0 B7R0.3 C#CC(=O)CCC=C 1458a_100000211873_100000754431 [0,0,0,0,0,0|1,0,2]=3 1 B7R0.3 C#CC(C)SCC=C 62a_200000035995_100000210623 [0,0,0,0,0,0|1,0,3]=4 2 B7R0.3 C#CCCC(=O)CC 1458a_100000210414_100000753159 [0,0,0,0,0,0|1,0,2]=3 3 B7R0.3 C#CCCC(=O)CC 1458a_100000692101_100000210202 [0,0,0,0,0,0|1,0,2]=3 4 B7R0.3 C#CCCC(=O)CF 1458a_100000692101_100015361967 [0,0,0,0,0,0|2,0,2]=4 5 B7R0.3 C#CCCC(=O)CO 1458a_100000210174_100000753159 [0,0,0,0,0,0|2,0,2]=4 6 B7R0.3 C#CCCC(=O)NC 11a_106832991635_100000692101 [0,0,0,0,0,0|2,0,2]=4 7 B7R0.3 C#CCCC(=O)NC 1626a_100102657272_100000692101 [0,0,0,0,0,0|2,0,2]=4 8 B7R0.3 C#CCCC(=O)NC 240690a_100102657272_100000692101 [0,0,0,0,0,0|2,0,2]=4 9 B7R0.3 C#CCCC(=O)NC 527a_100102657272_100000692101 [0,0,0,0,0,0|2,0,2]=4 10 B7R0.3 C#CCNC(=O)CC 11a_100000212058_100000210414 [0,0,0,0,0,0|1,0,2]=3 11 B7R0.3 C#CCNC(=O)CC 1626a_100000212058_100000210414 [0,0,0,0,0,0|1,0,2]=3 12 B7R0.3 C#CCNC(=O)CC 240690a_100000212058_100000210414 [0,0,0,0,0,0|1,0,2]=3 13 B7R0.3 C#CCNC(=O)CC 527a_100000212058_100000210414 [0,0,0,0,0,0|1,0,2]=3 14 B7R0.3 C#CCNC(=O)CO 240690a_100000212058_100000210174 [0,0,0,0,0,0|2,0,2]=4 15 B7R0.3 C#CCNC(=O)CO 527a_100000212058_100000210174 [0,0,0,0,0,0|2,0,2]=4 16 B7R0.3 C#CCNC(=O)NC 2708a_100000212058_106832991635 [0,0,0,0,0,0|2,0,2]=4 17 B7R0.3 C#CCNC(=O)NC 2708a_100102657272_100000212058 [0,0,0,0,0,0|2,0,2]=4 18 B7R0.3 C#CCNC(=O)NC 273464a_100000212058_100102657272 [0,0,0,0,0,0|2,0,2]=4 19 B7R0.3 C#CCNC(=O)NC 273464a_100102657272_100000212058 [0,0,0,0,0,0|2,0,2]=4 20 B7R0.3 C#CCNC(=O)NC 512a_100000212058_100102657272 [0,0,0,0,0,0|2,0,2]=4 21 B7R0.3 C#CCNC(=O)NC 512a_106832991638_100000212058 [0,0,0,0,0,0|2,0,2]=4 22 B7R0.3 C#CCSC(C)CC 62a_100000038162_100000758301 [0,0,0,0,0,0|1,0,3]=4 23 B7R0.3 C/C=C/CC(=O)CC 1458a_100000210414_100102629194 [0,0,0,0,0,0|1,0,2]=3 24 B7R0.3 C/C=C/CC(=O)CO 1458a_100000210174_100102629194 [0,0,0,0,0,0|2,0,2]=4 25 B7R0.3 C=CC=CC(=O)CC 1458a_100016291481_100000210202 [0,0,0,0,0,0|1,0,1]=2 26 B7R0.3 C=CC=CC(=O)CF 1458a_100016291481_100015361967 [0,0,0,0,0,0|2,0,1]=3 27 B7R0.3 C=CC=CC(=O)NC 1626a_100102657272_100016291481 [0,0,0,0,0,0|2,0,1]=3 28 B7R0.3 C=CCCC(=O)C=C 1458a_100000185746_100000754431 [0,0,0,0,0,0|1,0,2]=3 29 B7R0.3 C=CCCC(=O)CC 1458a_100000210414_100000754431 [0,0,0,0,0,0|1,0,0]=1 30 B7R0.3 C=CCCC(=O)CC 1458a_100000749702_100000210202 [0,0,0,0,0,0|1,0,0]=1 31 B7R0.3 C=CCCC(=O)CF 1458a_100000749702_100015361967 [0,0,0,0,0,0|2,0,0]=2 32 B7R0.3 C=CCCC(=O)CO 1458a_100000210174_100000754431 [0,0,0,0,0,0|2,0,0]=2 33 B7R0.3 C=CCCC(=O)NC 11a_106832991635_100000749702 [0,0,0,0,0,0|2,0,0]=2 34 B7R0.3 C=CCCC(=O)NC 1626a_100102657272_100000749702 [0,0,0,0,0,0|2,0,0]=2 35 B7R0.3 C=CCCC(=O)NC 240690a_100102657272_100000749702 [0,0,0,0,0,0|2,0,0]=2 36 B7R0.3 C=CCCC(=O)NC 527a_100102657272_100000749702 [0,0,0,0,0,0|2,0,0]=2 37 B7R0.3 C=CCCC(C)NC 270004a_106832991635_100000762624 [0,0,0,0,0,0|3,0,1]=4 38 B7R0.3 C=CCCC(C)OC 34a_100000765329_200000210301 [0,0,0,0,0,0|3,0,1]=4 39 B7R0.3 C=CCCC(C)OC 7a_100000765329_200000210301 [0,0,0,0,0,0|3,0,1]=4 40 B7R0.3 C=CCCC(C)O[13CH3] 34a_100000765329_200025704644 [0,0,0,0,0,0|3,0,1]=4 41 B7R0.3 C=CCCC(C)O[13CH3] 7a_100000765329_200025704644 [0,0,0,0,0,0|3,0,1]=4 42 B7R0.3 C=CCCN(C)CC 2230a_100000225621_100000754431 [0,0,0,0,0,0|3,0,0]=3 43 B7R0.3 C=CCCN(C)CC 2230a_100020639649_100000210202 [0,0,0,0,0,0|3,0,0]=3 44 B7R0.3 C=CCCN(C)CC 269982a_100000225621_100000754431 [0,0,0,0,0,0|3,0,0]=3 45 B7R0.3 C=CCCN(C)CC 269982a_100020639649_100000204670 [0,0,0,0,0,0|3,0,0]=3 46 B7R0.3 C=CCCN(C)CF 269982a_100020639649_100015361967 [0,0,0,0,0,0|4,0,0]=4 47 B7R0.3 C=CCNC(=O)C=C 1626a_100020586998_100000185746 [0,0,0,0,0,0|1,0,2]=3 48 B7R0.3 C=CCNC(=O)C=C 240690a_100020586998_200121576911 [0,0,0,0,0,0|1,0,2]=3 49 B7R0.3 C=CCNC(=O)CC 1626a_100020586998_100000210414 [0,0,0,0,0,0|1,0,0]=1 50 B7R0.3 C=CCNC(=O)CC 240690a_100020586998_100000210414 [0,0,0,0,0,0|1,0,0]=1 51 B7R0.3 C=CCNC(=O)CC 527a_100020586998_100000210414 [0,0,0,0,0,0|1,0,0]=1 52 B7R0.3 C=CCNC(=O)CO 240690a_100020586998_100000210174 [0,0,0,0,0,0|2,0,0]=2 53 B7R0.3 C=CCNC(=O)CO 527a_100020586998_100000210174 [0,0,0,0,0,0|2,0,0]=2 54 B7R0.3 C=CCNC(=O)NC 2708a_100102657272_100020586998 [0,0,0,0,0,0|2,0,0]=2 55 B7R0.3 C=CCNC(=O)NC 273464a_100020586998_100102657272 [0,0,0,0,0,0|2,0,0]=2 56 B7R0.3 C=CCNC(=O)NC 273464a_100102657272_100020586998 [0,0,0,0,0,0|2,0,0]=2 57 B7R0.3 C=CCNC(=O)NC 512a_100020586998_100102657272 [0,0,0,0,0,0|2,0,0]=2 58 B7R0.3 C=CCNC(=O)NC 512a_106832991638_100020586998 [0,0,0,0,0,0|2,0,0]=2 59 B7R0.3 C=CCNC(C)CC 2230a_100000209981_100000210623 [0,0,0,0,0,0|2,0,1]=3 60 B7R0.3 C=CCNC(C)CC 2230a_100020586998_100000758301 [0,0,0,0,0,0|2,0,1]=3 61 B7R0.3 C=CCNC(C)CO 2230a_100020586998_100012180447 [0,0,0,0,0,0|3,0,1]=4 62 B7R0.3 C=CCN[C@H](C)CO 2230a_100000737577_100000210623 [0,0,0,0,0,0|3,0,1]=4 63 B7R0.3 C=CCOC(C)CC 34a_200000210373_100011215416 [0,0,0,0,0,0|1,1,1]=3 64 B7R0.3 C=CCOC(C)CC 7a_100000210228_100015514636 [0,0,0,0,0,0|1,1,1]=3 65 B7R0.3 C=CCOC(C)CF 34a_100016041109_100015514636 [0,0,0,0,0,0|2,1,1]=4 66 B7R0.3 C=CCOC(C)CF 7a_100016041109_100015514636 [0,0,0,0,0,0|2,1,1]=4 67 B7R0.3 C=CCOC(C)CN 34a_100000210904_100015514636 [0,0,0,0,0,0|2,1,1]=4 68 B7R0.3 C=CCOC(C)CO 34a_200000210373_100012180447 [0,0,0,0,0,0|2,1,1]=4 69 B7R0.3 C=CCSC(C)C#N 62a_100000210623_100000703298 [0,0,0,0,0,0|2,0,2]=4 70 B7R0.3 C=CCSC(C)C#N 62a_100000703298_100000210623 [0,0,0,0,0,0|2,0,2]=4 71 B7R0.3 C=CCSC(C)C=C 62a_100011215867_100000210623 [0,0,0,0,0,0|1,0,3]=4 72 B7R0.3 C=CCSC(C)CC 62a_100000210623_100000758301 [0,0,0,0,0,0|1,0,1]=2 73 B7R0.3 C=CCSC(C)CC 62a_100000758301_100000210623 [0,0,0,0,0,0|1,0,1]=2 74 B7R0.3 C=CCSC(C)CO 62a_100012180447_100000210623 [0,0,0,0,0,0|2,0,1]=3 75 B7R0.3 C=CCSC(C)OC 62a_100000210623_100009879195 [0,0,0,0,0,0|2,0,1]=3 76 B7R0.3 C=CCSC(C)OC 62a_100009879195_100000210623 [0,0,0,0,0,0|2,0,1]=3 77 B7R0.3 C=CCSC(F)C#N 62a_100000210623_200000117898 [0,0,0,0,0,0|2,0,2]=4 78 B7R0.3 C=CCSC(F)C#N 62a_200000117898_100000210623 [0,0,0,0,0,0|2,0,2]=4 79 B7R0.3 C=CCS[C@H](C)CO 62a_100000210623_100016084084 [0,0,0,0,0,0|2,0,1]=3 80 B7R0.3 C=CCS[C@H](C)CO 62a_100016084084_100000210623 [0,0,0,0,0,0|2,0,1]=3 81 B7R0.3 CC#CCC(=O)CC 1458a_100000210414_100000748600 [0,0,0,0,0,0|1,0,3]=4 82 B7R0.3 CC(CO)SCC=O 62a_100012180447_200015260668 [0,0,0,0,0,0|3,0,1]=4 83 B7R0.3 CC=CCC(=O)CC 1458a_100000210414_100000070051 [0,0,0,0,0,0|1,0,2]=3 84 B7R0.3 CC=CCC(=O)CC 1458a_100121576822_100000210202 [0,0,0,0,0,0|1,0,2]=3 85 B7R0.3 CC=CCC(=O)CF 1458a_100121576822_100015361967 [0,0,0,0,0,0|2,0,2]=4 86 B7R0.3 CC=CCC(=O)CO 1458a_100000210174_100000070051 [0,0,0,0,0,0|2,0,2]=4 87 B7R0.3 CC=CCC(=O)NC 11a_106832991635_100121576822 [0,0,0,0,0,0|2,0,2]=4 88 B7R0.3 CC=CCC(=O)NC 1626a_100102657272_100121576822 [0,0,0,0,0,0|2,0,2]=4 89 B7R0.3 CC=CCC(=O)NC 240690a_100102657272_100121576822 [0,0,0,0,0,0|2,0,2]=4 90 B7R0.3 CC=CCC(=O)NC 527a_100102657272_100121576822 [0,0,0,0,0,0|2,0,2]=4 91 B7R0.3 CC=NNC(=O)CC 4a_100000183195_200000210099 [0,0,0,0,0,0|2,0,1]=3 92 B7R0.3 CCC#CC(=O)CC 1458a_100011827653_100000210202 [0,0,0,0,0,0|1,0,3]=4 93 B7R0.3 CCC(=O)C#CCO 1458a_100000049017_100000210202 [0,0,0,0,0,0|2,0,2]=4 94 B7R0.3 CCC(=O)C=COC 1458a_100016268678_100000210202 [0,0,0,0,0,0|2,0,2]=4 95 B7R0.3 CCC(=O)CCC#N 1458a_100000210414_100011215226 [0,0,0,0,0,0|2,0,1]=3 96 B7R0.3 CCC(=O)CCC#N 1458a_100011934036_100000210202 [0,0,0,0,0,0|2,0,1]=3 97 B7R0.3 CCC(=O)CCCF 1458a_100000210414_100011934791 [0,0,0,0,0,0|2,0,1]=3 98 B7R0.3 CCC(=O)CCCO 1458a_100000210414_100011215043 [0,0,0,0,0,0|2,0,1]=3 99 B7R0.3 CCC(=O)CCOC 1458a_100000210414_100000233755 [0,0,0,0,0,0|2,0,1]=3 100 B7R0.3 CCC(=O)CCOC 1458a_100000749529_100000210202 [0,0,0,0,0,0|2,0,1]=3 101 B7R0.3 CCC(=O)CCSC 1458a_100000174002_100000210202 [0,0,0,0,0,0|2,0,1]=3 102 B7R0.3 CCC(=O)CCSC 1458a_100000210414_100000751147 [0,0,0,0,0,0|2,0,1]=3 103 B7R0.3 CCC(=O)COCF 34a_100000725409_100015361967 [0,0,0,0,0,0|3,0,1]=4 104 B7R0.3 CCC(=O)CSCF 62a_100000747405_100015361967 [0,0,0,0,0,0|3,0,1]=4 105 B7R0.3 CCC(=O)CSCF 62a_100015361967_100000747405 [0,0,0,0,0,0|3,0,1]=4 106 B7R0.3 CCC(=O)NCC#N 1626a_100000734998_100000210414 [0,0,0,0,0,0|2,0,1]=3 107 B7R0.3 CCC(=O)NCC#N 527a_100000734998_100000210414 [0,0,0,0,0,0|2,0,1]=3 108 B7R0.3 CCC(=O)NCCF 11a_100000724931_100000210414 [0,0,0,0,0,0|2,0,1]=3 109 B7R0.3 CCC(=O)NCCF 1626a_100000724931_100000210414 [0,0,0,0,0,0|2,0,1]=3 110 B7R0.3 CCC(=O)NCCF 240690a_100000724931_100000210414 [0,0,0,0,0,0|2,0,1]=3 111 B7R0.3 CCC(=O)NCCF 527a_100000724931_100000210414 [0,0,0,0,0,0|2,0,1]=3 112 B7R0.3 CCC(=O)NCCO 240690a_100000210304_100000210414 [0,0,0,0,0,0|2,0,1]=3 113 B7R0.3 CCC(=O)NCCO 527a_100000210304_100000210414 [0,0,0,0,0,0|2,0,1]=3 114 B7R0.3 CCC(C)NCC=O 2230a_100000209981_200015260668 [0,0,0,0,0,0|3,0,1]=4 115 B7R0.3 CCC(C)OCC=O 7a_100000210228_200015260668 [0,0,0,0,0,0|2,1,1]=4 116 B7R0.3 CCC(C)SCC#N 62a_100000758301_100011215382 [0,0,0,0,0,0|2,0,2]=4 117 B7R0.3 CCC(C)SCC#N 62a_100011215382_100000758301 [0,0,0,0,0,0|2,0,2]=4 118 B7R0.3 CCC(C)SCC=O 62a_100000758301_200015260668 [0,0,0,0,0,0|2,0,1]=3 119 B7R0.3 CCC(C)SCC=O 62a_200015260668_100000758301 [0,0,0,0,0,0|2,0,1]=3 120 B7R0.3 CCC(C)SCCF 62a_100000758301_100011217306 [0,0,0,0,0,0|2,0,2]=4 121 B7R0.3 CCC(C)SCCF 62a_100011217306_100000758301 [0,0,0,0,0,0|2,0,2]=4 122 B7R0.3 CCC(C)SCCO 62a_100000211926_100000758301 [0,0,0,0,0,0|2,0,2]=4 123 B7R0.3 CCC(C)SCCO 62a_100000758301_100000211926 [0,0,0,0,0,0|2,0,2]=4 124 B7R0.3 CCC(C)SCOC 62a_100000758301_100000766300 [0,0,0,0,0,0|2,0,2]=4 125 B7R0.3 CCC(C)SCOC 62a_100000766300_100000758301 [0,0,0,0,0,0|2,0,2]=4 126 B7R0.3 CCC(C)SCSC 62a_100000758301_100011218213 [0,0,0,0,0,0|2,0,2]=4 127 B7R0.3 CCC(C)SCSC 62a_100011218213_100000758301 [0,0,0,0,0,0|2,0,2]=4 128 B7R0.3 CCC=CC(=O)CC 1458a_100000212282_100000210202 [0,0,0,0,0,0|1,0,3]=4 129 B7R0.3 CCCCC(=O)CC 1458a_100000210183_100000210202 [0,0,0,0,0,0|1,0,2]=3 130 B7R0.3 CCCCC(=O)CC 1458a_100000210414_100000210211 [0,0,0,0,0,0|1,0,2]=3 131 B7R0.3 CCCCC(=O)CF 1458a_100000210183_100015361967 [0,0,0,0,0,0|2,0,2]=4 132 B7R0.3 CCCCC(=O)CO 1458a_100000210174_100000210211 [0,0,0,0,0,0|2,0,2]=4 133 B7R0.3 CCCCC(=O)NC 11a_106832991635_100000210183 [0,0,0,0,0,0|2,0,2]=4 134 B7R0.3 CCCCC(=O)NC 1626a_100102657272_100000210183 [0,0,0,0,0,0|2,0,2]=4 135 B7R0.3 CCCCC(=O)NC 240690a_100102657272_100000210183 [0,0,0,0,0,0|2,0,2]=4 136 B7R0.3 CCCCC(=O)NC 527a_100102657272_100000210183 [0,0,0,0,0,0|2,0,2]=4 137 B7R0.3 CCCNC(=O)CC 11a_100020643023_100000210414 [0,0,0,0,0,0|1,0,2]=3 138 B7R0.3 CCCNC(=O)CC 1626a_100020643023_100000210414 [0,0,0,0,0,0|1,0,2]=3 139 B7R0.3 CCCNC(=O)CC 240690a_100020643023_100000210414 [0,0,0,0,0,0|1,0,2]=3 140 B7R0.3 CCCNC(=O)CC 527a_100020643023_100000210414 [0,0,0,0,0,0|1,0,2]=3 141 B7R0.3 CCCNC(=O)CO 240690a_100020643023_100000210174 [0,0,0,0,0,0|2,0,2]=4 142 B7R0.3 CCCNC(=O)CO 527a_100020643023_100000210174 [0,0,0,0,0,0|2,0,2]=4 143 B7R0.3 CCCNC(=O)NC 2708a_100020643023_106832991635 [0,0,0,0,0,0|2,0,2]=4 144 B7R0.3 CCCNC(=O)NC 2708a_100102657272_100020643023 [0,0,0,0,0,0|2,0,2]=4 145 B7R0.3 CCCNC(=O)NC 273464a_100020643023_100102657272 [0,0,0,0,0,0|2,0,2]=4 146 B7R0.3 CCCNC(=O)NC 273464a_100102657272_100020643023 [0,0,0,0,0,0|2,0,2]=4 147 B7R0.3 CCCNC(=O)NC 512a_100020643023_100102657272 [0,0,0,0,0,0|2,0,2]=4 148 B7R0.3 CCCNC(=O)NC 512a_106832991638_100020643023 [0,0,0,0,0,0|2,0,2]=4 149 B7R0.3 CCCSC(C)CC 62a_100000210303_100000758301 [0,0,0,0,0,0|1,0,3]=4 150 B7R0.3 CCCSC(C)CC 62a_100000758301_100000210303 [0,0,0,0,0,0|1,0,3]=4 151 B7R0.3 CCNNC(=O)CC 22a_100000756455_100000210414 [0,0,0,0,0,0|2,0,2]=4 152 B7R0.3 CCOCC(=O)CC 1458a_100000211967_100000210202 [0,0,0,0,0,0|2,0,2]=4 153 B7R0.3 CCOCC(=O)CC 34a_100000725409_100000210202 [0,0,0,0,0,0|2,0,2]=4 154 B7R0.3 CCSCC(=O)CC 1458a_100000230394_100000210202 [0,0,0,0,0,0|2,0,2]=4 155 B7R0.3 CCSCC(=O)CC 62a_100000210202_100000747405 [0,0,0,0,0,0|2,0,2]=4 156 B7R0.3 CCSCC(=O)CC 62a_100000747405_100000210202 [0,0,0,0,0,0|2,0,2]=4 157 B7R0.3 CNC(=O)CCC#N 11a_106832991635_100011934036 [0,0,0,0,0,0|3,0,1]=4 158 B7R0.3 CNC(=O)CCC#N 1626a_100102657272_100011934036 [0,0,0,0,0,0|3,0,1]=4 159 B7R0.3 CNC(=O)CCC#N 240690a_100102657272_100011934036 [0,0,0,0,0,0|3,0,1]=4 160 B7R0.3 CNC(=O)CCC#N 527a_100102657272_100011934036 [0,0,0,0,0,0|3,0,1]=4 161 B7R0.3 CNC(=O)CCN[13CH3] 2230a_100000738227_200025704644 [0,0,0,0,0,0|3,0,1]=4 162 B7R0.3 CNC(=O)CCN[13CH3] 34a_100000738227_200025704644 [0,0,0,0,0,0|3,0,1]=4 163 B7R0.3 CNC(=O)CCOC 11a_106832991635_100000749529 [0,0,0,0,0,0|3,0,1]=4 164 B7R0.3 CNC(=O)CCOC 1626a_100102657272_100000749529 [0,0,0,0,0,0|3,0,1]=4 165 B7R0.3 CNC(=O)CCOC 240690a_100102657272_100000749529 [0,0,0,0,0,0|3,0,1]=4 166 B7R0.3 CNC(=O)CCOC 34a_100000754576_200000210301 [0,0,0,0,0,0|3,0,1]=4 167 B7R0.3 CNC(=O)CCOC 34a_100138415774_100012179268 [0,0,0,0,0,0|3,0,1]=4 168 B7R0.3 CNC(=O)CCOC 527a_100102657272_100000749529 [0,0,0,0,0,0|3,0,1]=4 169 B7R0.3 CNC(=O)CCO[13CH3] 34a_100000754576_200025704644 [0,0,0,0,0,0|3,0,1]=4 170 B7R0.3 CNC(=O)CCSC 11a_106832991635_100000174002 [0,0,0,0,0,0|3,0,1]=4 171 B7R0.3 CNC(=O)CCSC 1626a_100102657272_100000174002 [0,0,0,0,0,0|3,0,1]=4 172 B7R0.3 CNC(=O)CCSC 240690a_100102657272_100000174002 [0,0,0,0,0,0|3,0,1]=4 173 B7R0.3 CNC(=O)CCSC 527a_100102657272_100000174002 [0,0,0,0,0,0|3,0,1]=4 174 B7R0.3 CNC(=O)CCSC 62a_100000737683_200000210301 [0,0,0,0,0,0|3,0,1]=4 175 B7R0.3 CNC(=O)CCSC 62a_200000210301_100000737683 [0,0,0,0,0,0|3,0,1]=4 176 B7R0.3 CNC(=O)CCS[13CH3] 62a_100000737683_200025704644 [0,0,0,0,0,0|3,0,1]=4 177 B7R0.3 CNC(=O)CCS[13CH3] 62a_200025704644_100000737683 [0,0,0,0,0,0|3,0,1]=4 178 B7R0.3 CNC(=O)NCC#N 2708a_100000734998_106832991635 [0,0,0,0,0,0|3,0,1]=4 179 B7R0.3 CNC(=O)NCC#N 273464a_100000734998_100102657272 [0,0,0,0,0,0|3,0,1]=4 180 B7R0.3 CNC(=O)NCC#N 273464a_100102657272_100000734998 [0,0,0,0,0,0|3,0,1]=4 181 B7R0.3 CNC(=O)NCC#N 512a_100000734998_100102657272 [0,0,0,0,0,0|3,0,1]=4 182 B7R0.3 CNC(=O)NCC#N 512a_106832991638_100000734998 [0,0,0,0,0,0|3,0,1]=4 183 B7R0.3 CNC(=O)NCCF 2708a_100102657272_100000724931 [0,0,0,0,0,0|3,0,1]=4 184 B7R0.3 CNC(=O)NCCF 273464a_100000724931_100102657272 [0,0,0,0,0,0|3,0,1]=4 185 B7R0.3 CNC(=O)NCCF 273464a_100102657272_100000724931 [0,0,0,0,0,0|3,0,1]=4 186 B7R0.3 CNC(=O)NCCF 512a_106832991638_100000724931 [0,0,0,0,0,0|3,0,1]=4 187 B7R0.3 CNC(=O)NCCO 2708a_100102657272_100000210304 [0,0,0,0,0,0|3,0,1]=4 188 B7R0.3 CNC(=O)NCCO 273464a_100000210304_100102657272 [0,0,0,0,0,0|3,0,1]=4 189 B7R0.3 CNC(=O)NCCO 273464a_100102657272_100000210304 [0,0,0,0,0,0|3,0,1]=4 190 B7R0.3 CNC(=O)NCCO 512a_106832991638_100000210304 [0,0,0,0,0,0|3,0,1]=4 191 B7R0.3 CNCCC(=O)NC 2230a_100000738227_200000210301 [0,0,0,0,0,0|3,0,1]=4 192 B7R0.3 CNCCC(=O)NC 2230a_106832991635_100000737683 [0,0,0,0,0,0|3,0,1]=4 193 B7R0.3 CNCCC(=O)NC 34a_100000738227_200000210301 [0,0,0,0,0,0|3,0,1]=4 194 B7R0.3 CNCCC(=O)NC 34a_100102657272_100012179268 [0,0,0,0,0,0|3,0,1]=4 195 B7R0.3 CNCCC(=O)NC 7a_106832991635_100000737683 [0,0,0,0,0,0|3,0,1]=4 196 B7R0.3 CNCCC(=O)OC 2230a_106832991635_100000204255 [0,0,0,0,0,0|3,0,1]=4 197 B7R0.3 CNCCC(=O)OC 34a_100102657272_100000742370 [0,0,0,0,0,0|3,0,1]=4 198 B7R0.3 CNCCC(=O)OC 7a_106832991635_100000204255 [0,0,0,0,0,0|3,0,1]=4 199 B7R0.3 COC(=O)CCSC 62a_100000204255_200000210301 [0,0,0,0,0,0|3,0,1]=4 200 B7R0.3 COC(=O)CCSC 62a_200000210301_100000204255 [0,0,0,0,0,0|3,0,1]=4 201 B7R0.3 COC(=O)CCS[13CH3] 62a_100000204255_200025704644 [0,0,0,0,0,0|3,0,1]=4 202 B7R0.3 COC(=O)CCS[13CH3] 62a_200025704644_100000204255 [0,0,0,0,0,0|3,0,1]=4 203 B7R0.3 COC(=O)OCSC 62a_200000210301_100000139417 [0,0,0,0,0,0|2,1,1]=4 204 B7R0.3 COC(=O)OCS[13CH3] 62a_200025704644_100000139417 [0,0,0,0,0,0|2,1,1]=4 205 B7R0.3 COC(C)SCC=O 62a_100009879195_200015260668 [0,0,0,0,0,0|3,0,1]=4 206 B7R0.3 COC(C)SCC=O 62a_200015260668_100009879195 [0,0,0,0,0,0|3,0,1]=4 207 B7R0.3 COCCC(=O)CF 1458a_100000749529_100015361967 [0,0,0,0,0,0|3,0,1]=4 208 B7R0.3 COCCC(=O)CO 1458a_100000210174_100000233755 [0,0,0,0,0,0|3,0,1]=4 209 B7R0.3 COCCC(=O)OC 34a_100138415774_100000742370 [0,0,0,0,0,0|3,0,1]=4 210 B7R0.3 CSCCC(=O)CF 1458a_100000174002_100015361967 [0,0,0,0,0,0|3,0,1]=4 211 B7R0.3 CSCCC(=O)CO 1458a_100000210174_100000751147 [0,0,0,0,0,0|3,0,1]=4 212 B7R0.3 C[C@H](CO)SCC=O 62a_100016084084_200015260668 [0,0,0,0,0,0|3,0,1]=4 213 B7R0.3 C[C@H](CO)SCC=O 62a_200015260668_100016084084 [0,0,0,0,0,0|3,0,1]=4 214 B7R0.3 N#CCCC(=O)CF 1458a_100011934036_100015361967 [0,0,0,0,0,0|3,0,1]=4 215 B7R0.3 N#CCCC(=O)CO 1458a_100000210174_100011215226 [0,0,0,0,0,0|3,0,1]=4 216 B7R0.3 N#CCNC(=O)CO 527a_100000734998_100000210174 [0,0,0,0,0,0|3,0,1]=4 217 B7R0.3 O=C(CO)CCCF 1458a_100000210174_100011934791 [0,0,0,0,0,0|3,0,1]=4 218 B7R0.3 O=C(CO)CCCO 1458a_100000210174_100011215043 [0,0,0,0,0,0|3,0,1]=4 219 B7R0.3 O=C(CO)NCCF 240690a_100000724931_100000210174 [0,0,0,0,0,0|3,0,1]=4 220 B7R0.3 O=C(CO)NCCF 527a_100000724931_100000210174 [0,0,0,0,0,0|3,0,1]=4 221 B7R0.3 O=C(CO)NCCO 240690a_100000210304_100000210174 [0,0,0,0,0,0|3,0,1]=4 222 B7R0.3 O=C(CO)NCCO 527a_100000210304_100000210174 [0,0,0,0,0,0|3,0,1]=4 223 B6R0.1 C#CC(=O)CC=C 1458a_100000211873_100000210623 [1,0,0,0,0,0|0,0,2]=3 224 B6R0.1 C#CCC(=O)CC 1458a_100000210414_100000184674 [1,0,0,0,0,0|0,0,2]=3 225 B6R0.1 C#CCC(=O)CC 1458a_100011220946_100000210202 [1,0,0,0,0,0|0,0,2]=3 226 B6R0.1 C#CCC(=O)CF 1458a_100011220946_100015361967 [1,0,0,0,0,0|1,0,2]=4 227 B6R0.1 C#CCC(=O)CO 1458a_100000210174_100000184674 [1,0,0,0,0,0|1,0,2]=4 228 B6R0.1 C#CCC(=O)NC 1626a_100102657272_100011220946 [1,0,0,0,0,0|1,0,2]=4 229 B6R0.1 C#CCC(=O)NC 527a_100102657272_100011220946 [1,0,0,0,0,0|1,0,2]=4 230 B6R0.1 C=CCC(=O)C=C 1458a_100000185746_100000210623 [1,0,0,0,0,0|0,0,2]=3 231 B6R0.1 C=CCC(=O)CC 1458a_100000210193_100000210202 [1,0,0,0,0,0|0,0,0]=1 232 B6R0.1 C=CCC(=O)CC 1458a_100000210414_100000210623 [1,0,0,0,0,0|0,0,0]=1 233 B6R0.1 C=CCC(=O)CF 1458a_100000210193_100015361967 [1,0,0,0,0,0|1,0,0]=2 234 B6R0.1 C=CCC(=O)CO 1458a_100000210174_100000210623 [1,0,0,0,0,0|1,0,0]=2 235 B6R0.1 C=CCC(=O)NC 11a_106832991635_100000210193 [1,0,0,0,0,0|1,0,0]=2 236 B6R0.1 C=CCC(=O)NC 1626a_100102657272_100000210193 [1,0,0,0,0,0|1,0,0]=2 237 B6R0.1 C=CCC(=O)NC 240690a_100102657272_100000210193 [1,0,0,0,0,0|1,0,0]=2 238 B6R0.1 C=CCC(=O)NC 527a_100102657272_100000210193 [1,0,0,0,0,0|1,0,0]=2 239 B6R0.1 C=CCN(C)CC 2230a_100000225617_100000210202 [1,0,0,0,0,0|2,0,0]=3 240 B6R0.1 C=CCN(C)CC 2230a_100000225621_100000210623 [1,0,0,0,0,0|2,0,0]=3 241 B6R0.1 C=CCN(C)CC 269982a_100000225617_100000204670 [1,0,0,0,0,0|2,0,0]=3 242 B6R0.1 C=CCN(C)CC 269982a_100000225621_100000210623 [1,0,0,0,0,0|2,0,0]=3 243 B6R0.1 C=CCN(C)CF 269982a_100000225617_100015361967 [1,0,0,0,0,0|3,0,0]=4 244 B6R0.1 C=CC[C@@H](C)OC 34a_100000731007_200000210301 [1,0,0,0,0,0|2,0,1]=4 245 B6R0.1 C=CC[C@@H](C)OC 7a_100000731007_200000210301 [1,0,0,0,0,0|2,0,1]=4 246 B6R0.1 C=CC[C@@H](C)O[13CH3] 34a_100000731007_200025704644 [1,0,0,0,0,0|2,0,1]=4 247 B6R0.1 C=CC[C@@H](C)O[13CH3] 7a_100000731007_200025704644 [1,0,0,0,0,0|2,0,1]=4 248 B6R0.1 CC#CC(=O)CC 1458a_100000763181_100000210202 [1,0,0,0,0,0|0,0,3]=4 249 B6R0.1 CC=CC(=O)CC 1458a_100000210699_100000210202 [1,0,0,0,0,0|0,0,2]=3 250 B6R0.1 CC=CC(=O)CF 1458a_100000210699_100015361967 [1,0,0,0,0,0|1,0,2]=4 251 B6R0.1 CC=CC(=O)NC 11a_106832991635_100000210699 [1,0,0,0,0,0|1,0,2]=4 252 B6R0.1 CC=CC(=O)NC 1626a_100102657272_100000210699 [1,0,0,0,0,0|1,0,2]=4 253 B6R0.1 CC=CC(=O)NC 240690a_100102657272_100000210699 [1,0,0,0,0,0|1,0,2]=4 254 B6R0.1 CCC(=O)C=CBr 1458a_100016273825_100000210202 [1,0,0,0,0,0|1,0,1]=3 255 B6R0.1 CCC(=O)C=CCl 1458a_200016279998_100000210202 [1,0,0,0,0,0|1,0,1]=3 256 B6R0.1 CCC(=O)C=CI 1458a_100016256311_100000210202 [1,0,0,0,0,0|1,0,1]=3 257 B6R0.1 CCC(=O)CC#N 1458a_100000210414_100011214920 [1,0,0,0,0,0|1,0,1]=3 258 B6R0.1 CCC(=O)CC#N 1458a_100051588842_100000210202 [1,0,0,0,0,0|1,0,1]=3 259 B6R0.1 CCC(=O)CCF 1458a_100000210414_100011217306 [1,0,0,0,0,0|1,0,1]=3 260 B6R0.1 CCC(=O)CCO 1458a_100000210414_100000211926 [1,0,0,0,0,0|1,0,1]=3 261 B6R0.1 CCC(=O)CCO 1458a_100011216618_100000210202 [1,0,0,0,0,0|1,0,1]=3 262 B6R0.1 CCC(=O)CNC 7a_106832991635_100000747405 [1,0,0,0,0,0|1,0,1]=3 263 B6R0.1 CCC(=O)COC 1458a_100000210968_100000210202 [1,0,0,0,0,0|1,0,1]=3 264 B6R0.1 CCC(=O)COC 34a_100000725409_200000210301 [1,0,0,0,0,0|1,0,1]=3 265 B6R0.1 CCC(=O)CO[13CH3] 34a_100000725409_200025704644 [1,0,0,0,0,0|1,0,1]=3 266 B6R0.1 CCC(=O)CSC 1458a_100000184570_100000210202 [1,0,0,0,0,0|1,0,1]=3 267 B6R0.1 CCC(=O)CSC 62a_100000747405_200000210301 [1,0,0,0,0,0|1,0,1]=3 268 B6R0.1 CCC(=O)CSC 62a_200000210301_100000747405 [1,0,0,0,0,0|1,0,1]=3 269 B6R0.1 CCC(=O)CS[13CH3] 62a_100000747405_200025704644 [1,0,0,0,0,0|1,0,1]=3 270 B6R0.1 CCC(=O)CS[13CH3] 62a_200025704644_100000747405 [1,0,0,0,0,0|1,0,1]=3 271 B6R0.1 CCC(=O)NNC 22a_100016993582_100000210414 [1,0,0,0,0,0|2,0,1]=4 272 B6R0.1 CCC(C)SCF 62a_100000758301_100015361967 [1,0,0,0,0,0|2,0,1]=4 273 B6R0.1 CCC(C)SCF 62a_100015361967_100000758301 [1,0,0,0,0,0|2,0,1]=4 274 B6R0.1 CCCC(=O)CC 1458a_100000210414_100000210303 [1,0,0,0,0,0|0,0,2]=3 275 B6R0.1 CCCC(=O)CC 1458a_100000211992_100000210202 [1,0,0,0,0,0|0,0,2]=3 276 B6R0.1 CCCC(=O)CF 1458a_100000211992_100015361967 [1,0,0,0,0,0|1,0,2]=4 277 B6R0.1 CCCC(=O)CO 1458a_100000210174_100000210303 [1,0,0,0,0,0|1,0,2]=4 278 B6R0.1 CCCC(=O)NC 11a_106832991635_100000211992 [1,0,0,0,0,0|1,0,2]=4 279 B6R0.1 CCCC(=O)NC 1626a_100102657272_100000211992 [1,0,0,0,0,0|1,0,2]=4 280 B6R0.1 CCCC(=O)NC 240690a_100102657272_100000211992 [1,0,0,0,0,0|1,0,2]=4 281 B6R0.1 CCCC(=O)NC 527a_100102657272_100000211992 [1,0,0,0,0,0|1,0,2]=4 282 B6R0.1 CCN(C)CC=O 2230a_100000225621_200015260668 [1,0,0,0,0,0|3,0,0]=4 283 B6R0.1 CCN(C)CC=O 269982a_100000225621_200015260668 [1,0,0,0,0,0|3,0,0]=4 284 B6R0.1 CCNC(=O)CC 11a_100015525214_100000210414 [1,0,0,0,0,0|1,0,1]=3 285 B6R0.1 CCNC(=O)CC 240690a_100015525214_100000210414 [1,0,0,0,0,0|1,0,1]=3 286 B6R0.1 CCNC(=O)CC 527a_100015525214_100000210414 [1,0,0,0,0,0|1,0,1]=3 287 B6R0.1 CCNC(=O)CO 240690a_100015525214_100000210174 [1,0,0,0,0,0|2,0,1]=4 288 B6R0.1 CCNC(=O)CO 527a_100015525214_100000210174 [1,0,0,0,0,0|2,0,1]=4 289 B6R0.1 CCNC(=O)NC 2708a_100015525214_106832991635 [1,0,0,0,0,0|2,0,1]=4 290 B6R0.1 CCNC(=O)NC 2708a_100102657272_100015525214 [1,0,0,0,0,0|2,0,1]=4 291 B6R0.1 CCNC(=O)NC 273464a_100015525214_100102657272 [1,0,0,0,0,0|2,0,1]=4 292 B6R0.1 CCNC(=O)NC 273464a_100102657272_100015525214 [1,0,0,0,0,0|2,0,1]=4 293 B6R0.1 CCNC(=O)NC 512a_100015525214_100102657272 [1,0,0,0,0,0|2,0,1]=4 294 B6R0.1 CCNC(=O)NC 512a_106832991638_100015525214 [1,0,0,0,0,0|2,0,1]=4 295 B6R0.1 CCSC(C)CC 62a_100000210202_100000758301 [1,0,0,0,0,0|1,0,2]=4 296 B6R0.1 CCSC(C)CC 62a_100000758301_100000210202 [1,0,0,0,0,0|1,0,2]=4 297 B6R0.1 CNC(=O)C=CBr 1626a_100102657272_100016273825 [1,0,0,0,0,0|2,0,1]=4 298 B6R0.1 CNC(=O)C=CBr 240690a_100102657272_100016273825 [1,0,0,0,0,0|2,0,1]=4 299 B6R0.1 CNC(=O)C=CCl 11a_106832991635_200016279998 [1,0,0,0,0,0|2,0,1]=4 300 B6R0.1 CNC(=O)C=CCl 1626a_100102657272_200016279998 [1,0,0,0,0,0|2,0,1]=4 301 B6R0.1 CNC(=O)C=CCl 240690a_100102657272_200016279998 [1,0,0,0,0,0|2,0,1]=4 302 B6R0.1 CNC(=O)C=CI 1626a_100102657272_100016256311 [1,0,0,0,0,0|2,0,1]=4 303 B6R0.1 CNC(=O)CC#N 1626a_100102657272_100051588842 [1,0,0,0,0,0|2,0,1]=4 304 B6R0.1 CNC(=O)CC#N 240690a_100102657272_100051588842 [1,0,0,0,0,0|2,0,1]=4 305 B6R0.1 CNC(=O)CCO 240690a_100102657272_100011216618 [1,0,0,0,0,0|2,0,1]=4 306 B6R0.1 CNC(=O)CN[13CH3] 2230a_100000693194_200025704644 [1,0,0,0,0,0|2,0,1]=4 307 B6R0.1 CNC(=O)COC 11a_106832991635_100000210968 [1,0,0,0,0,0|2,0,1]=4 308 B6R0.1 CNC(=O)COC 1626a_100102657272_100000210968 [1,0,0,0,0,0|2,0,1]=4 309 B6R0.1 CNC(=O)COC 240690a_100102657272_100000210968 [1,0,0,0,0,0|2,0,1]=4 310 B6R0.1 CNC(=O)COC 34a_100000750040_200000210301 [1,0,0,0,0,0|2,0,1]=4 311 B6R0.1 CNC(=O)COC 34a_100138415774_100000183359 [1,0,0,0,0,0|2,0,1]=4 312 B6R0.1 CNC(=O)COC 527a_100102657272_100000210968 [1,0,0,0,0,0|2,0,1]=4 313 B6R0.1 CNC(=O)CO[13CH3] 34a_100000750040_200025704644 [1,0,0,0,0,0|2,0,1]=4 314 B6R0.1 CNC(=O)CSC 11a_106832991635_100000184570 [1,0,0,0,0,0|2,0,1]=4 315 B6R0.1 CNC(=O)CSC 1626a_100102657272_100000184570 [1,0,0,0,0,0|2,0,1]=4 316 B6R0.1 CNC(=O)CSC 240690a_100102657272_100000184570 [1,0,0,0,0,0|2,0,1]=4 317 B6R0.1 CNC(=O)CSC 527a_100102657272_100000184570 [1,0,0,0,0,0|2,0,1]=4 318 B6R0.1 CNC(=O)CSC 62a_100000183359_200000210301 [1,0,0,0,0,0|2,0,1]=4 319 B6R0.1 CNC(=O)CSC 62a_200000210301_100000183359 [1,0,0,0,0,0|2,0,1]=4 320 B6R0.1 CNC(=O)CS[13CH3] 62a_100000183359_200025704644 [1,0,0,0,0,0|2,0,1]=4 321 B6R0.1 CNC(=O)CS[13CH3] 62a_200025704644_100000183359 [1,0,0,0,0,0|2,0,1]=4 322 B6R0.1 CNCC(=O)NC 2230a_100000693194_200000210301 [1,0,0,0,0,0|2,0,1]=4 323 B6R0.1 CNCC(=O)NC 2230a_106832991635_100000183359 [1,0,0,0,0,0|2,0,1]=4 324 B6R0.1 CNCC(=O)NC 34a_100102657272_100000183359 [1,0,0,0,0,0|2,0,1]=4 325 B6R0.1 CNCC(=O)NC 7a_106832991635_100000183359 [1,0,0,0,0,0|2,0,1]=4 326 B6R0.1 CNCC(=O)OC 2230a_106832991635_100000747449 [1,0,0,0,0,0|2,0,1]=4 327 B6R0.1 CNCC(=O)OC 34a_100102657272_100000747449 [1,0,0,0,0,0|2,0,1]=4 328 B6R0.1 CNCC(=O)OC 7a_106832991635_100000747449 [1,0,0,0,0,0|2,0,1]=4 329 B6R0.1 COC(=O)CSC 62a_100000747449_200000210301 [1,0,0,0,0,0|2,0,1]=4 330 B6R0.1 COC(=O)CSC 62a_200000210301_100000747449 [1,0,0,0,0,0|2,0,1]=4 331 B6R0.1 COC(=O)CS[13CH3] 62a_100000747449_200025704644 [1,0,0,0,0,0|2,0,1]=4 332 B6R0.1 COC(=O)CS[13CH3] 62a_200025704644_100000747449 [1,0,0,0,0,0|2,0,1]=4 333 B6R0.1 COCC(=O)CF 1458a_100000210968_100015361967 [1,0,0,0,0,0|2,0,1]=4 334 B6R0.1 COCC(=O)OC 34a_100138415774_100000747449 [1,0,0,0,0,0|2,0,1]=4 335 B6R0.1 CSCC(=O)CF 1458a_100000184570_100015361967 [1,0,0,0,0,0|2,0,1]=4 336 B6R0.1 N#CCC(=O)CF 1458a_100051588842_100015361967 [1,0,0,0,0,0|2,0,1]=4 337 B6R0.1 N#CCC(=O)CO 1458a_100000210174_100011214920 [1,0,0,0,0,0|2,0,1]=4 338 B6R0.1 O=C(C=CBr)CF 1458a_100016273825_100015361967 [1,0,0,0,0,0|2,0,1]=4 339 B6R0.1 O=C(C=CCl)CF 1458a_200016279998_100015361967 [1,0,0,0,0,0|2,0,1]=4 340 B6R0.1 O=C(C=CI)CF 1458a_100016256311_100015361967 [1,0,0,0,0,0|2,0,1]=4 341 B6R0.1 O=C(CF)CCO 1458a_100011216618_100015361967 [1,0,0,0,0,0|2,0,1]=4 342 B6R0.1 O=C(CO)CCF 1458a_100000210174_100011217306 [1,0,0,0,0,0|2,0,1]=4 343 B6R0.1 O=C(CO)CCO 1458a_100000210174_100000211926 [1,0,0,0,0,0|2,0,1]=4 344 B6R0.4 C#CCCC(=O)C 1458a_100000070787_100000753159 [1,0,0,0,0,0|1,0,2]=4 345 B6R0.4 C#CCCC(=O)C 1458a_100000692101_200000210301 [1,0,0,0,0,0|1,0,2]=4 346 B6R0.4 C#CCCC(=O)[13CH3] 1458a_100000692101_200025704644 [1,0,0,0,0,0|1,0,2]=4 347 B6R0.4 C#CCNC(=O)C 11a_100000212058_100015343762 [1,0,0,0,0,0|1,0,2]=4 348 B6R0.4 C#CCNC(=O)C 1626a_100000212058_100015343762 [1,0,0,0,0,0|1,0,2]=4 349 B6R0.4 C#CCNC(=O)C 240690a_100000212058_100015343762 [1,0,0,0,0,0|1,0,2]=4 350 B6R0.4 C#CCNC(=O)C 527a_100000212058_100103153847 [1,0,0,0,0,0|1,0,2]=4 351 B6R0.4 C/C=C/CC(=O)C 1458a_100000070787_100102629194 [1,0,0,0,0,0|1,0,2]=4 352 B6R0.4 C=CC=CC(=O)C 1458a_100016291481_200000210301 [1,0,0,0,0,0|1,0,1]=3 353 B6R0.4 C=CC=CC(=O)[13CH3] 1458a_100016291481_200025704644 [1,0,0,0,0,0|1,0,1]=3 354 B6R0.4 C=CCCC(=O)C 1458a_100000070787_100000754431 [1,0,0,0,0,0|1,0,0]=2 355 B6R0.4 C=CCCC(=O)C 1458a_100000749702_200000210301 [1,0,0,0,0,0|1,0,0]=2 356 B6R0.4 C=CCCC(=O)[13CH3] 1458a_100000749702_200025704644 [1,0,0,0,0,0|1,0,0]=2 357 B6R0.4 C=CCCN(C)C 2230a_100020639649_200000210301 [1,0,0,0,0,0|3,0,0]=4 358 B6R0.4 C=CCCN(C)C 2230a_100102631434_100000754431 [1,0,0,0,0,0|3,0,0]=4 359 B6R0.4 C=CCCN(C)C 269982a_100020639649_200000210301 [1,0,0,0,0,0|3,0,0]=4 360 B6R0.4 C=CCCN(C)C 269982a_100102631434_100000754431 [1,0,0,0,0,0|3,0,0]=4 361 B6R0.4 C=CCCN(C)[13CH3] 2230a_100020639649_200025704644 [1,0,0,0,0,0|3,0,0]=4 362 B6R0.4 C=CCCN(C)[13CH3] 269982a_100020639649_200025704644 [1,0,0,0,0,0|3,0,0]=4 363 B6R0.4 C=CCNC(=O)C 1626a_100020586998_100015343762 [1,0,0,0,0,0|1,0,0]=2 364 B6R0.4 C=CCNC(=O)C 240690a_100020586998_100015343762 [1,0,0,0,0,0|1,0,0]=2 365 B6R0.4 C=CCNC(=O)C 527a_100020586998_100103153847 [1,0,0,0,0,0|1,0,0]=2 366 B6R0.4 C=CCNC(C)C 2230a_100020586998_100000210206 [1,0,0,0,0,0|2,0,1]=4 367 B6R0.4 C=CCNC(C)C 2230a_100138425928_100000210623 [1,0,0,0,0,0|2,0,1]=4 368 B6R0.4 C=CCNC(C)C 34a_100138425928_100015514636 [1,0,0,0,0,0|2,0,1]=4 369 B6R0.4 C=CCOC(C)C 34a_100000212225_100015514636 [1,0,0,0,0,0|1,1,1]=4 370 B6R0.4 C=CCOC(C)C 34a_200000210373_100000210206 [1,0,0,0,0,0|1,1,1]=4 371 B6R0.4 C=CCSC(C)C 62a_100000210206_100000210623 [1,0,0,0,0,0|1,0,1]=3 372 B6R0.4 C=CCSC(C)C 62a_100000210623_100000210206 [1,0,0,0,0,0|1,0,1]=3 373 B6R0.4 CC(=O)CCC#N 1458a_100000070787_100011215226 [1,0,0,0,0,0|2,0,1]=4 374 B6R0.4 CC(=O)CCC#N 1458a_100011934036_200000210301 [1,0,0,0,0,0|2,0,1]=4 375 B6R0.4 CC(=O)CCCF 1458a_100000070787_100011934791 [1,0,0,0,0,0|2,0,1]=4 376 B6R0.4 CC(=O)CCCO 1458a_100000070787_100011215043 [1,0,0,0,0,0|2,0,1]=4 377 B6R0.4 CC(=O)CCO[13CH3] 34a_100000759926_200025704644 [1,0,0,0,0,0|2,0,1]=4 378 B6R0.4 CC(=O)CCO[13CH3] 7a_100000759926_200025704644 [1,0,0,0,0,0|2,0,1]=4 379 B6R0.4 CC(=O)CCS[13CH3] 62a_100000053229_200025704644 [1,0,0,0,0,0|2,0,1]=4 380 B6R0.4 CC(=O)CCS[13CH3] 62a_200025704644_100000053229 [1,0,0,0,0,0|2,0,1]=4 381 B6R0.4 CC(=O)NCC#N 1626a_100000734998_100015343762 [1,0,0,0,0,0|2,0,1]=4 382 B6R0.4 CC(=O)NCC#N 527a_100000734998_100103153847 [1,0,0,0,0,0|2,0,1]=4 383 B6R0.4 CC(=O)NCCF 11a_100000724931_100015343762 [1,0,0,0,0,0|2,0,1]=4 384 B6R0.4 CC(=O)NCCF 1626a_100000724931_100015343762 [1,0,0,0,0,0|2,0,1]=4 385 B6R0.4 CC(=O)NCCF 240690a_100000724931_100015343762 [1,0,0,0,0,0|2,0,1]=4 386 B6R0.4 CC(=O)NCCF 527a_100000724931_100103153847 [1,0,0,0,0,0|2,0,1]=4 387 B6R0.4 CC(=O)NCCO 240690a_100000210304_100015343762 [1,0,0,0,0,0|2,0,1]=4 388 B6R0.4 CC(=O)NCCO 527a_100000210304_100103153847 [1,0,0,0,0,0|2,0,1]=4 389 B6R0.4 CC(=O)OCS[13CH3] 62a_100000076356_200025704644 [1,0,0,0,0,0|1,1,1]=4 390 B6R0.4 CC(=O)OCS[13CH3] 62a_200025704644_100000076356 [1,0,0,0,0,0|1,1,1]=4 391 B6R0.4 CC(C)SCC=O 62a_100000210206_200015260668 [1,0,0,0,0,0|2,0,1]=4 392 B6R0.4 CC(C)SCC=O 62a_200015260668_100000210206 [1,0,0,0,0,0|2,0,1]=4 393 B6R0.4 CC=CCC(=O)C 1458a_100000070787_100000070051 [1,0,0,0,0,0|1,0,2]=4 394 B6R0.4 CC=CCC(=O)C 1458a_100121576822_200000210301 [1,0,0,0,0,0|1,0,2]=4 395 B6R0.4 CC=CCC(=O)[13CH3] 1458a_100121576822_200025704644 [1,0,0,0,0,0|1,0,2]=4 396 B6R0.4 CC=NNC(=O)C 4a_100000189765_200000210099 [1,0,0,0,0,0|2,0,1]=4 397 B6R0.4 CCCCC(=O)C 1458a_100000070787_100000210211 [1,0,0,0,0,0|1,0,2]=4 398 B6R0.4 CCCCC(=O)C 1458a_100000210183_200000210301 [1,0,0,0,0,0|1,0,2]=4 399 B6R0.4 CCCCC(=O)[13CH3] 1458a_100000210183_200025704644 [1,0,0,0,0,0|1,0,2]=4 400 B6R0.4 CCCNC(=O)C 11a_100020643023_100015343762 [1,0,0,0,0,0|1,0,2]=4 401 B6R0.4 CCCNC(=O)C 1626a_100020643023_100015343762 [1,0,0,0,0,0|1,0,2]=4 402 B6R0.4 CCCNC(=O)C 240690a_100020643023_100015343762 [1,0,0,0,0,0|1,0,2]=4 403 B6R0.4 CCCNC(=O)C 527a_100020643023_100103153847 [1,0,0,0,0,0|1,0,2]=4 404 B6R0.4 CNCCC(=O)C 7a_106832991635_100000053229 [1,0,0,0,0,0|2,0,1]=4 405 B6R0.4 CNCOC(=O)C 34a_100102657272_100009813279 [1,0,0,0,0,0|1,1,1]=4 406 B6R0.4 COCCC(=O)C 1458a_100000070787_100000233755 [1,0,0,0,0,0|2,0,1]=4 407 B6R0.4 COCCC(=O)C 1458a_100000749529_200000210301 [1,0,0,0,0,0|2,0,1]=4 408 B6R0.4 COCCC(=O)C 34a_100000759926_200000210301 [1,0,0,0,0,0|2,0,1]=4 409 B6R0.4 COCCC(=O)C 7a_100000759926_200000210301 [1,0,0,0,0,0|2,0,1]=4 410 B6R0.4 COCCC(=O)[13CH3] 1458a_100000749529_200025704644 [1,0,0,0,0,0|2,0,1]=4 411 B6R0.4 COCOC(=O)C 34a_100138415774_100009813279 [1,0,0,0,0,0|1,1,1]=4 412 B6R0.4 CSCCC(=O)C 1458a_100000070787_100000751147 [1,0,0,0,0,0|2,0,1]=4 413 B6R0.4 CSCCC(=O)C 1458a_100000174002_200000210301 [1,0,0,0,0,0|2,0,1]=4 414 B6R0.4 CSCCC(=O)C 62a_100000053229_200000210301 [1,0,0,0,0,0|2,0,1]=4 415 B6R0.4 CSCCC(=O)C 62a_200000210301_100000053229 [1,0,0,0,0,0|2,0,1]=4 416 B6R0.4 CSCCC(=O)[13CH3] 1458a_100000174002_200025704644 [1,0,0,0,0,0|2,0,1]=4 417 B6R0.4 CSCOC(=O)C 62a_100000076356_200000210301 [1,0,0,0,0,0|1,1,1]=4 418 B6R0.4 CSCOC(=O)C 62a_200000210301_100000076356 [1,0,0,0,0,0|1,1,1]=4 419 B6R0.4 [13CH3]C(=O)CCC#N 1458a_100011934036_200025704644 [1,0,0,0,0,0|2,0,1]=4 420 B6R0.6 C#CCSCC=C 62a_100000038162_100000210623 [1,0,0,0,0,0|0,0,3]=4 421 B6R0.6 C#CCSCCC 62a_100000038162_100000210303 [1,0,0,0,0,0|0,0,3]=4 422 B6R0.6 C=CCCCNC 2230a_100000700776_200000210301 [1,0,0,0,0,0|2,0,1]=4 423 B6R0.6 C=CCCCNC 2230a_106832991635_100011713584 [1,0,0,0,0,0|2,0,1]=4 424 B6R0.6 C=CCCCNC 34a_100000700776_200000210301 [1,0,0,0,0,0|2,0,1]=4 425 B6R0.6 C=CCCCNC 34a_100102657272_100000757094 [1,0,0,0,0,0|2,0,1]=4 426 B6R0.6 C=CCCCNC 7a_106832991635_100000757094 [1,0,0,0,0,0|2,0,1]=4 427 B6R0.6 C=CCCCN[13CH3] 2230a_100000700776_200025704644 [1,0,0,0,0,0|2,0,1]=4 428 B6R0.6 C=CCCCN[13CH3] 34a_100000700776_200025704644 [1,0,0,0,0,0|2,0,1]=4 429 B6R0.6 C=CCCCOC 34a_100000758997_200000210301 [1,0,0,0,0,0|2,0,1]=4 430 B6R0.6 C=CCCCOC 34a_100138415774_100000757094 [1,0,0,0,0,0|2,0,1]=4 431 B6R0.6 C=CCCCOC 7a_100000758997_200000210301 [1,0,0,0,0,0|2,0,1]=4 432 B6R0.6 C=CCCCO[13CH3] 34a_100000758997_200025704644 [1,0,0,0,0,0|2,0,1]=4 433 B6R0.6 C=CCCCO[13CH3] 7a_100000758997_200025704644 [1,0,0,0,0,0|2,0,1]=4 434 B6R0.6 C=CCCCSC 62a_100011713584_200000210301 [1,0,0,0,0,0|2,0,1]=4 435 B6R0.6 C=CCCCSC 62a_200000210301_100000757094 [1,0,0,0,0,0|2,0,1]=4 436 B6R0.6 C=CCCCS[13CH3] 62a_100011713584_200025704644 [1,0,0,0,0,0|2,0,1]=4 437 B6R0.6 C=CCCCS[13CH3] 62a_200025704644_100000757094 [1,0,0,0,0,0|2,0,1]=4 438 B6R0.6 C=CCCNCC 2230a_100015191253_100000210202 [1,0,0,0,0,0|2,0,0]=3 439 B6R0.6 C=CCCNCC 2230a_100015525214_100000754431 [1,0,0,0,0,0|2,0,0]=3 440 B6R0.6 C=CCCOCC 34a_100011205117_100000210202 [1,0,0,0,0,0|2,0,0]=3 441 B6R0.6 C=CCCOCC 34a_100121572206_100000754431 [1,0,0,0,0,0|2,0,0]=3 442 B6R0.6 C=CCCOCF 34a_100011205117_100015361967 [1,0,0,0,0,0|3,0,0]=4 443 B6R0.6 C=CCCSCC 62a_100000210202_100000754431 [1,0,0,0,0,0|2,0,0]=3 444 B6R0.6 C=CCCSCC 62a_100000754431_100000210202 [1,0,0,0,0,0|2,0,0]=3 445 B6R0.6 C=CCCSCF 62a_100000754431_100015361967 [1,0,0,0,0,0|3,0,0]=4 446 B6R0.6 C=CCCSCF 62a_100015361967_100000754431 [1,0,0,0,0,0|3,0,0]=4 447 B6R0.6 C=CCNCCC 2230a_100020586998_100000210303 [1,0,0,0,0,0|1,0,1]=3 448 B6R0.6 C=CCNCCF 2230a_100020586998_100011217306 [1,0,0,0,0,0|2,0,1]=4 449 B6R0.6 C=CCNCCF 34a_100000724931_100015514636 [1,0,0,0,0,0|2,0,1]=4 450 B6R0.6 C=CCNCCO 2230a_100016997473_100000210623 [1,0,0,0,0,0|2,0,1]=4 451 B6R0.6 C=CCNCCO 2230a_100020586998_100000211926 [1,0,0,0,0,0|2,0,1]=4 452 B6R0.6 C=CCNCCO 34a_100016990907_100015514636 [1,0,0,0,0,0|2,0,1]=4 453 B6R0.6 C=CCNCOC 2230a_100020586998_100000766300 [1,0,0,0,0,0|2,0,1]=4 454 B6R0.6 C=CCNCSC 2230a_100020586998_100011218213 [1,0,0,0,0,0|2,0,1]=4 455 B6R0.6 C=CCOCCBr 34a_100000211926_100015514636 [1,0,0,0,0,0|1,1,1]=4 456 B6R0.6 C=CCOCCC 34a_100000210258_100015514636 [1,0,0,0,0,0|0,1,1]=3 457 B6R0.6 C=CCOCCC 34a_200000210373_100000210303 [1,0,0,0,0,0|0,1,1]=3 458 B6R0.6 C=CCOCCF 34a_200000210373_100011217306 [1,0,0,0,0,0|1,1,1]=4 459 B6R0.6 C=CCOCCN 34a_100000210304_100015514636 [1,0,0,0,0,0|1,1,1]=4 460 B6R0.6 C=CCOCCO 34a_200000210373_100000211926 [1,0,0,0,0,0|1,1,1]=4 461 B6R0.6 C=CCOCSC 34a_200000210373_100011218213 [1,0,0,0,0,0|1,1,1]=4 462 B6R0.6 C=CCSCC#N 62a_100000210623_100011215382 [1,0,0,0,0,0|1,0,2]=4 463 B6R0.6 C=CCSCC#N 62a_100011215382_100000210623 [1,0,0,0,0,0|1,0,2]=4 464 B6R0.6 C=CCSCC=C 62a_100000210623_100000210623 [1,0,0,0,0,0|0,0,3]=4 465 B6R0.6 C=CCSCC=O 62a_100000210623_200015260668 [1,0,0,0,0,0|1,0,2]=4 466 B6R0.6 C=CCSCC=O 62a_200015260668_100000210623 [1,0,0,0,0,0|1,0,2]=4 467 B6R0.6 C=CCSCCC 62a_100000210303_100000210623 [1,0,0,0,0,0|0,0,1]=2 468 B6R0.6 C=CCSCCC 62a_100000210623_100000210303 [1,0,0,0,0,0|0,0,1]=2 469 B6R0.6 C=CCSCCF 62a_100000210623_100011217306 [1,0,0,0,0,0|1,0,1]=3 470 B6R0.6 C=CCSCCF 62a_100011217306_100000210623 [1,0,0,0,0,0|1,0,1]=3 471 B6R0.6 C=CCSCCO 62a_100000210623_100000211926 [1,0,0,0,0,0|1,0,1]=3 472 B6R0.6 C=CCSCCO 62a_100000211926_100000210623 [1,0,0,0,0,0|1,0,1]=3 473 B6R0.6 C=CCSCOC 62a_100000210623_100000766300 [1,0,0,0,0,0|1,0,1]=3 474 B6R0.6 C=CCSCOC 62a_100000766300_100000210623 [1,0,0,0,0,0|1,0,1]=3 475 B6R0.6 C=CCSCSC 62a_100000210623_100011218213 [1,0,0,0,0,0|1,0,1]=3 476 B6R0.6 C=CCSCSC 62a_100011218213_100000210623 [1,0,0,0,0,0|1,0,1]=3 477 B6R0.6 CC/C=C\CNC 2230a_106832991635_100103147603 [1,0,0,0,0,0|2,0,1]=4 478 B6R0.6 CC/C=C\CNC 34a_100102657272_100103147603 [1,0,0,0,0,0|2,0,1]=4 479 B6R0.6 CC/C=C\CNC 7a_106832991635_100103147603 [1,0,0,0,0,0|2,0,1]=4 480 B6R0.6 CC/C=C\COC 34a_100016268518_200000210301 [1,0,0,0,0,0|2,0,1]=4 481 B6R0.6 CC/C=C\COC 34a_100138415774_100103147603 [1,0,0,0,0,0|2,0,1]=4 482 B6R0.6 CC/C=C\CO[13CH3] 34a_100016268518_200025704644 [1,0,0,0,0,0|2,0,1]=4 483 B6R0.6 CC/C=C\CSC 62a_100103147603_200000210301 [1,0,0,0,0,0|2,0,1]=4 484 B6R0.6 CC/C=C\CSC 62a_200000210301_100103147603 [1,0,0,0,0,0|2,0,1]=4 485 B6R0.6 CC/C=C\CS[13CH3] 62a_100103147603_200025704644 [1,0,0,0,0,0|2,0,1]=4 486 B6R0.6 CC/C=C\CS[13CH3] 62a_200025704644_100103147603 [1,0,0,0,0,0|2,0,1]=4 487 B6R0.6 CCCOCC=O 34a_100000210258_200009817547 [1,0,0,0,0,0|1,1,1]=4 488 B6R0.6 CCCSCC#N 62a_100000210303_100011215382 [1,0,0,0,0,0|1,0,2]=4 489 B6R0.6 CCCSCC#N 62a_100011215382_100000210303 [1,0,0,0,0,0|1,0,2]=4 490 B6R0.6 CCCSCC=O 62a_100000210303_200015260668 [1,0,0,0,0,0|1,0,1]=3 491 B6R0.6 CCCSCC=O 62a_200015260668_100000210303 [1,0,0,0,0,0|1,0,1]=3 492 B6R0.6 CCCSCCC 62a_100000210303_100000210303 [1,0,0,0,0,0|0,0,3]=4 493 B6R0.6 CCCSCCF 62a_100000210303_100011217306 [1,0,0,0,0,0|1,0,2]=4 494 B6R0.6 CCCSCCF 62a_100011217306_100000210303 [1,0,0,0,0,0|1,0,2]=4 495 B6R0.6 CCCSCCO 62a_100000210303_100000211926 [1,0,0,0,0,0|1,0,2]=4 496 B6R0.6 CCCSCCO 62a_100000211926_100000210303 [1,0,0,0,0,0|1,0,2]=4 497 B6R0.6 CCCSCOC 62a_100000210303_100000766300 [1,0,0,0,0,0|1,0,2]=4 498 B6R0.6 CCCSCOC 62a_100000766300_100000210303 [1,0,0,0,0,0|1,0,2]=4 499 B6R0.6 CCCSCSC 62a_100000210303_100011218213 [1,0,0,0,0,0|1,0,2]=4 500 B6R0.6 CCCSCSC 62a_100011218213_100000210303 [1,0,0,0,0,0|1,0,2]=4 501 B6R0.6 COCSCC=O 62a_100000766300_200015260668 [1,0,0,0,0,0|2,0,1]=4 502 B6R0.6 COCSCC=O 62a_200015260668_100000766300 [1,0,0,0,0,0|2,0,1]=4 503 B6R0.6 CSCSCC=O 62a_100011218213_200015260668 [1,0,0,0,0,0|2,0,1]=4 504 B6R0.6 CSCSCC=O 62a_200015260668_100011218213 [1,0,0,0,0,0|2,0,1]=4 505 B6R0.6 O=CCSCCF 62a_100011217306_200015260668 [1,0,0,0,0,0|2,0,1]=4 506 B6R0.6 O=CCSCCF 62a_200015260668_100011217306 [1,0,0,0,0,0|2,0,1]=4 507 B6R0.6 O=CCSCCO 62a_100000211926_200015260668 [1,0,0,0,0,0|2,0,1]=4 508 B6R0.6 O=CCSCCO 62a_200015260668_100000211926 [1,0,0,0,0,0|2,0,1]=4 509 B8R0.1 C#CCC(=O)C=CC=C 1458a_100016291481_100000184674 [0,1,0,0,0,0|1,0,2]=4 510 B8R0.1 C#CCC(=O)CCC=C 1458a_100000749702_100000184674 [0,1,0,0,0,0|1,0,1]=3 511 B8R0.1 C#CCC(=O)CCC=C 1458a_100011220946_100000754431 [0,1,0,0,0,0|1,0,1]=3 512 B8R0.1 C#CCC(=O)NCC=C 1626a_100020586998_100011220946 [0,1,0,0,0,0|1,0,1]=3 513 B8R0.1 C#CCC(=O)NCC=C 527a_100020586998_100011220946 [0,1,0,0,0,0|1,0,1]=3 514 B8R0.1 C#CCCC(=O)CCC 1458a_100000211992_100000753159 [0,1,0,0,0,0|1,0,2]=4 515 B8R0.1 C#CCCC(=O)CCC 1458a_100000692101_100000210303 [0,1,0,0,0,0|1,0,2]=4 516 B8R0.1 C#CCCC(=O)CCF 1458a_100000692101_100011217306 [0,1,0,0,0,0|1,0,2]=4 517 B8R0.1 C#CCCC(=O)CCO 1458a_100000692101_100000211926 [0,1,0,0,0,0|1,0,2]=4 518 B8R0.1 C#CCCC(=O)CCO 1458a_100011216618_100000753159 [0,1,0,0,0,0|1,0,2]=4 519 B8R0.1 C#CCCC(=O)COC 1458a_100000210968_100000753159 [0,1,0,0,0,0|1,0,2]=4 520 B8R0.1 C#CCCC(=O)CSC 1458a_100000184570_100000753159 [0,1,0,0,0,0|1,0,2]=4 521 B8R0.1 C#CCCC(=O)NCC 11a_100015525214_100000692101 [0,1,0,0,0,0|1,0,2]=4 522 B8R0.1 C#CCCC(=O)NCC 240690a_100015525214_100000692101 [0,1,0,0,0,0|1,0,2]=4 523 B8R0.1 C#CCCC(=O)NCC 527a_100015525214_100000692101 [0,1,0,0,0,0|1,0,2]=4 524 B8R0.1 C#CCNC(=O)CCC 11a_100000212058_100000211992 [0,1,0,0,0,0|1,0,2]=4 525 B8R0.1 C#CCNC(=O)CCC 1626a_100000212058_100000211992 [0,1,0,0,0,0|1,0,2]=4 526 B8R0.1 C#CCNC(=O)CCC 240690a_100000212058_100000211992 [0,1,0,0,0,0|1,0,2]=4 527 B8R0.1 C#CCNC(=O)CCC 527a_100000212058_100000211992 [0,1,0,0,0,0|1,0,2]=4 528 B8R0.1 C#CCNC(=O)CCO 240690a_100000212058_100011216618 [0,1,0,0,0,0|1,0,2]=4 529 B8R0.1 C#CCNC(=O)CNC 2230a_100000747989_200000210301 [0,1,0,0,0,0|1,0,2]=4 530 B8R0.1 C#CCNC(=O)CNC 34a_100000747989_200000210301 [0,1,0,0,0,0|1,0,2]=4 531 B8R0.1 C#CCNC(=O)CN[13CH3] 2230a_100000747989_200025704644 [0,1,0,0,0,0|1,0,2]=4 532 B8R0.1 C#CCNC(=O)CN[13CH3] 34a_100000747989_200025704644 [0,1,0,0,0,0|1,0,2]=4 533 B8R0.1 C#CCNC(=O)COC 11a_100000212058_100000210968 [0,1,0,0,0,0|1,0,2]=4 534 B8R0.1 C#CCNC(=O)COC 1626a_100000212058_100000210968 [0,1,0,0,0,0|1,0,2]=4 535 B8R0.1 C#CCNC(=O)COC 240690a_100000212058_100000210968 [0,1,0,0,0,0|1,0,2]=4 536 B8R0.1 C#CCNC(=O)COC 527a_100000212058_100000210968 [0,1,0,0,0,0|1,0,2]=4 537 B8R0.1 C#CCNC(=O)CSC 11a_100000212058_100000184570 [0,1,0,0,0,0|1,0,2]=4 538 B8R0.1 C#CCNC(=O)CSC 1626a_100000212058_100000184570 [0,1,0,0,0,0|1,0,2]=4 539 B8R0.1 C#CCNC(=O)CSC 240690a_100000212058_100000184570 [0,1,0,0,0,0|1,0,2]=4 540 B8R0.1 C#CCNC(=O)CSC 527a_100000212058_100000184570 [0,1,0,0,0,0|1,0,2]=4 541 B8R0.1 C#CCNC(=O)NCC 2708a_100000212058_100015525214 [0,1,0,0,0,0|1,0,2]=4 542 B8R0.1 C#CCNC(=O)NCC 2708a_100015525214_100000212058 [0,1,0,0,0,0|1,0,2]=4 543 B8R0.1 C#CCNC(=O)NCC 273464a_100000212058_100015525214 [0,1,0,0,0,0|1,0,2]=4 544 B8R0.1 C#CCNC(=O)NCC 273464a_100015525214_100000212058 [0,1,0,0,0,0|1,0,2]=4 545 B8R0.1 C#CCNC(=O)NCC 512a_100000212058_100015525214 [0,1,0,0,0,0|1,0,2]=4 546 B8R0.1 C#CCNC(=O)NCC 512a_100015525214_100000212058 [0,1,0,0,0,0|1,0,2]=4 547 B8R0.1 C/C=C/CC(=O)CCC 1458a_100000211992_100102629194 [0,1,0,0,0,0|1,0,2]=4 548 B8R0.1 C/C=C/CC(=O)CCO 1458a_100011216618_100102629194 [0,1,0,0,0,0|1,0,2]=4 549 B8R0.1 C/C=C/CC(=O)COC 1458a_100000210968_100102629194 [0,1,0,0,0,0|1,0,2]=4 550 B8R0.1 C/C=C/CC(=O)CSC 1458a_100000184570_100102629194 [0,1,0,0,0,0|1,0,2]=4 551 B8R0.1 C=CC=CC(=O)CC#N 1458a_100016291481_100011214920 [0,1,0,0,0,0|1,0,2]=4 552 B8R0.1 C=CC=CC(=O)CC=C 1458a_100016291481_100000210623 [0,1,0,0,0,0|1,0,2]=4 553 B8R0.1 C=CC=CC(=O)CCC 1458a_100016291481_100000210303 [0,1,0,0,0,0|1,0,1]=3 554 B8R0.1 C=CC=CC(=O)CCF 1458a_100016291481_100011217306 [0,1,0,0,0,0|1,0,1]=3 555 B8R0.1 C=CC=CC(=O)CCO 1458a_100016291481_100000211926 [0,1,0,0,0,0|1,0,1]=3 556 B8R0.1 C=CC=CC(=O)NNC 22a_100016993582_100016291481 [0,1,0,0,0,0|2,0,1]=4 557 B8R0.1 C=CCCC(=O)C#CC 1458a_100000763181_100000754431 [0,1,0,0,0,0|1,0,1]=3 558 B8R0.1 C=CCCC(=O)C=CBr 1458a_100016273825_100000754431 [0,1,0,0,0,0|1,0,2]=4 559 B8R0.1 C=CCCC(=O)C=CC 1458a_100000210699_100000754431 [0,1,0,0,0,0|1,0,1]=3 560 B8R0.1 C=CCCC(=O)C=CCl 1458a_200016279998_100000754431 [0,1,0,0,0,0|1,0,2]=4 561 B8R0.1 C=CCCC(=O)C=CI 1458a_100016256311_100000754431 [0,1,0,0,0,0|1,0,2]=4 562 B8R0.1 C=CCCC(=O)CC#N 1458a_100000749702_100011214920 [0,1,0,0,0,0|1,0,1]=3 563 B8R0.1 C=CCCC(=O)CC#N 1458a_100051588842_100000754431 [0,1,0,0,0,0|1,0,1]=3 564 B8R0.1 C=CCCC(=O)CC=C 1458a_100000210193_100000754431 [0,1,0,0,0,0|1,0,1]=3 565 B8R0.1 C=CCCC(=O)CC=C 1458a_100000749702_100000210623 [0,1,0,0,0,0|1,0,1]=3 566 B8R0.1 C=CCCC(=O)CCC 1458a_100000211992_100000754431 [0,1,0,0,0,0|1,0,0]=2 567 B8R0.1 C=CCCC(=O)CCC 1458a_100000749702_100000210303 [0,1,0,0,0,0|1,0,0]=2 568 B8R0.1 C=CCCC(=O)CCF 1458a_100000749702_100011217306 [0,1,0,0,0,0|1,0,0]=2 569 B8R0.1 C=CCCC(=O)CCO 1458a_100000749702_100000211926 [0,1,0,0,0,0|1,0,0]=2 570 B8R0.1 C=CCCC(=O)CCO 1458a_100011216618_100000754431 [0,1,0,0,0,0|1,0,0]=2 571 B8R0.1 C=CCCC(=O)COC 1458a_100000210968_100000754431 [0,1,0,0,0,0|1,0,0]=2 572 B8R0.1 C=CCCC(=O)CSC 1458a_100000184570_100000754431 [0,1,0,0,0,0|1,0,0]=2 573 B8R0.1 C=CCCC(=O)NCC 11a_100015525214_100000749702 [0,1,0,0,0,0|1,0,0]=2 574 B8R0.1 C=CCCC(=O)NCC 240690a_100015525214_100000749702 [0,1,0,0,0,0|1,0,0]=2 575 B8R0.1 C=CCCC(=O)NCC 527a_100015525214_100000749702 [0,1,0,0,0,0|1,0,0]=2 576 B8R0.1 C=CCCC(=O)NNC 22a_100016993582_100000749702 [0,1,0,0,0,0|2,0,0]=3 577 B8R0.1 C=CCCC(C)NCC 270004a_100015525214_100000762624 [0,1,0,0,0,0|2,0,1]=4 578 B8R0.1 C=CCCC(C)OCC 34a_100000765329_100000210202 [0,1,0,0,0,0|2,0,1]=4 579 B8R0.1 C=CCCC(C)OCC 7a_100000765329_100000210202 [0,1,0,0,0,0|2,0,1]=4 580 B8R0.1 C=CCCN(C)CCC 2230a_100000747261_100000754431 [0,1,0,0,0,0|3,0,0]=4 581 B8R0.1 C=CCCN(C)CCC 2230a_100020639649_100000210303 [0,1,0,0,0,0|3,0,0]=4 582 B8R0.1 C=CCCN(C)CCC 269982a_100000747261_100000754431 [0,1,0,0,0,0|3,0,0]=4 583 B8R0.1 C=CCCN(C)CCC 269982a_100020639649_100000210303 [0,1,0,0,0,0|3,0,0]=4 584 B8R0.1 C=CCCN(C)CCF 2230a_100020639649_100011217306 [0,1,0,0,0,0|3,0,0]=4 585 B8R0.1 C=CCCN(C)CCF 269982a_100020639649_100011217306 [0,1,0,0,0,0|3,0,0]=4 586 B8R0.1 C=CCCN(C)CCO 2230a_100000210263_100000754431 [0,1,0,0,0,0|3,0,0]=4 587 B8R0.1 C=CCCN(C)CCO 2230a_100020639649_100000211926 [0,1,0,0,0,0|3,0,0]=4 588 B8R0.1 C=CCCN(C)CCO 269982a_100000210263_100000754431 [0,1,0,0,0,0|3,0,0]=4 589 B8R0.1 C=CCCN(C)CCO 269982a_100020639649_100000211926 [0,1,0,0,0,0|3,0,0]=4 590 B8R0.1 C=CCCN(C)COC 2230a_100020639649_100000766300 [0,1,0,0,0,0|3,0,0]=4 591 B8R0.1 C=CCCN(C)COC 269982a_100020639649_100000766300 [0,1,0,0,0,0|3,0,0]=4 592 B8R0.1 C=CCCN(C)CSC 2230a_100020639649_100011218213 [0,1,0,0,0,0|3,0,0]=4 593 B8R0.1 C=CCCN(C)CSC 269982a_100020639649_100011218213 [0,1,0,0,0,0|3,0,0]=4 594 B8R0.1 C=CCNC(=O)C=CBr 1626a_100020586998_100016273825 [0,1,0,0,0,0|1,0,2]=4 595 B8R0.1 C=CCNC(=O)C=CBr 240690a_100020586998_100016273825 [0,1,0,0,0,0|1,0,2]=4 596 B8R0.1 C=CCNC(=O)C=CC 1626a_100020586998_100000210699 [0,1,0,0,0,0|1,0,1]=3 597 B8R0.1 C=CCNC(=O)C=CC 240690a_100020586998_100000210699 [0,1,0,0,0,0|1,0,1]=3 598 B8R0.1 C=CCNC(=O)C=CCl 1626a_100020586998_200016279998 [0,1,0,0,0,0|1,0,2]=4 599 B8R0.1 C=CCNC(=O)C=CCl 240690a_100020586998_200016279998 [0,1,0,0,0,0|1,0,2]=4 600 B8R0.1 C=CCNC(=O)C=CI 1626a_100020586998_100016256311 [0,1,0,0,0,0|1,0,2]=4 601 B8R0.1 C=CCNC(=O)CC#N 1626a_100020586998_100051588842 [0,1,0,0,0,0|1,0,1]=3 602 B8R0.1 C=CCNC(=O)CC#N 240690a_100020586998_100051588842 [0,1,0,0,0,0|1,0,1]=3 603 B8R0.1 C=CCNC(=O)CC=C 1626a_100020586998_100000210193 [0,1,0,0,0,0|1,0,1]=3 604 B8R0.1 C=CCNC(=O)CC=C 240690a_100020586998_100000210193 [0,1,0,0,0,0|1,0,1]=3 605 B8R0.1 C=CCNC(=O)CC=C 527a_100020586998_100000210193 [0,1,0,0,0,0|1,0,1]=3 606 B8R0.1 C=CCNC(=O)CCC 1626a_100020586998_100000211992 [0,1,0,0,0,0|1,0,0]=2 607 B8R0.1 C=CCNC(=O)CCC 240690a_100020586998_100000211992 [0,1,0,0,0,0|1,0,0]=2 608 B8R0.1 C=CCNC(=O)CCC 527a_100020586998_100000211992 [0,1,0,0,0,0|1,0,0]=2 609 B8R0.1 C=CCNC(=O)CCO 240690a_100020586998_100011216618 [0,1,0,0,0,0|1,0,0]=2 610 B8R0.1 C=CCNC(=O)CNC 2230a_106832991635_100000183597 [0,1,0,0,0,0|1,0,0]=2 611 B8R0.1 C=CCNC(=O)CNC 7a_106832991635_100000183597 [0,1,0,0,0,0|1,0,0]=2 612 B8R0.1 C=CCNC(=O)COC 1626a_100020586998_100000210968 [0,1,0,0,0,0|1,0,0]=2 613 B8R0.1 C=CCNC(=O)COC 240690a_100020586998_100000210968 [0,1,0,0,0,0|1,0,0]=2 614 B8R0.1 C=CCNC(=O)COC 527a_100020586998_100000210968 [0,1,0,0,0,0|1,0,0]=2 615 B8R0.1 C=CCNC(=O)CSC 1626a_100020586998_100000184570 [0,1,0,0,0,0|1,0,0]=2 616 B8R0.1 C=CCNC(=O)CSC 240690a_100020586998_100000184570 [0,1,0,0,0,0|1,0,0]=2 617 B8R0.1 C=CCNC(=O)CSC 527a_100020586998_100000184570 [0,1,0,0,0,0|1,0,0]=2 618 B8R0.1 C=CCNC(=O)CSC 62a_100000183597_200000210301 [0,1,0,0,0,0|1,0,0]=2 619 B8R0.1 C=CCNC(=O)CSC 62a_200000210301_100000183597 [0,1,0,0,0,0|1,0,0]=2 620 B8R0.1 C=CCNC(=O)CS[13CH3] 62a_100000183597_200025704644 [0,1,0,0,0,0|1,0,0]=2 621 B8R0.1 C=CCNC(=O)CS[13CH3] 62a_200025704644_100000183597 [0,1,0,0,0,0|1,0,0]=2 622 B8R0.1 C=CCNC(=O)NCC 2708a_100015525214_100020586998 [0,1,0,0,0,0|1,0,0]=2 623 B8R0.1 C=CCNC(=O)NCC 273464a_100015525214_100020586998 [0,1,0,0,0,0|1,0,0]=2 624 B8R0.1 C=CCNC(=O)NCC 273464a_100020586998_100015525214 [0,1,0,0,0,0|1,0,0]=2 625 B8R0.1 C=CCNC(=O)NCC 512a_100015525214_100020586998 [0,1,0,0,0,0|1,0,0]=2 626 B8R0.1 C=CCNC(=O)NCC 512a_100020586998_100015525214 [0,1,0,0,0,0|1,0,0]=2 627 B8R0.1 C=CCNC(=O)NNC 273464a_100020586998_100016993582 [0,1,0,0,0,0|2,0,0]=3 628 B8R0.1 C=CCNC(=O)NNC 512a_100016993582_100020586998 [0,1,0,0,0,0|2,0,0]=3 629 B8R0.1 C=CCNC(=O)NNC 512a_100020586998_100016993582 [0,1,0,0,0,0|2,0,0]=3 630 B8R0.1 C=CCNC(C)CCC 2230a_100000741246_100000210623 [0,1,0,0,0,0|2,0,1]=4 631 B8R0.1 C=CCNC(C)CCC 2230a_100020586998_100000766640 [0,1,0,0,0,0|2,0,1]=4 632 B8R0.1 C=CCNC(C)CCC 270004a_100020586998_100000211909 [0,1,0,0,0,0|2,0,1]=4 633 B8R0.1 C=CCNC(C)CCO 2230a_100020586998_100009893172 [0,1,0,0,0,0|2,0,1]=4 634 B8R0.1 C=CCNC(C)COC 2230a_100020586998_100000765312 [0,1,0,0,0,0|2,0,1]=4 635 B8R0.1 C=CCNC(C)COC 270004a_100020586998_100000749346 [0,1,0,0,0,0|2,0,1]=4 636 B8R0.1 C=CCNC(C)CSC 270004a_100020586998_100011216314 [0,1,0,0,0,0|2,0,1]=4 637 B8R0.1 C=CCN[C@H](C)CCO 2230a_100000706166_100000210623 [0,1,0,0,0,0|2,0,1]=4 638 B8R0.1 C=CCN[C@H](C)CCO 34a_100000706166_100015514636 [0,1,0,0,0,0|2,0,1]=4 639 B8R0.1 C=CCN[C@H](C)COC 2230a_100000764878_100000210623 [0,1,0,0,0,0|2,0,1]=4 640 B8R0.1 C=CCOC(=O)CNC 2230a_106832991635_100000033060 [0,1,0,0,0,0|0,1,0]=2 641 B8R0.1 C=CCOC(=O)CNC 34a_100102657272_100000033060 [0,1,0,0,0,0|0,1,0]=2 642 B8R0.1 C=CCOC(=O)CNC 7a_106832991635_100000033060 [0,1,0,0,0,0|0,1,0]=2 643 B8R0.1 C=CCOC(=O)COC 34a_100138415774_100000033060 [0,1,0,0,0,0|0,1,0]=2 644 B8R0.1 C=CCOC(=O)CSC 62a_100000033060_200000210301 [0,1,0,0,0,0|0,1,0]=2 645 B8R0.1 C=CCOC(=O)CSC 62a_200000210301_100000033060 [0,1,0,0,0,0|0,1,0]=2 646 B8R0.1 C=CCOC(=O)CS[13CH3] 62a_100000033060_200025704644 [0,1,0,0,0,0|0,1,0]=2 647 B8R0.1 C=CCOC(=O)CS[13CH3] 62a_200025704644_100000033060 [0,1,0,0,0,0|0,1,0]=2 648 B8R0.1 C=CCOC(C)CCBr 34a_100012276601_100015514636 [0,1,0,0,0,0|1,1,1]=4 649 B8R0.1 C=CCOC(C)CCC 34a_100000764384_100015514636 [0,1,0,0,0,0|1,1,1]=4 650 B8R0.1 C=CCOC(C)CCC 34a_200000210373_100000766640 [0,1,0,0,0,0|1,1,1]=4 651 B8R0.1 C=CCOC(C)CCC 7a_100000764384_100015514636 [0,1,0,0,0,0|1,1,1]=4 652 B8R0.1 C=CCOC(C)CCO 34a_200000210373_100009893172 [0,1,0,0,0,0|1,1,1]=4 653 B8R0.1 C=CCOC(C)COC 34a_200000210373_100000765312 [0,1,0,0,0,0|1,1,1]=4 654 B8R0.1 C=CCO[C@H](C)COC 34a_100011934205_100015514636 [0,1,0,0,0,0|1,1,1]=4 655 B8R0.1 C=CCSC(C)CC#N 62a_100000210623_100009813641 [0,1,0,0,0,0|1,0,2]=4 656 B8R0.1 C=CCSC(C)CC#N 62a_100009813641_100000210623 [0,1,0,0,0,0|1,0,2]=4 657 B8R0.1 C=CCSC(C)CCC 62a_100000210623_100000766640 [0,1,0,0,0,0|1,0,1]=3 658 B8R0.1 C=CCSC(C)CCC 62a_100000766640_100000210623 [0,1,0,0,0,0|1,0,1]=3 659 B8R0.1 C=CCSC(C)CCO 62a_100000210623_100009893172 [0,1,0,0,0,0|1,0,1]=3 660 B8R0.1 C=CCSC(C)CCO 62a_100009893172_100000210623 [0,1,0,0,0,0|1,0,1]=3 661 B8R0.1 C=CCSC(C)COC 62a_100000210623_100000765312 [0,1,0,0,0,0|1,0,1]=3 662 B8R0.1 C=CCSC(C)COC 62a_100000765312_100000210623 [0,1,0,0,0,0|1,0,1]=3 663 B8R0.1 CC(CCO)SCC=O 62a_100009893172_200015260668 [0,1,0,0,0,0|2,0,1]=4 664 B8R0.1 CC(CCO)SCC=O 62a_200015260668_100009893172 [0,1,0,0,0,0|2,0,1]=4 665 B8R0.1 CC=CCC(=O)CCC 1458a_100000211992_100000070051 [0,1,0,0,0,0|1,0,2]=4 666 B8R0.1 CC=CCC(=O)CCC 1458a_100121576822_100000210303 [0,1,0,0,0,0|1,0,2]=4 667 B8R0.1 CC=CCC(=O)CCF 1458a_100121576822_100011217306 [0,1,0,0,0,0|1,0,2]=4 668 B8R0.1 CC=CCC(=O)CCO 1458a_100011216618_100000070051 [0,1,0,0,0,0|1,0,2]=4 669 B8R0.1 CC=CCC(=O)CCO 1458a_100121576822_100000211926 [0,1,0,0,0,0|1,0,2]=4 670 B8R0.1 CC=CCC(=O)COC 1458a_100000210968_100000070051 [0,1,0,0,0,0|1,0,2]=4 671 B8R0.1 CC=CCC(=O)CSC 1458a_100000184570_100000070051 [0,1,0,0,0,0|1,0,2]=4 672 B8R0.1 CC=CCC(=O)NCC 11a_100015525214_100121576822 [0,1,0,0,0,0|1,0,2]=4 673 B8R0.1 CC=CCC(=O)NCC 240690a_100015525214_100121576822 [0,1,0,0,0,0|1,0,2]=4 674 B8R0.1 CC=CCC(=O)NCC 527a_100015525214_100121576822 [0,1,0,0,0,0|1,0,2]=4 675 B8R0.1 CC=NNC(=O)CCC 4a_100000189770_200000210099 [0,1,0,0,0,0|2,0,1]=4 676 B8R0.1 CC=NNC(=O)COC 4a_100000216845_200000210099 [0,1,0,0,0,0|2,0,1]=4 677 B8R0.1 CCCC(=O)CCC#N 1458a_100000211992_100011215226 [0,1,0,0,0,0|2,0,1]=4 678 B8R0.1 CCCC(=O)CCC#N 1458a_100011934036_100000210303 [0,1,0,0,0,0|2,0,1]=4 679 B8R0.1 CCCC(=O)CCCF 1458a_100000211992_100011934791 [0,1,0,0,0,0|2,0,1]=4 680 B8R0.1 CCCC(=O)CCCO 1458a_100000211992_100011215043 [0,1,0,0,0,0|2,0,1]=4 681 B8R0.1 CCCC(=O)CCOC 1458a_100000211992_100000233755 [0,1,0,0,0,0|2,0,1]=4 682 B8R0.1 CCCC(=O)CCOC 1458a_100000749529_100000210303 [0,1,0,0,0,0|2,0,1]=4 683 B8R0.1 CCCC(=O)CCSC 1458a_100000174002_100000210303 [0,1,0,0,0,0|2,0,1]=4 684 B8R0.1 CCCC(=O)CCSC 1458a_100000211992_100000751147 [0,1,0,0,0,0|2,0,1]=4 685 B8R0.1 CCCC(=O)NCC#N 1626a_100000734998_100000211992 [0,1,0,0,0,0|2,0,1]=4 686 B8R0.1 CCCC(=O)NCC#N 527a_100000734998_100000211992 [0,1,0,0,0,0|2,0,1]=4 687 B8R0.1 CCCC(=O)NCCF 11a_100000724931_100000211992 [0,1,0,0,0,0|2,0,1]=4 688 B8R0.1 CCCC(=O)NCCF 1626a_100000724931_100000211992 [0,1,0,0,0,0|2,0,1]=4 689 B8R0.1 CCCC(=O)NCCF 240690a_100000724931_100000211992 [0,1,0,0,0,0|2,0,1]=4 690 B8R0.1 CCCC(=O)NCCF 527a_100000724931_100000211992 [0,1,0,0,0,0|2,0,1]=4 691 B8R0.1 CCCC(=O)NCCO 240690a_100000210304_100000211992 [0,1,0,0,0,0|2,0,1]=4 692 B8R0.1 CCCC(=O)NCCO 527a_100000210304_100000211992 [0,1,0,0,0,0|2,0,1]=4 693 B8R0.1 CCCC(=O)OCNC 2230a_106832991635_100000034017 [0,1,0,0,0,0|1,1,1]=4 694 B8R0.1 CCCC(=O)OCNC 34a_100102657272_100000034017 [0,1,0,0,0,0|1,1,1]=4 695 B8R0.1 CCCC(=O)OCOC 34a_100138415774_100000034017 [0,1,0,0,0,0|1,1,1]=4 696 B8R0.1 CCCC(=O)OCSC 62a_200000210301_100000034017 [0,1,0,0,0,0|1,1,1]=4 697 B8R0.1 CCCC(=O)OCS[13CH3] 62a_200025704644_100000034017 [0,1,0,0,0,0|1,1,1]=4 698 B8R0.1 CCCC(C)SCC=O 62a_100000766640_200015260668 [0,1,0,0,0,0|2,0,1]=4 699 B8R0.1 CCCC(C)SCC=O 62a_200015260668_100000766640 [0,1,0,0,0,0|2,0,1]=4 700 B8R0.1 CCCCC(=O)CCC 1458a_100000210183_100000210303 [0,1,0,0,0,0|1,0,2]=4 701 B8R0.1 CCCCC(=O)CCC 1458a_100000211992_100000210211 [0,1,0,0,0,0|1,0,2]=4 702 B8R0.1 CCCCC(=O)CCF 1458a_100000210183_100011217306 [0,1,0,0,0,0|1,0,2]=4 703 B8R0.1 CCCCC(=O)CCO 1458a_100000210183_100000211926 [0,1,0,0,0,0|1,0,2]=4 704 B8R0.1 CCCCC(=O)CCO 1458a_100011216618_100000210211 [0,1,0,0,0,0|1,0,2]=4 705 B8R0.1 CCCCC(=O)COC 1458a_100000210968_100000210211 [0,1,0,0,0,0|1,0,2]=4 706 B8R0.1 CCCCC(=O)CSC 1458a_100000184570_100000210211 [0,1,0,0,0,0|1,0,2]=4 707 B8R0.1 CCCCC(=O)NCC 11a_100015525214_100000210183 [0,1,0,0,0,0|1,0,2]=4 708 B8R0.1 CCCCC(=O)NCC 240690a_100015525214_100000210183 [0,1,0,0,0,0|1,0,2]=4 709 B8R0.1 CCCCC(=O)NCC 527a_100015525214_100000210183 [0,1,0,0,0,0|1,0,2]=4 710 B8R0.1 CCCNC(=O)CCC 11a_100020643023_100000211992 [0,1,0,0,0,0|1,0,2]=4 711 B8R0.1 CCCNC(=O)CCC 1626a_100020643023_100000211992 [0,1,0,0,0,0|1,0,2]=4 712 B8R0.1 CCCNC(=O)CCC 240690a_100020643023_100000211992 [0,1,0,0,0,0|1,0,2]=4 713 B8R0.1 CCCNC(=O)CCC 527a_100020643023_100000211992 [0,1,0,0,0,0|1,0,2]=4 714 B8R0.1 CCCNC(=O)CCO 240690a_100020643023_100011216618 [0,1,0,0,0,0|1,0,2]=4 715 B8R0.1 CCCNC(=O)CNC 2230a_100000174927_200000210301 [0,1,0,0,0,0|1,0,2]=4 716 B8R0.1 CCCNC(=O)CNC 2230a_106832991635_100000183358 [0,1,0,0,0,0|1,0,2]=4 717 B8R0.1 CCCNC(=O)CNC 34a_100102657272_100000183358 [0,1,0,0,0,0|1,0,2]=4 718 B8R0.1 CCCNC(=O)CNC 7a_106832991635_100000183358 [0,1,0,0,0,0|1,0,2]=4 719 B8R0.1 CCCNC(=O)CN[13CH3] 2230a_100000174927_200025704644 [0,1,0,0,0,0|1,0,2]=4 720 B8R0.1 CCCNC(=O)COC 11a_100020643023_100000210968 [0,1,0,0,0,0|1,0,2]=4 721 B8R0.1 CCCNC(=O)COC 1626a_100020643023_100000210968 [0,1,0,0,0,0|1,0,2]=4 722 B8R0.1 CCCNC(=O)COC 240690a_100020643023_100000210968 [0,1,0,0,0,0|1,0,2]=4 723 B8R0.1 CCCNC(=O)COC 34a_100138415774_100000183358 [0,1,0,0,0,0|1,0,2]=4 724 B8R0.1 CCCNC(=O)COC 527a_100020643023_100000210968 [0,1,0,0,0,0|1,0,2]=4 725 B8R0.1 CCCNC(=O)CSC 11a_100020643023_100000184570 [0,1,0,0,0,0|1,0,2]=4 726 B8R0.1 CCCNC(=O)CSC 1626a_100020643023_100000184570 [0,1,0,0,0,0|1,0,2]=4 727 B8R0.1 CCCNC(=O)CSC 240690a_100020643023_100000184570 [0,1,0,0,0,0|1,0,2]=4 728 B8R0.1 CCCNC(=O)CSC 527a_100020643023_100000184570 [0,1,0,0,0,0|1,0,2]=4 729 B8R0.1 CCCNC(=O)CSC 62a_100000183358_200000210301 [0,1,0,0,0,0|1,0,2]=4 730 B8R0.1 CCCNC(=O)CSC 62a_200000210301_100000183358 [0,1,0,0,0,0|1,0,2]=4 731 B8R0.1 CCCNC(=O)CS[13CH3] 62a_100000183358_200025704644 [0,1,0,0,0,0|1,0,2]=4 732 B8R0.1 CCCNC(=O)CS[13CH3] 62a_200025704644_100000183358 [0,1,0,0,0,0|1,0,2]=4 733 B8R0.1 CCCNC(=O)NCC 2708a_100015525214_100020643023 [0,1,0,0,0,0|1,0,2]=4 734 B8R0.1 CCCNC(=O)NCC 2708a_100020643023_100015525214 [0,1,0,0,0,0|1,0,2]=4 735 B8R0.1 CCCNC(=O)NCC 273464a_100015525214_100020643023 [0,1,0,0,0,0|1,0,2]=4 736 B8R0.1 CCCNC(=O)NCC 273464a_100020643023_100015525214 [0,1,0,0,0,0|1,0,2]=4 737 B8R0.1 CCCNC(=O)NCC 512a_100015525214_100020643023 [0,1,0,0,0,0|1,0,2]=4 738 B8R0.1 CCCNC(=O)NCC 512a_100020643023_100015525214 [0,1,0,0,0,0|1,0,2]=4 739 B8R0.1 CCCOC(=O)CNC 2230a_106832991635_200011215008 [0,1,0,0,0,0|0,1,2]=4 740 B8R0.1 CCCOC(=O)CNC 34a_100102657272_200011215008 [0,1,0,0,0,0|0,1,2]=4 741 B8R0.1 CCCOC(=O)CNC 7a_106832991635_200011215008 [0,1,0,0,0,0|0,1,2]=4 742 B8R0.1 CCCOC(=O)COC 34a_100138415774_200011215008 [0,1,0,0,0,0|0,1,2]=4 743 B8R0.1 CCCOC(=O)CSC 62a_200000210301_200011215008 [0,1,0,0,0,0|0,1,2]=4 744 B8R0.1 CCCOC(=O)CSC 62a_200011215008_200000210301 [0,1,0,0,0,0|0,1,2]=4 745 B8R0.1 CCCOC(=O)CS[13CH3] 62a_200011215008_200025704644 [0,1,0,0,0,0|0,1,2]=4 746 B8R0.1 CCCOC(=O)CS[13CH3] 62a_200025704644_200011215008 [0,1,0,0,0,0|0,1,2]=4 747 B8R0.1 CCNC(=O)CCC#N 11a_100015525214_100011934036 [0,1,0,0,0,0|2,0,1]=4 748 B8R0.1 CCNC(=O)CCC#N 240690a_100015525214_100011934036 [0,1,0,0,0,0|2,0,1]=4 749 B8R0.1 CCNC(=O)CCC#N 527a_100015525214_100011934036 [0,1,0,0,0,0|2,0,1]=4 750 B8R0.1 CCNC(=O)CCNC 2230a_106832991635_100000737597 [0,1,0,0,0,0|2,0,1]=4 751 B8R0.1 CCNC(=O)CCNC 34a_100025743525_200000210301 [0,1,0,0,0,0|2,0,1]=4 752 B8R0.1 CCNC(=O)CCNC 7a_106832991635_100000737597 [0,1,0,0,0,0|2,0,1]=4 753 B8R0.1 CCNC(=O)CCN[13CH3] 34a_100025743525_200025704644 [0,1,0,0,0,0|2,0,1]=4 754 B8R0.1 CCNC(=O)CCOC 11a_100015525214_100000749529 [0,1,0,0,0,0|2,0,1]=4 755 B8R0.1 CCNC(=O)CCOC 240690a_100015525214_100000749529 [0,1,0,0,0,0|2,0,1]=4 756 B8R0.1 CCNC(=O)CCOC 527a_100015525214_100000749529 [0,1,0,0,0,0|2,0,1]=4 757 B8R0.1 CCNC(=O)CCSC 11a_100015525214_100000174002 [0,1,0,0,0,0|2,0,1]=4 758 B8R0.1 CCNC(=O)CCSC 240690a_100015525214_100000174002 [0,1,0,0,0,0|2,0,1]=4 759 B8R0.1 CCNC(=O)CCSC 527a_100015525214_100000174002 [0,1,0,0,0,0|2,0,1]=4 760 B8R0.1 CCNC(=O)CCSC 62a_100000737597_200000210301 [0,1,0,0,0,0|2,0,1]=4 761 B8R0.1 CCNC(=O)CCSC 62a_200000210301_100000737597 [0,1,0,0,0,0|2,0,1]=4 762 B8R0.1 CCNC(=O)CCS[13CH3] 62a_100000737597_200025704644 [0,1,0,0,0,0|2,0,1]=4 763 B8R0.1 CCNC(=O)CCS[13CH3] 62a_200025704644_100000737597 [0,1,0,0,0,0|2,0,1]=4 764 B8R0.1 CCNC(=O)NCC#N 2708a_100000734998_100015525214 [0,1,0,0,0,0|2,0,1]=4 765 B8R0.1 CCNC(=O)NCC#N 273464a_100000734998_100015525214 [0,1,0,0,0,0|2,0,1]=4 766 B8R0.1 CCNC(=O)NCC#N 273464a_100015525214_100000734998 [0,1,0,0,0,0|2,0,1]=4 767 B8R0.1 CCNC(=O)NCC#N 512a_100000734998_100015525214 [0,1,0,0,0,0|2,0,1]=4 768 B8R0.1 CCNC(=O)NCC#N 512a_100015525214_100000734998 [0,1,0,0,0,0|2,0,1]=4 769 B8R0.1 CCNC(=O)NCCF 2708a_100015525214_100000724931 [0,1,0,0,0,0|2,0,1]=4 770 B8R0.1 CCNC(=O)NCCF 273464a_100000724931_100015525214 [0,1,0,0,0,0|2,0,1]=4 771 B8R0.1 CCNC(=O)NCCF 273464a_100015525214_100000724931 [0,1,0,0,0,0|2,0,1]=4 772 B8R0.1 CCNC(=O)NCCF 512a_100015525214_100000724931 [0,1,0,0,0,0|2,0,1]=4 773 B8R0.1 CCNC(=O)NCCO 2708a_100015525214_100000210304 [0,1,0,0,0,0|2,0,1]=4 774 B8R0.1 CCNC(=O)NCCO 273464a_100000210304_100015525214 [0,1,0,0,0,0|2,0,1]=4 775 B8R0.1 CCNC(=O)NCCO 273464a_100015525214_100000210304 [0,1,0,0,0,0|2,0,1]=4 776 B8R0.1 CCNC(=O)NCCO 512a_100015525214_100000210304 [0,1,0,0,0,0|2,0,1]=4 777 B8R0.1 CCOC(=O)CCNC 2230a_106832991635_100011206558 [0,1,0,0,0,0|2,0,1]=4 778 B8R0.1 CCOC(=O)CCNC 34a_100102657272_100000765890 [0,1,0,0,0,0|2,0,1]=4 779 B8R0.1 CCOC(=O)CCNC 7a_106832991635_100011206558 [0,1,0,0,0,0|2,0,1]=4 780 B8R0.1 CCOC(=O)CCOC 34a_100138415774_100000765890 [0,1,0,0,0,0|2,0,1]=4 781 B8R0.1 CCOC(=O)CCSC 62a_100000765890_200000210301 [0,1,0,0,0,0|2,0,1]=4 782 B8R0.1 CCOC(=O)CCSC 62a_200000210301_100000765890 [0,1,0,0,0,0|2,0,1]=4 783 B8R0.1 CCOC(=O)CCS[13CH3] 62a_100000765890_200025704644 [0,1,0,0,0,0|2,0,1]=4 784 B8R0.1 CCOC(=O)CCS[13CH3] 62a_200025704644_100000765890 [0,1,0,0,0,0|2,0,1]=4 785 B8R0.1 CCOC(=O)OCSC 62a_200000210301_100000075025 [0,1,0,0,0,0|1,1,1]=4 786 B8R0.1 CCOC(=O)OCS[13CH3] 62a_200025704644_100000075025 [0,1,0,0,0,0|1,1,1]=4 787 B8R0.1 CNCC(=O)NCC#N 2230a_106832991635_100000736037 [0,1,0,0,0,0|2,0,1]=4 788 B8R0.1 CNCC(=O)NCC#N 7a_106832991635_100000736037 [0,1,0,0,0,0|2,0,1]=4 789 B8R0.1 CNCC(=O)NCCF 2230a_100000725713_200000210301 [0,1,0,0,0,0|2,0,1]=4 790 B8R0.1 COCC(=O)CCC#N 1458a_100000210968_100011215226 [0,1,0,0,0,0|2,0,1]=4 791 B8R0.1 COCC(=O)CCCF 1458a_100000210968_100011934791 [0,1,0,0,0,0|2,0,1]=4 792 B8R0.1 COCC(=O)CCCO 1458a_100000210968_100011215043 [0,1,0,0,0,0|2,0,1]=4 793 B8R0.1 COCC(=O)CCSC 1458a_100000210968_100000751147 [0,1,0,0,0,0|2,0,1]=4 794 B8R0.1 COCC(=O)NCC#N 1626a_100000734998_100000210968 [0,1,0,0,0,0|2,0,1]=4 795 B8R0.1 COCC(=O)NCC#N 527a_100000734998_100000210968 [0,1,0,0,0,0|2,0,1]=4 796 B8R0.1 COCC(=O)NCCF 11a_100000724931_100000210968 [0,1,0,0,0,0|2,0,1]=4 797 B8R0.1 COCC(=O)NCCF 1626a_100000724931_100000210968 [0,1,0,0,0,0|2,0,1]=4 798 B8R0.1 COCC(=O)NCCF 240690a_100000724931_100000210968 [0,1,0,0,0,0|2,0,1]=4 799 B8R0.1 COCC(=O)NCCF 527a_100000724931_100000210968 [0,1,0,0,0,0|2,0,1]=4 800 B8R0.1 COCC(=O)NCCO 240690a_100000210304_100000210968 [0,1,0,0,0,0|2,0,1]=4 801 B8R0.1 COCC(=O)NCCO 527a_100000210304_100000210968 [0,1,0,0,0,0|2,0,1]=4 802 B8R0.1 COCC(C)SCC=O 62a_100000765312_200015260668 [0,1,0,0,0,0|2,0,1]=4 803 B8R0.1 COCC(C)SCC=O 62a_200015260668_100000765312 [0,1,0,0,0,0|2,0,1]=4 804 B8R0.1 COCCC(=O)CCF 1458a_100000749529_100011217306 [0,1,0,0,0,0|2,0,1]=4 805 B8R0.1 COCCC(=O)CCO 1458a_100000749529_100000211926 [0,1,0,0,0,0|2,0,1]=4 806 B8R0.1 COCCC(=O)CCO 1458a_100011216618_100000233755 [0,1,0,0,0,0|2,0,1]=4 807 B8R0.1 COCCC(=O)COC 1458a_100000210968_100000233755 [0,1,0,0,0,0|2,0,1]=4 808 B8R0.1 COCCC(=O)CSC 1458a_100000184570_100000233755 [0,1,0,0,0,0|2,0,1]=4 809 B8R0.1 CSCC(=O)CCC#N 1458a_100000184570_100011215226 [0,1,0,0,0,0|2,0,1]=4 810 B8R0.1 CSCC(=O)CCCF 1458a_100000184570_100011934791 [0,1,0,0,0,0|2,0,1]=4 811 B8R0.1 CSCC(=O)CCCO 1458a_100000184570_100011215043 [0,1,0,0,0,0|2,0,1]=4 812 B8R0.1 CSCC(=O)NCC#N 1626a_100000734998_100000184570 [0,1,0,0,0,0|2,0,1]=4 813 B8R0.1 CSCC(=O)NCC#N 527a_100000734998_100000184570 [0,1,0,0,0,0|2,0,1]=4 814 B8R0.1 CSCC(=O)NCC#N 62a_100000736037_200000210301 [0,1,0,0,0,0|2,0,1]=4 815 B8R0.1 CSCC(=O)NCC#N 62a_200000210301_100000736037 [0,1,0,0,0,0|2,0,1]=4 816 B8R0.1 CSCC(=O)NCCF 11a_100000724931_100000184570 [0,1,0,0,0,0|2,0,1]=4 817 B8R0.1 CSCC(=O)NCCF 1626a_100000724931_100000184570 [0,1,0,0,0,0|2,0,1]=4 818 B8R0.1 CSCC(=O)NCCF 240690a_100000724931_100000184570 [0,1,0,0,0,0|2,0,1]=4 819 B8R0.1 CSCC(=O)NCCF 527a_100000724931_100000184570 [0,1,0,0,0,0|2,0,1]=4 820 B8R0.1 CSCC(=O)NCCO 240690a_100000210304_100000184570 [0,1,0,0,0,0|2,0,1]=4 821 B8R0.1 CSCC(=O)NCCO 527a_100000210304_100000184570 [0,1,0,0,0,0|2,0,1]=4 822 B8R0.1 CSCCC(=O)CCF 1458a_100000174002_100011217306 [0,1,0,0,0,0|2,0,1]=4 823 B8R0.1 CSCCC(=O)CCO 1458a_100000174002_100000211926 [0,1,0,0,0,0|2,0,1]=4 824 B8R0.1 CSCCC(=O)CCO 1458a_100011216618_100000751147 [0,1,0,0,0,0|2,0,1]=4 825 B8R0.1 CSCCC(=O)CSC 1458a_100000184570_100000751147 [0,1,0,0,0,0|2,0,1]=4 826 B8R0.1 N#CCCC(=O)CCF 1458a_100011934036_100011217306 [0,1,0,0,0,0|2,0,1]=4 827 B8R0.1 N#CCCC(=O)CCO 1458a_100011216618_100011215226 [0,1,0,0,0,0|2,0,1]=4 828 B8R0.1 N#CCCC(=O)CCO 1458a_100011934036_100000211926 [0,1,0,0,0,0|2,0,1]=4 829 B8R0.1 O=C(CCO)CCCF 1458a_100011216618_100011934791 [0,1,0,0,0,0|2,0,1]=4 830 B8R0.1 O=C(CCO)CCCO 1458a_100011216618_100011215043 [0,1,0,0,0,0|2,0,1]=4 831 B8R0.1 O=C(CCO)NCCF 240690a_100000724931_100011216618 [0,1,0,0,0,0|2,0,1]=4 832 B8R0.1 O=C(CCO)NCCO 240690a_100000210304_100011216618 [0,1,0,0,0,0|2,0,1]=4 833 B8R0.1 [13CH3]NCC(=O)NCCF 2230a_100000725713_200025704644 [0,1,0,0,0,0|2,0,1]=4 834 B8R0.1 [13CH3]SCC(=O)NCC#N 62a_100000736037_200025704644 [0,1,0,0,0,0|2,0,1]=4 835 B8R0.1 [13CH3]SCC(=O)NCC#N 62a_200025704644_100000736037 [0,1,0,0,0,0|2,0,1]=4 836 B8R0.3 C#CCN(C)C(=O)CC 11a_100000225692_100000210414 [0,1,0,0,0,0|1,0,2]=4 837 B8R0.3 C#CCN(C)C(=O)CC 1626a_100000225692_100000210414 [0,1,0,0,0,0|1,0,2]=4 838 B8R0.3 C#CCN(C)C(=O)CC 527a_100000225692_100000210414 [0,1,0,0,0,0|1,0,2]=4 839 B8R0.3 C=CCC(=O)/C(=C/C)/C 1458a_100020587367_100000210623 [0,1,0,0,0,0|2,0,1]=4 840 B8R0.3 C=CCC(=O)C(=O)NC 1458a_100011218921_100000210623 [0,1,0,0,0,0|2,0,0]=3 841 B8R0.3 C=CCC(=O)C(C)CC 1458a_100000210193_100000758301 [0,1,0,0,0,0|2,0,1]=4 842 B8R0.3 C=CCC(=O)C(C)CC 1458a_100011192722_100000210623 [0,1,0,0,0,0|2,0,1]=4 843 B8R0.3 C=CCC(=O)C(O)CC 1458a_100011196387_100000210623 [0,1,0,0,0,0|1,0,2]=4 844 B8R0.3 C=CCC(=O)N(C)CC 11a_100000225621_100000210193 [0,1,0,0,0,0|3,0,0]=4 845 B8R0.3 C=CCC(=O)N(C)CC 1626a_100000225621_100000210193 [0,1,0,0,0,0|3,0,0]=4 846 B8R0.3 C=CCC(=O)N(C)CC 240690a_100000225621_100000210193 [0,1,0,0,0,0|3,0,0]=4 847 B8R0.3 C=CCC(=O)N(C)CC 527a_100000225621_100000210193 [0,1,0,0,0,0|3,0,0]=4 848 B8R0.3 C=CCC(C)C(=O)CC 1458a_100011216819_100000210202 [0,1,0,0,0,0|1,0,0]=2 849 B8R0.3 C=CCC(C)C(=O)CF 1458a_100011216819_100015361967 [0,1,0,0,0,0|2,0,0]=3 850 B8R0.3 C=CCC(C)C(=O)NC 11a_106832991635_100011216819 [0,1,0,0,0,0|2,0,0]=3 851 B8R0.3 C=CCC(C)C(=O)NC 1626a_100102657272_100011216819 [0,1,0,0,0,0|2,0,0]=3 852 B8R0.3 C=CCC(C)C(=O)NC 240690a_100102657272_100011216819 [0,1,0,0,0,0|2,0,0]=3 853 B8R0.3 C=CCC(C)C(=O)NC 527a_100102657272_100011216819 [0,1,0,0,0,0|2,0,0]=3 854 B8R0.3 C=CCN(C)C(=O)C=C 1626a_100000225617_100000185746 [0,1,0,0,0,0|1,0,2]=4 855 B8R0.3 C=CCN(C)C(=O)C=C 240690a_100000225617_200121576911 [0,1,0,0,0,0|1,0,2]=4 856 B8R0.3 C=CCN(C)C(=O)CC 11a_100000225617_100000210414 [0,1,0,0,0,0|1,0,0]=2 857 B8R0.3 C=CCN(C)C(=O)CC 1626a_100000225617_100000210414 [0,1,0,0,0,0|1,0,0]=2 858 B8R0.3 C=CCN(C)C(=O)CC 240690a_100000225617_100000210414 [0,1,0,0,0,0|1,0,0]=2 859 B8R0.3 C=CCN(C)C(=O)CC 527a_100000225617_100000210414 [0,1,0,0,0,0|1,0,0]=2 860 B8R0.3 C=CCN(C)C(=O)CO 240690a_100000225617_100000210174 [0,1,0,0,0,0|2,0,0]=3 861 B8R0.3 C=CCN(C)C(=O)CO 527a_100000225617_100000210174 [0,1,0,0,0,0|2,0,0]=3 862 B8R0.3 C=CCN(C)C(=O)NC 2708a_100102657272_100000225617 [0,1,0,0,0,0|2,0,0]=3 863 B8R0.3 C=CCN(C)C(=O)NC 273464a_100102657272_100000225617 [0,1,0,0,0,0|2,0,0]=3 864 B8R0.3 C=CCN(C)C(C)CC 2230a_100000225617_100000758301 [0,1,0,0,0,0|2,0,1]=4 865 B8R0.3 C=CCN(C)C(C)CC 2230a_100000741768_100000210623 [0,1,0,0,0,0|2,0,1]=4 866 B8R0.3 C=CCN(C)C(C)CC 269982a_100000225617_100000758301 [0,1,0,0,0,0|2,0,1]=4 867 B8R0.3 C=CCN(C)C(C)CC 269982a_100000741768_100000210623 [0,1,0,0,0,0|2,0,1]=4 868 B8R0.3 CCC(=O)C(C)CC#N 1458a_100000210414_100009813641 [0,1,0,0,0,0|2,0,1]=4 869 B8R0.3 CCC(=O)C(C)CCO 1458a_100000210414_100009893172 [0,1,0,0,0,0|2,0,1]=4 870 B8R0.3 CCC(=O)C(C)COC 1458a_100000210414_100000765312 [0,1,0,0,0,0|2,0,1]=4 871 B8R0.3 CCC(=O)C(C)COC 1458a_100000751857_100000210202 [0,1,0,0,0,0|2,0,1]=4 872 B8R0.3 CCC(=O)C(C)CSC 1458a_100000753918_100000210202 [0,1,0,0,0,0|2,0,1]=4 873 B8R0.3 CCC(=O)N(C)CC#N 11a_100000748184_100000210414 [0,1,0,0,0,0|2,0,1]=4 874 B8R0.3 CCC(=O)N(C)CC#N 1626a_100000748184_100000210414 [0,1,0,0,0,0|2,0,1]=4 875 B8R0.3 CCC(=O)N(C)CCO 240690a_100000210263_100000210414 [0,1,0,0,0,0|2,0,1]=4 876 B8R0.3 CCC(=O)N(C)CCO 527a_100000210263_100000210414 [0,1,0,0,0,0|2,0,1]=4 877 B8R0.3 CCCC(C)C(=O)CC 1458a_100000210414_100000766640 [0,1,0,0,0,0|1,0,2]=4 878 B8R0.3 CCCC(C)C(=O)CC 1458a_100000210906_100000210202 [0,1,0,0,0,0|1,0,2]=4 879 B8R0.3 CCCN(C)C(=O)CC 11a_100000747261_100000210414 [0,1,0,0,0,0|1,0,2]=4 880 B8R0.3 CCCN(C)C(=O)CC 1626a_100000747261_100000210414 [0,1,0,0,0,0|1,0,2]=4 881 B8R0.3 CCCN(C)C(=O)CC 240690a_100000747261_100000210414 [0,1,0,0,0,0|1,0,2]=4 882 B8R0.3 CCCN(C)C(=O)CC 527a_100000747261_100000210414 [0,1,0,0,0,0|1,0,2]=4 883 B8R0.3 CCC[C@H](O)C(=O)CC 1458a_100009822183_100000210202 [0,1,0,0,0,0|1,0,2]=4 884 B8R0.6 C#CC(=O)CCCC=C 1458a_100000211873_100000757094 [0,1,0,0,0,0|1,0,2]=4 885 B8R0.6 C#CC(=O)CCOC=C 1458a_100000211873_100000039644 [0,1,0,0,0,0|1,0,2]=4 886 B8R0.6 C#CCCCC(=O)CC 1458a_100000210414_100000731252 [0,1,0,0,0,0|1,0,2]=4 887 B8R0.6 C#CCCCC(=O)CC 1458a_100000690238_100000210202 [0,1,0,0,0,0|1,0,2]=4 888 B8R0.6 C#CCCNC(=O)CC 11a_100000755551_100000210414 [0,1,0,0,0,0|1,0,2]=4 889 B8R0.6 C#CCCNC(=O)CC 1626a_100000755551_100000210414 [0,1,0,0,0,0|1,0,2]=4 890 B8R0.6 C#CCCNC(=O)CC 240690a_100000755551_100000210414 [0,1,0,0,0,0|1,0,2]=4 891 B8R0.6 C#CCCNC(=O)CC 527a_100000755551_100000210414 [0,1,0,0,0,0|1,0,2]=4 892 B8R0.6 C#CCOCC(=O)CC 1458a_100011251226_100000210202 [0,1,0,0,0,0|0,1,2]=4 893 B8R0.6 C#CCOCC(=O)CC 34a_100000725409_100000184674 [0,1,0,0,0,0|0,1,2]=4 894 B8R0.6 C#CCSCC(=O)CC 62a_100000038162_100000747405 [0,1,0,0,0,0|0,0,2]=3 895 B8R0.6 C#CCSCC(=O)NC 62a_100000038162_100000183359 [0,1,0,0,0,0|1,0,2]=4 896 B8R0.6 C#CCSCC(=O)OC 62a_100000038162_100000747449 [0,1,0,0,0,0|1,0,2]=4 897 B8R0.6 C/C=C/C=CC(=O)CC 1458a_100000185730_100000210202 [0,1,0,0,0,0|1,0,1]=3 898 B8R0.6 C/C=C/C=CC(=O)CF 1458a_100000185730_100015361967 [0,1,0,0,0,0|2,0,1]=4 899 B8R0.6 C/C=C/C=CC(=O)NC 11a_106832991635_100000185730 [0,1,0,0,0,0|2,0,1]=4 900 B8R0.6 C/C=C/C=CC(=O)NC 1626a_100102657272_100000185730 [0,1,0,0,0,0|2,0,1]=4 901 B8R0.6 C/C=C/C=CC(=O)NC 240690a_100102657272_100000185730 [0,1,0,0,0,0|2,0,1]=4 902 B8R0.6 C/C=C/COC(C)CC 34a_100016270725_100011215416 [0,1,0,0,0,0|1,1,1]=4 903 B8R0.6 C/C=C/COC(C)CC 7a_100000210228_100102629194 [0,1,0,0,0,0|1,1,1]=4 904 B8R0.6 C/C=C/CSC(C)CC 62a_100000758301_100102629194 [0,1,0,0,0,0|1,0,1]=3 905 B8R0.6 C/C=C/CSC(C)CC 62a_100102629194_100000758301 [0,1,0,0,0,0|1,0,1]=3 906 B8R0.6 C/C=C/CSC(C)CO 62a_100012180447_100102629194 [0,1,0,0,0,0|2,0,1]=4 907 B8R0.6 C/C=C/CSC(C)OC 62a_100009879195_100102629194 [0,1,0,0,0,0|2,0,1]=4 908 B8R0.6 C/C=C/CSC(C)OC 62a_100102629194_100009879195 [0,1,0,0,0,0|2,0,1]=4 909 B8R0.6 C/C=C/CS[C@H](C)CO 62a_100016084084_100102629194 [0,1,0,0,0,0|2,0,1]=4 910 B8R0.6 C/C=C/CS[C@H](C)CO 62a_100102629194_100016084084 [0,1,0,0,0,0|2,0,1]=4 911 B8R0.6 C=CCCCC(=O)C=C 1458a_100000185746_100000757094 [0,1,0,0,0,0|1,0,2]=4 912 B8R0.6 C=CCCCC(=O)CC 1458a_100000210414_100000757094 [0,1,0,0,0,0|1,0,0]=2 913 B8R0.6 C=CCCCC(=O)CC 1458a_100000766728_100000210202 [0,1,0,0,0,0|1,0,0]=2 914 B8R0.6 C=CCCCC(=O)CF 1458a_100000766728_100015361967 [0,1,0,0,0,0|2,0,0]=3 915 B8R0.6 C=CCCCC(=O)CO 1458a_100000210174_100000757094 [0,1,0,0,0,0|2,0,0]=3 916 B8R0.6 C=CCCCC(=O)NC 11a_106832991635_100000766728 [0,1,0,0,0,0|2,0,0]=3 917 B8R0.6 C=CCCCC(=O)NC 1626a_100102657272_100000766728 [0,1,0,0,0,0|2,0,0]=3 918 B8R0.6 C=CCCCC(=O)NC 240690a_100102657272_100000766728 [0,1,0,0,0,0|2,0,0]=3 919 B8R0.6 C=CCCCC(=O)NC 527a_100102657272_100000766728 [0,1,0,0,0,0|2,0,0]=3 920 B8R0.6 C=CCCCN(C)CC 2230a_100000225621_100011713584 [0,1,0,0,0,0|3,0,0]=4 921 B8R0.6 C=CCCCN(C)CC 269982a_100000225621_100000757094 [0,1,0,0,0,0|3,0,0]=4 922 B8R0.6 C=CCCNC(=O)C=C 1626a_100015191253_100000185746 [0,1,0,0,0,0|1,0,2]=4 923 B8R0.6 C=CCCNC(=O)C=C 240690a_100015191253_200121576911 [0,1,0,0,0,0|1,0,2]=4 924 B8R0.6 C=CCCNC(=O)CC 11a_100015191253_100000210414 [0,1,0,0,0,0|1,0,0]=2 925 B8R0.6 C=CCCNC(=O)CC 1626a_100015191253_100000210414 [0,1,0,0,0,0|1,0,0]=2 926 B8R0.6 C=CCCNC(=O)CC 240690a_100015191253_100000210414 [0,1,0,0,0,0|1,0,0]=2 927 B8R0.6 C=CCCNC(=O)CC 527a_100015191253_100000210414 [0,1,0,0,0,0|1,0,0]=2 928 B8R0.6 C=CCCNC(=O)CO 240690a_100015191253_100000210174 [0,1,0,0,0,0|2,0,0]=3 929 B8R0.6 C=CCCNC(=O)CO 527a_100015191253_100000210174 [0,1,0,0,0,0|2,0,0]=3 930 B8R0.6 C=CCCNC(=O)NC 2708a_100015191253_106832991635 [0,1,0,0,0,0|2,0,0]=3 931 B8R0.6 C=CCCNC(=O)NC 2708a_100102657272_100015191253 [0,1,0,0,0,0|2,0,0]=3 932 B8R0.6 C=CCCNC(=O)NC 273464a_100015191253_100102657272 [0,1,0,0,0,0|2,0,0]=3 933 B8R0.6 C=CCCNC(=O)NC 273464a_100102657272_100015191253 [0,1,0,0,0,0|2,0,0]=3 934 B8R0.6 C=CCCNC(=O)NC 512a_100015191253_100102657272 [0,1,0,0,0,0|2,0,0]=3 935 B8R0.6 C=CCCNC(=O)NC 512a_106832991638_100015191253 [0,1,0,0,0,0|2,0,0]=3 936 B8R0.6 C=CCCNC(C)CC 2230a_100000209981_100000754431 [0,1,0,0,0,0|2,0,1]=4 937 B8R0.6 C=CCCNC(C)CC 2230a_100015191253_100000758301 [0,1,0,0,0,0|2,0,1]=4 938 B8R0.6 C=CCCOC(C)CC 34a_100011205117_100011215416 [0,1,0,0,0,0|1,1,1]=4 939 B8R0.6 C=CCCOC(C)CC 7a_100000210228_100000754431 [0,1,0,0,0,0|1,1,1]=4 940 B8R0.6 C=CCCSC(C)CC 62a_100000754431_100000758301 [0,1,0,0,0,0|1,0,1]=3 941 B8R0.6 C=CCCSC(C)CC 62a_100000758301_100000754431 [0,1,0,0,0,0|1,0,1]=3 942 B8R0.6 C=CCCSC(C)CO 62a_100012180447_100000754431 [0,1,0,0,0,0|2,0,1]=4 943 B8R0.6 C=CCCSC(C)OC 62a_100000754431_100009879195 [0,1,0,0,0,0|2,0,1]=4 944 B8R0.6 C=CCCSC(C)OC 62a_100009879195_100000754431 [0,1,0,0,0,0|2,0,1]=4 945 B8R0.6 C=CCCS[C@H](C)CO 62a_100000754431_100016084084 [0,1,0,0,0,0|2,0,1]=4 946 B8R0.6 C=CCCS[C@H](C)CO 62a_100016084084_100000754431 [0,1,0,0,0,0|2,0,1]=4 947 B8R0.6 C=CCNCC(=O)NC 2230a_100000693194_100000210623 [0,1,0,0,0,0|2,0,0]=3 948 B8R0.6 C=CCNCC(=O)NC 2230a_100020586998_100000183359 [0,1,0,0,0,0|2,0,0]=3 949 B8R0.6 C=CCNCC(=O)OC 2230a_100020586998_100000747449 [0,1,0,0,0,0|2,0,0]=3 950 B8R0.6 C=CCNCC(C)CC 2230a_100020586998_100000748023 [0,1,0,0,0,0|2,0,1]=4 951 B8R0.6 C=CCNCC(C)CC 2230a_100020588543_100000210623 [0,1,0,0,0,0|2,0,1]=4 952 B8R0.6 C=CCNCC(C)CC 270004a_100020586998_100000243153 [0,1,0,0,0,0|2,0,1]=4 953 B8R0.6 C=CCNCC(O)CC 2230a_100011218483_100000210623 [0,1,0,0,0,0|1,0,2]=4 954 B8R0.6 C=CCNCC(O)CC 2230a_100020586998_100011218378 [0,1,0,0,0,0|1,0,2]=4 955 B8R0.6 C=CCNC[C@@H](C)CC 2230a_100020586998_100009816398 [0,1,0,0,0,0|2,0,1]=4 956 B8R0.6 C=CCNNC(=O)C=C 22a_100020588587_100000185746 [0,1,0,0,0,0|1,0,2]=4 957 B8R0.6 C=CCNNC(=O)CC 22a_100020588587_100000210414 [0,1,0,0,0,0|1,0,0]=2 958 B8R0.6 C=CCNNC(=O)CO 22a_100020588587_100000210174 [0,1,0,0,0,0|2,0,0]=3 959 B8R0.6 C=CCNNC(=O)NC 273464a_100102657272_100020588587 [0,1,0,0,0,0|2,0,0]=3 960 B8R0.6 C=CCNNC(=O)NC 512a_100020588587_100102657272 [0,1,0,0,0,0|2,0,0]=3 961 B8R0.6 C=CCNNC(=O)NC 512a_106832991638_100020588587 [0,1,0,0,0,0|2,0,0]=3 962 B8R0.6 C=CCOCC(=O)CC 34a_100000725409_100015514636 [0,1,0,0,0,0|0,1,0]=2 963 B8R0.6 C=CCOCC(=O)NC 34a_100000750040_100015514636 [0,1,0,0,0,0|1,1,0]=3 964 B8R0.6 C=CCOCC(=O)NC 34a_200000210373_100000183359 [0,1,0,0,0,0|1,1,0]=3 965 B8R0.6 C=CCOCC(=O)OC 34a_200000210373_100000747449 [0,1,0,0,0,0|1,1,0]=3 966 B8R0.6 C=CCOCC(C)CC 34a_200000210373_100000748023 [0,1,0,0,0,0|1,1,1]=4 967 B8R0.6 C=CCOCC(O)CC 34a_200000210373_100011218378 [0,1,0,0,0,0|0,1,2]=4 968 B8R0.6 C=CCOC[C@@H](C)CC 34a_200000210373_100009816398 [0,1,0,0,0,0|1,1,1]=4 969 B8R0.6 C=CCOC[C@@H](C)CC 7a_100009816381_100015514636 [0,1,0,0,0,0|1,1,1]=4 970 B8R0.6 C=CCSCC(=C)C#N 62a_100000210623_100000694840 [0,1,0,0,0,0|2,0,1]=4 971 B8R0.6 C=CCSCC(=O)CC 1458a_100000230395_100000210202 [0,1,0,0,0,0|0,0,0]=1 972 B8R0.6 C=CCSCC(=O)CC 62a_100000210623_100000747405 [0,1,0,0,0,0|0,0,0]=1 973 B8R0.6 C=CCSCC(=O)CC 62a_100000747405_100000210623 [0,1,0,0,0,0|0,0,0]=1 974 B8R0.6 C=CCSCC(=O)CF 1458a_100000230395_100015361967 [0,1,0,0,0,0|1,0,0]=2 975 B8R0.6 C=CCSCC(=O)NC 11a_106832991635_100000230395 [0,1,0,0,0,0|1,0,0]=2 976 B8R0.6 C=CCSCC(=O)NC 1626a_100102657272_100000230395 [0,1,0,0,0,0|1,0,0]=2 977 B8R0.6 C=CCSCC(=O)NC 240690a_100102657272_100000230395 [0,1,0,0,0,0|1,0,0]=2 978 B8R0.6 C=CCSCC(=O)NC 527a_100102657272_100000230395 [0,1,0,0,0,0|1,0,0]=2 979 B8R0.6 C=CCSCC(=O)NC 62a_100000183359_100000210623 [0,1,0,0,0,0|1,0,0]=2 980 B8R0.6 C=CCSCC(=O)NC 62a_100000210623_100000183359 [0,1,0,0,0,0|1,0,0]=2 981 B8R0.6 C=CCSCC(=O)OC 62a_100000210623_100000747449 [0,1,0,0,0,0|1,0,0]=2 982 B8R0.6 C=CCSCC(=O)OC 62a_100000747449_100000210623 [0,1,0,0,0,0|1,0,0]=2 983 B8R0.6 C=CCSCC(C)CC 62a_100000210623_100000748023 [0,1,0,0,0,0|1,0,1]=3 984 B8R0.6 C=CCSCC(C)CC 62a_100000748023_100000210623 [0,1,0,0,0,0|1,0,1]=3 985 B8R0.6 C=CCSCC(O)CC 62a_100000210623_100011218378 [0,1,0,0,0,0|0,0,2]=3 986 B8R0.6 C=CCSCC(O)CC 62a_100011218378_100000210623 [0,1,0,0,0,0|0,0,2]=3 987 B8R0.6 C=CCSCC(O)CO 62a_100000210623_100011219619 [0,1,0,0,0,0|1,0,2]=4 988 B8R0.6 C=CCSCC(O)CO 62a_100011219619_100000210623 [0,1,0,0,0,0|1,0,2]=4 989 B8R0.6 C=CCSC[C@@H](C)CC 62a_100000210623_100009816398 [0,1,0,0,0,0|1,0,1]=3 990 B8R0.6 C=CCSC[C@@H](C)CC 62a_100009816398_100000210623 [0,1,0,0,0,0|1,0,1]=3 991 B8R0.6 C=CCSC[C@@H](C)CO 62a_100000059175_100000210623 [0,1,0,0,0,0|2,0,1]=4 992 B8R0.6 C=CCSC[C@@H](C)CO 62a_100000210623_100000059175 [0,1,0,0,0,0|2,0,1]=4 993 B8R0.6 C=CCSC[C@@H](O)CF 62a_100000210623_100015614560 [0,1,0,0,0,0|1,0,2]=4 994 B8R0.6 C=CCSC[C@@H](O)CF 62a_100015614560_100000210623 [0,1,0,0,0,0|1,0,2]=4 995 B8R0.6 C=CCSC[C@@H](O)CO 62a_100000210623_100009815848 [0,1,0,0,0,0|1,0,2]=4 996 B8R0.6 C=CCSC[C@@H](O)CO 62a_100009815848_100000210623 [0,1,0,0,0,0|1,0,2]=4 997 B8R0.6 C=COCCC(=O)C=C 1458a_100000185746_100000039644 [0,1,0,0,0,0|1,0,2]=4 998 B8R0.6 C=COCCC(=O)CC 1458a_100000210414_100000039644 [0,1,0,0,0,0|1,0,0]=2 999 B8R0.6 C=COCCC(=O)CO 1458a_100000210174_100000039644 [0,1,0,0,0,0|2,0,0]=3 1000 B8R0.6 C=COCCN(C)CC 2230a_100000225621_100000039644 [0,1,0,0,0,0|3,0,0]=4 1001 B8R0.6 C=COCCN(C)CC 269982a_100000225621_100000039644 [0,1,0,0,0,0|3,0,0]=4 1002 B8R0.6 CC#CCNC(=O)CC 11a_100000685387_100000210414 [0,1,0,0,0,0|1,0,2]=4 1003 B8R0.6 CC#CCNC(=O)CC 1626a_100000685387_100000210414 [0,1,0,0,0,0|1,0,2]=4 1004 B8R0.6 CC#CCNC(=O)CC 527a_100000685387_100000210414 [0,1,0,0,0,0|1,0,2]=4 1005 B8R0.6 CC/C=C/CC(=O)CC 1458a_100016274230_100000210202 [0,1,0,0,0,0|1,0,2]=4 1006 B8R0.6 CC/C=C\CC(=O)CC 1458a_100000210414_100103147603 [0,1,0,0,0,0|1,0,2]=4 1007 B8R0.6 CC=CCNC(C)CC 2230a_100000209981_100000070051 [0,1,0,0,0,0|2,0,1]=4 1008 B8R0.6 CC=CCOC(C)CC 7a_100000210228_100000070051 [0,1,0,0,0,0|1,1,1]=4 1009 B8R0.6 CC=CCSC(C)CC 62a_100000070051_100000758301 [0,1,0,0,0,0|1,0,1]=3 1010 B8R0.6 CC=CCSC(C)CC 62a_100000758301_100000070051 [0,1,0,0,0,0|1,0,1]=3 1011 B8R0.6 CC=CCSC(C)CO 62a_100012180447_100000070051 [0,1,0,0,0,0|2,0,1]=4 1012 B8R0.6 CC=CCSC(C)OC 62a_100000070051_100009879195 [0,1,0,0,0,0|2,0,1]=4 1013 B8R0.6 CC=CCSC(C)OC 62a_100009879195_100000070051 [0,1,0,0,0,0|2,0,1]=4 1014 B8R0.6 CC=CCS[C@H](C)CO 62a_100000070051_100016084084 [0,1,0,0,0,0|2,0,1]=4 1015 B8R0.6 CC=CCS[C@H](C)CO 62a_100016084084_100000070051 [0,1,0,0,0,0|2,0,1]=4 1016 B8R0.6 CCC(=O)C=CCOC 1458a_100016285016_100000210202 [0,1,0,0,0,0|2,0,1]=4 1017 B8R0.6 CCC(=O)CCCC#N 1458a_100000075515_100000210202 [0,1,0,0,0,0|1,0,2]=4 1018 B8R0.6 CCC(=O)CCCC#N 1458a_100000210414_100000211468 [0,1,0,0,0,0|1,0,2]=4 1019 B8R0.6 CCC(=O)CCCCF 1458a_100000210414_100000729493 [0,1,0,0,0,0|1,0,2]=4 1020 B8R0.6 CCC(=O)CCCCO 1458a_100000210414_100000210776 [0,1,0,0,0,0|1,0,2]=4 1021 B8R0.6 CCC(=O)CCCCO 1458a_100000695505_100000210202 [0,1,0,0,0,0|1,0,2]=4 1022 B8R0.6 CCC(=O)CCCOC 1458a_100000210414_100000740836 [0,1,0,0,0,0|1,0,2]=4 1023 B8R0.6 CCC(=O)CCCOC 1458a_100000741012_100000210202 [0,1,0,0,0,0|1,0,2]=4 1024 B8R0.6 CCC(=O)CCCSC 1458a_100000173376_100000210202 [0,1,0,0,0,0|1,0,2]=4 1025 B8R0.6 CCC(=O)CCN=[N+]=[N-] 1458a_100000688302_100000210202 [0,1,0,0,0,0|3,0,0]=4 1026 B8R0.6 CCC(=O)COCC=O 34a_100000725409_200009817547 [0,1,0,0,0,0|1,1,0]=3 1027 B8R0.6 CCC(=O)COCCF 34a_100000725409_100011217306 [0,1,0,0,0,0|1,1,1]=4 1028 B8R0.6 CCC(=O)COCCO 1458a_100000708028_100000210202 [0,1,0,0,0,0|1,1,1]=4 1029 B8R0.6 CCC(=O)COCCO 34a_100000725409_100000211926 [0,1,0,0,0,0|1,1,1]=4 1030 B8R0.6 CCC(=O)COCSC 34a_100000725409_100011218213 [0,1,0,0,0,0|1,1,1]=4 1031 B8R0.6 CCC(=O)CSCC#N 1458a_100000150266_100000210202 [0,1,0,0,0,0|1,0,1]=3 1032 B8R0.6 CCC(=O)CSCC#N 62a_100000747405_100011215382 [0,1,0,0,0,0|1,0,1]=3 1033 B8R0.6 CCC(=O)CSCC#N 62a_100011215382_100000747405 [0,1,0,0,0,0|1,0,1]=3 1034 B8R0.6 CCC(=O)CSCC=O 62a_100000747405_200015260668 [0,1,0,0,0,0|1,0,0]=2 1035 B8R0.6 CCC(=O)CSCC=O 62a_200015260668_100000747405 [0,1,0,0,0,0|1,0,0]=2 1036 B8R0.6 CCC(=O)CSCCF 62a_100000747405_100011217306 [0,1,0,0,0,0|1,0,1]=3 1037 B8R0.6 CCC(=O)CSCCF 62a_100011217306_100000747405 [0,1,0,0,0,0|1,0,1]=3 1038 B8R0.6 CCC(=O)CSCCO 62a_100000211926_100000747405 [0,1,0,0,0,0|1,0,1]=3 1039 B8R0.6 CCC(=O)CSCCO 62a_100000747405_100000211926 [0,1,0,0,0,0|1,0,1]=3 1040 B8R0.6 CCC(=O)CSCOC 62a_100000747405_100000766300 [0,1,0,0,0,0|1,0,1]=3 1041 B8R0.6 CCC(=O)CSCOC 62a_100000766300_100000747405 [0,1,0,0,0,0|1,0,1]=3 1042 B8R0.6 CCC(=O)CSCSC 62a_100000747405_100011218213 [0,1,0,0,0,0|1,0,1]=3 1043 B8R0.6 CCC(=O)CSCSC 62a_100011218213_100000747405 [0,1,0,0,0,0|1,0,1]=3 1044 B8R0.6 CCC(=O)NCCC#N 11a_100000720768_100000210414 [0,1,0,0,0,0|1,0,2]=4 1045 B8R0.6 CCC(=O)NCCC#N 1626a_100000720768_100000210414 [0,1,0,0,0,0|1,0,2]=4 1046 B8R0.6 CCC(=O)NCCC#N 240690a_100000720768_100000210414 [0,1,0,0,0,0|1,0,2]=4 1047 B8R0.6 CCC(=O)NCCC#N 527a_100000720768_100000210414 [0,1,0,0,0,0|1,0,2]=4 1048 B8R0.6 CCC(=O)NCCCF 11a_100015189416_100000210414 [0,1,0,0,0,0|1,0,2]=4 1049 B8R0.6 CCC(=O)NCCCF 1626a_100015189416_100000210414 [0,1,0,0,0,0|1,0,2]=4 1050 B8R0.6 CCC(=O)NCCCF 240690a_100015189416_100000210414 [0,1,0,0,0,0|1,0,2]=4 1051 B8R0.6 CCC(=O)NCCCF 527a_100015189416_100000210414 [0,1,0,0,0,0|1,0,2]=4 1052 B8R0.6 CCC(=O)NCCCO 240690a_100000182051_100000210414 [0,1,0,0,0,0|1,0,2]=4 1053 B8R0.6 CCC(=O)NCCCO 527a_100000182051_100000210414 [0,1,0,0,0,0|1,0,2]=4 1054 B8R0.6 CCC(=O)NCCNC 34a_100132302217_200000210301 [0,1,0,0,0,0|1,0,2]=4 1055 B8R0.6 CCC(=O)NCCN[13CH3] 34a_100132302217_200025704644 [0,1,0,0,0,0|1,0,2]=4 1056 B8R0.6 CCC(=O)NCCOC 1626a_100000209980_100000210414 [0,1,0,0,0,0|1,0,2]=4 1057 B8R0.6 CCC(=O)NCCOC 240690a_100000209980_100000210414 [0,1,0,0,0,0|1,0,2]=4 1058 B8R0.6 CCC(=O)NCCOC 34a_200000158885_200000210301 [0,1,0,0,0,0|1,0,2]=4 1059 B8R0.6 CCC(=O)NCCOC 527a_100000209980_100000210414 [0,1,0,0,0,0|1,0,2]=4 1060 B8R0.6 CCC(=O)NCCOC 7a_200000158885_200000210301 [0,1,0,0,0,0|1,0,2]=4 1061 B8R0.6 CCC(=O)NCCO[13CH3] 34a_200000158885_200025704644 [0,1,0,0,0,0|1,0,2]=4 1062 B8R0.6 CCC(=O)NCCO[13CH3] 7a_200000158885_200025704644 [0,1,0,0,0,0|1,0,2]=4 1063 B8R0.6 CCC(=O)NCCSC 11a_100020590264_100000210414 [0,1,0,0,0,0|1,0,2]=4 1064 B8R0.6 CCC(=O)NCCSC 1626a_100020590264_100000210414 [0,1,0,0,0,0|1,0,2]=4 1065 B8R0.6 CCC(=O)NCCSC 240690a_100020590264_100000210414 [0,1,0,0,0,0|1,0,2]=4 1066 B8R0.6 CCC(=O)NCCSC 527a_100020590264_100000210414 [0,1,0,0,0,0|1,0,2]=4 1067 B8R0.6 CCC(=O)NNCCO 22a_100000210001_100000210414 [0,1,0,0,0,0|2,0,1]=4 1068 B8R0.6 CCC(=O)OCCOC 7a_200000031056_200000210301 [0,1,0,0,0,0|0,1,2]=4 1069 B8R0.6 CCC(=O)OCCO[13CH3] 7a_200000031056_200025704644 [0,1,0,0,0,0|0,1,2]=4 1070 B8R0.6 CCC(C)CSCC=O 62a_100000748023_200015260668 [0,1,0,0,0,0|2,0,1]=4 1071 B8R0.6 CCC(C)CSCC=O 62a_200015260668_100000748023 [0,1,0,0,0,0|2,0,1]=4 1072 B8R0.6 CCC(O)CSCC=O 62a_100011218378_200015260668 [0,1,0,0,0,0|1,0,2]=4 1073 B8R0.6 CCC(O)CSCC=O 62a_200015260668_100011218378 [0,1,0,0,0,0|1,0,2]=4 1074 B8R0.6 CCC=NNC(=O)CC 4a_100000183195_100000210100 [0,1,0,0,0,0|2,0,1]=4 1075 B8R0.6 CCCC#CC(=O)CC 1458a_200011218047_100000210202 [0,1,0,0,0,0|1,0,2]=4 1076 B8R0.6 CCCC=CC(=O)CC 1458a_100000212230_100000210202 [0,1,0,0,0,0|1,0,2]=4 1077 B8R0.6 CCCCCC(=O)CC 1458a_100000210414_100000210326 [0,1,0,0,0,0|1,0,2]=4 1078 B8R0.6 CCCCCC(=O)CC 1458a_100000212188_100000210202 [0,1,0,0,0,0|1,0,2]=4 1079 B8R0.6 CCCCNC(=O)CC 11a_100000102301_100000210414 [0,1,0,0,0,0|1,0,2]=4 1080 B8R0.6 CCCCNC(=O)CC 1626a_100000102301_100000210414 [0,1,0,0,0,0|1,0,2]=4 1081 B8R0.6 CCCCNC(=O)CC 240690a_100000102301_100000210414 [0,1,0,0,0,0|1,0,2]=4 1082 B8R0.6 CCCCNC(=O)CC 527a_100000102301_100000210414 [0,1,0,0,0,0|1,0,2]=4 1083 B8R0.6 CCCNNC(=O)CC 22a_100000740057_100000210414 [0,1,0,0,0,0|1,0,2]=4 1084 B8R0.6 CCCOCC(=O)CC 1458a_100000745993_100000210202 [0,1,0,0,0,0|0,1,2]=4 1085 B8R0.6 CCCOCC(=O)CC 34a_100000725409_100000210303 [0,1,0,0,0,0|0,1,2]=4 1086 B8R0.6 CCCSCC(=O)CC 1458a_100000217233_100000210202 [0,1,0,0,0,0|0,0,2]=3 1087 B8R0.6 CCCSCC(=O)CC 62a_100000210303_100000747405 [0,1,0,0,0,0|0,0,2]=3 1088 B8R0.6 CCCSCC(=O)CC 62a_100000747405_100000210303 [0,1,0,0,0,0|0,0,2]=3 1089 B8R0.6 CCCSCC(=O)CF 1458a_100000217233_100015361967 [0,1,0,0,0,0|1,0,2]=4 1090 B8R0.6 CCCSCC(=O)NC 11a_106832991635_100000217233 [0,1,0,0,0,0|1,0,2]=4 1091 B8R0.6 CCCSCC(=O)NC 1626a_100102657272_100000217233 [0,1,0,0,0,0|1,0,2]=4 1092 B8R0.6 CCCSCC(=O)NC 240690a_100102657272_100000217233 [0,1,0,0,0,0|1,0,2]=4 1093 B8R0.6 CCCSCC(=O)NC 527a_100102657272_100000217233 [0,1,0,0,0,0|1,0,2]=4 1094 B8R0.6 CCCSCC(=O)NC 62a_100000183359_100000210303 [0,1,0,0,0,0|1,0,2]=4 1095 B8R0.6 CCCSCC(=O)NC 62a_100000210303_100000183359 [0,1,0,0,0,0|1,0,2]=4 1096 B8R0.6 CCCSCC(=O)OC 62a_100000210303_100000747449 [0,1,0,0,0,0|1,0,2]=4 1097 B8R0.6 CCCSCC(=O)OC 62a_100000747449_100000210303 [0,1,0,0,0,0|1,0,2]=4 1098 B8R0.6 CCOCCC(=O)CC 1458a_100000210414_100011215890 [0,1,0,0,0,0|1,0,2]=4 1099 B8R0.6 CCOCCC(=O)CC 1458a_100000749530_100000210202 [0,1,0,0,0,0|1,0,2]=4 1100 B8R0.6 CCSCCC(=O)CC 1458a_100000210414_100000757381 [0,1,0,0,0,0|1,0,2]=4 1101 B8R0.6 CCSCCC(=O)CC 1458a_100000230768_100000210202 [0,1,0,0,0,0|1,0,2]=4 1102 B8R0.6 CC[C@H](C)CSCC=O 62a_100009816398_200015260668 [0,1,0,0,0,0|2,0,1]=4 1103 B8R0.6 CC[C@H](C)CSCC=O 62a_200015260668_100009816398 [0,1,0,0,0,0|2,0,1]=4 1104 B8R0.6 CNC(=O)CNCC=O 2230a_100000693194_200015260668 [0,1,0,0,0,0|3,0,0]=4 1105 B8R0.6 CNC(=O)COCC=O 34a_100000750040_200009817547 [0,1,0,0,0,0|2,1,0]=4 1106 B8R0.6 CNC(=O)CSCC#N 11a_106832991635_100000150266 [0,1,0,0,0,0|2,0,1]=4 1107 B8R0.6 CNC(=O)CSCC#N 1626a_100102657272_100000150266 [0,1,0,0,0,0|2,0,1]=4 1108 B8R0.6 CNC(=O)CSCC#N 240690a_100102657272_100000150266 [0,1,0,0,0,0|2,0,1]=4 1109 B8R0.6 CNC(=O)CSCC#N 62a_100000183359_100011215382 [0,1,0,0,0,0|2,0,1]=4 1110 B8R0.6 CNC(=O)CSCC#N 62a_100011215382_100000183359 [0,1,0,0,0,0|2,0,1]=4 1111 B8R0.6 CNC(=O)CSCC=O 62a_100000183359_200015260668 [0,1,0,0,0,0|2,0,0]=3 1112 B8R0.6 CNC(=O)CSCC=O 62a_200015260668_100000183359 [0,1,0,0,0,0|2,0,0]=3 1113 B8R0.6 CNC(=O)CSCCF 62a_100000183359_100011217306 [0,1,0,0,0,0|2,0,1]=4 1114 B8R0.6 CNC(=O)CSCCF 62a_100011217306_100000183359 [0,1,0,0,0,0|2,0,1]=4 1115 B8R0.6 CNC(=O)CSCCO 62a_100000183359_100000211926 [0,1,0,0,0,0|2,0,1]=4 1116 B8R0.6 CNC(=O)CSCCO 62a_100000211926_100000183359 [0,1,0,0,0,0|2,0,1]=4 1117 B8R0.6 CNC(=O)CSCOC 62a_100000183359_100000766300 [0,1,0,0,0,0|2,0,1]=4 1118 B8R0.6 CNC(=O)CSCOC 62a_100000766300_100000183359 [0,1,0,0,0,0|2,0,1]=4 1119 B8R0.6 CNC(=O)CSCSC 62a_100000183359_100011218213 [0,1,0,0,0,0|2,0,1]=4 1120 B8R0.6 CNC(=O)CSCSC 62a_100011218213_100000183359 [0,1,0,0,0,0|2,0,1]=4 1121 B8R0.6 COC(=O)CSCC#N 62a_100000747449_100011215382 [0,1,0,0,0,0|2,0,1]=4 1122 B8R0.6 COC(=O)CSCC#N 62a_100011215382_100000747449 [0,1,0,0,0,0|2,0,1]=4 1123 B8R0.6 COC(=O)CSCC=O 62a_100000747449_200015260668 [0,1,0,0,0,0|2,0,0]=3 1124 B8R0.6 COC(=O)CSCC=O 62a_200015260668_100000747449 [0,1,0,0,0,0|2,0,0]=3 1125 B8R0.6 COC(=O)CSCCF 62a_100000747449_100011217306 [0,1,0,0,0,0|2,0,1]=4 1126 B8R0.6 COC(=O)CSCCF 62a_100011217306_100000747449 [0,1,0,0,0,0|2,0,1]=4 1127 B8R0.6 COC(=O)CSCCO 62a_100000211926_100000747449 [0,1,0,0,0,0|2,0,1]=4 1128 B8R0.6 COC(=O)CSCCO 62a_100000747449_100000211926 [0,1,0,0,0,0|2,0,1]=4 1129 B8R0.6 COC(=O)CSCSC 62a_100000747449_100011218213 [0,1,0,0,0,0|2,0,1]=4 1130 B8R0.6 COC(=O)CSCSC 62a_100011218213_100000747449 [0,1,0,0,0,0|2,0,1]=4 1131 B8R0.6 COCSCC(=O)OC 62a_100000747449_100000766300 [0,1,0,0,0,0|2,0,1]=4 1132 B8R0.6 COCSCC(=O)OC 62a_100000766300_100000747449 [0,1,0,0,0,0|2,0,1]=4 1133 B8R0.6 N#CCSCC(=O)CF 1458a_100000150266_100015361967 [0,1,0,0,0,0|2,0,1]=4 1134 B8R0.8 C#CCCC(=O)C(C)C 1458a_100000210198_100000753159 [0,1,0,0,0,0|1,0,2]=4 1135 B8R0.8 C#CCCC(=O)C(C)C 1458a_100000692101_100000210206 [0,1,0,0,0,0|1,0,2]=4 1136 B8R0.8 C#CCCC(=O)C(C)F 1458a_100000062450_100000753159 [0,1,0,0,0,0|1,0,2]=4 1137 B8R0.8 C#CCCC(=O)[C@@H](C)O 1458a_100000717761_100000753159 [0,1,0,0,0,0|1,0,2]=4 1138 B8R0.8 C#CCCC(=O)[C@H](C)O 1458a_217856618621_100000753159 [0,1,0,0,0,0|1,0,2]=4 1139 B8R0.8 C#CCNC(=O)C(C)C 11a_100000212058_100000210198 [0,1,0,0,0,0|1,0,2]=4 1140 B8R0.8 C#CCNC(=O)C(C)C 1626a_100000212058_100000210198 [0,1,0,0,0,0|1,0,2]=4 1141 B8R0.8 C#CCNC(=O)C(C)C 240690a_100000212058_100000210198 [0,1,0,0,0,0|1,0,2]=4 1142 B8R0.8 C#CCNC(=O)C(C)C 527a_100000212058_100000210198 [0,1,0,0,0,0|1,0,2]=4 1143 B8R0.8 C#CCNC(=O)C(C)F 11a_100000212058_100000062450 [0,1,0,0,0,0|1,0,2]=4 1144 B8R0.8 C#CCNC(=O)C(C)F 1626a_100000212058_100000062450 [0,1,0,0,0,0|1,0,2]=4 1145 B8R0.8 C#CCNC(=O)C(C)F 240690a_100000212058_100000062450 [0,1,0,0,0,0|1,0,2]=4 1146 B8R0.8 C#CCNC(=O)C(C)F 527a_100000212058_100000062450 [0,1,0,0,0,0|1,0,2]=4 1147 B8R0.8 C#CCNC(=O)[C@@H](C)O 240690a_100000212058_100000717761 [0,1,0,0,0,0|1,0,2]=4 1148 B8R0.8 C#CCNC(=O)[C@H](C)O 1626a_100000212058_217856618621 [0,1,0,0,0,0|1,0,2]=4 1149 B8R0.8 C#CCNC(=O)[C@H](C)O 240690a_100000212058_217856618621 [0,1,0,0,0,0|1,0,2]=4 1150 B8R0.8 C/C=C/CC(=O)C(C)C 1458a_100000210198_100102629194 [0,1,0,0,0,0|1,0,2]=4 1151 B8R0.8 C/C=C/CC(=O)C(C)F 1458a_100000062450_100102629194 [0,1,0,0,0,0|1,0,2]=4 1152 B8R0.8 C/C=C/CC(=O)[C@@H](C)O 1458a_100000717761_100102629194 [0,1,0,0,0,0|1,0,2]=4 1153 B8R0.8 C/C=C/CC(=O)[C@H](C)O 1458a_217856618621_100102629194 [0,1,0,0,0,0|1,0,2]=4 1154 B8R0.8 C=CC=CC(=O)C(C)C 1458a_100016291481_100000210206 [0,1,0,0,0,0|1,0,1]=3 1155 B8R0.8 C=CC=CC(=O)N(C)C 1626a_100102631434_100016291481 [0,1,0,0,0,0|2,0,1]=4 1156 B8R0.8 C=CCCC(=O)C(=C)C 1458a_100000185857_100000754431 [0,1,0,0,0,0|1,0,1]=3 1157 B8R0.8 C=CCCC(=O)C(C)C 1458a_100000210198_100000754431 [0,1,0,0,0,0|1,0,0]=2 1158 B8R0.8 C=CCCC(=O)C(C)C 1458a_100000749702_100000210206 [0,1,0,0,0,0|1,0,0]=2 1159 B8R0.8 C=CCCC(=O)C(C)F 1458a_100000062450_100000754431 [0,1,0,0,0,0|1,0,0]=2 1160 B8R0.8 C=CCCC(=O)C(O)O 1458a_100000233687_100000754431 [0,1,0,0,0,0|2,0,0]=3 1161 B8R0.8 C=CCCC(=O)N(C)C 11a_100102631434_100000749702 [0,1,0,0,0,0|2,0,0]=3 1162 B8R0.8 C=CCCC(=O)N(C)C 1626a_100102631434_100000749702 [0,1,0,0,0,0|2,0,0]=3 1163 B8R0.8 C=CCCC(=O)N(C)C 240690a_100102631434_100000749702 [0,1,0,0,0,0|2,0,0]=3 1164 B8R0.8 C=CCCC(=O)N(C)C 527a_100102631434_100000749702 [0,1,0,0,0,0|2,0,0]=3 1165 B8R0.8 C=CCCC(=O)[C@@H](C)O 1458a_100000717761_100000754431 [0,1,0,0,0,0|1,0,0]=2 1166 B8R0.8 C=CCCC(=O)[C@H](C)O 1458a_217856618621_100000754431 [0,1,0,0,0,0|1,0,0]=2 1167 B8R0.8 C=CCCN(C)C(C)C 2230a_100020639649_100000210206 [0,1,0,0,0,0|3,0,0]=4 1168 B8R0.8 C=CCCN(C)C(C)C 269982a_100020639649_100000210206 [0,1,0,0,0,0|3,0,0]=4 1169 B8R0.8 C=CCCN(C)C(C)C 269982a_200000211004_100000754431 [0,1,0,0,0,0|3,0,0]=4 1170 B8R0.8 C=CCNC(=O)C(=C)Br 1626a_100020586998_100009813364 [0,1,0,0,0,0|1,0,2]=4 1171 B8R0.8 C=CCNC(=O)C(=C)C 1626a_100020586998_100000185857 [0,1,0,0,0,0|1,0,1]=3 1172 B8R0.8 C=CCNC(=O)C(=C)Cl 1626a_100020586998_100000039160 [0,1,0,0,0,0|1,0,2]=4 1173 B8R0.8 C=CCNC(=O)C(=C)F 1626a_100020586998_100000036797 [0,1,0,0,0,0|1,0,2]=4 1174 B8R0.8 C=CCNC(=O)C(=O)N 240690a_100020586998_100011215815 [0,1,0,0,0,0|2,0,1]=4 1175 B8R0.8 C=CCNC(=O)C(C)C 1626a_100020586998_100000210198 [0,1,0,0,0,0|1,0,0]=2 1176 B8R0.8 C=CCNC(=O)C(C)C 240690a_100020586998_100000210198 [0,1,0,0,0,0|1,0,0]=2 1177 B8R0.8 C=CCNC(=O)C(C)C 527a_100020586998_100000210198 [0,1,0,0,0,0|1,0,0]=2 1178 B8R0.8 C=CCNC(=O)C(C)F 1626a_100020586998_100000062450 [0,1,0,0,0,0|1,0,0]=2 1179 B8R0.8 C=CCNC(=O)C(C)F 240690a_100020586998_100000062450 [0,1,0,0,0,0|1,0,0]=2 1180 B8R0.8 C=CCNC(=O)C(C)F 527a_100020586998_100000062450 [0,1,0,0,0,0|1,0,0]=2 1181 B8R0.8 C=CCNC(=O)C(F)F 1626a_100020586998_100000210393 [0,1,0,0,0,0|2,0,0]=3 1182 B8R0.8 C=CCNC(=O)C(F)F 240690a_100020586998_100000210393 [0,1,0,0,0,0|2,0,0]=3 1183 B8R0.8 C=CCNC(=O)C(F)F 527a_100020586998_100000210393 [0,1,0,0,0,0|2,0,0]=3 1184 B8R0.8 C=CCNC(=O)C(O)O 240690a_100020586998_100000233687 [0,1,0,0,0,0|2,0,0]=3 1185 B8R0.8 C=CCNC(=O)[C@@H](C)O 240690a_100020586998_100000717761 [0,1,0,0,0,0|1,0,0]=2 1186 B8R0.8 C=CCNC(=O)[C@H](C)O 1626a_100020586998_217856618621 [0,1,0,0,0,0|1,0,0]=2 1187 B8R0.8 C=CCNC(=O)[C@H](C)O 240690a_100020586998_217856618621 [0,1,0,0,0,0|1,0,0]=2 1188 B8R0.8 C=CCNC(C)C(C)C 2230a_100000211541_100000210623 [0,1,0,0,0,0|2,0,1]=4 1189 B8R0.8 C=CCOC(C)C(C)C 7a_100000748068_100015514636 [0,1,0,0,0,0|1,1,1]=4 1190 B8R0.8 C=CCSC(C)C(=O)C 1458a_100000230602_200000210301 [0,1,0,0,0,0|1,0,2]=4 1191 B8R0.8 C=CCSC(C)C(=O)C 62a_100000210623_100009814033 [0,1,0,0,0,0|1,0,2]=4 1192 B8R0.8 C=CCSC(C)C(=O)C 62a_100009814033_100000210623 [0,1,0,0,0,0|1,0,2]=4 1193 B8R0.8 C=CCSC(C)C(=O)[13CH3] 1458a_100000230602_200025704644 [0,1,0,0,0,0|1,0,2]=4 1194 B8R0.8 CC(C)C(=O)CCC#N 1458a_100000210198_100011215226 [0,1,0,0,0,0|2,0,1]=4 1195 B8R0.8 CC(C)C(=O)CCC#N 1458a_100011934036_100000210206 [0,1,0,0,0,0|2,0,1]=4 1196 B8R0.8 CC(C)C(=O)CCCF 1458a_100000210198_100011934791 [0,1,0,0,0,0|2,0,1]=4 1197 B8R0.8 CC(C)C(=O)CCCO 1458a_100000210198_100011215043 [0,1,0,0,0,0|2,0,1]=4 1198 B8R0.8 CC(C)C(=O)NCC#N 1626a_100000734998_100000210198 [0,1,0,0,0,0|2,0,1]=4 1199 B8R0.8 CC(C)C(=O)NCC#N 527a_100000734998_100000210198 [0,1,0,0,0,0|2,0,1]=4 1200 B8R0.8 CC(C)C(=O)NCCF 11a_100000724931_100000210198 [0,1,0,0,0,0|2,0,1]=4 1201 B8R0.8 CC(C)C(=O)NCCF 1626a_100000724931_100000210198 [0,1,0,0,0,0|2,0,1]=4 1202 B8R0.8 CC(C)C(=O)NCCF 240690a_100000724931_100000210198 [0,1,0,0,0,0|2,0,1]=4 1203 B8R0.8 CC(C)C(=O)NCCF 527a_100000724931_100000210198 [0,1,0,0,0,0|2,0,1]=4 1204 B8R0.8 CC(C)C(=O)NCCO 240690a_100000210304_100000210198 [0,1,0,0,0,0|2,0,1]=4 1205 B8R0.8 CC(C)C(=O)NCCO 527a_100000210304_100000210198 [0,1,0,0,0,0|2,0,1]=4 1206 B8R0.8 CC(C)C(=O)OCS[13CH3] 62a_100000139345_200025704644 [0,1,0,0,0,0|1,1,1]=4 1207 B8R0.8 CC(C)C(=O)OCS[13CH3] 62a_200025704644_100000139345 [0,1,0,0,0,0|1,1,1]=4 1208 B8R0.8 CC(F)C(=O)CCC#N 1458a_100000062450_100011215226 [0,1,0,0,0,0|2,0,1]=4 1209 B8R0.8 CC(F)C(=O)CCCF 1458a_100000062450_100011934791 [0,1,0,0,0,0|2,0,1]=4 1210 B8R0.8 CC(F)C(=O)CCCO 1458a_100000062450_100011215043 [0,1,0,0,0,0|2,0,1]=4 1211 B8R0.8 CC(F)C(=O)NCC#N 1626a_100000734998_100000062450 [0,1,0,0,0,0|2,0,1]=4 1212 B8R0.8 CC(F)C(=O)NCC#N 527a_100000734998_100000062450 [0,1,0,0,0,0|2,0,1]=4 1213 B8R0.8 CC(F)C(=O)NCCF 11a_100000724931_100000062450 [0,1,0,0,0,0|2,0,1]=4 1214 B8R0.8 CC(F)C(=O)NCCF 1626a_100000724931_100000062450 [0,1,0,0,0,0|2,0,1]=4 1215 B8R0.8 CC(F)C(=O)NCCF 240690a_100000724931_100000062450 [0,1,0,0,0,0|2,0,1]=4 1216 B8R0.8 CC(F)C(=O)NCCF 527a_100000724931_100000062450 [0,1,0,0,0,0|2,0,1]=4 1217 B8R0.8 CC(F)C(=O)NCCO 240690a_100000210304_100000062450 [0,1,0,0,0,0|2,0,1]=4 1218 B8R0.8 CC(F)C(=O)NCCO 527a_100000210304_100000062450 [0,1,0,0,0,0|2,0,1]=4 1219 B8R0.8 CC=CCC(=O)C(C)C 1458a_100000210198_100000070051 [0,1,0,0,0,0|1,0,2]=4 1220 B8R0.8 CC=CCC(=O)C(C)C 1458a_100121576822_100000210206 [0,1,0,0,0,0|1,0,2]=4 1221 B8R0.8 CC=CCC(=O)C(C)F 1458a_100000062450_100000070051 [0,1,0,0,0,0|1,0,2]=4 1222 B8R0.8 CC=CCC(=O)[C@@H](C)O 1458a_100000717761_100000070051 [0,1,0,0,0,0|1,0,2]=4 1223 B8R0.8 CC=CCC(=O)[C@H](C)O 1458a_217856618621_100000070051 [0,1,0,0,0,0|1,0,2]=4 1224 B8R0.8 CC=NNC(=O)C(C)C 4a_100000184118_200000210099 [0,1,0,0,0,0|2,0,1]=4 1225 B8R0.8 CCCCC(=O)C(C)C 1458a_100000210183_100000210206 [0,1,0,0,0,0|1,0,2]=4 1226 B8R0.8 CCCCC(=O)C(C)C 1458a_100000210198_100000210211 [0,1,0,0,0,0|1,0,2]=4 1227 B8R0.8 CCCCC(=O)C(C)F 1458a_100000062450_100000210211 [0,1,0,0,0,0|1,0,2]=4 1228 B8R0.8 CCCCC(=O)[C@@H](C)O 1458a_100000717761_100000210211 [0,1,0,0,0,0|1,0,2]=4 1229 B8R0.8 CCCCC(=O)[C@H](C)O 1458a_217856618621_100000210211 [0,1,0,0,0,0|1,0,2]=4 1230 B8R0.8 CCCNC(=O)C(C)C 11a_100020643023_100000210198 [0,1,0,0,0,0|1,0,2]=4 1231 B8R0.8 CCCNC(=O)C(C)C 1626a_100020643023_100000210198 [0,1,0,0,0,0|1,0,2]=4 1232 B8R0.8 CCCNC(=O)C(C)C 240690a_100020643023_100000210198 [0,1,0,0,0,0|1,0,2]=4 1233 B8R0.8 CCCNC(=O)C(C)C 527a_100020643023_100000210198 [0,1,0,0,0,0|1,0,2]=4 1234 B8R0.8 CCCNC(=O)C(C)F 11a_100020643023_100000062450 [0,1,0,0,0,0|1,0,2]=4 1235 B8R0.8 CCCNC(=O)C(C)F 1626a_100020643023_100000062450 [0,1,0,0,0,0|1,0,2]=4 1236 B8R0.8 CCCNC(=O)C(C)F 240690a_100020643023_100000062450 [0,1,0,0,0,0|1,0,2]=4 1237 B8R0.8 CCCNC(=O)C(C)F 527a_100020643023_100000062450 [0,1,0,0,0,0|1,0,2]=4 1238 B8R0.8 CCCNC(=O)[C@@H](C)O 240690a_100020643023_100000717761 [0,1,0,0,0,0|1,0,2]=4 1239 B8R0.8 CCCNC(=O)[C@H](C)O 1626a_100020643023_217856618621 [0,1,0,0,0,0|1,0,2]=4 1240 B8R0.8 CCCNC(=O)[C@H](C)O 240690a_100020643023_217856618621 [0,1,0,0,0,0|1,0,2]=4 1241 B8R0.8 COCCC(=O)C(C)C 1458a_100000210198_100000233755 [0,1,0,0,0,0|2,0,1]=4 1242 B8R0.8 COCCC(=O)C(C)C 1458a_100000749529_100000210206 [0,1,0,0,0,0|2,0,1]=4 1243 B8R0.8 COCCC(=O)C(C)F 1458a_100000062450_100000233755 [0,1,0,0,0,0|2,0,1]=4 1244 B8R0.8 COCCC(=O)[C@@H](C)O 1458a_100000717761_100000233755 [0,1,0,0,0,0|2,0,1]=4 1245 B8R0.8 COCCC(=O)[C@H](C)O 1458a_217856618621_100000233755 [0,1,0,0,0,0|2,0,1]=4 1246 B8R0.8 CSCCC(=O)C(C)C 1458a_100000174002_100000210206 [0,1,0,0,0,0|2,0,1]=4 1247 B8R0.8 CSCCC(=O)C(C)C 1458a_100000210198_100000751147 [0,1,0,0,0,0|2,0,1]=4 1248 B8R0.8 CSCCC(=O)C(C)F 1458a_100000062450_100000751147 [0,1,0,0,0,0|2,0,1]=4 1249 B8R0.8 CSCCC(=O)[C@@H](C)O 1458a_100000717761_100000751147 [0,1,0,0,0,0|2,0,1]=4 1250 B8R0.8 CSCCC(=O)[C@H](C)O 1458a_217856618621_100000751147 [0,1,0,0,0,0|2,0,1]=4 1251 B8R0.8 CSCOC(=O)C(C)C 62a_100000139345_200000210301 [0,1,0,0,0,0|1,1,1]=4 1252 B8R0.8 CSCOC(=O)C(C)C 62a_200000210301_100000139345 [0,1,0,0,0,0|1,1,1]=4 1253 B8R0.8 C[C@@H](O)C(=O)CCC#N 1458a_100000717761_100011215226 [0,1,0,0,0,0|2,0,1]=4 1254 B8R0.8 C[C@@H](O)C(=O)CCCF 1458a_100000717761_100011934791 [0,1,0,0,0,0|2,0,1]=4 1255 B8R0.8 C[C@@H](O)C(=O)CCCO 1458a_100000717761_100011215043 [0,1,0,0,0,0|2,0,1]=4 1256 B8R0.8 C[C@@H](O)C(=O)NCCF 240690a_100000724931_100000717761 [0,1,0,0,0,0|2,0,1]=4 1257 B8R0.8 C[C@@H](O)C(=O)NCCO 240690a_100000210304_100000717761 [0,1,0,0,0,0|2,0,1]=4 1258 B8R0.8 C[C@H](O)C(=O)CCC#N 1458a_217856618621_100011215226 [0,1,0,0,0,0|2,0,1]=4 1259 B8R0.8 C[C@H](O)C(=O)CCCF 1458a_217856618621_100011934791 [0,1,0,0,0,0|2,0,1]=4 1260 B8R0.8 C[C@H](O)C(=O)CCCO 1458a_217856618621_100011215043 [0,1,0,0,0,0|2,0,1]=4 1261 B8R0.8 C[C@H](O)C(=O)NCC#N 1626a_100000734998_217856618621 [0,1,0,0,0,0|2,0,1]=4 1262 B8R0.8 C[C@H](O)C(=O)NCCF 1626a_100000724931_217856618621 [0,1,0,0,0,0|2,0,1]=4 1263 B8R0.8 C[C@H](O)C(=O)NCCF 240690a_100000724931_217856618621 [0,1,0,0,0,0|2,0,1]=4 1264 B8R0.8 C[C@H](O)C(=O)NCCO 240690a_100000210304_217856618621 [0,1,0,0,0,0|2,0,1]=4 1265 B8R0.9 C#CC(=O)CCC(=C)C 1458a_100000211873_100000730704 [0,1,0,0,0,0|1,0,2]=4 1266 B8R0.9 C=C(C)CCC(=O)CC 1458a_100000210414_100000730704 [0,1,0,0,0,0|1,0,0]=2 1267 B8R0.9 C=C(C)CCC(=O)CC 1458a_200000688413_100000210202 [0,1,0,0,0,0|1,0,0]=2 1268 B8R0.9 C=C(C)CCC(=O)CF 1458a_200000688413_100015361967 [0,1,0,0,0,0|2,0,0]=3 1269 B8R0.9 C=C(C)CCC(=O)CO 1458a_100000210174_100000730704 [0,1,0,0,0,0|2,0,0]=3 1270 B8R0.9 C=C(C)CCC(=O)NC 11a_106832991635_200000688413 [0,1,0,0,0,0|2,0,0]=3 1271 B8R0.9 C=C(C)CCC(=O)NC 1626a_100102657272_200000688413 [0,1,0,0,0,0|2,0,0]=3 1272 B8R0.9 C=C(C)CCC(=O)NC 240690a_100102657272_200000688413 [0,1,0,0,0,0|2,0,0]=3 1273 B8R0.9 C=C(C)CCC(=O)NC 527a_100102657272_200000688413 [0,1,0,0,0,0|2,0,0]=3 1274 B8R0.9 C=C(C)CCN(C)CC 2230a_100000225621_100000730704 [0,1,0,0,0,0|3,0,0]=4 1275 B8R0.9 C=C(C)CCN(C)CC 269982a_100000225621_100000730704 [0,1,0,0,0,0|3,0,0]=4 1276 B8R0.9 C=C(C)CNC(=O)CC 11a_100000765925_100000210414 [0,1,0,0,0,0|1,0,0]=2 1277 B8R0.9 C=C(C)CNC(=O)CC 1626a_100000765925_100000210414 [0,1,0,0,0,0|1,0,0]=2 1278 B8R0.9 C=C(C)CNC(=O)CC 240690a_100000765925_100000210414 [0,1,0,0,0,0|1,0,0]=2 1279 B8R0.9 C=C(C)CNC(=O)CC 527a_100000765925_100000210414 [0,1,0,0,0,0|1,0,0]=2 1280 B8R0.9 C=C(C)CNC(=O)CO 240690a_100000765925_100000210174 [0,1,0,0,0,0|2,0,0]=3 1281 B8R0.9 C=C(C)CNC(=O)CO 527a_100000765925_100000210174 [0,1,0,0,0,0|2,0,0]=3 1282 B8R0.9 C=C(C)CNC(=O)NC 2708a_100000765925_106832991635 [0,1,0,0,0,0|2,0,0]=3 1283 B8R0.9 C=C(C)CNC(=O)NC 2708a_100102657272_100000765925 [0,1,0,0,0,0|2,0,0]=3 1284 B8R0.9 C=C(C)CNC(=O)NC 273464a_100000765925_100102657272 [0,1,0,0,0,0|2,0,0]=3 1285 B8R0.9 C=C(C)CNC(=O)NC 273464a_100102657272_100000765925 [0,1,0,0,0,0|2,0,0]=3 1286 B8R0.9 C=C(C)CNC(=O)NC 512a_100000765925_100102657272 [0,1,0,0,0,0|2,0,0]=3 1287 B8R0.9 C=C(C)CNC(=O)NC 512a_106832991638_100000765925 [0,1,0,0,0,0|2,0,0]=3 1288 B8R0.9 C=C(C)CNC(C)CC 2230a_100000209981_100000748629 [0,1,0,0,0,0|2,0,1]=4 1289 B8R0.9 C=C(C)COC(C)CC 34a_100000210245_100011215416 [0,1,0,0,0,0|1,1,1]=4 1290 B8R0.9 C=C(C)COC(C)CC 7a_100000210228_100000748629 [0,1,0,0,0,0|1,1,1]=4 1291 B8R0.9 C=C(C)CSC(C)CC 62a_100000748629_100000758301 [0,1,0,0,0,0|1,0,1]=3 1292 B8R0.9 C=C(C)CSC(C)CC 62a_100000758301_100000211660 [0,1,0,0,0,0|1,0,1]=3 1293 B8R0.9 C=C(C)CSC(C)CO 62a_100012180447_100000211660 [0,1,0,0,0,0|2,0,1]=4 1294 B8R0.9 C=C(C)CSC(C)OC 62a_100000748629_100009879195 [0,1,0,0,0,0|2,0,1]=4 1295 B8R0.9 C=C(C)CSC(C)OC 62a_100009879195_100000211660 [0,1,0,0,0,0|2,0,1]=4 1296 B8R0.9 C=C(C)CS[C@H](C)CO 62a_100000748629_100016084084 [0,1,0,0,0,0|2,0,1]=4 1297 B8R0.9 C=C(C)CS[C@H](C)CO 62a_100016084084_100000211660 [0,1,0,0,0,0|2,0,1]=4 1298 B8R0.9 C=C(F)CNC(C)CC 2230a_100000209981_100009893438 [0,1,0,0,0,0|2,0,1]=4 1299 B8R0.9 C=C(F)COC(C)CC 34a_200010262243_100011215416 [0,1,0,0,0,0|1,1,1]=4 1300 B8R0.9 C=C(F)COC(C)CC 7a_100000210228_100000042424 [0,1,0,0,0,0|1,1,1]=4 1301 B8R0.9 C=C(F)CSC(C)CC 62a_100000042424_100000758301 [0,1,0,0,0,0|1,0,1]=3 1302 B8R0.9 C=C(F)CSC(C)CC 62a_100000758301_100000042424 [0,1,0,0,0,0|1,0,1]=3 1303 B8R0.9 C=C(F)CSC(C)CO 62a_100012180447_100000042424 [0,1,0,0,0,0|2,0,1]=4 1304 B8R0.9 C=C(F)CSC(C)OC 62a_100000042424_100009879195 [0,1,0,0,0,0|2,0,1]=4 1305 B8R0.9 C=C(F)CSC(C)OC 62a_100009879195_100000042424 [0,1,0,0,0,0|2,0,1]=4 1306 B8R0.9 C=C(F)CS[C@H](C)CO 62a_100000042424_100016084084 [0,1,0,0,0,0|2,0,1]=4 1307 B8R0.9 C=C(F)CS[C@H](C)CO 62a_100016084084_100000042424 [0,1,0,0,0,0|2,0,1]=4 1308 B8R0.9 C=CC(=O)CCC(=C)C 1458a_100000185746_100000730704 [0,1,0,0,0,0|1,0,2]=4 1309 B8R0.9 C=CC(=O)NCC(=C)C 1626a_100000765925_100000185746 [0,1,0,0,0,0|1,0,2]=4 1310 B8R0.9 C=CC(=O)NCC(=C)C 240690a_100000765925_200121576911 [0,1,0,0,0,0|1,0,2]=4 1311 B8R0.9 CCC(=O)CC=C(C)C 1458a_100000210414_100000761012 [0,1,0,0,0,0|1,0,2]=4 1312 B8R0.9 CCC(=O)CC=C(C)C 1458a_100011220947_100000210202 [0,1,0,0,0,0|1,0,2]=4 1313 B8R0.9 CCC(=O)CCC(=O)N 1458a_100011215257_100000210202 [0,1,0,0,0,0|2,0,0]=3 1314 B8R0.9 CCC(=O)CCC(C)C 1458a_100000181311_100000210202 [0,1,0,0,0,0|1,0,2]=4 1315 B8R0.9 CCC(=O)CCC(C)C 1458a_100000210414_100000210312 [0,1,0,0,0,0|1,0,2]=4 1316 B8R0.9 CCC(=O)CCC(C)O 1458a_100000210414_100012276601 [0,1,0,0,0,0|1,0,2]=4 1317 B8R0.9 CCC(=O)CC[N+](=O)[O-] 1458a_200000064761_100000210202 [0,1,0,0,0,0|3,0,0]=4 1318 B8R0.9 CCC(=O)CC[S+](C)C 1458a_100009452791_100000210202 [0,1,0,0,0,0|2,0,1]=4 1319 B8R0.9 CCC(=O)CNC(=O)C 1458a_100000194580_100000210202 [0,1,0,0,0,0|2,0,1]=4 1320 B8R0.9 CCC(=O)CNC(=O)N 1458a_100000184981_100000210202 [0,1,0,0,0,0|3,0,0]=4 1321 B8R0.9 CCC(=O)COC(=O)C 1458a_100000183556_100000210202 [0,1,0,0,0,0|2,0,1]=4 1322 B8R0.9 CCC(=O)CSC(=O)C 1458a_100000049016_100000210202 [0,1,0,0,0,0|2,0,1]=4 1323 B8R0.9 CCC(=O)NCC(=O)C 1458a_100000194589_200000210301 [0,1,0,0,0,0|1,0,1]=3 1324 B8R0.9 CCC(=O)NCC(=O)N 11a_100000711301_100000210414 [0,1,0,0,0,0|2,0,0]=3 1325 B8R0.9 CCC(=O)NCC(=O)N 240690a_100000711301_100000210414 [0,1,0,0,0,0|2,0,0]=3 1326 B8R0.9 CCC(=O)NCC(=O)N 527a_100000711301_100000210414 [0,1,0,0,0,0|2,0,0]=3 1327 B8R0.9 CCC(=O)NCC(=O)[13CH3] 1458a_100000194589_200025704644 [0,1,0,0,0,0|1,0,1]=3 1328 B8R0.9 CCC(=O)NCC(C)C 11a_100000210953_100000210414 [0,1,0,0,0,0|1,0,2]=4 1329 B8R0.9 CCC(=O)NCC(C)C 1626a_100000210953_100000210414 [0,1,0,0,0,0|1,0,2]=4 1330 B8R0.9 CCC(=O)NCC(C)C 240690a_100000210953_100000210414 [0,1,0,0,0,0|1,0,2]=4 1331 B8R0.9 CCC(=O)NCC(C)C 527a_100000210953_100000210414 [0,1,0,0,0,0|1,0,2]=4 1332 B8R0.9 CCC(=O)NCC(C)O 11a_100000210904_100000210414 [0,1,0,0,0,0|1,0,2]=4 1333 B8R0.9 CCC(=O)NCC(C)O 240690a_100000210904_100000210414 [0,1,0,0,0,0|1,0,2]=4 1334 B8R0.9 CCC(=O)NCC(C)O 527a_100000210904_100000210414 [0,1,0,0,0,0|1,0,2]=4 1335 B8R0.9 CCC(=O)NCC(F)F 11a_100000765723_100000210414 [0,1,0,0,0,0|2,0,1]=4 1336 B8R0.9 CCC(=O)NCC(F)F 1626a_100000765723_100000210414 [0,1,0,0,0,0|2,0,1]=4 1337 B8R0.9 CCC(=O)NCC(F)F 240690a_100000765723_100000210414 [0,1,0,0,0,0|2,0,1]=4 1338 B8R0.9 CCC(=O)NCC(F)F 527a_100000765723_100000210414 [0,1,0,0,0,0|2,0,1]=4 1339 B8R0.9 CCC(=O)NNC(=O)C 22a_100000183195_100000070787 [0,1,0,0,0,0|2,0,1]=4 1340 B8R0.9 CCC(=O)NNC(=O)C 22a_100000189765_100000210414 [0,1,0,0,0,0|2,0,1]=4 1341 B8R0.9 CCC(C)SCC(=O)N 62a_100000747473_100000758301 [0,1,0,0,0,0|2,0,1]=4 1342 B8R0.9 CCC(C)SCC(=O)N 62a_100000758301_100000747473 [0,1,0,0,0,0|2,0,1]=4 1343 B8R0.9 CCC(C)SCC(=O)[O-] 62a_100000758301_100020667443 [0,1,0,0,0,0|2,0,1]=4 1344 B8R0.9 CCC(C)SCC(=O)[O-] 62a_100020667443_100000758301 [0,1,0,0,0,0|2,0,1]=4 1345 B8R0.9 CCS(=O)CCC(=O)C 1458a_100011387550_200000210301 [0,1,0,0,0,0|2,0,1]=4 1346 B8R0.9 CCS(=O)CCC(=O)[13CH3] 1458a_100011387550_200025704644 [0,1,0,0,0,0|2,0,1]=4 1347 B8R0.9 CNC(=O)CCC(=O)C 1458a_100011309844_200000210301 [0,1,0,0,0,0|2,0,1]=4 1348 B8R0.9 CNC(=O)CCC(=O)N 240690a_100102657272_100011215257 [0,1,0,0,0,0|3,0,0]=4 1349 B8R0.9 CNC(=O)CCC(=O)N 527a_100102657272_100011215257 [0,1,0,0,0,0|3,0,0]=4 1350 B8R0.9 CNC(=O)CCC(=O)[13CH3] 1458a_100011309844_200025704644 [0,1,0,0,0,0|2,0,1]=4 1351 B8R0.9 CNC(=O)NCC(=O)N 2708a_100102657272_100000711301 [0,1,0,0,0,0|3,0,0]=4 1352 B8R0.9 CNC(=O)NCC(=O)N 273464a_100000711301_100102657272 [0,1,0,0,0,0|3,0,0]=4 1353 B8R0.9 CNC(=O)NCC(=O)N 273464a_100102657272_100000711301 [0,1,0,0,0,0|3,0,0]=4 1354 B8R0.9 CNC(=O)NCC(=O)N 512a_106832991638_100000711301 [0,1,0,0,0,0|3,0,0]=4 1355 B8R0.9 COC(=O)CCC(=O)C 1458a_100000187943_200000210301 [0,1,0,0,0,0|2,0,1]=4 1356 B8R0.9 COC(=O)CCC(=O)[13CH3] 1458a_100000187943_200025704644 [0,1,0,0,0,0|2,0,1]=4 1357 B8R0.9 COC(=O)NCC(=O)C 1458a_100000215747_200000210301 [0,1,0,0,0,0|2,0,1]=4 1358 B8R0.9 COC(=O)NCC(=O)[13CH3] 1458a_100000215747_200025704644 [0,1,0,0,0,0|2,0,1]=4 1359 B8R0.9 NC(=O)CCC(=O)CF 1458a_100011215257_100015361967 [0,1,0,0,0,0|3,0,0]=4 1360 B8R0.9 NC(=O)CNC(=O)CO 240690a_100000711301_100000210174 [0,1,0,0,0,0|3,0,0]=4 1361 B8R0.9 NC(=O)CNC(=O)CO 527a_100000711301_100000210174 [0,1,0,0,0,0|3,0,0]=4 1362 B8R0.11 C#CC(CC)OCC=C 34a_100000758843_100015514636 [0,1,0,0,0,0|1,1,1]=4 1363 B8R0.11 C#CC(CC)OCC=C 7a_100000758843_100015514636 [0,1,0,0,0,0|1,1,1]=4 1364 B8R0.11 C=CCCN(CC)CC 2230a_100000724800_100000754431 [0,1,0,0,0,0|3,0,0]=4 1365 B8R0.11 C=CCCN(CC)CC 269956a_100000042499_100000754431 [0,1,0,0,0,0|3,0,0]=4 1366 B8R0.11 C=CCCN(CC)CC 269982a_100000724800_100000754431 [0,1,0,0,0,0|3,0,0]=4 1367 B8R0.11 C=CCNC(CC)CC 2230a_100000199018_100000210623 [0,1,0,0,0,0|2,0,1]=4 1368 B8R0.11 C=CCNC(CC)CC 270004a_100020586998_100000210860 [0,1,0,0,0,0|2,0,1]=4 1369 B8R0.11 C=CCN[C@@H](CC)CO 2230a_100000709445_100000210623 [0,1,0,0,0,0|1,0,2]=4 1370 B8R0.11 C=CCOC(C=C)CC 34a_100000766422_100015514636 [0,1,0,0,0,0|1,1,1]=4 1371 B8R0.11 C=CCOC(C=C)CC 7a_100000766422_100015514636 [0,1,0,0,0,0|1,1,1]=4 1372 B8R0.11 C=CCOC(CC)CC 7a_100000688536_100015514636 [0,1,0,0,0,0|1,1,1]=4 1373 B8R0.11 C=CCSC(C=O)C=O 62a_100000210623_100000736813 [0,1,0,0,0,0|1,0,2]=4 1374 B8R0.11 C=CCSC(C=O)C=O 62a_100000736813_100000210623 [0,1,0,0,0,0|1,0,2]=4 1375 B8R0.11 C=CCSC(CC)CC 62a_100000210505_100000210623 [0,1,0,0,0,0|1,0,1]=3 1376 B8R0.11 C=CCSC(CC)CC 62a_100000210623_100000210505 [0,1,0,0,0,0|1,0,1]=3 1377 B8R0.11 CCC(CC)SCC=O 62a_100000210505_200015260668 [0,1,0,0,0,0|2,0,1]=4 1378 B8R0.11 CCC(CC)SCC=O 62a_200015260668_100000210505 [0,1,0,0,0,0|2,0,1]=4 1379 B8R0.19 C#CC(C)NC(=O)CC 11a_100000707721_100000210414 [0,1,0,0,0,0|1,0,2]=4 1380 B8R0.19 C#CC(C)NC(=O)CC 1626a_100000707721_100000210414 [0,1,0,0,0,0|1,0,2]=4 1381 B8R0.19 C#CC(C)NC(=O)CC 240690a_100000707721_100000210414 [0,1,0,0,0,0|1,0,2]=4 1382 B8R0.19 C#CC(C)NC(=O)CC 527a_100000707721_100000210414 [0,1,0,0,0,0|1,0,2]=4 1383 B8R0.19 C=CC(=O)CC(=O)CC 1458a_100000185746_100000747405 [0,1,0,0,0,0|1,0,1]=3 1384 B8R0.19 C=CC(=O)CC(=O)NC 1458a_100000185746_100000183359 [0,1,0,0,0,0|2,0,1]=4 1385 B8R0.19 C=CC(=O)CC(=O)OC 1458a_100000185746_100000747449 [0,1,0,0,0,0|2,0,1]=4 1386 B8R0.19 C=CC(C)CC(=O)CC 1458a_100011934298_100000210202 [0,1,0,0,0,0|1,0,0]=2 1387 B8R0.19 C=CC(C)CC(=O)CF 1458a_100011934298_100015361967 [0,1,0,0,0,0|2,0,0]=3 1388 B8R0.19 C=CC(C)CC(=O)NC 11a_106832991635_100011934298 [0,1,0,0,0,0|2,0,0]=3 1389 B8R0.19 C=CC(C)CC(=O)NC 1626a_100102657272_100011934298 [0,1,0,0,0,0|2,0,0]=3 1390 B8R0.19 C=CC(C)CC(=O)NC 240690a_100102657272_100011934298 [0,1,0,0,0,0|2,0,0]=3 1391 B8R0.19 C=CC(C)CC(=O)NC 527a_100102657272_100011934298 [0,1,0,0,0,0|2,0,0]=3 1392 B8R0.19 C=CC(C)OC(C)CC 34a_100000695699_100011215416 [0,1,0,0,0,0|1,1,1]=4 1393 B8R0.19 C=CC(C)SC(C)CC 62a_100011215867_100000758301 [0,1,0,0,0,0|1,0,1]=3 1394 B8R0.19 C=CC(C)SC(C)OC 62a_100011215867_100009879195 [0,1,0,0,0,0|2,0,1]=4 1395 B8R0.19 C=CC(C)S[C@H](C)CO 62a_100011215867_100016084084 [0,1,0,0,0,0|2,0,1]=4 1396 B8R0.19 C=CC(O)CN(C)CC 2230a_100000225621_100000730141 [0,1,0,0,0,0|3,0,0]=4 1397 B8R0.19 CCC(=O)CC(C)CC 1458a_100000210414_100000748023 [0,1,0,0,0,0|1,0,2]=4 1398 B8R0.19 CCC(=O)CC(C)CC 1458a_100000708755_100000210202 [0,1,0,0,0,0|1,0,2]=4 1399 B8R0.19 CCC(=O)CC(O)CC 1458a_100000210414_100011218378 [0,1,0,0,0,0|1,0,2]=4 1400 B8R0.19 CCC(=O)CC(O)CC 1458a_100011667805_100000210202 [0,1,0,0,0,0|1,0,2]=4 1401 B8R0.19 CCC(=O)C[C@@H](C)CC 1458a_100000210414_100009816398 [0,1,0,0,0,0|1,0,2]=4 1402 B8R0.19 CCC(=O)C[C@@H](C)CO 1458a_100000210414_100000059175 [0,1,0,0,0,0|2,0,1]=4 1403 B8R0.19 CCC(=O)NC(C)C#N 11a_100000737613_100000210414 [0,1,0,0,0,0|2,0,1]=4 1404 B8R0.19 CCC(=O)NC(C)C#N 1626a_100000737613_100000210414 [0,1,0,0,0,0|2,0,1]=4 1405 B8R0.19 CCC(=O)NC(C)C#N 527a_100000737613_100000210414 [0,1,0,0,0,0|2,0,1]=4 1406 B8R0.19 CCC(=O)NC(C)CC 11a_100000209981_100000210414 [0,1,0,0,0,0|1,0,2]=4 1407 B8R0.19 CCC(=O)NC(C)CC 1626a_100000209981_100000210414 [0,1,0,0,0,0|1,0,2]=4 1408 B8R0.19 CCC(=O)NC(C)CC 240690a_100000209981_100000210414 [0,1,0,0,0,0|1,0,2]=4 1409 B8R0.19 CCC(=O)NC(C)CC 527a_100000209981_100000210414 [0,1,0,0,0,0|1,0,2]=4 1410 B8R0.19 CCC(=O)N[C@H](C)CF 11a_100102880703_100000210414 [0,1,0,0,0,0|2,0,1]=4 1411 B8R0.19 CCC(=O)N[C@H](C)CF 1626a_100102880703_100000210414 [0,1,0,0,0,0|2,0,1]=4 1412 B8R0.19 CCC(=O)N[C@H](C)CF 240690a_100102880703_100000210414 [0,1,0,0,0,0|2,0,1]=4 1413 B8R0.19 CCC(=O)N[C@H](C)CF 527a_100102880703_100000210414 [0,1,0,0,0,0|2,0,1]=4 1414 B8R0.19 CCC(=O)N[C@H](C)CO 240690a_100000737577_100000210414 [0,1,0,0,0,0|2,0,1]=4 1415 B8R0.19 CCC(=O)N[C@H](C)CO 527a_100000737577_100000210414 [0,1,0,0,0,0|2,0,1]=4 1416 B8R0.25 C=CCNC(C)(C)CC 2230a_100000211385_100000210623 [0,1,0,0,0,0|2,0,1]=4 1417 B8R0.25 C=CCNS(=O)(=O)CC 270084a_100020586998_100000211323 [0,1,0,0,0,0|2,0,0]=3 1418 B8R0.25 C=CCNS(=O)(=O)CC 274078a_100020586998_100000211323 [0,1,0,0,0,0|2,0,0]=3 1419 B8R0.25 C=CCNS(=O)(=O)CC 40a_100020586998_100000053943 [0,1,0,0,0,0|2,0,0]=3 1420 B8R0.25 C=CCNS(=O)(=O)CCl 270084a_100020586998_100000031410 [0,1,0,0,0,0|3,0,0]=4 1421 B8R0.25 C=CCNS(=O)(=O)CCl 274078a_100020586998_100000031410 [0,1,0,0,0,0|3,0,0]=4 1422 B8R0.25 C=CCOC(C)(C)CC 7a_100000210230_100015514636 [0,1,0,0,0,0|1,1,1]=4 1423 B8R0.25 C=CCSC(C)(C)CC 62a_100000032637_100000210623 [0,1,0,0,0,0|1,0,1]=3 1424 B8R0.25 C=CCSC(C)(C)CC 62a_100000210623_100000032637 [0,1,0,0,0,0|1,0,1]=3 1425 B8R0.25 C=CCSC(F)(F)CO 62a_100000210623_100011217949 [0,1,0,0,0,0|2,0,1]=4 1426 B8R0.25 C=CCSC(F)(F)CO 62a_100011217949_100000210623 [0,1,0,0,0,0|2,0,1]=4 1427 B8R0.25 CCC(C)(C)SCC=O 62a_100000032637_200015260668 [0,1,0,0,0,0|2,0,1]=4 1428 B8R0.25 CCC(C)(C)SCC=O 62a_200015260668_100000032637 [0,1,0,0,0,0|2,0,1]=4 1429 B8R1.1 CCc1cc(cs1)O 271570a_203496583355_100009846239 [0,0,0,1,0,0|2,0,1]=4 1430 B8R1.1 COC1CCC(=O)C1 34a_100012614533_200000210301 [0,0,0,1,0,0|2,0,1]=4 1431 B8R1.1 [13CH3]OC1CCC(=O)C1 34a_100012614533_200025704644 [0,0,0,1,0,0|2,0,1]=4 1432 B8R1.2 CCN1CC=CCC1 2230a_100000698166_100000210202 [0,0,0,1,0,0|3,0,0]=4 1433 B8R1.2 CCN1CC=CCC1 269982a_100000698166_100000204670 [0,0,0,1,0,0|3,0,0]=4 1434 B8R1.2 CCN1CC=CCC1 34a_100000698166_100000210202 [0,0,0,1,0,0|3,0,0]=4 1435 B8R1.3 C=C1CCN(CC1)C 2230a_100000752442_200000210301 [0,0,0,1,0,0|3,0,0]=4 1436 B8R1.3 C=C1CCN(CC1)C 269982a_100000752442_200000210301 [0,0,0,1,0,0|3,0,0]=4 1437 B8R1.3 C=C1CCN(CC1)C 34a_100000752442_200000210301 [0,0,0,1,0,0|3,0,0]=4 1438 B8R1.3 C=C1CCN(CC1)[13CH3] 2230a_100000752442_200025704644 [0,0,0,1,0,0|3,0,0]=4 1439 B8R1.3 C=C1CCN(CC1)[13CH3] 269982a_100000752442_200025704644 [0,0,0,1,0,0|3,0,0]=4 1440 B8R1.3 C=C1CCN(CC1)[13CH3] 34a_100000752442_200025704644 [0,0,0,1,0,0|3,0,0]=4 1441 B8R1.10 C=CCCN1CCC1 269982a_100000754969_100000754431 [0,0,0,1,0,0|3,0,0]=4 1442 B8R1.10 C=CCNC1CCC1 2230a_100000749019_100000210623 [0,0,0,1,0,0|2,0,1]=4 1443 B8R1.10 C=CCNC1CCC1 270004a_100020586998_100000241760 [0,0,0,1,0,0|2,0,1]=4 1444 B8R1.10 C=CCNC1CCC1 34a_100000749019_100015514636 [0,0,0,1,0,0|2,0,1]=4 1445 B8R1.10 C=CCOC1CCC1 34a_100000748187_100015514636 [0,0,0,1,0,0|1,1,1]=4 1446 B8R1.10 C=CCOC1CCC1 34a_200000210373_100000749161 [0,0,0,1,0,0|1,1,1]=4 1447 B8R1.10 C=CCSC1CCC1 62a_100000210623_100000749161 [0,0,0,1,0,0|1,0,1]=3 1448 B8R1.10 C=CCSC1COC1 62a_100000210623_100009818527 [0,0,0,1,0,0|2,0,1]=4 1449 B8R1.10 O=CCSC1CCC1 62a_200015260668_100000749161 [0,0,0,1,0,0|2,0,1]=4 1450 B8R1.13 C=CCN1CCC1C 269982a_100000755817_100000210623 [0,0,0,1,0,0|2,0,1]=4 1451 B8R1.13 C=CCN1CCC1C 34a_100000755817_100015514636 [0,0,0,1,0,0|2,0,1]=4 1452 B8R1.38 CCC(=O)C1CCC1 1458a_100000209988_100000210202 [0,0,0,1,0,0|1,0,2]=4 1453 B8R1.38 CCC(=O)C1CCC1 1458a_100000210414_100000749161 [0,0,0,1,0,0|1,0,2]=4 1454 B8R1.38 CCC(=O)C1CCO1 1458a_100000089072_100000210202 [0,0,0,1,0,0|2,0,1]=4 1455 B8R1.38 CCC(=O)C1COC1 1458a_100000210414_100000687716 [0,0,0,1,0,0|2,0,1]=4 1456 B8R1.38 CCC(=O)C1COC1 1458a_100000758290_100000210202 [0,0,0,1,0,0|2,0,1]=4 1457 B8R1.38 CCC(=O)N1CCC1 11a_100000754969_100000210414 [0,0,0,1,0,0|1,0,2]=4 1458 B8R1.38 CCC(=O)N1CCC1 240690a_100000754969_100000210414 [0,0,0,1,0,0|1,0,2]=4 1459 B8R1.38 CCC(=O)N1CCC1 527a_100000754969_100000210414 [0,0,0,1,0,0|1,0,2]=4 1460 B8R1.40 CCC(=O)CC1CC1 1458a_100000210414_100000742324 [0,0,0,1,0,0|1,0,2]=4 1461 B8R1.40 CCC(=O)CC1CC1 1458a_100000738066_100000210202 [0,0,0,1,0,0|1,0,2]=4 1462 B8R1.40 CCC(=O)CC1CO1 1458a_100000210414_100011216344 [0,0,0,1,0,0|2,0,1]=4 1463 B8R1.40 CCC(=O)CC1CS1 1458a_100000210414_100000031435 [0,0,0,1,0,0|2,0,1]=4 1464 B8R1.40 CCC(=O)C[C@@H]1CO1 1458a_100000210414_100000745022 [0,0,0,1,0,0|2,0,1]=4 1465 B8R1.40 CCC(=O)NC1CC1 1626a_100000212008_100000210414 [0,0,0,1,0,0|1,0,2]=4 1466 B8R1.40 CCC(=O)NC1CC1 240690a_100000212008_100000210414 [0,0,0,1,0,0|1,0,2]=4 1467 B8R1.40 CCC(=O)NC1CC1 527a_100000212008_100000210414 [0,0,0,1,0,0|1,0,2]=4 1468 B8R1.41 C=CCNC1(CC1)C 2230a_100000757604_100000210623 [0,0,0,1,0,0|2,0,1]=4 1469 B8R1.41 C=CCOC1(CC1)C 7a_100011725673_100015514636 [0,0,0,1,0,0|1,1,1]=4 1470 B8R1.83 CCC(=O)C1CC1C 1458a_100000211227_100000210202 [0,0,0,1,0,0|1,0,2]=4 1471 B8R1.83 CCC(=O)[C@@H]1C[C@@H]1F 1458a_100015396687_100000210202 [0,0,0,1,0,0|2,0,1]=4 1472 B5R0.1 C#CCC(=O)C 1458a_100000070787_100000184674 [2,0,0,0,0,0|0,0,2]=4 1473 B5R0.1 C#CCC(=O)C 1458a_100011220946_200000210301 [2,0,0,0,0,0|0,0,2]=4 1474 B5R0.1 C#CCC(=O)[13CH3] 1458a_100011220946_200025704644 [2,0,0,0,0,0|0,0,2]=4 1475 B5R0.1 C=CCC(=O)C 1458a_100000070787_100000210623 [2,0,0,0,0,0|0,0,0]=2 1476 B5R0.1 C=CCC(=O)C 1458a_100000210193_200000210301 [2,0,0,0,0,0|0,0,0]=2 1477 B5R0.1 C=CCC(=O)[13CH3] 1458a_100000210193_200025704644 [2,0,0,0,0,0|0,0,0]=2 1478 B5R0.1 C=CCN(C)C 2230a_100000225617_200000210301 [2,0,0,0,0,0|2,0,0]=4 1479 B5R0.1 C=CCN(C)C 2230a_100102631434_100000210623 [2,0,0,0,0,0|2,0,0]=4 1480 B5R0.1 C=CCN(C)C 269982a_100000225617_200000210301 [2,0,0,0,0,0|2,0,0]=4 1481 B5R0.1 C=CCN(C)C 269982a_100102631434_100000210623 [2,0,0,0,0,0|2,0,0]=4 1482 B5R0.1 C=CCN(C)[13CH3] 2230a_100000225617_200025704644 [2,0,0,0,0,0|2,0,0]=4 1483 B5R0.1 C=CCN(C)[13CH3] 269982a_100000225617_200025704644 [2,0,0,0,0,0|2,0,0]=4 1484 B5R0.1 CC(=O)C=CBr 1458a_100016273825_200000210301 [2,0,0,0,0,0|1,0,1]=4 1485 B5R0.1 CC(=O)C=CCl 1458a_200016279998_200000210301 [2,0,0,0,0,0|1,0,1]=4 1486 B5R0.1 CC(=O)C=CI 1458a_100016256311_200000210301 [2,0,0,0,0,0|1,0,1]=4 1487 B5R0.1 CC(=O)CC#N 1458a_100000070787_100011214920 [2,0,0,0,0,0|1,0,1]=4 1488 B5R0.1 CC(=O)CC#N 1458a_100051588842_200000210301 [2,0,0,0,0,0|1,0,1]=4 1489 B5R0.1 CC(=O)CCF 1458a_100000070787_100011217306 [2,0,0,0,0,0|1,0,1]=4 1490 B5R0.1 CC(=O)CCO 1458a_100000070787_100000211926 [2,0,0,0,0,0|1,0,1]=4 1491 B5R0.1 CC(=O)CCO 1458a_100011216618_200000210301 [2,0,0,0,0,0|1,0,1]=4 1492 B5R0.1 CC(=O)CO[13CH3] 34a_100000211253_200025704644 [2,0,0,0,0,0|1,0,1]=4 1493 B5R0.1 CC=CC(=O)C 1458a_100000210699_200000210301 [2,0,0,0,0,0|0,0,2]=4 1494 B5R0.1 CC=CC(=O)[13CH3] 1458a_100000210699_200025704644 [2,0,0,0,0,0|0,0,2]=4 1495 B5R0.1 CCCC(=O)C 1458a_100000070787_100000210303 [2,0,0,0,0,0|0,0,2]=4 1496 B5R0.1 CCCC(=O)C 1458a_100000211992_200000210301 [2,0,0,0,0,0|0,0,2]=4 1497 B5R0.1 CCCC(=O)[13CH3] 1458a_100000211992_200025704644 [2,0,0,0,0,0|0,0,2]=4 1498 B5R0.1 CCNC(=O)C 11a_100015525214_100015343762 [2,0,0,0,0,0|1,0,1]=4 1499 B5R0.1 CCNC(=O)C 240690a_100015525214_100015343762 [2,0,0,0,0,0|1,0,1]=4 1500 B5R0.1 CCNC(=O)C 527a_100015525214_100103153847 [2,0,0,0,0,0|1,0,1]=4 1501 B5R0.1 COCC(=O)C 1458a_100000210968_200000210301 [2,0,0,0,0,0|1,0,1]=4 1502 B5R0.1 COCC(=O)C 34a_100000211253_200000210301 [2,0,0,0,0,0|1,0,1]=4 1503 B5R0.1 COCC(=O)[13CH3] 1458a_100000210968_200025704644 [2,0,0,0,0,0|1,0,1]=4 1504 B5R0.1 CSCC(=O)C 1458a_100000184570_200000210301 [2,0,0,0,0,0|1,0,1]=4 1505 B5R0.1 CSCC(=O)[13CH3] 1458a_100000184570_200025704644 [2,0,0,0,0,0|1,0,1]=4 1506 B5R0.1 [13CH3]C(=O)C=CBr 1458a_100016273825_200025704644 [2,0,0,0,0,0|1,0,1]=4 1507 B5R0.1 [13CH3]C(=O)C=CCl 1458a_200016279998_200025704644 [2,0,0,0,0,0|1,0,1]=4 1508 B5R0.1 [13CH3]C(=O)C=CI 1458a_100016256311_200025704644 [2,0,0,0,0,0|1,0,1]=4 1509 B5R0.1 [13CH3]C(=O)CC#N 1458a_100051588842_200025704644 [2,0,0,0,0,0|1,0,1]=4 1510 B5R0.1 [13CH3]C(=O)CCO 1458a_100011216618_200025704644 [2,0,0,0,0,0|1,0,1]=4 1511 B5R0.2 C#CCSCC 62a_100000038162_100000210202 [2,0,0,0,0,0|0,0,2]=4 1512 B5R0.2 C=CCCNC 2230a_100015191253_200000210301 [2,0,0,0,0,0|1,0,1]=4 1513 B5R0.2 C=CCCNC 2230a_106832991635_100000754431 [2,0,0,0,0,0|1,0,1]=4 1514 B5R0.2 C=CCCNC 34a_100102657272_100000754431 [2,0,0,0,0,0|1,0,1]=4 1515 B5R0.2 C=CCCNC 7a_106832991635_100000754431 [2,0,0,0,0,0|1,0,1]=4 1516 B5R0.2 C=CCCN[13CH3] 2230a_100015191253_200025704644 [2,0,0,0,0,0|1,0,1]=4 1517 B5R0.2 C=CCCOC 34a_100011205117_200000210301 [2,0,0,0,0,0|1,0,1]=4 1518 B5R0.2 C=CCCOC 34a_100138415774_100000754431 [2,0,0,0,0,0|1,0,1]=4 1519 B5R0.2 C=CCCO[13CH3] 34a_100011205117_200025704644 [2,0,0,0,0,0|1,0,1]=4 1520 B5R0.2 C=CCCSC 62a_100000754431_200000210301 [2,0,0,0,0,0|1,0,1]=4 1521 B5R0.2 C=CCCSC 62a_200000210301_100000754431 [2,0,0,0,0,0|1,0,1]=4 1522 B5R0.2 C=CCCS[13CH3] 62a_100000754431_200025704644 [2,0,0,0,0,0|1,0,1]=4 1523 B5R0.2 C=CCCS[13CH3] 62a_200025704644_100000754431 [2,0,0,0,0,0|1,0,1]=4 1524 B5R0.2 C=CCNCC 2230a_100015525214_100000210623 [2,0,0,0,0,0|1,0,0]=3 1525 B5R0.2 C=CCNCC 2230a_100020586998_100000210202 [2,0,0,0,0,0|1,0,0]=3 1526 B5R0.2 C=CCOCC 34a_100121572206_100015514636 [2,0,0,0,0,0|0,1,0]=3 1527 B5R0.2 C=CCOCC 34a_200000210373_100000210202 [2,0,0,0,0,0|0,1,0]=3 1528 B5R0.2 C=CCOCF 34a_200000210373_100015361967 [2,0,0,0,0,0|1,1,0]=4 1529 B5R0.2 C=CCSCC 62a_100000210202_100000210623 [2,0,0,0,0,0|0,0,0]=2 1530 B5R0.2 C=CCSCC 62a_100000210623_100000210202 [2,0,0,0,0,0|0,0,0]=2 1531 B5R0.2 C=CCSCF 62a_100000210623_100015361967 [2,0,0,0,0,0|1,0,0]=3 1532 B5R0.2 C=CCSCF 62a_100015361967_100000210623 [2,0,0,0,0,0|1,0,0]=3 1533 B5R0.2 CCCSCC 62a_100000210202_100000210303 [2,0,0,0,0,0|0,0,2]=4 1534 B5R0.2 CCCSCC 62a_100000210303_100000210202 [2,0,0,0,0,0|0,0,2]=4 1535 B5R0.2 CCCSCF 62a_100000210303_100015361967 [2,0,0,0,0,0|1,0,1]=4 1536 B5R0.2 CCCSCF 62a_100015361967_100000210303 [2,0,0,0,0,0|1,0,1]=4 1537 B5R0.2 CCNCC=O 2230a_100015525214_200015260668 [2,0,0,0,0,0|2,0,0]=4 1538 B5R0.2 CCOCC=O 34a_100121572206_200009817547 [2,0,0,0,0,0|1,1,0]=4 1539 B5R0.2 CCSCC#N 62a_100000210202_100011215382 [2,0,0,0,0,0|1,0,1]=4 1540 B5R0.2 CCSCC#N 62a_100011215382_100000210202 [2,0,0,0,0,0|1,0,1]=4 1541 B5R0.2 CCSCC=O 62a_100000210202_200015260668 [2,0,0,0,0,0|1,0,0]=3 1542 B5R0.2 CCSCC=O 62a_200015260668_100000210202 [2,0,0,0,0,0|1,0,0]=3 1543 B5R0.2 CCSCCF 62a_100000210202_100011217306 [2,0,0,0,0,0|1,0,1]=4 1544 B5R0.2 CCSCCF 62a_100011217306_100000210202 [2,0,0,0,0,0|1,0,1]=4 1545 B5R0.2 CCSCCO 62a_100000210202_100000211926 [2,0,0,0,0,0|1,0,1]=4 1546 B5R0.2 CCSCCO 62a_100000211926_100000210202 [2,0,0,0,0,0|1,0,1]=4 1547 B5R0.2 CCSCOC 62a_100000210202_100000766300 [2,0,0,0,0,0|1,0,1]=4 1548 B5R0.2 CCSCOC 62a_100000766300_100000210202 [2,0,0,0,0,0|1,0,1]=4 1549 B5R0.2 CCSCSC 62a_100000210202_100011218213 [2,0,0,0,0,0|1,0,1]=4 1550 B5R0.2 CCSCSC 62a_100011218213_100000210202 [2,0,0,0,0,0|1,0,1]=4 1551 B5R0.2 O=CCSCF 62a_100015361967_200015260668 [2,0,0,0,0,0|2,0,0]=4 1552 B5R0.2 O=CCSCF 62a_200015260668_100015361967 [2,0,0,0,0,0|2,0,0]=4 1553 B5R0.3 C#CC(=O)CC 1458a_100000211873_100000210202 [2,0,0,0,0,0|0,0,2]=4 1554 B5R0.3 C=CC(=O)CC 1458a_100000185746_100000210202 [2,0,0,0,0,0|0,0,0]=2 1555 B5R0.3 C=CC(=O)CF 1458a_100000185746_100015361967 [2,0,0,0,0,0|1,0,0]=3 1556 B5R0.3 C=CC(=O)NC 1626a_100102657272_100000185746 [2,0,0,0,0,0|1,0,0]=3 1557 B5R0.3 C=CC(=O)NC 240690a_100102657272_200121576911 [2,0,0,0,0,0|1,0,0]=3 1558 B5R0.3 CCC(=O)CC 1458a_100000210414_100000210202 [2,0,0,0,0,0|0,0,1]=3 1559 B5R0.3 CCC(=O)CF 1458a_100000210414_100015361967 [2,0,0,0,0,0|1,0,0]=3 1560 B5R0.3 CCC(=O)CO 1458a_100000210174_100000210202 [2,0,0,0,0,0|1,0,0]=3 1561 B5R0.3 CCC(=O)NC 11a_106832991635_100000210414 [2,0,0,0,0,0|1,0,0]=3 1562 B5R0.3 CCC(=O)NC 1626a_100102657272_100000210414 [2,0,0,0,0,0|1,0,0]=3 1563 B5R0.3 CCC(=O)NC 240690a_100102657272_100000210414 [2,0,0,0,0,0|1,0,0]=3 1564 B5R0.3 CCC(=O)NC 527a_100102657272_100000210414 [2,0,0,0,0,0|1,0,0]=3 1565 B5R0.3 CCC(C)SC 62a_100000758301_200000210301 [2,0,0,0,0,0|1,0,1]=4 1566 B5R0.3 CCC(C)SC 62a_200000210301_100000758301 [2,0,0,0,0,0|1,0,1]=4 1567 B5R0.3 CCC(C)S[13CH3] 62a_100000758301_200025704644 [2,0,0,0,0,0|1,0,1]=4 1568 B5R0.3 CCC(C)S[13CH3] 62a_200025704644_100000758301 [2,0,0,0,0,0|1,0,1]=4 1569 B5R0.3 CNC(=O)CO 240690a_100102657272_100000210174 [2,0,0,0,0,0|2,0,0]=4 1570 B5R0.3 CNC(=O)CO 527a_100102657272_100000210174 [2,0,0,0,0,0|2,0,0]=4 1571 B5R0.3 CNC(=O)NC 2708a_100102657272_106832991635 [2,0,0,0,0,0|2,0,0]=4 1572 B5R0.3 CNC(=O)NC 273464a_100102657272_100102657272 [2,0,0,0,0,0|2,0,0]=4 1573 B5R0.3 CNC(=O)NC 512a_106832991638_100102657272 [2,0,0,0,0,0|2,0,0]=4 1574 B5R0.3 O=C(CO)CF 1458a_100000210174_100015361967 [2,0,0,0,0,0|2,0,0]=4 1575 B7R0.2 C#CC(=O)CC(=C)C 1458a_100000211873_100000748629 [1,1,0,0,0,0|0,0,2]=4 1576 B7R0.2 C#CC(=O)CC(=C)F 1458a_100000211873_100009893438 [1,1,0,0,0,0|0,0,2]=4 1577 B7R0.2 C=C(C)CC(=O)CC 1458a_100000210414_100000748629 [1,1,0,0,0,0|0,0,0]=2 1578 B7R0.2 C=C(C)CC(=O)CO 1458a_100000210174_100000748629 [1,1,0,0,0,0|1,0,0]=3 1579 B7R0.2 C=C(C)CN(C)CC 2230a_100000211296_200000210301 [1,1,0,0,0,0|2,0,0]=4 1580 B7R0.2 C=C(C)CN(C)CC 2230a_100000225621_100000748629 [1,1,0,0,0,0|2,0,0]=4 1581 B7R0.2 C=C(C)CN(C)CC 2230a_100000225649_100000210202 [1,1,0,0,0,0|2,0,0]=4 1582 B7R0.2 C=C(C)CN(C)CC 269982a_100000211296_200000210301 [1,1,0,0,0,0|2,0,0]=4 1583 B7R0.2 C=C(C)CN(C)CC 269982a_100000225621_100000748629 [1,1,0,0,0,0|2,0,0]=4 1584 B7R0.2 C=C(C)CN(C)CC 269982a_100000225649_100000204670 [1,1,0,0,0,0|2,0,0]=4 1585 B7R0.2 C=C(C)CN([13CH3])CC 2230a_100000211296_200025704644 [1,1,0,0,0,0|2,0,0]=4 1586 B7R0.2 C=C(C)CN([13CH3])CC 269982a_100000211296_200025704644 [1,1,0,0,0,0|2,0,0]=4 1587 B7R0.2 C=C(F)CC(=O)CC 1458a_100000210414_100009893438 [1,1,0,0,0,0|0,0,0]=2 1588 B7R0.2 C=C(F)CC(=O)CO 1458a_100000210174_100009893438 [1,1,0,0,0,0|1,0,0]=3 1589 B7R0.2 C=C(F)CN(C)CC 2230a_100000225621_100009893438 [1,1,0,0,0,0|2,0,0]=4 1590 B7R0.2 C=C(F)CN(C)CC 269982a_100000225621_100009893438 [1,1,0,0,0,0|2,0,0]=4 1591 B7R0.2 C=CC(=O)CC(=C)C 1458a_100000185746_100000748629 [1,1,0,0,0,0|0,0,2]=4 1592 B7R0.2 C=CC(=O)CC(=C)F 1458a_100000185746_100009893438 [1,1,0,0,0,0|0,0,2]=4 1593 B7R0.2 CCC(=O)C=C(C)C 1458a_100000211388_100000210202 [1,1,0,0,0,0|0,0,2]=4 1594 B7R0.2 CCC(=O)C=C(C)Cl 1458a_200042562850_100000210202 [1,1,0,0,0,0|0,0,2]=4 1595 B7R0.2 CCC(=O)C=C(C)I 1458a_100025716642_100000210202 [1,1,0,0,0,0|0,0,2]=4 1596 B7R0.2 CCC(=O)C=C(Cl)Cl 1458a_100000137448_100000210202 [1,1,0,0,0,0|1,0,1]=4 1597 B7R0.2 CCC(=O)CC(=O)C 1458a_100000070787_100000747405 [1,1,0,0,0,0|0,0,1]=3 1598 B7R0.2 CCC(=O)CC(=O)N 1458a_100000210414_100000187820 [1,1,0,0,0,0|1,0,0]=3 1599 B7R0.2 CCC(=O)CC(=O)N 1458a_100134613110_100000210202 [1,1,0,0,0,0|1,0,0]=3 1600 B7R0.2 CCC(=O)CC(=O)[O-] 1458a_100000210414_100020667443 [1,1,0,0,0,0|1,0,0]=3 1601 B7R0.2 CCC(=O)CC(C)C 1458a_100000210414_100000210624 [1,1,0,0,0,0|0,0,2]=4 1602 B7R0.2 CCC(=O)CC(C)C 1458a_100000210554_100000210202 [1,1,0,0,0,0|0,0,2]=4 1603 B7R0.2 CCC(=O)CC(C)O 1458a_100000210414_100011218427 [1,1,0,0,0,0|0,0,2]=4 1604 B7R0.2 CCC(=O)CC(F)F 1458a_100000210414_100011934356 [1,1,0,0,0,0|1,0,1]=4 1605 B7R0.2 CCC(=O)CN(C)C 1458a_100000750896_100000210202 [1,1,0,0,0,0|1,0,1]=4 1606 B7R0.2 CCC(=O)CN(C)C 269982a_100102631434_100000747405 [1,1,0,0,0,0|1,0,1]=4 1607 B7R0.2 CCC(=O)C[C@@H](C)O 1458a_100011933948_100000210202 [1,1,0,0,0,0|0,0,2]=4 1608 B7R0.2 CCC(=O)C[N+](=O)[O-] 1458a_100000210414_100000761209 [1,1,0,0,0,0|2,0,0]=4 1609 B7R0.2 CCC(=O)C[S+](C)C 1458a_200159257847_100000210202 [1,1,0,0,0,0|1,0,1]=4 1610 B7R0.2 CCC(=O)NC(C)C 11a_100138425928_100000210414 [1,1,0,0,0,0|1,0,1]=4 1611 B7R0.2 CCC(=O)NC(C)C 1626a_100138425928_100000210414 [1,1,0,0,0,0|1,0,1]=4 1612 B7R0.2 CCC(=O)NC(C)C 240690a_100138425928_100000210414 [1,1,0,0,0,0|1,0,1]=4 1613 B7R0.2 CCC(=O)NC(C)C 527a_100138425928_100000210414 [1,1,0,0,0,0|1,0,1]=4 1614 B7R0.2 CNC(=O)CC(=O)C 1458a_100000070787_100000183359 [1,1,0,0,0,0|1,0,1]=4 1615 B7R0.2 CNC(=O)CC(=O)N 240690a_100102657272_100134613110 [1,1,0,0,0,0|2,0,0]=4 1616 B7R0.2 CNC(=O)CC(=O)N 527a_100102657272_100134613110 [1,1,0,0,0,0|2,0,0]=4 1617 B7R0.2 COC(=O)CC(=O)C 1458a_100000070787_100000747449 [1,1,0,0,0,0|1,0,1]=4 1618 B7R0.2 COC(=O)CC(=O)C 1458a_100000211351_200000210301 [1,1,0,0,0,0|1,0,1]=4 1619 B7R0.2 COC(=O)CC(=O)[13CH3] 1458a_100000211351_200025704644 [1,1,0,0,0,0|1,0,1]=4 1620 B7R0.2 NC(=O)CC(=O)CF 1458a_100134613110_100015361967 [1,1,0,0,0,0|2,0,0]=4 1621 B7R0.2 NC(=O)CC(=O)CO 1458a_100000210174_100000187820 [1,1,0,0,0,0|2,0,0]=4 1622 B7R0.2 O=C([O-])CC(=O)CO 1458a_100000210174_100020667443 [1,1,0,0,0,0|2,0,0]=4 1623 B7R0.5 C#CCC(=O)C(C)C 1458a_100000210198_100000184674 [1,1,0,0,0,0|0,0,2]=4 1624 B7R0.5 C#CCC(=O)C(C)C 1458a_100011220946_100000210206 [1,1,0,0,0,0|0,0,2]=4 1625 B7R0.5 C#CCC(=O)C(C)F 1458a_100000062450_100000184674 [1,1,0,0,0,0|0,0,2]=4 1626 B7R0.5 C#CCC(=O)[C@@H](C)O 1458a_100000717761_100000184674 [1,1,0,0,0,0|0,0,2]=4 1627 B7R0.5 C#CCC(=O)[C@H](C)O 1458a_217856618621_100000184674 [1,1,0,0,0,0|0,0,2]=4 1628 B7R0.5 C=CCC(=O)C(=C)C 1458a_100000185857_100000210623 [1,1,0,0,0,0|0,0,1]=3 1629 B7R0.5 C=CCC(=O)C(C)C 1458a_100000210193_100000210206 [1,1,0,0,0,0|0,0,0]=2 1630 B7R0.5 C=CCC(=O)C(C)C 1458a_100000210198_100000210623 [1,1,0,0,0,0|0,0,0]=2 1631 B7R0.5 C=CCC(=O)C(C)F 1458a_100000062450_100000210623 [1,1,0,0,0,0|0,0,0]=2 1632 B7R0.5 C=CCC(=O)C(O)O 1458a_100000233687_100000210623 [1,1,0,0,0,0|1,0,0]=3 1633 B7R0.5 C=CCC(=O)N(C)C 11a_100102631434_100000210193 [1,1,0,0,0,0|1,0,0]=3 1634 B7R0.5 C=CCC(=O)N(C)C 1626a_100102631434_100000210193 [1,1,0,0,0,0|1,0,0]=3 1635 B7R0.5 C=CCC(=O)N(C)C 240690a_100102631434_100000210193 [1,1,0,0,0,0|1,0,0]=3 1636 B7R0.5 C=CCC(=O)N(C)C 527a_100102631434_100000210193 [1,1,0,0,0,0|1,0,0]=3 1637 B7R0.5 C=CCC(=O)[C@@H](C)O 1458a_100000717761_100000210623 [1,1,0,0,0,0|0,0,0]=2 1638 B7R0.5 C=CCC(=O)[C@H](C)O 1458a_217856618621_100000210623 [1,1,0,0,0,0|0,0,0]=2 1639 B7R0.5 C=CCN(C)C(C)C 2230a_100000225617_100000210206 [1,1,0,0,0,0|2,0,0]=4 1640 B7R0.5 C=CCN(C)C(C)C 2230a_100000742772_200000210301 [1,1,0,0,0,0|2,0,0]=4 1641 B7R0.5 C=CCN(C)C(C)C 269982a_100000225617_100000210206 [1,1,0,0,0,0|2,0,0]=4 1642 B7R0.5 C=CCN(C)C(C)C 269982a_100000742772_200000210301 [1,1,0,0,0,0|2,0,0]=4 1643 B7R0.5 C=CCN(C)C(C)C 269982a_200000211004_100000210623 [1,1,0,0,0,0|2,0,0]=4 1644 B7R0.5 C=CCN([13CH3])C(C)C 2230a_100000742772_200025704644 [1,1,0,0,0,0|2,0,0]=4 1645 B7R0.5 C=CCN([13CH3])C(C)C 269982a_100000742772_200025704644 [1,1,0,0,0,0|2,0,0]=4 1646 B7R0.5 CC(C)C(=O)C=CBr 1458a_100016273825_100000210206 [1,1,0,0,0,0|1,0,1]=4 1647 B7R0.5 CC(C)C(=O)C=CCl 1458a_200016279998_100000210206 [1,1,0,0,0,0|1,0,1]=4 1648 B7R0.5 CC(C)C(=O)C=CI 1458a_100016256311_100000210206 [1,1,0,0,0,0|1,0,1]=4 1649 B7R0.5 CC(C)C(=O)CC#N 1458a_100000210198_100011214920 [1,1,0,0,0,0|1,0,1]=4 1650 B7R0.5 CC(C)C(=O)CC#N 1458a_100051588842_100000210206 [1,1,0,0,0,0|1,0,1]=4 1651 B7R0.5 CC(C)C(=O)CCF 1458a_100000210198_100011217306 [1,1,0,0,0,0|1,0,1]=4 1652 B7R0.5 CC(C)C(=O)CCO 1458a_100000210198_100000211926 [1,1,0,0,0,0|1,0,1]=4 1653 B7R0.5 CC(C)C(=O)CCO 1458a_100011216618_100000210206 [1,1,0,0,0,0|1,0,1]=4 1654 B7R0.5 CC(C)C(=O)CS[13CH3] 62a_100000753385_200025704644 [1,1,0,0,0,0|1,0,1]=4 1655 B7R0.5 CC(C)C(=O)CS[13CH3] 62a_200025704644_100000753385 [1,1,0,0,0,0|1,0,1]=4 1656 B7R0.5 CC(F)C(=O)CC#N 1458a_100000062450_100011214920 [1,1,0,0,0,0|1,0,1]=4 1657 B7R0.5 CC(F)C(=O)CCF 1458a_100000062450_100011217306 [1,1,0,0,0,0|1,0,1]=4 1658 B7R0.5 CC(F)C(=O)CCO 1458a_100000062450_100000211926 [1,1,0,0,0,0|1,0,1]=4 1659 B7R0.5 CC=CC(=O)C(C)C 1458a_100000210699_100000210206 [1,1,0,0,0,0|0,0,2]=4 1660 B7R0.5 CCCC(=O)C(C)C 1458a_100000210198_100000210303 [1,1,0,0,0,0|0,0,2]=4 1661 B7R0.5 CCCC(=O)C(C)C 1458a_100000211992_100000210206 [1,1,0,0,0,0|0,0,2]=4 1662 B7R0.5 CCCC(=O)C(C)F 1458a_100000062450_100000210303 [1,1,0,0,0,0|0,0,2]=4 1663 B7R0.5 CCCC(=O)[C@@H](C)O 1458a_100000717761_100000210303 [1,1,0,0,0,0|0,0,2]=4 1664 B7R0.5 CCCC(=O)[C@H](C)O 1458a_217856618621_100000210303 [1,1,0,0,0,0|0,0,2]=4 1665 B7R0.5 CCNC(=O)C(C)C 11a_100015525214_100000210198 [1,1,0,0,0,0|1,0,1]=4 1666 B7R0.5 CCNC(=O)C(C)C 240690a_100015525214_100000210198 [1,1,0,0,0,0|1,0,1]=4 1667 B7R0.5 CCNC(=O)C(C)C 527a_100015525214_100000210198 [1,1,0,0,0,0|1,0,1]=4 1668 B7R0.5 CCNC(=O)C(C)F 11a_100015525214_100000062450 [1,1,0,0,0,0|1,0,1]=4 1669 B7R0.5 CCNC(=O)C(C)F 240690a_100015525214_100000062450 [1,1,0,0,0,0|1,0,1]=4 1670 B7R0.5 CCNC(=O)C(C)F 527a_100015525214_100000062450 [1,1,0,0,0,0|1,0,1]=4 1671 B7R0.5 CCNC(=O)[C@@H](C)O 240690a_100015525214_100000717761 [1,1,0,0,0,0|1,0,1]=4 1672 B7R0.5 CCNC(=O)[C@H](C)O 240690a_100015525214_217856618621 [1,1,0,0,0,0|1,0,1]=4 1673 B7R0.5 CNCC(=O)C(C)C 2230a_106832991635_100000753385 [1,1,0,0,0,0|1,0,1]=4 1674 B7R0.5 CNCC(=O)C(C)C 34a_100102657272_100000753385 [1,1,0,0,0,0|1,0,1]=4 1675 B7R0.5 CNCC(=O)C(C)C 7a_106832991635_100000753385 [1,1,0,0,0,0|1,0,1]=4 1676 B7R0.5 COCC(=O)C(C)C 1458a_100000210968_100000210206 [1,1,0,0,0,0|1,0,1]=4 1677 B7R0.5 COCC(=O)C(C)C 34a_100138415774_100000753385 [1,1,0,0,0,0|1,0,1]=4 1678 B7R0.5 CSCC(=O)C(C)C 1458a_100000184570_100000210206 [1,1,0,0,0,0|1,0,1]=4 1679 B7R0.5 CSCC(=O)C(C)C 62a_100000753385_200000210301 [1,1,0,0,0,0|1,0,1]=4 1680 B7R0.5 CSCC(=O)C(C)C 62a_200000210301_100000753385 [1,1,0,0,0,0|1,0,1]=4 1681 B7R0.5 C[C@@H](O)C(=O)CC#N 1458a_100000717761_100011214920 [1,1,0,0,0,0|1,0,1]=4 1682 B7R0.5 C[C@@H](O)C(=O)CCF 1458a_100000717761_100011217306 [1,1,0,0,0,0|1,0,1]=4 1683 B7R0.5 C[C@@H](O)C(=O)CCO 1458a_100000717761_100000211926 [1,1,0,0,0,0|1,0,1]=4 1684 B7R0.5 C[C@H](O)C(=O)CC#N 1458a_217856618621_100011214920 [1,1,0,0,0,0|1,0,1]=4 1685 B7R0.5 C[C@H](O)C(=O)CCF 1458a_217856618621_100011217306 [1,1,0,0,0,0|1,0,1]=4 1686 B7R0.5 C[C@H](O)C(=O)CCO 1458a_217856618621_100000211926 [1,1,0,0,0,0|1,0,1]=4 1687 B7R0.7 C#CCC(=O)CC=C 1458a_100000210193_100000184674 [1,1,0,0,0,0|0,0,1]=3 1688 B7R0.7 C#CCC(=O)CC=C 1458a_100011220946_100000210623 [1,1,0,0,0,0|0,0,1]=3 1689 B7R0.7 C#CCC(=O)CCC 1458a_100000211992_100000184674 [1,1,0,0,0,0|0,0,2]=4 1690 B7R0.7 C#CCC(=O)CCC 1458a_100011220946_100000210303 [1,1,0,0,0,0|0,0,2]=4 1691 B7R0.7 C#CCC(=O)CCF 1458a_100011220946_100011217306 [1,1,0,0,0,0|0,0,2]=4 1692 B7R0.7 C#CCC(=O)CCO 1458a_100011216618_100000184674 [1,1,0,0,0,0|0,0,2]=4 1693 B7R0.7 C#CCC(=O)CCO 1458a_100011220946_100000211926 [1,1,0,0,0,0|0,0,2]=4 1694 B7R0.7 C#CCC(=O)COC 1458a_100000210968_100000184674 [1,1,0,0,0,0|0,0,2]=4 1695 B7R0.7 C#CCC(=O)CSC 1458a_100000184570_100000184674 [1,1,0,0,0,0|0,0,2]=4 1696 B7R0.7 C#CCC(=O)NCC 527a_100015525214_100011220946 [1,1,0,0,0,0|0,0,2]=4 1697 B7R0.7 C=CCC(=O)C#CC 1458a_100000763181_100000210623 [1,1,0,0,0,0|0,0,1]=3 1698 B7R0.7 C=CCC(=O)C=CBr 1458a_100016273825_100000210623 [1,1,0,0,0,0|0,0,2]=4 1699 B7R0.7 C=CCC(=O)C=CC 1458a_100000210699_100000210623 [1,1,0,0,0,0|0,0,1]=3 1700 B7R0.7 C=CCC(=O)C=CCl 1458a_200016279998_100000210623 [1,1,0,0,0,0|0,0,2]=4 1701 B7R0.7 C=CCC(=O)C=CI 1458a_100016256311_100000210623 [1,1,0,0,0,0|0,0,2]=4 1702 B7R0.7 C=CCC(=O)CC#N 1458a_100000210193_100011214920 [1,1,0,0,0,0|0,0,1]=3 1703 B7R0.7 C=CCC(=O)CC#N 1458a_100051588842_100000210623 [1,1,0,0,0,0|0,0,1]=3 1704 B7R0.7 C=CCC(=O)CC=C 1458a_100000210193_100000210623 [1,1,0,0,0,0|0,0,1]=3 1705 B7R0.7 C=CCC(=O)CCC 1458a_100000210193_100000210303 [1,1,0,0,0,0|0,0,0]=2 1706 B7R0.7 C=CCC(=O)CCC 1458a_100000211992_100000210623 [1,1,0,0,0,0|0,0,0]=2 1707 B7R0.7 C=CCC(=O)CCF 1458a_100000210193_100011217306 [1,1,0,0,0,0|0,0,0]=2 1708 B7R0.7 C=CCC(=O)CCO 1458a_100000210193_100000211926 [1,1,0,0,0,0|0,0,0]=2 1709 B7R0.7 C=CCC(=O)CCO 1458a_100011216618_100000210623 [1,1,0,0,0,0|0,0,0]=2 1710 B7R0.7 C=CCC(=O)COC 1458a_100000210968_100000210623 [1,1,0,0,0,0|0,0,0]=2 1711 B7R0.7 C=CCC(=O)CSC 1458a_100000184570_100000210623 [1,1,0,0,0,0|0,0,0]=2 1712 B7R0.7 C=CCC(=O)NCC 11a_100015525214_100000210193 [1,1,0,0,0,0|0,0,0]=2 1713 B7R0.7 C=CCC(=O)NCC 240690a_100015525214_100000210193 [1,1,0,0,0,0|0,0,0]=2 1714 B7R0.7 C=CCC(=O)NCC 527a_100015525214_100000210193 [1,1,0,0,0,0|0,0,0]=2 1715 B7R0.7 C=CCC(=O)NNC 22a_100016993582_100000210193 [1,1,0,0,0,0|1,0,0]=3 1716 B7R0.7 C=CCC(C)COC 34a_100009832082_200000210301 [1,1,0,0,0,0|1,0,1]=4 1717 B7R0.7 C=CCC(C)COC 7a_100009832082_200000210301 [1,1,0,0,0,0|1,0,1]=4 1718 B7R0.7 C=CCC(C)CO[13CH3] 34a_100009832082_200025704644 [1,1,0,0,0,0|1,0,1]=4 1719 B7R0.7 C=CCC(C)CO[13CH3] 7a_100009832082_200025704644 [1,1,0,0,0,0|1,0,1]=4 1720 B7R0.7 C=CCN(C)CCC 2230a_100000225617_100000210303 [1,1,0,0,0,0|2,0,0]=4 1721 B7R0.7 C=CCN(C)CCC 2230a_100000747261_100000210623 [1,1,0,0,0,0|2,0,0]=4 1722 B7R0.7 C=CCN(C)CCC 269982a_100000225617_100000210303 [1,1,0,0,0,0|2,0,0]=4 1723 B7R0.7 C=CCN(C)CCC 269982a_100000747261_100000210623 [1,1,0,0,0,0|2,0,0]=4 1724 B7R0.7 C=CCN(C)CCF 2230a_100000225617_100011217306 [1,1,0,0,0,0|2,0,0]=4 1725 B7R0.7 C=CCN(C)CCF 269982a_100000225617_100011217306 [1,1,0,0,0,0|2,0,0]=4 1726 B7R0.7 C=CCN(C)CCO 2230a_100000210263_100000210623 [1,1,0,0,0,0|2,0,0]=4 1727 B7R0.7 C=CCN(C)CCO 2230a_100000225617_100000211926 [1,1,0,0,0,0|2,0,0]=4 1728 B7R0.7 C=CCN(C)CCO 269982a_100000210263_100000210623 [1,1,0,0,0,0|2,0,0]=4 1729 B7R0.7 C=CCN(C)CCO 269982a_100000225617_100000211926 [1,1,0,0,0,0|2,0,0]=4 1730 B7R0.7 C=CCN(C)COC 2230a_100000225617_100000766300 [1,1,0,0,0,0|2,0,0]=4 1731 B7R0.7 C=CCN(C)COC 269982a_100000225617_100000766300 [1,1,0,0,0,0|2,0,0]=4 1732 B7R0.7 C=CCN(C)CSC 2230a_100000225617_100011218213 [1,1,0,0,0,0|2,0,0]=4 1733 B7R0.7 C=CCN(C)CSC 269982a_100000225617_100011218213 [1,1,0,0,0,0|2,0,0]=4 1734 B7R0.7 C=CC[C@@H](C)OCC 34a_100000731007_100000210202 [1,1,0,0,0,0|1,0,1]=4 1735 B7R0.7 C=CC[C@@H](C)OCC 7a_100000731007_100000210202 [1,1,0,0,0,0|1,0,1]=4 1736 B7R0.7 C=CC[C@@H](N)COC 34a_100020615467_200000210301 [1,1,0,0,0,0|1,0,1]=4 1737 B7R0.7 C=CC[C@@H](N)CO[13CH3] 34a_100020615467_200025704644 [1,1,0,0,0,0|1,0,1]=4 1738 B7R0.7 C=COC(=O)CNC 2230a_106832991635_100000036128 [1,1,0,0,0,0|0,1,0]=3 1739 B7R0.7 C=COC(=O)CNC 34a_100102657272_100000036128 [1,1,0,0,0,0|0,1,0]=3 1740 B7R0.7 C=COC(=O)COC 34a_100138415774_100000036128 [1,1,0,0,0,0|0,1,0]=3 1741 B7R0.7 C=COC(=O)CSC 62a_100000036128_200000210301 [1,1,0,0,0,0|0,1,0]=3 1742 B7R0.7 C=COC(=O)CSC 62a_200000210301_100000036128 [1,1,0,0,0,0|0,1,0]=3 1743 B7R0.7 C=COC(=O)CS[13CH3] 62a_100000036128_200025704644 [1,1,0,0,0,0|0,1,0]=3 1744 B7R0.7 C=COC(=O)CS[13CH3] 62a_200025704644_100000036128 [1,1,0,0,0,0|0,1,0]=3 1745 B7R0.7 CC=CC(=O)CCC 1458a_100000210699_100000210303 [1,1,0,0,0,0|0,0,2]=4 1746 B7R0.7 CC=CC(=O)CCF 1458a_100000210699_100011217306 [1,1,0,0,0,0|0,0,2]=4 1747 B7R0.7 CC=CC(=O)CCO 1458a_100000210699_100000211926 [1,1,0,0,0,0|0,0,2]=4 1748 B7R0.7 CC=CC(=O)NCC 11a_100015525214_100000210699 [1,1,0,0,0,0|0,0,2]=4 1749 B7R0.7 CC=CC(=O)NCC 240690a_100015525214_100000210699 [1,1,0,0,0,0|0,0,2]=4 1750 B7R0.7 CCCC(=O)C=CBr 1458a_100016273825_100000210303 [1,1,0,0,0,0|1,0,1]=4 1751 B7R0.7 CCCC(=O)C=CCl 1458a_200016279998_100000210303 [1,1,0,0,0,0|1,0,1]=4 1752 B7R0.7 CCCC(=O)C=CI 1458a_100016256311_100000210303 [1,1,0,0,0,0|1,0,1]=4 1753 B7R0.7 CCCC(=O)CC#N 1458a_100000211992_100011214920 [1,1,0,0,0,0|1,0,1]=4 1754 B7R0.7 CCCC(=O)CC#N 1458a_100051588842_100000210303 [1,1,0,0,0,0|1,0,1]=4 1755 B7R0.7 CCCC(=O)CCC 1458a_100000211992_100000210303 [1,1,0,0,0,0|0,0,2]=4 1756 B7R0.7 CCCC(=O)CCF 1458a_100000211992_100011217306 [1,1,0,0,0,0|0,0,2]=4 1757 B7R0.7 CCCC(=O)CCO 1458a_100000211992_100000211926 [1,1,0,0,0,0|0,0,2]=4 1758 B7R0.7 CCCC(=O)CCO 1458a_100011216618_100000210303 [1,1,0,0,0,0|0,0,2]=4 1759 B7R0.7 CCCC(=O)CNC 2230a_106832991635_100000747444 [1,1,0,0,0,0|0,0,2]=4 1760 B7R0.7 CCCC(=O)CNC 7a_106832991635_100000747444 [1,1,0,0,0,0|0,0,2]=4 1761 B7R0.7 CCCC(=O)COC 1458a_100000210968_100000210303 [1,1,0,0,0,0|0,0,2]=4 1762 B7R0.7 CCCC(=O)CSC 1458a_100000184570_100000210303 [1,1,0,0,0,0|0,0,2]=4 1763 B7R0.7 CCCC(=O)CSC 62a_100000747444_200000210301 [1,1,0,0,0,0|0,0,2]=4 1764 B7R0.7 CCCC(=O)CSC 62a_200000210301_100000747444 [1,1,0,0,0,0|0,0,2]=4 1765 B7R0.7 CCCC(=O)CS[13CH3] 62a_100000747444_200025704644 [1,1,0,0,0,0|0,0,2]=4 1766 B7R0.7 CCCC(=O)CS[13CH3] 62a_200025704644_100000747444 [1,1,0,0,0,0|0,0,2]=4 1767 B7R0.7 CCCC(=O)NCC 11a_100015525214_100000211992 [1,1,0,0,0,0|0,0,2]=4 1768 B7R0.7 CCCC(=O)NCC 240690a_100015525214_100000211992 [1,1,0,0,0,0|0,0,2]=4 1769 B7R0.7 CCCC(=O)NCC 527a_100015525214_100000211992 [1,1,0,0,0,0|0,0,2]=4 1770 B7R0.7 CCNC(=O)C=CBr 240690a_100015525214_100016273825 [1,1,0,0,0,0|1,0,1]=4 1771 B7R0.7 CCNC(=O)C=CCl 11a_100015525214_200016279998 [1,1,0,0,0,0|1,0,1]=4 1772 B7R0.7 CCNC(=O)C=CCl 240690a_100015525214_200016279998 [1,1,0,0,0,0|1,0,1]=4 1773 B7R0.7 CCNC(=O)CC#N 240690a_100015525214_100051588842 [1,1,0,0,0,0|1,0,1]=4 1774 B7R0.7 CCNC(=O)CCO 240690a_100015525214_100011216618 [1,1,0,0,0,0|1,0,1]=4 1775 B7R0.7 CCNC(=O)CNC 2230a_100016988866_200000210301 [1,1,0,0,0,0|1,0,1]=4 1776 B7R0.7 CCNC(=O)CNC 2230a_106832991635_100000183381 [1,1,0,0,0,0|1,0,1]=4 1777 B7R0.7 CCNC(=O)CNC 34a_100102657272_100000183381 [1,1,0,0,0,0|1,0,1]=4 1778 B7R0.7 CCNC(=O)CNC 7a_106832991635_100000183381 [1,1,0,0,0,0|1,0,1]=4 1779 B7R0.7 CCNC(=O)CN[13CH3] 2230a_100016988866_200025704644 [1,1,0,0,0,0|1,0,1]=4 1780 B7R0.7 CCNC(=O)COC 11a_100015525214_100000210968 [1,1,0,0,0,0|1,0,1]=4 1781 B7R0.7 CCNC(=O)COC 240690a_100015525214_100000210968 [1,1,0,0,0,0|1,0,1]=4 1782 B7R0.7 CCNC(=O)COC 34a_100138415774_100000183381 [1,1,0,0,0,0|1,0,1]=4 1783 B7R0.7 CCNC(=O)COC 527a_100015525214_100000210968 [1,1,0,0,0,0|1,0,1]=4 1784 B7R0.7 CCNC(=O)CSC 11a_100015525214_100000184570 [1,1,0,0,0,0|1,0,1]=4 1785 B7R0.7 CCNC(=O)CSC 240690a_100015525214_100000184570 [1,1,0,0,0,0|1,0,1]=4 1786 B7R0.7 CCNC(=O)CSC 527a_100015525214_100000184570 [1,1,0,0,0,0|1,0,1]=4 1787 B7R0.7 CCNC(=O)CSC 62a_100000183381_200000210301 [1,1,0,0,0,0|1,0,1]=4 1788 B7R0.7 CCNC(=O)CSC 62a_200000210301_100000183381 [1,1,0,0,0,0|1,0,1]=4 1789 B7R0.7 CCNC(=O)CS[13CH3] 62a_100000183381_200025704644 [1,1,0,0,0,0|1,0,1]=4 1790 B7R0.7 CCNC(=O)CS[13CH3] 62a_200025704644_100000183381 [1,1,0,0,0,0|1,0,1]=4 1791 B7R0.7 CCNC(=O)NCC 2708a_100015525214_100015525214 [1,1,0,0,0,0|1,0,1]=4 1792 B7R0.7 CCNC(=O)NCC 273464a_100015525214_100015525214 [1,1,0,0,0,0|1,0,1]=4 1793 B7R0.7 CCNC(=O)NCC 512a_100015525214_100015525214 [1,1,0,0,0,0|1,0,1]=4 1794 B7R0.7 CCOC(=O)CNC 2230a_106832991635_100000188475 [1,1,0,0,0,0|0,1,1]=4 1795 B7R0.7 CCOC(=O)CNC 34a_100102657272_100000188475 [1,1,0,0,0,0|0,1,1]=4 1796 B7R0.7 CCOC(=O)CNC 7a_106832991635_100000188475 [1,1,0,0,0,0|0,1,1]=4 1797 B7R0.7 CCOC(=O)COC 34a_100138415774_100000188475 [1,1,0,0,0,0|0,1,1]=4 1798 B7R0.7 CCOC(=O)CSC 62a_100000188475_200000210301 [1,1,0,0,0,0|0,1,1]=4 1799 B7R0.7 CCOC(=O)CSC 62a_200000210301_100000188475 [1,1,0,0,0,0|0,1,1]=4 1800 B7R0.7 CCOC(=O)CS[13CH3] 62a_100000188475_200025704644 [1,1,0,0,0,0|0,1,1]=4 1801 B7R0.7 CCOC(=O)CS[13CH3] 62a_200025704644_100000188475 [1,1,0,0,0,0|0,1,1]=4 1802 B7R0.7 CNCC(=O)NCO 2230a_106832991635_100000185155 [1,1,0,0,0,0|2,0,0]=4 1803 B7R0.7 CNCC(=O)NCO 34a_100102657272_100000185155 [1,1,0,0,0,0|2,0,0]=4 1804 B7R0.7 CNCC(=O)NCO 7a_106832991635_100000185155 [1,1,0,0,0,0|2,0,0]=4 1805 B7R0.7 COCC(=O)CC#N 1458a_100000210968_100011214920 [1,1,0,0,0,0|1,0,1]=4 1806 B7R0.7 COCC(=O)CCF 1458a_100000210968_100011217306 [1,1,0,0,0,0|1,0,1]=4 1807 B7R0.7 COCC(=O)CCO 1458a_100000210968_100000211926 [1,1,0,0,0,0|1,0,1]=4 1808 B7R0.7 COCC(=O)NCO 34a_100138415774_100000185155 [1,1,0,0,0,0|2,0,0]=4 1809 B7R0.7 CSCC(=O)CC#N 1458a_100000184570_100011214920 [1,1,0,0,0,0|1,0,1]=4 1810 B7R0.7 CSCC(=O)CCF 1458a_100000184570_100011217306 [1,1,0,0,0,0|1,0,1]=4 1811 B7R0.7 CSCC(=O)CCO 1458a_100000184570_100000211926 [1,1,0,0,0,0|1,0,1]=4 1812 B7R0.7 CSCC(=O)NCO 62a_100000185155_200000210301 [1,1,0,0,0,0|2,0,0]=4 1813 B7R0.7 CSCC(=O)NCO 62a_200000210301_100000185155 [1,1,0,0,0,0|2,0,0]=4 1814 B7R0.7 N#CCC(=O)CCF 1458a_100051588842_100011217306 [1,1,0,0,0,0|1,0,1]=4 1815 B7R0.7 N#CCC(=O)CCO 1458a_100011216618_100011214920 [1,1,0,0,0,0|1,0,1]=4 1816 B7R0.7 N#CCC(=O)CCO 1458a_100051588842_100000211926 [1,1,0,0,0,0|1,0,1]=4 1817 B7R0.7 O=C(C=CBr)CCF 1458a_100016273825_100011217306 [1,1,0,0,0,0|1,0,1]=4 1818 B7R0.7 O=C(C=CBr)CCO 1458a_100016273825_100000211926 [1,1,0,0,0,0|1,0,1]=4 1819 B7R0.7 O=C(C=CCl)CCF 1458a_200016279998_100011217306 [1,1,0,0,0,0|1,0,1]=4 1820 B7R0.7 O=C(C=CCl)CCO 1458a_200016279998_100000211926 [1,1,0,0,0,0|1,0,1]=4 1821 B7R0.7 O=C(C=CI)CCF 1458a_100016256311_100011217306 [1,1,0,0,0,0|1,0,1]=4 1822 B7R0.7 O=C(C=CI)CCO 1458a_100016256311_100000211926 [1,1,0,0,0,0|1,0,1]=4 1823 B7R0.7 O=C(CCO)CCF 1458a_100011216618_100011217306 [1,1,0,0,0,0|1,0,1]=4 1824 B7R0.7 O=C(CCO)CCO 1458a_100011216618_100000211926 [1,1,0,0,0,0|1,0,1]=4 1825 B7R0.7 [13CH3]SCC(=O)NCO 62a_100000185155_200025704644 [1,1,0,0,0,0|2,0,0]=4 1826 B7R0.7 [13CH3]SCC(=O)NCO 62a_200025704644_100000185155 [1,1,0,0,0,0|2,0,0]=4 1827 B7R0.10 C#CC(C)C(=O)CC 1458a_100000210414_200000035995 [1,1,0,0,0,0|0,0,2]=4 1828 B7R0.10 C/C=C(\C)/C(=O)CC 1458a_100020587367_100000210202 [1,1,0,0,0,0|0,0,2]=4 1829 B7R0.10 C=CC(C)C(=O)CC 1458a_100011216780_100000210202 [1,1,0,0,0,0|0,0,0]=2 1830 B7R0.10 C=CC(C)C(=O)CF 1458a_100011216780_100015361967 [1,1,0,0,0,0|1,0,0]=3 1831 B7R0.10 C=CC(C)C(=O)NC 11a_106832991635_100011216780 [1,1,0,0,0,0|1,0,0]=3 1832 B7R0.10 C=CC(C)C(=O)NC 1626a_100102657272_100011216780 [1,1,0,0,0,0|1,0,0]=3 1833 B7R0.10 C=CC(C)C(=O)NC 240690a_100102657272_100011216780 [1,1,0,0,0,0|1,0,0]=3 1834 B7R0.10 C=CC(C)C(=O)NC 527a_100102657272_100011216780 [1,1,0,0,0,0|1,0,0]=3 1835 B7R0.10 C=CC(C)N(C)CC 269982a_100000225621_100011215867 [1,1,0,0,0,0|2,0,0]=4 1836 B7R0.10 CCC(=O)C(C)C#N 1458a_100000210414_100000703298 [1,1,0,0,0,0|1,0,1]=4 1837 B7R0.10 CCC(=O)C(C)C#N 1458a_100000753662_100000210202 [1,1,0,0,0,0|1,0,1]=4 1838 B7R0.10 CCC(=O)C(C)CC 1458a_100000210414_100000758301 [1,1,0,0,0,0|0,0,2]=4 1839 B7R0.10 CCC(=O)C(C)CC 1458a_100011192722_100000210202 [1,1,0,0,0,0|0,0,2]=4 1840 B7R0.10 CCC(=O)C(C)NC 2230a_106832991635_100000742827 [1,1,0,0,0,0|1,0,1]=4 1841 B7R0.10 CCC(=O)C(C)NC 7a_106832991635_100000742827 [1,1,0,0,0,0|1,0,1]=4 1842 B7R0.10 CCC(=O)C(C)OC 1458a_100000743197_100000210202 [1,1,0,0,0,0|1,0,1]=4 1843 B7R0.10 CCC(=O)C(C)SC 1458a_100000149566_100000210202 [1,1,0,0,0,0|1,0,1]=4 1844 B7R0.10 CCC(=O)C(C)SC 62a_100000742827_200000210301 [1,1,0,0,0,0|1,0,1]=4 1845 B7R0.10 CCC(=O)C(C)SC 62a_200000210301_100000742827 [1,1,0,0,0,0|1,0,1]=4 1846 B7R0.10 CCC(=O)C(C)S[13CH3] 62a_100000742827_200025704644 [1,1,0,0,0,0|1,0,1]=4 1847 B7R0.10 CCC(=O)C(C)S[13CH3] 62a_200025704644_100000742827 [1,1,0,0,0,0|1,0,1]=4 1848 B7R0.10 CCC(=O)C(O)CC 1458a_100011196387_100000210202 [1,1,0,0,0,0|0,0,2]=4 1849 B7R0.10 CCC(=O)C(O)CO 1458a_100011215603_100000210202 [1,1,0,0,0,0|1,0,1]=4 1850 B7R0.10 CCC(=O)N(C)CC 11a_100000225621_100000210414 [1,1,0,0,0,0|1,0,1]=4 1851 B7R0.10 CCC(=O)N(C)CC 1626a_100000225621_100000210414 [1,1,0,0,0,0|1,0,1]=4 1852 B7R0.10 CCC(=O)N(C)CC 240690a_100000225621_100000210414 [1,1,0,0,0,0|1,0,1]=4 1853 B7R0.10 CCC(=O)N(C)CC 527a_100000225621_100000210414 [1,1,0,0,0,0|1,0,1]=4 1854 B7R0.11 C=CCS(=O)(=O)NC 270084a_100102657272_100000751117 [1,1,0,0,0,0|2,0,0]=4 1855 B7R0.11 C=CCS(=O)(=O)NC 274078a_100102657272_100000751117 [1,1,0,0,0,0|2,0,0]=4 1856 B7R0.12 C=CCN(CC)CC 2230a_100000724800_100000210623 [1,1,0,0,0,0|2,0,0]=4 1857 B7R0.12 C=CCN(CC)CC 269956a_100000042499_100000210623 [1,1,0,0,0,0|2,0,0]=4 1858 B7R0.12 C=CCN(CC)CC 269982a_100000724800_100000210623 [1,1,0,0,0,0|2,0,0]=4 1859 B7R0.4 C/C=C/C=CC(=O)C 1458a_100000185730_200000210301 [1,1,0,0,0,0|1,0,1]=4 1860 B7R0.4 C/C=C/C=CC(=O)[13CH3] 1458a_100000185730_200025704644 [1,1,0,0,0,0|1,0,1]=4 1861 B7R0.4 C/C=C/CSC(C)C 62a_100000210206_100102629194 [1,1,0,0,0,0|1,0,1]=4 1862 B7R0.4 C/C=C/CSC(C)C 62a_100102629194_100000210206 [1,1,0,0,0,0|1,0,1]=4 1863 B7R0.4 C=C(C)CSCC=O 62a_100000748629_200015260668 [1,1,0,0,0,0|2,0,0]=4 1864 B7R0.4 C=C(C)CSCC=O 62a_200015260668_100000211660 [1,1,0,0,0,0|2,0,0]=4 1865 B7R0.4 C=CCCCC(=O)C 1458a_100000070787_100000757094 [1,1,0,0,0,0|1,0,0]=3 1866 B7R0.4 C=CCCCC(=O)C 1458a_100000766728_200000210301 [1,1,0,0,0,0|1,0,0]=3 1867 B7R0.4 C=CCCCC(=O)[13CH3] 1458a_100000766728_200025704644 [1,1,0,0,0,0|1,0,0]=3 1868 B7R0.4 C=CCCNC(=O)C 11a_100015191253_100015343762 [1,1,0,0,0,0|1,0,0]=3 1869 B7R0.4 C=CCCNC(=O)C 1626a_100015191253_100015343762 [1,1,0,0,0,0|1,0,0]=3 1870 B7R0.4 C=CCCNC(=O)C 240690a_100015191253_100015343762 [1,1,0,0,0,0|1,0,0]=3 1871 B7R0.4 C=CCCNC(=O)C 527a_100015191253_100103153847 [1,1,0,0,0,0|1,0,0]=3 1872 B7R0.4 C=CCCSC(C)C 62a_100000210206_100000754431 [1,1,0,0,0,0|1,0,1]=4 1873 B7R0.4 C=CCCSC(C)C 62a_100000754431_100000210206 [1,1,0,0,0,0|1,0,1]=4 1874 B7R0.4 C=CCNCC(=C)C 2230a_100020586998_100000748629 [1,1,0,0,0,0|2,0,0]=4 1875 B7R0.4 C=CCNCC(=O)N 2230a_100000711301_100000210623 [1,1,0,0,0,0|2,0,0]=4 1876 B7R0.4 C=CCNCC(=O)N 2230a_100020586998_100000747473 [1,1,0,0,0,0|2,0,0]=4 1877 B7R0.4 C=CCNCC(=O)O 269956a_100016091260_100000210623 [1,1,0,0,0,0|2,0,0]=4 1878 B7R0.4 C=CCNNC(=O)C 22a_100020588587_100000070787 [1,1,0,0,0,0|1,0,0]=3 1879 B7R0.4 C=CCOCC(=C)C 34a_100000210245_100015514636 [1,1,0,0,0,0|1,1,0]=4 1880 B7R0.4 C=CCOCC(=C)C 34a_200000210373_100000748629 [1,1,0,0,0,0|1,1,0]=4 1881 B7R0.4 C=CCOCC(=O)C 34a_100000211253_100015514636 [1,1,0,0,0,0|0,1,0]=3 1882 B7R0.4 C=CCOCC(=O)N 34a_200000210373_100000187820 [1,1,0,0,0,0|1,1,0]=4 1883 B7R0.4 C=CCOCC(=O)[O-] 34a_200000210373_100020667443 [1,1,0,0,0,0|1,1,0]=4 1884 B7R0.4 C=CCSCC(=C)C 62a_100000210623_100000211660 [1,1,0,0,0,0|1,0,0]=3 1885 B7R0.4 C=CCSCC(=C)C 62a_100000748629_100000210623 [1,1,0,0,0,0|1,0,0]=3 1886 B7R0.4 C=CCSCC(=C)F 62a_100000042424_100000210623 [1,1,0,0,0,0|1,0,1]=4 1887 B7R0.4 C=CCSCC(=C)F 62a_100000210623_100000042424 [1,1,0,0,0,0|1,0,1]=4 1888 B7R0.4 C=CCSCC(=O)C 1458a_100000230395_200000210301 [1,1,0,0,0,0|0,0,0]=2 1889 B7R0.4 C=CCSCC(=O)N 62a_100000210623_100000747473 [1,1,0,0,0,0|1,0,0]=3 1890 B7R0.4 C=CCSCC(=O)N 62a_100000747473_100000210623 [1,1,0,0,0,0|1,0,0]=3 1891 B7R0.4 C=CCSCC(=O)[13CH3] 1458a_100000230395_200025704644 [1,1,0,0,0,0|0,0,0]=2 1892 B7R0.4 C=CCSCC(=O)[O-] 62a_100000210623_100020667443 [1,1,0,0,0,0|1,0,0]=3 1893 B7R0.4 C=CCSCC(=O)[O-] 62a_100020667443_100000210623 [1,1,0,0,0,0|1,0,0]=3 1894 B7R0.4 C=CCSCC(C)C 62a_100000210623_100000210760 [1,1,0,0,0,0|1,0,1]=4 1895 B7R0.4 C=CCSCC(C)C 62a_100000210624_100000210623 [1,1,0,0,0,0|1,0,1]=4 1896 B7R0.4 C=CCSCC(C)O 62a_100000210623_100011218427 [1,1,0,0,0,0|0,0,2]=4 1897 B7R0.4 C=CCSCC(C)O 62a_100011218427_100000210623 [1,1,0,0,0,0|0,0,2]=4 1898 B7R0.4 C=CCSC[C@@H](C)O 62a_100000210623_100009817552 [1,1,0,0,0,0|0,0,2]=4 1899 B7R0.4 C=CCSC[C@@H](C)O 62a_100009817552_100000210623 [1,1,0,0,0,0|0,0,2]=4 1900 B7R0.4 C=CCSC[N+](=O)[O-] 62a_100000210623_100000761209 [1,1,0,0,0,0|2,0,0]=4 1901 B7R0.4 C=COCCC(=O)C 1458a_100000070787_100000039644 [1,1,0,0,0,0|1,0,0]=3 1902 B7R0.4 CC(=O)COCC=O 34a_100000211253_200009817547 [1,1,0,0,0,0|1,1,0]=4 1903 B7R0.4 CC(=O)CSCC#N 1458a_100000150266_200000210301 [1,1,0,0,0,0|1,0,1]=4 1904 B7R0.4 CC=CCSC(C)C 62a_100000070051_100000210206 [1,1,0,0,0,0|1,0,1]=4 1905 B7R0.4 CC=CCSC(C)C 62a_100000210206_100000070051 [1,1,0,0,0,0|1,0,1]=4 1906 B7R0.4 CCCSCC(=O)C 1458a_100000217233_200000210301 [1,1,0,0,0,0|0,0,2]=4 1907 B7R0.4 CCCSCC(=O)[13CH3] 1458a_100000217233_200025704644 [1,1,0,0,0,0|0,0,2]=4 1908 B7R0.4 NC(=O)CSCC=O 62a_100000747473_200015260668 [1,1,0,0,0,0|2,0,0]=4 1909 B7R0.4 NC(=O)CSCC=O 62a_200015260668_100000747473 [1,1,0,0,0,0|2,0,0]=4 1910 B7R0.4 O=CCSCC(=O)[O-] 62a_100020667443_200015260668 [1,1,0,0,0,0|2,0,0]=4 1911 B7R0.4 O=CCSCC(=O)[O-] 62a_200015260668_100020667443 [1,1,0,0,0,0|2,0,0]=4 1912 B7R0.4 [13CH3]C(=O)CSCC#N 1458a_100000150266_200025704644 [1,1,0,0,0,0|1,0,1]=4 1913 B7R0.6 C=C(C)CCC(=O)C 1458a_100000070787_100000730704 [1,1,0,0,0,0|1,0,0]=3 1914 B7R0.6 C=C(C)CCC(=O)C 1458a_200000688413_200000210301 [1,1,0,0,0,0|1,0,0]=3 1915 B7R0.6 C=C(C)CCC(=O)[13CH3] 1458a_200000688413_200025704644 [1,1,0,0,0,0|1,0,0]=3 1916 B7R0.6 C=C(C)CNC(=O)C 11a_100000765925_100015343762 [1,1,0,0,0,0|1,0,0]=3 1917 B7R0.6 C=C(C)CNC(=O)C 1626a_100000765925_100015343762 [1,1,0,0,0,0|1,0,0]=3 1918 B7R0.6 C=C(C)CNC(=O)C 240690a_100000765925_100015343762 [1,1,0,0,0,0|1,0,0]=3 1919 B7R0.6 C=C(C)CNC(=O)C 527a_100000765925_100103153847 [1,1,0,0,0,0|1,0,0]=3 1920 B7R0.6 C=C(C)CSC(C)C 62a_100000210206_100000211660 [1,1,0,0,0,0|1,0,1]=4 1921 B7R0.6 C=C(C)CSC(C)C 62a_100000748629_100000210206 [1,1,0,0,0,0|1,0,1]=4 1922 B7R0.6 C=C(F)CSC(C)C 62a_100000042424_100000210206 [1,1,0,0,0,0|1,0,1]=4 1923 B7R0.6 C=C(F)CSC(C)C 62a_100000210206_100000042424 [1,1,0,0,0,0|1,0,1]=4 1924 B7R0.6 CC(=O)CCC(=O)N 1458a_100011215257_200000210301 [1,1,0,0,0,0|2,0,0]=4 1925 B7R0.6 CC(=O)CNC(=O)C 1458a_100000194580_200000210301 [1,1,0,0,0,0|1,0,1]=4 1926 B7R0.6 CC(=O)COC(=O)C 1458a_100000183556_200000210301 [1,1,0,0,0,0|0,1,1]=4 1927 B7R0.6 CC(=O)CSC(=O)C 1458a_100000049016_200000210301 [1,1,0,0,0,0|0,0,1]=3 1928 B7R0.6 CC(=O)NCC(=O)N 11a_100000711301_100015343762 [1,1,0,0,0,0|2,0,0]=4 1929 B7R0.6 CC(=O)NCC(=O)N 240690a_100000711301_100015343762 [1,1,0,0,0,0|2,0,0]=4 1930 B7R0.6 CC(=O)NCC(=O)N 527a_100000711301_100103153847 [1,1,0,0,0,0|2,0,0]=4 1931 B7R0.6 CC(=O)NCC(=O)[13CH3] 1458a_100000194580_200025704644 [1,1,0,0,0,0|1,0,1]=4 1932 B7R0.6 CC(=O)OCC(=O)[13CH3] 1458a_100000183556_200025704644 [1,1,0,0,0,0|0,1,1]=4 1933 B7R0.6 CC(=O)SCC(=O)[13CH3] 1458a_100000049016_200025704644 [1,1,0,0,0,0|0,0,1]=3 1934 B7R0.6 [13CH3]C(=O)CCC(=O)N 1458a_100011215257_200025704644 [1,1,0,0,0,0|2,0,0]=4 1935 B7R0.8 C=CCNS(=O)(=O)C 40a_100020586998_100000738038 [1,1,0,0,0,0|2,0,0]=4 1936 B7R0.8 C=CCSC(C)(C)C 62a_100000210623_100000211941 [1,1,0,0,0,0|1,0,1]=4 1937 B7R0.8 C=CCSC(C)(C)C 62a_100000211941_100000210623 [1,1,0,0,0,0|1,0,1]=4 1938 B7R0.1 C#CCCSCC=C 62a_100000210623_100000688953 [1,1,0,0,0,0|0,0,2]=4 1939 B7R0.1 C#CCCSCC=C 62a_100000688953_100000210623 [1,1,0,0,0,0|0,0,2]=4 1940 B7R0.1 C/C=C/CCOCC 34a_100016278192_100000210202 [1,1,0,0,0,0|2,0,0]=4 1941 B7R0.1 C/C=C/COCCC 34a_100000210258_100102629194 [1,1,0,0,0,0|0,1,1]=4 1942 B7R0.1 C/C=C/COCCC 34a_100016270725_100000210303 [1,1,0,0,0,0|0,1,1]=4 1943 B7R0.1 C/C=C/CSCC=O 62a_100102629194_200015260668 [1,1,0,0,0,0|1,0,1]=4 1944 B7R0.1 C/C=C/CSCC=O 62a_200015260668_100102629194 [1,1,0,0,0,0|1,0,1]=4 1945 B7R0.1 C/C=C/CSCCC 62a_100000210303_100102629194 [1,1,0,0,0,0|0,0,1]=3 1946 B7R0.1 C/C=C/CSCCC 62a_100102629194_100000210303 [1,1,0,0,0,0|0,0,1]=3 1947 B7R0.1 C/C=C/CSCCF 62a_100011217306_100102629194 [1,1,0,0,0,0|1,0,1]=4 1948 B7R0.1 C/C=C/CSCCF 62a_100102629194_100011217306 [1,1,0,0,0,0|1,0,1]=4 1949 B7R0.1 C/C=C/CSCCO 62a_100000211926_100102629194 [1,1,0,0,0,0|1,0,1]=4 1950 B7R0.1 C/C=C/CSCCO 62a_100102629194_100000211926 [1,1,0,0,0,0|1,0,1]=4 1951 B7R0.1 C/C=C/CSCOC 62a_100000766300_100102629194 [1,1,0,0,0,0|1,0,1]=4 1952 B7R0.1 C/C=C/CSCOC 62a_100102629194_100000766300 [1,1,0,0,0,0|1,0,1]=4 1953 B7R0.1 C/C=C/CSCSC 62a_100011218213_100102629194 [1,1,0,0,0,0|1,0,1]=4 1954 B7R0.1 C/C=C/CSCSC 62a_100102629194_100011218213 [1,1,0,0,0,0|1,0,1]=4 1955 B7R0.1 C=CCCCCNC 2230a_100000703577_200000210301 [1,1,0,0,0,0|1,0,1]=4 1956 B7R0.1 C=CCCCCNC 2230a_106832991635_100011215482 [1,1,0,0,0,0|1,0,1]=4 1957 B7R0.1 C=CCCCCNC 34a_100000703577_200000210301 [1,1,0,0,0,0|1,0,1]=4 1958 B7R0.1 C=CCCCCNC 34a_100102657272_100011215482 [1,1,0,0,0,0|1,0,1]=4 1959 B7R0.1 C=CCCCCNC 7a_106832991635_100011215482 [1,1,0,0,0,0|1,0,1]=4 1960 B7R0.1 C=CCCCCN[13CH3] 2230a_100000703577_200025704644 [1,1,0,0,0,0|1,0,1]=4 1961 B7R0.1 C=CCCCCN[13CH3] 34a_100000703577_200025704644 [1,1,0,0,0,0|1,0,1]=4 1962 B7R0.1 C=CCCCCOC 34a_100000766645_200000210301 [1,1,0,0,0,0|1,0,1]=4 1963 B7R0.1 C=CCCCCOC 34a_100138415774_100011215482 [1,1,0,0,0,0|1,0,1]=4 1964 B7R0.1 C=CCCCCOC 7a_100000766645_200000210301 [1,1,0,0,0,0|1,0,1]=4 1965 B7R0.1 C=CCCCCO[13CH3] 34a_100000766645_200025704644 [1,1,0,0,0,0|1,0,1]=4 1966 B7R0.1 C=CCCCCO[13CH3] 7a_100000766645_200025704644 [1,1,0,0,0,0|1,0,1]=4 1967 B7R0.1 C=CCCCCSC 62a_100011215482_200000210301 [1,1,0,0,0,0|1,0,1]=4 1968 B7R0.1 C=CCCCCSC 62a_200000210301_100011215482 [1,1,0,0,0,0|1,0,1]=4 1969 B7R0.1 C=CCCCCS[13CH3] 62a_100011215482_200025704644 [1,1,0,0,0,0|1,0,1]=4 1970 B7R0.1 C=CCCCCS[13CH3] 62a_200025704644_100011215482 [1,1,0,0,0,0|1,0,1]=4 1971 B7R0.1 C=CCCCNCC 2230a_100000700776_100000210202 [1,1,0,0,0,0|1,0,1]=4 1972 B7R0.1 C=CCCCNCC 2230a_100015525214_100011713584 [1,1,0,0,0,0|1,0,1]=4 1973 B7R0.1 C=CCCCNCC 34a_100000700776_100000210202 [1,1,0,0,0,0|1,0,1]=4 1974 B7R0.1 C=CCCCOCC 34a_100000758997_100000210202 [1,1,0,0,0,0|1,0,1]=4 1975 B7R0.1 C=CCCCOCC 34a_100121572206_100000757094 [1,1,0,0,0,0|1,0,1]=4 1976 B7R0.1 C=CCCCOCC 7a_100000758997_100000210202 [1,1,0,0,0,0|1,0,1]=4 1977 B7R0.1 C=CCCCSCC 62a_100000210202_100000757094 [1,1,0,0,0,0|1,0,1]=4 1978 B7R0.1 C=CCCCSCC 62a_100011713584_100000210202 [1,1,0,0,0,0|1,0,1]=4 1979 B7R0.1 C=CCCNCCC 2230a_100015191253_100000210303 [1,1,0,0,0,0|1,0,1]=4 1980 B7R0.1 C=CCCNCCF 2230a_100015191253_100011217306 [1,1,0,0,0,0|2,0,0]=4 1981 B7R0.1 C=CCCNCCF 34a_100000724931_100000754431 [1,1,0,0,0,0|2,0,0]=4 1982 B7R0.1 C=CCCNCCO 2230a_100015191253_100000211926 [1,1,0,0,0,0|2,0,0]=4 1983 B7R0.1 C=CCCNCCO 2230a_100016997473_100000754431 [1,1,0,0,0,0|2,0,0]=4 1984 B7R0.1 C=CCCNCCO 34a_100016990907_100000754431 [1,1,0,0,0,0|2,0,0]=4 1985 B7R0.1 C=CCCNCOC 2230a_100015191253_100000766300 [1,1,0,0,0,0|2,0,0]=4 1986 B7R0.1 C=CCCNCSC 2230a_100015191253_100011218213 [1,1,0,0,0,0|2,0,0]=4 1987 B7R0.1 C=CCCOCCBr 34a_100000211926_100000754431 [1,1,0,0,0,0|2,0,0]=4 1988 B7R0.1 C=CCCOCCC 34a_100000210258_100000754431 [1,1,0,0,0,0|0,1,1]=4 1989 B7R0.1 C=CCCOCCC 34a_100011205117_100000210303 [1,1,0,0,0,0|0,1,1]=4 1990 B7R0.1 C=CCCOCCF 34a_100011205117_100011217306 [1,1,0,0,0,0|2,0,0]=4 1991 B7R0.1 C=CCCOCCN 34a_100000210304_100000754431 [1,1,0,0,0,0|2,0,0]=4 1992 B7R0.1 C=CCCOCCO 34a_100011205117_100000211926 [1,1,0,0,0,0|2,0,0]=4 1993 B7R0.1 C=CCCOCSC 34a_100011205117_100011218213 [1,1,0,0,0,0|2,0,0]=4 1994 B7R0.1 C=CCCSCC=C 62a_100000210623_100000754431 [1,1,0,0,0,0|0,0,2]=4 1995 B7R0.1 C=CCCSCC=C 62a_100000754431_100000210623 [1,1,0,0,0,0|0,0,2]=4 1996 B7R0.1 C=CCCSCCC 62a_100000210303_100000754431 [1,1,0,0,0,0|0,0,1]=3 1997 B7R0.1 C=CCCSCCC 62a_100000754431_100000210303 [1,1,0,0,0,0|0,0,1]=3 1998 B7R0.1 C=CCCSCCF 62a_100000754431_100011217306 [1,1,0,0,0,0|1,0,1]=4 1999 B7R0.1 C=CCCSCCF 62a_100011217306_100000754431 [1,1,0,0,0,0|1,0,1]=4 2000 B7R0.1 C=CCCSCCO 62a_100000211926_100000754431 [1,1,0,0,0,0|1,0,1]=4 2001 B7R0.1 C=CCCSCCO 62a_100000754431_100000211926 [1,1,0,0,0,0|1,0,1]=4 2002 B7R0.1 C=CCCSCOC 62a_100000754431_100000766300 [1,1,0,0,0,0|1,0,1]=4 2003 B7R0.1 C=CCCSCOC 62a_100000766300_100000754431 [1,1,0,0,0,0|1,0,1]=4 2004 B7R0.1 C=CCCSCSC 62a_100000754431_100011218213 [1,1,0,0,0,0|1,0,1]=4 2005 B7R0.1 C=CCCSCSC 62a_100011218213_100000754431 [1,1,0,0,0,0|1,0,1]=4 2006 B7R0.1 C=CCNCC=CC 2230a_100020586998_100000070051 [1,1,0,0,0,0|1,0,1]=4 2007 B7R0.1 C=CCNCCCC 2230a_100000102301_100000210623 [1,1,0,0,0,0|1,0,1]=4 2008 B7R0.1 C=CCNCCCC 2230a_100020586998_100000210211 [1,1,0,0,0,0|1,0,1]=4 2009 B7R0.1 C=CCNCCCC 7a_106832991798_100015514636 [1,1,0,0,0,0|1,0,1]=4 2010 B7R0.1 C=CCNCCCF 2230a_100015189416_100000210623 [1,1,0,0,0,0|1,0,1]=4 2011 B7R0.1 C=CCNCCCF 2230a_100020586998_100011934791 [1,1,0,0,0,0|1,0,1]=4 2012 B7R0.1 C=CCNCCCF 34a_100015189416_100015514636 [1,1,0,0,0,0|1,0,1]=4 2013 B7R0.1 C=CCNCCCO 2230a_100020586998_100000230001 [1,1,0,0,0,0|1,0,1]=4 2014 B7R0.1 C=CCNCCOC 2230a_100000209980_100000210623 [1,1,0,0,0,0|1,0,1]=4 2015 B7R0.1 C=CCNCCOC 2230a_100020586998_100011201679 [1,1,0,0,0,0|1,0,1]=4 2016 B7R0.1 C=CCNCCSC 2230a_100020586998_100000751147 [1,1,0,0,0,0|1,0,1]=4 2017 B7R0.1 C=CCNCCSC 2230a_100020590264_100000210623 [1,1,0,0,0,0|1,0,1]=4 2018 B7R0.1 C=CCOC/C=C/C 34a_100016270725_100015514636 [1,1,0,0,0,0|0,1,1]=4 2019 B7R0.1 C=CCOC/C=C/C 34a_200000210373_100102629194 [1,1,0,0,0,0|0,1,1]=4 2020 B7R0.1 C=CCOCC=CC 34a_200000210373_100000070051 [1,1,0,0,0,0|0,1,1]=4 2021 B7R0.1 C=CCOCCCBr 34a_100011217188_100015514636 [1,1,0,0,0,0|0,1,1]=4 2022 B7R0.1 C=CCOCCCC 34a_100000210227_100015514636 [1,1,0,0,0,0|0,1,1]=4 2023 B7R0.1 C=CCOCCCC 34a_200000210373_100000210210 [1,1,0,0,0,0|0,1,1]=4 2024 B7R0.1 C=CCOCCCC 7a_100000210227_100015514636 [1,1,0,0,0,0|0,1,1]=4 2025 B7R0.1 C=CCOCCCCl 34a_100000230001_100015514636 [1,1,0,0,0,0|0,1,1]=4 2026 B7R0.1 C=CCOCCCF 34a_100000759539_100015514636 [1,1,0,0,0,0|0,1,1]=4 2027 B7R0.1 C=CCOCCCF 34a_200000210373_100011934791 [1,1,0,0,0,0|0,1,1]=4 2028 B7R0.1 C=CCOCCCN 34a_100000182051_100015514636 [1,1,0,0,0,0|0,1,1]=4 2029 B7R0.1 C=CCOCCCO 34a_200000210373_100000230001 [1,1,0,0,0,0|0,1,1]=4 2030 B7R0.1 C=CCOCCOC 34a_100000037705_200000210301 [1,1,0,0,0,0|0,1,1]=4 2031 B7R0.1 C=CCOCCOC 34a_100000210237_100015514636 [1,1,0,0,0,0|0,1,1]=4 2032 B7R0.1 C=CCOCCOC 34a_200000210373_100011201679 [1,1,0,0,0,0|0,1,1]=4 2033 B7R0.1 C=CCOCCOC 7a_100000037705_200000210301 [1,1,0,0,0,0|0,1,1]=4 2034 B7R0.1 C=CCOCCO[13CH3] 34a_100000037705_200025704644 [1,1,0,0,0,0|0,1,1]=4 2035 B7R0.1 C=CCOCCO[13CH3] 7a_100000037705_200025704644 [1,1,0,0,0,0|0,1,1]=4 2036 B7R0.1 C=CCOCCSC 34a_100000230434_100015514636 [1,1,0,0,0,0|0,1,1]=4 2037 B7R0.1 C=CCOCCSC 34a_200000210373_100000212216 [1,1,0,0,0,0|0,1,1]=4 2038 B7R0.1 C=CCOCCSC 7a_100000230434_100015514636 [1,1,0,0,0,0|0,1,1]=4 2039 B7R0.1 C=CCSC/C=C/C 62a_100000210623_100102629194 [1,1,0,0,0,0|0,0,1]=3 2040 B7R0.1 C=CCSC/C=C/C 62a_100102629194_100000210623 [1,1,0,0,0,0|0,0,1]=3 2041 B7R0.1 C=CCSCC#CC 62a_100000210623_100000748600 [1,1,0,0,0,0|0,0,2]=4 2042 B7R0.1 C=CCSCC#CC 62a_100000748600_100000210623 [1,1,0,0,0,0|0,0,2]=4 2043 B7R0.1 C=CCSCC=CC 62a_100000070051_100000210623 [1,1,0,0,0,0|0,0,1]=3 2044 B7R0.1 C=CCSCC=CC 62a_100000210623_100000070051 [1,1,0,0,0,0|0,0,1]=3 2045 B7R0.1 C=CCSCCC#N 62a_100000210623_100011215226 [1,1,0,0,0,0|0,0,2]=4 2046 B7R0.1 C=CCSCCC#N 62a_100011215226_100000210623 [1,1,0,0,0,0|0,0,2]=4 2047 B7R0.1 C=CCSCCCC 62a_100000210211_100000210623 [1,1,0,0,0,0|0,0,1]=3 2048 B7R0.1 C=CCSCCCC 62a_100000210623_100000210210 [1,1,0,0,0,0|0,0,1]=3 2049 B7R0.1 C=CCSCCCF 62a_100000210623_100011934791 [1,1,0,0,0,0|0,0,1]=3 2050 B7R0.1 C=CCSCCCF 62a_100011934791_100000210623 [1,1,0,0,0,0|0,0,1]=3 2051 B7R0.1 C=CCSCCCO 62a_100000210623_100011215043 [1,1,0,0,0,0|0,0,1]=3 2052 B7R0.1 C=CCSCCCO 62a_100011215043_100000210623 [1,1,0,0,0,0|0,0,1]=3 2053 B7R0.1 C=CCSCCOC 62a_100000210623_100000233755 [1,1,0,0,0,0|0,0,1]=3 2054 B7R0.1 C=CCSCCOC 62a_100000233755_100000210623 [1,1,0,0,0,0|0,0,1]=3 2055 B7R0.1 C=CCSCCSC 62a_100000210623_100000751147 [1,1,0,0,0,0|0,0,1]=3 2056 B7R0.1 C=CCSCCSC 62a_100000212216_100000210623 [1,1,0,0,0,0|0,0,1]=3 2057 B7R0.1 C=CCSCOCC 62a_100000210623_100000739092 [1,1,0,0,0,0|0,0,1]=3 2058 B7R0.1 C=CCSCOCC 62a_100000739092_100000210623 [1,1,0,0,0,0|0,0,1]=3 2059 B7R0.1 C=COCCNCC 2230a_100015525214_100000039644 [1,1,0,0,0,0|2,0,0]=4 2060 B7R0.1 C=COCCOCC 34a_100000033082_100000210202 [1,1,0,0,0,0|2,0,0]=4 2061 B7R0.1 C=COCCOCC 34a_100121572206_100000039644 [1,1,0,0,0,0|2,0,0]=4 2062 B7R0.1 C=COCCSCC 62a_100000039644_100000210202 [1,1,0,0,0,0|2,0,0]=4 2063 B7R0.1 C=COCCSCC 62a_100000210202_100000039644 [1,1,0,0,0,0|2,0,0]=4 2064 B7R0.1 CC=CCOCCC 34a_100000210258_100000070051 [1,1,0,0,0,0|0,1,1]=4 2065 B7R0.1 CC=CCSCC=O 62a_100000070051_200015260668 [1,1,0,0,0,0|1,0,1]=4 2066 B7R0.1 CC=CCSCC=O 62a_200015260668_100000070051 [1,1,0,0,0,0|1,0,1]=4 2067 B7R0.1 CC=CCSCCC 62a_100000070051_100000210303 [1,1,0,0,0,0|0,0,1]=3 2068 B7R0.1 CC=CCSCCC 62a_100000210303_100000070051 [1,1,0,0,0,0|0,0,1]=3 2069 B7R0.1 CC=CCSCCF 62a_100000070051_100011217306 [1,1,0,0,0,0|1,0,1]=4 2070 B7R0.1 CC=CCSCCF 62a_100011217306_100000070051 [1,1,0,0,0,0|1,0,1]=4 2071 B7R0.1 CC=CCSCCO 62a_100000070051_100000211926 [1,1,0,0,0,0|1,0,1]=4 2072 B7R0.1 CC=CCSCCO 62a_100000211926_100000070051 [1,1,0,0,0,0|1,0,1]=4 2073 B7R0.1 CC=CCSCOC 62a_100000070051_100000766300 [1,1,0,0,0,0|1,0,1]=4 2074 B7R0.1 CC=CCSCOC 62a_100000766300_100000070051 [1,1,0,0,0,0|1,0,1]=4 2075 B7R0.1 CC=CCSCSC 62a_100000070051_100011218213 [1,1,0,0,0,0|1,0,1]=4 2076 B7R0.1 CC=CCSCSC 62a_100011218213_100000070051 [1,1,0,0,0,0|1,0,1]=4 2077 B7R0.1 CCCCSCC=O 62a_100000210211_200015260668 [1,1,0,0,0,0|1,0,1]=4 2078 B7R0.1 CCCCSCC=O 62a_200015260668_100000210210 [1,1,0,0,0,0|1,0,1]=4 2079 B7R0.1 CCOCSCC=O 62a_100000739092_200015260668 [1,1,0,0,0,0|1,0,1]=4 2080 B7R0.1 CCOCSCC=O 62a_200015260668_100000739092 [1,1,0,0,0,0|1,0,1]=4 2081 B7R0.1 COCCSCC=O 62a_100000233755_200015260668 [1,1,0,0,0,0|1,0,1]=4 2082 B7R0.1 COCCSCC=O 62a_200015260668_100000233755 [1,1,0,0,0,0|1,0,1]=4 2083 B7R0.1 CSCCSCC=O 62a_100000212216_200015260668 [1,1,0,0,0,0|1,0,1]=4 2084 B7R0.1 CSCCSCC=O 62a_200015260668_100000751147 [1,1,0,0,0,0|1,0,1]=4 2085 B7R0.1 O=CCSCCCF 62a_100011934791_200015260668 [1,1,0,0,0,0|1,0,1]=4 2086 B7R0.1 O=CCSCCCF 62a_200015260668_100011934791 [1,1,0,0,0,0|1,0,1]=4 2087 B7R0.1 O=CCSCCCO 62a_100011215043_200015260668 [1,1,0,0,0,0|1,0,1]=4 2088 B7R0.1 O=CCSCCCO 62a_200015260668_100011215043 [1,1,0,0,0,0|1,0,1]=4 2089 B9R0.4 C=CC=CC(=O)CC(=C)C 1458a_100016291481_100000748629 [0,2,0,0,0,0|1,0,1]=4 2090 B9R0.4 C=CC=CC(=O)CC(C)C 1458a_100016291481_100000210624 [0,2,0,0,0,0|1,0,1]=4 2091 B9R0.4 C=CC=CC(=O)CC(C)O 1458a_100016291481_100011218427 [0,2,0,0,0,0|1,0,1]=4 2092 B9R0.4 C=CC=CC(=O)CC(F)F 1458a_100016291481_100011934356 [0,2,0,0,0,0|1,0,1]=4 2093 B9R0.4 C=CC=CC(=O)NC(C)C 1626a_100138425928_100016291481 [0,2,0,0,0,0|1,0,1]=4 2094 B9R0.4 C=CCCC(=O)C=C(C)C 1458a_100000211388_100000754431 [0,2,0,0,0,0|1,0,1]=4 2095 B9R0.4 C=CCCC(=O)C=C(C)Cl 1458a_200042562850_100000754431 [0,2,0,0,0,0|1,0,1]=4 2096 B9R0.4 C=CCCC(=O)C=C(C)I 1458a_100025716642_100000754431 [0,2,0,0,0,0|1,0,1]=4 2097 B9R0.4 C=CCCC(=O)CC(=C)C 1458a_100000749702_100000748629 [0,2,0,0,0,0|1,0,0]=3 2098 B9R0.4 C=CCCC(=O)CC(=C)F 1458a_100000749702_100009893438 [0,2,0,0,0,0|1,0,1]=4 2099 B9R0.4 C=CCCC(=O)CC(=O)N 1458a_100000749702_100000187820 [0,2,0,0,0,0|1,0,1]=4 2100 B9R0.4 C=CCCC(=O)CC(=O)N 1458a_100134613110_100000754431 [0,2,0,0,0,0|1,0,1]=4 2101 B9R0.4 C=CCCC(=O)CC(=O)[O-] 1458a_100000749702_100020667443 [0,2,0,0,0,0|1,0,1]=4 2102 B9R0.4 C=CCCC(=O)CC(C)C 1458a_100000210554_100000754431 [0,2,0,0,0,0|1,0,0]=3 2103 B9R0.4 C=CCCC(=O)CC(C)C 1458a_100000749702_100000210624 [0,2,0,0,0,0|1,0,0]=3 2104 B9R0.4 C=CCCC(=O)CC(C)O 1458a_100000749702_100011218427 [0,2,0,0,0,0|1,0,0]=3 2105 B9R0.4 C=CCCC(=O)CC(F)F 1458a_100000749702_100011934356 [0,2,0,0,0,0|1,0,0]=3 2106 B9R0.4 C=CCCC(=O)CN(C)C 1458a_100000750896_100000754431 [0,2,0,0,0,0|1,0,0]=3 2107 B9R0.4 C=CCCC(=O)C[C@@H](C)O 1458a_100011933948_100000754431 [0,2,0,0,0,0|1,0,0]=3 2108 B9R0.4 C=CCCC(=O)C[N+](=O)[O-] 1458a_100000749702_100000761209 [0,2,0,0,0,0|2,0,0]=4 2109 B9R0.4 C=CCCC(=O)C[S+](C)C 1458a_200159257847_100000754431 [0,2,0,0,0,0|1,0,0]=3 2110 B9R0.4 C=CCCC(=O)NC(C)C 11a_100138425928_100000749702 [0,2,0,0,0,0|1,0,0]=3 2111 B9R0.4 C=CCCC(=O)NC(C)C 1626a_100138425928_100000749702 [0,2,0,0,0,0|1,0,0]=3 2112 B9R0.4 C=CCCC(=O)NC(C)C 240690a_100138425928_100000749702 [0,2,0,0,0,0|1,0,0]=3 2113 B9R0.4 C=CCCC(=O)NC(C)C 527a_100138425928_100000749702 [0,2,0,0,0,0|1,0,0]=3 2114 B9R0.4 C=CCNC(=O)C=C(C)C 1626a_100020586998_100000211388 [0,2,0,0,0,0|1,0,1]=4 2115 B9R0.4 C=CCNC(=O)C=C(C)C 240690a_100020586998_100000211388 [0,2,0,0,0,0|1,0,1]=4 2116 B9R0.4 C=CCNC(=O)C=C(C)Cl 1626a_100020586998_200042562850 [0,2,0,0,0,0|1,0,1]=4 2117 B9R0.4 C=CCNC(=O)C=C(C)Cl 240690a_100020586998_200042562850 [0,2,0,0,0,0|1,0,1]=4 2118 B9R0.4 C=CCNC(=O)C=C(C)I 1626a_100020586998_100025716642 [0,2,0,0,0,0|1,0,1]=4 2119 B9R0.4 C=CCNC(=O)CC(=O)C 1458a_100000070787_100000183597 [0,2,0,0,0,0|1,0,0]=3 2120 B9R0.4 C=CCNC(=O)CC(=O)N 240690a_100020586998_100134613110 [0,2,0,0,0,0|1,0,1]=4 2121 B9R0.4 C=CCNC(=O)CC(=O)N 527a_100020586998_100134613110 [0,2,0,0,0,0|1,0,1]=4 2122 B9R0.4 C=CCNC(=O)CC(C)C 1626a_100020586998_100000210554 [0,2,0,0,0,0|1,0,0]=3 2123 B9R0.4 C=CCNC(=O)CC(C)C 240690a_100020586998_100000210554 [0,2,0,0,0,0|1,0,0]=3 2124 B9R0.4 C=CCNC(=O)CC(C)C 527a_100020586998_100000210554 [0,2,0,0,0,0|1,0,0]=3 2125 B9R0.4 C=CCNC(=O)CN(C)C 2230a_100102631434_100000183597 [0,2,0,0,0,0|1,0,0]=3 2126 B9R0.4 C=CCNC(=O)CN(C)C 240690a_100020586998_100000750896 [0,2,0,0,0,0|1,0,0]=3 2127 B9R0.4 C=CCNC(=O)CN(C)C 269982a_100102631434_100000183597 [0,2,0,0,0,0|1,0,0]=3 2128 B9R0.4 C=CCNC(=O)CN(C)C 527a_100020586998_100000750896 [0,2,0,0,0,0|1,0,0]=3 2129 B9R0.4 C=CCNC(=O)C[C@@H](C)O 240690a_100020586998_100011933948 [0,2,0,0,0,0|1,0,0]=3 2130 B9R0.4 C=CCNC(=O)C[S+](C)C 1626a_100020586998_200159257847 [0,2,0,0,0,0|1,0,0]=3 2131 B9R0.4 C=CCNC(=O)C[S+](C)C 240690a_100020586998_200159257847 [0,2,0,0,0,0|1,0,0]=3 2132 B9R0.4 C=CCNC(=O)C[S+](C)C 527a_100020586998_200159257847 [0,2,0,0,0,0|1,0,0]=3 2133 B9R0.4 C=CCNC(=O)NC(C)C 2708a_100138425928_100020586998 [0,2,0,0,0,0|1,0,0]=3 2134 B9R0.4 C=CCNC(=O)NC(C)C 273464a_100138425928_100020586998 [0,2,0,0,0,0|1,0,0]=3 2135 B9R0.4 C=CCNC(=O)NC(C)C 512a_100020586998_100138425928 [0,2,0,0,0,0|1,0,0]=3 2136 B9R0.4 C=CCNC(=O)NC(C)C 512a_100138425928_100020586998 [0,2,0,0,0,0|1,0,0]=3 2137 B9R0.4 C=CCOC(=O)CC(=O)C 1458a_100000070787_100000033060 [0,2,0,0,0,0|0,1,0]=3 2138 B9R0.4 C=CCOC(=O)CN(C)C 2230a_100102631434_100000033060 [0,2,0,0,0,0|0,1,0]=3 2139 B9R0.4 C=CCOC(=O)CN(C)C 269982a_100102631434_100000033060 [0,2,0,0,0,0|0,1,0]=3 2140 B9R0.4 C=CCSC(C)CC(C)C 62a_100000210623_100000731052 [0,2,0,0,0,0|1,0,1]=4 2141 B9R0.4 C=CCSC(C)CC(C)C 62a_100000731052_100000210623 [0,2,0,0,0,0|1,0,1]=4 2142 B9R0.4 C=CCSC(C)CN(C)C 62a_100000210623_100020606517 [0,2,0,0,0,0|1,0,1]=4 2143 B9R0.4 C=CCSC(C)CN(C)C 62a_100020606517_100000210623 [0,2,0,0,0,0|1,0,1]=4 2144 B9R0.5 C#CCC(=O)CCCC=C 1458a_100000766728_100000184674 [0,2,0,0,0,0|1,0,1]=4 2145 B9R0.5 C#CCC(=O)CCCC=C 1458a_100011220946_100000757094 [0,2,0,0,0,0|1,0,1]=4 2146 B9R0.5 C#CCC(=O)CCOC=C 1458a_100011220946_100000039644 [0,2,0,0,0,0|1,0,1]=4 2147 B9R0.5 C#CCC(=O)CSCC=C 1458a_100000230395_100000184674 [0,2,0,0,0,0|0,0,1]=3 2148 B9R0.5 C#CCC(=O)NCCC=C 1626a_100015191253_100011220946 [0,2,0,0,0,0|1,0,1]=4 2149 B9R0.5 C#CCC(=O)NCCC=C 527a_100015191253_100011220946 [0,2,0,0,0,0|1,0,1]=4 2150 B9R0.5 C#CCSCC(=O)CCC 62a_100000038162_100000747444 [0,2,0,0,0,0|0,0,2]=4 2151 B9R0.5 C#CCSCC(=O)NCC 62a_100000038162_100000183381 [0,2,0,0,0,0|0,0,2]=4 2152 B9R0.5 C#CCSCC(=O)OCC 62a_100000038162_100000188475 [0,2,0,0,0,0|0,0,2]=4 2153 B9R0.5 C/C=C/C=CC(=O)CCC 1458a_100000185730_100000210303 [0,2,0,0,0,0|1,0,1]=4 2154 B9R0.5 C/C=C/C=CC(=O)CCF 1458a_100000185730_100011217306 [0,2,0,0,0,0|1,0,1]=4 2155 B9R0.5 C/C=C/C=CC(=O)CCO 1458a_100000185730_100000211926 [0,2,0,0,0,0|1,0,1]=4 2156 B9R0.5 C/C=C/C=CC(=O)NCC 11a_100015525214_100000185730 [0,2,0,0,0,0|1,0,1]=4 2157 B9R0.5 C/C=C/C=CC(=O)NCC 240690a_100015525214_100000185730 [0,2,0,0,0,0|1,0,1]=4 2158 B9R0.5 C/C=C/CSC(C)CCC 62a_100000766640_100102629194 [0,2,0,0,0,0|1,0,1]=4 2159 B9R0.5 C/C=C/CSC(C)CCC 62a_100102629194_100000766640 [0,2,0,0,0,0|1,0,1]=4 2160 B9R0.5 C/C=C/CSC(C)CCO 62a_100009893172_100102629194 [0,2,0,0,0,0|1,0,1]=4 2161 B9R0.5 C/C=C/CSC(C)CCO 62a_100102629194_100009893172 [0,2,0,0,0,0|1,0,1]=4 2162 B9R0.5 C/C=C/CSC(C)COC 62a_100000765312_100102629194 [0,2,0,0,0,0|1,0,1]=4 2163 B9R0.5 C/C=C/CSC(C)COC 62a_100102629194_100000765312 [0,2,0,0,0,0|1,0,1]=4 2164 B9R0.5 C=CCC(=O)CCOC=C 1458a_100000210193_100000039644 [0,2,0,0,0,0|1,0,1]=4 2165 B9R0.5 C=CCCCC(=O)C#CC 1458a_100000763181_100000757094 [0,2,0,0,0,0|1,0,1]=4 2166 B9R0.5 C=CCCCC(=O)C=CC 1458a_100000210699_100000757094 [0,2,0,0,0,0|1,0,1]=4 2167 B9R0.5 C=CCCCC(=O)CC#N 1458a_100000766728_100011214920 [0,2,0,0,0,0|1,0,1]=4 2168 B9R0.5 C=CCCCC(=O)CC#N 1458a_100051588842_100000757094 [0,2,0,0,0,0|1,0,1]=4 2169 B9R0.5 C=CCCCC(=O)CC=C 1458a_100000210193_100000757094 [0,2,0,0,0,0|1,0,1]=4 2170 B9R0.5 C=CCCCC(=O)CC=C 1458a_100000766728_100000210623 [0,2,0,0,0,0|1,0,1]=4 2171 B9R0.5 C=CCCCC(=O)CCC 1458a_100000211992_100000757094 [0,2,0,0,0,0|1,0,0]=3 2172 B9R0.5 C=CCCCC(=O)CCC 1458a_100000766728_100000210303 [0,2,0,0,0,0|1,0,0]=3 2173 B9R0.5 C=CCCCC(=O)CCF 1458a_100000766728_100011217306 [0,2,0,0,0,0|1,0,0]=3 2174 B9R0.5 C=CCCCC(=O)CCO 1458a_100000766728_100000211926 [0,2,0,0,0,0|1,0,0]=3 2175 B9R0.5 C=CCCCC(=O)CCO 1458a_100011216618_100000757094 [0,2,0,0,0,0|1,0,0]=3 2176 B9R0.5 C=CCCCC(=O)COC 1458a_100000210968_100000757094 [0,2,0,0,0,0|1,0,0]=3 2177 B9R0.5 C=CCCCC(=O)CSC 1458a_100000184570_100000757094 [0,2,0,0,0,0|1,0,0]=3 2178 B9R0.5 C=CCCCC(=O)NCC 11a_100015525214_100000766728 [0,2,0,0,0,0|1,0,0]=3 2179 B9R0.5 C=CCCCC(=O)NCC 240690a_100015525214_100000766728 [0,2,0,0,0,0|1,0,0]=3 2180 B9R0.5 C=CCCCC(=O)NCC 527a_100015525214_100000766728 [0,2,0,0,0,0|1,0,0]=3 2181 B9R0.5 C=CCCCC(=O)NNC 22a_100016993582_100000766728 [0,2,0,0,0,0|2,0,0]=4 2182 B9R0.5 C=CCCNC(=O)C=CC 11a_100015191253_100000210699 [0,2,0,0,0,0|1,0,1]=4 2183 B9R0.5 C=CCCNC(=O)C=CC 1626a_100015191253_100000210699 [0,2,0,0,0,0|1,0,1]=4 2184 B9R0.5 C=CCCNC(=O)C=CC 240690a_100015191253_100000210699 [0,2,0,0,0,0|1,0,1]=4 2185 B9R0.5 C=CCCNC(=O)CC#N 1626a_100015191253_100051588842 [0,2,0,0,0,0|1,0,1]=4 2186 B9R0.5 C=CCCNC(=O)CC#N 240690a_100015191253_100051588842 [0,2,0,0,0,0|1,0,1]=4 2187 B9R0.5 C=CCCNC(=O)CC=C 11a_100015191253_100000210193 [0,2,0,0,0,0|1,0,1]=4 2188 B9R0.5 C=CCCNC(=O)CC=C 1626a_100015191253_100000210193 [0,2,0,0,0,0|1,0,1]=4 2189 B9R0.5 C=CCCNC(=O)CC=C 240690a_100015191253_100000210193 [0,2,0,0,0,0|1,0,1]=4 2190 B9R0.5 C=CCCNC(=O)CC=C 527a_100015191253_100000210193 [0,2,0,0,0,0|1,0,1]=4 2191 B9R0.5 C=CCCNC(=O)CCC 11a_100015191253_100000211992 [0,2,0,0,0,0|1,0,0]=3 2192 B9R0.5 C=CCCNC(=O)CCC 1626a_100015191253_100000211992 [0,2,0,0,0,0|1,0,0]=3 2193 B9R0.5 C=CCCNC(=O)CCC 240690a_100015191253_100000211992 [0,2,0,0,0,0|1,0,0]=3 2194 B9R0.5 C=CCCNC(=O)CCC 527a_100015191253_100000211992 [0,2,0,0,0,0|1,0,0]=3 2195 B9R0.5 C=CCCNC(=O)CCO 240690a_100015191253_100011216618 [0,2,0,0,0,0|1,0,0]=3 2196 B9R0.5 C=CCCNC(=O)COC 11a_100015191253_100000210968 [0,2,0,0,0,0|1,0,0]=3 2197 B9R0.5 C=CCCNC(=O)COC 1626a_100015191253_100000210968 [0,2,0,0,0,0|1,0,0]=3 2198 B9R0.5 C=CCCNC(=O)COC 240690a_100015191253_100000210968 [0,2,0,0,0,0|1,0,0]=3 2199 B9R0.5 C=CCCNC(=O)COC 527a_100015191253_100000210968 [0,2,0,0,0,0|1,0,0]=3 2200 B9R0.5 C=CCCNC(=O)CSC 11a_100015191253_100000184570 [0,2,0,0,0,0|1,0,0]=3 2201 B9R0.5 C=CCCNC(=O)CSC 1626a_100015191253_100000184570 [0,2,0,0,0,0|1,0,0]=3 2202 B9R0.5 C=CCCNC(=O)CSC 240690a_100015191253_100000184570 [0,2,0,0,0,0|1,0,0]=3 2203 B9R0.5 C=CCCNC(=O)CSC 527a_100015191253_100000184570 [0,2,0,0,0,0|1,0,0]=3 2204 B9R0.5 C=CCCNC(=O)NCC 2708a_100015191253_100015525214 [0,2,0,0,0,0|1,0,0]=3 2205 B9R0.5 C=CCCNC(=O)NCC 2708a_100015525214_100015191253 [0,2,0,0,0,0|1,0,0]=3 2206 B9R0.5 C=CCCNC(=O)NCC 273464a_100015191253_100015525214 [0,2,0,0,0,0|1,0,0]=3 2207 B9R0.5 C=CCCNC(=O)NCC 273464a_100015525214_100015191253 [0,2,0,0,0,0|1,0,0]=3 2208 B9R0.5 C=CCCNC(=O)NCC 512a_100015191253_100015525214 [0,2,0,0,0,0|1,0,0]=3 2209 B9R0.5 C=CCCNC(=O)NCC 512a_100015525214_100015191253 [0,2,0,0,0,0|1,0,0]=3 2210 B9R0.5 C=CCCNC(=O)NNC 273464a_100015191253_100016993582 [0,2,0,0,0,0|2,0,0]=4 2211 B9R0.5 C=CCCNC(=O)NNC 512a_100015191253_100016993582 [0,2,0,0,0,0|2,0,0]=4 2212 B9R0.5 C=CCCNC(=O)NNC 512a_100016993582_100015191253 [0,2,0,0,0,0|2,0,0]=4 2213 B9R0.5 C=CCCSC(C)CCC 62a_100000754431_100000766640 [0,2,0,0,0,0|1,0,1]=4 2214 B9R0.5 C=CCCSC(C)CCC 62a_100000766640_100000754431 [0,2,0,0,0,0|1,0,1]=4 2215 B9R0.5 C=CCCSC(C)CCO 62a_100000754431_100009893172 [0,2,0,0,0,0|1,0,1]=4 2216 B9R0.5 C=CCCSC(C)CCO 62a_100009893172_100000754431 [0,2,0,0,0,0|1,0,1]=4 2217 B9R0.5 C=CCCSC(C)COC 62a_100000754431_100000765312 [0,2,0,0,0,0|1,0,1]=4 2218 B9R0.5 C=CCCSC(C)COC 62a_100000765312_100000754431 [0,2,0,0,0,0|1,0,1]=4 2219 B9R0.5 C=CCNCC(=O)CCC 2230a_100020586998_100000747444 [0,2,0,0,0,0|1,0,0]=3 2220 B9R0.5 C=CCNCC(=O)NCC 2230a_100016988866_100000210623 [0,2,0,0,0,0|1,0,0]=3 2221 B9R0.5 C=CCNCC(=O)NCC 2230a_100020586998_100000183381 [0,2,0,0,0,0|1,0,0]=3 2222 B9R0.5 C=CCNCC(=O)NCO 2230a_100020586998_100000185155 [0,2,0,0,0,0|2,0,0]=4 2223 B9R0.5 C=CCNCC(=O)OCC 2230a_100020586998_100000188475 [0,2,0,0,0,0|1,0,0]=3 2224 B9R0.5 C=CCNNC(=O)C#CC 22a_100020588587_100000763181 [0,2,0,0,0,0|1,0,1]=4 2225 B9R0.5 C=CCNNC(=O)C=CC 22a_100020588587_100000210699 [0,2,0,0,0,0|1,0,1]=4 2226 B9R0.5 C=CCNNC(=O)CC#N 22a_100020588587_100051588842 [0,2,0,0,0,0|1,0,1]=4 2227 B9R0.5 C=CCNNC(=O)CC=C 22a_100020588587_100000210193 [0,2,0,0,0,0|1,0,1]=4 2228 B9R0.5 C=CCNNC(=O)CCC 22a_100020588587_100000211992 [0,2,0,0,0,0|1,0,0]=3 2229 B9R0.5 C=CCNNC(=O)CCO 22a_100020588587_100011216618 [0,2,0,0,0,0|1,0,0]=3 2230 B9R0.5 C=CCNNC(=O)COC 22a_100020588587_100000210968 [0,2,0,0,0,0|1,0,0]=3 2231 B9R0.5 C=CCNNC(=O)CSC 22a_100020588587_100000184570 [0,2,0,0,0,0|1,0,0]=3 2232 B9R0.5 C=CCNNC(=O)NCC 273464a_100015525214_100020588587 [0,2,0,0,0,0|1,0,0]=3 2233 B9R0.5 C=CCNNC(=O)NCC 512a_100015525214_100020588587 [0,2,0,0,0,0|1,0,0]=3 2234 B9R0.5 C=CCNNC(=O)NCC 512a_100020588587_100015525214 [0,2,0,0,0,0|1,0,0]=3 2235 B9R0.5 C=CCNNC(=O)NNC 512a_100016993582_100020588587 [0,2,0,0,0,0|2,0,0]=4 2236 B9R0.5 C=CCNNC(=O)NNC 512a_100020588587_100016993582 [0,2,0,0,0,0|2,0,0]=4 2237 B9R0.5 C=CCOCC(=O)NCC 34a_200000210373_100000183381 [0,2,0,0,0,0|0,1,0]=3 2238 B9R0.5 C=CCOCC(=O)NCO 34a_200000210373_100000185155 [0,2,0,0,0,0|1,1,0]=4 2239 B9R0.5 C=CCOCC(=O)OCC 34a_200000210373_100000188475 [0,2,0,0,0,0|0,1,0]=3 2240 B9R0.5 C=CCSCC(=O)CC#N 1458a_100000230395_100011214920 [0,2,0,0,0,0|0,0,1]=3 2241 B9R0.5 C=CCSCC(=O)CC=C 1458a_100000230395_100000210623 [0,2,0,0,0,0|0,0,1]=3 2242 B9R0.5 C=CCSCC(=O)CCC 1458a_100000230395_100000210303 [0,2,0,0,0,0|0,0,0]=2 2243 B9R0.5 C=CCSCC(=O)CCC 62a_100000210623_100000747444 [0,2,0,0,0,0|0,0,0]=2 2244 B9R0.5 C=CCSCC(=O)CCC 62a_100000747444_100000210623 [0,2,0,0,0,0|0,0,0]=2 2245 B9R0.5 C=CCSCC(=O)CCF 1458a_100000230395_100011217306 [0,2,0,0,0,0|0,0,0]=2 2246 B9R0.5 C=CCSCC(=O)CCO 1458a_100000230395_100000211926 [0,2,0,0,0,0|0,0,0]=2 2247 B9R0.5 C=CCSCC(=O)NCC 11a_100015525214_100000230395 [0,2,0,0,0,0|0,0,0]=2 2248 B9R0.5 C=CCSCC(=O)NCC 240690a_100015525214_100000230395 [0,2,0,0,0,0|0,0,0]=2 2249 B9R0.5 C=CCSCC(=O)NCC 527a_100015525214_100000230395 [0,2,0,0,0,0|0,0,0]=2 2250 B9R0.5 C=CCSCC(=O)NCC 62a_100000183381_100000210623 [0,2,0,0,0,0|0,0,0]=2 2251 B9R0.5 C=CCSCC(=O)NCC 62a_100000210623_100000183381 [0,2,0,0,0,0|0,0,0]=2 2252 B9R0.5 C=CCSCC(=O)NCO 62a_100000185155_100000210623 [0,2,0,0,0,0|1,0,0]=3 2253 B9R0.5 C=CCSCC(=O)NCO 62a_100000210623_100000185155 [0,2,0,0,0,0|1,0,0]=3 2254 B9R0.5 C=CCSCC(=O)NNC 22a_100016993582_100000230395 [0,2,0,0,0,0|1,0,0]=3 2255 B9R0.5 C=CCSCC(=O)OC=C 62a_100000036128_100000210623 [0,2,0,0,0,0|0,0,2]=4 2256 B9R0.5 C=CCSCC(=O)OC=C 62a_100000210623_100000036128 [0,2,0,0,0,0|0,0,2]=4 2257 B9R0.5 C=CCSCC(=O)OCC 62a_100000188475_100000210623 [0,2,0,0,0,0|0,0,0]=2 2258 B9R0.5 C=CCSCC(=O)OCC 62a_100000210623_100000188475 [0,2,0,0,0,0|0,0,0]=2 2259 B9R0.5 C=CCSCC(C)CCC 62a_100000210623_100011216630 [0,2,0,0,0,0|1,0,1]=4 2260 B9R0.5 C=CCSCC(C)CCC 62a_100011216630_100000210623 [0,2,0,0,0,0|1,0,1]=4 2261 B9R0.5 C=CCSCC(O)COC 62a_100000210623_100011215053 [0,2,0,0,0,0|0,0,2]=4 2262 B9R0.5 C=CCSCC(O)COC 62a_100011215053_100000210623 [0,2,0,0,0,0|0,0,2]=4 2263 B9R0.5 C=COCCC(=O)C#CC 1458a_100000763181_100000039644 [0,2,0,0,0,0|1,0,1]=4 2264 B9R0.5 C=COCCC(=O)C=CC 1458a_100000210699_100000039644 [0,2,0,0,0,0|1,0,1]=4 2265 B9R0.5 C=COCCC(=O)CC#N 1458a_100051588842_100000039644 [0,2,0,0,0,0|1,0,1]=4 2266 B9R0.5 C=COCCC(=O)CCC 1458a_100000211992_100000039644 [0,2,0,0,0,0|1,0,0]=3 2267 B9R0.5 C=COCCC(=O)CCO 1458a_100011216618_100000039644 [0,2,0,0,0,0|1,0,0]=3 2268 B9R0.5 C=COCCC(=O)COC 1458a_100000210968_100000039644 [0,2,0,0,0,0|1,0,0]=3 2269 B9R0.5 C=COCCC(=O)CSC 1458a_100000184570_100000039644 [0,2,0,0,0,0|1,0,0]=3 2270 B9R0.5 CC=CCSC(C)CCC 62a_100000070051_100000766640 [0,2,0,0,0,0|1,0,1]=4 2271 B9R0.5 CC=CCSC(C)CCC 62a_100000766640_100000070051 [0,2,0,0,0,0|1,0,1]=4 2272 B9R0.5 CC=CCSC(C)CCO 62a_100000070051_100009893172 [0,2,0,0,0,0|1,0,1]=4 2273 B9R0.5 CC=CCSC(C)CCO 62a_100009893172_100000070051 [0,2,0,0,0,0|1,0,1]=4 2274 B9R0.5 CC=CCSC(C)COC 62a_100000070051_100000765312 [0,2,0,0,0,0|1,0,1]=4 2275 B9R0.5 CC=CCSC(C)COC 62a_100000765312_100000070051 [0,2,0,0,0,0|1,0,1]=4 2276 B9R0.5 CCCC(=O)CSCC#N 1458a_100000150266_100000210303 [0,2,0,0,0,0|1,0,1]=4 2277 B9R0.5 CCCC(=O)CSCC#N 62a_100000747444_100011215382 [0,2,0,0,0,0|1,0,1]=4 2278 B9R0.5 CCCC(=O)CSCC#N 62a_100011215382_100000747444 [0,2,0,0,0,0|1,0,1]=4 2279 B9R0.5 CCCC(=O)CSCC=O 62a_100000747444_200015260668 [0,2,0,0,0,0|1,0,0]=3 2280 B9R0.5 CCCC(=O)CSCC=O 62a_200015260668_100000747444 [0,2,0,0,0,0|1,0,0]=3 2281 B9R0.5 CCCC(=O)CSCCF 62a_100000747444_100011217306 [0,2,0,0,0,0|1,0,1]=4 2282 B9R0.5 CCCC(=O)CSCCF 62a_100011217306_100000747444 [0,2,0,0,0,0|1,0,1]=4 2283 B9R0.5 CCCC(=O)CSCCO 62a_100000211926_100000747444 [0,2,0,0,0,0|1,0,1]=4 2284 B9R0.5 CCCC(=O)CSCCO 62a_100000747444_100000211926 [0,2,0,0,0,0|1,0,1]=4 2285 B9R0.5 CCCC(=O)CSCOC 62a_100000747444_100000766300 [0,2,0,0,0,0|1,0,1]=4 2286 B9R0.5 CCCC(=O)CSCOC 62a_100000766300_100000747444 [0,2,0,0,0,0|1,0,1]=4 2287 B9R0.5 CCCC(=O)CSCSC 62a_100000747444_100011218213 [0,2,0,0,0,0|1,0,1]=4 2288 B9R0.5 CCCC(=O)CSCSC 62a_100011218213_100000747444 [0,2,0,0,0,0|1,0,1]=4 2289 B9R0.5 CCCSCC(=O)CCC 1458a_100000217233_100000210303 [0,2,0,0,0,0|0,0,2]=4 2290 B9R0.5 CCCSCC(=O)CCC 62a_100000210303_100000747444 [0,2,0,0,0,0|0,0,2]=4 2291 B9R0.5 CCCSCC(=O)CCC 62a_100000747444_100000210303 [0,2,0,0,0,0|0,0,2]=4 2292 B9R0.5 CCCSCC(=O)CCF 1458a_100000217233_100011217306 [0,2,0,0,0,0|0,0,2]=4 2293 B9R0.5 CCCSCC(=O)CCO 1458a_100000217233_100000211926 [0,2,0,0,0,0|0,0,2]=4 2294 B9R0.5 CCCSCC(=O)NCC 11a_100015525214_100000217233 [0,2,0,0,0,0|0,0,2]=4 2295 B9R0.5 CCCSCC(=O)NCC 240690a_100015525214_100000217233 [0,2,0,0,0,0|0,0,2]=4 2296 B9R0.5 CCCSCC(=O)NCC 527a_100015525214_100000217233 [0,2,0,0,0,0|0,0,2]=4 2297 B9R0.5 CCCSCC(=O)NCC 62a_100000183381_100000210303 [0,2,0,0,0,0|0,0,2]=4 2298 B9R0.5 CCCSCC(=O)NCC 62a_100000210303_100000183381 [0,2,0,0,0,0|0,0,2]=4 2299 B9R0.5 CCCSCC(=O)OCC 62a_100000188475_100000210303 [0,2,0,0,0,0|0,0,2]=4 2300 B9R0.5 CCCSCC(=O)OCC 62a_100000210303_100000188475 [0,2,0,0,0,0|0,0,2]=4 2301 B9R0.5 CCNC(=O)CNCC=O 2230a_100016988866_200015260668 [0,2,0,0,0,0|2,0,0]=4 2302 B9R0.5 CCNC(=O)CSCC#N 11a_100015525214_100000150266 [0,2,0,0,0,0|1,0,1]=4 2303 B9R0.5 CCNC(=O)CSCC#N 240690a_100015525214_100000150266 [0,2,0,0,0,0|1,0,1]=4 2304 B9R0.5 CCNC(=O)CSCC#N 62a_100000183381_100011215382 [0,2,0,0,0,0|1,0,1]=4 2305 B9R0.5 CCNC(=O)CSCC#N 62a_100011215382_100000183381 [0,2,0,0,0,0|1,0,1]=4 2306 B9R0.5 CCNC(=O)CSCC=O 62a_100000183381_200015260668 [0,2,0,0,0,0|1,0,0]=3 2307 B9R0.5 CCNC(=O)CSCC=O 62a_200015260668_100000183381 [0,2,0,0,0,0|1,0,0]=3 2308 B9R0.5 CCNC(=O)CSCCF 62a_100000183381_100011217306 [0,2,0,0,0,0|1,0,1]=4 2309 B9R0.5 CCNC(=O)CSCCF 62a_100011217306_100000183381 [0,2,0,0,0,0|1,0,1]=4 2310 B9R0.5 CCNC(=O)CSCCO 62a_100000183381_100000211926 [0,2,0,0,0,0|1,0,1]=4 2311 B9R0.5 CCNC(=O)CSCCO 62a_100000211926_100000183381 [0,2,0,0,0,0|1,0,1]=4 2312 B9R0.5 CCNC(=O)CSCOC 62a_100000183381_100000766300 [0,2,0,0,0,0|1,0,1]=4 2313 B9R0.5 CCNC(=O)CSCOC 62a_100000766300_100000183381 [0,2,0,0,0,0|1,0,1]=4 2314 B9R0.5 CCNC(=O)CSCSC 62a_100000183381_100011218213 [0,2,0,0,0,0|1,0,1]=4 2315 B9R0.5 CCNC(=O)CSCSC 62a_100011218213_100000183381 [0,2,0,0,0,0|1,0,1]=4 2316 B9R0.5 CCOC(=O)CSCC#N 62a_100000188475_100011215382 [0,2,0,0,0,0|1,0,1]=4 2317 B9R0.5 CCOC(=O)CSCC#N 62a_100011215382_100000188475 [0,2,0,0,0,0|1,0,1]=4 2318 B9R0.5 CCOC(=O)CSCC=O 62a_100000188475_200015260668 [0,2,0,0,0,0|1,0,0]=3 2319 B9R0.5 CCOC(=O)CSCC=O 62a_200015260668_100000188475 [0,2,0,0,0,0|1,0,0]=3 2320 B9R0.5 CCOC(=O)CSCCF 62a_100000188475_100011217306 [0,2,0,0,0,0|1,0,1]=4 2321 B9R0.5 CCOC(=O)CSCCF 62a_100011217306_100000188475 [0,2,0,0,0,0|1,0,1]=4 2322 B9R0.5 CCOC(=O)CSCCO 62a_100000188475_100000211926 [0,2,0,0,0,0|1,0,1]=4 2323 B9R0.5 CCOC(=O)CSCCO 62a_100000211926_100000188475 [0,2,0,0,0,0|1,0,1]=4 2324 B9R0.5 CCOC(=O)CSCOC 62a_100000188475_100000766300 [0,2,0,0,0,0|1,0,1]=4 2325 B9R0.5 CCOC(=O)CSCOC 62a_100000766300_100000188475 [0,2,0,0,0,0|1,0,1]=4 2326 B9R0.5 CCOC(=O)CSCSC 62a_100000188475_100011218213 [0,2,0,0,0,0|1,0,1]=4 2327 B9R0.5 CCOC(=O)CSCSC 62a_100011218213_100000188475 [0,2,0,0,0,0|1,0,1]=4 2328 B9R0.5 N#CCSCC(=O)CCF 1458a_100000150266_100011217306 [0,2,0,0,0,0|1,0,1]=4 2329 B9R0.5 N#CCSCC(=O)CCO 1458a_100000150266_100000211926 [0,2,0,0,0,0|1,0,1]=4 2330 B9R0.5 O=CCSCC(=O)NCO 62a_100000185155_200015260668 [0,2,0,0,0,0|2,0,0]=4 2331 B9R0.5 O=CCSCC(=O)NCO 62a_200015260668_100000185155 [0,2,0,0,0,0|2,0,0]=4 2332 B9R0.8 C#CC(C)C(=O)C=CC=C 1458a_100016291481_200000035995 [0,2,0,0,0,0|1,0,1]=4 2333 B9R0.8 C#CC(C)C(=O)CCC=C 1458a_100000749702_200000035995 [0,2,0,0,0,0|1,0,0]=3 2334 B9R0.8 C#CCSC(C)C(=O)CC 62a_100000038162_100000742827 [0,2,0,0,0,0|0,0,2]=4 2335 B9R0.8 C/C=C/CC(=O)C(=O)NC 1458a_100011218921_100102629194 [0,2,0,0,0,0|2,0,0]=4 2336 B9R0.8 C=CC=CC(=O)C(C)C#N 1458a_100016291481_100000703298 [0,2,0,0,0,0|1,0,1]=4 2337 B9R0.8 C=CC=CC(=O)C(C)CC 1458a_100016291481_100000758301 [0,2,0,0,0,0|1,0,1]=4 2338 B9R0.8 C=CC=CC(=O)N(C)CC 1626a_100000225621_100016291481 [0,2,0,0,0,0|1,0,1]=4 2339 B9R0.8 C=CCCC(=O)/C(=C/C)/C 1458a_100020587367_100000754431 [0,2,0,0,0,0|1,0,1]=4 2340 B9R0.8 C=CCCC(=O)C(=O)NC 1458a_100011218921_100000754431 [0,2,0,0,0,0|1,0,1]=4 2341 B9R0.8 C=CCCC(=O)C(C)C#N 1458a_100000749702_100000703298 [0,2,0,0,0,0|1,0,0]=3 2342 B9R0.8 C=CCCC(=O)C(C)C#N 1458a_100000753662_100000754431 [0,2,0,0,0,0|1,0,0]=3 2343 B9R0.8 C=CCCC(=O)C(C)C=C 1458a_100011216780_100000754431 [0,2,0,0,0,0|1,0,0]=3 2344 B9R0.8 C=CCCC(=O)C(C)CC 1458a_100000749702_100000758301 [0,2,0,0,0,0|1,0,0]=3 2345 B9R0.8 C=CCCC(=O)C(C)CC 1458a_100011192722_100000754431 [0,2,0,0,0,0|1,0,0]=3 2346 B9R0.8 C=CCCC(=O)C(C)OC 1458a_100000743197_100000754431 [0,2,0,0,0,0|1,0,0]=3 2347 B9R0.8 C=CCCC(=O)C(C)SC 1458a_100000149566_100000754431 [0,2,0,0,0,0|1,0,0]=3 2348 B9R0.8 C=CCCC(=O)C(O)CC 1458a_100011196387_100000754431 [0,2,0,0,0,0|1,0,0]=3 2349 B9R0.8 C=CCCC(=O)C(O)CO 1458a_100011215603_100000754431 [0,2,0,0,0,0|1,0,0]=3 2350 B9R0.8 C=CCCC(=O)N(C)CC 11a_100000225621_100000749702 [0,2,0,0,0,0|1,0,0]=3 2351 B9R0.8 C=CCCC(=O)N(C)CC 1626a_100000225621_100000749702 [0,2,0,0,0,0|1,0,0]=3 2352 B9R0.8 C=CCCC(=O)N(C)CC 240690a_100000225621_100000749702 [0,2,0,0,0,0|1,0,0]=3 2353 B9R0.8 C=CCCC(=O)N(C)CC 527a_100000225621_100000749702 [0,2,0,0,0,0|1,0,0]=3 2354 B9R0.8 C=CCCN(C)C(=O)CC 11a_100020639649_100000210414 [0,2,0,0,0,0|1,0,0]=3 2355 B9R0.8 C=CCCN(C)C(=O)CC 1626a_100020639649_100000210414 [0,2,0,0,0,0|1,0,0]=3 2356 B9R0.8 C=CCCN(C)C(=O)CC 240690a_100020639649_100000210414 [0,2,0,0,0,0|1,0,0]=3 2357 B9R0.8 C=CCCN(C)C(=O)CC 527a_100020639649_100000210414 [0,2,0,0,0,0|1,0,0]=3 2358 B9R0.8 C=CCCN(C)C(=O)CO 240690a_100020639649_100000210174 [0,2,0,0,0,0|2,0,0]=4 2359 B9R0.8 C=CCCN(C)C(=O)CO 527a_100020639649_100000210174 [0,2,0,0,0,0|2,0,0]=4 2360 B9R0.8 C=CCCN(C)C(=O)NC 2708a_100102657272_100020639649 [0,2,0,0,0,0|2,0,0]=4 2361 B9R0.8 C=CCCN(C)C(=O)NC 273464a_100102657272_100020639649 [0,2,0,0,0,0|2,0,0]=4 2362 B9R0.8 C=CCNC(=O)/C(=C/C)/C 1626a_100020586998_100020587367 [0,2,0,0,0,0|1,0,1]=4 2363 B9R0.8 C=CCNC(=O)C(=O)NC 1626a_100020586998_100011218921 [0,2,0,0,0,0|1,0,1]=4 2364 B9R0.8 C=CCNC(=O)C(=O)NC 240690a_100020586998_100011218921 [0,2,0,0,0,0|1,0,1]=4 2365 B9R0.8 C=CCNC(=O)C(=O)NC 527a_100020586998_100011218921 [0,2,0,0,0,0|1,0,1]=4 2366 B9R0.8 C=CCNC(=O)C(=O)OC 1626a_100020586998_100000024059 [0,2,0,0,0,0|1,0,1]=4 2367 B9R0.8 C=CCNC(=O)C(=O)OC 240690a_100020586998_100000024059 [0,2,0,0,0,0|1,0,1]=4 2368 B9R0.8 C=CCNC(=O)C(=O)OC 527a_100020586998_100000024059 [0,2,0,0,0,0|1,0,1]=4 2369 B9R0.8 C=CCNC(=O)C(C)C#N 1626a_100020586998_100000753662 [0,2,0,0,0,0|1,0,0]=3 2370 B9R0.8 C=CCNC(=O)C(C)C#N 240690a_100020586998_100000753662 [0,2,0,0,0,0|1,0,0]=3 2371 B9R0.8 C=CCNC(=O)C(C)C#N 527a_100020586998_100000753662 [0,2,0,0,0,0|1,0,0]=3 2372 B9R0.8 C=CCNC(=O)C(C)C=C 1626a_100020586998_100011216780 [0,2,0,0,0,0|1,0,0]=3 2373 B9R0.8 C=CCNC(=O)C(C)C=C 240690a_100020586998_100011216780 [0,2,0,0,0,0|1,0,0]=3 2374 B9R0.8 C=CCNC(=O)C(C)C=C 527a_100020586998_100011216780 [0,2,0,0,0,0|1,0,0]=3 2375 B9R0.8 C=CCNC(=O)C(C)CC 1626a_100020586998_100011192722 [0,2,0,0,0,0|1,0,0]=3 2376 B9R0.8 C=CCNC(=O)C(C)CC 240690a_100020586998_100011192722 [0,2,0,0,0,0|1,0,0]=3 2377 B9R0.8 C=CCNC(=O)C(C)CC 527a_100020586998_100011192722 [0,2,0,0,0,0|1,0,0]=3 2378 B9R0.8 C=CCNC(=O)C(C)NC 2230a_106832991635_100000230288 [0,2,0,0,0,0|1,0,0]=3 2379 B9R0.8 C=CCNC(=O)C(C)NC 7a_106832991635_100000230288 [0,2,0,0,0,0|1,0,0]=3 2380 B9R0.8 C=CCNC(=O)C(C)OC 1626a_100020586998_100000743197 [0,2,0,0,0,0|1,0,0]=3 2381 B9R0.8 C=CCNC(=O)C(C)OC 240690a_100020586998_100000743197 [0,2,0,0,0,0|1,0,0]=3 2382 B9R0.8 C=CCNC(=O)C(C)OC 527a_100020586998_100000743197 [0,2,0,0,0,0|1,0,0]=3 2383 B9R0.8 C=CCNC(=O)C(C)SC 1626a_100020586998_100000149566 [0,2,0,0,0,0|1,0,0]=3 2384 B9R0.8 C=CCNC(=O)C(C)SC 240690a_100020586998_100000149566 [0,2,0,0,0,0|1,0,0]=3 2385 B9R0.8 C=CCNC(=O)C(C)SC 527a_100020586998_100000149566 [0,2,0,0,0,0|1,0,0]=3 2386 B9R0.8 C=CCNC(=O)C(C)SC 62a_100000230288_200000210301 [0,2,0,0,0,0|1,0,0]=3 2387 B9R0.8 C=CCNC(=O)C(C)SC 62a_200000210301_100000230288 [0,2,0,0,0,0|1,0,0]=3 2388 B9R0.8 C=CCNC(=O)C(C)S[13CH3] 62a_100000230288_200025704644 [0,2,0,0,0,0|1,0,0]=3 2389 B9R0.8 C=CCNC(=O)C(C)S[13CH3] 62a_200025704644_100000230288 [0,2,0,0,0,0|1,0,0]=3 2390 B9R0.8 C=CCNC(=O)C(O)CC 240690a_100020586998_100011196387 [0,2,0,0,0,0|1,0,0]=3 2391 B9R0.8 C=CCNC(=O)C(O)CO 240690a_100020586998_100011215603 [0,2,0,0,0,0|1,0,0]=3 2392 B9R0.8 C=CCNC(=O)N(C)CC 273464a_100020586998_100000225621 [0,2,0,0,0,0|1,0,0]=3 2393 B9R0.8 C=CCNC(C)C(=O)CC 2230a_100020586998_100000742827 [0,2,0,0,0,0|1,0,0]=3 2394 B9R0.8 C=CCNC(C)C(=O)NC 2230a_100020586998_100000731044 [0,2,0,0,0,0|2,0,0]=4 2395 B9R0.8 C=CCNC(C)C(=O)OC 2230a_100020586998_100000211248 [0,2,0,0,0,0|2,0,0]=4 2396 B9R0.8 C=CCNC(F)C(=O)NC 2230a_100020586998_100009813575 [0,2,0,0,0,0|2,0,0]=4 2397 B9R0.8 C=CCN[C@H](C)C(=O)NC 2230a_100000684985_100000210623 [0,2,0,0,0,0|2,0,0]=4 2398 B9R0.8 C=CCN[C@H](C)C(=O)NC 34a_100000684985_100015514636 [0,2,0,0,0,0|2,0,0]=4 2399 B9R0.8 C=CCOC(C)C(=O)NC 34a_200000210373_100000731044 [0,2,0,0,0,0|1,1,0]=4 2400 B9R0.8 C=CCOC(C)C(=O)OC 34a_100011215400_100015514636 [0,2,0,0,0,0|1,1,0]=4 2401 B9R0.8 C=CCOC(C)C(=O)OC 34a_200000210373_100000211248 [0,2,0,0,0,0|1,1,0]=4 2402 B9R0.8 C=CCOC(F)C(=O)NC 34a_200000210373_100009813575 [0,2,0,0,0,0|1,1,0]=4 2403 B9R0.8 C=CCSC(C)C(=O)CC 1458a_100000230602_100000210202 [0,2,0,0,0,0|0,0,0]=2 2404 B9R0.8 C=CCSC(C)C(=O)CC 62a_100000210623_100000742827 [0,2,0,0,0,0|0,0,0]=2 2405 B9R0.8 C=CCSC(C)C(=O)CC 62a_100000742827_100000210623 [0,2,0,0,0,0|0,0,0]=2 2406 B9R0.8 C=CCSC(C)C(=O)CF 1458a_100000230602_100015361967 [0,2,0,0,0,0|1,0,0]=3 2407 B9R0.8 C=CCSC(C)C(=O)NC 11a_106832991635_100000230602 [0,2,0,0,0,0|1,0,0]=3 2408 B9R0.8 C=CCSC(C)C(=O)NC 1626a_100102657272_100000230602 [0,2,0,0,0,0|1,0,0]=3 2409 B9R0.8 C=CCSC(C)C(=O)NC 240690a_100102657272_100000230602 [0,2,0,0,0,0|1,0,0]=3 2410 B9R0.8 C=CCSC(C)C(=O)NC 527a_100102657272_100000230602 [0,2,0,0,0,0|1,0,0]=3 2411 B9R0.8 C=CCSC(C)C(=O)NC 62a_100000209862_100000210623 [0,2,0,0,0,0|1,0,0]=3 2412 B9R0.8 C=CCSC(C)C(=O)NC 62a_100000210623_100000731044 [0,2,0,0,0,0|1,0,0]=3 2413 B9R0.8 C=CCSC(C)C(=O)OC 62a_100000210623_100000211248 [0,2,0,0,0,0|1,0,0]=3 2414 B9R0.8 C=CCSC(C)C(=O)OC 62a_100000211248_100000210623 [0,2,0,0,0,0|1,0,0]=3 2415 B9R0.8 C=CCSC(F)C(=O)NC 62a_100000210623_100009813575 [0,2,0,0,0,0|1,0,0]=3 2416 B9R0.8 C=CCSC(F)C(=O)NC 62a_100009813575_100000210623 [0,2,0,0,0,0|1,0,0]=3 2417 B9R0.8 CC=CCC(=O)C(=O)NC 1458a_100011218921_100000070051 [0,2,0,0,0,0|2,0,0]=4 2418 B9R0.8 CCC(=O)C(C)SCC#N 62a_100000742827_100011215382 [0,2,0,0,0,0|1,0,1]=4 2419 B9R0.8 CCC(=O)C(C)SCC#N 62a_100011215382_100000742827 [0,2,0,0,0,0|1,0,1]=4 2420 B9R0.8 CCC(=O)C(C)SCC=O 62a_100000742827_200015260668 [0,2,0,0,0,0|1,0,0]=3 2421 B9R0.8 CCC(=O)C(C)SCC=O 62a_200015260668_100000742827 [0,2,0,0,0,0|1,0,0]=3 2422 B9R0.8 CCC(=O)C(C)SCCF 62a_100000742827_100011217306 [0,2,0,0,0,0|1,0,1]=4 2423 B9R0.8 CCC(=O)C(C)SCCF 62a_100011217306_100000742827 [0,2,0,0,0,0|1,0,1]=4 2424 B9R0.8 CCC(=O)C(C)SCCO 62a_100000211926_100000742827 [0,2,0,0,0,0|1,0,1]=4 2425 B9R0.8 CCC(=O)C(C)SCCO 62a_100000742827_100000211926 [0,2,0,0,0,0|1,0,1]=4 2426 B9R0.8 CCC(=O)C(C)SCOC 62a_100000742827_100000766300 [0,2,0,0,0,0|1,0,1]=4 2427 B9R0.8 CCC(=O)C(C)SCOC 62a_100000766300_100000742827 [0,2,0,0,0,0|1,0,1]=4 2428 B9R0.8 CCC(=O)C(C)SCSC 62a_100000742827_100011218213 [0,2,0,0,0,0|1,0,1]=4 2429 B9R0.8 CCC(=O)C(C)SCSC 62a_100011218213_100000742827 [0,2,0,0,0,0|1,0,1]=4 2430 B9R0.8 CCCSC(C)C(=O)CC 62a_100000210303_100000742827 [0,2,0,0,0,0|0,0,2]=4 2431 B9R0.8 CCCSC(C)C(=O)CC 62a_100000742827_100000210303 [0,2,0,0,0,0|0,0,2]=4 2432 B9R0.8 CNC(=O)C(C)SCC=O 62a_100000209862_200015260668 [0,2,0,0,0,0|2,0,0]=4 2433 B9R0.8 CNC(=O)C(C)SCC=O 62a_200015260668_100000731044 [0,2,0,0,0,0|2,0,0]=4 2434 B9R0.8 CNC(=O)C(F)SCC=O 62a_100009813575_200015260668 [0,2,0,0,0,0|2,0,0]=4 2435 B9R0.8 CNC(=O)C(F)SCC=O 62a_200015260668_100009813575 [0,2,0,0,0,0|2,0,0]=4 2436 B9R0.8 COC(=O)C(C)SCC=O 62a_100000211248_200015260668 [0,2,0,0,0,0|2,0,0]=4 2437 B9R0.8 COC(=O)C(C)SCC=O 62a_200015260668_100000211248 [0,2,0,0,0,0|2,0,0]=4 2438 B9R0.18 C#CCCC(=O)C=CC=C 1458a_100016291481_100000753159 [0,2,0,0,0,0|1,0,1]=4 2439 B9R0.18 C#CCCC(=O)CCC=C 1458a_100000692101_100000754431 [0,2,0,0,0,0|1,0,0]=3 2440 B9R0.18 C#CCCC(=O)CCC=C 1458a_100000749702_100000753159 [0,2,0,0,0,0|1,0,0]=3 2441 B9R0.18 C#CCCC(=O)NCC=C 1626a_100020586998_100000692101 [0,2,0,0,0,0|1,0,0]=3 2442 B9R0.18 C#CCCC(=O)NCC=C 240690a_100020586998_100000692101 [0,2,0,0,0,0|1,0,0]=3 2443 B9R0.18 C#CCCC(=O)NCC=C 527a_100020586998_100000692101 [0,2,0,0,0,0|1,0,0]=3 2444 B9R0.18 C#CCNC(=O)CCC=C 11a_100000212058_100000749702 [0,2,0,0,0,0|1,0,1]=4 2445 B9R0.18 C#CCNC(=O)CCC=C 1626a_100000212058_100000749702 [0,2,0,0,0,0|1,0,1]=4 2446 B9R0.18 C#CCNC(=O)CCC=C 240690a_100000212058_100000749702 [0,2,0,0,0,0|1,0,1]=4 2447 B9R0.18 C#CCNC(=O)CCC=C 527a_100000212058_100000749702 [0,2,0,0,0,0|1,0,1]=4 2448 B9R0.18 C#CCNC(=O)NCC=C 2708a_100000212058_100020586998 [0,2,0,0,0,0|1,0,1]=4 2449 B9R0.18 C#CCNC(=O)NCC=C 273464a_100000212058_100020586998 [0,2,0,0,0,0|1,0,1]=4 2450 B9R0.18 C#CCNC(=O)NCC=C 273464a_100020586998_100000212058 [0,2,0,0,0,0|1,0,1]=4 2451 B9R0.18 C#CCNC(=O)NCC=C 512a_100000212058_100020586998 [0,2,0,0,0,0|1,0,1]=4 2452 B9R0.18 C#CCNC(=O)NCC=C 512a_100020586998_100000212058 [0,2,0,0,0,0|1,0,1]=4 2453 B9R0.18 C=CC=CC(=O)C/C=C/C 1458a_100016291481_100102629194 [0,2,0,0,0,0|1,0,1]=4 2454 B9R0.18 C=CC=CC(=O)CC#CC 1458a_100016291481_100000748600 [0,2,0,0,0,0|1,0,1]=4 2455 B9R0.18 C=CC=CC(=O)CC=CC 1458a_100016291481_100000070051 [0,2,0,0,0,0|1,0,1]=4 2456 B9R0.18 C=CC=CC(=O)CCC#N 1458a_100016291481_100011215226 [0,2,0,0,0,0|1,0,1]=4 2457 B9R0.18 C=CC=CC(=O)CCC=C 1458a_100016291481_100000754431 [0,2,0,0,0,0|1,0,1]=4 2458 B9R0.18 C=CC=CC(=O)CCCC 1458a_100016291481_100000210211 [0,2,0,0,0,0|1,0,1]=4 2459 B9R0.18 C=CC=CC(=O)CCCF 1458a_100016291481_100011934791 [0,2,0,0,0,0|1,0,1]=4 2460 B9R0.18 C=CC=CC(=O)CCCO 1458a_100016291481_100011215043 [0,2,0,0,0,0|1,0,1]=4 2461 B9R0.18 C=CC=CC(=O)CCOC 1458a_100016291481_100000233755 [0,2,0,0,0,0|1,0,1]=4 2462 B9R0.18 C=CC=CC(=O)CCSC 1458a_100016291481_100000751147 [0,2,0,0,0,0|1,0,1]=4 2463 B9R0.18 C=CC=CC(=O)NCCC 1626a_100020643023_100016291481 [0,2,0,0,0,0|1,0,1]=4 2464 B9R0.18 C=CC=CC(=O)NCCF 1626a_100000724931_100016291481 [0,2,0,0,0,0|1,0,1]=4 2465 B9R0.18 C=CC=CC(=O)NNCC 22a_100000756455_100016291481 [0,2,0,0,0,0|1,0,1]=4 2466 B9R0.18 C=CCCC(=NNCC)C 4a_100000756455_100000762624 [0,2,0,0,0,0|2,0,0]=4 2467 B9R0.18 C=CCCC(=O)C#CCC 1458a_100011827653_100000754431 [0,2,0,0,0,0|1,0,0]=3 2468 B9R0.18 C=CCCC(=O)C#CCO 1458a_100000049017_100000754431 [0,2,0,0,0,0|1,0,1]=4 2469 B9R0.18 C=CCCC(=O)C/C=C/C 1458a_100000749702_100102629194 [0,2,0,0,0,0|1,0,0]=3 2470 B9R0.18 C=CCCC(=O)C=CCC 1458a_100000212282_100000754431 [0,2,0,0,0,0|1,0,0]=3 2471 B9R0.18 C=CCCC(=O)C=COC 1458a_100016268678_100000754431 [0,2,0,0,0,0|1,0,1]=4 2472 B9R0.18 C=CCCC(=O)CC#CC 1458a_100000749702_100000748600 [0,2,0,0,0,0|1,0,0]=3 2473 B9R0.18 C=CCCC(=O)CC=CC 1458a_100000749702_100000070051 [0,2,0,0,0,0|1,0,0]=3 2474 B9R0.18 C=CCCC(=O)CC=CC 1458a_100121576822_100000754431 [0,2,0,0,0,0|1,0,0]=3 2475 B9R0.18 C=CCCC(=O)CCC#N 1458a_100000749702_100011215226 [0,2,0,0,0,0|1,0,0]=3 2476 B9R0.18 C=CCCC(=O)CCC#N 1458a_100011934036_100000754431 [0,2,0,0,0,0|1,0,0]=3 2477 B9R0.18 C=CCCC(=O)CCC=C 1458a_100000749702_100000754431 [0,2,0,0,0,0|1,0,0]=3 2478 B9R0.18 C=CCCC(=O)CCCC 1458a_100000210183_100000754431 [0,2,0,0,0,0|1,0,0]=3 2479 B9R0.18 C=CCCC(=O)CCCC 1458a_100000749702_100000210211 [0,2,0,0,0,0|1,0,0]=3 2480 B9R0.18 C=CCCC(=O)CCCF 1458a_100000749702_100011934791 [0,2,0,0,0,0|1,0,0]=3 2481 B9R0.18 C=CCCC(=O)CCCO 1458a_100000749702_100011215043 [0,2,0,0,0,0|1,0,0]=3 2482 B9R0.18 C=CCCC(=O)CCOC 1458a_100000749529_100000754431 [0,2,0,0,0,0|1,0,0]=3 2483 B9R0.18 C=CCCC(=O)CCOC 1458a_100000749702_100000233755 [0,2,0,0,0,0|1,0,0]=3 2484 B9R0.18 C=CCCC(=O)CCSC 1458a_100000174002_100000754431 [0,2,0,0,0,0|1,0,0]=3 2485 B9R0.18 C=CCCC(=O)CCSC 1458a_100000749702_100000751147 [0,2,0,0,0,0|1,0,0]=3 2486 B9R0.18 C=CCCC(=O)COCC 1458a_100000211967_100000754431 [0,2,0,0,0,0|1,0,0]=3 2487 B9R0.18 C=CCCC(=O)CSCC 1458a_100000230394_100000754431 [0,2,0,0,0,0|1,0,0]=3 2488 B9R0.18 C=CCCC(=O)NCC#N 1626a_100000734998_100000749702 [0,2,0,0,0,0|1,0,1]=4 2489 B9R0.18 C=CCCC(=O)NCC#N 527a_100000734998_100000749702 [0,2,0,0,0,0|1,0,1]=4 2490 B9R0.18 C=CCCC(=O)NCC=C 1626a_100020586998_100000749702 [0,2,0,0,0,0|1,0,0]=3 2491 B9R0.18 C=CCCC(=O)NCC=C 240690a_100020586998_100000749702 [0,2,0,0,0,0|1,0,0]=3 2492 B9R0.18 C=CCCC(=O)NCC=C 527a_100020586998_100000749702 [0,2,0,0,0,0|1,0,0]=3 2493 B9R0.18 C=CCCC(=O)NCCC 11a_100020643023_100000749702 [0,2,0,0,0,0|1,0,0]=3 2494 B9R0.18 C=CCCC(=O)NCCC 1626a_100020643023_100000749702 [0,2,0,0,0,0|1,0,0]=3 2495 B9R0.18 C=CCCC(=O)NCCC 240690a_100020643023_100000749702 [0,2,0,0,0,0|1,0,0]=3 2496 B9R0.18 C=CCCC(=O)NCCC 527a_100020643023_100000749702 [0,2,0,0,0,0|1,0,0]=3 2497 B9R0.18 C=CCCC(=O)NCCF 11a_100000724931_100000749702 [0,2,0,0,0,0|1,0,0]=3 2498 B9R0.18 C=CCCC(=O)NCCF 1626a_100000724931_100000749702 [0,2,0,0,0,0|1,0,0]=3 2499 B9R0.18 C=CCCC(=O)NCCF 240690a_100000724931_100000749702 [0,2,0,0,0,0|1,0,0]=3 2500 B9R0.18 C=CCCC(=O)NCCF 527a_100000724931_100000749702 [0,2,0,0,0,0|1,0,0]=3 2501 B9R0.18 C=CCCC(=O)NCCO 240690a_100000210304_100000749702 [0,2,0,0,0,0|1,0,0]=3 2502 B9R0.18 C=CCCC(=O)NCCO 527a_100000210304_100000749702 [0,2,0,0,0,0|1,0,0]=3 2503 B9R0.18 C=CCCC(=O)NNCC 22a_100000756455_100000749702 [0,2,0,0,0,0|1,0,0]=3 2504 B9R0.18 C=CCNC(=O)C=CCC 1626a_100020586998_100000212282 [0,2,0,0,0,0|1,0,0]=3 2505 B9R0.18 C=CCNC(=O)C=CCC 240690a_100020586998_100000212282 [0,2,0,0,0,0|1,0,0]=3 2506 B9R0.18 C=CCNC(=O)C=COC 1626a_100020586998_100016268678 [0,2,0,0,0,0|1,0,1]=4 2507 B9R0.18 C=CCNC(=O)C=COC 240690a_100020586998_100016268678 [0,2,0,0,0,0|1,0,1]=4 2508 B9R0.18 C=CCNC(=O)CC=CC 1626a_100020586998_100121576822 [0,2,0,0,0,0|1,0,0]=3 2509 B9R0.18 C=CCNC(=O)CC=CC 240690a_100020586998_100121576822 [0,2,0,0,0,0|1,0,0]=3 2510 B9R0.18 C=CCNC(=O)CC=CC 527a_100020586998_100121576822 [0,2,0,0,0,0|1,0,0]=3 2511 B9R0.18 C=CCNC(=O)CCC#N 1626a_100020586998_100011934036 [0,2,0,0,0,0|1,0,0]=3 2512 B9R0.18 C=CCNC(=O)CCC#N 240690a_100020586998_100011934036 [0,2,0,0,0,0|1,0,0]=3 2513 B9R0.18 C=CCNC(=O)CCC#N 527a_100020586998_100011934036 [0,2,0,0,0,0|1,0,0]=3 2514 B9R0.18 C=CCNC(=O)CCCC 1626a_100020586998_100000210183 [0,2,0,0,0,0|1,0,0]=3 2515 B9R0.18 C=CCNC(=O)CCCC 240690a_100020586998_100000210183 [0,2,0,0,0,0|1,0,0]=3 2516 B9R0.18 C=CCNC(=O)CCCC 527a_100020586998_100000210183 [0,2,0,0,0,0|1,0,0]=3 2517 B9R0.18 C=CCNC(=O)CCNC 2230a_106832991635_100011222895 [0,2,0,0,0,0|1,0,0]=3 2518 B9R0.18 C=CCNC(=O)CCNC 7a_106832991635_100011222895 [0,2,0,0,0,0|1,0,0]=3 2519 B9R0.18 C=CCNC(=O)CCOC 1626a_100020586998_100000749529 [0,2,0,0,0,0|1,0,0]=3 2520 B9R0.18 C=CCNC(=O)CCOC 240690a_100020586998_100000749529 [0,2,0,0,0,0|1,0,0]=3 2521 B9R0.18 C=CCNC(=O)CCOC 527a_100020586998_100000749529 [0,2,0,0,0,0|1,0,0]=3 2522 B9R0.18 C=CCNC(=O)CCSC 1626a_100020586998_100000174002 [0,2,0,0,0,0|1,0,0]=3 2523 B9R0.18 C=CCNC(=O)CCSC 240690a_100020586998_100000174002 [0,2,0,0,0,0|1,0,0]=3 2524 B9R0.18 C=CCNC(=O)CCSC 527a_100020586998_100000174002 [0,2,0,0,0,0|1,0,0]=3 2525 B9R0.18 C=CCNC(=O)CCSC 62a_100011222895_200000210301 [0,2,0,0,0,0|1,0,0]=3 2526 B9R0.18 C=CCNC(=O)CCSC 62a_200000210301_100011222895 [0,2,0,0,0,0|1,0,0]=3 2527 B9R0.18 C=CCNC(=O)CCS[13CH3] 62a_100011222895_200025704644 [0,2,0,0,0,0|1,0,0]=3 2528 B9R0.18 C=CCNC(=O)CCS[13CH3] 62a_200025704644_100011222895 [0,2,0,0,0,0|1,0,0]=3 2529 B9R0.18 C=CCNC(=O)CN=[N+]=[N-] 240690a_100020586998_100000751907 [0,2,0,0,0,0|2,0,0]=4 2530 B9R0.18 C=CCNC(=O)CNCC 2230a_100015525214_100000183597 [0,2,0,0,0,0|1,0,0]=3 2531 B9R0.18 C=CCNC(=O)COCC 1626a_100020586998_100000211967 [0,2,0,0,0,0|1,0,0]=3 2532 B9R0.18 C=CCNC(=O)COCC 240690a_100020586998_100000211967 [0,2,0,0,0,0|1,0,0]=3 2533 B9R0.18 C=CCNC(=O)COCC 527a_100020586998_100000211967 [0,2,0,0,0,0|1,0,0]=3 2534 B9R0.18 C=CCNC(=O)CSCC 1626a_100020586998_100000230394 [0,2,0,0,0,0|1,0,0]=3 2535 B9R0.18 C=CCNC(=O)CSCC 240690a_100020586998_100000230394 [0,2,0,0,0,0|1,0,0]=3 2536 B9R0.18 C=CCNC(=O)CSCC 527a_100020586998_100000230394 [0,2,0,0,0,0|1,0,0]=3 2537 B9R0.18 C=CCNC(=O)CSCC 62a_100000183597_100000210202 [0,2,0,0,0,0|1,0,0]=3 2538 B9R0.18 C=CCNC(=O)CSCC 62a_100000210202_100000183597 [0,2,0,0,0,0|1,0,0]=3 2539 B9R0.18 C=CCNC(=O)CSCF 62a_100000183597_100015361967 [0,2,0,0,0,0|1,0,0]=3 2540 B9R0.18 C=CCNC(=O)CSCF 62a_100015361967_100000183597 [0,2,0,0,0,0|1,0,0]=3 2541 B9R0.18 C=CCNC(=O)NCC#N 2708a_100000734998_100020586998 [0,2,0,0,0,0|1,0,1]=4 2542 B9R0.18 C=CCNC(=O)NCC#N 273464a_100000734998_100020586998 [0,2,0,0,0,0|1,0,1]=4 2543 B9R0.18 C=CCNC(=O)NCC#N 273464a_100020586998_100000734998 [0,2,0,0,0,0|1,0,1]=4 2544 B9R0.18 C=CCNC(=O)NCC#N 512a_100000734998_100020586998 [0,2,0,0,0,0|1,0,1]=4 2545 B9R0.18 C=CCNC(=O)NCC#N 512a_100020586998_100000734998 [0,2,0,0,0,0|1,0,1]=4 2546 B9R0.18 C=CCNC(=O)NCC=C 273464a_100020586998_100020586998 [0,2,0,0,0,0|1,0,1]=4 2547 B9R0.18 C=CCNC(=O)NCC=C 512a_100020586998_100020586998 [0,2,0,0,0,0|1,0,1]=4 2548 B9R0.18 C=CCNC(=O)NCCC 2708a_100020643023_100020586998 [0,2,0,0,0,0|1,0,0]=3 2549 B9R0.18 C=CCNC(=O)NCCC 273464a_100020586998_100020643023 [0,2,0,0,0,0|1,0,0]=3 2550 B9R0.18 C=CCNC(=O)NCCC 273464a_100020643023_100020586998 [0,2,0,0,0,0|1,0,0]=3 2551 B9R0.18 C=CCNC(=O)NCCC 512a_100020586998_100020643023 [0,2,0,0,0,0|1,0,0]=3 2552 B9R0.18 C=CCNC(=O)NCCC 512a_100020643023_100020586998 [0,2,0,0,0,0|1,0,0]=3 2553 B9R0.18 C=CCNC(=O)NCCF 273464a_100000724931_100020586998 [0,2,0,0,0,0|1,0,0]=3 2554 B9R0.18 C=CCNC(=O)NCCF 273464a_100020586998_100000724931 [0,2,0,0,0,0|1,0,0]=3 2555 B9R0.18 C=CCNC(=O)NCCF 512a_100020586998_100000724931 [0,2,0,0,0,0|1,0,0]=3 2556 B9R0.18 C=CCNC(=O)NCCO 273464a_100000210304_100020586998 [0,2,0,0,0,0|1,0,0]=3 2557 B9R0.18 C=CCNC(=O)NCCO 273464a_100020586998_100000210304 [0,2,0,0,0,0|1,0,0]=3 2558 B9R0.18 C=CCNC(=O)NCCO 512a_100020586998_100000210304 [0,2,0,0,0,0|1,0,0]=3 2559 B9R0.18 C=CCNC(=O)NNCC 273464a_100020586998_100000756455 [0,2,0,0,0,0|1,0,0]=3 2560 B9R0.18 C=CCNC(=O)NNCC 512a_100000756455_100020586998 [0,2,0,0,0,0|1,0,0]=3 2561 B9R0.18 C=CCNC(=O)NNCC 512a_100020586998_100000756455 [0,2,0,0,0,0|1,0,0]=3 2562 B9R0.18 C=CCOC(=O)CNCC 2230a_100015525214_100000033060 [0,2,0,0,0,0|0,1,0]=3 2563 B9R0.18 C=CCOC(=O)COCC 34a_100121572206_100000033060 [0,2,0,0,0,0|0,1,0]=3 2564 B9R0.18 C=CCOC(=O)CSCC 62a_100000033060_100000210202 [0,2,0,0,0,0|0,1,0]=3 2565 B9R0.18 C=CCOC(=O)CSCC 62a_100000210202_100000033060 [0,2,0,0,0,0|0,1,0]=3 2566 B9R0.18 C=CCOC(=O)CSCF 62a_100000033060_100015361967 [0,2,0,0,0,0|0,1,0]=3 2567 B9R0.18 C=CCOC(=O)CSCF 62a_100015361967_100000033060 [0,2,0,0,0,0|0,1,0]=3 2568 B9R0.18 C=CCSC(C)CCCC 62a_100000210623_200011215066 [0,2,0,0,0,0|1,0,1]=4 2569 B9R0.18 C=CCSC(C)CCCC 62a_200011215066_100000210623 [0,2,0,0,0,0|1,0,1]=4 2570 B9R0.34 C#CCC(=O)CC(C)C=C 1458a_100011934298_100000184674 [0,2,0,0,0,0|1,0,1]=4 2571 B9R0.34 C=CC(=O)CC(=O)CCC 1458a_100000185746_100000747444 [0,2,0,0,0,0|1,0,1]=4 2572 B9R0.34 C=CC(=O)CC(=O)NCC 1458a_100000185746_100000183381 [0,2,0,0,0,0|1,0,1]=4 2573 B9R0.34 C=CC(=O)CC(=O)OCC 1458a_100000185746_100000188475 [0,2,0,0,0,0|1,0,1]=4 2574 B9R0.34 C=CC(C)CC(=O)CC#N 1458a_100011934298_100011214920 [0,2,0,0,0,0|1,0,1]=4 2575 B9R0.34 C=CC(C)CC(=O)CCC 1458a_100011934298_100000210303 [0,2,0,0,0,0|1,0,0]=3 2576 B9R0.34 C=CC(C)CC(=O)CCF 1458a_100011934298_100011217306 [0,2,0,0,0,0|1,0,0]=3 2577 B9R0.34 C=CC(C)CC(=O)CCO 1458a_100011934298_100000211926 [0,2,0,0,0,0|1,0,0]=3 2578 B9R0.34 C=CC(C)CC(=O)NCC 11a_100015525214_100011934298 [0,2,0,0,0,0|1,0,0]=3 2579 B9R0.34 C=CC(C)CC(=O)NCC 240690a_100015525214_100011934298 [0,2,0,0,0,0|1,0,0]=3 2580 B9R0.34 C=CC(C)CC(=O)NCC 527a_100015525214_100011934298 [0,2,0,0,0,0|1,0,0]=3 2581 B9R0.34 C=CC(C)CC(=O)NNC 22a_100016993582_100011934298 [0,2,0,0,0,0|2,0,0]=4 2582 B9R0.34 C=CC(C)SC(C)CCC 62a_100011215867_100000766640 [0,2,0,0,0,0|1,0,1]=4 2583 B9R0.34 C=CC(C)SC(C)CCO 62a_100011215867_100009893172 [0,2,0,0,0,0|1,0,1]=4 2584 B9R0.34 C=CC(C)SC(C)COC 62a_100011215867_100000765312 [0,2,0,0,0,0|1,0,1]=4 2585 B9R0.34 C=CCC(=O)C=C(C)CC 1458a_100020758463_100000210623 [0,2,0,0,0,0|2,0,0]=4 2586 B9R0.34 C=CCC(=O)CC(=O)CC 1458a_100000210193_100000747405 [0,2,0,0,0,0|1,0,0]=3 2587 B9R0.34 C=CCC(=O)CC(=O)NC 1458a_100000210193_100000183359 [0,2,0,0,0,0|2,0,0]=4 2588 B9R0.34 C=CCC(=O)CC(=O)OC 1458a_100000210193_100000747449 [0,2,0,0,0,0|2,0,0]=4 2589 B9R0.34 C=CCC(=O)CC(=O)OC 1458a_100000211351_100000210623 [0,2,0,0,0,0|2,0,0]=4 2590 B9R0.34 C=CCC(=O)CC(C)C=C 1458a_100011934298_100000210623 [0,2,0,0,0,0|1,0,1]=4 2591 B9R0.34 C=CCN(C)CC(=O)CC 269982a_100000225617_100000747405 [0,2,0,0,0,0|1,0,0]=3 2592 B9R0.34 C=CCN(C)CC(=O)NC 2230a_100000189611_100000210623 [0,2,0,0,0,0|2,0,0]=4 2593 B9R0.34 C=CCN(C)CC(=O)NC 2230a_100000225617_100000183359 [0,2,0,0,0,0|2,0,0]=4 2594 B9R0.34 C=CCN(C)CC(=O)NC 269982a_100000225617_100000183359 [0,2,0,0,0,0|2,0,0]=4 2595 B9R0.34 C=CCN(C)CC(=O)OC 2230a_100000198492_100000210623 [0,2,0,0,0,0|2,0,0]=4 2596 B9R0.34 C=CCN(C)CC(=O)OC 2230a_100000225617_100000747449 [0,2,0,0,0,0|2,0,0]=4 2597 B9R0.34 C=CCN(C)CC(=O)OC 269982a_100000225617_100000747449 [0,2,0,0,0,0|2,0,0]=4 2598 B9R0.34 C=COC(=O)CC(=O)CC 1458a_100000210414_100000036128 [0,2,0,0,0,0|1,0,1]=4 2599 B9R0.34 CC=CC(=O)CC(=O)CC 1458a_100000210699_100000747405 [0,2,0,0,0,0|1,0,1]=4 2600 B9R0.34 CCC(=O)CC(=O)C=CBr 1458a_100016273825_100000747405 [0,2,0,0,0,0|1,0,1]=4 2601 B9R0.34 CCC(=O)CC(=O)C=CCl 1458a_200016279998_100000747405 [0,2,0,0,0,0|1,0,1]=4 2602 B9R0.34 CCC(=O)CC(=O)C=CI 1458a_100016256311_100000747405 [0,2,0,0,0,0|1,0,1]=4 2603 B9R0.35 C#CCC(=O)C(C)CC=C 1458a_100011216819_100000184674 [0,2,0,0,0,0|1,0,1]=4 2604 B9R0.35 C#CCC(=O)N(C)CC=C 1626a_100000225617_100011220946 [0,2,0,0,0,0|1,0,1]=4 2605 B9R0.35 C#CCC(=O)N(C)CC=C 527a_100000225617_100011220946 [0,2,0,0,0,0|1,0,1]=4 2606 B9R0.35 C=CCC(=O)/C(=C/CC)/C 1458a_100016988807_100000210623 [0,2,0,0,0,0|2,0,0]=4 2607 B9R0.35 C=CCC(=O)C(=O)NCC 1458a_200011297158_100000210623 [0,2,0,0,0,0|1,0,0]=3 2608 B9R0.35 C=CCC(=O)C(C)CC=C 1458a_100011216819_100000210623 [0,2,0,0,0,0|1,0,1]=4 2609 B9R0.35 C=CCC(=O)N(C)CC=C 11a_100000225617_100000210193 [0,2,0,0,0,0|1,0,1]=4 2610 B9R0.35 C=CCC(=O)N(C)CC=C 1626a_100000225617_100000210193 [0,2,0,0,0,0|1,0,1]=4 2611 B9R0.35 C=CCC(=O)N(C)CC=C 240690a_100000225617_100000210193 [0,2,0,0,0,0|1,0,1]=4 2612 B9R0.35 C=CCC(=O)N(C)CC=C 527a_100000225617_100000210193 [0,2,0,0,0,0|1,0,1]=4 2613 B9R0.35 C=CCC(C)C(=O)CC#N 1458a_100011216819_100011214920 [0,2,0,0,0,0|1,0,1]=4 2614 B9R0.35 C=CCC(C)C(=O)CCC 1458a_100011216819_100000210303 [0,2,0,0,0,0|1,0,0]=3 2615 B9R0.35 C=CCC(C)C(=O)CCF 1458a_100011216819_100011217306 [0,2,0,0,0,0|1,0,0]=3 2616 B9R0.35 C=CCC(C)C(=O)CCO 1458a_100011216819_100000211926 [0,2,0,0,0,0|1,0,0]=3 2617 B9R0.35 C=CCC(C)C(=O)NCC 11a_100015525214_100011216819 [0,2,0,0,0,0|1,0,0]=3 2618 B9R0.35 C=CCC(C)C(=O)NCC 240690a_100015525214_100011216819 [0,2,0,0,0,0|1,0,0]=3 2619 B9R0.35 C=CCC(C)C(=O)NCC 527a_100015525214_100011216819 [0,2,0,0,0,0|1,0,0]=3 2620 B9R0.35 C=CCC(C)C(=O)NNC 22a_100016993582_100011216819 [0,2,0,0,0,0|2,0,0]=4 2621 B9R0.35 C=CCN(C)C(=O)C=CC 11a_100000225617_100000210699 [0,2,0,0,0,0|1,0,1]=4 2622 B9R0.35 C=CCN(C)C(=O)C=CC 1626a_100000225617_100000210699 [0,2,0,0,0,0|1,0,1]=4 2623 B9R0.35 C=CCN(C)C(=O)C=CC 240690a_100000225617_100000210699 [0,2,0,0,0,0|1,0,1]=4 2624 B9R0.35 C=CCN(C)C(=O)CC#N 1626a_100000225617_100051588842 [0,2,0,0,0,0|1,0,1]=4 2625 B9R0.35 C=CCN(C)C(=O)CC#N 240690a_100000225617_100051588842 [0,2,0,0,0,0|1,0,1]=4 2626 B9R0.35 C=CCN(C)C(=O)CCC 11a_100000225617_100000211992 [0,2,0,0,0,0|1,0,0]=3 2627 B9R0.35 C=CCN(C)C(=O)CCC 1626a_100000225617_100000211992 [0,2,0,0,0,0|1,0,0]=3 2628 B9R0.35 C=CCN(C)C(=O)CCC 240690a_100000225617_100000211992 [0,2,0,0,0,0|1,0,0]=3 2629 B9R0.35 C=CCN(C)C(=O)CCC 527a_100000225617_100000211992 [0,2,0,0,0,0|1,0,0]=3 2630 B9R0.35 C=CCN(C)C(=O)CCO 240690a_100000225617_100011216618 [0,2,0,0,0,0|1,0,0]=3 2631 B9R0.35 C=CCN(C)C(=O)COC 11a_100000225617_100000210968 [0,2,0,0,0,0|1,0,0]=3 2632 B9R0.35 C=CCN(C)C(=O)COC 1626a_100000225617_100000210968 [0,2,0,0,0,0|1,0,0]=3 2633 B9R0.35 C=CCN(C)C(=O)COC 240690a_100000225617_100000210968 [0,2,0,0,0,0|1,0,0]=3 2634 B9R0.35 C=CCN(C)C(=O)COC 527a_100000225617_100000210968 [0,2,0,0,0,0|1,0,0]=3 2635 B9R0.35 C=CCN(C)C(=O)CSC 11a_100000225617_100000184570 [0,2,0,0,0,0|1,0,0]=3 2636 B9R0.35 C=CCN(C)C(=O)CSC 1626a_100000225617_100000184570 [0,2,0,0,0,0|1,0,0]=3 2637 B9R0.35 C=CCN(C)C(=O)CSC 240690a_100000225617_100000184570 [0,2,0,0,0,0|1,0,0]=3 2638 B9R0.35 C=CCN(C)C(=O)CSC 527a_100000225617_100000184570 [0,2,0,0,0,0|1,0,0]=3 2639 B9R0.35 C=CCN(C)C(=O)NCC 2708a_100015525214_100000225617 [0,2,0,0,0,0|1,0,0]=3 2640 B9R0.35 C=CCN(C)C(=O)NCC 273464a_100015525214_100000225617 [0,2,0,0,0,0|1,0,0]=3 2641 B9R0.40 C=CCSC(CC)CCC 62a_100000210623_100011219200 [0,2,0,0,0,0|1,0,1]=4 2642 B9R0.40 C=CCSC(CC)CCC 62a_100011219200_100000210623 [0,2,0,0,0,0|1,0,1]=4 2643 B9R0.48 C#CCC(=O)CCC(=C)C 1458a_100011220946_100000730704 [0,2,0,0,0,0|1,0,1]=4 2644 B9R0.48 C#CCC(=O)CCC(=C)C 1458a_200000688413_100000184674 [0,2,0,0,0,0|1,0,1]=4 2645 B9R0.48 C#CCC(=O)NCC(=C)C 1626a_100000765925_100011220946 [0,2,0,0,0,0|1,0,1]=4 2646 B9R0.48 C#CCC(=O)NCC(=C)C 527a_100000765925_100011220946 [0,2,0,0,0,0|1,0,1]=4 2647 B9R0.48 C=C(C)CCC(=O)C#CC 1458a_100000763181_100000730704 [0,2,0,0,0,0|1,0,1]=4 2648 B9R0.48 C=C(C)CCC(=O)C=CC 1458a_100000210699_100000730704 [0,2,0,0,0,0|1,0,1]=4 2649 B9R0.48 C=C(C)CCC(=O)CC#N 1458a_100051588842_100000730704 [0,2,0,0,0,0|1,0,1]=4 2650 B9R0.48 C=C(C)CCC(=O)CC#N 1458a_200000688413_100011214920 [0,2,0,0,0,0|1,0,1]=4 2651 B9R0.48 C=C(C)CCC(=O)CCC 1458a_100000211992_100000730704 [0,2,0,0,0,0|1,0,0]=3 2652 B9R0.48 C=C(C)CCC(=O)CCC 1458a_200000688413_100000210303 [0,2,0,0,0,0|1,0,0]=3 2653 B9R0.48 C=C(C)CCC(=O)CCF 1458a_200000688413_100011217306 [0,2,0,0,0,0|1,0,0]=3 2654 B9R0.48 C=C(C)CCC(=O)CCO 1458a_100011216618_100000730704 [0,2,0,0,0,0|1,0,0]=3 2655 B9R0.48 C=C(C)CCC(=O)CCO 1458a_200000688413_100000211926 [0,2,0,0,0,0|1,0,0]=3 2656 B9R0.48 C=C(C)CCC(=O)COC 1458a_100000210968_100000730704 [0,2,0,0,0,0|1,0,0]=3 2657 B9R0.48 C=C(C)CCC(=O)CSC 1458a_100000184570_100000730704 [0,2,0,0,0,0|1,0,0]=3 2658 B9R0.48 C=C(C)CCC(=O)NCC 11a_100015525214_200000688413 [0,2,0,0,0,0|1,0,0]=3 2659 B9R0.48 C=C(C)CCC(=O)NCC 240690a_100015525214_200000688413 [0,2,0,0,0,0|1,0,0]=3 2660 B9R0.48 C=C(C)CCC(=O)NCC 527a_100015525214_200000688413 [0,2,0,0,0,0|1,0,0]=3 2661 B9R0.48 C=C(C)CCC(=O)NNC 22a_100016993582_200000688413 [0,2,0,0,0,0|2,0,0]=4 2662 B9R0.48 C=C(C)CNC(=O)C=CC 11a_100000765925_100000210699 [0,2,0,0,0,0|1,0,1]=4 2663 B9R0.48 C=C(C)CNC(=O)C=CC 1626a_100000765925_100000210699 [0,2,0,0,0,0|1,0,1]=4 2664 B9R0.48 C=C(C)CNC(=O)C=CC 240690a_100000765925_100000210699 [0,2,0,0,0,0|1,0,1]=4 2665 B9R0.48 C=C(C)CNC(=O)CC#N 1626a_100000765925_100051588842 [0,2,0,0,0,0|1,0,1]=4 2666 B9R0.48 C=C(C)CNC(=O)CC#N 240690a_100000765925_100051588842 [0,2,0,0,0,0|1,0,1]=4 2667 B9R0.48 C=C(C)CNC(=O)CCC 11a_100000765925_100000211992 [0,2,0,0,0,0|1,0,0]=3 2668 B9R0.48 C=C(C)CNC(=O)CCC 1626a_100000765925_100000211992 [0,2,0,0,0,0|1,0,0]=3 2669 B9R0.48 C=C(C)CNC(=O)CCC 240690a_100000765925_100000211992 [0,2,0,0,0,0|1,0,0]=3 2670 B9R0.48 C=C(C)CNC(=O)CCC 527a_100000765925_100000211992 [0,2,0,0,0,0|1,0,0]=3 2671 B9R0.48 C=C(C)CNC(=O)CCO 240690a_100000765925_100011216618 [0,2,0,0,0,0|1,0,0]=3 2672 B9R0.48 C=C(C)CNC(=O)COC 11a_100000765925_100000210968 [0,2,0,0,0,0|1,0,0]=3 2673 B9R0.48 C=C(C)CNC(=O)COC 1626a_100000765925_100000210968 [0,2,0,0,0,0|1,0,0]=3 2674 B9R0.48 C=C(C)CNC(=O)COC 240690a_100000765925_100000210968 [0,2,0,0,0,0|1,0,0]=3 2675 B9R0.48 C=C(C)CNC(=O)COC 527a_100000765925_100000210968 [0,2,0,0,0,0|1,0,0]=3 2676 B9R0.48 C=C(C)CNC(=O)CSC 11a_100000765925_100000184570 [0,2,0,0,0,0|1,0,0]=3 2677 B9R0.48 C=C(C)CNC(=O)CSC 1626a_100000765925_100000184570 [0,2,0,0,0,0|1,0,0]=3 2678 B9R0.48 C=C(C)CNC(=O)CSC 240690a_100000765925_100000184570 [0,2,0,0,0,0|1,0,0]=3 2679 B9R0.48 C=C(C)CNC(=O)CSC 527a_100000765925_100000184570 [0,2,0,0,0,0|1,0,0]=3 2680 B9R0.48 C=C(C)CNC(=O)NCC 2708a_100000765925_100015525214 [0,2,0,0,0,0|1,0,0]=3 2681 B9R0.48 C=C(C)CNC(=O)NCC 2708a_100015525214_100000765925 [0,2,0,0,0,0|1,0,0]=3 2682 B9R0.48 C=C(C)CNC(=O)NCC 273464a_100000765925_100015525214 [0,2,0,0,0,0|1,0,0]=3 2683 B9R0.48 C=C(C)CNC(=O)NCC 273464a_100015525214_100000765925 [0,2,0,0,0,0|1,0,0]=3 2684 B9R0.48 C=C(C)CNC(=O)NCC 512a_100000765925_100015525214 [0,2,0,0,0,0|1,0,0]=3 2685 B9R0.48 C=C(C)CNC(=O)NCC 512a_100015525214_100000765925 [0,2,0,0,0,0|1,0,0]=3 2686 B9R0.48 C=C(C)CNC(=O)NNC 273464a_100000765925_100016993582 [0,2,0,0,0,0|2,0,0]=4 2687 B9R0.48 C=C(C)CNC(=O)NNC 512a_100000765925_100016993582 [0,2,0,0,0,0|2,0,0]=4 2688 B9R0.48 C=C(C)CNC(=O)NNC 512a_100016993582_100000765925 [0,2,0,0,0,0|2,0,0]=4 2689 B9R0.48 C=C(C)CSC(C)CCC 62a_100000748629_100000766640 [0,2,0,0,0,0|1,0,1]=4 2690 B9R0.48 C=C(C)CSC(C)CCC 62a_100000766640_100000211660 [0,2,0,0,0,0|1,0,1]=4 2691 B9R0.48 C=C(C)CSC(C)CCO 62a_100000748629_100009893172 [0,2,0,0,0,0|1,0,1]=4 2692 B9R0.48 C=C(C)CSC(C)CCO 62a_100009893172_100000211660 [0,2,0,0,0,0|1,0,1]=4 2693 B9R0.48 C=C(C)CSC(C)COC 62a_100000748629_100000765312 [0,2,0,0,0,0|1,0,1]=4 2694 B9R0.48 C=C(C)CSC(C)COC 62a_100000765312_100000211660 [0,2,0,0,0,0|1,0,1]=4 2695 B9R0.48 C=C(F)CSC(C)CCC 62a_100000042424_100000766640 [0,2,0,0,0,0|1,0,1]=4 2696 B9R0.48 C=C(F)CSC(C)CCC 62a_100000766640_100000042424 [0,2,0,0,0,0|1,0,1]=4 2697 B9R0.48 C=C(F)CSC(C)CCO 62a_100000042424_100009893172 [0,2,0,0,0,0|1,0,1]=4 2698 B9R0.48 C=C(F)CSC(C)CCO 62a_100009893172_100000042424 [0,2,0,0,0,0|1,0,1]=4 2699 B9R0.48 C=C(F)CSC(C)COC 62a_100000042424_100000765312 [0,2,0,0,0,0|1,0,1]=4 2700 B9R0.48 C=C(F)CSC(C)COC 62a_100000765312_100000042424 [0,2,0,0,0,0|1,0,1]=4 2701 B9R0.48 C=CCC(=O)CCC(=C)C 1458a_100000210193_100000730704 [0,2,0,0,0,0|1,0,1]=4 2702 B9R0.48 C=CCC(=O)CCC(=C)C 1458a_200000688413_100000210623 [0,2,0,0,0,0|1,0,1]=4 2703 B9R0.48 C=CCC(=O)NCC(=C)C 11a_100000765925_100000210193 [0,2,0,0,0,0|1,0,1]=4 2704 B9R0.48 C=CCC(=O)NCC(=C)C 1626a_100000765925_100000210193 [0,2,0,0,0,0|1,0,1]=4 2705 B9R0.48 C=CCC(=O)NCC(=C)C 240690a_100000765925_100000210193 [0,2,0,0,0,0|1,0,1]=4 2706 B9R0.48 C=CCC(=O)NCC(=C)C 527a_100000765925_100000210193 [0,2,0,0,0,0|1,0,1]=4 2707 B9R0.48 CCCC(=O)CCC(=O)N 1458a_100011215257_100000210303 [0,2,0,0,0,0|2,0,0]=4 2708 B9R0.48 CCCC(=O)NCC(=O)N 11a_100000711301_100000211992 [0,2,0,0,0,0|2,0,0]=4 2709 B9R0.48 CCCC(=O)NCC(=O)N 240690a_100000711301_100000211992 [0,2,0,0,0,0|2,0,0]=4 2710 B9R0.48 CCCC(=O)NCC(=O)N 527a_100000711301_100000211992 [0,2,0,0,0,0|2,0,0]=4 2711 B9R0.48 CCCC(=O)OCC(=O)C 1458a_100000070787_100000034017 [0,2,0,0,0,0|0,1,1]=4 2712 B9R0.48 CCNC(=O)CCC(=O)C 1458a_100000199579_200000210301 [0,2,0,0,0,0|1,0,1]=4 2713 B9R0.48 CCNC(=O)CCC(=O)N 240690a_100015525214_100011215257 [0,2,0,0,0,0|2,0,0]=4 2714 B9R0.48 CCNC(=O)CCC(=O)N 527a_100015525214_100011215257 [0,2,0,0,0,0|2,0,0]=4 2715 B9R0.48 CCNC(=O)CCC(=O)[13CH3] 1458a_100000199579_200025704644 [0,2,0,0,0,0|1,0,1]=4 2716 B9R0.48 CCNC(=O)NCC(=O)N 2708a_100015525214_100000711301 [0,2,0,0,0,0|2,0,0]=4 2717 B9R0.48 CCNC(=O)NCC(=O)N 273464a_100000711301_100015525214 [0,2,0,0,0,0|2,0,0]=4 2718 B9R0.48 CCNC(=O)NCC(=O)N 273464a_100015525214_100000711301 [0,2,0,0,0,0|2,0,0]=4 2719 B9R0.48 CCNC(=O)NCC(=O)N 512a_100015525214_100000711301 [0,2,0,0,0,0|2,0,0]=4 2720 B9R0.48 CCOC(=O)CCC(=O)C 1458a_100000183558_200000210301 [0,2,0,0,0,0|1,0,1]=4 2721 B9R0.48 CCOC(=O)CCC(=O)[13CH3] 1458a_100000183558_200025704644 [0,2,0,0,0,0|1,0,1]=4 2722 B9R0.48 CCOC(=O)NCC(=O)C 1458a_100000190774_200000210301 [0,2,0,0,0,0|1,0,1]=4 2723 B9R0.48 CCOC(=O)NCC(=O)[13CH3] 1458a_100000190774_200025704644 [0,2,0,0,0,0|1,0,1]=4 2724 B9R0.48 CNCC(=O)NCC(=O)O 269956a_100000183575_200000210301 [0,2,0,0,0,0|2,0,0]=4 2725 B9R0.48 COCC(=O)NCC(=O)N 11a_100000711301_100000210968 [0,2,0,0,0,0|2,0,0]=4 2726 B9R0.48 COCC(=O)NCC(=O)N 240690a_100000711301_100000210968 [0,2,0,0,0,0|2,0,0]=4 2727 B9R0.48 COCC(=O)NCC(=O)N 527a_100000711301_100000210968 [0,2,0,0,0,0|2,0,0]=4 2728 B9R0.48 CSCC(=O)NCC(=O)N 11a_100000711301_100000184570 [0,2,0,0,0,0|2,0,0]=4 2729 B9R0.48 CSCC(=O)NCC(=O)N 240690a_100000711301_100000184570 [0,2,0,0,0,0|2,0,0]=4 2730 B9R0.48 CSCC(=O)NCC(=O)N 527a_100000711301_100000184570 [0,2,0,0,0,0|2,0,0]=4 2731 B9R0.48 NC(=O)CCC(=O)CCF 1458a_100011215257_100011217306 [0,2,0,0,0,0|2,0,0]=4 2732 B9R0.48 NC(=O)CCC(=O)CCO 1458a_100011215257_100000211926 [0,2,0,0,0,0|2,0,0]=4 2733 B9R0.48 NC(=O)CNC(=O)CCO 240690a_100000711301_100011216618 [0,2,0,0,0,0|2,0,0]=4 2734 B9R0.48 [13CH3]NCC(=O)NCC(=O)O 269956a_100000183575_200025704644 [0,2,0,0,0,0|2,0,0]=4 2735 B9R0.66 C=CCNS(=O)(=O)CCBr 270084a_100020586998_100000731045 [0,2,0,0,0,0|2,0,0]=4 2736 B9R0.66 C=CCNS(=O)(=O)CCBr 274078a_100020586998_100000731045 [0,2,0,0,0,0|2,0,0]=4 2737 B9R0.66 C=CCNS(=O)(=O)CCC 270084a_100020586998_100000211391 [0,2,0,0,0,0|2,0,0]=4 2738 B9R0.66 C=CCNS(=O)(=O)CCC 274078a_100020586998_100000211391 [0,2,0,0,0,0|2,0,0]=4 2739 B9R0.66 C=CCNS(=O)(=O)CCC 40a_100020586998_100000054278 [0,2,0,0,0,0|2,0,0]=4 2740 B9R0.66 C=CCNS(=O)(=O)CCCl 270084a_100020586998_100000184613 [0,2,0,0,0,0|2,0,0]=4 2741 B9R0.66 C=CCNS(=O)(=O)CCCl 274078a_100020586998_100000184613 [0,2,0,0,0,0|2,0,0]=4 2742 B9R0.6 C=CCC(=O)C(=O)N(C)C 1458a_100011218876_100000210623 [0,2,0,0,0,0|2,0,0]=4 2743 B9R0.6 C=CCC(C)C(=O)C(C)C 1458a_100011216819_100000210206 [0,2,0,0,0,0|1,0,0]=3 2744 B9R0.6 C=CCC(C)C(=O)N(C)C 11a_100102631434_100011216819 [0,2,0,0,0,0|2,0,0]=4 2745 B9R0.6 C=CCC(C)C(=O)N(C)C 1626a_100102631434_100011216819 [0,2,0,0,0,0|2,0,0]=4 2746 B9R0.6 C=CCC(C)C(=O)N(C)C 240690a_100102631434_100011216819 [0,2,0,0,0,0|2,0,0]=4 2747 B9R0.6 C=CCC(C)C(=O)N(C)C 527a_100102631434_100011216819 [0,2,0,0,0,0|2,0,0]=4 2748 B9R0.6 C=CCN(C)C(=O)C(=C)C 11a_100000225617_100000185857 [0,2,0,0,0,0|1,0,1]=4 2749 B9R0.6 C=CCN(C)C(=O)C(=C)C 1626a_100000225617_100000185857 [0,2,0,0,0,0|1,0,1]=4 2750 B9R0.6 C=CCN(C)C(=O)C(C)C 11a_100000225617_100000210198 [0,2,0,0,0,0|1,0,0]=3 2751 B9R0.6 C=CCN(C)C(=O)C(C)C 1626a_100000225617_100000210198 [0,2,0,0,0,0|1,0,0]=3 2752 B9R0.6 C=CCN(C)C(=O)C(C)C 240690a_100000225617_100000210198 [0,2,0,0,0,0|1,0,0]=3 2753 B9R0.6 C=CCN(C)C(=O)C(C)C 527a_100000225617_100000210198 [0,2,0,0,0,0|1,0,0]=3 2754 B9R0.6 C=CCN(C)C(=O)C(C)F 11a_100000225617_100000062450 [0,2,0,0,0,0|1,0,0]=3 2755 B9R0.6 C=CCN(C)C(=O)C(C)F 1626a_100000225617_100000062450 [0,2,0,0,0,0|1,0,0]=3 2756 B9R0.6 C=CCN(C)C(=O)C(C)F 240690a_100000225617_100000062450 [0,2,0,0,0,0|1,0,0]=3 2757 B9R0.6 C=CCN(C)C(=O)C(C)F 527a_100000225617_100000062450 [0,2,0,0,0,0|1,0,0]=3 2758 B9R0.6 C=CCN(C)C(=O)C(F)F 11a_100000225617_100000210393 [0,2,0,0,0,0|2,0,0]=4 2759 B9R0.6 C=CCN(C)C(=O)C(F)F 1626a_100000225617_100000210393 [0,2,0,0,0,0|2,0,0]=4 2760 B9R0.6 C=CCN(C)C(=O)C(F)F 240690a_100000225617_100000210393 [0,2,0,0,0,0|2,0,0]=4 2761 B9R0.6 C=CCN(C)C(=O)C(F)F 527a_100000225617_100000210393 [0,2,0,0,0,0|2,0,0]=4 2762 B9R0.6 C=CCN(C)C(=O)C(O)O 240690a_100000225617_100000233687 [0,2,0,0,0,0|2,0,0]=4 2763 B9R0.6 C=CCN(C)C(=O)[C@@H](C)O 240690a_100000225617_100000717761 [0,2,0,0,0,0|1,0,0]=3 2764 B9R0.6 C=CCN(C)C(=O)[C@H](C)O 1626a_100000225617_217856618621 [0,2,0,0,0,0|1,0,0]=3 2765 B9R0.6 C=CCN(C)C(=O)[C@H](C)O 240690a_100000225617_217856618621 [0,2,0,0,0,0|1,0,0]=3 2766 B9R0.19 C=CCN(C)S(=O)(=O)CC 270084a_100000225617_100000211323 [0,2,0,0,0,0|2,0,0]=4 2767 B9R0.19 C=CCN(C)S(=O)(=O)CC 274078a_100000225617_100000211323 [0,2,0,0,0,0|2,0,0]=4 2768 B9R0.23 C=C(C)CC(=O)C(=O)NC 1458a_100011218921_100000748629 [0,2,0,0,0,0|2,0,0]=4 2769 B9R0.23 C=C(C)CN(C)C(=O)CC 11a_100000225649_100000210414 [0,2,0,0,0,0|1,0,0]=3 2770 B9R0.23 C=C(C)CN(C)C(=O)CC 1626a_100000225649_100000210414 [0,2,0,0,0,0|1,0,0]=3 2771 B9R0.23 C=C(C)CN(C)C(=O)CC 527a_100000225649_100000210414 [0,2,0,0,0,0|1,0,0]=3 2772 B9R0.23 C=C(C)CN(C)C(=O)CO 527a_100000225649_100000210174 [0,2,0,0,0,0|2,0,0]=4 2773 B9R0.23 C=C(C)CN(C)C(=O)NC 2708a_100102657272_100000225649 [0,2,0,0,0,0|2,0,0]=4 2774 B9R0.23 C=C(C)CN(C)C(=O)NC 273464a_100102657272_100000225649 [0,2,0,0,0,0|2,0,0]=4 2775 B9R0.23 C=C(F)CC(=O)C(=O)NC 1458a_100011218921_100009893438 [0,2,0,0,0,0|2,0,0]=4 2776 B9R0.23 CCC(=O)N(C)CC(=O)N 11a_100000739694_100000210414 [0,2,0,0,0,0|2,0,0]=4 2777 B9R0.23 CCC(=O)N(C)CC(=O)N 527a_100000739694_100000210414 [0,2,0,0,0,0|2,0,0]=4 2778 B9R0.27 C=CC(=O)C(C)C(=O)CC 1458a_100000185746_100000742827 [0,2,0,0,0,0|1,0,1]=4 2779 B9R0.60 C=CCC(C)(C)C(=O)CC 1458a_100000705796_100000210202 [0,2,0,0,0,0|1,0,0]=3 2780 B9R0.60 C=CCC(C)(C)C(=O)CF 1458a_100000705796_100015361967 [0,2,0,0,0,0|2,0,0]=4 2781 B9R0.60 C=CCC(C)(C)C(=O)NC 11a_106832991635_100000705796 [0,2,0,0,0,0|2,0,0]=4 2782 B9R0.60 C=CCC(C)(C)C(=O)NC 1626a_100102657272_100000705796 [0,2,0,0,0,0|2,0,0]=4 2783 B9R0.60 C=CCC(C)(C)C(=O)NC 240690a_100102657272_100000705796 [0,2,0,0,0,0|2,0,0]=4 2784 B9R0.60 C=CCC(C)(C)C(=O)NC 527a_100102657272_100000705796 [0,2,0,0,0,0|2,0,0]=4 2785 B9R0.60 C=CCC(F)(F)C(=O)CC 1458a_100000062105_100000210202 [0,2,0,0,0,0|1,0,0]=3 2786 B9R0.60 C=CCC(F)(F)C(=O)CF 1458a_100000062105_100015361967 [0,2,0,0,0,0|2,0,0]=4 2787 B9R0.60 C=CCC(F)(F)C(=O)NC 11a_106832991635_100000062105 [0,2,0,0,0,0|2,0,0]=4 2788 B9R0.60 C=CCC(F)(F)C(=O)NC 1626a_100102657272_100000062105 [0,2,0,0,0,0|2,0,0]=4 2789 B9R0.60 C=CCC(F)(F)C(=O)NC 240690a_100102657272_100000062105 [0,2,0,0,0,0|2,0,0]=4 2790 B9R0.60 C=CCC(F)(F)C(=O)NC 527a_100102657272_100000062105 [0,2,0,0,0,0|2,0,0]=4 2791 B9R0.1 C=C(C)C=NNC(=O)CC 4a_100000183195_100000210575 [0,2,0,0,0,0|1,0,1]=4 2792 B9R0.1 C=C(C)CCSC(C)CC 62a_100000730704_100000758301 [0,2,0,0,0,0|1,0,1]=4 2793 B9R0.1 C=C(C)CCSC(C)CC 62a_100000758301_100000730704 [0,2,0,0,0,0|1,0,1]=4 2794 B9R0.1 C=C(C)CNCC(=O)NC 2230a_100000693194_100000748629 [0,2,0,0,0,0|2,0,0]=4 2795 B9R0.1 C=C(C)CNNC(=O)CC 22a_100000729518_100000210414 [0,2,0,0,0,0|1,0,0]=3 2796 B9R0.1 C=C(C)CNNC(=O)CO 22a_100000729518_100000210174 [0,2,0,0,0,0|2,0,0]=4 2797 B9R0.1 C=C(C)CNNC(=O)NC 273464a_100102657272_100000729518 [0,2,0,0,0,0|2,0,0]=4 2798 B9R0.1 C=C(C)CNNC(=O)NC 512a_100000729518_100102657272 [0,2,0,0,0,0|2,0,0]=4 2799 B9R0.1 C=C(C)CNNC(=O)NC 512a_106832991638_100000729518 [0,2,0,0,0,0|2,0,0]=4 2800 B9R0.1 C=C(C)COCC(=O)CC 34a_100000725409_100000748629 [0,2,0,0,0,0|0,1,0]=3 2801 B9R0.1 C=C(C)COCC(=O)NC 34a_100000210245_100000183359 [0,2,0,0,0,0|1,1,0]=4 2802 B9R0.1 C=C(C)COCC(=O)NC 34a_100000750040_100000748629 [0,2,0,0,0,0|1,1,0]=4 2803 B9R0.1 C=C(C)COCC(=O)OC 34a_100000210245_100000747449 [0,2,0,0,0,0|1,1,0]=4 2804 B9R0.1 C=C(C)CSCC(=O)CC 62a_100000747405_100000211660 [0,2,0,0,0,0|0,0,0]=2 2805 B9R0.1 C=C(C)CSCC(=O)CC 62a_100000748629_100000747405 [0,2,0,0,0,0|0,0,0]=2 2806 B9R0.1 C=C(C)CSCC(=O)NC 62a_100000183359_100000211660 [0,2,0,0,0,0|1,0,0]=3 2807 B9R0.1 C=C(C)CSCC(=O)NC 62a_100000748629_100000183359 [0,2,0,0,0,0|1,0,0]=3 2808 B9R0.1 C=C(C)CSCC(=O)OC 62a_100000747449_100000211660 [0,2,0,0,0,0|1,0,0]=3 2809 B9R0.1 C=C(C)CSCC(=O)OC 62a_100000748629_100000747449 [0,2,0,0,0,0|1,0,0]=3 2810 B9R0.1 C=C(C)CSCC(C)CC 62a_100000748023_100000211660 [0,2,0,0,0,0|1,0,1]=4 2811 B9R0.1 C=C(C)CSCC(C)CC 62a_100000748629_100000748023 [0,2,0,0,0,0|1,0,1]=4 2812 B9R0.1 C=C(C)CSCC(O)CC 62a_100000748629_100011218378 [0,2,0,0,0,0|0,0,2]=4 2813 B9R0.1 C=C(C)CSCC(O)CC 62a_100011218378_100000211660 [0,2,0,0,0,0|0,0,2]=4 2814 B9R0.1 C=C(C)CSC[C@@H](C)CC 62a_100000748629_100009816398 [0,2,0,0,0,0|1,0,1]=4 2815 B9R0.1 C=C(C)CSC[C@@H](C)CC 62a_100009816398_100000211660 [0,2,0,0,0,0|1,0,1]=4 2816 B9R0.1 C=C(F)CNCC(=O)NC 2230a_100000693194_100009893438 [0,2,0,0,0,0|2,0,0]=4 2817 B9R0.1 C=C(F)COCC(=O)CC 34a_100000725409_100009893438 [0,2,0,0,0,0|0,1,0]=3 2818 B9R0.1 C=C(F)COCC(=O)NC 34a_100000750040_100009893438 [0,2,0,0,0,0|1,1,0]=4 2819 B9R0.1 C=C(F)COCC(=O)NC 34a_200010262243_100000183359 [0,2,0,0,0,0|1,1,0]=4 2820 B9R0.1 C=C(F)COCC(=O)OC 34a_200010262243_100000747449 [0,2,0,0,0,0|1,1,0]=4 2821 B9R0.1 C=C(F)CSCC(=O)CC 62a_100000042424_100000747405 [0,2,0,0,0,0|0,0,0]=2 2822 B9R0.1 C=C(F)CSCC(=O)CC 62a_100000747405_100000042424 [0,2,0,0,0,0|0,0,0]=2 2823 B9R0.1 C=C(F)CSCC(=O)NC 62a_100000042424_100000183359 [0,2,0,0,0,0|1,0,0]=3 2824 B9R0.1 C=C(F)CSCC(=O)NC 62a_100000183359_100000042424 [0,2,0,0,0,0|1,0,0]=3 2825 B9R0.1 C=C(F)CSCC(=O)OC 62a_100000042424_100000747449 [0,2,0,0,0,0|1,0,0]=3 2826 B9R0.1 C=C(F)CSCC(=O)OC 62a_100000747449_100000042424 [0,2,0,0,0,0|1,0,0]=3 2827 B9R0.1 C=C(F)CSCC(C)CC 62a_100000042424_100000748023 [0,2,0,0,0,0|1,0,1]=4 2828 B9R0.1 C=C(F)CSCC(C)CC 62a_100000748023_100000042424 [0,2,0,0,0,0|1,0,1]=4 2829 B9R0.1 C=C(F)CSCC(O)CC 62a_100000042424_100011218378 [0,2,0,0,0,0|0,0,2]=4 2830 B9R0.1 C=C(F)CSCC(O)CC 62a_100011218378_100000042424 [0,2,0,0,0,0|0,0,2]=4 2831 B9R0.1 C=C(F)CSC[C@@H](C)CC 62a_100000042424_100009816398 [0,2,0,0,0,0|1,0,1]=4 2832 B9R0.1 C=C(F)CSC[C@@H](C)CC 62a_100009816398_100000042424 [0,2,0,0,0,0|1,0,1]=4 2833 B9R0.1 CC(=CCCC(=O)CO)C 1458a_100000210174_100011217483 [0,2,0,0,0,0|2,0,0]=4 2834 B9R0.1 CC(=CCNC(=O)CO)C 527a_100000718196_100000210174 [0,2,0,0,0,0|2,0,0]=4 2835 B9R0.1 CCC(=O)CCC=C(C)C 1458a_100000210414_100011217483 [0,2,0,0,0,0|1,0,0]=3 2836 B9R0.1 CCC(=O)CCC=C(F)F 1458a_100000210414_200009816681 [0,2,0,0,0,0|1,0,0]=3 2837 B9R0.1 CCC(=O)CCCC(=O)C 1458a_100000210414_100011215641 [0,2,0,0,0,0|1,0,1]=4 2838 B9R0.1 CCC(=O)CCCC(=O)N 1458a_100000210414_100102525003 [0,2,0,0,0,0|1,0,1]=4 2839 B9R0.1 CCC(=O)CCN=C(N)N 1458a_100000033030_100000210202 [0,2,0,0,0,0|2,0,0]=4 2840 B9R0.1 CCC(=O)CCNC(=O)C 1458a_100000183196_100000210202 [0,2,0,0,0,0|1,0,1]=4 2841 B9R0.1 CCC(=O)CCNC(=O)C 1458a_100000210414_100000189650 [0,2,0,0,0,0|1,0,1]=4 2842 B9R0.1 CCC(=O)CCNC(=O)N 1458a_100000181464_100000210202 [0,2,0,0,0,0|2,0,0]=4 2843 B9R0.1 CCC(=O)CCNC(=O)N 1458a_100000210414_200000034859 [0,2,0,0,0,0|2,0,0]=4 2844 B9R0.1 CCC(=O)CCOC(=O)C 1458a_100000210414_100009814007 [0,2,0,0,0,0|1,0,1]=4 2845 B9R0.1 CCC(=O)CCOC(=O)N 1458a_100000210414_200011214921 [0,2,0,0,0,0|2,0,0]=4 2846 B9R0.1 CCC(=O)CCSC(=O)C 1458a_100000048949_100000210202 [0,2,0,0,0,0|1,0,1]=4 2847 B9R0.1 CCC(=O)CNCC(=O)O 269956a_100016091260_100000747405 [0,2,0,0,0,0|2,0,0]=4 2848 B9R0.1 CCC(=O)COCC(=O)N 1458a_100011219004_100000210202 [0,2,0,0,0,0|1,1,0]=4 2849 B9R0.1 CCC(=O)COCC(=O)N 34a_100000725409_100000187820 [0,2,0,0,0,0|1,1,0]=4 2850 B9R0.1 CCC(=O)COCC(=O)[O-] 34a_100000725409_100020667443 [0,2,0,0,0,0|1,1,0]=4 2851 B9R0.1 CCC(=O)CSCC(=O)N 62a_100000747405_100000747473 [0,2,0,0,0,0|1,0,0]=3 2852 B9R0.1 CCC(=O)CSCC(=O)N 62a_100000747473_100000747405 [0,2,0,0,0,0|1,0,0]=3 2853 B9R0.1 CCC(=O)CSCC(=O)[O-] 62a_100000747405_100020667443 [0,2,0,0,0,0|1,0,0]=3 2854 B9R0.1 CCC(=O)CSCC(=O)[O-] 62a_100020667443_100000747405 [0,2,0,0,0,0|1,0,0]=3 2855 B9R0.1 CCC(=O)CSCC(C)C 62a_100000210624_100000747405 [0,2,0,0,0,0|0,0,2]=4 2856 B9R0.1 CCC(=O)CSCC(C)C 62a_100000747405_100000210760 [0,2,0,0,0,0|0,0,2]=4 2857 B9R0.1 CCC(=O)CSCC(C)O 62a_100000747405_100011218427 [0,2,0,0,0,0|0,0,2]=4 2858 B9R0.1 CCC(=O)CSCC(C)O 62a_100011218427_100000747405 [0,2,0,0,0,0|0,0,2]=4 2859 B9R0.1 CCC(=O)CSCC(F)F 62a_100000747405_100011934356 [0,2,0,0,0,0|1,0,1]=4 2860 B9R0.1 CCC(=O)CSCC(F)F 62a_100011934356_100000747405 [0,2,0,0,0,0|1,0,1]=4 2861 B9R0.1 CCC(=O)CSC[C@@H](C)O 62a_100000747405_100009817552 [0,2,0,0,0,0|0,0,2]=4 2862 B9R0.1 CCC(=O)CSC[C@@H](C)O 62a_100009817552_100000747405 [0,2,0,0,0,0|0,0,2]=4 2863 B9R0.1 CCC(=O)CSC[N+](=O)[O-] 62a_100000747405_100000761209 [0,2,0,0,0,0|2,0,0]=4 2864 B9R0.1 CCC(=O)NCC=C(C)C 11a_100000718196_100000210414 [0,2,0,0,0,0|1,0,0]=3 2865 B9R0.1 CCC(=O)NCC=C(C)C 1626a_100000718196_100000210414 [0,2,0,0,0,0|1,0,0]=3 2866 B9R0.1 CCC(=O)NCC=C(C)C 527a_100000718196_100000210414 [0,2,0,0,0,0|1,0,0]=3 2867 B9R0.1 CCC(=O)NCCC(=O)N 11a_100000740010_100000210414 [0,2,0,0,0,0|1,0,1]=4 2868 B9R0.1 CCC(=O)NCCC(=O)N 240690a_100000740010_100000210414 [0,2,0,0,0,0|1,0,1]=4 2869 B9R0.1 CCC(=O)NCCC(=O)N 527a_100000740010_100000210414 [0,2,0,0,0,0|1,0,1]=4 2870 B9R0.1 CCC(C)SCC=C(C)C 62a_100000758301_100000761012 [0,2,0,0,0,0|1,0,1]=4 2871 B9R0.1 CCC(C)SCC=C(C)C 62a_100000761012_100000758301 [0,2,0,0,0,0|1,0,1]=4 2872 B9R0.1 CNC(=O)CSCC(=O)N 11a_106832991635_100000150265 [0,2,0,0,0,0|2,0,0]=4 2873 B9R0.1 CNC(=O)CSCC(=O)N 240690a_100102657272_100000150265 [0,2,0,0,0,0|2,0,0]=4 2874 B9R0.1 CNC(=O)CSCC(=O)N 527a_100102657272_100000150265 [0,2,0,0,0,0|2,0,0]=4 2875 B9R0.1 CNC(=O)CSCC(=O)N 62a_100000183359_100000747473 [0,2,0,0,0,0|2,0,0]=4 2876 B9R0.1 CNC(=O)CSCC(=O)N 62a_100000747473_100000183359 [0,2,0,0,0,0|2,0,0]=4 2877 B9R0.1 CNC(=O)CSCC(=O)[O-] 62a_100000183359_100020667443 [0,2,0,0,0,0|2,0,0]=4 2878 B9R0.1 CNC(=O)CSCC(=O)[O-] 62a_100020667443_100000183359 [0,2,0,0,0,0|2,0,0]=4 2879 B9R0.1 CNC(=O)NCC=C(C)C 2708a_100000718196_106832991635 [0,2,0,0,0,0|2,0,0]=4 2880 B9R0.1 CNC(=O)NCC=C(C)C 2708a_100102657272_100000718196 [0,2,0,0,0,0|2,0,0]=4 2881 B9R0.1 CNC(=O)NCC=C(C)C 273464a_100000718196_100102657272 [0,2,0,0,0,0|2,0,0]=4 2882 B9R0.1 CNC(=O)NCC=C(C)C 273464a_100102657272_100000718196 [0,2,0,0,0,0|2,0,0]=4 2883 B9R0.1 CNC(=O)NCC=C(C)C 512a_100000718196_100102657272 [0,2,0,0,0,0|2,0,0]=4 2884 B9R0.1 CNC(=O)NCC=C(C)C 512a_106832991638_100000718196 [0,2,0,0,0,0|2,0,0]=4 2885 B9R0.1 COC(=O)CSCC(=O)C 1458a_100000191316_200000210301 [0,2,0,0,0,0|1,0,1]=4 2886 B9R0.1 COC(=O)CSCC(=O)N 62a_100000747449_100000747473 [0,2,0,0,0,0|2,0,0]=4 2887 B9R0.1 COC(=O)CSCC(=O)N 62a_100000747473_100000747449 [0,2,0,0,0,0|2,0,0]=4 2888 B9R0.1 COC(=O)CSCC(=O)[13CH3] 1458a_100000191316_200025704644 [0,2,0,0,0,0|1,0,1]=4 2889 B9R0.1 COC(=O)CSCC(=O)[O-] 62a_100000747449_100020667443 [0,2,0,0,0,0|2,0,0]=4 2890 B9R0.1 COC(=O)CSCC(=O)[O-] 62a_100020667443_100000747449 [0,2,0,0,0,0|2,0,0]=4 2891 B9R0.1 O=C(CO)CCC=C(F)F 1458a_100000210174_200009816681 [0,2,0,0,0,0|2,0,0]=4 2892 B9R0.20 C/C=C/CSC(C)(C)CC 62a_100000032637_100102629194 [0,2,0,0,0,0|1,0,1]=4 2893 B9R0.20 C/C=C/CSC(C)(C)CC 62a_100102629194_100000032637 [0,2,0,0,0,0|1,0,1]=4 2894 B9R0.20 C=CCCNS(=O)(=O)CC 270084a_100015191253_100000211323 [0,2,0,0,0,0|2,0,0]=4 2895 B9R0.20 C=CCCNS(=O)(=O)CC 274078a_100015191253_100000211323 [0,2,0,0,0,0|2,0,0]=4 2896 B9R0.20 C=CCCNS(=O)(=O)CC 40a_100015191253_100000053943 [0,2,0,0,0,0|2,0,0]=4 2897 B9R0.20 C=CCCSC(C)(C)CC 62a_100000032637_100000754431 [0,2,0,0,0,0|1,0,1]=4 2898 B9R0.20 C=CCCSC(C)(C)CC 62a_100000754431_100000032637 [0,2,0,0,0,0|1,0,1]=4 2899 B9R0.20 CC=CCSC(C)(C)CC 62a_100000032637_100000070051 [0,2,0,0,0,0|1,0,1]=4 2900 B9R0.20 CC=CCSC(C)(C)CC 62a_100000070051_100000032637 [0,2,0,0,0,0|1,0,1]=4 2901 B9R0.24 C#CC(C)SCC(=O)CC 62a_200000035995_100000747405 [0,2,0,0,0,0|0,0,2]=4 2902 B9R0.24 C=C(C#N)CSC(C)CC 62a_100000758301_100000694840 [0,2,0,0,0,0|1,0,1]=4 2903 B9R0.24 C=CC(=NNC(=O)CC)C 4a_100000183195_200015361842 [0,2,0,0,0,0|1,0,1]=4 2904 B9R0.24 C=CC(=O)NCC(=O)CC 1458a_200011222540_100000210202 [0,2,0,0,0,0|1,0,1]=4 2905 B9R0.24 C=CC(=O)NNC(=O)CC 22a_100000183195_100000185746 [0,2,0,0,0,0|1,0,1]=4 2906 B9R0.24 C=CC(C)OCC(=O)NC 34a_100000695699_100000183359 [0,2,0,0,0,0|1,1,0]=4 2907 B9R0.24 C=CC(C)OCC(=O)OC 34a_100000695699_100000747449 [0,2,0,0,0,0|1,1,0]=4 2908 B9R0.24 C=CC(C)SCC(=O)CC 62a_100011215867_100000747405 [0,2,0,0,0,0|0,0,0]=2 2909 B9R0.24 C=CC(C)SCC(=O)NC 62a_100011215867_100000183359 [0,2,0,0,0,0|1,0,0]=3 2910 B9R0.24 C=CC(C)SCC(=O)OC 62a_100011215867_100000747449 [0,2,0,0,0,0|1,0,0]=3 2911 B9R0.24 C=CC(C)SCC(C)CC 62a_100011215867_100000748023 [0,2,0,0,0,0|1,0,1]=4 2912 B9R0.24 C=CC(C)SCC(O)CC 62a_100011215867_100011218378 [0,2,0,0,0,0|0,0,2]=4 2913 B9R0.24 C=CC(C)SC[C@@H](C)CC 62a_100011215867_100009816398 [0,2,0,0,0,0|1,0,1]=4 2914 B9R0.24 C=CC(O)CSC(C)CC 62a_100000730141_100000758301 [0,2,0,0,0,0|1,0,1]=4 2915 B9R0.24 C=CC(O)CSC(C)CC 62a_100000758301_100000730141 [0,2,0,0,0,0|1,0,1]=4 2916 B9R0.24 CC=C(C)C=CC(=O)CC 1458a_100000692105_100000210202 [0,2,0,0,0,0|1,0,1]=4 2917 B9R0.24 CCC(=O)CCC(=O)NC 1458a_100011309844_100000210202 [0,2,0,0,0,0|1,0,1]=4 2918 B9R0.24 CCC(=O)CCC(=O)OC 1458a_100000187943_100000210202 [0,2,0,0,0,0|1,0,1]=4 2919 B9R0.24 CCC(=O)CNC(=O)CC 1458a_100000194589_100000210202 [0,2,0,0,0,0|1,0,1]=4 2920 B9R0.24 CCC(=O)CSC(C)C#N 62a_100000703298_100000747405 [0,2,0,0,0,0|1,0,1]=4 2921 B9R0.24 CCC(=O)CSC(C)C#N 62a_100000747405_100000703298 [0,2,0,0,0,0|1,0,1]=4 2922 B9R0.24 CCC(=O)CSC(C)CC 62a_100000747405_100000758301 [0,2,0,0,0,0|0,0,2]=4 2923 B9R0.24 CCC(=O)CSC(C)CC 62a_100000758301_100000747405 [0,2,0,0,0,0|0,0,2]=4 2924 B9R0.24 CCC(=O)CSC(C)CO 62a_100012180447_100000747405 [0,2,0,0,0,0|1,0,1]=4 2925 B9R0.24 CCC(=O)CSC(C)OC 62a_100000747405_100009879195 [0,2,0,0,0,0|1,0,1]=4 2926 B9R0.24 CCC(=O)CSC(C)OC 62a_100009879195_100000747405 [0,2,0,0,0,0|1,0,1]=4 2927 B9R0.24 CCC(=O)CSC(F)C#N 62a_100000747405_200000117898 [0,2,0,0,0,0|1,0,1]=4 2928 B9R0.24 CCC(=O)CSC(F)C#N 62a_200000117898_100000747405 [0,2,0,0,0,0|1,0,1]=4 2929 B9R0.24 CCC(=O)CS[C@H](C)CO 62a_100000747405_100016084084 [0,2,0,0,0,0|1,0,1]=4 2930 B9R0.24 CCC(=O)CS[C@H](C)CO 62a_100016084084_100000747405 [0,2,0,0,0,0|1,0,1]=4 2931 B9R0.24 CCC(=O)NCC(=O)CF 1458a_100000194589_100015361967 [0,2,0,0,0,0|1,0,1]=4 2932 B9R0.24 CCC(=O)NCC(=O)NC 11a_100000693194_100000210414 [0,2,0,0,0,0|1,0,1]=4 2933 B9R0.24 CCC(=O)NCC(=O)NC 11a_106832991635_100000194589 [0,2,0,0,0,0|1,0,1]=4 2934 B9R0.24 CCC(=O)NCC(=O)NC 1626a_100102657272_100000194589 [0,2,0,0,0,0|1,0,1]=4 2935 B9R0.24 CCC(=O)NCC(=O)NC 240690a_100000693194_100000210414 [0,2,0,0,0,0|1,0,1]=4 2936 B9R0.24 CCC(=O)NCC(=O)NC 240690a_100102657272_100000194589 [0,2,0,0,0,0|1,0,1]=4 2937 B9R0.24 CCC(=O)NCC(=O)NC 527a_100000693194_100000210414 [0,2,0,0,0,0|1,0,1]=4 2938 B9R0.24 CCC(=O)NCC(=O)NC 527a_100102657272_100000194589 [0,2,0,0,0,0|1,0,1]=4 2939 B9R0.24 CCC(=O)NCC(=O)OC 188690a_100000185156_100000210414 [0,2,0,0,0,0|1,0,1]=4 2940 B9R0.46 C#CCCSCC(=O)CC 62a_100000688953_100000747405 [0,2,0,0,0,0|0,0,2]=4 2941 B9R0.46 C#CCCSCC(=O)CC 62a_100000747405_100000688953 [0,2,0,0,0,0|0,0,2]=4 2942 B9R0.46 C/C=C/COCC(=O)CC 34a_100000725409_100102629194 [0,2,0,0,0,0|0,1,0]=3 2943 B9R0.46 C/C=C/COCC(=O)NC 34a_100000750040_100102629194 [0,2,0,0,0,0|1,1,0]=4 2944 B9R0.46 C/C=C/COCC(=O)NC 34a_100016270725_100000183359 [0,2,0,0,0,0|1,1,0]=4 2945 B9R0.46 C/C=C/COCC(=O)OC 34a_100016270725_100000747449 [0,2,0,0,0,0|1,1,0]=4 2946 B9R0.46 C/C=C/CSCC(=O)CC 62a_100000747405_100102629194 [0,2,0,0,0,0|0,0,0]=2 2947 B9R0.46 C/C=C/CSCC(=O)CC 62a_100102629194_100000747405 [0,2,0,0,0,0|0,0,0]=2 2948 B9R0.46 C/C=C/CSCC(=O)NC 62a_100000183359_100102629194 [0,2,0,0,0,0|1,0,0]=3 2949 B9R0.46 C/C=C/CSCC(=O)NC 62a_100102629194_100000183359 [0,2,0,0,0,0|1,0,0]=3 2950 B9R0.46 C/C=C/CSCC(=O)OC 62a_100000747449_100102629194 [0,2,0,0,0,0|1,0,0]=3 2951 B9R0.46 C/C=C/CSCC(=O)OC 62a_100102629194_100000747449 [0,2,0,0,0,0|1,0,0]=3 2952 B9R0.46 C/C=C/CSCC(C)CC 62a_100000748023_100102629194 [0,2,0,0,0,0|1,0,1]=4 2953 B9R0.46 C/C=C/CSCC(C)CC 62a_100102629194_100000748023 [0,2,0,0,0,0|1,0,1]=4 2954 B9R0.46 C/C=C/CSCC(O)CC 62a_100011218378_100102629194 [0,2,0,0,0,0|0,0,2]=4 2955 B9R0.46 C/C=C/CSCC(O)CC 62a_100102629194_100011218378 [0,2,0,0,0,0|0,0,2]=4 2956 B9R0.46 C/C=C/CSC[C@@H](C)CC 62a_100009816398_100102629194 [0,2,0,0,0,0|1,0,1]=4 2957 B9R0.46 C/C=C/CSC[C@@H](C)CC 62a_100102629194_100009816398 [0,2,0,0,0,0|1,0,1]=4 2958 B9R0.46 C=CCCCCC(=O)CC 1458a_100000210414_100011215482 [0,2,0,0,0,0|1,0,0]=3 2959 B9R0.46 C=CCCCCC(=O)CC 1458a_100011215552_100000210202 [0,2,0,0,0,0|1,0,0]=3 2960 B9R0.46 C=CCCCCC(=O)CF 1458a_100011215552_100015361967 [0,2,0,0,0,0|2,0,0]=4 2961 B9R0.46 C=CCCCCC(=O)CO 1458a_100000210174_100011215482 [0,2,0,0,0,0|2,0,0]=4 2962 B9R0.46 C=CCCCCC(=O)NC 11a_106832991635_100011215552 [0,2,0,0,0,0|2,0,0]=4 2963 B9R0.46 C=CCCCCC(=O)NC 1626a_100102657272_100011215552 [0,2,0,0,0,0|2,0,0]=4 2964 B9R0.46 C=CCCCCC(=O)NC 240690a_100102657272_100011215552 [0,2,0,0,0,0|2,0,0]=4 2965 B9R0.46 C=CCCCCC(=O)NC 527a_100102657272_100011215552 [0,2,0,0,0,0|2,0,0]=4 2966 B9R0.46 C=CCCCNC(=O)CC 11a_100000700776_100000210414 [0,2,0,0,0,0|1,0,0]=3 2967 B9R0.46 C=CCCCNC(=O)CC 1626a_100000700776_100000210414 [0,2,0,0,0,0|1,0,0]=3 2968 B9R0.46 C=CCCCNC(=O)CC 240690a_100000700776_100000210414 [0,2,0,0,0,0|1,0,0]=3 2969 B9R0.46 C=CCCCNC(=O)CC 527a_100000700776_100000210414 [0,2,0,0,0,0|1,0,0]=3 2970 B9R0.46 C=CCCCNC(=O)CO 240690a_100000700776_100000210174 [0,2,0,0,0,0|2,0,0]=4 2971 B9R0.46 C=CCCCNC(=O)CO 527a_100000700776_100000210174 [0,2,0,0,0,0|2,0,0]=4 2972 B9R0.46 C=CCCCNC(=O)NC 2708a_100000700776_106832991635 [0,2,0,0,0,0|2,0,0]=4 2973 B9R0.46 C=CCCCNC(=O)NC 2708a_100102657272_100000700776 [0,2,0,0,0,0|2,0,0]=4 2974 B9R0.46 C=CCCCNC(=O)NC 273464a_100000700776_100102657272 [0,2,0,0,0,0|2,0,0]=4 2975 B9R0.46 C=CCCCNC(=O)NC 273464a_100102657272_100000700776 [0,2,0,0,0,0|2,0,0]=4 2976 B9R0.46 C=CCCCNC(=O)NC 512a_100000700776_100102657272 [0,2,0,0,0,0|2,0,0]=4 2977 B9R0.46 C=CCCCNC(=O)NC 512a_106832991638_100000700776 [0,2,0,0,0,0|2,0,0]=4 2978 B9R0.46 C=CCCCSC(C)CC 62a_100000758301_100000757094 [0,2,0,0,0,0|1,0,1]=4 2979 B9R0.46 C=CCCCSC(C)CC 62a_100011713584_100000758301 [0,2,0,0,0,0|1,0,1]=4 2980 B9R0.46 C=CCCNCC(=O)NC 2230a_100000693194_100000754431 [0,2,0,0,0,0|2,0,0]=4 2981 B9R0.46 C=CCCNCC(=O)NC 2230a_100015191253_100000183359 [0,2,0,0,0,0|2,0,0]=4 2982 B9R0.46 C=CCCNCC(=O)OC 2230a_100015191253_100000747449 [0,2,0,0,0,0|2,0,0]=4 2983 B9R0.46 C=CCCOCC(=O)CC 34a_100000725409_100000754431 [0,2,0,0,0,0|0,1,0]=3 2984 B9R0.46 C=CCCOCC(=O)NC 34a_100000750040_100000754431 [0,2,0,0,0,0|1,1,0]=4 2985 B9R0.46 C=CCCOCC(=O)NC 34a_100011205117_100000183359 [0,2,0,0,0,0|1,1,0]=4 2986 B9R0.46 C=CCCOCC(=O)OC 34a_100011205117_100000747449 [0,2,0,0,0,0|1,1,0]=4 2987 B9R0.46 C=CCCSCC(=O)CC 62a_100000747405_100000754431 [0,2,0,0,0,0|0,0,0]=2 2988 B9R0.46 C=CCCSCC(=O)CC 62a_100000754431_100000747405 [0,2,0,0,0,0|0,0,0]=2 2989 B9R0.46 C=CCCSCC(=O)NC 62a_100000183359_100000754431 [0,2,0,0,0,0|1,0,0]=3 2990 B9R0.46 C=CCCSCC(=O)NC 62a_100000754431_100000183359 [0,2,0,0,0,0|1,0,0]=3 2991 B9R0.46 C=CCCSCC(=O)OC 62a_100000747449_100000754431 [0,2,0,0,0,0|1,0,0]=3 2992 B9R0.46 C=CCCSCC(=O)OC 62a_100000754431_100000747449 [0,2,0,0,0,0|1,0,0]=3 2993 B9R0.46 C=CCCSCC(C)CC 62a_100000748023_100000754431 [0,2,0,0,0,0|1,0,1]=4 2994 B9R0.46 C=CCCSCC(C)CC 62a_100000754431_100000748023 [0,2,0,0,0,0|1,0,1]=4 2995 B9R0.46 C=CCCSCC(O)CC 62a_100000754431_100011218378 [0,2,0,0,0,0|0,0,2]=4 2996 B9R0.46 C=CCCSCC(O)CC 62a_100011218378_100000754431 [0,2,0,0,0,0|0,0,2]=4 2997 B9R0.46 C=CCCSC[C@@H](C)CC 62a_100000754431_100009816398 [0,2,0,0,0,0|1,0,1]=4 2998 B9R0.46 C=CCCSC[C@@H](C)CC 62a_100009816398_100000754431 [0,2,0,0,0,0|1,0,1]=4 2999 B9R0.46 C=CCNCCC(=O)NC 2230a_100000738227_100000210623 [0,2,0,0,0,0|2,0,0]=4 3000 B9R0.46 C=CCNCCC(=O)NC 2230a_100020586998_100000737683 [0,2,0,0,0,0|2,0,0]=4 3001 B9R0.46 C=CCNCCC(=O)NC 34a_100000738227_100015514636 [0,2,0,0,0,0|2,0,0]=4 3002 B9R0.46 C=CCNCCC(=O)OC 2230a_100020586998_100000204255 [0,2,0,0,0,0|2,0,0]=4 3003 B9R0.46 C=CCOCCC(=O)CC 1458a_200011217002_100000210202 [0,2,0,0,0,0|0,1,0]=3 3004 B9R0.46 C=CCOCCC(=O)CF 1458a_200011217002_100015361967 [0,2,0,0,0,0|1,1,0]=4 3005 B9R0.46 C=CCOCCC(=O)NC 11a_106832991635_200011217002 [0,2,0,0,0,0|1,1,0]=4 3006 B9R0.46 C=CCOCCC(=O)NC 1626a_100102657272_200011217002 [0,2,0,0,0,0|1,1,0]=4 3007 B9R0.46 C=CCOCCC(=O)NC 240690a_100102657272_200011217002 [0,2,0,0,0,0|1,1,0]=4 3008 B9R0.46 C=CCOCCC(=O)NC 34a_100000754576_100015514636 [0,2,0,0,0,0|1,1,0]=4 3009 B9R0.46 C=CCOCCC(=O)NC 34a_200000210373_100012179268 [0,2,0,0,0,0|1,1,0]=4 3010 B9R0.46 C=CCOCCC(=O)NC 527a_100102657272_200011217002 [0,2,0,0,0,0|1,1,0]=4 3011 B9R0.46 C=CCOCCC(=O)OC 34a_200000210373_100000742370 [0,2,0,0,0,0|1,1,0]=4 3012 B9R0.46 C=CCSCCC(=O)NC 62a_100000210623_100000737683 [0,2,0,0,0,0|1,0,0]=3 3013 B9R0.46 C=CCSCCC(=O)NC 62a_100000737683_100000210623 [0,2,0,0,0,0|1,0,0]=3 3014 B9R0.46 C=CCSCCC(=O)OC 62a_100000204255_100000210623 [0,2,0,0,0,0|1,0,0]=3 3015 B9R0.46 C=CCSCCC(=O)OC 62a_100000210623_100000204255 [0,2,0,0,0,0|1,0,0]=3 3016 B9R0.46 C=CCSCOC(=O)OC 62a_100000210623_100000139417 [0,2,0,0,0,0|1,0,0]=3 3017 B9R0.46 C=COCCSC(C)CC 62a_100000039644_100000758301 [0,2,0,0,0,0|1,0,1]=4 3018 B9R0.46 C=COCCSC(C)CC 62a_100000758301_100000039644 [0,2,0,0,0,0|1,0,1]=4 3019 B9R0.46 CC#CCSCC(=O)CC 62a_100000747405_100000748600 [0,2,0,0,0,0|0,0,2]=4 3020 B9R0.46 CC#CCSCC(=O)CC 62a_100000748600_100000747405 [0,2,0,0,0,0|0,0,2]=4 3021 B9R0.46 CC/C=C\CCC(=O)CC 1458a_100000210414_100015370543 [0,2,0,0,0,0|1,0,0]=3 3022 B9R0.46 CC/C=C\CCC(=O)CO 1458a_100000210174_100015370543 [0,2,0,0,0,0|2,0,0]=4 3023 B9R0.46 CC/C=C\CSC(C)CC 62a_100000758301_100103147603 [0,2,0,0,0,0|1,0,1]=4 3024 B9R0.46 CC/C=C\CSC(C)CC 62a_100103147603_100000758301 [0,2,0,0,0,0|1,0,1]=4 3025 B9R0.46 CC=CCNCC(=O)NC 2230a_100000693194_100000070051 [0,2,0,0,0,0|2,0,0]=4 3026 B9R0.46 CC=CCOCC(=O)CC 34a_100000725409_100000070051 [0,2,0,0,0,0|0,1,0]=3 3027 B9R0.46 CC=CCOCC(=O)NC 34a_100000750040_100000070051 [0,2,0,0,0,0|1,1,0]=4 3028 B9R0.46 CC=CCSCC(=O)CC 62a_100000070051_100000747405 [0,2,0,0,0,0|0,0,0]=2 3029 B9R0.46 CC=CCSCC(=O)CC 62a_100000747405_100000070051 [0,2,0,0,0,0|0,0,0]=2 3030 B9R0.46 CC=CCSCC(=O)NC 62a_100000070051_100000183359 [0,2,0,0,0,0|1,0,0]=3 3031 B9R0.46 CC=CCSCC(=O)NC 62a_100000183359_100000070051 [0,2,0,0,0,0|1,0,0]=3 3032 B9R0.46 CC=CCSCC(=O)OC 62a_100000070051_100000747449 [0,2,0,0,0,0|1,0,0]=3 3033 B9R0.46 CC=CCSCC(=O)OC 62a_100000747449_100000070051 [0,2,0,0,0,0|1,0,0]=3 3034 B9R0.46 CC=CCSCC(C)CC 62a_100000070051_100000748023 [0,2,0,0,0,0|1,0,1]=4 3035 B9R0.46 CC=CCSCC(C)CC 62a_100000748023_100000070051 [0,2,0,0,0,0|1,0,1]=4 3036 B9R0.46 CC=CCSCC(O)CC 62a_100000070051_100011218378 [0,2,0,0,0,0|0,0,2]=4 3037 B9R0.46 CC=CCSCC(O)CC 62a_100011218378_100000070051 [0,2,0,0,0,0|0,0,2]=4 3038 B9R0.46 CC=CCSC[C@@H](C)CC 62a_100000070051_100009816398 [0,2,0,0,0,0|1,0,1]=4 3039 B9R0.46 CC=CCSC[C@@H](C)CC 62a_100009816398_100000070051 [0,2,0,0,0,0|1,0,1]=4 3040 B9R0.46 CCC(=O)CSCCC#N 62a_100000747405_100011215226 [0,2,0,0,0,0|0,0,2]=4 3041 B9R0.46 CCC(=O)CSCCC#N 62a_100011215226_100000747405 [0,2,0,0,0,0|0,0,2]=4 3042 B9R0.46 CCC(=O)CSCCCF 62a_100000747405_100011934791 [0,2,0,0,0,0|0,0,2]=4 3043 B9R0.46 CCC(=O)CSCCCF 62a_100011934791_100000747405 [0,2,0,0,0,0|0,0,2]=4 3044 B9R0.46 CCC(=O)CSCCCO 62a_100000747405_100011215043 [0,2,0,0,0,0|0,0,2]=4 3045 B9R0.46 CCC(=O)CSCCCO 62a_100011215043_100000747405 [0,2,0,0,0,0|0,0,2]=4 3046 B9R0.46 CCC(=O)CSCCOC 62a_100000233755_100000747405 [0,2,0,0,0,0|0,0,2]=4 3047 B9R0.46 CCC(=O)CSCCOC 62a_100000747405_100000233755 [0,2,0,0,0,0|0,0,2]=4 3048 B9R0.46 CCC(=O)CSCCSC 62a_100000212216_100000747405 [0,2,0,0,0,0|0,0,2]=4 3049 B9R0.46 CCC(=O)CSCCSC 62a_100000747405_100000751147 [0,2,0,0,0,0|0,0,2]=4 3050 B9R0.46 CCC(=O)CSCSC#N 62a_100000211825_100000747405 [0,2,0,0,0,0|1,0,1]=4 3051 B9R0.46 CCC(=O)CSCSC#N 62a_100000747405_100000211825 [0,2,0,0,0,0|1,0,1]=4 3052 B9R0.46 CCCCSCC(=O)CC 1458a_100000191162_100000210202 [0,2,0,0,0,0|0,0,2]=4 3053 B9R0.46 CCCCSCC(=O)CC 62a_100000210211_100000747405 [0,2,0,0,0,0|0,0,2]=4 3054 B9R0.46 CCCCSCC(=O)CC 62a_100000747405_100000210210 [0,2,0,0,0,0|0,0,2]=4 3055 B9R0.46 CCOCSCC(=O)CC 62a_100000739092_100000747405 [0,2,0,0,0,0|0,0,2]=4 3056 B9R0.46 CCOCSCC(=O)CC 62a_100000747405_100000739092 [0,2,0,0,0,0|0,0,2]=4 3057 B9R0.46 CNC(=O)CCSCC=O 62a_100000737683_200015260668 [0,2,0,0,0,0|2,0,0]=4 3058 B9R0.46 CNC(=O)CCSCC=O 62a_200015260668_100000737683 [0,2,0,0,0,0|2,0,0]=4 3059 B9R0.46 COC(=O)CCSCC=O 62a_100000204255_200015260668 [0,2,0,0,0,0|2,0,0]=4 3060 B9R0.46 COC(=O)CCSCC=O 62a_200015260668_100000204255 [0,2,0,0,0,0|2,0,0]=4 3061 B9R0.46 COC(=O)OCSCC=O 62a_200015260668_100000139417 [0,2,0,0,0,0|2,0,0]=4 3062 B9R0.47 C#CCSCC(=O)C(C)C 62a_100000038162_100000753385 [0,2,0,0,0,0|0,0,2]=4 3063 B9R0.47 C/C=C/C=CC(=O)C(C)C 1458a_100000185730_100000210206 [0,2,0,0,0,0|1,0,1]=4 3064 B9R0.47 C=CCCCC(=O)C(=C)C 1458a_100000185857_100000757094 [0,2,0,0,0,0|1,0,1]=4 3065 B9R0.47 C=CCCCC(=O)C(C)C 1458a_100000210198_100000757094 [0,2,0,0,0,0|1,0,0]=3 3066 B9R0.47 C=CCCCC(=O)C(C)C 1458a_100000766728_100000210206 [0,2,0,0,0,0|1,0,0]=3 3067 B9R0.47 C=CCCCC(=O)C(C)F 1458a_100000062450_100000757094 [0,2,0,0,0,0|1,0,0]=3 3068 B9R0.47 C=CCCCC(=O)C(O)O 1458a_100000233687_100000757094 [0,2,0,0,0,0|2,0,0]=4 3069 B9R0.47 C=CCCCC(=O)N(C)C 11a_100102631434_100000766728 [0,2,0,0,0,0|2,0,0]=4 3070 B9R0.47 C=CCCCC(=O)N(C)C 1626a_100102631434_100000766728 [0,2,0,0,0,0|2,0,0]=4 3071 B9R0.47 C=CCCCC(=O)N(C)C 240690a_100102631434_100000766728 [0,2,0,0,0,0|2,0,0]=4 3072 B9R0.47 C=CCCCC(=O)N(C)C 527a_100102631434_100000766728 [0,2,0,0,0,0|2,0,0]=4 3073 B9R0.47 C=CCCCC(=O)[C@@H](C)O 1458a_100000717761_100000757094 [0,2,0,0,0,0|1,0,0]=3 3074 B9R0.47 C=CCCCC(=O)[C@H](C)O 1458a_217856618621_100000757094 [0,2,0,0,0,0|1,0,0]=3 3075 B9R0.47 C=CCCNC(=O)C(=C)C 11a_100015191253_100000185857 [0,2,0,0,0,0|1,0,1]=4 3076 B9R0.47 C=CCCNC(=O)C(=C)C 1626a_100015191253_100000185857 [0,2,0,0,0,0|1,0,1]=4 3077 B9R0.47 C=CCCNC(=O)C(C)C 11a_100015191253_100000210198 [0,2,0,0,0,0|1,0,0]=3 3078 B9R0.47 C=CCCNC(=O)C(C)C 1626a_100015191253_100000210198 [0,2,0,0,0,0|1,0,0]=3 3079 B9R0.47 C=CCCNC(=O)C(C)C 240690a_100015191253_100000210198 [0,2,0,0,0,0|1,0,0]=3 3080 B9R0.47 C=CCCNC(=O)C(C)C 527a_100015191253_100000210198 [0,2,0,0,0,0|1,0,0]=3 3081 B9R0.47 C=CCCNC(=O)C(C)F 11a_100015191253_100000062450 [0,2,0,0,0,0|1,0,0]=3 3082 B9R0.47 C=CCCNC(=O)C(C)F 1626a_100015191253_100000062450 [0,2,0,0,0,0|1,0,0]=3 3083 B9R0.47 C=CCCNC(=O)C(C)F 240690a_100015191253_100000062450 [0,2,0,0,0,0|1,0,0]=3 3084 B9R0.47 C=CCCNC(=O)C(C)F 527a_100015191253_100000062450 [0,2,0,0,0,0|1,0,0]=3 3085 B9R0.47 C=CCCNC(=O)C(F)F 11a_100015191253_100000210393 [0,2,0,0,0,0|2,0,0]=4 3086 B9R0.47 C=CCCNC(=O)C(F)F 1626a_100015191253_100000210393 [0,2,0,0,0,0|2,0,0]=4 3087 B9R0.47 C=CCCNC(=O)C(F)F 240690a_100015191253_100000210393 [0,2,0,0,0,0|2,0,0]=4 3088 B9R0.47 C=CCCNC(=O)C(F)F 527a_100015191253_100000210393 [0,2,0,0,0,0|2,0,0]=4 3089 B9R0.47 C=CCCNC(=O)C(O)O 240690a_100015191253_100000233687 [0,2,0,0,0,0|2,0,0]=4 3090 B9R0.47 C=CCCNC(=O)N(C)C 2708a_100015191253_100102631434 [0,2,0,0,0,0|2,0,0]=4 3091 B9R0.47 C=CCCNC(=O)[C@@H](C)O 240690a_100015191253_100000717761 [0,2,0,0,0,0|1,0,0]=3 3092 B9R0.47 C=CCCNC(=O)[C@H](C)O 1626a_100015191253_217856618621 [0,2,0,0,0,0|1,0,0]=3 3093 B9R0.47 C=CCCNC(=O)[C@H](C)O 240690a_100015191253_217856618621 [0,2,0,0,0,0|1,0,0]=3 3094 B9R0.47 C=CCNCC(=O)C(C)C 2230a_100020586998_100000753385 [0,2,0,0,0,0|1,0,0]=3 3095 B9R0.47 C=CCNCC(=O)N(C)C 2230a_100015183351_100000210623 [0,2,0,0,0,0|2,0,0]=4 3096 B9R0.47 C=CCNCC(=O)N(C)C 2230a_100020586998_100000185267 [0,2,0,0,0,0|2,0,0]=4 3097 B9R0.47 C=CCNNC(=O)C(=C)C 22a_100020588587_100000185857 [0,2,0,0,0,0|1,0,1]=4 3098 B9R0.47 C=CCNNC(=O)C(C)C 22a_100020588587_100000210198 [0,2,0,0,0,0|1,0,0]=3 3099 B9R0.47 C=CCNNC(=O)C(C)F 22a_100020588587_100000062450 [0,2,0,0,0,0|1,0,0]=3 3100 B9R0.47 C=CCNNC(=O)C(F)F 22a_100020588587_100000210393 [0,2,0,0,0,0|2,0,0]=4 3101 B9R0.47 C=CCNNC(=O)C(O)O 22a_100020588587_100000233687 [0,2,0,0,0,0|2,0,0]=4 3102 B9R0.47 C=CCNNC(=O)[C@@H](C)O 22a_100020588587_100000717761 [0,2,0,0,0,0|1,0,0]=3 3103 B9R0.47 C=CCNNC(=O)[C@H](C)O 22a_100020588587_217856618621 [0,2,0,0,0,0|1,0,0]=3 3104 B9R0.47 C=CCOCC(=O)C(=O)C 34a_200000210373_100011261029 [0,2,0,0,0,0|0,1,1]=4 3105 B9R0.47 C=CCOCC(=O)C(C)C 34a_200000210373_100000753385 [0,2,0,0,0,0|0,1,0]=3 3106 B9R0.47 C=CCOCC(=O)N(C)C 34a_200000210373_100000692301 [0,2,0,0,0,0|1,1,0]=4 3107 B9R0.47 C=CCSCC(=O)C(=O)C 62a_100000210623_100011261029 [0,2,0,0,0,0|0,0,1]=3 3108 B9R0.47 C=CCSCC(=O)C(=O)C 62a_100011261029_100000210623 [0,2,0,0,0,0|0,0,1]=3 3109 B9R0.47 C=CCSCC(=O)C(C)C 1458a_100000230395_100000210206 [0,2,0,0,0,0|0,0,0]=2 3110 B9R0.47 C=CCSCC(=O)C(C)C 62a_100000210623_100000753385 [0,2,0,0,0,0|0,0,0]=2 3111 B9R0.47 C=CCSCC(=O)C(C)C 62a_100000753385_100000210623 [0,2,0,0,0,0|0,0,0]=2 3112 B9R0.47 C=CCSCC(=O)N(C)C 11a_100102631434_100000230395 [0,2,0,0,0,0|1,0,0]=3 3113 B9R0.47 C=CCSCC(=O)N(C)C 1626a_100102631434_100000230395 [0,2,0,0,0,0|1,0,0]=3 3114 B9R0.47 C=CCSCC(=O)N(C)C 240690a_100102631434_100000230395 [0,2,0,0,0,0|1,0,0]=3 3115 B9R0.47 C=CCSCC(=O)N(C)C 527a_100102631434_100000230395 [0,2,0,0,0,0|1,0,0]=3 3116 B9R0.47 C=CCSCC(=O)N(C)C 62a_100000210623_100000692301 [0,2,0,0,0,0|1,0,0]=3 3117 B9R0.47 C=CCSCC(=O)N(C)C 62a_100000692301_100000210623 [0,2,0,0,0,0|1,0,0]=3 3118 B9R0.47 C=COCCC(=O)C(=C)C 1458a_100000185857_100000039644 [0,2,0,0,0,0|1,0,1]=4 3119 B9R0.47 C=COCCC(=O)C(C)C 1458a_100000210198_100000039644 [0,2,0,0,0,0|1,0,0]=3 3120 B9R0.47 C=COCCC(=O)C(C)F 1458a_100000062450_100000039644 [0,2,0,0,0,0|1,0,0]=3 3121 B9R0.47 C=COCCC(=O)C(O)O 1458a_100000233687_100000039644 [0,2,0,0,0,0|2,0,0]=4 3122 B9R0.47 C=COCCC(=O)[C@@H](C)O 1458a_100000717761_100000039644 [0,2,0,0,0,0|1,0,0]=3 3123 B9R0.47 C=COCCC(=O)[C@H](C)O 1458a_217856618621_100000039644 [0,2,0,0,0,0|1,0,0]=3 3124 B9R0.47 CC(=O)C(=O)CSCC=O 62a_100011261029_200015260668 [0,2,0,0,0,0|1,0,1]=4 3125 B9R0.47 CC(=O)C(=O)CSCC=O 62a_200015260668_100011261029 [0,2,0,0,0,0|1,0,1]=4 3126 B9R0.47 CC(C)C(=O)CSCC#N 1458a_100000150266_100000210206 [0,2,0,0,0,0|1,0,1]=4 3127 B9R0.47 CC(C)C(=O)CSCC#N 62a_100000753385_100011215382 [0,2,0,0,0,0|1,0,1]=4 3128 B9R0.47 CC(C)C(=O)CSCC#N 62a_100011215382_100000753385 [0,2,0,0,0,0|1,0,1]=4 3129 B9R0.47 CC(C)C(=O)CSCC=O 62a_100000753385_200015260668 [0,2,0,0,0,0|1,0,0]=3 3130 B9R0.47 CC(C)C(=O)CSCC=O 62a_200015260668_100000753385 [0,2,0,0,0,0|1,0,0]=3 3131 B9R0.47 CC(C)C(=O)CSCCF 62a_100000753385_100011217306 [0,2,0,0,0,0|1,0,1]=4 3132 B9R0.47 CC(C)C(=O)CSCCF 62a_100011217306_100000753385 [0,2,0,0,0,0|1,0,1]=4 3133 B9R0.47 CC(C)C(=O)CSCCO 62a_100000211926_100000753385 [0,2,0,0,0,0|1,0,1]=4 3134 B9R0.47 CC(C)C(=O)CSCCO 62a_100000753385_100000211926 [0,2,0,0,0,0|1,0,1]=4 3135 B9R0.47 CCCSCC(=O)C(C)C 1458a_100000217233_100000210206 [0,2,0,0,0,0|0,0,2]=4 3136 B9R0.47 CCCSCC(=O)C(C)C 62a_100000210303_100000753385 [0,2,0,0,0,0|0,0,2]=4 3137 B9R0.47 CCCSCC(=O)C(C)C 62a_100000753385_100000210303 [0,2,0,0,0,0|0,0,2]=4 3138 B9R0.47 CN(C)C(=O)CSCC=O 62a_100000692301_200015260668 [0,2,0,0,0,0|2,0,0]=4 3139 B9R0.47 CN(C)C(=O)CSCC=O 62a_200015260668_100000692301 [0,2,0,0,0,0|2,0,0]=4 3140 B9R0.47 COCSCC(=O)C(C)C 62a_100000753385_100000766300 [0,2,0,0,0,0|1,0,1]=4 3141 B9R0.47 COCSCC(=O)C(C)C 62a_100000766300_100000753385 [0,2,0,0,0,0|1,0,1]=4 3142 B9R0.47 CSCSCC(=O)C(C)C 62a_100000753385_100011218213 [0,2,0,0,0,0|1,0,1]=4 3143 B9R0.47 CSCSCC(=O)C(C)C 62a_100011218213_100000753385 [0,2,0,0,0,0|1,0,1]=4 3144 B9R0.50 C/C=C/CSC(CC)CC 62a_100000210505_100102629194 [0,2,0,0,0,0|1,0,1]=4 3145 B9R0.50 C/C=C/CSC(CC)CC 62a_100102629194_100000210505 [0,2,0,0,0,0|1,0,1]=4 3146 B9R0.50 C=CCCSC(CC)CC 62a_100000210505_100000754431 [0,2,0,0,0,0|1,0,1]=4 3147 B9R0.50 C=CCCSC(CC)CC 62a_100000754431_100000210505 [0,2,0,0,0,0|1,0,1]=4 3148 B9R0.50 C=CCSCC(CC)CC 62a_100000210623_100011215472 [0,2,0,0,0,0|1,0,1]=4 3149 B9R0.50 C=CCSCC(CC)CC 62a_100011215472_100000210623 [0,2,0,0,0,0|1,0,1]=4 3150 B9R0.50 CC=CCSC(CC)CC 62a_100000070051_100000210505 [0,2,0,0,0,0|1,0,1]=4 3151 B9R0.50 CC=CCSC(CC)CC 62a_100000210505_100000070051 [0,2,0,0,0,0|1,0,1]=4 3152 B9R0.3 C=CCCC(=O)C(C)(C)C 1458a_106744555173_100000754431 [0,2,0,0,0,0|1,0,0]=3 3153 B9R0.3 C=CCCC(=O)C(C)(C)F 1458a_100000765255_100000754431 [0,2,0,0,0,0|1,0,0]=3 3154 B9R0.3 C=CCCC(=O)C(C)(C)O 1458a_100000242741_100000754431 [0,2,0,0,0,0|1,0,0]=3 3155 B9R0.3 C=CCCC(=O)C(F)(F)F 1458a_100000749702_200000243211 [0,2,0,0,0,0|2,0,0]=4 3156 B9R0.3 C=CCCC(=O)C(F)(F)F 1458a_100015355933_100000754431 [0,2,0,0,0,0|2,0,0]=4 3157 B9R0.3 C=CCNC(=O)C(C)(C)C 1626a_100020586998_106744555173 [0,2,0,0,0,0|1,0,0]=3 3158 B9R0.3 C=CCNC(=O)C(C)(C)C 240690a_100020586998_106744555173 [0,2,0,0,0,0|1,0,0]=3 3159 B9R0.3 C=CCNC(=O)C(C)(C)C 527a_100020586998_106744555173 [0,2,0,0,0,0|1,0,0]=3 3160 B9R0.3 C=CCNC(=O)C(C)(C)F 1626a_100020586998_100000765255 [0,2,0,0,0,0|1,0,0]=3 3161 B9R0.3 C=CCNC(=O)C(C)(C)F 240690a_100020586998_100000765255 [0,2,0,0,0,0|1,0,0]=3 3162 B9R0.3 C=CCNC(=O)C(C)(C)F 527a_100020586998_100000765255 [0,2,0,0,0,0|1,0,0]=3 3163 B9R0.3 C=CCNC(=O)C(C)(C)O 240690a_100020586998_100000242741 [0,2,0,0,0,0|1,0,0]=3 3164 B9R0.3 C=CCNC(=O)C(C)(F)F 1626a_100020586998_100000042251 [0,2,0,0,0,0|1,0,0]=3 3165 B9R0.3 C=CCNC(=O)C(C)(F)F 240690a_100020586998_100000042251 [0,2,0,0,0,0|1,0,0]=3 3166 B9R0.3 C=CCNC(=O)C(C)(F)F 527a_100020586998_100000042251 [0,2,0,0,0,0|1,0,0]=3 3167 B9R0.3 C=CCNC(=O)C(F)(F)F 1626a_100020586998_100015355933 [0,2,0,0,0,0|2,0,0]=4 3168 B9R0.3 C=CCNC(=O)C(F)(F)F 240690a_100020586998_100015355933 [0,2,0,0,0,0|2,0,0]=4 3169 B9R0.3 C=CCNC(=O)C(F)(F)F 527a_100020586998_100000210220 [0,2,0,0,0,0|2,0,0]=4 3170 B9R0.3 [2H]C([2H])([2H])C(=O)NCC=C 1626a_100020586998_200015216371 [0,2,0,0,0,0|2,0,0]=4 3171 B9R0.3 [2H]C([2H])([2H])C(=O)NCC=C 240690a_100020586998_200015216371 [0,2,0,0,0,0|2,0,0]=4 3172 B9R0.3 [2H]C([2H])([2H])C(=O)NCC=C 527a_100020586998_200015216371 [0,2,0,0,0,0|2,0,0]=4 3173 B9R0.7 C=C(C)CCC(=O)C(=C)C 1458a_100000185857_100000730704 [0,2,0,0,0,0|1,0,1]=4 3174 B9R0.7 C=C(C)CCC(=O)C(C)C 1458a_100000210198_100000730704 [0,2,0,0,0,0|1,0,0]=3 3175 B9R0.7 C=C(C)CCC(=O)C(C)C 1458a_200000688413_100000210206 [0,2,0,0,0,0|1,0,0]=3 3176 B9R0.7 C=C(C)CCC(=O)C(C)F 1458a_100000062450_100000730704 [0,2,0,0,0,0|1,0,0]=3 3177 B9R0.7 C=C(C)CCC(=O)C(O)O 1458a_100000233687_100000730704 [0,2,0,0,0,0|2,0,0]=4 3178 B9R0.7 C=C(C)CCC(=O)N(C)C 11a_100102631434_200000688413 [0,2,0,0,0,0|2,0,0]=4 3179 B9R0.7 C=C(C)CCC(=O)N(C)C 1626a_100102631434_200000688413 [0,2,0,0,0,0|2,0,0]=4 3180 B9R0.7 C=C(C)CCC(=O)N(C)C 240690a_100102631434_200000688413 [0,2,0,0,0,0|2,0,0]=4 3181 B9R0.7 C=C(C)CCC(=O)N(C)C 527a_100102631434_200000688413 [0,2,0,0,0,0|2,0,0]=4 3182 B9R0.7 C=C(C)CCC(=O)[C@@H](C)O 1458a_100000717761_100000730704 [0,2,0,0,0,0|1,0,0]=3 3183 B9R0.7 C=C(C)CCC(=O)[C@H](C)O 1458a_217856618621_100000730704 [0,2,0,0,0,0|1,0,0]=3 3184 B9R0.7 C=C(C)CNC(=O)C(=C)C 11a_100000765925_100000185857 [0,2,0,0,0,0|1,0,1]=4 3185 B9R0.7 C=C(C)CNC(=O)C(=C)C 1626a_100000765925_100000185857 [0,2,0,0,0,0|1,0,1]=4 3186 B9R0.7 C=C(C)CNC(=O)C(C)C 11a_100000765925_100000210198 [0,2,0,0,0,0|1,0,0]=3 3187 B9R0.7 C=C(C)CNC(=O)C(C)C 1626a_100000765925_100000210198 [0,2,0,0,0,0|1,0,0]=3 3188 B9R0.7 C=C(C)CNC(=O)C(C)C 240690a_100000765925_100000210198 [0,2,0,0,0,0|1,0,0]=3 3189 B9R0.7 C=C(C)CNC(=O)C(C)C 527a_100000765925_100000210198 [0,2,0,0,0,0|1,0,0]=3 3190 B9R0.7 C=C(C)CNC(=O)C(C)F 11a_100000765925_100000062450 [0,2,0,0,0,0|1,0,0]=3 3191 B9R0.7 C=C(C)CNC(=O)C(C)F 1626a_100000765925_100000062450 [0,2,0,0,0,0|1,0,0]=3 3192 B9R0.7 C=C(C)CNC(=O)C(C)F 240690a_100000765925_100000062450 [0,2,0,0,0,0|1,0,0]=3 3193 B9R0.7 C=C(C)CNC(=O)C(C)F 527a_100000765925_100000062450 [0,2,0,0,0,0|1,0,0]=3 3194 B9R0.7 C=C(C)CNC(=O)C(F)F 11a_100000765925_100000210393 [0,2,0,0,0,0|2,0,0]=4 3195 B9R0.7 C=C(C)CNC(=O)C(F)F 1626a_100000765925_100000210393 [0,2,0,0,0,0|2,0,0]=4 3196 B9R0.7 C=C(C)CNC(=O)C(F)F 240690a_100000765925_100000210393 [0,2,0,0,0,0|2,0,0]=4 3197 B9R0.7 C=C(C)CNC(=O)C(F)F 527a_100000765925_100000210393 [0,2,0,0,0,0|2,0,0]=4 3198 B9R0.7 C=C(C)CNC(=O)C(O)O 240690a_100000765925_100000233687 [0,2,0,0,0,0|2,0,0]=4 3199 B9R0.7 C=C(C)CNC(=O)N(C)C 2708a_100000765925_100102631434 [0,2,0,0,0,0|2,0,0]=4 3200 B9R0.7 C=C(C)CNC(=O)[C@@H](C)O 240690a_100000765925_100000717761 [0,2,0,0,0,0|1,0,0]=3 3201 B9R0.7 C=C(C)CNC(=O)[C@H](C)O 1626a_100000765925_217856618621 [0,2,0,0,0,0|1,0,0]=3 3202 B9R0.7 C=C(C)CNC(=O)[C@H](C)O 240690a_100000765925_217856618621 [0,2,0,0,0,0|1,0,0]=3 3203 B9R0.7 CC(=O)CNC(=O)C(C)C 1458a_100000194582_200000210301 [0,2,0,0,0,0|1,0,1]=4 3204 B9R0.7 CC(=O)COC(=O)C(C)C 1458a_100000070787_100000139345 [0,2,0,0,0,0|0,1,1]=4 3205 B9R0.7 CC(C)C(=O)CCC(=O)N 1458a_100011215257_100000210206 [0,2,0,0,0,0|2,0,0]=4 3206 B9R0.7 CC(C)C(=O)NCC(=O)N 11a_100000711301_100000210198 [0,2,0,0,0,0|2,0,0]=4 3207 B9R0.7 CC(C)C(=O)NCC(=O)N 240690a_100000711301_100000210198 [0,2,0,0,0,0|2,0,0]=4 3208 B9R0.7 CC(C)C(=O)NCC(=O)N 527a_100000711301_100000210198 [0,2,0,0,0,0|2,0,0]=4 3209 B9R0.7 CC(C)C(=O)NCC(=O)[13CH3] 1458a_100000194582_200025704644 [0,2,0,0,0,0|1,0,1]=4 3210 B9R0.7 CC(F)C(=O)NCC(=O)N 11a_100000711301_100000062450 [0,2,0,0,0,0|2,0,0]=4 3211 B9R0.7 CC(F)C(=O)NCC(=O)N 240690a_100000711301_100000062450 [0,2,0,0,0,0|2,0,0]=4 3212 B9R0.7 CC(F)C(=O)NCC(=O)N 527a_100000711301_100000062450 [0,2,0,0,0,0|2,0,0]=4 3213 B9R0.7 C[C@@H](O)C(=O)NCC(=O)N 240690a_100000711301_100000717761 [0,2,0,0,0,0|2,0,0]=4 3214 B9R0.7 C[C@H](O)C(=O)NCC(=O)N 240690a_100000711301_217856618621 [0,2,0,0,0,0|2,0,0]=4 3215 B9R0.13 C=CCNC(CC)C(=O)N 2230a_100000733705_100000210623 [0,2,0,0,0,0|1,0,1]=4 3216 B9R0.13 C=CCNC(CC)C(=O)N 2230a_100020586998_100000750255 [0,2,0,0,0,0|1,0,1]=4 3217 B9R0.13 C=CCNC(CC)C(=O)N 34a_100000733705_100015514636 [0,2,0,0,0,0|1,0,1]=4 3218 B9R0.13 C=CCN[C@H](CC)C(=O)O 269956a_100000747097_100000210623 [0,2,0,0,0,0|1,0,1]=4 3219 B9R0.13 C=CCOC(CC)C(=O)N 34a_200000210373_100000750255 [0,2,0,0,0,0|0,1,1]=4 3220 B9R0.13 C=CCSC(CC)C(=O)N 62a_100000210623_100000750255 [0,2,0,0,0,0|0,0,1]=3 3221 B9R0.13 C=CCSC(CC)C(=O)N 62a_100000750255_100000210623 [0,2,0,0,0,0|0,0,1]=3 3222 B9R0.13 CCC(SCC=O)C(=O)N 62a_100000750255_200015260668 [0,2,0,0,0,0|1,0,1]=4 3223 B9R0.13 CCC(SCC=O)C(=O)N 62a_200015260668_100000750255 [0,2,0,0,0,0|1,0,1]=4 3224 B9R0.42 C=C(C)C(=O)CC(=O)CC 1458a_100000185857_100000747405 [0,2,0,0,0,0|1,0,1]=4 3225 B9R0.42 C=CC(=O)CC(=O)C(C)C 1458a_100000185746_100000753385 [0,2,0,0,0,0|1,0,1]=4 3226 B9R0.42 C=CC(C)CC(=O)C(C)C 1458a_100011934298_100000210206 [0,2,0,0,0,0|1,0,0]=3 3227 B9R0.42 C=CC(C)CC(=O)N(C)C 11a_100102631434_100011934298 [0,2,0,0,0,0|2,0,0]=4 3228 B9R0.42 C=CC(C)CC(=O)N(C)C 1626a_100102631434_100011934298 [0,2,0,0,0,0|2,0,0]=4 3229 B9R0.42 C=CC(C)CC(=O)N(C)C 240690a_100102631434_100011934298 [0,2,0,0,0,0|2,0,0]=4 3230 B9R0.42 C=CC(C)CC(=O)N(C)C 527a_100102631434_100011934298 [0,2,0,0,0,0|2,0,0]=4 3231 B9R0.42 CCC(=O)NC(C)C(=O)C 1458a_100000194823_200000210301 [0,2,0,0,0,0|1,0,1]=4 3232 B9R0.42 CCC(=O)NC(C)C(=O)[13CH3] 1458a_100000194823_200025704644 [0,2,0,0,0,0|1,0,1]=4 3233 B9R0.42 CCC(=O)N[C@H](C)C(=O)N 11a_100000119354_100000210414 [0,2,0,0,0,0|2,0,0]=4 3234 B9R0.42 CCC(=O)N[C@H](C)C(=O)N 240690a_100000119354_100000210414 [0,2,0,0,0,0|2,0,0]=4 3235 B9R0.42 CCC(=O)N[C@H](C)C(=O)N 527a_100000119354_100000210414 [0,2,0,0,0,0|2,0,0]=4 3236 B9R0.51 C=CCNS(=O)(=O)C(C)C 270084a_100020586998_100000742656 [0,2,0,0,0,0|2,0,0]=4 3237 B9R0.51 C=CCNS(=O)(=O)C(C)C 274078a_100020586998_100000742656 [0,2,0,0,0,0|2,0,0]=4 3238 B9R0.43 C=C(C)CSC(CC)CC 62a_100000210505_100000211660 [0,2,0,0,0,0|1,0,1]=4 3239 B9R0.43 C=C(C)CSC(CC)CC 62a_100000748629_100000210505 [0,2,0,0,0,0|1,0,1]=4 3240 B9R0.43 C=C(F)CSC(CC)CC 62a_100000042424_100000210505 [0,2,0,0,0,0|1,0,1]=4 3241 B9R0.43 C=C(F)CSC(CC)CC 62a_100000210505_100000042424 [0,2,0,0,0,0|1,0,1]=4 3242 B9R0.64 C=C(C)CNS(=O)(=O)CC 270084a_100000765925_100000211323 [0,2,0,0,0,0|2,0,0]=4 3243 B9R0.64 C=C(C)CNS(=O)(=O)CC 274078a_100000765925_100000211323 [0,2,0,0,0,0|2,0,0]=4 3244 B9R0.64 C=C(C)CNS(=O)(=O)CC 40a_100000765925_100000053943 [0,2,0,0,0,0|2,0,0]=4 3245 B9R0.64 C=C(C)CSC(C)(C)CC 62a_100000032637_100000211660 [0,2,0,0,0,0|1,0,1]=4 3246 B9R0.64 C=C(C)CSC(C)(C)CC 62a_100000748629_100000032637 [0,2,0,0,0,0|1,0,1]=4 3247 B9R0.64 C=C(F)CSC(C)(C)CC 62a_100000032637_100000042424 [0,2,0,0,0,0|1,0,1]=4 3248 B9R0.64 C=C(F)CSC(C)(C)CC 62a_100000042424_100000032637 [0,2,0,0,0,0|1,0,1]=4 3249 B9R0.26 C=CC(C)SC(CC)CC 62a_100011215867_100000210505 [0,2,0,0,0,0|1,0,1]=4 3250 B9R0.26 C=C[C@@H](CO)NC(=O)CC 240690a_100016989147_100000210414 [0,2,0,0,0,0|1,0,0]=3 3251 B9R0.26 C=C[C@@H](CO)NC(=O)CC 527a_100016989147_100000210414 [0,2,0,0,0,0|1,0,0]=3 3252 B9R0.26 C=C[C@@H](CO)NC(=O)CO 240690a_100016989147_100000210174 [0,2,0,0,0,0|2,0,0]=4 3253 B9R0.26 C=C[C@@H](CO)NC(=O)CO 527a_100016989147_100000210174 [0,2,0,0,0,0|2,0,0]=4 3254 B9R0.26 C=C[C@@H](CO)NC(=O)NC 2708a_100102657272_100016989147 [0,2,0,0,0,0|2,0,0]=4 3255 B9R0.26 C=C[C@@H](CO)NC(=O)NC 273464a_100016989147_100102657272 [0,2,0,0,0,0|2,0,0]=4 3256 B9R0.26 C=C[C@@H](CO)NC(=O)NC 273464a_100102657272_100016989147 [0,2,0,0,0,0|2,0,0]=4 3257 B9R0.26 C=C[C@@H](CO)NC(=O)NC 512a_106832991638_100016989147 [0,2,0,0,0,0|2,0,0]=4 3258 B9R0.67 C=CCSC(C)(CC)CC 62a_100000210623_100009817345 [0,2,0,0,0,0|1,0,1]=4 3259 B9R0.67 C=CCSC(C)(CC)CC 62a_100009817345_100000210623 [0,2,0,0,0,0|1,0,1]=4 3260 B9R0.22 C=CC(C)SC(C)(C)CC 62a_100011215867_100000032637 [0,2,0,0,0,0|1,0,1]=4 3261 B9R0.22 C=CC(F)(F)SC(C)CC 62a_100000758301_100009814244 [0,2,0,0,0,0|1,0,1]=4 3262 B9R0.22 C=CC(F)(F)SC(C)CC 62a_100009814244_100000758301 [0,2,0,0,0,0|1,0,1]=4 3263 B9R0.22 C=C[Si](C)(C)CC(=O)CC 1458a_100000210414_100000038793 [0,2,0,0,0,0|1,1,0]=4 3264 B7R1.1 CCN1CC=CC1 269982a_100015195280_100000204670 [1,0,0,1,0,0|2,0,0]=4 3265 B7R1.1 CSc1cccs1 62a_100011215356_200000210301 [1,0,0,1,0,0|2,0,0]=4 3266 B7R1.1 CSc1cccs1 62a_200000210301_100011215356 [1,0,0,1,0,0|2,0,0]=4 3267 B7R1.1 CSc1nccs1 62a_100000211983_200000210301 [1,0,0,1,0,0|2,0,0]=4 3268 B7R1.1 CSc1nccs1 62a_200000210301_100000211983 [1,0,0,1,0,0|2,0,0]=4 3269 B7R1.1 [13CH3]Sc1cccs1 62a_100011215356_200025704644 [1,0,0,1,0,0|2,0,0]=4 3270 B7R1.1 [13CH3]Sc1cccs1 62a_200025704644_100011215356 [1,0,0,1,0,0|2,0,0]=4 3271 B7R1.1 [13CH3]Sc1nccs1 62a_100000211983_200025704644 [1,0,0,1,0,0|2,0,0]=4 3272 B7R1.1 [13CH3]Sc1nccs1 62a_200025704644_100000211983 [1,0,0,1,0,0|2,0,0]=4 3273 B7R1.3 CN1CC=CCC1 2230a_100000698166_200000210301 [1,0,0,1,0,0|2,0,0]=4 3274 B7R1.3 CN1CC=CCC1 269982a_100000698166_200000210301 [1,0,0,1,0,0|2,0,0]=4 3275 B7R1.3 CN1CC=CCC1 34a_100000698166_200000210301 [1,0,0,1,0,0|2,0,0]=4 3276 B7R1.3 [13CH3]N1CC=CCC1 2230a_100000698166_200025704644 [1,0,0,1,0,0|2,0,0]=4 3277 B7R1.3 [13CH3]N1CC=CCC1 269982a_100000698166_200025704644 [1,0,0,1,0,0|2,0,0]=4 3278 B7R1.3 [13CH3]N1CC=CCC1 34a_100000698166_200025704644 [1,0,0,1,0,0|2,0,0]=4 3279 B7R1.4 Cc1ccsc1O 271570a_203496583355_100000742657 [1,0,0,1,0,0|0,0,2]=4 3280 B7R1.6 C=CCN1CCC1 269982a_100000754969_100000210623 [1,0,0,1,0,0|2,0,0]=4 3281 B7R1.8 CNC1CCC1=O 34a_100102657272_100009892977 [1,0,0,1,0,0|1,0,1]=4 3282 B7R1.8 CNC1CCC1=O 7a_106832991635_100009892977 [1,0,0,1,0,0|1,0,1]=4 3283 B7R1.8 COC1CCC1=O 34a_100138415774_100009892977 [1,0,0,1,0,0|1,0,1]=4 3284 B7R1.8 CSC1CCC1=O 62a_100009892977_200000210301 [1,0,0,1,0,0|1,0,1]=4 3285 B7R1.8 CSC1CCC1=O 62a_200000210301_100009892977 [1,0,0,1,0,0|1,0,1]=4 3286 B7R1.8 [13CH3]SC1CCC1=O 62a_100009892977_200025704644 [1,0,0,1,0,0|1,0,1]=4 3287 B7R1.8 [13CH3]SC1CCC1=O 62a_200025704644_100009892977 [1,0,0,1,0,0|1,0,1]=4 3288 B7R1.22 CCC(=O)C1CC1 1458a_100000210395_100000210202 [1,0,0,1,0,0|0,0,2]=4 3289 B7R1.22 CCC(=O)C1CO1 1458a_100000701028_100000210202 [1,0,0,1,0,0|1,0,1]=4 3290 B7R1.7 C=CCSC1CC1 62a_100000210623_100000211595 [1,0,0,1,0,0|1,0,1]=4 3291 B9R1.7 C=CCN1CNC(=O)C1 2230a_200000708111_100000210623 [0,1,0,1,0,0|2,0,0]=4 3292 B9R1.12 C=CCSC1CCCC1 62a_100000210623_100000179811 [0,1,0,1,0,0|1,0,1]=4 3293 B9R1.12 C=CCSC1CCCC1 62a_100011217020_100000210623 [0,1,0,1,0,0|1,0,1]=4 3294 B9R1.12 C=CCSC1CCOC1 62a_100000210623_100000690089 [0,1,0,1,0,0|0,0,2]=4 3295 B9R1.27 CNC1C(=O)CCC1=O 2230a_106832991635_100009820769 [0,1,0,1,0,0|2,0,0]=4 3296 B9R1.27 CNC1C(=O)CCC1=O 7a_106832991635_100009820769 [0,1,0,1,0,0|2,0,0]=4 3297 B9R1.27 CNC1C(=O)COC1=O 34a_100102657272_100000032967 [0,1,0,1,0,0|1,1,0]=4 3298 B9R1.27 COC1C(=O)COC1=O 34a_100138415774_100000032967 [0,1,0,1,0,0|1,1,0]=4 3299 B9R1.27 CSC1C(=O)CCC1=O 62a_100009820769_200000210301 [0,1,0,1,0,0|2,0,0]=4 3300 B9R1.27 CSC1C(=O)CCC1=O 62a_200000210301_100009820769 [0,1,0,1,0,0|2,0,0]=4 3301 B9R1.27 CSC1C(=O)COC1=O 62a_200000210301_100000032967 [0,1,0,1,0,0|1,1,0]=4 3302 B9R1.27 [13CH3]SC1C(=O)CCC1=O 62a_100009820769_200025704644 [0,1,0,1,0,0|2,0,0]=4 3303 B9R1.27 [13CH3]SC1C(=O)CCC1=O 62a_200025704644_100009820769 [0,1,0,1,0,0|2,0,0]=4 3304 B9R1.27 [13CH3]SC1C(=O)COC1=O 62a_200025704644_100000032967 [0,1,0,1,0,0|1,1,0]=4 3305 B9R1.100 C=CCCC(=O)C1CC1 1458a_100000210395_100000754431 [0,1,0,1,0,0|1,0,0]=3 3306 B9R1.100 C=CCCC(=O)C1CO1 1458a_100000701028_100000754431 [0,1,0,1,0,0|1,0,0]=3 3307 B9R1.100 C=CCNC(=O)C1CC1 1626a_100020586998_100000210395 [0,1,0,1,0,0|1,0,0]=3 3308 B9R1.100 C=CCNC(=O)C1CC1 240690a_100020586998_100000210395 [0,1,0,1,0,0|1,0,0]=3 3309 B9R1.100 C=CCNC(=O)C1CC1 527a_100020586998_100000210395 [0,1,0,1,0,0|1,0,0]=3 3310 B9R1.100 C=CCNC(=O)C1CO1 1626a_100020586998_100000701028 [0,1,0,1,0,0|1,0,0]=3 3311 B9R1.100 C=CCNC(=O)C1CO1 240690a_100020586998_100000701028 [0,1,0,1,0,0|1,0,0]=3 3312 B9R1.100 C=CCNC(=O)C1CO1 527a_100020586998_100000701028 [0,1,0,1,0,0|1,0,0]=3 3313 B9R1.11 CCC(=O)C1=CCCC1 1458a_100000038896_100000210202 [0,1,0,1,0,0|1,0,1]=4 3314 B9R1.11 CCC(=O)C1=CCOC1 1458a_100000139269_100000210202 [0,1,0,1,0,0|1,0,1]=4 3315 B9R1.11 CCC(=O)C1=COCC1 1458a_100000750620_100000210202 [0,1,0,1,0,0|1,0,1]=4 3316 B9R1.11 CCC(=O)C1CC=CC1 1458a_100000759439_100000210202 [0,1,0,1,0,0|1,0,0]=3 3317 B9R1.11 CCC(=O)C1CCCS1 1458a_100012002731_100000210202 [0,1,0,1,0,0|0,0,2]=4 3318 B9R1.11 CCC(=O)N1CC=CC1 1626a_100015195280_100000210414 [0,1,0,1,0,0|1,0,0]=3 3319 B9R1.11 CCC(=O)N1CC=CC1 240690a_100015195280_100000210414 [0,1,0,1,0,0|1,0,0]=3 3320 B9R1.11 CNC(=O)C1CC=CC1 11a_106832991635_100000759439 [0,1,0,1,0,0|2,0,0]=4 3321 B9R1.11 CNC(=O)C1CC=CC1 1626a_100102657272_100000759439 [0,1,0,1,0,0|2,0,0]=4 3322 B9R1.11 CNC(=O)C1CC=CC1 240690a_100102657272_100000759439 [0,1,0,1,0,0|2,0,0]=4 3323 B9R1.11 CNC(=O)C1CC=CC1 527a_100102657272_100000759439 [0,1,0,1,0,0|2,0,0]=4 3324 B9R1.11 CNC(=O)N1CC=CC1 2708a_100102657272_100015195280 [0,1,0,1,0,0|2,0,0]=4 3325 B9R1.11 CNC(=O)N1CC=CC1 273464a_100102657272_100015195280 [0,1,0,1,0,0|2,0,0]=4 3326 B9R1.11 O=C(CF)C1CC=CC1 1458a_100000759439_100015361967 [0,1,0,1,0,0|2,0,0]=4 3327 B9R1.11 O=C(CO)N1CC=CC1 240690a_100015195280_100000210174 [0,1,0,1,0,0|2,0,0]=4 3328 B9R1.82 C=C1CC(C1)C(=O)CC 1458a_100000065620_100000210202 [0,1,0,1,0,0|1,0,0]=3 3329 B9R1.82 C=C1CC(C1)C(=O)CF 1458a_100000065620_100015361967 [0,1,0,1,0,0|2,0,0]=4 3330 B9R1.82 C=C1CC(C1)C(=O)NC 11a_106832991635_100000065620 [0,1,0,1,0,0|2,0,0]=4 3331 B9R1.82 C=C1CC(C1)C(=O)NC 1626a_100102657272_100000065620 [0,1,0,1,0,0|2,0,0]=4 3332 B9R1.82 C=C1CC(C1)C(=O)NC 240690a_100102657272_100000065620 [0,1,0,1,0,0|2,0,0]=4 3333 B9R1.82 C=C1CC(C1)C(=O)NC 527a_100102657272_100000065620 [0,1,0,1,0,0|2,0,0]=4 3334 B9R1.82 CCC(=O)[C@@H]1CC(=O)N1 1458a_100016090685_100000210202 [0,1,0,1,0,0|2,0,0]=4 3335 B9R1.17 C/C=C/CSC1CCC1 62a_100102629194_100000749161 [0,1,0,1,0,0|1,0,1]=4 3336 B9R1.17 C=CCCSC1CCC1 62a_100000754431_100000749161 [0,1,0,1,0,0|1,0,1]=4 3337 B9R1.17 C=CCSCC1CCC1 62a_100000210623_100000763275 [0,1,0,1,0,0|1,0,1]=4 3338 B9R1.17 C=CCSCC1CCC1 62a_100000763275_100000210623 [0,1,0,1,0,0|1,0,1]=4 3339 B9R1.17 C=CCSCC1CCO1 62a_100000103362_100000210623 [0,1,0,1,0,0|0,0,2]=4 3340 B9R1.17 C=CCSCC1CCO1 62a_100000210623_100000103362 [0,1,0,1,0,0|0,0,2]=4 3341 B9R1.17 CC=CCSC1CCC1 62a_100000070051_100000749161 [0,1,0,1,0,0|1,0,1]=4 3342 B9R1.21 C=Cc1ccc(s1)CC 271570a_100011290941_100009844052 [0,1,0,1,0,0|1,0,1]=4 3343 B9R1.21 C=Cc1csc(c1)CC 271570a_100011290941_100009846239 [0,1,0,1,0,0|1,0,1]=4 3344 B9R1.39 C#CCSC1CCC1=O 62a_100000038162_100009892977 [0,1,0,1,0,0|0,0,2]=4 3345 B9R1.39 C=CCOC1CCC1=O 34a_200000210373_100009892977 [0,1,0,1,0,0|0,1,0]=3 3346 B9R1.39 C=CCSC1CCC1=O 62a_100000210623_100009892977 [0,1,0,1,0,0|0,0,0]=2 3347 B9R1.39 C=CCSC1CCC1=O 62a_100009892977_100000210623 [0,1,0,1,0,0|0,0,0]=2 3348 B9R1.39 CCCSC1CCC1=O 62a_100000210303_100009892977 [0,1,0,1,0,0|0,0,2]=4 3349 B9R1.39 CCCSC1CCC1=O 62a_100009892977_100000210303 [0,1,0,1,0,0|0,0,2]=4 3350 B9R1.39 COCSC1CCC1=O 62a_100000766300_100009892977 [0,1,0,1,0,0|1,0,1]=4 3351 B9R1.39 COCSC1CCC1=O 62a_100009892977_100000766300 [0,1,0,1,0,0|1,0,1]=4 3352 B9R1.39 CSCSC1CCC1=O 62a_100009892977_100011218213 [0,1,0,1,0,0|1,0,1]=4 3353 B9R1.39 CSCSC1CCC1=O 62a_100011218213_100009892977 [0,1,0,1,0,0|1,0,1]=4 3354 B9R1.39 N#CCSC1CCC1=O 62a_100009892977_100011215382 [0,1,0,1,0,0|1,0,1]=4 3355 B9R1.39 N#CCSC1CCC1=O 62a_100011215382_100009892977 [0,1,0,1,0,0|1,0,1]=4 3356 B9R1.39 O=C1CCC1SCCF 62a_100009892977_100011217306 [0,1,0,1,0,0|1,0,1]=4 3357 B9R1.39 O=C1CCC1SCCF 62a_100011217306_100009892977 [0,1,0,1,0,0|1,0,1]=4 3358 B9R1.39 O=C1CCC1SCCO 62a_100000211926_100009892977 [0,1,0,1,0,0|1,0,1]=4 3359 B9R1.39 O=C1CCC1SCCO 62a_100009892977_100000211926 [0,1,0,1,0,0|1,0,1]=4 3360 B9R1.39 O=CCSC1CCC1=O 62a_100009892977_200015260668 [0,1,0,1,0,0|1,0,0]=3 3361 B9R1.39 O=CCSC1CCC1=O 62a_200015260668_100009892977 [0,1,0,1,0,0|1,0,0]=3 3362 B9R1.79 C=CC(C)SC1CCC1 62a_100011215867_100000749161 [0,1,0,1,0,0|1,0,1]=4 3363 B9R1.80 CCC(=O)CSC1CC1 62a_100000747405_100000211595 [0,1,0,1,0,0|0,0,2]=4 3364 B9R1.81 C=CC(=O)C1CCC1=O 1458a_100000185746_100009892977 [0,1,0,1,0,0|1,0,1]=4 3365 B9R1.81 CCC(=O)C1CCC1=O 1458a_100000210414_100009892977 [0,1,0,1,0,0|1,0,1]=4 3366 B9R1.35 CC(=O)C1CCC(=O)N1 1458a_100000210400_200000210301 [0,1,0,1,0,0|1,0,1]=4 3367 B9R1.35 CC(=O)[C@@H]1CCC(=O)O1 1458a_100009814974_200000210301 [0,1,0,1,0,0|0,1,1]=4 3368 B9R1.35 [13CH3]C(=O)C1CCC(=O)N1 1458a_100000210400_200025704644 [0,1,0,1,0,0|1,0,1]=4 3369 B9R1.35 [13CH3]C(=O)[C@@H]1CCC(=O)O1 1458a_100009814974_200025704644 [0,1,0,1,0,0|0,1,1]=4 3370 B9R1.84 C=C(C)CSC1CCC1 62a_100000748629_100000749161 [0,1,0,1,0,0|1,0,1]=4 3371 B9R1.84 C=C(F)CSC1CCC1 62a_100000042424_100000749161 [0,1,0,1,0,0|1,0,1]=4 3372 B9R1.193 C=CCSC1(CC1)C#N 62a_100000210623_100009889376 [0,1,0,1,0,0|1,0,1]=4 3373 B9R1.193 C=CCSC1(CC1)C#N 62a_100009889376_100000210623 [0,1,0,1,0,0|1,0,1]=4