [0,1,0,0,0,0|1,0,2]=4 700 B9R0.1 COC(=O)CCNC(C)C 34a_100138425928_100000742370 [0,1,0,0,0,0|1,0,2]=4 701 B9R0.1 COC(=O)CCOC(C)C 34a_100000212225_100000742370 [0,1,0,0,0,0|1,0,2]=4 702 B9R0.1 COC(=O)CCSC(C)C 62a_100000204255_100000210206 [0,1,0,0,0,0|1,0,2]=4 703 B9R0.1 COC(=O)CCSC(C)C 62a_100000210206_100000204255 [0,1,0,0,0,0|1,0,2]=4 704 B9R0.1 COC(=O)CNCC(C)C 2230a_100000210953_100000747449 [0,1,0,0,0,0|1,0,1]=3 705 B9R0.1 COC(=O)CNCC(C)C 34a_100000210953_100000747449 [0,1,0,0,0,0|1,0,1]=3 706 B9R0.1 COC(=O)CNCC(C)O 2230a_100000210904_100000747449 [0,1,0,0,0,0|1,0,1]=3 707 B9R0.1 COC(=O)CNCC(C)O 34a_100000210904_100000747449 [0,1,0,0,0,0|1,0,1]=3 708 B9R0.1 COC(=O)CNCC(F)F 34a_100000765723_100000747449 [0,1,0,0,0,0|2,0,1]=4 709 B9R0.1 COC(=O)COCC(=O)C 34a_100000211253_100000747449 [0,1,0,0,0,0|1,0,2]=4 710 B9R0.1 COC(=O)COCC(C)Br 34a_100012180447_100000747449 [0,1,0,0,0,0|1,0,1]=3 711 B9R0.1 COC(=O)COCC(C)C 34a_100000210257_100000747449 [0,1,0,0,0,0|1,0,1]=3 712 B9R0.1 COC(=O)COCC(C)F 34a_100015925927_100000747449 [0,1,0,0,0,0|1,0,1]=3 713 B9R0.1 COC(=O)COCC(F)F 34a_100000743014_100000747449 [0,1,0,0,0,0|2,0,1]=4 714 B9R0.1 COC(=O)COC[C@@H](C)Cl 34a_100016084084_100000747449 [0,1,0,0,0,0|1,0,1]=3 715 B9R0.1 COC(=O)COC[C@@H](C)N 34a_100000737577_100000747449 [0,1,0,0,0,0|1,0,1]=3 716 B9R0.1 COC(=O)CSCC(=O)C 1458a_100000191316_200000210301 [0,1,0,0,0,0|1,0,2]=4 717 B9R0.1 COC(=O)CSCC(=O)[13CH3] 1458a_100000191316_200025704644 [0,1,0,0,0,0|1,0,2]=4 718 B9R0.1 COC(=O)CSCC(C)C 62a_100000210624_100000747449 [0,1,0,0,0,0|1,0,1]=3 719 B9R0.1 COC(=O)CSCC(C)C 62a_100000747449_100000210760 [0,1,0,0,0,0|1,0,1]=3 720 B9R0.1 COC(=O)CSCC(C)O 62a_100000747449_100011218427 [0,1,0,0,0,0|1,0,1]=3 721 B9R0.1 COC(=O)CSCC(C)O 62a_100011218427_100000747449 [0,1,0,0,0,0|1,0,1]=3 722 B9R0.1 COC(=O)CSCC(F)F 62a_100000747449_100011934356 [0,1,0,0,0,0|2,0,1]=4 723 B9R0.1 COC(=O)CSCC(F)F 62a_100011934356_100000747449 [0,1,0,0,0,0|2,0,1]=4 724 B9R0.1 COC(=O)CSC[C@@H](C)O 62a_100000747449_100009817552 [0,1,0,0,0,0|1,0,1]=3 725 B9R0.1 COC(=O)CSC[C@@H](C)O 62a_100009817552_100000747449 [0,1,0,0,0,0|1,0,1]=3 726 B9R0.1 COC(=O)OCSC(C)C 62a_100000210206_100000139417 [0,1,0,0,0,0|2,0,1]=4 727 B9R0.5 C#CCC(=O)C=CCCC 1458a_100000212230_100000184674 [0,1,0,0,0,0|1,0,1]=3 728 B9R0.5 C#CCC(=O)C=CCOC 1458a_100016285016_100000184674 [0,1,0,0,0,0|2,0,1]=4 729 B9R0.5 C#CCC(=O)C=COCC 1458a_100016266692_100000184674 [0,1,0,0,0,0|2,0,1]=4 730 B9R0.5 C/C=C/C=CC(=O)CCC 1458a_100000185730_100000210303 [0,1,0,0,0,0|1,0,2]=4 731 B9R0.5 C/C=C/C=CC(=O)CCF 1458a_100000185730_100011217306 [0,1,0,0,0,0|1,0,2]=4 732 B9R0.5 C/C=C/C=CC(=O)CCO 1458a_100000185730_100000211926 [0,1,0,0,0,0|1,0,2]=4 733 B9R0.5 C/C=C/C=CC(=O)NCC 11a_100015525214_100000185730 [0,1,0,0,0,0|1,0,2]=4 734 B9R0.5 C/C=C/C=CC(=O)NCC 240690a_100015525214_100000185730 [0,1,0,0,0,0|1,0,2]=4 735 B9R0.5 C/C=C/C=CC(=O)NNC 22a_100016993582_100000185730 [0,1,0,0,0,0|1,0,2]=4 736 B9R0.5 C=CCC(=O)C=CCCC 1458a_100000212230_100000210623 [0,1,0,0,0,0|1,0,1]=3 737 B9R0.5 C=CCC(=O)C=CCOC 1458a_100016285016_100000210623 [0,1,0,0,0,0|2,0,1]=4 738 B9R0.5 C=CCC(=O)C=COCC 1458a_100016266692_100000210623 [0,1,0,0,0,0|2,0,1]=4 739 B9R0.5 C=COC(=O)COCCC 34a_100000210258_100000036128 [0,1,0,0,0,0|1,0,2]=4 740 B9R0.5 C=COC(=O)CSCCC 62a_100000036128_100000210303 [0,1,0,0,0,0|1,0,2]=4 741 B9R0.5 C=COC(=O)CSCCC 62a_100000210303_100000036128 [0,1,0,0,0,0|1,0,2]=4 742 B9R0.5 CC#CC(=O)C/C=C\CC 1458a_100000763181_100103147603 [0,1,0,0,0,0|1,0,2]=4 743 B9R0.5 CC#CC(=O)CCCCC 1458a_100000763181_100000210326 [0,1,0,0,0,0|1,0,2]=4 744 B9R0.5 CC#CC(=O)NNCCC 22a_100000740057_100000763181 [0,1,0,0,0,0|3,0,0]=4 745 B9R0.5 CC/C=C/CC(=O)CCC 1458a_100016274230_100000210303 [0,1,0,0,0,0|1,0,2]=4 746 B9R0.5 CC/C=C/CC(=O)CCF 1458a_100016274230_100011217306 [0,1,0,0,0,0|1,0,2]=4 747 B9R0.5 CC/C=C/CC(=O)CCO 1458a_100016274230_100000211926 [0,1,0,0,0,0|1,0,2]=4 748 B9R0.5 CC/C=C/CC(=O)NCC 11a_100015525214_100016274230 [0,1,0,0,0,0|1,0,2]=4 749 B9R0.5 CC/C=C/CC(=O)NCC 240690a_100015525214_100016274230 [0,1,0,0,0,0|1,0,2]=4 750 B9R0.5 CC/C=C/CC(=O)NCC 527a_100015525214_100016274230 [0,1,0,0,0,0|1,0,2]=4 751 B9R0.5 CC/C=C/CC(=O)NNC 22a_100016993582_100016274230 [0,1,0,0,0,0|1,0,2]=4 752 B9R0.5 CC/C=C\CC(=O)CCC 1458a_100000211992_100103147603 [0,1,0,0,0,0|1,0,2]=4 753 B9R0.5 CC/C=C\CC(=O)CCO 1458a_100011216618_100103147603 [0,1,0,0,0,0|1,0,2]=4 754 B9R0.5 CC/C=C\CC(=O)COC 1458a_100000210968_100103147603 [0,1,0,0,0,0|0,0,2]=3 755 B9R0.5 CC/C=C\CC(=O)CSC 1458a_100000184570_100103147603 [0,1,0,0,0,0|0,1,2]=4 756 B9R0.5 CC=CC(=O)C/C=C\CC 1458a_100000210699_100103147603 [0,1,0,0,0,0|1,0,2]=4 757 B9R0.5 CC=CC(=O)CCCCC 1458a_100000210699_100000210326 [0,1,0,0,0,0|1,0,2]=4 758 B9R0.5 CC=CC(=O)NCCCC 11a_100000102301_100000210699 [0,1,0,0,0,0|2,0,1]=4 759 B9R0.5 CC=CC(=O)NCCCC 1626a_100000102301_100000210699 [0,1,0,0,0,0|2,0,1]=4 760 B9R0.5 CC=CC(=O)NCCCC 240690a_100000102301_100000210699 [0,1,0,0,0,0|2,0,1]=4 761 B9R0.5 CC=CC(=O)NNCCC 22a_100000740057_100000210699 [0,1,0,0,0,0|3,0,0]=4 762 B9R0.5 CCC#CCC(=O)COC 1458a_100000210968_100009813939 [0,1,0,0,0,0|0,0,3]=4 763 B9R0.5 CCC=NNC(=O)COC 4a_100000216845_100000210100 [0,1,0,0,0,0|2,0,1]=4 764 B9R0.5 CCCC#CC(=O)CCC 1458a_200011218047_100000210303 [0,1,0,0,0,0|1,0,2]=4 765 B9R0.5 CCCC#CC(=O)CCF 1458a_200011218047_100011217306 [0,1,0,0,0,0|1,0,2]=4 766 B9R0.5 CCCC#CC(=O)CCO 1458a_200011218047_100000211926 [0,1,0,0,0,0|1,0,2]=4 767 B9R0.5 CCCC#CC(=O)NCC 240690a_100015525214_200011218047 [0,1,0,0,0,0|1,0,2]=4 768 B9R0.5 CCCC#CC(=O)NNC 22a_100016993582_200011218047 [0,1,0,0,0,0|1,0,2]=4 769 B9R0.5 CCCC(=O)C=CCOC 1458a_100016285016_100000210303 [0,1,0,0,0,0|2,0,0]=3 770 B9R0.5 CCCC(=O)C=COCC 1458a_100016266692_100000210303 [0,1,0,0,0,0|2,0,0]=3 771 B9R0.5 CCCC=CC(=O)CC#N 1458a_100000212230_100011214920 [0,1,0,0,0,0|1,0,1]=3 772 B9R0.5 CCCC=CC(=O)CCC 1458a_100000212230_100000210303 [0,1,0,0,0,0|1,0,0]=2 773 B9R0.5 CCCC=CC(=O)CCF 1458a_100000212230_100011217306 [0,1,0,0,0,0|1,0,0]=2 774 B9R0.5 CCCC=CC(=O)CCO 1458a_100000212230_100000211926 [0,1,0,0,0,0|1,0,0]=2 775 B9R0.5 CCCC=CC(=O)NCC 11a_100015525214_100000212230 [0,1,0,0,0,0|1,0,0]=2 776 B9R0.5 CCCC=CC(=O)NCC 240690a_100015525214_100000212230 [0,1,0,0,0,0|1,0,0]=2 777 B9R0.5 CCCC=CC(=O)NNC 22a_100016993582_100000212230 [0,1,0,0,0,0|1,0,0]=2 778 B9R0.5 CCCCCC(=O)CCC 1458a_100000211992_100000210326 [0,1,0,0,0,0|1,0,2]=4 779 B9R0.5 CCCCCC(=O)CCC 1458a_100000212188_100000210303 [0,1,0,0,0,0|1,0,2]=4 780 B9R0.5 CCCCCC(=O)CCF 1458a_100000212188_100011217306 [0,1,0,0,0,0|1,0,2]=4 781 B9R0.5 CCCCCC(=O)CCO 1458a_100000212188_100000211926 [0,1,0,0,0,0|1,0,2]=4 782 B9R0.5 CCCCCC(=O)CCO 1458a_100011216618_100000210326 [0,1,0,0,0,0|1,0,2]=4 783 B9R0.5 CCCCCC(=O)CNC 2230a_106832991635_200012276598 [0,1,0,0,0,0|1,0,2]=4 784 B9R0.5 CCCCCC(=O)CNC 34a_100102657272_200012276598 [0,1,0,0,0,0|1,0,2]=4 785 B9R0.5 CCCCCC(=O)CNC 7a_106832991635_200012276598 [0,1,0,0,0,0|1,0,2]=4 786 B9R0.5 CCCCCC(=O)COC 1458a_100000210968_100000210326 [0,1,0,0,0,0|0,0,2]=3 787 B9R0.5 CCCCCC(=O)COC 34a_100138415774_200012276598 [0,1,0,0,0,0|0,0,2]=3 788 B9R0.5 CCCCCC(=O)CSC 1458a_100000184570_100000210326 [0,1,0,0,0,0|0,1,2]=4 789 B9R0.5 CCCCCC(=O)CSC 62a_200000210301_200012276598 [0,1,0,0,0,0|0,1,2]=4 790 B9R0.5 CCCCCC(=O)CSC 62a_200012276598_200000210301 [0,1,0,0,0,0|0,1,2]=4 791 B9R0.5 CCCCCC(=O)CS[13CH3] 62a_200012276598_200025704644 [0,1,0,0,0,0|0,1,2]=4 792 B9R0.5 CCCCCC(=O)CS[13CH3] 62a_200025704644_200012276598 [0,1,0,0,0,0|0,1,2]=4 793 B9R0.5 CCCCCC(=O)NCC 11a_100015525214_100000212188 [0,1,0,0,0,0|1,0,2]=4 794 B9R0.5 CCCCCC(=O)NCC 240690a_100015525214_100000212188 [0,1,0,0,0,0|1,0,2]=4 795 B9R0.5 CCCCCC(=O)NCC 527a_100015525214_100000212188 [0,1,0,0,0,0|1,0,2]=4 796 B9R0.5 CCCCCC(=O)NNC 22a_100016993582_100000212188 [0,1,0,0,0,0|1,0,2]=4 797 B9R0.5 CCCCNC(=O)CCC 11a_100000102301_100000211992 [0,1,0,0,0,0|2,0,1]=4 798 B9R0.5 CCCCNC(=O)CCC 1626a_100000102301_100000211992 [0,1,0,0,0,0|2,0,1]=4 799 B9R0.5 CCCCNC(=O)CCC 240690a_100000102301_100000211992 [0,1,0,0,0,0|2,0,1]=4 800 B9R0.5 CCCCNC(=O)CCC 527a_100000102301_100000211992 [0,1,0,0,0,0|2,0,1]=4 801 B9R0.5 CCCCNC(=O)CCO 240690a_100000102301_100011216618 [0,1,0,0,0,0|2,0,1]=4 802 B9R0.5 CCCCNC(=O)CNC 2230a_106832991635_100000182744 [0,1,0,0,0,0|2,0,1]=4 803 B9R0.5 CCCCNC(=O)CNC 34a_100102657272_100000182744 [0,1,0,0,0,0|2,0,1]=4 804 B9R0.5 CCCCNC(=O)CNC 7a_106832991635_100000182744 [0,1,0,0,0,0|2,0,1]=4 805 B9R0.5 CCCCNC(=O)COC 11a_100000102301_100000210968 [0,1,0,0,0,0|1,0,1]=3 806 B9R0.5 CCCCNC(=O)COC 1626a_100000102301_100000210968 [0,1,0,0,0,0|1,0,1]=3 807 B9R0.5 CCCCNC(=O)COC 240690a_100000102301_100000210968 [0,1,0,0,0,0|1,0,1]=3 808 B9R0.5 CCCCNC(=O)COC 34a_100138415774_100000182744 [0,1,0,0,0,0|1,0,1]=3 809 B9R0.5 CCCCNC(=O)COC 527a_100000102301_100000210968 [0,1,0,0,0,0|1,0,1]=3 810 B9R0.5 CCCCNC(=O)CSC 11a_100000102301_100000184570 [0,1,0,0,0,0|1,1,1]=4 811 B9R0.5 CCCCNC(=O)CSC 1626a_100000102301_100000184570 [0,1,0,0,0,0|1,1,1]=4 812 B9R0.5 CCCCNC(=O)CSC 240690a_100000102301_100000184570 [0,1,0,0,0,0|1,1,1]=4 813 B9R0.5 CCCCNC(=O)CSC 527a_100000102301_100000184570 [0,1,0,0,0,0|1,1,1]=4 814 B9R0.5 CCCCNC(=O)CSC 62a_100000182744_200000210301 [0,1,0,0,0,0|1,1,1]=4 815 B9R0.5 CCCCNC(=O)CSC 62a_200000210301_100000182744 [0,1,0,0,0,0|1,1,1]=4 816 B9R0.5 CCCCNC(=O)CS[13CH3] 62a_100000182744_200025704644 [0,1,0,0,0,0|1,1,1]=4 817 B9R0.5 CCCCNC(=O)CS[13CH3] 62a_200025704644_100000182744 [0,1,0,0,0,0|1,1,1]=4 818 B9R0.5 CCCCNC(=O)NCC 2708a_100000102301_100015525214 [0,1,0,0,0,0|2,0,1]=4 819 B9R0.5 CCCCNC(=O)NCC 2708a_100015525214_100000102301 [0,1,0,0,0,0|2,0,1]=4 820 B9R0.5 CCCCNC(=O)NCC 273464a_100000102301_100015525214 [0,1,0,0,0,0|2,0,1]=4 821 B9R0.5 CCCCNC(=O)NCC 273464a_100015525214_100000102301 [0,1,0,0,0,0|2,0,1]=4 822 B9R0.5 CCCCNC(=O)NCC 512a_100000102301_100015525214 [0,1,0,0,0,0|2,0,1]=4 823 B9R0.5 CCCCNC(=O)NCC 512a_100015525214_100000102301 [0,1,0,0,0,0|2,0,1]=4 824 B9R0.5 CCCCNC(=O)NNC 273464a_100000102301_100016993582 [0,1,0,0,0,0|2,0,1]=4 825 B9R0.5 CCCCNC(=O)NNC 512a_100000102301_100016993582 [0,1,0,0,0,0|2,0,1]=4 826 B9R0.5 CCCCNC(=O)NNC 512a_100016993582_100000102301 [0,1,0,0,0,0|2,0,1]=4 827 B9R0.5 CCCCOC(=O)CNC 2230a_106832991635_100000211628 [0,1,0,0,0,0|2,0,1]=4 828 B9R0.5 CCCCOC(=O)CNC 34a_100102657272_100000211628 [0,1,0,0,0,0|2,0,1]=4 829 B9R0.5 CCCCOC(=O)CNC 7a_106832991635_100000211628 [0,1,0,0,0,0|2,0,1]=4 830 B9R0.5 CCCCOC(=O)COC 34a_100138415774_100000211628 [0,1,0,0,0,0|1,0,1]=3 831 B9R0.5 CCCCOC(=O)CSC 62a_100000211628_200000210301 [0,1,0,0,0,0|1,1,1]=4 832 B9R0.5 CCCCOC(=O)CSC 62a_200000210301_100000211628 [0,1,0,0,0,0|1,1,1]=4 833 B9R0.5 CCCCOC(=O)CS[13CH3] 62a_100000211628_200025704644 [0,1,0,0,0,0|1,1,1]=4 834 B9R0.5 CCCCOC(=O)CS[13CH3] 62a_200025704644_100000211628 [0,1,0,0,0,0|1,1,1]=4 835 B9R0.5 CCCNCC(=O)NCC 2230a_100016988866_100000210303 [0,1,0,0,0,0|2,0,1]=4 836 B9R0.5 CCCNN=C(C)COC 4a_100000740057_100000749346 [0,1,0,0,0,0|3,0,0]=4 837 B9R0.5 CCCNNC(=O)CCC 22a_100000740057_100000211992 [0,1,0,0,0,0|3,0,0]=4 838 B9R0.5 CCCNNC(=O)CCO 22a_100000740057_100011216618 [0,1,0,0,0,0|3,0,0]=4 839 B9R0.5 CCCNNC(=O)COC 22a_100000740057_100000210968 [0,1,0,0,0,0|2,0,0]=3 840 B9R0.5 CCCNNC(=O)CSC 22a_100000740057_100000184570 [0,1,0,0,0,0|2,1,0]=4 841 B9R0.5 CCCNNC(=O)NCC 273464a_100015525214_100000740057 [0,1,0,0,0,0|3,0,0]=4 842 B9R0.5 CCCNNC(=O)NCC 512a_100000740057_100015525214 [0,1,0,0,0,0|3,0,0]=4 843 B9R0.5 CCCNNC(=O)NCC 512a_100015525214_100000740057 [0,1,0,0,0,0|3,0,0]=4 844 B9R0.5 CCCNNC(=O)NNC 512a_100000740057_100016993582 [0,1,0,0,0,0|3,0,0]=4 845 B9R0.5 CCCNNC(=O)NNC 512a_100016993582_100000740057 [0,1,0,0,0,0|3,0,0]=4 846 B9R0.5 CCCOCC(=O)CCC 1458a_100000745993_100000210303 [0,1,0,0,0,0|2,0,1]=4 847 B9R0.5 CCCOCC(=O)CCF 1458a_100000745993_100011217306 [0,1,0,0,0,0|2,0,1]=4 848 B9R0.5 CCCOCC(=O)CCO 1458a_100000745993_100000211926 [0,1,0,0,0,0|2,0,1]=4 849 B9R0.5 CCCOCC(=O)NCC 11a_100015525214_100000745993 [0,1,0,0,0,0|2,0,1]=4 850 B9R0.5 CCCOCC(=O)NCC 240690a_100015525214_100000745993 [0,1,0,0,0,0|2,0,1]=4 851 B9R0.5 CCCOCC(=O)NCC 34a_100000210258_100000183381 [0,1,0,0,0,0|2,0,1]=4 852 B9R0.5 CCCOCC(=O)NCC 527a_100015525214_100000745993 [0,1,0,0,0,0|2,0,1]=4 853 B9R0.5 CCCOCC(=O)NCO 34a_100000210258_100000185155 [0,1,0,0,0,0|2,0,1]=4 854 B9R0.5 CCCOCC(=O)NNC 22a_100016993582_100000745993 [0,1,0,0,0,0|2,0,1]=4 855 B9R0.5 CCCOCC(=O)OCC 34a_100000210258_100000188475 [0,1,0,0,0,0|1,0,1]=3 856 B9R0.5 CCCSCC(=O)CCC 1458a_100000217233_100000210303 [0,1,0,0,0,0|2,0,1]=4 857 B9R0.5 CCCSCC(=O)CCC 62a_100000210303_100000747444 [0,1,0,0,0,0|2,0,1]=4 858 B9R0.5 CCCSCC(=O)CCC 62a_100000747444_100000210303 [0,1,0,0,0,0|2,0,1]=4 859 B9R0.5 CCCSCC(=O)CCF 1458a_100000217233_100011217306 [0,1,0,0,0,0|2,0,1]=4 860 B9R0.5 CCCSCC(=O)CCO 1458a_100000217233_100000211926 [0,1,0,0,0,0|2,0,1]=4 861 B9R0.5 CCCSCC(=O)NCC 11a_100015525214_100000217233 [0,1,0,0,0,0|2,0,1]=4 862 B9R0.5 CCCSCC(=O)NCC 240690a_100015525214_100000217233 [0,1,0,0,0,0|2,0,1]=4 863 B9R0.5 CCCSCC(=O)NCC 527a_100015525214_100000217233 [0,1,0,0,0,0|2,0,1]=4 864 B9R0.5 CCCSCC(=O)NCC 62a_100000183381_100000210303 [0,1,0,0,0,0|2,0,1]=4 865 B9R0.5 CCCSCC(=O)NCC 62a_100000210303_100000183381 [0,1,0,0,0,0|2,0,1]=4 866 B9R0.5 CCCSCC(=O)NCO 62a_100000185155_100000210303 [0,1,0,0,0,0|2,0,1]=4 867 B9R0.5 CCCSCC(=O)NCO 62a_100000210303_100000185155 [0,1,0,0,0,0|2,0,1]=4 868 B9R0.5 CCCSCC(=O)NNC 22a_100016993582_100000217233 [0,1,0,0,0,0|2,0,1]=4 869 B9R0.5 CCCSCC(=O)OCC 62a_100000188475_100000210303 [0,1,0,0,0,0|1,0,1]=3 870 B9R0.5 CCCSCC(=O)OCC 62a_100000210303_100000188475 [0,1,0,0,0,0|1,0,1]=3 871 B9R0.5 CCNC(=O)C=CCOC 11a_100015525214_100016285016 [0,1,0,0,0,0|2,0,0]=3 872 B9R0.5 CCNC(=O)C=CCOC 240690a_100015525214_100016285016 [0,1,0,0,0,0|2,0,0]=3 873 B9R0.5 CCNC(=O)C=COCC 11a_100015525214_100016266692 [0,1,0,0,0,0|2,0,0]=3 874 B9R0.5 CCNC(=O)C=COCC 240690a_100015525214_100016266692 [0,1,0,0,0,0|2,0,0]=3 875 B9R0.5 CCNCCC(=O)OCC 2230a_100015525214_100011206558 [0,1,0,0,0,0|1,0,2]=4 876 B9R0.5 CCNN=CC(=O)OCC 4a_100000756455_100000742314 [0,1,0,0,0,0|2,0,0]=3 877 B9R0.5 CCOC(=O)/C=C/CNC 2230a_106832991635_100016267167 [0,1,0,0,0,0|1,0,0]=2 878 B9R0.5 CCOC(=O)/C=C/CNC 34a_100102657272_100016267167 [0,1,0,0,0,0|1,0,0]=2 879 B9R0.5 CCOC(=O)/C=C/CNC 7a_106832991635_100016267167 [0,1,0,0,0,0|1,0,0]=2 880 B9R0.5 CCOC(=O)/C=C/COC 34a_100138415774_100016267167 [0,1,0,0,0,0|1,0,0]=2 881 B9R0.5 CCOC(=O)/C=C/CSC 62a_100016267167_200000210301 [0,1,0,0,0,0|1,0,0]=2 882 B9R0.5 CCOC(=O)/C=C/CSC 62a_200000210301_100016267167 [0,1,0,0,0,0|1,0,0]=2 883 B9R0.5 CCOC(=O)/C=C/CS[13CH3] 62a_100016267167_200025704644 [0,1,0,0,0,0|1,0,0]=2 884 B9R0.5 CCOC(=O)/C=C/CS[13CH3] 62a_200025704644_100016267167 [0,1,0,0,0,0|1,0,0]=2 885 B9R0.5 CCOC(=O)CCCNC 2230a_106832991635_100009991533 [0,1,0,0,0,0|1,0,2]=4 886 B9R0.5 CCOC(=O)CCCNC 34a_100102657272_100009991533 [0,1,0,0,0,0|1,0,2]=4 887 B9R0.5 CCOC(=O)CCCNC 7a_106832991635_100011215271 [0,1,0,0,0,0|1,0,2]=4 888 B9R0.5 CCOC(=O)CCCOC 34a_100138415774_100009991533 [0,1,0,0,0,0|1,0,2]=4 889 B9R0.5 CCOC(=O)CCCOC 7a_100012001163_200000210301 [0,1,0,0,0,0|1,0,2]=4 890 B9R0.5 CCOC(=O)CCCO[13CH3] 7a_100012001163_200025704644 [0,1,0,0,0,0|1,0,2]=4 891 B9R0.5 CCOC(=O)CCCSC 62a_100009991533_200000210301 [0,1,0,0,0,0|1,0,2]=4 892 B9R0.5 CCOC(=O)CCCSC 62a_200000210301_100009991533 [0,1,0,0,0,0|1,0,2]=4 893 B9R0.5 CCOC(=O)CCCS[13CH3] 62a_100009991533_200025704644 [0,1,0,0,0,0|1,0,2]=4 894 B9R0.5 CCOC(=O)CCCS[13CH3] 62a_200025704644_100009991533 [0,1,0,0,0,0|1,0,2]=4 895 B9R0.5 CCOC(=O)CCSCC 62a_100000210202_100000765890 [0,1,0,0,0,0|1,0,2]=4 896 B9R0.5 CCOC(=O)CCSCC 62a_100000765890_100000210202 [0,1,0,0,0,0|1,0,2]=4 897 B9R0.5 CCOC(=O)CNCCF 34a_100000724931_100000188475 [0,1,0,0,0,0|2,0,1]=4 898 B9R0.5 CCOC(=O)CNCCO 2230a_100016997473_100000188475 [0,1,0,0,0,0|2,0,1]=4 899 B9R0.5 CCOC(=O)CNCCO 34a_100016990907_100000188475 [0,1,0,0,0,0|2,0,1]=4 900 B9R0.5 CCOC(=O)COCCBr 34a_100000211926_100000188475 [0,1,0,0,0,0|2,0,1]=4 901 B9R0.5 CCOC(=O)COCCN 34a_100000210304_100000188475 [0,1,0,0,0,0|2,0,1]=4 902 B9R0.5 CCOC(=O)CSCCF 62a_100000188475_100011217306 [0,1,0,0,0,0|2,0,1]=4 903 B9R0.5 CCOC(=O)CSCCF 62a_100011217306_100000188475 [0,1,0,0,0,0|2,0,1]=4 904 B9R0.5 CCOC(=O)CSCCO 62a_100000188475_100000211926 [0,1,0,0,0,0|2,0,1]=4 905 B9R0.5 CCOC(=O)CSCCO 62a_100000211926_100000188475 [0,1,0,0,0,0|2,0,1]=4 906 B9R0.5 CCOC(=O)CSCOC 62a_100000188475_100000766300 [0,1,0,0,0,0|2,0,1]=4 907 B9R0.5 CCOC(=O)CSCOC 62a_100000766300_100000188475 [0,1,0,0,0,0|2,0,1]=4 908 B9R0.5 CCOC(=O)CSCSC 62a_100000188475_100011218213 [0,1,0,0,0,0|2,0,1]=4 909 B9R0.5 CCOC(=O)CSCSC 62a_100011218213_100000188475 [0,1,0,0,0,0|2,0,1]=4 910 B9R0.5 CCOC(=O)NCCNC 7a_106832991635_200011445536 [0,1,0,0,0,0|2,0,1]=4 911 B9R0.5 CCOC(=O)NCCOC 34a_100000158857_200000210301 [0,1,0,0,0,0|2,0,1]=4 912 B9R0.5 CCOC(=O)NCCO[13CH3] 34a_100000158857_200025704644 [0,1,0,0,0,0|2,0,1]=4 913 B9R0.5 CCOC(=O)NCCSC 62a_200000210301_200011445536 [0,1,0,0,0,0|2,0,1]=4 914 B9R0.5 CCOC(=O)NCCS[13CH3] 62a_200025704644_200011445536 [0,1,0,0,0,0|2,0,1]=4 915 B9R0.5 CCOC(=O)OCSCC 62a_100000210202_100000075025 [0,1,0,0,0,0|2,0,1]=4 916 B9R0.5 CCOC=CC(=O)CC#N 1458a_100016266692_100011214920 [0,1,0,0,0,0|2,0,1]=4 917 B9R0.5 CCOC=CC(=O)CCF 1458a_100016266692_100011217306 [0,1,0,0,0,0|2,0,0]=3 918 B9R0.5 CCOC=CC(=O)CCO 1458a_100016266692_100000211926 [0,1,0,0,0,0|2,0,0]=3 919 B9R0.5 CCOC=CC(=O)NNC 22a_100016993582_100016266692 [0,1,0,0,0,0|2,0,0]=3 920 B9R0.5 CCOCCC(=O)COC 1458a_100000210968_100011215890 [0,1,0,0,0,0|1,0,2]=4 921 B9R0.5 CCOCCC(=O)OCC 34a_100121572206_100000765890 [0,1,0,0,0,0|1,0,2]=4 922 B9R0.5 CCSCCC(=O)COC 1458a_100000210968_100000757381 [0,1,0,0,0,0|1,0,2]=4 923 B9R0.5 CNNC(=O)C=CCOC 22a_100016993582_100016285016 [0,1,0,0,0,0|2,0,0]=3 924 B9R0.5 COCC(=O)CCCCF 1458a_100000210968_100000729493 [0,1,0,0,0,0|1,0,2]=4 925 B9R0.5 COCC(=O)CCCCO 1458a_100000210968_100000210776 [0,1,0,0,0,0|1,0,2]=4 926 B9R0.5 COCC(=O)NCCCF 11a_100015189416_100000210968 [0,1,0,0,0,0|2,0,1]=4 927 B9R0.5 COCC(=O)NCCCF 1626a_100015189416_100000210968 [0,1,0,0,0,0|2,0,1]=4 928 B9R0.5 COCC(=O)NCCCF 240690a_100015189416_100000210968 [0,1,0,0,0,0|2,0,1]=4 929 B9R0.5 COCC(=O)NCCCF 527a_100015189416_100000210968 [0,1,0,0,0,0|2,0,1]=4 930 B9R0.5 COCC(=O)NCCCO 240690a_100000182051_100000210968 [0,1,0,0,0,0|2,0,1]=4 931 B9R0.5 COCC(=O)NCCCO 527a_100000182051_100000210968 [0,1,0,0,0,0|2,0,1]=4 932 B9R0.5 COCC(=O)NCCSC 11a_100020590264_100000210968 [0,1,0,0,0,0|2,0,1]=4 933 B9R0.5 COCC(=O)NCCSC 1626a_100020590264_100000210968 [0,1,0,0,0,0|2,0,1]=4 934 B9R0.5 COCC(=O)NCCSC 240690a_100020590264_100000210968 [0,1,0,0,0,0|2,0,1]=4 935 B9R0.5 COCC(=O)NCCSC 527a_100020590264_100000210968 [0,1,0,0,0,0|2,0,1]=4 936 B9R0.5 COCC(=O)NNCCO 22a_100000210001_100000210968 [0,1,0,0,0,0|3,0,0]=4 937 B9R0.5 COCC=CC(=O)CC#N 1458a_100016285016_100011214920 [0,1,0,0,0,0|2,0,1]=4 938 B9R0.5 COCC=CC(=O)CCF 1458a_100016285016_100011217306 [0,1,0,0,0,0|2,0,0]=3 939 B9R0.5 COCC=CC(=O)CCO 1458a_100016285016_100000211926 [0,1,0,0,0,0|2,0,0]=3 940 B9R0.5 COCCCC(=O)COC 1458a_100000210968_100000740836 [0,1,0,0,0,0|1,0,2]=4 941 B9R0.5 COCCNC(=O)COC 1626a_100000209980_100000210968 [0,1,0,0,0,0|2,0,1]=4 942 B9R0.5 COCCNC(=O)COC 240690a_100000209980_100000210968 [0,1,0,0,0,0|2,0,1]=4 943 B9R0.5 COCCNC(=O)COC 34a_100138415774_100000183275 [0,1,0,0,0,0|2,0,1]=4 944 B9R0.5 COCCNC(=O)COC 527a_100000209980_100000210968 [0,1,0,0,0,0|2,0,1]=4 945 B9R0.5 COCCOC(=O)COC 34a_100138415774_200000040189 [0,1,0,0,0,0|2,0,1]=4 946 B9R0.8 C#CCNC(=O)C(=O)OC 11a_100000212058_100000024059 [0,1,0,0,0,0|1,0,2]=4 947 B9R0.8 C#CCNC(=O)C(=O)OC 1626a_100000212058_100000024059 [0,1,0,0,0,0|1,0,2]=4 948 B9R0.8 C#CCNC(=O)C(=O)OC 240690a_100000212058_100000024059 [0,1,0,0,0,0|1,0,2]=4 949 B9R0.8 C#CCNC(=O)C(=O)OC 527a_100000212058_100000024059 [0,1,0,0,0,0|1,0,2]=4 950 B9R0.8 C/C=C(\C)/C(=O)CCCC 1458a_100020587367_100000210211 [0,1,0,0,0,0|2,0,1]=4 951 B9R0.8 C/C=C(\C)/C(=O)NCCC 11a_100020643023_100020587367 [0,1,0,0,0,0|3,0,0]=4 952 B9R0.8 C/C=C(\C)/C(=O)NCCC 1626a_100020643023_100020587367 [0,1,0,0,0,0|3,0,0]=4 953 B9R0.8 C=C(COCC)C(=O)OC 34a_100121572206_100009813391 [0,1,0,0,0,0|1,0,1]=3 954 B9R0.8 C=C(CSCC)C(=O)OC 62a_100000210202_100009813391 [0,1,0,0,0,0|1,0,1]=3 955 B9R0.8 C=C(CSCC)C(=O)OC 62a_100009813391_100000210202 [0,1,0,0,0,0|1,0,1]=3 956 B9R0.8 C=C(CSCF)C(=O)OC 62a_100009813391_100015361967 [0,1,0,0,0,0|2,0,1]=4 957 B9R0.8 C=C(CSCF)C(=O)OC 62a_100015361967_100009813391 [0,1,0,0,0,0|2,0,1]=4 958 B9R0.8 C=CCNC(=O)C(=O)OC 1626a_100020586998_100000024059 [0,1,0,0,0,0|1,0,2]=4 959 B9R0.8 C=CCNC(=O)C(=O)OC 240690a_100020586998_100000024059 [0,1,0,0,0,0|1,0,2]=4 960 B9R0.8 C=CCNC(=O)C(=O)OC 527a_100020586998_100000024059 [0,1,0,0,0,0|1,0,2]=4 961 B9R0.8 CCC/C=C(\C)/C(=O)CC 1458a_200020648666_100000210202 [0,1,0,0,0,0|1,0,0]=2 962 B9R0.8 CCC/C=C(\C)/C(=O)CF 1458a_200020648666_100015361967 [0,1,0,0,0,0|2,0,0]=3 963 B9R0.8 CCC/C=C(\C)/C(=O)NC 11a_106832991635_200020648666 [0,1,0,0,0,0|1,0,0]=2 964 B9R0.8 CCC/C=C(\C)/C(=O)NC 1626a_100102657272_200020648666 [0,1,0,0,0,0|1,0,0]=2 965 B9R0.8 CCC/C=C(\C)/C(=O)NC 240690a_100102657272_200020648666 [0,1,0,0,0,0|1,0,0]=2 966 B9R0.8 CCCCC(=O)C(=O)NC 1458a_100011218921_100000210211 [0,1,0,0,0,0|1,0,1]=3 967 B9R0.8 CCCCC(=O)C(C)OC 1458a_100000743197_100000210211 [0,1,0,0,0,0|1,0,2]=4 968 B9R0.8 CCCCC(C)C(=O)CC 1458a_100000210414_200011215066 [0,1,0,0,0,0|1,0,2]=4 969 B9R0.8 CCCCC(C)C(=O)CC 1458a_100000725509_100000210202 [0,1,0,0,0,0|1,0,2]=4 970 B9R0.8 CCCCC(C)C(=O)NC 11a_106832991635_100000725509 [0,1,0,0,0,0|1,0,2]=4 971 B9R0.8 CCCCC(C)C(=O)NC 1626a_100102657272_100000725509 [0,1,0,0,0,0|1,0,2]=4 972 B9R0.8 CCCCC(C)C(=O)NC 240690a_100102657272_100000725509 [0,1,0,0,0,0|1,0,2]=4 973 B9R0.8 CCCCC(C)C(=O)NC 527a_100102657272_100000725509 [0,1,0,0,0,0|1,0,2]=4 974 B9R0.8 CCCCC(O)C(=O)CC 1458a_100000720857_100000210202 [0,1,0,0,0,0|1,0,2]=4 975 B9R0.8 CCCCC(O)C(=O)NC 240690a_100102657272_100000720857 [0,1,0,0,0,0|1,0,2]=4 976 B9R0.8 CCCCC(O)C(=O)NC 527a_100102657272_100000720857 [0,1,0,0,0,0|1,0,2]=4 977 B9R0.8 CCCCN(C)C(=O)CC 11a_100000207549_100000210414 [0,1,0,0,0,0|2,0,1]=4 978 B9R0.8 CCCCN(C)C(=O)CC 1626a_100000207549_100000210414 [0,1,0,0,0,0|2,0,1]=4 979 B9R0.8 CCCCN(C)C(=O)CC 240690a_100000207549_100000210414 [0,1,0,0,0,0|2,0,1]=4 980 B9R0.8 CCCCN(C)C(=O)CC 527a_100000207549_100000210414 [0,1,0,0,0,0|2,0,1]=4 981 B9R0.8 CCCCN(C)C(=O)NC 2708a_100102657272_100000207549 [0,1,0,0,0,0|2,0,1]=4 982 B9R0.8 CCCCN(C)C(=O)NC 273464a_100102657272_100000207549 [0,1,0,0,0,0|2,0,1]=4 983 B9R0.8 CCCNC(=O)C(=O)CC 1458a_200011297150_100000210202 [0,1,0,0,0,0|2,0,0]=3 984 B9R0.8 CCCNC(=O)C(=O)CF 1458a_200011297150_100015361967 [0,1,0,0,0,0|3,0,0]=4 985 B9R0.8 CCCNC(=O)C(=O)NC 1626a_100020643023_100011218921 [0,1,0,0,0,0|2,0,0]=3 986 B9R0.8 CCCNC(=O)C(=O)NC 1626a_100102657272_200011297150 [0,1,0,0,0,0|2,0,0]=3 987 B9R0.8 CCCNC(=O)C(=O)NC 240690a_100020643023_100011218921 [0,1,0,0,0,0|2,0,0]=3 988 B9R0.8 CCCNC(=O)C(=O)NC 240690a_100102657272_200011297150 [0,1,0,0,0,0|2,0,0]=3 989 B9R0.8 CCCNC(=O)C(=O)NC 527a_100020643023_100011218921 [0,1,0,0,0,0|2,0,0]=3 990 B9R0.8 CCCNC(=O)C(=O)NC 527a_100102657272_200011297150 [0,1,0,0,0,0|2,0,0]=3 991 B9R0.8 CCCNC(=O)C(=O)OC 11a_100020643023_100000024059 [0,1,0,0,0,0|1,0,0]=2 992 B9R0.8 CCCNC(=O)C(=O)OC 1626a_100020643023_100000024059 [0,1,0,0,0,0|1,0,0]=2 993 B9R0.8 CCCNC(=O)C(=O)OC 240690a_100020643023_100000024059 [0,1,0,0,0,0|1,0,0]=2 994 B9R0.8 CCCNC(=O)C(=O)OC 527a_100020643023_100000024059 [0,1,0,0,0,0|1,0,0]=2 995 B9R0.8 CCCNC(=O)C(C)OC 11a_100020643023_100000743197 [0,1,0,0,0,0|2,0,1]=4 996 B9R0.8 CCCNC(=O)C(C)OC 1626a_100020643023_100000743197 [0,1,0,0,0,0|2,0,1]=4 997 B9R0.8 CCCNC(=O)C(C)OC 240690a_100020643023_100000743197 [0,1,0,0,0,0|2,0,1]=4 998 B9R0.8 CCCNC(=O)C(C)OC 34a_100138415774_100000230305 [0,1,0,0,0,0|2,0,1]=4 999 B9R0.8 CCCNC(=O)C(C)OC 527a_100020643023_100000743197 [0,1,0,0,0,0|2,0,1]=4 1000 B9R0.8 CCCN[C@H](C)C(=O)NC 2230a_100000684985_100000210303 [0,1,0,0,0,0|2,0,1]=4 1001 B9R0.8 CCCN[C@H](C)C(=O)NC 34a_100000684985_100000210303 [0,1,0,0,0,0|2,0,1]=4 1002 B9R0.8 CCCOC(=O)C(C)OC 34a_100000037348_200000210301 [0,1,0,0,0,0|2,0,1]=4 1003 B9R0.8 CCCOC(=O)C(C)OC 34a_100138415774_100000760410 [0,1,0,0,0,0|2,0,1]=4 1004 B9R0.8 CCCOC(=O)C(C)OC 7a_100000037348_200000210301 [0,1,0,0,0,0|2,0,1]=4 1005 B9R0.8 CCCOC(=O)C(C)O[13CH3] 34a_100000037348_200025704644 [0,1,0,0,0,0|2,0,1]=4 1006 B9R0.8 CCCOC(=O)C(C)O[13CH3] 7a_100000037348_200025704644 [0,1,0,0,0,0|2,0,1]=4 1007 B9R0.8 CCCOC(C)C(=O)NC 34a_100000210258_100000731044 [0,1,0,0,0,0|2,0,1]=4 1008 B9R0.8 CCCOC(C)C(=O)OC 34a_100000210258_100000211248 [0,1,0,0,0,0|1,0,1]=3 1009 B9R0.8 CCCOC(C)C(=O)OC 34a_100011215400_100000210303 [0,1,0,0,0,0|1,0,1]=3 1010 B9R0.8 CCCOC(F)C(=O)NC 34a_100000210258_100009813575 [0,1,0,0,0,0|2,0,1]=4 1011 B9R0.8 CCCSC(C)C(=O)CC 62a_100000210303_100000742827 [0,1,0,0,0,0|2,0,1]=4 1012 B9R0.8 CCCSC(C)C(=O)CC 62a_100000742827_100000210303 [0,1,0,0,0,0|2,0,1]=4 1013 B9R0.8 CCCSC(C)C(=O)NC 62a_100000209862_100000210303 [0,1,0,0,0,0|2,0,1]=4 1014 B9R0.8 CCCSC(C)C(=O)NC 62a_100000210303_100000731044 [0,1,0,0,0,0|2,0,1]=4 1015 B9R0.8 CCCSC(C)C(=O)OC 62a_100000210303_100000211248 [0,1,0,0,0,0|1,0,1]=3 1016 B9R0.8 CCCSC(C)C(=O)OC 62a_100000211248_100000210303 [0,1,0,0,0,0|1,0,1]=3 1017 B9R0.8 CCCSC(F)C(=O)NC 62a_100000210303_100009813575 [0,1,0,0,0,0|2,0,1]=4 1018 B9R0.8 CCCSC(F)C(=O)NC 62a_100009813575_100000210303 [0,1,0,0,0,0|2,0,1]=4 1019 B9R0.8 CCNN=C(C)C(=O)OC 4a_100000756455_100000211753 [0,1,0,0,0,0|2,0,0]=3 1020 B9R0.8 CCNNC(=O)C(=O)NC 22a_100000756455_100011218921 [0,1,0,0,0,0|3,0,0]=4 1021 B9R0.8 CCOCC(=O)C(=O)OC 34a_100121572206_100011610305 [0,1,0,0,0,0|1,0,1]=3 1022 B9R0.8 CCOCC(C)C(=O)OC 34a_100000749362_100000210202 [0,1,0,0,0,0|1,0,2]=4 1023 B9R0.8 CCOCC(C)C(=O)OC 34a_100121572206_100000698445 [0,1,0,0,0,0|1,0,2]=4 1024 B9R0.8 CCOCC(C)C(=O)OC 7a_100000749362_100000210202 [0,1,0,0,0,0|1,0,2]=4 1025 B9R0.8 CCOCC(F)C(=O)OC 34a_200009849844_100000210202 [0,1,0,0,0,0|1,0,2]=4 1026 B9R0.8 CCOC[C@@H](N)C(=O)OC 34a_100000003586_100000210202 [0,1,0,0,0,0|1,0,2]=4 1027 B9R0.8 CCSCC(=O)C(=O)OC 62a_100000210202_100011610305 [0,1,0,0,0,0|1,0,1]=3 1028 B9R0.8 CCSCC(=O)C(=O)OC 62a_100011610305_100000210202 [0,1,0,0,0,0|1,0,1]=3 1029 B9R0.8 CCSCC(C)C(=O)OC 62a_100000210202_100000698445 [0,1,0,0,0,0|1,0,2]=4 1030 B9R0.8 CCSCC(C)C(=O)OC 62a_100000698445_100000210202 [0,1,0,0,0,0|1,0,2]=4 1031 B9R0.8 CNC(=O)C(=O)CCCF 1458a_100011218921_100011934791 [0,1,0,0,0,0|2,0,1]=4 1032 B9R0.8 CNC(=O)C(=O)CCCO 1458a_100011218921_100011215043 [0,1,0,0,0,0|2,0,1]=4 1033 B9R0.8 CNC(=O)C(=O)CCOC 1458a_100011218921_100000233755 [0,1,0,0,0,0|2,0,1]=4 1034 B9R0.8 CNC(=O)C(=O)CCSC 1458a_100011218921_100000751147 [0,1,0,0,0,0|2,0,1]=4 1035 B9R0.8 CNC(=O)C(=O)NCCF 1626a_100000724931_100011218921 [0,1,0,0,0,0|3,0,0]=4 1036 B9R0.8 CNC(=O)C(=O)NCCF 240690a_100000724931_100011218921 [0,1,0,0,0,0|3,0,0]=4 1037 B9R0.8 CNC(=O)C(=O)NCCF 527a_100000724931_100011218921 [0,1,0,0,0,0|3,0,0]=4 1038 B9R0.8 CNC(=O)C(=O)NCCO 240690a_100000210304_100011218921 [0,1,0,0,0,0|3,0,0]=4 1039 B9R0.8 CNC(=O)C(=O)NCCO 527a_100000210304_100011218921 [0,1,0,0,0,0|3,0,0]=4 1040 B9R0.8 CNCCC(C)C(=O)OC 2230a_106832991635_100000034942 [0,1,0,0,0,0|1,0,2]=4 1041 B9R0.8 CNCCC(C)C(=O)OC 34a_100102657272_100000034942 [0,1,0,0,0,0|1,0,2]=4 1042 B9R0.8 CNCCC(C)C(=O)OC 7a_106832991635_100000034942 [0,1,0,0,0,0|1,0,2]=4 1043 B9R0.8 COC(=O)C(=O)CSCF 62a_100011610305_100015361967 [0,1,0,0,0,0|2,0,1]=4 1044 B9R0.8 COC(=O)C(=O)CSCF 62a_100015361967_100011610305 [0,1,0,0,0,0|2,0,1]=4 1045 B9R0.8 COC(=O)C(=O)NCC#N 1626a_100000734998_100000024059 [0,1,0,0,0,0|2,0,1]=4 1046 B9R0.8 COC(=O)C(=O)NCC#N 527a_100000734998_100000024059 [0,1,0,0,0,0|2,0,1]=4 1047 B9R0.8 COC(=O)C(=O)NCCF 11a_100000724931_100000024059 [0,1,0,0,0,0|2,0,0]=3 1048 B9R0.8 COC(=O)C(=O)NCCF 1626a_100000724931_100000024059 [0,1,0,0,0,0|2,0,0]=3 1049 B9R0.8 COC(=O)C(=O)NCCF 240690a_100000724931_100000024059 [0,1,0,0,0,0|2,0,0]=3 1050 B9R0.8 COC(=O)C(=O)NCCF 527a_100000724931_100000024059 [0,1,0,0,0,0|2,0,0]=3 1051 B9R0.8 COC(=O)C(=O)NCCO 240690a_100000210304_100000024059 [0,1,0,0,0,0|2,0,0]=3 1052 B9R0.8 COC(=O)C(=O)NCCO 527a_100000210304_100000024059 [0,1,0,0,0,0|2,0,0]=3 1053 B9R0.8 COC(=O)C(C)CCSC 62a_100000034942_200000210301 [0,1,0,0,0,0|1,0,2]=4 1054 B9R0.8 COC(=O)C(C)CCSC 62a_200000210301_100000034942 [0,1,0,0,0,0|1,0,2]=4 1055 B9R0.8 COC(=O)C(C)CCS[13CH3] 62a_100000034942_200025704644 [0,1,0,0,0,0|1,0,2]=4 1056 B9R0.8 COC(=O)C(C)CCS[13CH3] 62a_200025704644_100000034942 [0,1,0,0,0,0|1,0,2]=4 1057 B9R0.8 COC(=O)C(C)NCCF 34a_100000724931_100000211248 [0,1,0,0,0,0|2,0,1]=4 1058 B9R0.8 COC(=O)C(C)NCCO 2230a_100016997473_100000211248 [0,1,0,0,0,0|2,0,1]=4 1059 B9R0.8 COC(=O)C(C)NCCO 34a_100016990907_100000211248 [0,1,0,0,0,0|2,0,1]=4 1060 B9R0.8 COC(=O)C(C)OCCBr 34a_100000211926_100000211248 [0,1,0,0,0,0|2,0,1]=4 1061 B9R0.8 COC(=O)C(C)OCCF 34a_100011215400_100011217306 [0,1,0,0,0,0|2,0,1]=4 1062 B9R0.8 COC(=O)C(C)OCCN 34a_100000210304_100000211248 [0,1,0,0,0,0|2,0,1]=4 1063 B9R0.8 COC(=O)C(C)OCCO 34a_100011215400_100000211926 [0,1,0,0,0,0|2,0,1]=4 1064 B9R0.8 COC(=O)C(C)OCSC 34a_100011215400_100011218213 [0,1,0,0,0,0|2,0,1]=4 1065 B9R0.8 COC(=O)C(C)SCCF 62a_100000211248_100011217306 [0,1,0,0,0,0|2,0,1]=4 1066 B9R0.8 COC(=O)C(C)SCCF 62a_100011217306_100000211248 [0,1,0,0,0,0|2,0,1]=4 1067 B9R0.8 COC(=O)C(C)SCCO 62a_100000211248_100000211926 [0,1,0,0,0,0|2,0,1]=4 1068 B9R0.8 COC(=O)C(C)SCCO 62a_100000211926_100000211248 [0,1,0,0,0,0|2,0,1]=4 1069 B9R0.8 COC(=O)C(C)SCSC 62a_100000211248_100011218213 [0,1,0,0,0,0|2,0,1]=4 1070 B9R0.8 COC(=O)C(C)SCSC 62a_100011218213_100000211248 [0,1,0,0,0,0|2,0,1]=4 1071 B9R0.8 COCCC(C)C(=O)OC 34a_100138415774_100000034942 [0,1,0,0,0,0|1,0,2]=4 1072 B9R0.8 COCSC(C)C(=O)OC 62a_100000211248_100000766300 [0,1,0,0,0,0|2,0,1]=4 1073 B9R0.8 COCSC(C)C(=O)OC 62a_100000766300_100000211248 [0,1,0,0,0,0|2,0,1]=4 1074 B9R0.24 CC=C(C)C=CC(=O)CC 1458a_100000692105_100000210202 [0,1,0,0,0,0|1,0,2]=4 1075 B9R0.24 CC=C(C)C=CC(=O)NC 1626a_100102657272_100000692105 [0,1,0,0,0,0|1,0,2]=4 1076 B9R0.24 CCC(=O)C=CC(=O)NC 1458a_100016259477_100000210202 [0,1,0,0,0,0|1,0,1]=3 1077 B9R0.24 CCC(=O)CCC(=O)OC 1458a_100000187943_100000210202 [0,1,0,0,0,0|0,0,3]=4 1078 B9R0.24 CCC(=O)CCC(C)CC 1458a_100000701222_100000210202 [0,1,0,0,0,0|1,0,2]=4 1079 B9R0.24 CCC(=O)CNC(=O)OC 1458a_100000215747_100000210202 [0,1,0,0,0,0|1,0,2]=4 1080 B9R0.24 CCC(=O)COC(C)CC 34a_100000725409_100011215416 [0,1,0,0,0,0|2,0,1]=4 1081 B9R0.24 CCC(=O)COC(C)CC 7a_100000210228_100000747405 [0,1,0,0,0,0|2,0,1]=4 1082 B9R0.24 CCC(=O)CSC(C)CC 62a_100000747405_100000758301 [0,1,0,0,0,0|2,0,1]=4 1083 B9R0.24 CCC(=O)CSC(C)CC 62a_100000758301_100000747405 [0,1,0,0,0,0|2,0,1]=4 1084 B9R0.24 CCC(=O)NCC(=O)OC 188690a_100000185156_100000210414 [0,1,0,0,0,0|1,0,2]=4 1085 B9R0.24 CCC(=O)NCC(C)CC 11a_100020588543_100000210414 [0,1,0,0,0,0|2,0,1]=4 1086 B9R0.24 CCC(=O)NCC(C)CC 1626a_100020588543_100000210414 [0,1,0,0,0,0|2,0,1]=4 1087 B9R0.24 CCC(=O)NCC(C)CC 240690a_100020588543_100000210414 [0,1,0,0,0,0|2,0,1]=4 1088 B9R0.24 CCC(=O)NCC(C)CC 527a_100020588543_100000210414 [0,1,0,0,0,0|2,0,1]=4 1089 B9R0.24 CCC(=O)NCC(O)CC 11a_100011218483_100000210414 [0,1,0,0,0,0|2,0,1]=4 1090 B9R0.24 CCC(=O)NCC(O)CC 240690a_100011218483_100000210414 [0,1,0,0,0,0|2,0,1]=4 1091 B9R0.24 CCC(=O)NCC(O)CC 527a_100011218483_100000210414 [0,1,0,0,0,0|2,0,1]=4 1092 B9R0.24 CCC(=O)NNC(C)CC 22a_100000718999_100000210414 [0,1,0,0,0,0|3,0,0]=4 1093 B9R0.24 CCC(C)CCC(=O)NC 11a_106832991635_100000701222 [0,1,0,0,0,0|1,0,2]=4 1094 B9R0.24 CCC(C)CCC(=O)NC 1626a_100102657272_100000701222 [0,1,0,0,0,0|1,0,2]=4 1095 B9R0.24 CCC(C)CCC(=O)NC 240690a_100102657272_100000701222 [0,1,0,0,0,0|1,0,2]=4 1096 B9R0.24 CCC(C)CCC(=O)NC 527a_100102657272_100000701222 [0,1,0,0,0,0|1,0,2]=4 1097 B9R0.24 CCC(C)CNC(=O)NC 2708a_100020588543_106832991635 [0,1,0,0,0,0|2,0,1]=4 1098 B9R0.24 CCC(C)CNC(=O)NC 2708a_100102657272_100020588543 [0,1,0,0,0,0|2,0,1]=4 1099 B9R0.24 CCC(C)CNC(=O)NC 273464a_100020588543_100102657272 [0,1,0,0,0,0|2,0,1]=4 1100 B9R0.24 CCC(C)CNC(=O)NC 273464a_100102657272_100020588543 [0,1,0,0,0,0|2,0,1]=4 1101 B9R0.24 CCC(C)CNC(=O)NC 512a_100020588543_100102657272 [0,1,0,0,0,0|2,0,1]=4 1102 B9R0.24 CCC(C)CNC(=O)NC 512a_106832991638_100020588543 [0,1,0,0,0,0|2,0,1]=4 1103 B9R0.24 CCC(C)NCC(=O)NC 2230a_100000209981_100000183359 [0,1,0,0,0,0|2,0,1]=4 1104 B9R0.24 CCC(C)NCC(=O)NC 2230a_100000693194_100000758301 [0,1,0,0,0,0|2,0,1]=4 1105 B9R0.24 CCC(C)NCC(=O)OC 2230a_100000209981_100000747449 [0,1,0,0,0,0|1,0,1]=3 1106 B9R0.24 CCC(C)NNC(=O)NC 273464a_100102657272_100000718999 [0,1,0,0,0,0|3,0,0]=4 1107 B9R0.24 CCC(C)NNC(=O)NC 512a_100000718999_100102657272 [0,1,0,0,0,0|3,0,0]=4 1108 B9R0.24 CCC(C)NNC(=O)NC 512a_106832991638_100000718999 [0,1,0,0,0,0|3,0,0]=4 1109 B9R0.24 CCC(C)OCC(=O)NC 34a_100000750040_100011215416 [0,1,0,0,0,0|2,0,1]=4 1110 B9R0.24 CCC(C)OCC(=O)NC 7a_100000210228_100000183359 [0,1,0,0,0,0|2,0,1]=4 1111 B9R0.24 CCC(C)OCC(=O)OC 7a_100000210228_100000747449 [0,1,0,0,0,0|1,0,1]=3 1112 B9R0.24 CCC(C)SCC(=O)NC 62a_100000183359_100000758301 [0,1,0,0,0,0|2,0,1]=4 1113 B9R0.24 CCC(C)SCC(=O)NC 62a_100000758301_100000183359 [0,1,0,0,0,0|2,0,1]=4 1114 B9R0.24 CCC(C)SCC(=O)OC 62a_100000747449_100000758301 [0,1,0,0,0,0|1,0,1]=3 1115 B9R0.24 CCC(C)SCC(=O)OC 62a_100000758301_100000747449 [0,1,0,0,0,0|1,0,1]=3 1116 B9R0.24 CCC(O)CCC(=O)NC 1626a_100102657272_203496584001 [0,1,0,0,0,0|1,0,2]=4 1117 B9R0.24 CCC(O)CCC(=O)NC 240690a_100102657272_203496584001 [0,1,0,0,0,0|1,0,2]=4 1118 B9R0.24 CCC(O)CNC(=O)NC 2708a_100102657272_100011218483 [0,1,0,0,0,0|2,0,1]=4 1119 B9R0.24 CCC(O)CNC(=O)NC 273464a_100011218483_100102657272 [0,1,0,0,0,0|2,0,1]=4 1120 B9R0.24 CCC(O)CNC(=O)NC 273464a_100102657272_100011218483 [0,1,0,0,0,0|2,0,1]=4 1121 B9R0.24 CCC(O)CNC(=O)NC 512a_100011218483_100102657272 [0,1,0,0,0,0|2,0,1]=4 1122 B9R0.24 CCN(C)CCC(=O)OC 2230a_100000225621_100000204255 [0,1,0,0,0,0|1,0,2]=4 1123 B9R0.24 CCN(C)CCC(=O)OC 2230a_100000229097_200000210301 [0,1,0,0,0,0|1,0,2]=4 1124 B9R0.24 CCN(C)CCC(=O)OC 269982a_100000225621_100000204255 [0,1,0,0,0,0|1,0,2]=4 1125 B9R0.24 CCN(C)CCC(=O)OC 269982a_100000229097_200000210301 [0,1,0,0,0,0|1,0,2]=4 1126 B9R0.24 CCN(C)CCC(=O)OC 269982a_100025711912_100000204670 [0,1,0,0,0,0|1,0,2]=4 1127 B9R0.24 CCN([13CH3])CCC(=O)OC 2230a_100000229097_200025704644 [0,1,0,0,0,0|1,0,2]=4 1128 B9R0.24 CCN([13CH3])CCC(=O)OC 269982a_100000229097_200025704644 [0,1,0,0,0,0|1,0,2]=4 1129 B9R0.24 CNC(=O)C=CC(=O)CF 1458a_100016259477_100015361967 [0,1,0,0,0,0|2,0,1]=4 1130 B9R0.24 CNC(=O)C=CC(=O)NC 1626a_100102657272_100016259477 [0,1,0,0,0,0|2,0,1]=4 1131 B9R0.24 CNC(=O)C=CC(=O)OC 1626a_100102657272_100016283253 [0,1,0,0,0,0|1,0,1]=3 1132 B9R0.24 COC(=O)CN[C@H](C)CO 2230a_100000737577_100000747449 [0,1,0,0,0,0|2,0,1]=4 1133 B9R0.24 COC(=O)COC(C)CF 34a_100016041109_100000747449 [0,1,0,0,0,0|2,0,1]=4 1134 B9R0.24 COC(=O)COC(C)CF 7a_100016041109_100000747449 [0,1,0,0,0,0|2,0,1]=4 1135 B9R0.24 COC(=O)COC(C)CN 34a_100000210904_100000747449 [0,1,0,0,0,0|2,0,1]=4 1136 B9R0.24 COC(=O)CSC(C)CO 62a_100012180447_100000747449 [0,1,0,0,0,0|2,0,1]=4 1137 B9R0.24 COC(=O)CSC(C)OC 62a_100000747449_100009879195 [0,1,0,0,0,0|2,0,1]=4 1138 B9R0.24 COC(=O)CSC(C)OC 62a_100009879195_100000747449 [0,1,0,0,0,0|2,0,1]=4 1139 B9R0.24 COC(=O)CS[C@H](C)CO 62a_100000747449_100016084084 [0,1,0,0,0,0|2,0,1]=4 1140 B9R0.24 COC(=O)CS[C@H](C)CO 62a_100016084084_100000747449 [0,1,0,0,0,0|2,0,1]=4 1141 B9R0.34 C#CC(=O)CC(=O)CCC 1458a_100000211873_100000747444 [0,1,0,0,0,0|1,0,2]=4 1142 B9R0.34 C#CCC(=O)CC(=O)OC 1458a_100000211351_100000184674 [0,1,0,0,0,0|0,0,3]=4 1143 B9R0.34 C#CCC(=O)CC(=O)OC 1458a_100011220946_100000747449 [0,1,0,0,0,0|0,0,3]=4 1144 B9R0.34 C=C(CCC)CC(=O)CC 1458a_100000138376_100000210202 [0,1,0,0,0,0|1,0,1]=3 1145 B9R0.34 C=C(CCC)CC(=O)CF 1458a_100000138376_100015361967 [0,1,0,0,0,0|2,0,1]=4 1146 B9R0.34 C=C(CCC)CC(=O)NC 11a_106832991635_100000138376 [0,1,0,0,0,0|1,0,1]=3 1147 B9R0.34 C=C(CCC)CC(=O)NC 240690a_100102657272_100000138376 [0,1,0,0,0,0|1,0,1]=3 1148 B9R0.34 C=C(CCC)CC(=O)NC 527a_100102657272_100000138376 [0,1,0,0,0,0|1,0,1]=3 1149 B9R0.34 C=CC(=O)CC(=O)CCC 1458a_100000185746_100000747444 [0,1,0,0,0,0|1,0,2]=4 1150 B9R0.34 C=CCC(=O)CC(=O)OC 1458a_100000210193_100000747449 [0,1,0,0,0,0|0,0,3]=4 1151 B9R0.34 C=CCC(=O)CC(=O)OC 1458a_100000211351_100000210623 [0,1,0,0,0,0|0,0,3]=4 1152 B9R0.34 CC#CC(=O)CC(=O)OC 1458a_100000763181_100000747449 [0,1,0,0,0,0|0,0,3]=4 1153 B9R0.34 CC=CC(=O)CC(=O)OC 1458a_100000210699_100000747449 [0,1,0,0,0,0|0,0,3]=4 1154 B9R0.34 CCC(=CC(=O)CCF)C 1458a_100020758463_100011217306 [0,1,0,0,0,0|3,0,0]=4 1155 B9R0.34 CCC(=CC(=O)CCO)C 1458a_100020758463_100000211926 [0,1,0,0,0,0|3,0,0]=4 1156 B9R0.34 CCC(=O)CC(=O)CCO 1458a_100011216618_100000747405 [0,1,0,0,0,0|2,0,1]=4 1157 B9R0.34 CCC(=O)CC(=O)COC 1458a_100000210968_100000747405 [0,1,0,0,0,0|2,0,1]=4 1158 B9R0.34 CCC(=O)CC(=O)CSC 1458a_100000184570_100000747405 [0,1,0,0,0,0|2,0,1]=4 1159 B9R0.34 CCCC(=CC(=O)CC)C 1458a_100020676950_100000210202 [0,1,0,0,0,0|1,0,0]=2 1160 B9R0.34 CCCC(=CC(=O)CF)C 1458a_100020676950_100015361967 [0,1,0,0,0,0|2,0,0]=3 1161 B9R0.34 CCCC(=CC(=O)NC)C 11a_106832991635_100020676950 [0,1,0,0,0,0|1,0,0]=2 1162 B9R0.34 CCCC(=CC(=O)NC)C 1626a_100102657272_100020676950 [0,1,0,0,0,0|1,0,0]=2 1163 B9R0.34 CCCC(=CC(=O)NC)C 240690a_100102657272_100020676950 [0,1,0,0,0,0|1,0,0]=2 1164 B9R0.34 CCCC(=O)C=C(C)CC 1458a_100020758463_100000210303 [0,1,0,0,0,0|2,0,0]=3 1165 B9R0.34 CCCC(=O)CC(=O)CC 1458a_100000210414_100000747444 [0,1,0,0,0,0|1,0,1]=3 1166 B9R0.34 CCCC(=O)CC(=O)CC 1458a_100000211992_100000747405 [0,1,0,0,0,0|1,0,1]=3 1167 B9R0.34 CCCC(=O)CC(=O)CO 1458a_100000210174_100000747444 [0,1,0,0,0,0|2,0,1]=4 1168 B9R0.34 CCCC(=O)CC(=O)NC 1458a_100000211992_100000183359 [0,1,0,0,0,0|1,0,1]=3 1169 B9R0.34 CCCC(=O)CC(=O)OC 1458a_100000211351_100000210303 [0,1,0,0,0,0|0,0,1]=2 1170 B9R0.34 CCCC(=O)CC(=O)OC 1458a_100000211992_100000747449 [0,1,0,0,0,0|0,0,1]=2 1171 B9R0.34 CCCC(C)CC(=O)CC 1458a_100000210414_100011216630 [0,1,0,0,0,0|1,0,2]=4 1172 B9R0.34 CCCC(C)CC(=O)CC 1458a_100000748435_100000210202 [0,1,0,0,0,0|1,0,2]=4 1173 B9R0.34 CCCC(C)CC(=O)NC 11a_106832991635_100000748435 [0,1,0,0,0,0|1,0,2]=4 1174 B9R0.34 CCCC(C)CC(=O)NC 1626a_100102657272_100000748435 [0,1,0,0,0,0|1,0,2]=4 1175 B9R0.34 CCCC(C)CC(=O)NC 240690a_100102657272_100000748435 [0,1,0,0,0,0|1,0,2]=4 1176 B9R0.34 CCCC(C)CC(=O)NC 527a_100102657272_100000748435 [0,1,0,0,0,0|1,0,2]=4 1177 B9R0.34 CCCC(C)NC(=O)CC 11a_100000741246_100000210414 [0,1,0,0,0,0|2,0,1]=4 1178 B9R0.34 CCCC(C)NC(=O)CC 1626a_100000741246_100000210414 [0,1,0,0,0,0|2,0,1]=4 1179 B9R0.34 CCCC(C)NC(=O)CC 240690a_100000741246_100000210414 [0,1,0,0,0,0|2,0,1]=4 1180 B9R0.34 CCCC(C)NC(=O)CC 527a_100000741246_100000210414 [0,1,0,0,0,0|2,0,1]=4 1181 B9R0.34 CCCC(C)NC(=O)NC 2708a_100000741246_106832991635 [0,1,0,0,0,0|2,0,1]=4 1182 B9R0.34 CCCC(C)NC(=O)NC 2708a_100102657272_100000741246 [0,1,0,0,0,0|2,0,1]=4 1183 B9R0.34 CCCC(C)NC(=O)NC 273464a_100000741246_100102657272 [0,1,0,0,0,0|2,0,1]=4 1184 B9R0.34 CCCC(C)NC(=O)NC 512a_100000741246_100102657272 [0,1,0,0,0,0|2,0,1]=4 1185 B9R0.34 CCCC(C)NC(=O)NC 512a_106832991638_100000741246 [0,1,0,0,0,0|2,0,1]=4 1186 B9R0.34 CCCN(C)CC(=O)CC 269982a_100000747261_100000747405 [0,1,0,0,0,0|2,0,1]=4 1187 B9R0.34 CCCN(C)CC(=O)NC 2230a_100000189611_100000210303 [0,1,0,0,0,0|2,0,1]=4 1188 B9R0.34 CCCN(C)CC(=O)NC 2230a_100000747261_100000183359 [0,1,0,0,0,0|2,0,1]=4 1189 B9R0.34 CCCN(C)CC(=O)NC 269982a_100000747261_100000183359 [0,1,0,0,0,0|2,0,1]=4 1190 B9R0.34 CCCN(C)CC(=O)OC 2230a_100000198492_100000210303 [0,1,0,0,0,0|1,0,1]=3 1191 B9R0.34 CCCN(C)CC(=O)OC 2230a_100000747261_100000747449 [0,1,0,0,0,0|1,0,1]=3 1192 B9R0.34 CCCN(C)CC(=O)OC 269982a_100000747261_100000747449 [0,1,0,0,0,0|1,0,1]=3 1193 B9R0.34 CCCS(=O)CC(=O)CC 1458a_100011387404_100000210202 [0,1,0,0,0,0|2,0,1]=4 1194 B9R0.34 CCCS(=O)CC(=O)NC 11a_106832991635_100011387404 [0,1,0,0,0,0|2,0,1]=4 1195 B9R0.34 CCCS(=O)CC(=O)NC 1626a_100102657272_100011387404 [0,1,0,0,0,0|2,0,1]=4 1196 B9R0.34 CCCS(=O)CC(=O)NC 240690a_100102657272_100011387404 [0,1,0,0,0,0|2,0,1]=4 1197 B9R0.34 CCCS(=O)CC(=O)NC 527a_100102657272_100011387404 [0,1,0,0,0,0|2,0,1]=4 1198 B9R0.34 CCNC(=O)C=C(C)CC 11a_100015525214_100020758463 [0,1,0,0,0,0|3,0,0]=4 1199 B9R0.34 CCNC(=O)C=C(C)CC 240690a_100015525214_100020758463 [0,1,0,0,0,0|3,0,0]=4 1200 B9R0.34 CCNC(=O)CC(=O)CC 1458a_100000210414_100000183381 [0,1,0,0,0,0|2,0,1]=4 1201 B9R0.34 CCNC(=O)CC(=O)OC 240690a_100015525214_100000211351 [0,1,0,0,0,0|1,0,1]=3 1202 B9R0.34 CCNC(C)CC(=O)OC 2230a_100015525214_100009817358 [0,1,0,0,0,0|1,0,2]=4 1203 B9R0.34 CCOC(=O)CC(=O)CC 1458a_100000210414_100000188475 [0,1,0,0,0,0|2,0,1]=4 1204 B9R0.34 CCOC(=O)CC(=O)CC 1458a_100000243816_100000210202 [0,1,0,0,0,0|2,0,1]=4 1205 B9R0.34 CCOC(=O)CC(=O)NC 240690a_100102657272_100000243816 [0,1,0,0,0,0|2,0,1]=4 1206 B9R0.34 CCOC(C)CC(=O)OC 34a_100121572206_100009817358 [0,1,0,0,0,0|1,0,2]=4 1207 B9R0.34 CCSC(C)CC(=O)OC 62a_100000210202_100009817358 [0,1,0,0,0,0|1,0,2]=4 1208 B9R0.34 CCSC(C)CC(=O)OC 62a_100009817358_100000210202 [0,1,0,0,0,0|1,0,2]=4 1209 B9R0.34 CNC(=O)CC(=O)CCO 1458a_100011216618_100000183359 [0,1,0,0,0,0|2,0,1]=4 1210 B9R0.34 CNC(=O)CC(=O)COC 1458a_100000210968_100000183359 [0,1,0,0,0,0|2,0,1]=4 1211 B9R0.34 CNC(=O)CC(=O)CSC 1458a_100000184570_100000183359 [0,1,0,0,0,0|2,0,1]=4 1212 B9R0.34 CNC[C@H](O)CC(=O)OC 34a_100102657272_100000754131 [0,1,0,0,0,0|1,0,2]=4 1213 B9R0.34 CNC[C@H](O)CC(=O)OC 7a_106832991635_100000754131 [0,1,0,0,0,0|1,0,2]=4 1214 B9R0.34 CNNC(=O)CC(=O)OC 22a_100016993582_100000211351 [0,1,0,0,0,0|2,0,1]=4 1215 B9R0.34 COC(=O)CC(=O)CC#N 1458a_100000211351_100011214920 [0,1,0,0,0,0|1,0,2]=4 1216 B9R0.34 COC(=O)CC(=O)CC#N 1458a_100051588842_100000747449 [0,1,0,0,0,0|1,0,2]=4 1217 B9R0.34 COC(=O)CC(=O)CCF 1458a_100000211351_100011217306 [0,1,0,0,0,0|1,0,1]=3 1218 B9R0.34 COC(=O)CC(=O)CCO 1458a_100000211351_100000211926 [0,1,0,0,0,0|1,0,1]=3 1219 B9R0.34 COC(=O)CC(=O)CCO 1458a_100011216618_100000747449 [0,1,0,0,0,0|1,0,1]=3 1220 B9R0.34 COC(=O)CC(=O)CSC 1458a_100000184570_100000747449 [0,1,0,0,0,0|1,0,1]=3 1221 B9R0.34 COC(=O)CC(=O)CSC 62a_100000210525_200000210301 [0,1,0,0,0,0|1,0,1]=3 1222 B9R0.34 COC(=O)CC(=O)CSC 62a_200000210301_100000210525 [0,1,0,0,0,0|1,0,1]=3 1223 B9R0.34 COC(=O)CC(=O)CS[13CH3] 62a_100000210525_200025704644 [0,1,0,0,0,0|1,0,1]=3 1224 B9R0.34 COC(=O)CC(=O)CS[13CH3] 62a_200025704644_100000210525 [0,1,0,0,0,0|1,0,1]=3 1225 B9R0.34 COC(=O)CN(C)CCF 2230a_100000198492_100011217306 [0,1,0,0,0,0|2,0,1]=4 1226 B9R0.34 COC(=O)CN(C)CCO 2230a_100000198492_100000211926 [0,1,0,0,0,0|2,0,1]=4 1227 B9R0.34 COC(=O)CN(C)CCO 2230a_100000210263_100000747449 [0,1,0,0,0,0|2,0,1]=4 1228 B9R0.34 COC(=O)CN(C)CCO 269982a_100000210263_100000747449 [0,1,0,0,0,0|2,0,1]=4 1229 B9R0.34 COC(=O)CN(C)CSC 2230a_100000198492_100011218213 [0,1,0,0,0,0|2,0,1]=4 1230 B9R0.34 COC(=O)C[C@@H](O)CSC 62a_100000754131_200000210301 [0,1,0,0,0,0|1,0,2]=4 1231 B9R0.34 COC(=O)C[C@@H](O)CSC 62a_200000210301_100000754131 [0,1,0,0,0,0|1,0,2]=4 1232 B9R0.34 COC(=O)C[C@@H](O)CS[13CH3] 62a_100000754131_200025704644 [0,1,0,0,0,0|1,0,2]=4 1233 B9R0.34 COC(=O)C[C@@H](O)CS[13CH3] 62a_200025704644_100000754131 [0,1,0,0,0,0|1,0,2]=4 1234 B9R0.34 COC(=O)NC(=O)CSC 62a_200000210301_100000010850 [0,1,0,0,0,0|2,0,0]=3 1235 B9R0.34 COC(=O)NC(=O)CS[13CH3] 62a_200025704644_100000010850 [0,1,0,0,0,0|2,0,0]=3 1236 B9R0.34 COCC(=O)CC(=O)OC 1458a_100000210968_100000747449 [0,1,0,0,0,0|1,0,1]=3 1237 B9R0.34 COCN(C)CC(=O)OC 2230a_100000198492_100000766300 [0,1,0,0,0,0|2,0,1]=4 1238 B9R0.34 COC[C@H](O)CC(=O)OC 34a_100138415774_100000754131 [0,1,0,0,0,0|1,0,2]=4 1239 B9R0.46 C#CCCNCC(=O)OC 34a_100000755551_100000747449 [0,1,0,0,0,0|1,0,2]=4 1240 B9R0.46 C#CCCOCC(=O)OC 34a_100011215631_100000747449 [0,1,0,0,0,0|1,0,2]=4 1241 B9R0.46 C#CCCSCC(=O)OC 62a_100000688953_100000747449 [0,1,0,0,0,0|1,0,2]=4 1242 B9R0.46 C#CCCSCC(=O)OC 62a_100000747449_100000688953 [0,1,0,0,0,0|1,0,2]=4 1243 B9R0.46 C/C=C(\C)/C=NNCCC 4a_100000740057_100020587592 [0,1,0,0,0,0|3,0,0]=4 1244 B9R0.46 C/C=C/COCC(=O)OC 34a_100016270725_100000747449 [0,1,0,0,0,0|1,0,2]=4 1245 B9R0.46 C/C=C/CSCC(=O)OC 62a_100000747449_100102629194 [0,1,0,0,0,0|1,0,2]=4 1246 B9R0.46 C/C=C/CSCC(=O)OC 62a_100102629194_100000747449 [0,1,0,0,0,0|1,0,2]=4 1247 B9R0.46 C=CCCNCC(=O)OC 2230a_100015191253_100000747449 [0,1,0,0,0,0|1,0,2]=4 1248 B9R0.46 C=CCCOCC(=O)OC 34a_100011205117_100000747449 [0,1,0,0,0,0|1,0,2]=4 1249 B9R0.46 C=CCCSCC(=O)OC 62a_100000747449_100000754431 [0,1,0,0,0,0|1,0,2]=4 1250 B9R0.46 C=CCCSCC(=O)OC 62a_100000754431_100000747449 [0,1,0,0,0,0|1,0,2]=4 1251 B9R0.46 CC#CCNCC(=O)OC 2230a_100000685387_100000747449 [0,1,0,0,0,0|1,0,2]=4 1252 B9R0.46 CC#CCNCC(=O)OC 34a_100000685387_100000747449 [0,1,0,0,0,0|1,0,2]=4 1253 B9R0.46 CC#CCOCC(=O)OC 34a_100000761923_100000747449 [0,1,0,0,0,0|1,0,2]=4 1254 B9R0.46 CC#CCSCC(=O)OC 62a_100000747449_100000748600 [0,1,0,0,0,0|1,0,2]=4 1255 B9R0.46 CC#CCSCC(=O)OC 62a_100000748600_100000747449 [0,1,0,0,0,0|1,0,2]=4 1256 B9R0.46 CC/C=C\CCC(=O)CC 1458a_100000210414_100015370543 [0,1,0,0,0,0|1,0,2]=4 1257 B9R0.46 CC=CCSCC(=O)OC 62a_100000070051_100000747449 [0,1,0,0,0,0|1,0,2]=4 1258 B9R0.46 CC=CCSCC(=O)OC 62a_100000747449_100000070051 [0,1,0,0,0,0|1,0,2]=4 1259 B9R0.46 CCC(=O)CCCCCF 1458a_100000210414_100000729378 [0,1,0,0,0,0|1,0,2]=4 1260 B9R0.46 CCC(=O)CCCCCO 1458a_100000210414_100000746330 [0,1,0,0,0,0|1,0,2]=4 1261 B9R0.46 CCC(=O)CCCCCO 1458a_100102619762_100000210202 [0,1,0,0,0,0|1,0,2]=4 1262 B9R0.46 CCC(=O)CCCCOC 1458a_100000210414_100000755781 [0,1,0,0,0,0|1,0,2]=4 1263 B9R0.46 CCC(=O)COCCCF 34a_100000725409_100011934791 [0,1,0,0,0,0|2,0,1]=4 1264 B9R0.46 CCC(=O)COCCCO 34a_100000725409_100000230001 [0,1,0,0,0,0|2,0,1]=4 1265 B9R0.46 CCC(=O)COCCOC 1458a_100000211095_100000210202 [0,1,0,0,0,0|2,0,1]=4 1266 B9R0.46 CCC(=O)COCCOC 34a_100000725409_100011201679 [0,1,0,0,0,0|2,0,1]=4 1267 B9R0.46 CCC(=O)COCCSC 34a_100000725409_100000212216 [0,1,0,0,0,0|2,0,1]=4 1268 B9R0.46 CCC(=O)COCCSC 7a_100000230434_100000747405 [0,1,0,0,0,0|2,0,1]=4 1269 B9R0.46 CCC(=O)CSCCCF 62a_100000747405_100011934791 [0,1,0,0,0,0|2,0,1]=4 1270 B9R0.46 CCC(=O)CSCCCF 62a_100011934791_100000747405 [0,1,0,0,0,0|2,0,1]=4 1271 B9R0.46 CCC(=O)CSCCCO 62a_100000747405_100011215043 [0,1,0,0,0,0|2,0,1]=4 1272 B9R0.46 CCC(=O)CSCCCO 62a_100011215043_100000747405 [0,1,0,0,0,0|2,0,1]=4 1273 B9R0.46 CCC(=O)CSCCOC 62a_100000233755_100000747405 [0,1,0,0,0,0|2,0,1]=4 1274 B9R0.46 CCC(=O)CSCCOC 62a_100000747405_100000233755 [0,1,0,0,0,0|2,0,1]=4 1275 B9R0.46 CCC(=O)CSCCSC 62a_100000212216_100000747405 [0,1,0,0,0,0|2,0,1]=4 1276 B9R0.46 CCC(=O)CSCCSC 62a_100000747405_100000751147 [0,1,0,0,0,0|2,0,1]=4 1277 B9R0.46 CCC(=O)NCCCCO 240690a_100000750430_100000210414 [0,1,0,0,0,0|2,0,1]=4 1278 B9R0.46 CCC(=O)NCCCCO 527a_100000750430_100000210414 [0,1,0,0,0,0|2,0,1]=4 1279 B9R0.46 CCC(=O)NCCCOC 1626a_100150723488_100000210414 [0,1,0,0,0,0|2,0,1]=4 1280 B9R0.46 CCC(=O)NCCCOC 240690a_100150723488_100000210414 [0,1,0,0,0,0|2,0,1]=4 1281 B9R0.46 CCC(=O)NCCCOC 527a_100150723488_100000210414 [0,1,0,0,0,0|2,0,1]=4 1282 B9R0.46 CCC(=O)NCCCSC 11a_100000749238_100000210414 [0,1,0,0,0,0|2,0,1]=4 1283 B9R0.46 CCC(=O)NCCCSC 1626a_100000749238_100000210414 [0,1,0,0,0,0|2,0,1]=4 1284 B9R0.46 CCC(=O)NCCCSC 240690a_100000749238_100000210414 [0,1,0,0,0,0|2,0,1]=4 1285 B9R0.46 CCC(=O)NCCCSC 527a_100000749238_100000210414 [0,1,0,0,0,0|2,0,1]=4 1286 B9R0.46 CCC(=O)NNCCOC 22a_100000741390_100000210414 [0,1,0,0,0,0|3,0,0]=4 1287 B9R0.46 CCC/C=C/CC(=O)CC 1458a_200016266809_100000210202 [0,1,0,0,0,0|1,0,0]=2 1288 B9R0.46 CCC/C=C/CC(=O)CF 1458a_200016266809_100015361967 [0,1,0,0,0,0|2,0,0]=3 1289 B9R0.46 CCC/C=C/CC(=O)NC 11a_106832991635_200016266809 [0,1,0,0,0,0|1,0,0]=2 1290 B9R0.46 CCC/C=C/CC(=O)NC 1626a_100102657272_200016266809 [0,1,0,0,0,0|1,0,0]=2 1291 B9R0.46 CCC/C=C/CC(=O)NC 240690a_100102657272_200016266809 [0,1,0,0,0,0|1,0,0]=2 1292 B9R0.46 CCC/C=C/CC(=O)NC 527a_100102657272_200016266809 [0,1,0,0,0,0|1,0,0]=2 1293 B9R0.46 CCCC=NNC(=O)CC 4a_100000183195_100000185831 [0,1,0,0,0,0|2,0,0]=3 1294 B9R0.46 CCCCC=CC(=O)CC 1458a_100016266645_100000210202 [0,1,0,0,0,0|1,0,0]=2 1295 B9R0.46 CCCCC=CC(=O)CF 1458a_100016266645_100015361967 [0,1,0,0,0,0|2,0,0]=3 1296 B9R0.46 CCCCC=CC(=O)NC 11a_106832991635_100016266645 [0,1,0,0,0,0|1,0,0]=2 1297 B9R0.46 CCCCC=CC(=O)NC 1626a_100102657272_100016266645 [0,1,0,0,0,0|1,0,0]=2 1298 B9R0.46 CCCCC=CC(=O)NC 240690a_100102657272_100016266645 [0,1,0,0,0,0|1,0,0]=2 1299 B9R0.46 CCCCCCC(=O)CC 1458a_100000210414_100000210757 [0,1,0,0,0,0|1,0,2]=4 1300 B9R0.46 CCCCCCC(=O)CC 1458a_100102632555_100000210202 [0,1,0,0,0,0|1,0,2]=4 1301 B9R0.46 CCCCCCC(=O)NC 11a_106832991635_100102632555 [0,1,0,0,0,0|1,0,2]=4 1302 B9R0.46 CCCCCCC(=O)NC 1626a_100102657272_100102632555 [0,1,0,0,0,0|1,0,2]=4 1303 B9R0.46 CCCCCCC(=O)NC 240690a_100102657272_100102632555 [0,1,0,0,0,0|1,0,2]=4 1304 B9R0.46 CCCCCCC(=O)NC 527a_100102657272_100102632555 [0,1,0,0,0,0|1,0,2]=4 1305 B9R0.46 CCCCCNC(=O)CC 11a_100000209983_100000210414 [0,1,0,0,0,0|1,0,2]=4 1306 B9R0.46 CCCCCNC(=O)CC 1626a_100000209983_100000210414 [0,1,0,0,0,0|1,0,2]=4 1307 B9R0.46 CCCCCNC(=O)CC 240690a_100000209983_100000210414 [0,1,0,0,0,0|1,0,2]=4 1308 B9R0.46 CCCCCNC(=O)CC 527a_100000209983_100000210414 [0,1,0,0,0,0|1,0,2]=4 1309 B9R0.46 CCCCCNC(=O)NC 2708a_100000209983_106832991635 [0,1,0,0,0,0|1,0,2]=4 1310 B9R0.46 CCCCCNC(=O)NC 2708a_100102657272_100000209983 [0,1,0,0,0,0|1,0,2]=4 1311 B9R0.46 CCCCCNC(=O)NC 273464a_100000209983_100102657272 [0,1,0,0,0,0|1,0,2]=4 1312 B9R0.46 CCCCCNC(=O)NC 273464a_100102657272_100000209983 [0,1,0,0,0,0|1,0,2]=4 1313 B9R0.46 CCCCCNC(=O)NC 512a_100000209983_100102657272 [0,1,0,0,0,0|1,0,2]=4 1314 B9R0.46 CCCCCNC(=O)NC 512a_106832991638_100000209983 [0,1,0,0,0,0|1,0,2]=4 1315 B9R0.46 CCCCNCC(=O)CC 7a_106832991798_100000747405 [0,1,0,0,0,0|1,0,2]=4 1316 B9R0.46 CCCCNCC(=O)NC 2230a_100000102301_100000183359 [0,1,0,0,0,0|1,0,2]=4 1317 B9R0.46 CCCCNCC(=O)NC 2230a_100000693194_100000210211 [0,1,0,0,0,0|1,0,2]=4 1318 B9R0.46 CCCCNCC(=O)NC 7a_106832991798_100000183359 [0,1,0,0,0,0|1,0,2]=4 1319 B9R0.46 CCCCNCC(=O)OC 2230a_100000102301_100000747449 [0,1,0,0,0,0|0,0,2]=3 1320 B9R0.46 CCCCNCC(=O)OC 7a_106832991798_100000747449 [0,1,0,0,0,0|0,0,2]=3 1321 B9R0.46 CCCCNNC(=O)CC 22a_100025702795_100000210414 [0,1,0,0,0,0|2,0,1]=4 1322 B9R0.46 CCCCNNC(=O)NC 273464a_100102657272_100025702795 [0,1,0,0,0,0|2,0,1]=4 1323 B9R0.46 CCCCNNC(=O)NC 512a_100025702795_100102657272 [0,1,0,0,0,0|2,0,1]=4 1324 B9R0.46 CCCCNNC(=O)NC 512a_106832991638_100025702795 [0,1,0,0,0,0|2,0,1]=4 1325 B9R0.46 CCCCOCC(=O)CC 1458a_100000210414_100011995733 [0,1,0,0,0,0|1,0,2]=4 1326 B9R0.46 CCCCOCC(=O)CC 1458a_100000757543_100000210202 [0,1,0,0,0,0|1,0,2]=4 1327 B9R0.46 CCCCOCC(=O)CC 34a_100000725409_100000210210 [0,1,0,0,0,0|1,0,2]=4 1328 B9R0.46 CCCCOCC(=O)CC 7a_100000210227_100000747405 [0,1,0,0,0,0|1,0,2]=4 1329 B9R0.46 CCCCOCC(=O)NC 11a_106832991635_100000757543 [0,1,0,0,0,0|1,0,2]=4 1330 B9R0.46 CCCCOCC(=O)NC 1626a_100102657272_100000757543 [0,1,0,0,0,0|1,0,2]=4 1331 B9R0.46 CCCCOCC(=O)NC 240690a_100102657272_100000757543 [0,1,0,0,0,0|1,0,2]=4 1332 B9R0.46 CCCCOCC(=O)NC 34a_100000210227_100000183359 [0,1,0,0,0,0|1,0,2]=4 1333 B9R0.46 CCCCOCC(=O)NC 34a_100000750040_100000210210 [0,1,0,0,0,0|1,0,2]=4 1334 B9R0.46 CCCCOCC(=O)NC 527a_100102657272_100000757543 [0,1,0,0,0,0|1,0,2]=4 1335 B9R0.46 CCCCOCC(=O)NC 7a_100000210227_100000183359 [0,1,0,0,0,0|1,0,2]=4 1336 B9R0.46 CCCCOCC(=O)OC 34a_100000210227_100000747449 [0,1,0,0,0,0|0,0,2]=3 1337 B9R0.46 CCCCOCC(=O)OC 7a_100000210227_100000747449 [0,1,0,0,0,0|0,0,2]=3 1338 B9R0.46 CCCCSCC(=O)CC 1458a_100000191162_100000210202 [0,1,0,0,0,0|1,0,2]=4 1339 B9R0.46 CCCCSCC(=O)CC 62a_100000210211_100000747405 [0,1,0,0,0,0|1,0,2]=4 1340 B9R0.46 CCCCSCC(=O)CC 62a_100000747405_100000210210 [0,1,0,0,0,0|1,0,2]=4 1341 B9R0.46 CCCCSCC(=O)NC 11a_106832991635_100000191162 [0,1,0,0,0,0|1,0,2]=4 1342 B9R0.46 CCCCSCC(=O)NC 1626a_100102657272_100000191162 [0,1,0,0,0,0|1,0,2]=4 1343 B9R0.46 CCCCSCC(=O)NC 240690a_100102657272_100000191162 [0,1,0,0,0,0|1,0,2]=4 1344 B9R0.46 CCCCSCC(=O)NC 527a_100102657272_100000191162 [0,1,0,0,0,0|1,0,2]=4 1345 B9R0.46 CCCCSCC(=O)NC 62a_100000183359_100000210210 [0,1,0,0,0,0|1,0,2]=4 1346 B9R0.46 CCCCSCC(=O)NC 62a_100000210211_100000183359 [0,1,0,0,0,0|1,0,2]=4 1347 B9R0.46 CCCCSCC(=O)OC 62a_100000210211_100000747449 [0,1,0,0,0,0|0,0,2]=3 1348 B9R0.46 CCCCSCC(=O)OC 62a_100000747449_100000210210 [0,1,0,0,0,0|0,0,2]=3 1349 B9R0.46 CCCNCCC(=O)NC 2230a_100000738227_100000210303 [0,1,0,0,0,0|1,0,2]=4 1350 B9R0.46 CCCNCCC(=O)NC 34a_100000738227_100000210303 [0,1,0,0,0,0|1,0,2]=4 1351 B9R0.46 CCCNN=CC(=O)OC 4a_100000740057_200011823558 [0,1,0,0,0,0|1,0,0]=2 1352 B9R0.46 CCCOCCC(=O)CC 1458a_100000210414_100011215938 [0,1,0,0,0,0|1,0,2]=4 1353 B9R0.46 CCCOCCC(=O)NC 34a_100000210258_100012179268 [0,1,0,0,0,0|1,0,2]=4 1354 B9R0.46 CCCOCCC(=O)NC 34a_100000754576_100000210303 [0,1,0,0,0,0|1,0,2]=4 1355 B9R0.46 CCCOCCC(=O)OC 34a_100000210258_100000742370 [0,1,0,0,0,0|0,0,2]=3 1356 B9R0.46 CCCSCCC(=O)NC 62a_100000210303_100000737683 [0,1,0,0,0,0|1,0,2]=4 1357 B9R0.46 CCCSCCC(=O)NC 62a_100000737683_100000210303 [0,1,0,0,0,0|1,0,2]=4 1358 B9R0.46 CCCSCCC(=O)OC 62a_100000204255_100000210303 [0,1,0,0,0,0|0,0,2]=3 1359 B9R0.46 CCCSCCC(=O)OC 62a_100000210303_100000204255 [0,1,0,0,0,0|0,0,2]=3 1360 B9R0.46 CCCSCOC(=O)OC 62a_100000210303_100000139417 [0,1,0,0,0,0|1,0,1]=3 1361 B9R0.46 CCNC/C=C/C(=O)OC 2230a_100015525214_100000742655 [0,1,0,0,0,0|0,0,0]=1 1362 B9R0.46 CCNCCCC(=O)NC 2230a_100000740002_100000210202 [0,1,0,0,0,0|1,0,2]=4 1363 B9R0.46 CCNCCCC(=O)NC 2230a_100015525214_100000741757 [0,1,0,0,0,0|1,0,2]=4 1364 B9R0.46 CCNCCCC(=O)NC 34a_100000740002_100000210202 [0,1,0,0,0,0|1,0,2]=4 1365 B9R0.46 CCNCCCC(=O)OC 2230a_100015525214_100011218270 [0,1,0,0,0,0|0,0,2]=3 1366 B9R0.46 CCNCCNC(=O)CC 34a_100132302217_100000210202 [0,1,0,0,0,0|2,0,1]=4 1367 B9R0.46 CCNCCNC(=O)NC 34a_100015205895_100000210202 [0,1,0,0,0,0|2,0,1]=4 1368 B9R0.46 CCNN=CCC(=O)OC 4a_100000756455_200011552997 [0,1,0,0,0,0|1,0,1]=3 1369 B9R0.46 CCOC/C=C/C(=O)OC 34a_100121572206_100000742655 [0,1,0,0,0,0|0,0,0]=1 1370 B9R0.46 CCOCCCC(=O)CC 1458a_100000210414_100012232248 [0,1,0,0,0,0|1,0,2]=4 1371 B9R0.46 CCOCCCC(=O)NC 34a_100121572206_100000741757 [0,1,0,0,0,0|1,0,2]=4 1372 B9R0.46 CCOCCCC(=O)OC 34a_100121572206_100000742333 [0,1,0,0,0,0|0,0,2]=3 1373 B9R0.46 CCOCCNC(=O)CC 11a_100011200944_100000210414 [0,1,0,0,0,0|2,0,1]=4 1374 B9R0.46 CCOCCNC(=O)CC 1626a_102516460346_100000210414 [0,1,0,0,0,0|2,0,1]=4 1375 B9R0.46 CCOCCNC(=O)CC 240690a_100011200944_100000210414 [0,1,0,0,0,0|2,0,1]=4 1376 B9R0.46 CCOCCNC(=O)CC 34a_200000158885_100000210202 [0,1,0,0,0,0|2,0,1]=4 1377 B9R0.46 CCOCCNC(=O)CC 527a_100011200944_100000210414 [0,1,0,0,0,0|2,0,1]=4 1378 B9R0.46 CCOCCNC(=O)CC 7a_200000158885_100000210202 [0,1,0,0,0,0|2,0,1]=4 1379 B9R0.46 CCOCCNC(=O)NC 2708a_100011200944_106832991635 [0,1,0,0,0,0|2,0,1]=4 1380 B9R0.46 CCOCCNC(=O)NC 2708a_100102657272_100011200944 [0,1,0,0,0,0|2,0,1]=4 1381 B9R0.46 CCOCCNC(=O)NC 273464a_100102657272_102516460346 [0,1,0,0,0,0|2,0,1]=4 1382 B9R0.46 CCOCCNC(=O)NC 273464a_102516460346_100102657272 [0,1,0,0,0,0|2,0,1]=4 1383 B9R0.46 CCOCCNC(=O)NC 512a_100011200944_100102657272 [0,1,0,0,0,0|2,0,1]=4 1384 B9R0.46 CCOCCNC(=O)NC 512a_106832991638_100011200944 [0,1,0,0,0,0|2,0,1]=4 1385 B9R0.46 CCOCCNC(=O)OC 34a_100000757965_100000210202 [0,1,0,0,0,0|1,0,1]=3 1386 B9R0.46 CCOCCOC(=O)CC 7a_200000031056_100000210202 [0,1,0,0,0,0|2,0,1]=4 1387 B9R0.46 CCOCCOC(=O)NC 34a_100121572206_200011997002 [0,1,0,0,0,0|2,0,1]=4 1388 B9R0.46 CCOCCOC(=O)OC 34a_100010262106_100000210202 [0,1,0,0,0,0|1,0,1]=3 1389 B9R0.46 CCOCSCC(=O)CC 62a_100000739092_100000747405 [0,1,0,0,0,0|2,0,1]=4 1390 B9R0.46 CCOCSCC(=O)CC 62a_100000747405_100000739092 [0,1,0,0,0,0|2,0,1]=4 1391 B9R0.46 CCOCSCC(=O)NC 62a_100000183359_100000739092 [0,1,0,0,0,0|2,0,1]=4 1392 B9R0.46 CCOCSCC(=O)NC 62a_100000739092_100000183359 [0,1,0,0,0,0|2,0,1]=4 1393 B9R0.46 CCOCSCC(=O)OC 62a_100000739092_100000747449 [0,1,0,0,0,0|1,0,1]=3 1394 B9R0.46 CCOCSCC(=O)OC 62a_100000747449_100000739092 [0,1,0,0,0,0|1,0,1]=3 1395 B9R0.46 CCSC/C=C/C(=O)OC 62a_100000210202_100000742655 [0,1,0,0,0,0|0,0,0]=1 1396 B9R0.46 CCSC/C=C/C(=O)OC 62a_100000742655_100000210202 [0,1,0,0,0,0|0,0,0]=1 1397 B9R0.46 CCSCCCC(=O)NC 62a_100000210202_100000741757 [0,1,0,0,0,0|1,0,2]=4 1398 B9R0.46 CCSCCCC(=O)NC 62a_100000741757_100000210202 [0,1,0,0,0,0|1,0,2]=4 1399 B9R0.46 CCSCCCC(=O)OC 62a_100000210202_100011218270 [0,1,0,0,0,0|0,0,2]=3 1400 B9R0.46 CCSCCCC(=O)OC 62a_100011218270_100000210202 [0,1,0,0,0,0|0,0,2]=3 1401 B9R0.46 CCSCCNC(=O)CC 11a_100000106463_100000210414 [0,1,0,0,0,0|2,0,1]=4 1402 B9R0.46 CCSCCNC(=O)CC 1626a_100000106463_100000210414 [0,1,0,0,0,0|2,0,1]=4 1403 B9R0.46 CCSCCNC(=O)CC 240690a_100000106463_100000210414 [0,1,0,0,0,0|2,0,1]=4 1404 B9R0.46 CCSCCNC(=O)CC 527a_100000106463_100000210414 [0,1,0,0,0,0|2,0,1]=4 1405 B9R0.46 CCSCCNC(=O)NC 2708a_100000106463_106832991635 [0,1,0,0,0,0|2,0,1]=4 1406 B9R0.46 CCSCCNC(=O)NC 2708a_100102657272_100000106463 [0,1,0,0,0,0|2,0,1]=4 1407 B9R0.46 CCSCCNC(=O)NC 273464a_100000106463_100102657272 [0,1,0,0,0,0|2,0,1]=4 1408 B9R0.46 CCSCCNC(=O)NC 273464a_100102657272_100000106463 [0,1,0,0,0,0|2,0,1]=4 1409 B9R0.46 CCSCCNC(=O)NC 512a_100000106463_100102657272 [0,1,0,0,0,0|2,0,1]=4 1410 B9R0.46 CCSCCNC(=O)NC 512a_106832991638_100000106463 [0,1,0,0,0,0|2,0,1]=4 1411 B9R0.46 CCSCCOC(=O)NC 62a_100000210202_200011997002 [0,1,0,0,0,0|2,0,1]=4 1412 B9R0.46 CCSCCOC(=O)NC 62a_200011997002_100000210202 [0,1,0,0,0,0|2,0,1]=4 1413 B9R0.46 CNC(=O)CCCCCO 240690a_100102657272_100102619762 [0,1,0,0,0,0|1,0,2]=4 1414 B9R0.46 CNC(=O)CNCCCF 2230a_100000693194_100011934791 [0,1,0,0,0,0|2,0,1]=4 1415 B9R0.46 CNC(=O)CNCCCF 2230a_100015189416_100000183359 [0,1,0,0,0,0|2,0,1]=4 1416 B9R0.46 CNC(=O)CNCCCF 34a_100015189416_100000183359 [0,1,0,0,0,0|2,0,1]=4 1417 B9R0.46 CNC(=O)CNCCCO 2230a_100000693194_100000230001 [0,1,0,0,0,0|2,0,1]=4 1418 B9R0.46 CNC(=O)CNCCOC 2230a_100000209980_100000183359 [0,1,0,0,0,0|2,0,1]=4 1419 B9R0.46 CNC(=O)CNCCOC 2230a_100000693194_100011201679 [0,1,0,0,0,0|2,0,1]=4 1420 B9R0.46 CNC(=O)CNCCSC 2230a_100000693194_100000751147 [0,1,0,0,0,0|2,0,1]=4 1421 B9R0.46 CNC(=O)CNCCSC 2230a_100020590264_100000183359 [0,1,0,0,0,0|2,0,1]=4 1422 B9R0.46 CNC(=O)COCCCBr 34a_100011217188_100000183359 [0,1,0,0,0,0|2,0,1]=4 1423 B9R0.46 CNC(=O)COCCCCl 34a_100000230001_100000183359 [0,1,0,0,0,0|2,0,1]=4 1424 B9R0.46 CNC(=O)COCCCF 34a_100000750040_100011934791 [0,1,0,0,0,0|2,0,1]=4 1425 B9R0.46 CNC(=O)COCCCF 34a_100000759539_100000183359 [0,1,0,0,0,0|2,0,1]=4 1426 B9R0.46 CNC(=O)COCCCN 34a_100000182051_100000183359 [0,1,0,0,0,0|2,0,1]=4 1427 B9R0.46 CNC(=O)COCCCO 34a_100000750040_100000230001 [0,1,0,0,0,0|2,0,1]=4 1428 B9R0.46 CNC(=O)COCCOC 11a_106832991635_100000211095 [0,1,0,0,0,0|2,0,1]=4 1429 B9R0.46 CNC(=O)COCCOC 1626a_100102657272_100000211095 [0,1,0,0,0,0|2,0,1]=4 1430 B9R0.46 CNC(=O)COCCOC 240690a_100102657272_100000211095 [0,1,0,0,0,0|2,0,1]=4 1431 B9R0.46 CNC(=O)COCCOC 34a_100000210237_100000183359 [0,1,0,0,0,0|2,0,1]=4 1432 B9R0.46 CNC(=O)COCCOC 34a_100000750040_100011201679 [0,1,0,0,0,0|2,0,1]=4 1433 B9R0.46 CNC(=O)COCCOC 527a_100102657272_100000211095 [0,1,0,0,0,0|2,0,1]=4 1434 B9R0.46 CNC(=O)COCCSC 34a_100000230434_100000183359 [0,1,0,0,0,0|2,0,1]=4 1435 B9R0.46 CNC(=O)COCCSC 34a_100000750040_100000212216 [0,1,0,0,0,0|2,0,1]=4 1436 B9R0.46 CNC(=O)COCCSC 7a_100000230434_100000183359 [0,1,0,0,0,0|2,0,1]=4 1437 B9R0.46 CNC(=O)CSCCCF 62a_100000183359_100011934791 [0,1,0,0,0,0|2,0,1]=4 1438 B9R0.46 CNC(=O)CSCCCF 62a_100011934791_100000183359 [0,1,0,0,0,0|2,0,1]=4 1439 B9R0.46 CNC(=O)CSCCCO 62a_100000183359_100011215043 [0,1,0,0,0,0|2,0,1]=4 1440 B9R0.46 CNC(=O)CSCCCO 62a_100011215043_100000183359 [0,1,0,0,0,0|2,0,1]=4 1441 B9R0.46 CNC(=O)CSCCOC 62a_100000183359_100000233755 [0,1,0,0,0,0|2,0,1]=4 1442 B9R0.46 CNC(=O)CSCCOC 62a_100000233755_100000183359 [0,1,0,0,0,0|2,0,1]=4 1443 B9R0.46 CNC(=O)CSCCSC 62a_100000183359_100000751147 [0,1,0,0,0,0|2,0,1]=4 1444 B9R0.46 CNC(=O)CSCCSC 62a_100000212216_100000183359 [0,1,0,0,0,0|2,0,1]=4 1445 B9R0.46 CNC(=O)NCCCCO 2708a_100000750430_106832991635 [0,1,0,0,0,0|2,0,1]=4 1446 B9R0.46 CNC(=O)NCCCCO 2708a_100102657272_100000750430 [0,1,0,0,0,0|2,0,1]=4 1447 B9R0.46 CNC(=O)NCCCCO 273464a_100000750430_100102657272 [0,1,0,0,0,0|2,0,1]=4 1448 B9R0.46 CNC(=O)NCCCCO 273464a_100102657272_100000750430 [0,1,0,0,0,0|2,0,1]=4 1449 B9R0.46 CNC(=O)NCCCCO 512a_100000750430_100102657272 [0,1,0,0,0,0|2,0,1]=4 1450 B9R0.46 CNC(=O)NCCCCO 512a_106832991638_100000750430 [0,1,0,0,0,0|2,0,1]=4 1451 B9R0.46 CNC(=O)NCCCOC 2708a_100102657272_100150723488 [0,1,0,0,0,0|2,0,1]=4 1452 B9R0.46 CNC(=O)NCCCOC 2708a_100150723488_106832991635 [0,1,0,0,0,0|2,0,1]=4 1453 B9R0.46 CNC(=O)NCCCOC 273464a_100102657272_100150723488 [0,1,0,0,0,0|2,0,1]=4 1454 B9R0.46 CNC(=O)NCCCOC 273464a_100150723488_100102657272 [0,1,0,0,0,0|2,0,1]=4 1455 B9R0.46 CNC(=O)NCCCOC 512a_106832991638_100150723488 [0,1,0,0,0,0|2,0,1]=4 1456 B9R0.46 CNC(=O)NCCCSC 2708a_100000749238_106832991635 [0,1,0,0,0,0|2,0,1]=4 1457 B9R0.46 CNC(=O)NCCCSC 2708a_100102657272_100000749238 [0,1,0,0,0,0|2,0,1]=4 1458 B9R0.46 CNC(=O)NCCCSC 273464a_100000749238_100102657272 [0,1,0,0,0,0|2,0,1]=4 1459 B9R0.46 CNC(=O)NCCCSC 273464a_100102657272_100000749238 [0,1,0,0,0,0|2,0,1]=4 1460 B9R0.46 CNC(=O)NCCCSC 512a_100000749238_100102657272 [0,1,0,0,0,0|2,0,1]=4 1461 B9R0.46 CNC(=O)NCCCSC 512a_106832991638_100000749238 [0,1,0,0,0,0|2,0,1]=4 1462 B9R0.46 CNC(=O)NNCCOC 273464a_100102657272_100000741390 [0,1,0,0,0,0|3,0,0]=4 1463 B9R0.46 CNCCCCC(=O)OC 2230a_106832991635_100000204269 [0,1,0,0,0,0|0,0,2]=3 1464 B9R0.46 CNCCCCC(=O)OC 34a_100102657272_100000204269 [0,1,0,0,0,0|0,0,2]=3 1465 B9R0.46 CNCCCCC(=O)OC 7a_106832991635_100000204269 [0,1,0,0,0,0|0,0,2]=3 1466 B9R0.46 CNCCOCC(=O)OC 2230a_106832991635_100000090808 [0,1,0,0,0,0|1,0,1]=3 1467 B9R0.46 CNCCOCC(=O)OC 34a_100102657272_100000090808 [0,1,0,0,0,0|1,0,1]=3 1468 B9R0.46 CNCCOCC(=O)OC 7a_106832991635_100000090808 [0,1,0,0,0,0|1,0,1]=3 1469 B9R0.46 COC(=O)/C=C/CSCF 62a_100000742655_100015361967 [0,1,0,0,0,0|1,0,0]=2 1470 B9R0.46 COC(=O)/C=C/CSCF 62a_100015361967_100000742655 [0,1,0,0,0,0|1,0,0]=2 1471 B9R0.46 COC(=O)C=NNCCO 4a_100000210001_200011823558 [0,1,0,0,0,0|2,0,0]=3 1472 B9R0.46 COC(=O)CCCCO[13CH3] 34a_100000059025_200025704644 [0,1,0,0,0,0|0,0,2]=3 1473 B9R0.46 COC(=O)CCCCO[13CH3] 7a_100000059025_200025704644 [0,1,0,0,0,0|0,0,2]=3 1474 B9R0.46 COC(=O)CCCCSC 62a_100000204269_200000210301 [0,1,0,0,0,0|0,0,2]=3 1475 B9R0.46 COC(=O)CCCCSC 62a_200000210301_100000204269 [0,1,0,0,0,0|0,0,2]=3 1476 B9R0.46 COC(=O)CCCCS[13CH3] 62a_100000204269_200025704644 [0,1,0,0,0,0|0,0,2]=3 1477 B9R0.46 COC(=O)CCCCS[13CH3] 62a_200025704644_100000204269 [0,1,0,0,0,0|0,0,2]=3 1478 B9R0.46 COC(=O)CCCSCF 62a_100011218270_100015361967 [0,1,0,0,0,0|1,0,2]=4 1479 B9R0.46 COC(=O)CCCSCF 62a_100015361967_100011218270 [0,1,0,0,0,0|1,0,2]=4 1480 B9R0.46 COC(=O)CCNCCF 34a_100000724931_100000742370 [0,1,0,0,0,0|1,0,2]=4 1481 B9R0.46 COC(=O)CCNCCO 2230a_100016997473_100000204255 [0,1,0,0,0,0|1,0,2]=4 1482 B9R0.46 COC(=O)CCNCCO 34a_100016990907_100000742370 [0,1,0,0,0,0|1,0,2]=4 1483 B9R0.46 COC(=O)CCOCCBr 34a_100000211926_100000742370 [0,1,0,0,0,0|1,0,2]=4 1484 B9R0.46 COC(=O)CCOCCN 34a_100000210304_100000742370 [0,1,0,0,0,0|1,0,2]=4 1485 B9R0.46 COC(=O)CCSCCF 62a_100000204255_100011217306 [0,1,0,0,0,0|1,0,2]=4 1486 B9R0.46 COC(=O)CCSCCF 62a_100011217306_100000204255 [0,1,0,0,0,0|1,0,2]=4 1487 B9R0.46 COC(=O)CCSCCO 62a_100000204255_100000211926 [0,1,0,0,0,0|1,0,2]=4 1488 B9R0.46 COC(=O)CCSCCO 62a_100000211926_100000204255 [0,1,0,0,0,0|1,0,2]=4 1489 B9R0.46 COC(=O)CCSCSC 62a_100000204255_100011218213 [0,1,0,0,0,0|1,0,2]=4 1490 B9R0.46 COC(=O)CCSCSC 62a_100011218213_100000204255 [0,1,0,0,0,0|1,0,2]=4 1491 B9R0.46 COC(=O)CNCCCF 2230a_100015189416_100000747449 [0,1,0,0,0,0|1,0,1]=3 1492 B9R0.46 COC(=O)CNCCCF 34a_100015189416_100000747449 [0,1,0,0,0,0|1,0,1]=3 1493 B9R0.46 COC(=O)CNCCSC 2230a_100020590264_100000747449 [0,1,0,0,0,0|1,0,1]=3 1494 B9R0.46 COC(=O)COCCCBr 34a_100011217188_100000747449 [0,1,0,0,0,0|1,0,1]=3 1495 B9R0.46 COC(=O)COCCCCl 34a_100000230001_100000747449 [0,1,0,0,0,0|1,0,1]=3 1496 B9R0.46 COC(=O)COCCCF 34a_100000759539_100000747449 [0,1,0,0,0,0|1,0,1]=3 1497 B9R0.46 COC(=O)COCCCN 34a_100000182051_100000747449 [0,1,0,0,0,0|1,0,1]=3 1498 B9R0.46 COC(=O)COCCON 34a_100000700252_100000747449 [0,1,0,0,0,0|2,0,1]=4 1499 B9R0.46 COC(=O)COCCSC 34a_100000230434_100000747449 [0,1,0,0,0,0|1,0,1]=3 1500 B9R0.46 COC(=O)COCCSC 62a_100000090808_200000210301 [0,1,0,0,0,0|1,0,1]=3 1501 B9R0.46 COC(=O)COCCSC 62a_200000210301_100000090808 [0,1,0,0,0,0|1,0,1]=3 1502 B9R0.46 COC(=O)COCCSC 7a_100000230434_100000747449 [0,1,0,0,0,0|1,0,1]=3 1503 B9R0.46 COC(=O)COCCS[13CH3] 62a_100000090808_200025704644 [0,1,0,0,0,0|1,0,1]=3 1504 B9R0.46 COC(=O)COCCS[13CH3] 62a_200025704644_100000090808 [0,1,0,0,0,0|1,0,1]=3 1505 B9R0.46 COC(=O)CSCCC#N 62a_100000747449_100011215226 [0,1,0,0,0,0|1,0,2]=4 1506 B9R0.46 COC(=O)CSCCC#N 62a_100011215226_100000747449 [0,1,0,0,0,0|1,0,2]=4 1507 B9R0.46 COC(=O)CSCCCF 62a_100000747449_100011934791 [0,1,0,0,0,0|1,0,1]=3 1508 B9R0.46 COC(=O)CSCCCF 62a_100011934791_100000747449 [0,1,0,0,0,0|1,0,1]=3 1509 B9R0.46 COC(=O)CSCCCO 62a_100000747449_100011215043 [0,1,0,0,0,0|1,0,1]=3 1510 B9R0.46 COC(=O)CSCCCO 62a_100011215043_100000747449 [0,1,0,0,0,0|1,0,1]=3 1511 B9R0.46 COC(=O)CSCCSC 62a_100000212216_100000747449 [0,1,0,0,0,0|1,0,1]=3 1512 B9R0.46 COC(=O)CSCCSC 62a_100000747449_100000751147 [0,1,0,0,0,0|1,0,1]=3 1513 B9R0.46 COC(=O)NCCOCF 34a_100000757965_100015361967 [0,1,0,0,0,0|2,0,1]=4 1514 B9R0.46 COC(=O)OCCOCF 34a_100010262106_100015361967 [0,1,0,0,0,0|2,0,1]=4 1515 B9R0.46 COC(=O)OCSCCF 62a_100011217306_100000139417 [0,1,0,0,0,0|2,0,1]=4 1516 B9R0.46 COC(=O)OCSCCO 62a_100000211926_100000139417 [0,1,0,0,0,0|2,0,1]=4 1517 B9R0.46 COC(=O)OCSCSC 62a_100011218213_100000139417 [0,1,0,0,0,0|2,0,1]=4 1518 B9R0.46 COCCCCC(=O)OC 34a_100000059025_200000210301 [0,1,0,0,0,0|0,0,2]=3 1519 B9R0.46 COCCCCC(=O)OC 34a_100138415774_100000204269 [0,1,0,0,0,0|0,0,2]=3 1520 B9R0.46 COCCCCC(=O)OC 7a_100000059025_200000210301 [0,1,0,0,0,0|0,0,2]=3 1521 B9R0.46 COCCNCC(=O)OC 2230a_100000209980_100000747449 [0,1,0,0,0,0|1,0,1]=3 1522 B9R0.46 COCCOCC(=O)OC 34a_100000210237_100000747449 [0,1,0,0,0,0|1,0,1]=3 1523 B9R0.46 COCCOCC(=O)OC 34a_100138415774_100000090808 [0,1,0,0,0,0|1,0,1]=3 1524 B9R0.46 COCCSCC(=O)OC 62a_100000233755_100000747449 [0,1,0,0,0,0|1,0,1]=3 1525 B9R0.46 COCCSCC(=O)OC 62a_100000747449_100000233755 [0,1,0,0,0,0|1,0,1]=3 1526 B9R0.46 COCSCCC(=O)OC 62a_100000204255_100000766300 [0,1,0,0,0,0|1,0,2]=4 1527 B9R0.46 COCSCCC(=O)OC 62a_100000766300_100000204255 [0,1,0,0,0,0|1,0,2]=4 1528 B9R0.46 COCSCOC(=O)OC 62a_100000766300_100000139417 [0,1,0,0,0,0|2,0,1]=4 1529 B9R0.47 C/C=C/C=CC(=O)C(C)C 1458a_100000185730_100000210206 [0,1,0,0,0,0|1,0,2]=4 1530 B9R0.47 C/C=C/C=CC(=O)N(C)C 11a_100102631434_100000185730 [0,1,0,0,0,0|1,0,2]=4 1531 B9R0.47 C/C=C/C=CC(=O)N(C)C 1626a_100102631434_100000185730 [0,1,0,0,0,0|1,0,2]=4 1532 B9R0.47 C/C=C/C=CC(=O)N(C)C 240690a_100102631434_100000185730 [0,1,0,0,0,0|1,0,2]=4 1533 B9R0.47 C=C(C)C(=O)C/C=C\CC 1458a_100000185857_100103147603 [0,1,0,0,0,0|1,0,2]=4 1534 B9R0.47 C=C(C)C(=O)CCCCC 1458a_100000185857_100000210326 [0,1,0,0,0,0|1,0,2]=4 1535 B9R0.47 C=C(C)C(=O)NCCCC 11a_100000102301_100000185857 [0,1,0,0,0,0|2,0,1]=4 1536 B9R0.47 C=C(C)C(=O)NCCCC 1626a_100000102301_100000185857 [0,1,0,0,0,0|2,0,1]=4 1537 B9R0.47 C=C(C)C(=O)NNCCC 22a_100000740057_100000185857 [0,1,0,0,0,0|3,0,0]=4 1538 B9R0.47 CC/C=C/CC(=O)C(C)C 1458a_100016274230_100000210206 [0,1,0,0,0,0|1,0,2]=4 1539 B9R0.47 CC/C=C/CC(=O)N(C)C 11a_100102631434_100016274230 [0,1,0,0,0,0|1,0,2]=4 1540 B9R0.47 CC/C=C/CC(=O)N(C)C 1626a_100102631434_100016274230 [0,1,0,0,0,0|1,0,2]=4 1541 B9R0.47 CC/C=C/CC(=O)N(C)C 240690a_100102631434_100016274230 [0,1,0,0,0,0|1,0,2]=4 1542 B9R0.47 CC/C=C/CC(=O)N(C)C 527a_100102631434_100016274230 [0,1,0,0,0,0|1,0,2]=4 1543 B9R0.47 CC/C=C\CC(=O)C(C)C 1458a_100000210198_100103147603 [0,1,0,0,0,0|1,0,2]=4 1544 B9R0.47 CC/C=C\CC(=O)C(C)F 1458a_100000062450_100103147603 [0,1,0,0,0,0|1,0,2]=4 1545 B9R0.47 CC/C=C\CC(=O)[C@@H](C)O 1458a_100000717761_100103147603 [0,1,0,0,0,0|1,0,2]=4 1546 B9R0.47 CC/C=C\CC(=O)[C@H](C)O 1458a_217856618621_100103147603 [0,1,0,0,0,0|1,0,2]=4 1547 B9R0.47 CCCC#CC(=O)C(C)C 1458a_200011218047_100000210206 [0,1,0,0,0,0|1,0,2]=4 1548 B9R0.47 CCCC#CC(=O)N(C)C 240690a_100102631434_200011218047 [0,1,0,0,0,0|1,0,2]=4 1549 B9R0.47 CCCC=CC(=O)C(C)C 1458a_100000212230_100000210206 [0,1,0,0,0,0|1,0,0]=2 1550 B9R0.47 CCCC=CC(=O)N(C)C 11a_100102631434_100000212230 [0,1,0,0,0,0|1,0,0]=2 1551 B9R0.47 CCCC=CC(=O)N(C)C 1626a_100102631434_100000212230 [0,1,0,0,0,0|1,0,0]=2 1552 B9R0.47 CCCC=CC(=O)N(C)C 240690a_100102631434_100000212230 [0,1,0,0,0,0|1,0,0]=2 1553 B9R0.47 CCCCCC(=O)C(C)C 1458a_100000210198_100000210326 [0,1,0,0,0,0|1,0,2]=4 1554 B9R0.47 CCCCCC(=O)C(C)C 1458a_100000212188_100000210206 [0,1,0,0,0,0|1,0,2]=4 1555 B9R0.47 CCCCCC(=O)C(C)F 1458a_100000062450_100000210326 [0,1,0,0,0,0|1,0,2]=4 1556 B9R0.47 CCCCCC(=O)N(C)C 11a_100102631434_100000212188 [0,1,0,0,0,0|1,0,2]=4 1557 B9R0.47 CCCCCC(=O)N(C)C 1626a_100102631434_100000212188 [0,1,0,0,0,0|1,0,2]=4 1558 B9R0.47 CCCCCC(=O)N(C)C 240690a_100102631434_100000212188 [0,1,0,0,0,0|1,0,2]=4 1559 B9R0.47 CCCCCC(=O)N(C)C 527a_100102631434_100000212188 [0,1,0,0,0,0|1,0,2]=4 1560 B9R0.47 CCCCCC(=O)[C@@H](C)O 1458a_100000717761_100000210326 [0,1,0,0,0,0|1,0,2]=4 1561 B9R0.47 CCCCCC(=O)[C@H](C)O 1458a_217856618621_100000210326 [0,1,0,0,0,0|1,0,2]=4 1562 B9R0.47 CCCCNC(=O)C(C)C 11a_100000102301_100000210198 [0,1,0,0,0,0|2,0,1]=4 1563 B9R0.47 CCCCNC(=O)C(C)C 1626a_100000102301_100000210198 [0,1,0,0,0,0|2,0,1]=4 1564 B9R0.47 CCCCNC(=O)C(C)C 240690a_100000102301_100000210198 [0,1,0,0,0,0|2,0,1]=4 1565 B9R0.47 CCCCNC(=O)C(C)C 527a_100000102301_100000210198 [0,1,0,0,0,0|2,0,1]=4 1566 B9R0.47 CCCCNC(=O)C(C)F 11a_100000102301_100000062450 [0,1,0,0,0,0|2,0,1]=4 1567 B9R0.47 CCCCNC(=O)C(C)F 1626a_100000102301_100000062450 [0,1,0,0,0,0|2,0,1]=4 1568 B9R0.47 CCCCNC(=O)C(C)F 240690a_100000102301_100000062450 [0,1,0,0,0,0|2,0,1]=4 1569 B9R0.47 CCCCNC(=O)C(C)F 527a_100000102301_100000062450 [0,1,0,0,0,0|2,0,1]=4 1570 B9R0.47 CCCCNC(=O)N(C)C 2708a_100000102301_100102631434 [0,1,0,0,0,0|2,0,1]=4 1571 B9R0.47 CCCCNC(=O)[C@@H](C)O 240690a_100000102301_100000717761 [0,1,0,0,0,0|2,0,1]=4 1572 B9R0.47 CCCCNC(=O)[C@H](C)O 1626a_100000102301_217856618621 [0,1,0,0,0,0|2,0,1]=4 1573 B9R0.47 CCCCNC(=O)[C@H](C)O 240690a_100000102301_217856618621 [0,1,0,0,0,0|2,0,1]=4 1574 B9R0.47 CCCNCC(=O)N(C)C 2230a_100015183351_100000210303 [0,1,0,0,0,0|2,0,1]=4 1575 B9R0.47 CCCNNC(=O)C(C)C 22a_100000740057_100000210198 [0,1,0,0,0,0|3,0,0]=4 1576 B9R0.47 CCCNNC(=O)C(C)F 22a_100000740057_100000062450 [0,1,0,0,0,0|3,0,0]=4 1577 B9R0.47 CCCNNC(=O)[C@@H](C)O 22a_100000740057_100000717761 [0,1,0,0,0,0|3,0,0]=4 1578 B9R0.47 CCCNNC(=O)[C@H](C)O 22a_100000740057_217856618621 [0,1,0,0,0,0|3,0,0]=4 1579 B9R0.47 CCCOCC(=O)C(=O)C 34a_100000210258_100011261029 [0,1,0,0,0,0|2,0,1]=4 1580 B9R0.47 CCCOCC(=O)C(C)C 1458a_100000745993_100000210206 [0,1,0,0,0,0|2,0,1]=4 1581 B9R0.47 CCCOCC(=O)C(C)C 34a_100000210258_100000753385 [0,1,0,0,0,0|2,0,1]=4 1582 B9R0.47 CCCOCC(=O)N(C)C 11a_100102631434_100000745993 [0,1,0,0,0,0|2,0,1]=4 1583 B9R0.47 CCCOCC(=O)N(C)C 1626a_100102631434_100000745993 [0,1,0,0,0,0|2,0,1]=4 1584 B9R0.47 CCCOCC(=O)N(C)C 240690a_100102631434_100000745993 [0,1,0,0,0,0|2,0,1]=4 1585 B9R0.47 CCCOCC(=O)N(C)C 34a_100000210258_100000692301 [0,1,0,0,0,0|2,0,1]=4 1586 B9R0.47 CCCOCC(=O)N(C)C 527a_100102631434_100000745993 [0,1,0,0,0,0|2,0,1]=4 1587 B9R0.47 CCCSCC(=O)C(=O)C 62a_100000210303_100011261029 [0,1,0,0,0,0|2,0,1]=4 1588 B9R0.47 CCCSCC(=O)C(=O)C 62a_100011261029_100000210303 [0,1,0,0,0,0|2,0,1]=4 1589 B9R0.47 CCCSCC(=O)C(C)C 1458a_100000217233_100000210206 [0,1,0,0,0,0|2,0,1]=4 1590 B9R0.47 CCCSCC(=O)C(C)C 62a_100000210303_100000753385 [0,1,0,0,0,0|2,0,1]=4 1591 B9R0.47 CCCSCC(=O)C(C)C 62a_100000753385_100000210303 [0,1,0,0,0,0|2,0,1]=4 1592 B9R0.47 CCCSCC(=O)N(C)C 11a_100102631434_100000217233 [0,1,0,0,0,0|2,0,1]=4 1593 B9R0.47 CCCSCC(=O)N(C)C 1626a_100102631434_100000217233 [0,1,0,0,0,0|2,0,1]=4 1594 B9R0.47 CCCSCC(=O)N(C)C 240690a_100102631434_100000217233 [0,1,0,0,0,0|2,0,1]=4 1595 B9R0.47 CCCSCC(=O)N(C)C 527a_100102631434_100000217233 [0,1,0,0,0,0|2,0,1]=4 1596 B9R0.47 CCCSCC(=O)N(C)C 62a_100000210303_100000692301 [0,1,0,0,0,0|2,0,1]=4 1597 B9R0.47 CCCSCC(=O)N(C)C 62a_100000692301_100000210303 [0,1,0,0,0,0|2,0,1]=4 1598 B9R0.47 CCOC=CC(=O)C(C)C 1458a_100016266692_100000210206 [0,1,0,0,0,0|2,0,0]=3 1599 B9R0.47 CCOC=CC(=O)N(C)C 11a_100102631434_100016266692 [0,1,0,0,0,0|2,0,0]=3 1600 B9R0.47 CCOC=CC(=O)N(C)C 1626a_100102631434_100016266692 [0,1,0,0,0,0|2,0,0]=3 1601 B9R0.47 CCOC=CC(=O)N(C)C 240690a_100102631434_100016266692 [0,1,0,0,0,0|2,0,0]=3 1602 B9R0.47 COCC=CC(=O)C(C)C 1458a_100016285016_100000210206 [0,1,0,0,0,0|2,0,0]=3 1603 B9R0.47 COCC=CC(=O)N(C)C 11a_100102631434_100016285016 [0,1,0,0,0,0|2,0,0]=3 1604 B9R0.47 COCC=CC(=O)N(C)C 1626a_100102631434_100016285016 [0,1,0,0,0,0|2,0,0]=3 1605 B9R0.47 COCC=CC(=O)N(C)C 240690a_100102631434_100016285016 [0,1,0,0,0,0|2,0,0]=3 1606 B9R1.2 COc1cccc(c1)C 34a_100000210337_200000210301 [0,0,0,1,0,0|1,0,2]=4 1607 B9R1.2 COc1cccc(c1)C 7a_100000210337_200000210301 [0,0,0,1,0,0|1,0,2]=4 1608 B9R1.2 COc1ccnc(c1)C 34a_100000688365_200000210301 [0,0,0,1,0,0|2,0,1]=4 1609 B9R1.2 Cc1cc(ccn1)O[13CH3] 34a_100000688365_200025704644 [0,0,0,1,0,0|2,0,1]=4 1610 B9R1.2 Cc1cccc(c1)O[13CH3] 34a_100000210337_200025704644 [0,0,0,1,0,0|1,0,2]=4 1611 B9R1.2 Cc1cccc(c1)O[13CH3] 7a_100000210337_200025704644 [0,0,0,1,0,0|1,0,2]=4 1612 B9R1.7 CCCN1CNC(=O)C1 2230a_200000708111_100000210303 [0,0,0,1,0,0|2,0,1]=4 1613 B9R1.7 CCCc1noc(n1)C 270196a_100011193412_100000070787 [0,0,0,1,0,0|3,0,0]=4 1614 B9R1.7 CCCc1noc(n1)O 270196a_100011193412_100015183105 [0,0,0,1,0,0|2,0,1]=4 1615 B9R1.7 CCOC1COC(=O)O1 34a_100121572206_100000032252 [0,0,0,1,0,0|2,0,1]=4 1616 B9R1.7 CCSC1COC(=O)O1 62a_100000210202_100000032252 [0,0,0,1,0,0|2,0,1]=4 1617 B9R1.7 CCSc1cc(on1)C 62a_100000210202_100000716708 [0,0,0,1,0,0|3,0,0]=4 1618 B9R1.7 CCSc1cc(on1)C 62a_100000716708_100000210202 [0,0,0,1,0,0|3,0,0]=4 1619 B9R1.7 CNCC1=CC(=O)OC1 34a_100102657272_100000716558 [0,0,0,1,0,0|1,0,0]=2 1620 B9R1.7 CNCC1COC(=O)O1 34a_100102657272_100000073702 [0,0,0,1,0,0|2,0,1]=4 1621 B9R1.7 CNC[C@H]1COC(=O)N1 2230a_106832991635_100015307671 [0,0,0,1,0,0|2,0,1]=4 1622 B9R1.7 CNC[C@H]1COC(=O)N1 34a_100102657272_100015307671 [0,0,0,1,0,0|2,0,1]=4 1623 B9R1.7 CNC[C@H]1COC(=O)N1 7a_106832991635_100015307671 [0,0,0,1,0,0|2,0,1]=4 1624 B9R1.7 CNCc1cc(on1)C 207a_100102657272_100011217994 [0,0,0,1,0,0|3,0,0]=4 1625 B9R1.7 CNCc1cc(on1)C 2230a_100000745230_200000210301 [0,0,0,1,0,0|3,0,0]=4 1626 B9R1.7 CNCc1cc(on1)C 2230a_106832991635_100000199038 [0,0,0,1,0,0|3,0,0]=4 1627 B9R1.7 CNCc1cc(on1)C 270004a_106832991635_100011217994 [0,0,0,1,0,0|3,0,0]=4 1628 B9R1.7 CNCc1cc(on1)C 34a_100000745230_200000210301 [0,0,0,1,0,0|3,0,0]=4 1629 B9R1.7 CNCc1cc(on1)C 34a_100102657272_100000199038 [0,0,0,1,0,0|3,0,0]=4 1630 B9R1.7 CNCc1cc(on1)C 7a_106832991635_100000199038 [0,0,0,1,0,0|3,0,0]=4 1631 B9R1.7 COCC1=CC(=O)OC1 34a_100138415774_100000716558 [0,0,0,1,0,0|1,0,0]=2 1632 B9R1.7 COCC1COC(=O)O1 34a_100138415774_100000073702 [0,0,0,1,0,0|2,0,1]=4 1633 B9R1.7 COC[C@H]1COC(=O)N1 34a_100138415774_100015307671 [0,0,0,1,0,0|2,0,1]=4 1634 B9R1.7 COCc1cc(on1)C 34a_100011216401_200000210301 [0,0,0,1,0,0|3,0,0]=4 1635 B9R1.7 COCc1cc(on1)C 34a_100138415774_100000199038 [0,0,0,1,0,0|3,0,0]=4 1636 B9R1.7 CSCC1=CC(=O)OC1 62a_100000716558_200000210301 [0,0,0,1,0,0|1,0,0]=2 1637 B9R1.7 CSCC1=CC(=O)OC1 62a_200000210301_100000716558 [0,0,0,1,0,0|1,0,0]=2 1638 B9R1.7 CSCC1COC(=O)O1 62a_100000073702_200000210301 [0,0,0,1,0,0|2,0,1]=4 1639 B9R1.7 CSCC1COC(=O)O1 62a_200000210301_100000073702 [0,0,0,1,0,0|2,0,1]=4 1640 B9R1.7 CSC[C@H]1COC(=O)N1 62a_100015307671_200000210301 [0,0,0,1,0,0|2,0,1]=4 1641 B9R1.7 CSC[C@H]1COC(=O)N1 62a_200000210301_100015307671 [0,0,0,1,0,0|2,0,1]=4 1642 B9R1.7 CSCc1cc(on1)C 62a_100000199038_200000210301 [0,0,0,1,0,0|3,0,0]=4 1643 B9R1.7 CSCc1cc(on1)C 62a_200000210301_100000199038 [0,0,0,1,0,0|3,0,0]=4 1644 B9R1.7 Cc1cc(no1)CN[13CH3] 2230a_100000745230_200025704644 [0,0,0,1,0,0|3,0,0]=4 1645 B9R1.7 Cc1cc(no1)CN[13CH3] 34a_100000745230_200025704644 [0,0,0,1,0,0|3,0,0]=4 1646 B9R1.7 Cc1cc(no1)CO[13CH3] 34a_100011216401_200025704644 [0,0,0,1,0,0|3,0,0]=4 1647 B9R1.7 Cc1cc(no1)CS[13CH3] 62a_100000199038_200025704644 [0,0,0,1,0,0|3,0,0]=4 1648 B9R1.7 Cc1cc(no1)CS[13CH3] 62a_200025704644_100000199038 [0,0,0,1,0,0|3,0,0]=4 1649 B9R1.7 [13CH3]SCC1=CC(=O)OC1 62a_100000716558_200025704644 [0,0,0,1,0,0|1,0,0]=2 1650 B9R1.7 [13CH3]SCC1=CC(=O)OC1 62a_200025704644_100000716558 [0,0,0,1,0,0|1,0,0]=2 1651 B9R1.7 [13CH3]SCC1COC(=O)O1 62a_100000073702_200025704644 [0,0,0,1,0,0|2,0,1]=4 1652 B9R1.7 [13CH3]SCC1COC(=O)O1 62a_200025704644_100000073702 [0,0,0,1,0,0|2,0,1]=4 1653 B9R1.7 [13CH3]SC[C@H]1COC(=O)N1 62a_100015307671_200025704644 [0,0,0,1,0,0|2,0,1]=4 1654 B9R1.7 [13CH3]SC[C@H]1COC(=O)N1 62a_200025704644_100015307671 [0,0,0,1,0,0|2,0,1]=4 1655 B9R1.11 CCC(=O)C1=CCCC1 1458a_100000038896_100000210202 [0,0,0,1,0,0|1,0,0]=2 1656 B9R1.11 CCC(=O)C1=CCOC1 1458a_100000139269_100000210202 [0,0,0,1,0,0|2,0,0]=3 1657 B9R1.11 CCC(=O)C1=COCC1 1458a_100000750620_100000210202 [0,0,0,1,0,0|2,0,0]=3 1658 B9R1.11 CCC(=O)C1CCCC1 1458a_100000210414_100000179811 [0,0,0,1,0,0|1,0,2]=4 1659 B9R1.11 CCC(=O)C1CCCC1 1458a_100000210718_100000210202 [0,0,0,1,0,0|1,0,2]=4 1660 B9R1.11 CCC(=O)C1CCCS1 1458a_100012002731_100000210202 [0,0,0,1,0,0|2,0,1]=4 1661 B9R1.11 CCC(=O)N1CCCC1 240690a_100000188435_100000210414 [0,0,0,1,0,0|2,0,1]=4 1662 B9R1.11 CCC(=O)N1CCCC1 527a_100000188435_100000210414 [0,0,0,1,0,0|2,0,1]=4 1663 B9R1.11 CCC(=O)[C@@H]1CCCO1 1458a_100000686382_100000210202 [0,0,0,1,0,0|2,0,1]=4 1664 B9R1.11 CNC(=O)C1=CCCC1 11a_106832991635_100000038896 [0,0,0,1,0,0|1,0,0]=2 1665 B9R1.11 CNC(=O)C1=CCCC1 1626a_100102657272_100000038896 [0,0,0,1,0,0|1,0,0]=2 1666 B9R1.11 CNC(=O)C1=CCCC1 240690a_100102657272_100000038896 [0,0,0,1,0,0|1,0,0]=2 1667 B9R1.11 CNC(=O)C1=CCOC1 11a_106832991635_100000139269 [0,0,0,1,0,0|2,0,0]=3 1668 B9R1.11 CNC(=O)C1=CCOC1 1626a_100102657272_100000139269 [0,0,0,1,0,0|2,0,0]=3 1669 B9R1.11 CNC(=O)C1=CCOC1 240690a_100102657272_100000139269 [0,0,0,1,0,0|2,0,0]=3 1670 B9R1.11 CNC(=O)C1=COCC1 1626a_100102657272_100000750620 [0,0,0,1,0,0|2,0,0]=3 1671 B9R1.11 CNC(=O)C1=COCC1 240690a_100102657272_100000750620 [0,0,0,1,0,0|2,0,0]=3 1672 B9R1.11 CNC(=O)C1CCCC1 11a_106832991635_100000210718 [0,0,0,1,0,0|1,0,2]=4 1673 B9R1.11 CNC(=O)C1CCCC1 1626a_100102657272_100000210718 [0,0,0,1,0,0|1,0,2]=4 1674 B9R1.11 CNC(=O)C1CCCC1 240690a_100102657272_100000210718 [0,0,0,1,0,0|1,0,2]=4 1675 B9R1.11 CNC(=O)C1CCCC1 527a_100102657272_100000210718 [0,0,0,1,0,0|1,0,2]=4 1676 B9R1.11 CNC(=O)C1CCCS1 11a_106832991635_100012002731 [0,0,0,1,0,0|2,0,1]=4 1677 B9R1.11 CNC(=O)C1CCCS1 1626a_100102657272_100012002731 [0,0,0,1,0,0|2,0,1]=4 1678 B9R1.11 CNC(=O)C1CCCS1 240690a_100102657272_100012002731 [0,0,0,1,0,0|2,0,1]=4 1679 B9R1.11 CNC(=O)C1CCCS1 527a_100102657272_100012002731 [0,0,0,1,0,0|2,0,1]=4 1680 B9R1.11 CNC(=O)N1CCCC1 2708a_100102657272_100000188435 [0,0,0,1,0,0|2,0,1]=4 1681 B9R1.11 CNC(=O)N1CCCC1 273464a_100102657272_100000188435 [0,0,0,1,0,0|2,0,1]=4 1682 B9R1.11 CNC(=O)[C@@H]1CCCO1 11a_106832991635_100000686382 [0,0,0,1,0,0|2,0,1]=4 1683 B9R1.11 CNC(=O)[C@@H]1CCCO1 1626a_100102657272_100000686382 [0,0,0,1,0,0|2,0,1]=4 1684 B9R1.11 CNC(=O)[C@@H]1CCCO1 240690a_100102657272_100000686382 [0,0,0,1,0,0|2,0,1]=4 1685 B9R1.11 CNC(=O)[C@@H]1CCCO1 527a_100102657272_100000686382 [0,0,0,1,0,0|2,0,1]=4 1686 B9R1.11 O=C(CF)C1=CCCC1 1458a_100000038896_100015361967 [0,0,0,1,0,0|2,0,0]=3 1687 B9R1.11 O=C(CF)C1=CCOC1 1458a_100000139269_100015361967 [0,0,0,1,0,0|3,0,0]=4 1688 B9R1.11 O=C(CF)C1=COCC1 1458a_100000750620_100015361967 [0,0,0,1,0,0|3,0,0]=4 1689 B9R1.21 CCc1ccc(s1)SC 62a_100009844052_200000210301 [0,0,0,1,0,0|0,2,1]=4 1690 B9R1.21 CCc1ccc(s1)SC 62a_200000210301_100009844052 [0,0,0,1,0,0|0,2,1]=4 1691 B9R1.21 CCc1ccc(s1)S[13CH3] 62a_100009844052_200025704644 [0,0,0,1,0,0|0,2,1]=4 1692 B9R1.21 CCc1ccc(s1)S[13CH3] 62a_200025704644_100009844052 [0,0,0,1,0,0|0,2,1]=4 1693 B9R1.21 CCn1cc(cn1)OC 34a_100000708037_200000210301 [0,0,0,1,0,0|3,0,0]=4 1694 B9R1.21 CCn1cc(cn1)O[13CH3] 34a_100000708037_200025704644 [0,0,0,1,0,0|3,0,0]=4 1695 B9R1.21 CCn1ccc(n1)SC 62a_100012350556_200000210301 [0,0,0,1,0,0|2,1,0]=4 1696 B9R1.21 CCn1ccc(n1)SC 62a_200000210301_100012350556 [0,0,0,1,0,0|2,1,0]=4 1697 B9R1.21 CCn1ccc(n1)S[13CH3] 62a_100012350556_200025704644 [0,0,0,1,0,0|2,1,0]=4 1698 B9R1.21 CCn1ccc(n1)S[13CH3] 62a_200025704644_100012350556 [0,0,0,1,0,0|2,1,0]=4 1699 B9R1.39 CCCOC1CCC1=O 34a_100000210258_100009892977 [0,0,0,1,0,0|2,0,1]=4 1700 B9R1.39 CCCSC1CCC1=O 62a_100000210303_100009892977 [0,0,0,1,0,0|2,0,1]=4 1701 B9R1.39 CCCSC1CCC1=O 62a_100009892977_100000210303 [0,0,0,1,0,0|2,0,1]=4 1702 B9R1.79 CCC(=O)C=C1CCC1 1458a_100000686340_100000210202 [0,0,0,1,0,0|1,0,0]=2 1703 B9R1.79 CCC(=O)CC1CCC1 1458a_100000210414_100000763275 [0,0,0,1,0,0|1,0,2]=4 1704 B9R1.79 CCC(=O)CC1CCC1 1458a_100000763092_100000210202 [0,0,0,1,0,0|1,0,2]=4 1705 B9R1.79 CCC(=O)CN1CCC1 269982a_100000754969_100000747405 [0,0,0,1,0,0|2,0,1]=4 1706 B9R1.79 CCC(=O)NC1CCC1 11a_100000749019_100000210414 [0,0,0,1,0,0|2,0,1]=4 1707 B9R1.79 CCC(=O)NC1CCC1 1626a_100000749019_100000210414 [0,0,0,1,0,0|2,0,1]=4 1708 B9R1.79 CCC(=O)NC1CCC1 240690a_100000749019_100000210414 [0,0,0,1,0,0|2,0,1]=4 1709 B9R1.79 CCC(=O)NC1CCC1 527a_100000749019_100000210414 [0,0,0,1,0,0|2,0,1]=4 1710 B9R1.79 CNC(=O)C=C1CCC1 11a_106832991635_100000686340 [0,0,0,1,0,0|1,0,0]=2 1711 B9R1.79 CNC(=O)C=C1CCC1 240690a_100102657272_100000686340 [0,0,0,1,0,0|1,0,0]=2 1712 B9R1.79 CNC(=O)CC1CCC1 11a_106832991635_100000763092 [0,0,0,1,0,0|1,0,2]=4 1713 B9R1.79 CNC(=O)CC1CCC1 1626a_100102657272_100000763092 [0,0,0,1,0,0|1,0,2]=4 1714 B9R1.79 CNC(=O)CC1CCC1 240690a_100102657272_100000763092 [0,0,0,1,0,0|1,0,2]=4 1715 B9R1.79 CNC(=O)CC1CCC1 527a_100102657272_100000763092 [0,0,0,1,0,0|1,0,2]=4 1716 B9R1.79 CNC(=O)CN1CCC1 269982a_100000754969_100000183359 [0,0,0,1,0,0|2,0,1]=4 1717 B9R1.79 CNC(=O)NC1CCC1 2708a_100102657272_100000749019 [0,0,0,1,0,0|2,0,1]=4 1718 B9R1.79 CNC(=O)NC1CCC1 273464a_100000749019_100102657272 [0,0,0,1,0,0|2,0,1]=4 1719 B9R1.79 CNC(=O)NC1CCC1 273464a_100102657272_100000749019 [0,0,0,1,0,0|2,0,1]=4 1720 B9R1.79 CNC(=O)NC1CCC1 512a_100000749019_100102657272 [0,0,0,1,0,0|2,0,1]=4 1721 B9R1.79 CNC(=O)NC1CCC1 512a_106832991638_100000749019 [0,0,0,1,0,0|2,0,1]=4 1722 B9R1.79 COC(=O)CN1CCC1 269982a_100000754969_100000747449 [0,0,0,1,0,0|1,0,1]=3 1723 B9R1.79 O=C(C=C1CCC1)CF 1458a_100000686340_100015361967 [0,0,0,1,0,0|2,0,0]=3 1724 B9R1.80 CCC(=O)C=CC1CC1 1458a_100102529529_100000210202 [0,0,0,1,0,0|1,0,0]=2 1725 B9R1.80 CCC(=O)CCC1CC1 1458a_100000210414_100000694398 [0,0,0,1,0,0|1,0,2]=4 1726 B9R1.80 CCC(=O)CCC1CC1 1458a_100000756386_100000210202 [0,0,0,1,0,0|1,0,2]=4 1727 B9R1.80 CCC(=O)COC1CC1 34a_100000725409_100000211595 [0,0,0,1,0,0|2,0,1]=4 1728 B9R1.80 CCC(=O)CSC1CC1 62a_100000747405_100000211595 [0,0,0,1,0,0|2,0,1]=4 1729 B9R1.80 CCC(=O)NCC1CC1 11a_100000735609_100000210414 [0,0,0,1,0,0|2,0,1]=4 1730 B9R1.80 CCC(=O)NCC1CC1 1626a_100000735609_100000210414 [0,0,0,1,0,0|2,0,1]=4 1731 B9R1.80 CCC(=O)NCC1CC1 240690a_100000735609_100000210414 [0,0,0,1,0,0|2,0,1]=4 1732 B9R1.80 CCC(=O)NCC1CC1 527a_100000735609_100000210414 [0,0,0,1,0,0|2,0,1]=4 1733 B9R1.80 CCC(=O)NNC1CC1 22a_100000701032_100000210414 [0,0,0,1,0,0|3,0,0]=4 1734 B9R1.80 CNC(=O)C=CC1CC1 11a_106832991635_100102529529 [0,0,0,1,0,0|1,0,0]=2 1735 B9R1.80 CNC(=O)C=CC1CC1 1626a_100102657272_100102529529 [0,0,0,1,0,0|1,0,0]=2 1736 B9R1.80 CNC(=O)C=CC1CC1 240690a_100102657272_100102529529 [0,0,0,1,0,0|1,0,0]=2 1737 B9R1.80 CNC(=O)CCC1CC1 11a_106832991635_100000756386 [0,0,0,1,0,0|1,0,2]=4 1738 B9R1.80 CNC(=O)CCC1CC1 1626a_100102657272_100000756386 [0,0,0,1,0,0|1,0,2]=4 1739 B9R1.80 CNC(=O)CCC1CC1 240690a_100102657272_100000756386 [0,0,0,1,0,0|1,0,2]=4 1740 B9R1.80 CNC(=O)CCC1CC1 527a_100102657272_100000756386 [0,0,0,1,0,0|1,0,2]=4 1741 B9R1.80 CNC(=O)CNC1CC1 34a_100000212008_100000183359 [0,0,0,1,0,0|2,0,1]=4 1742 B9R1.80 CNC(=O)COC1CC1 34a_100000750040_100000211595 [0,0,0,1,0,0|2,0,1]=4 1743 B9R1.80 CNC(=O)CSC1CC1 62a_100000183359_100000211595 [0,0,0,1,0,0|2,0,1]=4 1744 B9R1.80 CNC(=O)NCC1CC1 2708a_100000735609_106832991635 [0,0,0,1,0,0|2,0,1]=4 1745 B9R1.80 CNC(=O)NCC1CC1 2708a_100102657272_100000735609 [0,0,0,1,0,0|2,0,1]=4 1746 B9R1.80 CNC(=O)NCC1CC1 273464a_100000735609_100102657272 [0,0,0,1,0,0|2,0,1]=4 1747 B9R1.80 CNC(=O)NCC1CC1 273464a_100102657272_100000735609 [0,0,0,1,0,0|2,0,1]=4 1748 B9R1.80 CNC(=O)NCC1CC1 512a_100000735609_100102657272 [0,0,0,1,0,0|2,0,1]=4 1749 B9R1.80 CNC(=O)NCC1CC1 512a_106832991638_100000735609 [0,0,0,1,0,0|2,0,1]=4 1750 B9R1.80 CNC(=O)NNC1CC1 273464a_100102657272_100000701032 [0,0,0,1,0,0|3,0,0]=4 1751 B9R1.80 CNC(=O)NNC1CC1 512a_100000701032_100102657272 [0,0,0,1,0,0|3,0,0]=4 1752 B9R1.80 CNC(=O)NNC1CC1 512a_106832991638_100000701032 [0,0,0,1,0,0|3,0,0]=4 1753 B9R1.80 COC(=O)CNC1CC1 34a_100000212008_100000747449 [0,0,0,1,0,0|1,0,1]=3 1754 B9R1.80 COC(=O)CSC1CC1 62a_100000747449_100000211595 [0,0,0,1,0,0|1,0,1]=3 1755 B9R1.80 O=C(C=CC1CC1)CF 1458a_100102529529_100015361967 [0,0,0,1,0,0|2,0,0]=3 1756 B9R1.81 CCC(=O)N1CCC1C 11a_100000755817_100000210414 [0,0,0,1,0,0|2,0,1]=4 1757 B9R1.81 CCC(=O)N1CCC1C 240690a_100000755817_100000210414 [0,0,0,1,0,0|2,0,1]=4 1758 B9R1.81 CCC(=O)N1CCC1C 527a_100000755817_100000210414 [0,0,0,1,0,0|2,0,1]=4 1759 B9R1.81 CNC(=O)N1CCC1C 2708a_100102657272_100000755817 [0,0,0,1,0,0|2,0,1]=4 1760 B9R1.81 CNC(=O)N1CCC1C 273464a_100102657272_100000755817 [0,0,0,1,0,0|2,0,1]=4 1761 B9R1.81 COC(=O)[C@@H]1CCN1C 2230a_102516456887_200000210301 [0,0,0,1,0,0|1,0,2]=4 1762 B9R1.81 COC(=O)[C@@H]1CCN1C 269982a_102516456887_200000210301 [0,0,0,1,0,0|1,0,2]=4 1763 B9R1.81 COC(=O)[C@@H]1CCN1[13CH3] 2230a_102516456887_200025704644 [0,0,0,1,0,0|1,0,2]=4 1764 B9R1.81 COC(=O)[C@@H]1CCN1[13CH3] 269982a_102516456887_200025704644 [0,0,0,1,0,0|1,0,2]=4 1765 B9R1.88 CCC(=O)C1CC1CC 1458a_200011661523_100000210202 [0,0,0,1,0,0|1,0,2]=4 1766 B9R1.88 CCC1CC1C(=O)NC 11a_106832991635_200011661523 [0,0,0,1,0,0|1,0,2]=4 1767 B9R1.88 CCC1CC1C(=O)NC 1626a_100102657272_200011661523 [0,0,0,1,0,0|1,0,2]=4 1768 B9R1.88 CCC1CC1C(=O)NC 240690a_100102657272_200011661523 [0,0,0,1,0,0|1,0,2]=4 1769 B9R1.88 CCC1CC1C(=O)NC 527a_100102657272_200011661523 [0,0,0,1,0,0|1,0,2]=4 1770 B9R1.88 CCN1CC1C(=O)OC 2230a_200009830135_100000210202 [0,0,0,1,0,0|1,0,2]=4 1771 B6R0.6 C/C=C/CCOC 34a_100016278192_200000210301 [2,0,0,0,0,0|1,0,1]=4 1772 B6R0.6 C/C=C/CCO[13CH3] 34a_100016278192_200025704644 [2,0,0,0,0,0|1,0,1]=4 1773 B6R0.6 C/C=C/COCC 34a_100016270725_100000210202 [2,0,0,0,0,0|1,0,1]=4 1774 B6R0.6 C/C=C/COCC 34a_100121572206_100102629194 [2,0,0,0,0,0|1,0,1]=4 1775 B6R0.6 C/C=C/CSCC 62a_100000210202_100102629194 [2,0,0,0,0,0|1,0,1]=4 1776 B6R0.6 C/C=C/CSCC 62a_100102629194_100000210202 [2,0,0,0,0,0|1,0,1]=4 1777 B6R0.6 CC/C=C\CNC 2230a_106832991635_100103147603 [2,0,0,0,0,0|1,0,1]=4 1778 B6R0.6 CC/C=C\CNC 34a_100102657272_100103147603 [2,0,0,0,0,0|1,0,1]=4 1779 B6R0.6 CC/C=C\CNC 7a_106832991635_100103147603 [2,0,0,0,0,0|1,0,1]=4 1780 B6R0.6 CC/C=C\COC 34a_100016268518_200000210301 [2,0,0,0,0,0|0,0,1]=3 1781 B6R0.6 CC/C=C\COC 34a_100138415774_100103147603 [2,0,0,0,0,0|0,0,1]=3 1782 B6R0.6 CC/C=C\CO[13CH3] 34a_100016268518_200025704644 [2,0,0,0,0,0|0,0,1]=3 1783 B6R0.6 CC/C=C\CSC 62a_100103147603_200000210301 [2,0,0,0,0,0|0,1,1]=4 1784 B6R0.6 CC/C=C\CSC 62a_200000210301_100103147603 [2,0,0,0,0,0|0,1,1]=4 1785 B6R0.6 CC/C=C\CS[13CH3] 62a_100103147603_200025704644 [2,0,0,0,0,0|0,1,1]=4 1786 B6R0.6 CC/C=C\CS[13CH3] 62a_200025704644_100103147603 [2,0,0,0,0,0|0,1,1]=4 1787 B6R0.6 CC=CCNCC 2230a_100015525214_100000070051 [2,0,0,0,0,0|1,0,1]=4 1788 B6R0.6 CC=CCOCC 34a_100121572206_100000070051 [2,0,0,0,0,0|1,0,1]=4 1789 B6R0.6 CC=CCSCC 62a_100000070051_100000210202 [2,0,0,0,0,0|1,0,1]=4 1790 B6R0.6 CC=CCSCC 62a_100000210202_100000070051 [2,0,0,0,0,0|1,0,1]=4 1791 B6R0.6 CC=NNCCC 4a_100000740057_200000210099 [2,0,0,0,0,0|2,0,0]=4 1792 B6R0.6 CCCCCOC 34a_100000210253_200000210301 [2,0,0,0,0,0|0,0,2]=4 1793 B6R0.6 CCCCCOC 34a_100138415774_100000718602 [2,0,0,0,0,0|0,0,2]=4 1794 B6R0.6 CCCCCOC 7a_100000210253_200000210301 [2,0,0,0,0,0|0,0,2]=4 1795 B6R0.6 CCCCCO[13CH3] 34a_100000210253_200025704644 [2,0,0,0,0,0|0,0,2]=4 1796 B6R0.6 CCCCCO[13CH3] 7a_100000210253_200025704644 [2,0,0,0,0,0|0,0,2]=4 1797 B6R0.6 CCCOCC=O 34a_100000210258_200009817547 [2,0,0,0,0,0|1,0,1]=4 1798 B6R0.6 CCCSCC=O 62a_100000210303_200015260668 [2,0,0,0,0,0|1,0,1]=4 1799 B6R0.6 CCCSCC=O 62a_200015260668_100000210303 [2,0,0,0,0,0|1,0,1]=4 1800 B6R0.6 CCCSCOC 62a_100000210303_100000766300 [2,0,0,0,0,0|1,0,1]=4 1801 B6R0.6 CCCSCOC 62a_100000766300_100000210303 [2,0,0,0,0,0|1,0,1]=4 1802 B6R0.1 C#CC(=O)CCC 1458a_100000211873_100000210303 [2,0,0,0,0,0|1,0,1]=4 1803 B6R0.1 C/C=C/C(C)OC 34a_200102604097_200000210301 [2,0,0,0,0,0|1,0,1]=4 1804 B6R0.1 C/C=C/C(C)O[13CH3] 34a_200102604097_200025704644 [2,0,0,0,0,0|1,0,1]=4 1805 B6R0.1 C=CC(=O)CCC 1458a_100000185746_100000210303 [2,0,0,0,0,0|1,0,1]=4 1806 B6R0.1 CC=CC(=O)CC 1458a_100000210699_100000210202 [2,0,0,0,0,0|1,0,0]=3 1807 B6R0.1 CC=CC(=O)CF 1458a_100000210699_100015361967 [2,0,0,0,0,0|2,0,0]=4 1808 B6R0.1 CC=CC(=O)NC 11a_106832991635_100000210699 [2,0,0,0,0,0|1,0,0]=3 1809 B6R0.1 CC=CC(=O)NC 1626a_100102657272_100000210699 [2,0,0,0,0,0|1,0,0]=3 1810 B6R0.1 CC=CC(=O)NC 240690a_100102657272_100000210699 [2,0,0,0,0,0|1,0,0]=3 1811 B6R0.1 CCC(=O)C=CBr 1458a_100016273825_100000210202 [2,0,0,0,0,0|2,0,0]=4 1812 B6R0.1 CCC(=O)C=CCl 1458a_200016279998_100000210202 [2,0,0,0,0,0|2,0,0]=4 1813 B6R0.1 CCC(=O)C=CI 1458a_100016256311_100000210202 [2,0,0,0,0,0|2,0,0]=4 1814 B6R0.1 CCC(=O)CCF 1458a_100000210414_100011217306 [2,0,0,0,0,0|2,0,0]=4 1815 B6R0.1 CCC(=O)CCO 1458a_100000210414_100000211926 [2,0,0,0,0,0|2,0,0]=4 1816 B6R0.1 CCC(=O)CCO 1458a_100011216618_100000210202 [2,0,0,0,0,0|2,0,0]=4 1817 B6R0.1 CCC(=O)CNC 7a_106832991635_100000747405 [2,0,0,0,0,0|2,0,0]=4 1818 B6R0.1 CCC(=O)COC 1458a_100000210968_100000210202 [2,0,0,0,0,0|2,0,0]=4 1819 B6R0.1 CCC(=O)COC 34a_100000725409_200000210301 [2,0,0,0,0,0|2,0,0]=4 1820 B6R0.1 CCC(=O)CO[13CH3] 34a_100000725409_200025704644 [2,0,0,0,0,0|2,0,0]=4 1821 B6R0.1 CCC(=O)CSC 1458a_100000184570_100000210202 [2,0,0,0,0,0|2,0,0]=4 1822 B6R0.1 CCC(=O)CSC 62a_100000747405_200000210301 [2,0,0,0,0,0|2,0,0]=4 1823 B6R0.1 CCC(=O)CSC 62a_200000210301_100000747405 [2,0,0,0,0,0|2,0,0]=4 1824 B6R0.1 CCC(=O)CS[13CH3] 62a_100000747405_200025704644 [2,0,0,0,0,0|2,0,0]=4 1825 B6R0.1 CCC(=O)CS[13CH3] 62a_200025704644_100000747405 [2,0,0,0,0,0|2,0,0]=4 1826 B6R0.1 CCCC(=O)CC 1458a_100000210414_100000210303 [2,0,0,0,0,0|1,0,0]=3 1827 B6R0.1 CCCC(=O)CC 1458a_100000211992_100000210202 [2,0,0,0,0,0|1,0,0]=3 1828 B6R0.1 CCCC(=O)CF 1458a_100000211992_100015361967 [2,0,0,0,0,0|2,0,0]=4 1829 B6R0.1 CCCC(=O)CO 1458a_100000210174_100000210303 [2,0,0,0,0,0|2,0,0]=4 1830 B6R0.1 CCCC(=O)NC 11a_106832991635_100000211992 [2,0,0,0,0,0|1,0,0]=3 1831 B6R0.1 CCCC(=O)NC 1626a_100102657272_100000211992 [2,0,0,0,0,0|1,0,0]=3 1832 B6R0.1 CCCC(=O)NC 240690a_100102657272_100000211992 [2,0,0,0,0,0|1,0,0]=3 1833 B6R0.1 CCCC(=O)NC 527a_100102657272_100000211992 [2,0,0,0,0,0|1,0,0]=3 1834 B6R0.1 CCCC(C)OC 34a_100000764384_200000210301 [2,0,0,0,0,0|1,0,1]=4 1835 B6R0.1 CCCC(C)OC 34a_100138415774_100000766640 [2,0,0,0,0,0|1,0,1]=4 1836 B6R0.1 CCCC(C)OC 7a_100000764384_200000210301 [2,0,0,0,0,0|1,0,1]=4 1837 B6R0.1 CCCC(C)O[13CH3] 34a_100000764384_200025704644 [2,0,0,0,0,0|1,0,1]=4 1838 B6R0.1 CCCC(C)O[13CH3] 7a_100000764384_200025704644 [2,0,0,0,0,0|1,0,1]=4 1839 B6R0.1 CCNC(=O)CC 11a_100015525214_100000210414 [2,0,0,0,0,0|2,0,0]=4 1840 B6R0.1 CCNC(=O)CC 240690a_100015525214_100000210414 [2,0,0,0,0,0|2,0,0]=4 1841 B6R0.1 CCNC(=O)CC 527a_100015525214_100000210414 [2,0,0,0,0,0|2,0,0]=4 1842 B6R0.1 CCNC(=O)NC 2708a_100015525214_106832991635 [2,0,0,0,0,0|2,0,0]=4 1843 B6R0.1 CCNC(=O)NC 2708a_100102657272_100015525214 [2,0,0,0,0,0|2,0,0]=4 1844 B6R0.1 CCNC(=O)NC 273464a_100015525214_100102657272 [2,0,0,0,0,0|2,0,0]=4 1845 B6R0.1 CCNC(=O)NC 273464a_100102657272_100015525214 [2,0,0,0,0,0|2,0,0]=4 1846 B6R0.1 CCNC(=O)NC 512a_100015525214_100102657272 [2,0,0,0,0,0|2,0,0]=4 1847 B6R0.1 CCNC(=O)NC 512a_106832991638_100015525214 [2,0,0,0,0,0|2,0,0]=4 1848 B6R0.1 CNC(=O)C=CBr 1626a_100102657272_100016273825 [2,0,0,0,0,0|2,0,0]=4 1849 B6R0.1 CNC(=O)C=CBr 240690a_100102657272_100016273825 [2,0,0,0,0,0|2,0,0]=4 1850 B6R0.1 CNC(=O)C=CCl 11a_106832991635_200016279998 [2,0,0,0,0,0|2,0,0]=4 1851 B6R0.1 CNC(=O)C=CCl 1626a_100102657272_200016279998 [2,0,0,0,0,0|2,0,0]=4 1852 B6R0.1 CNC(=O)C=CCl 240690a_100102657272_200016279998 [2,0,0,0,0,0|2,0,0]=4 1853 B6R0.1 CNC(=O)C=CI 1626a_100102657272_100016256311 [2,0,0,0,0,0|2,0,0]=4 1854 B6R0.1 CNC(=O)CCO 240690a_100102657272_100011216618 [2,0,0,0,0,0|2,0,0]=4 1855 B6R0.1 CNC(=O)CN[13CH3] 2230a_100000693194_200025704644 [2,0,0,0,0,0|2,0,0]=4 1856 B6R0.1 CNC(=O)COC 11a_106832991635_100000210968 [2,0,0,0,0,0|2,0,0]=4 1857 B6R0.1 CNC(=O)COC 1626a_100102657272_100000210968 [2,0,0,0,0,0|2,0,0]=4 1858 B6R0.1 CNC(=O)COC 240690a_100102657272_100000210968 [2,0,0,0,0,0|2,0,0]=4 1859 B6R0.1 CNC(=O)COC 34a_100000750040_200000210301 [2,0,0,0,0,0|2,0,0]=4 1860 B6R0.1 CNC(=O)COC 34a_100138415774_100000183359 [2,0,0,0,0,0|2,0,0]=4 1861 B6R0.1 CNC(=O)COC 527a_100102657272_100000210968 [2,0,0,0,0,0|2,0,0]=4 1862 B6R0.1 CNC(=O)CO[13CH3] 34a_100000750040_200025704644 [2,0,0,0,0,0|2,0,0]=4 1863 B6R0.1 CNC(=O)CSC 11a_106832991635_100000184570 [2,0,0,0,0,0|2,0,0]=4 1864 B6R0.1 CNC(=O)CSC 1626a_100102657272_100000184570 [2,0,0,0,0,0|2,0,0]=4 1865 B6R0.1 CNC(=O)CSC 240690a_100102657272_100000184570 [2,0,0,0,0,0|2,0,0]=4 1866 B6R0.1 CNC(=O)CSC 527a_100102657272_100000184570 [2,0,0,0,0,0|2,0,0]=4 1867 B6R0.1 CNC(=O)CSC 62a_100000183359_200000210301 [2,0,0,0,0,0|2,0,0]=4 1868 B6R0.1 CNC(=O)CSC 62a_200000210301_100000183359 [2,0,0,0,0,0|2,0,0]=4 1869 B6R0.1 CNC(=O)CS[13CH3] 62a_100000183359_200025704644 [2,0,0,0,0,0|2,0,0]=4 1870 B6R0.1 CNC(=O)CS[13CH3] 62a_200025704644_100000183359 [2,0,0,0,0,0|2,0,0]=4 1871 B6R0.1 CNCC(=O)NC 2230a_100000693194_200000210301 [2,0,0,0,0,0|2,0,0]=4 1872 B6R0.1 CNCC(=O)NC 2230a_106832991635_100000183359 [2,0,0,0,0,0|2,0,0]=4 1873 B6R0.1 CNCC(=O)NC 34a_100102657272_100000183359 [2,0,0,0,0,0|2,0,0]=4 1874 B6R0.1 CNCC(=O)NC 7a_106832991635_100000183359 [2,0,0,0,0,0|2,0,0]=4 1875 B6R0.1 CNCC(=O)OC 2230a_106832991635_100000747449 [2,0,0,0,0,0|1,0,0]=3 1876 B6R0.1 CNCC(=O)OC 34a_100102657272_100000747449 [2,0,0,0,0,0|1,0,0]=3 1877 B6R0.1 CNCC(=O)OC 7a_106832991635_100000747449 [2,0,0,0,0,0|1,0,0]=3 1878 B6R0.1 COC(=O)CSC 62a_100000747449_200000210301 [2,0,0,0,0,0|1,0,0]=3 1879 B6R0.1 COC(=O)CSC 62a_200000210301_100000747449 [2,0,0,0,0,0|1,0,0]=3 1880 B6R0.1 COC(=O)CS[13CH3] 62a_100000747449_200025704644 [2,0,0,0,0,0|1,0,0]=3 1881 B6R0.1 COC(=O)CS[13CH3] 62a_200025704644_100000747449 [2,0,0,0,0,0|1,0,0]=3 1882 B6R0.1 COCC(=O)OC 34a_100138415774_100000747449 [2,0,0,0,0,0|1,0,0]=3 1883 B6R0.4 C/C=C/CC(=O)C 1458a_100000070787_100102629194 [2,0,0,0,0,0|0,0,2]=4 1884 B6R0.4 C=CC=CC(=O)C 1458a_100016291481_200000210301 [2,0,0,0,0,0|0,0,2]=4 1885 B6R0.4 C=CC=CC(=O)[13CH3] 1458a_100016291481_200025704644 [2,0,0,0,0,0|0,0,2]=4 1886 B6R0.4 CC(=CCN[13CH3])C 34a_100000718196_200025704644 [2,0,0,0,0,0|2,0,0]=4 1887 B6R0.4 CC(=CCO[13CH3])C 34a_100000753907_200025704644 [2,0,0,0,0,0|2,0,0]=4 1888 B6R0.4 CC(=CCS[13CH3])C 62a_100000761012_200025704644 [2,0,0,0,0,0|2,0,0]=4 1889 B6R0.4 CC(=CCS[13CH3])C 62a_200025704644_100000761012 [2,0,0,0,0,0|2,0,0]=4 1890 B6R0.4 CC(=O)CCCF 1458a_100000070787_100011934791 [2,0,0,0,0,0|1,0,1]=4 1891 B6R0.4 CC(=O)CCCO 1458a_100000070787_100011215043 [2,0,0,0,0,0|1,0,1]=4 1892 B6R0.4 CC(=O)CCO[13CH3] 34a_100000759926_200025704644 [2,0,0,0,0,0|1,0,1]=4 1893 B6R0.4 CC(=O)CCO[13CH3] 7a_100000759926_200025704644 [2,0,0,0,0,0|1,0,1]=4 1894 B6R0.4 CC(=O)CCS[13CH3] 62a_100000053229_200025704644 [2,0,0,0,0,0|1,0,1]=4 1895 B6R0.4 CC(=O)CCS[13CH3] 62a_200025704644_100000053229 [2,0,0,0,0,0|1,0,1]=4 1896 B6R0.4 CC(=O)NCCF 11a_100000724931_100015343762 [2,0,0,0,0,0|2,0,0]=4 1897 B6R0.4 CC(=O)NCCF 1626a_100000724931_100015343762 [2,0,0,0,0,0|2,0,0]=4 1898 B6R0.4 CC(=O)NCCF 240690a_100000724931_100015343762 [2,0,0,0,0,0|2,0,0]=4 1899 B6R0.4 CC(=O)NCCF 527a_100000724931_100103153847 [2,0,0,0,0,0|2,0,0]=4 1900 B6R0.4 CC(=O)NCCO 240690a_100000210304_100015343762 [2,0,0,0,0,0|2,0,0]=4 1901 B6R0.4 CC(=O)NCCO 527a_100000210304_100103153847 [2,0,0,0,0,0|2,0,0]=4 1902 B6R0.4 CC(=O)OCS[13CH3] 62a_100000076356_200025704644 [2,0,0,0,0,0|2,0,0]=4 1903 B6R0.4 CC(=O)OCS[13CH3] 62a_200025704644_100000076356 [2,0,0,0,0,0|2,0,0]=4 1904 B6R0.4 CC=CCC(=O)C 1458a_100000070787_100000070051 [2,0,0,0,0,0|0,0,2]=4 1905 B6R0.4 CC=CCC(=O)C 1458a_100121576822_200000210301 [2,0,0,0,0,0|0,0,2]=4 1906 B6R0.4 CC=CCC(=O)[13CH3] 1458a_100121576822_200025704644 [2,0,0,0,0,0|0,0,2]=4 1907 B6R0.4 CCC#CC(=O)C 1458a_100011827653_200000210301 [2,0,0,0,0,0|0,0,2]=4 1908 B6R0.4 CCC#CC(=O)[13CH3] 1458a_100011827653_200025704644 [2,0,0,0,0,0|0,0,2]=4 1909 B6R0.4 CCC=CC(=O)C 1458a_100000212282_200000210301 [2,0,0,0,0,0|0,0,0]=2 1910 B6R0.4 CCC=CC(=O)[13CH3] 1458a_100000212282_200025704644 [2,0,0,0,0,0|0,0,0]=2 1911 B6R0.4 CCCCC(=O)C 1458a_100000070787_100000210211 [2,0,0,0,0,0|0,0,1]=3 1912 B6R0.4 CCCCC(=O)C 1458a_100000210183_200000210301 [2,0,0,0,0,0|0,0,1]=3 1913 B6R0.4 CCCCC(=O)[13CH3] 1458a_100000210183_200025704644 [2,0,0,0,0,0|0,0,1]=3 1914 B6R0.4 CCCNC(=O)C 11a_100020643023_100015343762 [2,0,0,0,0,0|1,0,0]=3 1915 B6R0.4 CCCNC(=O)C 1626a_100020643023_100015343762 [2,0,0,0,0,0|1,0,0]=3 1916 B6R0.4 CCCNC(=O)C 240690a_100020643023_100015343762 [2,0,0,0,0,0|1,0,0]=3 1917 B6R0.4 CCCNC(=O)C 527a_100020643023_100103153847 [2,0,0,0,0,0|1,0,0]=3 1918 B6R0.4 CCNCC(=O)O 269956a_100016091260_100000210202 [2,0,0,0,0,0|1,0,1]=4 1919 B6R0.4 CCNNC(=O)C 22a_100000756455_100000070787 [2,0,0,0,0,0|2,0,0]=4 1920 B6R0.4 CCOCC(=O)C 1458a_100000211967_200000210301 [2,0,0,0,0,0|1,0,1]=4 1921 B6R0.4 CCOCC(=O)C 34a_100000211253_100000210202 [2,0,0,0,0,0|1,0,1]=4 1922 B6R0.4 CCOCC(=O)[13CH3] 1458a_100000211967_200025704644 [2,0,0,0,0,0|1,0,1]=4 1923 B6R0.4 CCSCC(=O)C 1458a_100000230394_200000210301 [2,0,0,0,0,0|1,0,1]=4 1924 B6R0.4 CCSCC(=O)[13CH3] 1458a_100000230394_200025704644 [2,0,0,0,0,0|1,0,1]=4 1925 B6R0.4 CNCC=C(C)C 2230a_106832991635_100000761012 [2,0,0,0,0,0|2,0,0]=4 1926 B6R0.4 CNCC=C(C)C 34a_100000718196_200000210301 [2,0,0,0,0,0|2,0,0]=4 1927 B6R0.4 CNCC=C(C)C 34a_100102657272_100000761012 [2,0,0,0,0,0|2,0,0]=4 1928 B6R0.4 CNCC=C(C)C 7a_106832991635_100000761012 [2,0,0,0,0,0|2,0,0]=4 1929 B6R0.4 CNCCC(=O)C 7a_106832991635_100000053229 [2,0,0,0,0,0|1,0,1]=4 1930 B6R0.4 CNCOC(=O)C 34a_100102657272_100009813279 [2,0,0,0,0,0|2,0,0]=4 1931 B6R0.4 COC=CC(=O)C 1458a_100016268678_200000210301 [2,0,0,0,0,0|1,0,0]=3 1932 B6R0.4 COC=CC(=O)[13CH3] 1458a_100016268678_200025704644 [2,0,0,0,0,0|1,0,0]=3 1933 B6R0.4 COCC=C(C)C 34a_100000753907_200000210301 [2,0,0,0,0,0|2,0,0]=4 1934 B6R0.4 COCC=C(C)C 34a_100138415774_100000761012 [2,0,0,0,0,0|2,0,0]=4 1935 B6R0.4 COCCC(=O)C 1458a_100000070787_100000233755 [2,0,0,0,0,0|1,0,1]=4 1936 B6R0.4 COCCC(=O)C 1458a_100000749529_200000210301 [2,0,0,0,0,0|1,0,1]=4 1937 B6R0.4 COCCC(=O)C 34a_100000759926_200000210301 [2,0,0,0,0,0|1,0,1]=4 1938 B6R0.4 COCCC(=O)C 7a_100000759926_200000210301 [2,0,0,0,0,0|1,0,1]=4 1939 B6R0.4 COCCC(=O)[13CH3] 1458a_100000749529_200025704644 [2,0,0,0,0,0|1,0,1]=4 1940 B6R0.4 COCOC(=O)C 34a_100138415774_100009813279 [2,0,0,0,0,0|2,0,0]=4 1941 B6R0.4 CSCC=C(C)C 62a_100000761012_200000210301 [2,0,0,0,0,0|2,0,0]=4 1942 B6R0.4 CSCC=C(C)C 62a_200000210301_100000761012 [2,0,0,0,0,0|2,0,0]=4 1943 B6R0.4 CSCCC(=O)C 1458a_100000070787_100000751147 [2,0,0,0,0,0|1,0,1]=4 1944 B6R0.4 CSCCC(=O)C 1458a_100000174002_200000210301 [2,0,0,0,0,0|1,0,1]=4 1945 B6R0.4 CSCCC(=O)C 62a_100000053229_200000210301 [2,0,0,0,0,0|1,0,1]=4 1946 B6R0.4 CSCCC(=O)C 62a_200000210301_100000053229 [2,0,0,0,0,0|1,0,1]=4 1947 B6R0.4 CSCCC(=O)[13CH3] 1458a_100000174002_200025704644 [2,0,0,0,0,0|1,0,1]=4 1948 B6R0.4 CSCOC(=O)C 62a_100000076356_200000210301 [2,0,0,0,0,0|2,0,0]=4 1949 B6R0.4 CSCOC(=O)C 62a_200000210301_100000076356 [2,0,0,0,0,0|2,0,0]=4 1950 B8R0.1 C#CCC(=O)C=COC 1458a_100016268678_100000184674 [1,1,0,0,0,0|0,0,2]=4 1951 B8R0.1 C/C=C/CC(=O)CCC 1458a_100000211992_100102629194 [1,1,0,0,0,0|1,0,1]=4 1952 B8R0.1 C=CC=CC(=O)CCC 1458a_100016291481_100000210303 [1,1,0,0,0,0|1,0,1]=4 1953 B8R0.1 C=CCC(=O)C=COC 1458a_100016268678_100000210623 [1,1,0,0,0,0|0,0,2]=4 1954 B8R0.1 CC=CC(=O)CCCC 1458a_100000210699_100000210211 [1,1,0,0,0,0|1,0,1]=4 1955 B8R0.1 CC=CC(=O)NCCC 11a_100020643023_100000210699 [1,1,0,0,0,0|2,0,0]=4 1956 B8R0.1 CC=CC(=O)NCCC 1626a_100020643023_100000210699 [1,1,0,0,0,0|2,0,0]=4 1957 B8R0.1 CC=CC(=O)NCCC 240690a_100020643023_100000210699 [1,1,0,0,0,0|2,0,0]=4 1958 B8R0.1 CC=CCC(=O)CCC 1458a_100000211992_100000070051 [1,1,0,0,0,0|1,0,1]=4 1959 B8R0.1 CC=CCC(=O)CCC 1458a_100121576822_100000210303 [1,1,0,0,0,0|1,0,1]=4 1960 B8R0.1 CCC=CC(=O)CCC 1458a_100000212282_100000210303 [1,1,0,0,0,0|1,0,0]=3 1961 B8R0.1 CCC=CC(=O)CCF 1458a_100000212282_100011217306 [1,1,0,0,0,0|2,0,0]=4 1962 B8R0.1 CCC=CC(=O)CCO 1458a_100000212282_100000211926 [1,1,0,0,0,0|2,0,0]=4 1963 B8R0.1 CCC=CC(=O)NCC 11a_100015525214_100000212282 [1,1,0,0,0,0|2,0,0]=4 1964 B8R0.1 CCC=CC(=O)NCC 240690a_100015525214_100000212282 [1,1,0,0,0,0|2,0,0]=4 1965 B8R0.1 CCCC(=O)C=COC 1458a_100016268678_100000210303 [1,1,0,0,0,0|0,0,0]=2 1966 B8R0.1 CCCC(=O)CCOC 1458a_100000211992_100000233755 [1,1,0,0,0,0|0,0,2]=4 1967 B8R0.1 CCCC(=O)CCOC 1458a_100000749529_100000210303 [1,1,0,0,0,0|0,0,2]=4 1968 B8R0.1 CCCC(=O)OCOC 34a_100138415774_100000034017 [1,1,0,0,0,0|1,0,1]=4 1969 B8R0.1 CCCCC(=O)COC 1458a_100000210968_100000210211 [1,1,0,0,0,0|0,0,2]=4 1970 B8R0.1 CCCNC(=O)COC 11a_100020643023_100000210968 [1,1,0,0,0,0|1,0,1]=4 1971 B8R0.1 CCCNC(=O)COC 1626a_100020643023_100000210968 [1,1,0,0,0,0|1,0,1]=4 1972 B8R0.1 CCCNC(=O)COC 240690a_100020643023_100000210968 [1,1,0,0,0,0|1,0,1]=4 1973 B8R0.1 CCCNC(=O)COC 34a_100138415774_100000183358 [1,1,0,0,0,0|1,0,1]=4 1974 B8R0.1 CCCNC(=O)COC 527a_100020643023_100000210968 [1,1,0,0,0,0|1,0,1]=4 1975 B8R0.1 CCCOC(=O)COC 34a_100138415774_200011215008 [1,1,0,0,0,0|1,0,1]=4 1976 B8R0.1 CCNC(=O)C=COC 240690a_100015525214_100016268678 [1,1,0,0,0,0|1,0,0]=3 1977 B8R0.1 CNNC(=O)C=COC 22a_100016993582_100016268678 [1,1,0,0,0,0|2,0,0]=4 1978 B8R0.1 COC=CC(=O)CC#N 1458a_100016268678_100011214920 [1,1,0,0,0,0|1,0,1]=4 1979 B8R0.1 COC=CC(=O)CCF 1458a_100016268678_100011217306 [1,1,0,0,0,0|1,0,0]=3 1980 B8R0.1 COC=CC(=O)CCO 1458a_100016268678_100000211926 [1,1,0,0,0,0|1,0,0]=3 1981 B8R0.4 C/C=C/C=C/COCC 34a_100016283227_100000210202 [1,1,0,0,0,0|1,0,0]=3 1982 B8R0.4 C/C=C/C=C/COCF 34a_100016283227_100015361967 [1,1,0,0,0,0|2,0,0]=4 1983 B8R0.4 CC/C=C/CCCOC 34a_100016287902_200000210301 [1,1,0,0,0,0|1,0,1]=4 1984 B8R0.4 CC/C=C/CCCOC 7a_100016287902_200000210301 [1,1,0,0,0,0|1,0,1]=4 1985 B8R0.4 CC/C=C/CCCO[13CH3] 34a_100016287902_200025704644 [1,1,0,0,0,0|1,0,1]=4 1986 B8R0.4 CC/C=C/CCCO[13CH3] 7a_100016287902_200025704644 [1,1,0,0,0,0|1,0,1]=4 1987 B8R0.4 CC/C=C\CCNCC 2230a_100015525214_100015370543 [1,1,0,0,0,0|1,0,1]=4 1988 B8R0.4 CC/C=C\CCOCC 34a_100016288707_100000210202 [1,1,0,0,0,0|1,0,1]=4 1989 B8R0.4 CC/C=C\CCOCC 34a_100121572206_100015370543 [1,1,0,0,0,0|1,0,1]=4 1990 B8R0.4 CC/C=C\CCOCC 7a_100016288707_100000210202 [1,1,0,0,0,0|1,0,1]=4 1991 B8R0.4 CC/C=C\CCSCC 62a_100000210202_100015370543 [1,1,0,0,0,0|1,0,1]=4 1992 B8R0.4 CC/C=C\CCSCC 62a_100015370543_100000210202 [1,1,0,0,0,0|1,0,1]=4 1993 B8R0.4 CC/C=C\COCCC 34a_100000210258_100103147603 [1,1,0,0,0,0|1,0,1]=4 1994 B8R0.4 CC/C=C\COCCC 34a_100016268518_100000210303 [1,1,0,0,0,0|1,0,1]=4 1995 B8R0.4 CC/C=C\CSCCC 62a_100000210303_100103147603 [1,1,0,0,0,0|1,0,1]=4 1996 B8R0.4 CC/C=C\CSCCC 62a_100103147603_100000210303 [1,1,0,0,0,0|1,0,1]=4 1997 B8R0.4 CCC/C=C/COCC 34a_100016278788_100000210202 [1,1,0,0,0,0|0,0,1]=3 1998 B8R0.4 CCC/C=C/COCC 7a_100016278788_100000210202 [1,1,0,0,0,0|0,0,1]=3 1999 B8R0.4 CCC/C=C/COCF 34a_100016278788_100015361967 [1,1,0,0,0,0|0,0,1]=3 2000 B8R0.4 CCC/C=C/COCF 7a_100016278788_100015361967 [1,1,0,0,0,0|0,0,1]=3 2001 B8R0.4 CCC=CC=NNCC 4a_100000756455_100011216943 [1,1,0,0,0,0|2,0,0]=4 2002 B8R0.4 CCCC/C=C/COC 34a_200016272032_200000210301 [1,1,0,0,0,0|0,0,1]=3 2003 B8R0.4 CCCC/C=C/COC 7a_200016272032_200000210301 [1,1,0,0,0,0|0,0,1]=3 2004 B8R0.4 CCCC/C=C/CO[13CH3] 34a_200016272032_200025704644 [1,1,0,0,0,0|0,0,1]=3 2005 B8R0.4 CCCC/C=C/CO[13CH3] 7a_200016272032_200025704644 [1,1,0,0,0,0|0,0,1]=3 2006 B8R0.7 CCC/C=C/CC(=O)C 1458a_200016266809_200000210301 [1,1,0,0,0,0|1,0,1]=4 2007 B8R0.7 CCC/C=C/CC(=O)[13CH3] 1458a_200016266809_200025704644 [1,1,0,0,0,0|1,0,1]=4 2008 B8R0.7 CCCCC=CC(=O)C 1458a_100016266645_200000210301 [1,1,0,0,0,0|1,0,1]=4 2009 B8R0.7 CCCCC=CC(=O)[13CH3] 1458a_100016266645_200025704644 [1,1,0,0,0,0|1,0,1]=4 2010 B8R0.3 C/C=C(\C)/C(=O)CCC 1458a_100020587367_100000210303 [1,1,0,0,0,0|2,0,0]=4 2011 B8R0.3 C=C(CNC)C(=O)OC 34a_100102657272_100009813391 [1,1,0,0,0,0|1,0,0]=3 2012 B8R0.3 C=C(COC)C(=O)OC 34a_100138415774_100009813391 [1,1,0,0,0,0|1,0,0]=3 2013 B8R0.3 C=C(CSC)C(=O)OC 62a_100009813391_200000210301 [1,1,0,0,0,0|1,0,0]=3 2014 B8R0.3 C=C(CSC)C(=O)OC 62a_200000210301_100009813391 [1,1,0,0,0,0|1,0,0]=3 2015 B8R0.3 C=C(CS[13CH3])C(=O)OC 62a_100009813391_200025704644 [1,1,0,0,0,0|1,0,0]=3 2016 B8R0.3 C=C(CS[13CH3])C(=O)OC 62a_200025704644_100009813391 [1,1,0,0,0,0|1,0,0]=3 2017 B8R0.3 CC/C=C(\C)/C(=O)CC 1458a_100016988807_100000210202 [1,1,0,0,0,0|1,0,0]=3 2018 B8R0.3 CC/C=C(\C)/C(=O)CF 1458a_100016988807_100015361967 [1,1,0,0,0,0|2,0,0]=4 2019 B8R0.3 CC/C=C(\C)/C(=O)NC 11a_106832991635_100016988807 [1,1,0,0,0,0|1,0,0]=3 2020 B8R0.3 CC/C=C(\C)/C(=O)NC 1626a_100102657272_100016988807 [1,1,0,0,0,0|1,0,0]=3 2021 B8R0.3 CC/C=C(\C)/C(=O)NC 240690a_100102657272_100016988807 [1,1,0,0,0,0|1,0,0]=3 2022 B8R0.3 CC/C=C(\C)/C(=O)NC 527a_100102657272_100016988807 [1,1,0,0,0,0|1,0,0]=3 2023 B8R0.3 CCCC(=O)C(=O)NC 1458a_100011218921_100000210303 [1,1,0,0,0,0|1,0,0]=3 2024 B8R0.3 CCCC(=O)C(C)OC 1458a_100000743197_100000210303 [1,1,0,0,0,0|1,0,1]=4 2025 B8R0.3 CCCC(C)C(=O)CC 1458a_100000210414_100000766640 [1,1,0,0,0,0|1,0,1]=4 2026 B8R0.3 CCCC(C)C(=O)CC 1458a_100000210906_100000210202 [1,1,0,0,0,0|1,0,1]=4 2027 B8R0.3 CCCC(C)C(=O)NC 11a_106832991635_100000210906 [1,1,0,0,0,0|1,0,1]=4 2028 B8R0.3 CCCC(C)C(=O)NC 1626a_100102657272_100000210906 [1,1,0,0,0,0|1,0,1]=4 2029 B8R0.3 CCCC(C)C(=O)NC 240690a_100102657272_100000210906 [1,1,0,0,0,0|1,0,1]=4 2030 B8R0.3 CCCC(C)C(=O)NC 527a_100102657272_100000210906 [1,1,0,0,0,0|1,0,1]=4 2031 B8R0.3 CCCN(C)C(=O)CC 11a_100000747261_100000210414 [1,1,0,0,0,0|2,0,0]=4 2032 B8R0.3 CCCN(C)C(=O)CC 1626a_100000747261_100000210414 [1,1,0,0,0,0|2,0,0]=4 2033 B8R0.3 CCCN(C)C(=O)CC 240690a_100000747261_100000210414 [1,1,0,0,0,0|2,0,0]=4 2034 B8R0.3 CCCN(C)C(=O)CC 527a_100000747261_100000210414 [1,1,0,0,0,0|2,0,0]=4 2035 B8R0.3 CCCN(C)C(=O)NC 2708a_100102657272_100000747261 [1,1,0,0,0,0|2,0,0]=4 2036 B8R0.3 CCCN(C)C(=O)NC 273464a_100102657272_100000747261 [1,1,0,0,0,0|2,0,0]=4 2037 B8R0.3 CCC[C@H](O)C(=O)CC 1458a_100009822183_100000210202 [1,1,0,0,0,0|1,0,1]=4 2038 B8R0.3 CCC[C@H](O)C(=O)NC 240690a_100102657272_100009822183 [1,1,0,0,0,0|1,0,1]=4 2039 B8R0.3 CCNC(=O)C(=O)CC 1458a_200011297158_100000210202 [1,1,0,0,0,0|2,0,0]=4 2040 B8R0.3 CCNC(=O)C(=O)NC 1626a_100102657272_200011297158 [1,1,0,0,0,0|2,0,0]=4 2041 B8R0.3 CCNC(=O)C(=O)NC 240690a_100015525214_100011218921 [1,1,0,0,0,0|2,0,0]=4 2042 B8R0.3 CCNC(=O)C(=O)NC 240690a_100102657272_200011297158 [1,1,0,0,0,0|2,0,0]=4 2043 B8R0.3 CCNC(=O)C(=O)NC 527a_100015525214_100011218921 [1,1,0,0,0,0|2,0,0]=4 2044 B8R0.3 CCNC(=O)C(=O)NC 527a_100102657272_200011297158 [1,1,0,0,0,0|2,0,0]=4 2045 B8R0.3 CCNC(=O)C(=O)OC 11a_100015525214_100000024059 [1,1,0,0,0,0|1,0,0]=3 2046 B8R0.3 CCNC(=O)C(=O)OC 240690a_100015525214_100000024059 [1,1,0,0,0,0|1,0,0]=3 2047 B8R0.3 CCNC(=O)C(=O)OC 527a_100015525214_100000024059 [1,1,0,0,0,0|1,0,0]=3 2048 B8R0.3 CCNC(C)C(=O)OC 2230a_100015525214_100000211248 [1,1,0,0,0,0|1,0,1]=4 2049 B8R0.3 CCOC(=O)C(=O)NC 11a_106832991635_100014798877 [1,1,0,0,0,0|2,0,0]=4 2050 B8R0.3 CCOC(=O)C(=O)NC 1626a_100102657272_100014798877 [1,1,0,0,0,0|2,0,0]=4 2051 B8R0.3 CCOC(=O)C(=O)NC 240690a_100102657272_100014798877 [1,1,0,0,0,0|2,0,0]=4 2052 B8R0.3 CCOC(C)C(=O)OC 34a_100011215400_100000210202 [1,1,0,0,0,0|1,0,1]=4 2053 B8R0.3 CCOC(C)C(=O)OC 34a_100121572206_100000211248 [1,1,0,0,0,0|1,0,1]=4 2054 B8R0.3 CCSC(C)C(=O)OC 62a_100000210202_100000211248 [1,1,0,0,0,0|1,0,1]=4 2055 B8R0.3 CCSC(C)C(=O)OC 62a_100000211248_100000210202 [1,1,0,0,0,0|1,0,1]=4 2056 B8R0.3 CNC(=O)C(=O)CCF 1458a_100011218921_100011217306 [1,1,0,0,0,0|2,0,0]=4 2057 B8R0.3 CNC(=O)C(=O)CCO 1458a_100011218921_100000211926 [1,1,0,0,0,0|2,0,0]=4 2058 B8R0.3 CNCC(=O)C(=O)OC 34a_100102657272_100011610305 [1,1,0,0,0,0|1,0,0]=3 2059 B8R0.3 CNCC(C)C(=O)OC 34a_100102657272_100000698445 [1,1,0,0,0,0|1,0,1]=4 2060 B8R0.3 COC(=O)C(=O)CSC 62a_100011610305_200000210301 [1,1,0,0,0,0|1,0,0]=3 2061 B8R0.3 COC(=O)C(=O)CSC 62a_200000210301_100011610305 [1,1,0,0,0,0|1,0,0]=3 2062 B8R0.3 COC(=O)C(=O)CS[13CH3] 62a_100011610305_200025704644 [1,1,0,0,0,0|1,0,0]=3 2063 B8R0.3 COC(=O)C(=O)CS[13CH3] 62a_200025704644_100011610305 [1,1,0,0,0,0|1,0,0]=3 2064 B8R0.3 COC(=O)C(C)CO[13CH3] 34a_100000749362_200025704644 [1,1,0,0,0,0|1,0,1]=4 2065 B8R0.3 COC(=O)C(C)CO[13CH3] 7a_100000749362_200025704644 [1,1,0,0,0,0|1,0,1]=4 2066 B8R0.3 COC(=O)C(C)CSC 62a_100000698445_200000210301 [1,1,0,0,0,0|1,0,1]=4 2067 B8R0.3 COC(=O)C(C)CSC 62a_200000210301_100000698445 [1,1,0,0,0,0|1,0,1]=4 2068 B8R0.3 COC(=O)C(C)CS[13CH3] 62a_100000698445_200025704644 [1,1,0,0,0,0|1,0,1]=4 2069 B8R0.3 COC(=O)C(C)CS[13CH3] 62a_200025704644_100000698445 [1,1,0,0,0,0|1,0,1]=4 2070 B8R0.3 COC(=O)C(F)CO[13CH3] 34a_200009849844_200025704644 [1,1,0,0,0,0|1,0,1]=4 2071 B8R0.3 COC(=O)[C@H](N)CO[13CH3] 34a_100000003586_200025704644 [1,1,0,0,0,0|1,0,1]=4 2072 B8R0.3 COCC(=O)C(=O)OC 34a_100138415774_100011610305 [1,1,0,0,0,0|1,0,0]=3 2073 B8R0.3 COCC(C)C(=O)OC 34a_100000749362_200000210301 [1,1,0,0,0,0|1,0,1]=4 2074 B8R0.3 COCC(C)C(=O)OC 34a_100138415774_100000698445 [1,1,0,0,0,0|1,0,1]=4 2075 B8R0.3 COCC(C)C(=O)OC 7a_100000749362_200000210301 [1,1,0,0,0,0|1,0,1]=4 2076 B8R0.3 COCC(F)C(=O)OC 34a_200009849844_200000210301 [1,1,0,0,0,0|1,0,1]=4 2077 B8R0.3 COC[C@@H](N)C(=O)OC 34a_100000003586_200000210301 [1,1,0,0,0,0|1,0,1]=4 2078 B8R0.8 C=C(C)C(=O)CCCC 1458a_100000185857_100000210211 [1,1,0,0,0,0|1,0,1]=4 2079 B8R0.8 C=C(C)C(=O)NCCC 11a_100020643023_100000185857 [1,1,0,0,0,0|2,0,0]=4 2080 B8R0.8 C=C(C)C(=O)NCCC 1626a_100020643023_100000185857 [1,1,0,0,0,0|2,0,0]=4 2081 B8R0.8 CCC/C=C(\C)/C(=O)C 1458a_200020648666_200000210301 [1,1,0,0,0,0|2,0,0]=4 2082 B8R0.8 CCC/C=C(\C)/C(=O)[13CH3] 1458a_200020648666_200025704644 [1,1,0,0,0,0|2,0,0]=4 2083 B8R0.8 CCC=CC(=O)C(C)C 1458a_100000212282_100000210206 [1,1,0,0,0,0|1,0,0]=3 2084 B8R0.8 CCC=CC(=O)N(C)C 11a_100102631434_100000212282 [1,1,0,0,0,0|1,0,0]=3 2085 B8R0.8 CCC=CC(=O)N(C)C 1626a_100102631434_100000212282 [1,1,0,0,0,0|1,0,0]=3 2086 B8R0.8 CCC=CC(=O)N(C)C 240690a_100102631434_100000212282 [1,1,0,0,0,0|1,0,0]=3 2087 B8R0.8 CCCCC(=O)C(C)C 1458a_100000210183_100000210206 [1,1,0,0,0,0|1,0,1]=4 2088 B8R0.8 CCCCC(=O)C(C)C 1458a_100000210198_100000210211 [1,1,0,0,0,0|1,0,1]=4 2089 B8R0.8 CCCCC(=O)C(C)F 1458a_100000062450_100000210211 [1,1,0,0,0,0|1,0,1]=4 2090 B8R0.8 CCCCC(=O)N(C)C 11a_100102631434_100000210183 [1,1,0,0,0,0|1,0,1]=4 2091 B8R0.8 CCCCC(=O)N(C)C 1626a_100102631434_100000210183 [1,1,0,0,0,0|1,0,1]=4 2092 B8R0.8 CCCCC(=O)N(C)C 240690a_100102631434_100000210183 [1,1,0,0,0,0|1,0,1]=4 2093 B8R0.8 CCCCC(=O)N(C)C 527a_100102631434_100000210183 [1,1,0,0,0,0|1,0,1]=4 2094 B8R0.8 CCCCC(=O)[C@@H](C)O 1458a_100000717761_100000210211 [1,1,0,0,0,0|1,0,1]=4 2095 B8R0.8 CCCCC(=O)[C@H](C)O 1458a_217856618621_100000210211 [1,1,0,0,0,0|1,0,1]=4 2096 B8R0.8 CCCNC(=O)C(=O)C 1458a_200011297150_200000210301 [1,1,0,0,0,0|2,0,0]=4 2097 B8R0.8 CCCNC(=O)C(=O)[13CH3] 1458a_200011297150_200025704644 [1,1,0,0,0,0|2,0,0]=4 2098 B8R0.8 CCCNC(=O)C(C)C 11a_100020643023_100000210198 [1,1,0,0,0,0|2,0,0]=4 2099 B8R0.8 CCCNC(=O)C(C)C 1626a_100020643023_100000210198 [1,1,0,0,0,0|2,0,0]=4 2100 B8R0.8 CCCNC(=O)C(C)C 240690a_100020643023_100000210198 [1,1,0,0,0,0|2,0,0]=4 2101 B8R0.8 CCCNC(=O)C(C)C 527a_100020643023_100000210198 [1,1,0,0,0,0|2,0,0]=4 2102 B8R0.8 CCCNC(=O)C(C)F 11a_100020643023_100000062450 [1,1,0,0,0,0|2,0,0]=4 2103 B8R0.8 CCCNC(=O)C(C)F 1626a_100020643023_100000062450 [1,1,0,0,0,0|2,0,0]=4 2104 B8R0.8 CCCNC(=O)C(C)F 240690a_100020643023_100000062450 [1,1,0,0,0,0|2,0,0]=4 2105 B8R0.8 CCCNC(=O)C(C)F 527a_100020643023_100000062450 [1,1,0,0,0,0|2,0,0]=4 2106 B8R0.8 CCCNC(=O)N(C)C 2708a_100020643023_100102631434 [1,1,0,0,0,0|2,0,0]=4 2107 B8R0.8 CCCNC(=O)[C@@H](C)O 240690a_100020643023_100000717761 [1,1,0,0,0,0|2,0,0]=4 2108 B8R0.8 CCCNC(=O)[C@H](C)O 1626a_100020643023_217856618621 [1,1,0,0,0,0|2,0,0]=4 2109 B8R0.8 CCCNC(=O)[C@H](C)O 240690a_100020643023_217856618621 [1,1,0,0,0,0|2,0,0]=4 2110 B8R0.8 COC=CC(=O)C(C)C 1458a_100016268678_100000210206 [1,1,0,0,0,0|2,0,0]=4 2111 B8R0.8 COC=CC(=O)N(C)C 1626a_100102631434_100016268678 [1,1,0,0,0,0|2,0,0]=4 2112 B8R0.8 COC=CC(=O)N(C)C 240690a_100102631434_100016268678 [1,1,0,0,0,0|2,0,0]=4 2113 B8R0.9 CC(C)C=CC(=O)CF 1458a_100016268746_100015361967 [1,1,0,0,0,0|2,0,0]=4 2114 B8R0.9 CCC(=O)C=CC(C)C 1458a_100016268746_100000210202 [1,1,0,0,0,0|1,0,0]=3 2115 B8R0.9 CCC(=O)CCC(C)C 1458a_100000181311_100000210202 [1,1,0,0,0,0|1,0,1]=4 2116 B8R0.9 CCC(=O)CCC(C)C 1458a_100000210414_100000210312 [1,1,0,0,0,0|1,0,1]=4 2117 B8R0.9 CCC(=O)CCC(C)O 1458a_100000210414_100012276601 [1,1,0,0,0,0|1,0,1]=4 2118 B8R0.9 CCC(=O)NCC(C)C 11a_100000210953_100000210414 [1,1,0,0,0,0|2,0,0]=4 2119 B8R0.9 CCC(=O)NCC(C)C 1626a_100000210953_100000210414 [1,1,0,0,0,0|2,0,0]=4 2120 B8R0.9 CCC(=O)NCC(C)C 240690a_100000210953_100000210414 [1,1,0,0,0,0|2,0,0]=4 2121 B8R0.9 CCC(=O)NCC(C)C 527a_100000210953_100000210414 [1,1,0,0,0,0|2,0,0]=4 2122 B8R0.9 CCC(=O)NCC(C)O 11a_100000210904_100000210414 [1,1,0,0,0,0|2,0,0]=4 2123 B8R0.9 CCC(=O)NCC(C)O 240690a_100000210904_100000210414 [1,1,0,0,0,0|2,0,0]=4 2124 B8R0.9 CCC(=O)NCC(C)O 527a_100000210904_100000210414 [1,1,0,0,0,0|2,0,0]=4 2125 B8R0.9 CNC(=O)C=CC(=O)C 1458a_100016259477_200000210301 [1,1,0,0,0,0|1,0,1]=4 2126 B8R0.9 CNC(=O)C=CC(=O)[13CH3] 1458a_100016259477_200025704644 [1,1,0,0,0,0|1,0,1]=4 2127 B8R0.9 CNC(=O)C=CC(C)C 11a_106832991635_100016268746 [1,1,0,0,0,0|1,0,0]=3 2128 B8R0.9 CNC(=O)C=CC(C)C 1626a_100102657272_100016268746 [1,1,0,0,0,0|1,0,0]=3 2129 B8R0.9 CNC(=O)C=CC(C)C 240690a_100102657272_100016268746 [1,1,0,0,0,0|1,0,0]=3 2130 B8R0.9 CNC(=O)CCC(C)C 11a_106832991635_100000181311 [1,1,0,0,0,0|1,0,1]=4 2131 B8R0.9 CNC(=O)CCC(C)C 1626a_100102657272_100000181311 [1,1,0,0,0,0|1,0,1]=4 2132 B8R0.9 CNC(=O)CCC(C)C 240690a_100102657272_100000181311 [1,1,0,0,0,0|1,0,1]=4 2133 B8R0.9 CNC(=O)CCC(C)C 527a_100102657272_100000181311 [1,1,0,0,0,0|1,0,1]=4 2134 B8R0.9 CNC(=O)CCC(C)O 1626a_100102657272_100000718519 [1,1,0,0,0,0|1,0,1]=4 2135 B8R0.9 CNC(=O)NCC(C)C 2708a_100000210953_106832991635 [1,1,0,0,0,0|2,0,0]=4 2136 B8R0.9 CNC(=O)NCC(C)C 2708a_100102657272_100000210953 [1,1,0,0,0,0|2,0,0]=4 2137 B8R0.9 CNC(=O)NCC(C)C 273464a_100000210953_100102657272 [1,1,0,0,0,0|2,0,0]=4 2138 B8R0.9 CNC(=O)NCC(C)C 273464a_100102657272_100000210953 [1,1,0,0,0,0|2,0,0]=4 2139 B8R0.9 CNC(=O)NCC(C)C 512a_100000210953_100102657272 [1,1,0,0,0,0|2,0,0]=4 2140 B8R0.9 CNC(=O)NCC(C)C 512a_106832991638_100000210953 [1,1,0,0,0,0|2,0,0]=4 2141 B8R0.9 CNC(=O)NCC(C)O 2708a_100102657272_100000210904 [1,1,0,0,0,0|2,0,0]=4 2142 B8R0.9 CNC(=O)NCC(C)O 273464a_100000210904_100102657272 [1,1,0,0,0,0|2,0,0]=4 2143 B8R0.9 CNC(=O)NCC(C)O 273464a_100102657272_100000210904 [1,1,0,0,0,0|2,0,0]=4 2144 B8R0.9 CNC(=O)NCC(C)O 512a_100000210904_100102657272 [1,1,0,0,0,0|2,0,0]=4 2145 B8R0.9 CNC(=O)NCC(C)O 512a_106832991638_100000210904 [1,1,0,0,0,0|2,0,0]=4 2146 B8R0.9 COC(=O)CCC(=O)C 1458a_100000187943_200000210301 [1,1,0,0,0,0|0,0,2]=4 2147 B8R0.9 COC(=O)CCC(=O)[13CH3] 1458a_100000187943_200025704644 [1,1,0,0,0,0|0,0,2]=4 2148 B8R0.9 COC(=O)CCN(C)C 2230a_100102631434_100000204255 [1,1,0,0,0,0|1,0,1]=4 2149 B8R0.9 COC(=O)CCN(C)C 269982a_100025711912_200000210301 [1,1,0,0,0,0|1,0,1]=4 2150 B8R0.9 COC(=O)CCN(C)C 269982a_100102631434_100000204255 [1,1,0,0,0,0|1,0,1]=4 2151 B8R0.9 COC(=O)CCN(C)[13CH3] 269982a_100025711912_200025704644 [1,1,0,0,0,0|1,0,1]=4 2152 B8R0.9 COC(=O)CNC(C)C 2230a_100138425928_100000747449 [1,1,0,0,0,0|1,0,1]=4 2153 B8R0.9 COC(=O)CNC(C)C 34a_100138425928_100000747449 [1,1,0,0,0,0|1,0,1]=4 2154 B8R0.9 COC(=O)COC(C)C 34a_100000212225_100000747449 [1,1,0,0,0,0|1,0,1]=4 2155 B8R0.9 COC(=O)CSC(C)C 62a_100000210206_100000747449 [1,1,0,0,0,0|1,0,1]=4 2156 B8R0.9 COC(=O)CSC(C)C 62a_100000747449_100000210206 [1,1,0,0,0,0|1,0,1]=4 2157 B8R0.9 COC(=O)NCC(=O)C 1458a_100000215747_200000210301 [1,1,0,0,0,0|1,0,1]=4 2158 B8R0.9 COC(=O)NCC(=O)[13CH3] 1458a_100000215747_200025704644 [1,1,0,0,0,0|1,0,1]=4 2159 B8R0.19 CCC(=CC(=O)CF)C 1458a_100020758463_100015361967 [1,1,0,0,0,0|2,0,0]=4 2160 B8R0.19 CCC(=CC(=O)NC)C 11a_106832991635_100020758463 [1,1,0,0,0,0|1,0,0]=3 2161 B8R0.19 CCC(=CC(=O)NC)C 1626a_100102657272_100020758463 [1,1,0,0,0,0|1,0,0]=3 2162 B8R0.19 CCC(=CC(=O)NC)C 240690a_100102657272_100020758463 [1,1,0,0,0,0|1,0,0]=3 2163 B8R0.19 CCC(=O)C=C(C)CC 1458a_100020758463_100000210202 [1,1,0,0,0,0|1,0,0]=3 2164 B8R0.19 CCC(=O)CC(=O)CC 1458a_100000210414_100000747405 [1,1,0,0,0,0|1,0,1]=4 2165 B8R0.19 CCC(=O)CC(=O)NC 1458a_100000210414_100000183359 [1,1,0,0,0,0|1,0,1]=4 2166 B8R0.19 CCC(=O)CC(=O)OC 1458a_100000210414_100000747449 [1,1,0,0,0,0|0,0,1]=3 2167 B8R0.19 CCC(=O)CC(=O)OC 1458a_100000211351_100000210202 [1,1,0,0,0,0|0,0,1]=3 2168 B8R0.19 CCC(=O)CC(C)CC 1458a_100000210414_100000748023 [1,1,0,0,0,0|1,0,1]=4 2169 B8R0.19 CCC(=O)CC(C)CC 1458a_100000708755_100000210202 [1,1,0,0,0,0|1,0,1]=4 2170 B8R0.19 CCC(=O)CC(O)CC 1458a_100000210414_100011218378 [1,1,0,0,0,0|1,0,1]=4 2171 B8R0.19 CCC(=O)CC(O)CC 1458a_100011667805_100000210202 [1,1,0,0,0,0|1,0,1]=4 2172 B8R0.19 CCC(=O)C[C@@H](C)CC 1458a_100000210414_100009816398 [1,1,0,0,0,0|1,0,1]=4 2173 B8R0.19 CCC(=O)NC(C)CC 11a_100000209981_100000210414 [1,1,0,0,0,0|2,0,0]=4 2174 B8R0.19 CCC(=O)NC(C)CC 1626a_100000209981_100000210414 [1,1,0,0,0,0|2,0,0]=4 2175 B8R0.19 CCC(=O)NC(C)CC 240690a_100000209981_100000210414 [1,1,0,0,0,0|2,0,0]=4 2176 B8R0.19 CCC(=O)NC(C)CC 527a_100000209981_100000210414 [1,1,0,0,0,0|2,0,0]=4 2177 B8R0.19 CCC(C)CC(=O)NC 11a_106832991635_100000708755 [1,1,0,0,0,0|1,0,1]=4 2178 B8R0.19 CCC(C)CC(=O)NC 1626a_100102657272_100000708755 [1,1,0,0,0,0|1,0,1]=4 2179 B8R0.19 CCC(C)CC(=O)NC 240690a_100102657272_100000708755 [1,1,0,0,0,0|1,0,1]=4 2180 B8R0.19 CCC(C)CC(=O)NC 527a_100102657272_100000708755 [1,1,0,0,0,0|1,0,1]=4 2181 B8R0.19 CCC(C)NC(=O)NC 2708a_100000209981_106832991635 [1,1,0,0,0,0|2,0,0]=4 2182 B8R0.19 CCC(C)NC(=O)NC 2708a_100102657272_100000209981 [1,1,0,0,0,0|2,0,0]=4 2183 B8R0.19 CCC(C)NC(=O)NC 273464a_100000209981_100102657272 [1,1,0,0,0,0|2,0,0]=4 2184 B8R0.19 CCC(C)NC(=O)NC 273464a_100102657272_100000209981 [1,1,0,0,0,0|2,0,0]=4 2185 B8R0.19 CCC(C)NC(=O)NC 512a_100000209981_100102657272 [1,1,0,0,0,0|2,0,0]=4 2186 B8R0.19 CCC(C)NC(=O)NC 512a_106832991638_100000209981 [1,1,0,0,0,0|2,0,0]=4 2187 B8R0.19 CCC(O)CC(=O)NC 1626a_100102657272_100011667805 [1,1,0,0,0,0|1,0,1]=4 2188 B8R0.19 CCC(O)CC(=O)NC 240690a_100102657272_100011667805 [1,1,0,0,0,0|1,0,1]=4 2189 B8R0.19 CCN(C)CC(=O)OC 2230a_100000198492_100000210202 [1,1,0,0,0,0|1,0,1]=4 2190 B8R0.19 CCN(C)CC(=O)OC 2230a_100000225621_100000747449 [1,1,0,0,0,0|1,0,1]=4 2191 B8R0.19 CCN(C)CC(=O)OC 269982a_100000225621_100000747449 [1,1,0,0,0,0|1,0,1]=4 2192 B8R0.19 CNC(=O)CC(=O)OC 240690a_100102657272_100000211351 [1,1,0,0,0,0|1,0,1]=4 2193 B8R0.19 CNC(C)CC(=O)OC 2230a_106832991635_100009817358 [1,1,0,0,0,0|1,0,1]=4 2194 B8R0.19 CNC(C)CC(=O)OC 34a_100102657272_100009817358 [1,1,0,0,0,0|1,0,1]=4 2195 B8R0.19 CNC(C)CC(=O)OC 7a_106832991635_100009817358 [1,1,0,0,0,0|1,0,1]=4 2196 B8R0.19 COC(=O)CC(=O)CF 1458a_100000211351_100015361967 [1,1,0,0,0,0|1,0,1]=4 2197 B8R0.19 COC(=O)CC(=O)CO 1458a_100000210174_100000747449 [1,1,0,0,0,0|1,0,1]=4 2198 B8R0.19 COC(=O)CC(C)OC 34a_100138415774_100009817358 [1,1,0,0,0,0|1,0,1]=4 2199 B8R0.19 COC(=O)CC(C)SC 62a_100009817358_200000210301 [1,1,0,0,0,0|1,0,1]=4 2200 B8R0.19 COC(=O)CC(C)SC 62a_200000210301_100009817358 [1,1,0,0,0,0|1,0,1]=4 2201 B8R0.19 COC(=O)CC(C)S[13CH3] 62a_100009817358_200025704644 [1,1,0,0,0,0|1,0,1]=4 2202 B8R0.19 COC(=O)CC(C)S[13CH3] 62a_200025704644_100009817358 [1,1,0,0,0,0|1,0,1]=4 2203 B8R0.5 C=C(C)CC(=O)CCC 1458a_100000211992_100000748629 [1,1,0,0,0,0|1,0,1]=4 2204 B8R0.5 C=C(CCC)CC(=O)C 1458a_100000138376_200000210301 [1,1,0,0,0,0|0,0,1]=3 2205 B8R0.5 C=C(CCC)CC(=O)[13CH3] 1458a_100000138376_200025704644 [1,1,0,0,0,0|0,0,1]=3 2206 B8R0.5 CC(=CC(=O)CCF)C 1458a_100000211388_100011217306 [1,1,0,0,0,0|2,0,0]=4 2207 B8R0.5 CC(=CC(=O)CCF)Cl 1458a_200042562850_100011217306 [1,1,0,0,0,0|2,0,0]=4 2208 B8R0.5 CC(=CC(=O)CCF)I 1458a_100025716642_100011217306 [1,1,0,0,0,0|2,0,0]=4 2209 B8R0.5 CC(=CC(=O)CCO)C 1458a_100000211388_100000211926 [1,1,0,0,0,0|2,0,0]=4 2210 B8R0.5 CC(=CC(=O)CCO)Cl 1458a_200042562850_100000211926 [1,1,0,0,0,0|2,0,0]=4 2211 B8R0.5 CC(=CC(=O)CCO)I 1458a_100025716642_100000211926 [1,1,0,0,0,0|2,0,0]=4 2212 B8R0.5 CC(=O)NC(=O)CS[13CH3] 62a_200025704644_100000183797 [1,1,0,0,0,0|2,0,0]=4 2213 B8R0.5 CCCC(=CC(=O)C)C 1458a_100020676950_200000210301 [1,1,0,0,0,0|0,0,0]=2 2214 B8R0.5 CCCC(=CC(=O)[13CH3])C 1458a_100020676950_200025704644 [1,1,0,0,0,0|0,0,0]=2 2215 B8R0.5 CCCC(=O)C=C(C)C 1458a_100000211388_100000210303 [1,1,0,0,0,0|1,0,0]=3 2216 B8R0.5 CCCC(=O)C=C(C)Cl 1458a_200042562850_100000210303 [1,1,0,0,0,0|1,0,0]=3 2217 B8R0.5 CCCC(=O)C=C(C)I 1458a_100025716642_100000210303 [1,1,0,0,0,0|1,0,0]=3 2218 B8R0.5 CCCC(=O)C=C(Cl)Cl 1458a_100000137448_100000210303 [1,1,0,0,0,0|2,0,0]=4 2219 B8R0.5 CCCC(=O)CC(=O)C 1458a_100000070787_100000747444 [1,1,0,0,0,0|0,0,1]=3 2220 B8R0.5 CCCC(=O)CC(=O)N 1458a_100000211992_100000187820 [1,1,0,0,0,0|1,0,1]=4 2221 B8R0.5 CCCC(=O)CC(=O)N 1458a_100134613110_100000210303 [1,1,0,0,0,0|1,0,1]=4 2222 B8R0.5 CCCC(=O)CC(=O)[O-] 1458a_100000211992_100020667443 [1,1,0,0,0,0|0,0,2]=4 2223 B8R0.5 CCCC(C)CC(=O)C 1458a_100000070787_100011216630 [1,1,0,0,0,0|0,0,2]=4 2224 B8R0.5 CCCC(C)CC(=O)C 1458a_100000748435_200000210301 [1,1,0,0,0,0|0,0,2]=4 2225 B8R0.5 CCCC(C)CC(=O)[13CH3] 1458a_100000748435_200025704644 [1,1,0,0,0,0|0,0,2]=4 2226 B8R0.5 CCCC(C)NC(=O)C 11a_100000741246_100015343762 [1,1,0,0,0,0|1,0,1]=4 2227 B8R0.5 CCCC(C)NC(=O)C 1626a_100000741246_100015343762 [1,1,0,0,0,0|1,0,1]=4 2228 B8R0.5 CCCC(C)NC(=O)C 240690a_100000741246_100015343762 [1,1,0,0,0,0|1,0,1]=4 2229 B8R0.5 CCCC(C)NC(=O)C 527a_100000741246_100103153847 [1,1,0,0,0,0|1,0,1]=4 2230 B8R0.5 CCCN(C)CC(=O)O 269956a_100000746989_100000210207 [1,1,0,0,0,0|1,0,1]=4 2231 B8R0.5 CCCS(=O)CC(=O)C 1458a_100011387404_200000210301 [1,1,0,0,0,0|1,0,1]=4 2232 B8R0.5 CCCS(=O)CC(=O)[13CH3] 1458a_100011387404_200025704644 [1,1,0,0,0,0|1,0,1]=4 2233 B8R0.5 CCNC(=O)C=C(C)C 11a_100015525214_100000211388 [1,1,0,0,0,0|2,0,0]=4 2234 B8R0.5 CCNC(=O)C=C(C)C 240690a_100015525214_100000211388 [1,1,0,0,0,0|2,0,0]=4 2235 B8R0.5 CCNC(=O)C=C(C)Cl 11a_100015525214_200042562850 [1,1,0,0,0,0|2,0,0]=4 2236 B8R0.5 CCNC(=O)C=C(C)Cl 240690a_100015525214_200042562850 [1,1,0,0,0,0|2,0,0]=4 2237 B8R0.5 CCNC(=O)C=C(C)I 11a_100015525214_100025716642 [1,1,0,0,0,0|2,0,0]=4 2238 B8R0.5 CCNC(=O)CC(=O)C 1458a_100000070787_100000183381 [1,1,0,0,0,0|1,0,1]=4 2239 B8R0.5 CCOC(=O)CC(=O)C 1458a_100000070787_100000188475 [1,1,0,0,0,0|1,0,1]=4 2240 B8R0.5 CCOC(=O)CC(=O)C 1458a_100000243816_200000210301 [1,1,0,0,0,0|1,0,1]=4 2241 B8R0.5 CCOC(=O)CC(=O)[13CH3] 1458a_100000243816_200025704644 [1,1,0,0,0,0|1,0,1]=4 2242 B8R0.5 CNCC(=O)NC(=O)C 7a_106832991635_100000183797 [1,1,0,0,0,0|2,0,0]=4 2243 B8R0.5 CSCC(=O)NC(=O)C 62a_200000210301_100000183797 [1,1,0,0,0,0|2,0,0]=4 2244 B8R0.28 CC(=O)C/C=C/C(C)C 1458a_100016292215_200000210301 [1,1,0,0,0,0|0,0,2]=4 2245 B8R0.28 CC(=O)C=CCN(C)C 1458a_100000754359_200000210301 [1,1,0,0,0,0|1,0,0]=3 2246 B8R0.28 CC(=O)CCCC(C)C 1458a_100000070787_100011214892 [1,1,0,0,0,0|0,0,2]=4 2247 B8R0.28 CC(=O)CCCC(C)C 1458a_100011216857_200000210301 [1,1,0,0,0,0|0,0,2]=4 2248 B8R0.28 CC(=O)CCCC(C)O 1458a_100000070787_200000718107 [1,1,0,0,0,0|0,0,2]=4 2249 B8R0.28 CC(=O)COCC(C)C 1458a_100011223364_200000210301 [1,1,0,0,0,0|1,0,1]=4 2250 B8R0.28 CC(=O)COCC(C)C 34a_100000211253_100000210624 [1,1,0,0,0,0|1,0,1]=4 2251 B8R0.28 CC(=O)COCC(C)O 34a_100000211253_100011218427 [1,1,0,0,0,0|1,0,1]=4 2252 B8R0.28 CC(=O)COC[C@@H](C)O 34a_100000211253_100009817552 [1,1,0,0,0,0|1,0,1]=4 2253 B8R0.28 CC(=O)NCCC(C)C 11a_100000210545_100015343762 [1,1,0,0,0,0|1,0,1]=4 2254 B8R0.28 CC(=O)NCCC(C)C 1626a_100000210545_100015343762 [1,1,0,0,0,0|1,0,1]=4 2255 B8R0.28 CC(=O)NCCC(C)C 240690a_100000210545_100015343762 [1,1,0,0,0,0|1,0,1]=4 2256 B8R0.28 CC(=O)NCCC(C)C 527a_100000210545_100103153847 [1,1,0,0,0,0|1,0,1]=4 2257 B8R0.28 CC(=O)NCCC(C)O 240690a_200000755665_100015343762 [1,1,0,0,0,0|1,0,1]=4 2258 B8R0.28 CC(=O)NCCC(C)O 527a_200000755665_100103153847 [1,1,0,0,0,0|1,0,1]=4 2259 B8R0.28 CC(=O)NNCC(C)C 22a_100000696102_100000070787 [1,1,0,0,0,0|2,0,0]=4 2260 B8R0.28 CC(=O)NNCC(C)O 22a_200000730056_100000070787 [1,1,0,0,0,0|2,0,0]=4 2261 B8R0.28 CC(C)/C=C/CC(=O)[13CH3] 1458a_100016292215_200025704644 [1,1,0,0,0,0|0,0,2]=4 2262 B8R0.28 CC(C)CCCC(=O)[13CH3] 1458a_100011216857_200025704644 [1,1,0,0,0,0|0,0,2]=4 2263 B8R0.28 CC(C)CNCC(=O)O 269956a_100016091260_100000210760 [1,1,0,0,0,0|1,0,1]=4 2264 B8R0.28 CC(C)COCC(=O)[13CH3] 1458a_100011223364_200025704644 [1,1,0,0,0,0|1,0,1]=4 2265 B8R0.28 CC(O)CNCC(=O)O 269956a_100016091260_100011218427 [1,1,0,0,0,0|1,0,1]=4 2266 B8R0.28 CN(C)CC=CC(=O)[13CH3] 1458a_100000754359_200025704644 [1,1,0,0,0,0|1,0,0]=3 2267 B8R0.28 C[C@@H](O)CNCC(=O)O 269956a_100016091260_100009817552 [1,1,0,0,0,0|1,0,1]=4 2268 B10R0.3 CCCC(=O)C=CCN(C)C 1458a_100000754359_100000210303 [0,2,0,0,0,0|2,0,0]=4 2269 B10R0.3 CCNC(=O)C=CCN(C)C 240690a_100015525214_100000754359 [0,2,0,0,0,0|2,0,0]=4 2270 B10R0.3 CCOC(=O)/C=C/CN(C)C 2230a_100102631434_100016267167 [0,2,0,0,0,0|1,0,0]=3 2271 B10R0.3 CCOC(=O)/C=C/CN(C)C 269982a_100102631434_100016267167 [0,2,0,0,0,0|1,0,0]=3 2272 B10R0.3 CCOC(=O)C=NNC(C)C 4a_100000741168_100000742314 [0,2,0,0,0,0|2,0,0]=4 2273 B10R0.3 CCOC(=O)CNCC(C)C 2230a_100000210953_100000188475 [0,2,0,0,0,0|1,0,1]=4 2274 B10R0.3 CCOC(=O)CNCC(C)C 34a_100000210953_100000188475 [0,2,0,0,0,0|1,0,1]=4 2275 B10R0.3 CCOC(=O)CNCC(C)O 2230a_100000210904_100000188475 [0,2,0,0,0,0|1,0,1]=4 2276 B10R0.3 CCOC(=O)CNCC(C)O 34a_100000210904_100000188475 [0,2,0,0,0,0|1,0,1]=4 2277 B10R0.3 CCOC(=O)COCC(C)Br 34a_100012180447_100000188475 [0,2,0,0,0,0|1,0,1]=4 2278 B10R0.3 CCOC(=O)COCC(C)C 34a_100000210257_100000188475 [0,2,0,0,0,0|1,0,1]=4 2279 B10R0.3 CCOC(=O)COCC(C)F 34a_100015925927_100000188475 [0,2,0,0,0,0|1,0,1]=4 2280 B10R0.3 CCOC(=O)COC[C@@H](C)Cl 34a_100016084084_100000188475 [0,2,0,0,0,0|1,0,1]=4 2281 B10R0.3 CCOC(=O)COC[C@@H](C)N 34a_100000737577_100000188475 [0,2,0,0,0,0|1,0,1]=4 2282 B10R0.3 CCOC(=O)CSCC(C)C 62a_100000188475_100000210760 [0,2,0,0,0,0|1,0,1]=4 2283 B10R0.3 CCOC(=O)CSCC(C)C 62a_100000210624_100000188475 [0,2,0,0,0,0|1,0,1]=4 2284 B10R0.3 CCOC(=O)CSCC(C)O 62a_100000188475_100011218427 [0,2,0,0,0,0|1,0,1]=4 2285 B10R0.3 CCOC(=O)CSCC(C)O 62a_100011218427_100000188475 [0,2,0,0,0,0|1,0,1]=4 2286 B10R0.3 CCOC(=O)CSC[C@@H](C)O 62a_100000188475_100009817552 [0,2,0,0,0,0|1,0,1]=4 2287 B10R0.3 CCOC(=O)CSC[C@@H](C)O 62a_100009817552_100000188475 [0,2,0,0,0,0|1,0,1]=4 2288 B10R0.3 CN(C)CC=CC(=O)CCF 1458a_100000754359_100011217306 [0,2,0,0,0,0|2,0,0]=4 2289 B10R0.3 CN(C)CC=CC(=O)CCO 1458a_100000754359_100000211926 [0,2,0,0,0,0|2,0,0]=4 2290 B10R0.3 CNNC(=O)C=CCN(C)C 22a_100016993582_100000754359 [0,2,0,0,0,0|2,0,0]=4 2291 B10R0.3 COCC(=O)CCCC(C)C 1458a_100000210968_100011214892 [0,2,0,0,0,0|0,0,2]=4 2292 B10R0.3 COCC(=O)CCCC(C)O 1458a_100000210968_200000718107 [0,2,0,0,0,0|0,0,2]=4 2293 B10R0.3 COCC(=O)NCCC(C)C 11a_100000210545_100000210968 [0,2,0,0,0,0|1,0,1]=4 2294 B10R0.3 COCC(=O)NCCC(C)C 1626a_100000210545_100000210968 [0,2,0,0,0,0|1,0,1]=4 2295 B10R0.3 COCC(=O)NCCC(C)C 240690a_100000210545_100000210968 [0,2,0,0,0,0|1,0,1]=4 2296 B10R0.3 COCC(=O)NCCC(C)C 527a_100000210545_100000210968 [0,2,0,0,0,0|1,0,1]=4 2297 B10R0.3 COCC(=O)NCCC(C)O 240690a_200000755665_100000210968 [0,2,0,0,0,0|1,0,1]=4 2298 B10R0.3 COCC(=O)NCCC(C)O 527a_200000755665_100000210968 [0,2,0,0,0,0|1,0,1]=4 2299 B10R0.3 COCC(=O)NNCC(C)C 22a_100000696102_100000210968 [0,2,0,0,0,0|2,0,0]=4 2300 B10R0.3 COCC(=O)NNCC(C)O 22a_200000730056_100000210968 [0,2,0,0,0,0|2,0,0]=4 2301 B10R0.44 C=C(C)CC(=O)CC(=O)OC 1458a_100000211351_100000748629 [0,2,0,0,0,0|0,0,2]=4 2302 B10R0.44 CCC(=CC(=O)CC(C)C)C 1458a_100020758463_100000210624 [0,2,0,0,0,0|2,0,0]=4 2303 B10R0.44 CCC(=CC(=O)CC(C)O)C 1458a_100020758463_100011218427 [0,2,0,0,0,0|2,0,0]=4 2304 B10R0.44 CCC(=O)CC(=O)CC(C)C 1458a_100000210554_100000747405 [0,2,0,0,0,0|1,0,1]=4 2305 B10R0.44 CCC(=O)CC(=O)C[C@@H](C)O 1458a_100011933948_100000747405 [0,2,0,0,0,0|1,0,1]=4 2306 B10R0.44 CNC(=O)CC(=O)CC(C)C 1458a_100000210554_100000183359 [0,2,0,0,0,0|1,0,1]=4 2307 B10R0.44 CNC(=O)CC(=O)C[C@@H](C)O 1458a_100011933948_100000183359 [0,2,0,0,0,0|1,0,1]=4 2308 B10R0.44 COC(=O)CC(=O)CC(C)C 1458a_100000210554_100000747449 [0,2,0,0,0,0|0,0,1]=3 2309 B10R0.44 COC(=O)CC(=O)CC(C)C 1458a_100000211351_100000210624 [0,2,0,0,0,0|0,0,1]=3 2310 B10R0.44 COC(=O)CC(=O)CC(C)O 1458a_100000211351_100011218427 [0,2,0,0,0,0|0,0,1]=3 2311 B10R0.44 COC(=O)CC(=O)CC(F)F 1458a_100000211351_100011934356 [0,2,0,0,0,0|1,0,1]=4 2312 B10R0.44 COC(=O)CC(=O)CN(C)C 1458a_100000750896_100000747449 [0,2,0,0,0,0|1,0,1]=4 2313 B10R0.44 COC(=O)CC(=O)C[C@@H](C)O 1458a_100011933948_100000747449 [0,2,0,0,0,0|0,0,1]=3 2314 B10R0.44 COC(=O)CC(=O)C[S+](C)C 1458a_200159257847_100000747449 [0,2,0,0,0,0|1,0,1]=4 2315 B10R0.44 COC(=O)CC(=O)NC(C)C 240690a_100138425928_100000211351 [0,2,0,0,0,0|1,0,1]=4 2316 B10R0.44 COC(=O)CN(C)CC(C)C 2230a_100000198492_100000210760 [0,2,0,0,0,0|1,0,1]=4 2317 B10R0.44 COC(=O)CN(C)CC(C)C 2230a_100000747067_100000747449 [0,2,0,0,0,0|1,0,1]=4 2318 B10R0.44 COC(=O)CN(C)CC(C)C 269982a_100000747067_100000747449 [0,2,0,0,0,0|1,0,1]=4 2319 B10R0.44 COC(=O)CN(C)CC(C)C 270004a_100000198492_100000210432 [0,2,0,0,0,0|1,0,1]=4 2320 B10R0.44 COC(=O)CN(C)CC(C)O 2230a_100000198492_100011218427 [0,2,0,0,0,0|1,0,1]=4 2321 B10R0.44 COC(=O)CN(C)CC(C)O 2230a_100000227577_100000747449 [0,2,0,0,0,0|1,0,1]=4 2322 B10R0.44 COC(=O)CN(C)CC(C)O 269982a_100000227577_100000747449 [0,2,0,0,0,0|1,0,1]=4 2323 B10R0.44 COC(=O)CN(C)C[C@@H](C)O 2230a_100000198492_100009817552 [0,2,0,0,0,0|1,0,1]=4 2324 B10R0.44 COC(=O)NC(=O)CC(=O)C 1458a_100000070787_100000010850 [0,2,0,0,0,0|1,0,1]=4 2325 B10R0.44 COC(=O)NC(=O)CN(C)C 269982a_100102631434_100000010850 [0,2,0,0,0,0|2,0,0]=4 2326 B10R0.57 C=C(C)CNC(=O)C(=O)OC 11a_100000765925_100000024059 [0,2,0,0,0,0|1,0,1]=4 2327 B10R0.57 C=C(C)CNC(=O)C(=O)OC 1626a_100000765925_100000024059 [0,2,0,0,0,0|1,0,1]=4 2328 B10R0.57 C=C(C)CNC(=O)C(=O)OC 240690a_100000765925_100000024059 [0,2,0,0,0,0|1,0,1]=4 2329 B10R0.57 C=C(C)CNC(=O)C(=O)OC 527a_100000765925_100000024059 [0,2,0,0,0,0|1,0,1]=4 2330 B10R0.57 C=C(CNC(C)C)C(=O)OC 34a_100138425928_100009813391 [0,2,0,0,0,0|1,0,1]=4 2331 B10R0.57 C=C(COC(C)C)C(=O)OC 34a_100000212225_100009813391 [0,2,0,0,0,0|1,0,1]=4 2332 B10R0.57 C=C(CSC(C)C)C(=O)OC 62a_100000210206_100009813391 [0,2,0,0,0,0|1,0,1]=4 2333 B10R0.57 C=C(CSC(C)C)C(=O)OC 62a_100009813391_100000210206 [0,2,0,0,0,0|1,0,1]=4 2334 B10R0.57 CCC(=O)C(=O)NCC(C)C 1458a_200011297155_100000210202 [0,2,0,0,0,0|2,0,0]=4 2335 B10R0.57 CNC(=O)C(=O)CCC(C)C 1458a_100011218921_100000210312 [0,2,0,0,0,0|1,0,1]=4 2336 B10R0.57 CNC(=O)C(=O)CCC(C)O 1458a_100011218921_100012276601 [0,2,0,0,0,0|1,0,1]=4 2337 B10R0.57 CNC(=O)C(=O)NCC(C)C 1626a_100000210953_100011218921 [0,2,0,0,0,0|2,0,0]=4 2338 B10R0.57 CNC(=O)C(=O)NCC(C)C 1626a_100102657272_200011297155 [0,2,0,0,0,0|2,0,0]=4 2339 B10R0.57 CNC(=O)C(=O)NCC(C)C 240690a_100000210953_100011218921 [0,2,0,0,0,0|2,0,0]=4 2340 B10R0.57 CNC(=O)C(=O)NCC(C)C 240690a_100102657272_200011297155 [0,2,0,0,0,0|2,0,0]=4 2341 B10R0.57 CNC(=O)C(=O)NCC(C)C 527a_100000210953_100011218921 [0,2,0,0,0,0|2,0,0]=4 2342 B10R0.57 CNC(=O)C(=O)NCC(C)C 527a_100102657272_200011297155 [0,2,0,0,0,0|2,0,0]=4 2343 B10R0.57 CNC(=O)C(=O)NCC(C)O 240690a_100000210904_100011218921 [0,2,0,0,0,0|2,0,0]=4 2344 B10R0.57 CNC(=O)C(=O)NCC(C)O 527a_100000210904_100011218921 [0,2,0,0,0,0|2,0,0]=4 2345 B10R0.57 COC(=O)C(=NNC(C)C)C 4a_100000741168_100000211753 [0,2,0,0,0,0|2,0,0]=4 2346 B10R0.57 COC(=O)C(=O)CNC(C)C 34a_100138425928_100011610305 [0,2,0,0,0,0|1,0,1]=4 2347 B10R0.57 COC(=O)C(=O)COC(C)C 34a_100000212225_100011610305 [0,2,0,0,0,0|1,0,1]=4 2348 B10R0.57 COC(=O)C(=O)CSC(C)C 62a_100000210206_100011610305 [0,2,0,0,0,0|1,0,1]=4 2349 B10R0.57 COC(=O)C(=O)CSC(C)C 62a_100011610305_100000210206 [0,2,0,0,0,0|1,0,1]=4 2350 B10R0.57 COC(=O)C(=O)NCC(C)C 11a_100000210953_100000024059 [0,2,0,0,0,0|1,0,0]=3 2351 B10R0.57 COC(=O)C(=O)NCC(C)C 1626a_100000210953_100000024059 [0,2,0,0,0,0|1,0,0]=3 2352 B10R0.57 COC(=O)C(=O)NCC(C)C 240690a_100000210953_100000024059 [0,2,0,0,0,0|1,0,0]=3 2353 B10R0.57 COC(=O)C(=O)NCC(C)C 527a_100000210953_100000024059 [0,2,0,0,0,0|1,0,0]=3 2354 B10R0.57 COC(=O)C(=O)NCC(C)O 11a_100000210904_100000024059 [0,2,0,0,0,0|1,0,0]=3 2355 B10R0.57 COC(=O)C(=O)NCC(C)O 240690a_100000210904_100000024059 [0,2,0,0,0,0|1,0,0]=3 2356 B10R0.57 COC(=O)C(=O)NCC(C)O 527a_100000210904_100000024059 [0,2,0,0,0,0|1,0,0]=3 2357 B10R0.57 COC(=O)C(=O)NCC(F)F 11a_100000765723_100000024059 [0,2,0,0,0,0|2,0,0]=4 2358 B10R0.57 COC(=O)C(=O)NCC(F)F 1626a_100000765723_100000024059 [0,2,0,0,0,0|2,0,0]=4 2359 B10R0.57 COC(=O)C(=O)NCC(F)F 240690a_100000765723_100000024059 [0,2,0,0,0,0|2,0,0]=4 2360 B10R0.57 COC(=O)C(=O)NCC(F)F 527a_100000765723_100000024059 [0,2,0,0,0,0|2,0,0]=4 2361 B10R0.57 COC(=O)C(C)NCC(C)C 2230a_100000210953_100000211248 [0,2,0,0,0,0|1,0,1]=4 2362 B10R0.57 COC(=O)C(C)NCC(C)C 34a_100000210953_100000211248 [0,2,0,0,0,0|1,0,1]=4 2363 B10R0.57 COC(=O)C(C)NCC(C)O 2230a_100000210904_100000211248 [0,2,0,0,0,0|1,0,1]=4 2364 B10R0.57 COC(=O)C(C)NCC(C)O 34a_100000210904_100000211248 [0,2,0,0,0,0|1,0,1]=4 2365 B10R0.57 COC(=O)C(C)OCC(C)Br 34a_100012180447_100000211248 [0,2,0,0,0,0|1,0,1]=4 2366 B10R0.57 COC(=O)C(C)OCC(C)C 34a_100000210257_100000211248 [0,2,0,0,0,0|1,0,1]=4 2367 B10R0.57 COC(=O)C(C)OCC(C)C 34a_100011215400_100000210624 [0,2,0,0,0,0|1,0,1]=4 2368 B10R0.57 COC(=O)C(C)OCC(C)F 34a_100015925927_100000211248 [0,2,0,0,0,0|1,0,1]=4 2369 B10R0.57 COC(=O)C(C)OCC(C)O 34a_100011215400_100011218427 [0,2,0,0,0,0|1,0,1]=4 2370 B10R0.57 COC(=O)C(C)OC[C@@H](C)Cl 34a_100016084084_100000211248 [0,2,0,0,0,0|1,0,1]=4 2371 B10R0.57 COC(=O)C(C)OC[C@@H](C)N 34a_100000737577_100000211248 [0,2,0,0,0,0|1,0,1]=4 2372 B10R0.57 COC(=O)C(C)OC[C@@H](C)O 34a_100011215400_100009817552 [0,2,0,0,0,0|1,0,1]=4 2373 B10R0.57 COC(=O)C(C)SCC(C)C 62a_100000210624_100000211248 [0,2,0,0,0,0|1,0,1]=4 2374 B10R0.57 COC(=O)C(C)SCC(C)C 62a_100000211248_100000210760 [0,2,0,0,0,0|1,0,1]=4 2375 B10R0.57 COC(=O)C(C)SCC(C)O 62a_100000211248_100011218427 [0,2,0,0,0,0|1,0,1]=4 2376 B10R0.57 COC(=O)C(C)SCC(C)O 62a_100011218427_100000211248 [0,2,0,0,0,0|1,0,1]=4 2377 B10R0.57 COC(=O)C(C)SC[C@@H](C)O 62a_100000211248_100009817552 [0,2,0,0,0,0|1,0,1]=4 2378 B10R0.57 COC(=O)C(C)SC[C@@H](C)O 62a_100009817552_100000211248 [0,2,0,0,0,0|1,0,1]=4 2379 B10R0.59 C=CC(C)COCC(=O)OC 34a_100011215527_100000747449 [0,2,0,0,0,0|1,0,1]=4 2380 B10R0.59 C=CC(C)COCC(=O)OC 7a_100011215527_100000747449 [0,2,0,0,0,0|1,0,1]=4 2381 B10R0.59 CCC(=O)CCCC(=O)OC 1458a_100000210414_100011218270 [0,2,0,0,0,0|0,0,2]=4 2382 B10R0.59 CCC(=O)CCCC(=O)OC 1458a_100000239890_100000210202 [0,2,0,0,0,0|0,0,2]=4 2383 B10R0.59 CCC(=O)COCC(=O)OC 34a_100000725409_100000747449 [0,2,0,0,0,0|1,0,1]=4 2384 B10R0.59 CCC(=O)CSCC(=O)OC 1458a_100000191316_100000210202 [0,2,0,0,0,0|1,0,1]=4 2385 B10R0.59 CCC(=O)CSCC(=O)OC 62a_100000747405_100000747449 [0,2,0,0,0,0|1,0,1]=4 2386 B10R0.59 CCC(=O)CSCC(=O)OC 62a_100000747449_100000747405 [0,2,0,0,0,0|1,0,1]=4 2387 B10R0.59 CCC(=O)NN=CC(=O)OC 4a_100000183195_200011823558 [0,2,0,0,0,0|1,0,1]=4 2388 B10R0.59 CCC(=O)NN=CC(C)CC 4a_100000183195_100000243153 [0,2,0,0,0,0|2,0,0]=4 2389 B10R0.59 CCC(C)CNCC(=O)OC 2230a_100020588543_100000747449 [0,2,0,0,0,0|0,0,2]=4 2390 B10R0.59 CCC(C)CSCC(=O)OC 62a_100000747449_100000748023 [0,2,0,0,0,0|0,0,2]=4 2391 B10R0.59 CCC(C)CSCC(=O)OC 62a_100000748023_100000747449 [0,2,0,0,0,0|0,0,2]=4 2392 B10R0.59 CCC(C)NCCC(=O)OC 2230a_100000209981_100000204255 [0,2,0,0,0,0|0,0,2]=4 2393 B10R0.59 CCC(C)NN=CC(=O)OC 4a_100000718999_200011823558 [0,2,0,0,0,0|1,0,0]=3 2394 B10R0.59 CCC(C)OCCC(=O)OC 7a_100000210228_100000204255 [0,2,0,0,0,0|0,0,2]=4 2395 B10R0.59 CCC(C)SCCC(=O)OC 62a_100000204255_100000758301 [0,2,0,0,0,0|0,0,2]=4 2396 B10R0.59 CCC(C)SCCC(=O)OC 62a_100000758301_100000204255 [0,2,0,0,0,0|0,0,2]=4 2397 B10R0.59 CCC(C)SCOC(=O)OC 62a_100000758301_100000139417 [0,2,0,0,0,0|1,0,1]=4 2398 B10R0.59 CCC(O)CNCC(=O)OC 2230a_100011218483_100000747449 [0,2,0,0,0,0|0,0,2]=4 2399 B10R0.59 CCC(O)CSCC(=O)OC 62a_100000747449_100011218378 [0,2,0,0,0,0|0,0,2]=4 2400 B10R0.59 CCC(O)CSCC(=O)OC 62a_100011218378_100000747449 [0,2,0,0,0,0|0,0,2]=4 2401 B10R0.59 CCN(C)C/C=C/C(=O)OC 2230a_100000225621_100000742655 [0,2,0,0,0,0|0,0,0]=2 2402 B10R0.59 CCN(C)C/C=C/C(=O)OC 269982a_100000225621_100000742655 [0,2,0,0,0,0|0,0,0]=2 2403 B10R0.59 CCN(C)CCCC(=O)OC 2230a_100000225621_100011218270 [0,2,0,0,0,0|0,0,2]=4 2404 B10R0.59 CCN(C)CCCC(=O)OC 269982a_100000225621_100011218270 [0,2,0,0,0,0|0,0,2]=4 2405 B10R0.59 CCN(C)CCCC(=O)OC 269982a_100000739225_100000204670 [0,2,0,0,0,0|0,0,2]=4 2406 B10R0.59 CC[C@H](C)COCC(=O)OC 7a_100009816381_100000747449 [0,2,0,0,0,0|0,0,2]=4 2407 B10R0.59 CC[C@H](C)CSCC(=O)OC 62a_100000747449_100009816398 [0,2,0,0,0,0|0,0,2]=4 2408 B10R0.59 CC[C@H](C)CSCC(=O)OC 62a_100009816398_100000747449 [0,2,0,0,0,0|0,0,2]=4 2409 B10R0.59 COC(=O)CNCC(C)CO 34a_100000744482_100000747449 [0,2,0,0,0,0|1,0,1]=4 2410 B10R0.59 COC(=O)CNC[C@@H](C)OC 2230a_100020591295_100000747449 [0,2,0,0,0,0|1,0,1]=4 2411 B10R0.59 COC(=O)CNC[C@@H](F)CO 34a_100015665980_100000747449 [0,2,0,0,0,0|1,0,1]=4 2412 B10R0.59 COC(=O)CNC[C@H](O)CO 2230a_100020644852_100000747449 [0,2,0,0,0,0|1,0,1]=4 2413 B10R0.59 COC(=O)COCC(C)CN 34a_100000744482_100000747449 [0,2,0,0,0,0|1,0,1]=4 2414 B10R0.59 COC(=O)COCC(C)OC 34a_100000690652_100000747449 [0,2,0,0,0,0|1,0,1]=4 2415 B10R0.59 COC(=O)COCC(Cl)CCl 34a_100000033668_100000747449 [0,2,0,0,0,0|1,0,1]=4 2416 B10R0.59 COC(=O)COC[C@H](F)CN 34a_100015665980_100000747449 [0,2,0,0,0,0|1,0,1]=4 2417 B10R0.59 COC(=O)CSCC(O)CO 62a_100000747449_100011219619 [0,2,0,0,0,0|1,0,1]=4 2418 B10R0.59 COC(=O)CSCC(O)CO 62a_100011219619_100000747449 [0,2,0,0,0,0|1,0,1]=4 2419 B10R0.59 COC(=O)CSC[C@@H](C)CO 62a_100000059175_100000747449 [0,2,0,0,0,0|1,0,1]=4 2420 B10R0.59 COC(=O)CSC[C@@H](C)CO 62a_100000747449_100000059175 [0,2,0,0,0,0|1,0,1]=4 2421 B10R0.59 COC(=O)CSC[C@@H](O)CF 62a_100000747449_100015614560 [0,2,0,0,0,0|1,0,1]=4 2422 B10R0.59 COC(=O)CSC[C@@H](O)CF 62a_100015614560_100000747449 [0,2,0,0,0,0|1,0,1]=4 2423 B10R0.59 COC(=O)CSC[C@@H](O)CO 62a_100000747449_100009815848 [0,2,0,0,0,0|1,0,1]=4 2424 B10R0.59 COC(=O)CSC[C@@H](O)CO 62a_100009815848_100000747449 [0,2,0,0,0,0|1,0,1]=4 2425 B10R0.60 COC(=O)C=NNC(C)(C)C 4a_100000725372_200011823558 [0,2,0,0,0,0|2,0,0]=4 2426 B10R0.60 COC(=O)CNCC(C)(C)C 2230a_100000743828_100000747449 [0,2,0,0,0,0|1,0,1]=4 2427 B10R0.60 COC(=O)CNCC(C)(C)F 2230a_100020643315_100000747449 [0,2,0,0,0,0|1,0,1]=4 2428 B10R0.60 COC(=O)CNCC(C)(C)O 2230a_100000751335_100000747449 [0,2,0,0,0,0|1,0,1]=4 2429 B10R0.60 COC(=O)COCC(C)(C)F 34a_100000716592_100000747449 [0,2,0,0,0,0|1,0,1]=4 2430 B10R0.60 COC(=O)COCC(C)(F)F 34a_100000068830_100000747449 [0,2,0,0,0,0|1,0,1]=4 2431 B10R0.60 COC(=O)CSCC(C)(C)C 62a_100000747449_100011219605 [0,2,0,0,0,0|1,0,1]=4 2432 B10R0.60 COC(=O)CSCC(C)(C)C 62a_100011219605_100000747449 [0,2,0,0,0,0|1,0,1]=4 2433 B10R0.60 COC(=O)CSCC(C)(C)F 62a_100000747449_100011997219 [0,2,0,0,0,0|1,0,1]=4 2434 B10R0.60 COC(=O)CSCC(C)(C)F 62a_100011997219_100000747449 [0,2,0,0,0,0|1,0,1]=4 2435 B10R0.60 COC(=O)CSCC(C)(C)O 62a_100000747449_100000764493 [0,2,0,0,0,0|1,0,1]=4 2436 B10R0.60 COC(=O)CSCC(C)(C)O 62a_100000764493_100000747449 [0,2,0,0,0,0|1,0,1]=4 2437 B10R0.82 CCC(=O)C=CC(=O)N(C)C 1458a_100011200747_100000210202 [0,2,0,0,0,0|1,0,1]=4 2438 B10R0.82 CNC(=O)C=CC(=O)C(C)C 1458a_100016259477_100000210206 [0,2,0,0,0,0|1,0,1]=4 2439 B10R0.82 COC(=O)C=CC(=O)N(C)C 1626a_100102631434_100016283253 [0,2,0,0,0,0|1,0,1]=4 2440 B10R0.82 COC(=O)CNC(C)C(C)C 2230a_100000211541_100000747449 [0,2,0,0,0,0|1,0,1]=4 2441 B10R0.82 COC(=O)COC(C)C(C)C 7a_100000748068_100000747449 [0,2,0,0,0,0|1,0,1]=4 2442 B10R0.98 CC(C)C(=O)C=CCN(C)C 1458a_100000754359_100000210206 [0,2,0,0,0,0|2,0,0]=4 2443 B10R0.98 CN(C)CC=CC(=O)N(C)C 240690a_100102631434_100000754359 [0,2,0,0,0,0|2,0,0]=4 2444 B10R0.1 C#CCC(=O)C/C=C/CCC 1458a_200016266809_100000184674 [0,2,0,0,0,0|1,0,1]=4 2445 B10R0.1 C#CCC(=O)C=CCCCC 1458a_100016266645_100000184674 [0,2,0,0,0,0|1,0,1]=4 2446 B10R0.1 C=CCC(=O)C/C=C/CCC 1458a_200016266809_100000210623 [0,2,0,0,0,0|1,0,1]=4 2447 B10R0.1 C=CCC(=O)C=CCCCC 1458a_100016266645_100000210623 [0,2,0,0,0,0|1,0,1]=4 2448 B10R0.1 CC/C=C\CCC(=O)COC 1458a_100000210968_100015370543 [0,2,0,0,0,0|0,0,2]=4 2449 B10R0.1 CCC/C=C/CC(=O)CC#N 1458a_200016266809_100011214920 [0,2,0,0,0,0|1,0,1]=4 2450 B10R0.1 CCC/C=C/CC(=O)CCC 1458a_200016266809_100000210303 [0,2,0,0,0,0|1,0,0]=3 2451 B10R0.1 CCC/C=C/CC(=O)CCF 1458a_200016266809_100011217306 [0,2,0,0,0,0|1,0,0]=3 2452 B10R0.1 CCC/C=C/CC(=O)CCO 1458a_200016266809_100000211926 [0,2,0,0,0,0|1,0,0]=3 2453 B10R0.1 CCC/C=C/CC(=O)NCC 11a_100015525214_200016266809 [0,2,0,0,0,0|1,0,0]=3 2454 B10R0.1 CCC/C=C/CC(=O)NCC 240690a_100015525214_200016266809 [0,2,0,0,0,0|1,0,0]=3 2455 B10R0.1 CCC/C=C/CC(=O)NCC 527a_100015525214_200016266809 [0,2,0,0,0,0|1,0,0]=3 2456 B10R0.1 CCC/C=C/CC(=O)NNC 22a_100016993582_200016266809 [0,2,0,0,0,0|1,0,0]=3 2457 B10R0.1 CCCC=NNC(=O)CCC 4a_100000189770_100000185831 [0,2,0,0,0,0|2,0,0]=4 2458 B10R0.1 CCCC=NNC(=O)COC 4a_100000216845_100000185831 [0,2,0,0,0,0|1,0,0]=3 2459 B10R0.1 CCCCC=CC(=O)CC#N 1458a_100016266645_100011214920 [0,2,0,0,0,0|1,0,1]=4 2460 B10R0.1 CCCCC=CC(=O)CCC 1458a_100016266645_100000210303 [0,2,0,0,0,0|1,0,0]=3 2461 B10R0.1 CCCCC=CC(=O)CCF 1458a_100016266645_100011217306 [0,2,0,0,0,0|1,0,0]=3 2462 B10R0.1 CCCCC=CC(=O)CCO 1458a_100016266645_100000211926 [0,2,0,0,0,0|1,0,0]=3 2463 B10R0.1 CCCCC=CC(=O)NCC 11a_100015525214_100016266645 [0,2,0,0,0,0|1,0,0]=3 2464 B10R0.1 CCCCC=CC(=O)NCC 240690a_100015525214_100016266645 [0,2,0,0,0,0|1,0,0]=3 2465 B10R0.1 CCCCC=CC(=O)NNC 22a_100016993582_100016266645 [0,2,0,0,0,0|1,0,0]=3 2466 B10R0.1 CCCCCCC(=O)COC 1458a_100000210968_100000210757 [0,2,0,0,0,0|0,0,2]=4 2467 B10R0.1 CCCCCNC(=O)COC 11a_100000209983_100000210968 [0,2,0,0,0,0|0,0,2]=4 2468 B10R0.1 CCCCCNC(=O)COC 1626a_100000209983_100000210968 [0,2,0,0,0,0|0,0,2]=4 2469 B10R0.1 CCCCCNC(=O)COC 240690a_100000209983_100000210968 [0,2,0,0,0,0|0,0,2]=4 2470 B10R0.1 CCCCCNC(=O)COC 34a_100138415774_100000230301 [0,2,0,0,0,0|0,0,2]=4 2471 B10R0.1 CCCCCNC(=O)COC 527a_100000209983_100000210968 [0,2,0,0,0,0|0,0,2]=4 2472 B10R0.1 CCCCNCC(=O)OCC 2230a_100000102301_100000188475 [0,2,0,0,0,0|0,0,2]=4 2473 B10R0.1 CCCCNCC(=O)OCC 7a_106832991798_100000188475 [0,2,0,0,0,0|0,0,2]=4 2474 B10R0.1 CCCCNNC(=O)COC 22a_100025702795_100000210968 [0,2,0,0,0,0|1,0,1]=4 2475 B10R0.1 CCCCOCC(=O)COC 1458a_100000210968_100011995733 [0,2,0,0,0,0|0,0,2]=4 2476 B10R0.1 CCCCOCC(=O)OCC 34a_100000210227_100000188475 [0,2,0,0,0,0|0,0,2]=4 2477 B10R0.1 CCCCOCC(=O)OCC 7a_100000210227_100000188475 [0,2,0,0,0,0|0,0,2]=4 2478 B10R0.1 CCCCSCC(=O)OCC 62a_100000188475_100000210210 [0,2,0,0,0,0|0,0,2]=4 2479 B10R0.1 CCCCSCC(=O)OCC 62a_100000210211_100000188475 [0,2,0,0,0,0|0,0,2]=4 2480 B10R0.1 CCCNN=CC(=O)OCC 4a_100000740057_100000742314 [0,2,0,0,0,0|1,0,0]=3 2481 B10R0.1 CCCOCCC(=O)COC 1458a_100000210968_100011215938 [0,2,0,0,0,0|0,0,2]=4 2482 B10R0.1 CCCOCCC(=O)OCC 34a_100000210258_100000765890 [0,2,0,0,0,0|0,0,2]=4 2483 B10R0.1 CCCSCCC(=O)OCC 62a_100000210303_100000765890 [0,2,0,0,0,0|0,0,2]=4 2484 B10R0.1 CCCSCCC(=O)OCC 62a_100000765890_100000210303 [0,2,0,0,0,0|0,0,2]=4 2485 B10R0.1 CCCSCOC(=O)OCC 62a_100000210303_100000075025 [0,2,0,0,0,0|1,0,1]=4 2486 B10R0.1 CCNC/C=C/C(=O)OCC 2230a_100015525214_100016267167 [0,2,0,0,0,0|0,0,0]=2 2487 B10R0.1 CCNCCCC(=O)OCC 2230a_100015525214_100009991533 [0,2,0,0,0,0|0,0,2]=4 2488 B10R0.1 CCNN=C[CH-]C(=O)OCC 4a_100000756455_100010622808 [0,2,0,0,0,0|1,0,1]=4 2489 B10R0.1 CCOC(=O)/C=C/CSCC 62a_100000210202_100016267167 [0,2,0,0,0,0|0,0,0]=2 2490 B10R0.1 CCOC(=O)/C=C/CSCC 62a_100016267167_100000210202 [0,2,0,0,0,0|0,0,0]=2 2491 B10R0.1 CCOC(=O)/C=C/CSCF 62a_100015361967_100016267167 [0,2,0,0,0,0|1,0,0]=3 2492 B10R0.1 CCOC(=O)/C=C/CSCF 62a_100016267167_100015361967 [0,2,0,0,0,0|1,0,0]=3 2493 B10R0.1 CCOC(=O)C=NNCCO 4a_100000210001_100000742314 [0,2,0,0,0,0|2,0,0]=4 2494 B10R0.1 CCOC(=O)CCCCNC 2230a_106832991635_100000750268 [0,2,0,0,0,0|0,0,2]=4 2495 B10R0.1 CCOC(=O)CCCCNC 34a_100102657272_100000750268 [0,2,0,0,0,0|0,0,2]=4 2496 B10R0.1 CCOC(=O)CCCCNC 7a_106832991635_100000750268 [0,2,0,0,0,0|0,0,2]=4 2497 B10R0.1 CCOC(=O)CCCCOC 34a_100138415774_100000750268 [0,2,0,0,0,0|0,0,2]=4 2498 B10R0.1 CCOC(=O)CCCCSC 62a_100000750268_200000210301 [0,2,0,0,0,0|0,0,2]=4 2499 B10R0.1 CCOC(=O)CCCCSC 62a_200000210301_100000750268 [0,2,0,0,0,0|0,0,2]=4 2500 B10R0.1 CCOC(=O)CCCCS[13CH3] 62a_100000750268_200025704644 [0,2,0,0,0,0|0,0,2]=4 2501 B10R0.1 CCOC(=O)CCCCS[13CH3] 62a_200025704644_100000750268 [0,2,0,0,0,0|0,0,2]=4 2502 B10R0.1 CCOC(=O)CCCSCC 62a_100000210202_100009991533 [0,2,0,0,0,0|0,0,2]=4 2503 B10R0.1 CCOC(=O)CCCSCC 62a_100009991533_100000210202 [0,2,0,0,0,0|0,0,2]=4 2504 B10R0.1 CCOC(=O)CNCCCF 2230a_100015189416_100000188475 [0,2,0,0,0,0|1,0,1]=4 2505 B10R0.1 CCOC(=O)CNCCCF 34a_100015189416_100000188475 [0,2,0,0,0,0|1,0,1]=4 2506 B10R0.1 CCOC(=O)CNCCOC 2230a_100000209980_100000188475 [0,2,0,0,0,0|1,0,1]=4 2507 B10R0.1 CCOC(=O)CNCCSC 2230a_100020590264_100000188475 [0,2,0,0,0,0|1,0,1]=4 2508 B10R0.1 CCOC(=O)COCCCBr 34a_100011217188_100000188475 [0,2,0,0,0,0|1,0,1]=4 2509 B10R0.1 CCOC(=O)COCCCCl 34a_100000230001_100000188475 [0,2,0,0,0,0|1,0,1]=4 2510 B10R0.1 CCOC(=O)COCCCF 34a_100000759539_100000188475 [0,2,0,0,0,0|1,0,1]=4 2511 B10R0.1 CCOC(=O)COCCCN 34a_100000182051_100000188475 [0,2,0,0,0,0|1,0,1]=4 2512 B10R0.1 CCOC(=O)COCCNC 2230a_106832991635_100000088970 [0,2,0,0,0,0|1,0,1]=4 2513 B10R0.1 CCOC(=O)COCCNC 34a_100102657272_100000088970 [0,2,0,0,0,0|1,0,1]=4 2514 B10R0.1 CCOC(=O)COCCNC 7a_106832991635_100000088970 [0,2,0,0,0,0|1,0,1]=4 2515 B10R0.1 CCOC(=O)COCCOC 34a_100000210237_100000188475 [0,2,0,0,0,0|1,0,1]=4 2516 B10R0.1 CCOC(=O)COCCOC 34a_100138415774_100000088970 [0,2,0,0,0,0|1,0,1]=4 2517 B10R0.1 CCOC(=O)COCCSC 34a_100000230434_100000188475 [0,2,0,0,0,0|1,0,1]=4 2518 B10R0.1 CCOC(=O)COCCSC 62a_100000088970_200000210301 [0,2,0,0,0,0|1,0,1]=4 2519 B10R0.1 CCOC(=O)COCCSC 62a_200000210301_100000088970 [0,2,0,0,0,0|1,0,1]=4 2520 B10R0.1 CCOC(=O)COCCSC 7a_100000230434_100000188475 [0,2,0,0,0,0|1,0,1]=4 2521 B10R0.1 CCOC(=O)COCCS[13CH3] 62a_100000088970_200025704644 [0,2,0,0,0,0|1,0,1]=4 2522 B10R0.1 CCOC(=O)COCCS[13CH3] 62a_200025704644_100000088970 [0,2,0,0,0,0|1,0,1]=4 2523 B10R0.1 CCOC(=O)CSCCCF 62a_100000188475_100011934791 [0,2,0,0,0,0|1,0,1]=4 2524 B10R0.1 CCOC(=O)CSCCCF 62a_100011934791_100000188475 [0,2,0,0,0,0|1,0,1]=4 2525 B10R0.1 CCOC(=O)CSCCCO 62a_100000188475_100011215043 [0,2,0,0,0,0|1,0,1]=4 2526 B10R0.1 CCOC(=O)CSCCCO 62a_100011215043_100000188475 [0,2,0,0,0,0|1,0,1]=4 2527 B10R0.1 CCOC(=O)CSCCOC 62a_100000188475_100000233755 [0,2,0,0,0,0|1,0,1]=4 2528 B10R0.1 CCOC(=O)CSCCOC 62a_100000233755_100000188475 [0,2,0,0,0,0|1,0,1]=4 2529 B10R0.1 CCOC(=O)CSCCOC 7a_200000230590_200000210301 [0,2,0,0,0,0|1,0,1]=4 2530 B10R0.1 CCOC(=O)CSCCO[13CH3] 7a_200000230590_200025704644 [0,2,0,0,0,0|1,0,1]=4 2531 B10R0.1 CCOC(=O)CSCCSC 62a_100000188475_100000751147 [0,2,0,0,0,0|1,0,1]=4 2532 B10R0.1 CCOC(=O)CSCCSC 62a_100000212216_100000188475 [0,2,0,0,0,0|1,0,1]=4 2533 B10R0.1 CCOC(=O)NCCSCC 62a_100000210202_200011445536 [0,2,0,0,0,0|1,0,1]=4 2534 B10R0.1 CCOC(=O)NN=CCSC 62a_200000210301_100015372823 [0,2,0,0,0,0|2,0,0]=4 2535 B10R0.1 CCOC(=O)NN=CCS[13CH3] 62a_200025704644_100015372823 [0,2,0,0,0,0|2,0,0]=4 2536 B10R0.1 CCOC/C=C/C(=O)OCC 34a_100121572206_100016267167 [0,2,0,0,0,0|0,0,0]=2 2537 B10R0.1 CCOCCCC(=O)COC 1458a_100000210968_100012232248 [0,2,0,0,0,0|0,0,2]=4 2538 B10R0.1 CCOCCCC(=O)OCC 34a_100121572206_100009991533 [0,2,0,0,0,0|0,0,2]=4 2539 B10R0.1 CCOCCCC(=O)OCC 7a_100012001163_100000210202 [0,2,0,0,0,0|0,0,2]=4 2540 B10R0.1 CCOCCNC(=O)COC 11a_100011200944_100000210968 [0,2,0,0,0,0|1,0,1]=4 2541 B10R0.1 CCOCCNC(=O)COC 1626a_102516460346_100000210968 [0,2,0,0,0,0|1,0,1]=4 2542 B10R0.1 CCOCCNC(=O)COC 240690a_100011200944_100000210968 [0,2,0,0,0,0|1,0,1]=4 2543 B10R0.1 CCOCCNC(=O)COC 527a_100011200944_100000210968 [0,2,0,0,0,0|1,0,1]=4 2544 B10R0.1 CCOCCNC(=O)OCC 34a_100000158857_100000210202 [0,2,0,0,0,0|1,0,1]=4 2545 B10R0.1 CCOCCOC(=O)COC 34a_100138415774_200000101388 [0,2,0,0,0,0|1,0,1]=4 2546 B10R0.1 CCOCSCC(=O)OCC 62a_100000188475_100000739092 [0,2,0,0,0,0|1,0,1]=4 2547 B10R0.1 CCOCSCC(=O)OCC 62a_100000739092_100000188475 [0,2,0,0,0,0|1,0,1]=4 2548 B10R0.1 CCSCCNC(=O)COC 11a_100000106463_100000210968 [0,2,0,0,0,0|1,0,1]=4 2549 B10R0.1 CCSCCNC(=O)COC 1626a_100000106463_100000210968 [0,2,0,0,0,0|1,0,1]=4 2550 B10R0.1 CCSCCNC(=O)COC 240690a_100000106463_100000210968 [0,2,0,0,0,0|1,0,1]=4 2551 B10R0.1 CCSCCNC(=O)COC 527a_100000106463_100000210968 [0,2,0,0,0,0|1,0,1]=4 2552 B10R0.1 COCC(=O)CCCCCF 1458a_100000210968_100000729378 [0,2,0,0,0,0|0,0,2]=4 2553 B10R0.1 COCC(=O)CCCCCO 1458a_100000210968_100000746330 [0,2,0,0,0,0|0,0,2]=4 2554 B10R0.1 COCC(=O)NCCCCO 240690a_100000750430_100000210968 [0,2,0,0,0,0|1,0,1]=4 2555 B10R0.1 COCC(=O)NCCCCO 527a_100000750430_100000210968 [0,2,0,0,0,0|1,0,1]=4 2556 B10R0.1 COCC(=O)NCCCSC 11a_100000749238_100000210968 [0,2,0,0,0,0|1,0,1]=4 2557 B10R0.1 COCC(=O)NCCCSC 1626a_100000749238_100000210968 [0,2,0,0,0,0|1,0,1]=4 2558 B10R0.1 COCC(=O)NCCCSC 240690a_100000749238_100000210968 [0,2,0,0,0,0|1,0,1]=4 2559 B10R0.1 COCC(=O)NCCCSC 527a_100000749238_100000210968 [0,2,0,0,0,0|1,0,1]=4 2560 B10R0.1 COCCCCC(=O)COC 1458a_100000210968_100000755781 [0,2,0,0,0,0|0,0,2]=4 2561 B10R0.1 COCCCNC(=O)COC 1626a_100150723488_100000210968 [0,2,0,0,0,0|1,0,1]=4 2562 B10R0.1 COCCCNC(=O)COC 240690a_100150723488_100000210968 [0,2,0,0,0,0|1,0,1]=4 2563 B10R0.1 COCCCNC(=O)COC 34a_100138415774_100000183178 [0,2,0,0,0,0|1,0,1]=4 2564 B10R0.1 COCCCNC(=O)COC 527a_100150723488_100000210968 [0,2,0,0,0,0|1,0,1]=4 2565 B10R0.1 COCCNNC(=O)COC 22a_100000741390_100000210968 [0,2,0,0,0,0|2,0,0]=4 2566 B10R0.2 C#CCC(=O)C=C(C)CCC 1458a_100020676950_100000184674 [0,2,0,0,0,0|1,0,1]=4 2567 B10R0.2 C=C(CCC)CC(=O)CCC 1458a_100000138376_100000210303 [0,2,0,0,0,0|1,0,1]=4 2568 B10R0.2 C=C(CCC)CC(=O)CCF 1458a_100000138376_100011217306 [0,2,0,0,0,0|1,0,1]=4 2569 B10R0.2 C=C(CCC)CC(=O)CCO 1458a_100000138376_100000211926 [0,2,0,0,0,0|1,0,1]=4 2570 B10R0.2 C=C(CCC)CC(=O)NCC 11a_100015525214_100000138376 [0,2,0,0,0,0|1,0,1]=4 2571 B10R0.2 C=C(CCC)CC(=O)NCC 240690a_100015525214_100000138376 [0,2,0,0,0,0|1,0,1]=4 2572 B10R0.2 C=C(CCC)CC(=O)NCC 527a_100015525214_100000138376 [0,2,0,0,0,0|1,0,1]=4 2573 B10R0.2 C=C(CCC)CC(=O)NNC 22a_100016993582_100000138376 [0,2,0,0,0,0|1,0,1]=4 2574 B10R0.2 C=CCC(=O)C=C(C)CCC 1458a_100020676950_100000210623 [0,2,0,0,0,0|1,0,1]=4 2575 B10R0.2 C=COC(=O)CC(=O)CCC 1458a_100000211992_100000036128 [0,2,0,0,0,0|0,0,2]=4 2576 B10R0.2 CC#CC(=O)CC(=O)CCC 1458a_100000763181_100000747444 [0,2,0,0,0,0|1,0,1]=4 2577 B10R0.2 CC=CC(=O)CC(=O)CCC 1458a_100000210699_100000747444 [0,2,0,0,0,0|1,0,1]=4 2578 B10R0.2 CCCC(=CC(=O)CC#N)C 1458a_100020676950_100011214920 [0,2,0,0,0,0|1,0,1]=4 2579 B10R0.2 CCCC(=CC(=O)CCF)C 1458a_100020676950_100011217306 [0,2,0,0,0,0|1,0,0]=3 2580 B10R0.2 CCCC(=CC(=O)CCO)C 1458a_100020676950_100000211926 [0,2,0,0,0,0|1,0,0]=3 2581 B10R0.2 CCCC(=CC(=O)NCC)C 11a_100015525214_100020676950 [0,2,0,0,0,0|1,0,0]=3 2582 B10R0.2 CCCC(=CC(=O)NCC)C 240690a_100015525214_100020676950 [0,2,0,0,0,0|1,0,0]=3 2583 B10R0.2 CCCC(=CC(=O)NNC)C 22a_100016993582_100020676950 [0,2,0,0,0,0|1,0,0]=3 2584 B10R0.2 CCCC(=O)C=C(C)CCC 1458a_100020676950_100000210303 [0,2,0,0,0,0|1,0,0]=3 2585 B10R0.2 CCCC(=O)CC(=O)CCC 1458a_100000211992_100000747444 [0,2,0,0,0,0|1,0,1]=4 2586 B10R0.2 CCCC(=O)CC(=O)CCO 1458a_100011216618_100000747444 [0,2,0,0,0,0|1,0,1]=4 2587 B10R0.2 CCCC(=O)CC(=O)COC 1458a_100000210968_100000747444 [0,2,0,0,0,0|0,0,1]=3 2588 B10R0.2 CCCC(=O)CC(=O)CSC 1458a_100000184570_100000747444 [0,2,0,0,0,0|0,1,1]=4 2589 B10R0.2 CCCC(=O)CC(=O)NCC 1458a_100000211992_100000183381 [0,2,0,0,0,0|1,0,1]=4 2590 B10R0.2 CCCC(=O)CC(=O)NCO 1458a_100000211992_100000185155 [0,2,0,0,0,0|1,0,1]=4 2591 B10R0.2 CCCC(=O)CC(=O)OCC 1458a_100000211992_100000188475 [0,2,0,0,0,0|0,0,1]=3 2592 B10R0.2 CCCC(=O)CC(=O)OCC 1458a_100000243816_100000210303 [0,2,0,0,0,0|0,0,1]=3 2593 B10R0.2 CCCC(C)CC(=O)COC 1458a_100000210968_100011216630 [0,2,0,0,0,0|0,0,2]=4 2594 B10R0.2 CCCC(C)NC(=O)COC 11a_100000741246_100000210968 [0,2,0,0,0,0|1,0,1]=4 2595 B10R0.2 CCCC(C)NC(=O)COC 1626a_100000741246_100000210968 [0,2,0,0,0,0|1,0,1]=4 2596 B10R0.2 CCCC(C)NC(=O)COC 240690a_100000741246_100000210968 [0,2,0,0,0,0|1,0,1]=4 2597 B10R0.2 CCCC(C)NC(=O)COC 527a_100000741246_100000210968 [0,2,0,0,0,0|1,0,1]=4 2598 B10R0.2 CCCN(C)CC(=O)OCC 2230a_100000220588_100000210303 [0,2,0,0,0,0|1,0,1]=4 2599 B10R0.2 CCCN(C)CC(=O)OCC 2230a_100000221057_200000210301 [0,2,0,0,0,0|1,0,1]=4 2600 B10R0.2 CCCN(C)CC(=O)OCC 2230a_100000747261_100000188475 [0,2,0,0,0,0|1,0,1]=4 2601 B10R0.2 CCCN(C)CC(=O)OCC 269982a_100000221057_200000210301 [0,2,0,0,0,0|1,0,1]=4 2602 B10R0.2 CCCN(C)CC(=O)OCC 269982a_100000747261_100000188475 [0,2,0,0,0,0|1,0,1]=4 2603 B10R0.2 CCCN([13CH3])CC(=O)OCC 2230a_100000221057_200025704644 [0,2,0,0,0,0|1,0,1]=4 2604 B10R0.2 CCCN([13CH3])CC(=O)OCC 269982a_100000221057_200025704644 [0,2,0,0,0,0|1,0,1]=4 2605 B10R0.2 CCNC(=O)CC(=O)COC 1458a_100000210968_100000183381 [0,2,0,0,0,0|1,0,1]=4 2606 B10R0.2 CCNC(=O)CC(=O)OCC 240690a_100015525214_100000243816 [0,2,0,0,0,0|1,0,1]=4 2607 B10R0.2 CCOC(=O)C=C(C)CNC 2230a_106832991635_100135422193 [0,2,0,0,0,0|1,0,0]=3 2608 B10R0.2 CCOC(=O)C=C(C)CNC 34a_100102657272_100135422193 [0,2,0,0,0,0|1,0,0]=3 2609 B10R0.2 CCOC(=O)C=C(C)CNC 7a_106832991635_100135422193 [0,2,0,0,0,0|1,0,0]=3 2610 B10R0.2 CCOC(=O)C=C(C)COC 34a_100138415774_100135422193 [0,2,0,0,0,0|1,0,0]=3 2611 B10R0.2 CCOC(=O)C=C(C)CSC 62a_100135422193_200000210301 [0,2,0,0,0,0|1,0,0]=3 2612 B10R0.2 CCOC(=O)C=C(C)CSC 62a_200000210301_100135422193 [0,2,0,0,0,0|1,0,0]=3 2613 B10R0.2 CCOC(=O)C=C(C)CS[13CH3] 62a_100135422193_200025704644 [0,2,0,0,0,0|1,0,0]=3 2614 B10R0.2 CCOC(=O)C=C(C)CS[13CH3] 62a_200025704644_100135422193 [0,2,0,0,0,0|1,0,0]=3 2615 B10R0.2 CCOC(=O)CC(=O)CCF 1458a_100000243816_100011217306 [0,2,0,0,0,0|1,0,1]=4 2616 B10R0.2 CCOC(=O)CC(=O)CCO 1458a_100000243816_100000211926 [0,2,0,0,0,0|1,0,1]=4 2617 B10R0.2 CCOC(=O)CC(=O)CCO 1458a_100011216618_100000188475 [0,2,0,0,0,0|1,0,1]=4 2618 B10R0.2 CCOC(=O)CC(=O)COC 1458a_100000210968_100000188475 [0,2,0,0,0,0|1,0,1]=4 2619 B10R0.2 CCOC(=O)CC(=O)CSC 1458a_100000184570_100000188475 [0,2,0,0,0,0|1,0,1]=4 2620 B10R0.2 CCOC(=O)CC(=O)CSC 62a_100000210311_200000210301 [0,2,0,0,0,0|1,0,1]=4 2621 B10R0.2 CCOC(=O)CC(=O)CSC 62a_200000210301_100000210311 [0,2,0,0,0,0|1,0,1]=4 2622 B10R0.2 CCOC(=O)CC(=O)CS[13CH3] 62a_100000210311_200025704644 [0,2,0,0,0,0|1,0,1]=4 2623 B10R0.2 CCOC(=O)CC(=O)CS[13CH3] 62a_200025704644_100000210311 [0,2,0,0,0,0|1,0,1]=4 2624 B10R0.2 CCOC(=O)NC(=O)CNC 7a_106832991635_100000010344 [0,2,0,0,0,0|2,0,0]=4 2625 B10R0.2 CCOC(=O)NC(=O)CSC 62a_200000210301_100000010344 [0,2,0,0,0,0|2,0,0]=4 2626 B10R0.2 CCOC(=O)NC(=O)CS[13CH3] 62a_200025704644_100000010344 [0,2,0,0,0,0|2,0,0]=4 2627 B10R0.6 C=C(C)CC(=O)C=CCCC 1458a_100000212230_100000748629 [0,2,0,0,0,0|1,0,0]=3 2628 B10R0.6 C=C(C)CC(=O)C=CCOC 1458a_100016285016_100000748629 [0,2,0,0,0,0|2,0,0]=4 2629 B10R0.6 C=C(C)CC(=O)C=COCC 1458a_100016266692_100000748629 [0,2,0,0,0,0|2,0,0]=4 2630 B10R0.6 C=C(F)CC(=O)C=CCCC 1458a_100000212230_100009893438 [0,2,0,0,0,0|1,0,1]=4 2631 B10R0.6 CCCC=CC(=O)CC(=O)N 1458a_100000212230_100000187820 [0,2,0,0,0,0|1,0,1]=4 2632 B10R0.6 CCCC=CC(=O)CC(=O)[O-] 1458a_100000212230_100020667443 [0,2,0,0,0,0|1,0,1]=4 2633 B10R0.6 CCCC=CC(=O)CC(C)C 1458a_100000212230_100000210624 [0,2,0,0,0,0|1,0,0]=3 2634 B10R0.6 CCCC=CC(=O)CC(C)O 1458a_100000212230_100011218427 [0,2,0,0,0,0|1,0,0]=3 2635 B10R0.6 CCCC=CC(=O)CC(F)F 1458a_100000212230_100011934356 [0,2,0,0,0,0|1,0,0]=3 2636 B10R0.6 CCCC=CC(=O)C[N+](=O)[O-] 1458a_100000212230_100000761209 [0,2,0,0,0,0|2,0,0]=4 2637 B10R0.6 CCCC=CC(=O)NC(C)C 11a_100138425928_100000212230 [0,2,0,0,0,0|1,0,0]=3 2638 B10R0.6 CCCC=CC(=O)NC(C)C 1626a_100138425928_100000212230 [0,2,0,0,0,0|1,0,0]=3 2639 B10R0.6 CCCC=CC(=O)NC(C)C 240690a_100138425928_100000212230 [0,2,0,0,0,0|1,0,0]=3 2640 B10R0.6 CCCOCC(=O)OC(C)C 34a_100000210258_100011215430 [0,2,0,0,0,0|1,0,1]=4 2641 B10R0.6 CCCSCC(=O)OC(C)C 62a_100000210303_100011215430 [0,2,0,0,0,0|1,0,1]=4 2642 B10R0.6 CCCSCC(=O)OC(C)C 62a_100011215430_100000210303 [0,2,0,0,0,0|1,0,1]=4 2643 B10R0.6 CCOC=CC(=O)CC(C)C 1458a_100016266692_100000210624 [0,2,0,0,0,0|2,0,0]=4 2644 B10R0.6 CCOC=CC(=O)CC(C)O 1458a_100016266692_100011218427 [0,2,0,0,0,0|2,0,0]=4 2645 B10R0.6 CCOC=CC(=O)CC(F)F 1458a_100016266692_100011934356 [0,2,0,0,0,0|2,0,0]=4 2646 B10R0.6 CCOC=CC(=O)NC(C)C 11a_100138425928_100016266692 [0,2,0,0,0,0|2,0,0]=4 2647 B10R0.6 CCOC=CC(=O)NC(C)C 1626a_100138425928_100016266692 [0,2,0,0,0,0|2,0,0]=4 2648 B10R0.6 CCOC=CC(=O)NC(C)C 240690a_100138425928_100016266692 [0,2,0,0,0,0|2,0,0]=4 2649 B10R0.6 COCC=CC(=O)CC(C)C 1458a_100016285016_100000210624 [0,2,0,0,0,0|2,0,0]=4 2650 B10R0.6 COCC=CC(=O)CC(C)O 1458a_100016285016_100011218427 [0,2,0,0,0,0|2,0,0]=4 2651 B10R0.6 COCC=CC(=O)CC(F)F 1458a_100016285016_100011934356 [0,2,0,0,0,0|2,0,0]=4 2652 B10R0.6 COCC=CC(=O)NC(C)C 11a_100138425928_100016285016 [0,2,0,0,0,0|2,0,0]=4 2653 B10R0.6 COCC=CC(=O)NC(C)C 1626a_100138425928_100016285016 [0,2,0,0,0,0|2,0,0]=4 2654 B10R0.6 COCC=CC(=O)NC(C)C 240690a_100138425928_100016285016 [0,2,0,0,0,0|2,0,0]=4 2655 B10R0.19 C#CCC(=O)/C(=C/CCC)/C 1458a_200020648666_100000184674 [0,2,0,0,0,0|1,0,1]=4 2656 B10R0.19 C=C(COCC)C(=O)OCC 34a_100121572206_100000755967 [0,2,0,0,0,0|1,0,1]=4 2657 B10R0.19 C=C(CSCC)C(=O)OCC 62a_100000210202_100000755967 [0,2,0,0,0,0|1,0,1]=4 2658 B10R0.19 C=C(CSCC)C(=O)OCC 62a_100000755967_100000210202 [0,2,0,0,0,0|1,0,1]=4 2659 B10R0.19 C=CCC(=O)/C(=C/CCC)/C 1458a_200020648666_100000210623 [0,2,0,0,0,0|1,0,1]=4 2660 B10R0.19 CCC/C=C(\C)/C(=O)CC#N 1458a_200020648666_100011214920 [0,2,0,0,0,0|1,0,1]=4 2661 B10R0.19 CCC/C=C(\C)/C(=O)CCC 1458a_200020648666_100000210303 [0,2,0,0,0,0|1,0,0]=3 2662 B10R0.19 CCC/C=C(\C)/C(=O)CCF 1458a_200020648666_100011217306 [0,2,0,0,0,0|1,0,0]=3 2663 B10R0.19 CCC/C=C(\C)/C(=O)CCO 1458a_200020648666_100000211926 [0,2,0,0,0,0|1,0,0]=3 2664 B10R0.19 CCC/C=C(\C)/C(=O)NCC 11a_100015525214_200020648666 [0,2,0,0,0,0|1,0,0]=3 2665 B10R0.19 CCC/C=C(\C)/C(=O)NCC 240690a_100015525214_200020648666 [0,2,0,0,0,0|1,0,0]=3 2666 B10R0.19 CCC/C=C(\C)/C(=O)NNC 22a_100016993582_200020648666 [0,2,0,0,0,0|1,0,0]=3 2667 B10R0.19 CCCCC(=O)/C(=N/OC)/C 1458a_100160996864_100000210211 [0,2,0,0,0,0|1,0,1]=4 2668 B10R0.19 CCCCC(=O)C(=O)NCC 1458a_200011297158_100000210211 [0,2,0,0,0,0|1,0,1]=4 2669 B10R0.19 CCCCC(C)C(=O)COC 1458a_100000210968_200011215066 [0,2,0,0,0,0|0,0,2]=4 2670 B10R0.19 CCCCN(C)C(=O)COC 11a_100000207549_100000210968 [0,2,0,0,0,0|1,0,1]=4 2671 B10R0.19 CCCCN(C)C(=O)COC 1626a_100000207549_100000210968 [0,2,0,0,0,0|1,0,1]=4 2672 B10R0.19 CCCCN(C)C(=O)COC 240690a_100000207549_100000210968 [0,2,0,0,0,0|1,0,1]=4 2673 B10R0.19 CCCCN(C)C(=O)COC 34a_100138415774_100000230175 [0,2,0,0,0,0|1,0,1]=4 2674 B10R0.19 CCCCN(C)C(=O)COC 527a_100000207549_100000210968 [0,2,0,0,0,0|1,0,1]=4 2675 B10R0.19 CCCNC(=O)/C(=N/OC)/C 11a_100020643023_100160996864 [0,2,0,0,0,0|2,0,0]=4 2676 B10R0.19 CCCNC(=O)/C(=N/OC)/C 240690a_100020643023_100160996864 [0,2,0,0,0,0|2,0,0]=4 2677 B10R0.19 CCCNC(=O)C(=O)CCC 1458a_200011297150_100000210303 [0,2,0,0,0,0|2,0,0]=4 2678 B10R0.19 CCCNC(=O)C(=O)CCF 1458a_200011297150_100011217306 [0,2,0,0,0,0|2,0,0]=4 2679 B10R0.19 CCCNC(=O)C(=O)CCO 1458a_200011297150_100000211926 [0,2,0,0,0,0|2,0,0]=4 2680 B10R0.19 CCCNC(=O)C(=O)NCC 1626a_100020643023_200011297158 [0,2,0,0,0,0|2,0,0]=4 2681 B10R0.19 CCCNC(=O)C(=O)NCC 240690a_100015525214_200011297150 [0,2,0,0,0,0|2,0,0]=4 2682 B10R0.19 CCCNC(=O)C(=O)NCC 240690a_100020643023_200011297158 [0,2,0,0,0,0|2,0,0]=4 2683 B10R0.19 CCCNC(=O)C(=O)NCC 527a_100015525214_200011297150 [0,2,0,0,0,0|2,0,0]=4 2684 B10R0.19 CCCNC(=O)C(=O)NCC 527a_100020643023_200011297158 [0,2,0,0,0,0|2,0,0]=4 2685 B10R0.19 CCCNC(=O)C(=O)NNC 22a_100016993582_200011297150 [0,2,0,0,0,0|2,0,0]=4 2686 B10R0.19 CCCNC(=O)C(=O)OCC 11a_100020643023_100014798877 [0,2,0,0,0,0|1,0,0]=3 2687 B10R0.19 CCCNC(=O)C(=O)OCC 1626a_100020643023_100014798877 [0,2,0,0,0,0|1,0,0]=3 2688 B10R0.19 CCCNC(=O)C(=O)OCC 240690a_100020643023_100014798877 [0,2,0,0,0,0|1,0,0]=3 2689 B10R0.19 CCCOC(C)C(=O)OCC 34a_100000210258_100011216346 [0,2,0,0,0,0|1,0,1]=4 2690 B10R0.19 CCCOC(F)C(=O)OCC 34a_100000210258_100000760018 [0,2,0,0,0,0|1,0,1]=4 2691 B10R0.19 CCCO[C@@H](C)C(=O)OCC 7a_100000751109_100000210303 [0,2,0,0,0,0|1,0,1]=4 2692 B10R0.19 CCCSC(C)C(=O)OCC 62a_100000210303_100011216346 [0,2,0,0,0,0|1,0,1]=4 2693 B10R0.19 CCCSC(C)C(=O)OCC 62a_100011216346_100000210303 [0,2,0,0,0,0|1,0,1]=4 2694 B10R0.19 CCCSC(F)C(=O)OCC 62a_100000210303_100000760018 [0,2,0,0,0,0|1,0,1]=4 2695 B10R0.19 CCCSC(F)C(=O)OCC 62a_100000760018_100000210303 [0,2,0,0,0,0|1,0,1]=4 2696 B10R0.19 CCNN=C(C)C(=O)OCC 4a_100000756455_100000209952 [0,2,0,0,0,0|2,0,0]=4 2697 B10R0.19 CCOC(=O)C(=O)CSCC 62a_100000210202_100000211299 [0,2,0,0,0,0|1,0,1]=4 2698 B10R0.19 CCOC(=O)C(=O)CSCC 62a_100000211299_100000210202 [0,2,0,0,0,0|1,0,1]=4 2699 B10R0.19 CCOC(=O)C(=O)NCCF 11a_100000724931_100014798877 [0,2,0,0,0,0|2,0,0]=4 2700 B10R0.19 CCOC(=O)C(=O)NCCF 1626a_100000724931_100014798877 [0,2,0,0,0,0|2,0,0]=4 2701 B10R0.19 CCOC(=O)C(=O)NCCF 240690a_100000724931_100014798877 [0,2,0,0,0,0|2,0,0]=4 2702 B10R0.19 CCOC(=O)C(=O)NCCO 240690a_100000210304_100014798877 [0,2,0,0,0,0|2,0,0]=4 2703 B10R0.83 C#CC(C)C(=O)C=CCCC 1458a_100000212230_200000035995 [0,2,0,0,0,0|1,0,0]=3 2704 B10R0.83 C#CC(C)C(=O)C=CCOC 1458a_100016285016_200000035995 [0,2,0,0,0,0|2,0,0]=4 2705 B10R0.83 C#CC(C)C(=O)C=COCC 1458a_100016266692_200000035995 [0,2,0,0,0,0|2,0,0]=4 2706 B10R0.83 C#CCCNC(=O)C(=O)OC 11a_100000755551_100000024059 [0,2,0,0,0,0|1,0,1]=4 2707 B10R0.83 C#CCCNC(=O)C(=O)OC 1626a_100000755551_100000024059 [0,2,0,0,0,0|1,0,1]=4 2708 B10R0.83 C#CCCNC(=O)C(=O)OC 240690a_100000755551_100000024059 [0,2,0,0,0,0|1,0,1]=4 2709 B10R0.83 C#CCCNC(=O)C(=O)OC 527a_100000755551_100000024059 [0,2,0,0,0,0|1,0,1]=4 2710 B10R0.83 C=C(CNCCF)C(=O)OC 34a_100000724931_100009813391 [0,2,0,0,0,0|1,0,1]=4 2711 B10R0.83 C=C(CNCCO)C(=O)OC 34a_100016990907_100009813391 [0,2,0,0,0,0|1,0,1]=4 2712 B10R0.83 C=C(COCCBr)C(=O)OC 34a_100000211926_100009813391 [0,2,0,0,0,0|1,0,1]=4 2713 B10R0.83 C=C(COCCC)C(=O)OC 34a_100000210258_100009813391 [0,2,0,0,0,0|0,0,1]=3 2714 B10R0.83 C=C(COCCN)C(=O)OC 34a_100000210304_100009813391 [0,2,0,0,0,0|1,0,1]=4 2715 B10R0.83 C=C(CSCCC)C(=O)OC 62a_100000210303_100009813391 [0,2,0,0,0,0|0,0,1]=3 2716 B10R0.83 C=C(CSCCC)C(=O)OC 62a_100009813391_100000210303 [0,2,0,0,0,0|0,0,1]=3 2717 B10R0.83 C=C(CSCCF)C(=O)OC 62a_100009813391_100011217306 [0,2,0,0,0,0|1,0,1]=4 2718 B10R0.83 C=C(CSCCF)C(=O)OC 62a_100011217306_100009813391 [0,2,0,0,0,0|1,0,1]=4 2719 B10R0.83 C=C(CSCCO)C(=O)OC 62a_100000211926_100009813391 [0,2,0,0,0,0|1,0,1]=4 2720 B10R0.83 C=C(CSCCO)C(=O)OC 62a_100009813391_100000211926 [0,2,0,0,0,0|1,0,1]=4 2721 B10R0.83 C=C(CSCOC)C(=O)OC 62a_100000766300_100009813391 [0,2,0,0,0,0|1,0,1]=4 2722 B10R0.83 C=C(CSCOC)C(=O)OC 62a_100009813391_100000766300 [0,2,0,0,0,0|1,0,1]=4 2723 B10R0.83 C=C(CSCSC)C(=O)OC 62a_100009813391_100011218213 [0,2,0,0,0,0|1,0,1]=4 2724 B10R0.83 C=C(CSCSC)C(=O)OC 62a_100011218213_100009813391 [0,2,0,0,0,0|1,0,1]=4 2725 B10R0.83 C=CCCNC(=O)C(=O)OC 11a_100015191253_100000024059 [0,2,0,0,0,0|1,0,1]=4 2726 B10R0.83 C=CCCNC(=O)C(=O)OC 1626a_100015191253_100000024059 [0,2,0,0,0,0|1,0,1]=4 2727 B10R0.83 C=CCCNC(=O)C(=O)OC 240690a_100015191253_100000024059 [0,2,0,0,0,0|1,0,1]=4 2728 B10R0.83 C=CCCNC(=O)C(=O)OC 527a_100015191253_100000024059 [0,2,0,0,0,0|1,0,1]=4 2729 B10R0.83 CC#CCNC(=O)C(=O)OC 11a_100000685387_100000024059 [0,2,0,0,0,0|1,0,1]=4 2730 B10R0.83 CC#CCNC(=O)C(=O)OC 1626a_100000685387_100000024059 [0,2,0,0,0,0|1,0,1]=4 2731 B10R0.83 CC#CCNC(=O)C(=O)OC 527a_100000685387_100000024059 [0,2,0,0,0,0|1,0,1]=4 2732 B10R0.83 CC/C=C\CC(=O)C(=O)NC 1458a_100011218921_100103147603 [0,2,0,0,0,0|1,0,1]=4 2733 B10R0.83 CC/C=C\CC(=O)C(C)OC 1458a_100000743197_100103147603 [0,2,0,0,0,0|0,0,2]=4 2734 B10R0.83 CCC(C)C(=O)C=CCOC 1458a_100016285016_100000758301 [0,2,0,0,0,0|2,0,0]=4 2735 B10R0.83 CCCC=CC(=O)C(C)C#N 1458a_100000212230_100000703298 [0,2,0,0,0,0|1,0,0]=3 2736 B10R0.83 CCCC=CC(=O)C(C)CC 1458a_100000212230_100000758301 [0,2,0,0,0,0|1,0,0]=3 2737 B10R0.83 CCCC=CC(=O)N(C)CC 11a_100000225621_100000212230 [0,2,0,0,0,0|1,0,0]=3 2738 B10R0.83 CCCC=CC(=O)N(C)CC 1626a_100000225621_100000212230 [0,2,0,0,0,0|1,0,0]=3 2739 B10R0.83 CCCC=CC(=O)N(C)CC 240690a_100000225621_100000212230 [0,2,0,0,0,0|1,0,0]=3 2740 B10R0.83 CCCCCC(=O)C(=O)NC 1458a_100011218921_100000210326 [0,2,0,0,0,0|1,0,1]=4 2741 B10R0.83 CCCCCC(=O)C(C)OC 1458a_100000743197_100000210326 [0,2,0,0,0,0|0,0,2]=4 2742 B10R0.83 CCCCNC(=O)C(=O)NC 1626a_100000102301_100011218921 [0,2,0,0,0,0|1,0,1]=4 2743 B10R0.83 CCCCNC(=O)C(=O)NC 240690a_100000102301_100011218921 [0,2,0,0,0,0|1,0,1]=4 2744 B10R0.83 CCCCNC(=O)C(=O)NC 527a_100000102301_100011218921 [0,2,0,0,0,0|1,0,1]=4 2745 B10R0.83 CCCCNC(=O)C(=O)OC 11a_100000102301_100000024059 [0,2,0,0,0,0|0,0,1]=3 2746 B10R0.83 CCCCNC(=O)C(=O)OC 1626a_100000102301_100000024059 [0,2,0,0,0,0|0,0,1]=3 2747 B10R0.83 CCCCNC(=O)C(=O)OC 240690a_100000102301_100000024059 [0,2,0,0,0,0|0,0,1]=3 2748 B10R0.83 CCCCNC(=O)C(=O)OC 527a_100000102301_100000024059 [0,2,0,0,0,0|0,0,1]=3 2749 B10R0.83 CCCCNC(=O)C(C)OC 11a_100000102301_100000743197 [0,2,0,0,0,0|1,0,1]=4 2750 B10R0.83 CCCCNC(=O)C(C)OC 1626a_100000102301_100000743197 [0,2,0,0,0,0|1,0,1]=4 2751 B10R0.83 CCCCNC(=O)C(C)OC 240690a_100000102301_100000743197 [0,2,0,0,0,0|1,0,1]=4 2752 B10R0.83 CCCCNC(=O)C(C)OC 34a_100138415774_100000735917 [0,2,0,0,0,0|1,0,1]=4 2753 B10R0.83 CCCCNC(=O)C(C)OC 527a_100000102301_100000743197 [0,2,0,0,0,0|1,0,1]=4 2754 B10R0.83 CCCCNC(C)C(=O)OC 2230a_100000102301_100000211248 [0,2,0,0,0,0|0,0,2]=4 2755 B10R0.83 CCCCNC(C)C(=O)OC 7a_106832991798_100000211248 [0,2,0,0,0,0|0,0,2]=4 2756 B10R0.83 CCCCOC(=O)C(C)OC 34a_100000038973_200000210301 [0,2,0,0,0,0|1,0,1]=4 2757 B10R0.83 CCCCOC(=O)C(C)OC 34a_100138415774_100000759602 [0,2,0,0,0,0|1,0,1]=4 2758 B10R0.83 CCCCOC(=O)C(C)OC 7a_100000038973_200000210301 [0,2,0,0,0,0|1,0,1]=4 2759 B10R0.83 CCCCOC(=O)C(C)O[13CH3] 34a_100000038973_200025704644 [0,2,0,0,0,0|1,0,1]=4 2760 B10R0.83 CCCCOC(=O)C(C)O[13CH3] 7a_100000038973_200025704644 [0,2,0,0,0,0|1,0,1]=4 2761 B10R0.83 CCCCOC(C)C(=O)OC 34a_100000210227_100000211248 [0,2,0,0,0,0|0,0,2]=4 2762 B10R0.83 CCCCOC(C)C(=O)OC 34a_100011215400_100000210210 [0,2,0,0,0,0|0,0,2]=4 2763 B10R0.83 CCCCOC(C)C(=O)OC 7a_100000210227_100000211248 [0,2,0,0,0,0|0,0,2]=4 2764 B10R0.83 CCCCSC(C)C(=O)OC 62a_100000210211_100000211248 [0,2,0,0,0,0|0,0,2]=4 2765 B10R0.83 CCCCSC(C)C(=O)OC 62a_100000211248_100000210210 [0,2,0,0,0,0|0,0,2]=4 2766 B10R0.83 CCCNCC(=O)N(C)OC 2230a_100015207273_100000210303 [0,2,0,0,0,0|1,0,1]=4 2767 B10R0.83 CCCNN=C(C)C(=O)OC 4a_100000740057_100000211753 [0,2,0,0,0,0|1,0,0]=3 2768 B10R0.83 CCCNNC(=O)C(=O)NC 22a_100000740057_100011218921 [0,2,0,0,0,0|2,0,0]=4 2769 B10R0.83 CCCNNC(=O)C(C)OC 22a_100000740057_100000743197 [0,2,0,0,0,0|2,0,0]=4 2770 B10R0.83 CCCOCC(=O)C(=O)OC 34a_100000210258_100011610305 [0,2,0,0,0,0|0,0,1]=3 2771 B10R0.83 CCCOCC(C)C(=O)OC 34a_100000210258_100000698445 [0,2,0,0,0,0|0,0,2]=4 2772 B10R0.83 CCCOCC(C)C(=O)OC 34a_100000749362_100000210303 [0,2,0,0,0,0|0,0,2]=4 2773 B10R0.83 CCCOCC(C)C(=O)OC 7a_100000749362_100000210303 [0,2,0,0,0,0|0,0,2]=4 2774 B10R0.83 CCCOCC(F)C(=O)OC 34a_200009849844_100000210303 [0,2,0,0,0,0|0,0,2]=4 2775 B10R0.83 CCCOC[C@@H](N)C(=O)OC 34a_100000003586_100000210303 [0,2,0,0,0,0|0,0,2]=4 2776 B10R0.83 CCCSCC(=O)C(=O)OC 62a_100000210303_100011610305 [0,2,0,0,0,0|0,0,1]=3 2777 B10R0.83 CCCSCC(=O)C(=O)OC 62a_100011610305_100000210303 [0,2,0,0,0,0|0,0,1]=3 2778 B10R0.83 CCCSCC(=O)N(C)OC 62a_100000210303_100000764215 [0,2,0,0,0,0|1,0,1]=4 2779 B10R0.83 CCCSCC(=O)N(C)OC 62a_100000764215_100000210303 [0,2,0,0,0,0|1,0,1]=4 2780 B10R0.83 CCCSCC(C)C(=O)OC 62a_100000210303_100000698445 [0,2,0,0,0,0|0,0,2]=4 2781 B10R0.83 CCCSCC(C)C(=O)OC 62a_100000698445_100000210303 [0,2,0,0,0,0|0,0,2]=4 2782 B10R0.83 CCN(C)C(=O)C=CCOC 11a_100000225621_100016285016 [0,2,0,0,0,0|2,0,0]=4 2783 B10R0.83 CCN(C)C(=O)C=CCOC 1626a_100000225621_100016285016 [0,2,0,0,0,0|2,0,0]=4 2784 B10R0.83 CCN(C)C(=O)C=CCOC 240690a_100000225621_100016285016 [0,2,0,0,0,0|2,0,0]=4 2785 B10R0.83 CCNCCC(C)C(=O)OC 2230a_100015525214_100000034942 [0,2,0,0,0,0|0,0,2]=4 2786 B10R0.83 CCOC=CC(=O)C(C)C#N 1458a_100016266692_100000703298 [0,2,0,0,0,0|2,0,0]=4 2787 B10R0.83 CCOC=CC(=O)C(C)CC 1458a_100016266692_100000758301 [0,2,0,0,0,0|2,0,0]=4 2788 B10R0.83 CCOC=CC(=O)N(C)CC 11a_100000225621_100016266692 [0,2,0,0,0,0|2,0,0]=4 2789 B10R0.83 CCOC=CC(=O)N(C)CC 1626a_100000225621_100016266692 [0,2,0,0,0,0|2,0,0]=4 2790 B10R0.83 CCOC=CC(=O)N(C)CC 240690a_100000225621_100016266692 [0,2,0,0,0,0|2,0,0]=4 2791 B10R0.83 CCOCCC(=O)C(=O)NC 1458a_100011218921_100011215890 [0,2,0,0,0,0|1,0,1]=4 2792 B10R0.83 CCOCCC(C)C(=O)OC 34a_100121572206_100000034942 [0,2,0,0,0,0|0,0,2]=4 2793 B10R0.83 CCOCSC(C)C(=O)OC 62a_100000211248_100000739092 [0,2,0,0,0,0|1,0,1]=4 2794 B10R0.83 CCOCSC(C)C(=O)OC 62a_100000739092_100000211248 [0,2,0,0,0,0|1,0,1]=4 2795 B10R0.83 CCSCCC(=O)C(=O)NC 1458a_100011218921_100000757381 [0,2,0,0,0,0|1,0,1]=4 2796 B10R0.83 CCSCCC(C)C(=O)OC 62a_100000034942_100000210202 [0,2,0,0,0,0|0,0,2]=4 2797 B10R0.83 CCSCCC(C)C(=O)OC 62a_100000210202_100000034942 [0,2,0,0,0,0|0,0,2]=4 2798 B10R0.83 CNC(=O)C(=O)CCCCF 1458a_100011218921_100000729493 [0,2,0,0,0,0|1,0,1]=4 2799 B10R0.83 CNC(=O)C(=O)CCCCO 1458a_100011218921_100000210776 [0,2,0,0,0,0|1,0,1]=4 2800 B10R0.83 CNC(=O)C(=O)CCCOC 1458a_100011218921_100000740836 [0,2,0,0,0,0|1,0,1]=4 2801 B10R0.83 CNC(=O)C(=O)NCCCF 1626a_100015189416_100011218921 [0,2,0,0,0,0|2,0,0]=4 2802 B10R0.83 CNC(=O)C(=O)NCCCF 240690a_100015189416_100011218921 [0,2,0,0,0,0|2,0,0]=4 2803 B10R0.83 CNC(=O)C(=O)NCCCF 527a_100015189416_100011218921 [0,2,0,0,0,0|2,0,0]=4 2804 B10R0.83 CNC(=O)C(=O)NCCCO 240690a_100000182051_100011218921 [0,2,0,0,0,0|2,0,0]=4 2805 B10R0.83 CNC(=O)C(=O)NCCCO 527a_100000182051_100011218921 [0,2,0,0,0,0|2,0,0]=4 2806 B10R0.83 CNC(=O)C(=O)NCCOC 1626a_100000209980_100011218921 [0,2,0,0,0,0|2,0,0]=4 2807 B10R0.83 CNC(=O)C(=O)NCCOC 240690a_100000209980_100011218921 [0,2,0,0,0,0|2,0,0]=4 2808 B10R0.83 CNC(=O)C(=O)NCCOC 527a_100000209980_100011218921 [0,2,0,0,0,0|2,0,0]=4 2809 B10R0.83 CNC(=O)C(=O)NCCSC 1626a_100020590264_100011218921 [0,2,0,0,0,0|2,0,0]=4 2810 B10R0.83 CNC(=O)C(=O)NCCSC 240690a_100020590264_100011218921 [0,2,0,0,0,0|2,0,0]=4 2811 B10R0.83 CNC(=O)C(=O)NCCSC 527a_100020590264_100011218921 [0,2,0,0,0,0|2,0,0]=4 2812 B10R0.83 COC(=O)C(=NNCCO)C 4a_100000210001_100000211753 [0,2,0,0,0,0|2,0,0]=4 2813 B10R0.83 COC(=O)C(=O)CNCCF 34a_100000724931_100011610305 [0,2,0,0,0,0|1,0,1]=4 2814 B10R0.83 COC(=O)C(=O)CNCCO 34a_100016990907_100011610305 [0,2,0,0,0,0|1,0,1]=4 2815 B10R0.83 COC(=O)C(=O)COCCBr 34a_100000211926_100011610305 [0,2,0,0,0,0|1,0,1]=4 2816 B10R0.83 COC(=O)C(=O)COCCN 34a_100000210304_100011610305 [0,2,0,0,0,0|1,0,1]=4 2817 B10R0.83 COC(=O)C(=O)CSCCF 62a_100011217306_100011610305 [0,2,0,0,0,0|1,0,1]=4 2818 B10R0.83 COC(=O)C(=O)CSCCF 62a_100011610305_100011217306 [0,2,0,0,0,0|1,0,1]=4 2819 B10R0.83 COC(=O)C(=O)CSCCO 62a_100000211926_100011610305 [0,2,0,0,0,0|1,0,1]=4 2820 B10R0.83 COC(=O)C(=O)CSCCO 62a_100011610305_100000211926 [0,2,0,0,0,0|1,0,1]=4 2821 B10R0.83 COC(=O)C(=O)CSCSC 62a_100011218213_100011610305 [0,2,0,0,0,0|1,0,1]=4 2822 B10R0.83 COC(=O)C(=O)CSCSC 62a_100011610305_100011218213 [0,2,0,0,0,0|1,0,1]=4 2823 B10R0.83 COC(=O)C(=O)NCCC#N 11a_100000720768_100000024059 [0,2,0,0,0,0|1,0,1]=4 2824 B10R0.83 COC(=O)C(=O)NCCC#N 1626a_100000720768_100000024059 [0,2,0,0,0,0|1,0,1]=4 2825 B10R0.83 COC(=O)C(=O)NCCC#N 240690a_100000720768_100000024059 [0,2,0,0,0,0|1,0,1]=4 2826 B10R0.83 COC(=O)C(=O)NCCC#N 527a_100000720768_100000024059 [0,2,0,0,0,0|1,0,1]=4 2827 B10R0.83 COC(=O)C(=O)NCCCF 11a_100015189416_100000024059 [0,2,0,0,0,0|1,0,0]=3 2828 B10R0.83 COC(=O)C(=O)NCCCF 1626a_100015189416_100000024059 [0,2,0,0,0,0|1,0,0]=3 2829 B10R0.83 COC(=O)C(=O)NCCCF 240690a_100015189416_100000024059 [0,2,0,0,0,0|1,0,0]=3 2830 B10R0.83 COC(=O)C(=O)NCCCF 527a_100015189416_100000024059 [0,2,0,0,0,0|1,0,0]=3 2831 B10R0.83 COC(=O)C(=O)NCCCO 240690a_100000182051_100000024059 [0,2,0,0,0,0|1,0,0]=3 2832 B10R0.83 COC(=O)C(=O)NCCCO 527a_100000182051_100000024059 [0,2,0,0,0,0|1,0,0]=3 2833 B10R0.83 COC(=O)C(=O)NCCSC 11a_100020590264_100000024059 [0,2,0,0,0,0|1,0,0]=3 2834 B10R0.83 COC(=O)C(=O)NCCSC 1626a_100020590264_100000024059 [0,2,0,0,0,0|1,0,0]=3 2835 B10R0.83 COC(=O)C(=O)NCCSC 240690a_100020590264_100000024059 [0,2,0,0,0,0|1,0,0]=3 2836 B10R0.83 COC(=O)C(=O)NCCSC 527a_100020590264_100000024059 [0,2,0,0,0,0|1,0,0]=3 2837 B10R0.83 COC(=O)C(C)NCCCF 2230a_100015189416_100000211248 [0,2,0,0,0,0|1,0,1]=4 2838 B10R0.83 COC(=O)C(C)NCCCF 34a_100015189416_100000211248 [0,2,0,0,0,0|1,0,1]=4 2839 B10R0.83 COC(=O)C(C)NCCSC 2230a_100020590264_100000211248 [0,2,0,0,0,0|1,0,1]=4 2840 B10R0.83 COC(=O)C(C)OCCCBr 34a_100011217188_100000211248 [0,2,0,0,0,0|1,0,1]=4 2841 B10R0.83 COC(=O)C(C)OCCCCl 34a_100000230001_100000211248 [0,2,0,0,0,0|1,0,1]=4 2842 B10R0.83 COC(=O)C(C)OCCCF 34a_100000759539_100000211248 [0,2,0,0,0,0|1,0,1]=4 2843 B10R0.83 COC(=O)C(C)OCCCF 34a_100011215400_100011934791 [0,2,0,0,0,0|1,0,1]=4 2844 B10R0.83 COC(=O)C(C)OCCCN 34a_100000182051_100000211248 [0,2,0,0,0,0|1,0,1]=4 2845 B10R0.83 COC(=O)C(C)OCCCO 34a_100011215400_100000230001 [0,2,0,0,0,0|1,0,1]=4 2846 B10R0.83 COC(=O)C(C)OCCSC 34a_100000230434_100000211248 [0,2,0,0,0,0|1,0,1]=4 2847 B10R0.83 COC(=O)C(C)OCCSC 34a_100011215400_100000212216 [0,2,0,0,0,0|1,0,1]=4 2848 B10R0.83 COC(=O)C(C)OCCSC 7a_100000230434_100000211248 [0,2,0,0,0,0|1,0,1]=4 2849 B10R0.83 COC(=O)C(C)SCCCF 62a_100000211248_100011934791 [0,2,0,0,0,0|1,0,1]=4 2850 B10R0.83 COC(=O)C(C)SCCCF 62a_100011934791_100000211248 [0,2,0,0,0,0|1,0,1]=4 2851 B10R0.83 COC(=O)C(C)SCCCO 62a_100000211248_100011215043 [0,2,0,0,0,0|1,0,1]=4 2852 B10R0.83 COC(=O)C(C)SCCCO 62a_100011215043_100000211248 [0,2,0,0,0,0|1,0,1]=4 2853 B10R0.83 COC(=O)C(C)SCCSC 62a_100000211248_100000751147 [0,2,0,0,0,0|1,0,1]=4 2854 B10R0.83 COC(=O)C(C)SCCSC 62a_100000212216_100000211248 [0,2,0,0,0,0|1,0,1]=4 2855 B10R0.83 COCC=CC(=O)C(C)C#N 1458a_100016285016_100000703298 [0,2,0,0,0,0|2,0,0]=4 2856 B10R0.83 COCCNC(=O)C(=O)OC 1626a_100000209980_100000024059 [0,2,0,0,0,0|1,0,0]=3 2857 B10R0.83 COCCNC(=O)C(=O)OC 240690a_100000209980_100000024059 [0,2,0,0,0,0|1,0,0]=3 2858 B10R0.83 COCCNC(=O)C(=O)OC 527a_100000209980_100000024059 [0,2,0,0,0,0|1,0,0]=3 2859 B10R0.83 COCCNC(C)C(=O)OC 2230a_100000209980_100000211248 [0,2,0,0,0,0|1,0,1]=4 2860 B10R0.83 COCCOC(C)C(=O)OC 34a_100000210237_100000211248 [0,2,0,0,0,0|1,0,1]=4 2861 B10R0.83 COCCOC(C)C(=O)OC 34a_100011215400_100011201679 [0,2,0,0,0,0|1,0,1]=4 2862 B10R0.83 COCCSC(C)C(=O)OC 62a_100000211248_100000233755 [0,2,0,0,0,0|1,0,1]=4 2863 B10R0.83 COCCSC(C)C(=O)OC 62a_100000233755_100000211248 [0,2,0,0,0,0|1,0,1]=4 2864 B10R0.83 COCSCC(=O)C(=O)OC 62a_100000766300_100011610305 [0,2,0,0,0,0|1,0,1]=4 2865 B10R0.83 COCSCC(=O)C(=O)OC 62a_100011610305_100000766300 [0,2,0,0,0,0|1,0,1]=4 2866 B10R0.91 C#CCCC(=O)C=CCCC 1458a_100000212230_100000753159 [0,2,0,0,0,0|1,0,0]=3 2867 B10R0.91 C#CCCC(=O)C=CCOC 1458a_100016285016_100000753159 [0,2,0,0,0,0|2,0,0]=4 2868 B10R0.91 C#CCCC(=O)C=COCC 1458a_100016266692_100000753159 [0,2,0,0,0,0|2,0,0]=4 2869 B10R0.91 C#CCNC(=O)C=CCCC 11a_100000212058_100000212230 [0,2,0,0,0,0|1,0,0]=3 2870 B10R0.91 C#CCNC(=O)C=CCCC 1626a_100000212058_100000212230 [0,2,0,0,0,0|1,0,0]=3 2871 B10R0.91 C#CCNC(=O)C=CCCC 240690a_100000212058_100000212230 [0,2,0,0,0,0|1,0,0]=3 2872 B10R0.91 C#CCNC(=O)C=CCOC 11a_100000212058_100016285016 [0,2,0,0,0,0|2,0,0]=4 2873 B10R0.91 C#CCNC(=O)C=CCOC 1626a_100000212058_100016285016 [0,2,0,0,0,0|2,0,0]=4 2874 B10R0.91 C#CCNC(=O)C=CCOC 240690a_100000212058_100016285016 [0,2,0,0,0,0|2,0,0]=4 2875 B10R0.91 C#CCNC(=O)C=COCC 11a_100000212058_100016266692 [0,2,0,0,0,0|2,0,0]=4 2876 B10R0.91 C#CCNC(=O)C=COCC 1626a_100000212058_100016266692 [0,2,0,0,0,0|2,0,0]=4 2877 B10R0.91 C#CCNC(=O)C=COCC 240690a_100000212058_100016266692 [0,2,0,0,0,0|2,0,0]=4 2878 B10R0.91 C/C=C/C=CC(=O)CCOC 1458a_100000185730_100000233755 [0,2,0,0,0,0|0,0,2]=4 2879 B10R0.91 C/C=C/CC(=O)C=CCCC 1458a_100000212230_100102629194 [0,2,0,0,0,0|1,0,0]=3 2880 B10R0.91 C/C=C/CC(=O)C=CCOC 1458a_100016285016_100102629194 [0,2,0,0,0,0|2,0,0]=4 2881 B10R0.91 C/C=C/CC(=O)C=COCC 1458a_100016266692_100102629194 [0,2,0,0,0,0|2,0,0]=4 2882 B10R0.91 C=CCCC(=O)C=CCCC 1458a_100000212230_100000754431 [0,2,0,0,0,0|1,0,0]=3 2883 B10R0.91 C=CCCC(=O)C=CCOC 1458a_100016285016_100000754431 [0,2,0,0,0,0|2,0,0]=4 2884 B10R0.91 C=CCCC(=O)C=COCC 1458a_100016266692_100000754431 [0,2,0,0,0,0|2,0,0]=4 2885 B10R0.91 C=CCNC(=O)C=CCCC 1626a_100020586998_100000212230 [0,2,0,0,0,0|1,0,0]=3 2886 B10R0.91 C=CCNC(=O)C=CCCC 240690a_100020586998_100000212230 [0,2,0,0,0,0|1,0,0]=3 2887 B10R0.91 C=CCNC(=O)C=CCOC 1626a_100020586998_100016285016 [0,2,0,0,0,0|2,0,0]=4 2888 B10R0.91 C=CCNC(=O)C=CCOC 240690a_100020586998_100016285016 [0,2,0,0,0,0|2,0,0]=4 2889 B10R0.91 C=CCNC(=O)C=COCC 1626a_100020586998_100016266692 [0,2,0,0,0,0|2,0,0]=4 2890 B10R0.91 C=CCNC(=O)C=COCC 240690a_100020586998_100016266692 [0,2,0,0,0,0|2,0,0]=4 2891 B10R0.91 C=CCOC(=O)COCCC 34a_100000210258_100000033060 [0,2,0,0,0,0|1,0,1]=4 2892 B10R0.91 C=CCOC(=O)CSCCC 62a_100000033060_100000210303 [0,2,0,0,0,0|1,0,1]=4 2893 B10R0.91 C=CCOC(=O)CSCCC 62a_100000210303_100000033060 [0,2,0,0,0,0|1,0,1]=4 2894 B10R0.91 CC#CCC(=O)C=CCCC 1458a_100000212230_100000748600 [0,2,0,0,0,0|1,0,0]=3 2895 B10R0.91 CC#CCC(=O)C=CCOC 1458a_100016285016_100000748600 [0,2,0,0,0,0|2,0,0]=4 2896 B10R0.91 CC#CCC(=O)C=COCC 1458a_100016266692_100000748600 [0,2,0,0,0,0|2,0,0]=4 2897 B10R0.91 CC/C=C/CC(=O)CCOC 1458a_100016274230_100000233755 [0,2,0,0,0,0|0,0,2]=4 2898 B10R0.91 CC/C=C\CC(=O)C=COC 1458a_100016268678_100103147603 [0,2,0,0,0,0|0,0,2]=4 2899 B10R0.91 CC/C=C\CC(=O)CCOC 1458a_100000749529_100103147603 [0,2,0,0,0,0|0,0,2]=4 2900 B10R0.91 CC/C=C\CC(=O)COCC 1458a_100000211967_100103147603 [0,2,0,0,0,0|0,0,2]=4 2901 B10R0.91 CC=CCC(=O)C=CCCC 1458a_100000212230_100000070051 [0,2,0,0,0,0|1,0,0]=3 2902 B10R0.91 CC=CCC(=O)C=CCOC 1458a_100016285016_100000070051 [0,2,0,0,0,0|2,0,0]=4 2903 B10R0.91 CC=CCC(=O)C=COCC 1458a_100016266692_100000070051 [0,2,0,0,0,0|2,0,0]=4 2904 B10R0.91 CCCC#CC(=O)CCOC 1458a_200011218047_100000233755 [0,2,0,0,0,0|0,0,2]=4 2905 B10R0.91 CCCC=CC(=NNCC)C 4a_100000756455_100016262776 [0,2,0,0,0,0|2,0,0]=4 2906 B10R0.91 CCCC=CC(=O)CCC#N 1458a_100000212230_100011215226 [0,2,0,0,0,0|1,0,0]=3 2907 B10R0.91 CCCC=CC(=O)CCCC 1458a_100000212230_100000210211 [0,2,0,0,0,0|1,0,0]=3 2908 B10R0.91 CCCC=CC(=O)CCCF 1458a_100000212230_100011934791 [0,2,0,0,0,0|1,0,0]=3 2909 B10R0.91 CCCC=CC(=O)CCCO 1458a_100000212230_100011215043 [0,2,0,0,0,0|1,0,0]=3 2910 B10R0.91 CCCC=CC(=O)CCOC 1458a_100000212230_100000233755 [0,2,0,0,0,0|0,0,0]=2 2911 B10R0.91 CCCC=CC(=O)CCSC 1458a_100000212230_100000751147 [0,2,0,0,0,0|0,1,0]=3 2912 B10R0.91 CCCC=CC(=O)NCC#N 1626a_100000734998_100000212230 [0,2,0,0,0,0|1,0,0]=3 2913 B10R0.91 CCCC=CC(=O)NCCC 11a_100020643023_100000212230 [0,2,0,0,0,0|1,0,0]=3 2914 B10R0.91 CCCC=CC(=O)NCCC 1626a_100020643023_100000212230 [0,2,0,0,0,0|1,0,0]=3 2915 B10R0.91 CCCC=CC(=O)NCCC 240690a_100020643023_100000212230 [0,2,0,0,0,0|1,0,0]=3 2916 B10R0.91 CCCC=CC(=O)NCCF 11a_100000724931_100000212230 [0,2,0,0,0,0|1,0,0]=3 2917 B10R0.91 CCCC=CC(=O)NCCF 1626a_100000724931_100000212230 [0,2,0,0,0,0|1,0,0]=3 2918 B10R0.91 CCCC=CC(=O)NCCF 240690a_100000724931_100000212230 [0,2,0,0,0,0|1,0,0]=3 2919 B10R0.91 CCCC=CC(=O)NCCO 240690a_100000210304_100000212230 [0,2,0,0,0,0|1,0,0]=3 2920 B10R0.91 CCCC=CC(=O)NNCC 22a_100000756455_100000212230 [0,2,0,0,0,0|1,0,0]=3 2921 B10R0.91 CCCCC(=O)C=CCOC 1458a_100016285016_100000210211 [0,2,0,0,0,0|2,0,0]=4 2922 B10R0.91 CCCCC(=O)C=COCC 1458a_100016266692_100000210211 [0,2,0,0,0,0|2,0,0]=4 2923 B10R0.91 CCCCCC(=O)C=COC 1458a_100016268678_100000210326 [0,2,0,0,0,0|0,0,2]=4 2924 B10R0.91 CCCCCC(=O)CCOC 1458a_100000212188_100000233755 [0,2,0,0,0,0|0,0,2]=4 2925 B10R0.91 CCCCCC(=O)CCOC 1458a_100000749529_100000210326 [0,2,0,0,0,0|0,0,2]=4 2926 B10R0.91 CCCCCC(=O)COCC 1458a_100000211967_100000210326 [0,2,0,0,0,0|0,0,2]=4 2927 B10R0.91 CCCCCC(=O)COCC 34a_100121572206_200012276598 [0,2,0,0,0,0|0,0,2]=4 2928 B10R0.91 CCCCNC(=O)C=COC 1626a_100000102301_100016268678 [0,2,0,0,0,0|1,0,1]=4 2929 B10R0.91 CCCCNC(=O)C=COC 240690a_100000102301_100016268678 [0,2,0,0,0,0|1,0,1]=4 2930 B10R0.91 CCCCNC(=O)CCOC 11a_100000102301_100000749529 [0,2,0,0,0,0|1,0,1]=4 2931 B10R0.91 CCCCNC(=O)CCOC 1626a_100000102301_100000749529 [0,2,0,0,0,0|1,0,1]=4 2932 B10R0.91 CCCCNC(=O)CCOC 240690a_100000102301_100000749529 [0,2,0,0,0,0|1,0,1]=4 2933 B10R0.91 CCCCNC(=O)CCOC 527a_100000102301_100000749529 [0,2,0,0,0,0|1,0,1]=4 2934 B10R0.91 CCCCNC(=O)COCC 11a_100000102301_100000211967 [0,2,0,0,0,0|1,0,1]=4 2935 B10R0.91 CCCCNC(=O)COCC 1626a_100000102301_100000211967 [0,2,0,0,0,0|1,0,1]=4 2936 B10R0.91 CCCCNC(=O)COCC 240690a_100000102301_100000211967 [0,2,0,0,0,0|1,0,1]=4 2937 B10R0.91 CCCCNC(=O)COCC 34a_100121572206_100000182744 [0,2,0,0,0,0|1,0,1]=4 2938 B10R0.91 CCCCNC(=O)COCC 527a_100000102301_100000211967 [0,2,0,0,0,0|1,0,1]=4 2939 B10R0.91 CCCCOC(=O)COCC 34a_100121572206_100000211628 [0,2,0,0,0,0|1,0,1]=4 2940 B10R0.91 CCCNC(=O)C=CCOC 11a_100020643023_100016285016 [0,2,0,0,0,0|2,0,0]=4 2941 B10R0.91 CCCNC(=O)C=CCOC 1626a_100020643023_100016285016 [0,2,0,0,0,0|2,0,0]=4 2942 B10R0.91 CCCNC(=O)C=CCOC 240690a_100020643023_100016285016 [0,2,0,0,0,0|2,0,0]=4 2943 B10R0.91 CCCNC(=O)C=COCC 11a_100020643023_100016266692 [0,2,0,0,0,0|2,0,0]=4 2944 B10R0.91 CCCNC(=O)C=COCC 1626a_100020643023_100016266692 [0,2,0,0,0,0|2,0,0]=4 2945 B10R0.91 CCCNC(=O)C=COCC 240690a_100020643023_100016266692 [0,2,0,0,0,0|2,0,0]=4 2946 B10R0.91 CCCNNC(=O)C=COC 22a_100000740057_100016268678 [0,2,0,0,0,0|2,0,0]=4 2947 B10R0.91 CCCNNC(=O)CCOC 22a_100000740057_100000749529 [0,2,0,0,0,0|2,0,0]=4 2948 B10R0.91 CCCNNC(=O)COCC 22a_100000740057_100000211967 [0,2,0,0,0,0|2,0,0]=4 2949 B10R0.91 CCCOC(=O)CSCCC 62a_100000210303_200011215008 [0,2,0,0,0,0|1,0,1]=4 2950 B10R0.91 CCCOC(=O)CSCCC 62a_200011215008_100000210303 [0,2,0,0,0,0|1,0,1]=4 2951 B10R0.91 CCCOCC(=O)CCOC 1458a_100000745993_100000233755 [0,2,0,0,0,0|1,0,1]=4 2952 B10R0.91 CCCOCC(=O)OCCC 34a_100000210258_200011215008 [0,2,0,0,0,0|1,0,1]=4 2953 B10R0.91 CCCSCC(=O)CCOC 1458a_100000217233_100000233755 [0,2,0,0,0,0|1,0,1]=4 2954 B10R0.91 CCNNC(=O)C=CCOC 22a_100000756455_100016285016 [0,2,0,0,0,0|2,0,0]=4 2955 B10R0.91 CCNNC(=O)C=COCC 22a_100000756455_100016266692 [0,2,0,0,0,0|2,0,0]=4 2956 B10R0.91 CCOC=CC(=O)CCC#N 1458a_100016266692_100011215226 [0,2,0,0,0,0|2,0,0]=4 2957 B10R0.91 CCOC=CC(=O)CCCF 1458a_100016266692_100011934791 [0,2,0,0,0,0|2,0,0]=4 2958 B10R0.91 CCOC=CC(=O)CCCO 1458a_100016266692_100011215043 [0,2,0,0,0,0|2,0,0]=4 2959 B10R0.91 CCOC=CC(=O)CCOC 1458a_100016266692_100000233755 [0,2,0,0,0,0|1,0,0]=3 2960 B10R0.91 CCOC=CC(=O)CCSC 1458a_100016266692_100000751147 [0,2,0,0,0,0|1,1,0]=4 2961 B10R0.91 CCOC=CC(=O)NCC#N 1626a_100000734998_100016266692 [0,2,0,0,0,0|2,0,0]=4 2962 B10R0.91 CCOC=CC(=O)NCCF 11a_100000724931_100016266692 [0,2,0,0,0,0|2,0,0]=4 2963 B10R0.91 CCOC=CC(=O)NCCF 1626a_100000724931_100016266692 [0,2,0,0,0,0|2,0,0]=4 2964 B10R0.91 CCOC=CC(=O)NCCF 240690a_100000724931_100016266692 [0,2,0,0,0,0|2,0,0]=4 2965 B10R0.91 CCOC=CC(=O)NCCO 240690a_100000210304_100016266692 [0,2,0,0,0,0|2,0,0]=4 2966 B10R0.91 COCC=CC(=O)CCC#N 1458a_100016285016_100011215226 [0,2,0,0,0,0|2,0,0]=4 2967 B10R0.91 COCC=CC(=O)CCCF 1458a_100016285016_100011934791 [0,2,0,0,0,0|2,0,0]=4 2968 B10R0.91 COCC=CC(=O)CCCO 1458a_100016285016_100011215043 [0,2,0,0,0,0|2,0,0]=4 2969 B10R0.91 COCC=CC(=O)CCOC 1458a_100016285016_100000233755 [0,2,0,0,0,0|1,0,0]=3 2970 B10R0.91 COCC=CC(=O)CCSC 1458a_100016285016_100000751147 [0,2,0,0,0,0|1,1,0]=4 2971 B10R0.91 COCC=CC(=O)NCC#N 1626a_100000734998_100016285016 [0,2,0,0,0,0|2,0,0]=4 2972 B10R0.91 COCC=CC(=O)NCCF 11a_100000724931_100016285016 [0,2,0,0,0,0|2,0,0]=4 2973 B10R0.91 COCC=CC(=O)NCCF 1626a_100000724931_100016285016 [0,2,0,0,0,0|2,0,0]=4 2974 B10R0.91 COCC=CC(=O)NCCF 240690a_100000724931_100016285016 [0,2,0,0,0,0|2,0,0]=4 2975 B10R0.91 COCC=CC(=O)NCCO 240690a_100000210304_100016285016 [0,2,0,0,0,0|2,0,0]=4 2976 B10R0.108 CC=C(C)C=CC(=O)CCC 1458a_100000692105_100000210303 [0,2,0,0,0,0|2,0,0]=4 2977 B10R0.108 CCC(C)CNC(=O)COC 11a_100020588543_100000210968 [0,2,0,0,0,0|1,0,1]=4 2978 B10R0.108 CCC(C)CNC(=O)COC 1626a_100020588543_100000210968 [0,2,0,0,0,0|1,0,1]=4 2979 B10R0.108 CCC(C)CNC(=O)COC 240690a_100020588543_100000210968 [0,2,0,0,0,0|1,0,1]=4 2980 B10R0.108 CCC(C)CNC(=O)COC 527a_100020588543_100000210968 [0,2,0,0,0,0|1,0,1]=4 2981 B10R0.108 CCC(C)NNC(=O)COC 22a_100000718999_100000210968 [0,2,0,0,0,0|2,0,0]=4 2982 B10R0.108 CCC(O)CNC(=O)COC 11a_100011218483_100000210968 [0,2,0,0,0,0|1,0,1]=4 2983 B10R0.108 CCC(O)CNC(=O)COC 240690a_100011218483_100000210968 [0,2,0,0,0,0|1,0,1]=4 2984 B10R0.108 CCC(O)CNC(=O)COC 527a_100011218483_100000210968 [0,2,0,0,0,0|1,0,1]=4 2985 B10R0.108 CCCC(=NNC(=O)CC)C 4a_100000183195_100000211909 [0,2,0,0,0,0|2,0,0]=4 2986 B10R0.108 CCCC(=O)C=CC(=O)NC 1458a_100016259477_100000210303 [0,2,0,0,0,0|1,0,0]=3 2987 B10R0.108 CCCC(=O)CCC(=O)NC 1458a_100011309844_100000210303 [0,2,0,0,0,0|1,0,1]=4 2988 B10R0.108 CCCC(=O)CCC(=O)OC 1458a_100000187943_100000210303 [0,2,0,0,0,0|0,0,1]=3 2989 B10R0.108 CCCC(=O)CNC(=O)CC 1458a_100000194589_100000210303 [0,2,0,0,0,0|1,0,1]=4 2990 B10R0.108 CCCC(=O)CNC(=O)OC 1458a_100000215747_100000210303 [0,2,0,0,0,0|0,0,1]=3 2991 B10R0.108 CCCC(=O)NCC(=O)NC 11a_100000693194_100000211992 [0,2,0,0,0,0|1,0,1]=4 2992 B10R0.108 CCCC(=O)NCC(=O)NC 240690a_100000693194_100000211992 [0,2,0,0,0,0|1,0,1]=4 2993 B10R0.108 CCCC(=O)NCC(=O)NC 527a_100000693194_100000211992 [0,2,0,0,0,0|1,0,1]=4 2994 B10R0.108 CCCC(=O)NCC(=O)OC 188690a_100000185156_100000211992 [0,2,0,0,0,0|0,0,1]=3 2995 B10R0.108 CCCC(=O)NNC(=O)CC 22a_100000183195_100000211992 [0,2,0,0,0,0|2,0,0]=4 2996 B10R0.108 CCCC(=O)NNC(=O)CC 22a_100000189770_100000210414 [0,2,0,0,0,0|2,0,0]=4 2997 B10R0.108 CCCC(=O)NNC(=O)NC 273464a_100102657272_100000189770 [0,2,0,0,0,0|2,0,0]=4 2998 B10R0.108 CCCC(=O)NNC(=O)NC 512a_100000189770_100102657272 [0,2,0,0,0,0|2,0,0]=4 2999 B10R0.108 CCCC(=O)OCC(=O)CC 1458a_100000210414_100000034017 [0,2,0,0,0,0|1,0,1]=4 3000 B10R0.108 CCCC(C)NCC(=O)OC 2230a_100000741246_100000747449 [0,2,0,0,0,0|0,0,2]=4 3001 B10R0.108 CCCC(C)OCC(=O)OC 34a_100000764384_100000747449 [0,2,0,0,0,0|0,0,2]=4 3002 B10R0.108 CCCC(C)OCC(=O)OC 7a_100000764384_100000747449 [0,2,0,0,0,0|0,0,2]=4 3003 B10R0.108 CCCC(C)SCC(=O)OC 62a_100000747449_100000766640 [0,2,0,0,0,0|0,0,2]=4 3004 B10R0.108 CCCC(C)SCC(=O)OC 62a_100000766640_100000747449 [0,2,0,0,0,0|0,0,2]=4 3005 B10R0.108 CCCN(C)CCC(=O)OC 2230a_100000747261_100000204255 [0,2,0,0,0,0|0,0,2]=4 3006 B10R0.108 CCCN(C)CCC(=O)OC 269982a_100000747261_100000204255 [0,2,0,0,0,0|0,0,2]=4 3007 B10R0.108 CCCN(C)CCC(=O)OC 269982a_100025711912_100000210303 [0,2,0,0,0,0|0,0,2]=4 3008 B10R0.108 CCNC(=O)CCC(=O)OC 11a_100015525214_100000187943 [0,2,0,0,0,0|1,0,1]=4 3009 B10R0.108 CCNC(=O)CCC(=O)OC 240690a_100015525214_100000187943 [0,2,0,0,0,0|1,0,1]=4 3010 B10R0.108 CCNC(=O)CCC(=O)OC 527a_100015525214_100000187943 [0,2,0,0,0,0|1,0,1]=4 3011 B10R0.108 CCNC(=O)CNC(=O)OC 11a_100015525214_100000215747 [0,2,0,0,0,0|1,0,1]=4 3012 B10R0.108 CCNC(=O)CNC(=O)OC 240690a_100015525214_100000215747 [0,2,0,0,0,0|1,0,1]=4 3013 B10R0.108 CCNC(=O)CNC(=O)OC 527a_100015525214_100000215747 [0,2,0,0,0,0|1,0,1]=4 3014 B10R0.108 CCOC(=O)C=CC(=O)CC 1458a_100000210415_100000210202 [0,2,0,0,0,0|0,0,1]=3 3015 B10R0.108 CCOC(=O)C=CC(=O)CF 1458a_100000210415_100015361967 [0,2,0,0,0,0|1,0,1]=4 3016 B10R0.108 CCOC(=O)C=CC(=O)NC 1626a_100102657272_100000210415 [0,2,0,0,0,0|1,0,1]=4 3017 B10R0.108 CCOC(=O)C=CC(=O)NC 240690a_100102657272_100000210415 [0,2,0,0,0,0|1,0,1]=4 3018 B10R0.108 CCOC(=O)CNC(C)CC 2230a_100000209981_100000188475 [0,2,0,0,0,0|1,0,1]=4 3019 B10R0.108 CCOC(=O)COC(C)CC 7a_100000210228_100000188475 [0,2,0,0,0,0|1,0,1]=4 3020 B10R0.108 CCOC(=O)CSC(C)CC 62a_100000188475_100000758301 [0,2,0,0,0,0|1,0,1]=4 3021 B10R0.108 CCOC(=O)CSC(C)CC 62a_100000758301_100000188475 [0,2,0,0,0,0|1,0,1]=4 3022 B10R0.108 CNC(=O)C=CC(=O)CCF 1458a_100016259477_100011217306 [0,2,0,0,0,0|1,0,1]=4 3023 B10R0.108 CNC(=O)C=CC(=O)CCO 1458a_100016259477_100000211926 [0,2,0,0,0,0|1,0,1]=4 3024 B10R0.108 CNCC(=O)CCC(=O)OC 2230a_106832991635_100000691467 [0,2,0,0,0,0|1,0,1]=4 3025 B10R0.108 CNCC(=O)CCC(=O)OC 34a_100102657272_100000691467 [0,2,0,0,0,0|1,0,1]=4 3026 B10R0.108 CNCC(=O)CCC(=O)OC 7a_106832991635_100000691467 [0,2,0,0,0,0|1,0,1]=4 3027 B10R0.108 CNCC(=O)NCC(=O)OC 2230a_106832991635_100000182966 [0,2,0,0,0,0|1,0,1]=4 3028 B10R0.108 CNCC(=O)NCC(=O)OC 34a_100102657272_100000182966 [0,2,0,0,0,0|1,0,1]=4 3029 B10R0.108 CNCC(=O)NCC(=O)OC 7a_106832991635_100000182966 [0,2,0,0,0,0|1,0,1]=4 3030 B10R0.108 CNNC(=O)C=CC(=O)OC 22a_100016993582_100016283253 [0,2,0,0,0,0|1,0,1]=4 3031 B10R0.108 COC(=O)CCC(=O)CCF 1458a_100000187943_100011217306 [0,2,0,0,0,0|1,0,1]=4 3032 B10R0.108 COC(=O)CCC(=O)CCO 1458a_100000187943_100000211926 [0,2,0,0,0,0|1,0,1]=4 3033 B10R0.108 COC(=O)CCC(=O)CSC 62a_100000691467_200000210301 [0,2,0,0,0,0|1,0,1]=4 3034 B10R0.108 COC(=O)CCC(=O)CSC 62a_200000210301_100000691467 [0,2,0,0,0,0|1,0,1]=4 3035 B10R0.108 COC(=O)CCC(=O)CS[13CH3] 62a_100000691467_200025704644 [0,2,0,0,0,0|1,0,1]=4 3036 B10R0.108 COC(=O)CCC(=O)CS[13CH3] 62a_200025704644_100000691467 [0,2,0,0,0,0|1,0,1]=4 3037 B10R0.108 COC(=O)CNC(=O)CSC 188690a_100000185156_100000184570 [0,2,0,0,0,0|1,0,1]=4 3038 B10R0.108 COC(=O)CNC(=O)CSC 62a_100000182966_200000210301 [0,2,0,0,0,0|1,0,1]=4 3039 B10R0.108 COC(=O)CNC(=O)CSC 62a_200000210301_100000182966 [0,2,0,0,0,0|1,0,1]=4 3040 B10R0.108 COC(=O)CNC(=O)CS[13CH3] 62a_100000182966_200025704644 [0,2,0,0,0,0|1,0,1]=4 3041 B10R0.108 COC(=O)CNC(=O)CS[13CH3] 62a_200025704644_100000182966 [0,2,0,0,0,0|1,0,1]=4 3042 B10R0.108 COC(=O)CN[C@H](C)CCO 2230a_100000706166_100000747449 [0,2,0,0,0,0|1,0,1]=4 3043 B10R0.108 COC(=O)CN[C@H](C)CCO 34a_100000706166_100000747449 [0,2,0,0,0,0|1,0,1]=4 3044 B10R0.108 COC(=O)COC(C)CCBr 34a_100012276601_100000747449 [0,2,0,0,0,0|1,0,1]=4 3045 B10R0.108 COC(=O)CSC(C)CCO 62a_100000747449_100009893172 [0,2,0,0,0,0|1,0,1]=4 3046 B10R0.108 COC(=O)CSC(C)CCO 62a_100009893172_100000747449 [0,2,0,0,0,0|1,0,1]=4 3047 B10R0.108 COC(=O)NCC(=O)CCF 1458a_100000215747_100011217306 [0,2,0,0,0,0|1,0,1]=4 3048 B10R0.108 COC(=O)NCC(=O)CCO 1458a_100000215747_100000211926 [0,2,0,0,0,0|1,0,1]=4 3049 B10R0.108 COCC(=O)CCC(=O)OC 34a_100138415774_100000691467 [0,2,0,0,0,0|1,0,1]=4 3050 B10R0.108 COCC(=O)NCC(=O)OC 188690a_100000185156_100000210968 [0,2,0,0,0,0|1,0,1]=4 3051 B10R0.108 COCC(=O)NCC(=O)OC 34a_100138415774_100000182966 [0,2,0,0,0,0|1,0,1]=4 3052 B10R0.108 COCC(C)SCC(=O)OC 62a_100000747449_100000765312 [0,2,0,0,0,0|1,0,1]=4 3053 B10R0.108 COCC(C)SCC(=O)OC 62a_100000765312_100000747449 [0,2,0,0,0,0|1,0,1]=4 3054 B10R0.108 COC[C@@H](C)NCC(=O)OC 2230a_100000764878_100000747449 [0,2,0,0,0,0|1,0,1]=4 3055 B10R0.108 COC[C@@H](C)OCC(=O)OC 34a_100011934205_100000747449 [0,2,0,0,0,0|1,0,1]=4 3056 B10R0.35 CCCC(=O)C(C)C(=O)CC 1458a_100000211992_100000742827 [0,2,0,0,0,0|1,0,1]=4 3057 B10R0.35 CCCC(=O)C(C)C(=O)NC 1458a_100000211992_100000209862 [0,2,0,0,0,0|1,0,1]=4 3058 B10R0.35 CCCC(=O)C(C)C(=O)OC 1458a_100000211992_100000211248 [0,2,0,0,0,0|0,0,1]=3 3059 B10R0.35 CCCC(=O)C(C)C(=O)OC 1458a_100012027023_100000210303 [0,2,0,0,0,0|0,0,1]=3 3060 B10R0.35 CCCC(=O)C(F)C(=O)NC 1458a_100000211992_100009813575 [0,2,0,0,0,0|1,0,1]=4 3061 B10R0.35 CCCC(C)C(=O)C(=O)NC 1458a_100011218921_100000766640 [0,2,0,0,0,0|1,0,1]=4 3062 B10R0.35 CCCN(C)C(=O)C(=O)NC 1626a_100000747261_100011218921 [0,2,0,0,0,0|2,0,0]=4 3063 B10R0.35 CCCN(C)C(=O)C(=O)NC 240690a_100000747261_100011218921 [0,2,0,0,0,0|2,0,0]=4 3064 B10R0.35 CCCN(C)C(=O)C(=O)NC 527a_100000747261_100011218921 [0,2,0,0,0,0|2,0,0]=4 3065 B10R0.35 CCCN(C)C(=O)C(=O)OC 11a_100000747261_100000024059 [0,2,0,0,0,0|1,0,0]=3 3066 B10R0.35 CCCN(C)C(=O)C(=O)OC 1626a_100000747261_100000024059 [0,2,0,0,0,0|1,0,0]=3 3067 B10R0.35 CCCN(C)C(=O)C(=O)OC 240690a_100000747261_100000024059 [0,2,0,0,0,0|1,0,0]=3 3068 B10R0.35 CCCN(C)C(=O)C(=O)OC 527a_100000747261_100000024059 [0,2,0,0,0,0|1,0,0]=3 3069 B10R0.35 CCCN(C)C(C)C(=O)OC 2230a_100000725243_100000210303 [0,2,0,0,0,0|1,0,1]=4 3070 B10R0.35 CCCN(C)C(C)C(=O)OC 2230a_100000747261_100000211248 [0,2,0,0,0,0|1,0,1]=4 3071 B10R0.35 CCCN(C)C(C)C(=O)OC 269982a_100000725243_100000210303 [0,2,0,0,0,0|1,0,1]=4 3072 B10R0.35 CCCN(C)C(C)C(=O)OC 269982a_100000747261_100000211248 [0,2,0,0,0,0|1,0,1]=4 3073 B10R0.35 CCNC(=O)C(C)C(=O)OC 11a_100015525214_100012027023 [0,2,0,0,0,0|1,0,1]=4 3074 B10R0.35 CCNC(=O)C(C)C(=O)OC 240690a_100015525214_100012027023 [0,2,0,0,0,0|1,0,1]=4 3075 B10R0.35 CCNC(=O)C(C)C(=O)OC 527a_100015525214_100012027023 [0,2,0,0,0,0|1,0,1]=4 3076 B10R0.35 CCNC(C)C(=O)C(=O)OC 2230a_100015525214_100000692041 [0,2,0,0,0,0|1,0,1]=4 3077 B10R0.35 CCOC(C)C(=O)C(=O)OC 34a_100121572206_100000692041 [0,2,0,0,0,0|1,0,1]=4 3078 B10R0.35 CCSC(C)C(=O)C(=O)OC 62a_100000210202_100000692041 [0,2,0,0,0,0|1,0,1]=4 3079 B10R0.35 CCSC(C)C(=O)C(=O)OC 62a_100000692041_100000210202 [0,2,0,0,0,0|1,0,1]=4 3080 B10R0.35 COC(=O)C(=O)N(C)CCO 240690a_100000210263_100000024059 [0,2,0,0,0,0|2,0,0]=4 3081 B10R0.35 COC(=O)C(=O)N(C)CCO 527a_100000210263_100000024059 [0,2,0,0,0,0|2,0,0]=4 3082 B10R0.35 COC(=O)C(C)C(=O)CCF 1458a_100012027023_100011217306 [0,2,0,0,0,0|1,0,1]=4 3083 B10R0.35 COC(=O)C(C)C(=O)CCO 1458a_100011216618_100000211248 [0,2,0,0,0,0|1,0,1]=4 3084 B10R0.35 COC(=O)C(C)C(=O)CCO 1458a_100012027023_100000211926 [0,2,0,0,0,0|1,0,1]=4 3085 B10R0.35 COC(=O)C(C)C(=O)CSC 1458a_100000184570_100000211248 [0,2,0,0,0,0|1,0,1]=4 3086 B10R0.35 COCC(=O)C(C)C(=O)OC 1458a_100000210968_100000211248 [0,2,0,0,0,0|1,0,1]=4 3087 B10R0.46 CCC(=CC(=O)C(C)CC)C 1458a_100020758463_100000758301 [0,2,0,0,0,0|2,0,0]=4 3088 B10R0.46 CCC(=O)C(=O)NC(C)CC 1458a_200011297154_100000210202 [0,2,0,0,0,0|2,0,0]=4 3089 B10R0.46 CCC(=O)CC(=O)C(C)CC 1458a_100011192722_100000747405 [0,2,0,0,0,0|1,0,1]=4 3090 B10R0.46 CCC(=O)CC(=O)C(O)CC 1458a_100011196387_100000747405 [0,2,0,0,0,0|1,0,1]=4 3091 B10R0.46 CCC(C)C(=O)CC(=O)NC 1458a_100011192722_100000183359 [0,2,0,0,0,0|1,0,1]=4 3092 B10R0.46 CCC(C)C(=O)CC(=O)OC 1458a_100000211351_100000758301 [0,2,0,0,0,0|0,0,1]=3 3093 B10R0.46 CCC(C)C(=O)CC(=O)OC 1458a_100011192722_100000747449 [0,2,0,0,0,0|0,0,1]=3 3094 B10R0.46 CCC(C)CC(=O)C(=O)NC 1458a_100011218921_100000748023 [0,2,0,0,0,0|1,0,1]=4 3095 B10R0.46 CCC(C)N(C)CC(=O)OC 2230a_100000198492_100000758301 [0,2,0,0,0,0|1,0,1]=4 3096 B10R0.46 CCC(C)N(C)CC(=O)OC 2230a_100000741768_100000747449 [0,2,0,0,0,0|1,0,1]=4 3097 B10R0.46 CCC(C)N(C)CC(=O)OC 269982a_100000741768_100000747449 [0,2,0,0,0,0|1,0,1]=4 3098 B10R0.46 CCC(C)NC(=O)C(=O)NC 1626a_100000209981_100011218921 [0,2,0,0,0,0|2,0,0]=4 3099 B10R0.46 CCC(C)NC(=O)C(=O)NC 1626a_100102657272_200011297154 [0,2,0,0,0,0|2,0,0]=4 3100 B10R0.46 CCC(C)NC(=O)C(=O)NC 240690a_100000209981_100011218921 [0,2,0,0,0,0|2,0,0]=4 3101 B10R0.46 CCC(C)NC(=O)C(=O)NC 240690a_100102657272_200011297154 [0,2,0,0,0,0|2,0,0]=4 3102 B10R0.46 CCC(C)NC(=O)C(=O)NC 527a_100000209981_100011218921 [0,2,0,0,0,0|2,0,0]=4 3103 B10R0.46 CCC(C)NC(=O)C(=O)NC 527a_100102657272_200011297154 [0,2,0,0,0,0|2,0,0]=4 3104 B10R0.46 CCC(C)NC(=O)C(=O)OC 11a_100000209981_100000024059 [0,2,0,0,0,0|1,0,0]=3 3105 B10R0.46 CCC(C)NC(=O)C(=O)OC 1626a_100000209981_100000024059 [0,2,0,0,0,0|1,0,0]=3 3106 B10R0.46 CCC(C)NC(=O)C(=O)OC 240690a_100000209981_100000024059 [0,2,0,0,0,0|1,0,0]=3 3107 B10R0.46 CCC(C)NC(=O)C(=O)OC 527a_100000209981_100000024059 [0,2,0,0,0,0|1,0,0]=3 3108 B10R0.46 CCC(C)NC(C)C(=O)OC 2230a_100000209981_100000211248 [0,2,0,0,0,0|1,0,1]=4 3109 B10R0.46 CCC(C)OC(C)C(=O)OC 34a_100011215400_100011215416 [0,2,0,0,0,0|1,0,1]=4 3110 B10R0.46 CCC(C)OC(C)C(=O)OC 7a_100000210228_100000211248 [0,2,0,0,0,0|1,0,1]=4 3111 B10R0.46 CCC(C)SC(C)C(=O)OC 62a_100000211248_100000758301 [0,2,0,0,0,0|1,0,1]=4 3112 B10R0.46 CCC(C)SC(C)C(=O)OC 62a_100000758301_100000211248 [0,2,0,0,0,0|1,0,1]=4 3113 B10R0.46 CCC(O)C(=O)CC(=O)NC 1458a_100011196387_100000183359 [0,2,0,0,0,0|1,0,1]=4 3114 B10R0.46 CCC(O)C(=O)CC(=O)OC 1458a_100011196387_100000747449 [0,2,0,0,0,0|0,0,1]=3 3115 B10R0.46 CCC(O)CC(=O)C(=O)NC 1458a_100011218921_100011218378 [0,2,0,0,0,0|1,0,1]=4 3116 B10R0.46 CCN(C)C(=O)CC(=O)OC 240690a_100000225621_100000211351 [0,2,0,0,0,0|1,0,1]=4 3117 B10R0.46 CC[C@H](C)CC(=O)C(=O)NC 1458a_100011218921_100009816398 [0,2,0,0,0,0|1,0,1]=4 3118 B10R0.46 COC(=O)C(=O)N[C@H](C)CF 11a_100102880703_100000024059 [0,2,0,0,0,0|2,0,0]=4 3119 B10R0.46 COC(=O)C(=O)N[C@H](C)CF 1626a_100102880703_100000024059 [0,2,0,0,0,0|2,0,0]=4 3120 B10R0.46 COC(=O)C(=O)N[C@H](C)CF 240690a_100102880703_100000024059 [0,2,0,0,0,0|2,0,0]=4 3121 B10R0.46 COC(=O)C(=O)N[C@H](C)CF 527a_100102880703_100000024059 [0,2,0,0,0,0|2,0,0]=4 3122 B10R0.46 COC(=O)C(=O)N[C@H](C)CO 240690a_100000737577_100000024059 [0,2,0,0,0,0|2,0,0]=4 3123 B10R0.46 COC(=O)C(=O)N[C@H](C)CO 527a_100000737577_100000024059 [0,2,0,0,0,0|2,0,0]=4 3124 B10R0.46 COC(=O)CC(=O)C(C)OC 1458a_100000743197_100000747449 [0,2,0,0,0,0|1,0,1]=4 3125 B10R0.46 COC(=O)CC(=O)C(C)SC 1458a_100000149566_100000747449 [0,2,0,0,0,0|1,0,1]=4 3126 B10R0.46 COC(=O)CC(=O)C(C)SC 62a_100009997173_200000210301 [0,2,0,0,0,0|1,0,1]=4 3127 B10R0.46 COC(=O)CC(=O)C(C)SC 62a_200000210301_100009997173 [0,2,0,0,0,0|1,0,1]=4 3128 B10R0.46 COC(=O)CC(=O)C(C)S[13CH3] 62a_100009997173_200025704644 [0,2,0,0,0,0|1,0,1]=4 3129 B10R0.46 COC(=O)CC(=O)C(C)S[13CH3] 62a_200025704644_100009997173 [0,2,0,0,0,0|1,0,1]=4 3130 B10R0.46 COC(=O)CC(=O)C(O)CO 1458a_100011215603_100000747449 [0,2,0,0,0,0|1,0,1]=4 3131 B10R0.81 CCC/C=C(\C)/C(=O)C(C)C 1458a_200020648666_100000210206 [0,2,0,0,0,0|1,0,0]=3 3132 B10R0.81 CCC/C=C(\C)/C(=O)N(C)C 11a_100102631434_200020648666 [0,2,0,0,0,0|1,0,0]=3 3133 B10R0.81 CCC/C=C(\C)/C(=O)N(C)C 1626a_100102631434_200020648666 [0,2,0,0,0,0|1,0,0]=3 3134 B10R0.81 CCC/C=C(\C)/C(=O)N(C)C 240690a_100102631434_200020648666 [0,2,0,0,0,0|1,0,0]=3 3135 B10R0.81 CCCCC(=O)C(=O)N(C)C 1458a_100011218876_100000210211 [0,2,0,0,0,0|1,0,1]=4 3136 B10R0.81 CCCNC(=O)C(=O)C(C)C 1458a_200011297150_100000210206 [0,2,0,0,0,0|2,0,0]=4 3137 B10R0.81 CCCNC(=O)C(=O)N(C)C 1626a_100020643023_100011218876 [0,2,0,0,0,0|2,0,0]=4 3138 B10R0.81 CCCNC(=O)C(=O)N(C)C 1626a_100102631434_200011297150 [0,2,0,0,0,0|2,0,0]=4 3139 B10R0.81 CCCNC(=O)C(=O)N(C)C 240690a_100020643023_100011218876 [0,2,0,0,0,0|2,0,0]=4 3140 B10R0.81 CCCNC(=O)C(=O)N(C)C 240690a_100102631434_200011297150 [0,2,0,0,0,0|2,0,0]=4 3141 B10R0.81 CCCNC(=O)C(=O)N(C)C 527a_100020643023_100011218876 [0,2,0,0,0,0|2,0,0]=4 3142 B10R0.81 CCCNC(=O)C(=O)N(C)C 527a_100102631434_200011297150 [0,2,0,0,0,0|2,0,0]=4 3143 B10R0.85 CCCCC(NC)C(=O)OC 2230a_106832991635_100000750740 [0,2,0,0,0,0|0,0,2]=4 3144 B10R0.85 CCCCC(NC)C(=O)OC 34a_100102657272_100000750740 [0,2,0,0,0,0|0,0,2]=4 3145 B10R0.85 CCCCC(NC)C(=O)OC 7a_106832991635_100000750740 [0,2,0,0,0,0|0,0,2]=4 3146 B10R0.85 CCCCC(OC)C(=O)OC 34a_100138415774_100000750740 [0,2,0,0,0,0|0,0,2]=4 3147 B10R0.85 CCCCC(SC)C(=O)OC 62a_100000750740_200000210301 [0,2,0,0,0,0|0,0,2]=4 3148 B10R0.85 CCCCC(SC)C(=O)OC 62a_200000210301_100000750740 [0,2,0,0,0,0|0,0,2]=4 3149 B10R0.85 CCCCC(S[13CH3])C(=O)OC 62a_100000750740_200025704644 [0,2,0,0,0,0|0,0,2]=4 3150 B10R0.85 CCCCC(S[13CH3])C(=O)OC 62a_200025704644_100000750740 [0,2,0,0,0,0|0,0,2]=4 3151 B10R0.85 CCCOC(C=O)C(=O)OC 34a_100000210258_100000046368 [0,2,0,0,0,0|1,0,1]=4 3152 B10R0.85 CCCOC(CC)C(=O)OC 34a_100000210258_100000235869 [0,2,0,0,0,0|1,0,1]=4 3153 B10R0.85 CCCOC(CC)C(=O)OC 34a_100000695916_100000210303 [0,2,0,0,0,0|1,0,1]=4 3154 B10R0.85 CCCOC(CC)C(=O)OC 7a_100000695916_100000210303 [0,2,0,0,0,0|1,0,1]=4 3155 B10R0.85 CCCOC(CN)C(=O)OC 34a_100000695228_100000210303 [0,2,0,0,0,0|1,0,1]=4 3156 B10R0.85 CCCOC(CO)C(=O)OC 34a_100000210258_100012276630 [0,2,0,0,0,0|1,0,1]=4 3157 B10R0.85 CCCOC(OC)C(=O)OC 34a_100000036821_100000210303 [0,2,0,0,0,0|1,0,1]=4 3158 B10R0.85 CCCOC(OC)C(=O)OC 34a_100000210258_100000101307 [0,2,0,0,0,0|1,0,1]=4 3159 B10R0.85 CCCSC(C=O)C(=O)OC 62a_100000046368_100000210303 [0,2,0,0,0,0|1,0,1]=4 3160 B10R0.85 CCCSC(C=O)C(=O)OC 62a_100000210303_100000046368 [0,2,0,0,0,0|1,0,1]=4 3161 B10R0.85 CCCSC(CC)C(=O)OC 62a_100000210303_100000235869 [0,2,0,0,0,0|1,0,1]=4 3162 B10R0.85 CCCSC(CC)C(=O)OC 62a_100000235869_100000210303 [0,2,0,0,0,0|1,0,1]=4 3163 B10R0.85 CCCSC(CO)C(=O)OC 62a_100000210303_100012276630 [0,2,0,0,0,0|1,0,1]=4 3164 B10R0.85 CCCSC(CO)C(=O)OC 62a_100012276630_100000210303 [0,2,0,0,0,0|1,0,1]=4 3165 B10R0.85 CCCSC(OC)C(=O)OC 62a_100000101307_100000210303 [0,2,0,0,0,0|1,0,1]=4 3166 B10R0.85 CCCSC(OC)C(=O)OC 62a_100000210303_100000101307 [0,2,0,0,0,0|1,0,1]=4 3167 B10R0.85 CCNN=C(CC)C(=O)OC 4a_100000756455_100000688641 [0,2,0,0,0,0|2,0,0]=4 3168 B10R0.124 CCCOC(C)(C)C(=O)OC 34a_100011217581_100000210303 [0,2,0,0,0,0|1,0,1]=4 3169 B10R0.124 CCCOC(C)(C)C(=O)OC 7a_100011217581_100000210303 [0,2,0,0,0,0|1,0,1]=4 3170 B10R0.124 CCCOC(C)(F)C(=O)OC 34a_100000210258_200009867631 [0,2,0,0,0,0|1,0,1]=4 3171 B10R0.124 CCCOC(F)(F)C(=O)OC 34a_100000210258_100000211177 [0,2,0,0,0,0|1,0,1]=4 3172 B10R0.124 CCCSC(C)(C)C(=O)OC 62a_100000210303_100000689032 [0,2,0,0,0,0|1,0,1]=4 3173 B10R0.124 CCCSC(C)(C)C(=O)OC 62a_100000689032_100000210303 [0,2,0,0,0,0|1,0,1]=4 3174 B10R0.124 CCCSC(C)(F)C(=O)OC 62a_100000210303_200009867631 [0,2,0,0,0,0|1,0,1]=4 3175 B10R0.124 CCCSC(C)(F)C(=O)OC 62a_200009867631_100000210303 [0,2,0,0,0,0|1,0,1]=4 3176 B10R0.124 CCCSC(F)(F)C(=O)OC 62a_100000210303_100000211177 [0,2,0,0,0,0|1,0,1]=4 3177 B10R0.124 CCCSC(F)(F)C(=O)OC 62a_100000211177_100000210303 [0,2,0,0,0,0|1,0,1]=4 3178 B10R0.115 CCC(C)(C)NCC(=O)OC 2230a_100000211385_100000747449 [0,2,0,0,0,0|1,0,1]=4 3179 B10R0.115 CCC(C)(C)OCC(=O)OC 7a_100000210230_100000747449 [0,2,0,0,0,0|1,0,1]=4 3180 B10R0.115 CCC(C)(C)SCC(=O)OC 62a_100000032637_100000747449 [0,2,0,0,0,0|1,0,1]=4 3181 B10R0.115 CCC(C)(C)SCC(=O)OC 62a_100000747449_100000032637 [0,2,0,0,0,0|1,0,1]=4 3182 B10R0.45 C#CC(CC)OCC(=O)OC 34a_100000758843_100000747449 [0,2,0,0,0,0|1,0,1]=4 3183 B10R0.45 C#CC(CC)OCC(=O)OC 7a_100000758843_100000747449 [0,2,0,0,0,0|1,0,1]=4 3184 B10R0.45 C=CC(CC)OCC(=O)OC 34a_100000766422_100000747449 [0,2,0,0,0,0|1,0,1]=4 3185 B10R0.45 C=CC(CC)OCC(=O)OC 7a_100000766422_100000747449 [0,2,0,0,0,0|1,0,1]=4 3186 B10R0.45 CCC(CC)NCC(=O)OC 2230a_100000199018_100000747449 [0,2,0,0,0,0|1,0,1]=4 3187 B10R0.45 CCC(CC)OCC(=O)OC 7a_100000688536_100000747449 [0,2,0,0,0,0|1,0,1]=4 3188 B10R0.45 CCC(CC)SCC(=O)OC 62a_100000210505_100000747449 [0,2,0,0,0,0|1,0,1]=4 3189 B10R0.45 CCC(CC)SCC(=O)OC 62a_100000747449_100000210505 [0,2,0,0,0,0|1,0,1]=4 3190 B10R0.45 CC[C@@H](CO)NCC(=O)OC 2230a_100000709445_100000747449 [0,2,0,0,0,0|1,0,1]=4 3191 B10R0.18 C#CCCC(=O)CC(=O)OC 1458a_100000211351_100000753159 [0,2,0,0,0,0|0,0,2]=4 3192 B10R0.18 C#CCCC(=O)CC(=O)OC 1458a_100000692101_100000747449 [0,2,0,0,0,0|0,0,2]=4 3193 B10R0.18 C/C=C/CC(=O)CC(=O)OC 1458a_100000211351_100102629194 [0,2,0,0,0,0|0,0,2]=4 3194 B10R0.18 C=CCCC(=O)CC(=O)OC 1458a_100000211351_100000754431 [0,2,0,0,0,0|0,0,2]=4 3195 B10R0.18 C=CCCC(=O)CC(=O)OC 1458a_100000749702_100000747449 [0,2,0,0,0,0|0,0,2]=4 3196 B10R0.18 CC#CCC(=O)CC(=O)OC 1458a_100000211351_100000748600 [0,2,0,0,0,0|0,0,2]=4 3197 B10R0.18 CC=CCC(=O)CC(=O)OC 1458a_100000211351_100000070051 [0,2,0,0,0,0|0,0,2]=4 3198 B10R0.18 CC=CCC(=O)CC(=O)OC 1458a_100121576822_100000747449 [0,2,0,0,0,0|0,0,2]=4 3199 B10R0.18 CCC#CC(=O)CC(=O)OC 1458a_100011827653_100000747449 [0,2,0,0,0,0|0,0,2]=4 3200 B10R0.18 CCC(=CC(=O)CCCF)C 1458a_100020758463_100011934791 [0,2,0,0,0,0|2,0,0]=4 3201 B10R0.18 CCC(=CC(=O)CCCO)C 1458a_100020758463_100011215043 [0,2,0,0,0,0|2,0,0]=4 3202 B10R0.18 CCC(=CC(=O)CCOC)C 1458a_100020758463_100000233755 [0,2,0,0,0,0|2,0,0]=4 3203 B10R0.18 CCC(=CC(=O)CCSC)C 1458a_100020758463_100000751147 [0,2,0,0,0,0|2,0,0]=4 3204 B10R0.18 CCC(=O)CC(=O)CCOC 1458a_100000749529_100000747405 [0,2,0,0,0,0|1,0,1]=4 3205 B10R0.18 CCC(=O)CC(=O)CCSC 1458a_100000174002_100000747405 [0,2,0,0,0,0|1,0,1]=4 3206 B10R0.18 CCC=CC(=O)CC(=O)CC 1458a_100000212282_100000747405 [0,2,0,0,0,0|1,0,1]=4 3207 B10R0.18 CCC=CC(=O)CC(=O)NC 1458a_100000212282_100000183359 [0,2,0,0,0,0|1,0,1]=4 3208 B10R0.18 CCC=CC(=O)CC(=O)OC 1458a_100000212282_100000747449 [0,2,0,0,0,0|0,0,1]=3 3209 B10R0.18 CCCCC(=O)C=C(C)CC 1458a_100020758463_100000210211 [0,2,0,0,0,0|2,0,0]=4 3210 B10R0.18 CCCCC(=O)CC(=O)CC 1458a_100000210183_100000747405 [0,2,0,0,0,0|1,0,1]=4 3211 B10R0.18 CCCCC(=O)CC(=O)NC 1458a_100000210183_100000183359 [0,2,0,0,0,0|1,0,1]=4 3212 B10R0.18 CCCCC(=O)CC(=O)OC 1458a_100000210183_100000747449 [0,2,0,0,0,0|0,0,1]=3 3213 B10R0.18 CCCCC(=O)CC(=O)OC 1458a_100000211351_100000210211 [0,2,0,0,0,0|0,0,1]=3 3214 B10R0.18 CCCCN(C)CC(=O)OC 2230a_100000198492_100000210211 [0,2,0,0,0,0|0,0,2]=4 3215 B10R0.18 CCCCN(C)CC(=O)OC 2230a_100000207549_100000747449 [0,2,0,0,0,0|0,0,2]=4 3216 B10R0.18 CCCCN(C)CC(=O)OC 269982a_100000207549_100000747449 [0,2,0,0,0,0|0,0,2]=4 3217 B10R0.18 CCCNC(=O)C=C(C)CC 11a_100020643023_100020758463 [0,2,0,0,0,0|2,0,0]=4 3218 B10R0.18 CCCNC(=O)C=C(C)CC 1626a_100020643023_100020758463 [0,2,0,0,0,0|2,0,0]=4 3219 B10R0.18 CCCNC(=O)C=C(C)CC 240690a_100020643023_100020758463 [0,2,0,0,0,0|2,0,0]=4 3220 B10R0.18 CCCNC(=O)CC(=O)CC 1458a_100000210414_100000183358 [0,2,0,0,0,0|1,0,1]=4 3221 B10R0.18 CCCNC(=O)CC(=O)OC 240690a_100020643023_100000211351 [0,2,0,0,0,0|0,0,1]=3 3222 B10R0.18 CCCOC(=O)CC(=O)CC 1458a_100000210414_200011215008 [0,2,0,0,0,0|1,0,1]=4 3223 B10R0.18 CCCOC(C)CC(=O)OC 34a_100000210258_100009817358 [0,2,0,0,0,0|0,0,2]=4 3224 B10R0.18 CCCSC(C)CC(=O)OC 62a_100000210303_100009817358 [0,2,0,0,0,0|0,0,2]=4 3225 B10R0.18 CCCSC(C)CC(=O)OC 62a_100009817358_100000210303 [0,2,0,0,0,0|0,0,2]=4 3226 B10R0.18 CCNN=C(C)CC(=O)OC 4a_100000756455_100000210079 [0,2,0,0,0,0|1,0,1]=4 3227 B10R0.18 CCNNC(=O)CC(=O)OC 22a_100000756455_100000211351 [0,2,0,0,0,0|1,0,1]=4 3228 B10R0.18 CCOCC(=O)CC(=O)CC 1458a_100000211967_100000747405 [0,2,0,0,0,0|1,0,1]=4 3229 B10R0.18 CCOCC(=O)CC(=O)NC 1458a_100000211967_100000183359 [0,2,0,0,0,0|1,0,1]=4 3230 B10R0.18 CCOCC(=O)CC(=O)OC 1458a_100000211967_100000747449 [0,2,0,0,0,0|0,0,1]=3 3231 B10R0.18 CCOC[C@H](O)CC(=O)OC 34a_100121572206_100000754131 [0,2,0,0,0,0|0,0,2]=4 3232 B10R0.18 CCSCC(=O)CC(=O)CC 1458a_100000230394_100000747405 [0,2,0,0,0,0|1,0,1]=4 3233 B10R0.18 CCSCC(=O)CC(=O)NC 1458a_100000230394_100000183359 [0,2,0,0,0,0|1,0,1]=4 3234 B10R0.18 CCSCC(=O)CC(=O)OC 1458a_100000230394_100000747449 [0,2,0,0,0,0|0,0,1]=3 3235 B10R0.18 CCSCC(=O)CC(=O)OC 62a_100000210202_100000210525 [0,2,0,0,0,0|0,0,1]=3 3236 B10R0.18 CCSCC(=O)CC(=O)OC 62a_100000210525_100000210202 [0,2,0,0,0,0|0,0,1]=3 3237 B10R0.18 CCSCC(=O)NC(=O)OC 62a_100000210202_100000010850 [0,2,0,0,0,0|1,0,0]=3 3238 B10R0.18 CCSC[C@H](O)CC(=O)OC 62a_100000210202_100000754131 [0,2,0,0,0,0|0,0,2]=4 3239 B10R0.18 CCSC[C@H](O)CC(=O)OC 62a_100000754131_100000210202 [0,2,0,0,0,0|0,0,2]=4 3240 B10R0.18 CNC(=O)CC(=O)CCOC 1458a_100000749529_100000183359 [0,2,0,0,0,0|1,0,1]=4 3241 B10R0.18 CNC(=O)CC(=O)CCSC 1458a_100000174002_100000183359 [0,2,0,0,0,0|1,0,1]=4 3242 B10R0.18 COC(=O)CC(=O)CCC#N 1458a_100000211351_100011215226 [0,2,0,0,0,0|0,0,2]=4 3243 B10R0.18 COC(=O)CC(=O)CCC#N 1458a_100011934036_100000747449 [0,2,0,0,0,0|0,0,2]=4 3244 B10R0.18 COC(=O)CC(=O)CCCF 1458a_100000211351_100011934791 [0,2,0,0,0,0|0,0,1]=3 3245 B10R0.18 COC(=O)CC(=O)CCCO 1458a_100000211351_100011215043 [0,2,0,0,0,0|0,0,1]=3 3246 B10R0.18 COC(=O)CC(=O)CCSC 1458a_100000174002_100000747449 [0,2,0,0,0,0|0,0,1]=3 3247 B10R0.18 COC(=O)CC(=O)CCSC 1458a_100000211351_100000751147 [0,2,0,0,0,0|0,0,1]=3 3248 B10R0.18 COC(=O)CC(=O)CSCF 62a_100000210525_100015361967 [0,2,0,0,0,0|1,0,1]=4 3249 B10R0.18 COC(=O)CC(=O)CSCF 62a_100015361967_100000210525 [0,2,0,0,0,0|1,0,1]=4 3250 B10R0.18 COC(=O)CC(=O)NCCF 240690a_100000724931_100000211351 [0,2,0,0,0,0|1,0,1]=4 3251 B10R0.18 COC(=O)CC(=O)NCCO 240690a_100000210304_100000211351 [0,2,0,0,0,0|1,0,1]=4 3252 B10R0.18 COC(=O)CN(C)CCCF 2230a_100000198492_100011934791 [0,2,0,0,0,0|1,0,1]=4 3253 B10R0.18 COC(=O)CN(C)CCCO 2230a_100000198492_100000230001 [0,2,0,0,0,0|1,0,1]=4 3254 B10R0.18 COC(=O)CN(C)CCCO 2230a_100000213112_100000747449 [0,2,0,0,0,0|1,0,1]=4 3255 B10R0.18 COC(=O)CN(C)CCCO 269982a_100000213112_100000747449 [0,2,0,0,0,0|1,0,1]=4 3256 B10R0.18 COC(=O)CN(C)CCSC 2230a_100000198492_100000751147 [0,2,0,0,0,0|1,0,1]=4 3257 B10R0.18 COC(=O)CN(C)CCSC 2230a_100000686725_100000747449 [0,2,0,0,0,0|1,0,1]=4 3258 B10R0.18 COC(=O)CN(C)CCSC 269982a_100000686725_100000747449 [0,2,0,0,0,0|1,0,1]=4 3259 B10R0.18 COC(=O)NC(=O)CSCF 62a_100015361967_100000010850 [0,2,0,0,0,0|2,0,0]=4 3260 B10R0.18 COC=CC(=O)CC(=O)OC 1458a_100016268678_100000747449 [0,2,0,0,0,0|1,0,1]=4 3261 B10R0.18 COCCC(=O)CC(=O)OC 1458a_100000211351_100000233755 [0,2,0,0,0,0|0,0,1]=3 3262 B10R0.18 COCCC(=O)CC(=O)OC 1458a_100000749529_100000747449 [0,2,0,0,0,0|0,0,1]=3 3263 B10R0.18 COCCN(C)CC(=O)OC 2230a_100000198492_100011201679 [0,2,0,0,0,0|1,0,1]=4 3264 B10R0.18 COCCN(C)CC(=O)OC 2230a_100000743101_100000747449 [0,2,0,0,0,0|1,0,1]=4 3265 B10R0.18 COCCN(C)CC(=O)OC 269982a_100000743101_100000747449 [0,2,0,0,0,0|1,0,1]=4 3266 B10R0.26 C=C(C)C(=O)CC(=O)CCC 1458a_100000185857_100000747444 [0,2,0,0,0,0|1,0,1]=4 3267 B10R0.26 C=C(CCC)CC(=O)C(C)C 1458a_100000138376_100000210206 [0,2,0,0,0,0|1,0,1]=4 3268 B10R0.26 C=C(CCC)CC(=O)N(C)C 11a_100102631434_100000138376 [0,2,0,0,0,0|1,0,1]=4 3269 B10R0.26 C=C(CCC)CC(=O)N(C)C 240690a_100102631434_100000138376 [0,2,0,0,0,0|1,0,1]=4 3270 B10R0.26 C=C(CCC)CC(=O)N(C)C 527a_100102631434_100000138376 [0,2,0,0,0,0|1,0,1]=4 3271 B10R0.26 CCCC(=CC(=O)C(C)C)C 1458a_100020676950_100000210206 [0,2,0,0,0,0|1,0,0]=3 3272 B10R0.26 CCCC(=CC(=O)N(C)C)C 11a_100102631434_100020676950 [0,2,0,0,0,0|1,0,0]=3 3273 B10R0.26 CCCC(=CC(=O)N(C)C)C 1626a_100102631434_100020676950 [0,2,0,0,0,0|1,0,0]=3 3274 B10R0.26 CCCC(=CC(=O)N(C)C)C 240690a_100102631434_100020676950 [0,2,0,0,0,0|1,0,0]=3 3275 B10R0.26 CCCC(=O)CC(=O)C(=O)C 1458a_100000211992_100011261029 [0,2,0,0,0,0|1,0,1]=4 3276 B10R0.26 CCCC(=O)CC(=O)C(C)C 1458a_100000210198_100000747444 [0,2,0,0,0,0|1,0,1]=4 3277 B10R0.26 CCCC(=O)CC(=O)C(C)C 1458a_100000211992_100000753385 [0,2,0,0,0,0|1,0,1]=4 3278 B10R0.26 CCCC(=O)CC(=O)C(C)F 1458a_100000062450_100000747444 [0,2,0,0,0,0|1,0,1]=4 3279 B10R0.26 CCCC(=O)CC(=O)N(C)C 1458a_100000211992_100000185267 [0,2,0,0,0,0|1,0,1]=4 3280 B10R0.26 CCCC(=O)CC(=O)[C@@H](C)O 1458a_100000717761_100000747444 [0,2,0,0,0,0|1,0,1]=4 3281 B10R0.26 CCCC(=O)CC(=O)[C@H](C)O 1458a_217856618621_100000747444 [0,2,0,0,0,0|1,0,1]=4 3282 B10R0.29 CCCC(CC(=O)OC)OC 7a_100000065524_200000210301 [0,2,0,0,0,0|0,0,2]=4 3283 B10R0.29 CCCC(CC(=O)OC)O[13CH3] 7a_100000065524_200025704644 [0,2,0,0,0,0|0,0,2]=4 3284 B10R0.29 CCCN(CC)CC(=O)OC 2230a_100000226822_100000747449 [0,2,0,0,0,0|1,0,1]=4 3285 B10R0.29 CCCN(CC)CC(=O)OC 269982a_100000226822_100000747449 [0,2,0,0,0,0|1,0,1]=4 3286 B10R0.29 CNC/C(=C\C(=O)OC)/OC 2230a_106832991635_100016998490 [0,2,0,0,0,0|1,0,0]=3 3287 B10R0.29 CNC/C(=C\C(=O)OC)/OC 34a_100102657272_100016998490 [0,2,0,0,0,0|1,0,0]=3 3288 B10R0.29 COC(=O)/C=C(\CSC)/OC 62a_100016998490_200000210301 [0,2,0,0,0,0|1,0,0]=3 3289 B10R0.29 COC(=O)/C=C(\CSC)/OC 62a_200000210301_100016998490 [0,2,0,0,0,0|1,0,0]=3 3290 B10R0.29 COC(=O)/C=C(\CS[13CH3])/OC 62a_100016998490_200025704644 [0,2,0,0,0,0|1,0,0]=3 3291 B10R0.29 COC(=O)/C=C(\CS[13CH3])/OC 62a_200025704644_100016998490 [0,2,0,0,0,0|1,0,0]=3 3292 B10R0.29 COC/C(=C\C(=O)OC)/OC 34a_100138415774_100016998490 [0,2,0,0,0,0|1,0,0]=3 3293 B10R0.55 C=C(C)CCOCC(=O)OC 34a_100000764851_100000747449 [0,2,0,0,0,0|1,0,1]=4 3294 B10R0.55 C=C(C)CCSCC(=O)OC 62a_100000730704_100000747449 [0,2,0,0,0,0|1,0,1]=4 3295 B10R0.55 C=C(C)CCSCC(=O)OC 62a_100000747449_100000730704 [0,2,0,0,0,0|1,0,1]=4 3296 B10R0.55 CCC(=O)NN=CCC(C)C 4a_100000183195_100000185833 [0,2,0,0,0,0|2,0,0]=4 3297 B10R0.55 COC(=O)/C=C/CNC(C)C 2230a_100138425928_100000742655 [0,2,0,0,0,0|0,0,0]=2 3298 B10R0.55 COC(=O)/C=C/CNC(C)C 34a_100138425928_100000742655 [0,2,0,0,0,0|0,0,0]=2 3299 B10R0.55 COC(=O)/C=C/COC(C)C 34a_100000212225_100000742655 [0,2,0,0,0,0|0,0,0]=2 3300 B10R0.55 COC(=O)/C=C/CSC(C)C 62a_100000210206_100000742655 [0,2,0,0,0,0|0,0,0]=2 3301 B10R0.55 COC(=O)/C=C/CSC(C)C 62a_100000742655_100000210206 [0,2,0,0,0,0|0,0,0]=2 3302 B10R0.55 COC(=O)C=NNCC(C)O 4a_200000730056_200011823558 [0,2,0,0,0,0|1,0,0]=3 3303 B10R0.55 COC(=O)CC=NNC(C)C 4a_100000741168_200011552997 [0,2,0,0,0,0|1,0,1]=4 3304 B10R0.55 COC(=O)CCCCC(=O)C 1458a_100000070787_100000204269 [0,2,0,0,0,0|0,0,2]=4 3305 B10R0.55 COC(=O)CCCCC(=O)C 1458a_100000695723_200000210301 [0,2,0,0,0,0|0,0,2]=4 3306 B10R0.55 COC(=O)CCCCC(=O)[13CH3] 1458a_100000695723_200025704644 [0,2,0,0,0,0|0,0,2]=4 3307 B10R0.55 COC(=O)CCCCN(C)C 2230a_100102631434_100000204269 [0,2,0,0,0,0|0,0,2]=4 3308 B10R0.55 COC(=O)CCCCN(C)C 269982a_100102631434_100000204269 [0,2,0,0,0,0|0,0,2]=4 3309 B10R0.55 COC(=O)CCCNC(C)C 2230a_100138425928_100011218270 [0,2,0,0,0,0|0,0,2]=4 3310 B10R0.55 COC(=O)CCCNC(C)C 34a_100138425928_100000742333 [0,2,0,0,0,0|0,0,2]=4 3311 B10R0.55 COC(=O)CCCOC(C)C 34a_100000212225_100000742333 [0,2,0,0,0,0|0,0,2]=4 3312 B10R0.55 COC(=O)CCCSC(C)C 62a_100000210206_100011218270 [0,2,0,0,0,0|0,0,2]=4 3313 B10R0.55 COC(=O)CCCSC(C)C 62a_100011218270_100000210206 [0,2,0,0,0,0|0,0,2]=4 3314 B10R0.55 COC(=O)CCNCC(C)C 2230a_100000210953_100000204255 [0,2,0,0,0,0|0,0,2]=4 3315 B10R0.55 COC(=O)CCNCC(C)C 34a_100000210953_100000742370 [0,2,0,0,0,0|0,0,2]=4 3316 B10R0.55 COC(=O)CCNCC(C)O 2230a_100000210904_100000204255 [0,2,0,0,0,0|0,0,2]=4 3317 B10R0.55 COC(=O)CCNCC(C)O 34a_100000210904_100000742370 [0,2,0,0,0,0|0,0,2]=4 3318 B10R0.55 COC(=O)CCOCC(C)Br 34a_100012180447_100000742370 [0,2,0,0,0,0|0,0,2]=4 3319 B10R0.55 COC(=O)CCOCC(C)C 34a_100000210257_100000742370 [0,2,0,0,0,0|0,0,2]=4 3320 B10R0.55 COC(=O)CCOCC(C)F 34a_100015925927_100000742370 [0,2,0,0,0,0|0,0,2]=4 3321 B10R0.55 COC(=O)CCOC[C@@H](C)Cl 34a_100016084084_100000742370 [0,2,0,0,0,0|0,0,2]=4 3322 B10R0.55 COC(=O)CCOC[C@@H](C)N 34a_100000737577_100000742370 [0,2,0,0,0,0|0,0,2]=4 3323 B10R0.55 COC(=O)CCSCC(C)C 62a_100000204255_100000210760 [0,2,0,0,0,0|0,0,2]=4 3324 B10R0.55 COC(=O)CCSCC(C)C 62a_100000210624_100000204255 [0,2,0,0,0,0|0,0,2]=4 3325 B10R0.55 COC(=O)CCSCC(C)O 62a_100000204255_100011218427 [0,2,0,0,0,0|0,0,2]=4 3326 B10R0.55 COC(=O)CCSCC(C)O 62a_100011218427_100000204255 [0,2,0,0,0,0|0,0,2]=4 3327 B10R0.55 COC(=O)CCSC[C@@H](C)O 62a_100000204255_100009817552 [0,2,0,0,0,0|0,0,2]=4 3328 B10R0.55 COC(=O)CCSC[C@@H](C)O 62a_100009817552_100000204255 [0,2,0,0,0,0|0,0,2]=4 3329 B10R0.55 COC(=O)CNCCC(C)O 2230a_200000755665_100000747449 [0,2,0,0,0,0|0,0,2]=4 3330 B10R0.55 COC(=O)COCCC(=O)C 1458a_100000070787_100000090808 [0,2,0,0,0,0|1,0,1]=4 3331 B10R0.55 COC(=O)COCCC(=O)C 34a_100000759926_100000747449 [0,2,0,0,0,0|1,0,1]=4 3332 B10R0.55 COC(=O)COCCC(=O)C 7a_100000759926_100000747449 [0,2,0,0,0,0|1,0,1]=4 3333 B10R0.55 COC(=O)COCCC(C)Br 34a_100009893172_100000747449 [0,2,0,0,0,0|0,0,2]=4 3334 B10R0.55 COC(=O)COCCC(C)C 34a_100000210254_100000747449 [0,2,0,0,0,0|0,0,2]=4 3335 B10R0.55 COC(=O)COCCC(C)C 7a_100000210254_100000747449 [0,2,0,0,0,0|0,0,2]=4 3336 B10R0.55 COC(=O)COCCC(F)F 34a_100103093639_100000747449 [0,2,0,0,0,0|1,0,1]=4 3337 B10R0.55 COC(=O)COCCN(C)C 2230a_100102631434_100000090808 [0,2,0,0,0,0|1,0,1]=4 3338 B10R0.55 COC(=O)COCC[C@@H](C)N 34a_100000706166_100000747449 [0,2,0,0,0,0|0,0,2]=4 3339 B10R0.55 COC(=O)CSCCC(=O)C 62a_100000053229_100000747449 [0,2,0,0,0,0|1,0,1]=4 3340 B10R0.55 COC(=O)CSCCC(=O)C 62a_100000747449_100000053229 [0,2,0,0,0,0|1,0,1]=4 3341 B10R0.55 COC(=O)CSCCC(C)C 62a_100000210312_100000747449 [0,2,0,0,0,0|0,0,2]=4 3342 B10R0.55 COC(=O)CSCCC(C)C 62a_100000747449_100000210312 [0,2,0,0,0,0|0,0,2]=4 3343 B10R0.55 COC(=O)CSCCC(C)O 62a_100000747449_100012276601 [0,2,0,0,0,0|0,0,2]=4 3344 B10R0.55 COC(=O)CSCCC(C)O 62a_100012276601_100000747449 [0,2,0,0,0,0|0,0,2]=4 3345 B10R0.55 COC(=O)CSCCN(C)C 62a_100000747449_100000755713 [0,2,0,0,0,0|1,0,1]=4 3346 B10R0.55 COC(=O)CSCOC(C)C 62a_100000709892_100000747449 [0,2,0,0,0,0|1,0,1]=4 3347 B10R0.55 COC(=O)CSCOC(C)C 62a_100000747449_100000709892 [0,2,0,0,0,0|1,0,1]=4 3348 B10R0.55 COC(=O)NCCCC(=O)C 1458a_100000753017_200000210301 [0,2,0,0,0,0|1,0,1]=4 3349 B10R0.55 COC(=O)NCCCC(=O)[13CH3] 1458a_100000753017_200025704644 [0,2,0,0,0,0|1,0,1]=4 3350 B10R0.55 COC(=O)NCCOC(C)C 34a_100000757965_100000210206 [0,2,0,0,0,0|1,0,1]=4 3351 B10R0.55 COC(=O)OCCOC(C)C 34a_100010262106_100000210206 [0,2,0,0,0,0|1,0,1]=4 3352 B10R0.55 COC(=O)OCSCC(C)C 62a_100000210624_100000139417 [0,2,0,0,0,0|1,0,1]=4 3353 B10R0.55 COC(=O)OCSCC(C)O 62a_100011218427_100000139417 [0,2,0,0,0,0|1,0,1]=4 3354 B10R0.55 COC(=O)OCSC[C@@H](C)O 62a_100009817552_100000139417 [0,2,0,0,0,0|1,0,1]=4 3355 B10R0.74 C#CCCCNCC(=O)OC 34a_100000718082_100000747449 [0,2,0,0,0,0|1,0,1]=4 3356 B10R0.74 C#CCCCOCC(=O)OC 34a_100000215630_100000747449 [0,2,0,0,0,0|1,0,1]=4 3357 B10R0.74 C#CCCCOCC(=O)OC 7a_100000215630_100000747449 [0,2,0,0,0,0|1,0,1]=4 3358 B10R0.74 C#CCCCSCC(=O)OC 62a_100000747449_100011215417 [0,2,0,0,0,0|1,0,1]=4 3359 B10R0.74 C#CCCCSCC(=O)OC 62a_100011215417_100000747449 [0,2,0,0,0,0|1,0,1]=4 3360 B10R0.74 C#CCNC/C=C/C(=O)OC 34a_100000212058_100000742655 [0,2,0,0,0,0|0,0,1]=3 3361 B10R0.74 C#CCOC/C=C/C(=O)OC 34a_100000210247_100000742655 [0,2,0,0,0,0|0,0,1]=3 3362 B10R0.74 C#CCSC/C=C/C(=O)OC 62a_100000038162_100000742655 [0,2,0,0,0,0|0,0,1]=3 3363 B10R0.74 C/C=C/CCOCC(=O)OC 34a_100016278192_100000747449 [0,2,0,0,0,0|1,0,1]=4 3364 B10R0.74 C=CCCCNCC(=O)OC 2230a_100000700776_100000747449 [0,2,0,0,0,0|1,0,1]=4 3365 B10R0.74 C=CCCCNCC(=O)OC 34a_100000700776_100000747449 [0,2,0,0,0,0|1,0,1]=4 3366 B10R0.74 C=CCCCOCC(=O)OC 34a_100000758997_100000747449 [0,2,0,0,0,0|1,0,1]=4 3367 B10R0.74 C=CCCCOCC(=O)OC 7a_100000758997_100000747449 [0,2,0,0,0,0|1,0,1]=4 3368 B10R0.74 C=CCCCSCC(=O)OC 62a_100000747449_100000757094 [0,2,0,0,0,0|1,0,1]=4 3369 B10R0.74 C=CCCCSCC(=O)OC 62a_100011713584_100000747449 [0,2,0,0,0,0|1,0,1]=4 3370 B10R0.74 C=CCNC/C=C/C(=O)OC 2230a_100020586998_100000742655 [0,2,0,0,0,0|0,0,1]=3 3371 B10R0.74 C=CCOC/C=C/C(=O)OC 34a_200000210373_100000742655 [0,2,0,0,0,0|0,0,1]=3 3372 B10R0.74 C=CCSC/C=C/C(=O)OC 62a_100000210623_100000742655 [0,2,0,0,0,0|0,0,1]=3 3373 B10R0.74 C=CCSC/C=C/C(=O)OC 62a_100000742655_100000210623 [0,2,0,0,0,0|0,0,1]=3 3374 B10R0.74 CC#CCCOCC(=O)OC 34a_100000750427_100000747449 [0,2,0,0,0,0|1,0,1]=4 3375 B10R0.74 CC/C=C\COCC(=O)OC 34a_100016268518_100000747449 [0,2,0,0,0,0|0,0,2]=4 3376 B10R0.74 CC/C=C\CSCC(=O)OC 62a_100000747449_100103147603 [0,2,0,0,0,0|0,0,2]=4 3377 B10R0.74 CC/C=C\CSCC(=O)OC 62a_100103147603_100000747449 [0,2,0,0,0,0|0,0,2]=4 3378 B10R0.74 CCC#CCOCC(=O)OC 34a_100000032950_100000747449 [0,2,0,0,0,0|1,0,1]=4 3379 B10R0.74 CCC#CCSCC(=O)OC 62a_100000747449_100009813939 [0,2,0,0,0,0|1,0,1]=4 3380 B10R0.74 CCC#CCSCC(=O)OC 62a_100009813939_100000747449 [0,2,0,0,0,0|1,0,1]=4 3381 B10R0.74 CCC(=O)NN=CCCSC 4a_100000183195_100000210997 [0,2,0,0,0,0|2,0,0]=4 3382 B10R0.74 CCC/C=C/C=CC(=O)CC 1458a_200016258893_100000210202 [0,2,0,0,0,0|1,0,0]=3 3383 B10R0.74 CCC/C=C/C=CC(=O)CF 1458a_200016258893_100015361967 [0,2,0,0,0,0|2,0,0]=4 3384 B10R0.74 CCC/C=C/C=CC(=O)NC 11a_106832991635_200016258893 [0,2,0,0,0,0|1,0,0]=3 3385 B10R0.74 CCC/C=C/C=CC(=O)NC 1626a_100102657272_200016258893 [0,2,0,0,0,0|1,0,0]=3 3386 B10R0.74 CCC/C=C/C=CC(=O)NC 240690a_100102657272_200016258893 [0,2,0,0,0,0|1,0,0]=3 3387 B10R0.74 CCC=CC=NNC(=O)CC 4a_100000183195_100011216943 [0,2,0,0,0,0|1,0,1]=4 3388 B10R0.74 CCCC/C=C/CC(=O)CC 1458a_200016282684_100000210202 [0,2,0,0,0,0|1,0,0]=3 3389 B10R0.74 CCCC/C=C/CC(=O)CF 1458a_200016282684_100015361967 [0,2,0,0,0,0|2,0,0]=4 3390 B10R0.74 CCCC/C=C/CC(=O)NC 11a_106832991635_200016282684 [0,2,0,0,0,0|1,0,0]=3 3391 B10R0.74 CCCC/C=C/CC(=O)NC 1626a_100102657272_200016282684 [0,2,0,0,0,0|1,0,0]=3 3392 B10R0.74 CCCC/C=C/CC(=O)NC 240690a_100102657272_200016282684 [0,2,0,0,0,0|1,0,0]=3 3393 B10R0.74 CCCC/C=C/CC(=O)NC 527a_100102657272_200016282684 [0,2,0,0,0,0|1,0,0]=3 3394 B10R0.74 CCCCC=NNC(=O)CC 4a_100000183195_100000210104 [0,2,0,0,0,0|1,0,1]=4 3395 B10R0.74 CCCCCC=CC(=O)CC 1458a_100016263427_100000210202 [0,2,0,0,0,0|1,0,0]=3 3396 B10R0.74 CCCCCC=CC(=O)CF 1458a_100016263427_100015361967 [0,2,0,0,0,0|2,0,0]=4 3397 B10R0.74 CCCCCC=CC(=O)NC 11a_106832991635_100016263427 [0,2,0,0,0,0|1,0,0]=3 3398 B10R0.74 CCCCCC=CC(=O)NC 1626a_100102657272_100016263427 [0,2,0,0,0,0|1,0,0]=3 3399 B10R0.74 CCCCCC=CC(=O)NC 240690a_100102657272_100016263427 [0,2,0,0,0,0|1,0,0]=3 3400 B10R0.74 CCCCCNCC(=O)OC 2230a_100000209983_100000747449 [0,2,0,0,0,0|0,0,2]=4 3401 B10R0.74 CCCCCOCC(=O)OC 34a_100000210253_100000747449 [0,2,0,0,0,0|0,0,2]=4 3402 B10R0.74 CCCCCOCC(=O)OC 7a_100000210253_100000747449 [0,2,0,0,0,0|0,0,2]=4 3403 B10R0.74 CCCCCSCC(=O)OC 62a_100000210326_100000747449 [0,2,0,0,0,0|0,0,2]=4 3404 B10R0.74 CCCCCSCC(=O)OC 62a_100000747449_100000210326 [0,2,0,0,0,0|0,0,2]=4 3405 B10R0.74 CCCCNCCC(=O)OC 2230a_100000102301_100000204255 [0,2,0,0,0,0|0,0,2]=4 3406 B10R0.74 CCCCNCCC(=O)OC 7a_106832991798_100000204255 [0,2,0,0,0,0|0,0,2]=4 3407 B10R0.74 CCCCNN=CC(=O)OC 4a_100025702795_200011823558 [0,2,0,0,0,0|0,0,1]=3 3408 B10R0.74 CCCCOCCC(=O)OC 34a_100000210227_100000742370 [0,2,0,0,0,0|0,0,2]=4 3409 B10R0.74 CCCCOCCC(=O)OC 7a_100000210227_100000204255 [0,2,0,0,0,0|0,0,2]=4 3410 B10R0.74 CCCCSCCC(=O)OC 62a_100000204255_100000210210 [0,2,0,0,0,0|0,0,2]=4 3411 B10R0.74 CCCCSCCC(=O)OC 62a_100000210211_100000204255 [0,2,0,0,0,0|0,0,2]=4 3412 B10R0.74 CCCCSCOC(=O)OC 62a_100000210211_100000139417 [0,2,0,0,0,0|0,0,2]=4 3413 B10R0.74 CCCNN=CCC(=O)OC 4a_100000740057_200011552997 [0,2,0,0,0,0|0,0,1]=3 3414 B10R0.74 CCCOC/C=C/C(=O)OC 34a_100000210258_100000742655 [0,2,0,0,0,0|0,0,0]=2 3415 B10R0.74 CCCOCCCC(=O)OC 34a_100000210258_100000742333 [0,2,0,0,0,0|0,0,2]=4 3416 B10R0.74 CCCOCCNC(=O)OC 34a_100000757965_100000210303 [0,2,0,0,0,0|0,0,2]=4 3417 B10R0.74 CCCOCCOC(=O)OC 34a_100010262106_100000210303 [0,2,0,0,0,0|0,0,2]=4 3418 B10R0.74 CCCSC/C=C/C(=O)OC 62a_100000210303_100000742655 [0,2,0,0,0,0|0,0,0]=2 3419 B10R0.74 CCCSC/C=C/C(=O)OC 62a_100000742655_100000210303 [0,2,0,0,0,0|0,0,0]=2 3420 B10R0.74 CCCSCCCC(=O)OC 62a_100000210303_100011218270 [0,2,0,0,0,0|0,0,2]=4 3421 B10R0.74 CCCSCCCC(=O)OC 62a_100011218270_100000210303 [0,2,0,0,0,0|0,0,2]=4 3422 B10R0.74 CCNCCCCC(=O)OC 2230a_100015525214_100000204269 [0,2,0,0,0,0|0,0,2]=4 3423 B10R0.74 CCNCCOCC(=O)OC 2230a_100015525214_100000090808 [0,2,0,0,0,0|0,0,2]=4 3424 B10R0.74 CCNN=CC=CC(=O)OC 4a_100000756455_100016254430 [0,2,0,0,0,0|0,0,1]=3 3425 B10R0.74 CCNN=CCCC(=O)OC 4a_100000756455_100012047195 [0,2,0,0,0,0|1,0,1]=4 3426 B10R0.74 CCOCCCCC(=O)OC 34a_100000059025_100000210202 [0,2,0,0,0,0|0,0,2]=4 3427 B10R0.74 CCOCCCCC(=O)OC 34a_100121572206_100000204269 [0,2,0,0,0,0|0,0,2]=4 3428 B10R0.74 CCOCCCCC(=O)OC 7a_100000059025_100000210202 [0,2,0,0,0,0|0,0,2]=4 3429 B10R0.74 CCOCCNCC(=O)OC 2230a_102516460346_100000747449 [0,2,0,0,0,0|0,0,2]=4 3430 B10R0.74 CCOCCNCC(=O)OC 34a_102516460346_100000747449 [0,2,0,0,0,0|0,0,2]=4 3431 B10R0.74 CCOCCOCC(=O)OC 34a_100000210136_100000747449 [0,2,0,0,0,0|0,0,2]=4 3432 B10R0.74 CCOCCOCC(=O)OC 34a_100121572206_100000090808 [0,2,0,0,0,0|0,0,2]=4 3433 B10R0.74 CCOCCOCC(=O)OC 7a_100000210136_100000747449 [0,2,0,0,0,0|0,0,2]=4 3434 B10R0.74 CCOCCSCC(=O)OC 62a_100000210147_100000747449 [0,2,0,0,0,0|0,0,2]=4 3435 B10R0.74 CCOCCSCC(=O)OC 62a_100000747449_100011215890 [0,2,0,0,0,0|0,0,2]=4 3436 B10R0.74 CCOCSCCC(=O)OC 62a_100000204255_100000739092 [0,2,0,0,0,0|0,0,2]=4 3437 B10R0.74 CCOCSCCC(=O)OC 62a_100000739092_100000204255 [0,2,0,0,0,0|0,0,2]=4 3438 B10R0.74 CCOCSCOC(=O)OC 62a_100000739092_100000139417 [0,2,0,0,0,0|1,0,1]=4 3439 B10R0.74 CCSCCCCC(=O)OC 62a_100000204269_100000210202 [0,2,0,0,0,0|0,0,2]=4 3440 B10R0.74 CCSCCCCC(=O)OC 62a_100000210202_100000204269 [0,2,0,0,0,0|0,0,2]=4 3441 B10R0.74 CCSCCNCC(=O)OC 2230a_100000106463_100000747449 [0,2,0,0,0,0|0,0,2]=4 3442 B10R0.74 CCSCCOCC(=O)OC 34a_100000212035_100000747449 [0,2,0,0,0,0|0,0,2]=4 3443 B10R0.74 CCSCCOCC(=O)OC 62a_100000090808_100000210202 [0,2,0,0,0,0|0,0,2]=4 3444 B10R0.74 CCSCCOCC(=O)OC 62a_100000210202_100000090808 [0,2,0,0,0,0|0,0,2]=4 3445 B10R0.74 CCSCCOCC(=O)OC 7a_100000212035_100000747449 [0,2,0,0,0,0|0,0,2]=4 3446 B10R0.74 CCSCCSCC(=O)OC 62a_100000747449_100000757381 [0,2,0,0,0,0|0,0,2]=4 3447 B10R0.74 CCSCCSCC(=O)OC 62a_100000757381_100000747449 [0,2,0,0,0,0|0,0,2]=4 3448 B10R0.74 CNCCCCCC(=O)OC 2230a_106832991635_100009816466 [0,2,0,0,0,0|0,0,2]=4 3449 B10R0.74 CNCCCCCC(=O)OC 34a_100102657272_100009816466 [0,2,0,0,0,0|0,0,2]=4 3450 B10R0.74 CNCCCCCC(=O)OC 7a_106832991635_100009816466 [0,2,0,0,0,0|0,0,2]=4 3451 B10R0.74 CNCCCOCC(=O)OC 34a_100000213112_100000747449 [0,2,0,0,0,0|0,0,2]=4 3452 B10R0.74 COC(=O)/C=C/CNCCF 34a_100000724931_100000742655 [0,2,0,0,0,0|0,0,0]=2 3453 B10R0.74 COC(=O)/C=C/CNCCO 2230a_100016997473_100000742655 [0,2,0,0,0,0|0,0,0]=2 3454 B10R0.74 COC(=O)/C=C/CNCCO 34a_100016990907_100000742655 [0,2,0,0,0,0|0,0,0]=2 3455 B10R0.74 COC(=O)/C=C/COCCBr 34a_100000211926_100000742655 [0,2,0,0,0,0|0,0,0]=2 3456 B10R0.74 COC(=O)/C=C/COCCN 34a_100000210304_100000742655 [0,2,0,0,0,0|0,0,0]=2 3457 B10R0.74 COC(=O)/C=C/CSCC#N 62a_100000742655_100011215382 [0,2,0,0,0,0|0,0,1]=3 3458 B10R0.74 COC(=O)/C=C/CSCC#N 62a_100011215382_100000742655 [0,2,0,0,0,0|0,0,1]=3 3459 B10R0.74 COC(=O)/C=C/CSCC=O 62a_100000742655_200015260668 [0,2,0,0,0,0|0,0,1]=3 3460 B10R0.74 COC(=O)/C=C/CSCC=O 62a_200015260668_100000742655 [0,2,0,0,0,0|0,0,1]=3 3461 B10R0.74 COC(=O)/C=C/CSCCF 62a_100000742655_100011217306 [0,2,0,0,0,0|0,0,0]=2 3462 B10R0.74 COC(=O)/C=C/CSCCF 62a_100011217306_100000742655 [0,2,0,0,0,0|0,0,0]=2 3463 B10R0.74 COC(=O)/C=C/CSCCO 62a_100000211926_100000742655 [0,2,0,0,0,0|0,0,0]=2 3464 B10R0.74 COC(=O)/C=C/CSCCO 62a_100000742655_100000211926 [0,2,0,0,0,0|0,0,0]=2 3465 B10R0.74 COC(=O)/C=C/CSCSC 62a_100000742655_100011218213 [0,2,0,0,0,0|0,0,0]=2 3466 B10R0.74 COC(=O)/C=C/CSCSC 62a_100011218213_100000742655 [0,2,0,0,0,0|0,0,0]=2 3467 B10R0.74 COC(=O)C=NNCCC#N 4a_100000229987_200011823558 [0,2,0,0,0,0|1,0,1]=4 3468 B10R0.74 COC(=O)CC=NNCCO 4a_100000210001_200011552997 [0,2,0,0,0,0|1,0,1]=4 3469 B10R0.74 COC(=O)CCCCCO[13CH3] 34a_100000074720_200025704644 [0,2,0,0,0,0|0,0,2]=4 3470 B10R0.74 COC(=O)CCCCCO[13CH3] 7a_100000074720_200025704644 [0,2,0,0,0,0|0,0,2]=4 3471 B10R0.74 COC(=O)CCCCCSC 62a_100009816466_200000210301 [0,2,0,0,0,0|0,0,2]=4 3472 B10R0.74 COC(=O)CCCCCSC 62a_200000210301_100009816466 [0,2,0,0,0,0|0,0,2]=4 3473 B10R0.74 COC(=O)CCCCCS[13CH3] 62a_100009816466_200025704644 [0,2,0,0,0,0|0,0,2]=4 3474 B10R0.74 COC(=O)CCCCCS[13CH3] 62a_200025704644_100009816466 [0,2,0,0,0,0|0,0,2]=4 3475 B10R0.74 COC(=O)CCCCOCF 34a_100000059025_100015361967 [0,2,0,0,0,0|0,0,2]=4 3476 B10R0.74 COC(=O)CCCCOCF 7a_100000059025_100015361967 [0,2,0,0,0,0|0,0,2]=4 3477 B10R0.74 COC(=O)CCCCSCF 62a_100000204269_100015361967 [0,2,0,0,0,0|0,0,2]=4 3478 B10R0.74 COC(=O)CCCCSCF 62a_100015361967_100000204269 [0,2,0,0,0,0|0,0,2]=4 3479 B10R0.74 COC(=O)CCCNCCF 34a_100000724931_100000742333 [0,2,0,0,0,0|0,0,2]=4 3480 B10R0.74 COC(=O)CCCNCCO 2230a_100016997473_100011218270 [0,2,0,0,0,0|0,0,2]=4 3481 B10R0.74 COC(=O)CCCNCCO 34a_100016990907_100000742333 [0,2,0,0,0,0|0,0,2]=4 3482 B10R0.74 COC(=O)CCCOCCBr 34a_100000211926_100000742333 [0,2,0,0,0,0|0,0,2]=4 3483 B10R0.74 COC(=O)CCCOCCN 34a_100000210304_100000742333 [0,2,0,0,0,0|0,0,2]=4 3484 B10R0.74 COC(=O)CCCSCCF 62a_100011217306_100011218270 [0,2,0,0,0,0|0,0,2]=4 3485 B10R0.74 COC(=O)CCCSCCF 62a_100011218270_100011217306 [0,2,0,0,0,0|0,0,2]=4 3486 B10R0.74 COC(=O)CCCSCCO 62a_100000211926_100011218270 [0,2,0,0,0,0|0,0,2]=4 3487 B10R0.74 COC(=O)CCCSCCO 62a_100011218270_100000211926 [0,2,0,0,0,0|0,0,2]=4 3488 B10R0.74 COC(=O)CCCSCSC 62a_100011218213_100011218270 [0,2,0,0,0,0|0,0,2]=4 3489 B10R0.74 COC(=O)CCCSCSC 62a_100011218270_100011218213 [0,2,0,0,0,0|0,0,2]=4 3490 B10R0.74 COC(=O)CCNCCCF 2230a_100015189416_100000204255 [0,2,0,0,0,0|0,0,2]=4 3491 B10R0.74 COC(=O)CCNCCCF 34a_100015189416_100000742370 [0,2,0,0,0,0|0,0,2]=4 3492 B10R0.74 COC(=O)CCNCCSC 2230a_100020590264_100000204255 [0,2,0,0,0,0|0,0,2]=4 3493 B10R0.74 COC(=O)CCOCCCBr 34a_100011217188_100000742370 [0,2,0,0,0,0|0,0,2]=4 3494 B10R0.74 COC(=O)CCOCCCCl 34a_100000230001_100000742370 [0,2,0,0,0,0|0,0,2]=4 3495 B10R0.74 COC(=O)CCOCCCF 34a_100000759539_100000742370 [0,2,0,0,0,0|0,0,2]=4 3496 B10R0.74 COC(=O)CCOCCCN 34a_100000182051_100000742370 [0,2,0,0,0,0|0,0,2]=4 3497 B10R0.74 COC(=O)CCOCCSC 34a_100000230434_100000742370 [0,2,0,0,0,0|0,0,2]=4 3498 B10R0.74 COC(=O)CCOCCSC 7a_100000230434_100000204255 [0,2,0,0,0,0|0,0,2]=4 3499 B10R0.74 COC(=O)CCSCCCF 62a_100000204255_100011934791 [0,2,0,0,0,0|0,0,2]=4 3500 B10R0.74 COC(=O)CCSCCCF 62a_100011934791_100000204255 [0,2,0,0,0,0|0,0,2]=4 3501 B10R0.74 COC(=O)CCSCCCO 62a_100000204255_100011215043 [0,2,0,0,0,0|0,0,2]=4 3502 B10R0.74 COC(=O)CCSCCCO 62a_100011215043_100000204255 [0,2,0,0,0,0|0,0,2]=4 3503 B10R0.74 COC(=O)CCSCCSC 62a_100000204255_100000751147 [0,2,0,0,0,0|0,0,2]=4 3504 B10R0.74 COC(=O)CCSCCSC 62a_100000212216_100000204255 [0,2,0,0,0,0|0,0,2]=4 3505 B10R0.74 COC(=O)CNCCCCO 2230a_100000750430_100000747449 [0,2,0,0,0,0|0,0,2]=4 3506 B10R0.74 COC(=O)CNCCCCO 34a_100000750430_100000747449 [0,2,0,0,0,0|0,0,2]=4 3507 B10R0.74 COC(=O)CNCCCSC 2230a_100000749238_100000747449 [0,2,0,0,0,0|0,0,2]=4 3508 B10R0.74 COC(=O)COCCCCBr 34a_100011216708_100000747449 [0,2,0,0,0,0|0,0,2]=4 3509 B10R0.74 COC(=O)COCCCCCl 34a_100000210776_100000747449 [0,2,0,0,0,0|0,0,2]=4 3510 B10R0.74 COC(=O)COCCCCCl 7a_100000210776_100000747449 [0,2,0,0,0,0|0,0,2]=4 3511 B10R0.74 COC(=O)COCCCCF 34a_100011995726_100000747449 [0,2,0,0,0,0|0,0,2]=4 3512 B10R0.74 COC(=O)COCCCCF 7a_100011995726_100000747449 [0,2,0,0,0,0|0,0,2]=4 3513 B10R0.74 COC(=O)COCCCCI 34a_200012148704_100000747449 [0,2,0,0,0,0|0,0,2]=4 3514 B10R0.74 COC(=O)COCCCCN 34a_100000750430_100000747449 [0,2,0,0,0,0|0,0,2]=4 3515 B10R0.74 COC(=O)COCCCSC 34a_100000690336_100000747449 [0,2,0,0,0,0|0,0,2]=4 3516 B10R0.74 COC(=O)COCCCSC 7a_100000690336_100000747449 [0,2,0,0,0,0|0,0,2]=4 3517 B10R0.74 COC(=O)COCCSCF 62a_100000090808_100015361967 [0,2,0,0,0,0|1,0,1]=4 3518 B10R0.74 COC(=O)COCCSCF 62a_100015361967_100000090808 [0,2,0,0,0,0|1,0,1]=4 3519 B10R0.74 COC(=O)CSCCCC#N 62a_100000687738_100000747449 [0,2,0,0,0,0|1,0,1]=4 3520 B10R0.74 COC(=O)CSCCCC#N 62a_100000747449_100000687738 [0,2,0,0,0,0|1,0,1]=4 3521 B10R0.74 COC(=O)CSCCCC=O 62a_100000747449_200011292268 [0,2,0,0,0,0|1,0,1]=4 3522 B10R0.74 COC(=O)CSCCCC=O 62a_200011292268_100000747449 [0,2,0,0,0,0|1,0,1]=4 3523 B10R0.74 COC(=O)CSCCCCF 62a_100000729493_100000747449 [0,2,0,0,0,0|0,0,2]=4 3524 B10R0.74 COC(=O)CSCCCCF 62a_100000747449_100000729493 [0,2,0,0,0,0|0,0,2]=4 3525 B10R0.74 COC(=O)CSCCCCO 62a_100000210776_100000747449 [0,2,0,0,0,0|0,0,2]=4 3526 B10R0.74 COC(=O)CSCCCCO 62a_100000747449_100000210776 [0,2,0,0,0,0|0,0,2]=4 3527 B10R0.74 COC(=O)NCCOCCF 34a_100000757965_100011217306 [0,2,0,0,0,0|1,0,1]=4 3528 B10R0.74 COC(=O)NCCOCCO 34a_100000757965_100000211926 [0,2,0,0,0,0|1,0,1]=4 3529 B10R0.74 COC(=O)NCCOCSC 34a_100000757965_100011218213 [0,2,0,0,0,0|1,0,1]=4 3530 B10R0.74 COC(=O)OCCOCCF 34a_100010262106_100011217306 [0,2,0,0,0,0|1,0,1]=4 3531 B10R0.74 COC(=O)OCCOCCO 34a_100010262106_100000211926 [0,2,0,0,0,0|1,0,1]=4 3532 B10R0.74 COC(=O)OCCOCSC 34a_100010262106_100011218213 [0,2,0,0,0,0|1,0,1]=4 3533 B10R0.74 COC(=O)OCSCCCF 62a_100011934791_100000139417 [0,2,0,0,0,0|1,0,1]=4 3534 B10R0.74 COC(=O)OCSCCCO 62a_100011215043_100000139417 [0,2,0,0,0,0|1,0,1]=4 3535 B10R0.74 COC(=O)OCSCCSC 62a_100000212216_100000139417 [0,2,0,0,0,0|1,0,1]=4 3536 B10R0.74 COCCCCCC(=O)OC 34a_100000074720_200000210301 [0,2,0,0,0,0|0,0,2]=4 3537 B10R0.74 COCCCCCC(=O)OC 34a_100138415774_100009816466 [0,2,0,0,0,0|0,0,2]=4 3538 B10R0.74 COCCCCCC(=O)OC 7a_100000074720_200000210301 [0,2,0,0,0,0|0,0,2]=4 3539 B10R0.74 COCCCNCC(=O)OC 34a_100150723488_100000747449 [0,2,0,0,0,0|0,0,2]=4 3540 B10R0.74 COCCCOCC(=O)OC 34a_100000740835_100000747449 [0,2,0,0,0,0|0,0,2]=4 3541 B10R0.74 COCCCSCC(=O)OC 62a_100000709357_100000747449 [0,2,0,0,0,0|0,0,2]=4 3542 B10R0.74 COCCCSCC(=O)OC 62a_100000747449_100000709357 [0,2,0,0,0,0|0,0,2]=4 3543 B10R0.74 COCCNCCC(=O)OC 2230a_100000209980_100000204255 [0,2,0,0,0,0|0,0,2]=4 3544 B10R0.74 COCCOCCC(=O)OC 34a_100000210237_100000742370 [0,2,0,0,0,0|0,0,2]=4 3545 B10R0.74 COCCSCCC(=O)OC 62a_100000204255_100000233755 [0,2,0,0,0,0|0,0,2]=4 3546 B10R0.74 COCCSCCC(=O)OC 62a_100000233755_100000204255 [0,2,0,0,0,0|0,0,2]=4 3547 B10R0.74 COCCSCOC(=O)OC 62a_100000233755_100000139417 [0,2,0,0,0,0|1,0,1]=4 3548 B10R0.74 COCSC/C=C/C(=O)OC 62a_100000742655_100000766300 [0,2,0,0,0,0|0,0,0]=2 3549 B10R0.74 COCSC/C=C/C(=O)OC 62a_100000766300_100000742655 [0,2,0,0,0,0|0,0,0]=2 3550 B10R0.74 COCSCCCC(=O)OC 62a_100000766300_100011218270 [0,2,0,0,0,0|0,0,2]=4 3551 B10R0.74 COCSCCCC(=O)OC 62a_100011218270_100000766300 [0,2,0,0,0,0|0,0,2]=4 3552 B10R0.75 CCC/C=C/CC(=O)C(C)C 1458a_200016266809_100000210206 [0,2,0,0,0,0|1,0,0]=3 3553 B10R0.75 CCC/C=C/CC(=O)N(C)C 11a_100102631434_200016266809 [0,2,0,0,0,0|1,0,0]=3 3554 B10R0.75 CCC/C=C/CC(=O)N(C)C 1626a_100102631434_200016266809 [0,2,0,0,0,0|1,0,0]=3 3555 B10R0.75 CCC/C=C/CC(=O)N(C)C 240690a_100102631434_200016266809 [0,2,0,0,0,0|1,0,0]=3 3556 B10R0.75 CCC/C=C/CC(=O)N(C)C 527a_100102631434_200016266809 [0,2,0,0,0,0|1,0,0]=3 3557 B10R0.75 CCCC=NNC(=O)C(C)C 4a_100000184118_100000185831 [0,2,0,0,0,0|2,0,0]=4 3558 B10R0.75 CCCCC=CC(=O)C(C)C 1458a_100016266645_100000210206 [0,2,0,0,0,0|1,0,0]=3 3559 B10R0.75 CCCCC=CC(=O)N(C)C 11a_100102631434_100016266645 [0,2,0,0,0,0|1,0,0]=3 3560 B10R0.75 CCCCC=CC(=O)N(C)C 1626a_100102631434_100016266645 [0,2,0,0,0,0|1,0,0]=3 3561 B10R0.75 CCCCC=CC(=O)N(C)C 240690a_100102631434_100016266645 [0,2,0,0,0,0|1,0,0]=3 3562 B10R0.5 CCCC=CC(=O)C(F)(F)F 1458a_100000212230_200000243211 [0,2,0,0,0,0|2,0,0]=4 3563 B8R1.2 CNC1C=CCCC1 2230a_106832991635_100000751183 [1,0,0,1,0,0|1,0,1]=4 3564 B8R1.2 CNC1C=CCCC1 7a_106832991635_100000751183 [1,0,0,1,0,0|1,0,1]=4 3565 B8R1.2 COC1C=CCCC1 34a_100011215024_200000210301 [1,0,0,1,0,0|0,0,1]=3 3566 B8R1.2 CSC1C=CCCC1 62a_100000751183_200000210301 [1,0,0,1,0,0|0,1,1]=4 3567 B8R1.2 CSC1C=CCCC1 62a_200000210301_100000751183 [1,0,0,1,0,0|0,1,1]=4 3568 B8R1.2 [13CH3]OC1C=CCCC1 34a_100011215024_200025704644 [1,0,0,1,0,0|0,0,1]=3 3569 B8R1.2 [13CH3]SC1C=CCCC1 62a_100000751183_200025704644 [1,0,0,1,0,0|0,1,1]=4 3570 B8R1.2 [13CH3]SC1C=CCCC1 62a_200025704644_100000751183 [1,0,0,1,0,0|0,1,1]=4 3571 B8R1.8 CCSc1ccoc1 62a_100000210202_100011215275 [1,0,0,1,0,0|1,0,1]=4 3572 B8R1.8 CCSc1ccoc1 62a_100011215275_100000210202 [1,0,0,1,0,0|1,0,1]=4 3573 B8R1.8 CCSc1ccon1 62a_100000210202_100009818083 [1,0,0,1,0,0|2,0,0]=4 3574 B8R1.8 CCSc1ccon1 62a_100009818083_100000210202 [1,0,0,1,0,0|2,0,0]=4 3575 B8R1.8 CNCc1ccoc1 207a_100102657272_100011215517 [1,0,0,1,0,0|1,0,1]=4 3576 B8R1.8 CNCc1ccoc1 2230a_100015206860_200000210301 [1,0,0,1,0,0|1,0,1]=4 3577 B8R1.8 CNCc1ccoc1 270004a_106832991635_100011215517 [1,0,0,1,0,0|1,0,1]=4 3578 B8R1.8 CNCc1ccoc1 34a_100015206860_200000210301 [1,0,0,1,0,0|1,0,1]=4 3579 B8R1.8 CNCc1ccon1 2230a_106832991635_100000234950 [1,0,0,1,0,0|2,0,0]=4 3580 B8R1.8 CNCc1ccon1 34a_100102657272_100000234950 [1,0,0,1,0,0|2,0,0]=4 3581 B8R1.8 CNCc1ccon1 7a_106832991635_100000234950 [1,0,0,1,0,0|2,0,0]=4 3582 B8R1.8 COCc1ccoc1 34a_100011215357_200000210301 [1,0,0,1,0,0|1,0,1]=4 3583 B8R1.8 COCc1ccon1 34a_100138415774_100000234950 [1,0,0,1,0,0|2,0,0]=4 3584 B8R1.8 CSCc1ccon1 62a_100000234950_200000210301 [1,0,0,1,0,0|2,0,0]=4 3585 B8R1.8 CSCc1ccon1 62a_200000210301_100000234950 [1,0,0,1,0,0|2,0,0]=4 3586 B8R1.8 [13CH3]NCc1ccoc1 2230a_100015206860_200025704644 [1,0,0,1,0,0|1,0,1]=4 3587 B8R1.8 [13CH3]NCc1ccoc1 34a_100015206860_200025704644 [1,0,0,1,0,0|1,0,1]=4 3588 B8R1.8 [13CH3]OCc1ccoc1 34a_100011215357_200025704644 [1,0,0,1,0,0|1,0,1]=4 3589 B8R1.8 [13CH3]SCc1ccon1 62a_100000234950_200025704644 [1,0,0,1,0,0|2,0,0]=4 3590 B8R1.8 [13CH3]SCc1ccon1 62a_200025704644_100000234950 [1,0,0,1,0,0|2,0,0]=4 3591 B8R1.11 CCC1C=CCN1C 2230a_100000730860_200000210301 [1,0,0,1,0,0|1,0,1]=4 3592 B8R1.11 CCC1C=CCN1C 269982a_100000730860_200000210301 [1,0,0,1,0,0|1,0,1]=4 3593 B8R1.11 CCC1C=CCN1C 34a_100000730860_200000210301 [1,0,0,1,0,0|1,0,1]=4 3594 B8R1.11 CCC1C=CCN1[13CH3] 2230a_100000730860_200025704644 [1,0,0,1,0,0|1,0,1]=4 3595 B8R1.11 CCC1C=CCN1[13CH3] 269982a_100000730860_200025704644 [1,0,0,1,0,0|1,0,1]=4 3596 B8R1.11 CCC1C=CCN1[13CH3] 34a_100000730860_200025704644 [1,0,0,1,0,0|1,0,1]=4 3597 B8R1.11 COc1ccnn1C 34a_100020632926_200000210301 [1,0,0,1,0,0|2,0,0]=4 3598 B8R1.11 Cn1nccc1O[13CH3] 34a_100020632926_200025704644 [1,0,0,1,0,0|2,0,0]=4 3599 B8R1.1 CNC1COC(=O)O1 34a_100102657272_100000032252 [1,0,0,1,0,0|2,0,0]=4 3600 B8R1.1 COC1COC(=O)O1 34a_100138415774_100000032252 [1,0,0,1,0,0|2,0,0]=4 3601 B8R1.1 COc1ccn(n1)C 34a_100012642153_200000210301 [1,0,0,1,0,0|2,0,0]=4 3602 B8R1.1 CSC1COC(=O)O1 62a_200000210301_100000032252 [1,0,0,1,0,0|2,0,0]=4 3603 B8R1.1 Cn1ccc(n1)O[13CH3] 34a_100012642153_200025704644 [1,0,0,1,0,0|2,0,0]=4 3604 B8R1.1 [13CH3]SC1COC(=O)O1 62a_200025704644_100000032252 [1,0,0,1,0,0|2,0,0]=4 3605 B8R1.38 CCC(=O)C1CCC1 1458a_100000209988_100000210202 [1,0,0,1,0,0|1,0,1]=4 3606 B8R1.38 CCC(=O)C1CCC1 1458a_100000210414_100000749161 [1,0,0,1,0,0|1,0,1]=4 3607 B8R1.38 CCC(=O)N1CCC1 11a_100000754969_100000210414 [1,0,0,1,0,0|2,0,0]=4 3608 B8R1.38 CCC(=O)N1CCC1 240690a_100000754969_100000210414 [1,0,0,1,0,0|2,0,0]=4 3609 B8R1.38 CCC(=O)N1CCC1 527a_100000754969_100000210414 [1,0,0,1,0,0|2,0,0]=4 3610 B8R1.38 CNC(=O)C1CCC1 11a_106832991635_100000209988 [1,0,0,1,0,0|1,0,1]=4 3611 B8R1.38 CNC(=O)C1CCC1 1626a_100102657272_100000209988 [1,0,0,1,0,0|1,0,1]=4 3612 B8R1.38 CNC(=O)C1CCC1 240690a_100102657272_100000209988 [1,0,0,1,0,0|1,0,1]=4 3613 B8R1.38 CNC(=O)C1CCC1 527a_100102657272_100000209988 [1,0,0,1,0,0|1,0,1]=4 3614 B8R1.38 CNC(=O)N1CCC1 2708a_100102657272_100000754969 [1,0,0,1,0,0|2,0,0]=4 3615 B8R1.38 CNC(=O)N1CCC1 273464a_100102657272_100000754969 [1,0,0,1,0,0|2,0,0]=4 3616 B8R1.40 CCC(=O)CC1CC1 1458a_100000210414_100000742324 [1,0,0,1,0,0|1,0,1]=4 3617 B8R1.40 CCC(=O)CC1CC1 1458a_100000738066_100000210202 [1,0,0,1,0,0|1,0,1]=4 3618 B8R1.40 CCC(=O)NC1CC1 1626a_100000212008_100000210414 [1,0,0,1,0,0|2,0,0]=4 3619 B8R1.40 CCC(=O)NC1CC1 240690a_100000212008_100000210414 [1,0,0,1,0,0|2,0,0]=4 3620 B8R1.40 CCC(=O)NC1CC1 527a_100000212008_100000210414 [1,0,0,1,0,0|2,0,0]=4 3621 B8R1.40 CNC(=O)CC1CC1 11a_106832991635_100000738066 [1,0,0,1,0,0|1,0,1]=4 3622 B8R1.40 CNC(=O)CC1CC1 1626a_100102657272_100000738066 [1,0,0,1,0,0|1,0,1]=4 3623 B8R1.40 CNC(=O)CC1CC1 240690a_100102657272_100000738066 [1,0,0,1,0,0|1,0,1]=4 3624 B8R1.40 CNC(=O)CC1CC1 527a_100102657272_100000738066 [1,0,0,1,0,0|1,0,1]=4 3625 B8R1.40 CNC(=O)NC1CC1 2708a_100000212008_106832991635 [1,0,0,1,0,0|2,0,0]=4 3626 B8R1.40 CNC(=O)NC1CC1 2708a_100102657272_100000212008 [1,0,0,1,0,0|2,0,0]=4 3627 B8R1.40 CNC(=O)NC1CC1 273464a_100000212008_100102657272 [1,0,0,1,0,0|2,0,0]=4 3628 B8R1.40 CNC(=O)NC1CC1 273464a_100102657272_100000212008 [1,0,0,1,0,0|2,0,0]=4 3629 B8R1.40 CNC(=O)NC1CC1 512a_100000212008_100102657272 [1,0,0,1,0,0|2,0,0]=4 3630 B8R1.83 CCC(=O)C1CC1C 1458a_100000211227_100000210202 [1,0,0,1,0,0|1,0,1]=4 3631 B8R1.83 CNC(=O)C1CC1C 11a_106832991635_100000211227 [1,0,0,1,0,0|1,0,1]=4 3632 B8R1.83 CNC(=O)C1CC1C 1626a_100102657272_100000211227 [1,0,0,1,0,0|1,0,1]=4 3633 B8R1.83 CNC(=O)C1CC1C 527a_100102657272_100000211227 [1,0,0,1,0,0|1,0,1]=4 3634 B8R1.83 COC(=O)C1CN1C 2230a_200009830135_200000210301 [1,0,0,1,0,0|1,0,1]=4 3635 B8R1.83 COC(=O)C1CN1[13CH3] 2230a_200009830135_200025704644 [1,0,0,1,0,0|1,0,1]=4 3636 B8R1.7 CC(=O)C1=CCCC1 1458a_100000038896_200000210301 [1,0,0,1,0,0|0,0,0]=2 3637 B8R1.7 CC(=O)C1=CCOC1 1458a_100000139269_200000210301 [1,0,0,1,0,0|1,0,0]=3 3638 B8R1.7 CC(=O)C1=COCC1 1458a_100000750620_200000210301 [1,0,0,1,0,0|1,0,0]=3 3639 B8R1.7 CC(=O)C1CCCC1 1458a_100000070787_100000179811 [1,0,0,1,0,0|0,0,2]=4 3640 B8R1.7 CC(=O)C1CCCC1 1458a_100000210718_200000210301 [1,0,0,1,0,0|0,0,2]=4 3641 B8R1.7 CC(=O)C1CCCS1 1458a_100012002731_200000210301 [1,0,0,1,0,0|1,0,1]=4 3642 B8R1.7 CC(=O)N1CCCC1 240690a_100000188435_100015343762 [1,0,0,1,0,0|1,0,1]=4 3643 B8R1.7 CC(=O)N1CCCC1 527a_100000188435_100103153847 [1,0,0,1,0,0|1,0,1]=4 3644 B8R1.7 CC(=O)[C@@H]1CCCO1 1458a_100000686382_200000210301 [1,0,0,1,0,0|1,0,1]=4 3645 B8R1.7 [13CH3]C(=O)C1=CCCC1 1458a_100000038896_200025704644 [1,0,0,1,0,0|0,0,0]=2 3646 B8R1.7 [13CH3]C(=O)C1=CCOC1 1458a_100000139269_200025704644 [1,0,0,1,0,0|1,0,0]=3 3647 B8R1.7 [13CH3]C(=O)C1=COCC1 1458a_100000750620_200025704644 [1,0,0,1,0,0|1,0,0]=3 3648 B8R1.7 [13CH3]C(=O)C1CCCC1 1458a_100000210718_200025704644 [1,0,0,1,0,0|0,0,2]=4 3649 B8R1.7 [13CH3]C(=O)C1CCCS1 1458a_100012002731_200025704644 [1,0,0,1,0,0|1,0,1]=4 3650 B8R1.7 [13CH3]C(=O)[C@@H]1CCCO1 1458a_100000686382_200025704644 [1,0,0,1,0,0|1,0,1]=4 3651 B8R1.31 CC(=O)N1CCC1C 11a_100000755817_100015343762 [1,0,0,1,0,0|1,0,1]=4 3652 B8R1.31 CC(=O)N1CCC1C 240690a_100000755817_100015343762 [1,0,0,1,0,0|1,0,1]=4 3653 B8R1.31 CC(=O)N1CCC1C 527a_100000755817_100103153847 [1,0,0,1,0,0|1,0,1]=4 3654 B8R1.34 CC(=O)C=C1CCC1 1458a_100000686340_200000210301 [1,0,0,1,0,0|0,0,0]=2 3655 B8R1.34 CC(=O)CC1CCC1 1458a_100000070787_100000763275 [1,0,0,1,0,0|0,0,2]=4 3656 B8R1.34 CC(=O)CC1CCC1 1458a_100000763092_200000210301 [1,0,0,1,0,0|0,0,2]=4 3657 B8R1.34 CC(=O)NC1CCC1 11a_100000749019_100015343762 [1,0,0,1,0,0|1,0,1]=4 3658 B8R1.34 CC(=O)NC1CCC1 1626a_100000749019_100015343762 [1,0,0,1,0,0|1,0,1]=4 3659 B8R1.34 CC(=O)NC1CCC1 240690a_100000749019_100015343762 [1,0,0,1,0,0|1,0,1]=4 3660 B8R1.34 CC(=O)NC1CCC1 527a_100000749019_100103153847 [1,0,0,1,0,0|1,0,1]=4 3661 B8R1.34 [13CH3]C(=O)C=C1CCC1 1458a_100000686340_200025704644 [1,0,0,1,0,0|0,0,0]=2 3662 B8R1.34 [13CH3]C(=O)CC1CCC1 1458a_100000763092_200025704644 [1,0,0,1,0,0|0,0,2]=4 3663 B8R1.35 CC(=O)C=CC1CC1 1458a_100102529529_200000210301 [1,0,0,1,0,0|0,0,0]=2 3664 B8R1.35 CC(=O)CCC1CC1 1458a_100000070787_100000694398 [1,0,0,1,0,0|0,0,2]=4 3665 B8R1.35 CC(=O)CCC1CC1 1458a_100000756386_200000210301 [1,0,0,1,0,0|0,0,2]=4 3666 B8R1.35 CC(=O)COC1CC1 34a_100000211253_100000211595 [1,0,0,1,0,0|1,0,1]=4 3667 B8R1.35 CC(=O)NCC1CC1 11a_100000735609_100015343762 [1,0,0,1,0,0|1,0,1]=4 3668 B8R1.35 CC(=O)NCC1CC1 1626a_100000735609_100015343762 [1,0,0,1,0,0|1,0,1]=4 3669 B8R1.35 CC(=O)NCC1CC1 240690a_100000735609_100015343762 [1,0,0,1,0,0|1,0,1]=4 3670 B8R1.35 CC(=O)NCC1CC1 527a_100000735609_100103153847 [1,0,0,1,0,0|1,0,1]=4 3671 B8R1.35 CC(=O)NNC1CC1 22a_100000701032_100000070787 [1,0,0,1,0,0|2,0,0]=4 3672 B8R1.35 O=C(O)CNC1CC1 269956a_100016091260_100000211595 [1,0,0,1,0,0|1,0,1]=4 3673 B8R1.35 [13CH3]C(=O)C=CC1CC1 1458a_100102529529_200025704644 [1,0,0,1,0,0|0,0,0]=2 3674 B8R1.35 [13CH3]C(=O)CCC1CC1 1458a_100000756386_200025704644 [1,0,0,1,0,0|0,0,2]=4 3675 B8R1.43 CCC1CC1C(=O)C 1458a_200011661523_200000210301 [1,0,0,1,0,0|0,0,2]=4 3676 B8R1.43 CCC1CC1C(=O)[13CH3] 1458a_200011661523_200025704644 [1,0,0,1,0,0|0,0,2]=4 3677 B10R1.31 CC(C)n1ccc(n1)O[13CH3] 34a_100013209193_200025704644 [0,1,0,1,0,0|2,0,0]=4 3678 B10R1.31 COc1ccn(n1)C(C)C 34a_100013209193_200000210301 [0,1,0,1,0,0|2,0,0]=4 3679 B10R1.150 COC(=O)CN1CC(C1)C 2230a_100000702820_100000747449 [0,1,0,1,0,0|1,0,1]=4 3680 B10R1.150 COC(=O)CN1CC(C1)C 269982a_100000702820_100000747449 [0,1,0,1,0,0|1,0,1]=4 3681 B10R1.150 COC(=O)CN1CC(C1)C 34a_100000702820_100000747449 [0,1,0,1,0,0|1,0,1]=4 3682 B10R1.150 COC(=O)CN1CC(C1)F 2230a_100000690557_100000747449 [0,1,0,1,0,0|1,0,1]=4 3683 B10R1.150 COC(=O)CN1CC(C1)F 269982a_100000690557_100000747449 [0,1,0,1,0,0|1,0,1]=4 3684 B10R1.150 COC(=O)CN1CC(C1)F 34a_100000690557_100000747449 [0,1,0,1,0,0|1,0,1]=4 3685 B10R1.150 COC(=O)CN1CC(C1)O 269982a_100000749847_100000747449 [0,1,0,1,0,0|1,0,1]=4 3686 B10R1.153 CCC(=O)NN=CC1CC1 4a_100000183195_100000741477 [0,1,0,1,0,0|2,0,0]=4 3687 B10R1.153 COC(=O)C=NNC1CC1 4a_100000701032_200011823558 [0,1,0,1,0,0|1,0,0]=3 3688 B10R1.153 COC(=O)CCNC1CC1 34a_100000212008_100000742370 [0,1,0,1,0,0|0,0,2]=4 3689 B10R1.153 COC(=O)CCSC1CC1 62a_100000204255_100000211595 [0,1,0,1,0,0|0,0,2]=4 3690 B10R1.153 COC(=O)CNCC1CC1 2230a_100000735609_100000747449 [0,1,0,1,0,0|0,0,2]=4 3691 B10R1.153 COC(=O)CNCC1CC1 34a_100000735609_100000747449 [0,1,0,1,0,0|0,0,2]=4 3692 B10R1.153 COC(=O)COCC1CC1 34a_100000211283_100000747449 [0,1,0,1,0,0|0,0,2]=4 3693 B10R1.153 COC(=O)COC[C@@H]1CO1 34a_100000757423_100000747449 [0,1,0,1,0,0|1,0,1]=4 3694 B10R1.153 COC(=O)CSCC1CC1 62a_100000747449_100000742324 [0,1,0,1,0,0|0,0,2]=4 3695 B10R1.153 COC(=O)CSCC1CC1 62a_100000756562_100000747449 [0,1,0,1,0,0|0,0,2]=4 3696 B10R1.153 COC(=O)CSCC1CO1 62a_100000747449_102125554688 [0,1,0,1,0,0|1,0,1]=4 3697 B10R1.153 COC(=O)CSCC1CO1 62a_102125554688_100000747449 [0,1,0,1,0,0|1,0,1]=4 3698 B10R1.153 COC(=O)CSCC1CS1 62a_100000031435_100000747449 [0,1,0,1,0,0|1,0,1]=4 3699 B10R1.153 COC(=O)CSCC1CS1 62a_100000747449_100000031435 [0,1,0,1,0,0|1,0,1]=4 3700 B10R1.153 COC(=O)CSC[C@@H]1CO1 62a_100000745022_100000747449 [0,1,0,1,0,0|1,0,1]=4 3701 B10R1.153 COC(=O)CSC[C@@H]1CO1 62a_100000747449_100000745022 [0,1,0,1,0,0|1,0,1]=4 3702 B10R1.206 COC(=O)CN[C@@H]1C[C@@H]1F 2230a_100015190264_100000747449 [0,1,0,1,0,0|1,0,1]=4 3703 B10R1.206 COC(=O)CN[C@@H]1C[C@H]1F 2230a_100025746932_100000747449 [0,1,0,1,0,0|1,0,1]=4 3704 B10R1.206 COC(=O)CN[C@@H]1C[C@H]1F 34a_100025746932_100000747449 [0,1,0,1,0,0|1,0,1]=4 3705 B10R1.10 CCCN1CCOC(=O)C1 2230a_100000131268_100000210303 [0,1,0,1,0,0|1,0,1]=4 3706 B10R1.11 C#CCC(=O)C1=CCCC1 1458a_100000038896_100000184674 [0,1,0,1,0,0|1,0,1]=4 3707 B10R1.11 C=CCC(=O)C1=CCCC1 1458a_100000038896_100000210623 [0,1,0,1,0,0|1,0,1]=4 3708 B10R1.11 CCCC(=O)C1=CCCC1 1458a_100000038896_100000210303 [0,1,0,1,0,0|1,0,0]=3 3709 B10R1.11 CCCC(=O)C1=CCOC1 1458a_100000139269_100000210303 [0,1,0,1,0,0|2,0,0]=4 3710 B10R1.11 CCCC(=O)C1=COCC1 1458a_100000750620_100000210303 [0,1,0,1,0,0|2,0,0]=4 3711 B10R1.11 CCNC(=O)C1=CCCC1 11a_100015525214_100000038896 [0,1,0,1,0,0|1,0,0]=3 3712 B10R1.11 CCNC(=O)C1=CCCC1 240690a_100015525214_100000038896 [0,1,0,1,0,0|1,0,0]=3 3713 B10R1.11 CCNC(=O)C1=CCOC1 11a_100015525214_100000139269 [0,1,0,1,0,0|2,0,0]=4 3714 B10R1.11 CCNC(=O)C1=CCOC1 240690a_100015525214_100000139269 [0,1,0,1,0,0|2,0,0]=4 3715 B10R1.11 CCNC(=O)C1=COCC1 240690a_100015525214_100000750620 [0,1,0,1,0,0|2,0,0]=4 3716 B10R1.11 CNNC(=O)C1=CCCC1 22a_100016993582_100000038896 [0,1,0,1,0,0|1,0,0]=3 3717 B10R1.11 CNNC(=O)C1=CCOC1 22a_100016993582_100000139269 [0,1,0,1,0,0|2,0,0]=4 3718 B10R1.11 CNNC(=O)C1=COCC1 22a_100016993582_100000750620 [0,1,0,1,0,0|2,0,0]=4 3719 B10R1.11 COCC(=O)C1CCCC1 1458a_100000210968_100000179811 [0,1,0,1,0,0|0,0,2]=4 3720 B10R1.11 COCC(=O)N1CCCC1 240690a_100000188435_100000210968 [0,1,0,1,0,0|1,0,1]=4 3721 B10R1.11 COCC(=O)N1CCCC1 34a_100138415774_100000183516 [0,1,0,1,0,0|1,0,1]=4 3722 B10R1.11 COCC(=O)N1CCCC1 527a_100000188435_100000210968 [0,1,0,1,0,0|1,0,1]=4 3723 B10R1.11 COCC(=O)N1CCCC1 7a_200000752455_200000210301 [0,1,0,1,0,0|1,0,1]=4 3724 B10R1.11 N#CCC(=O)C1=CCCC1 1458a_100000038896_100011214920 [0,1,0,1,0,0|1,0,1]=4 3725 B10R1.11 O=C(CCF)C1=CCCC1 1458a_100000038896_100011217306 [0,1,0,1,0,0|1,0,0]=3 3726 B10R1.11 O=C(CCF)C1=CCOC1 1458a_100000139269_100011217306 [0,1,0,1,0,0|2,0,0]=4 3727 B10R1.11 O=C(CCF)C1=COCC1 1458a_100000750620_100011217306 [0,1,0,1,0,0|2,0,0]=4 3728 B10R1.11 O=C(CCO)C1=CCCC1 1458a_100000038896_100000211926 [0,1,0,1,0,0|1,0,0]=3 3729 B10R1.11 O=C(CCO)C1=CCOC1 1458a_100000139269_100000211926 [0,1,0,1,0,0|2,0,0]=4 3730 B10R1.11 O=C(CCO)C1=COCC1 1458a_100000750620_100000211926 [0,1,0,1,0,0|2,0,0]=4 3731 B10R1.11 [13CH3]OCC(=O)N1CCCC1 7a_200000752455_200025704644 [0,1,0,1,0,0|1,0,1]=4 3732 B10R1.21 CCCC=Cc1ccco1 271570a_100016258520_100009814098 [0,1,0,1,0,0|1,0,1]=4 3733 B10R1.21 CCCC=Cc1ccoc1 271570a_100016258520_100011215275 [0,1,0,1,0,0|1,0,1]=4 3734 B10R1.21 CCCC=Cc1cnco1 271570a_100016258520_100020591547 [0,1,0,1,0,0|1,0,1]=4 3735 B10R1.21 CCCC=Cc1cnoc1 271570a_100016258520_100009815712 [0,1,0,1,0,0|2,0,0]=4 3736 B10R1.21 CCCC=Cc1ncco1 271570a_100016258520_100011787736 [0,1,0,1,0,0|1,0,1]=4 3737 B10R1.29 CCCN[C@@H]1CONC1=O 2230a_100000765999_100000210303 [0,1,0,1,0,0|1,0,1]=4 3738 B10R1.29 CCCN[C@@H]1CONC1=O 34a_100000765999_100000210303 [0,1,0,1,0,0|1,0,1]=4 3739 B10R1.29 CCCOC1CCOC1=O 34a_100000210258_100000211211 [0,1,0,1,0,0|1,0,1]=4 3740 B10R1.29 CCCSC1CCOC1=O 62a_100000210303_100000211211 [0,1,0,1,0,0|1,0,1]=4 3741 B10R1.29 CCCSC1CCOC1=O 62a_100000211211_100000210303 [0,1,0,1,0,0|1,0,1]=4 3742 B10R1.96 CCCc1ccc(s1)SC 62a_100010157708_200000210301 [0,1,0,1,0,0|0,2,0]=4 3743 B10R1.96 CCCc1ccc(s1)SC 62a_200000210301_100010157708 [0,1,0,1,0,0|0,2,0]=4 3744 B10R1.96 CCCc1ccc(s1)S[13CH3] 62a_100010157708_200025704644 [0,1,0,1,0,0|0,2,0]=4 3745 B10R1.96 CCCc1ccc(s1)S[13CH3] 62a_200025704644_100010157708 [0,1,0,1,0,0|0,2,0]=4 3746 B10R1.96 CCCc1ncc([nH]1)SC 62a_200000210301_200009820212 [0,1,0,1,0,0|1,1,0]=4 3747 B10R1.96 CCCc1ncc([nH]1)SC 62a_200009820212_200000210301 [0,1,0,1,0,0|1,1,0]=4 3748 B10R1.96 CCCc1ncc([nH]1)S[13CH3] 62a_200009820212_200025704644 [0,1,0,1,0,0|1,1,0]=4 3749 B10R1.96 CCCc1ncc([nH]1)S[13CH3] 62a_200025704644_200009820212 [0,1,0,1,0,0|1,1,0]=4 3750 B10R1.96 CCCn1ccc(n1)SC 62a_100012457951_200000210301 [0,1,0,1,0,0|1,1,0]=4 3751 B10R1.96 CCCn1ccc(n1)SC 62a_200000210301_100012457951 [0,1,0,1,0,0|1,1,0]=4 3752 B10R1.96 CCCn1ccc(n1)S[13CH3] 62a_100012457951_200025704644 [0,1,0,1,0,0|1,1,0]=4 3753 B10R1.96 CCCn1ccc(n1)S[13CH3] 62a_200025704644_100012457951 [0,1,0,1,0,0|1,1,0]=4 3754 B10R1.96 CCSc1cc(on1)C=O 62a_100000210202_100009819588 [0,1,0,1,0,0|2,0,0]=4 3755 B10R1.96 CCSc1cc(on1)C=O 62a_100009819588_100000210202 [0,1,0,1,0,0|2,0,0]=4 3756 B10R1.96 CCSc1cnc(s1)OC 62a_100000210202_100000729428 [0,1,0,1,0,0|1,1,0]=4 3757 B10R1.96 CCSc1cnc(s1)OC 62a_100000729428_100000210202 [0,1,0,1,0,0|1,1,0]=4 3758 B10R1.96 CCSc1coc(c1)C=O 62a_100000210202_100000747035 [0,1,0,1,0,0|1,0,1]=4 3759 B10R1.96 CCSc1coc(c1)C=O 62a_100000747035_100000210202 [0,1,0,1,0,0|1,0,1]=4 3760 B10R1.96 CCSc1csc(n1)OC 62a_100000210202_100000727839 [0,1,0,1,0,0|2,0,0]=4 3761 B10R1.96 CCSc1csc(n1)OC 62a_100000727839_100000210202 [0,1,0,1,0,0|2,0,0]=4 3762 B10R1.96 CCn1ccc(n1)COC 34a_100138415774_100000094151 [0,1,0,1,0,0|2,0,0]=4 3763 B10R1.130 COCc1cc(oc1C)C 34a_100000688432_200000210301 [0,1,0,1,0,0|2,0,0]=4 3764 B10R1.130 COCc1cc(oc1C)C 7a_100000688432_200000210301 [0,1,0,1,0,0|2,0,0]=4 3765 B10R1.130 CSCc1oc(=O)oc1C 62a_200000210301_100000068490 [0,1,0,1,0,0|2,0,0]=4 3766 B10R1.130 Cc1cc(c(o1)C)CO[13CH3] 34a_100000688432_200025704644 [0,1,0,1,0,0|2,0,0]=4 3767 B10R1.130 Cc1cc(c(o1)C)CO[13CH3] 7a_100000688432_200025704644 [0,1,0,1,0,0|2,0,0]=4 3768 B10R1.130 Cc1oc(=O)oc1CS[13CH3] 62a_200025704644_100000068490 [0,1,0,1,0,0|2,0,0]=4 3769 B10R1.137 C#CCC(=O)C=C1CCC1 1458a_100000686340_100000184674 [0,1,0,1,0,0|1,0,1]=4 3770 B10R1.137 C=CCC(=O)C=C1CCC1 1458a_100000686340_100000210623 [0,1,0,1,0,0|1,0,1]=4 3771 B10R1.137 CCCC(=O)C=C1CCC1 1458a_100000686340_100000210303 [0,1,0,1,0,0|1,0,0]=3 3772 B10R1.137 CCNC(=O)C=C1CCC1 11a_100015525214_100000686340 [0,1,0,1,0,0|1,0,0]=3 3773 B10R1.137 CCNC(=O)C=C1CCC1 240690a_100015525214_100000686340 [0,1,0,1,0,0|1,0,0]=3 3774 B10R1.137 CCOC(=O)CN1CCC1 269982a_100000754969_100000188475 [0,1,0,1,0,0|1,0,1]=4 3775 B10R1.137 CNNC(=O)C=C1CCC1 22a_100016993582_100000686340 [0,1,0,1,0,0|1,0,0]=3 3776 B10R1.137 COCC(=O)CC1CCC1 1458a_100000210968_100000763275 [0,1,0,1,0,0|0,0,2]=4 3777 B10R1.137 COCC(=O)NC1CCC1 11a_100000749019_100000210968 [0,1,0,1,0,0|1,0,1]=4 3778 B10R1.137 COCC(=O)NC1CCC1 1626a_100000749019_100000210968 [0,1,0,1,0,0|1,0,1]=4 3779 B10R1.137 COCC(=O)NC1CCC1 240690a_100000749019_100000210968 [0,1,0,1,0,0|1,0,1]=4 3780 B10R1.137 COCC(=O)NC1CCC1 527a_100000749019_100000210968 [0,1,0,1,0,0|1,0,1]=4 3781 B10R1.137 N#CCC(=O)C=C1CCC1 1458a_100000686340_100011214920 [0,1,0,1,0,0|1,0,1]=4 3782 B10R1.137 O=C(C=C1CCC1)CCF 1458a_100000686340_100011217306 [0,1,0,1,0,0|1,0,0]=3 3783 B10R1.137 O=C(C=C1CCC1)CCO 1458a_100000686340_100000211926 [0,1,0,1,0,0|1,0,0]=3 3784 B10R1.138 C#CCC(=O)C=CC1CC1 1458a_100102529529_100000184674 [0,1,0,1,0,0|1,0,1]=4 3785 B10R1.138 C=CCC(=O)C=CC1CC1 1458a_100102529529_100000210623 [0,1,0,1,0,0|1,0,1]=4 3786 B10R1.138 CCCC(=O)C=CC1CC1 1458a_100102529529_100000210303 [0,1,0,1,0,0|1,0,0]=3 3787 B10R1.138 CCNC(=O)C=CC1CC1 11a_100015525214_100102529529 [0,1,0,1,0,0|1,0,0]=3 3788 B10R1.138 CCNC(=O)C=CC1CC1 240690a_100015525214_100102529529 [0,1,0,1,0,0|1,0,0]=3 3789 B10R1.138 CCOC(=O)CNC1CC1 34a_100000212008_100000188475 [0,1,0,1,0,0|1,0,1]=4 3790 B10R1.138 CCOC(=O)CSC1CC1 62a_100000188475_100000211595 [0,1,0,1,0,0|1,0,1]=4 3791 B10R1.138 CNNC(=O)C=CC1CC1 22a_100016993582_100102529529 [0,1,0,1,0,0|1,0,0]=3 3792 B10R1.138 COCC(=O)CCC1CC1 1458a_100000210968_100000694398 [0,1,0,1,0,0|0,0,2]=4 3793 B10R1.138 COCC(=O)NCC1CC1 11a_100000735609_100000210968 [0,1,0,1,0,0|1,0,1]=4 3794 B10R1.138 COCC(=O)NCC1CC1 1626a_100000735609_100000210968 [0,1,0,1,0,0|1,0,1]=4 3795 B10R1.138 COCC(=O)NCC1CC1 240690a_100000735609_100000210968 [0,1,0,1,0,0|1,0,1]=4 3796 B10R1.138 COCC(=O)NCC1CC1 527a_100000735609_100000210968 [0,1,0,1,0,0|1,0,1]=4 3797 B10R1.138 COCC(=O)NNC1CC1 22a_100000701032_100000210968 [0,1,0,1,0,0|2,0,0]=4 3798 B10R1.138 N#CCC(=O)C=CC1CC1 1458a_100102529529_100011214920 [0,1,0,1,0,0|1,0,1]=4 3799 B10R1.138 O=C(C=CC1CC1)CCF 1458a_100102529529_100011217306 [0,1,0,1,0,0|1,0,0]=3 3800 B10R1.138 O=C(C=CC1CC1)CCO 1458a_100102529529_100000211926 [0,1,0,1,0,0|1,0,0]=3 3801 B10R1.139 CCCC(=O)C1CCC1=O 1458a_100000211992_100009892977 [0,1,0,1,0,0|1,0,1]=4 3802 B10R1.139 COCC(=O)N1CCC1C 11a_100000755817_100000210968 [0,1,0,1,0,0|1,0,1]=4 3803 B10R1.139 COCC(=O)N1CCC1C 240690a_100000755817_100000210968 [0,1,0,1,0,0|1,0,1]=4 3804 B10R1.139 COCC(=O)N1CCC1C 527a_100000755817_100000210968 [0,1,0,1,0,0|1,0,1]=4 3805 B10R1.186 CC/C=C\CC(=O)C1CO1 1458a_100000701028_100103147603 [0,1,0,1,0,0|0,0,2]=4 3806 B10R1.186 CCCCCC(=O)C1CO1 1458a_100000701028_100000210326 [0,1,0,1,0,0|0,0,2]=4 3807 B10R1.186 CCCCNC(=O)C1CO1 11a_100000102301_100000701028 [0,1,0,1,0,0|1,0,1]=4 3808 B10R1.186 CCCCNC(=O)C1CO1 1626a_100000102301_100000701028 [0,1,0,1,0,0|1,0,1]=4 3809 B10R1.186 CCCCNC(=O)C1CO1 240690a_100000102301_100000701028 [0,1,0,1,0,0|1,0,1]=4 3810 B10R1.186 CCCCNC(=O)C1CO1 527a_100000102301_100000701028 [0,1,0,1,0,0|1,0,1]=4 3811 B10R1.186 CCCNNC(=O)C1CO1 22a_100000740057_100000701028 [0,1,0,1,0,0|2,0,0]=4 3812 B10R1.245 COc1c(occc1=O)C 34a_100000031901_200000210301 [0,1,0,1,0,0|1,0,1]=4 3813 B10R1.245 Cc1occc(=O)c1O[13CH3] 34a_100000031901_200025704644 [0,1,0,1,0,0|1,0,1]=4 3814 B10R1.15 C#CC(=O)C1C=CCCC1 1458a_100000211873_100000751183 [0,1,0,1,0,0|1,0,1]=4 3815 B10R1.15 C=CC(=O)C1C=CCCC1 1458a_100000185746_100000751183 [0,1,0,1,0,0|1,0,1]=4 3816 B10R1.15 CCC(=O)C1=CCCCC1 1458a_100000765259_100000210202 [0,1,0,1,0,0|1,0,0]=3 3817 B10R1.15 CCC(=O)C1=CCCCO1 1458a_100000764163_100000210202 [0,1,0,1,0,0|1,0,0]=3 3818 B10R1.15 CCC(=O)C1=COCCC1 1458a_100000749935_100000210202 [0,1,0,1,0,0|1,0,0]=3 3819 B10R1.15 CCC(=O)C1=COCCO1 1458a_100000008702_100000210202 [0,1,0,1,0,0|2,0,0]=4 3820 B10R1.15 CCC(=O)C1C=CCCC1 1458a_100000210414_100000751183 [0,1,0,1,0,0|1,0,0]=3 3821 B10R1.15 CNC(=O)C1=CCCCC1 11a_106832991635_100000765259 [0,1,0,1,0,0|1,0,0]=3 3822 B10R1.15 CNC(=O)C1=CCCCC1 1626a_100102657272_100000765259 [0,1,0,1,0,0|1,0,0]=3 3823 B10R1.15 CNC(=O)C1=CCCCC1 240690a_100102657272_100000765259 [0,1,0,1,0,0|1,0,0]=3 3824 B10R1.15 CNC(=O)C1=CCCCC1 527a_100102657272_100000765259 [0,1,0,1,0,0|1,0,0]=3 3825 B10R1.15 CNC(=O)C1=CCCCO1 11a_106832991635_100000764163 [0,1,0,1,0,0|1,0,0]=3 3826 B10R1.15 CNC(=O)C1=CCCCO1 1626a_100102657272_100000764163 [0,1,0,1,0,0|1,0,0]=3 3827 B10R1.15 CNC(=O)C1=CCCCO1 240690a_100102657272_100000764163 [0,1,0,1,0,0|1,0,0]=3 3828 B10R1.15 CNC(=O)C1=CCCCO1 527a_100102657272_100000764163 [0,1,0,1,0,0|1,0,0]=3 3829 B10R1.15 CNC(=O)C1=COCCC1 1626a_100102657272_100000749935 [0,1,0,1,0,0|1,0,0]=3 3830 B10R1.15 CNC(=O)C1=COCCC1 527a_100102657272_100000749935 [0,1,0,1,0,0|1,0,0]=3 3831 B10R1.15 CNC(=O)C1=COCCO1 11a_106832991635_100000008702 [0,1,0,1,0,0|2,0,0]=4 3832 B10R1.15 CNC(=O)C1=COCCO1 1626a_100102657272_100000008702 [0,1,0,1,0,0|2,0,0]=4 3833 B10R1.15 CNC(=O)C1=COCCO1 240690a_100102657272_100000008702 [0,1,0,1,0,0|2,0,0]=4 3834 B10R1.15 CNC(=O)C1=COCCO1 527a_100102657272_100000008702 [0,1,0,1,0,0|2,0,0]=4 3835 B10R1.15 O=C(CF)C1=CCCCC1 1458a_100000765259_100015361967 [0,1,0,1,0,0|2,0,0]=4 3836 B10R1.15 O=C(CF)C1=CCCCO1 1458a_100000764163_100015361967 [0,1,0,1,0,0|2,0,0]=4 3837 B10R1.15 O=C(CF)C1=COCCC1 1458a_100000749935_100015361967 [0,1,0,1,0,0|2,0,0]=4 3838 B10R1.15 O=C(CO)C1C=CCCC1 1458a_100000210174_100000751183 [0,1,0,1,0,0|2,0,0]=4 3839 B10R1.99 CCCN1CC1C(=O)OC 2230a_200009830135_100000210303 [0,1,0,1,0,0|0,0,2]=4 3840 B10R1.182 CNC(=O)C(=O)C1CCC1 1458a_100011218921_100000749161 [0,1,0,1,0,0|1,0,1]=4 3841 B10R1.182 CNC(=O)C(=O)N1CCC1 240690a_100000754969_100011218921 [0,1,0,1,0,0|2,0,0]=4 3842 B10R1.182 CNC(=O)C(=O)N1CCC1 527a_100000754969_100011218921 [0,1,0,1,0,0|2,0,0]=4 3843 B10R1.182 COC(=O)C(=O)N1CCC1 11a_100000754969_100000024059 [0,1,0,1,0,0|1,0,0]=3 3844 B10R1.182 COC(=O)C(=O)N1CCC1 240690a_100000754969_100000024059 [0,1,0,1,0,0|1,0,0]=3 3845 B10R1.182 COC(=O)C(=O)N1CCC1 527a_100000754969_100000024059 [0,1,0,1,0,0|1,0,0]=3 3846 B10R1.182 COC(=O)C(C)N1CCC1 269982a_100000754969_100000211248 [0,1,0,1,0,0|1,0,1]=4 3847 B10R1.184 CCC(=O)C(=O)NC1CC1 1458a_100000756273_100000210202 [0,1,0,1,0,0|2,0,0]=4 3848 B10R1.184 CNC(=O)C(=O)CC1CC1 1458a_100011218921_100000742324 [0,1,0,1,0,0|1,0,1]=4 3849 B10R1.184 CNC(=O)C(=O)NC1CC1 1626a_100000212008_100011218921 [0,1,0,1,0,0|2,0,0]=4 3850 B10R1.184 CNC(=O)C(=O)NC1CC1 1626a_100102657272_100000756273 [0,1,0,1,0,0|2,0,0]=4 3851 B10R1.184 CNC(=O)C(=O)NC1CC1 240690a_100000212008_100011218921 [0,1,0,1,0,0|2,0,0]=4 3852 B10R1.184 CNC(=O)C(=O)NC1CC1 240690a_100102657272_100000756273 [0,1,0,1,0,0|2,0,0]=4 3853 B10R1.184 CNC(=O)C(=O)NC1CC1 527a_100000212008_100011218921 [0,1,0,1,0,0|2,0,0]=4 3854 B10R1.184 COC(=O)C(=O)NC1CC1 1626a_100000212008_100000024059 [0,1,0,1,0,0|1,0,0]=3 3855 B10R1.184 COC(=O)C(=O)NC1CC1 240690a_100000212008_100000024059 [0,1,0,1,0,0|1,0,0]=3 3856 B10R1.184 COC(=O)C(=O)NC1CC1 527a_100000212008_100000024059 [0,1,0,1,0,0|1,0,0]=3 3857 B10R1.184 COC(=O)C(C)NC1CC1 34a_100000212008_100000211248 [0,1,0,1,0,0|1,0,1]=4 3858 B10R1.184 COC(=O)C(C)OC1CC1 34a_100011215400_100000211595 [0,1,0,1,0,0|1,0,1]=4 3859 B10R1.184 COC(=O)C(C)SC1CC1 62a_100000211248_100000211595 [0,1,0,1,0,0|1,0,1]=4 3860 B10R1.3 CCc1ccc(cc1)OC 34a_100000211359_200000210301 [0,1,0,1,0,0|1,0,1]=4 3861 B10R1.3 CCc1ccc(cc1)OC 7a_100000211359_200000210301 [0,1,0,1,0,0|1,0,1]=4 3862 B10R1.3 CCc1ccc(cc1)O[13CH3] 34a_100000211359_200025704644 [0,1,0,1,0,0|1,0,1]=4 3863 B10R1.3 CCc1ccc(cc1)O[13CH3] 7a_100000211359_200025704644 [0,1,0,1,0,0|1,0,1]=4 3864 B10R1.151 CCC(=O)NN=C1CCC1 4a_100000183195_100000241760 [0,1,0,1,0,0|2,0,0]=4 3865 B10R1.151 COC(=O)CCN1CCC1 269982a_100000754969_100000204255 [0,1,0,1,0,0|0,0,2]=4 3866 B10R1.151 COC(=O)CNC1CCC1 2230a_100000749019_100000747449 [0,1,0,1,0,0|0,0,2]=4 3867 B10R1.151 COC(=O)CNC1CCC1 34a_100000749019_100000747449 [0,1,0,1,0,0|0,0,2]=4 3868 B10R1.151 COC(=O)CNC1COC1 2230a_100016991112_100000747449 [0,1,0,1,0,0|1,0,1]=4 3869 B10R1.151 COC(=O)COC1CCC1 34a_100000748187_100000747449 [0,1,0,1,0,0|0,0,2]=4 3870 B10R1.151 COC(=O)COC1CSC1 7a_100000072292_100000747449 [0,1,0,1,0,0|1,0,1]=4 3871 B10R1.151 COC(=O)CSC1CCC1 62a_100000747449_100000749161 [0,1,0,1,0,0|0,0,2]=4 3872 B10R1.151 COC(=O)CSC1COC1 62a_100000747449_100009818527 [0,1,0,1,0,0|1,0,1]=4 3873 B10R1.152 COC(=O)CNC1(CC1)C 2230a_100000757604_100000747449 [0,1,0,1,0,0|1,0,1]=4 3874 B10R1.152 COC(=O)COC1(CC1)C 7a_100011725673_100000747449 [0,1,0,1,0,0|1,0,1]=4 3875 B10R1.463 COC(=O)CN1CCC1C 269982a_100000755817_100000747449 [0,1,0,1,0,0|0,0,2]=4 3876 B10R1.463 COC(=O)CN1CCC1C 34a_100000755817_100000747449 [0,1,0,1,0,0|0,0,2]=4 3877 B10R1.27 CCC(=O)C=C1CCCC1 1458a_100000743260_100000210202 [0,1,0,1,0,0|1,0,0]=3 3878 B10R1.27 CCC(=O)CC1=CCCC1 1458a_100000050221_100000210202 [0,1,0,1,0,0|1,0,0]=3 3879 B10R1.27 CNC(=O)C=C1CCCC1 11a_106832991635_100000743260 [0,1,0,1,0,0|1,0,0]=3 3880 B10R1.27 CNC(=O)C=C1CCCC1 1626a_100102657272_100000743260 [0,1,0,1,0,0|1,0,0]=3 3881 B10R1.27 CNC(=O)C=C1CCCC1 240690a_100102657272_100000743260 [0,1,0,1,0,0|1,0,0]=3 3882 B10R1.27 CNC(=O)C=C1CCCC1 527a_100102657272_100000743260 [0,1,0,1,0,0|1,0,0]=3 3883 B10R1.27 CNC(=O)CC1=CCCC1 11a_106832991635_100000050221 [0,1,0,1,0,0|1,0,0]=3 3884 B10R1.27 CNC(=O)CC1=CCCC1 1626a_100102657272_100000050221 [0,1,0,1,0,0|1,0,0]=3 3885 B10R1.27 CNC(=O)CC1=CCCC1 240690a_100102657272_100000050221 [0,1,0,1,0,0|1,0,0]=3 3886 B10R1.27 CNC(=O)CC1=CCCC1 527a_100102657272_100000050221 [0,1,0,1,0,0|1,0,0]=3 3887 B10R1.27 COC(=O)CN1CCCC1 2230a_100000188435_100000747449 [0,1,0,1,0,0|0,0,2]=4 3888 B10R1.27 COC(=O)CN1CCCC1 269982a_100000188435_100000747449 [0,1,0,1,0,0|0,0,2]=4 3889 B10R1.27 COC(=O)CN1CCSC1 2230a_100011215254_100000747449 [0,1,0,1,0,0|1,0,1]=4 3890 B10R1.27 COC(=O)CN1CCSC1 269982a_100011215254_100000747449 [0,1,0,1,0,0|1,0,1]=4 3891 B10R1.27 O=C(C=C1CCCC1)CF 1458a_100000743260_100015361967 [0,1,0,1,0,0|2,0,0]=4 3892 B10R1.27 O=C(CF)CC1=CCCC1 1458a_100000050221_100015361967 [0,1,0,1,0,0|2,0,0]=4 3893 B10R1.134 CC(=CC(=O)CF)C1CC1 1458a_100000742917_100015361967 [0,1,0,1,0,0|2,0,0]=4 3894 B10R1.134 CCC(=O)C=C(C)C1CC1 1458a_100000742917_100000210202 [0,1,0,1,0,0|1,0,0]=3 3895 B10R1.134 CCC(=O)CC(=O)C1CC1 1458a_100000210395_100000747405 [0,1,0,1,0,0|1,0,1]=4 3896 B10R1.134 CCC(=O)CC(=O)C1CC1 1458a_100000210414_100000746382 [0,1,0,1,0,0|1,0,1]=4 3897 B10R1.134 CNC(=O)C=C(C)C1CC1 11a_106832991635_100000742917 [0,1,0,1,0,0|1,0,0]=3 3898 B10R1.134 CNC(=O)C=C(C)C1CC1 1626a_100102657272_100000742917 [0,1,0,1,0,0|1,0,0]=3 3899 B10R1.134 CNC(=O)C=C(C)C1CC1 240690a_100102657272_100000742917 [0,1,0,1,0,0|1,0,0]=3 3900 B10R1.134 CNC(=O)CC(=O)C1CC1 1458a_100000210395_100000183359 [0,1,0,1,0,0|1,0,1]=4 3901 B10R1.134 COC(=O)CC(=O)C1CC1 1458a_100000210395_100000747449 [0,1,0,1,0,0|0,0,1]=3 3902 B10R1.134 COC(=O)CC(=O)C1CO1 1458a_100000701028_100000747449 [0,1,0,1,0,0|1,0,1]=4 3903 B10R1.134 COC(=O)CN(C)C1CC1 2230a_100000226674_100000747449 [0,1,0,1,0,0|1,0,1]=4 3904 B10R1.134 COC(=O)CN(C)C1CC1 269982a_100000226674_100000747449 [0,1,0,1,0,0|1,0,1]=4 3905 B10R1.149 CCC(=O)C1CCCC1=O 1458a_100000210414_100000211823 [0,1,0,1,0,0|1,0,1]=4 3906 B10R1.149 COC(=O)C1SCCN1C 2230a_100015296106_200000210301 [0,1,0,1,0,0|1,0,1]=4 3907 B10R1.149 COC(=O)C1SCCN1C 269982a_100015296106_200000210301 [0,1,0,1,0,0|1,0,1]=4 3908 B10R1.149 COC(=O)C1SCCN1[13CH3] 2230a_100015296106_200025704644 [0,1,0,1,0,0|1,0,1]=4 3909 B10R1.149 COC(=O)C1SCCN1[13CH3] 269982a_100015296106_200025704644 [0,1,0,1,0,0|1,0,1]=4 3910 B10R1.149 COC(=O)[C@@H]1CCCN1C 2230a_100000752040_200000210301 [0,1,0,1,0,0|0,0,2]=4 3911 B10R1.149 COC(=O)[C@@H]1CCCN1C 269982a_100000752040_200000210301 [0,1,0,1,0,0|0,0,2]=4 3912 B10R1.149 COC(=O)[C@@H]1CCCN1[13CH3] 2230a_100000752040_200025704644 [0,1,0,1,0,0|0,0,2]=4 3913 B10R1.149 COC(=O)[C@@H]1CCCN1[13CH3] 269982a_100000752040_200025704644 [0,1,0,1,0,0|0,0,2]=4 3914 B10R1.2 COc1cccn(c1=O)C 34a_100000117616_200000210301 [0,1,0,1,0,0|1,0,1]=4 3915 B10R1.2 COc1cccn(c1=O)C 7a_100000117616_200000210301 [0,1,0,1,0,0|1,0,1]=4 3916 B10R1.2 Cn1cccc(c1=O)O[13CH3] 34a_100000117616_200025704644 [0,1,0,1,0,0|1,0,1]=4 3917 B10R1.2 Cn1cccc(c1=O)O[13CH3] 7a_100000117616_200025704644 [0,1,0,1,0,0|1,0,1]=4 3918 B10R1.16 CCCOC1COC(=O)O1 34a_100000210258_100000032252 [0,1,0,1,0,0|1,0,1]=4 3919 B10R1.16 CCCSC1COC(=O)O1 62a_100000210303_100000032252 [0,1,0,1,0,0|1,0,1]=4 3920 B10R1.16 CCCSc1cc(on1)C 62a_100000210303_100000716708 [0,1,0,1,0,0|2,0,0]=4 3921 B10R1.16 CCCSc1cc(on1)C 62a_100000716708_100000210303 [0,1,0,1,0,0|2,0,0]=4 3922 B10R1.16 CCNC[C@H]1COC(=O)N1 2230a_100015525214_100015307671 [0,1,0,1,0,0|1,0,1]=4 3923 B10R1.16 CCNCc1cc(on1)C 207a_100015525214_100011217994 [0,1,0,1,0,0|2,0,0]=4 3924 B10R1.16 CCNCc1cc(on1)C 2230a_100000745230_100000210202 [0,1,0,1,0,0|2,0,0]=4 3925 B10R1.16 CCNCc1cc(on1)C 2230a_100015525214_100000199038 [0,1,0,1,0,0|2,0,0]=4 3926 B10R1.16 CCNCc1cc(on1)C 270004a_100015525214_100011217994 [0,1,0,1,0,0|2,0,0]=4 3927 B10R1.16 CCNCc1cc(on1)C 34a_100000745230_100000210202 [0,1,0,1,0,0|2,0,0]=4 3928 B10R1.16 CCNN=C1C=C(OC1)C 4a_100000756455_200009860027 [0,1,0,1,0,0|2,0,0]=4 3929 B10R1.16 CCNN=C1COC(=O)C1 4a_100000756455_100000211896 [0,1,0,1,0,0|1,0,1]=4 3930 B10R1.16 CCOCC1=CC(=O)OC1 34a_100121572206_100000716558 [0,1,0,1,0,0|0,0,0]=2 3931 B10R1.16 CCOCC1COC(=O)O1 34a_100121572206_100000073702 [0,1,0,1,0,0|1,0,1]=4 3932 B10R1.16 CCOC[C@H]1COC(=O)N1 34a_100121572206_100015307671 [0,1,0,1,0,0|1,0,1]=4 3933 B10R1.16 CCOCc1cc(on1)C 34a_100011216401_100000210202 [0,1,0,1,0,0|2,0,0]=4 3934 B10R1.16 CCOCc1cc(on1)C 34a_100121572206_100000199038 [0,1,0,1,0,0|2,0,0]=4 3935 B10R1.16 CCSCC1=CC(=O)OC1 62a_100000210202_100000716558 [0,1,0,1,0,0|0,0,0]=2 3936 B10R1.16 CCSCC1=CC(=O)OC1 62a_100000716558_100000210202 [0,1,0,1,0,0|0,0,0]=2 3937 B10R1.16 CCSCC1COC(=O)O1 62a_100000073702_100000210202 [0,1,0,1,0,0|1,0,1]=4 3938 B10R1.16 CCSCC1COC(=O)O1 62a_100000210202_100000073702 [0,1,0,1,0,0|1,0,1]=4 3939 B10R1.16 CCSC[C@H]1COC(=O)N1 62a_100000210202_100015307671 [0,1,0,1,0,0|1,0,1]=4 3940 B10R1.16 CCSC[C@H]1COC(=O)N1 62a_100015307671_100000210202 [0,1,0,1,0,0|1,0,1]=4 3941 B10R1.16 CCSCc1cc(on1)C 62a_100000199038_100000210202 [0,1,0,1,0,0|2,0,0]=4 3942 B10R1.16 CCSCc1cc(on1)C 62a_100000210202_100000199038 [0,1,0,1,0,0|2,0,0]=4 3943 B10R1.16 O=C1C=C(CO1)CSCF 62a_100000716558_100015361967 [0,1,0,1,0,0|1,0,0]=3 3944 B10R1.16 O=C1C=C(CO1)CSCF 62a_100015361967_100000716558 [0,1,0,1,0,0|1,0,0]=3 3945 B10R1.161 COC1C=CCCCCC1 34a_100000688657_200000210301 [0,1,0,1,0,0|1,0,1]=4 3946 B10R1.161 [13CH3]OC1C=CCCCCC1 34a_100000688657_200025704644 [0,1,0,1,0,0|1,0,1]=4 3947 B10R1.172 CC[n+]1cccc(c1)OC 34a_100000731997_200000210301 [0,1,0,1,0,0|1,0,1]=4 3948 B10R1.172 CC[n+]1cccc(c1)OC 7a_100000731997_200000210301 [0,1,0,1,0,0|1,0,1]=4 3949 B10R1.172 CC[n+]1cccc(c1)O[13CH3] 34a_100000731997_200025704644 [0,1,0,1,0,0|1,0,1]=4 3950 B10R1.172 CC[n+]1cccc(c1)O[13CH3] 7a_100000731997_200025704644 [0,1,0,1,0,0|1,0,1]=4 3951 B10R1.172 CCc1cccc(c1)OC 34a_100000211550_200000210301 [0,1,0,1,0,0|1,0,1]=4 3952 B10R1.172 CCc1cccc(c1)OC 7a_100000211550_200000210301 [0,1,0,1,0,0|1,0,1]=4 3953 B10R1.172 CCc1cccc(c1)O[13CH3] 34a_100000211550_200025704644 [0,1,0,1,0,0|1,0,1]=4 3954 B10R1.172 CCc1cccc(c1)O[13CH3] 7a_100000211550_200025704644 [0,1,0,1,0,0|1,0,1]=4 3955 B10R1.172 CCc1cncc(c1)OC 34a_200009861530_200000210301 [0,1,0,1,0,0|1,0,1]=4 3956 B10R1.172 CCc1cncc(c1)OC 7a_200009861530_200000210301 [0,1,0,1,0,0|1,0,1]=4 3957 B10R1.172 CCc1cncc(c1)O[13CH3] 34a_200009861530_200025704644 [0,1,0,1,0,0|1,0,1]=4 3958 B10R1.172 CCc1cncc(c1)O[13CH3] 7a_200009861530_200025704644 [0,1,0,1,0,0|1,0,1]=4 3959 B10R1.175 CCN1CC[C@H]1C(=O)OC 2230a_102516456887_100000210202 [0,1,0,1,0,0|0,0,2]=4 3960 B10R1.175 CCN1CC[C@H]1C(=O)OC 269982a_102516456887_100000204670 [0,1,0,1,0,0|0,0,2]=4 3961 B10R1.23 CC(C)C(=O)C1=CCCC1 1458a_100000038896_100000210206 [0,1,0,1,0,0|1,0,0]=3 3962 B10R1.23 CC(C)C(=O)C1=CCOC1 1458a_100000139269_100000210206 [0,1,0,1,0,0|2,0,0]=4 3963 B10R1.23 CC(C)C(=O)C1=COCC1 1458a_100000750620_100000210206 [0,1,0,1,0,0|2,0,0]=4 3964 B10R1.23 CN(C)C(=O)C1=CCCC1 11a_100102631434_100000038896 [0,1,0,1,0,0|1,0,0]=3 3965 B10R1.23 CN(C)C(=O)C1=CCCC1 1626a_100102631434_100000038896 [0,1,0,1,0,0|1,0,0]=3 3966 B10R1.23 CN(C)C(=O)C1=CCCC1 240690a_100102631434_100000038896 [0,1,0,1,0,0|1,0,0]=3 3967 B10R1.23 CN(C)C(=O)C1=CCOC1 11a_100102631434_100000139269 [0,1,0,1,0,0|2,0,0]=4 3968 B10R1.23 CN(C)C(=O)C1=CCOC1 1626a_100102631434_100000139269 [0,1,0,1,0,0|2,0,0]=4 3969 B10R1.23 CN(C)C(=O)C1=CCOC1 240690a_100102631434_100000139269 [0,1,0,1,0,0|2,0,0]=4 3970 B10R1.23 CN(C)C(=O)C1=COCC1 1626a_100102631434_100000750620 [0,1,0,1,0,0|2,0,0]=4 3971 B10R1.23 CN(C)C(=O)C1=COCC1 240690a_100102631434_100000750620 [0,1,0,1,0,0|2,0,0]=4 3972 B10R1.204 CC(C)C(=O)C=C1CCC1 1458a_100000686340_100000210206 [0,1,0,1,0,0|1,0,0]=3 3973 B10R1.204 CN(C)C(=O)C=C1CCC1 11a_100102631434_100000686340 [0,1,0,1,0,0|1,0,0]=3 3974 B10R1.204 CN(C)C(=O)C=C1CCC1 240690a_100102631434_100000686340 [0,1,0,1,0,0|1,0,0]=3 3975 B10R1.205 CC(C)C(=O)C=CC1CC1 1458a_100102529529_100000210206 [0,1,0,1,0,0|1,0,0]=3 3976 B10R1.205 CN(C)C(=O)C=CC1CC1 11a_100102631434_100102529529 [0,1,0,1,0,0|1,0,0]=3 3977 B10R1.205 CN(C)C(=O)C=CC1CC1 1626a_100102631434_100102529529 [0,1,0,1,0,0|1,0,0]=3 3978 B10R1.205 CN(C)C(=O)C=CC1CC1 240690a_100102631434_100102529529 [0,1,0,1,0,0|1,0,0]=3