0 B7R0.3 C#CC(=O)CCCC 1458a_100000211873_100000210211 [0,0,0,0,0,0|3,0,1]=4 1 B7R0.3 C#CC(=O)CCCF 1458a_100000211873_100011934791 [0,0,0,0,0,0|3,0,1]=4 2 B7R0.3 C#CC(=O)CCCO 1458a_100000211873_100011215043 [0,0,0,0,0,0|2,0,1]=3 3 B7R0.3 C#CCCC(=O)CC 1458a_100000210414_100000753159 [0,0,0,0,0,0|3,0,1]=4 4 B7R0.3 C#CCCC(=O)CC 1458a_100000692101_100000210202 [0,0,0,0,0,0|3,0,1]=4 5 B7R0.3 C#CCCC(=O)CF 1458a_100000692101_100015361967 [0,0,0,0,0,0|3,0,1]=4 6 B7R0.3 C#CCCC(=O)CO 1458a_100000210174_100000753159 [0,0,0,0,0,0|3,0,1]=4 7 B7R0.3 C#CCNC(=O)CC 11a_100000212058_100000210414 [0,0,0,0,0,0|3,0,1]=4 8 B7R0.3 C#CCNC(=O)CC 1626a_100000212058_100000210414 [0,0,0,0,0,0|3,0,1]=4 9 B7R0.3 C#CCNC(=O)CC 240690a_100000212058_100000210414 [0,0,0,0,0,0|3,0,1]=4 10 B7R0.3 C#CCNC(=O)CC 527a_100000212058_100000210414 [0,0,0,0,0,0|3,0,1]=4 11 B7R0.3 C#CCNC(=O)CO 240690a_100000212058_100000210174 [0,0,0,0,0,0|3,0,1]=4 12 B7R0.3 C#CCNC(=O)CO 527a_100000212058_100000210174 [0,0,0,0,0,0|3,0,1]=4 13 B7R0.3 C#CCOC(C)CN 34a_100000210904_100000184674 [0,0,0,0,0,0|2,0,2]=4 14 B7R0.3 C#C[C@@H](C)OCCO 34a_100009815206_100000211926 [0,0,0,0,0,0|2,0,2]=4 15 B7R0.3 C#C[C@@H](C)OCCO 7a_100009815206_100000211926 [0,0,0,0,0,0|2,0,2]=4 16 B7R0.3 C=CC(=O)CCCC 1458a_100000185746_100000210211 [0,0,0,0,0,0|3,0,1]=4 17 B7R0.3 C=CC(=O)CCCF 1458a_100000185746_100011934791 [0,0,0,0,0,0|3,0,1]=4 18 B7R0.3 C=CC(=O)CCCO 1458a_100000185746_100011215043 [0,0,0,0,0,0|2,0,1]=3 19 B7R0.3 C=CC(=O)NCCC 1626a_100020643023_100000185746 [0,0,0,0,0,0|3,0,1]=4 20 B7R0.3 C=CC(=O)NCCC 240690a_100020643023_200121576911 [0,0,0,0,0,0|3,0,1]=4 21 B7R0.3 C=CC(=O)NCCF 1626a_100000724931_100000185746 [0,0,0,0,0,0|3,0,1]=4 22 B7R0.3 C=CC(=O)NCCF 240690a_100000724931_200121576911 [0,0,0,0,0,0|3,0,1]=4 23 B7R0.3 C=CC(=O)NCCO 240690a_100000210304_200121576911 [0,0,0,0,0,0|2,0,1]=3 24 B7R0.3 C=CC(C)OCCO 34a_100000695699_100000211926 [0,0,0,0,0,0|2,0,2]=4 25 B7R0.3 C=CCCC(=O)CC 1458a_100000210414_100000754431 [0,0,0,0,0,0|3,0,1]=4 26 B7R0.3 C=CCCC(=O)CC 1458a_100000749702_100000210202 [0,0,0,0,0,0|3,0,1]=4 27 B7R0.3 C=CCCC(=O)CF 1458a_100000749702_100015361967 [0,0,0,0,0,0|3,0,1]=4 28 B7R0.3 C=CCCC(=O)CO 1458a_100000210174_100000754431 [0,0,0,0,0,0|3,0,1]=4 29 B7R0.3 C=CCNC(=O)CC 1626a_100020586998_100000210414 [0,0,0,0,0,0|3,0,1]=4 30 B7R0.3 C=CCNC(=O)CC 240690a_100020586998_100000210414 [0,0,0,0,0,0|3,0,1]=4 31 B7R0.3 C=CCNC(=O)CC 527a_100020586998_100000210414 [0,0,0,0,0,0|3,0,1]=4 32 B7R0.3 C=CCNC(=O)CO 240690a_100020586998_100000210174 [0,0,0,0,0,0|3,0,1]=4 33 B7R0.3 C=CCNC(=O)CO 527a_100020586998_100000210174 [0,0,0,0,0,0|3,0,1]=4 34 B7R0.3 C=CCOC(C)CN 34a_100000210904_100015514636 [0,0,0,0,0,0|2,0,2]=4 35 B7R0.3 CC(C#N)OCCO 34a_100011218135_100000211926 [0,0,0,0,0,0|1,0,3]=4 36 B7R0.3 CC(CF)OCCF 34a_100016041109_100011217306 [0,0,0,0,0,0|3,0,1]=4 37 B7R0.3 CC(CF)OCCF 7a_100016041109_100011217306 [0,0,0,0,0,0|3,0,1]=4 38 B7R0.3 CC(CF)OCCO 34a_100016041109_100000211926 [0,0,0,0,0,0|2,0,1]=3 39 B7R0.3 CC(CF)OCCO 7a_100016041109_100000211926 [0,0,0,0,0,0|2,0,1]=3 40 B7R0.3 CC(CN)OCC=O 34a_100000210904_200009817547 [0,0,0,0,0,0|1,0,3]=4 41 B7R0.3 CC(CN)OCCF 34a_100000210904_100011217306 [0,0,0,0,0,0|2,0,1]=3 42 B7R0.3 CC(CN)OCCO 34a_100000210904_100000211926 [0,0,0,0,0,0|1,0,1]=2 43 B7R0.3 CC(CO)NCCO 2230a_100016997473_100012180447 [0,0,0,0,0,0|3,0,1]=4 44 B7R0.3 CC(CO)NCCO 34a_100016990907_100012180447 [0,0,0,0,0,0|3,0,1]=4 45 B7R0.3 CC(CO)OCCBr 34a_100000211926_100012180447 [0,0,0,0,0,0|3,0,1]=4 46 B7R0.3 CC(CO)OCCN 34a_100000210304_100012180447 [0,0,0,0,0,0|3,0,1]=4 47 B7R0.3 CC(CO)SCCO 62a_100012180447_100000211926 [0,0,0,0,0,0|2,1,1]=4 48 B7R0.3 CCC#CC(=O)CC 1458a_100011827653_100000210202 [0,0,0,0,0,0|3,0,1]=4 49 B7R0.3 CCC#CC(=O)CF 1458a_100011827653_100015361967 [0,0,0,0,0,0|3,0,1]=4 50 B7R0.3 CCC(=O)C#CCO 1458a_100000049017_100000210202 [0,0,0,0,0,0|2,0,1]=3 51 B7R0.3 CCC(=O)CCC#N 1458a_100000210414_100011215226 [0,0,0,0,0,0|3,0,1]=4 52 B7R0.3 CCC(=O)CCC#N 1458a_100011934036_100000210202 [0,0,0,0,0,0|3,0,1]=4 53 B7R0.3 CCC(=O)CCCF 1458a_100000210414_100011934791 [0,0,0,0,0,0|3,0,0]=3 54 B7R0.3 CCC(=O)CCCO 1458a_100000210414_100011215043 [0,0,0,0,0,0|2,0,0]=2 55 B7R0.3 CCC(=O)CCOC 1458a_100000210414_100000233755 [0,0,0,0,0,0|4,0,0]=4 56 B7R0.3 CCC(=O)CCOC 1458a_100000749529_100000210202 [0,0,0,0,0,0|4,0,0]=4 57 B7R0.3 CCC(=O)CCSC 1458a_100000174002_100000210202 [0,0,0,0,0,0|4,0,0]=4 58 B7R0.3 CCC(=O)CCSC 1458a_100000210414_100000751147 [0,0,0,0,0,0|4,0,0]=4 59 B7R0.3 CCC(=O)COCF 34a_100000725409_100015361967 [0,0,0,0,0,0|4,0,0]=4 60 B7R0.3 CCC(=O)CSCF 62a_100000747405_100015361967 [0,0,0,0,0,0|4,0,0]=4 61 B7R0.3 CCC(=O)CSCF 62a_100015361967_100000747405 [0,0,0,0,0,0|4,0,0]=4 62 B7R0.3 CCC(=O)NCC#N 1626a_100000734998_100000210414 [0,0,0,0,0,0|3,0,1]=4 63 B7R0.3 CCC(=O)NCC#N 527a_100000734998_100000210414 [0,0,0,0,0,0|3,0,1]=4 64 B7R0.3 CCC(=O)NCCF 11a_100000724931_100000210414 [0,0,0,0,0,0|3,0,0]=3 65 B7R0.3 CCC(=O)NCCF 1626a_100000724931_100000210414 [0,0,0,0,0,0|3,0,0]=3 66 B7R0.3 CCC(=O)NCCF 240690a_100000724931_100000210414 [0,0,0,0,0,0|3,0,0]=3 67 B7R0.3 CCC(=O)NCCF 527a_100000724931_100000210414 [0,0,0,0,0,0|3,0,0]=3 68 B7R0.3 CCC(=O)NCCO 240690a_100000210304_100000210414 [0,0,0,0,0,0|2,0,0]=2 69 B7R0.3 CCC(=O)NCCO 527a_100000210304_100000210414 [0,0,0,0,0,0|2,0,0]=2 70 B7R0.3 CCC(C)NCCO 2230a_100000209981_100000211926 [0,0,0,0,0,0|3,0,1]=4 71 B7R0.3 CCC(C)NCCO 2230a_100016997473_100000758301 [0,0,0,0,0,0|3,0,1]=4 72 B7R0.3 CCC(C)NCCO 34a_100016990907_100011215416 [0,0,0,0,0,0|3,0,1]=4 73 B7R0.3 CCC(C)OCCBr 34a_100000211926_100011215416 [0,0,0,0,0,0|3,0,1]=4 74 B7R0.3 CCC(C)OCCF 7a_100000210228_100011217306 [0,0,0,0,0,0|3,0,1]=4 75 B7R0.3 CCC(C)OCCN 34a_100000210304_100011215416 [0,0,0,0,0,0|3,0,1]=4 76 B7R0.3 CCC(C)OCCO 7a_100000210228_100000211926 [0,0,0,0,0,0|2,0,1]=3 77 B7R0.3 CCC(C)SCCO 62a_100000211926_100000758301 [0,0,0,0,0,0|2,1,1]=4 78 B7R0.3 CCC(C)SCCO 62a_100000758301_100000211926 [0,0,0,0,0,0|2,1,1]=4 79 B7R0.3 CCC=CC(=O)CC 1458a_100000212282_100000210202 [0,0,0,0,0,0|3,0,1]=4 80 B7R0.3 CCC=CC(=O)CF 1458a_100000212282_100015361967 [0,0,0,0,0,0|3,0,1]=4 81 B7R0.3 CCCCC(=O)CC 1458a_100000210183_100000210202 [0,0,0,0,0,0|3,0,0]=3 82 B7R0.3 CCCCC(=O)CC 1458a_100000210414_100000210211 [0,0,0,0,0,0|3,0,0]=3 83 B7R0.3 CCCCC(=O)CF 1458a_100000210183_100015361967 [0,0,0,0,0,0|3,0,0]=3 84 B7R0.3 CCCCC(=O)CO 1458a_100000210174_100000210211 [0,0,0,0,0,0|3,0,0]=3 85 B7R0.3 CCCCC(=O)NC 11a_106832991635_100000210183 [0,0,0,0,0,0|4,0,0]=4 86 B7R0.3 CCCCC(=O)NC 1626a_100102657272_100000210183 [0,0,0,0,0,0|4,0,0]=4 87 B7R0.3 CCCCC(=O)NC 240690a_100102657272_100000210183 [0,0,0,0,0,0|4,0,0]=4 88 B7R0.3 CCCCC(=O)NC 527a_100102657272_100000210183 [0,0,0,0,0,0|4,0,0]=4 89 B7R0.3 CCCNC(=O)CC 11a_100020643023_100000210414 [0,0,0,0,0,0|3,0,0]=3 90 B7R0.3 CCCNC(=O)CC 1626a_100020643023_100000210414 [0,0,0,0,0,0|3,0,0]=3 91 B7R0.3 CCCNC(=O)CC 240690a_100020643023_100000210414 [0,0,0,0,0,0|3,0,0]=3 92 B7R0.3 CCCNC(=O)CC 527a_100020643023_100000210414 [0,0,0,0,0,0|3,0,0]=3 93 B7R0.3 CCCNC(=O)CO 240690a_100020643023_100000210174 [0,0,0,0,0,0|3,0,0]=3 94 B7R0.3 CCCNC(=O)CO 527a_100020643023_100000210174 [0,0,0,0,0,0|3,0,0]=3 95 B7R0.3 CCCNC(=O)NC 2708a_100020643023_106832991635 [0,0,0,0,0,0|4,0,0]=4 96 B7R0.3 CCCNC(=O)NC 2708a_100102657272_100020643023 [0,0,0,0,0,0|4,0,0]=4 97 B7R0.3 CCCNC(=O)NC 273464a_100020643023_100102657272 [0,0,0,0,0,0|4,0,0]=4 98 B7R0.3 CCCNC(=O)NC 273464a_100102657272_100020643023 [0,0,0,0,0,0|4,0,0]=4 99 B7R0.3 CCCNC(=O)NC 512a_100020643023_100102657272 [0,0,0,0,0,0|4,0,0]=4 100 B7R0.3 CCCNC(=O)NC 512a_106832991638_100020643023 [0,0,0,0,0,0|4,0,0]=4 101 B7R0.3 CCCOC(C)CC 34a_100000210258_100011215416 [0,0,0,0,0,0|3,0,1]=4 102 B7R0.3 CCCOC(C)CC 7a_100000210228_100000210303 [0,0,0,0,0,0|3,0,1]=4 103 B7R0.3 CCCOC(C)CF 34a_100016041109_100000210303 [0,0,0,0,0,0|3,0,1]=4 104 B7R0.3 CCCOC(C)CF 7a_100016041109_100000210303 [0,0,0,0,0,0|3,0,1]=4 105 B7R0.3 CCCOC(C)CN 34a_100000210904_100000210303 [0,0,0,0,0,0|2,0,1]=3 106 B7R0.3 CCCOC(C)CO 34a_100000210258_100012180447 [0,0,0,0,0,0|3,0,1]=4 107 B7R0.3 CCN(C)CCCO 2230a_100000213112_100000210202 [0,0,0,0,0,0|4,0,0]=4 108 B7R0.3 CCN(C)CCCO 2230a_100000225621_100000230001 [0,0,0,0,0,0|4,0,0]=4 109 B7R0.3 CCN(C)CCCO 269982a_100000213112_100000204670 [0,0,0,0,0,0|4,0,0]=4 110 B7R0.3 CCN(C)CCCO 269982a_100000225621_100011215043 [0,0,0,0,0,0|4,0,0]=4 111 B7R0.3 CCNNC(=O)CC 22a_100000756455_100000210414 [0,0,0,0,0,0|4,0,0]=4 112 B7R0.3 CCNNC(=O)CO 22a_100000756455_100000210174 [0,0,0,0,0,0|4,0,0]=4 113 B7R0.3 CCOCC(=O)CC 1458a_100000211967_100000210202 [0,0,0,0,0,0|4,0,0]=4 114 B7R0.3 CCOCC(=O)CC 34a_100000725409_100000210202 [0,0,0,0,0,0|4,0,0]=4 115 B7R0.3 CCOCC(=O)CF 1458a_100000211967_100015361967 [0,0,0,0,0,0|4,0,0]=4 116 B7R0.3 CCSCC(=O)CC 1458a_100000230394_100000210202 [0,0,0,0,0,0|4,0,0]=4 117 B7R0.3 CCSCC(=O)CC 62a_100000210202_100000747405 [0,0,0,0,0,0|4,0,0]=4 118 B7R0.3 CCSCC(=O)CC 62a_100000747405_100000210202 [0,0,0,0,0,0|4,0,0]=4 119 B7R0.3 CCSCC(=O)CF 1458a_100000230394_100015361967 [0,0,0,0,0,0|4,0,0]=4 120 B7R0.3 CN(CF)CCCO 269982a_100000213112_100015361967 [0,0,0,0,0,0|4,0,0]=4 121 B7R0.3 CNC(=O)NCCF 2708a_100102657272_100000724931 [0,0,0,0,0,0|4,0,0]=4 122 B7R0.3 CNC(=O)NCCF 273464a_100000724931_100102657272 [0,0,0,0,0,0|4,0,0]=4 123 B7R0.3 CNC(=O)NCCF 273464a_100102657272_100000724931 [0,0,0,0,0,0|4,0,0]=4 124 B7R0.3 CNC(=O)NCCF 512a_106832991638_100000724931 [0,0,0,0,0,0|4,0,0]=4 125 B7R0.3 CNC(=O)NCCO 2708a_100102657272_100000210304 [0,0,0,0,0,0|3,0,0]=3 126 B7R0.3 CNC(=O)NCCO 273464a_100000210304_100102657272 [0,0,0,0,0,0|3,0,0]=3 127 B7R0.3 CNC(=O)NCCO 273464a_100102657272_100000210304 [0,0,0,0,0,0|3,0,0]=3 128 B7R0.3 CNC(=O)NCCO 512a_106832991638_100000210304 [0,0,0,0,0,0|3,0,0]=3 129 B7R0.3 COC(=O)OCSC 62a_200000210301_100000139417 [0,0,0,0,0,0|4,0,0]=4 130 B7R0.3 COC(=O)OCS[13CH3] 62a_200025704644_100000139417 [0,0,0,0,0,0|4,0,0]=4 131 B7R0.3 COCCC(=O)CF 1458a_100000749529_100015361967 [0,0,0,0,0,0|4,0,0]=4 132 B7R0.3 COCCC(=O)CO 1458a_100000210174_100000233755 [0,0,0,0,0,0|4,0,0]=4 133 B7R0.3 CSCCC(=O)CF 1458a_100000174002_100015361967 [0,0,0,0,0,0|4,0,0]=4 134 B7R0.3 CSCCC(=O)CO 1458a_100000210174_100000751147 [0,0,0,0,0,0|4,0,0]=4 135 B7R0.3 CSCOC(C)CN 34a_100000210904_100011218213 [0,0,0,0,0,0|3,0,1]=4 136 B7R0.3 C[C@H](CO)NCCO 2230a_100000737577_100000211926 [0,0,0,0,0,0|3,0,1]=4 137 B7R0.3 C[C@H](CO)SCCO 62a_100000211926_100016084084 [0,0,0,0,0,0|2,1,1]=4 138 B7R0.3 C[C@H](CO)SCCO 62a_100016084084_100000211926 [0,0,0,0,0,0|2,1,1]=4 139 B7R0.3 N#CCCC(=O)CF 1458a_100011934036_100015361967 [0,0,0,0,0,0|3,0,1]=4 140 B7R0.3 N#CCCC(=O)CO 1458a_100000210174_100011215226 [0,0,0,0,0,0|3,0,1]=4 141 B7R0.3 N#CCNC(=O)CO 527a_100000734998_100000210174 [0,0,0,0,0,0|3,0,1]=4 142 B7R0.3 O=C(C#CCO)CF 1458a_100000049017_100015361967 [0,0,0,0,0,0|2,0,1]=3 143 B7R0.3 O=C(CO)CCCF 1458a_100000210174_100011934791 [0,0,0,0,0,0|3,0,0]=3 144 B7R0.3 O=C(CO)CCCO 1458a_100000210174_100011215043 [0,0,0,0,0,0|2,0,0]=2 145 B7R0.3 O=C(CO)NCCF 240690a_100000724931_100000210174 [0,0,0,0,0,0|3,0,0]=3 146 B7R0.3 O=C(CO)NCCF 527a_100000724931_100000210174 [0,0,0,0,0,0|3,0,0]=3 147 B7R0.3 O=C(CO)NCCO 240690a_100000210304_100000210174 [0,0,0,0,0,0|2,0,0]=2 148 B7R0.3 O=C(CO)NCCO 527a_100000210304_100000210174 [0,0,0,0,0,0|2,0,0]=2 149 B6R0.1 C#CC(=O)CCC 1458a_100000211873_100000210303 [1,0,0,0,0,0|2,0,1]=4 150 B6R0.1 C#CC(=O)CCF 1458a_100000211873_100011217306 [1,0,0,0,0,0|2,0,1]=4 151 B6R0.1 C#CC(=O)CCO 1458a_100000211873_100000211926 [1,0,0,0,0,0|1,0,1]=3 152 B6R0.1 C#CCC(=O)CC 1458a_100000210414_100000184674 [1,0,0,0,0,0|2,0,1]=4 153 B6R0.1 C#CCC(=O)CC 1458a_100011220946_100000210202 [1,0,0,0,0,0|2,0,1]=4 154 B6R0.1 C#CCC(=O)CF 1458a_100011220946_100015361967 [1,0,0,0,0,0|2,0,1]=4 155 B6R0.1 C#CCC(=O)CO 1458a_100000210174_100000184674 [1,0,0,0,0,0|2,0,1]=4 156 B6R0.1 C=CC(=O)CCC 1458a_100000185746_100000210303 [1,0,0,0,0,0|2,0,1]=4 157 B6R0.1 C=CC(=O)CCF 1458a_100000185746_100011217306 [1,0,0,0,0,0|2,0,1]=4 158 B6R0.1 C=CC(=O)CCO 1458a_100000185746_100000211926 [1,0,0,0,0,0|1,0,1]=3 159 B6R0.1 C=CC(=O)NCC 240690a_100015525214_200121576911 [1,0,0,0,0,0|2,0,1]=4 160 B6R0.1 C=CCC(=O)CC 1458a_100000210193_100000210202 [1,0,0,0,0,0|2,0,1]=4 161 B6R0.1 C=CCC(=O)CC 1458a_100000210414_100000210623 [1,0,0,0,0,0|2,0,1]=4 162 B6R0.1 C=CCC(=O)CF 1458a_100000210193_100015361967 [1,0,0,0,0,0|2,0,1]=4 163 B6R0.1 C=CCC(=O)CO 1458a_100000210174_100000210623 [1,0,0,0,0,0|2,0,1]=4 164 B6R0.1 CC#CC(=O)CC 1458a_100000763181_100000210202 [1,0,0,0,0,0|2,0,1]=4 165 B6R0.1 CC#CC(=O)CF 1458a_100000763181_100015361967 [1,0,0,0,0,0|2,0,1]=4 166 B6R0.1 CC(CN)OCF 34a_100000210904_100015361967 [1,0,0,0,0,0|2,0,1]=4 167 B6R0.1 CC=CC(=O)CC 1458a_100000210699_100000210202 [1,0,0,0,0,0|2,0,1]=4 168 B6R0.1 CC=CC(=O)CF 1458a_100000210699_100015361967 [1,0,0,0,0,0|2,0,1]=4 169 B6R0.1 CCC(=O)CC#N 1458a_100000210414_100011214920 [1,0,0,0,0,0|2,0,1]=4 170 B6R0.1 CCC(=O)CC#N 1458a_100051588842_100000210202 [1,0,0,0,0,0|2,0,1]=4 171 B6R0.1 CCC(=O)CCF 1458a_100000210414_100011217306 [1,0,0,0,0,0|2,0,0]=3 172 B6R0.1 CCC(=O)CCO 1458a_100000210414_100000211926 [1,0,0,0,0,0|1,0,0]=2 173 B6R0.1 CCC(=O)CCO 1458a_100011216618_100000210202 [1,0,0,0,0,0|1,0,0]=2 174 B6R0.1 CCC(=O)CNC 7a_106832991635_100000747405 [1,0,0,0,0,0|3,0,0]=4 175 B6R0.1 CCC(=O)COC 1458a_100000210968_100000210202 [1,0,0,0,0,0|3,0,0]=4 176 B6R0.1 CCC(=O)COC 34a_100000725409_200000210301 [1,0,0,0,0,0|3,0,0]=4 177 B6R0.1 CCC(=O)CO[13CH3] 34a_100000725409_200025704644 [1,0,0,0,0,0|3,0,0]=4 178 B6R0.1 CCC(=O)CSC 1458a_100000184570_100000210202 [1,0,0,0,0,0|3,0,0]=4 179 B6R0.1 CCC(=O)CSC 62a_100000747405_200000210301 [1,0,0,0,0,0|3,0,0]=4 180 B6R0.1 CCC(=O)CSC 62a_200000210301_100000747405 [1,0,0,0,0,0|3,0,0]=4 181 B6R0.1 CCC(=O)CS[13CH3] 62a_100000747405_200025704644 [1,0,0,0,0,0|3,0,0]=4 182 B6R0.1 CCC(=O)CS[13CH3] 62a_200025704644_100000747405 [1,0,0,0,0,0|3,0,0]=4 183 B6R0.1 CCC(=O)NNC 22a_100016993582_100000210414 [1,0,0,0,0,0|3,0,0]=4 184 B6R0.1 CCCC(=O)CC 1458a_100000210414_100000210303 [1,0,0,0,0,0|2,0,0]=3 185 B6R0.1 CCCC(=O)CC 1458a_100000211992_100000210202 [1,0,0,0,0,0|2,0,0]=3 186 B6R0.1 CCCC(=O)CF 1458a_100000211992_100015361967 [1,0,0,0,0,0|2,0,0]=3 187 B6R0.1 CCCC(=O)CO 1458a_100000210174_100000210303 [1,0,0,0,0,0|2,0,0]=3 188 B6R0.1 CCCC(=O)NC 11a_106832991635_100000211992 [1,0,0,0,0,0|3,0,0]=4 189 B6R0.1 CCCC(=O)NC 1626a_100102657272_100000211992 [1,0,0,0,0,0|3,0,0]=4 190 B6R0.1 CCCC(=O)NC 240690a_100102657272_100000211992 [1,0,0,0,0,0|3,0,0]=4 191 B6R0.1 CCCC(=O)NC 527a_100102657272_100000211992 [1,0,0,0,0,0|3,0,0]=4 192 B6R0.1 CCN(C)CCO 2230a_100000210263_100000210202 [1,0,0,0,0,0|3,0,0]=4 193 B6R0.1 CCN(C)CCO 2230a_100000210973_200000210301 [1,0,0,0,0,0|3,0,0]=4 194 B6R0.1 CCN(C)CCO 2230a_100000225621_100000211926 [1,0,0,0,0,0|3,0,0]=4 195 B6R0.1 CCN(C)CCO 269982a_100000210263_100000204670 [1,0,0,0,0,0|3,0,0]=4 196 B6R0.1 CCN(C)CCO 269982a_100000210973_200000210301 [1,0,0,0,0,0|3,0,0]=4 197 B6R0.1 CCN(C)CCO 269982a_100000225621_100000211926 [1,0,0,0,0,0|3,0,0]=4 198 B6R0.1 CCN([13CH3])CCO 2230a_100000210973_200025704644 [1,0,0,0,0,0|3,0,0]=4 199 B6R0.1 CCN([13CH3])CCO 269982a_100000210973_200025704644 [1,0,0,0,0,0|3,0,0]=4 200 B6R0.1 CCNC(=O)CC 11a_100015525214_100000210414 [1,0,0,0,0,0|2,0,0]=3 201 B6R0.1 CCNC(=O)CC 240690a_100015525214_100000210414 [1,0,0,0,0,0|2,0,0]=3 202 B6R0.1 CCNC(=O)CC 527a_100015525214_100000210414 [1,0,0,0,0,0|2,0,0]=3 203 B6R0.1 CCNC(=O)CO 240690a_100015525214_100000210174 [1,0,0,0,0,0|2,0,0]=3 204 B6R0.1 CCNC(=O)CO 527a_100015525214_100000210174 [1,0,0,0,0,0|2,0,0]=3 205 B6R0.1 CCNC(=O)NC 2708a_100015525214_106832991635 [1,0,0,0,0,0|3,0,0]=4 206 B6R0.1 CCNC(=O)NC 2708a_100102657272_100015525214 [1,0,0,0,0,0|3,0,0]=4 207 B6R0.1 CCNC(=O)NC 273464a_100015525214_100102657272 [1,0,0,0,0,0|3,0,0]=4 208 B6R0.1 CCNC(=O)NC 273464a_100102657272_100015525214 [1,0,0,0,0,0|3,0,0]=4 209 B6R0.1 CCNC(=O)NC 512a_100015525214_100102657272 [1,0,0,0,0,0|3,0,0]=4 210 B6R0.1 CCNC(=O)NC 512a_106832991638_100015525214 [1,0,0,0,0,0|3,0,0]=4 211 B6R0.1 CCOC(C)CC 34a_100121572206_100011215416 [1,0,0,0,0,0|2,0,1]=4 212 B6R0.1 CCOC(C)CC 7a_100000210228_100000210202 [1,0,0,0,0,0|2,0,1]=4 213 B6R0.1 CCOC(C)CF 34a_100016041109_100000210202 [1,0,0,0,0,0|2,0,1]=4 214 B6R0.1 CCOC(C)CF 7a_100016041109_100000210202 [1,0,0,0,0,0|2,0,1]=4 215 B6R0.1 CCOC(C)CN 34a_100000210904_100000210202 [1,0,0,0,0,0|1,0,1]=3 216 B6R0.1 CCOC(C)CO 34a_100121572206_100012180447 [1,0,0,0,0,0|2,0,1]=4 217 B6R0.1 CN(CF)CCO 269982a_100000210263_100015361967 [1,0,0,0,0,0|3,0,0]=4 218 B6R0.1 CNC(=O)CCO 240690a_100102657272_100011216618 [1,0,0,0,0,0|2,0,0]=3 219 B6R0.1 CNNC(=O)CO 22a_100016993582_100000210174 [1,0,0,0,0,0|3,0,0]=4 220 B6R0.1 COCC(=O)CF 1458a_100000210968_100015361967 [1,0,0,0,0,0|3,0,0]=4 221 B6R0.1 CSCC(=O)CF 1458a_100000184570_100015361967 [1,0,0,0,0,0|3,0,0]=4 222 B6R0.1 N#CCC(=O)CF 1458a_100051588842_100015361967 [1,0,0,0,0,0|2,0,1]=4 223 B6R0.1 N#CCC(=O)CO 1458a_100000210174_100011214920 [1,0,0,0,0,0|2,0,1]=4 224 B6R0.1 O=C(CF)CCO 1458a_100011216618_100015361967 [1,0,0,0,0,0|1,0,0]=2 225 B6R0.1 O=C(CO)CCF 1458a_100000210174_100011217306 [1,0,0,0,0,0|2,0,0]=3 226 B6R0.1 O=C(CO)CCO 1458a_100000210174_100000211926 [1,0,0,0,0,0|1,0,0]=2 227 B6R0.4 C#CCCC(=O)C 1458a_100000070787_100000753159 [1,0,0,0,0,0|2,0,1]=4 228 B6R0.4 C#CCCC(=O)C 1458a_100000692101_200000210301 [1,0,0,0,0,0|2,0,1]=4 229 B6R0.4 C#CCCC(=O)[13CH3] 1458a_100000692101_200025704644 [1,0,0,0,0,0|2,0,1]=4 230 B6R0.4 C#CCNC(=O)C 11a_100000212058_100015343762 [1,0,0,0,0,0|2,0,1]=4 231 B6R0.4 C#CCNC(=O)C 1626a_100000212058_100015343762 [1,0,0,0,0,0|2,0,1]=4 232 B6R0.4 C#CCNC(=O)C 240690a_100000212058_100015343762 [1,0,0,0,0,0|2,0,1]=4 233 B6R0.4 C#CCNC(=O)C 527a_100000212058_100103153847 [1,0,0,0,0,0|2,0,1]=4 234 B6R0.4 C=CCCC(=O)C 1458a_100000070787_100000754431 [1,0,0,0,0,0|2,0,1]=4 235 B6R0.4 C=CCCC(=O)C 1458a_100000749702_200000210301 [1,0,0,0,0,0|2,0,1]=4 236 B6R0.4 C=CCCC(=O)[13CH3] 1458a_100000749702_200025704644 [1,0,0,0,0,0|2,0,1]=4 237 B6R0.4 C=CCNC(=O)C 1626a_100020586998_100015343762 [1,0,0,0,0,0|2,0,1]=4 238 B6R0.4 C=CCNC(=O)C 240690a_100020586998_100015343762 [1,0,0,0,0,0|2,0,1]=4 239 B6R0.4 C=CCNC(=O)C 527a_100020586998_100103153847 [1,0,0,0,0,0|2,0,1]=4 240 B6R0.4 CC(=O)C#CCO 1458a_100000049017_200000210301 [1,0,0,0,0,0|1,0,1]=3 241 B6R0.4 CC(=O)CCC#N 1458a_100000070787_100011215226 [1,0,0,0,0,0|2,0,1]=4 242 B6R0.4 CC(=O)CCC#N 1458a_100011934036_200000210301 [1,0,0,0,0,0|2,0,1]=4 243 B6R0.4 CC(=O)CCCF 1458a_100000070787_100011934791 [1,0,0,0,0,0|2,0,0]=3 244 B6R0.4 CC(=O)CCCO 1458a_100000070787_100011215043 [1,0,0,0,0,0|1,0,0]=2 245 B6R0.4 CC(=O)CCO[13CH3] 34a_100000759926_200025704644 [1,0,0,0,0,0|3,0,0]=4 246 B6R0.4 CC(=O)CCO[13CH3] 7a_100000759926_200025704644 [1,0,0,0,0,0|3,0,0]=4 247 B6R0.4 CC(=O)CCS[13CH3] 62a_100000053229_200025704644 [1,0,0,0,0,0|3,0,0]=4 248 B6R0.4 CC(=O)CCS[13CH3] 62a_200025704644_100000053229 [1,0,0,0,0,0|3,0,0]=4 249 B6R0.4 CC(=O)COCF 34a_100000211253_100015361967 [1,0,0,0,0,0|3,0,0]=4 250 B6R0.4 CC(=O)NCC#N 1626a_100000734998_100015343762 [1,0,0,0,0,0|2,0,1]=4 251 B6R0.4 CC(=O)NCC#N 527a_100000734998_100103153847 [1,0,0,0,0,0|2,0,1]=4 252 B6R0.4 CC(=O)NCCF 11a_100000724931_100015343762 [1,0,0,0,0,0|2,0,0]=3 253 B6R0.4 CC(=O)NCCF 1626a_100000724931_100015343762 [1,0,0,0,0,0|2,0,0]=3 254 B6R0.4 CC(=O)NCCF 240690a_100000724931_100015343762 [1,0,0,0,0,0|2,0,0]=3 255 B6R0.4 CC(=O)NCCF 527a_100000724931_100103153847 [1,0,0,0,0,0|2,0,0]=3 256 B6R0.4 CC(=O)NCCO 240690a_100000210304_100015343762 [1,0,0,0,0,0|1,0,0]=2 257 B6R0.4 CC(=O)NCCO 527a_100000210304_100103153847 [1,0,0,0,0,0|1,0,0]=2 258 B6R0.4 CC(=O)OCS[13CH3] 62a_100000076356_200025704644 [1,0,0,0,0,0|2,0,0]=3 259 B6R0.4 CC(=O)OCS[13CH3] 62a_200025704644_100000076356 [1,0,0,0,0,0|2,0,0]=3 260 B6R0.4 CC(C)NCCO 2230a_100016997473_100000210206 [1,0,0,0,0,0|2,0,1]=4 261 B6R0.4 CC(C)NCCO 2230a_100138425928_100000211926 [1,0,0,0,0,0|2,0,1]=4 262 B6R0.4 CC(C)NCCO 34a_100016990907_100000210206 [1,0,0,0,0,0|2,0,1]=4 263 B6R0.4 CC(C)NCCO 34a_100138425928_100000211926 [1,0,0,0,0,0|2,0,1]=4 264 B6R0.4 CC(C)OCCBr 34a_100000211926_100000210206 [1,0,0,0,0,0|2,0,1]=4 265 B6R0.4 CC(C)OCCF 34a_100000212225_100011217306 [1,0,0,0,0,0|2,0,1]=4 266 B6R0.4 CC(C)OCCN 34a_100000210304_100000210206 [1,0,0,0,0,0|2,0,1]=4 267 B6R0.4 CC(C)OCCO 34a_100000212225_100000211926 [1,0,0,0,0,0|1,0,1]=3 268 B6R0.4 CC(C)SCCO 62a_100000210206_100000211926 [1,0,0,0,0,0|1,1,1]=4 269 B6R0.4 CC(C)SCCO 62a_100000211926_100000210206 [1,0,0,0,0,0|1,1,1]=4 270 B6R0.4 CCC#CC(=O)C 1458a_100011827653_200000210301 [1,0,0,0,0,0|2,0,1]=4 271 B6R0.4 CCC#CC(=O)[13CH3] 1458a_100011827653_200025704644 [1,0,0,0,0,0|2,0,1]=4 272 B6R0.4 CCC=CC(=O)C 1458a_100000212282_200000210301 [1,0,0,0,0,0|2,0,1]=4 273 B6R0.4 CCC=CC(=O)[13CH3] 1458a_100000212282_200025704644 [1,0,0,0,0,0|2,0,1]=4 274 B6R0.4 CCCCC(=O)C 1458a_100000070787_100000210211 [1,0,0,0,0,0|2,0,0]=3 275 B6R0.4 CCCCC(=O)C 1458a_100000210183_200000210301 [1,0,0,0,0,0|2,0,0]=3 276 B6R0.4 CCCCC(=O)[13CH3] 1458a_100000210183_200025704644 [1,0,0,0,0,0|2,0,0]=3 277 B6R0.4 CCCNC(=O)C 11a_100020643023_100015343762 [1,0,0,0,0,0|2,0,0]=3 278 B6R0.4 CCCNC(=O)C 1626a_100020643023_100015343762 [1,0,0,0,0,0|2,0,0]=3 279 B6R0.4 CCCNC(=O)C 240690a_100020643023_100015343762 [1,0,0,0,0,0|2,0,0]=3 280 B6R0.4 CCCNC(=O)C 527a_100020643023_100103153847 [1,0,0,0,0,0|2,0,0]=3 281 B6R0.4 CCCOC(C)C 34a_100000210258_100000210206 [1,0,0,0,0,0|2,0,1]=4 282 B6R0.4 CCCOC(C)C 34a_100000212225_100000210303 [1,0,0,0,0,0|2,0,1]=4 283 B6R0.4 CCNCC(=O)N 2230a_100000711301_100000210202 [1,0,0,0,0,0|3,0,0]=4 284 B6R0.4 CCNCC(=O)N 2230a_100015525214_100000747473 [1,0,0,0,0,0|3,0,0]=4 285 B6R0.4 CCNNC(=O)C 22a_100000756455_100000070787 [1,0,0,0,0,0|3,0,0]=4 286 B6R0.4 CCOCC(=O)C 1458a_100000211967_200000210301 [1,0,0,0,0,0|3,0,0]=4 287 B6R0.4 CCOCC(=O)C 34a_100000211253_100000210202 [1,0,0,0,0,0|3,0,0]=4 288 B6R0.4 CCOCC(=O)N 34a_100121572206_100000187820 [1,0,0,0,0,0|3,0,0]=4 289 B6R0.4 CCOCC(=O)[13CH3] 1458a_100000211967_200025704644 [1,0,0,0,0,0|3,0,0]=4 290 B6R0.4 CCSCC(=O)C 1458a_100000230394_200000210301 [1,0,0,0,0,0|3,0,0]=4 291 B6R0.4 CCSCC(=O)N 62a_100000210202_100000747473 [1,0,0,0,0,0|3,0,0]=4 292 B6R0.4 CCSCC(=O)N 62a_100000747473_100000210202 [1,0,0,0,0,0|3,0,0]=4 293 B6R0.4 CCSCC(=O)[13CH3] 1458a_100000230394_200025704644 [1,0,0,0,0,0|3,0,0]=4 294 B6R0.4 CN(C)CCCO 2230a_100000213112_200000210301 [1,0,0,0,0,0|3,0,0]=4 295 B6R0.4 CN(C)CCCO 2230a_100102631434_100000230001 [1,0,0,0,0,0|3,0,0]=4 296 B6R0.4 CN(C)CCCO 269982a_100000213112_200000210301 [1,0,0,0,0,0|3,0,0]=4 297 B6R0.4 CN(C)CCCO 269982a_100102631434_100011215043 [1,0,0,0,0,0|3,0,0]=4 298 B6R0.4 CN([13CH3])CCCO 2230a_100000213112_200025704644 [1,0,0,0,0,0|3,0,0]=4 299 B6R0.4 CN([13CH3])CCCO 269982a_100000213112_200025704644 [1,0,0,0,0,0|3,0,0]=4 300 B6R0.4 CNCCC(=O)C 7a_106832991635_100000053229 [1,0,0,0,0,0|3,0,0]=4 301 B6R0.4 CNCCC(=O)N 2230a_106832991635_100000744528 [1,0,0,0,0,0|3,0,0]=4 302 B6R0.4 CNCCC(=O)N 34a_100102657272_100000731001 [1,0,0,0,0,0|3,0,0]=4 303 B6R0.4 CNCCC(=O)N 7a_106832991635_100000744528 [1,0,0,0,0,0|3,0,0]=4 304 B6R0.4 CNCOC(=O)C 34a_100102657272_100009813279 [1,0,0,0,0,0|2,0,0]=3 305 B6R0.4 COCCC(=O)C 1458a_100000070787_100000233755 [1,0,0,0,0,0|3,0,0]=4 306 B6R0.4 COCCC(=O)C 1458a_100000749529_200000210301 [1,0,0,0,0,0|3,0,0]=4 307 B6R0.4 COCCC(=O)C 34a_100000759926_200000210301 [1,0,0,0,0,0|3,0,0]=4 308 B6R0.4 COCCC(=O)C 7a_100000759926_200000210301 [1,0,0,0,0,0|3,0,0]=4 309 B6R0.4 COCCC(=O)N 34a_100000757172_200000210301 [1,0,0,0,0,0|3,0,0]=4 310 B6R0.4 COCCC(=O)N 34a_100138415774_100000731001 [1,0,0,0,0,0|3,0,0]=4 311 B6R0.4 COCCC(=O)N 7a_100000757172_200000210301 [1,0,0,0,0,0|3,0,0]=4 312 B6R0.4 COCCC(=O)[13CH3] 1458a_100000749529_200025704644 [1,0,0,0,0,0|3,0,0]=4 313 B6R0.4 COCOC(=O)C 34a_100138415774_100009813279 [1,0,0,0,0,0|2,0,0]=3 314 B6R0.4 CSCCC(=O)C 1458a_100000070787_100000751147 [1,0,0,0,0,0|3,0,0]=4 315 B6R0.4 CSCCC(=O)C 1458a_100000174002_200000210301 [1,0,0,0,0,0|3,0,0]=4 316 B6R0.4 CSCCC(=O)C 62a_100000053229_200000210301 [1,0,0,0,0,0|3,0,0]=4 317 B6R0.4 CSCCC(=O)C 62a_200000210301_100000053229 [1,0,0,0,0,0|3,0,0]=4 318 B6R0.4 CSCCC(=O)N 62a_100000744528_200000210301 [1,0,0,0,0,0|3,0,0]=4 319 B6R0.4 CSCCC(=O)N 62a_200000210301_100000744528 [1,0,0,0,0,0|3,0,0]=4 320 B6R0.4 CSCCC(=O)[13CH3] 1458a_100000174002_200025704644 [1,0,0,0,0,0|3,0,0]=4 321 B6R0.4 CSCOC(=O)C 62a_100000076356_200000210301 [1,0,0,0,0,0|2,0,0]=3 322 B6R0.4 CSCOC(=O)C 62a_200000210301_100000076356 [1,0,0,0,0,0|2,0,0]=3 323 B6R0.4 NC(=O)CSCF 62a_100000747473_100015361967 [1,0,0,0,0,0|3,0,0]=4 324 B6R0.4 NC(=O)CSCF 62a_100015361967_100000747473 [1,0,0,0,0,0|3,0,0]=4 325 B6R0.4 [13CH3]C(=O)C#CCO 1458a_100000049017_200025704644 [1,0,0,0,0,0|1,0,1]=3 326 B6R0.4 [13CH3]C(=O)CCC#N 1458a_100011934036_200025704644 [1,0,0,0,0,0|2,0,1]=4 327 B6R0.4 [13CH3]OCCC(=O)N 34a_100000757172_200025704644 [1,0,0,0,0,0|3,0,0]=4 328 B6R0.4 [13CH3]OCCC(=O)N 7a_100000757172_200025704644 [1,0,0,0,0,0|3,0,0]=4 329 B6R0.4 [13CH3]SCCC(=O)N 62a_100000744528_200025704644 [1,0,0,0,0,0|3,0,0]=4 330 B6R0.4 [13CH3]SCCC(=O)N 62a_200025704644_100000744528 [1,0,0,0,0,0|3,0,0]=4 331 B6R0.6 C#CCOCCN 34a_100000210304_100000184674 [1,0,0,0,0,0|1,0,2]=4 332 B6R0.6 C#CCOCCO 34a_100000210247_100000211926 [1,0,0,0,0,0|1,0,2]=4 333 B6R0.6 C=CCOCCN 34a_100000210304_100015514636 [1,0,0,0,0,0|1,0,2]=4 334 B6R0.6 C=CCOCCO 34a_200000210373_100000211926 [1,0,0,0,0,0|1,0,2]=4 335 B6R0.6 CCCNCCO 2230a_100016997473_100000210303 [1,0,0,0,0,0|2,0,1]=4 336 B6R0.6 CCCNCCO 34a_100016990907_100000210303 [1,0,0,0,0,0|2,0,1]=4 337 B6R0.6 CCCOCCBr 34a_100000211926_100000210303 [1,0,0,0,0,0|2,0,1]=4 338 B6R0.6 CCCOCCC 34a_100000210258_100000210303 [1,0,0,0,0,0|2,0,1]=4 339 B6R0.6 CCCOCCF 34a_100000210258_100011217306 [1,0,0,0,0,0|2,0,1]=4 340 B6R0.6 CCCOCCN 34a_100000210304_100000210303 [1,0,0,0,0,0|1,0,1]=3 341 B6R0.6 CCCOCCO 34a_100000210258_100000211926 [1,0,0,0,0,0|1,0,1]=3 342 B6R0.6 CCCSCCO 62a_100000210303_100000211926 [1,0,0,0,0,0|1,1,1]=4 343 B6R0.6 CCCSCCO 62a_100000211926_100000210303 [1,0,0,0,0,0|1,1,1]=4 344 B6R0.6 CCNCCCO 2230a_100015525214_100000230001 [1,0,0,0,0,0|3,0,0]=4 345 B6R0.6 CCOCCCO 34a_100121572206_100000230001 [1,0,0,0,0,0|3,0,0]=4 346 B6R0.6 CCSCCCO 62a_100000210202_100011215043 [1,0,0,0,0,0|3,0,0]=4 347 B6R0.6 CCSCCCO 62a_100011215043_100000210202 [1,0,0,0,0,0|3,0,0]=4 348 B6R0.6 CSCOCCN 34a_100000210304_100011218213 [1,0,0,0,0,0|2,0,1]=4 349 B6R0.6 FCCOCCBr 34a_100000211926_100011217306 [1,0,0,0,0,0|2,0,1]=4 350 B6R0.6 NCCOCC=O 34a_100000210304_200009817547 [1,0,0,0,0,0|0,0,3]=4 351 B6R0.6 NCCOCCF 34a_100000210304_100011217306 [1,0,0,0,0,0|1,0,1]=3 352 B6R0.6 NCCOCCO 34a_100000210304_100000211926 [1,0,0,0,0,0|0,0,1]=2 353 B6R0.6 OCCCSCF 62a_100011215043_100015361967 [1,0,0,0,0,0|3,0,0]=4 354 B6R0.6 OCCCSCF 62a_100015361967_100011215043 [1,0,0,0,0,0|3,0,0]=4 355 B6R0.6 OCCNCCF 2230a_100016997473_100011217306 [1,0,0,0,0,0|2,0,1]=4 356 B6R0.6 OCCNCCF 34a_100000724931_100000211926 [1,0,0,0,0,0|2,0,1]=4 357 B6R0.6 OCCNCCF 34a_100016990907_100011217306 [1,0,0,0,0,0|2,0,1]=4 358 B6R0.6 OCCNCCO 2230a_100016997473_100000211926 [1,0,0,0,0,0|2,0,1]=4 359 B6R0.6 OCCNCCO 34a_100016990907_100000211926 [1,0,0,0,0,0|2,0,1]=4 360 B6R0.6 OCCOCCBr 34a_100000211926_100000211926 [1,0,0,0,0,0|1,0,1]=3 361 B6R0.6 OCCSCCF 62a_100000211926_100011217306 [1,0,0,0,0,0|1,1,1]=4 362 B6R0.6 OCCSCCF 62a_100011217306_100000211926 [1,0,0,0,0,0|1,1,1]=4 363 B6R0.6 OCCSCCO 62a_100000211926_100000211926 [1,0,0,0,0,0|1,1,1]=4 364 B8R0.1 C#CCC(=O)C#CCO 1458a_100000049017_100000184674 [0,1,0,0,0,0|2,0,1]=4 365 B8R0.1 C#CCC(=O)CCCC 1458a_100000210183_100000184674 [0,1,0,0,0,0|3,0,0]=4 366 B8R0.1 C#CCC(=O)CCCC 1458a_100011220946_100000210211 [0,1,0,0,0,0|3,0,0]=4 367 B8R0.1 C#CCC(=O)CCCF 1458a_100011220946_100011934791 [0,1,0,0,0,0|3,0,0]=4 368 B8R0.1 C#CCC(=O)CCCO 1458a_100011220946_100011215043 [0,1,0,0,0,0|2,0,0]=3 369 B8R0.1 C#CCC(=O)NCCC 1626a_100020643023_100011220946 [0,1,0,0,0,0|3,0,0]=4 370 B8R0.1 C#CCC(=O)NCCC 527a_100020643023_100011220946 [0,1,0,0,0,0|3,0,0]=4 371 B8R0.1 C#CCC(=O)NCCF 1626a_100000724931_100011220946 [0,1,0,0,0,0|3,0,0]=4 372 B8R0.1 C#CCC(=O)NCCF 527a_100000724931_100011220946 [0,1,0,0,0,0|3,0,0]=4 373 B8R0.1 C#CCC(=O)NCCO 527a_100000210304_100011220946 [0,1,0,0,0,0|2,0,0]=3 374 B8R0.1 C#CCC(C)OCCO 34a_100000685586_100000211926 [0,1,0,0,0,0|2,0,1]=4 375 B8R0.1 C#CCC(C)OCCO 7a_100000685586_100000211926 [0,1,0,0,0,0|2,0,1]=4 376 B8R0.1 C#CCNC(=O)CNC 2230a_100000747989_200000210301 [0,1,0,0,0,0|2,0,1]=4 377 B8R0.1 C#CCNC(=O)CNC 34a_100000747989_200000210301 [0,1,0,0,0,0|2,0,1]=4 378 B8R0.1 C#CCNC(=O)CN[13CH3] 2230a_100000747989_200025704644 [0,1,0,0,0,0|2,0,1]=4 379 B8R0.1 C#CCNC(=O)CN[13CH3] 34a_100000747989_200025704644 [0,1,0,0,0,0|2,0,1]=4 380 B8R0.1 C=C(CNC)OCOC 34a_100102657272_100000042856 [0,1,0,0,0,0|3,0,0]=4 381 B8R0.1 C=CCC(=O)C#CCO 1458a_100000049017_100000210623 [0,1,0,0,0,0|2,0,1]=4 382 B8R0.1 C=CCC(=O)CCCC 1458a_100000210183_100000210623 [0,1,0,0,0,0|3,0,0]=4 383 B8R0.1 C=CCC(=O)CCCC 1458a_100000210193_100000210211 [0,1,0,0,0,0|3,0,0]=4 384 B8R0.1 C=CCC(=O)CCCF 1458a_100000210193_100011934791 [0,1,0,0,0,0|3,0,0]=4 385 B8R0.1 C=CCC(=O)CCCO 1458a_100000210193_100011215043 [0,1,0,0,0,0|2,0,0]=3 386 B8R0.1 C=CCC(=O)NCCC 11a_100020643023_100000210193 [0,1,0,0,0,0|3,0,0]=4 387 B8R0.1 C=CCC(=O)NCCC 1626a_100020643023_100000210193 [0,1,0,0,0,0|3,0,0]=4 388 B8R0.1 C=CCC(=O)NCCC 240690a_100020643023_100000210193 [0,1,0,0,0,0|3,0,0]=4 389 B8R0.1 C=CCC(=O)NCCC 527a_100020643023_100000210193 [0,1,0,0,0,0|3,0,0]=4 390 B8R0.1 C=CCC(=O)NCCF 11a_100000724931_100000210193 [0,1,0,0,0,0|3,0,0]=4 391 B8R0.1 C=CCC(=O)NCCF 1626a_100000724931_100000210193 [0,1,0,0,0,0|3,0,0]=4 392 B8R0.1 C=CCC(=O)NCCF 240690a_100000724931_100000210193 [0,1,0,0,0,0|3,0,0]=4 393 B8R0.1 C=CCC(=O)NCCF 527a_100000724931_100000210193 [0,1,0,0,0,0|3,0,0]=4 394 B8R0.1 C=CCC(=O)NCCO 240690a_100000210304_100000210193 [0,1,0,0,0,0|2,0,0]=3 395 B8R0.1 C=CCC(=O)NCCO 527a_100000210304_100000210193 [0,1,0,0,0,0|2,0,0]=3 396 B8R0.1 C=CCNC(=O)CNC 2230a_106832991635_100000183597 [0,1,0,0,0,0|2,0,1]=4 397 B8R0.1 C=CCNC(=O)CNC 7a_106832991635_100000183597 [0,1,0,0,0,0|2,0,1]=4 398 B8R0.1 C=CCOC(=O)CNC 2230a_106832991635_100000033060 [0,1,0,0,0,0|1,0,1]=3 399 B8R0.1 C=CCOC(=O)CNC 34a_100102657272_100000033060 [0,1,0,0,0,0|1,0,1]=3 400 B8R0.1 C=CCOC(=O)CNC 7a_106832991635_100000033060 [0,1,0,0,0,0|1,0,1]=3 401 B8R0.1 C=CCOC(=O)COC 34a_100138415774_100000033060 [0,1,0,0,0,0|2,0,1]=4 402 B8R0.1 C=CCOC(=O)CSC 62a_100000033060_200000210301 [0,1,0,0,0,0|2,0,1]=4 403 B8R0.1 C=CCOC(=O)CSC 62a_200000210301_100000033060 [0,1,0,0,0,0|2,0,1]=4 404 B8R0.1 C=CCOC(=O)CS[13CH3] 62a_100000033060_200025704644 [0,1,0,0,0,0|2,0,1]=4 405 B8R0.1 C=CCOC(=O)CS[13CH3] 62a_200025704644_100000033060 [0,1,0,0,0,0|2,0,1]=4 406 B8R0.1 C=CC[C@@H](C)OCCO 34a_100000731007_100000211926 [0,1,0,0,0,0|2,0,1]=4 407 B8R0.1 C=CC[C@@H](C)OCCO 7a_100000731007_100000211926 [0,1,0,0,0,0|2,0,1]=4 408 B8R0.1 CC#CC(=O)CCCO 1458a_100000763181_100011215043 [0,1,0,0,0,0|2,0,1]=4 409 B8R0.1 CC(CCBr)OCCO 34a_100012276601_100000211926 [0,1,0,0,0,0|2,0,1]=4 410 B8R0.1 CC=CC(=O)CCCO 1458a_100000210699_100011215043 [0,1,0,0,0,0|2,0,1]=4 411 B8R0.1 CC=CC(=O)NCCO 240690a_100000210304_100000210699 [0,1,0,0,0,0|2,0,1]=4 412 B8R0.1 CCCC(=O)C#CCO 1458a_100000049017_100000210303 [0,1,0,0,0,0|2,0,1]=4 413 B8R0.1 CCCC(=O)CCCF 1458a_100000211992_100011934791 [0,1,0,0,0,0|3,0,0]=4 414 B8R0.1 CCCC(=O)CCCO 1458a_100000211992_100011215043 [0,1,0,0,0,0|2,0,0]=3 415 B8R0.1 CCCC(=O)NCCF 11a_100000724931_100000211992 [0,1,0,0,0,0|3,0,0]=4 416 B8R0.1 CCCC(=O)NCCF 1626a_100000724931_100000211992 [0,1,0,0,0,0|3,0,0]=4 417 B8R0.1 CCCC(=O)NCCF 240690a_100000724931_100000211992 [0,1,0,0,0,0|3,0,0]=4 418 B8R0.1 CCCC(=O)NCCF 527a_100000724931_100000211992 [0,1,0,0,0,0|3,0,0]=4 419 B8R0.1 CCCC(=O)NCCO 240690a_100000210304_100000211992 [0,1,0,0,0,0|2,0,0]=3 420 B8R0.1 CCCC(=O)NCCO 527a_100000210304_100000211992 [0,1,0,0,0,0|2,0,0]=3 421 B8R0.1 CCCC(=O)OCNC 2230a_106832991635_100000034017 [0,1,0,0,0,0|3,0,0]=4 422 B8R0.1 CCCC(=O)OCNC 34a_100102657272_100000034017 [0,1,0,0,0,0|3,0,0]=4 423 B8R0.1 CCCC(=O)OCOC 34a_100138415774_100000034017 [0,1,0,0,0,0|3,0,0]=4 424 B8R0.1 CCCC(=O)OCSC 62a_200000210301_100000034017 [0,1,0,0,0,0|3,0,0]=4 425 B8R0.1 CCCC(=O)OCS[13CH3] 62a_200025704644_100000034017 [0,1,0,0,0,0|3,0,0]=4 426 B8R0.1 CCCC(C)OCCO 34a_100000764384_100000211926 [0,1,0,0,0,0|2,0,1]=4 427 B8R0.1 CCCC(C)OCCO 7a_100000764384_100000211926 [0,1,0,0,0,0|2,0,1]=4 428 B8R0.1 CCCCC(=O)CC#N 1458a_100000210183_100011214920 [0,1,0,0,0,0|2,0,1]=4 429 B8R0.1 CCCCC(=O)CC#N 1458a_100051588842_100000210211 [0,1,0,0,0,0|2,0,1]=4 430 B8R0.1 CCCCC(=O)CCC 1458a_100000210183_100000210303 [0,1,0,0,0,0|3,0,0]=4 431 B8R0.1 CCCCC(=O)CCC 1458a_100000211992_100000210211 [0,1,0,0,0,0|3,0,0]=4 432 B8R0.1 CCCCC(=O)CCF 1458a_100000210183_100011217306 [0,1,0,0,0,0|3,0,0]=4 433 B8R0.1 CCCCC(=O)CCO 1458a_100000210183_100000211926 [0,1,0,0,0,0|3,0,0]=4 434 B8R0.1 CCCCC(=O)CCO 1458a_100011216618_100000210211 [0,1,0,0,0,0|3,0,0]=4 435 B8R0.1 CCCCC(=O)COC 1458a_100000210968_100000210211 [0,1,0,0,0,0|3,0,0]=4 436 B8R0.1 CCCCC(=O)CSC 1458a_100000184570_100000210211 [0,1,0,0,0,0|3,0,0]=4 437 B8R0.1 CCCCC(=O)NCC 11a_100015525214_100000210183 [0,1,0,0,0,0|3,0,0]=4 438 B8R0.1 CCCCC(=O)NCC 240690a_100015525214_100000210183 [0,1,0,0,0,0|3,0,0]=4 439 B8R0.1 CCCCC(=O)NCC 527a_100015525214_100000210183 [0,1,0,0,0,0|3,0,0]=4 440 B8R0.1 CCCCC(=O)NNC 22a_100016993582_100000210183 [0,1,0,0,0,0|3,0,0]=4 441 B8R0.1 CCCNC(=O)CC#N 1626a_100020643023_100051588842 [0,1,0,0,0,0|2,0,1]=4 442 B8R0.1 CCCNC(=O)CC#N 240690a_100020643023_100051588842 [0,1,0,0,0,0|2,0,1]=4 443 B8R0.1 CCCNC(=O)CCC 11a_100020643023_100000211992 [0,1,0,0,0,0|3,0,0]=4 444 B8R0.1 CCCNC(=O)CCC 1626a_100020643023_100000211992 [0,1,0,0,0,0|3,0,0]=4 445 B8R0.1 CCCNC(=O)CCC 240690a_100020643023_100000211992 [0,1,0,0,0,0|3,0,0]=4 446 B8R0.1 CCCNC(=O)CCC 527a_100020643023_100000211992 [0,1,0,0,0,0|3,0,0]=4 447 B8R0.1 CCCNC(=O)CCO 240690a_100020643023_100011216618 [0,1,0,0,0,0|3,0,0]=4 448 B8R0.1 CCCNC(=O)CNC 2230a_100000174927_200000210301 [0,1,0,0,0,0|2,0,0]=3 449 B8R0.1 CCCNC(=O)CNC 2230a_106832991635_100000183358 [0,1,0,0,0,0|2,0,0]=3 450 B8R0.1 CCCNC(=O)CNC 34a_100102657272_100000183358 [0,1,0,0,0,0|2,0,0]=3 451 B8R0.1 CCCNC(=O)CNC 7a_106832991635_100000183358 [0,1,0,0,0,0|2,0,0]=3 452 B8R0.1 CCCNC(=O)CN[13CH3] 2230a_100000174927_200025704644 [0,1,0,0,0,0|2,0,0]=3 453 B8R0.1 CCCNC(=O)COC 11a_100020643023_100000210968 [0,1,0,0,0,0|3,0,0]=4 454 B8R0.1 CCCNC(=O)COC 1626a_100020643023_100000210968 [0,1,0,0,0,0|3,0,0]=4 455 B8R0.1 CCCNC(=O)COC 240690a_100020643023_100000210968 [0,1,0,0,0,0|3,0,0]=4 456 B8R0.1 CCCNC(=O)COC 34a_100138415774_100000183358 [0,1,0,0,0,0|3,0,0]=4 457 B8R0.1 CCCNC(=O)COC 527a_100020643023_100000210968 [0,1,0,0,0,0|3,0,0]=4 458 B8R0.1 CCCNC(=O)CSC 11a_100020643023_100000184570 [0,1,0,0,0,0|3,0,0]=4 459 B8R0.1 CCCNC(=O)CSC 1626a_100020643023_100000184570 [0,1,0,0,0,0|3,0,0]=4 460 B8R0.1 CCCNC(=O)CSC 240690a_100020643023_100000184570 [0,1,0,0,0,0|3,0,0]=4 461 B8R0.1 CCCNC(=O)CSC 527a_100020643023_100000184570 [0,1,0,0,0,0|3,0,0]=4 462 B8R0.1 CCCNC(=O)CSC 62a_100000183358_200000210301 [0,1,0,0,0,0|3,0,0]=4 463 B8R0.1 CCCNC(=O)CSC 62a_200000210301_100000183358 [0,1,0,0,0,0|3,0,0]=4 464 B8R0.1 CCCNC(=O)CS[13CH3] 62a_100000183358_200025704644 [0,1,0,0,0,0|3,0,0]=4 465 B8R0.1 CCCNC(=O)CS[13CH3] 62a_200025704644_100000183358 [0,1,0,0,0,0|3,0,0]=4 466 B8R0.1 CCCNC(=O)NCC 2708a_100015525214_100020643023 [0,1,0,0,0,0|3,0,0]=4 467 B8R0.1 CCCNC(=O)NCC 2708a_100020643023_100015525214 [0,1,0,0,0,0|3,0,0]=4 468 B8R0.1 CCCNC(=O)NCC 273464a_100015525214_100020643023 [0,1,0,0,0,0|3,0,0]=4 469 B8R0.1 CCCNC(=O)NCC 273464a_100020643023_100015525214 [0,1,0,0,0,0|3,0,0]=4 470 B8R0.1 CCCNC(=O)NCC 512a_100015525214_100020643023 [0,1,0,0,0,0|3,0,0]=4 471 B8R0.1 CCCNC(=O)NCC 512a_100020643023_100015525214 [0,1,0,0,0,0|3,0,0]=4 472 B8R0.1 CCCNC(=O)NNC 273464a_100020643023_100016993582 [0,1,0,0,0,0|3,0,0]=4 473 B8R0.1 CCCNC(=O)NNC 512a_100016993582_100020643023 [0,1,0,0,0,0|3,0,0]=4 474 B8R0.1 CCCNC(=O)NNC 512a_100020643023_100016993582 [0,1,0,0,0,0|3,0,0]=4 475 B8R0.1 CCCOC(=O)CNC 2230a_106832991635_200011215008 [0,1,0,0,0,0|1,0,0]=2 476 B8R0.1 CCCOC(=O)CNC 34a_100102657272_200011215008 [0,1,0,0,0,0|1,0,0]=2 477 B8R0.1 CCCOC(=O)CNC 7a_106832991635_200011215008 [0,1,0,0,0,0|1,0,0]=2 478 B8R0.1 CCCOC(=O)COC 34a_100138415774_200011215008 [0,1,0,0,0,0|2,0,0]=3 479 B8R0.1 CCCOC(=O)CSC 62a_200000210301_200011215008 [0,1,0,0,0,0|2,0,0]=3 480 B8R0.1 CCCOC(=O)CSC 62a_200011215008_200000210301 [0,1,0,0,0,0|2,0,0]=3 481 B8R0.1 CCCOC(=O)CS[13CH3] 62a_200011215008_200025704644 [0,1,0,0,0,0|2,0,0]=3 482 B8R0.1 CCCOC(=O)CS[13CH3] 62a_200025704644_200011215008 [0,1,0,0,0,0|2,0,0]=3 483 B8R0.1 CCCOC(C)CNC 2230a_100015185124_200000210301 [0,1,0,0,0,0|2,0,1]=4 484 B8R0.1 CCCOC(C)CNC 34a_100015185124_200000210301 [0,1,0,0,0,0|2,0,1]=4 485 B8R0.1 CCCOC(C)CN[13CH3] 2230a_100015185124_200025704644 [0,1,0,0,0,0|2,0,1]=4 486 B8R0.1 CCCOC(C)CN[13CH3] 34a_100015185124_200025704644 [0,1,0,0,0,0|2,0,1]=4 487 B8R0.1 CCNC(=O)NCCF 2708a_100015525214_100000724931 [0,1,0,0,0,0|3,0,0]=4 488 B8R0.1 CCNC(=O)NCCF 273464a_100000724931_100015525214 [0,1,0,0,0,0|3,0,0]=4 489 B8R0.1 CCNC(=O)NCCF 273464a_100015525214_100000724931 [0,1,0,0,0,0|3,0,0]=4 490 B8R0.1 CCNC(=O)NCCF 512a_100015525214_100000724931 [0,1,0,0,0,0|3,0,0]=4 491 B8R0.1 CCNC(=O)NCCO 2708a_100015525214_100000210304 [0,1,0,0,0,0|2,0,0]=3 492 B8R0.1 CCNC(=O)NCCO 273464a_100000210304_100015525214 [0,1,0,0,0,0|2,0,0]=3 493 B8R0.1 CCNC(=O)NCCO 273464a_100015525214_100000210304 [0,1,0,0,0,0|2,0,0]=3 494 B8R0.1 CCNC(=O)NCCO 512a_100015525214_100000210304 [0,1,0,0,0,0|2,0,0]=3 495 B8R0.1 CCOC(=O)OCSC 62a_200000210301_100000075025 [0,1,0,0,0,0|3,0,0]=4 496 B8R0.1 CCOC(=O)OCS[13CH3] 62a_200025704644_100000075025 [0,1,0,0,0,0|3,0,0]=4 497 B8R0.1 CNCC(=O)NCC#N 2230a_106832991635_100000736037 [0,1,0,0,0,0|2,0,1]=4 498 B8R0.1 CNCC(=O)NCC#N 7a_106832991635_100000736037 [0,1,0,0,0,0|2,0,1]=4 499 B8R0.1 CNCC(=O)NCCF 2230a_100000725713_200000210301 [0,1,0,0,0,0|2,0,0]=3 500 B8R0.1 CNC[C@H](C)CCCO 2230a_100160569302_200000210301 [0,1,0,0,0,0|2,0,1]=4 501 B8R0.1 CNC[C@H](C)CCCO 34a_100160569302_200000210301 [0,1,0,0,0,0|2,0,1]=4 502 B8R0.1 CNNC(=O)NCCF 273464a_100000724931_100016993582 [0,1,0,0,0,0|3,0,0]=4 503 B8R0.1 CNNC(=O)NCCF 512a_100016993582_100000724931 [0,1,0,0,0,0|3,0,0]=4 504 B8R0.1 CNNC(=O)NCCO 273464a_100000210304_100016993582 [0,1,0,0,0,0|2,0,0]=3 505 B8R0.1 CNNC(=O)NCCO 512a_100016993582_100000210304 [0,1,0,0,0,0|2,0,0]=3 506 B8R0.1 COCC(=O)CCCF 1458a_100000210968_100011934791 [0,1,0,0,0,0|3,0,0]=4 507 B8R0.1 COCC(=O)CCCO 1458a_100000210968_100011215043 [0,1,0,0,0,0|2,0,0]=3 508 B8R0.1 COCC(=O)NCCF 11a_100000724931_100000210968 [0,1,0,0,0,0|3,0,0]=4 509 B8R0.1 COCC(=O)NCCF 1626a_100000724931_100000210968 [0,1,0,0,0,0|3,0,0]=4 510 B8R0.1 COCC(=O)NCCF 240690a_100000724931_100000210968 [0,1,0,0,0,0|3,0,0]=4 511 B8R0.1 COCC(=O)NCCF 527a_100000724931_100000210968 [0,1,0,0,0,0|3,0,0]=4 512 B8R0.1 COCC(=O)NCCO 240690a_100000210304_100000210968 [0,1,0,0,0,0|2,0,0]=3 513 B8R0.1 COCC(=O)NCCO 527a_100000210304_100000210968 [0,1,0,0,0,0|2,0,0]=3 514 B8R0.1 COC[C@@H](C)OCCO 34a_100011934205_100000211926 [0,1,0,0,0,0|2,0,1]=4 515 B8R0.1 CSCC(=O)CCCF 1458a_100000184570_100011934791 [0,1,0,0,0,0|3,0,0]=4 516 B8R0.1 CSCC(=O)CCCO 1458a_100000184570_100011215043 [0,1,0,0,0,0|2,0,0]=3 517 B8R0.1 CSCC(=O)NCCF 11a_100000724931_100000184570 [0,1,0,0,0,0|3,0,0]=4 518 B8R0.1 CSCC(=O)NCCF 1626a_100000724931_100000184570 [0,1,0,0,0,0|3,0,0]=4 519 B8R0.1 CSCC(=O)NCCF 240690a_100000724931_100000184570 [0,1,0,0,0,0|3,0,0]=4 520 B8R0.1 CSCC(=O)NCCF 527a_100000724931_100000184570 [0,1,0,0,0,0|3,0,0]=4 521 B8R0.1 CSCC(=O)NCCO 240690a_100000210304_100000184570 [0,1,0,0,0,0|2,0,0]=3 522 B8R0.1 CSCC(=O)NCCO 527a_100000210304_100000184570 [0,1,0,0,0,0|2,0,0]=3 523 B8R0.1 C[C@H](CCCO)CN[13CH3] 2230a_100160569302_200025704644 [0,1,0,0,0,0|2,0,1]=4 524 B8R0.1 C[C@H](CCCO)CN[13CH3] 34a_100160569302_200025704644 [0,1,0,0,0,0|2,0,1]=4 525 B8R0.1 N#CCC(=O)C#CCO 1458a_100000049017_100011214920 [0,1,0,0,0,0|1,0,2]=4 526 B8R0.1 N#CCC(=O)CCCF 1458a_100051588842_100011934791 [0,1,0,0,0,0|2,0,1]=4 527 B8R0.1 N#CCC(=O)CCCO 1458a_100051588842_100011215043 [0,1,0,0,0,0|1,0,1]=3 528 B8R0.1 N#CCC(=O)NCCF 1626a_100000724931_100051588842 [0,1,0,0,0,0|2,0,1]=4 529 B8R0.1 N#CCC(=O)NCCF 240690a_100000724931_100051588842 [0,1,0,0,0,0|2,0,1]=4 530 B8R0.1 N#CCC(=O)NCCO 240690a_100000210304_100051588842 [0,1,0,0,0,0|1,0,1]=3 531 B8R0.1 O=C(C#CCO)CCF 1458a_100000049017_100011217306 [0,1,0,0,0,0|2,0,1]=4 532 B8R0.1 O=C(C#CCO)CCO 1458a_100000049017_100000211926 [0,1,0,0,0,0|2,0,1]=4 533 B8R0.1 O=C(C=CBr)CCCO 1458a_100016273825_100011215043 [0,1,0,0,0,0|2,0,1]=4 534 B8R0.1 O=C(C=CBr)NCCO 240690a_100000210304_100016273825 [0,1,0,0,0,0|2,0,1]=4 535 B8R0.1 O=C(C=CCl)CCCO 1458a_200016279998_100011215043 [0,1,0,0,0,0|2,0,1]=4 536 B8R0.1 O=C(C=CCl)NCCO 240690a_100000210304_200016279998 [0,1,0,0,0,0|2,0,1]=4 537 B8R0.1 O=C(C=CI)CCCO 1458a_100016256311_100011215043 [0,1,0,0,0,0|2,0,1]=4 538 B8R0.1 O=C(CCO)CCCF 1458a_100011216618_100011934791 [0,1,0,0,0,0|3,0,0]=4 539 B8R0.1 O=C(CCO)CCCO 1458a_100011216618_100011215043 [0,1,0,0,0,0|2,0,0]=3 540 B8R0.1 O=C(CCO)NCCF 240690a_100000724931_100011216618 [0,1,0,0,0,0|3,0,0]=4 541 B8R0.1 O=C(CCO)NCCO 240690a_100000210304_100011216618 [0,1,0,0,0,0|2,0,0]=3 542 B8R0.1 [13CH3]NCC(=O)NCCF 2230a_100000725713_200025704644 [0,1,0,0,0,0|2,0,0]=3 543 B8R0.3 C#CC(=O)C(C)CCO 1458a_100000211873_100009893172 [0,1,0,0,0,0|2,0,1]=4 544 B8R0.3 C=CC(=O)C(C)CCO 1458a_100000185746_100009893172 [0,1,0,0,0,0|2,0,1]=4 545 B8R0.3 C=CC(=O)N(C)CCO 240690a_100000210263_200121576911 [0,1,0,0,0,0|2,0,1]=4 546 B8R0.3 CC(CCO)C(=O)CO 1458a_100000210174_100009893172 [0,1,0,0,0,0|2,0,0]=3 547 B8R0.3 CCC(=O)C(C)CCO 1458a_100000210414_100009893172 [0,1,0,0,0,0|2,0,0]=3 548 B8R0.3 CCC(=O)N(C)CCO 240690a_100000210263_100000210414 [0,1,0,0,0,0|2,0,0]=3 549 B8R0.3 CCC(=O)N(C)CCO 527a_100000210263_100000210414 [0,1,0,0,0,0|2,0,0]=3 550 B8R0.3 CCCC(C)C(=O)CC 1458a_100000210414_100000766640 [0,1,0,0,0,0|3,0,0]=4 551 B8R0.3 CCCC(C)C(=O)CC 1458a_100000210906_100000210202 [0,1,0,0,0,0|3,0,0]=4 552 B8R0.3 CCCC(C)C(=O)CF 1458a_100000210906_100015361967 [0,1,0,0,0,0|3,0,0]=4 553 B8R0.3 CCCC(C)C(=O)CO 1458a_100000210174_100000766640 [0,1,0,0,0,0|3,0,0]=4 554 B8R0.3 CCCN(C)C(=O)CC 11a_100000747261_100000210414 [0,1,0,0,0,0|3,0,0]=4 555 B8R0.3 CCCN(C)C(=O)CC 1626a_100000747261_100000210414 [0,1,0,0,0,0|3,0,0]=4 556 B8R0.3 CCCN(C)C(=O)CC 240690a_100000747261_100000210414 [0,1,0,0,0,0|3,0,0]=4 557 B8R0.3 CCCN(C)C(=O)CC 527a_100000747261_100000210414 [0,1,0,0,0,0|3,0,0]=4 558 B8R0.3 CCCN(C)C(=O)CO 240690a_100000747261_100000210174 [0,1,0,0,0,0|3,0,0]=4 559 B8R0.3 CCCN(C)C(=O)CO 527a_100000747261_100000210174 [0,1,0,0,0,0|3,0,0]=4 560 B8R0.3 CCC[C@H](O)C(=O)CC 1458a_100009822183_100000210202 [0,1,0,0,0,0|3,0,0]=4 561 B8R0.3 CCC[C@H](O)C(=O)CF 1458a_100009822183_100015361967 [0,1,0,0,0,0|3,0,0]=4 562 B8R0.3 CN(CCO)C(=O)CO 240690a_100000210263_100000210174 [0,1,0,0,0,0|2,0,0]=3 563 B8R0.3 CN(CCO)C(=O)CO 527a_100000210263_100000210174 [0,1,0,0,0,0|2,0,0]=3 564 B8R0.3 CNC(=O)C(=O)CCO 1458a_100011218921_100000211926 [0,1,0,0,0,0|3,0,0]=4 565 B8R0.3 CNC(=O)N(C)CCO 2708a_100102657272_100000210263 [0,1,0,0,0,0|3,0,0]=4 566 B8R0.3 CNC(=O)N(C)CCO 273464a_100102657272_100000210263 [0,1,0,0,0,0|3,0,0]=4 567 B8R0.6 C#CC(=O)CCCCO 1458a_100000211873_100000210776 [0,1,0,0,0,0|2,0,1]=4 568 B8R0.6 C#CC(=O)CCCOC 1458a_100000211873_100000740836 [0,1,0,0,0,0|2,0,1]=4 569 B8R0.6 C#CCCCC(=O)CC 1458a_100000210414_100000731252 [0,1,0,0,0,0|3,0,0]=4 570 B8R0.6 C#CCCCC(=O)CC 1458a_100000690238_100000210202 [0,1,0,0,0,0|3,0,0]=4 571 B8R0.6 C#CCCCC(=O)CF 1458a_100000690238_100015361967 [0,1,0,0,0,0|3,0,0]=4 572 B8R0.6 C#CCCCC(=O)CO 1458a_100000210174_100000731252 [0,1,0,0,0,0|3,0,0]=4 573 B8R0.6 C#CCCNC(=O)CC 11a_100000755551_100000210414 [0,1,0,0,0,0|3,0,0]=4 574 B8R0.6 C#CCCNC(=O)CC 1626a_100000755551_100000210414 [0,1,0,0,0,0|3,0,0]=4 575 B8R0.6 C#CCCNC(=O)CC 240690a_100000755551_100000210414 [0,1,0,0,0,0|3,0,0]=4 576 B8R0.6 C#CCCNC(=O)CC 527a_100000755551_100000210414 [0,1,0,0,0,0|3,0,0]=4 577 B8R0.6 C#CCCNC(=O)CO 240690a_100000755551_100000210174 [0,1,0,0,0,0|3,0,0]=4 578 B8R0.6 C#CCCNC(=O)CO 527a_100000755551_100000210174 [0,1,0,0,0,0|3,0,0]=4 579 B8R0.6 C#CCCOC(C)CN 34a_100000210904_100000688953 [0,1,0,0,0,0|2,0,1]=4 580 B8R0.6 C#CCOCC(=O)CC 1458a_100011251226_100000210202 [0,1,0,0,0,0|2,0,1]=4 581 B8R0.6 C#CCOCC(=O)CC 34a_100000725409_100000184674 [0,1,0,0,0,0|2,0,1]=4 582 B8R0.6 C#CCOCC(=O)CF 1458a_100011251226_100015361967 [0,1,0,0,0,0|2,0,1]=4 583 B8R0.6 C=CC(=O)CCCCO 1458a_100000185746_100000210776 [0,1,0,0,0,0|2,0,1]=4 584 B8R0.6 C=CC(=O)CCCOC 1458a_100000185746_100000740836 [0,1,0,0,0,0|2,0,1]=4 585 B8R0.6 C=CC(=O)NCCCO 240690a_100000182051_200121576911 [0,1,0,0,0,0|2,0,1]=4 586 B8R0.6 C=CC(=O)NCCOC 1626a_100000209980_100000185746 [0,1,0,0,0,0|2,0,1]=4 587 B8R0.6 C=CC(=O)NCCOC 240690a_100000209980_200121576911 [0,1,0,0,0,0|2,0,1]=4 588 B8R0.6 C=CC(=O)NCCOC 34a_100011304386_200000210301 [0,1,0,0,0,0|2,0,1]=4 589 B8R0.6 C=CC(=O)NCCO[13CH3] 34a_100011304386_200025704644 [0,1,0,0,0,0|2,0,1]=4 590 B8R0.6 C=CC(=O)NNCCO 22a_100000210001_100000185746 [0,1,0,0,0,0|2,0,1]=4 591 B8R0.6 C=CC(=O)OCCNC 2230a_106832991635_100009813456 [0,1,0,0,0,0|2,0,1]=4 592 B8R0.6 C=CC(=O)OCCNC 34a_100102657272_100009813456 [0,1,0,0,0,0|2,0,1]=4 593 B8R0.6 C=CC(=O)OCCNC 7a_106832991635_100009813456 [0,1,0,0,0,0|2,0,1]=4 594 B8R0.6 C=CC(=O)OCCOC 34a_100138415774_100009813456 [0,1,0,0,0,0|1,0,1]=3 595 B8R0.6 C=CC(=O)OCCSC 62a_100009813456_200000210301 [0,1,0,0,0,0|1,1,1]=4 596 B8R0.6 C=CC(=O)OCCSC 62a_200000210301_100009813456 [0,1,0,0,0,0|1,1,1]=4 597 B8R0.6 C=CC(=O)OCCS[13CH3] 62a_100009813456_200025704644 [0,1,0,0,0,0|1,1,1]=4 598 B8R0.6 C=CC(=O)OCCS[13CH3] 62a_200025704644_100009813456 [0,1,0,0,0,0|1,1,1]=4 599 B8R0.6 C=CCCCC(=O)CC 1458a_100000210414_100000757094 [0,1,0,0,0,0|3,0,0]=4 600 B8R0.6 C=CCCCC(=O)CC 1458a_100000766728_100000210202 [0,1,0,0,0,0|3,0,0]=4 601 B8R0.6 C=CCCCC(=O)CF 1458a_100000766728_100015361967 [0,1,0,0,0,0|3,0,0]=4 602 B8R0.6 C=CCCCC(=O)CO 1458a_100000210174_100000757094 [0,1,0,0,0,0|3,0,0]=4 603 B8R0.6 C=CCCNC(=O)CC 11a_100015191253_100000210414 [0,1,0,0,0,0|3,0,0]=4 604 B8R0.6 C=CCCNC(=O)CC 1626a_100015191253_100000210414 [0,1,0,0,0,0|3,0,0]=4 605 B8R0.6 C=CCCNC(=O)CC 240690a_100015191253_100000210414 [0,1,0,0,0,0|3,0,0]=4 606 B8R0.6 C=CCCNC(=O)CC 527a_100015191253_100000210414 [0,1,0,0,0,0|3,0,0]=4 607 B8R0.6 C=CCCNC(=O)CO 240690a_100015191253_100000210174 [0,1,0,0,0,0|3,0,0]=4 608 B8R0.6 C=CCCNC(=O)CO 527a_100015191253_100000210174 [0,1,0,0,0,0|3,0,0]=4 609 B8R0.6 C=CCCOC(C)CN 34a_100000210904_100000754431 [0,1,0,0,0,0|2,0,1]=4 610 B8R0.6 C=CCOCC(=O)CC 34a_100000725409_100015514636 [0,1,0,0,0,0|2,0,1]=4 611 B8R0.6 CC(=NNCCO)CF 4a_100000210001_100000039719 [0,1,0,0,0,0|3,0,0]=4 612 B8R0.6 CC(=NNCCO)CO 4a_100000210001_100000211253 [0,1,0,0,0,0|3,0,0]=4 613 B8R0.6 CC(CF)OCCCO 34a_100016041109_100000230001 [0,1,0,0,0,0|2,0,1]=4 614 B8R0.6 CC(CF)OCCCO 7a_100016041109_100011215043 [0,1,0,0,0,0|2,0,1]=4 615 B8R0.6 CC(CN)COCCF 34a_100000744482_100011217306 [0,1,0,0,0,0|2,0,1]=4 616 B8R0.6 CC(CN)COCCO 34a_100000744482_100000211926 [0,1,0,0,0,0|1,0,1]=3 617 B8R0.6 CC(CN)OCCCF 34a_100000210904_100011934791 [0,1,0,0,0,0|2,0,1]=4 618 B8R0.6 CC(CN)OCCCO 34a_100000210904_100000230001 [0,1,0,0,0,0|1,0,1]=3 619 B8R0.6 CC(CO)OCCON 34a_100000700252_100012180447 [0,1,0,0,0,0|2,0,1]=4 620 B8R0.6 CCC(=O)C=CCOC 1458a_100016285016_100000210202 [0,1,0,0,0,0|2,0,1]=4 621 B8R0.6 CCC(=O)CC#CCO 1458a_100000210414_200000047223 [0,1,0,0,0,0|2,0,1]=4 622 B8R0.6 CCC(=O)CCCC#N 1458a_100000075515_100000210202 [0,1,0,0,0,0|3,0,0]=4 623 B8R0.6 CCC(=O)CCCC#N 1458a_100000210414_100000211468 [0,1,0,0,0,0|3,0,0]=4 624 B8R0.6 CCC(=O)CCCCF 1458a_100000210414_100000729493 [0,1,0,0,0,0|3,0,0]=4 625 B8R0.6 CCC(=O)CCCCO 1458a_100000210414_100000210776 [0,1,0,0,0,0|2,0,0]=3 626 B8R0.6 CCC(=O)CCCCO 1458a_100000695505_100000210202 [0,1,0,0,0,0|2,0,0]=3 627 B8R0.6 CCC(=O)CCCOC 1458a_100000210414_100000740836 [0,1,0,0,0,0|2,0,0]=3 628 B8R0.6 CCC(=O)CCCOC 1458a_100000741012_100000210202 [0,1,0,0,0,0|2,0,0]=3 629 B8R0.6 CCC(=O)CCCSC 1458a_100000173376_100000210202 [0,1,0,0,0,0|2,1,0]=4 630 B8R0.6 CCC(=O)COCC=O 34a_100000725409_200009817547 [0,1,0,0,0,0|1,0,2]=4 631 B8R0.6 CCC(=O)COCCF 34a_100000725409_100011217306 [0,1,0,0,0,0|2,0,0]=3 632 B8R0.6 CCC(=O)COCCO 1458a_100000708028_100000210202 [0,1,0,0,0,0|1,0,0]=2 633 B8R0.6 CCC(=O)COCCO 34a_100000725409_100000211926 [0,1,0,0,0,0|1,0,0]=2 634 B8R0.6 CCC(=O)COCSC 34a_100000725409_100011218213 [0,1,0,0,0,0|3,0,0]=4 635 B8R0.6 CCC(=O)CSCCF 62a_100000747405_100011217306 [0,1,0,0,0,0|2,1,0]=4 636 B8R0.6 CCC(=O)CSCCF 62a_100011217306_100000747405 [0,1,0,0,0,0|2,1,0]=4 637 B8R0.6 CCC(=O)CSCCO 62a_100000211926_100000747405 [0,1,0,0,0,0|1,1,0]=3 638 B8R0.6 CCC(=O)CSCCO 62a_100000747405_100000211926 [0,1,0,0,0,0|1,1,0]=3 639 B8R0.6 CCC(=O)CSCOC 62a_100000747405_100000766300 [0,1,0,0,0,0|3,0,0]=4 640 B8R0.6 CCC(=O)CSCOC 62a_100000766300_100000747405 [0,1,0,0,0,0|3,0,0]=4 641 B8R0.6 CCC(=O)NCCC#N 11a_100000720768_100000210414 [0,1,0,0,0,0|3,0,0]=4 642 B8R0.6 CCC(=O)NCCC#N 1626a_100000720768_100000210414 [0,1,0,0,0,0|3,0,0]=4 643 B8R0.6 CCC(=O)NCCC#N 240690a_100000720768_100000210414 [0,1,0,0,0,0|3,0,0]=4 644 B8R0.6 CCC(=O)NCCC#N 527a_100000720768_100000210414 [0,1,0,0,0,0|3,0,0]=4 645 B8R0.6 CCC(=O)NCCCF 11a_100015189416_100000210414 [0,1,0,0,0,0|3,0,0]=4 646 B8R0.6 CCC(=O)NCCCF 1626a_100015189416_100000210414 [0,1,0,0,0,0|3,0,0]=4 647 B8R0.6 CCC(=O)NCCCF 240690a_100015189416_100000210414 [0,1,0,0,0,0|3,0,0]=4 648 B8R0.6 CCC(=O)NCCCF 527a_100015189416_100000210414 [0,1,0,0,0,0|3,0,0]=4 649 B8R0.6 CCC(=O)NCCCO 240690a_100000182051_100000210414 [0,1,0,0,0,0|2,0,0]=3 650 B8R0.6 CCC(=O)NCCCO 527a_100000182051_100000210414 [0,1,0,0,0,0|2,0,0]=3 651 B8R0.6 CCC(=O)NCCNC 34a_100132302217_200000210301 [0,1,0,0,0,0|3,0,0]=4 652 B8R0.6 CCC(=O)NCCN[13CH3] 34a_100132302217_200025704644 [0,1,0,0,0,0|3,0,0]=4 653 B8R0.6 CCC(=O)NCCOC 1626a_100000209980_100000210414 [0,1,0,0,0,0|2,0,0]=3 654 B8R0.6 CCC(=O)NCCOC 240690a_100000209980_100000210414 [0,1,0,0,0,0|2,0,0]=3 655 B8R0.6 CCC(=O)NCCOC 34a_200000158885_200000210301 [0,1,0,0,0,0|2,0,0]=3 656 B8R0.6 CCC(=O)NCCOC 527a_100000209980_100000210414 [0,1,0,0,0,0|2,0,0]=3 657 B8R0.6 CCC(=O)NCCOC 7a_200000158885_200000210301 [0,1,0,0,0,0|2,0,0]=3 658 B8R0.6 CCC(=O)NCCO[13CH3] 34a_200000158885_200025704644 [0,1,0,0,0,0|2,0,0]=3 659 B8R0.6 CCC(=O)NCCO[13CH3] 7a_200000158885_200025704644 [0,1,0,0,0,0|2,0,0]=3 660 B8R0.6 CCC(=O)NCCSC 11a_100020590264_100000210414 [0,1,0,0,0,0|2,1,0]=4 661 B8R0.6 CCC(=O)NCCSC 1626a_100020590264_100000210414 [0,1,0,0,0,0|2,1,0]=4 662 B8R0.6 CCC(=O)NCCSC 240690a_100020590264_100000210414 [0,1,0,0,0,0|2,1,0]=4 663 B8R0.6 CCC(=O)NCCSC 527a_100020590264_100000210414 [0,1,0,0,0,0|2,1,0]=4 664 B8R0.6 CCC(=O)NNCCO 22a_100000210001_100000210414 [0,1,0,0,0,0|2,0,0]=3 665 B8R0.6 CCC(=O)OCCOC 7a_200000031056_200000210301 [0,1,0,0,0,0|1,0,0]=2 666 B8R0.6 CCC(=O)OCCO[13CH3] 7a_200000031056_200025704644 [0,1,0,0,0,0|1,0,0]=2 667 B8R0.6 CCC(C)OCCCO 7a_100000210228_100011215043 [0,1,0,0,0,0|2,0,1]=4 668 B8R0.6 CCC(C)OCCOC 34a_100000210237_100011215416 [0,1,0,0,0,0|2,0,1]=4 669 B8R0.6 CCC(C)OCCOC 7a_100000210228_100000233755 [0,1,0,0,0,0|2,0,1]=4 670 B8R0.6 CCC(C)OCCON 34a_100000700252_100011215416 [0,1,0,0,0,0|2,0,1]=4 671 B8R0.6 CCCC#CC(=O)CC 1458a_200011218047_100000210202 [0,1,0,0,0,0|3,0,0]=4 672 B8R0.6 CCCC#CC(=O)CF 1458a_200011218047_100015361967 [0,1,0,0,0,0|3,0,0]=4 673 B8R0.6 CCCC=CC(=O)CC 1458a_100000212230_100000210202 [0,1,0,0,0,0|3,0,0]=4 674 B8R0.6 CCCC=CC(=O)CF 1458a_100000212230_100015361967 [0,1,0,0,0,0|3,0,0]=4 675 B8R0.6 CCCCCC(=O)CC 1458a_100000210414_100000210326 [0,1,0,0,0,0|3,0,0]=4 676 B8R0.6 CCCCCC(=O)CC 1458a_100000212188_100000210202 [0,1,0,0,0,0|3,0,0]=4 677 B8R0.6 CCCCCC(=O)CF 1458a_100000212188_100015361967 [0,1,0,0,0,0|3,0,0]=4 678 B8R0.6 CCCCCC(=O)CO 1458a_100000210174_100000210326 [0,1,0,0,0,0|3,0,0]=4 679 B8R0.6 CCCCNC(=O)CC 11a_100000102301_100000210414 [0,1,0,0,0,0|3,0,0]=4 680 B8R0.6 CCCCNC(=O)CC 1626a_100000102301_100000210414 [0,1,0,0,0,0|3,0,0]=4 681 B8R0.6 CCCCNC(=O)CC 240690a_100000102301_100000210414 [0,1,0,0,0,0|3,0,0]=4 682 B8R0.6 CCCCNC(=O)CC 527a_100000102301_100000210414 [0,1,0,0,0,0|3,0,0]=4 683 B8R0.6 CCCCNC(=O)CO 240690a_100000102301_100000210174 [0,1,0,0,0,0|3,0,0]=4 684 B8R0.6 CCCCNC(=O)CO 527a_100000102301_100000210174 [0,1,0,0,0,0|3,0,0]=4 685 B8R0.6 CCCCOC(C)CN 34a_100000210904_100000210210 [0,1,0,0,0,0|2,0,1]=4 686 B8R0.6 CCCNNC(=O)CC 22a_100000740057_100000210414 [0,1,0,0,0,0|3,0,0]=4 687 B8R0.6 CCCNNC(=O)CO 22a_100000740057_100000210174 [0,1,0,0,0,0|3,0,0]=4 688 B8R0.6 CCCOCC(=O)CC 1458a_100000745993_100000210202 [0,1,0,0,0,0|2,0,0]=3 689 B8R0.6 CCCOCC(=O)CC 34a_100000725409_100000210303 [0,1,0,0,0,0|2,0,0]=3 690 B8R0.6 CCCOCC(=O)CF 1458a_100000745993_100015361967 [0,1,0,0,0,0|2,0,0]=3 691 B8R0.6 CCCOCC(=O)NC 11a_106832991635_100000745993 [0,1,0,0,0,0|3,0,0]=4 692 B8R0.6 CCCOCC(=O)NC 1626a_100102657272_100000745993 [0,1,0,0,0,0|3,0,0]=4 693 B8R0.6 CCCOCC(=O)NC 240690a_100102657272_100000745993 [0,1,0,0,0,0|3,0,0]=4 694 B8R0.6 CCCOCC(=O)NC 34a_100000210258_100000183359 [0,1,0,0,0,0|3,0,0]=4 695 B8R0.6 CCCOCC(=O)NC 34a_100000750040_100000210303 [0,1,0,0,0,0|3,0,0]=4 696 B8R0.6 CCCOCC(=O)NC 527a_100102657272_100000745993 [0,1,0,0,0,0|3,0,0]=4 697 B8R0.6 CCCOCC(=O)OC 34a_100000210258_100000747449 [0,1,0,0,0,0|3,0,0]=4 698 B8R0.6 CCCOCC(C)CN 34a_100000744482_100000210303 [0,1,0,0,0,0|2,0,1]=4 699 B8R0.6 CCCOC[C@H](F)CN 34a_100015665980_100000210303 [0,1,0,0,0,0|2,0,1]=4 700 B8R0.6 CCCSCC(=O)CC 1458a_100000217233_100000210202 [0,1,0,0,0,0|2,1,0]=4 701 B8R0.6 CCCSCC(=O)CC 62a_100000210303_100000747405 [0,1,0,0,0,0|2,1,0]=4 702 B8R0.6 CCCSCC(=O)CC 62a_100000747405_100000210303 [0,1,0,0,0,0|2,1,0]=4 703 B8R0.6 CCCSCC(=O)CF 1458a_100000217233_100015361967 [0,1,0,0,0,0|2,1,0]=4 704 B8R0.6 CCOCCC(=O)CC 1458a_100000210414_100011215890 [0,1,0,0,0,0|3,0,0]=4 705 B8R0.6 CCOCCC(=O)CC 1458a_100000749530_100000210202 [0,1,0,0,0,0|3,0,0]=4 706 B8R0.6 CCOCCC(=O)CF 1458a_100000749530_100015361967 [0,1,0,0,0,0|3,0,0]=4 707 B8R0.6 CCOCCC(=O)CO 1458a_100000210174_100011215890 [0,1,0,0,0,0|3,0,0]=4 708 B8R0.6 CCSCCC(=O)CC 1458a_100000210414_100000757381 [0,1,0,0,0,0|3,0,0]=4 709 B8R0.6 CCSCCC(=O)CC 1458a_100000230768_100000210202 [0,1,0,0,0,0|3,0,0]=4 710 B8R0.6 CCSCCC(=O)CF 1458a_100000230768_100015361967 [0,1,0,0,0,0|3,0,0]=4 711 B8R0.6 CCSCCC(=O)CO 1458a_100000210174_100000757381 [0,1,0,0,0,0|3,0,0]=4 712 B8R0.6 CCSCOC(=O)OC 62a_100000210202_100000139417 [0,1,0,0,0,0|3,0,0]=4 713 B8R0.6 CC[C@H](C)COCCO 7a_100009816381_100000211926 [0,1,0,0,0,0|2,0,1]=4 714 B8R0.6 CNC(=O)CCCCO 1626a_100102657272_100000695505 [0,1,0,0,0,0|3,0,0]=4 715 B8R0.6 CNC(=O)CCCOC 11a_106832991635_100000741012 [0,1,0,0,0,0|3,0,0]=4 716 B8R0.6 CNC(=O)CCCOC 1626a_100102657272_100000741012 [0,1,0,0,0,0|3,0,0]=4 717 B8R0.6 CNC(=O)CCCOC 240690a_100102657272_100000741012 [0,1,0,0,0,0|3,0,0]=4 718 B8R0.6 CNC(=O)CCCOC 34a_100138415774_100000741757 [0,1,0,0,0,0|3,0,0]=4 719 B8R0.6 CNC(=O)CCCOC 527a_100102657272_100000741012 [0,1,0,0,0,0|3,0,0]=4 720 B8R0.6 CNC(=O)CNCCO 2230a_100000693194_100000211926 [0,1,0,0,0,0|3,0,0]=4 721 B8R0.6 CNC(=O)CNCCO 2230a_100016997473_100000183359 [0,1,0,0,0,0|3,0,0]=4 722 B8R0.6 CNC(=O)CNCCO 34a_100016990907_100000183359 [0,1,0,0,0,0|3,0,0]=4 723 B8R0.6 CNC(=O)COCCBr 34a_100000211926_100000183359 [0,1,0,0,0,0|3,0,0]=4 724 B8R0.6 CNC(=O)COCCF 34a_100000750040_100011217306 [0,1,0,0,0,0|3,0,0]=4 725 B8R0.6 CNC(=O)COCCN 34a_100000210304_100000183359 [0,1,0,0,0,0|3,0,0]=4 726 B8R0.6 CNC(=O)COCCO 1626a_100102657272_100000708028 [0,1,0,0,0,0|2,0,0]=3 727 B8R0.6 CNC(=O)COCCO 240690a_100102657272_100000708028 [0,1,0,0,0,0|2,0,0]=3 728 B8R0.6 CNC(=O)COCCO 34a_100000750040_100000211926 [0,1,0,0,0,0|2,0,0]=3 729 B8R0.6 CNC(=O)CSCCO 62a_100000183359_100000211926 [0,1,0,0,0,0|2,1,0]=4 730 B8R0.6 CNC(=O)CSCCO 62a_100000211926_100000183359 [0,1,0,0,0,0|2,1,0]=4 731 B8R0.6 CNC(=O)NCCCO 2708a_100102657272_100000182051 [0,1,0,0,0,0|3,0,0]=4 732 B8R0.6 CNC(=O)NCCCO 273464a_100000182051_100102657272 [0,1,0,0,0,0|3,0,0]=4 733 B8R0.6 CNC(=O)NCCCO 273464a_100102657272_100000182051 [0,1,0,0,0,0|3,0,0]=4 734 B8R0.6 CNC(=O)NCCCO 512a_106832991638_100000182051 [0,1,0,0,0,0|3,0,0]=4 735 B8R0.6 CNC(=O)NCCOC 2708a_100102657272_100000209980 [0,1,0,0,0,0|3,0,0]=4 736 B8R0.6 CNC(=O)NCCOC 273464a_100000209980_100102657272 [0,1,0,0,0,0|3,0,0]=4 737 B8R0.6 CNC(=O)NCCOC 273464a_100102657272_100000209980 [0,1,0,0,0,0|3,0,0]=4 738 B8R0.6 CNC(=O)NNCCO 273464a_100102657272_100000210001 [0,1,0,0,0,0|3,0,0]=4 739 B8R0.6 CNC(=O)NNCCO 512a_106832991638_100000210001 [0,1,0,0,0,0|3,0,0]=4 740 B8R0.6 CNC(=O)OCCOC 34a_100138415774_200011997002 [0,1,0,0,0,0|2,0,0]=3 741 B8R0.6 CNC(=O)OCCSC 62a_200000210301_200011997002 [0,1,0,0,0,0|2,1,0]=4 742 B8R0.6 CNC(=O)OCCSC 62a_200011997002_200000210301 [0,1,0,0,0,0|2,1,0]=4 743 B8R0.6 CNC(=O)OCCS[13CH3] 62a_200011997002_200025704644 [0,1,0,0,0,0|2,1,0]=4 744 B8R0.6 CNC(=O)OCCS[13CH3] 62a_200025704644_200011997002 [0,1,0,0,0,0|2,1,0]=4 745 B8R0.6 CNCCOC(=O)NC 34a_100102657272_200011997002 [0,1,0,0,0,0|3,0,0]=4 746 B8R0.6 CNCCOC(=O)NC 7a_106832991635_200011997002 [0,1,0,0,0,0|3,0,0]=4 747 B8R0.6 COC(=O)CNCCO 2230a_100016997473_100000747449 [0,1,0,0,0,0|3,0,0]=4 748 B8R0.6 COC(=O)CNCCO 34a_100016990907_100000747449 [0,1,0,0,0,0|3,0,0]=4 749 B8R0.6 COC(=O)COCCBr 34a_100000211926_100000747449 [0,1,0,0,0,0|3,0,0]=4 750 B8R0.6 COC(=O)COCCN 34a_100000210304_100000747449 [0,1,0,0,0,0|3,0,0]=4 751 B8R0.6 COC(=O)CSCCO 62a_100000211926_100000747449 [0,1,0,0,0,0|2,1,0]=4 752 B8R0.6 COC(=O)CSCCO 62a_100000747449_100000211926 [0,1,0,0,0,0|2,1,0]=4 753 B8R0.6 COC(=O)NCCO[13CH3] 34a_100000757965_200025704644 [0,1,0,0,0,0|3,0,0]=4 754 B8R0.6 COC(=O)OCCO[13CH3] 34a_100010262106_200025704644 [0,1,0,0,0,0|2,0,0]=3 755 B8R0.6 COC(=O)OCSCF 62a_100015361967_100000139417 [0,1,0,0,0,0|3,0,0]=4 756 B8R0.6 COCC=CC(=O)CF 1458a_100016285016_100015361967 [0,1,0,0,0,0|2,0,1]=4 757 B8R0.6 COCCCC(=O)CF 1458a_100000741012_100015361967 [0,1,0,0,0,0|2,0,0]=3 758 B8R0.6 COCCCC(=O)CO 1458a_100000210174_100000740836 [0,1,0,0,0,0|2,0,0]=3 759 B8R0.6 COCCCC(=O)NN 34a_100000211488_200000210301 [0,1,0,0,0,0|2,0,0]=3 760 B8R0.6 COCCCC(=O)OC 34a_100138415774_100000742333 [0,1,0,0,0,0|3,0,0]=4 761 B8R0.6 COCCC[C@@H](C)CN 34a_100160569302_200000210301 [0,1,0,0,0,0|2,0,1]=4 762 B8R0.6 COCCNC(=O)CO 240690a_100000209980_100000210174 [0,1,0,0,0,0|2,0,0]=3 763 B8R0.6 COCCNC(=O)CO 527a_100000209980_100000210174 [0,1,0,0,0,0|2,0,0]=3 764 B8R0.6 COCCNC(=O)OC 34a_100000757965_200000210301 [0,1,0,0,0,0|3,0,0]=4 765 B8R0.6 COCCOC(=O)OC 34a_100010262106_200000210301 [0,1,0,0,0,0|2,0,0]=3 766 B8R0.6 COCCOC(C)CF 34a_100016041109_100011201679 [0,1,0,0,0,0|2,0,1]=4 767 B8R0.6 COCCOC(C)CF 7a_100016041109_100000233755 [0,1,0,0,0,0|2,0,1]=4 768 B8R0.6 COCCOC(C)CN 34a_100000210904_100011201679 [0,1,0,0,0,0|1,0,1]=3 769 B8R0.6 COCCOC(C)CO 34a_100000210237_100012180447 [0,1,0,0,0,0|2,0,1]=4 770 B8R0.6 CSCCCC(=O)CF 1458a_100000173376_100015361967 [0,1,0,0,0,0|2,1,0]=4 771 B8R0.6 CSCCNC(=O)CO 240690a_100020590264_100000210174 [0,1,0,0,0,0|2,1,0]=4 772 B8R0.6 CSCCNC(=O)CO 527a_100020590264_100000210174 [0,1,0,0,0,0|2,1,0]=4 773 B8R0.6 CSCCOC(C)CN 34a_100000210904_100000212216 [0,1,0,0,0,0|1,1,1]=4 774 B8R0.6 C[C@@H](CN)CCCO[13CH3] 34a_100160569302_200025704644 [0,1,0,0,0,0|2,0,1]=4 775 B8R0.6 N#CCCCC(=O)CF 1458a_100000075515_100015361967 [0,1,0,0,0,0|3,0,0]=4 776 B8R0.6 N#CCCCC(=O)CO 1458a_100000210174_100000211468 [0,1,0,0,0,0|3,0,0]=4 777 B8R0.6 N#CCCNC(=O)CO 240690a_100000720768_100000210174 [0,1,0,0,0,0|3,0,0]=4 778 B8R0.6 N#CCCNC(=O)CO 527a_100000720768_100000210174 [0,1,0,0,0,0|3,0,0]=4 779 B8R0.6 NC[C@@H](F)COCCF 34a_100015665980_100011217306 [0,1,0,0,0,0|2,0,1]=4 780 B8R0.6 NC[C@@H](F)COCCO 34a_100015665980_100000211926 [0,1,0,0,0,0|1,0,1]=3 781 B8R0.6 O=C(CF)CCCCO 1458a_100000695505_100015361967 [0,1,0,0,0,0|2,0,0]=3 782 B8R0.6 O=C(CF)COCCO 1458a_100000708028_100015361967 [0,1,0,0,0,0|1,0,0]=2 783 B8R0.6 O=C(CO)CC#CCO 1458a_100000210174_200000047223 [0,1,0,0,0,0|2,0,1]=4 784 B8R0.6 O=C(CO)CCCCF 1458a_100000210174_100000729493 [0,1,0,0,0,0|3,0,0]=4 785 B8R0.6 O=C(CO)CCCCO 1458a_100000210174_100000210776 [0,1,0,0,0,0|2,0,0]=3 786 B8R0.6 O=C(CO)NCCCF 240690a_100015189416_100000210174 [0,1,0,0,0,0|3,0,0]=4 787 B8R0.6 O=C(CO)NCCCF 527a_100015189416_100000210174 [0,1,0,0,0,0|3,0,0]=4 788 B8R0.6 O=C(CO)NCCCO 240690a_100000182051_100000210174 [0,1,0,0,0,0|2,0,0]=3 789 B8R0.6 O=C(CO)NCCCO 527a_100000182051_100000210174 [0,1,0,0,0,0|2,0,0]=3 790 B8R0.6 O=C(CO)NNCCO 22a_100000210001_100000210174 [0,1,0,0,0,0|2,0,0]=3 791 B8R0.6 OCCOCC(Cl)CCl 34a_100000033668_100000211926 [0,1,0,0,0,0|2,0,1]=4 792 B8R0.6 [13CH3]OCCCC(=O)NN 34a_100000211488_200025704644 [0,1,0,0,0,0|2,0,0]=3 793 B8R0.8 C=C(C)C(=O)CCCO 1458a_100000185857_100011215043 [0,1,0,0,0,0|2,0,1]=4 794 B8R0.8 CC(C)C(=O)C#CCO 1458a_100000049017_100000210206 [0,1,0,0,0,0|2,0,1]=4 795 B8R0.8 CC(C)C(=O)CCCF 1458a_100000210198_100011934791 [0,1,0,0,0,0|3,0,0]=4 796 B8R0.8 CC(C)C(=O)CCCO 1458a_100000210198_100011215043 [0,1,0,0,0,0|2,0,0]=3 797 B8R0.8 CC(C)C(=O)NCCF 11a_100000724931_100000210198 [0,1,0,0,0,0|3,0,0]=4 798 B8R0.8 CC(C)C(=O)NCCF 1626a_100000724931_100000210198 [0,1,0,0,0,0|3,0,0]=4 799 B8R0.8 CC(C)C(=O)NCCF 240690a_100000724931_100000210198 [0,1,0,0,0,0|3,0,0]=4 800 B8R0.8 CC(C)C(=O)NCCF 527a_100000724931_100000210198 [0,1,0,0,0,0|3,0,0]=4 801 B8R0.8 CC(C)C(=O)NCCO 240690a_100000210304_100000210198 [0,1,0,0,0,0|2,0,0]=3 802 B8R0.8 CC(C)C(=O)NCCO 527a_100000210304_100000210198 [0,1,0,0,0,0|2,0,0]=3 803 B8R0.8 CC(C)C(=O)OCS[13CH3] 62a_100000139345_200025704644 [0,1,0,0,0,0|3,0,0]=4 804 B8R0.8 CC(C)C(=O)OCS[13CH3] 62a_200025704644_100000139345 [0,1,0,0,0,0|3,0,0]=4 805 B8R0.8 CC(C)C(C)OCCO 7a_100000748068_100000211926 [0,1,0,0,0,0|2,0,1]=4 806 B8R0.8 CC(F)C(=O)CCCF 1458a_100000062450_100011934791 [0,1,0,0,0,0|3,0,0]=4 807 B8R0.8 CC(F)C(=O)CCCO 1458a_100000062450_100011215043 [0,1,0,0,0,0|2,0,0]=3 808 B8R0.8 CC(F)C(=O)NCCF 11a_100000724931_100000062450 [0,1,0,0,0,0|3,0,0]=4 809 B8R0.8 CC(F)C(=O)NCCF 1626a_100000724931_100000062450 [0,1,0,0,0,0|3,0,0]=4 810 B8R0.8 CC(F)C(=O)NCCF 240690a_100000724931_100000062450 [0,1,0,0,0,0|3,0,0]=4 811 B8R0.8 CC(F)C(=O)NCCF 527a_100000724931_100000062450 [0,1,0,0,0,0|3,0,0]=4 812 B8R0.8 CC(F)C(=O)NCCO 240690a_100000210304_100000062450 [0,1,0,0,0,0|2,0,0]=3 813 B8R0.8 CC(F)C(=O)NCCO 527a_100000210304_100000062450 [0,1,0,0,0,0|2,0,0]=3 814 B8R0.8 CCCCC(=O)C(C)C 1458a_100000210183_100000210206 [0,1,0,0,0,0|3,0,0]=4 815 B8R0.8 CCCCC(=O)C(C)C 1458a_100000210198_100000210211 [0,1,0,0,0,0|3,0,0]=4 816 B8R0.8 CCCCC(=O)C(C)F 1458a_100000062450_100000210211 [0,1,0,0,0,0|3,0,0]=4 817 B8R0.8 CCCCC(=O)C(O)O 1458a_100000233687_100000210211 [0,1,0,0,0,0|3,0,0]=4 818 B8R0.8 CCCCC(=O)[C@@H](C)O 1458a_100000717761_100000210211 [0,1,0,0,0,0|3,0,0]=4 819 B8R0.8 CCCCC(=O)[C@H](C)O 1458a_217856618621_100000210211 [0,1,0,0,0,0|3,0,0]=4 820 B8R0.8 CCCNC(=O)C(=O)N 240690a_100020643023_100011215815 [0,1,0,0,0,0|2,0,1]=4 821 B8R0.8 CCCNC(=O)C(C)C 11a_100020643023_100000210198 [0,1,0,0,0,0|3,0,0]=4 822 B8R0.8 CCCNC(=O)C(C)C 1626a_100020643023_100000210198 [0,1,0,0,0,0|3,0,0]=4 823 B8R0.8 CCCNC(=O)C(C)C 240690a_100020643023_100000210198 [0,1,0,0,0,0|3,0,0]=4 824 B8R0.8 CCCNC(=O)C(C)C 527a_100020643023_100000210198 [0,1,0,0,0,0|3,0,0]=4 825 B8R0.8 CCCNC(=O)C(C)F 11a_100020643023_100000062450 [0,1,0,0,0,0|3,0,0]=4 826 B8R0.8 CCCNC(=O)C(C)F 1626a_100020643023_100000062450 [0,1,0,0,0,0|3,0,0]=4 827 B8R0.8 CCCNC(=O)C(C)F 240690a_100020643023_100000062450 [0,1,0,0,0,0|3,0,0]=4 828 B8R0.8 CCCNC(=O)C(C)F 527a_100020643023_100000062450 [0,1,0,0,0,0|3,0,0]=4 829 B8R0.8 CCCNC(=O)C(F)F 11a_100020643023_100000210393 [0,1,0,0,0,0|3,0,0]=4 830 B8R0.8 CCCNC(=O)C(F)F 1626a_100020643023_100000210393 [0,1,0,0,0,0|3,0,0]=4 831 B8R0.8 CCCNC(=O)C(F)F 240690a_100020643023_100000210393 [0,1,0,0,0,0|3,0,0]=4 832 B8R0.8 CCCNC(=O)C(F)F 527a_100020643023_100000210393 [0,1,0,0,0,0|3,0,0]=4 833 B8R0.8 CCCNC(=O)C(O)O 240690a_100020643023_100000233687 [0,1,0,0,0,0|3,0,0]=4 834 B8R0.8 CCCNC(=O)[C@@H](C)O 240690a_100020643023_100000717761 [0,1,0,0,0,0|3,0,0]=4 835 B8R0.8 CCCNC(=O)[C@H](C)O 1626a_100020643023_217856618621 [0,1,0,0,0,0|3,0,0]=4 836 B8R0.8 CCCNC(=O)[C@H](C)O 240690a_100020643023_217856618621 [0,1,0,0,0,0|3,0,0]=4 837 B8R0.8 CSCOC(=O)C(C)C 62a_100000139345_200000210301 [0,1,0,0,0,0|3,0,0]=4 838 B8R0.8 CSCOC(=O)C(C)C 62a_200000210301_100000139345 [0,1,0,0,0,0|3,0,0]=4 839 B8R0.8 C[C@@H](O)C(=O)CCCF 1458a_100000717761_100011934791 [0,1,0,0,0,0|3,0,0]=4 840 B8R0.8 C[C@@H](O)C(=O)CCCO 1458a_100000717761_100011215043 [0,1,0,0,0,0|2,0,0]=3 841 B8R0.8 C[C@@H](O)C(=O)NCCF 240690a_100000724931_100000717761 [0,1,0,0,0,0|3,0,0]=4 842 B8R0.8 C[C@@H](O)C(=O)NCCO 240690a_100000210304_100000717761 [0,1,0,0,0,0|2,0,0]=3 843 B8R0.8 C[C@@H](OCCO)C(=O)N 34a_100000731257_100000211926 [0,1,0,0,0,0|1,0,2]=4 844 B8R0.8 C[C@@H](OCCO)C(=O)N 7a_100000731257_100000211926 [0,1,0,0,0,0|1,0,2]=4 845 B8R0.8 C[C@H](O)C(=O)CCCF 1458a_217856618621_100011934791 [0,1,0,0,0,0|3,0,0]=4 846 B8R0.8 C[C@H](O)C(=O)CCCO 1458a_217856618621_100011215043 [0,1,0,0,0,0|2,0,0]=3 847 B8R0.8 C[C@H](O)C(=O)NCCF 1626a_100000724931_217856618621 [0,1,0,0,0,0|3,0,0]=4 848 B8R0.8 C[C@H](O)C(=O)NCCF 240690a_100000724931_217856618621 [0,1,0,0,0,0|3,0,0]=4 849 B8R0.8 C[C@H](O)C(=O)NCCO 240690a_100000210304_217856618621 [0,1,0,0,0,0|2,0,0]=3 850 B8R0.8 NC(=O)C(=O)NCCF 240690a_100000724931_100011215815 [0,1,0,0,0,0|2,0,1]=4 851 B8R0.8 NC(=O)C(=O)NCCO 240690a_100000210304_100011215815 [0,1,0,0,0,0|1,0,1]=3 852 B8R0.8 O=C(CCCF)C(O)O 1458a_100000233687_100011934791 [0,1,0,0,0,0|3,0,0]=4 853 B8R0.8 O=C(CCCO)C(O)O 1458a_100000233687_100011215043 [0,1,0,0,0,0|2,0,0]=3 854 B8R0.8 O=C(NCCF)C(F)F 11a_100000724931_100000210393 [0,1,0,0,0,0|3,0,0]=4 855 B8R0.8 O=C(NCCF)C(F)F 1626a_100000724931_100000210393 [0,1,0,0,0,0|3,0,0]=4 856 B8R0.8 O=C(NCCF)C(F)F 240690a_100000724931_100000210393 [0,1,0,0,0,0|3,0,0]=4 857 B8R0.8 O=C(NCCF)C(F)F 527a_100000724931_100000210393 [0,1,0,0,0,0|3,0,0]=4 858 B8R0.8 O=C(NCCF)C(O)O 240690a_100000724931_100000233687 [0,1,0,0,0,0|3,0,0]=4 859 B8R0.8 O=C(NCCO)C(F)F 240690a_100000210304_100000210393 [0,1,0,0,0,0|2,0,0]=3 860 B8R0.8 O=C(NCCO)C(F)F 527a_100000210304_100000210393 [0,1,0,0,0,0|2,0,0]=3 861 B8R0.8 O=C(NCCO)C(O)O 240690a_100000210304_100000233687 [0,1,0,0,0,0|2,0,0]=3 862 B8R0.9 C#CC(=O)CCC(C)O 1458a_100000211873_100012276601 [0,1,0,0,0,0|2,0,1]=4 863 B8R0.9 C=CC(=O)CCC(C)O 1458a_100000185746_100012276601 [0,1,0,0,0,0|2,0,1]=4 864 B8R0.9 C=CC(=O)NCC(C)O 240690a_100000210904_200121576911 [0,1,0,0,0,0|2,0,1]=4 865 B8R0.9 CC(C)CCC(=O)CF 1458a_100000181311_100015361967 [0,1,0,0,0,0|3,0,0]=4 866 B8R0.9 CC(C)CCC(=O)CO 1458a_100000210174_100000210312 [0,1,0,0,0,0|3,0,0]=4 867 B8R0.9 CC(C)CNC(=O)CO 240690a_100000210953_100000210174 [0,1,0,0,0,0|3,0,0]=4 868 B8R0.9 CC(C)CNC(=O)CO 527a_100000210953_100000210174 [0,1,0,0,0,0|3,0,0]=4 869 B8R0.9 CC(C)COC(C)CN 34a_100000210904_100000210624 [0,1,0,0,0,0|2,0,1]=4 870 B8R0.9 CC(CF)OC[C@@H](C)O 34a_100016041109_100009817552 [0,1,0,0,0,0|2,0,1]=4 871 B8R0.9 CC(CF)OC[C@@H](C)O 7a_100016041109_100009817552 [0,1,0,0,0,0|2,0,1]=4 872 B8R0.9 CC(CN)OCC(F)F 34a_100000210904_100011934356 [0,1,0,0,0,0|2,0,1]=4 873 B8R0.9 CC(CN)OC[C@@H](C)O 34a_100000210904_100009817552 [0,1,0,0,0,0|1,0,1]=3 874 B8R0.9 CC(O)CCC(=O)CO 1458a_100000210174_100012276601 [0,1,0,0,0,0|2,0,0]=3 875 B8R0.9 CC(O)CNC(=O)CO 240690a_100000210904_100000210174 [0,1,0,0,0,0|2,0,0]=3 876 B8R0.9 CC(O)CNC(=O)CO 527a_100000210904_100000210174 [0,1,0,0,0,0|2,0,0]=3 877 B8R0.9 CC(O)COC(C)CF 34a_100016041109_100011218427 [0,1,0,0,0,0|2,0,1]=4 878 B8R0.9 CC(O)COC(C)CF 7a_100016041109_100011218427 [0,1,0,0,0,0|2,0,1]=4 879 B8R0.9 CC(O)COC(C)CN 34a_100000210904_100011218427 [0,1,0,0,0,0|1,0,1]=3 880 B8R0.9 CCC(=O)CCC(C)C 1458a_100000181311_100000210202 [0,1,0,0,0,0|3,0,0]=4 881 B8R0.9 CCC(=O)CCC(C)C 1458a_100000210414_100000210312 [0,1,0,0,0,0|3,0,0]=4 882 B8R0.9 CCC(=O)CCC(C)O 1458a_100000210414_100012276601 [0,1,0,0,0,0|2,0,0]=3 883 B8R0.9 CCC(=O)NCC(C)C 11a_100000210953_100000210414 [0,1,0,0,0,0|3,0,0]=4 884 B8R0.9 CCC(=O)NCC(C)C 1626a_100000210953_100000210414 [0,1,0,0,0,0|3,0,0]=4 885 B8R0.9 CCC(=O)NCC(C)C 240690a_100000210953_100000210414 [0,1,0,0,0,0|3,0,0]=4 886 B8R0.9 CCC(=O)NCC(C)C 527a_100000210953_100000210414 [0,1,0,0,0,0|3,0,0]=4 887 B8R0.9 CCC(=O)NCC(C)O 11a_100000210904_100000210414 [0,1,0,0,0,0|2,0,0]=3 888 B8R0.9 CCC(=O)NCC(C)O 240690a_100000210904_100000210414 [0,1,0,0,0,0|2,0,0]=3 889 B8R0.9 CCC(=O)NCC(C)O 527a_100000210904_100000210414 [0,1,0,0,0,0|2,0,0]=3 890 B8R0.9 CCC(=O)NCC(F)F 11a_100000765723_100000210414 [0,1,0,0,0,0|3,0,0]=4 891 B8R0.9 CCC(=O)NCC(F)F 1626a_100000765723_100000210414 [0,1,0,0,0,0|3,0,0]=4 892 B8R0.9 CCC(=O)NCC(F)F 240690a_100000765723_100000210414 [0,1,0,0,0,0|3,0,0]=4 893 B8R0.9 CCC(=O)NCC(F)F 527a_100000765723_100000210414 [0,1,0,0,0,0|3,0,0]=4 894 B8R0.9 CCC(C)OCC(C)O 7a_100000210228_100011218427 [0,1,0,0,0,0|2,0,1]=4 895 B8R0.9 CCC(C)OC[C@@H](C)O 7a_100000210228_100009817552 [0,1,0,0,0,0|2,0,1]=4 896 B8R0.9 CNC(=O)CCC(C)O 1626a_100102657272_100000718519 [0,1,0,0,0,0|3,0,0]=4 897 B8R0.9 CNC(=O)NCC(C)O 2708a_100102657272_100000210904 [0,1,0,0,0,0|3,0,0]=4 898 B8R0.9 CNC(=O)NCC(C)O 273464a_100000210904_100102657272 [0,1,0,0,0,0|3,0,0]=4 899 B8R0.9 CNC(=O)NCC(C)O 273464a_100102657272_100000210904 [0,1,0,0,0,0|3,0,0]=4 900 B8R0.9 CNC(=O)NCC(C)O 512a_100000210904_100102657272 [0,1,0,0,0,0|3,0,0]=4 901 B8R0.9 CNC(=O)NCC(C)O 512a_106832991638_100000210904 [0,1,0,0,0,0|3,0,0]=4 902 B8R0.9 O=C(CO)NCC(F)F 240690a_100000765723_100000210174 [0,1,0,0,0,0|3,0,0]=4 903 B8R0.9 O=C(CO)NCC(F)F 527a_100000765723_100000210174 [0,1,0,0,0,0|3,0,0]=4 904 B8R0.11 C#CC(CC)OCCO 34a_100000758843_100000211926 [0,1,0,0,0,0|2,0,1]=4 905 B8R0.11 C#CC(CC)OCCO 7a_100000758843_100000211926 [0,1,0,0,0,0|2,0,1]=4 906 B8R0.11 C=CC(CC)OCCO 34a_100000766422_100000211926 [0,1,0,0,0,0|2,0,1]=4 907 B8R0.11 C=CC(CC)OCCO 7a_100000766422_100000211926 [0,1,0,0,0,0|2,0,1]=4 908 B8R0.11 CCC(CC)OCCO 7a_100000688536_100000211926 [0,1,0,0,0,0|2,0,1]=4 909 B8R0.11 CCCOC(CN)CN 34a_100000031598_100000210303 [0,1,0,0,0,0|2,0,1]=4 910 B8R0.11 NCC(CN)OCCF 34a_100000031598_100011217306 [0,1,0,0,0,0|2,0,1]=4 911 B8R0.11 NCC(CN)OCCO 34a_100000031598_100000211926 [0,1,0,0,0,0|1,0,1]=3 912 B8R0.11 OCCOC(CCl)CCl 7a_100000737055_100000211926 [0,1,0,0,0,0|2,0,1]=4 913 B8R0.11 OCCOC(CF)CF 34a_100000032261_100000211926 [0,1,0,0,0,0|2,0,1]=4 914 B8R0.11 OCCOC(CF)CF 7a_100000032261_100000211926 [0,1,0,0,0,0|2,0,1]=4 915 B8R0.11 OCCO[C@@H](CF)CCl 34a_100015614560_100000211926 [0,1,0,0,0,0|2,0,1]=4 916 B8R0.11 OCCO[C@@H](CF)CCl 7a_100015614560_100000211926 [0,1,0,0,0,0|2,0,1]=4 917 B8R0.19 C#CC(=O)C[C@@H](C)CO 1458a_100000211873_100000059175 [0,1,0,0,0,0|2,0,1]=4 918 B8R0.19 C=CC(=O)C[C@@H](C)CO 1458a_100000185746_100000059175 [0,1,0,0,0,0|2,0,1]=4 919 B8R0.19 C=CC(=O)N[C@H](C)CO 240690a_100000737577_200121576911 [0,1,0,0,0,0|2,0,1]=4 920 B8R0.19 CC(CN)OC(C)CO 34a_100000210904_100012180447 [0,1,0,0,0,0|1,0,1]=3 921 B8R0.19 CC(CO)OC(C)CF 34a_100016041109_100012180447 [0,1,0,0,0,0|2,0,1]=4 922 B8R0.19 CC(CO)OC(C)CF 7a_100016041109_100012180447 [0,1,0,0,0,0|2,0,1]=4 923 B8R0.19 CCC(=O)CC(=O)CO 1458a_100000210174_100000747405 [0,1,0,0,0,0|2,0,1]=4 924 B8R0.19 CCC(=O)CC(C)CC 1458a_100000210414_100000748023 [0,1,0,0,0,0|3,0,0]=4 925 B8R0.19 CCC(=O)CC(C)CC 1458a_100000708755_100000210202 [0,1,0,0,0,0|3,0,0]=4 926 B8R0.19 CCC(=O)CC(O)CC 1458a_100000210414_100011218378 [0,1,0,0,0,0|3,0,0]=4 927 B8R0.19 CCC(=O)CC(O)CC 1458a_100011667805_100000210202 [0,1,0,0,0,0|3,0,0]=4 928 B8R0.19 CCC(=O)C[C@@H](C)CC 1458a_100000210414_100009816398 [0,1,0,0,0,0|3,0,0]=4 929 B8R0.19 CCC(=O)C[C@@H](C)CO 1458a_100000210414_100000059175 [0,1,0,0,0,0|2,0,0]=3 930 B8R0.19 CCC(=O)NC(C)CC 11a_100000209981_100000210414 [0,1,0,0,0,0|3,0,0]=4 931 B8R0.19 CCC(=O)NC(C)CC 1626a_100000209981_100000210414 [0,1,0,0,0,0|3,0,0]=4 932 B8R0.19 CCC(=O)NC(C)CC 240690a_100000209981_100000210414 [0,1,0,0,0,0|3,0,0]=4 933 B8R0.19 CCC(=O)NC(C)CC 527a_100000209981_100000210414 [0,1,0,0,0,0|3,0,0]=4 934 B8R0.19 CCC(=O)N[C@H](C)CF 11a_100102880703_100000210414 [0,1,0,0,0,0|3,0,0]=4 935 B8R0.19 CCC(=O)N[C@H](C)CF 1626a_100102880703_100000210414 [0,1,0,0,0,0|3,0,0]=4 936 B8R0.19 CCC(=O)N[C@H](C)CF 240690a_100102880703_100000210414 [0,1,0,0,0,0|3,0,0]=4 937 B8R0.19 CCC(=O)N[C@H](C)CF 527a_100102880703_100000210414 [0,1,0,0,0,0|3,0,0]=4 938 B8R0.19 CCC(=O)N[C@H](C)CO 240690a_100000737577_100000210414 [0,1,0,0,0,0|2,0,0]=3 939 B8R0.19 CCC(=O)N[C@H](C)CO 527a_100000737577_100000210414 [0,1,0,0,0,0|2,0,0]=3 940 B8R0.19 CCC(C)CC(=O)CF 1458a_100000708755_100015361967 [0,1,0,0,0,0|3,0,0]=4 941 B8R0.19 CCC(C)CC(=O)CO 1458a_100000210174_100000748023 [0,1,0,0,0,0|3,0,0]=4 942 B8R0.19 CCC(C)NC(=O)CO 240690a_100000209981_100000210174 [0,1,0,0,0,0|3,0,0]=4 943 B8R0.19 CCC(C)NC(=O)CO 527a_100000209981_100000210174 [0,1,0,0,0,0|3,0,0]=4 944 B8R0.19 CCC(C)OC(C)CN 34a_100000210904_100011215416 [0,1,0,0,0,0|2,0,1]=4 945 B8R0.19 CCC(C)OC(C)CO 7a_100000210228_100012180447 [0,1,0,0,0,0|2,0,1]=4 946 B8R0.19 CCC(O)CC(=O)CF 1458a_100011667805_100015361967 [0,1,0,0,0,0|3,0,0]=4 947 B8R0.19 CCC(O)CC(=O)CO 1458a_100000210174_100011218378 [0,1,0,0,0,0|3,0,0]=4 948 B8R0.19 CC[C@H](C)CC(=O)CO 1458a_100000210174_100009816398 [0,1,0,0,0,0|3,0,0]=4 949 B8R0.19 CNC(=O)N[C@H](C)CO 2708a_100102657272_100000737577 [0,1,0,0,0,0|3,0,0]=4 950 B8R0.19 CNC(=O)N[C@H](C)CO 273464a_100000737577_100102657272 [0,1,0,0,0,0|3,0,0]=4 951 B8R0.19 CNC(=O)N[C@H](C)CO 512a_100000737577_100102657272 [0,1,0,0,0,0|3,0,0]=4 952 B8R0.19 CNC(=O)N[C@H](C)CO 512a_106832991638_100000737577 [0,1,0,0,0,0|3,0,0]=4 953 B8R0.19 C[C@@H](CO)CC(=O)CO 1458a_100000210174_100000059175 [0,1,0,0,0,0|2,0,0]=3 954 B8R0.19 C[C@H](CF)NC(=O)CO 240690a_100102880703_100000210174 [0,1,0,0,0,0|3,0,0]=4 955 B8R0.19 C[C@H](CF)NC(=O)CO 527a_100102880703_100000210174 [0,1,0,0,0,0|3,0,0]=4 956 B8R0.19 C[C@H](CO)NC(=O)CO 240690a_100000737577_100000210174 [0,1,0,0,0,0|2,0,0]=3 957 B8R0.19 C[C@H](CO)NC(=O)CO 527a_100000737577_100000210174 [0,1,0,0,0,0|2,0,0]=3 958 B8R0.25 CC(C)(CCl)OCCO 7a_100000764493_100000211926 [0,1,0,0,0,0|2,0,1]=4 959 B8R0.25 CCC(C)(C)OCCO 7a_100000210230_100000211926 [0,1,0,0,0,0|2,0,1]=4 960 B8R0.25 CCS(=O)(=O)NCCO 270084a_100000210304_100000211323 [0,1,0,0,0,0|3,0,0]=4 961 B8R0.25 CCS(=O)(=O)NCCO 274078a_100000210304_100000211323 [0,1,0,0,0,0|3,0,0]=4 962 B8R0.25 CCS(=O)(=O)NCCO 40a_100000210304_100000053943 [0,1,0,0,0,0|3,0,0]=4 963 B8R0.25 O=S(=O)(CCl)NCCO 270084a_100000210304_100000031410 [0,1,0,0,0,0|3,0,0]=4 964 B8R0.25 O=S(=O)(CCl)NCCO 274078a_100000210304_100000031410 [0,1,0,0,0,0|3,0,0]=4 965 B8R1.10 OCCOC1CCC1 34a_100000748187_100000211926 [0,0,0,1,0,0|2,0,1]=4 966 B8R1.10 OCCOC1CSC1 7a_100000072292_100000211926 [0,0,0,1,0,0|2,0,1]=4 967 B8R1.38 CCC(=O)C1CCC1 1458a_100000209988_100000210202 [0,0,0,1,0,0|3,0,0]=4 968 B8R1.38 CCC(=O)C1CCC1 1458a_100000210414_100000749161 [0,0,0,1,0,0|3,0,0]=4 969 B8R1.38 CCC(=O)C1CCO1 1458a_100000089072_100000210202 [0,0,0,1,0,0|2,0,0]=3 970 B8R1.38 CCC(=O)N1CCC1 11a_100000754969_100000210414 [0,0,0,1,0,0|3,0,0]=4 971 B8R1.38 CCC(=O)N1CCC1 240690a_100000754969_100000210414 [0,0,0,1,0,0|3,0,0]=4 972 B8R1.38 CCC(=O)N1CCC1 527a_100000754969_100000210414 [0,0,0,1,0,0|3,0,0]=4 973 B8R1.38 CNC(=O)C1CCO1 11a_106832991635_100000089072 [0,0,0,1,0,0|3,0,0]=4 974 B8R1.38 CNC(=O)C1CCO1 1626a_100102657272_100000089072 [0,0,0,1,0,0|3,0,0]=4 975 B8R1.38 CNC(=O)C1CCO1 240690a_100102657272_100000089072 [0,0,0,1,0,0|3,0,0]=4 976 B8R1.38 CNC(=O)C1CCO1 527a_100102657272_100000089072 [0,0,0,1,0,0|3,0,0]=4 977 B8R1.38 O=C(CF)C1CCC1 1458a_100000209988_100015361967 [0,0,0,1,0,0|3,0,0]=4 978 B8R1.38 O=C(CF)C1CCO1 1458a_100000089072_100015361967 [0,0,0,1,0,0|2,0,0]=3 979 B8R1.38 O=C(CO)C1CCC1 1458a_100000210174_100000749161 [0,0,0,1,0,0|3,0,0]=4 980 B8R1.38 O=C(CO)N1CCC1 240690a_100000754969_100000210174 [0,0,0,1,0,0|3,0,0]=4 981 B8R1.38 O=C(CO)N1CCC1 527a_100000754969_100000210174 [0,0,0,1,0,0|3,0,0]=4 982 B8R1.40 C#CC(=O)CC1CO1 1458a_100000211873_100011216344 [0,0,0,1,0,0|2,0,1]=4 983 B8R1.40 C#CC(=O)C[C@@H]1CO1 1458a_100000211873_100000745022 [0,0,0,1,0,0|2,0,1]=4 984 B8R1.40 C=CC(=O)CC1CO1 1458a_100000185746_100011216344 [0,0,0,1,0,0|2,0,1]=4 985 B8R1.40 C=CC(=O)C[C@@H]1CO1 1458a_100000185746_100000745022 [0,0,0,1,0,0|2,0,1]=4 986 B8R1.40 CC(CN)OC1CC1 34a_100000210904_100000211595 [0,0,0,1,0,0|2,0,1]=4 987 B8R1.40 CCC(=O)CC1CC1 1458a_100000210414_100000742324 [0,0,0,1,0,0|3,0,0]=4 988 B8R1.40 CCC(=O)CC1CC1 1458a_100000738066_100000210202 [0,0,0,1,0,0|3,0,0]=4 989 B8R1.40 CCC(=O)CC1CO1 1458a_100000210414_100011216344 [0,0,0,1,0,0|2,0,0]=3 990 B8R1.40 CCC(=O)CC1CS1 1458a_100000210414_100000031435 [0,0,0,1,0,0|2,1,0]=4 991 B8R1.40 CCC(=O)C[C@@H]1CO1 1458a_100000210414_100000745022 [0,0,0,1,0,0|2,0,0]=3 992 B8R1.40 CCC(=O)NC1CC1 1626a_100000212008_100000210414 [0,0,0,1,0,0|3,0,0]=4 993 B8R1.40 CCC(=O)NC1CC1 240690a_100000212008_100000210414 [0,0,0,1,0,0|3,0,0]=4 994 B8R1.40 CCC(=O)NC1CC1 527a_100000212008_100000210414 [0,0,0,1,0,0|3,0,0]=4 995 B8R1.40 O=C(CF)CC1CC1 1458a_100000738066_100015361967 [0,0,0,1,0,0|3,0,0]=4 996 B8R1.40 O=C(CO)CC1CC1 1458a_100000210174_100000742324 [0,0,0,1,0,0|3,0,0]=4 997 B8R1.40 O=C(CO)CC1CO1 1458a_100000210174_100011216344 [0,0,0,1,0,0|2,0,0]=3 998 B8R1.40 O=C(CO)CC1CS1 1458a_100000210174_100000031435 [0,0,0,1,0,0|2,1,0]=4 999 B8R1.40 O=C(CO)C[C@@H]1CO1 1458a_100000210174_100000745022 [0,0,0,1,0,0|2,0,0]=3 1000 B8R1.40 O=C(CO)NC1CC1 240690a_100000212008_100000210174 [0,0,0,1,0,0|3,0,0]=4 1001 B8R1.40 O=C(CO)NC1CC1 527a_100000212008_100000210174 [0,0,0,1,0,0|3,0,0]=4 1002 B8R1.41 CC1(CC1)OCCO 7a_100011725673_100000211926 [0,0,0,1,0,0|2,0,1]=4 1003 B8R1.83 CC1CC1C(=O)CF 1458a_100000211227_100015361967 [0,0,0,1,0,0|3,0,0]=4 1004 B8R1.83 CCC(=O)C1CC1C 1458a_100000211227_100000210202 [0,0,0,1,0,0|3,0,0]=4 1005 B8R1.83 CCC(=O)[C@@H]1C[C@@H]1F 1458a_100015396687_100000210202 [0,0,0,1,0,0|3,0,0]=4 1006 B8R1.83 O=C(CF)[C@@H]1C[C@@H]1F 1458a_100015396687_100015361967 [0,0,0,1,0,0|3,0,0]=4 1007 B5R0.1 C#CCC(=O)C 1458a_100000070787_100000184674 [2,0,0,0,0,0|1,0,1]=4 1008 B5R0.1 C#CCC(=O)C 1458a_100011220946_200000210301 [2,0,0,0,0,0|1,0,1]=4 1009 B5R0.1 C#CCC(=O)[13CH3] 1458a_100011220946_200025704644 [2,0,0,0,0,0|1,0,1]=4 1010 B5R0.1 C=CCC(=O)C 1458a_100000070787_100000210623 [2,0,0,0,0,0|1,0,1]=4 1011 B5R0.1 C=CCC(=O)C 1458a_100000210193_200000210301 [2,0,0,0,0,0|1,0,1]=4 1012 B5R0.1 C=CCC(=O)[13CH3] 1458a_100000210193_200025704644 [2,0,0,0,0,0|1,0,1]=4 1013 B5R0.1 CC#CC(=O)C 1458a_100000763181_200000210301 [2,0,0,0,0,0|1,0,1]=4 1014 B5R0.1 CC#CC(=O)[13CH3] 1458a_100000763181_200025704644 [2,0,0,0,0,0|1,0,1]=4 1015 B5R0.1 CC(=O)CC#N 1458a_100000070787_100011214920 [2,0,0,0,0,0|1,0,1]=4 1016 B5R0.1 CC(=O)CC#N 1458a_100051588842_200000210301 [2,0,0,0,0,0|1,0,1]=4 1017 B5R0.1 CC(=O)CCF 1458a_100000070787_100011217306 [2,0,0,0,0,0|1,0,0]=3 1018 B5R0.1 CC(=O)CCO 1458a_100000070787_100000211926 [2,0,0,0,0,0|0,0,0]=2 1019 B5R0.1 CC(=O)CCO 1458a_100011216618_200000210301 [2,0,0,0,0,0|0,0,0]=2 1020 B5R0.1 CC(=O)CO[13CH3] 34a_100000211253_200025704644 [2,0,0,0,0,0|2,0,0]=4 1021 B5R0.1 CC=CC(=O)C 1458a_100000210699_200000210301 [2,0,0,0,0,0|1,0,1]=4 1022 B5R0.1 CC=CC(=O)[13CH3] 1458a_100000210699_200025704644 [2,0,0,0,0,0|1,0,1]=4 1023 B5R0.1 CCCC(=O)C 1458a_100000070787_100000210303 [2,0,0,0,0,0|1,0,0]=3 1024 B5R0.1 CCCC(=O)C 1458a_100000211992_200000210301 [2,0,0,0,0,0|1,0,0]=3 1025 B5R0.1 CCCC(=O)[13CH3] 1458a_100000211992_200025704644 [2,0,0,0,0,0|1,0,0]=3 1026 B5R0.1 CCNC(=O)C 11a_100015525214_100015343762 [2,0,0,0,0,0|1,0,0]=3 1027 B5R0.1 CCNC(=O)C 240690a_100015525214_100015343762 [2,0,0,0,0,0|1,0,0]=3 1028 B5R0.1 CCNC(=O)C 527a_100015525214_100103153847 [2,0,0,0,0,0|1,0,0]=3 1029 B5R0.1 CCOC(C)C 34a_100000212225_100000210202 [2,0,0,0,0,0|1,0,1]=4 1030 B5R0.1 CCOC(C)C 34a_100121572206_100000210206 [2,0,0,0,0,0|1,0,1]=4 1031 B5R0.1 CN(C)CCO 2230a_100000210263_200000210301 [2,0,0,0,0,0|2,0,0]=4 1032 B5R0.1 CN(C)CCO 2230a_100102631434_100000211926 [2,0,0,0,0,0|2,0,0]=4 1033 B5R0.1 CN(C)CCO 269982a_100000210263_200000210301 [2,0,0,0,0,0|2,0,0]=4 1034 B5R0.1 CN(C)CCO 269982a_100102631434_100000211926 [2,0,0,0,0,0|2,0,0]=4 1035 B5R0.1 CN([13CH3])CCO 2230a_100000210263_200025704644 [2,0,0,0,0,0|2,0,0]=4 1036 B5R0.1 CN([13CH3])CCO 269982a_100000210263_200025704644 [2,0,0,0,0,0|2,0,0]=4 1037 B5R0.1 CNCC(=O)N 2230a_100000711301_200000210301 [2,0,0,0,0,0|2,0,0]=4 1038 B5R0.1 CNCC(=O)N 2230a_106832991635_100000747473 [2,0,0,0,0,0|2,0,0]=4 1039 B5R0.1 CNCC(=O)N 34a_100102657272_100000187820 [2,0,0,0,0,0|2,0,0]=4 1040 B5R0.1 CNCC(=O)N 7a_106832991635_100000187820 [2,0,0,0,0,0|2,0,0]=4 1041 B5R0.1 CNNC(=O)C 22a_100016993582_100000070787 [2,0,0,0,0,0|2,0,0]=4 1042 B5R0.1 COCC(=O)C 1458a_100000210968_200000210301 [2,0,0,0,0,0|2,0,0]=4 1043 B5R0.1 COCC(=O)C 34a_100000211253_200000210301 [2,0,0,0,0,0|2,0,0]=4 1044 B5R0.1 COCC(=O)N 34a_100138415774_100000187820 [2,0,0,0,0,0|2,0,0]=4 1045 B5R0.1 COCC(=O)[13CH3] 1458a_100000210968_200025704644 [2,0,0,0,0,0|2,0,0]=4 1046 B5R0.1 CSCC(=O)C 1458a_100000184570_200000210301 [2,0,0,0,0,0|2,0,0]=4 1047 B5R0.1 CSCC(=O)N 62a_100000747473_200000210301 [2,0,0,0,0,0|2,0,0]=4 1048 B5R0.1 CSCC(=O)N 62a_200000210301_100000747473 [2,0,0,0,0,0|2,0,0]=4 1049 B5R0.1 CSCC(=O)[13CH3] 1458a_100000184570_200025704644 [2,0,0,0,0,0|2,0,0]=4 1050 B5R0.1 [13CH3]C(=O)CC#N 1458a_100051588842_200025704644 [2,0,0,0,0,0|1,0,1]=4 1051 B5R0.1 [13CH3]C(=O)CCO 1458a_100011216618_200025704644 [2,0,0,0,0,0|0,0,0]=2 1052 B5R0.1 [13CH3]NCC(=O)N 2230a_100000711301_200025704644 [2,0,0,0,0,0|2,0,0]=4 1053 B5R0.1 [13CH3]SCC(=O)N 62a_100000747473_200025704644 [2,0,0,0,0,0|2,0,0]=4 1054 B5R0.1 [13CH3]SCC(=O)N 62a_200025704644_100000747473 [2,0,0,0,0,0|2,0,0]=4 1055 B5R0.2 CCCOCC 34a_100000210258_100000210202 [2,0,0,0,0,0|1,0,1]=4 1056 B5R0.2 CCCOCC 34a_100121572206_100000210303 [2,0,0,0,0,0|1,0,1]=4 1057 B5R0.2 CCCOCF 34a_100000210258_100015361967 [2,0,0,0,0,0|2,0,0]=4 1058 B5R0.2 CCNCCO 2230a_100015525214_100000211926 [2,0,0,0,0,0|1,0,1]=4 1059 B5R0.2 CCNCCO 2230a_100016997473_100000210202 [2,0,0,0,0,0|1,0,1]=4 1060 B5R0.2 CCNCCO 34a_100016990907_100000210202 [2,0,0,0,0,0|1,0,1]=4 1061 B5R0.2 CCOCCBr 34a_100000211926_100000210202 [2,0,0,0,0,0|1,0,1]=4 1062 B5R0.2 CCOCCF 34a_100121572206_100011217306 [2,0,0,0,0,0|1,0,1]=4 1063 B5R0.2 CCOCCN 34a_100000210304_100000210202 [2,0,0,0,0,0|0,0,1]=3 1064 B5R0.2 CCOCCO 34a_100121572206_100000211926 [2,0,0,0,0,0|0,0,1]=3 1065 B5R0.2 CCSCCO 62a_100000210202_100000211926 [2,0,0,0,0,0|0,1,1]=4 1066 B5R0.2 CCSCCO 62a_100000211926_100000210202 [2,0,0,0,0,0|0,1,1]=4 1067 B5R0.2 CNCCCO 2230a_106832991635_100000230001 [2,0,0,0,0,0|2,0,0]=4 1068 B5R0.2 CNCCCO 34a_100102657272_100000230001 [2,0,0,0,0,0|2,0,0]=4 1069 B5R0.2 CNCCCO 7a_106832991635_100011215043 [2,0,0,0,0,0|2,0,0]=4 1070 B5R0.2 COCCCO 34a_100138415774_100000230001 [2,0,0,0,0,0|2,0,0]=4 1071 B5R0.2 CSCCCO 62a_100011215043_200000210301 [2,0,0,0,0,0|2,0,0]=4 1072 B5R0.2 CSCCCO 62a_200000210301_100011215043 [2,0,0,0,0,0|2,0,0]=4 1073 B5R0.2 FCOCCBr 34a_100000211926_100015361967 [2,0,0,0,0,0|2,0,0]=4 1074 B5R0.2 NCCOCF 34a_100000210304_100015361967 [2,0,0,0,0,0|1,0,1]=4 1075 B5R0.2 OCCNCF 34a_100016990907_100015361967 [2,0,0,0,0,0|2,0,0]=4 1076 B5R0.2 OCCSCF 62a_100000211926_100015361967 [2,0,0,0,0,0|1,1,0]=4 1077 B5R0.2 OCCSCF 62a_100015361967_100000211926 [2,0,0,0,0,0|1,1,0]=4 1078 B5R0.2 [13CH3]SCCCO 62a_100011215043_200025704644 [2,0,0,0,0,0|2,0,0]=4 1079 B5R0.2 [13CH3]SCCCO 62a_200025704644_100011215043 [2,0,0,0,0,0|2,0,0]=4 1080 B5R0.3 C#CC(=O)CC 1458a_100000211873_100000210202 [2,0,0,0,0,0|1,0,1]=4 1081 B5R0.3 C=CC(=O)CC 1458a_100000185746_100000210202 [2,0,0,0,0,0|1,0,1]=4 1082 B5R0.3 CC(CN)O[13CH3] 34a_100000210904_200025704644 [2,0,0,0,0,0|1,0,1]=4 1083 B5R0.3 CCC(=O)CC 1458a_100000210414_100000210202 [2,0,0,0,0,0|1,0,0]=3 1084 B5R0.3 CCC(=O)CF 1458a_100000210414_100015361967 [2,0,0,0,0,0|1,0,0]=3 1085 B5R0.3 CCC(=O)CO 1458a_100000210174_100000210202 [2,0,0,0,0,0|1,0,0]=3 1086 B5R0.3 CCC(=O)NC 11a_106832991635_100000210414 [2,0,0,0,0,0|2,0,0]=4 1087 B5R0.3 CCC(=O)NC 1626a_100102657272_100000210414 [2,0,0,0,0,0|2,0,0]=4 1088 B5R0.3 CCC(=O)NC 240690a_100102657272_100000210414 [2,0,0,0,0,0|2,0,0]=4 1089 B5R0.3 CCC(=O)NC 527a_100102657272_100000210414 [2,0,0,0,0,0|2,0,0]=4 1090 B5R0.3 CNC(=O)CO 240690a_100102657272_100000210174 [2,0,0,0,0,0|2,0,0]=4 1091 B5R0.3 CNC(=O)CO 527a_100102657272_100000210174 [2,0,0,0,0,0|2,0,0]=4 1092 B5R0.3 COC(C)CN 34a_100000210904_200000210301 [2,0,0,0,0,0|1,0,1]=4 1093 B5R0.3 O=C(CO)CF 1458a_100000210174_100015361967 [2,0,0,0,0,0|1,0,0]=3 1094 B7R0.2 C#CC(=O)CC(C)O 1458a_100000211873_100011218427 [1,1,0,0,0,0|1,0,1]=4 1095 B7R0.2 C=CC(=O)CC(C)O 1458a_100000185746_100011218427 [1,1,0,0,0,0|1,0,1]=4 1096 B7R0.2 CC(C)CC(=O)CF 1458a_100000210554_100015361967 [1,1,0,0,0,0|2,0,0]=4 1097 B7R0.2 CC(C)CC(=O)CO 1458a_100000210174_100000210624 [1,1,0,0,0,0|2,0,0]=4 1098 B7R0.2 CC(C)NC(=O)CO 240690a_100138425928_100000210174 [1,1,0,0,0,0|2,0,0]=4 1099 B7R0.2 CC(C)NC(=O)CO 527a_100138425928_100000210174 [1,1,0,0,0,0|2,0,0]=4 1100 B7R0.2 CC(C)OC(C)CN 34a_100000210904_100000210206 [1,1,0,0,0,0|1,0,1]=4 1101 B7R0.2 CC(O)CC(=O)CO 1458a_100000210174_100011218427 [1,1,0,0,0,0|1,0,0]=3 1102 B7R0.2 CCC(=O)CC(C)C 1458a_100000210414_100000210624 [1,1,0,0,0,0|2,0,0]=4 1103 B7R0.2 CCC(=O)CC(C)C 1458a_100000210554_100000210202 [1,1,0,0,0,0|2,0,0]=4 1104 B7R0.2 CCC(=O)CC(C)O 1458a_100000210414_100011218427 [1,1,0,0,0,0|1,0,0]=3 1105 B7R0.2 CCC(=O)CC(F)F 1458a_100000210414_100011934356 [1,1,0,0,0,0|2,0,0]=4 1106 B7R0.2 CCC(=O)C[C@@H](C)O 1458a_100011933948_100000210202 [1,1,0,0,0,0|1,0,0]=3 1107 B7R0.2 CCC(=O)NC(C)C 11a_100138425928_100000210414 [1,1,0,0,0,0|2,0,0]=4 1108 B7R0.2 CCC(=O)NC(C)C 1626a_100138425928_100000210414 [1,1,0,0,0,0|2,0,0]=4 1109 B7R0.2 CCC(=O)NC(C)C 240690a_100138425928_100000210414 [1,1,0,0,0,0|2,0,0]=4 1110 B7R0.2 CCC(=O)NC(C)C 527a_100138425928_100000210414 [1,1,0,0,0,0|2,0,0]=4 1111 B7R0.2 CNC(=O)C[C@@H](C)O 240690a_100102657272_100011933948 [1,1,0,0,0,0|2,0,0]=4 1112 B7R0.2 C[C@@H](O)CC(=O)CF 1458a_100011933948_100015361967 [1,1,0,0,0,0|1,0,0]=3 1113 B7R0.2 O=C(CO)CC(F)F 1458a_100000210174_100011934356 [1,1,0,0,0,0|2,0,0]=4 1114 B7R0.5 C=C(C)C(=O)CCO 1458a_100000185857_100000211926 [1,1,0,0,0,0|1,0,1]=4 1115 B7R0.5 CC(C)C(=O)CCF 1458a_100000210198_100011217306 [1,1,0,0,0,0|2,0,0]=4 1116 B7R0.5 CC(C)C(=O)CCO 1458a_100000210198_100000211926 [1,1,0,0,0,0|1,0,0]=3 1117 B7R0.5 CC(C)C(=O)CCO 1458a_100011216618_100000210206 [1,1,0,0,0,0|1,0,0]=3 1118 B7R0.5 CC(F)C(=O)CCF 1458a_100000062450_100011217306 [1,1,0,0,0,0|2,0,0]=4 1119 B7R0.5 CC(F)C(=O)CCO 1458a_100000062450_100000211926 [1,1,0,0,0,0|1,0,0]=3 1120 B7R0.5 CCCC(=O)C(C)C 1458a_100000210198_100000210303 [1,1,0,0,0,0|2,0,0]=4 1121 B7R0.5 CCCC(=O)C(C)C 1458a_100000211992_100000210206 [1,1,0,0,0,0|2,0,0]=4 1122 B7R0.5 CCCC(=O)C(C)F 1458a_100000062450_100000210303 [1,1,0,0,0,0|2,0,0]=4 1123 B7R0.5 CCCC(=O)C(O)O 1458a_100000233687_100000210303 [1,1,0,0,0,0|2,0,0]=4 1124 B7R0.5 CCCC(=O)[C@@H](C)O 1458a_100000717761_100000210303 [1,1,0,0,0,0|2,0,0]=4 1125 B7R0.5 CCCC(=O)[C@H](C)O 1458a_217856618621_100000210303 [1,1,0,0,0,0|2,0,0]=4 1126 B7R0.5 CCNC(=O)C(=O)N 240690a_100015525214_100011215815 [1,1,0,0,0,0|1,0,1]=4 1127 B7R0.5 CCNC(=O)C(C)C 11a_100015525214_100000210198 [1,1,0,0,0,0|2,0,0]=4 1128 B7R0.5 CCNC(=O)C(C)C 240690a_100015525214_100000210198 [1,1,0,0,0,0|2,0,0]=4 1129 B7R0.5 CCNC(=O)C(C)C 527a_100015525214_100000210198 [1,1,0,0,0,0|2,0,0]=4 1130 B7R0.5 CCNC(=O)C(C)F 11a_100015525214_100000062450 [1,1,0,0,0,0|2,0,0]=4 1131 B7R0.5 CCNC(=O)C(C)F 240690a_100015525214_100000062450 [1,1,0,0,0,0|2,0,0]=4 1132 B7R0.5 CCNC(=O)C(C)F 527a_100015525214_100000062450 [1,1,0,0,0,0|2,0,0]=4 1133 B7R0.5 CCNC(=O)C(F)F 11a_100015525214_100000210393 [1,1,0,0,0,0|2,0,0]=4 1134 B7R0.5 CCNC(=O)C(F)F 240690a_100015525214_100000210393 [1,1,0,0,0,0|2,0,0]=4 1135 B7R0.5 CCNC(=O)C(F)F 527a_100015525214_100000210393 [1,1,0,0,0,0|2,0,0]=4 1136 B7R0.5 CCNC(=O)C(O)O 240690a_100015525214_100000233687 [1,1,0,0,0,0|2,0,0]=4 1137 B7R0.5 CCNC(=O)[C@@H](C)O 240690a_100015525214_100000717761 [1,1,0,0,0,0|2,0,0]=4 1138 B7R0.5 CCNC(=O)[C@H](C)O 240690a_100015525214_217856618621 [1,1,0,0,0,0|2,0,0]=4 1139 B7R0.5 CN(C)C(=O)CCO 240690a_100102631434_100011216618 [1,1,0,0,0,0|2,0,0]=4 1140 B7R0.5 C[C@@H](O)C(=O)CCF 1458a_100000717761_100011217306 [1,1,0,0,0,0|2,0,0]=4 1141 B7R0.5 C[C@@H](O)C(=O)CCO 1458a_100000717761_100000211926 [1,1,0,0,0,0|1,0,0]=3 1142 B7R0.5 C[C@H](O)C(=O)CCF 1458a_217856618621_100011217306 [1,1,0,0,0,0|2,0,0]=4 1143 B7R0.5 C[C@H](O)C(=O)CCO 1458a_217856618621_100000211926 [1,1,0,0,0,0|1,0,0]=3 1144 B7R0.5 O=C(CCF)C(O)O 1458a_100000233687_100011217306 [1,1,0,0,0,0|2,0,0]=4 1145 B7R0.5 O=C(CCO)C(O)O 1458a_100000233687_100000211926 [1,1,0,0,0,0|1,0,0]=3 1146 B7R0.7 C#CCC(=O)CCC 1458a_100000211992_100000184674 [1,1,0,0,0,0|2,0,0]=4 1147 B7R0.7 C#CCC(=O)CCC 1458a_100011220946_100000210303 [1,1,0,0,0,0|2,0,0]=4 1148 B7R0.7 C#CCC(=O)CCF 1458a_100011220946_100011217306 [1,1,0,0,0,0|2,0,0]=4 1149 B7R0.7 C#CCC(=O)CCO 1458a_100011216618_100000184674 [1,1,0,0,0,0|1,0,0]=3 1150 B7R0.7 C#CCC(=O)CCO 1458a_100011220946_100000211926 [1,1,0,0,0,0|1,0,0]=3 1151 B7R0.7 C#CCC(=O)NCC 527a_100015525214_100011220946 [1,1,0,0,0,0|2,0,0]=4 1152 B7R0.7 C=CCC(=O)CCC 1458a_100000210193_100000210303 [1,1,0,0,0,0|2,0,0]=4 1153 B7R0.7 C=CCC(=O)CCC 1458a_100000211992_100000210623 [1,1,0,0,0,0|2,0,0]=4 1154 B7R0.7 C=CCC(=O)CCF 1458a_100000210193_100011217306 [1,1,0,0,0,0|2,0,0]=4 1155 B7R0.7 C=CCC(=O)CCO 1458a_100000210193_100000211926 [1,1,0,0,0,0|1,0,0]=3 1156 B7R0.7 C=CCC(=O)CCO 1458a_100011216618_100000210623 [1,1,0,0,0,0|1,0,0]=3 1157 B7R0.7 C=CCC(=O)NCC 11a_100015525214_100000210193 [1,1,0,0,0,0|2,0,0]=4 1158 B7R0.7 C=CCC(=O)NCC 240690a_100015525214_100000210193 [1,1,0,0,0,0|2,0,0]=4 1159 B7R0.7 C=CCC(=O)NCC 527a_100015525214_100000210193 [1,1,0,0,0,0|2,0,0]=4 1160 B7R0.7 C=COC(=O)CNC 2230a_106832991635_100000036128 [1,1,0,0,0,0|0,0,2]=4 1161 B7R0.7 C=COC(=O)CNC 34a_100102657272_100000036128 [1,1,0,0,0,0|0,0,2]=4 1162 B7R0.7 CC#CC(=O)CCO 1458a_100000763181_100000211926 [1,1,0,0,0,0|1,0,1]=4 1163 B7R0.7 CC=CC(=O)CCO 1458a_100000210699_100000211926 [1,1,0,0,0,0|1,0,1]=4 1164 B7R0.7 CCCC(=O)CC#N 1458a_100000211992_100011214920 [1,1,0,0,0,0|1,0,1]=4 1165 B7R0.7 CCCC(=O)CC#N 1458a_100051588842_100000210303 [1,1,0,0,0,0|1,0,1]=4 1166 B7R0.7 CCCC(=O)CCC 1458a_100000211992_100000210303 [1,1,0,0,0,0|2,0,0]=4 1167 B7R0.7 CCCC(=O)CCF 1458a_100000211992_100011217306 [1,1,0,0,0,0|2,0,0]=4 1168 B7R0.7 CCCC(=O)CCO 1458a_100000211992_100000211926 [1,1,0,0,0,0|1,0,0]=3 1169 B7R0.7 CCCC(=O)CCO 1458a_100011216618_100000210303 [1,1,0,0,0,0|1,0,0]=3 1170 B7R0.7 CCCC(=O)CNC 2230a_106832991635_100000747444 [1,1,0,0,0,0|1,0,0]=3 1171 B7R0.7 CCCC(=O)CNC 7a_106832991635_100000747444 [1,1,0,0,0,0|1,0,0]=3 1172 B7R0.7 CCCC(=O)COC 1458a_100000210968_100000210303 [1,1,0,0,0,0|2,0,0]=4 1173 B7R0.7 CCCC(=O)CSC 1458a_100000184570_100000210303 [1,1,0,0,0,0|2,0,0]=4 1174 B7R0.7 CCCC(=O)CSC 62a_100000747444_200000210301 [1,1,0,0,0,0|2,0,0]=4 1175 B7R0.7 CCCC(=O)CSC 62a_200000210301_100000747444 [1,1,0,0,0,0|2,0,0]=4 1176 B7R0.7 CCCC(=O)CS[13CH3] 62a_100000747444_200025704644 [1,1,0,0,0,0|2,0,0]=4 1177 B7R0.7 CCCC(=O)CS[13CH3] 62a_200025704644_100000747444 [1,1,0,0,0,0|2,0,0]=4 1178 B7R0.7 CCCC(=O)NCC 11a_100015525214_100000211992 [1,1,0,0,0,0|2,0,0]=4 1179 B7R0.7 CCCC(=O)NCC 240690a_100015525214_100000211992 [1,1,0,0,0,0|2,0,0]=4 1180 B7R0.7 CCCC(=O)NCC 527a_100015525214_100000211992 [1,1,0,0,0,0|2,0,0]=4 1181 B7R0.7 CCCC(=O)NNC 22a_100016993582_100000211992 [1,1,0,0,0,0|2,0,0]=4 1182 B7R0.7 CCNC(=O)CC#N 240690a_100015525214_100051588842 [1,1,0,0,0,0|1,0,1]=4 1183 B7R0.7 CCNC(=O)CCO 240690a_100015525214_100011216618 [1,1,0,0,0,0|1,0,0]=3 1184 B7R0.7 CCNC(=O)CNC 2230a_100016988866_200000210301 [1,1,0,0,0,0|1,0,0]=3 1185 B7R0.7 CCNC(=O)CNC 2230a_106832991635_100000183381 [1,1,0,0,0,0|1,0,0]=3 1186 B7R0.7 CCNC(=O)CNC 34a_100102657272_100000183381 [1,1,0,0,0,0|1,0,0]=3 1187 B7R0.7 CCNC(=O)CNC 7a_106832991635_100000183381 [1,1,0,0,0,0|1,0,0]=3 1188 B7R0.7 CCNC(=O)CN[13CH3] 2230a_100016988866_200025704644 [1,1,0,0,0,0|1,0,0]=3 1189 B7R0.7 CCNC(=O)COC 11a_100015525214_100000210968 [1,1,0,0,0,0|2,0,0]=4 1190 B7R0.7 CCNC(=O)COC 240690a_100015525214_100000210968 [1,1,0,0,0,0|2,0,0]=4 1191 B7R0.7 CCNC(=O)COC 34a_100138415774_100000183381 [1,1,0,0,0,0|2,0,0]=4 1192 B7R0.7 CCNC(=O)COC 527a_100015525214_100000210968 [1,1,0,0,0,0|2,0,0]=4 1193 B7R0.7 CCNC(=O)CSC 11a_100015525214_100000184570 [1,1,0,0,0,0|2,0,0]=4 1194 B7R0.7 CCNC(=O)CSC 240690a_100015525214_100000184570 [1,1,0,0,0,0|2,0,0]=4 1195 B7R0.7 CCNC(=O)CSC 527a_100015525214_100000184570 [1,1,0,0,0,0|2,0,0]=4 1196 B7R0.7 CCNC(=O)CSC 62a_100000183381_200000210301 [1,1,0,0,0,0|2,0,0]=4 1197 B7R0.7 CCNC(=O)CSC 62a_200000210301_100000183381 [1,1,0,0,0,0|2,0,0]=4 1198 B7R0.7 CCNC(=O)CS[13CH3] 62a_100000183381_200025704644 [1,1,0,0,0,0|2,0,0]=4 1199 B7R0.7 CCNC(=O)CS[13CH3] 62a_200025704644_100000183381 [1,1,0,0,0,0|2,0,0]=4 1200 B7R0.7 CCNC(=O)NCC 2708a_100015525214_100015525214 [1,1,0,0,0,0|2,0,0]=4 1201 B7R0.7 CCNC(=O)NCC 273464a_100015525214_100015525214 [1,1,0,0,0,0|2,0,0]=4 1202 B7R0.7 CCNC(=O)NCC 512a_100015525214_100015525214 [1,1,0,0,0,0|2,0,0]=4 1203 B7R0.7 CCNC(=O)NNC 273464a_100015525214_100016993582 [1,1,0,0,0,0|2,0,0]=4 1204 B7R0.7 CCNC(=O)NNC 512a_100015525214_100016993582 [1,1,0,0,0,0|2,0,0]=4 1205 B7R0.7 CCNC(=O)NNC 512a_100016993582_100015525214 [1,1,0,0,0,0|2,0,0]=4 1206 B7R0.7 CCOC(=O)CNC 2230a_106832991635_100000188475 [1,1,0,0,0,0|0,0,0]=2 1207 B7R0.7 CCOC(=O)CNC 34a_100102657272_100000188475 [1,1,0,0,0,0|0,0,0]=2 1208 B7R0.7 CCOC(=O)CNC 7a_106832991635_100000188475 [1,1,0,0,0,0|0,0,0]=2 1209 B7R0.7 CCOC(=O)COC 34a_100138415774_100000188475 [1,1,0,0,0,0|1,0,0]=3 1210 B7R0.7 CCOC(=O)CSC 62a_100000188475_200000210301 [1,1,0,0,0,0|1,0,0]=3 1211 B7R0.7 CCOC(=O)CSC 62a_200000210301_100000188475 [1,1,0,0,0,0|1,0,0]=3 1212 B7R0.7 CCOC(=O)CS[13CH3] 62a_100000188475_200025704644 [1,1,0,0,0,0|1,0,0]=3 1213 B7R0.7 CCOC(=O)CS[13CH3] 62a_200025704644_100000188475 [1,1,0,0,0,0|1,0,0]=3 1214 B7R0.7 CNCC(=O)NCO 2230a_106832991635_100000185155 [1,1,0,0,0,0|1,0,0]=3 1215 B7R0.7 CNCC(=O)NCO 34a_100102657272_100000185155 [1,1,0,0,0,0|1,0,0]=3 1216 B7R0.7 CNCC(=O)NCO 7a_106832991635_100000185155 [1,1,0,0,0,0|1,0,0]=3 1217 B7R0.7 CNNC(=O)CCO 22a_100016993582_100011216618 [1,1,0,0,0,0|1,0,0]=3 1218 B7R0.7 COCC(=O)CCF 1458a_100000210968_100011217306 [1,1,0,0,0,0|2,0,0]=4 1219 B7R0.7 COCC(=O)CCO 1458a_100000210968_100000211926 [1,1,0,0,0,0|1,0,0]=3 1220 B7R0.7 COCC(=O)NCO 34a_100138415774_100000185155 [1,1,0,0,0,0|2,0,0]=4 1221 B7R0.7 CSCC(=O)CCF 1458a_100000184570_100011217306 [1,1,0,0,0,0|2,0,0]=4 1222 B7R0.7 CSCC(=O)CCO 1458a_100000184570_100000211926 [1,1,0,0,0,0|1,0,0]=3 1223 B7R0.7 CSCC(=O)NCO 62a_100000185155_200000210301 [1,1,0,0,0,0|2,0,0]=4 1224 B7R0.7 CSCC(=O)NCO 62a_200000210301_100000185155 [1,1,0,0,0,0|2,0,0]=4 1225 B7R0.7 N#CCC(=O)CCF 1458a_100051588842_100011217306 [1,1,0,0,0,0|1,0,1]=4 1226 B7R0.7 N#CCC(=O)CCO 1458a_100011216618_100011214920 [1,1,0,0,0,0|0,0,1]=3 1227 B7R0.7 N#CCC(=O)CCO 1458a_100051588842_100000211926 [1,1,0,0,0,0|0,0,1]=3 1228 B7R0.7 O=C(C=CBr)CCO 1458a_100016273825_100000211926 [1,1,0,0,0,0|1,0,1]=4 1229 B7R0.7 O=C(C=CCl)CCO 1458a_200016279998_100000211926 [1,1,0,0,0,0|1,0,1]=4 1230 B7R0.7 O=C(C=CI)CCO 1458a_100016256311_100000211926 [1,1,0,0,0,0|1,0,1]=4 1231 B7R0.7 O=C(CCO)CCF 1458a_100011216618_100011217306 [1,1,0,0,0,0|1,0,0]=3 1232 B7R0.7 O=C(CCO)CCO 1458a_100011216618_100000211926 [1,1,0,0,0,0|1,0,0]=3 1233 B7R0.7 [13CH3]SCC(=O)NCO 62a_100000185155_200025704644 [1,1,0,0,0,0|2,0,0]=4 1234 B7R0.7 [13CH3]SCC(=O)NCO 62a_200025704644_100000185155 [1,1,0,0,0,0|2,0,0]=4 1235 B7R0.10 CCC(=O)C(C)CC 1458a_100000210414_100000758301 [1,1,0,0,0,0|2,0,0]=4 1236 B7R0.10 CCC(=O)C(C)CC 1458a_100011192722_100000210202 [1,1,0,0,0,0|2,0,0]=4 1237 B7R0.10 CCC(=O)C(O)CC 1458a_100011196387_100000210202 [1,1,0,0,0,0|2,0,0]=4 1238 B7R0.10 CCC(=O)C(O)CO 1458a_100011215603_100000210202 [1,1,0,0,0,0|1,0,0]=3 1239 B7R0.10 CCC(=O)N(C)CC 11a_100000225621_100000210414 [1,1,0,0,0,0|2,0,0]=4 1240 B7R0.10 CCC(=O)N(C)CC 1626a_100000225621_100000210414 [1,1,0,0,0,0|2,0,0]=4 1241 B7R0.10 CCC(=O)N(C)CC 240690a_100000225621_100000210414 [1,1,0,0,0,0|2,0,0]=4 1242 B7R0.10 CCC(=O)N(C)CC 527a_100000225621_100000210414 [1,1,0,0,0,0|2,0,0]=4 1243 B7R0.10 CCC(C)C(=O)CF 1458a_100011192722_100015361967 [1,1,0,0,0,0|2,0,0]=4 1244 B7R0.10 CCC(C)C(=O)CO 1458a_100000210174_100000758301 [1,1,0,0,0,0|2,0,0]=4 1245 B7R0.10 CCC(O)C(=O)CF 1458a_100011196387_100015361967 [1,1,0,0,0,0|2,0,0]=4 1246 B7R0.10 CCN(C)C(=O)CO 240690a_100000225621_100000210174 [1,1,0,0,0,0|2,0,0]=4 1247 B7R0.10 CCN(C)C(=O)CO 527a_100000225621_100000210174 [1,1,0,0,0,0|2,0,0]=4 1248 B7R0.10 CNC(=O)C(O)CO 240690a_100102657272_100011215603 [1,1,0,0,0,0|2,0,0]=4 1249 B7R0.10 O=C(CF)C(O)CO 1458a_100011215603_100015361967 [1,1,0,0,0,0|1,0,0]=3 1250 B7R0.12 CCOC(CN)CN 34a_100000031598_100000210202 [1,1,0,0,0,0|1,0,1]=4 1251 B7R0.4 C#CCCCC(=O)C 1458a_100000070787_100000731252 [1,1,0,0,0,0|2,0,0]=4 1252 B7R0.4 C#CCCCC(=O)C 1458a_100000690238_200000210301 [1,1,0,0,0,0|2,0,0]=4 1253 B7R0.4 C#CCCCC(=O)[13CH3] 1458a_100000690238_200025704644 [1,1,0,0,0,0|2,0,0]=4 1254 B7R0.4 C#CCCNC(=O)C 11a_100000755551_100015343762 [1,1,0,0,0,0|2,0,0]=4 1255 B7R0.4 C#CCCNC(=O)C 1626a_100000755551_100015343762 [1,1,0,0,0,0|2,0,0]=4 1256 B7R0.4 C#CCCNC(=O)C 240690a_100000755551_100015343762 [1,1,0,0,0,0|2,0,0]=4 1257 B7R0.4 C#CCCNC(=O)C 527a_100000755551_100103153847 [1,1,0,0,0,0|2,0,0]=4 1258 B7R0.4 C#CCOCC(=O)C 1458a_100011251226_200000210301 [1,1,0,0,0,0|1,0,1]=4 1259 B7R0.4 C#CCOCC(=O)C 34a_100000211253_100000184674 [1,1,0,0,0,0|1,0,1]=4 1260 B7R0.4 C#CCOCC(=O)N 34a_100000210247_100000187820 [1,1,0,0,0,0|1,0,1]=4 1261 B7R0.4 C#CCOCC(=O)[13CH3] 1458a_100011251226_200025704644 [1,1,0,0,0,0|1,0,1]=4 1262 B7R0.4 C=C(C)CNCCO 2230a_100016997473_100000748629 [1,1,0,0,0,0|2,0,0]=4 1263 B7R0.4 C=C(C)CNCCO 34a_100016990907_100000748629 [1,1,0,0,0,0|2,0,0]=4 1264 B7R0.4 C=C(C)COCCBr 34a_100000211926_100000748629 [1,1,0,0,0,0|2,0,0]=4 1265 B7R0.4 C=C(C)COCCC 34a_100000210245_100000210303 [1,1,0,0,0,0|2,0,0]=4 1266 B7R0.4 C=C(C)COCCC 34a_100000210258_100000748629 [1,1,0,0,0,0|2,0,0]=4 1267 B7R0.4 C=C(C)COCCF 34a_100000210245_100011217306 [1,1,0,0,0,0|2,0,0]=4 1268 B7R0.4 C=C(C)COCCN 34a_100000210304_100000748629 [1,1,0,0,0,0|2,0,0]=4 1269 B7R0.4 C=C(C)COCCO 34a_100000210245_100000211926 [1,1,0,0,0,0|1,0,0]=3 1270 B7R0.4 C=C(C)CSCCO 62a_100000211926_100000211660 [1,1,0,0,0,0|1,1,0]=4 1271 B7R0.4 C=C(C)CSCCO 62a_100000748629_100000211926 [1,1,0,0,0,0|1,1,0]=4 1272 B7R0.4 C=C(F)COCCO 34a_200010262243_100000211926 [1,1,0,0,0,0|1,0,1]=4 1273 B7R0.4 C=CCCCC(=O)C 1458a_100000070787_100000757094 [1,1,0,0,0,0|2,0,0]=4 1274 B7R0.4 C=CCCCC(=O)C 1458a_100000766728_200000210301 [1,1,0,0,0,0|2,0,0]=4 1275 B7R0.4 C=CCCCC(=O)[13CH3] 1458a_100000766728_200025704644 [1,1,0,0,0,0|2,0,0]=4 1276 B7R0.4 C=CCCNC(=O)C 11a_100015191253_100015343762 [1,1,0,0,0,0|2,0,0]=4 1277 B7R0.4 C=CCCNC(=O)C 1626a_100015191253_100015343762 [1,1,0,0,0,0|2,0,0]=4 1278 B7R0.4 C=CCCNC(=O)C 240690a_100015191253_100015343762 [1,1,0,0,0,0|2,0,0]=4 1279 B7R0.4 C=CCCNC(=O)C 527a_100015191253_100103153847 [1,1,0,0,0,0|2,0,0]=4 1280 B7R0.4 C=CCOCC(=O)C 34a_100000211253_100015514636 [1,1,0,0,0,0|1,0,1]=4 1281 B7R0.4 C=CCOCC(=O)N 34a_200000210373_100000187820 [1,1,0,0,0,0|1,0,1]=4 1282 B7R0.4 CC(=O)CC#CCO 1458a_100000070787_200000047223 [1,1,0,0,0,0|1,0,1]=4 1283 B7R0.4 CC(=O)CCCC#N 1458a_100000070787_100000211468 [1,1,0,0,0,0|2,0,0]=4 1284 B7R0.4 CC(=O)CCCC#N 1458a_100000075515_200000210301 [1,1,0,0,0,0|2,0,0]=4 1285 B7R0.4 CC(=O)CCCCF 1458a_100000070787_100000729493 [1,1,0,0,0,0|2,0,0]=4 1286 B7R0.4 CC(=O)CCCCO 1458a_100000070787_100000210776 [1,1,0,0,0,0|1,0,0]=3 1287 B7R0.4 CC(=O)CCCCO 1458a_100000695505_200000210301 [1,1,0,0,0,0|1,0,0]=3 1288 B7R0.4 CC(=O)CCCO[13CH3] 34a_100000759063_200025704644 [1,1,0,0,0,0|1,0,0]=3 1289 B7R0.4 CC(=O)CCCO[13CH3] 7a_100000759063_200025704644 [1,1,0,0,0,0|1,0,0]=3 1290 B7R0.4 CC(=O)CCCS[13CH3] 62a_100011215641_200025704644 [1,1,0,0,0,0|1,1,0]=4 1291 B7R0.4 CC(=O)CCCS[13CH3] 62a_200025704644_100011215641 [1,1,0,0,0,0|1,1,0]=4 1292 B7R0.4 CC(=O)CCOCF 34a_100000759926_100015361967 [1,1,0,0,0,0|2,0,0]=4 1293 B7R0.4 CC(=O)CCOCF 7a_100000759926_100015361967 [1,1,0,0,0,0|2,0,0]=4 1294 B7R0.4 CC(=O)CCSCF 62a_100000053229_100015361967 [1,1,0,0,0,0|2,0,0]=4 1295 B7R0.4 CC(=O)CCSCF 62a_100015361967_100000053229 [1,1,0,0,0,0|2,0,0]=4 1296 B7R0.4 CC(=O)COCC=O 34a_100000211253_200009817547 [1,1,0,0,0,0|0,0,2]=4 1297 B7R0.4 CC(=O)COCCF 34a_100000211253_100011217306 [1,1,0,0,0,0|1,0,0]=3 1298 B7R0.4 CC(=O)COCCO 1458a_100000708028_200000210301 [1,1,0,0,0,0|0,0,0]=2 1299 B7R0.4 CC(=O)COCCO 34a_100000211253_100000211926 [1,1,0,0,0,0|0,0,0]=2 1300 B7R0.4 CC(=O)NCCC#N 11a_100000720768_100015343762 [1,1,0,0,0,0|2,0,0]=4 1301 B7R0.4 CC(=O)NCCC#N 1626a_100000720768_100015343762 [1,1,0,0,0,0|2,0,0]=4 1302 B7R0.4 CC(=O)NCCC#N 240690a_100000720768_100015343762 [1,1,0,0,0,0|2,0,0]=4 1303 B7R0.4 CC(=O)NCCC#N 527a_100000720768_100103153847 [1,1,0,0,0,0|2,0,0]=4 1304 B7R0.4 CC(=O)NCCCF 11a_100015189416_100015343762 [1,1,0,0,0,0|2,0,0]=4 1305 B7R0.4 CC(=O)NCCCF 1626a_100015189416_100015343762 [1,1,0,0,0,0|2,0,0]=4 1306 B7R0.4 CC(=O)NCCCF 240690a_100015189416_100015343762 [1,1,0,0,0,0|2,0,0]=4 1307 B7R0.4 CC(=O)NCCCF 527a_100015189416_100103153847 [1,1,0,0,0,0|2,0,0]=4 1308 B7R0.4 CC(=O)NCCCO 240690a_100000182051_100015343762 [1,1,0,0,0,0|1,0,0]=3 1309 B7R0.4 CC(=O)NCCCO 527a_100000182051_100103153847 [1,1,0,0,0,0|1,0,0]=3 1310 B7R0.4 CC(=O)NCCN[13CH3] 2230a_100000209853_200025704644 [1,1,0,0,0,0|2,0,0]=4 1311 B7R0.4 CC(=O)NCCO[13CH3] 34a_100000158858_200025704644 [1,1,0,0,0,0|1,0,0]=3 1312 B7R0.4 CC(=O)NCCS[13CH3] 62a_100000189650_200025704644 [1,1,0,0,0,0|1,1,0]=4 1313 B7R0.4 CC(=O)NCCS[13CH3] 62a_200025704644_100000189650 [1,1,0,0,0,0|1,1,0]=4 1314 B7R0.4 CC(=O)NNCCO 22a_100000210001_100000070787 [1,1,0,0,0,0|1,0,0]=3 1315 B7R0.4 CC(=O)OCCS[13CH3] 62a_100009814007_200025704644 [1,1,0,0,0,0|0,1,0]=3 1316 B7R0.4 CC(=O)OCCS[13CH3] 62a_200025704644_100009814007 [1,1,0,0,0,0|0,1,0]=3 1317 B7R0.4 CC(=O)OCSCF 62a_100000076356_100015361967 [1,1,0,0,0,0|1,0,0]=3 1318 B7R0.4 CC(=O)OCSCF 62a_100015361967_100000076356 [1,1,0,0,0,0|1,0,0]=3 1319 B7R0.4 CC(Br)COCCO 34a_100012180447_100000211926 [1,1,0,0,0,0|1,0,1]=4 1320 B7R0.4 CC(C)COCCO 34a_100000210257_100000211926 [1,1,0,0,0,0|1,0,1]=4 1321 B7R0.4 CC(C)OCCCO 34a_100000212225_100000230001 [1,1,0,0,0,0|1,0,1]=4 1322 B7R0.4 CC(C)OCCON 34a_100000700252_100000210206 [1,1,0,0,0,0|1,0,1]=4 1323 B7R0.4 CC(C)OCCO[13CH3] 34a_100000211219_200025704644 [1,1,0,0,0,0|1,0,1]=4 1324 B7R0.4 CC(C)OCCO[13CH3] 7a_100000211219_200025704644 [1,1,0,0,0,0|1,0,1]=4 1325 B7R0.4 CC(F)COCCO 34a_100015925927_100000211926 [1,1,0,0,0,0|1,0,1]=4 1326 B7R0.4 CCCC#CC(=O)C 1458a_200011218047_200000210301 [1,1,0,0,0,0|2,0,0]=4 1327 B7R0.4 CCCC#CC(=O)[13CH3] 1458a_200011218047_200025704644 [1,1,0,0,0,0|2,0,0]=4 1328 B7R0.4 CCCC=CC(=O)C 1458a_100000212230_200000210301 [1,1,0,0,0,0|2,0,0]=4 1329 B7R0.4 CCCC=CC(=O)[13CH3] 1458a_100000212230_200025704644 [1,1,0,0,0,0|2,0,0]=4 1330 B7R0.4 CCCCCC(=O)C 1458a_100000070787_100000210326 [1,1,0,0,0,0|2,0,0]=4 1331 B7R0.4 CCCCCC(=O)C 1458a_100000212188_200000210301 [1,1,0,0,0,0|2,0,0]=4 1332 B7R0.4 CCCCCC(=O)[13CH3] 1458a_100000212188_200025704644 [1,1,0,0,0,0|2,0,0]=4 1333 B7R0.4 CCCCNC(=O)C 11a_100000102301_100015343762 [1,1,0,0,0,0|2,0,0]=4 1334 B7R0.4 CCCCNC(=O)C 1626a_100000102301_100015343762 [1,1,0,0,0,0|2,0,0]=4 1335 B7R0.4 CCCCNC(=O)C 240690a_100000102301_100015343762 [1,1,0,0,0,0|2,0,0]=4 1336 B7R0.4 CCCCNC(=O)C 527a_100000102301_100103153847 [1,1,0,0,0,0|2,0,0]=4 1337 B7R0.4 CCCNCC(=O)N 2230a_100000711301_100000210303 [1,1,0,0,0,0|2,0,0]=4 1338 B7R0.4 CCCNNC(=O)C 22a_100000740057_100000070787 [1,1,0,0,0,0|2,0,0]=4 1339 B7R0.4 CCCOCC(=O)C 1458a_100000745993_200000210301 [1,1,0,0,0,0|1,0,0]=3 1340 B7R0.4 CCCOCC(=O)C 34a_100000211253_100000210303 [1,1,0,0,0,0|1,0,0]=3 1341 B7R0.4 CCCOCC(=O)N 34a_100000210258_100000187820 [1,1,0,0,0,0|1,0,0]=3 1342 B7R0.4 CCCOCC(=O)[13CH3] 1458a_100000745993_200025704644 [1,1,0,0,0,0|1,0,0]=3 1343 B7R0.4 CCCOCC(=O)[O-] 34a_100000210258_100020667443 [1,1,0,0,0,0|2,0,0]=4 1344 B7R0.4 CCCSCC(=O)C 1458a_100000217233_200000210301 [1,1,0,0,0,0|1,1,0]=4 1345 B7R0.4 CCCSCC(=O)N 62a_100000210303_100000747473 [1,1,0,0,0,0|1,1,0]=4 1346 B7R0.4 CCCSCC(=O)N 62a_100000747473_100000210303 [1,1,0,0,0,0|1,1,0]=4 1347 B7R0.4 CCCSCC(=O)[13CH3] 1458a_100000217233_200025704644 [1,1,0,0,0,0|1,1,0]=4 1348 B7R0.4 CCNCCC(=O)N 2230a_100015525214_100000744528 [1,1,0,0,0,0|2,0,0]=4 1349 B7R0.4 CCOCCC(=O)C 1458a_100000070787_100011215890 [1,1,0,0,0,0|2,0,0]=4 1350 B7R0.4 CCOCCC(=O)C 1458a_100000749530_200000210301 [1,1,0,0,0,0|2,0,0]=4 1351 B7R0.4 CCOCCC(=O)C 34a_100000759926_100000210202 [1,1,0,0,0,0|2,0,0]=4 1352 B7R0.4 CCOCCC(=O)C 7a_100000759926_100000210202 [1,1,0,0,0,0|2,0,0]=4 1353 B7R0.4 CCOCCC(=O)N 34a_100000757172_100000210202 [1,1,0,0,0,0|2,0,0]=4 1354 B7R0.4 CCOCCC(=O)N 34a_100121572206_100000731001 [1,1,0,0,0,0|2,0,0]=4 1355 B7R0.4 CCOCCC(=O)N 7a_100000757172_100000210202 [1,1,0,0,0,0|2,0,0]=4 1356 B7R0.4 CCOCCC(=O)[13CH3] 1458a_100000749530_200025704644 [1,1,0,0,0,0|2,0,0]=4 1357 B7R0.4 CCOCOC(=O)C 34a_100121572206_100009813279 [1,1,0,0,0,0|1,0,0]=3 1358 B7R0.4 CCSCCC(=O)C 1458a_100000070787_100000757381 [1,1,0,0,0,0|2,0,0]=4 1359 B7R0.4 CCSCCC(=O)C 1458a_100000230768_200000210301 [1,1,0,0,0,0|2,0,0]=4 1360 B7R0.4 CCSCCC(=O)C 62a_100000053229_100000210202 [1,1,0,0,0,0|2,0,0]=4 1361 B7R0.4 CCSCCC(=O)C 62a_100000210202_100000053229 [1,1,0,0,0,0|2,0,0]=4 1362 B7R0.4 CCSCCC(=O)N 62a_100000210202_100000744528 [1,1,0,0,0,0|2,0,0]=4 1363 B7R0.4 CCSCCC(=O)N 62a_100000744528_100000210202 [1,1,0,0,0,0|2,0,0]=4 1364 B7R0.4 CCSCCC(=O)[13CH3] 1458a_100000230768_200025704644 [1,1,0,0,0,0|2,0,0]=4 1365 B7R0.4 CCSCOC(=O)C 62a_100000076356_100000210202 [1,1,0,0,0,0|1,0,0]=3 1366 B7R0.4 CCSCOC(=O)C 62a_100000210202_100000076356 [1,1,0,0,0,0|1,0,0]=3 1367 B7R0.4 CNCCCC(=O)C 34a_100102657272_100000685027 [1,1,0,0,0,0|2,0,0]=4 1368 B7R0.4 CNCCCC(=O)C 7a_106832991635_100011215641 [1,1,0,0,0,0|2,0,0]=4 1369 B7R0.4 CNCCCC(=O)N 34a_100000739312_200000210301 [1,1,0,0,0,0|2,0,0]=4 1370 B7R0.4 CNCCCC(=O)N 34a_100102657272_100102525003 [1,1,0,0,0,0|2,0,0]=4 1371 B7R0.4 CNCCCC(=O)N 7a_106832991635_100102525003 [1,1,0,0,0,0|2,0,0]=4 1372 B7R0.4 CNCCNC(=O)C 2230a_100000209853_200000210301 [1,1,0,0,0,0|2,0,0]=4 1373 B7R0.4 CNCCNC(=O)C 2230a_106832991635_100000189650 [1,1,0,0,0,0|2,0,0]=4 1374 B7R0.4 CNCCNC(=O)C 7a_106832991635_100000189650 [1,1,0,0,0,0|2,0,0]=4 1375 B7R0.4 CNCCNC(=O)N 2230a_106832991635_200000034859 [1,1,0,0,0,0|2,0,0]=4 1376 B7R0.4 CNCCNC(=O)N 34a_100020590234_200000210301 [1,1,0,0,0,0|2,0,0]=4 1377 B7R0.4 CNCCNC(=O)N 7a_106832991635_200000034859 [1,1,0,0,0,0|2,0,0]=4 1378 B7R0.4 CNCCOC(=O)C 34a_100102657272_100009814007 [1,1,0,0,0,0|1,0,0]=3 1379 B7R0.4 CNCCOC(=O)C 7a_106832991635_100009814007 [1,1,0,0,0,0|1,0,0]=3 1380 B7R0.4 CNCCOC(=O)N 34a_100102657272_200011214921 [1,1,0,0,0,0|1,0,0]=3 1381 B7R0.4 CNCCOC(=O)N 7a_106832991635_200011214921 [1,1,0,0,0,0|1,0,0]=3 1382 B7R0.4 COCC=CC(=O)C 1458a_100016285016_200000210301 [1,1,0,0,0,0|1,0,1]=4 1383 B7R0.4 COCC=CC(=O)[13CH3] 1458a_100016285016_200025704644 [1,1,0,0,0,0|1,0,1]=4 1384 B7R0.4 COCCC=C(C)C 34a_100138415774_100011217483 [1,1,0,0,0,0|2,0,0]=4 1385 B7R0.4 COCCCC(=O)C 1458a_100000070787_100000740836 [1,1,0,0,0,0|1,0,0]=3 1386 B7R0.4 COCCCC(=O)C 1458a_100000741012_200000210301 [1,1,0,0,0,0|1,0,0]=3 1387 B7R0.4 COCCCC(=O)C 34a_100000759063_200000210301 [1,1,0,0,0,0|1,0,0]=3 1388 B7R0.4 COCCCC(=O)C 34a_100138415774_100000685027 [1,1,0,0,0,0|1,0,0]=3 1389 B7R0.4 COCCCC(=O)C 7a_100000759063_200000210301 [1,1,0,0,0,0|1,0,0]=3 1390 B7R0.4 COCCCC(=O)N 34a_100138415774_100102525003 [1,1,0,0,0,0|1,0,0]=3 1391 B7R0.4 COCCCC(=O)[13CH3] 1458a_100000741012_200025704644 [1,1,0,0,0,0|1,0,0]=3 1392 B7R0.4 COCCNC(=O)C 1626a_100000209980_100015343762 [1,1,0,0,0,0|1,0,0]=3 1393 B7R0.4 COCCNC(=O)C 240690a_100000209980_100015343762 [1,1,0,0,0,0|1,0,0]=3 1394 B7R0.4 COCCNC(=O)C 34a_100000158858_200000210301 [1,1,0,0,0,0|1,0,0]=3 1395 B7R0.4 COCCNC(=O)C 527a_100000209980_100103153847 [1,1,0,0,0,0|1,0,0]=3 1396 B7R0.4 COCCNC(=O)N 34a_100000181757_200000210301 [1,1,0,0,0,0|1,0,0]=3 1397 B7R0.4 COCCOC(=O)C 34a_100138415774_100009814007 [1,1,0,0,0,0|0,0,0]=2 1398 B7R0.4 COCCOC(=O)N 34a_100138415774_200011214921 [1,1,0,0,0,0|0,0,0]=2 1399 B7R0.4 COCCOC(=O)N 7a_100000766696_200000210301 [1,1,0,0,0,0|0,0,0]=2 1400 B7R0.4 COCCOC(C)C 34a_100000210237_100000210206 [1,1,0,0,0,0|1,0,1]=4 1401 B7R0.4 COCCOC(C)C 34a_100000211219_200000210301 [1,1,0,0,0,0|1,0,1]=4 1402 B7R0.4 COCCOC(C)C 34a_100000212225_100011201679 [1,1,0,0,0,0|1,0,1]=4 1403 B7R0.4 COCCOC(C)C 34a_100138415774_100000211751 [1,1,0,0,0,0|1,0,1]=4 1404 B7R0.4 COCCOC(C)C 7a_100000211219_200000210301 [1,1,0,0,0,0|1,0,1]=4 1405 B7R0.4 COCNCC(=O)N 2230a_100000711301_100000766300 [1,1,0,0,0,0|2,0,0]=4 1406 B7R0.4 COCSCC(=O)N 62a_100000747473_100000766300 [1,1,0,0,0,0|2,0,0]=4 1407 B7R0.4 COCSCC(=O)N 62a_100000766300_100000747473 [1,1,0,0,0,0|2,0,0]=4 1408 B7R0.4 CSCCCC(=O)C 1458a_100000173376_200000210301 [1,1,0,0,0,0|1,1,0]=4 1409 B7R0.4 CSCCCC(=O)C 62a_100011215641_200000210301 [1,1,0,0,0,0|1,1,0]=4 1410 B7R0.4 CSCCCC(=O)C 62a_200000210301_100011215641 [1,1,0,0,0,0|1,1,0]=4 1411 B7R0.4 CSCCCC(=O)N 62a_100102525003_200000210301 [1,1,0,0,0,0|1,1,0]=4 1412 B7R0.4 CSCCCC(=O)N 62a_200000210301_100102525003 [1,1,0,0,0,0|1,1,0]=4 1413 B7R0.4 CSCCCC(=O)[13CH3] 1458a_100000173376_200025704644 [1,1,0,0,0,0|1,1,0]=4 1414 B7R0.4 CSCCNC(=O)C 11a_100020590264_100015343762 [1,1,0,0,0,0|1,1,0]=4 1415 B7R0.4 CSCCNC(=O)C 1626a_100020590264_100015343762 [1,1,0,0,0,0|1,1,0]=4 1416 B7R0.4 CSCCNC(=O)C 240690a_100020590264_100015343762 [1,1,0,0,0,0|1,1,0]=4 1417 B7R0.4 CSCCNC(=O)C 527a_100020590264_100103153847 [1,1,0,0,0,0|1,1,0]=4 1418 B7R0.4 CSCCNC(=O)C 62a_100000189650_200000210301 [1,1,0,0,0,0|1,1,0]=4 1419 B7R0.4 CSCCNC(=O)C 62a_200000210301_100000189650 [1,1,0,0,0,0|1,1,0]=4 1420 B7R0.4 CSCCNC(=O)N 62a_200000034859_200000210301 [1,1,0,0,0,0|1,1,0]=4 1421 B7R0.4 CSCCNC(=O)N 62a_200000210301_200000034859 [1,1,0,0,0,0|1,1,0]=4 1422 B7R0.4 CSCCOC(=O)C 62a_100009814007_200000210301 [1,1,0,0,0,0|0,1,0]=3 1423 B7R0.4 CSCCOC(=O)C 62a_200000210301_100009814007 [1,1,0,0,0,0|0,1,0]=3 1424 B7R0.4 CSCCOC(=O)N 62a_200000210301_200011214921 [1,1,0,0,0,0|0,1,0]=3 1425 B7R0.4 CSCCOC(=O)N 62a_200011214921_200000210301 [1,1,0,0,0,0|0,1,0]=3 1426 B7R0.4 CSCOCC(=O)C 34a_100000211253_100011218213 [1,1,0,0,0,0|2,0,0]=4 1427 B7R0.4 C[C@@H](Cl)COCCO 34a_100016084084_100000211926 [1,1,0,0,0,0|1,0,1]=4 1428 B7R0.4 C[C@@H](N)COCCO 34a_100000737577_100000211926 [1,1,0,0,0,0|1,0,1]=4 1429 B7R0.4 NC(=O)CCOCF 34a_100000757172_100015361967 [1,1,0,0,0,0|2,0,0]=4 1430 B7R0.4 NC(=O)CCOCF 7a_100000757172_100015361967 [1,1,0,0,0,0|2,0,0]=4 1431 B7R0.4 NC(=O)CCSCF 62a_100000744528_100015361967 [1,1,0,0,0,0|2,0,0]=4 1432 B7R0.4 NC(=O)CCSCF 62a_100015361967_100000744528 [1,1,0,0,0,0|2,0,0]=4 1433 B7R0.4 NC(=O)CNCCF 2230a_100000711301_100011217306 [1,1,0,0,0,0|2,0,0]=4 1434 B7R0.4 NC(=O)CNCCF 34a_100000724931_100000187820 [1,1,0,0,0,0|2,0,0]=4 1435 B7R0.4 NC(=O)CNCCO 2230a_100000711301_100000211926 [1,1,0,0,0,0|1,0,0]=3 1436 B7R0.4 NC(=O)CNCCO 2230a_100016997473_100000747473 [1,1,0,0,0,0|1,0,0]=3 1437 B7R0.4 NC(=O)CNCCO 34a_100016990907_100000187820 [1,1,0,0,0,0|1,0,0]=3 1438 B7R0.4 NC(=O)COCCBr 34a_100000211926_100000187820 [1,1,0,0,0,0|1,0,0]=3 1439 B7R0.4 NC(=O)CSCCF 62a_100000747473_100011217306 [1,1,0,0,0,0|1,1,0]=4 1440 B7R0.4 NC(=O)CSCCF 62a_100011217306_100000747473 [1,1,0,0,0,0|1,1,0]=4 1441 B7R0.4 NC(=O)CSCCO 62a_100000211926_100000747473 [1,1,0,0,0,0|0,1,0]=3 1442 B7R0.4 NC(=O)CSCCO 62a_100000747473_100000211926 [1,1,0,0,0,0|0,1,0]=3 1443 B7R0.4 NCCOCC(=O)N 34a_100000210304_100000187820 [1,1,0,0,0,0|1,0,0]=3 1444 B7R0.4 NCCOCC(=O)[O-] 34a_100000210304_100020667443 [1,1,0,0,0,0|2,0,0]=4 1445 B7R0.4 O=C(O)CNCCO 269956a_100016091260_100000211926 [1,1,0,0,0,0|2,0,0]=4 1446 B7R0.4 O=C([O-])CNCCO 34a_100016990907_100020667443 [1,1,0,0,0,0|2,0,0]=4 1447 B7R0.4 O=C([O-])COCCBr 34a_100000211926_100020667443 [1,1,0,0,0,0|2,0,0]=4 1448 B7R0.4 O=C([O-])CSCCO 62a_100000211926_100020667443 [1,1,0,0,0,0|1,1,0]=4 1449 B7R0.4 O=C([O-])CSCCO 62a_100020667443_100000211926 [1,1,0,0,0,0|1,1,0]=4 1450 B7R0.4 [13CH3]C(=O)CCCC#N 1458a_100000075515_200025704644 [1,1,0,0,0,0|2,0,0]=4 1451 B7R0.4 [13CH3]C(=O)CCCCO 1458a_100000695505_200025704644 [1,1,0,0,0,0|1,0,0]=3 1452 B7R0.4 [13CH3]C(=O)COCCO 1458a_100000708028_200025704644 [1,1,0,0,0,0|0,0,0]=2 1453 B7R0.4 [13CH3]NCCCC(=O)N 34a_100000739312_200025704644 [1,1,0,0,0,0|2,0,0]=4 1454 B7R0.4 [13CH3]NCCNC(=O)N 34a_100020590234_200025704644 [1,1,0,0,0,0|2,0,0]=4 1455 B7R0.4 [13CH3]OCCNC(=O)N 34a_100000181757_200025704644 [1,1,0,0,0,0|1,0,0]=3 1456 B7R0.4 [13CH3]OCCOC(=O)N 7a_100000766696_200025704644 [1,1,0,0,0,0|0,0,0]=2 1457 B7R0.4 [13CH3]SCCCC(=O)N 62a_100102525003_200025704644 [1,1,0,0,0,0|1,1,0]=4 1458 B7R0.4 [13CH3]SCCCC(=O)N 62a_200025704644_100102525003 [1,1,0,0,0,0|1,1,0]=4 1459 B7R0.4 [13CH3]SCCNC(=O)N 62a_200000034859_200025704644 [1,1,0,0,0,0|1,1,0]=4 1460 B7R0.4 [13CH3]SCCNC(=O)N 62a_200025704644_200000034859 [1,1,0,0,0,0|1,1,0]=4 1461 B7R0.4 [13CH3]SCCOC(=O)N 62a_200011214921_200025704644 [1,1,0,0,0,0|0,1,0]=3 1462 B7R0.4 [13CH3]SCCOC(=O)N 62a_200025704644_200011214921 [1,1,0,0,0,0|0,1,0]=3 1463 B7R0.6 CC(=O)CCC(C)C 1458a_100000070787_100000210312 [1,1,0,0,0,0|2,0,0]=4 1464 B7R0.6 CC(=O)CCC(C)C 1458a_100000181311_200000210301 [1,1,0,0,0,0|2,0,0]=4 1465 B7R0.6 CC(=O)CCC(C)O 1458a_100000070787_100012276601 [1,1,0,0,0,0|1,0,0]=3 1466 B7R0.6 CC(=O)COC(=O)C 1458a_100000183556_200000210301 [1,1,0,0,0,0|0,0,2]=4 1467 B7R0.6 CC(=O)NCC(C)C 11a_100000210953_100015343762 [1,1,0,0,0,0|2,0,0]=4 1468 B7R0.6 CC(=O)NCC(C)C 1626a_100000210953_100015343762 [1,1,0,0,0,0|2,0,0]=4 1469 B7R0.6 CC(=O)NCC(C)C 240690a_100000210953_100015343762 [1,1,0,0,0,0|2,0,0]=4 1470 B7R0.6 CC(=O)NCC(C)C 527a_100000210953_100103153847 [1,1,0,0,0,0|2,0,0]=4 1471 B7R0.6 CC(=O)NCC(C)O 11a_100000210904_100015343762 [1,1,0,0,0,0|1,0,0]=3 1472 B7R0.6 CC(=O)NCC(C)O 240690a_100000210904_100015343762 [1,1,0,0,0,0|1,0,0]=3 1473 B7R0.6 CC(=O)NCC(C)O 527a_100000210904_100103153847 [1,1,0,0,0,0|1,0,0]=3 1474 B7R0.6 CC(=O)NCC(F)F 11a_100000765723_100015343762 [1,1,0,0,0,0|2,0,0]=4 1475 B7R0.6 CC(=O)NCC(F)F 1626a_100000765723_100015343762 [1,1,0,0,0,0|2,0,0]=4 1476 B7R0.6 CC(=O)NCC(F)F 240690a_100000765723_100015343762 [1,1,0,0,0,0|2,0,0]=4 1477 B7R0.6 CC(=O)NCC(F)F 527a_100000765723_100103153847 [1,1,0,0,0,0|2,0,0]=4 1478 B7R0.6 CC(=O)OCC(=O)[13CH3] 1458a_100000183556_200025704644 [1,1,0,0,0,0|0,0,2]=4 1479 B7R0.6 CC(=O)OCN(C)C 269982a_100102631434_100000076356 [1,1,0,0,0,0|2,0,0]=4 1480 B7R0.6 CC(C)CCC(=O)[13CH3] 1458a_100000181311_200025704644 [1,1,0,0,0,0|2,0,0]=4 1481 B7R0.6 CC(C)OC[C@@H](C)O 34a_100000212225_100009817552 [1,1,0,0,0,0|1,0,1]=4 1482 B7R0.6 CC(O)COC(C)C 34a_100000212225_100011218427 [1,1,0,0,0,0|1,0,1]=4 1483 B7R0.8 CC(C)(C)OCCO 34a_100015890283_100000211926 [1,1,0,0,0,0|1,0,1]=4 1484 B7R0.8 CC(C)(C)OCCO 7a_100015890283_100000211926 [1,1,0,0,0,0|1,0,1]=4 1485 B7R0.8 CS(=O)(=O)NCCO 40a_100000210304_100000738038 [1,1,0,0,0,0|2,0,0]=4 1486 B7R0.1 C#CCCOCCN 34a_100000210304_100000688953 [1,1,0,0,0,0|1,0,1]=4 1487 B7R0.1 C#CCCOCCO 34a_100011215631_100000211926 [1,1,0,0,0,0|1,0,1]=4 1488 B7R0.1 C/C=C/COCCO 34a_100016270725_100000211926 [1,1,0,0,0,0|1,0,1]=4 1489 B7R0.1 C=CCCOCCN 34a_100000210304_100000754431 [1,1,0,0,0,0|1,0,1]=4 1490 B7R0.1 C=CCCOCCO 34a_100011205117_100000211926 [1,1,0,0,0,0|1,0,1]=4 1491 B7R0.1 CC/C=C\CCOC 34a_100016288707_200000210301 [1,1,0,0,0,0|2,0,0]=4 1492 B7R0.1 CC/C=C\CCOC 34a_100138415774_100015370543 [1,1,0,0,0,0|2,0,0]=4 1493 B7R0.1 CC/C=C\CCOC 7a_100016288707_200000210301 [1,1,0,0,0,0|2,0,0]=4 1494 B7R0.1 CC/C=C\CCO[13CH3] 34a_100016288707_200025704644 [1,1,0,0,0,0|2,0,0]=4 1495 B7R0.1 CC/C=C\CCO[13CH3] 7a_100016288707_200025704644 [1,1,0,0,0,0|2,0,0]=4 1496 B7R0.1 CCC=NNCCO 4a_100000210001_100000210100 [1,1,0,0,0,0|2,0,0]=4 1497 B7R0.1 CCCCOCCN 34a_100000210304_100000210210 [1,1,0,0,0,0|1,0,1]=4 1498 B7R0.1 CCCCOCCO 34a_100000210227_100000211926 [1,1,0,0,0,0|1,0,1]=4 1499 B7R0.1 CCCCOCCO 7a_100000210227_100000211926 [1,1,0,0,0,0|1,0,1]=4 1500 B7R0.1 CCCOCCCN 34a_100000182051_100000210303 [1,1,0,0,0,0|1,0,1]=4 1501 B7R0.1 CCCOCCCO 34a_100000210258_100000230001 [1,1,0,0,0,0|1,0,1]=4 1502 B7R0.1 CCCOCCNC 2230a_100161115042_200000210301 [1,1,0,0,0,0|1,0,1]=4 1503 B7R0.1 CCCOCCNC 2230a_106832991635_100011215938 [1,1,0,0,0,0|1,0,1]=4 1504 B7R0.1 CCCOCCNC 34a_100102657272_100011215938 [1,1,0,0,0,0|1,0,1]=4 1505 B7R0.1 CCCOCCNC 34a_100161115042_200000210301 [1,1,0,0,0,0|1,0,1]=4 1506 B7R0.1 CCCOCCNC 7a_106832991635_100011215938 [1,1,0,0,0,0|1,0,1]=4 1507 B7R0.1 CCCOCCN[13CH3] 2230a_100161115042_200025704644 [1,1,0,0,0,0|1,0,1]=4 1508 B7R0.1 CCCOCCN[13CH3] 34a_100161115042_200025704644 [1,1,0,0,0,0|1,0,1]=4 1509 B7R0.1 CCCOCCOC 34a_100000210237_100000210303 [1,1,0,0,0,0|1,0,1]=4 1510 B7R0.1 CCCOCCOC 34a_100000210258_100011201679 [1,1,0,0,0,0|1,0,1]=4 1511 B7R0.1 CCCOCCOC 34a_100000752267_200000210301 [1,1,0,0,0,0|1,0,1]=4 1512 B7R0.1 CCCOCCOC 34a_100138415774_100011215938 [1,1,0,0,0,0|1,0,1]=4 1513 B7R0.1 CCCOCCOC 7a_100000752267_200000210301 [1,1,0,0,0,0|1,0,1]=4 1514 B7R0.1 CCCOCCON 34a_100000700252_100000210303 [1,1,0,0,0,0|1,0,1]=4 1515 B7R0.1 CCCOCCO[13CH3] 34a_100000752267_200025704644 [1,1,0,0,0,0|1,0,1]=4 1516 B7R0.1 CCCOCCO[13CH3] 7a_100000752267_200025704644 [1,1,0,0,0,0|1,0,1]=4 1517 B7R0.1 CNCCCCCO 2230a_100000762737_200000210301 [1,1,0,0,0,0|1,0,1]=4 1518 B7R0.1 CNCCCCCO 2230a_106832991635_100000746330 [1,1,0,0,0,0|1,0,1]=4 1519 B7R0.1 CNCCCCCO 34a_100000762737_200000210301 [1,1,0,0,0,0|1,0,1]=4 1520 B7R0.1 CNCCCCCO 34a_100102657272_100000746330 [1,1,0,0,0,0|1,0,1]=4 1521 B7R0.1 CNCCCCCO 7a_106832991635_100000746330 [1,1,0,0,0,0|1,0,1]=4 1522 B7R0.1 CNCCOCCO 2230a_100000211614_200000210301 [1,1,0,0,0,0|0,0,1]=3 1523 B7R0.1 CNCCOCCO 2230a_106832991635_100011215305 [1,1,0,0,0,0|0,0,1]=3 1524 B7R0.1 CNCCOCCO 34a_100000211614_200000210301 [1,1,0,0,0,0|0,0,1]=3 1525 B7R0.1 CNCCOCCO 34a_100102657272_100000692535 [1,1,0,0,0,0|0,0,1]=3 1526 B7R0.1 CNCCOCCO 7a_106832991635_100011215305 [1,1,0,0,0,0|0,0,1]=3 1527 B7R0.1 CNCCSCCO 2230a_100011219999_200000210301 [1,1,0,0,0,0|0,1,1]=4 1528 B7R0.1 COCCCCCN 34a_100000762737_200000210301 [1,1,0,0,0,0|1,0,1]=4 1529 B7R0.1 COCCOCCBr 34a_100000211926_100011201679 [1,1,0,0,0,0|1,0,1]=4 1530 B7R0.1 COCCOCCBr 34a_100000692535_200000210301 [1,1,0,0,0,0|1,0,1]=4 1531 B7R0.1 COCCOCCBr 7a_100000692535_200000210301 [1,1,0,0,0,0|1,0,1]=4 1532 B7R0.1 COCCOCCCl 34a_100011215305_200000210301 [1,1,0,0,0,0|1,0,1]=4 1533 B7R0.1 COCCOCCCl 7a_100011215305_200000210301 [1,1,0,0,0,0|1,0,1]=4 1534 B7R0.1 COCCOCCF 34a_100000210237_100011217306 [1,1,0,0,0,0|1,0,1]=4 1535 B7R0.1 COCCOCCF 34a_200015357709_200000210301 [1,1,0,0,0,0|1,0,1]=4 1536 B7R0.1 COCCOCCF 7a_200015357709_200000210301 [1,1,0,0,0,0|1,0,1]=4 1537 B7R0.1 COCCOCCI 34a_100012149058_200000210301 [1,1,0,0,0,0|1,0,1]=4 1538 B7R0.1 COCCOCCI 7a_100012149058_200000210301 [1,1,0,0,0,0|1,0,1]=4 1539 B7R0.1 COCCOCCN 34a_100000210304_100011201679 [1,1,0,0,0,0|0,0,1]=3 1540 B7R0.1 COCCOCCN 34a_100000211614_200000210301 [1,1,0,0,0,0|0,0,1]=3 1541 B7R0.1 COCCOCCO 34a_100000210237_100000211926 [1,1,0,0,0,0|1,0,1]=4 1542 B7R0.1 COCCOCCO 34a_100138415774_100000692535 [1,1,0,0,0,0|1,0,1]=4 1543 B7R0.1 CSCCOCCN 34a_100000210304_100000212216 [1,1,0,0,0,0|0,1,1]=4 1544 B7R0.1 CSCCOCCO 34a_100000230434_100000211926 [1,1,0,0,0,0|1,0,1]=4 1545 B7R0.1 CSCCOCCO 62a_100011215305_200000210301 [1,1,0,0,0,0|1,0,1]=4 1546 B7R0.1 CSCCOCCO 62a_200000210301_100011215305 [1,1,0,0,0,0|1,0,1]=4 1547 B7R0.1 CSCCOCCO 7a_100000230434_100000211926 [1,1,0,0,0,0|1,0,1]=4 1548 B7R0.1 NCCCOCCF 34a_100000182051_100011217306 [1,1,0,0,0,0|1,0,1]=4 1549 B7R0.1 NCCCOCCO 34a_100000182051_100000211926 [1,1,0,0,0,0|0,0,1]=3 1550 B7R0.1 NCCOCCCF 34a_100000210304_100011934791 [1,1,0,0,0,0|1,0,1]=4 1551 B7R0.1 NCCOCCCO 34a_100000210304_100000230001 [1,1,0,0,0,0|0,0,1]=3 1552 B7R0.1 NOCCOCCF 34a_100000700252_100011217306 [1,1,0,0,0,0|1,0,1]=4 1553 B7R0.1 NOCCOCCO 34a_100000700252_100000211926 [1,1,0,0,0,0|0,0,1]=3 1554 B7R0.1 OCCCOCCBr 34a_100000211926_100000230001 [1,1,0,0,0,0|1,0,1]=4 1555 B7R0.1 OCCOCCCBr 34a_100011217188_100000211926 [1,1,0,0,0,0|1,0,1]=4 1556 B7R0.1 OCCOCCCCl 34a_100000230001_100000211926 [1,1,0,0,0,0|1,0,1]=4 1557 B7R0.1 OCCOCCCF 34a_100000759539_100000211926 [1,1,0,0,0,0|1,0,1]=4 1558 B7R0.1 [13CH3]NCCCCCO 2230a_100000762737_200025704644 [1,1,0,0,0,0|1,0,1]=4 1559 B7R0.1 [13CH3]NCCCCCO 34a_100000762737_200025704644 [1,1,0,0,0,0|1,0,1]=4 1560 B7R0.1 [13CH3]NCCOCCO 2230a_100000211614_200025704644 [1,1,0,0,0,0|0,0,1]=3 1561 B7R0.1 [13CH3]NCCOCCO 34a_100000211614_200025704644 [1,1,0,0,0,0|0,0,1]=3 1562 B7R0.1 [13CH3]NCCSCCO 2230a_100011219999_200025704644 [1,1,0,0,0,0|0,1,1]=4 1563 B7R0.1 [13CH3]OCCCCCN 34a_100000762737_200025704644 [1,1,0,0,0,0|1,0,1]=4 1564 B7R0.1 [13CH3]OCCOCCBr 34a_100000692535_200025704644 [1,1,0,0,0,0|1,0,1]=4 1565 B7R0.1 [13CH3]OCCOCCBr 7a_100000692535_200025704644 [1,1,0,0,0,0|1,0,1]=4 1566 B7R0.1 [13CH3]OCCOCCCl 34a_100011215305_200025704644 [1,1,0,0,0,0|1,0,1]=4 1567 B7R0.1 [13CH3]OCCOCCCl 7a_100011215305_200025704644 [1,1,0,0,0,0|1,0,1]=4 1568 B7R0.1 [13CH3]OCCOCCF 34a_200015357709_200025704644 [1,1,0,0,0,0|1,0,1]=4 1569 B7R0.1 [13CH3]OCCOCCF 7a_200015357709_200025704644 [1,1,0,0,0,0|1,0,1]=4 1570 B7R0.1 [13CH3]OCCOCCI 34a_100012149058_200025704644 [1,1,0,0,0,0|1,0,1]=4 1571 B7R0.1 [13CH3]OCCOCCI 7a_100012149058_200025704644 [1,1,0,0,0,0|1,0,1]=4 1572 B7R0.1 [13CH3]OCCOCCN 34a_100000211614_200025704644 [1,1,0,0,0,0|0,0,1]=3 1573 B7R0.1 [13CH3]SCCOCCO 62a_100011215305_200025704644 [1,1,0,0,0,0|1,0,1]=4 1574 B7R0.1 [13CH3]SCCOCCO 62a_200025704644_100011215305 [1,1,0,0,0,0|1,0,1]=4 1575 B9R0.4 C=CCOC(=O)CN(C)C 2230a_100102631434_100000033060 [0,2,0,0,0,0|1,0,1]=4 1576 B9R0.4 C=CCOC(=O)CN(C)C 269982a_100102631434_100000033060 [0,2,0,0,0,0|1,0,1]=4 1577 B9R0.4 CC(C)CC(=O)CCCO 1458a_100000210554_100011215043 [0,2,0,0,0,0|2,0,0]=4 1578 B9R0.4 CC(C)CC(=O)NCCO 240690a_100000210304_100000210554 [0,2,0,0,0,0|2,0,0]=4 1579 B9R0.4 CC(C)CC(=O)NCCO 527a_100000210304_100000210554 [0,2,0,0,0,0|2,0,0]=4 1580 B9R0.4 CC(C)NC(=O)NCCO 2708a_100138425928_100000210304 [0,2,0,0,0,0|2,0,0]=4 1581 B9R0.4 CC(C)NC(=O)NCCO 273464a_100138425928_100000210304 [0,2,0,0,0,0|2,0,0]=4 1582 B9R0.4 CC(C)NC(=O)NCCO 512a_100138425928_100000210304 [0,2,0,0,0,0|2,0,0]=4 1583 B9R0.4 CCCCC(=O)CC(=O)N 1458a_100000210183_100000187820 [0,2,0,0,0,0|2,0,0]=4 1584 B9R0.4 CCCCC(=O)CC(=O)N 1458a_100134613110_100000210211 [0,2,0,0,0,0|2,0,0]=4 1585 B9R0.4 CCCCC(=O)CN(C)C 1458a_100000750896_100000210211 [0,2,0,0,0,0|2,0,0]=4 1586 B9R0.4 CCCNC(=O)CC(=O)N 240690a_100020643023_100134613110 [0,2,0,0,0,0|2,0,0]=4 1587 B9R0.4 CCCNC(=O)CC(=O)N 527a_100020643023_100134613110 [0,2,0,0,0,0|2,0,0]=4 1588 B9R0.4 CCCNC(=O)CN(C)C 11a_100020643023_100000750896 [0,2,0,0,0,0|2,0,0]=4 1589 B9R0.4 CCCNC(=O)CN(C)C 2230a_100000684209_200000210301 [0,2,0,0,0,0|2,0,0]=4 1590 B9R0.4 CCCNC(=O)CN(C)C 2230a_100102631434_100000183358 [0,2,0,0,0,0|2,0,0]=4 1591 B9R0.4 CCCNC(=O)CN(C)C 240690a_100020643023_100000750896 [0,2,0,0,0,0|2,0,0]=4 1592 B9R0.4 CCCNC(=O)CN(C)C 269982a_100000684209_200000210301 [0,2,0,0,0,0|2,0,0]=4 1593 B9R0.4 CCCNC(=O)CN(C)C 269982a_100102631434_100000183358 [0,2,0,0,0,0|2,0,0]=4 1594 B9R0.4 CCCNC(=O)CN(C)C 527a_100020643023_100000750896 [0,2,0,0,0,0|2,0,0]=4 1595 B9R0.4 CCCNC(=O)CN(C)[13CH3] 2230a_100000684209_200025704644 [0,2,0,0,0,0|2,0,0]=4 1596 B9R0.4 CCCNC(=O)CN(C)[13CH3] 269982a_100000684209_200025704644 [0,2,0,0,0,0|2,0,0]=4 1597 B9R0.4 CCCOC(=O)CC(=O)C 1458a_100000070787_200011215008 [0,2,0,0,0,0|2,0,0]=4 1598 B9R0.4 CCCOC(=O)CN(C)C 2230a_100102631434_200011215008 [0,2,0,0,0,0|1,0,0]=3 1599 B9R0.4 CCCOC(=O)CN(C)C 269982a_100102631434_200011215008 [0,2,0,0,0,0|1,0,0]=3 1600 B9R0.4 CN(C)CC(=O)CCCF 1458a_100000750896_100011934791 [0,2,0,0,0,0|2,0,0]=4 1601 B9R0.4 CN(C)CC(=O)CCCO 1458a_100000750896_100011215043 [0,2,0,0,0,0|1,0,0]=3 1602 B9R0.4 CN(C)CC(=O)NCCF 11a_100000724931_100000750896 [0,2,0,0,0,0|2,0,0]=4 1603 B9R0.4 CN(C)CC(=O)NCCF 240690a_100000724931_100000750896 [0,2,0,0,0,0|2,0,0]=4 1604 B9R0.4 CN(C)CC(=O)NCCF 527a_100000724931_100000750896 [0,2,0,0,0,0|2,0,0]=4 1605 B9R0.4 CN(C)CC(=O)NCCO 240690a_100000210304_100000750896 [0,2,0,0,0,0|1,0,0]=3 1606 B9R0.4 CN(C)CC(=O)NCCO 527a_100000210304_100000750896 [0,2,0,0,0,0|1,0,0]=3 1607 B9R0.4 C[C@@H](O)CC(=O)CCCO 1458a_100011933948_100011215043 [0,2,0,0,0,0|2,0,0]=4 1608 B9R0.4 C[C@@H](O)CC(=O)NCCO 240690a_100000210304_100011933948 [0,2,0,0,0,0|2,0,0]=4 1609 B9R0.4 C[S+](C)CC(=O)CCCO 1458a_200159257847_100011215043 [0,2,0,0,0,0|2,0,0]=4 1610 B9R0.4 C[S+](C)CC(=O)NCCO 240690a_100000210304_200159257847 [0,2,0,0,0,0|2,0,0]=4 1611 B9R0.4 C[S+](C)CC(=O)NCCO 527a_100000210304_200159257847 [0,2,0,0,0,0|2,0,0]=4 1612 B9R0.4 NC(=O)CC(=O)C#CCO 1458a_100000049017_100000187820 [0,2,0,0,0,0|1,0,1]=4 1613 B9R0.4 NC(=O)CC(=O)CCCF 1458a_100134613110_100011934791 [0,2,0,0,0,0|2,0,0]=4 1614 B9R0.4 NC(=O)CC(=O)CCCO 1458a_100134613110_100011215043 [0,2,0,0,0,0|1,0,0]=3 1615 B9R0.4 NC(=O)CC(=O)NCCF 240690a_100000724931_100134613110 [0,2,0,0,0,0|2,0,0]=4 1616 B9R0.4 NC(=O)CC(=O)NCCF 527a_100000724931_100134613110 [0,2,0,0,0,0|2,0,0]=4 1617 B9R0.4 NC(=O)CC(=O)NCCO 240690a_100000210304_100134613110 [0,2,0,0,0,0|1,0,0]=3 1618 B9R0.4 NC(=O)CC(=O)NCCO 527a_100000210304_100134613110 [0,2,0,0,0,0|1,0,0]=3 1619 B9R0.5 C#CCC(=O)CCCCO 1458a_100000695505_100000184674 [0,2,0,0,0,0|2,0,0]=4 1620 B9R0.5 C#CCC(=O)CCCCO 1458a_100011220946_100000210776 [0,2,0,0,0,0|2,0,0]=4 1621 B9R0.5 C#CCC(=O)CCCOC 1458a_100000741012_100000184674 [0,2,0,0,0,0|2,0,0]=4 1622 B9R0.5 C#CCC(=O)CCCOC 1458a_100011220946_100000740836 [0,2,0,0,0,0|2,0,0]=4 1623 B9R0.5 C#CCC(=O)COCCC 1458a_100000745993_100000184674 [0,2,0,0,0,0|2,0,0]=4 1624 B9R0.5 C#CCC(=O)COCCO 1458a_100000708028_100000184674 [0,2,0,0,0,0|1,0,0]=3 1625 B9R0.5 C#CCC(=O)NCCCO 527a_100000182051_100011220946 [0,2,0,0,0,0|2,0,0]=4 1626 B9R0.5 C#CCC(=O)NCCOC 1626a_100000209980_100011220946 [0,2,0,0,0,0|2,0,0]=4 1627 B9R0.5 C#CCC(=O)NCCOC 527a_100000209980_100011220946 [0,2,0,0,0,0|2,0,0]=4 1628 B9R0.5 C=CCC(=O)CCCCO 1458a_100000210193_100000210776 [0,2,0,0,0,0|2,0,0]=4 1629 B9R0.5 C=CCC(=O)CCCCO 1458a_100000695505_100000210623 [0,2,0,0,0,0|2,0,0]=4 1630 B9R0.5 C=CCC(=O)CCCOC 1458a_100000210193_100000740836 [0,2,0,0,0,0|2,0,0]=4 1631 B9R0.5 C=CCC(=O)CCCOC 1458a_100000741012_100000210623 [0,2,0,0,0,0|2,0,0]=4 1632 B9R0.5 C=CCC(=O)COCCC 1458a_100000745993_100000210623 [0,2,0,0,0,0|2,0,0]=4 1633 B9R0.5 C=CCC(=O)COCCO 1458a_100000708028_100000210623 [0,2,0,0,0,0|1,0,0]=3 1634 B9R0.5 C=CCC(=O)NCCCO 240690a_100000182051_100000210193 [0,2,0,0,0,0|2,0,0]=4 1635 B9R0.5 C=CCC(=O)NCCCO 527a_100000182051_100000210193 [0,2,0,0,0,0|2,0,0]=4 1636 B9R0.5 C=CCC(=O)NCCOC 1626a_100000209980_100000210193 [0,2,0,0,0,0|2,0,0]=4 1637 B9R0.5 C=CCC(=O)NCCOC 240690a_100000209980_100000210193 [0,2,0,0,0,0|2,0,0]=4 1638 B9R0.5 C=CCC(=O)NCCOC 527a_100000209980_100000210193 [0,2,0,0,0,0|2,0,0]=4 1639 B9R0.5 C=CCC(=O)NNCCO 22a_100000210001_100000210193 [0,2,0,0,0,0|2,0,0]=4 1640 B9R0.5 CC(CCN)COCCO 34a_106354213184_100000211926 [0,2,0,0,0,0|1,0,1]=4 1641 B9R0.5 CCCC(=O)CCCCO 1458a_100000211992_100000210776 [0,2,0,0,0,0|2,0,0]=4 1642 B9R0.5 CCCC(=O)CCCCO 1458a_100000695505_100000210303 [0,2,0,0,0,0|2,0,0]=4 1643 B9R0.5 CCCC(=O)CCCOC 1458a_100000211992_100000740836 [0,2,0,0,0,0|2,0,0]=4 1644 B9R0.5 CCCC(=O)CCCOC 1458a_100000741012_100000210303 [0,2,0,0,0,0|2,0,0]=4 1645 B9R0.5 CCCC(=O)CNCCO 2230a_100016997473_100000747444 [0,2,0,0,0,0|2,0,0]=4 1646 B9R0.5 CCCC(=O)COCCO 1458a_100000708028_100000210303 [0,2,0,0,0,0|1,0,0]=3 1647 B9R0.5 CCCC(=O)CSCCO 62a_100000211926_100000747444 [0,2,0,0,0,0|1,1,0]=4 1648 B9R0.5 CCCC(=O)CSCCO 62a_100000747444_100000211926 [0,2,0,0,0,0|1,1,0]=4 1649 B9R0.5 CCCC(=O)NCCCO 240690a_100000182051_100000211992 [0,2,0,0,0,0|2,0,0]=4 1650 B9R0.5 CCCC(=O)NCCCO 527a_100000182051_100000211992 [0,2,0,0,0,0|2,0,0]=4 1651 B9R0.5 CCCC(=O)NCCOC 1626a_100000209980_100000211992 [0,2,0,0,0,0|2,0,0]=4 1652 B9R0.5 CCCC(=O)NCCOC 240690a_100000209980_100000211992 [0,2,0,0,0,0|2,0,0]=4 1653 B9R0.5 CCCC(=O)NCCOC 527a_100000209980_100000211992 [0,2,0,0,0,0|2,0,0]=4 1654 B9R0.5 CCCC(=O)NNCCO 22a_100000210001_100000211992 [0,2,0,0,0,0|2,0,0]=4 1655 B9R0.5 CCCC(=O)OCNCC 2230a_100015525214_100000034017 [0,2,0,0,0,0|2,0,0]=4 1656 B9R0.5 CCCC(=O)OCOCC 34a_100121572206_100000034017 [0,2,0,0,0,0|2,0,0]=4 1657 B9R0.5 CCCC(=O)OCSCC 62a_100000210202_100000034017 [0,2,0,0,0,0|2,0,0]=4 1658 B9R0.5 CCCC(=O)OCSCF 62a_100015361967_100000034017 [0,2,0,0,0,0|2,0,0]=4 1659 B9R0.5 CCCCCC(=O)CNC 2230a_106832991635_200012276598 [0,2,0,0,0,0|2,0,0]=4 1660 B9R0.5 CCCCCC(=O)CNC 34a_100102657272_200012276598 [0,2,0,0,0,0|2,0,0]=4 1661 B9R0.5 CCCCCC(=O)CNC 7a_106832991635_200012276598 [0,2,0,0,0,0|2,0,0]=4 1662 B9R0.5 CCCCNC(=O)CNC 2230a_106832991635_100000182744 [0,2,0,0,0,0|2,0,0]=4 1663 B9R0.5 CCCCNC(=O)CNC 34a_100102657272_100000182744 [0,2,0,0,0,0|2,0,0]=4 1664 B9R0.5 CCCCNC(=O)CNC 7a_106832991635_100000182744 [0,2,0,0,0,0|2,0,0]=4 1665 B9R0.5 CCCCOC(=O)CNC 2230a_106832991635_100000211628 [0,2,0,0,0,0|1,0,0]=3 1666 B9R0.5 CCCCOC(=O)CNC 34a_100102657272_100000211628 [0,2,0,0,0,0|1,0,0]=3 1667 B9R0.5 CCCCOC(=O)CNC 7a_106832991635_100000211628 [0,2,0,0,0,0|1,0,0]=3 1668 B9R0.5 CCCCOC(=O)COC 34a_100138415774_100000211628 [0,2,0,0,0,0|2,0,0]=4 1669 B9R0.5 CCCCOC(=O)CSC 62a_100000211628_200000210301 [0,2,0,0,0,0|2,0,0]=4 1670 B9R0.5 CCCCOC(=O)CSC 62a_200000210301_100000211628 [0,2,0,0,0,0|2,0,0]=4 1671 B9R0.5 CCCCOC(=O)CS[13CH3] 62a_100000211628_200025704644 [0,2,0,0,0,0|2,0,0]=4 1672 B9R0.5 CCCCOC(=O)CS[13CH3] 62a_200025704644_100000211628 [0,2,0,0,0,0|2,0,0]=4 1673 B9R0.5 CCCOCC(=O)CC#N 1458a_100000745993_100011214920 [0,2,0,0,0,0|1,0,1]=4 1674 B9R0.5 CCCOCC(=O)CCC 1458a_100000745993_100000210303 [0,2,0,0,0,0|2,0,0]=4 1675 B9R0.5 CCCOCC(=O)CCF 1458a_100000745993_100011217306 [0,2,0,0,0,0|2,0,0]=4 1676 B9R0.5 CCCOCC(=O)CCO 1458a_100000745993_100000211926 [0,2,0,0,0,0|2,0,0]=4 1677 B9R0.5 CCCOCC(=O)NCC 11a_100015525214_100000745993 [0,2,0,0,0,0|2,0,0]=4 1678 B9R0.5 CCCOCC(=O)NCC 240690a_100015525214_100000745993 [0,2,0,0,0,0|2,0,0]=4 1679 B9R0.5 CCCOCC(=O)NCC 34a_100000210258_100000183381 [0,2,0,0,0,0|2,0,0]=4 1680 B9R0.5 CCCOCC(=O)NCC 527a_100015525214_100000745993 [0,2,0,0,0,0|2,0,0]=4 1681 B9R0.5 CCCOCC(=O)NCO 34a_100000210258_100000185155 [0,2,0,0,0,0|2,0,0]=4 1682 B9R0.5 CCCOCC(=O)NNC 22a_100016993582_100000745993 [0,2,0,0,0,0|2,0,0]=4 1683 B9R0.5 CCCOCC(=O)OCC 34a_100000210258_100000188475 [0,2,0,0,0,0|2,0,0]=4 1684 B9R0.5 CCNC(=O)CCCOC 11a_100015525214_100000741012 [0,2,0,0,0,0|2,0,0]=4 1685 B9R0.5 CCNC(=O)CCCOC 240690a_100015525214_100000741012 [0,2,0,0,0,0|2,0,0]=4 1686 B9R0.5 CCNC(=O)CCCOC 527a_100015525214_100000741012 [0,2,0,0,0,0|2,0,0]=4 1687 B9R0.5 CCNC(=O)CNCCO 2230a_100016988866_100000211926 [0,2,0,0,0,0|2,0,0]=4 1688 B9R0.5 CCNC(=O)CNCCO 2230a_100016997473_100000183381 [0,2,0,0,0,0|2,0,0]=4 1689 B9R0.5 CCNC(=O)CNCCO 34a_100016990907_100000183381 [0,2,0,0,0,0|2,0,0]=4 1690 B9R0.5 CCNC(=O)COCCBr 34a_100000211926_100000183381 [0,2,0,0,0,0|2,0,0]=4 1691 B9R0.5 CCNC(=O)COCCN 34a_100000210304_100000183381 [0,2,0,0,0,0|2,0,0]=4 1692 B9R0.5 CCNC(=O)COCCO 240690a_100015525214_100000708028 [0,2,0,0,0,0|1,0,0]=3 1693 B9R0.5 CCNC(=O)CSCCO 62a_100000183381_100000211926 [0,2,0,0,0,0|1,1,0]=4 1694 B9R0.5 CCNC(=O)CSCCO 62a_100000211926_100000183381 [0,2,0,0,0,0|1,1,0]=4 1695 B9R0.5 CCNC(=O)NCCCO 2708a_100015525214_100000182051 [0,2,0,0,0,0|2,0,0]=4 1696 B9R0.5 CCNC(=O)NCCCO 273464a_100000182051_100015525214 [0,2,0,0,0,0|2,0,0]=4 1697 B9R0.5 CCNC(=O)NCCCO 273464a_100015525214_100000182051 [0,2,0,0,0,0|2,0,0]=4 1698 B9R0.5 CCNC(=O)NCCCO 512a_100015525214_100000182051 [0,2,0,0,0,0|2,0,0]=4 1699 B9R0.5 CCNC(=O)NCCOC 2708a_100015525214_100000209980 [0,2,0,0,0,0|2,0,0]=4 1700 B9R0.5 CCNC(=O)NCCOC 273464a_100000209980_100015525214 [0,2,0,0,0,0|2,0,0]=4 1701 B9R0.5 CCNC(=O)NCCOC 273464a_100015525214_100000209980 [0,2,0,0,0,0|2,0,0]=4 1702 B9R0.5 CCNC(=O)NNCCO 273464a_100015525214_100000210001 [0,2,0,0,0,0|2,0,0]=4 1703 B9R0.5 CCNC(=O)NNCCO 512a_100015525214_100000210001 [0,2,0,0,0,0|2,0,0]=4 1704 B9R0.5 CCOC(=O)CCCOC 34a_100138415774_100009991533 [0,2,0,0,0,0|2,0,0]=4 1705 B9R0.5 CCOC(=O)CCCOC 7a_100012001163_200000210301 [0,2,0,0,0,0|2,0,0]=4 1706 B9R0.5 CCOC(=O)CCCO[13CH3] 7a_100012001163_200025704644 [0,2,0,0,0,0|2,0,0]=4 1707 B9R0.5 CCOC(=O)CNCCO 2230a_100016997473_100000188475 [0,2,0,0,0,0|2,0,0]=4 1708 B9R0.5 CCOC(=O)CNCCO 34a_100016990907_100000188475 [0,2,0,0,0,0|2,0,0]=4 1709 B9R0.5 CCOC(=O)COCCBr 34a_100000211926_100000188475 [0,2,0,0,0,0|2,0,0]=4 1710 B9R0.5 CCOC(=O)COCCN 34a_100000210304_100000188475 [0,2,0,0,0,0|2,0,0]=4 1711 B9R0.5 CCOC(=O)CSCCO 62a_100000188475_100000211926 [0,2,0,0,0,0|1,1,0]=4 1712 B9R0.5 CCOC(=O)CSCCO 62a_100000211926_100000188475 [0,2,0,0,0,0|1,1,0]=4 1713 B9R0.5 CCOC(=O)NCCOC 34a_100000158857_200000210301 [0,2,0,0,0,0|2,0,0]=4 1714 B9R0.5 CCOC(=O)NCCO[13CH3] 34a_100000158857_200025704644 [0,2,0,0,0,0|2,0,0]=4 1715 B9R0.5 CCOC(=O)OCSCC 62a_100000210202_100000075025 [0,2,0,0,0,0|2,0,0]=4 1716 B9R0.5 CCOC(=O)OCSCF 62a_100015361967_100000075025 [0,2,0,0,0,0|2,0,0]=4 1717 B9R0.5 CNCC(=O)NCCOC 2230a_100000754632_200000210301 [0,2,0,0,0,0|1,0,0]=3 1718 B9R0.5 CNCC(=O)NCCOC 2230a_106832991635_100000183275 [0,2,0,0,0,0|1,0,0]=3 1719 B9R0.5 CNCC(=O)NCCOC 34a_100102657272_100000183275 [0,2,0,0,0,0|1,0,0]=3 1720 B9R0.5 CNCC(=O)NCCOC 7a_106832991635_100000183275 [0,2,0,0,0,0|1,0,0]=3 1721 B9R0.5 CNCC(=O)OCCOC 2230a_106832991635_200000040189 [0,2,0,0,0,0|0,0,0]=2 1722 B9R0.5 CNCC(=O)OCCOC 34a_100102657272_200000040189 [0,2,0,0,0,0|0,0,0]=2 1723 B9R0.5 CNCC(=O)OCCOC 7a_106832991635_200000040189 [0,2,0,0,0,0|0,0,0]=2 1724 B9R0.5 CNNC(=O)CCCOC 22a_100016993582_100000741012 [0,2,0,0,0,0|2,0,0]=4 1725 B9R0.5 CNNC(=O)NCCCO 273464a_100000182051_100016993582 [0,2,0,0,0,0|2,0,0]=4 1726 B9R0.5 CNNC(=O)NCCCO 512a_100016993582_100000182051 [0,2,0,0,0,0|2,0,0]=4 1727 B9R0.5 CNNC(=O)NCCOC 273464a_100000209980_100016993582 [0,2,0,0,0,0|2,0,0]=4 1728 B9R0.5 COCC(=O)CCCCO 1458a_100000210968_100000210776 [0,2,0,0,0,0|2,0,0]=4 1729 B9R0.5 COCC(=O)NCCCO 240690a_100000182051_100000210968 [0,2,0,0,0,0|2,0,0]=4 1730 B9R0.5 COCC(=O)NCCCO 527a_100000182051_100000210968 [0,2,0,0,0,0|2,0,0]=4 1731 B9R0.5 COCC(=O)NNCCO 22a_100000210001_100000210968 [0,2,0,0,0,0|2,0,0]=4 1732 B9R0.5 COCCCC(=O)CC#N 1458a_100000741012_100011214920 [0,2,0,0,0,0|1,0,1]=4 1733 B9R0.5 COCCCC(=O)CC#N 1458a_100051588842_100000740836 [0,2,0,0,0,0|1,0,1]=4 1734 B9R0.5 COCCCC(=O)CCF 1458a_100000741012_100011217306 [0,2,0,0,0,0|2,0,0]=4 1735 B9R0.5 COCCCC(=O)CCO 1458a_100000741012_100000211926 [0,2,0,0,0,0|2,0,0]=4 1736 B9R0.5 COCCCC(=O)CCO 1458a_100011216618_100000740836 [0,2,0,0,0,0|2,0,0]=4 1737 B9R0.5 COCCCC(=O)COC 1458a_100000210968_100000740836 [0,2,0,0,0,0|2,0,0]=4 1738 B9R0.5 COCCCC(=O)CSC 1458a_100000184570_100000740836 [0,2,0,0,0,0|2,0,0]=4 1739 B9R0.5 COCCNC(=O)CC#N 1626a_100000209980_100051588842 [0,2,0,0,0,0|1,0,1]=4 1740 B9R0.5 COCCNC(=O)CC#N 240690a_100000209980_100051588842 [0,2,0,0,0,0|1,0,1]=4 1741 B9R0.5 COCCNC(=O)CCO 240690a_100000209980_100011216618 [0,2,0,0,0,0|2,0,0]=4 1742 B9R0.5 COCCNC(=O)CN[13CH3] 2230a_100000754632_200025704644 [0,2,0,0,0,0|1,0,0]=3 1743 B9R0.5 COCCNC(=O)COC 1626a_100000209980_100000210968 [0,2,0,0,0,0|2,0,0]=4 1744 B9R0.5 COCCNC(=O)COC 240690a_100000209980_100000210968 [0,2,0,0,0,0|2,0,0]=4 1745 B9R0.5 COCCNC(=O)COC 34a_100138415774_100000183275 [0,2,0,0,0,0|2,0,0]=4 1746 B9R0.5 COCCNC(=O)COC 527a_100000209980_100000210968 [0,2,0,0,0,0|2,0,0]=4 1747 B9R0.5 COCCNC(=O)CSC 1626a_100000209980_100000184570 [0,2,0,0,0,0|2,0,0]=4 1748 B9R0.5 COCCNC(=O)CSC 240690a_100000209980_100000184570 [0,2,0,0,0,0|2,0,0]=4 1749 B9R0.5 COCCNC(=O)CSC 527a_100000209980_100000184570 [0,2,0,0,0,0|2,0,0]=4 1750 B9R0.5 COCCNC(=O)CSC 62a_100000183275_200000210301 [0,2,0,0,0,0|2,0,0]=4 1751 B9R0.5 COCCNC(=O)CSC 62a_200000210301_100000183275 [0,2,0,0,0,0|2,0,0]=4 1752 B9R0.5 COCCNC(=O)CS[13CH3] 62a_100000183275_200025704644 [0,2,0,0,0,0|2,0,0]=4 1753 B9R0.5 COCCNC(=O)CS[13CH3] 62a_200025704644_100000183275 [0,2,0,0,0,0|2,0,0]=4 1754 B9R0.5 COCCOC(=O)COC 34a_100138415774_200000040189 [0,2,0,0,0,0|1,0,0]=3 1755 B9R0.5 COCCOC(=O)CSC 62a_200000040189_200000210301 [0,2,0,0,0,0|1,0,0]=3 1756 B9R0.5 COCCOC(=O)CSC 62a_200000210301_200000040189 [0,2,0,0,0,0|1,0,0]=3 1757 B9R0.5 COCCOC(=O)CS[13CH3] 62a_200000040189_200025704644 [0,2,0,0,0,0|1,0,0]=3 1758 B9R0.5 COCCOC(=O)CS[13CH3] 62a_200025704644_200000040189 [0,2,0,0,0,0|1,0,0]=3 1759 B9R0.5 CSCC(=O)CCCCO 1458a_100000184570_100000210776 [0,2,0,0,0,0|2,0,0]=4 1760 B9R0.5 CSCC(=O)NCCCO 240690a_100000182051_100000184570 [0,2,0,0,0,0|2,0,0]=4 1761 B9R0.5 CSCC(=O)NCCCO 527a_100000182051_100000184570 [0,2,0,0,0,0|2,0,0]=4 1762 B9R0.5 CSCC(=O)NNCCO 22a_100000210001_100000184570 [0,2,0,0,0,0|2,0,0]=4 1763 B9R0.5 N#CCC(=O)CCCCO 1458a_100000695505_100011214920 [0,2,0,0,0,0|1,0,1]=4 1764 B9R0.5 N#CCC(=O)CCCCO 1458a_100051588842_100000210776 [0,2,0,0,0,0|1,0,1]=4 1765 B9R0.5 N#CCC(=O)COCCO 1458a_100000708028_100011214920 [0,2,0,0,0,0|0,0,1]=3 1766 B9R0.5 N#CCC(=O)NCCCO 240690a_100000182051_100051588842 [0,2,0,0,0,0|1,0,1]=4 1767 B9R0.5 N#CCC(=O)NNCCO 22a_100000210001_100051588842 [0,2,0,0,0,0|1,0,1]=4 1768 B9R0.5 NCCOCC(=O)NCO 34a_100000210304_100000185155 [0,2,0,0,0,0|2,0,0]=4 1769 B9R0.5 O=C(CCF)CCCCO 1458a_100000695505_100011217306 [0,2,0,0,0,0|2,0,0]=4 1770 B9R0.5 O=C(CCF)COCCO 1458a_100000708028_100011217306 [0,2,0,0,0,0|1,0,0]=3 1771 B9R0.5 O=C(CCO)CCCCO 1458a_100000695505_100000211926 [0,2,0,0,0,0|2,0,0]=4 1772 B9R0.5 O=C(CCO)CCCCO 1458a_100011216618_100000210776 [0,2,0,0,0,0|2,0,0]=4 1773 B9R0.5 O=C(CCO)COCCO 1458a_100000708028_100000211926 [0,2,0,0,0,0|1,0,0]=3 1774 B9R0.5 O=C(CCO)NCCCO 240690a_100000182051_100011216618 [0,2,0,0,0,0|2,0,0]=4 1775 B9R0.5 O=C(CCO)NNCCO 22a_100000210001_100011216618 [0,2,0,0,0,0|2,0,0]=4 1776 B9R0.5 O=C(CNCCO)NCO 2230a_100016997473_100000185155 [0,2,0,0,0,0|2,0,0]=4 1777 B9R0.5 O=C(CNCCO)NCO 34a_100016990907_100000185155 [0,2,0,0,0,0|2,0,0]=4 1778 B9R0.5 O=C(COCCBr)NCO 34a_100000211926_100000185155 [0,2,0,0,0,0|2,0,0]=4 1779 B9R0.5 O=C(CSCCO)NCO 62a_100000185155_100000211926 [0,2,0,0,0,0|1,1,0]=4 1780 B9R0.5 O=C(CSCCO)NCO 62a_100000211926_100000185155 [0,2,0,0,0,0|1,1,0]=4 1781 B9R0.8 C=CC(C)C(=O)CCCO 1458a_100011216780_100011215043 [0,2,0,0,0,0|2,0,0]=4 1782 B9R0.8 C=CC(C)C(=O)NCCO 240690a_100000210304_100011216780 [0,2,0,0,0,0|2,0,0]=4 1783 B9R0.8 C=CC(C)C(=O)NCCO 527a_100000210304_100011216780 [0,2,0,0,0,0|2,0,0]=4 1784 B9R0.8 CC(C#N)C(=O)CCCO 1458a_100000753662_100011215043 [0,2,0,0,0,0|1,0,1]=4 1785 B9R0.8 CC(C#N)C(=O)NCCO 240690a_100000210304_100000753662 [0,2,0,0,0,0|1,0,1]=4 1786 B9R0.8 CC(C#N)C(=O)NCCO 527a_100000210304_100000753662 [0,2,0,0,0,0|1,0,1]=4 1787 B9R0.8 CC(OCCF)C(=O)NN 34a_100000725659_100011217306 [0,2,0,0,0,0|2,0,0]=4 1788 B9R0.8 CC(OCCO)C(=O)NN 34a_100000725659_100000211926 [0,2,0,0,0,0|1,0,0]=3 1789 B9R0.8 CCC(=O)C(C)NCCO 2230a_100016997473_100000742827 [0,2,0,0,0,0|2,0,0]=4 1790 B9R0.8 CCC(=O)C(C)SCCO 62a_100000211926_100000742827 [0,2,0,0,0,0|1,1,0]=4 1791 B9R0.8 CCC(=O)C(C)SCCO 62a_100000742827_100000211926 [0,2,0,0,0,0|1,1,0]=4 1792 B9R0.8 CCC(=O)N(C)CCCO 240690a_100000213112_100000210414 [0,2,0,0,0,0|2,0,0]=4 1793 B9R0.8 CCC(=O)N(C)CCCO 527a_100000213112_100000210414 [0,2,0,0,0,0|2,0,0]=4 1794 B9R0.8 CCC(=O)N(C)CCOC 11a_100000743101_100000210414 [0,2,0,0,0,0|2,0,0]=4 1795 B9R0.8 CCC(=O)N(C)CCOC 1626a_100000743101_100000210414 [0,2,0,0,0,0|2,0,0]=4 1796 B9R0.8 CCC(=O)N(C)CCOC 240690a_100000743101_100000210414 [0,2,0,0,0,0|2,0,0]=4 1797 B9R0.8 CCC(=O)N(C)CCOC 527a_100000743101_100000210414 [0,2,0,0,0,0|2,0,0]=4 1798 B9R0.8 CCC(C)C(=O)CCCO 1458a_100011192722_100011215043 [0,2,0,0,0,0|2,0,0]=4 1799 B9R0.8 CCC(C)C(=O)NCCO 240690a_100000210304_100011192722 [0,2,0,0,0,0|2,0,0]=4 1800 B9R0.8 CCC(C)C(=O)NCCO 527a_100000210304_100011192722 [0,2,0,0,0,0|2,0,0]=4 1801 B9R0.8 CCC(O)C(=O)CCCO 1458a_100011196387_100011215043 [0,2,0,0,0,0|2,0,0]=4 1802 B9R0.8 CCC(O)C(=O)NCCO 240690a_100000210304_100011196387 [0,2,0,0,0,0|2,0,0]=4 1803 B9R0.8 CCCNC(=O)C(C)NC 2230a_100025744714_200000210301 [0,2,0,0,0,0|2,0,0]=4 1804 B9R0.8 CCCNC(=O)C(C)NC 2230a_106832991635_100000230305 [0,2,0,0,0,0|2,0,0]=4 1805 B9R0.8 CCCNC(=O)C(C)NC 34a_100025744714_200000210301 [0,2,0,0,0,0|2,0,0]=4 1806 B9R0.8 CCCNC(=O)C(C)NC 34a_100102657272_100000230305 [0,2,0,0,0,0|2,0,0]=4 1807 B9R0.8 CCCNC(=O)C(C)NC 7a_106832991635_100000230305 [0,2,0,0,0,0|2,0,0]=4 1808 B9R0.8 CCCNC(=O)C(C)N[13CH3] 2230a_100025744714_200025704644 [0,2,0,0,0,0|2,0,0]=4 1809 B9R0.8 CCCNC(=O)C(C)N[13CH3] 34a_100025744714_200025704644 [0,2,0,0,0,0|2,0,0]=4 1810 B9R0.8 CCCOC(=O)C(C)NC 2230a_106832991635_100000760410 [0,2,0,0,0,0|1,0,0]=3 1811 B9R0.8 CCCOC(=O)C(C)NC 34a_100102657272_100000760410 [0,2,0,0,0,0|1,0,0]=3 1812 B9R0.8 CCCOC(=O)C(C)NC 7a_106832991635_100000760410 [0,2,0,0,0,0|1,0,0]=3 1813 B9R0.8 CCCOC(=O)C(C)OC 34a_100000037348_200000210301 [0,2,0,0,0,0|2,0,0]=4 1814 B9R0.8 CCCOC(=O)C(C)OC 34a_100138415774_100000760410 [0,2,0,0,0,0|2,0,0]=4 1815 B9R0.8 CCCOC(=O)C(C)OC 7a_100000037348_200000210301 [0,2,0,0,0,0|2,0,0]=4 1816 B9R0.8 CCCOC(=O)C(C)O[13CH3] 34a_100000037348_200025704644 [0,2,0,0,0,0|2,0,0]=4 1817 B9R0.8 CCCOC(=O)C(C)O[13CH3] 7a_100000037348_200025704644 [0,2,0,0,0,0|2,0,0]=4 1818 B9R0.8 CCCOC(=O)C(C)SC 62a_100000760410_200000210301 [0,2,0,0,0,0|2,0,0]=4 1819 B9R0.8 CCCOC(=O)C(C)SC 62a_200000210301_100000760410 [0,2,0,0,0,0|2,0,0]=4 1820 B9R0.8 CCCOC(=O)C(C)S[13CH3] 62a_100000760410_200025704644 [0,2,0,0,0,0|2,0,0]=4 1821 B9R0.8 CCCOC(=O)C(C)S[13CH3] 62a_200025704644_100000760410 [0,2,0,0,0,0|2,0,0]=4 1822 B9R0.8 CCCOC(C)C(=O)NN 34a_100000725659_100000210303 [0,2,0,0,0,0|2,0,0]=4 1823 B9R0.8 CCN(C)C(=O)NCCO 273464a_100000210304_100000225621 [0,2,0,0,0,0|2,0,0]=4 1824 B9R0.8 CN(CCCO)C(=O)CO 240690a_100000213112_100000210174 [0,2,0,0,0,0|2,0,0]=4 1825 B9R0.8 CN(CCCO)C(=O)CO 527a_100000213112_100000210174 [0,2,0,0,0,0|2,0,0]=4 1826 B9R0.8 CNC(=O)C(=O)CCCO 1458a_100011218921_100011215043 [0,2,0,0,0,0|1,0,1]=4 1827 B9R0.8 CNC(=O)C(=O)NCCO 240690a_100000210304_100011218921 [0,2,0,0,0,0|1,0,1]=4 1828 B9R0.8 CNC(=O)C(=O)NCCO 527a_100000210304_100011218921 [0,2,0,0,0,0|1,0,1]=4 1829 B9R0.8 COC(=O)C(C)OCCO 34a_100011215400_100000211926 [0,2,0,0,0,0|2,0,0]=4 1830 B9R0.8 COC(C)C(=O)CCCO 1458a_100000743197_100011215043 [0,2,0,0,0,0|2,0,0]=4 1831 B9R0.8 COC(C)C(=O)NCCO 240690a_100000210304_100000743197 [0,2,0,0,0,0|2,0,0]=4 1832 B9R0.8 COC(C)C(=O)NCCO 527a_100000210304_100000743197 [0,2,0,0,0,0|2,0,0]=4 1833 B9R0.8 COCCN(C)C(=O)CO 240690a_100000743101_100000210174 [0,2,0,0,0,0|2,0,0]=4 1834 B9R0.8 COCCN(C)C(=O)CO 527a_100000743101_100000210174 [0,2,0,0,0,0|2,0,0]=4 1835 B9R0.8 CSC(C)C(=O)CCCO 1458a_100000149566_100011215043 [0,2,0,0,0,0|2,0,0]=4 1836 B9R0.8 CSC(C)C(=O)NCCO 240690a_100000210304_100000149566 [0,2,0,0,0,0|2,0,0]=4 1837 B9R0.8 CSC(C)C(=O)NCCO 527a_100000210304_100000149566 [0,2,0,0,0,0|2,0,0]=4 1838 B9R0.8 O=C(CCCO)C(O)CO 1458a_100011215603_100011215043 [0,2,0,0,0,0|2,0,0]=4 1839 B9R0.8 O=C(NCCO)C(O)CO 240690a_100000210304_100011215603 [0,2,0,0,0,0|2,0,0]=4 1840 B9R0.18 C#CCCC(=O)CCCO 1458a_100000692101_100011215043 [0,2,0,0,0,0|2,0,0]=4 1841 B9R0.18 C#CCCC(=O)NCCO 240690a_100000210304_100000692101 [0,2,0,0,0,0|2,0,0]=4 1842 B9R0.18 C#CCCC(=O)NCCO 527a_100000210304_100000692101 [0,2,0,0,0,0|2,0,0]=4 1843 B9R0.18 C#CCNC(=O)NCCO 2708a_100000212058_100000210304 [0,2,0,0,0,0|2,0,0]=4 1844 B9R0.18 C#CCNC(=O)NCCO 273464a_100000210304_100000212058 [0,2,0,0,0,0|2,0,0]=4 1845 B9R0.18 C#CCNC(=O)NCCO 273464a_100000212058_100000210304 [0,2,0,0,0,0|2,0,0]=4 1846 B9R0.18 C#CCNC(=O)NCCO 512a_100000212058_100000210304 [0,2,0,0,0,0|2,0,0]=4 1847 B9R0.18 C=CCCC(=O)CCCO 1458a_100000749702_100011215043 [0,2,0,0,0,0|2,0,0]=4 1848 B9R0.18 C=CCCC(=O)NCCO 240690a_100000210304_100000749702 [0,2,0,0,0,0|2,0,0]=4 1849 B9R0.18 C=CCCC(=O)NCCO 527a_100000210304_100000749702 [0,2,0,0,0,0|2,0,0]=4 1850 B9R0.18 C=CCNC(=O)NCCO 273464a_100000210304_100020586998 [0,2,0,0,0,0|2,0,0]=4 1851 B9R0.18 C=CCNC(=O)NCCO 273464a_100020586998_100000210304 [0,2,0,0,0,0|2,0,0]=4 1852 B9R0.18 C=CCNC(=O)NCCO 512a_100020586998_100000210304 [0,2,0,0,0,0|2,0,0]=4 1853 B9R0.18 C=CCOC(=O)CNCC 2230a_100015525214_100000033060 [0,2,0,0,0,0|1,0,1]=4 1854 B9R0.18 CC=CCC(=O)CCCO 1458a_100121576822_100011215043 [0,2,0,0,0,0|2,0,0]=4 1855 B9R0.18 CC=CCC(=O)NCCO 240690a_100000210304_100121576822 [0,2,0,0,0,0|2,0,0]=4 1856 B9R0.18 CC=CCC(=O)NCCO 527a_100000210304_100121576822 [0,2,0,0,0,0|2,0,0]=4 1857 B9R0.18 CCC#CC(=O)CCCO 1458a_100011827653_100011215043 [0,2,0,0,0,0|2,0,0]=4 1858 B9R0.18 CCC=CC(=O)CCCO 1458a_100000212282_100011215043 [0,2,0,0,0,0|2,0,0]=4 1859 B9R0.18 CCC=CC(=O)NCCO 240690a_100000210304_100000212282 [0,2,0,0,0,0|2,0,0]=4 1860 B9R0.18 CCCCC(=O)CCCO 1458a_100000210183_100011215043 [0,2,0,0,0,0|2,0,0]=4 1861 B9R0.18 CCCCC(=O)NCCO 240690a_100000210304_100000210183 [0,2,0,0,0,0|2,0,0]=4 1862 B9R0.18 CCCCC(=O)NCCO 527a_100000210304_100000210183 [0,2,0,0,0,0|2,0,0]=4 1863 B9R0.18 CCCNC(=O)CNCC 2230a_100000174927_100000210202 [0,2,0,0,0,0|2,0,0]=4 1864 B9R0.18 CCCNC(=O)CNCC 2230a_100015525214_100000183358 [0,2,0,0,0,0|2,0,0]=4 1865 B9R0.18 CCCNC(=O)NCCO 2708a_100020643023_100000210304 [0,2,0,0,0,0|2,0,0]=4 1866 B9R0.18 CCCNC(=O)NCCO 273464a_100000210304_100020643023 [0,2,0,0,0,0|2,0,0]=4 1867 B9R0.18 CCCNC(=O)NCCO 273464a_100020643023_100000210304 [0,2,0,0,0,0|2,0,0]=4 1868 B9R0.18 CCCNC(=O)NCCO 512a_100020643023_100000210304 [0,2,0,0,0,0|2,0,0]=4 1869 B9R0.18 CCCOC(=O)CNCC 2230a_100015525214_200011215008 [0,2,0,0,0,0|1,0,0]=3 1870 B9R0.18 CCCOC(=O)COCC 34a_100121572206_200011215008 [0,2,0,0,0,0|2,0,0]=4 1871 B9R0.18 CCCOC(=O)CSCC 62a_100000210202_200011215008 [0,2,0,0,0,0|2,0,0]=4 1872 B9R0.18 CCCOC(=O)CSCC 62a_200011215008_100000210202 [0,2,0,0,0,0|2,0,0]=4 1873 B9R0.18 CCCOC(=O)CSCF 62a_100015361967_200011215008 [0,2,0,0,0,0|2,0,0]=4 1874 B9R0.18 CCCOC(=O)CSCF 62a_200011215008_100015361967 [0,2,0,0,0,0|2,0,0]=4 1875 B9R0.18 CCCOC(=O)OCNC 34a_100102657272_200000139673 [0,2,0,0,0,0|1,0,0]=3 1876 B9R0.18 CCCOC(=O)OCNC 7a_106832991635_200000139673 [0,2,0,0,0,0|1,0,0]=3 1877 B9R0.18 CCCOC(=O)OCOC 34a_100138415774_200000139673 [0,2,0,0,0,0|2,0,0]=4 1878 B9R0.18 CCCOC(=O)OCSC 62a_200000210301_200000139673 [0,2,0,0,0,0|2,0,0]=4 1879 B9R0.18 CCCOC(=O)OCS[13CH3] 62a_200025704644_200000139673 [0,2,0,0,0,0|2,0,0]=4 1880 B9R0.18 CCNCC(=O)NCCF 2230a_100000725713_100000210202 [0,2,0,0,0,0|2,0,0]=4 1881 B9R0.18 CCNNC(=O)NCCO 273464a_100000210304_100000756455 [0,2,0,0,0,0|2,0,0]=4 1882 B9R0.18 CCNNC(=O)NCCO 512a_100000756455_100000210304 [0,2,0,0,0,0|2,0,0]=4 1883 B9R0.18 CCOCC(=O)CCCO 1458a_100000211967_100011215043 [0,2,0,0,0,0|2,0,0]=4 1884 B9R0.18 CCOCC(=O)NCCO 240690a_100000210304_100000211967 [0,2,0,0,0,0|2,0,0]=4 1885 B9R0.18 CCOCC(=O)NCCO 527a_100000210304_100000211967 [0,2,0,0,0,0|2,0,0]=4 1886 B9R0.18 CCSCC(=O)CCCO 1458a_100000230394_100011215043 [0,2,0,0,0,0|2,0,0]=4 1887 B9R0.18 CCSCC(=O)NCCO 240690a_100000210304_100000230394 [0,2,0,0,0,0|2,0,0]=4 1888 B9R0.18 CCSCC(=O)NCCO 527a_100000210304_100000230394 [0,2,0,0,0,0|2,0,0]=4 1889 B9R0.18 COCCC(=O)CCCO 1458a_100000749529_100011215043 [0,2,0,0,0,0|2,0,0]=4 1890 B9R0.18 COCCC(=O)NCCO 240690a_100000210304_100000749529 [0,2,0,0,0,0|2,0,0]=4 1891 B9R0.18 COCCC(=O)NCCO 527a_100000210304_100000749529 [0,2,0,0,0,0|2,0,0]=4 1892 B9R0.18 CSCCC(=O)CCCO 1458a_100000174002_100011215043 [0,2,0,0,0,0|2,0,0]=4 1893 B9R0.18 CSCCC(=O)NCCO 240690a_100000210304_100000174002 [0,2,0,0,0,0|2,0,0]=4 1894 B9R0.18 CSCCC(=O)NCCO 527a_100000210304_100000174002 [0,2,0,0,0,0|2,0,0]=4 1895 B9R0.18 N#CCCC(=O)CCCO 1458a_100011934036_100011215043 [0,2,0,0,0,0|1,0,1]=4 1896 B9R0.18 N#CCCC(=O)NCCO 240690a_100000210304_100011934036 [0,2,0,0,0,0|1,0,1]=4 1897 B9R0.18 N#CCCC(=O)NCCO 527a_100000210304_100011934036 [0,2,0,0,0,0|1,0,1]=4 1898 B9R0.18 N#CCNC(=O)NCCO 2708a_100000734998_100000210304 [0,2,0,0,0,0|1,0,1]=4 1899 B9R0.18 N#CCNC(=O)NCCO 273464a_100000210304_100000734998 [0,2,0,0,0,0|1,0,1]=4 1900 B9R0.18 N#CCNC(=O)NCCO 273464a_100000734998_100000210304 [0,2,0,0,0,0|1,0,1]=4 1901 B9R0.18 N#CCNC(=O)NCCO 512a_100000734998_100000210304 [0,2,0,0,0,0|1,0,1]=4 1902 B9R0.18 O=C(C#CCO)CCCO 1458a_100000049017_100011215043 [0,2,0,0,0,0|2,0,0]=4 1903 B9R0.18 O=C(NCCO)NCCF 273464a_100000210304_100000724931 [0,2,0,0,0,0|2,0,0]=4 1904 B9R0.18 O=C(NCCO)NCCF 273464a_100000724931_100000210304 [0,2,0,0,0,0|2,0,0]=4 1905 B9R0.18 O=C(NCCO)NCCO 273464a_100000210304_100000210304 [0,2,0,0,0,0|2,0,0]=4 1906 B9R0.18 [N-]=[N+]=NCC(=O)NCCO 240690a_100000210304_100000751907 [0,2,0,0,0,0|1,0,1]=4 1907 B9R0.34 C#CCC(=O)C[C@@H](C)CO 1458a_100011220946_100000059175 [0,2,0,0,0,0|2,0,0]=4 1908 B9R0.34 C#CCC(=O)N[C@H](C)CO 527a_100000737577_100011220946 [0,2,0,0,0,0|2,0,0]=4 1909 B9R0.34 C=CCC(=O)C[C@@H](C)CO 1458a_100000210193_100000059175 [0,2,0,0,0,0|2,0,0]=4 1910 B9R0.34 C=CCC(=O)N[C@H](C)CO 240690a_100000737577_100000210193 [0,2,0,0,0,0|2,0,0]=4 1911 B9R0.34 C=CCC(=O)N[C@H](C)CO 527a_100000737577_100000210193 [0,2,0,0,0,0|2,0,0]=4 1912 B9R0.34 CC(CN)OC(C)CCO 34a_100000210904_100009893172 [0,2,0,0,0,0|1,0,1]=4 1913 B9R0.34 CCC(=O)CC(=O)CCO 1458a_100011216618_100000747405 [0,2,0,0,0,0|2,0,0]=4 1914 B9R0.34 CCC(=O)CN(C)CCO 269982a_100000210263_100000747405 [0,2,0,0,0,0|2,0,0]=4 1915 B9R0.34 CCC(=O)N[C@H](C)CCO 240690a_100000706166_100000210414 [0,2,0,0,0,0|2,0,0]=4 1916 B9R0.34 CCC(=O)N[C@H](C)CCO 527a_100000706166_100000210414 [0,2,0,0,0,0|2,0,0]=4 1917 B9R0.34 CCC(=O)N[C@H](C)COC 11a_100000764878_100000210414 [0,2,0,0,0,0|2,0,0]=4 1918 B9R0.34 CCC(=O)N[C@H](C)COC 1626a_100000764878_100000210414 [0,2,0,0,0,0|2,0,0]=4 1919 B9R0.34 CCC(=O)N[C@H](C)COC 240690a_100000764878_100000210414 [0,2,0,0,0,0|2,0,0]=4 1920 B9R0.34 CCC(=O)N[C@H](C)COC 527a_100000764878_100000210414 [0,2,0,0,0,0|2,0,0]=4 1921 B9R0.34 CCC(C)NC(=O)CNC 2230a_106832991635_100000182745 [0,2,0,0,0,0|2,0,0]=4 1922 B9R0.34 CCC(C)NC(=O)CNC 34a_100102657272_100000182745 [0,2,0,0,0,0|2,0,0]=4 1923 B9R0.34 CCC(C)NC(=O)CNC 7a_106832991635_100000182745 [0,2,0,0,0,0|2,0,0]=4 1924 B9R0.34 CCCC(=O)C[C@@H](C)CO 1458a_100000211992_100000059175 [0,2,0,0,0,0|2,0,0]=4 1925 B9R0.34 CCCC(=O)N[C@H](C)CO 240690a_100000737577_100000211992 [0,2,0,0,0,0|2,0,0]=4 1926 B9R0.34 CCCC(=O)N[C@H](C)CO 527a_100000737577_100000211992 [0,2,0,0,0,0|2,0,0]=4 1927 B9R0.34 CCNC(=O)N[C@H](C)CO 2708a_100015525214_100000737577 [0,2,0,0,0,0|2,0,0]=4 1928 B9R0.34 CCNC(=O)N[C@H](C)CO 273464a_100000737577_100015525214 [0,2,0,0,0,0|2,0,0]=4 1929 B9R0.34 CCNC(=O)N[C@H](C)CO 512a_100000737577_100015525214 [0,2,0,0,0,0|2,0,0]=4 1930 B9R0.34 CCNC(=O)N[C@H](C)CO 512a_100015525214_100000737577 [0,2,0,0,0,0|2,0,0]=4 1931 B9R0.34 CNNC(=O)N[C@H](C)CO 273464a_100000737577_100016993582 [0,2,0,0,0,0|2,0,0]=4 1932 B9R0.34 CNNC(=O)N[C@H](C)CO 512a_100000737577_100016993582 [0,2,0,0,0,0|2,0,0]=4 1933 B9R0.34 CNNC(=O)N[C@H](C)CO 512a_100016993582_100000737577 [0,2,0,0,0,0|2,0,0]=4 1934 B9R0.34 COCC(=O)C[C@@H](C)CO 1458a_100000210968_100000059175 [0,2,0,0,0,0|2,0,0]=4 1935 B9R0.34 COCC(=O)N[C@H](C)CO 240690a_100000737577_100000210968 [0,2,0,0,0,0|2,0,0]=4 1936 B9R0.34 COCC(=O)N[C@H](C)CO 527a_100000737577_100000210968 [0,2,0,0,0,0|2,0,0]=4 1937 B9R0.34 COCC(C)OC(C)CN 34a_100000210904_100000765312 [0,2,0,0,0,0|1,0,1]=4 1938 B9R0.34 COC[C@@H](C)NC(=O)CO 240690a_100000764878_100000210174 [0,2,0,0,0,0|2,0,0]=4 1939 B9R0.34 COC[C@@H](C)NC(=O)CO 527a_100000764878_100000210174 [0,2,0,0,0,0|2,0,0]=4 1940 B9R0.34 CSCC(=O)C[C@@H](C)CO 1458a_100000184570_100000059175 [0,2,0,0,0,0|2,0,0]=4 1941 B9R0.34 CSCC(=O)N[C@H](C)CO 240690a_100000737577_100000184570 [0,2,0,0,0,0|2,0,0]=4 1942 B9R0.34 CSCC(=O)N[C@H](C)CO 527a_100000737577_100000184570 [0,2,0,0,0,0|2,0,0]=4 1943 B9R0.34 C[C@@H](CO)CC(=O)CC#N 1458a_100051588842_100000059175 [0,2,0,0,0,0|1,0,1]=4 1944 B9R0.34 C[C@@H](CO)CC(=O)CCO 1458a_100011216618_100000059175 [0,2,0,0,0,0|2,0,0]=4 1945 B9R0.34 C[C@H](CCO)NC(=O)CO 240690a_100000706166_100000210174 [0,2,0,0,0,0|2,0,0]=4 1946 B9R0.34 C[C@H](CCO)NC(=O)CO 527a_100000706166_100000210174 [0,2,0,0,0,0|2,0,0]=4 1947 B9R0.34 C[C@H](CO)NC(=O)CC#N 240690a_100000737577_100051588842 [0,2,0,0,0,0|1,0,1]=4 1948 B9R0.34 C[C@H](CO)NC(=O)CCO 240690a_100000737577_100011216618 [0,2,0,0,0,0|2,0,0]=4 1949 B9R0.35 C#CCC(=O)C(C)CCO 1458a_100011220946_100009893172 [0,2,0,0,0,0|2,0,0]=4 1950 B9R0.35 C#CCC(=O)N(C)CCO 527a_100000210263_100011220946 [0,2,0,0,0,0|2,0,0]=4 1951 B9R0.35 C=CCC(=O)C(C)CCO 1458a_100000210193_100009893172 [0,2,0,0,0,0|2,0,0]=4 1952 B9R0.35 C=CCC(=O)N(C)CCO 240690a_100000210263_100000210193 [0,2,0,0,0,0|2,0,0]=4 1953 B9R0.35 C=CCC(=O)N(C)CCO 527a_100000210263_100000210193 [0,2,0,0,0,0|2,0,0]=4 1954 B9R0.35 CC(CCO)C(=O)CC#N 1458a_100051588842_100009893172 [0,2,0,0,0,0|1,0,1]=4 1955 B9R0.35 CC(CCO)C(=O)CCO 1458a_100011216618_100009893172 [0,2,0,0,0,0|2,0,0]=4 1956 B9R0.35 CCCC(=O)C(C)CCO 1458a_100000211992_100009893172 [0,2,0,0,0,0|2,0,0]=4 1957 B9R0.35 CCCC(=O)N(C)CCO 240690a_100000210263_100000211992 [0,2,0,0,0,0|2,0,0]=4 1958 B9R0.35 CCCC(=O)N(C)CCO 527a_100000210263_100000211992 [0,2,0,0,0,0|2,0,0]=4 1959 B9R0.35 CCNC(=O)C(=O)CCO 1458a_200011297158_100000211926 [0,2,0,0,0,0|2,0,0]=4 1960 B9R0.35 CCNC(=O)N(C)CCO 2708a_100015525214_100000210263 [0,2,0,0,0,0|2,0,0]=4 1961 B9R0.35 CCNC(=O)N(C)CCO 273464a_100015525214_100000210263 [0,2,0,0,0,0|2,0,0]=4 1962 B9R0.35 CN(CCO)C(=O)CC#N 240690a_100000210263_100051588842 [0,2,0,0,0,0|1,0,1]=4 1963 B9R0.35 CN(CCO)C(=O)CCO 240690a_100000210263_100011216618 [0,2,0,0,0,0|2,0,0]=4 1964 B9R0.35 COCC(=O)C(C)CCO 1458a_100000210968_100009893172 [0,2,0,0,0,0|2,0,0]=4 1965 B9R0.35 COCC(=O)N(C)CCO 240690a_100000210263_100000210968 [0,2,0,0,0,0|2,0,0]=4 1966 B9R0.35 COCC(=O)N(C)CCO 527a_100000210263_100000210968 [0,2,0,0,0,0|2,0,0]=4 1967 B9R0.35 CSCC(=O)C(C)CCO 1458a_100000184570_100009893172 [0,2,0,0,0,0|2,0,0]=4 1968 B9R0.35 CSCC(=O)N(C)CCO 240690a_100000210263_100000184570 [0,2,0,0,0,0|2,0,0]=4 1969 B9R0.35 CSCC(=O)N(C)CCO 527a_100000210263_100000184570 [0,2,0,0,0,0|2,0,0]=4 1970 B9R0.40 COCC(CN)OCCO 34a_100000756049_100000211926 [0,2,0,0,0,0|0,0,2]=4 1971 B9R0.48 C#CCC(=O)CCC(C)O 1458a_100011220946_100012276601 [0,2,0,0,0,0|2,0,0]=4 1972 B9R0.48 C#CCC(=O)NCC(C)O 527a_100000210904_100011220946 [0,2,0,0,0,0|2,0,0]=4 1973 B9R0.48 C=CCC(=O)CCC(C)O 1458a_100000210193_100012276601 [0,2,0,0,0,0|2,0,0]=4 1974 B9R0.48 C=CCC(=O)NCC(C)O 11a_100000210904_100000210193 [0,2,0,0,0,0|2,0,0]=4 1975 B9R0.48 C=CCC(=O)NCC(C)O 240690a_100000210904_100000210193 [0,2,0,0,0,0|2,0,0]=4 1976 B9R0.48 C=CCC(=O)NCC(C)O 527a_100000210904_100000210193 [0,2,0,0,0,0|2,0,0]=4 1977 B9R0.48 CC(O)CCC(=O)CC#N 1458a_100051588842_100012276601 [0,2,0,0,0,0|1,0,1]=4 1978 B9R0.48 CC(O)CCC(=O)CCO 1458a_100011216618_100012276601 [0,2,0,0,0,0|2,0,0]=4 1979 B9R0.48 CC(O)CNC(=O)CC#N 240690a_100000210904_100051588842 [0,2,0,0,0,0|1,0,1]=4 1980 B9R0.48 CC(O)CNC(=O)CCO 240690a_100000210904_100011216618 [0,2,0,0,0,0|2,0,0]=4 1981 B9R0.48 CCCC(=O)CCC(C)O 1458a_100000211992_100012276601 [0,2,0,0,0,0|2,0,0]=4 1982 B9R0.48 CCCC(=O)NCC(C)O 11a_100000210904_100000211992 [0,2,0,0,0,0|2,0,0]=4 1983 B9R0.48 CCCC(=O)NCC(C)O 240690a_100000210904_100000211992 [0,2,0,0,0,0|2,0,0]=4 1984 B9R0.48 CCCC(=O)NCC(C)O 527a_100000210904_100000211992 [0,2,0,0,0,0|2,0,0]=4 1985 B9R0.48 CCNC(=O)NCC(C)O 2708a_100015525214_100000210904 [0,2,0,0,0,0|2,0,0]=4 1986 B9R0.48 CCNC(=O)NCC(C)O 273464a_100000210904_100015525214 [0,2,0,0,0,0|2,0,0]=4 1987 B9R0.48 CCNC(=O)NCC(C)O 273464a_100015525214_100000210904 [0,2,0,0,0,0|2,0,0]=4 1988 B9R0.48 CCNC(=O)NCC(C)O 512a_100000210904_100015525214 [0,2,0,0,0,0|2,0,0]=4 1989 B9R0.48 CCNC(=O)NCC(C)O 512a_100015525214_100000210904 [0,2,0,0,0,0|2,0,0]=4 1990 B9R0.48 CNCC(=O)NCC(=O)O 269956a_100000183575_200000210301 [0,2,0,0,0,0|1,0,1]=4 1991 B9R0.48 CNCC(=O)NCC(C)C 2230a_106832991635_100000183291 [0,2,0,0,0,0|2,0,0]=4 1992 B9R0.48 CNCC(=O)NCC(C)C 34a_100102657272_100000183291 [0,2,0,0,0,0|2,0,0]=4 1993 B9R0.48 CNCC(=O)NCC(C)C 7a_106832991635_100000183291 [0,2,0,0,0,0|2,0,0]=4 1994 B9R0.48 CNNC(=O)NCC(C)O 273464a_100000210904_100016993582 [0,2,0,0,0,0|2,0,0]=4 1995 B9R0.48 CNNC(=O)NCC(C)O 512a_100000210904_100016993582 [0,2,0,0,0,0|2,0,0]=4 1996 B9R0.48 CNNC(=O)NCC(C)O 512a_100016993582_100000210904 [0,2,0,0,0,0|2,0,0]=4 1997 B9R0.48 COCC(=O)CCC(C)O 1458a_100000210968_100012276601 [0,2,0,0,0,0|2,0,0]=4 1998 B9R0.48 COCC(=O)NCC(C)O 11a_100000210904_100000210968 [0,2,0,0,0,0|2,0,0]=4 1999 B9R0.48 COCC(=O)NCC(C)O 240690a_100000210904_100000210968 [0,2,0,0,0,0|2,0,0]=4 2000 B9R0.48 COCC(=O)NCC(C)O 527a_100000210904_100000210968 [0,2,0,0,0,0|2,0,0]=4 2001 B9R0.48 CSCC(=O)CCC(C)O 1458a_100000184570_100012276601 [0,2,0,0,0,0|2,0,0]=4 2002 B9R0.48 CSCC(=O)NCC(C)O 11a_100000210904_100000184570 [0,2,0,0,0,0|2,0,0]=4 2003 B9R0.48 CSCC(=O)NCC(C)O 240690a_100000210904_100000184570 [0,2,0,0,0,0|2,0,0]=4 2004 B9R0.48 CSCC(=O)NCC(C)O 527a_100000210904_100000184570 [0,2,0,0,0,0|2,0,0]=4 2005 B9R0.48 [13CH3]NCC(=O)NCC(=O)O 269956a_100000183575_200025704644 [0,2,0,0,0,0|1,0,1]=4 2006 B9R0.6 CC(C)C(=O)C(C)CCO 1458a_100000210198_100009893172 [0,2,0,0,0,0|2,0,0]=4 2007 B9R0.6 CC(C)C(=O)N(C)CCO 240690a_100000210263_100000210198 [0,2,0,0,0,0|2,0,0]=4 2008 B9R0.6 CC(C)C(=O)N(C)CCO 527a_100000210263_100000210198 [0,2,0,0,0,0|2,0,0]=4 2009 B9R0.6 CC(CCO)C(=O)C(O)O 1458a_100000233687_100009893172 [0,2,0,0,0,0|2,0,0]=4 2010 B9R0.6 CC(CCO)C(=O)[C@@H](C)O 1458a_100000717761_100009893172 [0,2,0,0,0,0|2,0,0]=4 2011 B9R0.6 CC(CCO)C(=O)[C@H](C)O 1458a_217856618621_100009893172 [0,2,0,0,0,0|2,0,0]=4 2012 B9R0.6 CC(F)C(=O)C(C)CCO 1458a_100000062450_100009893172 [0,2,0,0,0,0|2,0,0]=4 2013 B9R0.6 CC(F)C(=O)N(C)CCO 240690a_100000210263_100000062450 [0,2,0,0,0,0|2,0,0]=4 2014 B9R0.6 CC(F)C(=O)N(C)CCO 527a_100000210263_100000062450 [0,2,0,0,0,0|2,0,0]=4 2015 B9R0.6 CN(CCO)C(=O)C(=O)N 240690a_100000210263_100011215815 [0,2,0,0,0,0|1,0,1]=4 2016 B9R0.6 CN(CCO)C(=O)C(F)F 240690a_100000210263_100000210393 [0,2,0,0,0,0|2,0,0]=4 2017 B9R0.6 CN(CCO)C(=O)C(F)F 527a_100000210263_100000210393 [0,2,0,0,0,0|2,0,0]=4 2018 B9R0.6 CN(CCO)C(=O)C(O)O 240690a_100000210263_100000233687 [0,2,0,0,0,0|2,0,0]=4 2019 B9R0.6 C[C@@H](O)C(=O)N(C)CCO 240690a_100000210263_100000717761 [0,2,0,0,0,0|2,0,0]=4 2020 B9R0.6 C[C@H](O)C(=O)N(C)CCO 240690a_100000210263_217856618621 [0,2,0,0,0,0|2,0,0]=4 2021 B9R0.12 CCC(=O)N(CC)CCO 240690a_100000210973_100000210414 [0,2,0,0,0,0|2,0,0]=4 2022 B9R0.12 CCC(=O)N(CC)CCO 527a_100000210973_100000210414 [0,2,0,0,0,0|2,0,0]=4 2023 B9R0.12 CCN(CCO)C(=O)CO 240690a_100000210973_100000210174 [0,2,0,0,0,0|2,0,0]=4 2024 B9R0.12 CCN(CCO)C(=O)CO 527a_100000210973_100000210174 [0,2,0,0,0,0|2,0,0]=4 2025 B9R0.23 CC(O)CN(C)C(=O)CO 240690a_100000227577_100000210174 [0,2,0,0,0,0|2,0,0]=4 2026 B9R0.23 CC(O)CN(C)C(=O)CO 527a_100000227577_100000210174 [0,2,0,0,0,0|2,0,0]=4 2027 B9R0.23 CCC(=O)N(C)CC(C)O 240690a_100000227577_100000210414 [0,2,0,0,0,0|2,0,0]=4 2028 B9R0.23 CCC(=O)N(C)CC(C)O 527a_100000227577_100000210414 [0,2,0,0,0,0|2,0,0]=4 2029 B9R0.27 CC(CO)N(C)C(=O)CO 240690a_100000693034_100000210174 [0,2,0,0,0,0|2,0,0]=4 2030 B9R0.27 CC(CO)N(C)C(=O)CO 527a_100000693034_100000210174 [0,2,0,0,0,0|2,0,0]=4 2031 B9R0.27 CCC(=O)N(C)C(C)CO 240690a_100000693034_100000210414 [0,2,0,0,0,0|2,0,0]=4 2032 B9R0.27 CCC(=O)N(C)C(C)CO 527a_100000693034_100000210414 [0,2,0,0,0,0|2,0,0]=4 2033 B9R0.27 CCC(=O)[C@H](O)[C@H](O)CO 1458a_100015448053_100000210202 [0,2,0,0,0,0|2,0,0]=4 2034 B9R0.27 O=C(CF)[C@H](O)[C@H](O)CO 1458a_100015448053_100015361967 [0,2,0,0,0,0|2,0,0]=4 2035 B9R0.1 CC(C)COCC(=O)CF 1458a_100011223364_100015361967 [0,2,0,0,0,0|2,0,0]=4 2036 B9R0.1 CC(CN)COC[C@@H](C)O 34a_100000744482_100009817552 [0,2,0,0,0,0|1,0,1]=4 2037 B9R0.1 CC(O)CCCC(=O)CO 1458a_100000210174_200000718107 [0,2,0,0,0,0|2,0,0]=4 2038 B9R0.1 CC(O)CCNC(=O)CO 240690a_200000755665_100000210174 [0,2,0,0,0,0|2,0,0]=4 2039 B9R0.1 CC(O)CCNC(=O)CO 527a_200000755665_100000210174 [0,2,0,0,0,0|2,0,0]=4 2040 B9R0.1 CC(O)CCOC(C)CN 34a_100000210904_100012276601 [0,2,0,0,0,0|1,0,1]=4 2041 B9R0.1 CC(O)CNNC(=O)CO 22a_200000730056_100000210174 [0,2,0,0,0,0|2,0,0]=4 2042 B9R0.1 CC(O)COCC(C)CN 34a_100000744482_100011218427 [0,2,0,0,0,0|1,0,1]=4 2043 B9R0.1 CC(O)COC[C@H](F)CN 34a_100015665980_100011218427 [0,2,0,0,0,0|1,0,1]=4 2044 B9R0.1 CCC(=O)CCCC(C)O 1458a_100000210414_200000718107 [0,2,0,0,0,0|2,0,0]=4 2045 B9R0.1 CCC(=O)COCC(C)C 1458a_100011223364_100000210202 [0,2,0,0,0,0|2,0,0]=4 2046 B9R0.1 CCC(=O)COCC(C)C 34a_100000725409_100000210624 [0,2,0,0,0,0|2,0,0]=4 2047 B9R0.1 CCC(=O)COCC(C)O 34a_100000725409_100011218427 [0,2,0,0,0,0|1,0,0]=3 2048 B9R0.1 CCC(=O)COCC(F)F 34a_100000725409_100011934356 [0,2,0,0,0,0|2,0,0]=4 2049 B9R0.1 CCC(=O)COC[C@@H](C)O 34a_100000725409_100009817552 [0,2,0,0,0,0|1,0,0]=3 2050 B9R0.1 CCC(=O)CSCC(C)O 62a_100000747405_100011218427 [0,2,0,0,0,0|1,1,0]=4 2051 B9R0.1 CCC(=O)CSCC(C)O 62a_100011218427_100000747405 [0,2,0,0,0,0|1,1,0]=4 2052 B9R0.1 CCC(=O)CSC[C@@H](C)O 62a_100000747405_100009817552 [0,2,0,0,0,0|1,1,0]=4 2053 B9R0.1 CCC(=O)CSC[C@@H](C)O 62a_100009817552_100000747405 [0,2,0,0,0,0|1,1,0]=4 2054 B9R0.1 CCC(=O)NCCC(C)O 240690a_200000755665_100000210414 [0,2,0,0,0,0|2,0,0]=4 2055 B9R0.1 CCC(=O)NCCC(C)O 527a_200000755665_100000210414 [0,2,0,0,0,0|2,0,0]=4 2056 B9R0.1 CCC(=O)NNCC(C)O 22a_200000730056_100000210414 [0,2,0,0,0,0|2,0,0]=4 2057 B9R0.1 CNC(=O)COCC(C)O 34a_100000750040_100011218427 [0,2,0,0,0,0|2,0,0]=4 2058 B9R0.1 CNC(=O)COC[C@@H](C)O 34a_100000750040_100009817552 [0,2,0,0,0,0|2,0,0]=4 2059 B9R0.1 C[C@@H](O)COC[C@H](F)CN 34a_100015665980_100009817552 [0,2,0,0,0,0|1,0,1]=4 2060 B9R0.20 NCC(F)(F)COCCO 34a_100000703232_100000211926 [0,2,0,0,0,0|1,0,1]=4 2061 B9R0.24 C=CC(O)COC(C)CN 34a_100000210904_100000730141 [0,2,0,0,0,0|1,0,1]=4 2062 B9R0.24 CC(CN)COC(C)CO 34a_100000744482_100012180447 [0,2,0,0,0,0|1,0,1]=4 2063 B9R0.24 CC(CN)OCC(O)CO 34a_100000210904_100011219619 [0,2,0,0,0,0|1,0,1]=4 2064 B9R0.24 CC(CN)OC[C@@H](C)CO 34a_100000210904_100000059175 [0,2,0,0,0,0|1,0,1]=4 2065 B9R0.24 CC(CN)OC[C@@H](O)CF 34a_100000210904_100015614560 [0,2,0,0,0,0|1,0,1]=4 2066 B9R0.24 CC(CN)OC[C@@H](O)CO 34a_100000210904_100009815848 [0,2,0,0,0,0|1,0,1]=4 2067 B9R0.24 CC(CO)CNC(=O)CO 240690a_100000744482_100000210174 [0,2,0,0,0,0|2,0,0]=4 2068 B9R0.24 CC(CO)CNC(=O)CO 527a_100000744482_100000210174 [0,2,0,0,0,0|2,0,0]=4 2069 B9R0.24 CC(CO)OC[C@H](F)CN 34a_100015665980_100012180447 [0,2,0,0,0,0|1,0,1]=4 2070 B9R0.24 CCC(=O)COC(C)CC 34a_100000725409_100011215416 [0,2,0,0,0,0|2,0,0]=4 2071 B9R0.24 CCC(=O)COC(C)CC 7a_100000210228_100000747405 [0,2,0,0,0,0|2,0,0]=4 2072 B9R0.24 CCC(=O)COC(C)CF 7a_100016041109_100000747405 [0,2,0,0,0,0|2,0,0]=4 2073 B9R0.24 CCC(=O)COC(C)CO 34a_100000725409_100012180447 [0,2,0,0,0,0|1,0,0]=3 2074 B9R0.24 CCC(=O)CSC(C)CO 62a_100012180447_100000747405 [0,2,0,0,0,0|1,1,0]=4 2075 B9R0.24 CCC(=O)CS[C@H](C)CO 62a_100000747405_100016084084 [0,2,0,0,0,0|1,1,0]=4 2076 B9R0.24 CCC(=O)CS[C@H](C)CO 62a_100016084084_100000747405 [0,2,0,0,0,0|1,1,0]=4 2077 B9R0.24 CCC(=O)NCC(C)CO 240690a_100000744482_100000210414 [0,2,0,0,0,0|2,0,0]=4 2078 B9R0.24 CCC(=O)NCC(C)CO 527a_100000744482_100000210414 [0,2,0,0,0,0|2,0,0]=4 2079 B9R0.24 CCC(=O)NCC(O)CC 11a_100011218483_100000210414 [0,2,0,0,0,0|2,0,0]=4 2080 B9R0.24 CCC(=O)NCC(O)CC 240690a_100011218483_100000210414 [0,2,0,0,0,0|2,0,0]=4 2081 B9R0.24 CCC(=O)NCC(O)CC 527a_100011218483_100000210414 [0,2,0,0,0,0|2,0,0]=4 2082 B9R0.24 CCC(=O)NC[C@@H](C)OC 11a_100020591295_100000210414 [0,2,0,0,0,0|2,0,0]=4 2083 B9R0.24 CCC(=O)NC[C@@H](C)OC 1626a_100020591295_100000210414 [0,2,0,0,0,0|2,0,0]=4 2084 B9R0.24 CCC(=O)NC[C@@H](C)OC 240690a_100020591295_100000210414 [0,2,0,0,0,0|2,0,0]=4 2085 B9R0.24 CCC(=O)NC[C@@H](C)OC 527a_100020591295_100000210414 [0,2,0,0,0,0|2,0,0]=4 2086 B9R0.24 CCC(=O)NC[C@@H](F)CO 240690a_100015665980_100000210414 [0,2,0,0,0,0|2,0,0]=4 2087 B9R0.24 CCC(=O)NC[C@@H](F)CO 527a_100015665980_100000210414 [0,2,0,0,0,0|2,0,0]=4 2088 B9R0.24 CCC(=O)NC[C@H](O)CO 240690a_100020644852_100000210414 [0,2,0,0,0,0|2,0,0]=4 2089 B9R0.24 CCC(=O)NC[C@H](O)CO 527a_100020644852_100000210414 [0,2,0,0,0,0|2,0,0]=4 2090 B9R0.24 CCC(O)CNC(=O)CO 240690a_100011218483_100000210174 [0,2,0,0,0,0|2,0,0]=4 2091 B9R0.24 CCC(O)CNC(=O)CO 527a_100011218483_100000210174 [0,2,0,0,0,0|2,0,0]=4 2092 B9R0.24 CCC(O)COC(C)CN 34a_100000210904_100011218378 [0,2,0,0,0,0|1,0,1]=4 2093 B9R0.24 CNC(=O)COC(C)CO 34a_100000750040_100012180447 [0,2,0,0,0,0|2,0,0]=4 2094 B9R0.24 CO[C@H](C)CNC(=O)CO 240690a_100020591295_100000210174 [0,2,0,0,0,0|2,0,0]=4 2095 B9R0.24 CO[C@H](C)CNC(=O)CO 527a_100020591295_100000210174 [0,2,0,0,0,0|2,0,0]=4 2096 B9R0.24 O=C(CO)NC[C@@H](F)CO 240690a_100015665980_100000210174 [0,2,0,0,0,0|2,0,0]=4 2097 B9R0.24 O=C(CO)NC[C@@H](F)CO 527a_100015665980_100000210174 [0,2,0,0,0,0|2,0,0]=4 2098 B9R0.24 O=C(CO)NC[C@H](O)CO 240690a_100020644852_100000210174 [0,2,0,0,0,0|2,0,0]=4 2099 B9R0.24 O=C(CO)NC[C@H](O)CO 527a_100020644852_100000210174 [0,2,0,0,0,0|2,0,0]=4 2100 B9R0.46 C#CC(=O)CCOCCO 1458a_100000211873_100011215305 [0,2,0,0,0,0|1,0,1]=4 2101 B9R0.46 C#CCCOCC(=O)CC 34a_100000725409_100000688953 [0,2,0,0,0,0|2,0,0]=4 2102 B9R0.46 C=CC(=O)CCOCCO 1458a_100000185746_100011215305 [0,2,0,0,0,0|1,0,1]=4 2103 B9R0.46 C=CC(=O)OCCOCC 34a_100121572206_100009813456 [0,2,0,0,0,0|1,0,1]=4 2104 B9R0.46 C=CCCOCC(=O)CC 34a_100000725409_100000754431 [0,2,0,0,0,0|2,0,0]=4 2105 B9R0.46 C=COCCOC(C)CN 34a_100000210904_100000039644 [0,2,0,0,0,0|1,0,1]=4 2106 B9R0.46 CC(CN)COCCCO 34a_100000744482_100000230001 [0,2,0,0,0,0|1,0,1]=4 2107 B9R0.46 CC(CN)OCC#CCO 34a_100000210904_200000047223 [0,2,0,0,0,0|1,0,1]=4 2108 B9R0.46 CC(CN)OCCCCO 34a_100000210904_100011216708 [0,2,0,0,0,0|1,0,1]=4 2109 B9R0.46 CCC(=O)CCCCCO 1458a_100000210414_100000746330 [0,2,0,0,0,0|2,0,0]=4 2110 B9R0.46 CCC(=O)CCCCCO 1458a_100102619762_100000210202 [0,2,0,0,0,0|2,0,0]=4 2111 B9R0.46 CCC(=O)CCCCOC 1458a_100000210414_100000755781 [0,2,0,0,0,0|2,0,0]=4 2112 B9R0.46 CCC(=O)CCOCCO 1458a_100000210414_100011215305 [0,2,0,0,0,0|1,0,0]=3 2113 B9R0.46 CCC(=O)CCOCCO 1458a_100011229844_100000210202 [0,2,0,0,0,0|1,0,0]=3 2114 B9R0.46 CCC(=O)COCCCF 34a_100000725409_100011934791 [0,2,0,0,0,0|2,0,0]=4 2115 B9R0.46 CCC(=O)COCCCO 34a_100000725409_100000230001 [0,2,0,0,0,0|1,0,0]=3 2116 B9R0.46 CCC(=O)COCCOC 1458a_100000211095_100000210202 [0,2,0,0,0,0|1,0,0]=3 2117 B9R0.46 CCC(=O)COCCOC 34a_100000725409_100011201679 [0,2,0,0,0,0|1,0,0]=3 2118 B9R0.46 CCC(=O)COCCSC 34a_100000725409_100000212216 [0,2,0,0,0,0|1,1,0]=4 2119 B9R0.46 CCC(=O)COCCSC 7a_100000230434_100000747405 [0,2,0,0,0,0|1,1,0]=4 2120 B9R0.46 CCC(=O)CSCCCO 62a_100000747405_100011215043 [0,2,0,0,0,0|1,1,0]=4 2121 B9R0.46 CCC(=O)CSCCCO 62a_100011215043_100000747405 [0,2,0,0,0,0|1,1,0]=4 2122 B9R0.46 CCC(=O)CSCCOC 62a_100000233755_100000747405 [0,2,0,0,0,0|1,1,0]=4 2123 B9R0.46 CCC(=O)CSCCOC 62a_100000747405_100000233755 [0,2,0,0,0,0|1,1,0]=4 2124 B9R0.46 CCC(=O)NCCCCO 240690a_100000750430_100000210414 [0,2,0,0,0,0|2,0,0]=4 2125 B9R0.46 CCC(=O)NCCCCO 527a_100000750430_100000210414 [0,2,0,0,0,0|2,0,0]=4 2126 B9R0.46 CCC(=O)NCCCOC 1626a_100150723488_100000210414 [0,2,0,0,0,0|2,0,0]=4 2127 B9R0.46 CCC(=O)NCCCOC 240690a_100150723488_100000210414 [0,2,0,0,0,0|2,0,0]=4 2128 B9R0.46 CCC(=O)NCCCOC 527a_100150723488_100000210414 [0,2,0,0,0,0|2,0,0]=4 2129 B9R0.46 CCC(=O)NCCOCF 34a_200000158885_100015361967 [0,2,0,0,0,0|2,0,0]=4 2130 B9R0.46 CCC(=O)NCCOCF 7a_200000158885_100015361967 [0,2,0,0,0,0|2,0,0]=4 2131 B9R0.46 CCC(=O)NNCCOC 22a_100000741390_100000210414 [0,2,0,0,0,0|2,0,0]=4 2132 B9R0.46 CCC(=O)OCCOCF 7a_200000031056_100015361967 [0,2,0,0,0,0|1,0,0]=3 2133 B9R0.46 CCCCOCC(=O)CC 1458a_100000210414_100011995733 [0,2,0,0,0,0|2,0,0]=4 2134 B9R0.46 CCCCOCC(=O)CC 1458a_100000757543_100000210202 [0,2,0,0,0,0|2,0,0]=4 2135 B9R0.46 CCCCOCC(=O)CC 34a_100000725409_100000210210 [0,2,0,0,0,0|2,0,0]=4 2136 B9R0.46 CCCCOCC(=O)CC 7a_100000210227_100000747405 [0,2,0,0,0,0|2,0,0]=4 2137 B9R0.46 CCCCOCC(=O)CF 1458a_100000757543_100015361967 [0,2,0,0,0,0|2,0,0]=4 2138 B9R0.46 CCCCOCC(=O)CO 1458a_100000210174_100011995733 [0,2,0,0,0,0|2,0,0]=4 2139 B9R0.46 CCCOCCC(=O)CC 1458a_100000210414_100011215938 [0,2,0,0,0,0|2,0,0]=4 2140 B9R0.46 CCCOCCC(=O)CO 1458a_100000210174_100011215938 [0,2,0,0,0,0|2,0,0]=4 2141 B9R0.46 CCOCCCC(=O)CC 1458a_100000210414_100012232248 [0,2,0,0,0,0|2,0,0]=4 2142 B9R0.46 CCOCCCC(=O)CO 1458a_100000210174_100012232248 [0,2,0,0,0,0|2,0,0]=4 2143 B9R0.46 CCOCCCC(=O)NN 34a_100000211488_100000210202 [0,2,0,0,0,0|2,0,0]=4 2144 B9R0.46 CCOCCNC(=O)CC 11a_100011200944_100000210414 [0,2,0,0,0,0|2,0,0]=4 2145 B9R0.46 CCOCCNC(=O)CC 1626a_102516460346_100000210414 [0,2,0,0,0,0|2,0,0]=4 2146 B9R0.46 CCOCCNC(=O)CC 240690a_100011200944_100000210414 [0,2,0,0,0,0|2,0,0]=4 2147 B9R0.46 CCOCCNC(=O)CC 34a_200000158885_100000210202 [0,2,0,0,0,0|2,0,0]=4 2148 B9R0.46 CCOCCNC(=O)CC 527a_100011200944_100000210414 [0,2,0,0,0,0|2,0,0]=4 2149 B9R0.46 CCOCCNC(=O)CC 7a_200000158885_100000210202 [0,2,0,0,0,0|2,0,0]=4 2150 B9R0.46 CCOCCNC(=O)CO 240690a_100011200944_100000210174 [0,2,0,0,0,0|2,0,0]=4 2151 B9R0.46 CCOCCNC(=O)CO 527a_100011200944_100000210174 [0,2,0,0,0,0|2,0,0]=4 2152 B9R0.46 CCOCCOC(=O)CC 7a_200000031056_100000210202 [0,2,0,0,0,0|1,0,0]=3 2153 B9R0.46 CCOCCOC(=O)NC 34a_100121572206_200011997002 [0,2,0,0,0,0|2,0,0]=4 2154 B9R0.46 CCOCCOC(=O)OC 34a_100010262106_100000210202 [0,2,0,0,0,0|2,0,0]=4 2155 B9R0.46 CCOCCOC(C)CN 34a_100000210904_100000210147 [0,2,0,0,0,0|1,0,1]=4 2156 B9R0.46 CNC(=O)CCOCCO 1626a_100102657272_100011229844 [0,2,0,0,0,0|2,0,0]=4 2157 B9R0.46 CNC(=O)CCOCCO 240690a_100102657272_100011229844 [0,2,0,0,0,0|2,0,0]=4 2158 B9R0.46 CNC(=O)CCOCCO 34a_100000754576_100000211926 [0,2,0,0,0,0|2,0,0]=4 2159 B9R0.46 CNC(=O)COCCCO 34a_100000750040_100000230001 [0,2,0,0,0,0|2,0,0]=4 2160 B9R0.46 CNC(=O)COCCOC 11a_106832991635_100000211095 [0,2,0,0,0,0|2,0,0]=4 2161 B9R0.46 CNC(=O)COCCOC 1626a_100102657272_100000211095 [0,2,0,0,0,0|2,0,0]=4 2162 B9R0.46 CNC(=O)COCCOC 240690a_100102657272_100000211095 [0,2,0,0,0,0|2,0,0]=4 2163 B9R0.46 CNC(=O)COCCOC 34a_100000210237_100000183359 [0,2,0,0,0,0|2,0,0]=4 2164 B9R0.46 CNC(=O)COCCOC 34a_100000750040_100011201679 [0,2,0,0,0,0|2,0,0]=4 2165 B9R0.46 CNC(=O)COCCOC 527a_100102657272_100000211095 [0,2,0,0,0,0|2,0,0]=4 2166 B9R0.46 CNC(=O)COCCON 34a_100000700252_100000183359 [0,2,0,0,0,0|2,0,0]=4 2167 B9R0.46 COC(=O)COCCON 34a_100000700252_100000747449 [0,2,0,0,0,0|2,0,0]=4 2168 B9R0.46 COC(=O)OCCOCF 34a_100010262106_100015361967 [0,2,0,0,0,0|2,0,0]=4 2169 B9R0.46 COC(=O)OCSCCO 62a_100000211926_100000139417 [0,2,0,0,0,0|2,0,0]=4 2170 B9R0.46 COCCCCC(=O)CO 1458a_100000210174_100000755781 [0,2,0,0,0,0|2,0,0]=4 2171 B9R0.46 COCCCNC(=O)CO 240690a_100150723488_100000210174 [0,2,0,0,0,0|2,0,0]=4 2172 B9R0.46 COCCCNC(=O)CO 527a_100150723488_100000210174 [0,2,0,0,0,0|2,0,0]=4 2173 B9R0.46 COCCCOC(C)CN 34a_100000210904_100000740836 [0,2,0,0,0,0|1,0,1]=4 2174 B9R0.46 COCCNNC(=O)CO 22a_100000741390_100000210174 [0,2,0,0,0,0|2,0,0]=4 2175 B9R0.46 COCCOCC(=O)CF 1458a_100000211095_100015361967 [0,2,0,0,0,0|1,0,0]=3 2176 B9R0.46 COCCOCC(=O)OC 34a_100000210237_100000747449 [0,2,0,0,0,0|2,0,0]=4 2177 B9R0.46 COCCOCC(=O)OC 34a_100138415774_100000090808 [0,2,0,0,0,0|2,0,0]=4 2178 B9R0.46 COCCOCC(C)CN 34a_100000744482_100011201679 [0,2,0,0,0,0|1,0,1]=4 2179 B9R0.46 COCCOC[C@H](F)CN 34a_100015665980_100011201679 [0,2,0,0,0,0|1,0,1]=4 2180 B9R0.46 COCSCOC(=O)OC 62a_100000766300_100000139417 [0,2,0,0,0,0|2,0,0]=4 2181 B9R0.46 NC[C@@H](F)COCCCO 34a_100015665980_100000230001 [0,2,0,0,0,0|1,0,1]=4 2182 B9R0.46 NNC(=O)CCCOCF 34a_100000211488_100015361967 [0,2,0,0,0,0|2,0,0]=4 2183 B9R0.46 O=C(CF)CCCCCO 1458a_100102619762_100015361967 [0,2,0,0,0,0|2,0,0]=4 2184 B9R0.46 O=C(CF)CCOCCO 1458a_100011229844_100015361967 [0,2,0,0,0,0|1,0,0]=3 2185 B9R0.46 O=C(CO)CCCCCO 1458a_100000210174_100000746330 [0,2,0,0,0,0|2,0,0]=4 2186 B9R0.46 O=C(CO)CCOCCO 1458a_100000210174_100011215305 [0,2,0,0,0,0|1,0,0]=3 2187 B9R0.46 O=C(CO)NCCCCO 240690a_100000750430_100000210174 [0,2,0,0,0,0|2,0,0]=4 2188 B9R0.46 O=C(CO)NCCCCO 527a_100000750430_100000210174 [0,2,0,0,0,0|2,0,0]=4 2189 B9R0.47 C=C(C)C(=O)OCCOC 34a_100138415774_100009816335 [0,2,0,0,0,0|1,0,1]=4 2190 B9R0.47 CC(C)C(=O)CCCCO 1458a_100000210198_100000210776 [0,2,0,0,0,0|2,0,0]=4 2191 B9R0.47 CC(C)C(=O)CCCCO 1458a_100000695505_100000210206 [0,2,0,0,0,0|2,0,0]=4 2192 B9R0.47 CC(C)C(=O)CNCCO 2230a_100016997473_100000753385 [0,2,0,0,0,0|2,0,0]=4 2193 B9R0.47 CC(C)C(=O)CNCCO 34a_100016990907_100000753385 [0,2,0,0,0,0|2,0,0]=4 2194 B9R0.47 CC(C)C(=O)COCCBr 34a_100000211926_100000753385 [0,2,0,0,0,0|2,0,0]=4 2195 B9R0.47 CC(C)C(=O)COCCN 34a_100000210304_100000753385 [0,2,0,0,0,0|2,0,0]=4 2196 B9R0.47 CC(C)C(=O)COCCO 1458a_100000708028_100000210206 [0,2,0,0,0,0|1,0,0]=3 2197 B9R0.47 CC(C)C(=O)CSCCO 62a_100000211926_100000753385 [0,2,0,0,0,0|1,1,0]=4 2198 B9R0.47 CC(C)C(=O)CSCCO 62a_100000753385_100000211926 [0,2,0,0,0,0|1,1,0]=4 2199 B9R0.47 CC(C)C(=O)NCCCO 240690a_100000182051_100000210198 [0,2,0,0,0,0|2,0,0]=4 2200 B9R0.47 CC(C)C(=O)NCCCO 527a_100000182051_100000210198 [0,2,0,0,0,0|2,0,0]=4 2201 B9R0.47 CC(C)C(=O)NNCCO 22a_100000210001_100000210198 [0,2,0,0,0,0|2,0,0]=4 2202 B9R0.47 CC(C)C(=O)OCSCF 62a_100000139345_100015361967 [0,2,0,0,0,0|2,0,0]=4 2203 B9R0.47 CC(C)C(=O)OCSCF 62a_100015361967_100000139345 [0,2,0,0,0,0|2,0,0]=4 2204 B9R0.47 CC(F)C(=O)CCCCO 1458a_100000062450_100000210776 [0,2,0,0,0,0|2,0,0]=4 2205 B9R0.47 CC(F)C(=O)NCCCO 240690a_100000182051_100000062450 [0,2,0,0,0,0|2,0,0]=4 2206 B9R0.47 CC(F)C(=O)NCCCO 527a_100000182051_100000062450 [0,2,0,0,0,0|2,0,0]=4 2207 B9R0.47 CC(F)C(=O)NNCCO 22a_100000210001_100000062450 [0,2,0,0,0,0|2,0,0]=4 2208 B9R0.47 CCCOCC(=O)C(C)C 1458a_100000745993_100000210206 [0,2,0,0,0,0|2,0,0]=4 2209 B9R0.47 CCCOCC(=O)C(C)C 34a_100000210258_100000753385 [0,2,0,0,0,0|2,0,0]=4 2210 B9R0.47 CCSCOC(=O)C(C)C 62a_100000139345_100000210202 [0,2,0,0,0,0|2,0,0]=4 2211 B9R0.47 CCSCOC(=O)C(C)C 62a_100000210202_100000139345 [0,2,0,0,0,0|2,0,0]=4 2212 B9R0.47 CN(C)C(=O)COCCO 1626a_100102631434_100000708028 [0,2,0,0,0,0|2,0,0]=4 2213 B9R0.47 CN(C)C(=O)COCCO 240690a_100102631434_100000708028 [0,2,0,0,0,0|2,0,0]=4 2214 B9R0.47 COCCCC(=O)C(C)C 1458a_100000210198_100000740836 [0,2,0,0,0,0|2,0,0]=4 2215 B9R0.47 COCCCC(=O)C(C)C 1458a_100000741012_100000210206 [0,2,0,0,0,0|2,0,0]=4 2216 B9R0.47 COCCCC(=O)C(C)F 1458a_100000062450_100000740836 [0,2,0,0,0,0|2,0,0]=4 2217 B9R0.47 COCCCC(=O)C(O)O 1458a_100000233687_100000740836 [0,2,0,0,0,0|2,0,0]=4 2218 B9R0.47 COCCCC(=O)[C@@H](C)O 1458a_100000717761_100000740836 [0,2,0,0,0,0|2,0,0]=4 2219 B9R0.47 COCCCC(=O)[C@H](C)O 1458a_217856618621_100000740836 [0,2,0,0,0,0|2,0,0]=4 2220 B9R0.47 COCCNC(=O)C(=O)N 240690a_100000209980_100011215815 [0,2,0,0,0,0|1,0,1]=4 2221 B9R0.47 COCCNC(=O)C(C)C 1626a_100000209980_100000210198 [0,2,0,0,0,0|2,0,0]=4 2222 B9R0.47 COCCNC(=O)C(C)C 240690a_100000209980_100000210198 [0,2,0,0,0,0|2,0,0]=4 2223 B9R0.47 COCCNC(=O)C(C)C 527a_100000209980_100000210198 [0,2,0,0,0,0|2,0,0]=4 2224 B9R0.47 COCCNC(=O)C(C)F 1626a_100000209980_100000062450 [0,2,0,0,0,0|2,0,0]=4 2225 B9R0.47 COCCNC(=O)C(C)F 240690a_100000209980_100000062450 [0,2,0,0,0,0|2,0,0]=4 2226 B9R0.47 COCCNC(=O)C(C)F 527a_100000209980_100000062450 [0,2,0,0,0,0|2,0,0]=4 2227 B9R0.47 COCCNC(=O)C(F)F 1626a_100000209980_100000210393 [0,2,0,0,0,0|2,0,0]=4 2228 B9R0.47 COCCNC(=O)C(F)F 240690a_100000209980_100000210393 [0,2,0,0,0,0|2,0,0]=4 2229 B9R0.47 COCCNC(=O)C(F)F 527a_100000209980_100000210393 [0,2,0,0,0,0|2,0,0]=4 2230 B9R0.47 COCCNC(=O)C(O)O 240690a_100000209980_100000233687 [0,2,0,0,0,0|2,0,0]=4 2231 B9R0.47 COCCNC(=O)[C@@H](C)O 240690a_100000209980_100000717761 [0,2,0,0,0,0|2,0,0]=4 2232 B9R0.47 COCCNC(=O)[C@H](C)O 1626a_100000209980_217856618621 [0,2,0,0,0,0|2,0,0]=4 2233 B9R0.47 COCCNC(=O)[C@H](C)O 240690a_100000209980_217856618621 [0,2,0,0,0,0|2,0,0]=4 2234 B9R0.47 C[C@@H](O)C(=O)CCCCO 1458a_100000717761_100000210776 [0,2,0,0,0,0|2,0,0]=4 2235 B9R0.47 C[C@@H](O)C(=O)NCCCO 240690a_100000182051_100000717761 [0,2,0,0,0,0|2,0,0]=4 2236 B9R0.47 C[C@@H](O)C(=O)NNCCO 22a_100000210001_100000717761 [0,2,0,0,0,0|2,0,0]=4 2237 B9R0.47 C[C@H](O)C(=O)CCCCO 1458a_217856618621_100000210776 [0,2,0,0,0,0|2,0,0]=4 2238 B9R0.47 C[C@H](O)C(=O)NCCCO 240690a_100000182051_217856618621 [0,2,0,0,0,0|2,0,0]=4 2239 B9R0.47 C[C@H](O)C(=O)NNCCO 22a_100000210001_217856618621 [0,2,0,0,0,0|2,0,0]=4 2240 B9R0.47 NC(=O)C(=O)NCCCO 240690a_100000182051_100011215815 [0,2,0,0,0,0|1,0,1]=4 2241 B9R0.47 NC(=O)C(=O)NNCCO 22a_100000210001_100011215815 [0,2,0,0,0,0|1,0,1]=4 2242 B9R0.47 O=C(CCCCO)C(O)O 1458a_100000233687_100000210776 [0,2,0,0,0,0|2,0,0]=4 2243 B9R0.47 O=C(NCCCO)C(F)F 240690a_100000182051_100000210393 [0,2,0,0,0,0|2,0,0]=4 2244 B9R0.47 O=C(NCCCO)C(F)F 527a_100000182051_100000210393 [0,2,0,0,0,0|2,0,0]=4 2245 B9R0.47 O=C(NCCCO)C(O)O 240690a_100000182051_100000233687 [0,2,0,0,0,0|2,0,0]=4 2246 B9R0.47 O=C(NNCCO)C(F)F 22a_100000210001_100000210393 [0,2,0,0,0,0|2,0,0]=4 2247 B9R0.50 COCCOC(CN)CN 34a_100000031598_100011201679 [0,2,0,0,0,0|1,0,1]=4 2248 B9R0.50 NCC(CN)OCCCO 34a_100000031598_100000230001 [0,2,0,0,0,0|1,0,1]=4 2249 B9R0.3 CC(C)(C)C(=O)CCCO 1458a_106744555173_100011215043 [0,2,0,0,0,0|2,0,0]=4 2250 B9R0.3 CC(C)(C)C(=O)NCCO 240690a_100000210304_106744555173 [0,2,0,0,0,0|2,0,0]=4 2251 B9R0.3 CC(C)(C)C(=O)NCCO 527a_100000210304_106744555173 [0,2,0,0,0,0|2,0,0]=4 2252 B9R0.3 CC(C)(F)C(=O)CCCO 1458a_100000765255_100011215043 [0,2,0,0,0,0|2,0,0]=4 2253 B9R0.3 CC(C)(F)C(=O)NCCO 240690a_100000210304_100000765255 [0,2,0,0,0,0|2,0,0]=4 2254 B9R0.3 CC(C)(F)C(=O)NCCO 527a_100000210304_100000765255 [0,2,0,0,0,0|2,0,0]=4 2255 B9R0.3 CC(C)(O)C(=O)CCCO 1458a_100000242741_100011215043 [0,2,0,0,0,0|2,0,0]=4 2256 B9R0.3 CC(C)(O)C(=O)NCCO 240690a_100000210304_100000242741 [0,2,0,0,0,0|2,0,0]=4 2257 B9R0.3 CC(F)(F)C(=O)NCCO 240690a_100000210304_100000042251 [0,2,0,0,0,0|2,0,0]=4 2258 B9R0.3 CC(F)(F)C(=O)NCCO 527a_100000210304_100000042251 [0,2,0,0,0,0|2,0,0]=4 2259 B9R0.3 O=C(CCCO)C(F)(F)F 1458a_100015355933_100011215043 [0,2,0,0,0,0|2,0,0]=4 2260 B9R0.3 O=C(NCCO)C(F)(F)F 240690a_100000210304_100015355933 [0,2,0,0,0,0|2,0,0]=4 2261 B9R0.3 O=C(NCCO)C(F)(F)F 527a_100000210304_100000210220 [0,2,0,0,0,0|2,0,0]=4 2262 B9R0.3 [2H]C([2H])([2H])C(=O)NCCO 240690a_100000210304_200015216371 [0,2,0,0,0,0|2,0,0]=4 2263 B9R0.3 [2H]C([2H])([2H])C(=O)NCCO 527a_100000210304_200015216371 [0,2,0,0,0,0|2,0,0]=4 2264 B9R0.7 CC(O)CCC(=O)C(C)C 1458a_100000210198_100012276601 [0,2,0,0,0,0|2,0,0]=4 2265 B9R0.7 CC(O)CCC(=O)C(C)F 1458a_100000062450_100012276601 [0,2,0,0,0,0|2,0,0]=4 2266 B9R0.7 CC(O)CCC(=O)C(O)O 1458a_100000233687_100012276601 [0,2,0,0,0,0|2,0,0]=4 2267 B9R0.7 CC(O)CCC(=O)[C@@H](C)O 1458a_100000717761_100012276601 [0,2,0,0,0,0|2,0,0]=4 2268 B9R0.7 CC(O)CCC(=O)[C@H](C)O 1458a_217856618621_100012276601 [0,2,0,0,0,0|2,0,0]=4 2269 B9R0.7 CC(O)CNC(=O)C(=O)N 240690a_100000210904_100011215815 [0,2,0,0,0,0|1,0,1]=4 2270 B9R0.7 CC(O)CNC(=O)C(C)C 11a_100000210904_100000210198 [0,2,0,0,0,0|2,0,0]=4 2271 B9R0.7 CC(O)CNC(=O)C(C)C 240690a_100000210904_100000210198 [0,2,0,0,0,0|2,0,0]=4 2272 B9R0.7 CC(O)CNC(=O)C(C)C 527a_100000210904_100000210198 [0,2,0,0,0,0|2,0,0]=4 2273 B9R0.7 CC(O)CNC(=O)C(C)F 11a_100000210904_100000062450 [0,2,0,0,0,0|2,0,0]=4 2274 B9R0.7 CC(O)CNC(=O)C(C)F 240690a_100000210904_100000062450 [0,2,0,0,0,0|2,0,0]=4 2275 B9R0.7 CC(O)CNC(=O)C(C)F 527a_100000210904_100000062450 [0,2,0,0,0,0|2,0,0]=4 2276 B9R0.7 CC(O)CNC(=O)C(F)F 11a_100000210904_100000210393 [0,2,0,0,0,0|2,0,0]=4 2277 B9R0.7 CC(O)CNC(=O)C(F)F 240690a_100000210904_100000210393 [0,2,0,0,0,0|2,0,0]=4 2278 B9R0.7 CC(O)CNC(=O)C(F)F 527a_100000210904_100000210393 [0,2,0,0,0,0|2,0,0]=4 2279 B9R0.7 CC(O)CNC(=O)C(O)O 240690a_100000210904_100000233687 [0,2,0,0,0,0|2,0,0]=4 2280 B9R0.7 CC(O)CNC(=O)[C@@H](C)O 240690a_100000210904_100000717761 [0,2,0,0,0,0|2,0,0]=4 2281 B9R0.7 CC(O)CNC(=O)[C@H](C)O 240690a_100000210904_217856618621 [0,2,0,0,0,0|2,0,0]=4 2282 B9R0.13 CC(C)C(CN)OCCO 34a_100000759067_100000211926 [0,2,0,0,0,0|1,0,1]=4 2283 B9R0.42 CC(C)C(=O)C[C@@H](C)CO 1458a_100000210198_100000059175 [0,2,0,0,0,0|2,0,0]=4 2284 B9R0.42 CC(C)C(=O)N[C@H](C)CO 240690a_100000737577_100000210198 [0,2,0,0,0,0|2,0,0]=4 2285 B9R0.42 CC(C)C(=O)N[C@H](C)CO 527a_100000737577_100000210198 [0,2,0,0,0,0|2,0,0]=4 2286 B9R0.42 CC(F)C(=O)C[C@@H](C)CO 1458a_100000062450_100000059175 [0,2,0,0,0,0|2,0,0]=4 2287 B9R0.42 CC(F)C(=O)N[C@H](C)CO 240690a_100000737577_100000062450 [0,2,0,0,0,0|2,0,0]=4 2288 B9R0.42 CC(F)C(=O)N[C@H](C)CO 527a_100000737577_100000062450 [0,2,0,0,0,0|2,0,0]=4 2289 B9R0.42 C[C@@H](CO)CC(=O)C(O)O 1458a_100000233687_100000059175 [0,2,0,0,0,0|2,0,0]=4 2290 B9R0.42 C[C@@H](CO)CC(=O)[C@@H](C)O 1458a_100000717761_100000059175 [0,2,0,0,0,0|2,0,0]=4 2291 B9R0.42 C[C@@H](CO)CC(=O)[C@H](C)O 1458a_217856618621_100000059175 [0,2,0,0,0,0|2,0,0]=4 2292 B9R0.42 C[C@H](CO)NC(=O)C(=O)N 240690a_100000737577_100011215815 [0,2,0,0,0,0|1,0,1]=4 2293 B9R0.42 C[C@H](CO)NC(=O)C(F)F 240690a_100000737577_100000210393 [0,2,0,0,0,0|2,0,0]=4 2294 B9R0.42 C[C@H](CO)NC(=O)C(F)F 527a_100000737577_100000210393 [0,2,0,0,0,0|2,0,0]=4 2295 B9R0.42 C[C@H](CO)NC(=O)C(O)O 240690a_100000737577_100000233687 [0,2,0,0,0,0|2,0,0]=4 2296 B9R0.42 C[C@H](CO)NC(=O)[C@@H](C)O 240690a_100000737577_100000717761 [0,2,0,0,0,0|2,0,0]=4 2297 B9R0.42 C[C@H](CO)NC(=O)[C@H](C)O 240690a_100000737577_217856618621 [0,2,0,0,0,0|2,0,0]=4 2298 B9R0.21 CC(C)(O)CNC(=O)CO 240690a_100000751335_100000210174 [0,2,0,0,0,0|2,0,0]=4 2299 B9R0.21 CC(C)(O)CNC(=O)CO 527a_100000751335_100000210174 [0,2,0,0,0,0|2,0,0]=4 2300 B9R0.21 CC(CN)OCC(C)(C)O 34a_100000210904_100000764493 [0,2,0,0,0,0|1,0,1]=4 2301 B9R0.21 CCC(=O)NCC(C)(C)O 1626a_100000751335_100000210414 [0,2,0,0,0,0|2,0,0]=4 2302 B9R0.21 CCC(=O)NCC(C)(C)O 240690a_100000751335_100000210414 [0,2,0,0,0,0|2,0,0]=4 2303 B9R0.21 CCC(=O)NCC(C)(C)O 527a_100000751335_100000210414 [0,2,0,0,0,0|2,0,0]=4 2304 B9R0.43 CC(O)COC(CN)CN 34a_100000031598_100011218427 [0,2,0,0,0,0|1,0,1]=4 2305 B9R0.43 C[C@@H](O)COC(CN)CN 34a_100000031598_100009817552 [0,2,0,0,0,0|1,0,1]=4 2306 B9R0.26 C=C[C@@H](CO)NC(=O)CC 240690a_100016989147_100000210414 [0,2,0,0,0,0|2,0,0]=4 2307 B9R0.26 C=C[C@@H](CO)NC(=O)CC 527a_100016989147_100000210414 [0,2,0,0,0,0|2,0,0]=4 2308 B9R0.26 C=C[C@@H](CO)NC(=O)CO 240690a_100016989147_100000210174 [0,2,0,0,0,0|2,0,0]=4 2309 B9R0.26 C=C[C@@H](CO)NC(=O)CO 527a_100016989147_100000210174 [0,2,0,0,0,0|2,0,0]=4 2310 B9R0.26 CC(CO)OC(CN)CN 34a_100000031598_100012180447 [0,2,0,0,0,0|1,0,1]=4 2311 B9R0.26 CCC(=O)NC(CO)CO 240690a_100000759517_100000210414 [0,2,0,0,0,0|2,0,0]=4 2312 B9R0.26 CCC(=O)NC(CO)CO 527a_100000759517_100000210414 [0,2,0,0,0,0|2,0,0]=4 2313 B9R0.26 CCC(=O)N[C@@H](CC)CO 240690a_100000709445_100000210414 [0,2,0,0,0,0|2,0,0]=4 2314 B9R0.26 CCC(=O)N[C@@H](CC)CO 527a_100000709445_100000210414 [0,2,0,0,0,0|2,0,0]=4 2315 B9R0.26 CC[C@@H](CO)NC(=O)CO 240690a_100000709445_100000210174 [0,2,0,0,0,0|2,0,0]=4 2316 B9R0.26 CC[C@@H](CO)NC(=O)CO 527a_100000709445_100000210174 [0,2,0,0,0,0|2,0,0]=4 2317 B9R0.26 O=C(CO)NC(CO)CO 240690a_100000759517_100000210174 [0,2,0,0,0,0|2,0,0]=4 2318 B9R0.26 O=C(CO)NC(CO)CO 527a_100000759517_100000210174 [0,2,0,0,0,0|2,0,0]=4 2319 B9R0.22 CC(C)(CO)NC(=O)CO 240690a_100000210608_100000210174 [0,2,0,0,0,0|2,0,0]=4 2320 B9R0.22 CC(C)(CO)NC(=O)CO 527a_100020618417_100000210174 [0,2,0,0,0,0|2,0,0]=4 2321 B9R0.22 CCC(=O)NC(C)(C)CO 240690a_100000210608_100000210414 [0,2,0,0,0,0|2,0,0]=4 2322 B9R0.22 CCC(=O)NC(C)(C)CO 527a_100020618417_100000210414 [0,2,0,0,0,0|2,0,0]=4 2323 B7R1.22 CCC(=O)C1CC1 1458a_100000210395_100000210202 [1,0,0,1,0,0|2,0,0]=4 2324 B7R1.22 CCC(=O)C1CO1 1458a_100000701028_100000210202 [1,0,0,1,0,0|1,0,0]=3 2325 B7R1.22 CNC(=O)C1CO1 11a_106832991635_100000701028 [1,0,0,1,0,0|2,0,0]=4 2326 B7R1.22 CNC(=O)C1CO1 1626a_100102657272_100000701028 [1,0,0,1,0,0|2,0,0]=4 2327 B7R1.22 CNC(=O)C1CO1 240690a_100102657272_100000701028 [1,0,0,1,0,0|2,0,0]=4 2328 B7R1.22 CNC(=O)C1CO1 527a_100102657272_100000701028 [1,0,0,1,0,0|2,0,0]=4 2329 B7R1.22 O=C(CF)C1CC1 1458a_100000210395_100015361967 [1,0,0,1,0,0|2,0,0]=4 2330 B7R1.22 O=C(CF)C1CO1 1458a_100000701028_100015361967 [1,0,0,1,0,0|1,0,0]=3 2331 B7R1.12 CC(=O)C1CC1C 1458a_100000211227_200000210301 [1,0,0,1,0,0|2,0,0]=4 2332 B7R1.12 CC(=O)[C@@H]1C[C@@H]1F 1458a_100015396687_200000210301 [1,0,0,1,0,0|2,0,0]=4 2333 B7R1.12 CC1CC1C(=O)[13CH3] 1458a_100000211227_200025704644 [1,0,0,1,0,0|2,0,0]=4 2334 B7R1.12 [13CH3]C(=O)[C@@H]1C[C@@H]1F 1458a_100015396687_200025704644 [1,0,0,1,0,0|2,0,0]=4 2335 B7R1.18 CC(=O)C1CCC1 1458a_100000070787_100000749161 [1,0,0,1,0,0|2,0,0]=4 2336 B7R1.18 CC(=O)C1CCC1 1458a_100000209988_200000210301 [1,0,0,1,0,0|2,0,0]=4 2337 B7R1.18 CC(=O)C1CCO1 1458a_100000089072_200000210301 [1,0,0,1,0,0|1,0,0]=3 2338 B7R1.18 CC(=O)N1CCC1 11a_100000754969_100015343762 [1,0,0,1,0,0|2,0,0]=4 2339 B7R1.18 CC(=O)N1CCC1 240690a_100000754969_100015343762 [1,0,0,1,0,0|2,0,0]=4 2340 B7R1.18 CC(=O)N1CCC1 527a_100000754969_100103153847 [1,0,0,1,0,0|2,0,0]=4 2341 B7R1.18 [13CH3]C(=O)C1CCC1 1458a_100000209988_200025704644 [1,0,0,1,0,0|2,0,0]=4 2342 B7R1.18 [13CH3]C(=O)C1CCO1 1458a_100000089072_200025704644 [1,0,0,1,0,0|1,0,0]=3 2343 B7R1.20 CC(=O)CC1CC1 1458a_100000070787_100000742324 [1,0,0,1,0,0|2,0,0]=4 2344 B7R1.20 CC(=O)CC1CC1 1458a_100000738066_200000210301 [1,0,0,1,0,0|2,0,0]=4 2345 B7R1.20 CC(=O)CC1CO1 1458a_100000070787_100011216344 [1,0,0,1,0,0|1,0,0]=3 2346 B7R1.20 CC(=O)CC1CS1 1458a_100000070787_100000031435 [1,0,0,1,0,0|1,1,0]=4 2347 B7R1.20 CC(=O)C[C@@H]1CO1 1458a_100000070787_100000745022 [1,0,0,1,0,0|1,0,0]=3 2348 B7R1.20 CC(=O)NC1CC1 1626a_100000212008_100015343762 [1,0,0,1,0,0|2,0,0]=4 2349 B7R1.20 CC(=O)NC1CC1 240690a_100000212008_100015343762 [1,0,0,1,0,0|2,0,0]=4 2350 B7R1.20 CC(=O)NC1CC1 527a_100000212008_100103153847 [1,0,0,1,0,0|2,0,0]=4 2351 B7R1.20 [13CH3]C(=O)CC1CC1 1458a_100000738066_200025704644 [1,0,0,1,0,0|2,0,0]=4 2352 B9R1.7 COCC1CCC(=O)N1 34a_100000737831_200000210301 [0,1,0,1,0,0|2,0,0]=4 2353 B9R1.7 COCC1CNC(=O)O1 34a_100011315639_200000210301 [0,1,0,1,0,0|2,0,0]=4 2354 B9R1.7 COCC1CNC(=O)O1 34a_100138415774_100000181169 [0,1,0,1,0,0|2,0,0]=4 2355 B9R1.7 COCC1COC(=O)O1 34a_100138415774_100000073702 [0,1,0,1,0,0|2,0,0]=4 2356 B9R1.7 [13CH3]OCC1CCC(=O)N1 34a_100000737831_200025704644 [0,1,0,1,0,0|2,0,0]=4 2357 B9R1.7 [13CH3]OCC1CNC(=O)O1 34a_100011315639_200025704644 [0,1,0,1,0,0|2,0,0]=4 2358 B9R1.8 CNC[C@H]1COCCO1 2230a_100010981119_200000210301 [0,1,0,1,0,0|1,0,1]=4 2359 B9R1.8 CNC[C@H]1COCCO1 34a_100010981119_200000210301 [0,1,0,1,0,0|1,0,1]=4 2360 B9R1.8 [13CH3]NC[C@H]1COCCO1 2230a_100010981119_200025704644 [0,1,0,1,0,0|1,0,1]=4 2361 B9R1.8 [13CH3]NC[C@H]1COCCO1 34a_100010981119_200025704644 [0,1,0,1,0,0|1,0,1]=4 2362 B9R1.15 CNC1CCCCC1=O 34a_100102657272_100000754470 [0,1,0,1,0,0|2,0,0]=4 2363 B9R1.15 CNC1CCCCC1=O 7a_106832991635_100000204591 [0,1,0,1,0,0|2,0,0]=4 2364 B9R1.15 CNC1CCCNC1=O 2230a_100000747585_200000210301 [0,1,0,1,0,0|2,0,0]=4 2365 B9R1.15 CNC1CCCNC1=O 2230a_106832991635_100000687798 [0,1,0,1,0,0|2,0,0]=4 2366 B9R1.15 CNC1CCCNC1=O 34a_100000747585_200000210301 [0,1,0,1,0,0|2,0,0]=4 2367 B9R1.15 CNC1CCCNC1=O 34a_100102657272_100000687798 [0,1,0,1,0,0|2,0,0]=4 2368 B9R1.15 CNC1CCCNC1=O 7a_106832991635_100000687798 [0,1,0,1,0,0|2,0,0]=4 2369 B9R1.15 [13CH3]NC1CCCNC1=O 2230a_100000747585_200025704644 [0,1,0,1,0,0|2,0,0]=4 2370 B9R1.15 [13CH3]NC1CCCNC1=O 34a_100000747585_200025704644 [0,1,0,1,0,0|2,0,0]=4 2371 B9R1.27 CNC1C(=O)COC1=O 34a_100102657272_100000032967 [0,1,0,1,0,0|0,0,2]=4 2372 B9R1.48 CN1CCCNC(=O)C1 2230a_100015190381_200000210301 [0,1,0,1,0,0|2,0,0]=4 2373 B9R1.48 [13CH3]N1CCCNC(=O)C1 2230a_100015190381_200025704644 [0,1,0,1,0,0|2,0,0]=4 2374 B9R1.73 C#CCC(=O)C1CCO1 1458a_100000089072_100000184674 [0,1,0,1,0,0|2,0,0]=4 2375 B9R1.73 C=CCC(=O)C1CCO1 1458a_100000089072_100000210623 [0,1,0,1,0,0|2,0,0]=4 2376 B9R1.73 CCCC(=O)C1CCO1 1458a_100000089072_100000210303 [0,1,0,1,0,0|2,0,0]=4 2377 B9R1.73 CCNC(=O)C1CCO1 11a_100015525214_100000089072 [0,1,0,1,0,0|2,0,0]=4 2378 B9R1.73 CCNC(=O)C1CCO1 240690a_100015525214_100000089072 [0,1,0,1,0,0|2,0,0]=4 2379 B9R1.73 CCNC(=O)C1CCO1 527a_100015525214_100000089072 [0,1,0,1,0,0|2,0,0]=4 2380 B9R1.73 CNCC(=O)C1CCC1 2230a_106832991635_100000686122 [0,1,0,1,0,0|2,0,0]=4 2381 B9R1.73 CNCC(=O)C1CCC1 34a_100102657272_100000686122 [0,1,0,1,0,0|2,0,0]=4 2382 B9R1.73 CNCC(=O)C1CCC1 7a_106832991635_100000686122 [0,1,0,1,0,0|2,0,0]=4 2383 B9R1.73 CNCC(=O)N1CCC1 2230a_106832991635_100000185095 [0,1,0,1,0,0|2,0,0]=4 2384 B9R1.73 CNCC(=O)N1CCC1 34a_100102657272_100000185095 [0,1,0,1,0,0|2,0,0]=4 2385 B9R1.73 CNCC(=O)N1CCC1 7a_106832991635_100000185095 [0,1,0,1,0,0|2,0,0]=4 2386 B9R1.73 CNNC(=O)C1CCO1 22a_100016993582_100000089072 [0,1,0,1,0,0|2,0,0]=4 2387 B9R1.73 N#CCC(=O)C1CCO1 1458a_100000089072_100011214920 [0,1,0,1,0,0|1,0,1]=4 2388 B9R1.73 O=C(CCF)C1CCO1 1458a_100000089072_100011217306 [0,1,0,1,0,0|2,0,0]=4 2389 B9R1.73 O=C(CCO)C1CCO1 1458a_100000089072_100000211926 [0,1,0,1,0,0|2,0,0]=4 2390 B9R1.75 C#CCC(=O)CC1CO1 1458a_100011220946_100011216344 [0,1,0,1,0,0|2,0,0]=4 2391 B9R1.75 C#CCC(=O)C[C@@H]1CO1 1458a_100011220946_100000745022 [0,1,0,1,0,0|2,0,0]=4 2392 B9R1.75 C=CCC(=O)CC1CO1 1458a_100000210193_100011216344 [0,1,0,1,0,0|2,0,0]=4 2393 B9R1.75 C=CCC(=O)C[C@@H]1CO1 1458a_100000210193_100000745022 [0,1,0,1,0,0|2,0,0]=4 2394 B9R1.75 CCCC(=O)CC1CO1 1458a_100000211992_100011216344 [0,1,0,1,0,0|2,0,0]=4 2395 B9R1.75 CCCC(=O)C[C@@H]1CO1 1458a_100000211992_100000745022 [0,1,0,1,0,0|2,0,0]=4 2396 B9R1.75 CNCC(=O)NC1CC1 2230a_100000702991_200000210301 [0,1,0,1,0,0|2,0,0]=4 2397 B9R1.75 CNCC(=O)NC1CC1 2230a_106832991635_100000182950 [0,1,0,1,0,0|2,0,0]=4 2398 B9R1.75 CNCC(=O)NC1CC1 34a_100102657272_100000182950 [0,1,0,1,0,0|2,0,0]=4 2399 B9R1.75 CNCC(=O)NC1CC1 7a_106832991635_100000182950 [0,1,0,1,0,0|2,0,0]=4 2400 B9R1.75 COCC(=O)CC1CO1 1458a_100000210968_100011216344 [0,1,0,1,0,0|2,0,0]=4 2401 B9R1.75 COCC(=O)C[C@@H]1CO1 1458a_100000210968_100000745022 [0,1,0,1,0,0|2,0,0]=4 2402 B9R1.75 CSCC(=O)CC1CO1 1458a_100000184570_100011216344 [0,1,0,1,0,0|2,0,0]=4 2403 B9R1.75 CSCC(=O)C[C@@H]1CO1 1458a_100000184570_100000745022 [0,1,0,1,0,0|2,0,0]=4 2404 B9R1.75 N#CCC(=O)CC1CO1 1458a_100051588842_100011216344 [0,1,0,1,0,0|1,0,1]=4 2405 B9R1.75 N#CCC(=O)C[C@@H]1CO1 1458a_100051588842_100000745022 [0,1,0,1,0,0|1,0,1]=4 2406 B9R1.75 O=C(CCO)CC1CO1 1458a_100011216618_100011216344 [0,1,0,1,0,0|2,0,0]=4 2407 B9R1.75 O=C(CCO)C[C@@H]1CO1 1458a_100011216618_100000745022 [0,1,0,1,0,0|2,0,0]=4 2408 B9R1.75 [13CH3]NCC(=O)NC1CC1 2230a_100000702991_200025704644 [0,1,0,1,0,0|2,0,0]=4 2409 B9R1.100 O=C(CCCO)C1CC1 1458a_100000210395_100011215043 [0,1,0,1,0,0|2,0,0]=4 2410 B9R1.100 O=C(CCCO)C1CO1 1458a_100000701028_100011215043 [0,1,0,1,0,0|2,0,0]=4 2411 B9R1.100 O=C(NCCO)C1CC1 240690a_100000210304_100000210395 [0,1,0,1,0,0|2,0,0]=4 2412 B9R1.100 O=C(NCCO)C1CC1 527a_100000210304_100000210395 [0,1,0,1,0,0|2,0,0]=4 2413 B9R1.100 O=C(NCCO)C1CO1 240690a_100000210304_100000701028 [0,1,0,1,0,0|2,0,0]=4 2414 B9R1.100 O=C(NCCO)C1CO1 527a_100000210304_100000701028 [0,1,0,1,0,0|2,0,0]=4 2415 B9R1.134 CC1(OCCO1)CN[13CH3] 2230a_100000691740_200025704644 [0,1,0,1,0,0|1,0,1]=4 2416 B9R1.134 CNCC1(OCCO1)C 2230a_100000691740_200000210301 [0,1,0,1,0,0|1,0,1]=4 2417 B9R1.11 CCC(=O)C1=COCC1 1458a_100000750620_100000210202 [0,1,0,1,0,0|2,0,0]=4 2418 B9R1.11 CCC(=O)C1CCOC1 1458a_100000210414_100000690089 [0,1,0,1,0,0|2,0,0]=4 2419 B9R1.11 CCC(=O)C1CCOC1 1458a_100011219752_100000210202 [0,1,0,1,0,0|2,0,0]=4 2420 B9R1.11 CCC(=O)[C@@H]1CCCO1 1458a_100000686382_100000210202 [0,1,0,1,0,0|2,0,0]=4 2421 B9R1.11 O=C(CF)C1=COCC1 1458a_100000750620_100015361967 [0,1,0,1,0,0|2,0,0]=4 2422 B9R1.11 O=C(CF)C1CCOC1 1458a_100011219752_100015361967 [0,1,0,1,0,0|2,0,0]=4 2423 B9R1.11 O=C(CF)[C@@H]1CCCO1 1458a_100000686382_100015361967 [0,1,0,1,0,0|2,0,0]=4 2424 B9R1.11 O=C(CO)C1CCOC1 1458a_100000210174_100000690089 [0,1,0,1,0,0|2,0,0]=4 2425 B9R1.82 CCC(=O)N1CC(C1)O 11a_100000749847_100000210414 [0,1,0,1,0,0|2,0,0]=4 2426 B9R1.82 CCC(=O)N1CC(C1)O 240690a_100000749847_100000210414 [0,1,0,1,0,0|2,0,0]=4 2427 B9R1.82 CCC(=O)N1CC(C1)O 527a_100000749847_100000210414 [0,1,0,1,0,0|2,0,0]=4 2428 B9R1.82 CCC(=O)[C@H]1C[C@H](C1)O 1458a_100015266633_100000210202 [0,1,0,1,0,0|2,0,0]=4 2429 B9R1.82 O=C(CF)[C@H]1C[C@H](C1)O 1458a_100015266633_100015361967 [0,1,0,1,0,0|2,0,0]=4 2430 B9R1.82 O=C(CO)N1CC(C1)O 240690a_100000749847_100000210174 [0,1,0,1,0,0|2,0,0]=4 2431 B9R1.82 O=C(CO)N1CC(C1)O 527a_100000749847_100000210174 [0,1,0,1,0,0|2,0,0]=4 2432 B9R1.1 COC1CCC(=O)CC1 34a_100000764474_200000210301 [0,1,0,1,0,0|2,0,0]=4 2433 B9R1.1 COC1CCC(=O)CC1 7a_100000764474_200000210301 [0,1,0,1,0,0|2,0,0]=4 2434 B9R1.1 COC1CCC(=O)NC1 34a_100000079199_200000210301 [0,1,0,1,0,0|2,0,0]=4 2435 B9R1.1 [13CH3]OC1CCC(=O)CC1 34a_100000764474_200025704644 [0,1,0,1,0,0|2,0,0]=4 2436 B9R1.1 [13CH3]OC1CCC(=O)CC1 7a_100000764474_200025704644 [0,1,0,1,0,0|2,0,0]=4 2437 B9R1.1 [13CH3]OC1CCC(=O)NC1 34a_100000079199_200025704644 [0,1,0,1,0,0|2,0,0]=4 2438 B9R1.17 OCCOCC1CNC1 34a_100016987283_100000211926 [0,1,0,1,0,0|1,0,1]=4 2439 B9R1.39 CCCOC1CCC1=O 34a_100000210258_100009892977 [0,1,0,1,0,0|2,0,0]=4 2440 B9R1.39 NCCOC1CCC1=O 34a_100000210304_100009892977 [0,1,0,1,0,0|2,0,0]=4 2441 B9R1.39 O=C1CCC1NCCO 34a_100016990907_100009892977 [0,1,0,1,0,0|2,0,0]=4 2442 B9R1.39 O=C1CCC1OCCBr 34a_100000211926_100009892977 [0,1,0,1,0,0|2,0,0]=4 2443 B9R1.39 O=C1CCC1SCCO 62a_100000211926_100009892977 [0,1,0,1,0,0|1,1,0]=4 2444 B9R1.39 O=C1CCC1SCCO 62a_100009892977_100000211926 [0,1,0,1,0,0|1,1,0]=4 2445 B9R1.79 CC(CN)OC1COC1 34a_100000210904_100009818527 [0,1,0,1,0,0|1,0,1]=4 2446 B9R1.79 CCC(=O)CC1CCO1 1458a_100000210414_100000103362 [0,1,0,1,0,0|2,0,0]=4 2447 B9R1.79 CCC(=O)CC1COC1 1458a_100000210414_100010264016 [0,1,0,1,0,0|2,0,0]=4 2448 B9R1.79 CCC(=O)CC1COC1 1458a_100000687760_100000210202 [0,1,0,1,0,0|2,0,0]=4 2449 B9R1.79 CCC(=O)NC1COC1 11a_100016991112_100000210414 [0,1,0,1,0,0|2,0,0]=4 2450 B9R1.79 CCC(=O)NC1COC1 1626a_100016991112_100000210414 [0,1,0,1,0,0|2,0,0]=4 2451 B9R1.79 CCC(=O)NC1COC1 240690a_100016991112_100000210414 [0,1,0,1,0,0|2,0,0]=4 2452 B9R1.79 CCC(=O)NC1COC1 527a_100016991112_100000210414 [0,1,0,1,0,0|2,0,0]=4 2453 B9R1.79 O=C(CF)CC1COC1 1458a_100000687760_100015361967 [0,1,0,1,0,0|2,0,0]=4 2454 B9R1.79 O=C(CO)CC1CCO1 1458a_100000210174_100000103362 [0,1,0,1,0,0|2,0,0]=4 2455 B9R1.79 O=C(CO)CC1COC1 1458a_100000210174_100010264016 [0,1,0,1,0,0|2,0,0]=4 2456 B9R1.79 O=C(CO)NC1COC1 240690a_100016991112_100000210174 [0,1,0,1,0,0|2,0,0]=4 2457 B9R1.79 O=C(CO)NC1COC1 527a_100016991112_100000210174 [0,1,0,1,0,0|2,0,0]=4 2458 B9R1.80 CC(CN)OCC1CO1 34a_100000210904_102125554688 [0,1,0,1,0,0|1,0,1]=4 2459 B9R1.80 CCC(=O)CCC1CO1 1458a_100000210414_100000732470 [0,1,0,1,0,0|2,0,0]=4 2460 B9R1.80 CCC(=O)COC1CC1 34a_100000725409_100000211595 [0,1,0,1,0,0|2,0,0]=4 2461 B9R1.80 O=C(CO)CCC1CO1 1458a_100000210174_100000732470 [0,1,0,1,0,0|2,0,0]=4 2462 B9R1.110 CC(C)C(=O)C1CCO1 1458a_100000089072_100000210206 [0,1,0,1,0,0|2,0,0]=4 2463 B9R1.112 CC(C)C(=O)CC1CO1 1458a_100000210198_100011216344 [0,1,0,1,0,0|2,0,0]=4 2464 B9R1.112 CC(C)C(=O)C[C@@H]1CO1 1458a_100000210198_100000745022 [0,1,0,1,0,0|2,0,0]=4 2465 B9R1.112 CC(F)C(=O)CC1CO1 1458a_100000062450_100011216344 [0,1,0,1,0,0|2,0,0]=4 2466 B9R1.112 CC(F)C(=O)C[C@@H]1CO1 1458a_100000062450_100000745022 [0,1,0,1,0,0|2,0,0]=4 2467 B9R1.112 C[C@@H](O)C(=O)CC1CO1 1458a_100000717761_100011216344 [0,1,0,1,0,0|2,0,0]=4 2468 B9R1.112 C[C@@H](O)C(=O)C[C@@H]1CO1 1458a_100000717761_100000745022 [0,1,0,1,0,0|2,0,0]=4 2469 B9R1.112 C[C@H](O)C(=O)CC1CO1 1458a_217856618621_100011216344 [0,1,0,1,0,0|2,0,0]=4 2470 B9R1.112 C[C@H](O)C(=O)C[C@@H]1CO1 1458a_217856618621_100000745022 [0,1,0,1,0,0|2,0,0]=4 2471 B9R1.112 O=C(CC1CO1)C(O)O 1458a_100000233687_100011216344 [0,1,0,1,0,0|2,0,0]=4 2472 B9R1.112 O=C(C[C@@H]1CO1)C(O)O 1458a_100000233687_100000745022 [0,1,0,1,0,0|2,0,0]=4 2473 B9R1.113 CC1(CO1)CC(=O)CO 1458a_100000210174_100000760498 [0,1,0,1,0,0|2,0,0]=4 2474 B9R1.113 CCC(=O)CC1(CO1)C 1458a_100000210414_100000760498 [0,1,0,1,0,0|2,0,0]=4