0 B8R0.1 C#CCC(=O)CCC=C 1458a_100000749702_100000184674 [0,0,0,0,0,0|1,0,2]=3 1 B8R0.1 C#CCC(=O)CCC=C 1458a_100011220946_100000754431 [0,0,0,0,0,0|1,0,2]=3 2 B8R0.1 C#CCC(=O)NCC=C 1626a_100020586998_100011220946 [0,0,0,0,0,0|2,0,2]=4 3 B8R0.1 C#CCC(=O)NCC=C 527a_100020586998_100011220946 [0,0,0,0,0,0|2,0,2]=4 4 B8R0.1 C#CCCC(=O)C#CC 1458a_100000763181_100000753159 [0,0,0,0,0,0|1,0,3]=4 5 B8R0.1 C#CCCC(=O)C=CC 1458a_100000210699_100000753159 [0,0,0,0,0,0|1,0,3]=4 6 B8R0.1 C#CCCC(=O)CCC 1458a_100000211992_100000753159 [0,0,0,0,0,0|1,0,2]=3 7 B8R0.1 C#CCCC(=O)CCC 1458a_100000692101_100000210303 [0,0,0,0,0,0|1,0,2]=3 8 B8R0.1 C#CCCC(=O)CCF 1458a_100000692101_100011217306 [0,0,0,0,0,0|2,0,2]=4 9 B8R0.1 C#CCCC(=O)CCO 1458a_100000692101_100000211926 [0,0,0,0,0,0|2,0,2]=4 10 B8R0.1 C#CCCC(=O)CCO 1458a_100011216618_100000753159 [0,0,0,0,0,0|2,0,2]=4 11 B8R0.1 C#CCCC(=O)COC 1458a_100000210968_100000753159 [0,0,0,0,0,0|2,0,2]=4 12 B8R0.1 C#CCCC(=O)CSC 1458a_100000184570_100000753159 [0,0,0,0,0,0|2,0,2]=4 13 B8R0.1 C#CCCC(=O)NCC 11a_100015525214_100000692101 [0,0,0,0,0,0|1,0,2]=3 14 B8R0.1 C#CCCC(=O)NCC 240690a_100015525214_100000692101 [0,0,0,0,0,0|1,0,2]=3 15 B8R0.1 C#CCCC(=O)NCC 527a_100015525214_100000692101 [0,0,0,0,0,0|1,0,2]=3 16 B8R0.1 C#CCCC(=O)NNC 22a_100016993582_100000692101 [0,0,0,0,0,0|2,0,2]=4 17 B8R0.1 C#CCNC(=O)CCC 11a_100000212058_100000211992 [0,0,0,0,0,0|2,0,2]=4 18 B8R0.1 C#CCNC(=O)CCC 1626a_100000212058_100000211992 [0,0,0,0,0,0|2,0,2]=4 19 B8R0.1 C#CCNC(=O)CCC 240690a_100000212058_100000211992 [0,0,0,0,0,0|2,0,2]=4 20 B8R0.1 C#CCNC(=O)CCC 527a_100000212058_100000211992 [0,0,0,0,0,0|2,0,2]=4 21 B8R0.1 C#CCNC(=O)NCC 2708a_100000212058_100015525214 [0,0,0,0,0,0|2,0,2]=4 22 B8R0.1 C#CCNC(=O)NCC 2708a_100015525214_100000212058 [0,0,0,0,0,0|2,0,2]=4 23 B8R0.1 C#CCNC(=O)NCC 273464a_100000212058_100015525214 [0,0,0,0,0,0|2,0,2]=4 24 B8R0.1 C#CCNC(=O)NCC 273464a_100015525214_100000212058 [0,0,0,0,0,0|2,0,2]=4 25 B8R0.1 C#CCNC(=O)NCC 512a_100000212058_100015525214 [0,0,0,0,0,0|2,0,2]=4 26 B8R0.1 C#CCNC(=O)NCC 512a_100015525214_100000212058 [0,0,0,0,0,0|2,0,2]=4 27 B8R0.1 C/C=C/CC(=O)CCC 1458a_100000211992_100102629194 [0,0,0,0,0,0|1,0,2]=3 28 B8R0.1 C/C=C/CC(=O)CCO 1458a_100011216618_100102629194 [0,0,0,0,0,0|2,0,2]=4 29 B8R0.1 C/C=C/CC(=O)COC 1458a_100000210968_100102629194 [0,0,0,0,0,0|2,0,2]=4 30 B8R0.1 C/C=C/CC(=O)CSC 1458a_100000184570_100102629194 [0,0,0,0,0,0|2,0,2]=4 31 B8R0.1 C=CC=CC(=O)CCC 1458a_100016291481_100000210303 [0,0,0,0,0,0|1,0,2]=3 32 B8R0.1 C=CC=CC(=O)CCF 1458a_100016291481_100011217306 [0,0,0,0,0,0|2,0,2]=4 33 B8R0.1 C=CC=CC(=O)CCO 1458a_100016291481_100000211926 [0,0,0,0,0,0|2,0,2]=4 34 B8R0.1 C=CC=CC(=O)NNC 22a_100016993582_100016291481 [0,0,0,0,0,0|2,0,2]=4 35 B8R0.1 C=CCCC(=O)C#CC 1458a_100000763181_100000754431 [0,0,0,0,0,0|1,0,1]=2 36 B8R0.1 C=CCCC(=O)C=CBr 1458a_100016273825_100000754431 [0,0,0,0,0,0|2,0,1]=3 37 B8R0.1 C=CCCC(=O)C=CC 1458a_100000210699_100000754431 [0,0,0,0,0,0|1,0,1]=2 38 B8R0.1 C=CCCC(=O)C=CCl 1458a_200016279998_100000754431 [0,0,0,0,0,0|2,0,1]=3 39 B8R0.1 C=CCCC(=O)C=CI 1458a_100016256311_100000754431 [0,0,0,0,0,0|2,0,1]=3 40 B8R0.1 C=CCCC(=O)CC#N 1458a_100000749702_100011214920 [0,0,0,0,0,0|2,0,1]=3 41 B8R0.1 C=CCCC(=O)CC#N 1458a_100051588842_100000754431 [0,0,0,0,0,0|2,0,1]=3 42 B8R0.1 C=CCCC(=O)CC=C 1458a_100000210193_100000754431 [0,0,0,0,0,0|1,0,2]=3 43 B8R0.1 C=CCCC(=O)CC=C 1458a_100000749702_100000210623 [0,0,0,0,0,0|1,0,2]=3 44 B8R0.1 C=CCCC(=O)CCC 1458a_100000211992_100000754431 [0,0,0,0,0,0|1,0,0]=1 45 B8R0.1 C=CCCC(=O)CCC 1458a_100000749702_100000210303 [0,0,0,0,0,0|1,0,0]=1 46 B8R0.1 C=CCCC(=O)CCF 1458a_100000749702_100011217306 [0,0,0,0,0,0|2,0,0]=2 47 B8R0.1 C=CCCC(=O)CCO 1458a_100000749702_100000211926 [0,0,0,0,0,0|2,0,0]=2 48 B8R0.1 C=CCCC(=O)CCO 1458a_100011216618_100000754431 [0,0,0,0,0,0|2,0,0]=2 49 B8R0.1 C=CCCC(=O)COC 1458a_100000210968_100000754431 [0,0,0,0,0,0|2,0,0]=2 50 B8R0.1 C=CCCC(=O)CSC 1458a_100000184570_100000754431 [0,0,0,0,0,0|2,0,0]=2 51 B8R0.1 C=CCCC(=O)NCC 11a_100015525214_100000749702 [0,0,0,0,0,0|1,0,0]=1 52 B8R0.1 C=CCCC(=O)NCC 240690a_100015525214_100000749702 [0,0,0,0,0,0|1,0,0]=1 53 B8R0.1 C=CCCC(=O)NCC 527a_100015525214_100000749702 [0,0,0,0,0,0|1,0,0]=1 54 B8R0.1 C=CCCC(=O)NNC 22a_100016993582_100000749702 [0,0,0,0,0,0|2,0,0]=2 55 B8R0.1 C=CCCC(C)NCC 270004a_100015525214_100000762624 [0,0,0,0,0,0|2,0,1]=3 56 B8R0.1 C=CCCC(C)OCC 34a_100000765329_100000210202 [0,0,0,0,0,0|1,0,1]=2 57 B8R0.1 C=CCCC(C)OCC 7a_100000765329_100000210202 [0,0,0,0,0,0|1,0,1]=2 58 B8R0.1 C=CCCC(C)OCF 34a_100000765329_100015361967 [0,0,0,0,0,0|2,0,1]=3 59 B8R0.1 C=CCCC(C)OCF 7a_100000765329_100015361967 [0,0,0,0,0,0|2,0,1]=3 60 B8R0.1 C=CCCN(C)CCC 2230a_100000747261_100000754431 [0,0,0,0,0,0|3,0,0]=3 61 B8R0.1 C=CCCN(C)CCC 2230a_100020639649_100000210303 [0,0,0,0,0,0|3,0,0]=3 62 B8R0.1 C=CCCN(C)CCC 269982a_100000747261_100000754431 [0,0,0,0,0,0|3,0,0]=3 63 B8R0.1 C=CCCN(C)CCC 269982a_100020639649_100000210303 [0,0,0,0,0,0|3,0,0]=3 64 B8R0.1 C=CCCN(C)CCF 2230a_100020639649_100011217306 [0,0,0,0,0,0|4,0,0]=4 65 B8R0.1 C=CCCN(C)CCF 269982a_100020639649_100011217306 [0,0,0,0,0,0|4,0,0]=4 66 B8R0.1 C=CCCN(C)CCO 2230a_100000210263_100000754431 [0,0,0,0,0,0|4,0,0]=4 67 B8R0.1 C=CCCN(C)CCO 2230a_100020639649_100000211926 [0,0,0,0,0,0|4,0,0]=4 68 B8R0.1 C=CCCN(C)CCO 269982a_100000210263_100000754431 [0,0,0,0,0,0|4,0,0]=4 69 B8R0.1 C=CCCN(C)CCO 269982a_100020639649_100000211926 [0,0,0,0,0,0|4,0,0]=4 70 B8R0.1 C=CCCN(C)COC 2230a_100020639649_100000766300 [0,0,0,0,0,0|4,0,0]=4 71 B8R0.1 C=CCCN(C)COC 269982a_100020639649_100000766300 [0,0,0,0,0,0|4,0,0]=4 72 B8R0.1 C=CCCN(C)CSC 2230a_100020639649_100011218213 [0,0,0,0,0,0|4,0,0]=4 73 B8R0.1 C=CCCN(C)CSC 269982a_100020639649_100011218213 [0,0,0,0,0,0|4,0,0]=4 74 B8R0.1 C=CCNC(=O)C=CBr 1626a_100020586998_100016273825 [0,0,0,0,0,0|3,0,1]=4 75 B8R0.1 C=CCNC(=O)C=CBr 240690a_100020586998_100016273825 [0,0,0,0,0,0|3,0,1]=4 76 B8R0.1 C=CCNC(=O)C=CC 1626a_100020586998_100000210699 [0,0,0,0,0,0|2,0,1]=3 77 B8R0.1 C=CCNC(=O)C=CC 240690a_100020586998_100000210699 [0,0,0,0,0,0|2,0,1]=3 78 B8R0.1 C=CCNC(=O)C=CCl 1626a_100020586998_200016279998 [0,0,0,0,0,0|3,0,1]=4 79 B8R0.1 C=CCNC(=O)C=CCl 240690a_100020586998_200016279998 [0,0,0,0,0,0|3,0,1]=4 80 B8R0.1 C=CCNC(=O)C=CI 1626a_100020586998_100016256311 [0,0,0,0,0,0|3,0,1]=4 81 B8R0.1 C=CCNC(=O)CC#N 1626a_100020586998_100051588842 [0,0,0,0,0,0|3,0,1]=4 82 B8R0.1 C=CCNC(=O)CC#N 240690a_100020586998_100051588842 [0,0,0,0,0,0|3,0,1]=4 83 B8R0.1 C=CCNC(=O)CC=C 1626a_100020586998_100000210193 [0,0,0,0,0,0|2,0,2]=4 84 B8R0.1 C=CCNC(=O)CC=C 240690a_100020586998_100000210193 [0,0,0,0,0,0|2,0,2]=4 85 B8R0.1 C=CCNC(=O)CC=C 527a_100020586998_100000210193 [0,0,0,0,0,0|2,0,2]=4 86 B8R0.1 C=CCNC(=O)CCC 1626a_100020586998_100000211992 [0,0,0,0,0,0|2,0,0]=2 87 B8R0.1 C=CCNC(=O)CCC 240690a_100020586998_100000211992 [0,0,0,0,0,0|2,0,0]=2 88 B8R0.1 C=CCNC(=O)CCC 527a_100020586998_100000211992 [0,0,0,0,0,0|2,0,0]=2 89 B8R0.1 C=CCNC(=O)CCO 240690a_100020586998_100011216618 [0,0,0,0,0,0|3,0,0]=3 90 B8R0.1 C=CCNC(=O)CNC 2230a_106832991635_100000183597 [0,0,0,0,0,0|3,0,0]=3 91 B8R0.1 C=CCNC(=O)CNC 7a_106832991635_100000183597 [0,0,0,0,0,0|3,0,0]=3 92 B8R0.1 C=CCNC(=O)COC 1626a_100020586998_100000210968 [0,0,0,0,0,0|3,0,0]=3 93 B8R0.1 C=CCNC(=O)COC 240690a_100020586998_100000210968 [0,0,0,0,0,0|3,0,0]=3 94 B8R0.1 C=CCNC(=O)COC 527a_100020586998_100000210968 [0,0,0,0,0,0|3,0,0]=3 95 B8R0.1 C=CCNC(=O)CSC 1626a_100020586998_100000184570 [0,0,0,0,0,0|3,0,0]=3 96 B8R0.1 C=CCNC(=O)CSC 240690a_100020586998_100000184570 [0,0,0,0,0,0|3,0,0]=3 97 B8R0.1 C=CCNC(=O)CSC 527a_100020586998_100000184570 [0,0,0,0,0,0|3,0,0]=3 98 B8R0.1 C=CCNC(=O)CSC 62a_100000183597_200000210301 [0,0,0,0,0,0|3,0,0]=3 99 B8R0.1 C=CCNC(=O)CSC 62a_200000210301_100000183597 [0,0,0,0,0,0|3,0,0]=3 100 B8R0.1 C=CCNC(=O)CS[13CH3] 62a_100000183597_200025704644 [0,0,0,0,0,0|3,0,0]=3 101 B8R0.1 C=CCNC(=O)CS[13CH3] 62a_200025704644_100000183597 [0,0,0,0,0,0|3,0,0]=3 102 B8R0.1 C=CCNC(=O)NCC 2708a_100015525214_100020586998 [0,0,0,0,0,0|2,0,0]=2 103 B8R0.1 C=CCNC(=O)NCC 273464a_100015525214_100020586998 [0,0,0,0,0,0|2,0,0]=2 104 B8R0.1 C=CCNC(=O)NCC 273464a_100020586998_100015525214 [0,0,0,0,0,0|2,0,0]=2 105 B8R0.1 C=CCNC(=O)NCC 512a_100015525214_100020586998 [0,0,0,0,0,0|2,0,0]=2 106 B8R0.1 C=CCNC(=O)NCC 512a_100020586998_100015525214 [0,0,0,0,0,0|2,0,0]=2 107 B8R0.1 C=CCNC(=O)NNC 273464a_100020586998_100016993582 [0,0,0,0,0,0|3,0,0]=3 108 B8R0.1 C=CCNC(=O)NNC 512a_100016993582_100020586998 [0,0,0,0,0,0|3,0,0]=3 109 B8R0.1 C=CCNC(=O)NNC 512a_100020586998_100016993582 [0,0,0,0,0,0|3,0,0]=3 110 B8R0.1 C=CCNC(C)CCC 2230a_100000741246_100000210623 [0,0,0,0,0,0|3,0,1]=4 111 B8R0.1 C=CCNC(C)CCC 2230a_100020586998_100000766640 [0,0,0,0,0,0|3,0,1]=4 112 B8R0.1 C=CCNC(C)CCC 270004a_100020586998_100000211909 [0,0,0,0,0,0|3,0,1]=4 113 B8R0.1 C=CCOC(=O)CNC 2230a_106832991635_100000033060 [0,0,0,0,0,0|3,0,0]=3 114 B8R0.1 C=CCOC(=O)CNC 34a_100102657272_100000033060 [0,0,0,0,0,0|3,0,0]=3 115 B8R0.1 C=CCOC(=O)CNC 7a_106832991635_100000033060 [0,0,0,0,0,0|3,0,0]=3 116 B8R0.1 C=CCOC(=O)COC 34a_100138415774_100000033060 [0,0,0,0,0,0|3,0,0]=3 117 B8R0.1 C=CCOC(=O)CSC 62a_100000033060_200000210301 [0,0,0,0,0,0|3,0,0]=3 118 B8R0.1 C=CCOC(=O)CSC 62a_200000210301_100000033060 [0,0,0,0,0,0|3,0,0]=3 119 B8R0.1 C=CCOC(=O)CS[13CH3] 62a_100000033060_200025704644 [0,0,0,0,0,0|3,0,0]=3 120 B8R0.1 C=CCOC(=O)CS[13CH3] 62a_200025704644_100000033060 [0,0,0,0,0,0|3,0,0]=3 121 B8R0.1 C=CCOC(C)CCC 34a_100000764384_100015514636 [0,0,0,0,0,0|3,0,1]=4 122 B8R0.1 C=CCOC(C)CCC 34a_200000210373_100000766640 [0,0,0,0,0,0|3,0,1]=4 123 B8R0.1 C=CCOC(C)CCC 7a_100000764384_100015514636 [0,0,0,0,0,0|3,0,1]=4 124 B8R0.1 C=CCSC(C)CCC 62a_100000210623_100000766640 [0,0,0,0,0,0|3,0,1]=4 125 B8R0.1 C=CCSC(C)CCC 62a_100000766640_100000210623 [0,0,0,0,0,0|3,0,1]=4 126 B8R0.1 CC#CC(=O)C/C=C/C 1458a_100000763181_100102629194 [0,0,0,0,0,0|1,0,3]=4 127 B8R0.1 CC#CC(=O)CC=CC 1458a_100000763181_100000070051 [0,0,0,0,0,0|1,0,3]=4 128 B8R0.1 CC#CC(=O)CCC#N 1458a_100000763181_100011215226 [0,0,0,0,0,0|2,0,2]=4 129 B8R0.1 CC#CC(=O)CCCC 1458a_100000763181_100000210211 [0,0,0,0,0,0|1,0,3]=4 130 B8R0.1 CC#CC(=O)CCCF 1458a_100000763181_100011934791 [0,0,0,0,0,0|2,0,2]=4 131 B8R0.1 CC#CC(=O)CCCO 1458a_100000763181_100011215043 [0,0,0,0,0,0|2,0,2]=4 132 B8R0.1 CC#CC(=O)CCOC 1458a_100000763181_100000233755 [0,0,0,0,0,0|2,0,2]=4 133 B8R0.1 CC#CC(=O)CCSC 1458a_100000763181_100000751147 [0,0,0,0,0,0|2,0,2]=4 134 B8R0.1 CC#CCC(=O)CCC 1458a_100000211992_100000748600 [0,0,0,0,0,0|1,0,3]=4 135 B8R0.1 CC=CC(=O)C/C=C/C 1458a_100000210699_100102629194 [0,0,0,0,0,0|1,0,3]=4 136 B8R0.1 CC=CC(=O)CCC#N 1458a_100000210699_100011215226 [0,0,0,0,0,0|2,0,2]=4 137 B8R0.1 CC=CC(=O)CCCC 1458a_100000210699_100000210211 [0,0,0,0,0,0|1,0,3]=4 138 B8R0.1 CC=CC(=O)CCCF 1458a_100000210699_100011934791 [0,0,0,0,0,0|2,0,2]=4 139 B8R0.1 CC=CC(=O)CCCO 1458a_100000210699_100011215043 [0,0,0,0,0,0|2,0,2]=4 140 B8R0.1 CC=CC(=O)CCOC 1458a_100000210699_100000233755 [0,0,0,0,0,0|2,0,2]=4 141 B8R0.1 CC=CC(=O)CCSC 1458a_100000210699_100000751147 [0,0,0,0,0,0|2,0,2]=4 142 B8R0.1 CC=CCC(=O)C=CC 1458a_100000210699_100000070051 [0,0,0,0,0,0|1,0,3]=4 143 B8R0.1 CC=CCC(=O)CCC 1458a_100000211992_100000070051 [0,0,0,0,0,0|1,0,2]=3 144 B8R0.1 CC=CCC(=O)CCC 1458a_100121576822_100000210303 [0,0,0,0,0,0|1,0,2]=3 145 B8R0.1 CC=CCC(=O)CCF 1458a_100121576822_100011217306 [0,0,0,0,0,0|2,0,2]=4 146 B8R0.1 CC=CCC(=O)CCO 1458a_100011216618_100000070051 [0,0,0,0,0,0|2,0,2]=4 147 B8R0.1 CC=CCC(=O)CCO 1458a_100121576822_100000211926 [0,0,0,0,0,0|2,0,2]=4 148 B8R0.1 CC=CCC(=O)COC 1458a_100000210968_100000070051 [0,0,0,0,0,0|2,0,2]=4 149 B8R0.1 CC=CCC(=O)CSC 1458a_100000184570_100000070051 [0,0,0,0,0,0|2,0,2]=4 150 B8R0.1 CC=CCC(=O)NCC 11a_100015525214_100121576822 [0,0,0,0,0,0|1,0,2]=3 151 B8R0.1 CC=CCC(=O)NCC 240690a_100015525214_100121576822 [0,0,0,0,0,0|1,0,2]=3 152 B8R0.1 CC=CCC(=O)NCC 527a_100015525214_100121576822 [0,0,0,0,0,0|1,0,2]=3 153 B8R0.1 CC=CCC(=O)NNC 22a_100016993582_100121576822 [0,0,0,0,0,0|2,0,2]=4 154 B8R0.1 CC=NNC(=O)CCC 4a_100000189770_200000210099 [0,0,0,0,0,0|3,0,1]=4 155 B8R0.1 CCCC(=O)CCC#N 1458a_100000211992_100011215226 [0,0,0,0,0,0|2,0,1]=3 156 B8R0.1 CCCC(=O)CCC#N 1458a_100011934036_100000210303 [0,0,0,0,0,0|2,0,1]=3 157 B8R0.1 CCCC(=O)CCCF 1458a_100000211992_100011934791 [0,0,0,0,0,0|2,0,1]=3 158 B8R0.1 CCCC(=O)CCCO 1458a_100000211992_100011215043 [0,0,0,0,0,0|2,0,1]=3 159 B8R0.1 CCCC(=O)CCOC 1458a_100000211992_100000233755 [0,0,0,0,0,0|2,0,1]=3 160 B8R0.1 CCCC(=O)CCOC 1458a_100000749529_100000210303 [0,0,0,0,0,0|2,0,1]=3 161 B8R0.1 CCCC(=O)CCSC 1458a_100000174002_100000210303 [0,0,0,0,0,0|2,0,1]=3 162 B8R0.1 CCCC(=O)CCSC 1458a_100000211992_100000751147 [0,0,0,0,0,0|2,0,1]=3 163 B8R0.1 CCCC(=O)CNCC 2230a_100015525214_100000747444 [0,0,0,0,0,0|2,0,2]=4 164 B8R0.1 CCCC(=O)COCC 1458a_100000211967_100000210303 [0,0,0,0,0,0|2,0,2]=4 165 B8R0.1 CCCC(=O)CSCC 1458a_100000230394_100000210303 [0,0,0,0,0,0|2,0,2]=4 166 B8R0.1 CCCC(=O)CSCC 62a_100000210202_100000747444 [0,0,0,0,0,0|2,0,2]=4 167 B8R0.1 CCCC(=O)CSCC 62a_100000747444_100000210202 [0,0,0,0,0,0|2,0,2]=4 168 B8R0.1 CCCC(=O)CSCF 62a_100000747444_100015361967 [0,0,0,0,0,0|3,0,1]=4 169 B8R0.1 CCCC(=O)CSCF 62a_100015361967_100000747444 [0,0,0,0,0,0|3,0,1]=4 170 B8R0.1 CCCC(=O)NCC#N 1626a_100000734998_100000211992 [0,0,0,0,0,0|3,0,1]=4 171 B8R0.1 CCCC(=O)NCC#N 527a_100000734998_100000211992 [0,0,0,0,0,0|3,0,1]=4 172 B8R0.1 CCCC(=O)NCCF 11a_100000724931_100000211992 [0,0,0,0,0,0|3,0,1]=4 173 B8R0.1 CCCC(=O)NCCF 1626a_100000724931_100000211992 [0,0,0,0,0,0|3,0,1]=4 174 B8R0.1 CCCC(=O)NCCF 240690a_100000724931_100000211992 [0,0,0,0,0,0|3,0,1]=4 175 B8R0.1 CCCC(=O)NCCF 527a_100000724931_100000211992 [0,0,0,0,0,0|3,0,1]=4 176 B8R0.1 CCCC(=O)NCCO 240690a_100000210304_100000211992 [0,0,0,0,0,0|3,0,1]=4 177 B8R0.1 CCCC(=O)NCCO 527a_100000210304_100000211992 [0,0,0,0,0,0|3,0,1]=4 178 B8R0.1 CCCC(=O)OCNC 2230a_106832991635_100000034017 [0,0,0,0,0,0|3,0,1]=4 179 B8R0.1 CCCC(=O)OCNC 34a_100102657272_100000034017 [0,0,0,0,0,0|3,0,1]=4 180 B8R0.1 CCCC(=O)OCOC 34a_100138415774_100000034017 [0,0,0,0,0,0|3,0,1]=4 181 B8R0.1 CCCC(=O)OCSC 62a_200000210301_100000034017 [0,0,0,0,0,0|3,0,1]=4 182 B8R0.1 CCCC(=O)OCS[13CH3] 62a_200025704644_100000034017 [0,0,0,0,0,0|3,0,1]=4 183 B8R0.1 CCCCC(=O)CCC 1458a_100000210183_100000210303 [0,0,0,0,0,0|1,0,2]=3 184 B8R0.1 CCCCC(=O)CCC 1458a_100000211992_100000210211 [0,0,0,0,0,0|1,0,2]=3 185 B8R0.1 CCCCC(=O)CCF 1458a_100000210183_100011217306 [0,0,0,0,0,0|2,0,2]=4 186 B8R0.1 CCCCC(=O)CCO 1458a_100000210183_100000211926 [0,0,0,0,0,0|2,0,2]=4 187 B8R0.1 CCCCC(=O)CCO 1458a_100011216618_100000210211 [0,0,0,0,0,0|2,0,2]=4 188 B8R0.1 CCCCC(=O)COC 1458a_100000210968_100000210211 [0,0,0,0,0,0|2,0,2]=4 189 B8R0.1 CCCCC(=O)CSC 1458a_100000184570_100000210211 [0,0,0,0,0,0|2,0,2]=4 190 B8R0.1 CCCCC(=O)NCC 11a_100015525214_100000210183 [0,0,0,0,0,0|1,0,2]=3 191 B8R0.1 CCCCC(=O)NCC 240690a_100015525214_100000210183 [0,0,0,0,0,0|1,0,2]=3 192 B8R0.1 CCCCC(=O)NCC 527a_100015525214_100000210183 [0,0,0,0,0,0|1,0,2]=3 193 B8R0.1 CCCCC(=O)NNC 22a_100016993582_100000210183 [0,0,0,0,0,0|2,0,2]=4 194 B8R0.1 CCCCC(C)OCC 34a_100000687866_100000210202 [0,0,0,0,0,0|1,0,3]=4 195 B8R0.1 CCCCC(C)OCC 34a_100121572206_200011215066 [0,0,0,0,0,0|1,0,3]=4 196 B8R0.1 CCCCC(C)OCC 7a_100000687866_100000210202 [0,0,0,0,0,0|1,0,3]=4 197 B8R0.1 CCCNC(=O)CCC 11a_100020643023_100000211992 [0,0,0,0,0,0|2,0,2]=4 198 B8R0.1 CCCNC(=O)CCC 1626a_100020643023_100000211992 [0,0,0,0,0,0|2,0,2]=4 199 B8R0.1 CCCNC(=O)CCC 240690a_100020643023_100000211992 [0,0,0,0,0,0|2,0,2]=4 200 B8R0.1 CCCNC(=O)CCC 527a_100020643023_100000211992 [0,0,0,0,0,0|2,0,2]=4 201 B8R0.1 CCCNC(=O)NCC 2708a_100015525214_100020643023 [0,0,0,0,0,0|2,0,2]=4 202 B8R0.1 CCCNC(=O)NCC 2708a_100020643023_100015525214 [0,0,0,0,0,0|2,0,2]=4 203 B8R0.1 CCCNC(=O)NCC 273464a_100015525214_100020643023 [0,0,0,0,0,0|2,0,2]=4 204 B8R0.1 CCCNC(=O)NCC 273464a_100020643023_100015525214 [0,0,0,0,0,0|2,0,2]=4 205 B8R0.1 CCCNC(=O)NCC 512a_100015525214_100020643023 [0,0,0,0,0,0|2,0,2]=4 206 B8R0.1 CCCNC(=O)NCC 512a_100020643023_100015525214 [0,0,0,0,0,0|2,0,2]=4 207 B8R0.1 CCNC(=O)CCC#N 11a_100015525214_100011934036 [0,0,0,0,0,0|2,0,1]=3 208 B8R0.1 CCNC(=O)CCC#N 240690a_100015525214_100011934036 [0,0,0,0,0,0|2,0,1]=3 209 B8R0.1 CCNC(=O)CCC#N 527a_100015525214_100011934036 [0,0,0,0,0,0|2,0,1]=3 210 B8R0.1 CCNC(=O)CCNC 2230a_106832991635_100000737597 [0,0,0,0,0,0|2,0,1]=3 211 B8R0.1 CCNC(=O)CCNC 34a_100025743525_200000210301 [0,0,0,0,0,0|2,0,1]=3 212 B8R0.1 CCNC(=O)CCNC 7a_106832991635_100000737597 [0,0,0,0,0,0|2,0,1]=3 213 B8R0.1 CCNC(=O)CCN[13CH3] 34a_100025743525_200025704644 [0,0,0,0,0,0|2,0,1]=3 214 B8R0.1 CCNC(=O)CCOC 11a_100015525214_100000749529 [0,0,0,0,0,0|2,0,1]=3 215 B8R0.1 CCNC(=O)CCOC 240690a_100015525214_100000749529 [0,0,0,0,0,0|2,0,1]=3 216 B8R0.1 CCNC(=O)CCOC 527a_100015525214_100000749529 [0,0,0,0,0,0|2,0,1]=3 217 B8R0.1 CCNC(=O)CCSC 11a_100015525214_100000174002 [0,0,0,0,0,0|2,0,1]=3 218 B8R0.1 CCNC(=O)CCSC 240690a_100015525214_100000174002 [0,0,0,0,0,0|2,0,1]=3 219 B8R0.1 CCNC(=O)CCSC 527a_100015525214_100000174002 [0,0,0,0,0,0|2,0,1]=3 220 B8R0.1 CCNC(=O)CCSC 62a_100000737597_200000210301 [0,0,0,0,0,0|2,0,1]=3 221 B8R0.1 CCNC(=O)CCSC 62a_200000210301_100000737597 [0,0,0,0,0,0|2,0,1]=3 222 B8R0.1 CCNC(=O)CCS[13CH3] 62a_100000737597_200025704644 [0,0,0,0,0,0|2,0,1]=3 223 B8R0.1 CCNC(=O)CCS[13CH3] 62a_200025704644_100000737597 [0,0,0,0,0,0|2,0,1]=3 224 B8R0.1 CCNC(=O)CN=[N+]=[N-] 11a_100015525214_100000751907 [0,0,0,0,0,0|4,0,0]=4 225 B8R0.1 CCNC(=O)CN=[N+]=[N-] 240690a_100015525214_100000751907 [0,0,0,0,0,0|4,0,0]=4 226 B8R0.1 CCNC(=O)COCC 11a_100015525214_100000211967 [0,0,0,0,0,0|2,0,2]=4 227 B8R0.1 CCNC(=O)COCC 240690a_100015525214_100000211967 [0,0,0,0,0,0|2,0,2]=4 228 B8R0.1 CCNC(=O)COCC 34a_100121572206_100000183381 [0,0,0,0,0,0|2,0,2]=4 229 B8R0.1 CCNC(=O)COCC 527a_100015525214_100000211967 [0,0,0,0,0,0|2,0,2]=4 230 B8R0.1 CCNC(=O)CSCC 11a_100015525214_100000230394 [0,0,0,0,0,0|2,0,2]=4 231 B8R0.1 CCNC(=O)CSCC 240690a_100015525214_100000230394 [0,0,0,0,0,0|2,0,2]=4 232 B8R0.1 CCNC(=O)CSCC 527a_100015525214_100000230394 [0,0,0,0,0,0|2,0,2]=4 233 B8R0.1 CCNC(=O)CSCC 62a_100000183381_100000210202 [0,0,0,0,0,0|2,0,2]=4 234 B8R0.1 CCNC(=O)CSCC 62a_100000210202_100000183381 [0,0,0,0,0,0|2,0,2]=4 235 B8R0.1 CCNC(=O)CSCF 62a_100000183381_100015361967 [0,0,0,0,0,0|3,0,1]=4 236 B8R0.1 CCNC(=O)CSCF 62a_100015361967_100000183381 [0,0,0,0,0,0|3,0,1]=4 237 B8R0.1 CCNC(=O)NCC#N 2708a_100000734998_100015525214 [0,0,0,0,0,0|3,0,1]=4 238 B8R0.1 CCNC(=O)NCC#N 273464a_100000734998_100015525214 [0,0,0,0,0,0|3,0,1]=4 239 B8R0.1 CCNC(=O)NCC#N 273464a_100015525214_100000734998 [0,0,0,0,0,0|3,0,1]=4 240 B8R0.1 CCNC(=O)NCC#N 512a_100000734998_100015525214 [0,0,0,0,0,0|3,0,1]=4 241 B8R0.1 CCNC(=O)NCC#N 512a_100015525214_100000734998 [0,0,0,0,0,0|3,0,1]=4 242 B8R0.1 CCNC(=O)NCCF 2708a_100015525214_100000724931 [0,0,0,0,0,0|3,0,1]=4 243 B8R0.1 CCNC(=O)NCCF 273464a_100000724931_100015525214 [0,0,0,0,0,0|3,0,1]=4 244 B8R0.1 CCNC(=O)NCCF 273464a_100015525214_100000724931 [0,0,0,0,0,0|3,0,1]=4 245 B8R0.1 CCNC(=O)NCCF 512a_100015525214_100000724931 [0,0,0,0,0,0|3,0,1]=4 246 B8R0.1 CCNC(=O)NCCO 2708a_100015525214_100000210304 [0,0,0,0,0,0|3,0,1]=4 247 B8R0.1 CCNC(=O)NCCO 273464a_100000210304_100015525214 [0,0,0,0,0,0|3,0,1]=4 248 B8R0.1 CCNC(=O)NCCO 273464a_100015525214_100000210304 [0,0,0,0,0,0|3,0,1]=4 249 B8R0.1 CCNC(=O)NCCO 512a_100015525214_100000210304 [0,0,0,0,0,0|3,0,1]=4 250 B8R0.1 CCNCC(=O)NCC 2230a_100015525214_100000183381 [0,0,0,0,0,0|2,0,2]=4 251 B8R0.1 CCNCC(=O)NCC 2230a_100016988866_100000210202 [0,0,0,0,0,0|2,0,2]=4 252 B8R0.1 CCNCC(=O)OCC 2230a_100015525214_100000188475 [0,0,0,0,0,0|1,0,2]=3 253 B8R0.1 CCOC(=O)CCNC 2230a_106832991635_100011206558 [0,0,0,0,0,0|1,0,1]=2 254 B8R0.1 CCOC(=O)CCNC 34a_100102657272_100000765890 [0,0,0,0,0,0|1,0,1]=2 255 B8R0.1 CCOC(=O)CCNC 7a_106832991635_100011206558 [0,0,0,0,0,0|1,0,1]=2 256 B8R0.1 CCOC(=O)CCOC 34a_100138415774_100000765890 [0,0,0,0,0,0|1,0,1]=2 257 B8R0.1 CCOC(=O)CCSC 62a_100000765890_200000210301 [0,0,0,0,0,0|1,0,1]=2 258 B8R0.1 CCOC(=O)CCSC 62a_200000210301_100000765890 [0,0,0,0,0,0|1,0,1]=2 259 B8R0.1 CCOC(=O)CCS[13CH3] 62a_100000765890_200025704644 [0,0,0,0,0,0|1,0,1]=2 260 B8R0.1 CCOC(=O)CCS[13CH3] 62a_200025704644_100000765890 [0,0,0,0,0,0|1,0,1]=2 261 B8R0.1 CCOC(=O)CSCC 62a_100000188475_100000210202 [0,0,0,0,0,0|1,0,2]=3 262 B8R0.1 CCOC(=O)CSCC 62a_100000210202_100000188475 [0,0,0,0,0,0|1,0,2]=3 263 B8R0.1 CCOC(=O)CSCF 62a_100000188475_100015361967 [0,0,0,0,0,0|2,0,1]=3 264 B8R0.1 CCOC(=O)CSCF 62a_100015361967_100000188475 [0,0,0,0,0,0|2,0,1]=3 265 B8R0.1 CCOC(=O)OCSC 62a_200000210301_100000075025 [0,0,0,0,0,0|2,0,1]=3 266 B8R0.1 CCOC(=O)OCS[13CH3] 62a_200025704644_100000075025 [0,0,0,0,0,0|2,0,1]=3 267 B8R0.1 CCOC(C)CCCCl 34a_200000718107_100000210202 [0,0,0,0,0,0|2,0,2]=4 268 B8R0.1 CCOC(C)CCCCl 7a_200000718107_100000210202 [0,0,0,0,0,0|2,0,2]=4 269 B8R0.1 CCOCC(=O)OCC 34a_100121572206_100000188475 [0,0,0,0,0,0|1,0,2]=3 270 B8R0.1 CNNC(=O)CCC#N 22a_100016993582_100011934036 [0,0,0,0,0,0|3,0,1]=4 271 B8R0.1 CNNC(=O)CCOC 22a_100016993582_100000749529 [0,0,0,0,0,0|3,0,1]=4 272 B8R0.1 CNNC(=O)CCSC 22a_100016993582_100000174002 [0,0,0,0,0,0|3,0,1]=4 273 B8R0.1 COCC(=O)CCC#N 1458a_100000210968_100011215226 [0,0,0,0,0,0|3,0,1]=4 274 B8R0.1 COCC(=O)CCCF 1458a_100000210968_100011934791 [0,0,0,0,0,0|3,0,1]=4 275 B8R0.1 COCC(=O)CCCO 1458a_100000210968_100011215043 [0,0,0,0,0,0|3,0,1]=4 276 B8R0.1 COCC(=O)CCSC 1458a_100000210968_100000751147 [0,0,0,0,0,0|3,0,1]=4 277 B8R0.1 COCCC(=O)CCF 1458a_100000749529_100011217306 [0,0,0,0,0,0|3,0,1]=4 278 B8R0.1 COCCC(=O)CCO 1458a_100000749529_100000211926 [0,0,0,0,0,0|3,0,1]=4 279 B8R0.1 COCCC(=O)CCO 1458a_100011216618_100000233755 [0,0,0,0,0,0|3,0,1]=4 280 B8R0.1 COCCC(=O)COC 1458a_100000210968_100000233755 [0,0,0,0,0,0|3,0,1]=4 281 B8R0.1 COCCC(=O)CSC 1458a_100000184570_100000233755 [0,0,0,0,0,0|3,0,1]=4 282 B8R0.1 CSCC(=O)CCC#N 1458a_100000184570_100011215226 [0,0,0,0,0,0|3,0,1]=4 283 B8R0.1 CSCC(=O)CCCF 1458a_100000184570_100011934791 [0,0,0,0,0,0|3,0,1]=4 284 B8R0.1 CSCC(=O)CCCO 1458a_100000184570_100011215043 [0,0,0,0,0,0|3,0,1]=4 285 B8R0.1 CSCCC(=O)CCF 1458a_100000174002_100011217306 [0,0,0,0,0,0|3,0,1]=4 286 B8R0.1 CSCCC(=O)CCO 1458a_100000174002_100000211926 [0,0,0,0,0,0|3,0,1]=4 287 B8R0.1 CSCCC(=O)CCO 1458a_100011216618_100000751147 [0,0,0,0,0,0|3,0,1]=4 288 B8R0.1 CSCCC(=O)CSC 1458a_100000184570_100000751147 [0,0,0,0,0,0|3,0,1]=4 289 B8R0.1 N#CCCC(=O)CCF 1458a_100011934036_100011217306 [0,0,0,0,0,0|3,0,1]=4 290 B8R0.1 N#CCCC(=O)CCO 1458a_100011216618_100011215226 [0,0,0,0,0,0|3,0,1]=4 291 B8R0.1 N#CCCC(=O)CCO 1458a_100011934036_100000211926 [0,0,0,0,0,0|3,0,1]=4 292 B8R0.1 O=C(CCO)CCCF 1458a_100011216618_100011934791 [0,0,0,0,0,0|3,0,1]=4 293 B8R0.1 O=C(CCO)CCCO 1458a_100011216618_100011215043 [0,0,0,0,0,0|3,0,1]=4 294 B7R0.1 C#CCCCOCC 34a_100000215630_100000210202 [1,0,0,0,0,0|0,0,3]=4 295 B7R0.1 C#CCCCOCC 34a_100121572206_100000695029 [1,0,0,0,0,0|0,0,3]=4 296 B7R0.1 C#CCCCOCC 7a_100000215630_100000210202 [1,0,0,0,0,0|0,0,3]=4 297 B7R0.1 C/C=C/CCOCC 34a_100016278192_100000210202 [1,0,0,0,0,0|0,0,3]=4 298 B7R0.1 C=CCCCCNC 2230a_100000703577_200000210301 [1,0,0,0,0,0|2,0,1]=4 299 B7R0.1 C=CCCCCNC 2230a_106832991635_100011215482 [1,0,0,0,0,0|2,0,1]=4 300 B7R0.1 C=CCCCCNC 34a_100000703577_200000210301 [1,0,0,0,0,0|2,0,1]=4 301 B7R0.1 C=CCCCCNC 34a_100102657272_100011215482 [1,0,0,0,0,0|2,0,1]=4 302 B7R0.1 C=CCCCCNC 7a_106832991635_100011215482 [1,0,0,0,0,0|2,0,1]=4 303 B7R0.1 C=CCCCCN[13CH3] 2230a_100000703577_200025704644 [1,0,0,0,0,0|2,0,1]=4 304 B7R0.1 C=CCCCCN[13CH3] 34a_100000703577_200025704644 [1,0,0,0,0,0|2,0,1]=4 305 B7R0.1 C=CCCCCOC 34a_100000766645_200000210301 [1,0,0,0,0,0|2,0,1]=4 306 B7R0.1 C=CCCCCOC 34a_100138415774_100011215482 [1,0,0,0,0,0|2,0,1]=4 307 B7R0.1 C=CCCCCOC 7a_100000766645_200000210301 [1,0,0,0,0,0|2,0,1]=4 308 B7R0.1 C=CCCCCO[13CH3] 34a_100000766645_200025704644 [1,0,0,0,0,0|2,0,1]=4 309 B7R0.1 C=CCCCCO[13CH3] 7a_100000766645_200025704644 [1,0,0,0,0,0|2,0,1]=4 310 B7R0.1 C=CCCCCSC 62a_100011215482_200000210301 [1,0,0,0,0,0|2,0,1]=4 311 B7R0.1 C=CCCCCSC 62a_200000210301_100011215482 [1,0,0,0,0,0|2,0,1]=4 312 B7R0.1 C=CCCCCS[13CH3] 62a_100011215482_200025704644 [1,0,0,0,0,0|2,0,1]=4 313 B7R0.1 C=CCCCCS[13CH3] 62a_200025704644_100011215482 [1,0,0,0,0,0|2,0,1]=4 314 B7R0.1 C=CCCCNCC 2230a_100000700776_100000210202 [1,0,0,0,0,0|1,0,1]=3 315 B7R0.1 C=CCCCNCC 2230a_100015525214_100011713584 [1,0,0,0,0,0|1,0,1]=3 316 B7R0.1 C=CCCCNCC 34a_100000700776_100000210202 [1,0,0,0,0,0|1,0,1]=3 317 B7R0.1 C=CCCCNCF 34a_100000700776_100015361967 [1,0,0,0,0,0|2,0,1]=4 318 B7R0.1 C=CCCCOCC 34a_100000758997_100000210202 [1,0,0,0,0,0|0,0,1]=2 319 B7R0.1 C=CCCCOCC 34a_100121572206_100000757094 [1,0,0,0,0,0|0,0,1]=2 320 B7R0.1 C=CCCCOCC 7a_100000758997_100000210202 [1,0,0,0,0,0|0,0,1]=2 321 B7R0.1 C=CCCCOCF 34a_100000758997_100015361967 [1,0,0,0,0,0|1,0,1]=3 322 B7R0.1 C=CCCCOCF 7a_100000758997_100015361967 [1,0,0,0,0,0|1,0,1]=3 323 B7R0.1 C=CCCCSCC 62a_100000210202_100000757094 [1,0,0,0,0,0|0,1,1]=3 324 B7R0.1 C=CCCCSCC 62a_100011713584_100000210202 [1,0,0,0,0,0|0,1,1]=3 325 B7R0.1 C=CCCCSCF 62a_100011713584_100015361967 [1,0,0,0,0,0|1,1,1]=4 326 B7R0.1 C=CCCCSCF 62a_100015361967_100000757094 [1,0,0,0,0,0|1,1,1]=4 327 B7R0.1 C=CCCNCCC 2230a_100015191253_100000210303 [1,0,0,0,0,0|2,0,0]=3 328 B7R0.1 C=CCCNCCF 2230a_100015191253_100011217306 [1,0,0,0,0,0|3,0,0]=4 329 B7R0.1 C=CCCNCCF 34a_100000724931_100000754431 [1,0,0,0,0,0|3,0,0]=4 330 B7R0.1 C=CCCNCCO 2230a_100015191253_100000211926 [1,0,0,0,0,0|3,0,0]=4 331 B7R0.1 C=CCCNCCO 2230a_100016997473_100000754431 [1,0,0,0,0,0|3,0,0]=4 332 B7R0.1 C=CCCNCCO 34a_100016990907_100000754431 [1,0,0,0,0,0|3,0,0]=4 333 B7R0.1 C=CCCNCOC 2230a_100015191253_100000766300 [1,0,0,0,0,0|3,0,0]=4 334 B7R0.1 C=CCCNCSC 2230a_100015191253_100011218213 [1,0,0,0,0,0|3,0,0]=4 335 B7R0.1 C=CCCOCCBr 34a_100000211926_100000754431 [1,0,0,0,0,0|3,0,0]=4 336 B7R0.1 C=CCCOCCC 34a_100000210258_100000754431 [1,0,0,0,0,0|2,0,0]=3 337 B7R0.1 C=CCCOCCC 34a_100011205117_100000210303 [1,0,0,0,0,0|2,0,0]=3 338 B7R0.1 C=CCCOCCF 34a_100011205117_100011217306 [1,0,0,0,0,0|3,0,0]=4 339 B7R0.1 C=CCCOCCN 34a_100000210304_100000754431 [1,0,0,0,0,0|3,0,0]=4 340 B7R0.1 C=CCCOCCO 34a_100011205117_100000211926 [1,0,0,0,0,0|3,0,0]=4 341 B7R0.1 C=CCCOCSC 34a_100011205117_100011218213 [1,0,0,0,0,0|3,0,0]=4 342 B7R0.1 C=CCCSCCC 62a_100000210303_100000754431 [1,0,0,0,0,0|2,0,0]=3 343 B7R0.1 C=CCCSCCC 62a_100000754431_100000210303 [1,0,0,0,0,0|2,0,0]=3 344 B7R0.1 C=CCCSCCF 62a_100000754431_100011217306 [1,0,0,0,0,0|3,0,0]=4 345 B7R0.1 C=CCCSCCF 62a_100011217306_100000754431 [1,0,0,0,0,0|3,0,0]=4 346 B7R0.1 C=CCCSCCO 62a_100000211926_100000754431 [1,0,0,0,0,0|3,0,0]=4 347 B7R0.1 C=CCCSCCO 62a_100000754431_100000211926 [1,0,0,0,0,0|3,0,0]=4 348 B7R0.1 C=CCCSCOC 62a_100000754431_100000766300 [1,0,0,0,0,0|3,0,0]=4 349 B7R0.1 C=CCCSCOC 62a_100000766300_100000754431 [1,0,0,0,0,0|3,0,0]=4 350 B7R0.1 C=CCCSCSC 62a_100000754431_100011218213 [1,0,0,0,0,0|3,0,0]=4 351 B7R0.1 C=CCCSCSC 62a_100011218213_100000754431 [1,0,0,0,0,0|3,0,0]=4 352 B7R0.1 C=CCNCCCC 2230a_100000102301_100000210623 [1,0,0,0,0,0|2,0,1]=4 353 B7R0.1 C=CCNCCCC 2230a_100020586998_100000210211 [1,0,0,0,0,0|2,0,1]=4 354 B7R0.1 C=CCNCCCC 7a_106832991798_100015514636 [1,0,0,0,0,0|2,0,1]=4 355 B7R0.1 C=CCOCCCC 34a_100000210227_100015514636 [1,0,0,0,0,0|2,0,1]=4 356 B7R0.1 C=CCOCCCC 34a_200000210373_100000210210 [1,0,0,0,0,0|2,0,1]=4 357 B7R0.1 C=CCOCCCC 7a_100000210227_100015514636 [1,0,0,0,0,0|2,0,1]=4 358 B7R0.1 C=CCSCCCC 62a_100000210211_100000210623 [1,0,0,0,0,0|2,0,1]=4 359 B7R0.1 C=CCSCCCC 62a_100000210623_100000210210 [1,0,0,0,0,0|2,0,1]=4 360 B7R0.1 C=CCSCOCC 62a_100000210623_100000739092 [1,0,0,0,0,0|1,0,1]=3 361 B7R0.1 C=CCSCOCC 62a_100000739092_100000210623 [1,0,0,0,0,0|1,0,1]=3 362 B7R0.1 C=COCCNCC 2230a_100015525214_100000039644 [1,0,0,0,0,0|2,0,1]=4 363 B7R0.1 C=COCCOCC 34a_100000033082_100000210202 [1,0,0,0,0,0|1,0,1]=3 364 B7R0.1 C=COCCOCC 34a_100121572206_100000039644 [1,0,0,0,0,0|1,0,1]=3 365 B7R0.1 C=COCCOCF 34a_100000033082_100015361967 [1,0,0,0,0,0|2,0,1]=4 366 B7R0.1 C=COCCSCC 62a_100000039644_100000210202 [1,0,0,0,0,0|1,1,1]=4 367 B7R0.1 C=COCCSCC 62a_100000210202_100000039644 [1,0,0,0,0,0|1,1,1]=4 368 B7R0.1 CC/C=C\CCNC 2230a_106832991635_100015370543 [1,0,0,0,0,0|2,0,1]=4 369 B7R0.1 CC/C=C\CCNC 34a_100102657272_100015370543 [1,0,0,0,0,0|2,0,1]=4 370 B7R0.1 CC/C=C\CCNC 7a_106832991635_100015370543 [1,0,0,0,0,0|2,0,1]=4 371 B7R0.1 CC/C=C\CCOC 34a_100016288707_200000210301 [1,0,0,0,0,0|2,0,1]=4 372 B7R0.1 CC/C=C\CCOC 34a_100138415774_100015370543 [1,0,0,0,0,0|2,0,1]=4 373 B7R0.1 CC/C=C\CCOC 7a_100016288707_200000210301 [1,0,0,0,0,0|2,0,1]=4 374 B7R0.1 CC/C=C\CCO[13CH3] 34a_100016288707_200025704644 [1,0,0,0,0,0|2,0,1]=4 375 B7R0.1 CC/C=C\CCO[13CH3] 7a_100016288707_200025704644 [1,0,0,0,0,0|2,0,1]=4 376 B7R0.1 CC/C=C\CCSC 62a_100015370543_200000210301 [1,0,0,0,0,0|2,0,1]=4 377 B7R0.1 CC/C=C\CCSC 62a_200000210301_100015370543 [1,0,0,0,0,0|2,0,1]=4 378 B7R0.1 CC/C=C\CCS[13CH3] 62a_100015370543_200025704644 [1,0,0,0,0,0|2,0,1]=4 379 B7R0.1 CC/C=C\CCS[13CH3] 62a_200025704644_100015370543 [1,0,0,0,0,0|2,0,1]=4 380 B7R0.1 CCCCCOCC 34a_100000210253_100000210202 [1,0,0,0,0,0|0,0,3]=4 381 B7R0.1 CCCCCOCC 34a_100121572206_100000718602 [1,0,0,0,0,0|0,0,3]=4 382 B7R0.1 CCCCCOCC 7a_100000210253_100000210202 [1,0,0,0,0,0|0,0,3]=4 383 B7R0.1 CCNCCCC=O 2230a_100015525214_200011292268 [1,0,0,0,0,0|2,0,1]=4 384 B7R0.1 CCOCCCCBr 34a_100011216708_100000210202 [1,0,0,0,0,0|1,0,2]=4 385 B7R0.1 CCOCCCCCl 34a_100000210776_100000210202 [1,0,0,0,0,0|1,0,2]=4 386 B7R0.1 CCOCCCCCl 7a_100000210776_100000210202 [1,0,0,0,0,0|1,0,2]=4 387 B7R0.1 CCOCCCCF 34a_100011995726_100000210202 [1,0,0,0,0,0|1,0,2]=4 388 B7R0.1 CCOCCCCF 34a_100121572206_100000729493 [1,0,0,0,0,0|1,0,2]=4 389 B7R0.1 CCOCCCCF 7a_100011995726_100000210202 [1,0,0,0,0,0|1,0,2]=4 390 B7R0.1 CCOCCCCI 34a_200012148704_100000210202 [1,0,0,0,0,0|1,0,2]=4 391 B7R0.1 CCOCCCCN 34a_100000750430_100000210202 [1,0,0,0,0,0|1,0,2]=4 392 B7R0.1 CCOCCCCO 34a_100121572206_100011216708 [1,0,0,0,0,0|1,0,2]=4 393 B7R0.1 CCOCCCNC 2230a_100000210961_200000210301 [1,0,0,0,0,0|1,0,2]=4 394 B7R0.1 CCOCCCNC 2230a_106832991635_100012232248 [1,0,0,0,0,0|1,0,2]=4 395 B7R0.1 CCOCCCNC 34a_100000210961_200000210301 [1,0,0,0,0,0|1,0,2]=4 396 B7R0.1 CCOCCCNC 34a_100000213112_100000210202 [1,0,0,0,0,0|1,0,2]=4 397 B7R0.1 CCOCCCNC 34a_100102657272_100012232248 [1,0,0,0,0,0|1,0,2]=4 398 B7R0.1 CCOCCCNC 7a_106832991635_100012232248 [1,0,0,0,0,0|1,0,2]=4 399 B7R0.1 CCOCCCN[13CH3] 2230a_100000210961_200025704644 [1,0,0,0,0,0|1,0,2]=4 400 B7R0.1 CCOCCCN[13CH3] 34a_100000210961_200025704644 [1,0,0,0,0,0|1,0,2]=4 401 B7R0.1 CCOCCCOC 34a_100000740835_100000210202 [1,0,0,0,0,0|1,0,2]=4 402 B7R0.1 CCOCCCOC 34a_100000757476_200000210301 [1,0,0,0,0,0|1,0,2]=4 403 B7R0.1 CCOCCCOC 34a_100121572206_100000740836 [1,0,0,0,0,0|1,0,2]=4 404 B7R0.1 CCOCCCOC 34a_100138415774_100012232248 [1,0,0,0,0,0|1,0,2]=4 405 B7R0.1 CCOCCCOC 7a_100000757476_200000210301 [1,0,0,0,0,0|1,0,2]=4 406 B7R0.1 CCOCCCO[13CH3] 34a_100000757476_200025704644 [1,0,0,0,0,0|1,0,2]=4 407 B7R0.1 CCOCCCO[13CH3] 7a_100000757476_200025704644 [1,0,0,0,0,0|1,0,2]=4 408 B7R0.1 CCOCCCSC 34a_100000690336_100000210202 [1,0,0,0,0,0|1,0,2]=4 409 B7R0.1 CCOCCCSC 62a_100012232248_200000210301 [1,0,0,0,0,0|1,0,2]=4 410 B7R0.1 CCOCCCSC 62a_200000210301_100012232248 [1,0,0,0,0,0|1,0,2]=4 411 B7R0.1 CCOCCCSC 7a_100000690336_100000210202 [1,0,0,0,0,0|1,0,2]=4 412 B7R0.1 CCOCCCS[13CH3] 62a_100012232248_200025704644 [1,0,0,0,0,0|1,0,2]=4 413 B7R0.1 CCOCCCS[13CH3] 62a_200025704644_100012232248 [1,0,0,0,0,0|1,0,2]=4 414 B7R0.1 CCOCSCC=O 62a_100000739092_200015260668 [1,0,0,0,0,0|2,0,1]=4 415 B7R0.1 CCOCSCC=O 62a_200015260668_100000739092 [1,0,0,0,0,0|2,0,1]=4 416 B7R0.1 CCSCCCC=O 62a_100000210202_200011292268 [1,0,0,0,0,0|1,1,1]=4 417 B7R0.1 CCSCCCC=O 62a_200011292268_100000210202 [1,0,0,0,0,0|1,1,1]=4 418 B7R0.3 C#CC(=O)CCC=C 1458a_100000211873_100000754431 [1,0,0,0,0,0|0,0,2]=3 419 B7R0.3 C#CCCC(=O)CC 1458a_100000210414_100000753159 [1,0,0,0,0,0|0,0,2]=3 420 B7R0.3 C#CCCC(=O)CC 1458a_100000692101_100000210202 [1,0,0,0,0,0|0,0,2]=3 421 B7R0.3 C#CCCC(=O)CF 1458a_100000692101_100015361967 [1,0,0,0,0,0|1,0,2]=4 422 B7R0.3 C#CCCC(=O)CO 1458a_100000210174_100000753159 [1,0,0,0,0,0|1,0,2]=4 423 B7R0.3 C#CCCC(=O)NC 11a_106832991635_100000692101 [1,0,0,0,0,0|1,0,2]=4 424 B7R0.3 C#CCCC(=O)NC 1626a_100102657272_100000692101 [1,0,0,0,0,0|1,0,2]=4 425 B7R0.3 C#CCCC(=O)NC 240690a_100102657272_100000692101 [1,0,0,0,0,0|1,0,2]=4 426 B7R0.3 C#CCCC(=O)NC 527a_100102657272_100000692101 [1,0,0,0,0,0|1,0,2]=4 427 B7R0.3 C#CCNC(=O)CC 11a_100000212058_100000210414 [1,0,0,0,0,0|1,0,2]=4 428 B7R0.3 C#CCNC(=O)CC 1626a_100000212058_100000210414 [1,0,0,0,0,0|1,0,2]=4 429 B7R0.3 C#CCNC(=O)CC 240690a_100000212058_100000210414 [1,0,0,0,0,0|1,0,2]=4 430 B7R0.3 C#CCNC(=O)CC 527a_100000212058_100000210414 [1,0,0,0,0,0|1,0,2]=4 431 B7R0.3 C/C=C/CC(=O)CC 1458a_100000210414_100102629194 [1,0,0,0,0,0|0,0,2]=3 432 B7R0.3 C/C=C/CC(=O)CO 1458a_100000210174_100102629194 [1,0,0,0,0,0|1,0,2]=4 433 B7R0.3 C=CC=CC(=O)CC 1458a_100016291481_100000210202 [1,0,0,0,0,0|0,0,2]=3 434 B7R0.3 C=CC=CC(=O)CF 1458a_100016291481_100015361967 [1,0,0,0,0,0|1,0,2]=4 435 B7R0.3 C=CC=CC(=O)NC 1626a_100102657272_100016291481 [1,0,0,0,0,0|1,0,2]=4 436 B7R0.3 C=CCCC(=O)C=C 1458a_100000185746_100000754431 [1,0,0,0,0,0|0,0,2]=3 437 B7R0.3 C=CCCC(=O)CC 1458a_100000210414_100000754431 [1,0,0,0,0,0|0,0,0]=1 438 B7R0.3 C=CCCC(=O)CC 1458a_100000749702_100000210202 [1,0,0,0,0,0|0,0,0]=1 439 B7R0.3 C=CCCC(=O)CF 1458a_100000749702_100015361967 [1,0,0,0,0,0|1,0,0]=2 440 B7R0.3 C=CCCC(=O)CO 1458a_100000210174_100000754431 [1,0,0,0,0,0|1,0,0]=2 441 B7R0.3 C=CCCC(=O)NC 11a_106832991635_100000749702 [1,0,0,0,0,0|1,0,0]=2 442 B7R0.3 C=CCCC(=O)NC 1626a_100102657272_100000749702 [1,0,0,0,0,0|1,0,0]=2 443 B7R0.3 C=CCCC(=O)NC 240690a_100102657272_100000749702 [1,0,0,0,0,0|1,0,0]=2 444 B7R0.3 C=CCCC(=O)NC 527a_100102657272_100000749702 [1,0,0,0,0,0|1,0,0]=2 445 B7R0.3 C=CCCC(C)NC 270004a_106832991635_100000762624 [1,0,0,0,0,0|2,0,1]=4 446 B7R0.3 C=CCCC(C)OC 34a_100000765329_200000210301 [1,0,0,0,0,0|1,0,1]=3 447 B7R0.3 C=CCCC(C)OC 7a_100000765329_200000210301 [1,0,0,0,0,0|1,0,1]=3 448 B7R0.3 C=CCCC(C)O[13CH3] 34a_100000765329_200025704644 [1,0,0,0,0,0|1,0,1]=3 449 B7R0.3 C=CCCC(C)O[13CH3] 7a_100000765329_200025704644 [1,0,0,0,0,0|1,0,1]=3 450 B7R0.3 C=CCCN(C)CC 2230a_100000225621_100000754431 [1,0,0,0,0,0|2,0,0]=3 451 B7R0.3 C=CCCN(C)CC 2230a_100020639649_100000210202 [1,0,0,0,0,0|2,0,0]=3 452 B7R0.3 C=CCCN(C)CC 269982a_100000225621_100000754431 [1,0,0,0,0,0|2,0,0]=3 453 B7R0.3 C=CCCN(C)CC 269982a_100020639649_100000204670 [1,0,0,0,0,0|2,0,0]=3 454 B7R0.3 C=CCCN(C)CF 269982a_100020639649_100015361967 [1,0,0,0,0,0|3,0,0]=4 455 B7R0.3 C=CCNC(=O)C=C 1626a_100020586998_100000185746 [1,0,0,0,0,0|1,0,2]=4 456 B7R0.3 C=CCNC(=O)C=C 240690a_100020586998_200121576911 [1,0,0,0,0,0|1,0,2]=4 457 B7R0.3 C=CCNC(=O)CC 1626a_100020586998_100000210414 [1,0,0,0,0,0|1,0,0]=2 458 B7R0.3 C=CCNC(=O)CC 240690a_100020586998_100000210414 [1,0,0,0,0,0|1,0,0]=2 459 B7R0.3 C=CCNC(=O)CC 527a_100020586998_100000210414 [1,0,0,0,0,0|1,0,0]=2 460 B7R0.3 C=CCNC(=O)CO 240690a_100020586998_100000210174 [1,0,0,0,0,0|2,0,0]=3 461 B7R0.3 C=CCNC(=O)CO 527a_100020586998_100000210174 [1,0,0,0,0,0|2,0,0]=3 462 B7R0.3 C=CCNC(=O)NC 2708a_100102657272_100020586998 [1,0,0,0,0,0|2,0,0]=3 463 B7R0.3 C=CCNC(=O)NC 273464a_100020586998_100102657272 [1,0,0,0,0,0|2,0,0]=3 464 B7R0.3 C=CCNC(=O)NC 273464a_100102657272_100020586998 [1,0,0,0,0,0|2,0,0]=3 465 B7R0.3 C=CCNC(=O)NC 512a_100020586998_100102657272 [1,0,0,0,0,0|2,0,0]=3 466 B7R0.3 C=CCNC(=O)NC 512a_106832991638_100020586998 [1,0,0,0,0,0|2,0,0]=3 467 B7R0.3 C=CCNC(C)CC 2230a_100000209981_100000210623 [1,0,0,0,0,0|2,0,1]=4 468 B7R0.3 C=CCNC(C)CC 2230a_100020586998_100000758301 [1,0,0,0,0,0|2,0,1]=4 469 B7R0.3 C=CCOC(C)CC 34a_200000210373_100011215416 [1,0,0,0,0,0|2,0,1]=4 470 B7R0.3 C=CCOC(C)CC 7a_100000210228_100015514636 [1,0,0,0,0,0|2,0,1]=4 471 B7R0.3 C=CCSC(C)CC 62a_100000210623_100000758301 [1,0,0,0,0,0|2,0,1]=4 472 B7R0.3 C=CCSC(C)CC 62a_100000758301_100000210623 [1,0,0,0,0,0|2,0,1]=4 473 B7R0.3 C=CCSC(C)OC 62a_100000210623_100009879195 [1,0,0,0,0,0|2,0,1]=4 474 B7R0.3 C=CCSC(C)OC 62a_100009879195_100000210623 [1,0,0,0,0,0|2,0,1]=4 475 B7R0.3 CC#CCC(=O)CC 1458a_100000210414_100000748600 [1,0,0,0,0,0|0,0,3]=4 476 B7R0.3 CC=CCC(=O)CC 1458a_100000210414_100000070051 [1,0,0,0,0,0|0,0,2]=3 477 B7R0.3 CC=CCC(=O)CC 1458a_100121576822_100000210202 [1,0,0,0,0,0|0,0,2]=3 478 B7R0.3 CC=CCC(=O)CF 1458a_100121576822_100015361967 [1,0,0,0,0,0|1,0,2]=4 479 B7R0.3 CC=CCC(=O)CO 1458a_100000210174_100000070051 [1,0,0,0,0,0|1,0,2]=4 480 B7R0.3 CC=CCC(=O)NC 11a_106832991635_100121576822 [1,0,0,0,0,0|1,0,2]=4 481 B7R0.3 CC=CCC(=O)NC 1626a_100102657272_100121576822 [1,0,0,0,0,0|1,0,2]=4 482 B7R0.3 CC=CCC(=O)NC 240690a_100102657272_100121576822 [1,0,0,0,0,0|1,0,2]=4 483 B7R0.3 CC=CCC(=O)NC 527a_100102657272_100121576822 [1,0,0,0,0,0|1,0,2]=4 484 B7R0.3 CC=NNC(=O)CC 4a_100000183195_200000210099 [1,0,0,0,0,0|2,0,1]=4 485 B7R0.3 CCC(=O)CCC#N 1458a_100000210414_100011215226 [1,0,0,0,0,0|1,0,1]=3 486 B7R0.3 CCC(=O)CCC#N 1458a_100011934036_100000210202 [1,0,0,0,0,0|1,0,1]=3 487 B7R0.3 CCC(=O)CCCF 1458a_100000210414_100011934791 [1,0,0,0,0,0|1,0,1]=3 488 B7R0.3 CCC(=O)CCCO 1458a_100000210414_100011215043 [1,0,0,0,0,0|1,0,1]=3 489 B7R0.3 CCC(=O)CCOC 1458a_100000210414_100000233755 [1,0,0,0,0,0|1,0,1]=3 490 B7R0.3 CCC(=O)CCOC 1458a_100000749529_100000210202 [1,0,0,0,0,0|1,0,1]=3 491 B7R0.3 CCC(=O)CCSC 1458a_100000174002_100000210202 [1,0,0,0,0,0|1,0,1]=3 492 B7R0.3 CCC(=O)CCSC 1458a_100000210414_100000751147 [1,0,0,0,0,0|1,0,1]=3 493 B7R0.3 CCC(=O)COCF 34a_100000725409_100015361967 [1,0,0,0,0,0|2,0,1]=4 494 B7R0.3 CCC(=O)CSCF 62a_100000747405_100015361967 [1,0,0,0,0,0|2,0,1]=4 495 B7R0.3 CCC(=O)CSCF 62a_100015361967_100000747405 [1,0,0,0,0,0|2,0,1]=4 496 B7R0.3 CCC(=O)NCC#N 1626a_100000734998_100000210414 [1,0,0,0,0,0|2,0,1]=4 497 B7R0.3 CCC(=O)NCC#N 527a_100000734998_100000210414 [1,0,0,0,0,0|2,0,1]=4 498 B7R0.3 CCC(=O)NCCF 11a_100000724931_100000210414 [1,0,0,0,0,0|2,0,1]=4 499 B7R0.3 CCC(=O)NCCF 1626a_100000724931_100000210414 [1,0,0,0,0,0|2,0,1]=4 500 B7R0.3 CCC(=O)NCCF 240690a_100000724931_100000210414 [1,0,0,0,0,0|2,0,1]=4 501 B7R0.3 CCC(=O)NCCF 527a_100000724931_100000210414 [1,0,0,0,0,0|2,0,1]=4 502 B7R0.3 CCC(=O)NCCO 240690a_100000210304_100000210414 [1,0,0,0,0,0|2,0,1]=4 503 B7R0.3 CCC(=O)NCCO 527a_100000210304_100000210414 [1,0,0,0,0,0|2,0,1]=4 504 B7R0.3 CCCCC(=O)CC 1458a_100000210183_100000210202 [1,0,0,0,0,0|0,0,2]=3 505 B7R0.3 CCCCC(=O)CC 1458a_100000210414_100000210211 [1,0,0,0,0,0|0,0,2]=3 506 B7R0.3 CCCCC(=O)CF 1458a_100000210183_100015361967 [1,0,0,0,0,0|1,0,2]=4 507 B7R0.3 CCCCC(=O)CO 1458a_100000210174_100000210211 [1,0,0,0,0,0|1,0,2]=4 508 B7R0.3 CCCCC(=O)NC 11a_106832991635_100000210183 [1,0,0,0,0,0|1,0,2]=4 509 B7R0.3 CCCCC(=O)NC 1626a_100102657272_100000210183 [1,0,0,0,0,0|1,0,2]=4 510 B7R0.3 CCCCC(=O)NC 240690a_100102657272_100000210183 [1,0,0,0,0,0|1,0,2]=4 511 B7R0.3 CCCCC(=O)NC 527a_100102657272_100000210183 [1,0,0,0,0,0|1,0,2]=4 512 B7R0.3 CCCNC(=O)CC 11a_100020643023_100000210414 [1,0,0,0,0,0|1,0,2]=4 513 B7R0.3 CCCNC(=O)CC 1626a_100020643023_100000210414 [1,0,0,0,0,0|1,0,2]=4 514 B7R0.3 CCCNC(=O)CC 240690a_100020643023_100000210414 [1,0,0,0,0,0|1,0,2]=4 515 B7R0.3 CCCNC(=O)CC 527a_100020643023_100000210414 [1,0,0,0,0,0|1,0,2]=4 516 B7R0.3 CCNCC(=O)OC 2230a_100015525214_100000747449 [1,0,0,0,0,0|1,0,2]=4 517 B7R0.3 CCOCC(=O)CC 1458a_100000211967_100000210202 [1,0,0,0,0,0|1,0,2]=4 518 B7R0.3 CCOCC(=O)CC 34a_100000725409_100000210202 [1,0,0,0,0,0|1,0,2]=4 519 B7R0.3 CCOCC(=O)OC 34a_100121572206_100000747449 [1,0,0,0,0,0|1,0,2]=4 520 B7R0.3 CCSCC(=O)CC 1458a_100000230394_100000210202 [1,0,0,0,0,0|1,0,2]=4 521 B7R0.3 CCSCC(=O)CC 62a_100000210202_100000747405 [1,0,0,0,0,0|1,0,2]=4 522 B7R0.3 CCSCC(=O)CC 62a_100000747405_100000210202 [1,0,0,0,0,0|1,0,2]=4 523 B7R0.3 CCSCC(=O)OC 62a_100000210202_100000747449 [1,0,0,0,0,0|1,0,2]=4 524 B7R0.3 CCSCC(=O)OC 62a_100000747449_100000210202 [1,0,0,0,0,0|1,0,2]=4 525 B7R0.3 CNC(=O)CCC#N 11a_106832991635_100011934036 [1,0,0,0,0,0|2,0,1]=4 526 B7R0.3 CNC(=O)CCC#N 1626a_100102657272_100011934036 [1,0,0,0,0,0|2,0,1]=4 527 B7R0.3 CNC(=O)CCC#N 240690a_100102657272_100011934036 [1,0,0,0,0,0|2,0,1]=4 528 B7R0.3 CNC(=O)CCC#N 527a_100102657272_100011934036 [1,0,0,0,0,0|2,0,1]=4 529 B7R0.3 CNC(=O)CCN[13CH3] 2230a_100000738227_200025704644 [1,0,0,0,0,0|2,0,1]=4 530 B7R0.3 CNC(=O)CCN[13CH3] 34a_100000738227_200025704644 [1,0,0,0,0,0|2,0,1]=4 531 B7R0.3 CNC(=O)CCOC 11a_106832991635_100000749529 [1,0,0,0,0,0|2,0,1]=4 532 B7R0.3 CNC(=O)CCOC 1626a_100102657272_100000749529 [1,0,0,0,0,0|2,0,1]=4 533 B7R0.3 CNC(=O)CCOC 240690a_100102657272_100000749529 [1,0,0,0,0,0|2,0,1]=4 534 B7R0.3 CNC(=O)CCOC 34a_100000754576_200000210301 [1,0,0,0,0,0|2,0,1]=4 535 B7R0.3 CNC(=O)CCOC 34a_100138415774_100012179268 [1,0,0,0,0,0|2,0,1]=4 536 B7R0.3 CNC(=O)CCOC 527a_100102657272_100000749529 [1,0,0,0,0,0|2,0,1]=4 537 B7R0.3 CNC(=O)CCO[13CH3] 34a_100000754576_200025704644 [1,0,0,0,0,0|2,0,1]=4 538 B7R0.3 CNC(=O)CCSC 11a_106832991635_100000174002 [1,0,0,0,0,0|2,0,1]=4 539 B7R0.3 CNC(=O)CCSC 1626a_100102657272_100000174002 [1,0,0,0,0,0|2,0,1]=4 540 B7R0.3 CNC(=O)CCSC 240690a_100102657272_100000174002 [1,0,0,0,0,0|2,0,1]=4 541 B7R0.3 CNC(=O)CCSC 527a_100102657272_100000174002 [1,0,0,0,0,0|2,0,1]=4 542 B7R0.3 CNC(=O)CCSC 62a_100000737683_200000210301 [1,0,0,0,0,0|2,0,1]=4 543 B7R0.3 CNC(=O)CCSC 62a_200000210301_100000737683 [1,0,0,0,0,0|2,0,1]=4 544 B7R0.3 CNC(=O)CCS[13CH3] 62a_100000737683_200025704644 [1,0,0,0,0,0|2,0,1]=4 545 B7R0.3 CNC(=O)CCS[13CH3] 62a_200025704644_100000737683 [1,0,0,0,0,0|2,0,1]=4 546 B7R0.3 CNCCC(=O)NC 2230a_100000738227_200000210301 [1,0,0,0,0,0|2,0,1]=4 547 B7R0.3 CNCCC(=O)NC 2230a_106832991635_100000737683 [1,0,0,0,0,0|2,0,1]=4 548 B7R0.3 CNCCC(=O)NC 34a_100000738227_200000210301 [1,0,0,0,0,0|2,0,1]=4 549 B7R0.3 CNCCC(=O)NC 34a_100102657272_100012179268 [1,0,0,0,0,0|2,0,1]=4 550 B7R0.3 CNCCC(=O)NC 7a_106832991635_100000737683 [1,0,0,0,0,0|2,0,1]=4 551 B7R0.3 CNCCC(=O)OC 2230a_106832991635_100000204255 [1,0,0,0,0,0|1,0,1]=3 552 B7R0.3 CNCCC(=O)OC 34a_100102657272_100000742370 [1,0,0,0,0,0|1,0,1]=3 553 B7R0.3 CNCCC(=O)OC 7a_106832991635_100000204255 [1,0,0,0,0,0|1,0,1]=3 554 B7R0.3 COC(=O)CCSC 62a_100000204255_200000210301 [1,0,0,0,0,0|1,0,1]=3 555 B7R0.3 COC(=O)CCSC 62a_200000210301_100000204255 [1,0,0,0,0,0|1,0,1]=3 556 B7R0.3 COC(=O)CCS[13CH3] 62a_100000204255_200025704644 [1,0,0,0,0,0|1,0,1]=3 557 B7R0.3 COC(=O)CCS[13CH3] 62a_200025704644_100000204255 [1,0,0,0,0,0|1,0,1]=3 558 B7R0.3 COC(=O)CSCF 62a_100000747449_100015361967 [1,0,0,0,0,0|2,0,1]=4 559 B7R0.3 COC(=O)CSCF 62a_100015361967_100000747449 [1,0,0,0,0,0|2,0,1]=4 560 B7R0.3 COC(=O)OCSC 62a_200000210301_100000139417 [1,0,0,0,0,0|2,0,1]=4 561 B7R0.3 COC(=O)OCS[13CH3] 62a_200025704644_100000139417 [1,0,0,0,0,0|2,0,1]=4 562 B7R0.3 COCCC(=O)CF 1458a_100000749529_100015361967 [1,0,0,0,0,0|2,0,1]=4 563 B7R0.3 COCCC(=O)CO 1458a_100000210174_100000233755 [1,0,0,0,0,0|2,0,1]=4 564 B7R0.3 COCCC(=O)OC 34a_100138415774_100000742370 [1,0,0,0,0,0|1,0,1]=3 565 B7R0.3 CSCCC(=O)CF 1458a_100000174002_100015361967 [1,0,0,0,0,0|2,0,1]=4 566 B7R0.3 CSCCC(=O)CO 1458a_100000210174_100000751147 [1,0,0,0,0,0|2,0,1]=4 567 B7R0.3 N#CCCC(=O)CF 1458a_100011934036_100015361967 [1,0,0,0,0,0|2,0,1]=4 568 B7R0.3 N#CCCC(=O)CO 1458a_100000210174_100011215226 [1,0,0,0,0,0|2,0,1]=4 569 B7R0.3 O=C(CO)CCCF 1458a_100000210174_100011934791 [1,0,0,0,0,0|2,0,1]=4 570 B7R0.3 O=C(CO)CCCO 1458a_100000210174_100011215043 [1,0,0,0,0,0|2,0,1]=4 571 B7R0.7 C#CCC(=O)CC=C 1458a_100000210193_100000184674 [1,0,0,0,0,0|1,0,2]=4 572 B7R0.7 C#CCC(=O)CC=C 1458a_100011220946_100000210623 [1,0,0,0,0,0|1,0,2]=4 573 B7R0.7 C#CCC(=O)CCC 1458a_100000211992_100000184674 [1,0,0,0,0,0|1,0,2]=4 574 B7R0.7 C#CCC(=O)CCC 1458a_100011220946_100000210303 [1,0,0,0,0,0|1,0,2]=4 575 B7R0.7 C#CCC(=O)NCC 527a_100015525214_100011220946 [1,0,0,0,0,0|1,0,2]=4 576 B7R0.7 C=CCC(=O)C#CC 1458a_100000763181_100000210623 [1,0,0,0,0,0|1,0,1]=3 577 B7R0.7 C=CCC(=O)C=CBr 1458a_100016273825_100000210623 [1,0,0,0,0,0|2,0,1]=4 578 B7R0.7 C=CCC(=O)C=CC 1458a_100000210699_100000210623 [1,0,0,0,0,0|1,0,1]=3 579 B7R0.7 C=CCC(=O)C=CCl 1458a_200016279998_100000210623 [1,0,0,0,0,0|2,0,1]=4 580 B7R0.7 C=CCC(=O)C=CI 1458a_100016256311_100000210623 [1,0,0,0,0,0|2,0,1]=4 581 B7R0.7 C=CCC(=O)CC#N 1458a_100000210193_100011214920 [1,0,0,0,0,0|2,0,1]=4 582 B7R0.7 C=CCC(=O)CC#N 1458a_100051588842_100000210623 [1,0,0,0,0,0|2,0,1]=4 583 B7R0.7 C=CCC(=O)CC=C 1458a_100000210193_100000210623 [1,0,0,0,0,0|1,0,2]=4 584 B7R0.7 C=CCC(=O)CCC 1458a_100000210193_100000210303 [1,0,0,0,0,0|1,0,0]=2 585 B7R0.7 C=CCC(=O)CCC 1458a_100000211992_100000210623 [1,0,0,0,0,0|1,0,0]=2 586 B7R0.7 C=CCC(=O)CCF 1458a_100000210193_100011217306 [1,0,0,0,0,0|2,0,0]=3 587 B7R0.7 C=CCC(=O)CCO 1458a_100000210193_100000211926 [1,0,0,0,0,0|2,0,0]=3 588 B7R0.7 C=CCC(=O)CCO 1458a_100011216618_100000210623 [1,0,0,0,0,0|2,0,0]=3 589 B7R0.7 C=CCC(=O)COC 1458a_100000210968_100000210623 [1,0,0,0,0,0|2,0,0]=3 590 B7R0.7 C=CCC(=O)CSC 1458a_100000184570_100000210623 [1,0,0,0,0,0|2,0,0]=3 591 B7R0.7 C=CCC(=O)NCC 11a_100015525214_100000210193 [1,0,0,0,0,0|1,0,0]=2 592 B7R0.7 C=CCC(=O)NCC 240690a_100015525214_100000210193 [1,0,0,0,0,0|1,0,0]=2 593 B7R0.7 C=CCC(=O)NCC 527a_100015525214_100000210193 [1,0,0,0,0,0|1,0,0]=2 594 B7R0.7 C=CCC(=O)NNC 22a_100016993582_100000210193 [1,0,0,0,0,0|2,0,0]=3 595 B7R0.7 C=CCN(C)CCC 2230a_100000225617_100000210303 [1,0,0,0,0,0|3,0,0]=4 596 B7R0.7 C=CCN(C)CCC 2230a_100000747261_100000210623 [1,0,0,0,0,0|3,0,0]=4 597 B7R0.7 C=CCN(C)CCC 269982a_100000225617_100000210303 [1,0,0,0,0,0|3,0,0]=4 598 B7R0.7 C=CCN(C)CCC 269982a_100000747261_100000210623 [1,0,0,0,0,0|3,0,0]=4 599 B7R0.7 C=CC[C@@H](C)OCC 34a_100000731007_100000210202 [1,0,0,0,0,0|1,0,1]=3 600 B7R0.7 C=CC[C@@H](C)OCC 7a_100000731007_100000210202 [1,0,0,0,0,0|1,0,1]=3 601 B7R0.7 C=CC[C@@H](C)OCF 34a_100000731007_100015361967 [1,0,0,0,0,0|2,0,1]=4 602 B7R0.7 C=CC[C@@H](C)OCF 7a_100000731007_100015361967 [1,0,0,0,0,0|2,0,1]=4 603 B7R0.7 C=COC(=O)CNC 2230a_106832991635_100000036128 [1,0,0,0,0,0|3,0,0]=4 604 B7R0.7 C=COC(=O)CNC 34a_100102657272_100000036128 [1,0,0,0,0,0|3,0,0]=4 605 B7R0.7 C=COC(=O)COC 34a_100138415774_100000036128 [1,0,0,0,0,0|3,0,0]=4 606 B7R0.7 C=COC(=O)CSC 62a_100000036128_200000210301 [1,0,0,0,0,0|3,0,0]=4 607 B7R0.7 C=COC(=O)CSC 62a_200000210301_100000036128 [1,0,0,0,0,0|3,0,0]=4 608 B7R0.7 C=COC(=O)CS[13CH3] 62a_100000036128_200025704644 [1,0,0,0,0,0|3,0,0]=4 609 B7R0.7 C=COC(=O)CS[13CH3] 62a_200025704644_100000036128 [1,0,0,0,0,0|3,0,0]=4 610 B7R0.7 CC#CC(=O)CCC 1458a_100000763181_100000210303 [1,0,0,0,0,0|1,0,2]=4 611 B7R0.7 CC#CC(=O)CCF 1458a_100000763181_100011217306 [1,0,0,0,0,0|2,0,1]=4 612 B7R0.7 CC#CC(=O)CCO 1458a_100000763181_100000211926 [1,0,0,0,0,0|2,0,1]=4 613 B7R0.7 CC=CC(=O)CCC 1458a_100000210699_100000210303 [1,0,0,0,0,0|1,0,2]=4 614 B7R0.7 CC=CC(=O)CCF 1458a_100000210699_100011217306 [1,0,0,0,0,0|2,0,1]=4 615 B7R0.7 CC=CC(=O)CCO 1458a_100000210699_100000211926 [1,0,0,0,0,0|2,0,1]=4 616 B7R0.7 CC=CC(=O)NCC 11a_100015525214_100000210699 [1,0,0,0,0,0|1,0,2]=4 617 B7R0.7 CC=CC(=O)NCC 240690a_100015525214_100000210699 [1,0,0,0,0,0|1,0,2]=4 618 B7R0.7 CCCC(=O)C=CBr 1458a_100016273825_100000210303 [1,0,0,0,0,0|2,0,1]=4 619 B7R0.7 CCCC(=O)C=CCl 1458a_200016279998_100000210303 [1,0,0,0,0,0|2,0,1]=4 620 B7R0.7 CCCC(=O)C=CI 1458a_100016256311_100000210303 [1,0,0,0,0,0|2,0,1]=4 621 B7R0.7 CCCC(=O)CC#N 1458a_100000211992_100011214920 [1,0,0,0,0,0|2,0,1]=4 622 B7R0.7 CCCC(=O)CC#N 1458a_100051588842_100000210303 [1,0,0,0,0,0|2,0,1]=4 623 B7R0.7 CCCC(=O)CCC 1458a_100000211992_100000210303 [1,0,0,0,0,0|1,0,1]=3 624 B7R0.7 CCCC(=O)CCF 1458a_100000211992_100011217306 [1,0,0,0,0,0|2,0,0]=3 625 B7R0.7 CCCC(=O)CCO 1458a_100000211992_100000211926 [1,0,0,0,0,0|2,0,0]=3 626 B7R0.7 CCCC(=O)CCO 1458a_100011216618_100000210303 [1,0,0,0,0,0|2,0,0]=3 627 B7R0.7 CCCC(=O)CNC 2230a_106832991635_100000747444 [1,0,0,0,0,0|2,0,1]=4 628 B7R0.7 CCCC(=O)CNC 7a_106832991635_100000747444 [1,0,0,0,0,0|2,0,1]=4 629 B7R0.7 CCCC(=O)COC 1458a_100000210968_100000210303 [1,0,0,0,0,0|2,0,1]=4 630 B7R0.7 CCCC(=O)CSC 1458a_100000184570_100000210303 [1,0,0,0,0,0|2,0,1]=4 631 B7R0.7 CCCC(=O)CSC 62a_100000747444_200000210301 [1,0,0,0,0,0|2,0,1]=4 632 B7R0.7 CCCC(=O)CSC 62a_200000210301_100000747444 [1,0,0,0,0,0|2,0,1]=4 633 B7R0.7 CCCC(=O)CS[13CH3] 62a_100000747444_200025704644 [1,0,0,0,0,0|2,0,1]=4 634 B7R0.7 CCCC(=O)CS[13CH3] 62a_200025704644_100000747444 [1,0,0,0,0,0|2,0,1]=4 635 B7R0.7 CCCC(=O)NCC 11a_100015525214_100000211992 [1,0,0,0,0,0|1,0,1]=3 636 B7R0.7 CCCC(=O)NCC 240690a_100015525214_100000211992 [1,0,0,0,0,0|1,0,1]=3 637 B7R0.7 CCCC(=O)NCC 527a_100015525214_100000211992 [1,0,0,0,0,0|1,0,1]=3 638 B7R0.7 CCCC(=O)NNC 22a_100016993582_100000211992 [1,0,0,0,0,0|2,0,1]=4 639 B7R0.7 CCCC(C)OCC 34a_100000764384_100000210202 [1,0,0,0,0,0|1,0,2]=4 640 B7R0.7 CCCC(C)OCC 34a_100121572206_100000766640 [1,0,0,0,0,0|1,0,2]=4 641 B7R0.7 CCCC(C)OCC 7a_100000764384_100000210202 [1,0,0,0,0,0|1,0,2]=4 642 B7R0.7 CCNC(=O)C=CBr 240690a_100015525214_100016273825 [1,0,0,0,0,0|2,0,1]=4 643 B7R0.7 CCNC(=O)C=CCl 11a_100015525214_200016279998 [1,0,0,0,0,0|2,0,1]=4 644 B7R0.7 CCNC(=O)C=CCl 240690a_100015525214_200016279998 [1,0,0,0,0,0|2,0,1]=4 645 B7R0.7 CCNC(=O)CC#N 240690a_100015525214_100051588842 [1,0,0,0,0,0|2,0,1]=4 646 B7R0.7 CCNC(=O)CCO 240690a_100015525214_100011216618 [1,0,0,0,0,0|2,0,0]=3 647 B7R0.7 CCNC(=O)CNC 2230a_100016988866_200000210301 [1,0,0,0,0,0|2,0,1]=4 648 B7R0.7 CCNC(=O)CNC 2230a_106832991635_100000183381 [1,0,0,0,0,0|2,0,1]=4 649 B7R0.7 CCNC(=O)CNC 34a_100102657272_100000183381 [1,0,0,0,0,0|2,0,1]=4 650 B7R0.7 CCNC(=O)CNC 7a_106832991635_100000183381 [1,0,0,0,0,0|2,0,1]=4 651 B7R0.7 CCNC(=O)CN[13CH3] 2230a_100016988866_200025704644 [1,0,0,0,0,0|2,0,1]=4 652 B7R0.7 CCNC(=O)COC 11a_100015525214_100000210968 [1,0,0,0,0,0|2,0,1]=4 653 B7R0.7 CCNC(=O)COC 240690a_100015525214_100000210968 [1,0,0,0,0,0|2,0,1]=4 654 B7R0.7 CCNC(=O)COC 34a_100138415774_100000183381 [1,0,0,0,0,0|2,0,1]=4 655 B7R0.7 CCNC(=O)COC 527a_100015525214_100000210968 [1,0,0,0,0,0|2,0,1]=4 656 B7R0.7 CCNC(=O)CSC 11a_100015525214_100000184570 [1,0,0,0,0,0|2,0,1]=4 657 B7R0.7 CCNC(=O)CSC 240690a_100015525214_100000184570 [1,0,0,0,0,0|2,0,1]=4 658 B7R0.7 CCNC(=O)CSC 527a_100015525214_100000184570 [1,0,0,0,0,0|2,0,1]=4 659 B7R0.7 CCNC(=O)CSC 62a_100000183381_200000210301 [1,0,0,0,0,0|2,0,1]=4 660 B7R0.7 CCNC(=O)CSC 62a_200000210301_100000183381 [1,0,0,0,0,0|2,0,1]=4 661 B7R0.7 CCNC(=O)CS[13CH3] 62a_100000183381_200025704644 [1,0,0,0,0,0|2,0,1]=4 662 B7R0.7 CCNC(=O)CS[13CH3] 62a_200025704644_100000183381 [1,0,0,0,0,0|2,0,1]=4 663 B7R0.7 CCNC(=O)NCC 2708a_100015525214_100015525214 [1,0,0,0,0,0|2,0,1]=4 664 B7R0.7 CCNC(=O)NCC 273464a_100015525214_100015525214 [1,0,0,0,0,0|2,0,1]=4 665 B7R0.7 CCNC(=O)NCC 512a_100015525214_100015525214 [1,0,0,0,0,0|2,0,1]=4 666 B7R0.7 CCOC(=O)CNC 2230a_106832991635_100000188475 [1,0,0,0,0,0|1,0,1]=3 667 B7R0.7 CCOC(=O)CNC 34a_100102657272_100000188475 [1,0,0,0,0,0|1,0,1]=3 668 B7R0.7 CCOC(=O)CNC 7a_106832991635_100000188475 [1,0,0,0,0,0|1,0,1]=3 669 B7R0.7 CCOC(=O)COC 34a_100138415774_100000188475 [1,0,0,0,0,0|1,0,1]=3 670 B7R0.7 CCOC(=O)CSC 62a_100000188475_200000210301 [1,0,0,0,0,0|1,0,1]=3 671 B7R0.7 CCOC(=O)CSC 62a_200000210301_100000188475 [1,0,0,0,0,0|1,0,1]=3 672 B7R0.7 CCOC(=O)CS[13CH3] 62a_100000188475_200025704644 [1,0,0,0,0,0|1,0,1]=3 673 B7R0.7 CCOC(=O)CS[13CH3] 62a_200025704644_100000188475 [1,0,0,0,0,0|1,0,1]=3 674 B7R0.7 CCOC(C)CCBr 34a_100012276601_100000210202 [1,0,0,0,0,0|2,0,1]=4 675 B7R0.7 CCOC(C)CCO 34a_100121572206_100009893172 [1,0,0,0,0,0|2,0,1]=4 676 B7R0.7 CNNC(=O)CCO 22a_100016993582_100011216618 [1,0,0,0,0,0|3,0,0]=4 677 B7R0.7 COCC(=O)CCF 1458a_100000210968_100011217306 [1,0,0,0,0,0|3,0,0]=4 678 B7R0.7 COCC(=O)CCO 1458a_100000210968_100000211926 [1,0,0,0,0,0|3,0,0]=4 679 B7R0.7 CSCC(=O)CCF 1458a_100000184570_100011217306 [1,0,0,0,0,0|3,0,0]=4 680 B7R0.7 CSCC(=O)CCO 1458a_100000184570_100000211926 [1,0,0,0,0,0|3,0,0]=4 681 B7R0.7 O=C(CCO)CCF 1458a_100011216618_100011217306 [1,0,0,0,0,0|3,0,0]=4 682 B7R0.7 O=C(CCO)CCO 1458a_100011216618_100000211926 [1,0,0,0,0,0|3,0,0]=4 683 B9R0.4 C#CCCC(=O)CC(C)C 1458a_100000210554_100000753159 [0,1,0,0,0,0|1,0,2]=4 684 B9R0.4 C#CCCC(=O)CC(C)C 1458a_100000692101_100000210624 [0,1,0,0,0,0|1,0,2]=4 685 B9R0.4 C#CCCC(=O)CC(C)O 1458a_100000692101_100011218427 [0,1,0,0,0,0|1,0,2]=4 686 B9R0.4 C#CCCC(=O)C[C@@H](C)O 1458a_100011933948_100000753159 [0,1,0,0,0,0|1,0,2]=4 687 B9R0.4 C#CCCC(=O)NC(C)C 11a_100138425928_100000692101 [0,1,0,0,0,0|1,0,2]=4 688 B9R0.4 C#CCCC(=O)NC(C)C 1626a_100138425928_100000692101 [0,1,0,0,0,0|1,0,2]=4 689 B9R0.4 C#CCCC(=O)NC(C)C 240690a_100138425928_100000692101 [0,1,0,0,0,0|1,0,2]=4 690 B9R0.4 C#CCCC(=O)NC(C)C 527a_100138425928_100000692101 [0,1,0,0,0,0|1,0,2]=4 691 B9R0.4 C/C=C/CC(=O)CC(C)C 1458a_100000210554_100102629194 [0,1,0,0,0,0|1,0,2]=4 692 B9R0.4 C/C=C/CC(=O)C[C@@H](C)O 1458a_100011933948_100102629194 [0,1,0,0,0,0|1,0,2]=4 693 B9R0.4 C=CC=CC(=O)CC(C)C 1458a_100016291481_100000210624 [0,1,0,0,0,0|1,0,2]=4 694 B9R0.4 C=CC=CC(=O)CC(C)O 1458a_100016291481_100011218427 [0,1,0,0,0,0|1,0,2]=4 695 B9R0.4 C=CC=CC(=O)NC(C)C 1626a_100138425928_100016291481 [0,1,0,0,0,0|1,0,2]=4 696 B9R0.4 C=CCCC(=O)C=C(C)C 1458a_100000211388_100000754431 [0,1,0,0,0,0|1,0,1]=3 697 B9R0.4 C=CCCC(=O)C=C(C)Cl 1458a_200042562850_100000754431 [0,1,0,0,0,0|1,0,1]=3 698 B9R0.4 C=CCCC(=O)C=C(C)I 1458a_100025716642_100000754431 [0,1,0,0,0,0|1,0,1]=3 699 B9R0.4 C=CCCC(=O)C=C(Cl)Cl 1458a_100000137448_100000754431 [0,1,0,0,0,0|2,0,1]=4 700 B9R0.4 C=CCCC(=O)CC(=C)C 1458a_100000749702_100000748629 [0,1,0,0,0,0|1,0,1]=3 701 B9R0.4 C=CCCC(=O)CC(=C)F 1458a_100000749702_100009893438 [0,1,0,0,0,0|1,0,2]=4 702 B9R0.4 C=CCCC(=O)CC(=O)N 1458a_100000749702_100000187820 [0,1,0,0,0,0|2,0,1]=4 703 B9R0.4 C=CCCC(=O)CC(=O)N 1458a_100134613110_100000754431 [0,1,0,0,0,0|2,0,1]=4 704 B9R0.4 C=CCCC(=O)CC(=O)[O-] 1458a_100000749702_100020667443 [0,1,0,0,0,0|2,0,1]=4 705 B9R0.4 C=CCCC(=O)CC(C)C 1458a_100000210554_100000754431 [0,1,0,0,0,0|1,0,0]=2 706 B9R0.4 C=CCCC(=O)CC(C)C 1458a_100000749702_100000210624 [0,1,0,0,0,0|1,0,0]=2 707 B9R0.4 C=CCCC(=O)CC(C)O 1458a_100000749702_100011218427 [0,1,0,0,0,0|1,0,0]=2 708 B9R0.4 C=CCCC(=O)CC(F)F 1458a_100000749702_100011934356 [0,1,0,0,0,0|2,0,0]=3 709 B9R0.4 C=CCCC(=O)CN(C)C 1458a_100000750896_100000754431 [0,1,0,0,0,0|2,0,0]=3 710 B9R0.4 C=CCCC(=O)C[C@@H](C)O 1458a_100011933948_100000754431 [0,1,0,0,0,0|1,0,0]=2 711 B9R0.4 C=CCCC(=O)C[N+](=O)[O-] 1458a_100000749702_100000761209 [0,1,0,0,0,0|3,0,0]=4 712 B9R0.4 C=CCCC(=O)C[S+](C)C 1458a_200159257847_100000754431 [0,1,0,0,0,0|2,0,0]=3 713 B9R0.4 C=CCCC(=O)NC(C)C 11a_100138425928_100000749702 [0,1,0,0,0,0|1,0,0]=2 714 B9R0.4 C=CCCC(=O)NC(C)C 1626a_100138425928_100000749702 [0,1,0,0,0,0|1,0,0]=2 715 B9R0.4 C=CCCC(=O)NC(C)C 240690a_100138425928_100000749702 [0,1,0,0,0,0|1,0,0]=2 716 B9R0.4 C=CCCC(=O)NC(C)C 527a_100138425928_100000749702 [0,1,0,0,0,0|1,0,0]=2 717 B9R0.4 C=CCCC(C)OC(C)C 34a_100000765329_100000210206 [0,1,0,0,0,0|1,0,1]=3 718 B9R0.4 C=CCCC(C)OC(C)C 7a_100000765329_100000210206 [0,1,0,0,0,0|1,0,1]=3 719 B9R0.4 C=CCCN(C)CC(C)C 2230a_100000747067_100000754431 [0,1,0,0,0,0|3,0,0]=4 720 B9R0.4 C=CCCN(C)CC(C)C 2230a_100020639649_100000210760 [0,1,0,0,0,0|3,0,0]=4 721 B9R0.4 C=CCCN(C)CC(C)C 269982a_100000747067_100000754431 [0,1,0,0,0,0|3,0,0]=4 722 B9R0.4 C=CCCN(C)CC(C)C 269982a_100020639649_100000210624 [0,1,0,0,0,0|3,0,0]=4 723 B9R0.4 C=CCCN(C)CC(C)C 270004a_100020639649_100000210432 [0,1,0,0,0,0|3,0,0]=4 724 B9R0.4 C=CCCN(C)CC(C)O 2230a_100000227577_100000754431 [0,1,0,0,0,0|3,0,0]=4 725 B9R0.4 C=CCCN(C)CC(C)O 2230a_100020639649_100011218427 [0,1,0,0,0,0|3,0,0]=4 726 B9R0.4 C=CCCN(C)CC(C)O 269982a_100000227577_100000754431 [0,1,0,0,0,0|3,0,0]=4 727 B9R0.4 C=CCCN(C)CC(C)O 269982a_100020639649_100011218427 [0,1,0,0,0,0|3,0,0]=4 728 B9R0.4 C=CCCN(C)C[C@@H](C)O 2230a_100020639649_100009817552 [0,1,0,0,0,0|3,0,0]=4 729 B9R0.4 C=CCCN(C)C[C@@H](C)O 269982a_100020639649_100009817552 [0,1,0,0,0,0|3,0,0]=4 730 B9R0.4 C=CCNC(=O)C=C(C)C 1626a_100020586998_100000211388 [0,1,0,0,0,0|2,0,1]=4 731 B9R0.4 C=CCNC(=O)C=C(C)C 240690a_100020586998_100000211388 [0,1,0,0,0,0|2,0,1]=4 732 B9R0.4 C=CCNC(=O)C=C(C)Cl 1626a_100020586998_200042562850 [0,1,0,0,0,0|2,0,1]=4 733 B9R0.4 C=CCNC(=O)C=C(C)Cl 240690a_100020586998_200042562850 [0,1,0,0,0,0|2,0,1]=4 734 B9R0.4 C=CCNC(=O)C=C(C)I 1626a_100020586998_100025716642 [0,1,0,0,0,0|2,0,1]=4 735 B9R0.4 C=CCNC(=O)CC(=O)C 1458a_100000070787_100000183597 [0,1,0,0,0,0|2,0,1]=4 736 B9R0.4 C=CCNC(=O)CC(C)C 1626a_100020586998_100000210554 [0,1,0,0,0,0|2,0,0]=3 737 B9R0.4 C=CCNC(=O)CC(C)C 240690a_100020586998_100000210554 [0,1,0,0,0,0|2,0,0]=3 738 B9R0.4 C=CCNC(=O)CC(C)C 527a_100020586998_100000210554 [0,1,0,0,0,0|2,0,0]=3 739 B9R0.4 C=CCNC(=O)CN(C)C 2230a_100102631434_100000183597 [0,1,0,0,0,0|3,0,0]=4 740 B9R0.4 C=CCNC(=O)CN(C)C 240690a_100020586998_100000750896 [0,1,0,0,0,0|3,0,0]=4 741 B9R0.4 C=CCNC(=O)CN(C)C 269982a_100102631434_100000183597 [0,1,0,0,0,0|3,0,0]=4 742 B9R0.4 C=CCNC(=O)CN(C)C 527a_100020586998_100000750896 [0,1,0,0,0,0|3,0,0]=4 743 B9R0.4 C=CCNC(=O)C[C@@H](C)O 240690a_100020586998_100011933948 [0,1,0,0,0,0|2,0,0]=3 744 B9R0.4 C=CCNC(=O)C[S+](C)C 1626a_100020586998_200159257847 [0,1,0,0,0,0|3,0,0]=4 745 B9R0.4 C=CCNC(=O)C[S+](C)C 240690a_100020586998_200159257847 [0,1,0,0,0,0|3,0,0]=4 746 B9R0.4 C=CCNC(=O)C[S+](C)C 527a_100020586998_200159257847 [0,1,0,0,0,0|3,0,0]=4 747 B9R0.4 C=CCNC(=O)NC(C)C 2708a_100138425928_100020586998 [0,1,0,0,0,0|2,0,0]=3 748 B9R0.4 C=CCNC(=O)NC(C)C 273464a_100138425928_100020586998 [0,1,0,0,0,0|2,0,0]=3 749 B9R0.4 C=CCNC(=O)NC(C)C 512a_100020586998_100138425928 [0,1,0,0,0,0|2,0,0]=3 750 B9R0.4 C=CCNC(=O)NC(C)C 512a_100138425928_100020586998 [0,1,0,0,0,0|2,0,0]=3 751 B9R0.4 C=CCOC(=O)CC(=O)C 1458a_100000070787_100000033060 [0,1,0,0,0,0|2,0,1]=4 752 B9R0.4 C=CCOC(=O)CN(C)C 2230a_100102631434_100000033060 [0,1,0,0,0,0|3,0,0]=4 753 B9R0.4 C=CCOC(=O)CN(C)C 269982a_100102631434_100000033060 [0,1,0,0,0,0|3,0,0]=4 754 B9R0.4 CC(C)CC(=O)CCC#N 1458a_100000210554_100011215226 [0,1,0,0,0,0|2,0,1]=4 755 B9R0.4 CC(C)CC(=O)CCC#N 1458a_100011934036_100000210624 [0,1,0,0,0,0|2,0,1]=4 756 B9R0.4 CC(C)CC(=O)CCCF 1458a_100000210554_100011934791 [0,1,0,0,0,0|2,0,1]=4 757 B9R0.4 CC(C)CC(=O)CCCO 1458a_100000210554_100011215043 [0,1,0,0,0,0|2,0,1]=4 758 B9R0.4 CC(C)NC(=O)CCC#N 11a_100138425928_100011934036 [0,1,0,0,0,0|2,0,1]=4 759 B9R0.4 CC(C)NC(=O)CCC#N 1626a_100138425928_100011934036 [0,1,0,0,0,0|2,0,1]=4 760 B9R0.4 CC(C)NC(=O)CCC#N 240690a_100138425928_100011934036 [0,1,0,0,0,0|2,0,1]=4 761 B9R0.4 CC(C)NC(=O)CCC#N 527a_100138425928_100011934036 [0,1,0,0,0,0|2,0,1]=4 762 B9R0.4 CC(C)NC(=O)CCS[13CH3] 62a_100000737564_200025704644 [0,1,0,0,0,0|2,0,1]=4 763 B9R0.4 CC(C)NC(=O)CCS[13CH3] 62a_200025704644_100000737564 [0,1,0,0,0,0|2,0,1]=4 764 B9R0.4 CC(C)OC(=O)CCS[13CH3] 62a_100000760027_200025704644 [0,1,0,0,0,0|1,0,1]=3 765 B9R0.4 CC(C)OC(=O)CCS[13CH3] 62a_200025704644_100000760027 [0,1,0,0,0,0|1,0,1]=3 766 B9R0.4 CC(C)OC(=O)CSCF 62a_100011215430_100015361967 [0,1,0,0,0,0|2,0,1]=4 767 B9R0.4 CC(C)OC(=O)CSCF 62a_100015361967_100011215430 [0,1,0,0,0,0|2,0,1]=4 768 B9R0.4 CC(C)OC(=O)OCS[13CH3] 62a_100000003507_200025704644 [0,1,0,0,0,0|2,0,1]=4 769 B9R0.4 CC(C)OC(=O)OCS[13CH3] 62a_200025704644_100000003507 [0,1,0,0,0,0|2,0,1]=4 770 B9R0.4 CC(O)CC(=O)CCC#N 1458a_100011934036_100011218427 [0,1,0,0,0,0|2,0,1]=4 771 B9R0.4 CC=CCC(=O)CC(C)C 1458a_100000210554_100000070051 [0,1,0,0,0,0|1,0,2]=4 772 B9R0.4 CC=CCC(=O)CC(C)C 1458a_100121576822_100000210624 [0,1,0,0,0,0|1,0,2]=4 773 B9R0.4 CC=CCC(=O)CC(C)O 1458a_100121576822_100011218427 [0,1,0,0,0,0|1,0,2]=4 774 B9R0.4 CC=CCC(=O)C[C@@H](C)O 1458a_100011933948_100000070051 [0,1,0,0,0,0|1,0,2]=4 775 B9R0.4 CC=CCC(=O)NC(C)C 11a_100138425928_100121576822 [0,1,0,0,0,0|1,0,2]=4 776 B9R0.4 CC=CCC(=O)NC(C)C 1626a_100138425928_100121576822 [0,1,0,0,0,0|1,0,2]=4 777 B9R0.4 CC=CCC(=O)NC(C)C 240690a_100138425928_100121576822 [0,1,0,0,0,0|1,0,2]=4 778 B9R0.4 CC=CCC(=O)NC(C)C 527a_100138425928_100121576822 [0,1,0,0,0,0|1,0,2]=4 779 B9R0.4 CCCCC(=O)CC(C)C 1458a_100000210183_100000210624 [0,1,0,0,0,0|1,0,2]=4 780 B9R0.4 CCCCC(=O)CC(C)C 1458a_100000210554_100000210211 [0,1,0,0,0,0|1,0,2]=4 781 B9R0.4 CCCCC(=O)CC(C)O 1458a_100000210183_100011218427 [0,1,0,0,0,0|1,0,2]=4 782 B9R0.4 CCCCC(=O)C[C@@H](C)O 1458a_100011933948_100000210211 [0,1,0,0,0,0|1,0,2]=4 783 B9R0.4 CCCCC(=O)NC(C)C 11a_100138425928_100000210183 [0,1,0,0,0,0|1,0,2]=4 784 B9R0.4 CCCCC(=O)NC(C)C 1626a_100138425928_100000210183 [0,1,0,0,0,0|1,0,2]=4 785 B9R0.4 CCCCC(=O)NC(C)C 240690a_100138425928_100000210183 [0,1,0,0,0,0|1,0,2]=4 786 B9R0.4 CCCCC(=O)NC(C)C 527a_100138425928_100000210183 [0,1,0,0,0,0|1,0,2]=4 787 B9R0.4 CCNCC(=O)OC(C)C 2230a_100015525214_100011215430 [0,1,0,0,0,0|1,0,2]=4 788 B9R0.4 CCOCC(=O)OC(C)C 34a_100121572206_100011215430 [0,1,0,0,0,0|1,0,2]=4 789 B9R0.4 CCSCC(=O)OC(C)C 62a_100000210202_100011215430 [0,1,0,0,0,0|1,0,2]=4 790 B9R0.4 CCSCC(=O)OC(C)C 62a_100011215430_100000210202 [0,1,0,0,0,0|1,0,2]=4 791 B9R0.4 CNCCC(=O)NC(C)C 2230a_106832991635_100000737564 [0,1,0,0,0,0|2,0,1]=4 792 B9R0.4 CNCCC(=O)NC(C)C 7a_106832991635_100000737564 [0,1,0,0,0,0|2,0,1]=4 793 B9R0.4 CNCCC(=O)OC(C)C 2230a_106832991635_100000760027 [0,1,0,0,0,0|1,0,1]=3 794 B9R0.4 CNCCC(=O)OC(C)C 7a_106832991635_100000760027 [0,1,0,0,0,0|1,0,1]=3 795 B9R0.4 COCCC(=O)CC(C)C 1458a_100000210554_100000233755 [0,1,0,0,0,0|2,0,1]=4 796 B9R0.4 COCCC(=O)CC(C)C 1458a_100000749529_100000210624 [0,1,0,0,0,0|2,0,1]=4 797 B9R0.4 COCCC(=O)CC(C)O 1458a_100000749529_100011218427 [0,1,0,0,0,0|2,0,1]=4 798 B9R0.4 COCCC(=O)C[C@@H](C)O 1458a_100011933948_100000233755 [0,1,0,0,0,0|2,0,1]=4 799 B9R0.4 COCCC(=O)NC(C)C 11a_100138425928_100000749529 [0,1,0,0,0,0|2,0,1]=4 800 B9R0.4 COCCC(=O)NC(C)C 1626a_100138425928_100000749529 [0,1,0,0,0,0|2,0,1]=4 801 B9R0.4 COCCC(=O)NC(C)C 240690a_100138425928_100000749529 [0,1,0,0,0,0|2,0,1]=4 802 B9R0.4 COCCC(=O)NC(C)C 527a_100138425928_100000749529 [0,1,0,0,0,0|2,0,1]=4 803 B9R0.4 CSCCC(=O)CC(C)C 1458a_100000174002_100000210624 [0,1,0,0,0,0|2,0,1]=4 804 B9R0.4 CSCCC(=O)CC(C)C 1458a_100000210554_100000751147 [0,1,0,0,0,0|2,0,1]=4 805 B9R0.4 CSCCC(=O)CC(C)O 1458a_100000174002_100011218427 [0,1,0,0,0,0|2,0,1]=4 806 B9R0.4 CSCCC(=O)C[C@@H](C)O 1458a_100011933948_100000751147 [0,1,0,0,0,0|2,0,1]=4 807 B9R0.4 CSCCC(=O)NC(C)C 11a_100138425928_100000174002 [0,1,0,0,0,0|2,0,1]=4 808 B9R0.4 CSCCC(=O)NC(C)C 1626a_100138425928_100000174002 [0,1,0,0,0,0|2,0,1]=4 809 B9R0.4 CSCCC(=O)NC(C)C 240690a_100138425928_100000174002 [0,1,0,0,0,0|2,0,1]=4 810 B9R0.4 CSCCC(=O)NC(C)C 527a_100138425928_100000174002 [0,1,0,0,0,0|2,0,1]=4 811 B9R0.4 CSCCC(=O)NC(C)C 62a_100000737564_200000210301 [0,1,0,0,0,0|2,0,1]=4 812 B9R0.4 CSCCC(=O)NC(C)C 62a_200000210301_100000737564 [0,1,0,0,0,0|2,0,1]=4 813 B9R0.4 CSCCC(=O)OC(C)C 62a_100000760027_200000210301 [0,1,0,0,0,0|1,0,1]=3 814 B9R0.4 CSCCC(=O)OC(C)C 62a_200000210301_100000760027 [0,1,0,0,0,0|1,0,1]=3 815 B9R0.4 CSCOC(=O)OC(C)C 62a_100000003507_200000210301 [0,1,0,0,0,0|2,0,1]=4 816 B9R0.4 CSCOC(=O)OC(C)C 62a_200000210301_100000003507 [0,1,0,0,0,0|2,0,1]=4 817 B9R0.4 C[C@@H](O)CC(=O)CCC#N 1458a_100011933948_100011215226 [0,1,0,0,0,0|2,0,1]=4 818 B9R0.4 C[C@@H](O)CC(=O)CCCF 1458a_100011933948_100011934791 [0,1,0,0,0,0|2,0,1]=4 819 B9R0.4 C[C@@H](O)CC(=O)CCCO 1458a_100011933948_100011215043 [0,1,0,0,0,0|2,0,1]=4 820 B9R0.5 C#CCC(=O)CCCC=C 1458a_100000766728_100000184674 [0,1,0,0,0,0|1,0,2]=4 821 B9R0.5 C#CCC(=O)CCCC=C 1458a_100011220946_100000757094 [0,1,0,0,0,0|1,0,2]=4 822 B9R0.5 C#CCC(=O)CCOC=C 1458a_100011220946_100000039644 [0,1,0,0,0,0|1,0,2]=4 823 B9R0.5 C#CCC(=O)CSCC=C 1458a_100000230395_100000184674 [0,1,0,0,0,0|1,0,2]=4 824 B9R0.5 C#CCC(=O)NCCC=C 1626a_100015191253_100011220946 [0,1,0,0,0,0|1,0,2]=4 825 B9R0.5 C#CCC(=O)NCCC=C 527a_100015191253_100011220946 [0,1,0,0,0,0|1,0,2]=4 826 B9R0.5 C#CCCCC(=O)CCC 1458a_100000211992_100000731252 [0,1,0,0,0,0|1,0,2]=4 827 B9R0.5 C#CCCCC(=O)CCC 1458a_100000690238_100000210303 [0,1,0,0,0,0|1,0,2]=4 828 B9R0.5 C#CCCCC(=O)NCC 11a_100015525214_100000690238 [0,1,0,0,0,0|1,0,2]=4 829 B9R0.5 C#CCCCC(=O)NCC 240690a_100015525214_100000690238 [0,1,0,0,0,0|1,0,2]=4 830 B9R0.5 C#CCCCC(=O)NCC 527a_100015525214_100000690238 [0,1,0,0,0,0|1,0,2]=4 831 B9R0.5 C#CCCNC(=O)CCC 11a_100000755551_100000211992 [0,1,0,0,0,0|1,0,2]=4 832 B9R0.5 C#CCCNC(=O)CCC 1626a_100000755551_100000211992 [0,1,0,0,0,0|1,0,2]=4 833 B9R0.5 C#CCCNC(=O)CCC 240690a_100000755551_100000211992 [0,1,0,0,0,0|1,0,2]=4 834 B9R0.5 C#CCCNC(=O)CCC 527a_100000755551_100000211992 [0,1,0,0,0,0|1,0,2]=4 835 B9R0.5 C#CCCNC(=O)NCC 2708a_100000755551_100015525214 [0,1,0,0,0,0|1,0,2]=4 836 B9R0.5 C#CCCNC(=O)NCC 2708a_100015525214_100000755551 [0,1,0,0,0,0|1,0,2]=4 837 B9R0.5 C#CCCNC(=O)NCC 273464a_100000755551_100015525214 [0,1,0,0,0,0|1,0,2]=4 838 B9R0.5 C#CCCNC(=O)NCC 273464a_100015525214_100000755551 [0,1,0,0,0,0|1,0,2]=4 839 B9R0.5 C#CCCNC(=O)NCC 512a_100000755551_100015525214 [0,1,0,0,0,0|1,0,2]=4 840 B9R0.5 C#CCCNC(=O)NCC 512a_100015525214_100000755551 [0,1,0,0,0,0|1,0,2]=4 841 B9R0.5 C#CCNCC(=O)NCC 2230a_100016988866_100000038162 [0,1,0,0,0,0|1,0,2]=4 842 B9R0.5 C#CCNCC(=O)NCC 34a_100000212058_100000183381 [0,1,0,0,0,0|1,0,2]=4 843 B9R0.5 C#CCNCC(=O)OCC 34a_100000212058_100000188475 [0,1,0,0,0,0|0,0,2]=3 844 B9R0.5 C#CCOCC(=O)CCC 1458a_100011251226_100000210303 [0,1,0,0,0,0|1,0,2]=4 845 B9R0.5 C#CCOCC(=O)NCC 11a_100015525214_100011251226 [0,1,0,0,0,0|1,0,2]=4 846 B9R0.5 C#CCOCC(=O)NCC 34a_100000210247_100000183381 [0,1,0,0,0,0|1,0,2]=4 847 B9R0.5 C#CCOCC(=O)NCC 527a_100015525214_100011251226 [0,1,0,0,0,0|1,0,2]=4 848 B9R0.5 C#CCOCC(=O)OCC 34a_100000210247_100000188475 [0,1,0,0,0,0|0,0,2]=3 849 B9R0.5 C#CCSCC(=O)CCC 62a_100000038162_100000747444 [0,1,0,0,0,0|1,0,2]=4 850 B9R0.5 C#CCSCC(=O)NCC 62a_100000038162_100000183381 [0,1,0,0,0,0|1,0,2]=4 851 B9R0.5 C#CCSCC(=O)OCC 62a_100000038162_100000188475 [0,1,0,0,0,0|0,0,2]=3 852 B9R0.5 C/C=C/C=CC(=O)CCC 1458a_100000185730_100000210303 [0,1,0,0,0,0|1,0,2]=4 853 B9R0.5 C/C=C/C=CC(=O)NCC 11a_100015525214_100000185730 [0,1,0,0,0,0|1,0,2]=4 854 B9R0.5 C/C=C/C=CC(=O)NCC 240690a_100015525214_100000185730 [0,1,0,0,0,0|1,0,2]=4 855 B9R0.5 C=CCC(=O)CCOC=C 1458a_100000210193_100000039644 [0,1,0,0,0,0|1,0,2]=4 856 B9R0.5 C=CCCCC(=O)C#CC 1458a_100000763181_100000757094 [0,1,0,0,0,0|1,0,1]=3 857 B9R0.5 C=CCCCC(=O)C=CBr 1458a_100016273825_100000757094 [0,1,0,0,0,0|2,0,1]=4 858 B9R0.5 C=CCCCC(=O)C=CC 1458a_100000210699_100000757094 [0,1,0,0,0,0|1,0,1]=3 859 B9R0.5 C=CCCCC(=O)C=CCl 1458a_200016279998_100000757094 [0,1,0,0,0,0|2,0,1]=4 860 B9R0.5 C=CCCCC(=O)C=CI 1458a_100016256311_100000757094 [0,1,0,0,0,0|2,0,1]=4 861 B9R0.5 C=CCCCC(=O)CC#N 1458a_100000766728_100011214920 [0,1,0,0,0,0|2,0,1]=4 862 B9R0.5 C=CCCCC(=O)CC#N 1458a_100051588842_100000757094 [0,1,0,0,0,0|2,0,1]=4 863 B9R0.5 C=CCCCC(=O)CC=C 1458a_100000210193_100000757094 [0,1,0,0,0,0|1,0,2]=4 864 B9R0.5 C=CCCCC(=O)CC=C 1458a_100000766728_100000210623 [0,1,0,0,0,0|1,0,2]=4 865 B9R0.5 C=CCCCC(=O)CCC 1458a_100000211992_100000757094 [0,1,0,0,0,0|1,0,0]=2 866 B9R0.5 C=CCCCC(=O)CCC 1458a_100000766728_100000210303 [0,1,0,0,0,0|1,0,0]=2 867 B9R0.5 C=CCCCC(=O)CCF 1458a_100000766728_100011217306 [0,1,0,0,0,0|2,0,0]=3 868 B9R0.5 C=CCCCC(=O)CCO 1458a_100000766728_100000211926 [0,1,0,0,0,0|2,0,0]=3 869 B9R0.5 C=CCCCC(=O)CCO 1458a_100011216618_100000757094 [0,1,0,0,0,0|2,0,0]=3 870 B9R0.5 C=CCCCC(=O)COC 1458a_100000210968_100000757094 [0,1,0,0,0,0|2,0,0]=3 871 B9R0.5 C=CCCCC(=O)CSC 1458a_100000184570_100000757094 [0,1,0,0,0,0|2,0,0]=3 872 B9R0.5 C=CCCCC(=O)NCC 11a_100015525214_100000766728 [0,1,0,0,0,0|1,0,0]=2 873 B9R0.5 C=CCCCC(=O)NCC 240690a_100015525214_100000766728 [0,1,0,0,0,0|1,0,0]=2 874 B9R0.5 C=CCCCC(=O)NCC 527a_100015525214_100000766728 [0,1,0,0,0,0|1,0,0]=2 875 B9R0.5 C=CCCCC(=O)NNC 22a_100016993582_100000766728 [0,1,0,0,0,0|2,0,0]=3 876 B9R0.5 C=CCCCN(C)CCC 2230a_100000747261_100011713584 [0,1,0,0,0,0|3,0,0]=4 877 B9R0.5 C=CCCCN(C)CCC 269982a_100000747261_100000757094 [0,1,0,0,0,0|3,0,0]=4 878 B9R0.5 C=CCCNC(=O)C=CBr 1626a_100015191253_100016273825 [0,1,0,0,0,0|2,0,1]=4 879 B9R0.5 C=CCCNC(=O)C=CBr 240690a_100015191253_100016273825 [0,1,0,0,0,0|2,0,1]=4 880 B9R0.5 C=CCCNC(=O)C=CC 11a_100015191253_100000210699 [0,1,0,0,0,0|1,0,1]=3 881 B9R0.5 C=CCCNC(=O)C=CC 1626a_100015191253_100000210699 [0,1,0,0,0,0|1,0,1]=3 882 B9R0.5 C=CCCNC(=O)C=CC 240690a_100015191253_100000210699 [0,1,0,0,0,0|1,0,1]=3 883 B9R0.5 C=CCCNC(=O)C=CCl 11a_100015191253_200016279998 [0,1,0,0,0,0|2,0,1]=4 884 B9R0.5 C=CCCNC(=O)C=CCl 1626a_100015191253_200016279998 [0,1,0,0,0,0|2,0,1]=4 885 B9R0.5 C=CCCNC(=O)C=CCl 240690a_100015191253_200016279998 [0,1,0,0,0,0|2,0,1]=4 886 B9R0.5 C=CCCNC(=O)C=CI 1626a_100015191253_100016256311 [0,1,0,0,0,0|2,0,1]=4 887 B9R0.5 C=CCCNC(=O)CC#N 1626a_100015191253_100051588842 [0,1,0,0,0,0|2,0,1]=4 888 B9R0.5 C=CCCNC(=O)CC#N 240690a_100015191253_100051588842 [0,1,0,0,0,0|2,0,1]=4 889 B9R0.5 C=CCCNC(=O)CC=C 11a_100015191253_100000210193 [0,1,0,0,0,0|1,0,2]=4 890 B9R0.5 C=CCCNC(=O)CC=C 1626a_100015191253_100000210193 [0,1,0,0,0,0|1,0,2]=4 891 B9R0.5 C=CCCNC(=O)CC=C 240690a_100015191253_100000210193 [0,1,0,0,0,0|1,0,2]=4 892 B9R0.5 C=CCCNC(=O)CC=C 527a_100015191253_100000210193 [0,1,0,0,0,0|1,0,2]=4 893 B9R0.5 C=CCCNC(=O)CCC 11a_100015191253_100000211992 [0,1,0,0,0,0|1,0,0]=2 894 B9R0.5 C=CCCNC(=O)CCC 1626a_100015191253_100000211992 [0,1,0,0,0,0|1,0,0]=2 895 B9R0.5 C=CCCNC(=O)CCC 240690a_100015191253_100000211992 [0,1,0,0,0,0|1,0,0]=2 896 B9R0.5 C=CCCNC(=O)CCC 527a_100015191253_100000211992 [0,1,0,0,0,0|1,0,0]=2 897 B9R0.5 C=CCCNC(=O)CCO 240690a_100015191253_100011216618 [0,1,0,0,0,0|2,0,0]=3 898 B9R0.5 C=CCCNC(=O)COC 11a_100015191253_100000210968 [0,1,0,0,0,0|2,0,0]=3 899 B9R0.5 C=CCCNC(=O)COC 1626a_100015191253_100000210968 [0,1,0,0,0,0|2,0,0]=3 900 B9R0.5 C=CCCNC(=O)COC 240690a_100015191253_100000210968 [0,1,0,0,0,0|2,0,0]=3 901 B9R0.5 C=CCCNC(=O)COC 527a_100015191253_100000210968 [0,1,0,0,0,0|2,0,0]=3 902 B9R0.5 C=CCCNC(=O)CSC 11a_100015191253_100000184570 [0,1,0,0,0,0|2,0,0]=3 903 B9R0.5 C=CCCNC(=O)CSC 1626a_100015191253_100000184570 [0,1,0,0,0,0|2,0,0]=3 904 B9R0.5 C=CCCNC(=O)CSC 240690a_100015191253_100000184570 [0,1,0,0,0,0|2,0,0]=3 905 B9R0.5 C=CCCNC(=O)CSC 527a_100015191253_100000184570 [0,1,0,0,0,0|2,0,0]=3 906 B9R0.5 C=CCCNC(=O)NCC 2708a_100015191253_100015525214 [0,1,0,0,0,0|1,0,0]=2 907 B9R0.5 C=CCCNC(=O)NCC 2708a_100015525214_100015191253 [0,1,0,0,0,0|1,0,0]=2 908 B9R0.5 C=CCCNC(=O)NCC 273464a_100015191253_100015525214 [0,1,0,0,0,0|1,0,0]=2 909 B9R0.5 C=CCCNC(=O)NCC 273464a_100015525214_100015191253 [0,1,0,0,0,0|1,0,0]=2 910 B9R0.5 C=CCCNC(=O)NCC 512a_100015191253_100015525214 [0,1,0,0,0,0|1,0,0]=2 911 B9R0.5 C=CCCNC(=O)NCC 512a_100015525214_100015191253 [0,1,0,0,0,0|1,0,0]=2 912 B9R0.5 C=CCCNC(=O)NNC 273464a_100015191253_100016993582 [0,1,0,0,0,0|2,0,0]=3 913 B9R0.5 C=CCCNC(=O)NNC 512a_100015191253_100016993582 [0,1,0,0,0,0|2,0,0]=3 914 B9R0.5 C=CCCNC(=O)NNC 512a_100016993582_100015191253 [0,1,0,0,0,0|2,0,0]=3 915 B9R0.5 C=CCCNC(C)CCC 2230a_100000741246_100000754431 [0,1,0,0,0,0|2,0,1]=4 916 B9R0.5 C=CCCNC(C)CCC 2230a_100015191253_100000766640 [0,1,0,0,0,0|2,0,1]=4 917 B9R0.5 C=CCCNC(C)CCC 270004a_100015191253_100000211909 [0,1,0,0,0,0|2,0,1]=4 918 B9R0.5 C=CCCOC(C)CCC 34a_100000764384_100000754431 [0,1,0,0,0,0|2,0,1]=4 919 B9R0.5 C=CCCOC(C)CCC 34a_100011205117_100000766640 [0,1,0,0,0,0|2,0,1]=4 920 B9R0.5 C=CCCOC(C)CCC 7a_100000764384_100000754431 [0,1,0,0,0,0|2,0,1]=4 921 B9R0.5 C=CCCSC(C)CCC 62a_100000754431_100000766640 [0,1,0,0,0,0|2,0,1]=4 922 B9R0.5 C=CCCSC(C)CCC 62a_100000766640_100000754431 [0,1,0,0,0,0|2,0,1]=4 923 B9R0.5 C=CCNCC(=O)CCC 2230a_100020586998_100000747444 [0,1,0,0,0,0|1,0,0]=2 924 B9R0.5 C=CCNCC(=O)NCC 2230a_100016988866_100000210623 [0,1,0,0,0,0|1,0,0]=2 925 B9R0.5 C=CCNCC(=O)NCC 2230a_100020586998_100000183381 [0,1,0,0,0,0|1,0,0]=2 926 B9R0.5 C=CCNCC(=O)NCO 2230a_100020586998_100000185155 [0,1,0,0,0,0|2,0,0]=3 927 B9R0.5 C=CCNCC(=O)OC=C 2230a_100020586998_100000036128 [0,1,0,0,0,0|0,0,2]=3 928 B9R0.5 C=CCNCC(=O)OCC 2230a_100020586998_100000188475 [0,1,0,0,0,0|0,0,0]=1 929 B9R0.5 C=CCNCC(C)CCC 2230a_100020586998_100011216630 [0,1,0,0,0,0|2,0,1]=4 930 B9R0.5 C=CCNCC(C)CCC 270004a_100020586998_100000243154 [0,1,0,0,0,0|2,0,1]=4 931 B9R0.5 C=CCNNC(=O)C#CC 22a_100020588587_100000763181 [0,1,0,0,0,0|2,0,1]=4 932 B9R0.5 C=CCNNC(=O)C=CC 22a_100020588587_100000210699 [0,1,0,0,0,0|2,0,1]=4 933 B9R0.5 C=CCNNC(=O)CCC 22a_100020588587_100000211992 [0,1,0,0,0,0|2,0,0]=3 934 B9R0.5 C=CCNNC(=O)CCO 22a_100020588587_100011216618 [0,1,0,0,0,0|3,0,0]=4 935 B9R0.5 C=CCNNC(=O)COC 22a_100020588587_100000210968 [0,1,0,0,0,0|3,0,0]=4 936 B9R0.5 C=CCNNC(=O)CSC 22a_100020588587_100000184570 [0,1,0,0,0,0|3,0,0]=4 937 B9R0.5 C=CCNNC(=O)NCC 273464a_100015525214_100020588587 [0,1,0,0,0,0|2,0,0]=3 938 B9R0.5 C=CCNNC(=O)NCC 512a_100015525214_100020588587 [0,1,0,0,0,0|2,0,0]=3 939 B9R0.5 C=CCNNC(=O)NCC 512a_100020588587_100015525214 [0,1,0,0,0,0|2,0,0]=3 940 B9R0.5 C=CCNNC(=O)NNC 512a_100016993582_100020588587 [0,1,0,0,0,0|3,0,0]=4 941 B9R0.5 C=CCNNC(=O)NNC 512a_100020588587_100016993582 [0,1,0,0,0,0|3,0,0]=4 942 B9R0.5 C=CCOCC(=O)NCC 34a_200000210373_100000183381 [0,1,0,0,0,0|1,0,0]=2 943 B9R0.5 C=CCOCC(=O)NCO 34a_200000210373_100000185155 [0,1,0,0,0,0|2,0,0]=3 944 B9R0.5 C=CCOCC(=O)OC=C 34a_200000210373_100000036128 [0,1,0,0,0,0|0,0,2]=3 945 B9R0.5 C=CCOCC(=O)OCC 34a_200000210373_100000188475 [0,1,0,0,0,0|0,0,0]=1 946 B9R0.5 C=CCOCC(C)CCC 34a_100000688023_100015514636 [0,1,0,0,0,0|2,0,1]=4 947 B9R0.5 C=CCOCC(C)CCC 34a_200000210373_100011216630 [0,1,0,0,0,0|2,0,1]=4 948 B9R0.5 C=CCOCC(C)CCC 7a_100000688023_100015514636 [0,1,0,0,0,0|2,0,1]=4 949 B9R0.5 C=CCOC[C@@H](N)CCC 34a_100000732646_100015514636 [0,1,0,0,0,0|2,0,1]=4 950 B9R0.5 C=CCSCC(=O)CC#N 1458a_100000230395_100011214920 [0,1,0,0,0,0|2,0,1]=4 951 B9R0.5 C=CCSCC(=O)CC=C 1458a_100000230395_100000210623 [0,1,0,0,0,0|1,0,2]=4 952 B9R0.5 C=CCSCC(=O)CCC 1458a_100000230395_100000210303 [0,1,0,0,0,0|1,0,0]=2 953 B9R0.5 C=CCSCC(=O)CCC 62a_100000210623_100000747444 [0,1,0,0,0,0|1,0,0]=2 954 B9R0.5 C=CCSCC(=O)CCC 62a_100000747444_100000210623 [0,1,0,0,0,0|1,0,0]=2 955 B9R0.5 C=CCSCC(=O)CCF 1458a_100000230395_100011217306 [0,1,0,0,0,0|2,0,0]=3 956 B9R0.5 C=CCSCC(=O)CCO 1458a_100000230395_100000211926 [0,1,0,0,0,0|2,0,0]=3 957 B9R0.5 C=CCSCC(=O)NCC 11a_100015525214_100000230395 [0,1,0,0,0,0|1,0,0]=2 958 B9R0.5 C=CCSCC(=O)NCC 240690a_100015525214_100000230395 [0,1,0,0,0,0|1,0,0]=2 959 B9R0.5 C=CCSCC(=O)NCC 527a_100015525214_100000230395 [0,1,0,0,0,0|1,0,0]=2 960 B9R0.5 C=CCSCC(=O)NCC 62a_100000183381_100000210623 [0,1,0,0,0,0|1,0,0]=2 961 B9R0.5 C=CCSCC(=O)NCC 62a_100000210623_100000183381 [0,1,0,0,0,0|1,0,0]=2 962 B9R0.5 C=CCSCC(=O)NCO 62a_100000185155_100000210623 [0,1,0,0,0,0|2,0,0]=3 963 B9R0.5 C=CCSCC(=O)NCO 62a_100000210623_100000185155 [0,1,0,0,0,0|2,0,0]=3 964 B9R0.5 C=CCSCC(=O)NNC 22a_100016993582_100000230395 [0,1,0,0,0,0|2,0,0]=3 965 B9R0.5 C=CCSCC(=O)OC=C 62a_100000036128_100000210623 [0,1,0,0,0,0|0,0,2]=3 966 B9R0.5 C=CCSCC(=O)OC=C 62a_100000210623_100000036128 [0,1,0,0,0,0|0,0,2]=3 967 B9R0.5 C=CCSCC(=O)OCC 62a_100000188475_100000210623 [0,1,0,0,0,0|0,0,0]=1 968 B9R0.5 C=CCSCC(=O)OCC 62a_100000210623_100000188475 [0,1,0,0,0,0|0,0,0]=1 969 B9R0.5 C=CCSCC(C)CCC 62a_100000210623_100011216630 [0,1,0,0,0,0|2,0,1]=4 970 B9R0.5 C=CCSCC(C)CCC 62a_100011216630_100000210623 [0,1,0,0,0,0|2,0,1]=4 971 B9R0.5 C=COC(=O)CSCC=O 62a_100000036128_200015260668 [0,1,0,0,0,0|1,0,2]=4 972 B9R0.5 C=COC(=O)CSCC=O 62a_200015260668_100000036128 [0,1,0,0,0,0|1,0,2]=4 973 B9R0.5 C=COCCC(=O)C#CC 1458a_100000763181_100000039644 [0,1,0,0,0,0|1,0,1]=3 974 B9R0.5 C=COCCC(=O)C=CBr 1458a_100016273825_100000039644 [0,1,0,0,0,0|2,0,1]=4 975 B9R0.5 C=COCCC(=O)C=CC 1458a_100000210699_100000039644 [0,1,0,0,0,0|1,0,1]=3 976 B9R0.5 C=COCCC(=O)C=CCl 1458a_200016279998_100000039644 [0,1,0,0,0,0|2,0,1]=4 977 B9R0.5 C=COCCC(=O)C=CI 1458a_100016256311_100000039644 [0,1,0,0,0,0|2,0,1]=4 978 B9R0.5 C=COCCC(=O)CC#N 1458a_100051588842_100000039644 [0,1,0,0,0,0|2,0,1]=4 979 B9R0.5 C=COCCC(=O)CCC 1458a_100000211992_100000039644 [0,1,0,0,0,0|1,0,0]=2 980 B9R0.5 C=COCCC(=O)CCO 1458a_100011216618_100000039644 [0,1,0,0,0,0|2,0,0]=3 981 B9R0.5 C=COCCC(=O)COC 1458a_100000210968_100000039644 [0,1,0,0,0,0|2,0,0]=3 982 B9R0.5 C=COCCC(=O)CSC 1458a_100000184570_100000039644 [0,1,0,0,0,0|2,0,0]=3 983 B9R0.5 C=COCCN(C)CCC 2230a_100000747261_100000039644 [0,1,0,0,0,0|3,0,0]=4 984 B9R0.5 C=COCCN(C)CCC 269982a_100000747261_100000039644 [0,1,0,0,0,0|3,0,0]=4 985 B9R0.5 CC/C=C/CC(=O)CCC 1458a_100016274230_100000210303 [0,1,0,0,0,0|1,0,2]=4 986 B9R0.5 CC/C=C/CC(=O)NCC 11a_100015525214_100016274230 [0,1,0,0,0,0|1,0,2]=4 987 B9R0.5 CC/C=C/CC(=O)NCC 240690a_100015525214_100016274230 [0,1,0,0,0,0|1,0,2]=4 988 B9R0.5 CC/C=C/CC(=O)NCC 527a_100015525214_100016274230 [0,1,0,0,0,0|1,0,2]=4 989 B9R0.5 CC/C=C\CC(=O)CCC 1458a_100000211992_100103147603 [0,1,0,0,0,0|1,0,2]=4 990 B9R0.5 CCCC(=O)CCCC#N 1458a_100000075515_100000210303 [0,1,0,0,0,0|1,0,2]=4 991 B9R0.5 CCCC(=O)CCCC#N 1458a_100000211992_100000211468 [0,1,0,0,0,0|1,0,2]=4 992 B9R0.5 CCCC(=O)CCCCF 1458a_100000211992_100000729493 [0,1,0,0,0,0|1,0,2]=4 993 B9R0.5 CCCC(=O)CCCCO 1458a_100000211992_100000210776 [0,1,0,0,0,0|1,0,2]=4 994 B9R0.5 CCCC(=O)CCCCO 1458a_100000695505_100000210303 [0,1,0,0,0,0|1,0,2]=4 995 B9R0.5 CCCC(=O)CCCOC 1458a_100000211992_100000740836 [0,1,0,0,0,0|1,0,2]=4 996 B9R0.5 CCCC(=O)CCCOC 1458a_100000741012_100000210303 [0,1,0,0,0,0|1,0,2]=4 997 B9R0.5 CCCC(=O)CCCSC 1458a_100000173376_100000210303 [0,1,0,0,0,0|1,0,2]=4 998 B9R0.5 CCCC(=O)CCN=[N+]=[N-] 1458a_100000688302_100000210303 [0,1,0,0,0,0|3,0,0]=4 999 B9R0.5 CCCC(=O)CCOCC 1458a_100000211992_100011215890 [0,1,0,0,0,0|1,0,2]=4 1000 B9R0.5 CCCC(=O)CCOCC 1458a_100000749530_100000210303 [0,1,0,0,0,0|1,0,2]=4 1001 B9R0.5 CCCC(=O)CCSCC 1458a_100000211992_100000757381 [0,1,0,0,0,0|1,0,2]=4 1002 B9R0.5 CCCC(=O)CCSCC 1458a_100000230768_100000210303 [0,1,0,0,0,0|1,0,2]=4 1003 B9R0.5 CCCC(=O)CNCCO 2230a_100016997473_100000747444 [0,1,0,0,0,0|2,0,1]=4 1004 B9R0.5 CCCC(=O)COCCO 1458a_100000708028_100000210303 [0,1,0,0,0,0|2,0,1]=4 1005 B9R0.5 CCCC(=O)CSCC#N 1458a_100000150266_100000210303 [0,1,0,0,0,0|2,0,1]=4 1006 B9R0.5 CCCC(=O)CSCC#N 62a_100000747444_100011215382 [0,1,0,0,0,0|2,0,1]=4 1007 B9R0.5 CCCC(=O)CSCC#N 62a_100011215382_100000747444 [0,1,0,0,0,0|2,0,1]=4 1008 B9R0.5 CCCC(=O)CSCC=O 62a_100000747444_200015260668 [0,1,0,0,0,0|2,0,0]=3 1009 B9R0.5 CCCC(=O)CSCC=O 62a_200015260668_100000747444 [0,1,0,0,0,0|2,0,0]=3 1010 B9R0.5 CCCC(=O)CSCCF 62a_100000747444_100011217306 [0,1,0,0,0,0|2,0,1]=4 1011 B9R0.5 CCCC(=O)CSCCF 62a_100011217306_100000747444 [0,1,0,0,0,0|2,0,1]=4 1012 B9R0.5 CCCC(=O)CSCCO 62a_100000211926_100000747444 [0,1,0,0,0,0|2,0,1]=4 1013 B9R0.5 CCCC(=O)CSCCO 62a_100000747444_100000211926 [0,1,0,0,0,0|2,0,1]=4 1014 B9R0.5 CCCC(=O)CSCOC 62a_100000747444_100000766300 [0,1,0,0,0,0|2,0,1]=4 1015 B9R0.5 CCCC(=O)CSCOC 62a_100000766300_100000747444 [0,1,0,0,0,0|2,0,1]=4 1016 B9R0.5 CCCC(=O)CSCSC 62a_100000747444_100011218213 [0,1,0,0,0,0|2,0,1]=4 1017 B9R0.5 CCCC(=O)CSCSC 62a_100011218213_100000747444 [0,1,0,0,0,0|2,0,1]=4 1018 B9R0.5 CCCC(=O)NCCC#N 11a_100000720768_100000211992 [0,1,0,0,0,0|2,0,1]=4 1019 B9R0.5 CCCC(=O)NCCC#N 1626a_100000720768_100000211992 [0,1,0,0,0,0|2,0,1]=4 1020 B9R0.5 CCCC(=O)NCCC#N 240690a_100000720768_100000211992 [0,1,0,0,0,0|2,0,1]=4 1021 B9R0.5 CCCC(=O)NCCC#N 527a_100000720768_100000211992 [0,1,0,0,0,0|2,0,1]=4 1022 B9R0.5 CCCC(=O)NCCCF 11a_100015189416_100000211992 [0,1,0,0,0,0|2,0,1]=4 1023 B9R0.5 CCCC(=O)NCCCF 1626a_100015189416_100000211992 [0,1,0,0,0,0|2,0,1]=4 1024 B9R0.5 CCCC(=O)NCCCF 240690a_100015189416_100000211992 [0,1,0,0,0,0|2,0,1]=4 1025 B9R0.5 CCCC(=O)NCCCF 527a_100015189416_100000211992 [0,1,0,0,0,0|2,0,1]=4 1026 B9R0.5 CCCC(=O)NCCCO 240690a_100000182051_100000211992 [0,1,0,0,0,0|2,0,1]=4 1027 B9R0.5 CCCC(=O)NCCCO 527a_100000182051_100000211992 [0,1,0,0,0,0|2,0,1]=4 1028 B9R0.5 CCCC(=O)NCCOC 1626a_100000209980_100000211992 [0,1,0,0,0,0|2,0,1]=4 1029 B9R0.5 CCCC(=O)NCCOC 240690a_100000209980_100000211992 [0,1,0,0,0,0|2,0,1]=4 1030 B9R0.5 CCCC(=O)NCCOC 527a_100000209980_100000211992 [0,1,0,0,0,0|2,0,1]=4 1031 B9R0.5 CCCC(=O)NCCSC 11a_100020590264_100000211992 [0,1,0,0,0,0|2,0,1]=4 1032 B9R0.5 CCCC(=O)NCCSC 1626a_100020590264_100000211992 [0,1,0,0,0,0|2,0,1]=4 1033 B9R0.5 CCCC(=O)NCCSC 240690a_100020590264_100000211992 [0,1,0,0,0,0|2,0,1]=4 1034 B9R0.5 CCCC(=O)NCCSC 527a_100020590264_100000211992 [0,1,0,0,0,0|2,0,1]=4 1035 B9R0.5 CCCCCC(=O)CCC 1458a_100000211992_100000210326 [0,1,0,0,0,0|1,0,2]=4 1036 B9R0.5 CCCCCC(=O)CCC 1458a_100000212188_100000210303 [0,1,0,0,0,0|1,0,2]=4 1037 B9R0.5 CCCCCC(=O)NCC 11a_100015525214_100000212188 [0,1,0,0,0,0|1,0,2]=4 1038 B9R0.5 CCCCCC(=O)NCC 240690a_100015525214_100000212188 [0,1,0,0,0,0|1,0,2]=4 1039 B9R0.5 CCCCCC(=O)NCC 527a_100015525214_100000212188 [0,1,0,0,0,0|1,0,2]=4 1040 B9R0.5 CCCCNC(=O)CCC 11a_100000102301_100000211992 [0,1,0,0,0,0|1,0,2]=4 1041 B9R0.5 CCCCNC(=O)CCC 1626a_100000102301_100000211992 [0,1,0,0,0,0|1,0,2]=4 1042 B9R0.5 CCCCNC(=O)CCC 240690a_100000102301_100000211992 [0,1,0,0,0,0|1,0,2]=4 1043 B9R0.5 CCCCNC(=O)CCC 527a_100000102301_100000211992 [0,1,0,0,0,0|1,0,2]=4 1044 B9R0.5 CCCCNC(=O)NCC 2708a_100000102301_100015525214 [0,1,0,0,0,0|1,0,2]=4 1045 B9R0.5 CCCCNC(=O)NCC 2708a_100015525214_100000102301 [0,1,0,0,0,0|1,0,2]=4 1046 B9R0.5 CCCCNC(=O)NCC 273464a_100000102301_100015525214 [0,1,0,0,0,0|1,0,2]=4 1047 B9R0.5 CCCCNC(=O)NCC 273464a_100015525214_100000102301 [0,1,0,0,0,0|1,0,2]=4 1048 B9R0.5 CCCCNC(=O)NCC 512a_100000102301_100015525214 [0,1,0,0,0,0|1,0,2]=4 1049 B9R0.5 CCCCNC(=O)NCC 512a_100015525214_100000102301 [0,1,0,0,0,0|1,0,2]=4 1050 B9R0.5 CCCNCC(=O)NCC 2230a_100016988866_100000210303 [0,1,0,0,0,0|1,0,2]=4 1051 B9R0.5 CCCOCC(=O)CCC 1458a_100000745993_100000210303 [0,1,0,0,0,0|1,0,2]=4 1052 B9R0.5 CCCOCC(=O)NCC 11a_100015525214_100000745993 [0,1,0,0,0,0|1,0,2]=4 1053 B9R0.5 CCCOCC(=O)NCC 240690a_100015525214_100000745993 [0,1,0,0,0,0|1,0,2]=4 1054 B9R0.5 CCCOCC(=O)NCC 34a_100000210258_100000183381 [0,1,0,0,0,0|1,0,2]=4 1055 B9R0.5 CCCOCC(=O)NCC 527a_100015525214_100000745993 [0,1,0,0,0,0|1,0,2]=4 1056 B9R0.5 CCCOCC(=O)OCC 34a_100000210258_100000188475 [0,1,0,0,0,0|0,0,2]=3 1057 B9R0.5 CCCSCC(=O)CCC 1458a_100000217233_100000210303 [0,1,0,0,0,0|1,0,2]=4 1058 B9R0.5 CCCSCC(=O)CCC 62a_100000210303_100000747444 [0,1,0,0,0,0|1,0,2]=4 1059 B9R0.5 CCCSCC(=O)CCC 62a_100000747444_100000210303 [0,1,0,0,0,0|1,0,2]=4 1060 B9R0.5 CCCSCC(=O)NCC 11a_100015525214_100000217233 [0,1,0,0,0,0|1,0,2]=4 1061 B9R0.5 CCCSCC(=O)NCC 240690a_100015525214_100000217233 [0,1,0,0,0,0|1,0,2]=4 1062 B9R0.5 CCCSCC(=O)NCC 527a_100015525214_100000217233 [0,1,0,0,0,0|1,0,2]=4 1063 B9R0.5 CCCSCC(=O)NCC 62a_100000183381_100000210303 [0,1,0,0,0,0|1,0,2]=4 1064 B9R0.5 CCCSCC(=O)NCC 62a_100000210303_100000183381 [0,1,0,0,0,0|1,0,2]=4 1065 B9R0.5 CCCSCC(=O)OCC 62a_100000188475_100000210303 [0,1,0,0,0,0|0,0,2]=3 1066 B9R0.5 CCCSCC(=O)OCC 62a_100000210303_100000188475 [0,1,0,0,0,0|0,0,2]=3 1067 B9R0.5 CCNC(=O)CCCC#N 11a_100015525214_100000075515 [0,1,0,0,0,0|1,0,2]=4 1068 B9R0.5 CCNC(=O)CCCC#N 240690a_100015525214_100000075515 [0,1,0,0,0,0|1,0,2]=4 1069 B9R0.5 CCNC(=O)CCCC#N 527a_100015525214_100000075515 [0,1,0,0,0,0|1,0,2]=4 1070 B9R0.5 CCNC(=O)CCCOC 11a_100015525214_100000741012 [0,1,0,0,0,0|1,0,2]=4 1071 B9R0.5 CCNC(=O)CCCOC 240690a_100015525214_100000741012 [0,1,0,0,0,0|1,0,2]=4 1072 B9R0.5 CCNC(=O)CCCOC 527a_100015525214_100000741012 [0,1,0,0,0,0|1,0,2]=4 1073 B9R0.5 CCNC(=O)CCCSC 11a_100015525214_100000173376 [0,1,0,0,0,0|1,0,2]=4 1074 B9R0.5 CCNC(=O)CCCSC 240690a_100015525214_100000173376 [0,1,0,0,0,0|1,0,2]=4 1075 B9R0.5 CCNC(=O)CCCSC 527a_100015525214_100000173376 [0,1,0,0,0,0|1,0,2]=4 1076 B9R0.5 CCNC(=O)CCN=[N+]=[N-] 11a_100015525214_100000688302 [0,1,0,0,0,0|3,0,0]=4 1077 B9R0.5 CCNC(=O)CCN=[N+]=[N-] 240690a_100015525214_100000688302 [0,1,0,0,0,0|3,0,0]=4 1078 B9R0.5 CCNC(=O)CCNCF 34a_100025743525_100015361967 [0,1,0,0,0,0|2,0,1]=4 1079 B9R0.5 CCNC(=O)CCOCC 11a_100015525214_100000749530 [0,1,0,0,0,0|1,0,2]=4 1080 B9R0.5 CCNC(=O)CCOCC 240690a_100015525214_100000749530 [0,1,0,0,0,0|1,0,2]=4 1081 B9R0.5 CCNC(=O)CCOCC 527a_100015525214_100000749530 [0,1,0,0,0,0|1,0,2]=4 1082 B9R0.5 CCNC(=O)CCSCC 11a_100015525214_100000230768 [0,1,0,0,0,0|1,0,2]=4 1083 B9R0.5 CCNC(=O)CCSCC 240690a_100015525214_100000230768 [0,1,0,0,0,0|1,0,2]=4 1084 B9R0.5 CCNC(=O)CCSCC 527a_100015525214_100000230768 [0,1,0,0,0,0|1,0,2]=4 1085 B9R0.5 CCNC(=O)CCSCC 62a_100000210202_100000737597 [0,1,0,0,0,0|1,0,2]=4 1086 B9R0.5 CCNC(=O)CCSCC 62a_100000737597_100000210202 [0,1,0,0,0,0|1,0,2]=4 1087 B9R0.5 CCNC(=O)CCSCF 62a_100000737597_100015361967 [0,1,0,0,0,0|2,0,1]=4 1088 B9R0.5 CCNC(=O)CCSCF 62a_100015361967_100000737597 [0,1,0,0,0,0|2,0,1]=4 1089 B9R0.5 CCNC(=O)CNCC#N 2230a_100016988866_100011215382 [0,1,0,0,0,0|2,0,1]=4 1090 B9R0.5 CCNC(=O)CNCC=O 2230a_100016988866_200015260668 [0,1,0,0,0,0|2,0,0]=3 1091 B9R0.5 CCNC(=O)CNCCF 2230a_100016988866_100011217306 [0,1,0,0,0,0|2,0,1]=4 1092 B9R0.5 CCNC(=O)CNCCF 34a_100000724931_100000183381 [0,1,0,0,0,0|2,0,1]=4 1093 B9R0.5 CCNC(=O)CNCCO 2230a_100016988866_100000211926 [0,1,0,0,0,0|2,0,1]=4 1094 B9R0.5 CCNC(=O)CNCCO 2230a_100016997473_100000183381 [0,1,0,0,0,0|2,0,1]=4 1095 B9R0.5 CCNC(=O)CNCCO 34a_100016990907_100000183381 [0,1,0,0,0,0|2,0,1]=4 1096 B9R0.5 CCNC(=O)CNCOC 2230a_100016988866_100000766300 [0,1,0,0,0,0|2,0,1]=4 1097 B9R0.5 CCNC(=O)CNCSC 2230a_100016988866_100011218213 [0,1,0,0,0,0|2,0,1]=4 1098 B9R0.5 CCNC(=O)COCCBr 34a_100000211926_100000183381 [0,1,0,0,0,0|2,0,1]=4 1099 B9R0.5 CCNC(=O)COCCN 34a_100000210304_100000183381 [0,1,0,0,0,0|2,0,1]=4 1100 B9R0.5 CCNC(=O)COCCO 240690a_100015525214_100000708028 [0,1,0,0,0,0|2,0,1]=4 1101 B9R0.5 CCNC(=O)CSCC#N 11a_100015525214_100000150266 [0,1,0,0,0,0|2,0,1]=4 1102 B9R0.5 CCNC(=O)CSCC#N 240690a_100015525214_100000150266 [0,1,0,0,0,0|2,0,1]=4 1103 B9R0.5 CCNC(=O)CSCC#N 62a_100000183381_100011215382 [0,1,0,0,0,0|2,0,1]=4 1104 B9R0.5 CCNC(=O)CSCC#N 62a_100011215382_100000183381 [0,1,0,0,0,0|2,0,1]=4 1105 B9R0.5 CCNC(=O)CSCC=O 62a_100000183381_200015260668 [0,1,0,0,0,0|2,0,0]=3 1106 B9R0.5 CCNC(=O)CSCC=O 62a_200015260668_100000183381 [0,1,0,0,0,0|2,0,0]=3 1107 B9R0.5 CCNC(=O)CSCCF 62a_100000183381_100011217306 [0,1,0,0,0,0|2,0,1]=4 1108 B9R0.5 CCNC(=O)CSCCF 62a_100011217306_100000183381 [0,1,0,0,0,0|2,0,1]=4 1109 B9R0.5 CCNC(=O)CSCCO 62a_100000183381_100000211926 [0,1,0,0,0,0|2,0,1]=4 1110 B9R0.5 CCNC(=O)CSCCO 62a_100000211926_100000183381 [0,1,0,0,0,0|2,0,1]=4 1111 B9R0.5 CCNC(=O)CSCOC 62a_100000183381_100000766300 [0,1,0,0,0,0|2,0,1]=4 1112 B9R0.5 CCNC(=O)CSCOC 62a_100000766300_100000183381 [0,1,0,0,0,0|2,0,1]=4 1113 B9R0.5 CCNC(=O)CSCSC 62a_100000183381_100011218213 [0,1,0,0,0,0|2,0,1]=4 1114 B9R0.5 CCNC(=O)CSCSC 62a_100011218213_100000183381 [0,1,0,0,0,0|2,0,1]=4 1115 B9R0.5 CCNC(=O)NCCC#N 2708a_100000720768_100015525214 [0,1,0,0,0,0|2,0,1]=4 1116 B9R0.5 CCNC(=O)NCCC#N 2708a_100015525214_100000720768 [0,1,0,0,0,0|2,0,1]=4 1117 B9R0.5 CCNC(=O)NCCC#N 273464a_100000720768_100015525214 [0,1,0,0,0,0|2,0,1]=4 1118 B9R0.5 CCNC(=O)NCCC#N 273464a_100015525214_100000720768 [0,1,0,0,0,0|2,0,1]=4 1119 B9R0.5 CCNC(=O)NCCC#N 512a_100000720768_100015525214 [0,1,0,0,0,0|2,0,1]=4 1120 B9R0.5 CCNC(=O)NCCC#N 512a_100015525214_100000720768 [0,1,0,0,0,0|2,0,1]=4 1121 B9R0.5 CCNC(=O)NCCCF 2708a_100015189416_100015525214 [0,1,0,0,0,0|2,0,1]=4 1122 B9R0.5 CCNC(=O)NCCCF 2708a_100015525214_100015189416 [0,1,0,0,0,0|2,0,1]=4 1123 B9R0.5 CCNC(=O)NCCCF 273464a_100015189416_100015525214 [0,1,0,0,0,0|2,0,1]=4 1124 B9R0.5 CCNC(=O)NCCCF 273464a_100015525214_100015189416 [0,1,0,0,0,0|2,0,1]=4 1125 B9R0.5 CCNC(=O)NCCCF 512a_100015189416_100015525214 [0,1,0,0,0,0|2,0,1]=4 1126 B9R0.5 CCNC(=O)NCCCF 512a_100015525214_100015189416 [0,1,0,0,0,0|2,0,1]=4 1127 B9R0.5 CCNC(=O)NCCCO 2708a_100015525214_100000182051 [0,1,0,0,0,0|2,0,1]=4 1128 B9R0.5 CCNC(=O)NCCCO 273464a_100000182051_100015525214 [0,1,0,0,0,0|2,0,1]=4 1129 B9R0.5 CCNC(=O)NCCCO 273464a_100015525214_100000182051 [0,1,0,0,0,0|2,0,1]=4 1130 B9R0.5 CCNC(=O)NCCCO 512a_100015525214_100000182051 [0,1,0,0,0,0|2,0,1]=4 1131 B9R0.5 CCNC(=O)NCCOC 2708a_100015525214_100000209980 [0,1,0,0,0,0|2,0,1]=4 1132 B9R0.5 CCNC(=O)NCCOC 273464a_100000209980_100015525214 [0,1,0,0,0,0|2,0,1]=4 1133 B9R0.5 CCNC(=O)NCCOC 273464a_100015525214_100000209980 [0,1,0,0,0,0|2,0,1]=4 1134 B9R0.5 CCNC(=O)NCCSC 2708a_100015525214_100020590264 [0,1,0,0,0,0|2,0,1]=4 1135 B9R0.5 CCNC(=O)NCCSC 2708a_100020590264_100015525214 [0,1,0,0,0,0|2,0,1]=4 1136 B9R0.5 CCNC(=O)NCCSC 273464a_100015525214_100020590264 [0,1,0,0,0,0|2,0,1]=4 1137 B9R0.5 CCNC(=O)NCCSC 273464a_100020590264_100015525214 [0,1,0,0,0,0|2,0,1]=4 1138 B9R0.5 CCNC(=O)NCCSC 512a_100015525214_100020590264 [0,1,0,0,0,0|2,0,1]=4 1139 B9R0.5 CCNC(=O)NCCSC 512a_100020590264_100015525214 [0,1,0,0,0,0|2,0,1]=4 1140 B9R0.5 CCNCCC(=O)NCC 2230a_100015525214_100000737597 [0,1,0,0,0,0|1,0,2]=4 1141 B9R0.5 CCNCCC(=O)NCC 34a_100025743525_100000210202 [0,1,0,0,0,0|1,0,2]=4 1142 B9R0.5 CCNCCC(=O)OCC 2230a_100015525214_100011206558 [0,1,0,0,0,0|0,0,2]=3 1143 B9R0.5 CCOC(=O)/C=C/CNC 2230a_106832991635_100016267167 [0,1,0,0,0,0|1,0,2]=4 1144 B9R0.5 CCOC(=O)/C=C/CNC 34a_100102657272_100016267167 [0,1,0,0,0,0|1,0,2]=4 1145 B9R0.5 CCOC(=O)/C=C/CNC 7a_106832991635_100016267167 [0,1,0,0,0,0|1,0,2]=4 1146 B9R0.5 CCOC(=O)/C=C/COC 34a_100138415774_100016267167 [0,1,0,0,0,0|1,0,2]=4 1147 B9R0.5 CCOC(=O)/C=C/CSC 62a_100016267167_200000210301 [0,1,0,0,0,0|1,0,2]=4 1148 B9R0.5 CCOC(=O)/C=C/CSC 62a_200000210301_100016267167 [0,1,0,0,0,0|1,0,2]=4 1149 B9R0.5 CCOC(=O)/C=C/CS[13CH3] 62a_100016267167_200025704644 [0,1,0,0,0,0|1,0,2]=4 1150 B9R0.5 CCOC(=O)/C=C/CS[13CH3] 62a_200025704644_100016267167 [0,1,0,0,0,0|1,0,2]=4 1151 B9R0.5 CCOC(=O)CCCNC 2230a_106832991635_100009991533 [0,1,0,0,0,0|0,0,2]=3 1152 B9R0.5 CCOC(=O)CCCNC 34a_100102657272_100009991533 [0,1,0,0,0,0|0,0,2]=3 1153 B9R0.5 CCOC(=O)CCCNC 7a_106832991635_100011215271 [0,1,0,0,0,0|0,0,2]=3 1154 B9R0.5 CCOC(=O)CCCOC 34a_100138415774_100009991533 [0,1,0,0,0,0|0,0,2]=3 1155 B9R0.5 CCOC(=O)CCCOC 7a_100012001163_200000210301 [0,1,0,0,0,0|0,0,2]=3 1156 B9R0.5 CCOC(=O)CCCO[13CH3] 7a_100012001163_200025704644 [0,1,0,0,0,0|0,0,2]=3 1157 B9R0.5 CCOC(=O)CCCSC 62a_100009991533_200000210301 [0,1,0,0,0,0|0,0,2]=3 1158 B9R0.5 CCOC(=O)CCCSC 62a_200000210301_100009991533 [0,1,0,0,0,0|0,0,2]=3 1159 B9R0.5 CCOC(=O)CCCS[13CH3] 62a_100009991533_200025704644 [0,1,0,0,0,0|0,0,2]=3 1160 B9R0.5 CCOC(=O)CCCS[13CH3] 62a_200025704644_100009991533 [0,1,0,0,0,0|0,0,2]=3 1161 B9R0.5 CCOC(=O)CCSCC 62a_100000210202_100000765890 [0,1,0,0,0,0|0,0,2]=3 1162 B9R0.5 CCOC(=O)CCSCC 62a_100000765890_100000210202 [0,1,0,0,0,0|0,0,2]=3 1163 B9R0.5 CCOC(=O)CCSCF 62a_100000765890_100015361967 [0,1,0,0,0,0|1,0,1]=3 1164 B9R0.5 CCOC(=O)CCSCF 62a_100015361967_100000765890 [0,1,0,0,0,0|1,0,1]=3 1165 B9R0.5 CCOC(=O)CNCCF 34a_100000724931_100000188475 [0,1,0,0,0,0|1,0,1]=3 1166 B9R0.5 CCOC(=O)CNCCO 2230a_100016997473_100000188475 [0,1,0,0,0,0|1,0,1]=3 1167 B9R0.5 CCOC(=O)CNCCO 34a_100016990907_100000188475 [0,1,0,0,0,0|1,0,1]=3 1168 B9R0.5 CCOC(=O)COCCBr 34a_100000211926_100000188475 [0,1,0,0,0,0|1,0,1]=3 1169 B9R0.5 CCOC(=O)COCCN 34a_100000210304_100000188475 [0,1,0,0,0,0|1,0,1]=3 1170 B9R0.5 CCOC(=O)CSCC#N 62a_100000188475_100011215382 [0,1,0,0,0,0|1,0,1]=3 1171 B9R0.5 CCOC(=O)CSCC#N 62a_100011215382_100000188475 [0,1,0,0,0,0|1,0,1]=3 1172 B9R0.5 CCOC(=O)CSCC=O 62a_100000188475_200015260668 [0,1,0,0,0,0|1,0,0]=2 1173 B9R0.5 CCOC(=O)CSCC=O 62a_200015260668_100000188475 [0,1,0,0,0,0|1,0,0]=2 1174 B9R0.5 CCOC(=O)CSCCF 62a_100000188475_100011217306 [0,1,0,0,0,0|1,0,1]=3 1175 B9R0.5 CCOC(=O)CSCCF 62a_100011217306_100000188475 [0,1,0,0,0,0|1,0,1]=3 1176 B9R0.5 CCOC(=O)CSCCO 62a_100000188475_100000211926 [0,1,0,0,0,0|1,0,1]=3 1177 B9R0.5 CCOC(=O)CSCCO 62a_100000211926_100000188475 [0,1,0,0,0,0|1,0,1]=3 1178 B9R0.5 CCOC(=O)CSCOC 62a_100000188475_100000766300 [0,1,0,0,0,0|1,0,1]=3 1179 B9R0.5 CCOC(=O)CSCOC 62a_100000766300_100000188475 [0,1,0,0,0,0|1,0,1]=3 1180 B9R0.5 CCOC(=O)CSCSC 62a_100000188475_100011218213 [0,1,0,0,0,0|1,0,1]=3 1181 B9R0.5 CCOC(=O)CSCSC 62a_100011218213_100000188475 [0,1,0,0,0,0|1,0,1]=3 1182 B9R0.5 CCOC(=O)NCCNC 7a_106832991635_200011445536 [0,1,0,0,0,0|1,0,1]=3 1183 B9R0.5 CCOC(=O)NCCOC 34a_100000158857_200000210301 [0,1,0,0,0,0|1,0,1]=3 1184 B9R0.5 CCOC(=O)NCCO[13CH3] 34a_100000158857_200025704644 [0,1,0,0,0,0|1,0,1]=3 1185 B9R0.5 CCOC(=O)NCCSC 62a_200000210301_200011445536 [0,1,0,0,0,0|1,0,1]=3 1186 B9R0.5 CCOC(=O)NCCS[13CH3] 62a_200025704644_200011445536 [0,1,0,0,0,0|1,0,1]=3 1187 B9R0.5 CCOC(=O)OCSCC 62a_100000210202_100000075025 [0,1,0,0,0,0|1,0,2]=4 1188 B9R0.5 CCOC(=O)OCSCF 62a_100015361967_100000075025 [0,1,0,0,0,0|2,0,1]=4 1189 B9R0.5 CCOCCC(=O)OCC 34a_100121572206_100000765890 [0,1,0,0,0,0|0,0,2]=3 1190 B9R0.5 O=CCSCC(=O)NCO 62a_100000185155_200015260668 [0,1,0,0,0,0|3,0,0]=4 1191 B9R0.5 O=CCSCC(=O)NCO 62a_200015260668_100000185155 [0,1,0,0,0,0|3,0,0]=4 1192 B9R0.8 C#CC(C)C(=O)CCC=C 1458a_100000749702_200000035995 [0,1,0,0,0,0|1,0,2]=4 1193 B9R0.8 C#CCCC(=O)C(C)CC 1458a_100000692101_100000758301 [0,1,0,0,0,0|1,0,2]=4 1194 B9R0.8 C#CCCC(=O)C(C)CC 1458a_100011192722_100000753159 [0,1,0,0,0,0|1,0,2]=4 1195 B9R0.8 C#CCCC(=O)C(O)CC 1458a_100011196387_100000753159 [0,1,0,0,0,0|1,0,2]=4 1196 B9R0.8 C#CCCC(=O)N(C)CC 11a_100000225621_100000692101 [0,1,0,0,0,0|1,0,2]=4 1197 B9R0.8 C#CCCC(=O)N(C)CC 1626a_100000225621_100000692101 [0,1,0,0,0,0|1,0,2]=4 1198 B9R0.8 C#CCCC(=O)N(C)CC 240690a_100000225621_100000692101 [0,1,0,0,0,0|1,0,2]=4 1199 B9R0.8 C#CCCC(=O)N(C)CC 527a_100000225621_100000692101 [0,1,0,0,0,0|1,0,2]=4 1200 B9R0.8 C/C=C/CC(=O)C(C)CC 1458a_100011192722_100102629194 [0,1,0,0,0,0|1,0,2]=4 1201 B9R0.8 C/C=C/CC(=O)C(O)CC 1458a_100011196387_100102629194 [0,1,0,0,0,0|1,0,2]=4 1202 B9R0.8 C=CC=CC(=O)C(C)CC 1458a_100016291481_100000758301 [0,1,0,0,0,0|1,0,2]=4 1203 B9R0.8 C=CC=CC(=O)N(C)CC 1626a_100000225621_100016291481 [0,1,0,0,0,0|1,0,2]=4 1204 B9R0.8 C=CCCC(=O)/C(=C/C)/C 1458a_100020587367_100000754431 [0,1,0,0,0,0|1,0,1]=3 1205 B9R0.8 C=CCCC(=O)C(=O)NC 1458a_100011218921_100000754431 [0,1,0,0,0,0|2,0,0]=3 1206 B9R0.8 C=CCCC(=O)C(C)C#N 1458a_100000749702_100000703298 [0,1,0,0,0,0|2,0,1]=4 1207 B9R0.8 C=CCCC(=O)C(C)C#N 1458a_100000753662_100000754431 [0,1,0,0,0,0|2,0,1]=4 1208 B9R0.8 C=CCCC(=O)C(C)C=C 1458a_100011216780_100000754431 [0,1,0,0,0,0|1,0,2]=4 1209 B9R0.8 C=CCCC(=O)C(C)CC 1458a_100000749702_100000758301 [0,1,0,0,0,0|1,0,0]=2 1210 B9R0.8 C=CCCC(=O)C(C)CC 1458a_100011192722_100000754431 [0,1,0,0,0,0|1,0,0]=2 1211 B9R0.8 C=CCCC(=O)C(C)OC 1458a_100000743197_100000754431 [0,1,0,0,0,0|2,0,0]=3 1212 B9R0.8 C=CCCC(=O)C(C)SC 1458a_100000149566_100000754431 [0,1,0,0,0,0|2,0,0]=3 1213 B9R0.8 C=CCCC(=O)C(O)CC 1458a_100011196387_100000754431 [0,1,0,0,0,0|1,0,0]=2 1214 B9R0.8 C=CCCC(=O)C(O)CO 1458a_100011215603_100000754431 [0,1,0,0,0,0|2,0,0]=3 1215 B9R0.8 C=CCCC(=O)N(C)CC 11a_100000225621_100000749702 [0,1,0,0,0,0|1,0,0]=2 1216 B9R0.8 C=CCCC(=O)N(C)CC 1626a_100000225621_100000749702 [0,1,0,0,0,0|1,0,0]=2 1217 B9R0.8 C=CCCC(=O)N(C)CC 240690a_100000225621_100000749702 [0,1,0,0,0,0|1,0,0]=2 1218 B9R0.8 C=CCCC(=O)N(C)CC 527a_100000225621_100000749702 [0,1,0,0,0,0|1,0,0]=2 1219 B9R0.8 C=CCCN(C)C(=O)CC 11a_100020639649_100000210414 [0,1,0,0,0,0|3,0,0]=4 1220 B9R0.8 C=CCCN(C)C(=O)CC 1626a_100020639649_100000210414 [0,1,0,0,0,0|3,0,0]=4 1221 B9R0.8 C=CCCN(C)C(=O)CC 240690a_100020639649_100000210414 [0,1,0,0,0,0|3,0,0]=4 1222 B9R0.8 C=CCCN(C)C(=O)CC 527a_100020639649_100000210414 [0,1,0,0,0,0|3,0,0]=4 1223 B9R0.8 C=CCCN(C)C(C)CC 2230a_100000741768_100000754431 [0,1,0,0,0,0|3,0,0]=4 1224 B9R0.8 C=CCCN(C)C(C)CC 2230a_100020639649_100000758301 [0,1,0,0,0,0|3,0,0]=4 1225 B9R0.8 C=CCCN(C)C(C)CC 269982a_100000741768_100000754431 [0,1,0,0,0,0|3,0,0]=4 1226 B9R0.8 C=CCCN(C)C(C)CC 269982a_100020639649_100000758301 [0,1,0,0,0,0|3,0,0]=4 1227 B9R0.8 C=CCNC(=O)/C(=C/C)/C 1626a_100020586998_100020587367 [0,1,0,0,0,0|2,0,1]=4 1228 B9R0.8 C=CCNC(=O)C(=O)NC 1626a_100020586998_100011218921 [0,1,0,0,0,0|3,0,0]=4 1229 B9R0.8 C=CCNC(=O)C(=O)NC 240690a_100020586998_100011218921 [0,1,0,0,0,0|3,0,0]=4 1230 B9R0.8 C=CCNC(=O)C(=O)NC 527a_100020586998_100011218921 [0,1,0,0,0,0|3,0,0]=4 1231 B9R0.8 C=CCNC(=O)C(=O)OC 1626a_100020586998_100000024059 [0,1,0,0,0,0|3,0,0]=4 1232 B9R0.8 C=CCNC(=O)C(=O)OC 240690a_100020586998_100000024059 [0,1,0,0,0,0|3,0,0]=4 1233 B9R0.8 C=CCNC(=O)C(=O)OC 527a_100020586998_100000024059 [0,1,0,0,0,0|3,0,0]=4 1234 B9R0.8 C=CCNC(=O)C(C)CC 1626a_100020586998_100011192722 [0,1,0,0,0,0|2,0,0]=3 1235 B9R0.8 C=CCNC(=O)C(C)CC 240690a_100020586998_100011192722 [0,1,0,0,0,0|2,0,0]=3 1236 B9R0.8 C=CCNC(=O)C(C)CC 527a_100020586998_100011192722 [0,1,0,0,0,0|2,0,0]=3 1237 B9R0.8 C=CCNC(=O)C(C)NC 2230a_106832991635_100000230288 [0,1,0,0,0,0|3,0,0]=4 1238 B9R0.8 C=CCNC(=O)C(C)NC 7a_106832991635_100000230288 [0,1,0,0,0,0|3,0,0]=4 1239 B9R0.8 C=CCNC(=O)C(C)OC 1626a_100020586998_100000743197 [0,1,0,0,0,0|3,0,0]=4 1240 B9R0.8 C=CCNC(=O)C(C)OC 240690a_100020586998_100000743197 [0,1,0,0,0,0|3,0,0]=4 1241 B9R0.8 C=CCNC(=O)C(C)OC 527a_100020586998_100000743197 [0,1,0,0,0,0|3,0,0]=4 1242 B9R0.8 C=CCNC(=O)C(C)SC 1626a_100020586998_100000149566 [0,1,0,0,0,0|3,0,0]=4 1243 B9R0.8 C=CCNC(=O)C(C)SC 240690a_100020586998_100000149566 [0,1,0,0,0,0|3,0,0]=4 1244 B9R0.8 C=CCNC(=O)C(C)SC 527a_100020586998_100000149566 [0,1,0,0,0,0|3,0,0]=4 1245 B9R0.8 C=CCNC(=O)C(C)SC 62a_100000230288_200000210301 [0,1,0,0,0,0|3,0,0]=4 1246 B9R0.8 C=CCNC(=O)C(C)SC 62a_200000210301_100000230288 [0,1,0,0,0,0|3,0,0]=4 1247 B9R0.8 C=CCNC(=O)C(C)S[13CH3] 62a_100000230288_200025704644 [0,1,0,0,0,0|3,0,0]=4 1248 B9R0.8 C=CCNC(=O)C(C)S[13CH3] 62a_200025704644_100000230288 [0,1,0,0,0,0|3,0,0]=4 1249 B9R0.8 C=CCNC(=O)C(O)CC 240690a_100020586998_100011196387 [0,1,0,0,0,0|2,0,0]=3 1250 B9R0.8 C=CCNC(=O)C(O)CO 240690a_100020586998_100011215603 [0,1,0,0,0,0|3,0,0]=4 1251 B9R0.8 C=CCNC(=O)N(C)CC 273464a_100020586998_100000225621 [0,1,0,0,0,0|2,0,0]=3 1252 B9R0.8 CC=CCC(=O)C(C)CC 1458a_100011192722_100000070051 [0,1,0,0,0,0|1,0,2]=4 1253 B9R0.8 CC=CCC(=O)C(C)CC 1458a_100121576822_100000758301 [0,1,0,0,0,0|1,0,2]=4 1254 B9R0.8 CC=CCC(=O)C(O)CC 1458a_100011196387_100000070051 [0,1,0,0,0,0|1,0,2]=4 1255 B9R0.8 CC=CCC(=O)N(C)CC 11a_100000225621_100121576822 [0,1,0,0,0,0|1,0,2]=4 1256 B9R0.8 CC=CCC(=O)N(C)CC 1626a_100000225621_100121576822 [0,1,0,0,0,0|1,0,2]=4 1257 B9R0.8 CC=CCC(=O)N(C)CC 240690a_100000225621_100121576822 [0,1,0,0,0,0|1,0,2]=4 1258 B9R0.8 CC=CCC(=O)N(C)CC 527a_100000225621_100121576822 [0,1,0,0,0,0|1,0,2]=4 1259 B9R0.8 CCC(C)C(=O)CCC#N 1458a_100011192722_100011215226 [0,1,0,0,0,0|2,0,1]=4 1260 B9R0.8 CCC(C)C(=O)CCC#N 1458a_100011934036_100000758301 [0,1,0,0,0,0|2,0,1]=4 1261 B9R0.8 CCC(C)C(=O)CCCF 1458a_100011192722_100011934791 [0,1,0,0,0,0|2,0,1]=4 1262 B9R0.8 CCC(C)C(=O)CCCO 1458a_100011192722_100011215043 [0,1,0,0,0,0|2,0,1]=4 1263 B9R0.8 CCC(C)C(=O)CCOC 1458a_100000749529_100000758301 [0,1,0,0,0,0|2,0,1]=4 1264 B9R0.8 CCC(C)C(=O)CCOC 1458a_100011192722_100000233755 [0,1,0,0,0,0|2,0,1]=4 1265 B9R0.8 CCC(C)C(=O)CCSC 1458a_100000174002_100000758301 [0,1,0,0,0,0|2,0,1]=4 1266 B9R0.8 CCC(C)C(=O)CCSC 1458a_100011192722_100000751147 [0,1,0,0,0,0|2,0,1]=4 1267 B9R0.8 CCC(O)C(=O)CCC#N 1458a_100011196387_100011215226 [0,1,0,0,0,0|2,0,1]=4 1268 B9R0.8 CCC(O)C(=O)CCCF 1458a_100011196387_100011934791 [0,1,0,0,0,0|2,0,1]=4 1269 B9R0.8 CCC(O)C(=O)CCCO 1458a_100011196387_100011215043 [0,1,0,0,0,0|2,0,1]=4 1270 B9R0.8 CCC(O)C(=O)CCOC 1458a_100011196387_100000233755 [0,1,0,0,0,0|2,0,1]=4 1271 B9R0.8 CCC(O)C(=O)CCSC 1458a_100011196387_100000751147 [0,1,0,0,0,0|2,0,1]=4 1272 B9R0.8 CCCCC(=O)C(C)CC 1458a_100000210183_100000758301 [0,1,0,0,0,0|1,0,2]=4 1273 B9R0.8 CCCCC(=O)C(C)CC 1458a_100011192722_100000210211 [0,1,0,0,0,0|1,0,2]=4 1274 B9R0.8 CCCCC(=O)C(O)CC 1458a_100011196387_100000210211 [0,1,0,0,0,0|1,0,2]=4 1275 B9R0.8 CCCCC(=O)N(C)CC 11a_100000225621_100000210183 [0,1,0,0,0,0|1,0,2]=4 1276 B9R0.8 CCCCC(=O)N(C)CC 1626a_100000225621_100000210183 [0,1,0,0,0,0|1,0,2]=4 1277 B9R0.8 CCCCC(=O)N(C)CC 240690a_100000225621_100000210183 [0,1,0,0,0,0|1,0,2]=4 1278 B9R0.8 CCCCC(=O)N(C)CC 527a_100000225621_100000210183 [0,1,0,0,0,0|1,0,2]=4 1279 B9R0.8 CCN(C)C(=O)CCC#N 11a_100000225621_100011934036 [0,1,0,0,0,0|2,0,1]=4 1280 B9R0.8 CCN(C)C(=O)CCC#N 1626a_100000225621_100011934036 [0,1,0,0,0,0|2,0,1]=4 1281 B9R0.8 CCN(C)C(=O)CCC#N 240690a_100000225621_100011934036 [0,1,0,0,0,0|2,0,1]=4 1282 B9R0.8 CCN(C)C(=O)CCC#N 527a_100000225621_100011934036 [0,1,0,0,0,0|2,0,1]=4 1283 B9R0.8 CCN(C)C(=O)CCOC 11a_100000225621_100000749529 [0,1,0,0,0,0|2,0,1]=4 1284 B9R0.8 CCN(C)C(=O)CCOC 1626a_100000225621_100000749529 [0,1,0,0,0,0|2,0,1]=4 1285 B9R0.8 CCN(C)C(=O)CCOC 240690a_100000225621_100000749529 [0,1,0,0,0,0|2,0,1]=4 1286 B9R0.8 CCN(C)C(=O)CCOC 527a_100000225621_100000749529 [0,1,0,0,0,0|2,0,1]=4 1287 B9R0.8 CCN(C)C(=O)CCSC 11a_100000225621_100000174002 [0,1,0,0,0,0|2,0,1]=4 1288 B9R0.8 CCN(C)C(=O)CCSC 1626a_100000225621_100000174002 [0,1,0,0,0,0|2,0,1]=4 1289 B9R0.8 CCN(C)C(=O)CCSC 240690a_100000225621_100000174002 [0,1,0,0,0,0|2,0,1]=4 1290 B9R0.8 CCN(C)C(=O)CCSC 527a_100000225621_100000174002 [0,1,0,0,0,0|2,0,1]=4 1291 B9R0.18 C#CCCC(=O)C#CCC 1458a_100011827653_100000753159 [0,1,0,0,0,0|1,0,2]=4 1292 B9R0.18 C#CCCC(=O)C=CCC 1458a_100000212282_100000753159 [0,1,0,0,0,0|1,0,2]=4 1293 B9R0.18 C#CCCC(=O)CCC=C 1458a_100000692101_100000754431 [0,1,0,0,0,0|1,0,1]=3 1294 B9R0.18 C#CCCC(=O)CCC=C 1458a_100000749702_100000753159 [0,1,0,0,0,0|1,0,1]=3 1295 B9R0.18 C#CCCC(=O)CCCC 1458a_100000210183_100000753159 [0,1,0,0,0,0|1,0,2]=4 1296 B9R0.18 C#CCCC(=O)CCCC 1458a_100000692101_100000210211 [0,1,0,0,0,0|1,0,2]=4 1297 B9R0.18 C#CCCC(=O)CCCF 1458a_100000692101_100011934791 [0,1,0,0,0,0|1,0,2]=4 1298 B9R0.18 C#CCCC(=O)CCCO 1458a_100000692101_100011215043 [0,1,0,0,0,0|1,0,2]=4 1299 B9R0.18 C#CCCC(=O)CCOC 1458a_100000692101_100000233755 [0,1,0,0,0,0|1,0,2]=4 1300 B9R0.18 C#CCCC(=O)CCOC 1458a_100000749529_100000753159 [0,1,0,0,0,0|1,0,2]=4 1301 B9R0.18 C#CCCC(=O)CCOC 34a_100011064465_200000210301 [0,1,0,0,0,0|1,0,2]=4 1302 B9R0.18 C#CCCC(=O)CCOC 7a_100011064465_200000210301 [0,1,0,0,0,0|1,0,2]=4 1303 B9R0.18 C#CCCC(=O)CCO[13CH3] 34a_100011064465_200025704644 [0,1,0,0,0,0|1,0,2]=4 1304 B9R0.18 C#CCCC(=O)CCO[13CH3] 7a_100011064465_200025704644 [0,1,0,0,0,0|1,0,2]=4 1305 B9R0.18 C#CCCC(=O)CCSC 1458a_100000174002_100000753159 [0,1,0,0,0,0|1,0,2]=4 1306 B9R0.18 C#CCCC(=O)CCSC 1458a_100000692101_100000751147 [0,1,0,0,0,0|1,0,2]=4 1307 B9R0.18 C#CCCC(=O)COCC 1458a_100000211967_100000753159 [0,1,0,0,0,0|0,0,2]=3 1308 B9R0.18 C#CCCC(=O)CSCC 1458a_100000230394_100000753159 [0,1,0,0,0,0|0,1,2]=4 1309 B9R0.18 C#CCCC(=O)NCC=C 1626a_100020586998_100000692101 [0,1,0,0,0,0|2,0,1]=4 1310 B9R0.18 C#CCCC(=O)NCC=C 240690a_100020586998_100000692101 [0,1,0,0,0,0|2,0,1]=4 1311 B9R0.18 C#CCCC(=O)NCC=C 527a_100020586998_100000692101 [0,1,0,0,0,0|2,0,1]=4 1312 B9R0.18 C#CCCC(=O)NCCC 11a_100020643023_100000692101 [0,1,0,0,0,0|1,0,2]=4 1313 B9R0.18 C#CCCC(=O)NCCC 1626a_100020643023_100000692101 [0,1,0,0,0,0|1,0,2]=4 1314 B9R0.18 C#CCCC(=O)NCCC 240690a_100020643023_100000692101 [0,1,0,0,0,0|1,0,2]=4 1315 B9R0.18 C#CCCC(=O)NCCC 527a_100020643023_100000692101 [0,1,0,0,0,0|1,0,2]=4 1316 B9R0.18 C#CCCC(=O)NCCF 11a_100000724931_100000692101 [0,1,0,0,0,0|1,0,2]=4 1317 B9R0.18 C#CCCC(=O)NCCF 1626a_100000724931_100000692101 [0,1,0,0,0,0|1,0,2]=4 1318 B9R0.18 C#CCCC(=O)NCCF 240690a_100000724931_100000692101 [0,1,0,0,0,0|1,0,2]=4 1319 B9R0.18 C#CCCC(=O)NCCF 527a_100000724931_100000692101 [0,1,0,0,0,0|1,0,2]=4 1320 B9R0.18 C#CCCC(=O)NCCO 240690a_100000210304_100000692101 [0,1,0,0,0,0|1,0,2]=4 1321 B9R0.18 C#CCCC(=O)NCCO 527a_100000210304_100000692101 [0,1,0,0,0,0|1,0,2]=4 1322 B9R0.18 C#CCCC(=O)NNCC 22a_100000756455_100000692101 [0,1,0,0,0,0|1,0,2]=4 1323 B9R0.18 C#CCNC(=O)CCC=C 11a_100000212058_100000749702 [0,1,0,0,0,0|1,0,1]=3 1324 B9R0.18 C#CCNC(=O)CCC=C 1626a_100000212058_100000749702 [0,1,0,0,0,0|1,0,1]=3 1325 B9R0.18 C#CCNC(=O)CCC=C 240690a_100000212058_100000749702 [0,1,0,0,0,0|1,0,1]=3 1326 B9R0.18 C#CCNC(=O)CCC=C 527a_100000212058_100000749702 [0,1,0,0,0,0|1,0,1]=3 1327 B9R0.18 C#CCNC(=O)COCC 11a_100000212058_100000211967 [0,1,0,0,0,0|1,0,2]=4 1328 B9R0.18 C#CCNC(=O)COCC 1626a_100000212058_100000211967 [0,1,0,0,0,0|1,0,2]=4 1329 B9R0.18 C#CCNC(=O)COCC 240690a_100000212058_100000211967 [0,1,0,0,0,0|1,0,2]=4 1330 B9R0.18 C#CCNC(=O)COCC 527a_100000212058_100000211967 [0,1,0,0,0,0|1,0,2]=4 1331 B9R0.18 C#CCNC(=O)NCC=C 2708a_100000212058_100020586998 [0,1,0,0,0,0|2,0,1]=4 1332 B9R0.18 C#CCNC(=O)NCC=C 273464a_100000212058_100020586998 [0,1,0,0,0,0|2,0,1]=4 1333 B9R0.18 C#CCNC(=O)NCC=C 273464a_100020586998_100000212058 [0,1,0,0,0,0|2,0,1]=4 1334 B9R0.18 C#CCNC(=O)NCC=C 512a_100000212058_100020586998 [0,1,0,0,0,0|2,0,1]=4 1335 B9R0.18 C#CCNC(=O)NCC=C 512a_100020586998_100000212058 [0,1,0,0,0,0|2,0,1]=4 1336 B9R0.18 C#CCOC(C)CCC=C 34a_100000765329_100000184674 [0,1,0,0,0,0|1,0,2]=4 1337 B9R0.18 C#CCOC(C)CCC=C 7a_100000765329_100000038162 [0,1,0,0,0,0|1,0,2]=4 1338 B9R0.18 C/C=C/CC(=O)C#CCC 1458a_100011827653_100102629194 [0,1,0,0,0,0|1,0,2]=4 1339 B9R0.18 C/C=C/CC(=O)C=CCC 1458a_100000212282_100102629194 [0,1,0,0,0,0|1,0,2]=4 1340 B9R0.18 C/C=C/CC(=O)CCCC 1458a_100000210183_100102629194 [0,1,0,0,0,0|1,0,2]=4 1341 B9R0.18 C/C=C/CC(=O)CCOC 1458a_100000749529_100102629194 [0,1,0,0,0,0|1,0,2]=4 1342 B9R0.18 C/C=C/CC(=O)CCSC 1458a_100000174002_100102629194 [0,1,0,0,0,0|1,0,2]=4 1343 B9R0.18 C/C=C/CC(=O)COCC 1458a_100000211967_100102629194 [0,1,0,0,0,0|0,0,2]=3 1344 B9R0.18 C/C=C/CC(=O)CSCC 1458a_100000230394_100102629194 [0,1,0,0,0,0|0,1,2]=4 1345 B9R0.18 C=CC=CC(=O)CCC=C 1458a_100016291481_100000754431 [0,1,0,0,0,0|1,0,2]=4 1346 B9R0.18 C=CC=CC(=O)CCCC 1458a_100016291481_100000210211 [0,1,0,0,0,0|1,0,2]=4 1347 B9R0.18 C=CC=CC(=O)CCCF 1458a_100016291481_100011934791 [0,1,0,0,0,0|1,0,2]=4 1348 B9R0.18 C=CC=CC(=O)CCCO 1458a_100016291481_100011215043 [0,1,0,0,0,0|1,0,2]=4 1349 B9R0.18 C=CC=CC(=O)CCOC 1458a_100016291481_100000233755 [0,1,0,0,0,0|1,0,2]=4 1350 B9R0.18 C=CC=CC(=O)CCSC 1458a_100016291481_100000751147 [0,1,0,0,0,0|1,0,2]=4 1351 B9R0.18 C=CC=CC(=O)NCCC 1626a_100020643023_100016291481 [0,1,0,0,0,0|1,0,2]=4 1352 B9R0.18 C=CC=CC(=O)NCCF 1626a_100000724931_100016291481 [0,1,0,0,0,0|1,0,2]=4 1353 B9R0.18 C=CC=CC(=O)NNCC 22a_100000756455_100016291481 [0,1,0,0,0,0|1,0,2]=4 1354 B9R0.18 C=CCCC(=NNCC)C 4a_100000756455_100000762624 [0,1,0,0,0,0|2,0,0]=3 1355 B9R0.18 C=CCCC(=O)C#CCC 1458a_100011827653_100000754431 [0,1,0,0,0,0|1,0,0]=2 1356 B9R0.18 C=CCCC(=O)C#CCO 1458a_100000049017_100000754431 [0,1,0,0,0,0|1,0,1]=3 1357 B9R0.18 C=CCCC(=O)C/C=C/C 1458a_100000749702_100102629194 [0,1,0,0,0,0|1,0,1]=3 1358 B9R0.18 C=CCCC(=O)C=CCC 1458a_100000212282_100000754431 [0,1,0,0,0,0|1,0,0]=2 1359 B9R0.18 C=CCCC(=O)C=COC 1458a_100016268678_100000754431 [0,1,0,0,0,0|1,0,1]=3 1360 B9R0.18 C=CCCC(=O)CC#CC 1458a_100000749702_100000748600 [0,1,0,0,0,0|1,0,1]=3 1361 B9R0.18 C=CCCC(=O)CC=CC 1458a_100000749702_100000070051 [0,1,0,0,0,0|1,0,1]=3 1362 B9R0.18 C=CCCC(=O)CC=CC 1458a_100121576822_100000754431 [0,1,0,0,0,0|1,0,1]=3 1363 B9R0.18 C=CCCC(=O)CCC#N 1458a_100000749702_100011215226 [0,1,0,0,0,0|1,0,1]=3 1364 B9R0.18 C=CCCC(=O)CCC#N 1458a_100011934036_100000754431 [0,1,0,0,0,0|1,0,1]=3 1365 B9R0.18 C=CCCC(=O)CCC=C 1458a_100000749702_100000754431 [0,1,0,0,0,0|1,0,1]=3 1366 B9R0.18 C=CCCC(=O)CCCC 1458a_100000210183_100000754431 [0,1,0,0,0,0|1,0,0]=2 1367 B9R0.18 C=CCCC(=O)CCCC 1458a_100000749702_100000210211 [0,1,0,0,0,0|1,0,0]=2 1368 B9R0.18 C=CCCC(=O)CCCF 1458a_100000749702_100011934791 [0,1,0,0,0,0|1,0,0]=2 1369 B9R0.18 C=CCCC(=O)CCCO 1458a_100000749702_100011215043 [0,1,0,0,0,0|1,0,0]=2 1370 B9R0.18 C=CCCC(=O)CCOC 1458a_100000749529_100000754431 [0,1,0,0,0,0|1,0,0]=2 1371 B9R0.18 C=CCCC(=O)CCOC 1458a_100000749702_100000233755 [0,1,0,0,0,0|1,0,0]=2 1372 B9R0.18 C=CCCC(=O)CCSC 1458a_100000174002_100000754431 [0,1,0,0,0,0|1,0,0]=2 1373 B9R0.18 C=CCCC(=O)CCSC 1458a_100000749702_100000751147 [0,1,0,0,0,0|1,0,0]=2 1374 B9R0.18 C=CCCC(=O)COCC 1458a_100000211967_100000754431 [0,1,0,0,0,0|0,0,0]=1 1375 B9R0.18 C=CCCC(=O)CSCC 1458a_100000230394_100000754431 [0,1,0,0,0,0|0,1,0]=2 1376 B9R0.18 C=CCCC(=O)NCC#N 1626a_100000734998_100000749702 [0,1,0,0,0,0|1,0,1]=3 1377 B9R0.18 C=CCCC(=O)NCC#N 527a_100000734998_100000749702 [0,1,0,0,0,0|1,0,1]=3 1378 B9R0.18 C=CCCC(=O)NCC=C 1626a_100020586998_100000749702 [0,1,0,0,0,0|1,0,1]=3 1379 B9R0.18 C=CCCC(=O)NCC=C 240690a_100020586998_100000749702 [0,1,0,0,0,0|1,0,1]=3 1380 B9R0.18 C=CCCC(=O)NCC=C 527a_100020586998_100000749702 [0,1,0,0,0,0|1,0,1]=3 1381 B9R0.18 C=CCCC(=O)NCCC 11a_100020643023_100000749702 [0,1,0,0,0,0|1,0,0]=2 1382 B9R0.18 C=CCCC(=O)NCCC 1626a_100020643023_100000749702 [0,1,0,0,0,0|1,0,0]=2 1383 B9R0.18 C=CCCC(=O)NCCC 240690a_100020643023_100000749702 [0,1,0,0,0,0|1,0,0]=2 1384 B9R0.18 C=CCCC(=O)NCCC 527a_100020643023_100000749702 [0,1,0,0,0,0|1,0,0]=2 1385 B9R0.18 C=CCCC(=O)NCCF 11a_100000724931_100000749702 [0,1,0,0,0,0|1,0,0]=2 1386 B9R0.18 C=CCCC(=O)NCCF 1626a_100000724931_100000749702 [0,1,0,0,0,0|1,0,0]=2 1387 B9R0.18 C=CCCC(=O)NCCF 240690a_100000724931_100000749702 [0,1,0,0,0,0|1,0,0]=2 1388 B9R0.18 C=CCCC(=O)NCCF 527a_100000724931_100000749702 [0,1,0,0,0,0|1,0,0]=2 1389 B9R0.18 C=CCCC(=O)NCCO 240690a_100000210304_100000749702 [0,1,0,0,0,0|1,0,0]=2 1390 B9R0.18 C=CCCC(=O)NCCO 527a_100000210304_100000749702 [0,1,0,0,0,0|1,0,0]=2 1391 B9R0.18 C=CCCC(=O)NNCC 22a_100000756455_100000749702 [0,1,0,0,0,0|1,0,0]=2 1392 B9R0.18 C=CCCC(C)NCCC 270004a_100020643023_100000762624 [0,1,0,0,0,0|2,0,1]=4 1393 B9R0.18 C=CCCC(C)NCCO 270004a_100000210304_100000762624 [0,1,0,0,0,0|2,0,1]=4 1394 B9R0.18 C=CCCC(C)OCC#N 7a_100000765329_100011215382 [0,1,0,0,0,0|1,0,2]=4 1395 B9R0.18 C=CCCC(C)OCC=C 34a_100000765329_100015514636 [0,1,0,0,0,0|1,0,2]=4 1396 B9R0.18 C=CCCC(C)OCC=C 7a_100000765329_100015514636 [0,1,0,0,0,0|1,0,2]=4 1397 B9R0.18 C=CCCC(C)OCC=O 34a_100000765329_200009817547 [0,1,0,0,0,0|1,0,2]=4 1398 B9R0.18 C=CCCC(C)OCC=O 7a_100000765329_200015260668 [0,1,0,0,0,0|1,0,2]=4 1399 B9R0.18 C=CCCC(C)OCCC 34a_100000765329_100000210303 [0,1,0,0,0,0|1,0,1]=3 1400 B9R0.18 C=CCCC(C)OCCC 7a_100000765329_100000210303 [0,1,0,0,0,0|1,0,1]=3 1401 B9R0.18 C=CCCC(C)OCCF 34a_100000765329_100011217306 [0,1,0,0,0,0|1,0,1]=3 1402 B9R0.18 C=CCCC(C)OCCF 7a_100000765329_100011217306 [0,1,0,0,0,0|1,0,1]=3 1403 B9R0.18 C=CCCC(C)OCCO 34a_100000765329_100000211926 [0,1,0,0,0,0|1,0,1]=3 1404 B9R0.18 C=CCCC(C)OCCO 7a_100000765329_100000211926 [0,1,0,0,0,0|1,0,1]=3 1405 B9R0.18 C=CCCC(C)OCSC 34a_100000765329_100011218213 [0,1,0,0,0,0|1,0,1]=3 1406 B9R0.18 C=CCCN(C)CCCC 2230a_100000207549_100000754431 [0,1,0,0,0,0|3,0,0]=4 1407 B9R0.18 C=CCCN(C)CCCC 2230a_100020639649_100000210211 [0,1,0,0,0,0|3,0,0]=4 1408 B9R0.18 C=CCCN(C)CCCC 269982a_100000207549_100000754431 [0,1,0,0,0,0|3,0,0]=4 1409 B9R0.18 C=CCCN(C)CCCC 269982a_100020639649_100000210211 [0,1,0,0,0,0|3,0,0]=4 1410 B9R0.18 C=CCCN(C)CCCF 2230a_100020639649_100011934791 [0,1,0,0,0,0|3,0,0]=4 1411 B9R0.18 C=CCCN(C)CCCF 269982a_100020639649_100011934791 [0,1,0,0,0,0|3,0,0]=4 1412 B9R0.18 C=CCCN(C)CCCO 2230a_100000213112_100000754431 [0,1,0,0,0,0|3,0,0]=4 1413 B9R0.18 C=CCCN(C)CCCO 2230a_100020639649_100000230001 [0,1,0,0,0,0|3,0,0]=4 1414 B9R0.18 C=CCCN(C)CCCO 269982a_100000213112_100000754431 [0,1,0,0,0,0|3,0,0]=4 1415 B9R0.18 C=CCCN(C)CCCO 269982a_100020639649_100011215043 [0,1,0,0,0,0|3,0,0]=4 1416 B9R0.18 C=CCCN(C)CCOC 2230a_100000743101_100000754431 [0,1,0,0,0,0|3,0,0]=4 1417 B9R0.18 C=CCCN(C)CCOC 2230a_100011698344_200000210301 [0,1,0,0,0,0|3,0,0]=4 1418 B9R0.18 C=CCCN(C)CCOC 2230a_100020639649_100011201679 [0,1,0,0,0,0|3,0,0]=4 1419 B9R0.18 C=CCCN(C)CCOC 269982a_100000743101_100000754431 [0,1,0,0,0,0|3,0,0]=4 1420 B9R0.18 C=CCCN(C)CCOC 269982a_100011698344_200000210301 [0,1,0,0,0,0|3,0,0]=4 1421 B9R0.18 C=CCCN(C)CCOC 269982a_100020639649_100000233755 [0,1,0,0,0,0|3,0,0]=4 1422 B9R0.18 C=CCCN(C)CCSC 2230a_100000686725_100000754431 [0,1,0,0,0,0|3,0,0]=4 1423 B9R0.18 C=CCCN(C)CCSC 2230a_100020639649_100000751147 [0,1,0,0,0,0|3,0,0]=4 1424 B9R0.18 C=CCCN(C)CCSC 269982a_100000686725_100000754431 [0,1,0,0,0,0|3,0,0]=4 1425 B9R0.18 C=CCCN(C)CCSC 269982a_100020639649_100000212216 [0,1,0,0,0,0|3,0,0]=4 1426 B9R0.18 C=CCCN(C)COCC 269982a_100020639649_100000739092 [0,1,0,0,0,0|2,0,0]=3 1427 B9R0.18 C=CCCN([13CH3])CCOC 2230a_100011698344_200025704644 [0,1,0,0,0,0|3,0,0]=4 1428 B9R0.18 C=CCCN([13CH3])CCOC 269982a_100011698344_200025704644 [0,1,0,0,0,0|3,0,0]=4 1429 B9R0.18 C=CCNC(=O)C=CCC 1626a_100020586998_100000212282 [0,1,0,0,0,0|2,0,0]=3 1430 B9R0.18 C=CCNC(=O)C=CCC 240690a_100020586998_100000212282 [0,1,0,0,0,0|2,0,0]=3 1431 B9R0.18 C=CCNC(=O)C=COC 1626a_100020586998_100016268678 [0,1,0,0,0,0|2,0,1]=4 1432 B9R0.18 C=CCNC(=O)C=COC 240690a_100020586998_100016268678 [0,1,0,0,0,0|2,0,1]=4 1433 B9R0.18 C=CCNC(=O)CC=CC 1626a_100020586998_100121576822 [0,1,0,0,0,0|2,0,1]=4 1434 B9R0.18 C=CCNC(=O)CC=CC 240690a_100020586998_100121576822 [0,1,0,0,0,0|2,0,1]=4 1435 B9R0.18 C=CCNC(=O)CC=CC 527a_100020586998_100121576822 [0,1,0,0,0,0|2,0,1]=4 1436 B9R0.18 C=CCNC(=O)CCC#N 1626a_100020586998_100011934036 [0,1,0,0,0,0|2,0,1]=4 1437 B9R0.18 C=CCNC(=O)CCC#N 240690a_100020586998_100011934036 [0,1,0,0,0,0|2,0,1]=4 1438 B9R0.18 C=CCNC(=O)CCC#N 527a_100020586998_100011934036 [0,1,0,0,0,0|2,0,1]=4 1439 B9R0.18 C=CCNC(=O)CCCC 1626a_100020586998_100000210183 [0,1,0,0,0,0|2,0,0]=3 1440 B9R0.18 C=CCNC(=O)CCCC 240690a_100020586998_100000210183 [0,1,0,0,0,0|2,0,0]=3 1441 B9R0.18 C=CCNC(=O)CCCC 527a_100020586998_100000210183 [0,1,0,0,0,0|2,0,0]=3 1442 B9R0.18 C=CCNC(=O)CCNC 2230a_106832991635_100011222895 [0,1,0,0,0,0|2,0,0]=3 1443 B9R0.18 C=CCNC(=O)CCNC 7a_106832991635_100011222895 [0,1,0,0,0,0|2,0,0]=3 1444 B9R0.18 C=CCNC(=O)CCOC 1626a_100020586998_100000749529 [0,1,0,0,0,0|2,0,0]=3 1445 B9R0.18 C=CCNC(=O)CCOC 240690a_100020586998_100000749529 [0,1,0,0,0,0|2,0,0]=3 1446 B9R0.18 C=CCNC(=O)CCOC 527a_100020586998_100000749529 [0,1,0,0,0,0|2,0,0]=3 1447 B9R0.18 C=CCNC(=O)CCSC 1626a_100020586998_100000174002 [0,1,0,0,0,0|2,0,0]=3 1448 B9R0.18 C=CCNC(=O)CCSC 240690a_100020586998_100000174002 [0,1,0,0,0,0|2,0,0]=3 1449 B9R0.18 C=CCNC(=O)CCSC 527a_100020586998_100000174002 [0,1,0,0,0,0|2,0,0]=3 1450 B9R0.18 C=CCNC(=O)CCSC 62a_100011222895_200000210301 [0,1,0,0,0,0|2,0,0]=3 1451 B9R0.18 C=CCNC(=O)CCSC 62a_200000210301_100011222895 [0,1,0,0,0,0|2,0,0]=3 1452 B9R0.18 C=CCNC(=O)CCS[13CH3] 62a_100011222895_200025704644 [0,1,0,0,0,0|2,0,0]=3 1453 B9R0.18 C=CCNC(=O)CCS[13CH3] 62a_200025704644_100011222895 [0,1,0,0,0,0|2,0,0]=3 1454 B9R0.18 C=CCNC(=O)CNCC 2230a_100015525214_100000183597 [0,1,0,0,0,0|2,0,0]=3 1455 B9R0.18 C=CCNC(=O)COCC 1626a_100020586998_100000211967 [0,1,0,0,0,0|1,0,0]=2 1456 B9R0.18 C=CCNC(=O)COCC 240690a_100020586998_100000211967 [0,1,0,0,0,0|1,0,0]=2 1457 B9R0.18 C=CCNC(=O)COCC 527a_100020586998_100000211967 [0,1,0,0,0,0|1,0,0]=2 1458 B9R0.18 C=CCNC(=O)CSCC 1626a_100020586998_100000230394 [0,1,0,0,0,0|1,1,0]=3 1459 B9R0.18 C=CCNC(=O)CSCC 240690a_100020586998_100000230394 [0,1,0,0,0,0|1,1,0]=3 1460 B9R0.18 C=CCNC(=O)CSCC 527a_100020586998_100000230394 [0,1,0,0,0,0|1,1,0]=3 1461 B9R0.18 C=CCNC(=O)CSCC 62a_100000183597_100000210202 [0,1,0,0,0,0|1,1,0]=3 1462 B9R0.18 C=CCNC(=O)CSCC 62a_100000210202_100000183597 [0,1,0,0,0,0|1,1,0]=3 1463 B9R0.18 C=CCNC(=O)CSCF 62a_100000183597_100015361967 [0,1,0,0,0,0|2,1,0]=4 1464 B9R0.18 C=CCNC(=O)CSCF 62a_100015361967_100000183597 [0,1,0,0,0,0|2,1,0]=4 1465 B9R0.18 C=CCNC(=O)NCC#N 2708a_100000734998_100020586998 [0,1,0,0,0,0|2,0,1]=4 1466 B9R0.18 C=CCNC(=O)NCC#N 273464a_100000734998_100020586998 [0,1,0,0,0,0|2,0,1]=4 1467 B9R0.18 C=CCNC(=O)NCC#N 273464a_100020586998_100000734998 [0,1,0,0,0,0|2,0,1]=4 1468 B9R0.18 C=CCNC(=O)NCC#N 512a_100000734998_100020586998 [0,1,0,0,0,0|2,0,1]=4 1469 B9R0.18 C=CCNC(=O)NCC#N 512a_100020586998_100000734998 [0,1,0,0,0,0|2,0,1]=4 1470 B9R0.18 C=CCNC(=O)NCC=C 273464a_100020586998_100020586998 [0,1,0,0,0,0|2,0,1]=4 1471 B9R0.18 C=CCNC(=O)NCC=C 512a_100020586998_100020586998 [0,1,0,0,0,0|2,0,1]=4 1472 B9R0.18 C=CCNC(=O)NCCC 2708a_100020643023_100020586998 [0,1,0,0,0,0|2,0,0]=3 1473 B9R0.18 C=CCNC(=O)NCCC 273464a_100020586998_100020643023 [0,1,0,0,0,0|2,0,0]=3 1474 B9R0.18 C=CCNC(=O)NCCC 273464a_100020643023_100020586998 [0,1,0,0,0,0|2,0,0]=3 1475 B9R0.18 C=CCNC(=O)NCCC 512a_100020586998_100020643023 [0,1,0,0,0,0|2,0,0]=3 1476 B9R0.18 C=CCNC(=O)NCCC 512a_100020643023_100020586998 [0,1,0,0,0,0|2,0,0]=3 1477 B9R0.18 C=CCNC(=O)NCCF 273464a_100000724931_100020586998 [0,1,0,0,0,0|2,0,0]=3 1478 B9R0.18 C=CCNC(=O)NCCF 273464a_100020586998_100000724931 [0,1,0,0,0,0|2,0,0]=3 1479 B9R0.18 C=CCNC(=O)NCCF 512a_100020586998_100000724931 [0,1,0,0,0,0|2,0,0]=3 1480 B9R0.18 C=CCNC(=O)NCCO 273464a_100000210304_100020586998 [0,1,0,0,0,0|2,0,0]=3 1481 B9R0.18 C=CCNC(=O)NCCO 273464a_100020586998_100000210304 [0,1,0,0,0,0|2,0,0]=3 1482 B9R0.18 C=CCNC(=O)NCCO 512a_100020586998_100000210304 [0,1,0,0,0,0|2,0,0]=3 1483 B9R0.18 C=CCNC(=O)NNCC 273464a_100020586998_100000756455 [0,1,0,0,0,0|2,0,0]=3 1484 B9R0.18 C=CCNC(=O)NNCC 512a_100000756455_100020586998 [0,1,0,0,0,0|2,0,0]=3 1485 B9R0.18 C=CCNC(=O)NNCC 512a_100020586998_100000756455 [0,1,0,0,0,0|2,0,0]=3 1486 B9R0.18 C=CCOC(=O)CNCC 2230a_100015525214_100000033060 [0,1,0,0,0,0|2,0,0]=3 1487 B9R0.18 C=CCOC(=O)COCC 34a_100121572206_100000033060 [0,1,0,0,0,0|1,0,0]=2 1488 B9R0.18 C=CCOC(=O)CSCC 62a_100000033060_100000210202 [0,1,0,0,0,0|1,1,0]=3 1489 B9R0.18 C=CCOC(=O)CSCC 62a_100000210202_100000033060 [0,1,0,0,0,0|1,1,0]=3 1490 B9R0.18 C=CCOC(=O)CSCF 62a_100000033060_100015361967 [0,1,0,0,0,0|2,1,0]=4 1491 B9R0.18 C=CCOC(=O)CSCF 62a_100015361967_100000033060 [0,1,0,0,0,0|2,1,0]=4 1492 B9R0.18 C=CCOC(C)COCC 34a_100000718985_100015514636 [0,1,0,0,0,0|2,0,1]=4 1493 B9R0.18 C=CCOC(C)COCC 7a_100000718985_100015514636 [0,1,0,0,0,0|2,0,1]=4 1494 B9R0.18 CC#CCC(=O)COCC 1458a_100000211967_100000748600 [0,1,0,0,0,0|0,0,3]=4 1495 B9R0.18 CC=CCC(=O)C#CCC 1458a_100011827653_100000070051 [0,1,0,0,0,0|1,0,2]=4 1496 B9R0.18 CC=CCC(=O)C=CCC 1458a_100000212282_100000070051 [0,1,0,0,0,0|1,0,2]=4 1497 B9R0.18 CC=CCC(=O)CCCC 1458a_100000210183_100000070051 [0,1,0,0,0,0|1,0,2]=4 1498 B9R0.18 CC=CCC(=O)CCCC 1458a_100121576822_100000210211 [0,1,0,0,0,0|1,0,2]=4 1499 B9R0.18 CC=CCC(=O)CCCF 1458a_100121576822_100011934791 [0,1,0,0,0,0|1,0,2]=4 1500 B9R0.18 CC=CCC(=O)CCCO 1458a_100121576822_100011215043 [0,1,0,0,0,0|1,0,2]=4 1501 B9R0.18 CC=CCC(=O)CCOC 1458a_100000749529_100000070051 [0,1,0,0,0,0|1,0,2]=4 1502 B9R0.18 CC=CCC(=O)CCOC 1458a_100121576822_100000233755 [0,1,0,0,0,0|1,0,2]=4 1503 B9R0.18 CC=CCC(=O)CCSC 1458a_100000174002_100000070051 [0,1,0,0,0,0|1,0,2]=4 1504 B9R0.18 CC=CCC(=O)CCSC 1458a_100121576822_100000751147 [0,1,0,0,0,0|1,0,2]=4 1505 B9R0.18 CC=CCC(=O)COCC 1458a_100000211967_100000070051 [0,1,0,0,0,0|0,0,2]=3 1506 B9R0.18 CC=CCC(=O)CSCC 1458a_100000230394_100000070051 [0,1,0,0,0,0|0,1,2]=4 1507 B9R0.18 CC=CCC(=O)NCCC 11a_100020643023_100121576822 [0,1,0,0,0,0|1,0,2]=4 1508 B9R0.18 CC=CCC(=O)NCCC 1626a_100020643023_100121576822 [0,1,0,0,0,0|1,0,2]=4 1509 B9R0.18 CC=CCC(=O)NCCC 240690a_100020643023_100121576822 [0,1,0,0,0,0|1,0,2]=4 1510 B9R0.18 CC=CCC(=O)NCCC 527a_100020643023_100121576822 [0,1,0,0,0,0|1,0,2]=4 1511 B9R0.18 CC=CCC(=O)NCCF 11a_100000724931_100121576822 [0,1,0,0,0,0|1,0,2]=4 1512 B9R0.18 CC=CCC(=O)NCCF 1626a_100000724931_100121576822 [0,1,0,0,0,0|1,0,2]=4 1513 B9R0.18 CC=CCC(=O)NCCF 240690a_100000724931_100121576822 [0,1,0,0,0,0|1,0,2]=4 1514 B9R0.18 CC=CCC(=O)NCCF 527a_100000724931_100121576822 [0,1,0,0,0,0|1,0,2]=4 1515 B9R0.18 CC=CCC(=O)NCCO 240690a_100000210304_100121576822 [0,1,0,0,0,0|1,0,2]=4 1516 B9R0.18 CC=CCC(=O)NCCO 527a_100000210304_100121576822 [0,1,0,0,0,0|1,0,2]=4 1517 B9R0.18 CC=CCC(=O)NNCC 22a_100000756455_100121576822 [0,1,0,0,0,0|1,0,2]=4 1518 B9R0.18 CC=NNC(=O)COCC 4a_100000216846_200000210099 [0,1,0,0,0,0|2,0,1]=4 1519 B9R0.18 CCC#CC(=O)CCC#N 1458a_100011827653_100011215226 [0,1,0,0,0,0|2,0,1]=4 1520 B9R0.18 CCC#CC(=O)CCCC 1458a_100011827653_100000210211 [0,1,0,0,0,0|1,0,2]=4 1521 B9R0.18 CCC#CC(=O)CCCF 1458a_100011827653_100011934791 [0,1,0,0,0,0|2,0,1]=4 1522 B9R0.18 CCC#CC(=O)CCCO 1458a_100011827653_100011215043 [0,1,0,0,0,0|2,0,1]=4 1523 B9R0.18 CCC#CC(=O)CCOC 1458a_100011827653_100000233755 [0,1,0,0,0,0|2,0,1]=4 1524 B9R0.18 CCC#CC(=O)CCSC 1458a_100011827653_100000751147 [0,1,0,0,0,0|2,0,1]=4 1525 B9R0.18 CCC=CC(=O)CCC#N 1458a_100000212282_100011215226 [0,1,0,0,0,0|2,0,1]=4 1526 B9R0.18 CCC=CC(=O)CCCC 1458a_100000212282_100000210211 [0,1,0,0,0,0|1,0,2]=4 1527 B9R0.18 CCC=CC(=O)CCCF 1458a_100000212282_100011934791 [0,1,0,0,0,0|2,0,1]=4 1528 B9R0.18 CCC=CC(=O)CCCO 1458a_100000212282_100011215043 [0,1,0,0,0,0|2,0,1]=4 1529 B9R0.18 CCC=CC(=O)CCOC 1458a_100000212282_100000233755 [0,1,0,0,0,0|2,0,1]=4 1530 B9R0.18 CCC=CC(=O)CCSC 1458a_100000212282_100000751147 [0,1,0,0,0,0|2,0,1]=4 1531 B9R0.18 CCCCC(=O)CCC#N 1458a_100000210183_100011215226 [0,1,0,0,0,0|2,0,1]=4 1532 B9R0.18 CCCCC(=O)CCC#N 1458a_100011934036_100000210211 [0,1,0,0,0,0|2,0,1]=4 1533 B9R0.18 CCCCC(=O)CCCC 1458a_100000210183_100000210211 [0,1,0,0,0,0|1,0,2]=4 1534 B9R0.18 CCCCC(=O)CCCF 1458a_100000210183_100011934791 [0,1,0,0,0,0|1,0,2]=4 1535 B9R0.18 CCCCC(=O)CCCO 1458a_100000210183_100011215043 [0,1,0,0,0,0|1,0,2]=4 1536 B9R0.18 CCCCC(=O)CCOC 1458a_100000210183_100000233755 [0,1,0,0,0,0|1,0,2]=4 1537 B9R0.18 CCCCC(=O)CCOC 1458a_100000749529_100000210211 [0,1,0,0,0,0|1,0,2]=4 1538 B9R0.18 CCCCC(=O)CCSC 1458a_100000174002_100000210211 [0,1,0,0,0,0|1,0,2]=4 1539 B9R0.18 CCCCC(=O)CCSC 1458a_100000210183_100000751147 [0,1,0,0,0,0|1,0,2]=4 1540 B9R0.18 CCCCC(=O)COCC 1458a_100000211967_100000210211 [0,1,0,0,0,0|0,0,2]=3 1541 B9R0.18 CCCCC(=O)CSCC 1458a_100000230394_100000210211 [0,1,0,0,0,0|0,1,2]=4 1542 B9R0.18 CCCCC(=O)NCCC 11a_100020643023_100000210183 [0,1,0,0,0,0|1,0,2]=4 1543 B9R0.18 CCCCC(=O)NCCC 1626a_100020643023_100000210183 [0,1,0,0,0,0|1,0,2]=4 1544 B9R0.18 CCCCC(=O)NCCC 240690a_100020643023_100000210183 [0,1,0,0,0,0|1,0,2]=4 1545 B9R0.18 CCCCC(=O)NCCC 527a_100020643023_100000210183 [0,1,0,0,0,0|1,0,2]=4 1546 B9R0.18 CCCCC(=O)NCCF 11a_100000724931_100000210183 [0,1,0,0,0,0|1,0,2]=4 1547 B9R0.18 CCCCC(=O)NCCF 1626a_100000724931_100000210183 [0,1,0,0,0,0|1,0,2]=4 1548 B9R0.18 CCCCC(=O)NCCF 240690a_100000724931_100000210183 [0,1,0,0,0,0|1,0,2]=4 1549 B9R0.18 CCCCC(=O)NCCF 527a_100000724931_100000210183 [0,1,0,0,0,0|1,0,2]=4 1550 B9R0.18 CCCCC(=O)NCCO 240690a_100000210304_100000210183 [0,1,0,0,0,0|1,0,2]=4 1551 B9R0.18 CCCCC(=O)NCCO 527a_100000210304_100000210183 [0,1,0,0,0,0|1,0,2]=4 1552 B9R0.18 CCCCC(=O)NNCC 22a_100000756455_100000210183 [0,1,0,0,0,0|1,0,2]=4 1553 B9R0.18 CCCNC(=O)CCC#N 11a_100020643023_100011934036 [0,1,0,0,0,0|2,0,1]=4 1554 B9R0.18 CCCNC(=O)CCC#N 1626a_100020643023_100011934036 [0,1,0,0,0,0|2,0,1]=4 1555 B9R0.18 CCCNC(=O)CCC#N 240690a_100020643023_100011934036 [0,1,0,0,0,0|2,0,1]=4 1556 B9R0.18 CCCNC(=O)CCC#N 527a_100020643023_100011934036 [0,1,0,0,0,0|2,0,1]=4 1557 B9R0.18 CCCNC(=O)CCOC 11a_100020643023_100000749529 [0,1,0,0,0,0|2,0,1]=4 1558 B9R0.18 CCCNC(=O)CCOC 1626a_100020643023_100000749529 [0,1,0,0,0,0|2,0,1]=4 1559 B9R0.18 CCCNC(=O)CCOC 240690a_100020643023_100000749529 [0,1,0,0,0,0|2,0,1]=4 1560 B9R0.18 CCCNC(=O)CCOC 527a_100020643023_100000749529 [0,1,0,0,0,0|2,0,1]=4 1561 B9R0.18 CCCNC(=O)CCSC 11a_100020643023_100000174002 [0,1,0,0,0,0|2,0,1]=4 1562 B9R0.18 CCCNC(=O)CCSC 1626a_100020643023_100000174002 [0,1,0,0,0,0|2,0,1]=4 1563 B9R0.18 CCCNC(=O)CCSC 240690a_100020643023_100000174002 [0,1,0,0,0,0|2,0,1]=4 1564 B9R0.18 CCCNC(=O)CCSC 527a_100020643023_100000174002 [0,1,0,0,0,0|2,0,1]=4 1565 B9R0.18 CCCNC(=O)COCC 11a_100020643023_100000211967 [0,1,0,0,0,0|1,0,2]=4 1566 B9R0.18 CCCNC(=O)COCC 1626a_100020643023_100000211967 [0,1,0,0,0,0|1,0,2]=4 1567 B9R0.18 CCCNC(=O)COCC 240690a_100020643023_100000211967 [0,1,0,0,0,0|1,0,2]=4 1568 B9R0.18 CCCNC(=O)COCC 34a_100121572206_100000183358 [0,1,0,0,0,0|1,0,2]=4 1569 B9R0.18 CCCNC(=O)COCC 527a_100020643023_100000211967 [0,1,0,0,0,0|1,0,2]=4 1570 B9R0.18 CCCOC(=O)CNCC 2230a_100015525214_200011215008 [0,1,0,0,0,0|1,0,2]=4 1571 B9R0.18 CCCOC(=O)COCC 34a_100121572206_200011215008 [0,1,0,0,0,0|1,0,2]=4 1572 B9R0.18 CCCOC(=O)CSCC 62a_100000210202_200011215008 [0,1,0,0,0,0|1,0,2]=4 1573 B9R0.18 CCCOC(=O)CSCC 62a_200011215008_100000210202 [0,1,0,0,0,0|1,0,2]=4 1574 B9R0.18 CCCOC(=O)CSCF 62a_100015361967_200011215008 [0,1,0,0,0,0|2,0,1]=4 1575 B9R0.18 CCCOC(=O)CSCF 62a_200011215008_100015361967 [0,1,0,0,0,0|2,0,1]=4 1576 B9R0.18 CCCOC(=O)OCNC 34a_100102657272_200000139673 [0,1,0,0,0,0|1,0,2]=4 1577 B9R0.18 CCCOC(=O)OCNC 7a_106832991635_200000139673 [0,1,0,0,0,0|1,0,2]=4 1578 B9R0.18 CCCOC(=O)OCOC 34a_100138415774_200000139673 [0,1,0,0,0,0|1,0,2]=4 1579 B9R0.18 CCCOC(=O)OCSC 62a_200000210301_200000139673 [0,1,0,0,0,0|1,0,2]=4 1580 B9R0.18 CCCOC(=O)OCS[13CH3] 62a_200025704644_200000139673 [0,1,0,0,0,0|1,0,2]=4 1581 B9R0.18 CCNNC(=O)CCC#N 22a_100000756455_100011934036 [0,1,0,0,0,0|2,0,1]=4 1582 B9R0.18 CCNNC(=O)CCOC 22a_100000756455_100000749529 [0,1,0,0,0,0|2,0,1]=4 1583 B9R0.18 CCNNC(=O)CCSC 22a_100000756455_100000174002 [0,1,0,0,0,0|2,0,1]=4 1584 B9R0.18 CCOCC(=O)CCC#N 1458a_100000211967_100011215226 [0,1,0,0,0,0|1,0,1]=3 1585 B9R0.18 CCOCC(=O)CCCF 1458a_100000211967_100011934791 [0,1,0,0,0,0|1,0,1]=3 1586 B9R0.18 CCOCC(=O)CCCO 1458a_100000211967_100011215043 [0,1,0,0,0,0|1,0,1]=3 1587 B9R0.18 CCOCC(=O)CCOC 1458a_100000211967_100000233755 [0,1,0,0,0,0|1,0,1]=3 1588 B9R0.18 CCOCC(=O)CCSC 1458a_100000211967_100000751147 [0,1,0,0,0,0|1,0,1]=3 1589 B9R0.18 CCOCC(=O)NCC#N 1626a_100000734998_100000211967 [0,1,0,0,0,0|2,0,1]=4 1590 B9R0.18 CCOCC(=O)NCC#N 527a_100000734998_100000211967 [0,1,0,0,0,0|2,0,1]=4 1591 B9R0.18 CCOCC(=O)NCCF 11a_100000724931_100000211967 [0,1,0,0,0,0|2,0,1]=4 1592 B9R0.18 CCOCC(=O)NCCF 1626a_100000724931_100000211967 [0,1,0,0,0,0|2,0,1]=4 1593 B9R0.18 CCOCC(=O)NCCF 240690a_100000724931_100000211967 [0,1,0,0,0,0|2,0,1]=4 1594 B9R0.18 CCOCC(=O)NCCF 527a_100000724931_100000211967 [0,1,0,0,0,0|2,0,1]=4 1595 B9R0.18 CCOCC(=O)NCCO 240690a_100000210304_100000211967 [0,1,0,0,0,0|2,0,1]=4 1596 B9R0.18 CCOCC(=O)NCCO 527a_100000210304_100000211967 [0,1,0,0,0,0|2,0,1]=4 1597 B9R0.18 CCSCC(=O)CCC#N 1458a_100000230394_100011215226 [0,1,0,0,0,0|1,1,1]=4 1598 B9R0.18 CCSCC(=O)CCCF 1458a_100000230394_100011934791 [0,1,0,0,0,0|1,1,1]=4 1599 B9R0.18 CCSCC(=O)CCCO 1458a_100000230394_100011215043 [0,1,0,0,0,0|1,1,1]=4 1600 B9R0.18 CCSCC(=O)CCOC 1458a_100000230394_100000233755 [0,1,0,0,0,0|1,1,1]=4 1601 B9R0.18 CCSCC(=O)CCSC 1458a_100000230394_100000751147 [0,1,0,0,0,0|1,1,1]=4 1602 B9R0.18 COCCC(=O)CCC#N 1458a_100000749529_100011215226 [0,1,0,0,0,0|2,0,1]=4 1603 B9R0.18 COCCC(=O)CCC#N 1458a_100011934036_100000233755 [0,1,0,0,0,0|2,0,1]=4 1604 B9R0.18 COCCC(=O)CCCF 1458a_100000749529_100011934791 [0,1,0,0,0,0|2,0,1]=4 1605 B9R0.18 COCCC(=O)CCCO 1458a_100000749529_100011215043 [0,1,0,0,0,0|2,0,1]=4 1606 B9R0.18 COCCC(=O)CCOC 1458a_100000749529_100000233755 [0,1,0,0,0,0|2,0,1]=4 1607 B9R0.18 COCCC(=O)CCSC 1458a_100000174002_100000233755 [0,1,0,0,0,0|2,0,1]=4 1608 B9R0.18 COCCC(=O)CCSC 1458a_100000749529_100000751147 [0,1,0,0,0,0|2,0,1]=4 1609 B9R0.18 COCCC(=O)NCCF 11a_100000724931_100000749529 [0,1,0,0,0,0|2,0,1]=4 1610 B9R0.18 COCCC(=O)NCCF 1626a_100000724931_100000749529 [0,1,0,0,0,0|2,0,1]=4 1611 B9R0.18 COCCC(=O)NCCF 240690a_100000724931_100000749529 [0,1,0,0,0,0|2,0,1]=4 1612 B9R0.18 COCCC(=O)NCCF 527a_100000724931_100000749529 [0,1,0,0,0,0|2,0,1]=4 1613 B9R0.18 COCCC(=O)NCCO 240690a_100000210304_100000749529 [0,1,0,0,0,0|2,0,1]=4 1614 B9R0.18 COCCC(=O)NCCO 527a_100000210304_100000749529 [0,1,0,0,0,0|2,0,1]=4 1615 B9R0.18 CSCCC(=O)CCC#N 1458a_100000174002_100011215226 [0,1,0,0,0,0|2,0,1]=4 1616 B9R0.18 CSCCC(=O)CCC#N 1458a_100011934036_100000751147 [0,1,0,0,0,0|2,0,1]=4 1617 B9R0.18 CSCCC(=O)CCCF 1458a_100000174002_100011934791 [0,1,0,0,0,0|2,0,1]=4 1618 B9R0.18 CSCCC(=O)CCCO 1458a_100000174002_100011215043 [0,1,0,0,0,0|2,0,1]=4 1619 B9R0.18 CSCCC(=O)CCSC 1458a_100000174002_100000751147 [0,1,0,0,0,0|2,0,1]=4 1620 B9R0.18 CSCCC(=O)NCCF 11a_100000724931_100000174002 [0,1,0,0,0,0|2,0,1]=4 1621 B9R0.18 CSCCC(=O)NCCF 1626a_100000724931_100000174002 [0,1,0,0,0,0|2,0,1]=4 1622 B9R0.18 CSCCC(=O)NCCF 240690a_100000724931_100000174002 [0,1,0,0,0,0|2,0,1]=4 1623 B9R0.18 CSCCC(=O)NCCF 527a_100000724931_100000174002 [0,1,0,0,0,0|2,0,1]=4 1624 B9R0.18 CSCCC(=O)NCCO 240690a_100000210304_100000174002 [0,1,0,0,0,0|2,0,1]=4 1625 B9R0.18 CSCCC(=O)NCCO 527a_100000210304_100000174002 [0,1,0,0,0,0|2,0,1]=4 1626 B9R0.18 N#CCCC(=O)CCCF 1458a_100011934036_100011934791 [0,1,0,0,0,0|2,0,1]=4 1627 B9R0.18 N#CCCC(=O)CCCO 1458a_100011934036_100011215043 [0,1,0,0,0,0|2,0,1]=4 1628 B9R0.18 N#CCCC(=O)NCCF 11a_100000724931_100011934036 [0,1,0,0,0,0|2,0,1]=4 1629 B9R0.18 N#CCCC(=O)NCCF 1626a_100000724931_100011934036 [0,1,0,0,0,0|2,0,1]=4 1630 B9R0.18 N#CCCC(=O)NCCF 240690a_100000724931_100011934036 [0,1,0,0,0,0|2,0,1]=4 1631 B9R0.18 N#CCCC(=O)NCCF 527a_100000724931_100011934036 [0,1,0,0,0,0|2,0,1]=4 1632 B9R0.18 N#CCCC(=O)NCCO 240690a_100000210304_100011934036 [0,1,0,0,0,0|2,0,1]=4 1633 B9R0.18 N#CCCC(=O)NCCO 527a_100000210304_100011934036 [0,1,0,0,0,0|2,0,1]=4 1634 B9R0.34 C#CC(=O)CC(=O)OCC 1458a_100000211873_100000188475 [0,1,0,0,0,0|0,0,3]=4 1635 B9R0.34 C#CCC(=O)CC(C)C=C 1458a_100011934298_100000184674 [0,1,0,0,0,0|1,0,2]=4 1636 B9R0.34 C=CC(=O)CC(=O)CCC 1458a_100000185746_100000747444 [0,1,0,0,0,0|1,0,1]=3 1637 B9R0.34 C=CC(=O)CC(=O)NCC 1458a_100000185746_100000183381 [0,1,0,0,0,0|1,0,1]=3 1638 B9R0.34 C=CC(=O)CC(=O)NCO 1458a_100000185746_100000185155 [0,1,0,0,0,0|2,0,1]=4 1639 B9R0.34 C=CC(=O)CC(=O)OCC 1458a_100000185746_100000188475 [0,1,0,0,0,0|0,0,1]=2 1640 B9R0.34 C=CC(C)CC(=O)CC#N 1458a_100011934298_100011214920 [0,1,0,0,0,0|2,0,1]=4 1641 B9R0.34 C=CC(C)CC(=O)CCC 1458a_100011934298_100000210303 [0,1,0,0,0,0|1,0,0]=2 1642 B9R0.34 C=CC(C)CC(=O)CCF 1458a_100011934298_100011217306 [0,1,0,0,0,0|2,0,0]=3 1643 B9R0.34 C=CC(C)CC(=O)CCO 1458a_100011934298_100000211926 [0,1,0,0,0,0|2,0,0]=3 1644 B9R0.34 C=CC(C)CC(=O)NCC 11a_100015525214_100011934298 [0,1,0,0,0,0|1,0,0]=2 1645 B9R0.34 C=CC(C)CC(=O)NCC 240690a_100015525214_100011934298 [0,1,0,0,0,0|1,0,0]=2 1646 B9R0.34 C=CC(C)CC(=O)NCC 527a_100015525214_100011934298 [0,1,0,0,0,0|1,0,0]=2 1647 B9R0.34 C=CC(C)CC(=O)NNC 22a_100016993582_100011934298 [0,1,0,0,0,0|2,0,0]=3 1648 B9R0.34 C=CC(O)CN(C)CCC 2230a_100000747261_100000730141 [0,1,0,0,0,0|3,0,0]=4 1649 B9R0.34 C=CCC(=O)CC(C)C=C 1458a_100011934298_100000210623 [0,1,0,0,0,0|1,0,2]=4 1650 B9R0.34 C=COC(=O)CC(=O)C=C 1458a_100000185746_100000036128 [0,1,0,0,0,0|0,0,3]=4 1651 B9R0.34 CCCC(=O)CC(C)CC 1458a_100000211992_100000748023 [0,1,0,0,0,0|1,0,2]=4 1652 B9R0.34 CCCC(=O)CC(C)CC 1458a_100000708755_100000210303 [0,1,0,0,0,0|1,0,2]=4 1653 B9R0.34 CCCC(=O)CC(O)CC 1458a_100000211992_100011218378 [0,1,0,0,0,0|1,0,2]=4 1654 B9R0.34 CCCC(=O)CC(O)CC 1458a_100011667805_100000210303 [0,1,0,0,0,0|1,0,2]=4 1655 B9R0.34 CCCC(=O)C[C@@H](C)CC 1458a_100000211992_100009816398 [0,1,0,0,0,0|1,0,2]=4 1656 B9R0.34 CCCC(=O)C[C@@H](C)CO 1458a_100000211992_100000059175 [0,1,0,0,0,0|2,0,1]=4 1657 B9R0.34 CCNC(=O)CC(C)CC 11a_100015525214_100000708755 [0,1,0,0,0,0|1,0,2]=4 1658 B9R0.34 CCNC(=O)CC(C)CC 240690a_100015525214_100000708755 [0,1,0,0,0,0|1,0,2]=4 1659 B9R0.34 CCNC(=O)CC(C)CC 527a_100015525214_100000708755 [0,1,0,0,0,0|1,0,2]=4 1660 B9R0.34 CCNC(=O)CC(O)CC 240690a_100015525214_100011667805 [0,1,0,0,0,0|1,0,2]=4 1661 B9R0.34 CCOC(=O)CC(=O)CC 1458a_100000210414_100000188475 [0,1,0,0,0,0|0,0,3]=4 1662 B9R0.34 CCOC(=O)CC(=O)CC 1458a_100000243816_100000210202 [0,1,0,0,0,0|0,0,3]=4 1663 B9R0.34 CCOC(=O)CC(=O)CF 1458a_100000243816_100015361967 [0,1,0,0,0,0|1,0,2]=4 1664 B9R0.34 CCOC(=O)CC(=O)CO 1458a_100000210174_100000188475 [0,1,0,0,0,0|1,0,2]=4 1665 B9R0.34 CCOC(=O)CC(=O)NC 240690a_100102657272_100000243816 [0,1,0,0,0,0|1,0,2]=4 1666 B9R0.34 CCOC(=O)CC(C)NC 2230a_106832991635_100009817359 [0,1,0,0,0,0|1,0,1]=3 1667 B9R0.34 CCOC(=O)CC(C)NC 7a_106832991635_100009817359 [0,1,0,0,0,0|1,0,1]=3 1668 B9R0.34 CCOC(=O)CC(C)SC 62a_100009817359_200000210301 [0,1,0,0,0,0|1,0,1]=3 1669 B9R0.34 CCOC(=O)CC(C)SC 62a_200000210301_100009817359 [0,1,0,0,0,0|1,0,1]=3 1670 B9R0.34 CCOC(=O)CC(C)S[13CH3] 62a_100009817359_200025704644 [0,1,0,0,0,0|1,0,1]=3 1671 B9R0.34 CCOC(=O)CC(C)S[13CH3] 62a_200025704644_100009817359 [0,1,0,0,0,0|1,0,1]=3 1672 B9R0.34 CCOC(=O)CN(C)CC 2230a_100000220588_100000210202 [0,1,0,0,0,0|1,0,2]=4 1673 B9R0.34 CCOC(=O)CN(C)CC 2230a_100000220607_200000210301 [0,1,0,0,0,0|1,0,2]=4 1674 B9R0.34 CCOC(=O)CN(C)CC 2230a_100000225621_100000188475 [0,1,0,0,0,0|1,0,2]=4 1675 B9R0.34 CCOC(=O)CN(C)CC 269982a_100000220607_200000210301 [0,1,0,0,0,0|1,0,2]=4 1676 B9R0.34 CCOC(=O)CN(C)CC 269982a_100000225621_100000188475 [0,1,0,0,0,0|1,0,2]=4 1677 B9R0.34 CCOC(=O)CN([13CH3])CC 2230a_100000220607_200025704644 [0,1,0,0,0,0|1,0,2]=4 1678 B9R0.34 CCOC(=O)CN([13CH3])CC 269982a_100000220607_200025704644 [0,1,0,0,0,0|1,0,2]=4 1679 B9R0.34 CCOC(=O)C[C@@H](C)OC 7a_100009816390_200000210301 [0,1,0,0,0,0|1,0,1]=3 1680 B9R0.34 CCOC(=O)C[C@@H](C)O[13CH3] 7a_100009816390_200025704644 [0,1,0,0,0,0|1,0,1]=3 1681 B9R0.34 CCOC(=O)OC(C)SC 62a_100000036008_200000210301 [0,1,0,0,0,0|2,0,1]=4 1682 B9R0.34 CCOC(=O)OC(C)SC 62a_200000210301_100000036008 [0,1,0,0,0,0|2,0,1]=4 1683 B9R0.34 CCOC(=O)OC(C)S[13CH3] 62a_100000036008_200025704644 [0,1,0,0,0,0|2,0,1]=4 1684 B9R0.34 CCOC(=O)OC(C)S[13CH3] 62a_200025704644_100000036008 [0,1,0,0,0,0|2,0,1]=4 1685 B9R0.35 C#CCC(=O)C(C)CC=C 1458a_100011216819_100000184674 [0,1,0,0,0,0|1,0,2]=4 1686 B9R0.35 C=C(CNC)C(=O)OCC 34a_100102657272_100000755967 [0,1,0,0,0,0|1,0,2]=4 1687 B9R0.35 C=C(CNC)C(=O)OCC 7a_106832991635_100000755967 [0,1,0,0,0,0|1,0,2]=4 1688 B9R0.35 C=C(COC)C(=O)OCC 34a_100138415774_100000755967 [0,1,0,0,0,0|1,0,2]=4 1689 B9R0.35 C=C(CSC)C(=O)OCC 62a_100000755967_200000210301 [0,1,0,0,0,0|1,0,2]=4 1690 B9R0.35 C=C(CSC)C(=O)OCC 62a_200000210301_100000755967 [0,1,0,0,0,0|1,0,2]=4 1691 B9R0.35 C=C(CS[13CH3])C(=O)OCC 62a_100000755967_200025704644 [0,1,0,0,0,0|1,0,2]=4 1692 B9R0.35 C=C(CS[13CH3])C(=O)OCC 62a_200025704644_100000755967 [0,1,0,0,0,0|1,0,2]=4 1693 B9R0.35 C=CCC(=O)/C(=C/CC)/C 1458a_100016988807_100000210623 [0,1,0,0,0,0|2,0,1]=4 1694 B9R0.35 C=CCC(=O)C(=O)NCC 1458a_200011297158_100000210623 [0,1,0,0,0,0|1,0,1]=3 1695 B9R0.35 C=CCC(=O)C(C)CC=C 1458a_100011216819_100000210623 [0,1,0,0,0,0|1,0,2]=4 1696 B9R0.35 C=CCC(=O)C(C)OCC 1458a_100000739345_100000210623 [0,1,0,0,0,0|1,0,2]=4 1697 B9R0.35 C=CCC(C)C(=O)CC#N 1458a_100011216819_100011214920 [0,1,0,0,0,0|2,0,1]=4 1698 B9R0.35 C=CCC(C)C(=O)CCC 1458a_100011216819_100000210303 [0,1,0,0,0,0|1,0,0]=2 1699 B9R0.35 C=CCC(C)C(=O)CCF 1458a_100011216819_100011217306 [0,1,0,0,0,0|2,0,0]=3 1700 B9R0.35 C=CCC(C)C(=O)CCO 1458a_100011216819_100000211926 [0,1,0,0,0,0|2,0,0]=3 1701 B9R0.35 C=CCC(C)C(=O)NCC 11a_100015525214_100011216819 [0,1,0,0,0,0|1,0,0]=2 1702 B9R0.35 C=CCC(C)C(=O)NCC 240690a_100015525214_100011216819 [0,1,0,0,0,0|1,0,0]=2 1703 B9R0.35 C=CCC(C)C(=O)NCC 527a_100015525214_100011216819 [0,1,0,0,0,0|1,0,0]=2 1704 B9R0.35 C=CCC(C)C(=O)NNC 22a_100016993582_100011216819 [0,1,0,0,0,0|2,0,0]=3 1705 B9R0.35 C=CCN(C)C(=O)C=CC 11a_100000225617_100000210699 [0,1,0,0,0,0|2,0,1]=4 1706 B9R0.35 C=CCN(C)C(=O)C=CC 1626a_100000225617_100000210699 [0,1,0,0,0,0|2,0,1]=4 1707 B9R0.35 C=CCN(C)C(=O)C=CC 240690a_100000225617_100000210699 [0,1,0,0,0,0|2,0,1]=4 1708 B9R0.35 C=CCN(C)C(=O)CCC 11a_100000225617_100000211992 [0,1,0,0,0,0|2,0,0]=3 1709 B9R0.35 C=CCN(C)C(=O)CCC 1626a_100000225617_100000211992 [0,1,0,0,0,0|2,0,0]=3 1710 B9R0.35 C=CCN(C)C(=O)CCC 240690a_100000225617_100000211992 [0,1,0,0,0,0|2,0,0]=3 1711 B9R0.35 C=CCN(C)C(=O)CCC 527a_100000225617_100000211992 [0,1,0,0,0,0|2,0,0]=3 1712 B9R0.35 C=CCN(C)C(=O)CCO 240690a_100000225617_100011216618 [0,1,0,0,0,0|3,0,0]=4 1713 B9R0.35 C=CCN(C)C(=O)COC 11a_100000225617_100000210968 [0,1,0,0,0,0|3,0,0]=4 1714 B9R0.35 C=CCN(C)C(=O)COC 1626a_100000225617_100000210968 [0,1,0,0,0,0|3,0,0]=4 1715 B9R0.35 C=CCN(C)C(=O)COC 240690a_100000225617_100000210968 [0,1,0,0,0,0|3,0,0]=4 1716 B9R0.35 C=CCN(C)C(=O)COC 527a_100000225617_100000210968 [0,1,0,0,0,0|3,0,0]=4 1717 B9R0.35 C=CCN(C)C(=O)CSC 11a_100000225617_100000184570 [0,1,0,0,0,0|3,0,0]=4 1718 B9R0.35 C=CCN(C)C(=O)CSC 1626a_100000225617_100000184570 [0,1,0,0,0,0|3,0,0]=4 1719 B9R0.35 C=CCN(C)C(=O)CSC 240690a_100000225617_100000184570 [0,1,0,0,0,0|3,0,0]=4 1720 B9R0.35 C=CCN(C)C(=O)CSC 527a_100000225617_100000184570 [0,1,0,0,0,0|3,0,0]=4 1721 B9R0.35 C=CCN(C)C(=O)NCC 2708a_100015525214_100000225617 [0,1,0,0,0,0|2,0,0]=3 1722 B9R0.35 C=CCN(C)C(=O)NCC 273464a_100015525214_100000225617 [0,1,0,0,0,0|2,0,0]=3 1723 B9R0.35 CCCC(=O)C(C)CC#N 1458a_100000211992_100009813641 [0,1,0,0,0,0|2,0,1]=4 1724 B9R0.35 CCCC(=O)C(C)CCC 1458a_100000210906_100000210303 [0,1,0,0,0,0|1,0,2]=4 1725 B9R0.35 CCCC(=O)C(C)CCC 1458a_100000211992_100000766640 [0,1,0,0,0,0|1,0,2]=4 1726 B9R0.35 CCCC(=O)C(C)CCO 1458a_100000211992_100009893172 [0,1,0,0,0,0|2,0,1]=4 1727 B9R0.35 CCCC(=O)C(C)COC 1458a_100000211992_100000765312 [0,1,0,0,0,0|2,0,1]=4 1728 B9R0.35 CCCC(=O)C(C)COC 1458a_100000751857_100000210303 [0,1,0,0,0,0|2,0,1]=4 1729 B9R0.35 CCCC(=O)C(C)CSC 1458a_100000753918_100000210303 [0,1,0,0,0,0|2,0,1]=4 1730 B9R0.35 CCCC(=O)[C@@H](O)CCC 1458a_100009822183_100000210303 [0,1,0,0,0,0|1,0,2]=4 1731 B9R0.35 CCCC(C)C(=O)NCC 11a_100015525214_100000210906 [0,1,0,0,0,0|1,0,2]=4 1732 B9R0.35 CCCC(C)C(=O)NCC 240690a_100015525214_100000210906 [0,1,0,0,0,0|1,0,2]=4 1733 B9R0.35 CCCC(C)C(=O)NCC 527a_100015525214_100000210906 [0,1,0,0,0,0|1,0,2]=4 1734 B9R0.35 CCC[C@H](O)C(=O)NCC 240690a_100015525214_100009822183 [0,1,0,0,0,0|1,0,2]=4 1735 B9R0.35 CCNC(=O)C(C)COC 11a_100015525214_100000751857 [0,1,0,0,0,0|2,0,1]=4 1736 B9R0.35 CCNC(=O)C(C)COC 240690a_100015525214_100000751857 [0,1,0,0,0,0|2,0,1]=4 1737 B9R0.35 CCNC(=O)C(C)COC 527a_100015525214_100000751857 [0,1,0,0,0,0|2,0,1]=4 1738 B9R0.35 CCNC(=O)C(C)CSC 11a_100015525214_100000753918 [0,1,0,0,0,0|2,0,1]=4 1739 B9R0.35 CCNC(=O)C(C)CSC 240690a_100015525214_100000753918 [0,1,0,0,0,0|2,0,1]=4 1740 B9R0.35 CCNC(=O)C(C)CSC 527a_100015525214_100000753918 [0,1,0,0,0,0|2,0,1]=4 1741 B9R0.35 CCNC(C)C(=O)OCC 2230a_100015525214_100011215307 [0,1,0,0,0,0|1,0,2]=4 1742 B9R0.35 CCNC(F)C(=O)OCC 2230a_100015525214_100000760018 [0,1,0,0,0,0|1,0,2]=4 1743 B9R0.35 CCOC(=O)C(=O)CSC 62a_100000211299_200000210301 [0,1,0,0,0,0|1,0,2]=4 1744 B9R0.35 CCOC(=O)C(=O)CSC 62a_200000210301_100000211299 [0,1,0,0,0,0|1,0,2]=4 1745 B9R0.35 CCOC(=O)C(=O)CS[13CH3] 62a_100000211299_200025704644 [0,1,0,0,0,0|1,0,2]=4 1746 B9R0.35 CCOC(=O)C(=O)CS[13CH3] 62a_200025704644_100000211299 [0,1,0,0,0,0|1,0,2]=4 1747 B9R0.35 CCOC(=O)C(C)OCC 34a_100121572206_100011216346 [0,1,0,0,0,0|1,0,2]=4 1748 B9R0.35 CCOC(=O)C(C)SCC 62a_100000210202_100011216346 [0,1,0,0,0,0|1,0,2]=4 1749 B9R0.35 CCOC(=O)C(C)SCC 62a_100011216346_100000210202 [0,1,0,0,0,0|1,0,2]=4 1750 B9R0.35 CCOC(=O)C(C)SCF 62a_100011216346_100015361967 [0,1,0,0,0,0|2,0,1]=4 1751 B9R0.35 CCOC(=O)C(C)SCF 62a_100015361967_100011216346 [0,1,0,0,0,0|2,0,1]=4 1752 B9R0.35 CCOC(=O)C(F)OCC 34a_100121572206_100000760018 [0,1,0,0,0,0|1,0,2]=4 1753 B9R0.35 CCOC(=O)C(F)SCC 62a_100000210202_100000760018 [0,1,0,0,0,0|1,0,2]=4 1754 B9R0.35 CCOC(=O)C(F)SCC 62a_100000760018_100000210202 [0,1,0,0,0,0|1,0,2]=4 1755 B9R0.35 CCOC(=O)C(F)SCF 62a_100000760018_100015361967 [0,1,0,0,0,0|2,0,1]=4 1756 B9R0.35 CCOC(=O)C(F)SCF 62a_100015361967_100000760018 [0,1,0,0,0,0|2,0,1]=4 1757 B9R0.35 CCOC(=O)[C@H](C)OCC 7a_100000751109_100000210202 [0,1,0,0,0,0|1,0,2]=4 1758 B9R0.35 CCOC(=O)[C@H](C)OCF 7a_100000751109_100015361967 [0,1,0,0,0,0|2,0,1]=4 1759 B9R0.40 C=CCCN(CC)CCC 2230a_100000226822_100000754431 [0,1,0,0,0,0|3,0,0]=4 1760 B9R0.40 C=CCCN(CC)CCC 269982a_100000226822_100000754431 [0,1,0,0,0,0|3,0,0]=4 1761 B9R0.48 C#CCC(=O)CCC(=C)C 1458a_100011220946_100000730704 [0,1,0,0,0,0|1,0,2]=4 1762 B9R0.48 C#CCC(=O)CCC(=C)C 1458a_200000688413_100000184674 [0,1,0,0,0,0|1,0,2]=4 1763 B9R0.48 C=C(C)CCC(=O)C#CC 1458a_100000763181_100000730704 [0,1,0,0,0,0|1,0,1]=3 1764 B9R0.48 C=C(C)CCC(=O)C=CBr 1458a_100016273825_100000730704 [0,1,0,0,0,0|2,0,1]=4 1765 B9R0.48 C=C(C)CCC(=O)C=CC 1458a_100000210699_100000730704 [0,1,0,0,0,0|1,0,1]=3 1766 B9R0.48 C=C(C)CCC(=O)C=CCl 1458a_200016279998_100000730704 [0,1,0,0,0,0|2,0,1]=4 1767 B9R0.48 C=C(C)CCC(=O)C=CI 1458a_100016256311_100000730704 [0,1,0,0,0,0|2,0,1]=4 1768 B9R0.48 C=C(C)CCC(=O)CC#N 1458a_100051588842_100000730704 [0,1,0,0,0,0|2,0,1]=4 1769 B9R0.48 C=C(C)CCC(=O)CC#N 1458a_200000688413_100011214920 [0,1,0,0,0,0|2,0,1]=4 1770 B9R0.48 C=C(C)CCC(=O)CCC 1458a_100000211992_100000730704 [0,1,0,0,0,0|1,0,0]=2 1771 B9R0.48 C=C(C)CCC(=O)CCC 1458a_200000688413_100000210303 [0,1,0,0,0,0|1,0,0]=2 1772 B9R0.48 C=C(C)CCC(=O)CCF 1458a_200000688413_100011217306 [0,1,0,0,0,0|2,0,0]=3 1773 B9R0.48 C=C(C)CCC(=O)CCO 1458a_100011216618_100000730704 [0,1,0,0,0,0|2,0,0]=3 1774 B9R0.48 C=C(C)CCC(=O)CCO 1458a_200000688413_100000211926 [0,1,0,0,0,0|2,0,0]=3 1775 B9R0.48 C=C(C)CCC(=O)COC 1458a_100000210968_100000730704 [0,1,0,0,0,0|2,0,0]=3 1776 B9R0.48 C=C(C)CCC(=O)CSC 1458a_100000184570_100000730704 [0,1,0,0,0,0|2,0,0]=3 1777 B9R0.48 C=C(C)CCC(=O)NCC 11a_100015525214_200000688413 [0,1,0,0,0,0|1,0,0]=2 1778 B9R0.48 C=C(C)CCC(=O)NCC 240690a_100015525214_200000688413 [0,1,0,0,0,0|1,0,0]=2 1779 B9R0.48 C=C(C)CCC(=O)NCC 527a_100015525214_200000688413 [0,1,0,0,0,0|1,0,0]=2 1780 B9R0.48 C=C(C)CCC(=O)NNC 22a_100016993582_200000688413 [0,1,0,0,0,0|2,0,0]=3 1781 B9R0.48 C=C(C)CCC(C)NCC 270004a_100015525214_100011215600 [0,1,0,0,0,0|2,0,1]=4 1782 B9R0.48 C=C(C)CCN(C)CCC 2230a_100000747261_100000730704 [0,1,0,0,0,0|3,0,0]=4 1783 B9R0.48 C=C(C)CCN(C)CCC 269982a_100000747261_100000730704 [0,1,0,0,0,0|3,0,0]=4 1784 B9R0.48 C=C(C)CNC(=O)C=CC 11a_100000765925_100000210699 [0,1,0,0,0,0|2,0,1]=4 1785 B9R0.48 C=C(C)CNC(=O)C=CC 1626a_100000765925_100000210699 [0,1,0,0,0,0|2,0,1]=4 1786 B9R0.48 C=C(C)CNC(=O)C=CC 240690a_100000765925_100000210699 [0,1,0,0,0,0|2,0,1]=4 1787 B9R0.48 C=C(C)CNC(=O)CCC 11a_100000765925_100000211992 [0,1,0,0,0,0|2,0,0]=3 1788 B9R0.48 C=C(C)CNC(=O)CCC 1626a_100000765925_100000211992 [0,1,0,0,0,0|2,0,0]=3 1789 B9R0.48 C=C(C)CNC(=O)CCC 240690a_100000765925_100000211992 [0,1,0,0,0,0|2,0,0]=3 1790 B9R0.48 C=C(C)CNC(=O)CCC 527a_100000765925_100000211992 [0,1,0,0,0,0|2,0,0]=3 1791 B9R0.48 C=C(C)CNC(=O)CCO 240690a_100000765925_100011216618 [0,1,0,0,0,0|3,0,0]=4 1792 B9R0.48 C=C(C)CNC(=O)COC 11a_100000765925_100000210968 [0,1,0,0,0,0|3,0,0]=4 1793 B9R0.48 C=C(C)CNC(=O)COC 1626a_100000765925_100000210968 [0,1,0,0,0,0|3,0,0]=4 1794 B9R0.48 C=C(C)CNC(=O)COC 240690a_100000765925_100000210968 [0,1,0,0,0,0|3,0,0]=4 1795 B9R0.48 C=C(C)CNC(=O)COC 527a_100000765925_100000210968 [0,1,0,0,0,0|3,0,0]=4 1796 B9R0.48 C=C(C)CNC(=O)CSC 11a_100000765925_100000184570 [0,1,0,0,0,0|3,0,0]=4 1797 B9R0.48 C=C(C)CNC(=O)CSC 1626a_100000765925_100000184570 [0,1,0,0,0,0|3,0,0]=4 1798 B9R0.48 C=C(C)CNC(=O)CSC 240690a_100000765925_100000184570 [0,1,0,0,0,0|3,0,0]=4 1799 B9R0.48 C=C(C)CNC(=O)CSC 527a_100000765925_100000184570 [0,1,0,0,0,0|3,0,0]=4 1800 B9R0.48 C=C(C)CNC(=O)NCC 2708a_100000765925_100015525214 [0,1,0,0,0,0|2,0,0]=3 1801 B9R0.48 C=C(C)CNC(=O)NCC 2708a_100015525214_100000765925 [0,1,0,0,0,0|2,0,0]=3 1802 B9R0.48 C=C(C)CNC(=O)NCC 273464a_100000765925_100015525214 [0,1,0,0,0,0|2,0,0]=3 1803 B9R0.48 C=C(C)CNC(=O)NCC 273464a_100015525214_100000765925 [0,1,0,0,0,0|2,0,0]=3 1804 B9R0.48 C=C(C)CNC(=O)NCC 512a_100000765925_100015525214 [0,1,0,0,0,0|2,0,0]=3 1805 B9R0.48 C=C(C)CNC(=O)NCC 512a_100015525214_100000765925 [0,1,0,0,0,0|2,0,0]=3 1806 B9R0.48 C=C(C)CNC(=O)NNC 273464a_100000765925_100016993582 [0,1,0,0,0,0|3,0,0]=4 1807 B9R0.48 C=C(C)CNC(=O)NNC 512a_100000765925_100016993582 [0,1,0,0,0,0|3,0,0]=4 1808 B9R0.48 C=C(C)CNC(=O)NNC 512a_100016993582_100000765925 [0,1,0,0,0,0|3,0,0]=4 1809 B9R0.48 C=CCC(=O)CCC(=C)C 1458a_100000210193_100000730704 [0,1,0,0,0,0|1,0,2]=4 1810 B9R0.48 C=CCC(=O)CCC(=C)C 1458a_200000688413_100000210623 [0,1,0,0,0,0|1,0,2]=4 1811 B9R0.48 CCCC(=O)CC=C(C)C 1458a_100000211992_100000761012 [0,1,0,0,0,0|1,0,2]=4 1812 B9R0.48 CCCC(=O)CC=C(C)C 1458a_100011220947_100000210303 [0,1,0,0,0,0|1,0,2]=4 1813 B9R0.48 CCCC(=O)CCC(=O)N 1458a_100011215257_100000210303 [0,1,0,0,0,0|2,0,0]=3 1814 B9R0.48 CCCC(=O)CCC(C)C 1458a_100000181311_100000210303 [0,1,0,0,0,0|1,0,2]=4 1815 B9R0.48 CCCC(=O)CCC(C)C 1458a_100000211992_100000210312 [0,1,0,0,0,0|1,0,2]=4 1816 B9R0.48 CCCC(=O)CCC(C)O 1458a_100000211992_100012276601 [0,1,0,0,0,0|1,0,2]=4 1817 B9R0.48 CCCC(=O)CC[N+](=O)[O-] 1458a_200000064761_100000210303 [0,1,0,0,0,0|3,0,0]=4 1818 B9R0.48 CCCC(=O)CC[S+](C)C 1458a_100009452791_100000210303 [0,1,0,0,0,0|2,0,1]=4 1819 B9R0.48 CCCC(=O)CNC(=O)C 1458a_100000194580_100000210303 [0,1,0,0,0,0|2,0,1]=4 1820 B9R0.48 CCCC(=O)CNC(=O)N 1458a_100000184981_100000210303 [0,1,0,0,0,0|3,0,0]=4 1821 B9R0.48 CCCC(=O)COC(=O)C 1458a_100000183556_100000210303 [0,1,0,0,0,0|2,0,1]=4 1822 B9R0.48 CCCC(=O)CSC(=O)C 1458a_100000049016_100000210303 [0,1,0,0,0,0|2,0,1]=4 1823 B9R0.48 CCCC(=O)NCC(=O)N 11a_100000711301_100000211992 [0,1,0,0,0,0|3,0,0]=4 1824 B9R0.48 CCCC(=O)NCC(=O)N 240690a_100000711301_100000211992 [0,1,0,0,0,0|3,0,0]=4 1825 B9R0.48 CCCC(=O)NCC(=O)N 527a_100000711301_100000211992 [0,1,0,0,0,0|3,0,0]=4 1826 B9R0.48 CCCC(=O)OCC(=O)C 1458a_100000070787_100000034017 [0,1,0,0,0,0|2,0,1]=4 1827 B9R0.48 CCNC(=O)CC=C(C)C 11a_100015525214_100011220947 [0,1,0,0,0,0|1,0,2]=4 1828 B9R0.48 CCNC(=O)CC=C(C)C 240690a_100015525214_100011220947 [0,1,0,0,0,0|1,0,2]=4 1829 B9R0.48 CCNC(=O)CC=C(C)C 527a_100015525214_100011220947 [0,1,0,0,0,0|1,0,2]=4 1830 B9R0.48 CCNC(=O)CCC(=O)C 1458a_100000199579_200000210301 [0,1,0,0,0,0|1,0,1]=3 1831 B9R0.48 CCNC(=O)CCC(=O)N 240690a_100015525214_100011215257 [0,1,0,0,0,0|2,0,0]=3 1832 B9R0.48 CCNC(=O)CCC(=O)N 527a_100015525214_100011215257 [0,1,0,0,0,0|2,0,0]=3 1833 B9R0.48 CCNC(=O)CCC(=O)[13CH3] 1458a_100000199579_200025704644 [0,1,0,0,0,0|1,0,1]=3 1834 B9R0.48 CCNC(=O)CCC(C)C 11a_100015525214_100000181311 [0,1,0,0,0,0|1,0,2]=4 1835 B9R0.48 CCNC(=O)CCC(C)C 240690a_100015525214_100000181311 [0,1,0,0,0,0|1,0,2]=4 1836 B9R0.48 CCNC(=O)CCC(C)C 527a_100015525214_100000181311 [0,1,0,0,0,0|1,0,2]=4 1837 B9R0.48 CCNC(=O)CCN(C)C 11a_100015525214_100000689311 [0,1,0,0,0,0|2,0,1]=4 1838 B9R0.48 CCNC(=O)CCN(C)C 2230a_100102631434_100000737597 [0,1,0,0,0,0|2,0,1]=4 1839 B9R0.48 CCNC(=O)CCN(C)C 240690a_100015525214_100000689311 [0,1,0,0,0,0|2,0,1]=4 1840 B9R0.48 CCNC(=O)CCN(C)C 269982a_100102631434_100000737597 [0,1,0,0,0,0|2,0,1]=4 1841 B9R0.48 CCNC(=O)CCN(C)C 527a_100015525214_100000689311 [0,1,0,0,0,0|2,0,1]=4 1842 B9R0.48 CCNC(=O)CC[N+](=O)[O-] 11a_100015525214_200000064761 [0,1,0,0,0,0|3,0,0]=4 1843 B9R0.48 CCNC(=O)CC[N+](=O)[O-] 240690a_100015525214_200000064761 [0,1,0,0,0,0|3,0,0]=4 1844 B9R0.48 CCNC(=O)CC[S+](C)C 11a_100015525214_100009452791 [0,1,0,0,0,0|2,0,1]=4 1845 B9R0.48 CCNC(=O)CC[S+](C)C 240690a_100015525214_100009452791 [0,1,0,0,0,0|2,0,1]=4 1846 B9R0.48 CCNC(=O)CNC(=O)C 11a_100015525214_100000194580 [0,1,0,0,0,0|2,0,1]=4 1847 B9R0.48 CCNC(=O)CNC(=O)C 11a_100016988866_100015343762 [0,1,0,0,0,0|2,0,1]=4 1848 B9R0.48 CCNC(=O)CNC(=O)C 1626a_100016988866_100015343762 [0,1,0,0,0,0|2,0,1]=4 1849 B9R0.48 CCNC(=O)CNC(=O)C 240690a_100015525214_100000194580 [0,1,0,0,0,0|2,0,1]=4 1850 B9R0.48 CCNC(=O)CNC(=O)C 240690a_100016988866_100015343762 [0,1,0,0,0,0|2,0,1]=4 1851 B9R0.48 CCNC(=O)CNC(=O)C 527a_100015525214_100000194580 [0,1,0,0,0,0|2,0,1]=4 1852 B9R0.48 CCNC(=O)CNC(=O)C 527a_100016988866_100103153847 [0,1,0,0,0,0|2,0,1]=4 1853 B9R0.48 CCNC(=O)CNC(=O)N 240690a_100015525214_100000184981 [0,1,0,0,0,0|3,0,0]=4 1854 B9R0.48 CCNC(=O)CNC(=O)N 527a_100015525214_100000184981 [0,1,0,0,0,0|3,0,0]=4 1855 B9R0.48 CCNC(=O)COC(=O)C 240690a_100015525214_100000183556 [0,1,0,0,0,0|2,0,1]=4 1856 B9R0.48 CCNC(=O)COC(=O)C 527a_100015525214_100000183556 [0,1,0,0,0,0|2,0,1]=4 1857 B9R0.48 CCNC(=O)CSC(=O)C 11a_100015525214_100000049016 [0,1,0,0,0,0|2,0,1]=4 1858 B9R0.48 CCNC(=O)CSC(=O)C 240690a_100015525214_100000049016 [0,1,0,0,0,0|2,0,1]=4 1859 B9R0.48 CCNC(=O)CSC(=O)N 240690a_100015525214_200015941356 [0,1,0,0,0,0|3,0,0]=4 1860 B9R0.48 CCNC(=O)NCC(=O)N 2708a_100015525214_100000711301 [0,1,0,0,0,0|3,0,0]=4 1861 B9R0.48 CCNC(=O)NCC(=O)N 273464a_100000711301_100015525214 [0,1,0,0,0,0|3,0,0]=4 1862 B9R0.48 CCNC(=O)NCC(=O)N 273464a_100015525214_100000711301 [0,1,0,0,0,0|3,0,0]=4 1863 B9R0.48 CCNC(=O)NCC(=O)N 512a_100015525214_100000711301 [0,1,0,0,0,0|3,0,0]=4 1864 B9R0.48 CCOC(=O)C=CC(=O)C 1458a_100000210415_200000210301 [0,1,0,0,0,0|0,0,3]=4 1865 B9R0.48 CCOC(=O)C=CC(=O)[13CH3] 1458a_100000210415_200025704644 [0,1,0,0,0,0|0,0,3]=4 1866 B9R0.48 CCOC(=O)CCC(=O)C 1458a_100000183558_200000210301 [0,1,0,0,0,0|0,0,1]=2 1867 B9R0.48 CCOC(=O)CCC(=O)[13CH3] 1458a_100000183558_200025704644 [0,1,0,0,0,0|0,0,1]=2 1868 B9R0.48 CCOC(=O)CCN(C)C 2230a_100000745921_200000210301 [0,1,0,0,0,0|1,0,1]=3 1869 B9R0.48 CCOC(=O)CCN(C)C 2230a_100102631434_100011206558 [0,1,0,0,0,0|1,0,1]=3 1870 B9R0.48 CCOC(=O)CCN(C)C 269982a_100000745921_200000210301 [0,1,0,0,0,0|1,0,1]=3 1871 B9R0.48 CCOC(=O)CCN(C)C 269982a_100102631434_100011206558 [0,1,0,0,0,0|1,0,1]=3 1872 B9R0.48 CCOC(=O)CCN(C)[13CH3] 2230a_100000745921_200025704644 [0,1,0,0,0,0|1,0,1]=3 1873 B9R0.48 CCOC(=O)CCN(C)[13CH3] 269982a_100000745921_200025704644 [0,1,0,0,0,0|1,0,1]=3 1874 B9R0.48 CCOC(=O)CNC(=O)C 188690a_100000741813_100015343762 [0,1,0,0,0,0|1,0,1]=3 1875 B9R0.48 CCOC(=O)CNC(C)C 2230a_100138425928_100000188475 [0,1,0,0,0,0|1,0,2]=4 1876 B9R0.48 CCOC(=O)CNC(C)C 34a_100138425928_100000188475 [0,1,0,0,0,0|1,0,2]=4 1877 B9R0.48 CCOC(=O)COC(C)C 34a_100000212225_100000188475 [0,1,0,0,0,0|1,0,2]=4 1878 B9R0.48 CCOC(=O)CSC(C)C 62a_100000188475_100000210206 [0,1,0,0,0,0|1,0,2]=4 1879 B9R0.48 CCOC(=O)CSC(C)C 62a_100000210206_100000188475 [0,1,0,0,0,0|1,0,2]=4 1880 B9R0.48 CCOC(=O)NCC(=O)C 1458a_100000190774_200000210301 [0,1,0,0,0,0|1,0,1]=3 1881 B9R0.48 CCOC(=O)NCC(=O)[13CH3] 1458a_100000190774_200025704644 [0,1,0,0,0,0|1,0,1]=3 1882 B9R0.48 CNNC(=O)CCC(=O)N 22a_100016993582_100011215257 [0,1,0,0,0,0|3,0,0]=4 1883 B9R0.48 NC(=O)CCC(=O)CCF 1458a_100011215257_100011217306 [0,1,0,0,0,0|3,0,0]=4 1884 B9R0.48 NC(=O)CCC(=O)CCO 1458a_100011215257_100000211926 [0,1,0,0,0,0|3,0,0]=4 1885 B9R0.66 C=CCNS(=O)(=O)CCC 270084a_100020586998_100000211391 [0,1,0,0,0,0|3,0,0]=4 1886 B9R0.66 C=CCNS(=O)(=O)CCC 274078a_100020586998_100000211391 [0,1,0,0,0,0|3,0,0]=4 1887 B9R0.66 C=CCNS(=O)(=O)CCC 40a_100020586998_100000054278 [0,1,0,0,0,0|3,0,0]=4 1888 B9R1.2 CCN1CCOC(=O)C1 2230a_100000131268_100000210202 [0,0,0,1,0,0|1,0,2]=4 1889 B9R1.2 CNC1CCNC(=O)C1 2230a_100016994916_200000210301 [0,0,0,1,0,0|2,0,1]=4 1890 B9R1.2 CNC1CCNC(=O)C1 34a_100016994916_200000210301 [0,0,0,1,0,0|2,0,1]=4 1891 B9R1.2 COC1CCCC(=O)C1 34a_100012613340_200000210301 [0,0,0,1,0,0|2,0,1]=4 1892 B9R1.2 CO[C@@H]1CCNC(=O)C1 34a_100015189427_200000210301 [0,0,0,1,0,0|2,0,1]=4 1893 B9R1.2 [13CH3]NC1CCNC(=O)C1 2230a_100016994916_200025704644 [0,0,0,1,0,0|2,0,1]=4 1894 B9R1.2 [13CH3]NC1CCNC(=O)C1 34a_100016994916_200025704644 [0,0,0,1,0,0|2,0,1]=4 1895 B9R1.2 [13CH3]OC1CCCC(=O)C1 34a_100012613340_200025704644 [0,0,0,1,0,0|2,0,1]=4 1896 B9R1.2 [13CH3]O[C@@H]1CCNC(=O)C1 34a_100015189427_200025704644 [0,0,0,1,0,0|2,0,1]=4 1897 B9R1.7 CCOC1CCC(=O)C1 34a_100012614533_100000210202 [0,0,0,1,0,0|2,0,1]=4 1898 B9R1.8 CCCN1CC=CCC1 2230a_100000698166_100000210303 [0,0,0,1,0,0|3,0,0]=4 1899 B9R1.8 CCCN1CC=CCC1 269982a_100000698166_100000210303 [0,0,0,1,0,0|3,0,0]=4 1900 B9R1.8 CCCN1CC=CCC1 34a_100000698166_100000210303 [0,0,0,1,0,0|3,0,0]=4 1901 B9R1.8 CCOC1C=CCCC1 34a_100011215024_100000210202 [0,0,0,1,0,0|1,0,2]=4 1902 B9R1.8 CCOC1CC=CCC1 34a_100000073881_100000210202 [0,0,0,1,0,0|1,0,1]=3 1903 B9R1.8 CCOc1ccccc1 34a_100000210340_100000210202 [0,0,0,1,0,0|1,0,2]=4 1904 B9R1.8 CCOc1ccccc1 7a_100000210340_100000210202 [0,0,0,1,0,0|1,0,2]=4 1905 B9R1.8 CCOc1cccnc1 34a_100000210849_100000210202 [0,0,0,1,0,0|2,0,1]=4 1906 B9R1.8 CCOc1cccnc1 7a_100000210849_100000210202 [0,0,0,1,0,0|2,0,1]=4 1907 B9R1.8 FCOC1CC=CCC1 34a_100000073881_100015361967 [0,0,0,1,0,0|2,0,1]=4 1908 B9R1.9 C=CCCN1CC(C1)C 2230a_100000702820_100000754431 [0,0,0,1,0,0|3,0,0]=4 1909 B9R1.9 C=CCCN1CC(C1)C 269982a_100000702820_100000754431 [0,0,0,1,0,0|3,0,0]=4 1910 B9R1.9 C=CCCN1CC(C1)C 34a_100000702820_100000754431 [0,0,0,1,0,0|3,0,0]=4 1911 B9R1.12 C=CCCN1CCCC1 2230a_100000188435_100000754431 [0,0,0,1,0,0|3,0,0]=4 1912 B9R1.12 C=CCCN1CCCC1 269982a_100000188435_100000754431 [0,0,0,1,0,0|3,0,0]=4 1913 B9R1.12 C=CCOC1CCCO1 34a_100000085407_100015514636 [0,0,0,1,0,0|2,0,1]=4 1914 B9R1.27 CNC1C(=O)CCC1=O 2230a_106832991635_100009820769 [0,0,0,1,0,0|3,0,0]=4 1915 B9R1.27 CNC1C(=O)CCC1=O 7a_106832991635_100009820769 [0,0,0,1,0,0|3,0,0]=4 1916 B9R1.27 CSC1C(=O)CCC1=O 62a_100009820769_200000210301 [0,0,0,1,0,0|3,0,0]=4 1917 B9R1.27 CSC1C(=O)CCC1=O 62a_200000210301_100009820769 [0,0,0,1,0,0|3,0,0]=4 1918 B9R1.27 [13CH3]SC1C(=O)CCC1=O 62a_100009820769_200025704644 [0,0,0,1,0,0|3,0,0]=4 1919 B9R1.27 [13CH3]SC1C(=O)CCC1=O 62a_200025704644_100009820769 [0,0,0,1,0,0|3,0,0]=4 1920 B9R1.33 CCNC1CCOC1=O 2230a_100015525214_100000211211 [0,0,0,1,0,0|1,0,2]=4 1921 B9R1.33 CCOC1CCOC1=O 34a_100121572206_100000211211 [0,0,0,1,0,0|1,0,2]=4 1922 B9R1.33 CCSC1CCOC1=O 62a_100000210202_100000211211 [0,0,0,1,0,0|1,0,2]=4 1923 B9R1.33 CCSC1CCOC1=O 62a_100000211211_100000210202 [0,0,0,1,0,0|1,0,2]=4 1924 B9R1.33 COCC1CCNC1=O 34a_100000133458_200000210301 [0,0,0,1,0,0|2,0,1]=4 1925 B9R1.33 O=C1OCCC1SCF 62a_100000211211_100015361967 [0,0,0,1,0,0|2,0,1]=4 1926 B9R1.33 O=C1OCCC1SCF 62a_100015361967_100000211211 [0,0,0,1,0,0|2,0,1]=4 1927 B9R1.33 [13CH3]OCC1CCNC1=O 34a_100000133458_200025704644 [0,0,0,1,0,0|2,0,1]=4 1928 B9R1.49 CN1CCNC(=O)CC1 2230a_100000698595_200000210301 [0,0,0,1,0,0|2,0,1]=4 1929 B9R1.49 CN1CCNC(=O)CC1 269982a_100000698595_200000210301 [0,0,0,1,0,0|2,0,1]=4 1930 B9R1.49 [13CH3]N1CCNC(=O)CC1 2230a_100000698595_200025704644 [0,0,0,1,0,0|2,0,1]=4 1931 B9R1.49 [13CH3]N1CCNC(=O)CC1 269982a_100000698595_200025704644 [0,0,0,1,0,0|2,0,1]=4 1932 B9R1.73 CCCC(=O)C1CCC1 1458a_100000209988_100000210303 [0,0,0,1,0,0|1,0,2]=4 1933 B9R1.73 CCCC(=O)C1CCC1 1458a_100000211992_100000749161 [0,0,0,1,0,0|1,0,2]=4 1934 B9R1.73 CCCC(=O)C1CCO1 1458a_100000089072_100000210303 [0,0,0,1,0,0|2,0,1]=4 1935 B9R1.73 CCCC(=O)C1COC1 1458a_100000211992_100000687716 [0,0,0,1,0,0|2,0,1]=4 1936 B9R1.73 CCCC(=O)C1COC1 1458a_100000758290_100000210303 [0,0,0,1,0,0|2,0,1]=4 1937 B9R1.73 CCNC(=O)C1CCC1 11a_100015525214_100000209988 [0,0,0,1,0,0|1,0,2]=4 1938 B9R1.73 CCNC(=O)C1CCC1 240690a_100015525214_100000209988 [0,0,0,1,0,0|1,0,2]=4 1939 B9R1.73 CCNC(=O)C1CCC1 527a_100015525214_100000209988 [0,0,0,1,0,0|1,0,2]=4 1940 B9R1.73 CCNC(=O)C1CCO1 11a_100015525214_100000089072 [0,0,0,1,0,0|2,0,1]=4 1941 B9R1.73 CCNC(=O)C1CCO1 240690a_100015525214_100000089072 [0,0,0,1,0,0|2,0,1]=4 1942 B9R1.73 CCNC(=O)C1CCO1 527a_100015525214_100000089072 [0,0,0,1,0,0|2,0,1]=4 1943 B9R1.73 CCNC(=O)C1COC1 11a_100015525214_100000758290 [0,0,0,1,0,0|2,0,1]=4 1944 B9R1.73 CCNC(=O)C1COC1 240690a_100015525214_100000758290 [0,0,0,1,0,0|2,0,1]=4 1945 B9R1.73 CCNC(=O)C1COC1 527a_100015525214_100000758290 [0,0,0,1,0,0|2,0,1]=4 1946 B9R1.75 CCCC(=O)CC1CC1 1458a_100000211992_100000742324 [0,0,0,1,0,0|1,0,2]=4 1947 B9R1.75 CCCC(=O)CC1CC1 1458a_100000738066_100000210303 [0,0,0,1,0,0|1,0,2]=4 1948 B9R1.75 CCCC(=O)CC1CO1 1458a_100000211992_100011216344 [0,0,0,1,0,0|2,0,1]=4 1949 B9R1.75 CCCC(=O)CC1CS1 1458a_100000211992_100000031435 [0,0,0,1,0,0|2,0,1]=4 1950 B9R1.75 CCCC(=O)C[C@@H]1CO1 1458a_100000211992_100000745022 [0,0,0,1,0,0|2,0,1]=4 1951 B9R1.75 CCNC(=O)CC1CC1 11a_100015525214_100000738066 [0,0,0,1,0,0|1,0,2]=4 1952 B9R1.75 CCNC(=O)CC1CC1 240690a_100015525214_100000738066 [0,0,0,1,0,0|1,0,2]=4 1953 B9R1.75 CCNC(=O)CC1CC1 527a_100015525214_100000738066 [0,0,0,1,0,0|1,0,2]=4 1954 B9R1.100 C#CCCC(=O)C1CC1 1458a_100000210395_100000753159 [0,0,0,1,0,0|1,0,2]=4 1955 B9R1.100 C/C=C/CC(=O)C1CC1 1458a_100000210395_100102629194 [0,0,0,1,0,0|1,0,2]=4 1956 B9R1.100 C=CCCC(=O)C1CC1 1458a_100000210395_100000754431 [0,0,0,1,0,0|1,0,0]=2 1957 B9R1.100 C=CCCC(=O)C1CO1 1458a_100000701028_100000754431 [0,0,0,1,0,0|2,0,0]=3 1958 B9R1.100 C=CCCN(C)C1CC1 2230a_100000226674_100000754431 [0,0,0,1,0,0|3,0,0]=4 1959 B9R1.100 C=CCCN(C)C1CC1 269982a_100000226674_100000754431 [0,0,0,1,0,0|3,0,0]=4 1960 B9R1.100 C=CCCN(C)C1CC1 269982a_100020639649_100000211595 [0,0,0,1,0,0|3,0,0]=4 1961 B9R1.100 C=CCNC(=O)C1CC1 1626a_100020586998_100000210395 [0,0,0,1,0,0|2,0,0]=3 1962 B9R1.100 C=CCNC(=O)C1CC1 240690a_100020586998_100000210395 [0,0,0,1,0,0|2,0,0]=3 1963 B9R1.100 C=CCNC(=O)C1CC1 527a_100020586998_100000210395 [0,0,0,1,0,0|2,0,0]=3 1964 B9R1.100 C=CCNC(=O)C1CO1 1626a_100020586998_100000701028 [0,0,0,1,0,0|3,0,0]=4 1965 B9R1.100 C=CCNC(=O)C1CO1 240690a_100020586998_100000701028 [0,0,0,1,0,0|3,0,0]=4 1966 B9R1.100 C=CCNC(=O)C1CO1 527a_100020586998_100000701028 [0,0,0,1,0,0|3,0,0]=4 1967 B9R1.100 CC=CCC(=O)C1CC1 1458a_100000210395_100000070051 [0,0,0,1,0,0|1,0,2]=4 1968 B9R1.100 CCCCC(=O)C1CC1 1458a_100000210395_100000210211 [0,0,0,1,0,0|1,0,2]=4 1969 B9R1.100 COCCC(=O)C1CC1 1458a_100000210395_100000233755 [0,0,0,1,0,0|2,0,1]=4 1970 B9R1.100 CSCCC(=O)C1CC1 1458a_100000210395_100000751147 [0,0,0,1,0,0|2,0,1]=4 1971 B9R1.100 N#CCCC(=O)C1CC1 1458a_100000210395_100011215226 [0,0,0,1,0,0|2,0,1]=4 1972 B9R1.100 O=C(CCCF)C1CC1 1458a_100000210395_100011934791 [0,0,0,1,0,0|2,0,1]=4 1973 B9R1.100 O=C(CCCO)C1CC1 1458a_100000210395_100011215043 [0,0,0,1,0,0|2,0,1]=4 1974 B9R1.183 CCCC(=O)C1CC1C 1458a_100000211227_100000210303 [0,0,0,1,0,0|1,0,2]=4 1975 B9R1.183 CCCC(=O)[C@@H]1C[C@@H]1F 1458a_100015396687_100000210303 [0,0,0,1,0,0|2,0,1]=4 1976 B9R1.183 CCNC(=O)C1CC1C 11a_100015525214_100000211227 [0,0,0,1,0,0|1,0,2]=4 1977 B9R1.183 CCNC(=O)C1CC1C 527a_100015525214_100000211227 [0,0,0,1,0,0|1,0,2]=4 1978 B9R1.183 CCNC(=O)[C@@H]1C[C@@H]1F 11a_100015525214_100015396687 [0,0,0,1,0,0|2,0,1]=4 1979 B9R1.183 CCNC(=O)[C@@H]1C[C@@H]1F 240690a_100015525214_100015396687 [0,0,0,1,0,0|2,0,1]=4 1980 B9R1.183 CCNC(=O)[C@@H]1C[C@@H]1F 527a_100015525214_100015396687 [0,0,0,1,0,0|2,0,1]=4 1981 B6R0.6 C#CCCOCC 34a_100011215631_100000210202 [2,0,0,0,0,0|0,0,2]=4 1982 B6R0.6 C#CCCOCC 34a_100121572206_100000688953 [2,0,0,0,0,0|0,0,2]=4 1983 B6R0.6 C/C=C/COCC 34a_100016270725_100000210202 [2,0,0,0,0,0|0,0,2]=4 1984 B6R0.6 C/C=C/COCC 34a_100121572206_100102629194 [2,0,0,0,0,0|0,0,2]=4 1985 B6R0.6 C=CCCCNC 2230a_100000700776_200000210301 [2,0,0,0,0,0|1,0,1]=4 1986 B6R0.6 C=CCCCNC 2230a_106832991635_100011713584 [2,0,0,0,0,0|1,0,1]=4 1987 B6R0.6 C=CCCCNC 34a_100000700776_200000210301 [2,0,0,0,0,0|1,0,1]=4 1988 B6R0.6 C=CCCCNC 34a_100102657272_100000757094 [2,0,0,0,0,0|1,0,1]=4 1989 B6R0.6 C=CCCCNC 7a_106832991635_100000757094 [2,0,0,0,0,0|1,0,1]=4 1990 B6R0.6 C=CCCCN[13CH3] 2230a_100000700776_200025704644 [2,0,0,0,0,0|1,0,1]=4 1991 B6R0.6 C=CCCCN[13CH3] 34a_100000700776_200025704644 [2,0,0,0,0,0|1,0,1]=4 1992 B6R0.6 C=CCCCOC 34a_100000758997_200000210301 [2,0,0,0,0,0|0,0,1]=3 1993 B6R0.6 C=CCCCOC 34a_100138415774_100000757094 [2,0,0,0,0,0|0,0,1]=3 1994 B6R0.6 C=CCCCOC 7a_100000758997_200000210301 [2,0,0,0,0,0|0,0,1]=3 1995 B6R0.6 C=CCCCO[13CH3] 34a_100000758997_200025704644 [2,0,0,0,0,0|0,0,1]=3 1996 B6R0.6 C=CCCCO[13CH3] 7a_100000758997_200025704644 [2,0,0,0,0,0|0,0,1]=3 1997 B6R0.6 C=CCCCSC 62a_100011713584_200000210301 [2,0,0,0,0,0|0,1,1]=4 1998 B6R0.6 C=CCCCSC 62a_200000210301_100000757094 [2,0,0,0,0,0|0,1,1]=4 1999 B6R0.6 C=CCCCS[13CH3] 62a_100011713584_200025704644 [2,0,0,0,0,0|0,1,1]=4 2000 B6R0.6 C=CCCCS[13CH3] 62a_200025704644_100000757094 [2,0,0,0,0,0|0,1,1]=4 2001 B6R0.6 C=CCCNCC 2230a_100015191253_100000210202 [2,0,0,0,0,0|1,0,0]=3 2002 B6R0.6 C=CCCNCC 2230a_100015525214_100000754431 [2,0,0,0,0,0|1,0,0]=3 2003 B6R0.6 C=CCCOCC 34a_100011205117_100000210202 [2,0,0,0,0,0|0,0,0]=2 2004 B6R0.6 C=CCCOCC 34a_100121572206_100000754431 [2,0,0,0,0,0|0,0,0]=2 2005 B6R0.6 C=CCCOCF 34a_100011205117_100015361967 [2,0,0,0,0,0|1,0,0]=3 2006 B6R0.6 C=CCCSCC 62a_100000210202_100000754431 [2,0,0,0,0,0|0,1,0]=3 2007 B6R0.6 C=CCCSCC 62a_100000754431_100000210202 [2,0,0,0,0,0|0,1,0]=3 2008 B6R0.6 C=CCCSCF 62a_100000754431_100015361967 [2,0,0,0,0,0|1,1,0]=4 2009 B6R0.6 C=CCCSCF 62a_100015361967_100000754431 [2,0,0,0,0,0|1,1,0]=4 2010 B6R0.6 C=CCNCCC 2230a_100020586998_100000210303 [2,0,0,0,0,0|1,0,1]=4 2011 B6R0.6 C=CCNCOC 2230a_100020586998_100000766300 [2,0,0,0,0,0|1,0,1]=4 2012 B6R0.6 C=CCOCCC 34a_100000210258_100015514636 [2,0,0,0,0,0|1,0,1]=4 2013 B6R0.6 C=CCOCCC 34a_200000210373_100000210303 [2,0,0,0,0,0|1,0,1]=4 2014 B6R0.6 C=CCSCCC 62a_100000210303_100000210623 [2,0,0,0,0,0|1,0,1]=4 2015 B6R0.6 C=CCSCCC 62a_100000210623_100000210303 [2,0,0,0,0,0|1,0,1]=4 2016 B6R0.6 C=CCSCOC 62a_100000210623_100000766300 [2,0,0,0,0,0|1,0,1]=4 2017 B6R0.6 C=CCSCOC 62a_100000766300_100000210623 [2,0,0,0,0,0|1,0,1]=4 2018 B6R0.6 C=COCCOC 34a_100000033082_200000210301 [2,0,0,0,0,0|1,0,1]=4 2019 B6R0.6 C=COCCOC 34a_100138415774_100000039644 [2,0,0,0,0,0|1,0,1]=4 2020 B6R0.6 C=COCCO[13CH3] 34a_100000033082_200025704644 [2,0,0,0,0,0|1,0,1]=4 2021 B6R0.6 CC=CCOCC 34a_100121572206_100000070051 [2,0,0,0,0,0|0,0,2]=4 2022 B6R0.6 CCCCOCC 34a_100000210227_100000210202 [2,0,0,0,0,0|0,0,2]=4 2023 B6R0.6 CCCCOCC 34a_100121572206_100000210210 [2,0,0,0,0,0|0,0,2]=4 2024 B6R0.6 CCCCOCC 7a_100000210227_100000210202 [2,0,0,0,0,0|0,0,2]=4 2025 B6R0.6 CCOCCCBr 34a_100011217188_100000210202 [2,0,0,0,0,0|1,0,1]=4 2026 B6R0.6 CCOCCCCl 34a_100000230001_100000210202 [2,0,0,0,0,0|1,0,1]=4 2027 B6R0.6 CCOCCCF 34a_100000759539_100000210202 [2,0,0,0,0,0|1,0,1]=4 2028 B6R0.6 CCOCCCF 34a_100121572206_100011934791 [2,0,0,0,0,0|1,0,1]=4 2029 B6R0.6 CCOCCCN 34a_100000182051_100000210202 [2,0,0,0,0,0|1,0,1]=4 2030 B6R0.6 CCOCCCO 34a_100121572206_100000230001 [2,0,0,0,0,0|1,0,1]=4 2031 B6R0.6 CCOCCNC 2230a_102516460346_200000210301 [2,0,0,0,0,0|1,0,1]=4 2032 B6R0.6 CCOCCNC 2230a_106832991635_100011215890 [2,0,0,0,0,0|1,0,1]=4 2033 B6R0.6 CCOCCNC 34a_100102657272_100000210147 [2,0,0,0,0,0|1,0,1]=4 2034 B6R0.6 CCOCCNC 34a_102516460346_200000210301 [2,0,0,0,0,0|1,0,1]=4 2035 B6R0.6 CCOCCNC 7a_106832991635_100011215890 [2,0,0,0,0,0|1,0,1]=4 2036 B6R0.6 CCOCCN[13CH3] 2230a_102516460346_200025704644 [2,0,0,0,0,0|1,0,1]=4 2037 B6R0.6 CCOCCN[13CH3] 34a_102516460346_200025704644 [2,0,0,0,0,0|1,0,1]=4 2038 B6R0.6 CCOCCOC 34a_100000210136_200000210301 [2,0,0,0,0,0|1,0,1]=4 2039 B6R0.6 CCOCCOC 34a_100000210237_100000210202 [2,0,0,0,0,0|1,0,1]=4 2040 B6R0.6 CCOCCOC 34a_100121572206_100011201679 [2,0,0,0,0,0|1,0,1]=4 2041 B6R0.6 CCOCCOC 34a_100138415774_100000210147 [2,0,0,0,0,0|1,0,1]=4 2042 B6R0.6 CCOCCOC 7a_100000210136_200000210301 [2,0,0,0,0,0|1,0,1]=4 2043 B6R0.6 CCOCCON 34a_100000700252_100000210202 [2,0,0,0,0,0|2,0,0]=4 2044 B6R0.6 CCOCCO[13CH3] 34a_100000210136_200025704644 [2,0,0,0,0,0|1,0,1]=4 2045 B6R0.6 CCOCCO[13CH3] 7a_100000210136_200025704644 [2,0,0,0,0,0|1,0,1]=4 2046 B6R0.6 CCOCCSC 34a_100000230434_100000210202 [2,0,0,0,0,0|1,0,1]=4 2047 B6R0.6 CCOCCSC 34a_100121572206_100000212216 [2,0,0,0,0,0|1,0,1]=4 2048 B6R0.6 CCOCCSC 62a_100000210147_200000210301 [2,0,0,0,0,0|1,0,1]=4 2049 B6R0.6 CCOCCSC 62a_200000210301_100011215890 [2,0,0,0,0,0|1,0,1]=4 2050 B6R0.6 CCOCCSC 7a_100000230434_100000210202 [2,0,0,0,0,0|1,0,1]=4 2051 B6R0.6 CCOCCS[13CH3] 62a_100000210147_200025704644 [2,0,0,0,0,0|1,0,1]=4 2052 B6R0.6 CCOCCS[13CH3] 62a_200025704644_100011215890 [2,0,0,0,0,0|1,0,1]=4 2053 B6R0.1 C#CC(=O)CC=C 1458a_100000211873_100000210623 [2,0,0,0,0,0|0,0,2]=4 2054 B6R0.1 C#CCC(=O)CC 1458a_100000210414_100000184674 [2,0,0,0,0,0|0,0,2]=4 2055 B6R0.1 C#CCC(=O)CC 1458a_100011220946_100000210202 [2,0,0,0,0,0|0,0,2]=4 2056 B6R0.1 C=CC(=O)CCC 1458a_100000185746_100000210303 [2,0,0,0,0,0|1,0,0]=3 2057 B6R0.1 C=CC(=O)CCF 1458a_100000185746_100011217306 [2,0,0,0,0,0|2,0,0]=4 2058 B6R0.1 C=CC(=O)CCO 1458a_100000185746_100000211926 [2,0,0,0,0,0|2,0,0]=4 2059 B6R0.1 C=CC(=O)NCC 240690a_100015525214_200121576911 [2,0,0,0,0,0|1,0,0]=3 2060 B6R0.1 C=CC(=O)NNC 22a_100016993582_100000185746 [2,0,0,0,0,0|2,0,0]=4 2061 B6R0.1 C=CC(C)OCC 34a_100000695699_100000210202 [2,0,0,0,0,0|1,0,1]=4 2062 B6R0.1 C=CCC(=O)C=C 1458a_100000185746_100000210623 [2,0,0,0,0,0|0,0,2]=4 2063 B6R0.1 C=CCC(=O)CC 1458a_100000210193_100000210202 [2,0,0,0,0,0|0,0,0]=2 2064 B6R0.1 C=CCC(=O)CC 1458a_100000210414_100000210623 [2,0,0,0,0,0|0,0,0]=2 2065 B6R0.1 C=CCC(=O)CF 1458a_100000210193_100015361967 [2,0,0,0,0,0|1,0,0]=3 2066 B6R0.1 C=CCC(=O)CO 1458a_100000210174_100000210623 [2,0,0,0,0,0|1,0,0]=3 2067 B6R0.1 C=CCC(=O)NC 11a_106832991635_100000210193 [2,0,0,0,0,0|1,0,0]=3 2068 B6R0.1 C=CCC(=O)NC 1626a_100102657272_100000210193 [2,0,0,0,0,0|1,0,0]=3 2069 B6R0.1 C=CCC(=O)NC 240690a_100102657272_100000210193 [2,0,0,0,0,0|1,0,0]=3 2070 B6R0.1 C=CCC(=O)NC 527a_100102657272_100000210193 [2,0,0,0,0,0|1,0,0]=3 2071 B6R0.1 C=CCN(C)CC 2230a_100000225617_100000210202 [2,0,0,0,0,0|2,0,0]=4 2072 B6R0.1 C=CCN(C)CC 2230a_100000225621_100000210623 [2,0,0,0,0,0|2,0,0]=4 2073 B6R0.1 C=CCN(C)CC 269982a_100000225617_100000204670 [2,0,0,0,0,0|2,0,0]=4 2074 B6R0.1 C=CCN(C)CC 269982a_100000225621_100000210623 [2,0,0,0,0,0|2,0,0]=4 2075 B6R0.1 C=CC[C@@H](C)OC 34a_100000731007_200000210301 [2,0,0,0,0,0|1,0,1]=4 2076 B6R0.1 C=CC[C@@H](C)OC 7a_100000731007_200000210301 [2,0,0,0,0,0|1,0,1]=4 2077 B6R0.1 C=CC[C@@H](C)O[13CH3] 34a_100000731007_200025704644 [2,0,0,0,0,0|1,0,1]=4 2078 B6R0.1 C=CC[C@@H](C)O[13CH3] 7a_100000731007_200025704644 [2,0,0,0,0,0|1,0,1]=4 2079 B6R0.1 CC#CC(=O)CC 1458a_100000763181_100000210202 [2,0,0,0,0,0|1,0,1]=4 2080 B6R0.1 CC=CC(=O)CC 1458a_100000210699_100000210202 [2,0,0,0,0,0|0,0,2]=4 2081 B6R0.1 CCC(=O)C=CBr 1458a_100016273825_100000210202 [2,0,0,0,0,0|1,0,1]=4 2082 B6R0.1 CCC(=O)C=CCl 1458a_200016279998_100000210202 [2,0,0,0,0,0|1,0,1]=4 2083 B6R0.1 CCC(=O)C=CI 1458a_100016256311_100000210202 [2,0,0,0,0,0|1,0,1]=4 2084 B6R0.1 CCC(=O)CC#N 1458a_100000210414_100011214920 [2,0,0,0,0,0|1,0,1]=4 2085 B6R0.1 CCC(=O)CC#N 1458a_100051588842_100000210202 [2,0,0,0,0,0|1,0,1]=4 2086 B6R0.1 CCC(=O)CCF 1458a_100000210414_100011217306 [2,0,0,0,0,0|1,0,0]=3 2087 B6R0.1 CCC(=O)CCO 1458a_100000210414_100000211926 [2,0,0,0,0,0|1,0,0]=3 2088 B6R0.1 CCC(=O)CCO 1458a_100011216618_100000210202 [2,0,0,0,0,0|1,0,0]=3 2089 B6R0.1 CCC(=O)CNC 7a_106832991635_100000747405 [2,0,0,0,0,0|1,0,1]=4 2090 B6R0.1 CCC(=O)COC 1458a_100000210968_100000210202 [2,0,0,0,0,0|1,0,1]=4 2091 B6R0.1 CCC(=O)COC 34a_100000725409_200000210301 [2,0,0,0,0,0|1,0,1]=4 2092 B6R0.1 CCC(=O)CO[13CH3] 34a_100000725409_200025704644 [2,0,0,0,0,0|1,0,1]=4 2093 B6R0.1 CCC(=O)CSC 1458a_100000184570_100000210202 [2,0,0,0,0,0|1,0,1]=4 2094 B6R0.1 CCC(=O)CSC 62a_100000747405_200000210301 [2,0,0,0,0,0|1,0,1]=4 2095 B6R0.1 CCC(=O)CSC 62a_200000210301_100000747405 [2,0,0,0,0,0|1,0,1]=4 2096 B6R0.1 CCC(=O)CS[13CH3] 62a_100000747405_200025704644 [2,0,0,0,0,0|1,0,1]=4 2097 B6R0.1 CCC(=O)CS[13CH3] 62a_200025704644_100000747405 [2,0,0,0,0,0|1,0,1]=4 2098 B6R0.1 CCC(=O)NNC 22a_100016993582_100000210414 [2,0,0,0,0,0|2,0,0]=4 2099 B6R0.1 CCCC(=O)CC 1458a_100000210414_100000210303 [2,0,0,0,0,0|0,0,1]=3 2100 B6R0.1 CCCC(=O)CC 1458a_100000211992_100000210202 [2,0,0,0,0,0|0,0,1]=3 2101 B6R0.1 CCCC(=O)CF 1458a_100000211992_100015361967 [2,0,0,0,0,0|1,0,1]=4 2102 B6R0.1 CCCC(=O)CO 1458a_100000210174_100000210303 [2,0,0,0,0,0|1,0,1]=4 2103 B6R0.1 CCCC(=O)NC 11a_106832991635_100000211992 [2,0,0,0,0,0|1,0,1]=4 2104 B6R0.1 CCCC(=O)NC 1626a_100102657272_100000211992 [2,0,0,0,0,0|1,0,1]=4 2105 B6R0.1 CCCC(=O)NC 240690a_100102657272_100000211992 [2,0,0,0,0,0|1,0,1]=4 2106 B6R0.1 CCCC(=O)NC 527a_100102657272_100000211992 [2,0,0,0,0,0|1,0,1]=4 2107 B6R0.1 CCNC(=O)CC 11a_100015525214_100000210414 [2,0,0,0,0,0|1,0,0]=3 2108 B6R0.1 CCNC(=O)CC 240690a_100015525214_100000210414 [2,0,0,0,0,0|1,0,0]=3 2109 B6R0.1 CCNC(=O)CC 527a_100015525214_100000210414 [2,0,0,0,0,0|1,0,0]=3 2110 B6R0.1 CCNC(=O)CO 240690a_100015525214_100000210174 [2,0,0,0,0,0|2,0,0]=4 2111 B6R0.1 CCNC(=O)CO 527a_100015525214_100000210174 [2,0,0,0,0,0|2,0,0]=4 2112 B6R0.1 CCNC(=O)NC 2708a_100015525214_106832991635 [2,0,0,0,0,0|2,0,0]=4 2113 B6R0.1 CCNC(=O)NC 2708a_100102657272_100015525214 [2,0,0,0,0,0|2,0,0]=4 2114 B6R0.1 CCNC(=O)NC 273464a_100015525214_100102657272 [2,0,0,0,0,0|2,0,0]=4 2115 B6R0.1 CCNC(=O)NC 273464a_100102657272_100015525214 [2,0,0,0,0,0|2,0,0]=4 2116 B6R0.1 CCNC(=O)NC 512a_100015525214_100102657272 [2,0,0,0,0,0|2,0,0]=4 2117 B6R0.1 CCNC(=O)NC 512a_106832991638_100015525214 [2,0,0,0,0,0|2,0,0]=4 2118 B6R0.1 CCOC(C)CC 34a_100121572206_100011215416 [2,0,0,0,0,0|1,0,1]=4 2119 B6R0.1 CCOC(C)CC 7a_100000210228_100000210202 [2,0,0,0,0,0|1,0,1]=4 2120 B6R0.1 CNC(=O)CCO 240690a_100102657272_100011216618 [2,0,0,0,0,0|2,0,0]=4 2121 B6R0.1 CNCC(=O)OC 2230a_106832991635_100000747449 [2,0,0,0,0,0|1,0,1]=4 2122 B6R0.1 CNCC(=O)OC 34a_100102657272_100000747449 [2,0,0,0,0,0|1,0,1]=4 2123 B6R0.1 CNCC(=O)OC 7a_106832991635_100000747449 [2,0,0,0,0,0|1,0,1]=4 2124 B6R0.1 COC(=O)CSC 62a_100000747449_200000210301 [2,0,0,0,0,0|1,0,1]=4 2125 B6R0.1 COC(=O)CSC 62a_200000210301_100000747449 [2,0,0,0,0,0|1,0,1]=4 2126 B6R0.1 COC(=O)CS[13CH3] 62a_100000747449_200025704644 [2,0,0,0,0,0|1,0,1]=4 2127 B6R0.1 COC(=O)CS[13CH3] 62a_200025704644_100000747449 [2,0,0,0,0,0|1,0,1]=4 2128 B6R0.1 COCC(=O)OC 34a_100138415774_100000747449 [2,0,0,0,0,0|1,0,1]=4 2129 B6R0.1 O=C(CF)CCO 1458a_100011216618_100015361967 [2,0,0,0,0,0|2,0,0]=4 2130 B6R0.1 O=C(CO)CCF 1458a_100000210174_100011217306 [2,0,0,0,0,0|2,0,0]=4 2131 B6R0.1 O=C(CO)CCO 1458a_100000210174_100000211926 [2,0,0,0,0,0|2,0,0]=4 2132 B6R0.4 C#CCCC(=O)C 1458a_100000070787_100000753159 [2,0,0,0,0,0|0,0,2]=4 2133 B6R0.4 C#CCCC(=O)C 1458a_100000692101_200000210301 [2,0,0,0,0,0|0,0,2]=4 2134 B6R0.4 C#CCCC(=O)[13CH3] 1458a_100000692101_200025704644 [2,0,0,0,0,0|0,0,2]=4 2135 B6R0.4 C/C=C/CC(=O)C 1458a_100000070787_100102629194 [2,0,0,0,0,0|0,0,2]=4 2136 B6R0.4 C=CC=CC(=O)C 1458a_100016291481_200000210301 [2,0,0,0,0,0|0,0,2]=4 2137 B6R0.4 C=CC=CC(=O)[13CH3] 1458a_100016291481_200025704644 [2,0,0,0,0,0|0,0,2]=4 2138 B6R0.4 C=CCCC(=O)C 1458a_100000070787_100000754431 [2,0,0,0,0,0|0,0,0]=2 2139 B6R0.4 C=CCCC(=O)C 1458a_100000749702_200000210301 [2,0,0,0,0,0|0,0,0]=2 2140 B6R0.4 C=CCCC(=O)[13CH3] 1458a_100000749702_200025704644 [2,0,0,0,0,0|0,0,0]=2 2141 B6R0.4 C=CCCN(C)C 2230a_100020639649_200000210301 [2,0,0,0,0,0|2,0,0]=4 2142 B6R0.4 C=CCCN(C)C 2230a_100102631434_100000754431 [2,0,0,0,0,0|2,0,0]=4 2143 B6R0.4 C=CCCN(C)C 269982a_100020639649_200000210301 [2,0,0,0,0,0|2,0,0]=4 2144 B6R0.4 C=CCCN(C)C 269982a_100102631434_100000754431 [2,0,0,0,0,0|2,0,0]=4 2145 B6R0.4 C=CCCN(C)[13CH3] 2230a_100020639649_200025704644 [2,0,0,0,0,0|2,0,0]=4 2146 B6R0.4 C=CCCN(C)[13CH3] 269982a_100020639649_200025704644 [2,0,0,0,0,0|2,0,0]=4 2147 B6R0.4 C=CCNC(=O)C 1626a_100020586998_100015343762 [2,0,0,0,0,0|1,0,0]=3 2148 B6R0.4 C=CCNC(=O)C 240690a_100020586998_100015343762 [2,0,0,0,0,0|1,0,0]=3 2149 B6R0.4 C=CCNC(=O)C 527a_100020586998_100103153847 [2,0,0,0,0,0|1,0,0]=3 2150 B6R0.4 CC(=O)CCC#N 1458a_100000070787_100011215226 [2,0,0,0,0,0|1,0,1]=4 2151 B6R0.4 CC(=O)CCC#N 1458a_100011934036_200000210301 [2,0,0,0,0,0|1,0,1]=4 2152 B6R0.4 CC(=O)CCCF 1458a_100000070787_100011934791 [2,0,0,0,0,0|1,0,1]=4 2153 B6R0.4 CC(=O)CCCO 1458a_100000070787_100011215043 [2,0,0,0,0,0|1,0,1]=4 2154 B6R0.4 CC(=O)CCO[13CH3] 34a_100000759926_200025704644 [2,0,0,0,0,0|1,0,1]=4 2155 B6R0.4 CC(=O)CCO[13CH3] 7a_100000759926_200025704644 [2,0,0,0,0,0|1,0,1]=4 2156 B6R0.4 CC(=O)CCS[13CH3] 62a_100000053229_200025704644 [2,0,0,0,0,0|1,0,1]=4 2157 B6R0.4 CC(=O)CCS[13CH3] 62a_200025704644_100000053229 [2,0,0,0,0,0|1,0,1]=4 2158 B6R0.4 CC=CCC(=O)C 1458a_100000070787_100000070051 [2,0,0,0,0,0|0,0,2]=4 2159 B6R0.4 CC=CCC(=O)C 1458a_100121576822_200000210301 [2,0,0,0,0,0|0,0,2]=4 2160 B6R0.4 CC=CCC(=O)[13CH3] 1458a_100121576822_200025704644 [2,0,0,0,0,0|0,0,2]=4 2161 B6R0.4 CCCCC(=O)C 1458a_100000070787_100000210211 [2,0,0,0,0,0|0,0,2]=4 2162 B6R0.4 CCCCC(=O)C 1458a_100000210183_200000210301 [2,0,0,0,0,0|0,0,2]=4 2163 B6R0.4 CCCCC(=O)[13CH3] 1458a_100000210183_200025704644 [2,0,0,0,0,0|0,0,2]=4 2164 B6R0.4 CNCCC(=O)C 7a_106832991635_100000053229 [2,0,0,0,0,0|1,0,1]=4 2165 B6R0.4 COCCC(=O)C 1458a_100000070787_100000233755 [2,0,0,0,0,0|1,0,1]=4 2166 B6R0.4 COCCC(=O)C 1458a_100000749529_200000210301 [2,0,0,0,0,0|1,0,1]=4 2167 B6R0.4 COCCC(=O)C 34a_100000759926_200000210301 [2,0,0,0,0,0|1,0,1]=4 2168 B6R0.4 COCCC(=O)C 7a_100000759926_200000210301 [2,0,0,0,0,0|1,0,1]=4 2169 B6R0.4 COCCC(=O)[13CH3] 1458a_100000749529_200025704644 [2,0,0,0,0,0|1,0,1]=4 2170 B6R0.4 CSCCC(=O)C 1458a_100000070787_100000751147 [2,0,0,0,0,0|1,0,1]=4 2171 B6R0.4 CSCCC(=O)C 1458a_100000174002_200000210301 [2,0,0,0,0,0|1,0,1]=4 2172 B6R0.4 CSCCC(=O)C 62a_100000053229_200000210301 [2,0,0,0,0,0|1,0,1]=4 2173 B6R0.4 CSCCC(=O)C 62a_200000210301_100000053229 [2,0,0,0,0,0|1,0,1]=4 2174 B6R0.4 CSCCC(=O)[13CH3] 1458a_100000174002_200025704644 [2,0,0,0,0,0|1,0,1]=4 2175 B6R0.4 [13CH3]C(=O)CCC#N 1458a_100011934036_200025704644 [2,0,0,0,0,0|1,0,1]=4 2176 B8R0.4 C#CCOCCCC=C 34a_100000210247_100000757094 [1,1,0,0,0,0|0,0,2]=4 2177 B8R0.4 C#CCOCCCC=C 34a_100000758997_100000184674 [1,1,0,0,0,0|0,0,2]=4 2178 B8R0.4 C#CCOCCCC=C 7a_100000758997_100000038162 [1,1,0,0,0,0|0,0,2]=4 2179 B8R0.4 C/C=C/CCOCCC 34a_100016278192_100000210303 [1,1,0,0,0,0|2,0,0]=4 2180 B8R0.4 C/C=C/CSCOCC 62a_100000739092_100102629194 [1,1,0,0,0,0|1,0,1]=4 2181 B8R0.4 C/C=C/CSCOCC 62a_100102629194_100000739092 [1,1,0,0,0,0|1,0,1]=4 2182 B8R0.4 C=CCCC=NNCC 4a_100000756455_100011216789 [1,1,0,0,0,0|1,0,0]=3 2183 B8R0.4 C=CCCCCCNC 2230a_106832991635_100000700193 [1,1,0,0,0,0|1,0,1]=4 2184 B8R0.4 C=CCCCCCNC 34a_100102657272_100000700193 [1,1,0,0,0,0|1,0,1]=4 2185 B8R0.4 C=CCCCCCNC 7a_106832991635_100000700193 [1,1,0,0,0,0|1,0,1]=4 2186 B8R0.4 C=CCCCCCOC 34a_100011216702_200000210301 [1,1,0,0,0,0|1,0,1]=4 2187 B8R0.4 C=CCCCCCOC 34a_100138415774_100000700193 [1,1,0,0,0,0|1,0,1]=4 2188 B8R0.4 C=CCCCCCOC 7a_100011216702_200000210301 [1,1,0,0,0,0|1,0,1]=4 2189 B8R0.4 C=CCCCCCO[13CH3] 34a_100011216702_200025704644 [1,1,0,0,0,0|1,0,1]=4 2190 B8R0.4 C=CCCCCCO[13CH3] 7a_100011216702_200025704644 [1,1,0,0,0,0|1,0,1]=4 2191 B8R0.4 C=CCCCCCSC 62a_100000700193_200000210301 [1,1,0,0,0,0|1,0,1]=4 2192 B8R0.4 C=CCCCCCSC 62a_200000210301_100000700193 [1,1,0,0,0,0|1,0,1]=4 2193 B8R0.4 C=CCCCCCS[13CH3] 62a_100000700193_200025704644 [1,1,0,0,0,0|1,0,1]=4 2194 B8R0.4 C=CCCCCCS[13CH3] 62a_200025704644_100000700193 [1,1,0,0,0,0|1,0,1]=4 2195 B8R0.4 C=CCCCCNCC 2230a_100000703577_100000210202 [1,1,0,0,0,0|1,0,1]=4 2196 B8R0.4 C=CCCCCNCC 2230a_100015525214_100011215482 [1,1,0,0,0,0|1,0,1]=4 2197 B8R0.4 C=CCCCCNCC 34a_100000703577_100000210202 [1,1,0,0,0,0|1,0,1]=4 2198 B8R0.4 C=CCCCCOCC 34a_100000766645_100000210202 [1,1,0,0,0,0|0,0,1]=3 2199 B8R0.4 C=CCCCCOCC 34a_100121572206_100011215482 [1,1,0,0,0,0|0,0,1]=3 2200 B8R0.4 C=CCCCCOCC 7a_100000766645_100000210202 [1,1,0,0,0,0|0,0,1]=3 2201 B8R0.4 C=CCCCCOCF 34a_100000766645_100015361967 [1,1,0,0,0,0|1,0,1]=4 2202 B8R0.4 C=CCCCCOCF 7a_100000766645_100015361967 [1,1,0,0,0,0|1,0,1]=4 2203 B8R0.4 C=CCCCCSCC 62a_100000210202_100011215482 [1,1,0,0,0,0|0,1,1]=4 2204 B8R0.4 C=CCCCCSCC 62a_100011215482_100000210202 [1,1,0,0,0,0|0,1,1]=4 2205 B8R0.4 C=CCCCNCCC 2230a_100000700776_100000210303 [1,1,0,0,0,0|1,0,1]=4 2206 B8R0.4 C=CCCCNCCC 34a_100000700776_100000210303 [1,1,0,0,0,0|1,0,1]=4 2207 B8R0.4 C=CCCCNCCF 2230a_100000700776_100011217306 [1,1,0,0,0,0|1,0,1]=4 2208 B8R0.4 C=CCCCNCCF 34a_100000700776_100011217306 [1,1,0,0,0,0|1,0,1]=4 2209 B8R0.4 C=CCCCNCCF 34a_100000724931_100000757094 [1,1,0,0,0,0|1,0,1]=4 2210 B8R0.4 C=CCCCNCCO 2230a_100000700776_100000211926 [1,1,0,0,0,0|1,0,1]=4 2211 B8R0.4 C=CCCCNCCO 2230a_100016997473_100011713584 [1,1,0,0,0,0|1,0,1]=4 2212 B8R0.4 C=CCCCNCCO 34a_100000700776_100000211926 [1,1,0,0,0,0|1,0,1]=4 2213 B8R0.4 C=CCCCNCCO 34a_100016990907_100000757094 [1,1,0,0,0,0|1,0,1]=4 2214 B8R0.4 C=CCCCNCOC 2230a_100000700776_100000766300 [1,1,0,0,0,0|1,0,1]=4 2215 B8R0.4 C=CCCCNCSC 2230a_100000700776_100011218213 [1,1,0,0,0,0|1,0,1]=4 2216 B8R0.4 C=CCCCNCSC 34a_100000700776_100011218213 [1,1,0,0,0,0|1,0,1]=4 2217 B8R0.4 C=CCCCOCC#N 7a_100000758997_100011215382 [1,1,0,0,0,0|0,0,2]=4 2218 B8R0.4 C=CCCCOCC=C 34a_100000758997_100015514636 [1,1,0,0,0,0|0,0,2]=4 2219 B8R0.4 C=CCCCOCC=C 34a_200000210373_100000757094 [1,1,0,0,0,0|0,0,2]=4 2220 B8R0.4 C=CCCCOCC=C 7a_100000758997_100015514636 [1,1,0,0,0,0|0,0,2]=4 2221 B8R0.4 C=CCCCOCC=O 34a_100000758997_200009817547 [1,1,0,0,0,0|0,0,2]=4 2222 B8R0.4 C=CCCCOCC=O 7a_100000758997_200015260668 [1,1,0,0,0,0|0,0,2]=4 2223 B8R0.4 C=CCCCOCCBr 34a_100000211926_100000757094 [1,1,0,0,0,0|0,0,1]=3 2224 B8R0.4 C=CCCCOCCC 34a_100000210258_100000757094 [1,1,0,0,0,0|0,0,1]=3 2225 B8R0.4 C=CCCCOCCC 34a_100000758997_100000210303 [1,1,0,0,0,0|0,0,1]=3 2226 B8R0.4 C=CCCCOCCC 7a_100000758997_100000210303 [1,1,0,0,0,0|0,0,1]=3 2227 B8R0.4 C=CCCCOCCF 34a_100000758997_100011217306 [1,1,0,0,0,0|0,0,1]=3 2228 B8R0.4 C=CCCCOCCF 7a_100000758997_100011217306 [1,1,0,0,0,0|0,0,1]=3 2229 B8R0.4 C=CCCCOCCN 34a_100000210304_100000757094 [1,1,0,0,0,0|0,0,1]=3 2230 B8R0.4 C=CCCCOCCO 34a_100000758997_100000211926 [1,1,0,0,0,0|0,0,1]=3 2231 B8R0.4 C=CCCCOCCO 7a_100000758997_100000211926 [1,1,0,0,0,0|0,0,1]=3 2232 B8R0.4 C=CCCCOCSC 34a_100000758997_100011218213 [1,1,0,0,0,0|0,0,1]=3 2233 B8R0.4 C=CCCCSCCC 62a_100000210303_100000757094 [1,1,0,0,0,0|0,1,1]=4 2234 B8R0.4 C=CCCCSCCC 62a_100011713584_100000210303 [1,1,0,0,0,0|0,1,1]=4 2235 B8R0.4 C=CCCCSCCF 62a_100011217306_100000757094 [1,1,0,0,0,0|0,1,1]=4 2236 B8R0.4 C=CCCCSCCF 62a_100011713584_100011217306 [1,1,0,0,0,0|0,1,1]=4 2237 B8R0.4 C=CCCCSCCO 62a_100000211926_100000757094 [1,1,0,0,0,0|0,1,1]=4 2238 B8R0.4 C=CCCCSCCO 62a_100011713584_100000211926 [1,1,0,0,0,0|0,1,1]=4 2239 B8R0.4 C=CCCCSCOC 62a_100000766300_100000757094 [1,1,0,0,0,0|0,1,1]=4 2240 B8R0.4 C=CCCCSCOC 62a_100011713584_100000766300 [1,1,0,0,0,0|0,1,1]=4 2241 B8R0.4 C=CCCCSCSC 62a_100011218213_100000757094 [1,1,0,0,0,0|0,1,1]=4 2242 B8R0.4 C=CCCCSCSC 62a_100011713584_100011218213 [1,1,0,0,0,0|0,1,1]=4 2243 B8R0.4 C=CCCNCCCC 2230a_100000102301_100000754431 [1,1,0,0,0,0|1,0,1]=4 2244 B8R0.4 C=CCCNCCCC 2230a_100015191253_100000210211 [1,1,0,0,0,0|1,0,1]=4 2245 B8R0.4 C=CCCNCCCC 7a_106832991798_100000754431 [1,1,0,0,0,0|1,0,1]=4 2246 B8R0.4 C=CCCNCCCF 2230a_100015189416_100000754431 [1,1,0,0,0,0|2,0,0]=4 2247 B8R0.4 C=CCCNCCCF 2230a_100015191253_100011934791 [1,1,0,0,0,0|2,0,0]=4 2248 B8R0.4 C=CCCNCCCF 34a_100015189416_100000754431 [1,1,0,0,0,0|2,0,0]=4 2249 B8R0.4 C=CCCNCCCO 2230a_100015191253_100000230001 [1,1,0,0,0,0|2,0,0]=4 2250 B8R0.4 C=CCCNCCOC 2230a_100000209980_100000754431 [1,1,0,0,0,0|2,0,0]=4 2251 B8R0.4 C=CCCNCCOC 2230a_100015191253_100011201679 [1,1,0,0,0,0|2,0,0]=4 2252 B8R0.4 C=CCCNCCSC 2230a_100015191253_100000751147 [1,1,0,0,0,0|2,0,0]=4 2253 B8R0.4 C=CCCNCCSC 2230a_100020590264_100000754431 [1,1,0,0,0,0|2,0,0]=4 2254 B8R0.4 C=CCCOCCCBr 34a_100011217188_100000754431 [1,1,0,0,0,0|2,0,0]=4 2255 B8R0.4 C=CCCOCCCC 34a_100000210227_100000754431 [1,1,0,0,0,0|1,0,1]=4 2256 B8R0.4 C=CCCOCCCC 34a_100011205117_100000210210 [1,1,0,0,0,0|1,0,1]=4 2257 B8R0.4 C=CCCOCCCC 7a_100000210227_100000754431 [1,1,0,0,0,0|1,0,1]=4 2258 B8R0.4 C=CCCOCCCCl 34a_100000230001_100000754431 [1,1,0,0,0,0|2,0,0]=4 2259 B8R0.4 C=CCCOCCCF 34a_100000759539_100000754431 [1,1,0,0,0,0|2,0,0]=4 2260 B8R0.4 C=CCCOCCCF 34a_100011205117_100011934791 [1,1,0,0,0,0|2,0,0]=4 2261 B8R0.4 C=CCCOCCCN 34a_100000182051_100000754431 [1,1,0,0,0,0|2,0,0]=4 2262 B8R0.4 C=CCCOCCCO 34a_100011205117_100000230001 [1,1,0,0,0,0|2,0,0]=4 2263 B8R0.4 C=CCCOCCOC 34a_100000210237_100000754431 [1,1,0,0,0,0|2,0,0]=4 2264 B8R0.4 C=CCCOCCOC 34a_100011205117_100011201679 [1,1,0,0,0,0|2,0,0]=4 2265 B8R0.4 C=CCCOCCSC 34a_100000230434_100000754431 [1,1,0,0,0,0|2,0,0]=4 2266 B8R0.4 C=CCCOCCSC 34a_100011205117_100000212216 [1,1,0,0,0,0|2,0,0]=4 2267 B8R0.4 C=CCCOCCSC 7a_100000230434_100000754431 [1,1,0,0,0,0|2,0,0]=4 2268 B8R0.4 C=CCCSCCCC 62a_100000210211_100000754431 [1,1,0,0,0,0|1,0,1]=4 2269 B8R0.4 C=CCCSCCCC 62a_100000754431_100000210210 [1,1,0,0,0,0|1,0,1]=4 2270 B8R0.4 C=CCCSCCCF 62a_100000754431_100011934791 [1,1,0,0,0,0|2,0,0]=4 2271 B8R0.4 C=CCCSCCCF 62a_100011934791_100000754431 [1,1,0,0,0,0|2,0,0]=4 2272 B8R0.4 C=CCCSCCCO 62a_100000754431_100011215043 [1,1,0,0,0,0|2,0,0]=4 2273 B8R0.4 C=CCCSCCCO 62a_100011215043_100000754431 [1,1,0,0,0,0|2,0,0]=4 2274 B8R0.4 C=CCCSCCOC 62a_100000233755_100000754431 [1,1,0,0,0,0|2,0,0]=4 2275 B8R0.4 C=CCCSCCOC 62a_100000754431_100000233755 [1,1,0,0,0,0|2,0,0]=4 2276 B8R0.4 C=CCCSCCSC 62a_100000212216_100000754431 [1,1,0,0,0,0|2,0,0]=4 2277 B8R0.4 C=CCCSCCSC 62a_100000754431_100000751147 [1,1,0,0,0,0|2,0,0]=4 2278 B8R0.4 C=CCCSCOCC 62a_100000739092_100000754431 [1,1,0,0,0,0|0,0,1]=3 2279 B8R0.4 C=CCCSCOCC 62a_100000754431_100000739092 [1,1,0,0,0,0|0,0,1]=3 2280 B8R0.4 C=CCNC/C=C\CC 2230a_100020586998_100103147603 [1,1,0,0,0,0|1,0,0]=3 2281 B8R0.4 C=CCNCC#CCC 2230a_100020586998_100009813939 [1,1,0,0,0,0|1,0,1]=4 2282 B8R0.4 C=CCNCCCCC 2230a_100000209983_100000210623 [1,1,0,0,0,0|1,0,1]=4 2283 B8R0.4 C=CCNCCCCC 2230a_100020586998_100000210326 [1,1,0,0,0,0|1,0,1]=4 2284 B8R0.4 C=CCNCCOCC 2230a_100020586998_100011215890 [1,1,0,0,0,0|0,0,1]=3 2285 B8R0.4 C=CCNCCOCC 2230a_102516460346_100000210623 [1,1,0,0,0,0|0,0,1]=3 2286 B8R0.4 C=CCNCCOCC 34a_102516460346_100015514636 [1,1,0,0,0,0|0,0,1]=3 2287 B8R0.4 C=CCNCCSCC 2230a_100000106463_100000210623 [1,1,0,0,0,0|0,1,1]=4 2288 B8R0.4 C=CCNCCSCC 2230a_100020586998_100000757381 [1,1,0,0,0,0|0,1,1]=4 2289 B8R0.4 C=CCOC/C=C\CC 34a_100016268518_100015514636 [1,1,0,0,0,0|1,0,0]=3 2290 B8R0.4 C=CCOC/C=C\CC 34a_200000210373_100103147603 [1,1,0,0,0,0|1,0,0]=3 2291 B8R0.4 C=CCOCC#CCC 34a_100000032950_100015514636 [1,1,0,0,0,0|1,0,1]=4 2292 B8R0.4 C=CCOCC#CCC 34a_200000210373_100009813939 [1,1,0,0,0,0|1,0,1]=4 2293 B8R0.4 C=CCOCCCCC 34a_100000210253_100015514636 [1,1,0,0,0,0|1,0,1]=4 2294 B8R0.4 C=CCOCCCCC 34a_200000210373_100000718602 [1,1,0,0,0,0|1,0,1]=4 2295 B8R0.4 C=CCOCCCCC 7a_100000210253_100015514636 [1,1,0,0,0,0|1,0,1]=4 2296 B8R0.4 C=CCOCCOCC 34a_100000037705_100000210202 [1,1,0,0,0,0|0,0,1]=3 2297 B8R0.4 C=CCOCCOCC 34a_100000210136_100015514636 [1,1,0,0,0,0|0,0,1]=3 2298 B8R0.4 C=CCOCCOCC 34a_200000210373_100000210147 [1,1,0,0,0,0|0,0,1]=3 2299 B8R0.4 C=CCOCCOCC 7a_100000037705_100000210202 [1,1,0,0,0,0|0,0,1]=3 2300 B8R0.4 C=CCOCCOCC 7a_100000210136_100015514636 [1,1,0,0,0,0|0,0,1]=3 2301 B8R0.4 C=CCOCCOCF 34a_100000037705_100015361967 [1,1,0,0,0,0|1,0,1]=4 2302 B8R0.4 C=CCOCCOCF 7a_100000037705_100015361967 [1,1,0,0,0,0|1,0,1]=4 2303 B8R0.4 C=CCOCCSCC 34a_100000212035_100015514636 [1,1,0,0,0,0|0,1,1]=4 2304 B8R0.4 C=CCOCCSCC 34a_200000210373_100000757381 [1,1,0,0,0,0|0,1,1]=4 2305 B8R0.4 C=CCOCCSCC 7a_100000212035_100015514636 [1,1,0,0,0,0|0,1,1]=4 2306 B8R0.4 C=CCSC/C=C\CC 62a_100000210623_100103147603 [1,1,0,0,0,0|1,0,0]=3 2307 B8R0.4 C=CCSC/C=C\CC 62a_100103147603_100000210623 [1,1,0,0,0,0|1,0,0]=3 2308 B8R0.4 C=CCSCC#CCC 62a_100000210623_100009813939 [1,1,0,0,0,0|1,0,1]=4 2309 B8R0.4 C=CCSCC#CCC 62a_100009813939_100000210623 [1,1,0,0,0,0|1,0,1]=4 2310 B8R0.4 C=CCSCCCCC 62a_100000210326_100000210623 [1,1,0,0,0,0|1,0,1]=4 2311 B8R0.4 C=CCSCCCCC 62a_100000210623_100000210326 [1,1,0,0,0,0|1,0,1]=4 2312 B8R0.4 C=CCSCCOCC 62a_100000210147_100000210623 [1,1,0,0,0,0|0,0,1]=3 2313 B8R0.4 C=CCSCCOCC 62a_100000210623_100011215890 [1,1,0,0,0,0|0,0,1]=3 2314 B8R0.4 C=CCSCCSCC 62a_100000210623_100000757381 [1,1,0,0,0,0|0,1,1]=4 2315 B8R0.4 C=CCSCCSCC 62a_100000757381_100000210623 [1,1,0,0,0,0|0,1,1]=4 2316 B8R0.4 C=COCCCNCC 2230a_100000210767_100000210202 [1,1,0,0,0,0|1,0,1]=4 2317 B8R0.4 C=COCCCNCC 34a_100000210767_100000210202 [1,1,0,0,0,0|1,0,1]=4 2318 B8R0.4 C=COCCOCCBr 34a_100000211926_100000039644 [1,1,0,0,0,0|1,0,1]=4 2319 B8R0.4 C=COCCOCCC 34a_100000033082_100000210303 [1,1,0,0,0,0|1,0,1]=4 2320 B8R0.4 C=COCCOCCC 34a_100000210258_100000039644 [1,1,0,0,0,0|1,0,1]=4 2321 B8R0.4 C=COCCOCCF 34a_100000033082_100011217306 [1,1,0,0,0,0|1,0,1]=4 2322 B8R0.4 C=COCCOCCN 34a_100000210304_100000039644 [1,1,0,0,0,0|1,0,1]=4 2323 B8R0.4 C=COCCOCCO 34a_100000033082_100000211926 [1,1,0,0,0,0|1,0,1]=4 2324 B8R0.4 C=COCCOCSC 34a_100000033082_100011218213 [1,1,0,0,0,0|1,0,1]=4 2325 B8R0.4 C=COCCSCCC 62a_100000039644_100000210303 [1,1,0,0,0,0|2,0,0]=4 2326 B8R0.4 C=COCCSCCC 62a_100000210303_100000039644 [1,1,0,0,0,0|2,0,0]=4 2327 B8R0.4 CC/C=C\COCC=O 34a_100016268518_200009817547 [1,1,0,0,0,0|2,0,0]=4 2328 B8R0.4 CC/C=C\CSCC=O 62a_100103147603_200015260668 [1,1,0,0,0,0|2,0,0]=4 2329 B8R0.4 CC/C=C\CSCC=O 62a_200015260668_100103147603 [1,1,0,0,0,0|2,0,0]=4 2330 B8R0.4 CC=CCCCOCC 34a_100020645299_100000210202 [1,1,0,0,0,0|0,0,1]=3 2331 B8R0.4 CC=CCCCOCF 34a_100020645299_100015361967 [1,1,0,0,0,0|1,0,1]=4 2332 B8R0.4 CC=CCSCOCC 62a_100000070051_100000739092 [1,1,0,0,0,0|1,0,1]=4 2333 B8R0.4 CC=CCSCOCC 62a_100000739092_100000070051 [1,1,0,0,0,0|1,0,1]=4 2334 B8R0.4 CCOCCNCC=O 2230a_102516460346_200015260668 [1,1,0,0,0,0|1,0,1]=4 2335 B8R0.4 CCOCCNCC=O 34a_102516460346_200009817547 [1,1,0,0,0,0|1,0,1]=4 2336 B8R0.4 CCOCCOCC=O 34a_100000210136_200009817547 [1,1,0,0,0,0|1,0,1]=4 2337 B8R0.4 CCOCCOCC=O 7a_100000210136_200015260668 [1,1,0,0,0,0|1,0,1]=4 2338 B8R0.4 CCOCCSCC=O 62a_100000210147_200015260668 [1,1,0,0,0,0|1,0,1]=4 2339 B8R0.4 CCOCCSCC=O 62a_200015260668_100011215890 [1,1,0,0,0,0|1,0,1]=4 2340 B8R0.6 C=CC(=O)C/C=C\CC 1458a_100000185746_100103147603 [1,1,0,0,0,0|1,0,1]=4 2341 B8R0.6 C=CC(=O)CCOCC 1458a_100000185746_100011215890 [1,1,0,0,0,0|0,0,2]=4 2342 B8R0.6 C=CC(C)COCCC 34a_100011215527_100000210303 [1,1,0,0,0,0|2,0,0]=4 2343 B8R0.6 C=CC(C)COCCC 7a_100011215527_100000210303 [1,1,0,0,0,0|2,0,0]=4 2344 B8R0.6 C=CC(C)SCOCC 62a_100011215867_100000739092 [1,1,0,0,0,0|1,0,1]=4 2345 B8R0.6 C=CC(O)COCCC 34a_100000210258_100000730141 [1,1,0,0,0,0|2,0,0]=4 2346 B8R0.6 C=CC(O)CSCCC 62a_100000210303_100000730141 [1,1,0,0,0,0|2,0,0]=4 2347 B8R0.6 C=CC(O)CSCCC 62a_100000730141_100000210303 [1,1,0,0,0,0|2,0,0]=4 2348 B8R0.6 C=CCCCC(=O)CC 1458a_100000210414_100000757094 [1,1,0,0,0,0|1,0,1]=4 2349 B8R0.6 C=CCCCC(=O)CC 1458a_100000766728_100000210202 [1,1,0,0,0,0|1,0,1]=4 2350 B8R0.6 C=CCCCN(C)CC 2230a_100000225621_100011713584 [1,1,0,0,0,0|1,0,1]=4 2351 B8R0.6 C=CCCCN(C)CC 269982a_100000225621_100000757094 [1,1,0,0,0,0|1,0,1]=4 2352 B8R0.6 C=CCCNC(=O)CC 11a_100015191253_100000210414 [1,1,0,0,0,0|2,0,0]=4 2353 B8R0.6 C=CCCNC(=O)CC 1626a_100015191253_100000210414 [1,1,0,0,0,0|2,0,0]=4 2354 B8R0.6 C=CCCNC(=O)CC 240690a_100015191253_100000210414 [1,1,0,0,0,0|2,0,0]=4 2355 B8R0.6 C=CCCNC(=O)CC 527a_100015191253_100000210414 [1,1,0,0,0,0|2,0,0]=4 2356 B8R0.6 C=CCCNC(C)CC 2230a_100000209981_100000754431 [1,1,0,0,0,0|2,0,0]=4 2357 B8R0.6 C=CCCNC(C)CC 2230a_100015191253_100000758301 [1,1,0,0,0,0|2,0,0]=4 2358 B8R0.6 C=CCCOC(C)CC 34a_100011205117_100011215416 [1,1,0,0,0,0|2,0,0]=4 2359 B8R0.6 C=CCCOC(C)CC 7a_100000210228_100000754431 [1,1,0,0,0,0|2,0,0]=4 2360 B8R0.6 C=CCCSC(C)CC 62a_100000754431_100000758301 [1,1,0,0,0,0|2,0,0]=4 2361 B8R0.6 C=CCCSC(C)CC 62a_100000758301_100000754431 [1,1,0,0,0,0|2,0,0]=4 2362 B8R0.6 C=C[C@H](N)COCCC 34a_100016989147_100000210303 [1,1,0,0,0,0|2,0,0]=4 2363 B8R0.7 C=C(Br)CCOCCC 34a_100009813270_100000210303 [1,1,0,0,0,0|2,0,0]=4 2364 B8R0.7 C=C(C)CCOCCC 34a_100000210258_100000730704 [1,1,0,0,0,0|2,0,0]=4 2365 B8R0.7 C=C(C)CCOCCC 34a_100000764851_100000210303 [1,1,0,0,0,0|2,0,0]=4 2366 B8R0.7 C=C(C)CCSCCC 62a_100000210303_100000730704 [1,1,0,0,0,0|2,0,0]=4 2367 B8R0.7 C=C(C)CCSCCC 62a_100000730704_100000210303 [1,1,0,0,0,0|2,0,0]=4 2368 B8R0.7 C=C(C)CSCOCC 62a_100000739092_100000211660 [1,1,0,0,0,0|1,0,1]=4 2369 B8R0.7 C=C(C)CSCOCC 62a_100000748629_100000739092 [1,1,0,0,0,0|1,0,1]=4 2370 B8R0.7 C=C(F)CSCOCC 62a_100000042424_100000739092 [1,1,0,0,0,0|1,0,1]=4 2371 B8R0.7 C=C(F)CSCOCC 62a_100000739092_100000042424 [1,1,0,0,0,0|1,0,1]=4 2372 B8R0.7 C=CCCCNC(C)C 2230a_100000700776_100000210206 [1,1,0,0,0,0|1,0,1]=4 2373 B8R0.7 C=CCCCNC(C)C 2230a_100138425928_100011713584 [1,1,0,0,0,0|1,0,1]=4 2374 B8R0.7 C=CCCCNC(C)C 34a_100000700776_100000210206 [1,1,0,0,0,0|1,0,1]=4 2375 B8R0.7 C=CCCCNC(C)C 34a_100138425928_100000757094 [1,1,0,0,0,0|1,0,1]=4 2376 B8R0.7 C=CCCCOC(C)C 34a_100000212225_100000757094 [1,1,0,0,0,0|0,0,1]=3 2377 B8R0.7 C=CCCCOC(C)C 34a_100000758997_100000210206 [1,1,0,0,0,0|0,0,1]=3 2378 B8R0.7 C=CCCCOC(C)C 7a_100000758997_100000210206 [1,1,0,0,0,0|0,0,1]=3 2379 B8R0.7 C=CCCCSC(C)C 62a_100000210206_100000757094 [1,1,0,0,0,0|0,1,1]=4 2380 B8R0.7 C=CCCCSC(C)C 62a_100011713584_100000210206 [1,1,0,0,0,0|0,1,1]=4 2381 B8R0.7 C=CCCNCC(C)C 2230a_100000210953_100000754431 [1,1,0,0,0,0|2,0,0]=4 2382 B8R0.7 C=CCCNCC(C)C 2230a_100015191253_100000210760 [1,1,0,0,0,0|2,0,0]=4 2383 B8R0.7 C=CCCNCC(C)C 270004a_100015191253_100000210432 [1,1,0,0,0,0|2,0,0]=4 2384 B8R0.7 C=CCCNCC(C)C 34a_100000210953_100000754431 [1,1,0,0,0,0|2,0,0]=4 2385 B8R0.7 C=CCCNCC(C)O 2230a_100000210904_100000754431 [1,1,0,0,0,0|2,0,0]=4 2386 B8R0.7 C=CCCNCC(C)O 2230a_100015191253_100011218427 [1,1,0,0,0,0|2,0,0]=4 2387 B8R0.7 C=CCCNCC(C)O 34a_100000210904_100000754431 [1,1,0,0,0,0|2,0,0]=4 2388 B8R0.7 C=CCCNC[C@@H](C)O 2230a_100015191253_100009817552 [1,1,0,0,0,0|2,0,0]=4 2389 B8R0.7 C=CCCOCC(C)Br 34a_100012180447_100000754431 [1,1,0,0,0,0|2,0,0]=4 2390 B8R0.7 C=CCCOCC(C)C 34a_100000210257_100000754431 [1,1,0,0,0,0|2,0,0]=4 2391 B8R0.7 C=CCCOCC(C)C 34a_100011205117_100000210624 [1,1,0,0,0,0|2,0,0]=4 2392 B8R0.7 C=CCCOCC(C)F 34a_100015925927_100000754431 [1,1,0,0,0,0|2,0,0]=4 2393 B8R0.7 C=CCCOCC(C)O 34a_100011205117_100011218427 [1,1,0,0,0,0|2,0,0]=4 2394 B8R0.7 C=CCCOC[C@@H](C)Cl 34a_100016084084_100000754431 [1,1,0,0,0,0|2,0,0]=4 2395 B8R0.7 C=CCCOC[C@@H](C)N 34a_100000737577_100000754431 [1,1,0,0,0,0|2,0,0]=4 2396 B8R0.7 C=CCCOC[C@@H](C)O 34a_100011205117_100009817552 [1,1,0,0,0,0|2,0,0]=4 2397 B8R0.7 C=CCCSCC(C)C 62a_100000210624_100000754431 [1,1,0,0,0,0|2,0,0]=4 2398 B8R0.7 C=CCCSCC(C)C 62a_100000754431_100000210760 [1,1,0,0,0,0|2,0,0]=4 2399 B8R0.7 C=CCCSCC(C)O 62a_100000754431_100011218427 [1,1,0,0,0,0|2,0,0]=4 2400 B8R0.7 C=CCCSCC(C)O 62a_100011218427_100000754431 [1,1,0,0,0,0|2,0,0]=4 2401 B8R0.7 C=CCCSC[C@@H](C)O 62a_100000754431_100009817552 [1,1,0,0,0,0|2,0,0]=4 2402 B8R0.7 C=CCCSC[C@@H](C)O 62a_100009817552_100000754431 [1,1,0,0,0,0|2,0,0]=4 2403 B8R0.7 C=CCNCOC(C)C 2230a_100020586998_100000709892 [1,1,0,0,0,0|1,0,1]=4 2404 B8R0.7 C=CCOCOC(C)C 34a_200000210373_100000709892 [1,1,0,0,0,0|1,0,1]=4 2405 B8R0.7 C=CCSCOC(C)C 62a_100000210623_100000709892 [1,1,0,0,0,0|1,0,1]=4 2406 B8R0.7 C=CCSCOC(C)C 62a_100000709892_100000210623 [1,1,0,0,0,0|1,0,1]=4 2407 B8R0.7 C=COCCOC(C)C 34a_100000033082_100000210206 [1,1,0,0,0,0|1,0,1]=4 2408 B8R0.7 C=COCCOC(C)C 34a_100000212225_100000039644 [1,1,0,0,0,0|1,0,1]=4 2409 B8R0.7 CC/C=C\CCC(=O)C 1458a_100000070787_100015370543 [1,1,0,0,0,0|1,0,1]=4 2410 B8R0.7 CCOCCCC(=O)C 1458a_100000070787_100012232248 [1,1,0,0,0,0|0,0,2]=4 2411 B8R0.7 CCOCCCC(=O)C 34a_100000759063_100000210202 [1,1,0,0,0,0|0,0,2]=4 2412 B8R0.7 CCOCCCC(=O)C 34a_100121572206_100000685027 [1,1,0,0,0,0|0,0,2]=4 2413 B8R0.7 CCOCCCC(=O)C 7a_100000759063_100000210202 [1,1,0,0,0,0|0,0,2]=4 2414 B8R0.7 CCOCCCC(=O)N 34a_100121572206_100102525003 [1,1,0,0,0,0|1,0,1]=4 2415 B8R0.3 C=CCC(=O)C(=O)NC 1458a_100011218921_100000210623 [1,1,0,0,0,0|1,0,1]=4 2416 B8R0.3 C=CCC(C)C(=O)CC 1458a_100011216819_100000210202 [1,1,0,0,0,0|0,0,0]=2 2417 B8R0.3 C=CCC(C)C(=O)CF 1458a_100011216819_100015361967 [1,1,0,0,0,0|1,0,0]=3 2418 B8R0.3 C=CCC(C)C(=O)NC 11a_106832991635_100011216819 [1,1,0,0,0,0|1,0,0]=3 2419 B8R0.3 C=CCC(C)C(=O)NC 1626a_100102657272_100011216819 [1,1,0,0,0,0|1,0,0]=3 2420 B8R0.3 C=CCC(C)C(=O)NC 240690a_100102657272_100011216819 [1,1,0,0,0,0|1,0,0]=3 2421 B8R0.3 C=CCC(C)C(=O)NC 527a_100102657272_100011216819 [1,1,0,0,0,0|1,0,0]=3 2422 B8R0.3 C=CCN(C)C(=O)CC 11a_100000225617_100000210414 [1,1,0,0,0,0|1,0,0]=3 2423 B8R0.3 C=CCN(C)C(=O)CC 1626a_100000225617_100000210414 [1,1,0,0,0,0|1,0,0]=3 2424 B8R0.3 C=CCN(C)C(=O)CC 240690a_100000225617_100000210414 [1,1,0,0,0,0|1,0,0]=3 2425 B8R0.3 C=CCN(C)C(=O)CC 527a_100000225617_100000210414 [1,1,0,0,0,0|1,0,0]=3 2426 B8R0.3 C=CCN(C)C(=O)CO 240690a_100000225617_100000210174 [1,1,0,0,0,0|2,0,0]=4 2427 B8R0.3 C=CCN(C)C(=O)CO 527a_100000225617_100000210174 [1,1,0,0,0,0|2,0,0]=4 2428 B8R0.3 C=CCN(C)C(=O)NC 2708a_100102657272_100000225617 [1,1,0,0,0,0|2,0,0]=4 2429 B8R0.3 C=CCN(C)C(=O)NC 273464a_100102657272_100000225617 [1,1,0,0,0,0|2,0,0]=4 2430 B8R0.3 CCC(=O)C(C)CC#N 1458a_100000210414_100009813641 [1,1,0,0,0,0|1,0,1]=4 2431 B8R0.3 CCC(=O)C(C)CCO 1458a_100000210414_100009893172 [1,1,0,0,0,0|1,0,1]=4 2432 B8R0.3 CCC(=O)C(C)COC 1458a_100000210414_100000765312 [1,1,0,0,0,0|1,0,1]=4 2433 B8R0.3 CCC(=O)C(C)COC 1458a_100000751857_100000210202 [1,1,0,0,0,0|1,0,1]=4 2434 B8R0.3 CCC(=O)C(C)CSC 1458a_100000753918_100000210202 [1,1,0,0,0,0|1,0,1]=4 2435 B8R0.3 CCCC(C)C(=O)CC 1458a_100000210414_100000766640 [1,1,0,0,0,0|0,0,2]=4 2436 B8R0.3 CCCC(C)C(=O)CC 1458a_100000210906_100000210202 [1,1,0,0,0,0|0,0,2]=4 2437 B8R0.3 CCC[C@H](O)C(=O)CC 1458a_100009822183_100000210202 [1,1,0,0,0,0|0,0,2]=4 2438 B8R0.3 CNCC(C)C(=O)OC 34a_100102657272_100000698445 [1,1,0,0,0,0|1,0,1]=4 2439 B8R0.3 COC(=O)C(C)CO[13CH3] 34a_100000749362_200025704644 [1,1,0,0,0,0|1,0,1]=4 2440 B8R0.3 COC(=O)C(C)CO[13CH3] 7a_100000749362_200025704644 [1,1,0,0,0,0|1,0,1]=4 2441 B8R0.3 COC(=O)C(C)CSC 62a_100000698445_200000210301 [1,1,0,0,0,0|1,0,1]=4 2442 B8R0.3 COC(=O)C(C)CSC 62a_200000210301_100000698445 [1,1,0,0,0,0|1,0,1]=4 2443 B8R0.3 COC(=O)C(C)CS[13CH3] 62a_100000698445_200025704644 [1,1,0,0,0,0|1,0,1]=4 2444 B8R0.3 COC(=O)C(C)CS[13CH3] 62a_200025704644_100000698445 [1,1,0,0,0,0|1,0,1]=4 2445 B8R0.3 COC(=O)C(F)CO[13CH3] 34a_200009849844_200025704644 [1,1,0,0,0,0|1,0,1]=4 2446 B8R0.3 COC(=O)[C@H](N)CO[13CH3] 34a_100000003586_200025704644 [1,1,0,0,0,0|1,0,1]=4 2447 B8R0.3 COCC(C)C(=O)OC 34a_100000749362_200000210301 [1,1,0,0,0,0|1,0,1]=4 2448 B8R0.3 COCC(C)C(=O)OC 34a_100138415774_100000698445 [1,1,0,0,0,0|1,0,1]=4 2449 B8R0.3 COCC(C)C(=O)OC 7a_100000749362_200000210301 [1,1,0,0,0,0|1,0,1]=4 2450 B8R0.3 COCC(F)C(=O)OC 34a_200009849844_200000210301 [1,1,0,0,0,0|1,0,1]=4 2451 B8R0.3 COC[C@@H](N)C(=O)OC 34a_100000003586_200000210301 [1,1,0,0,0,0|1,0,1]=4 2452 B8R0.8 C#CCCC(=O)C(C)C 1458a_100000210198_100000753159 [1,1,0,0,0,0|0,0,2]=4 2453 B8R0.8 C#CCCC(=O)C(C)C 1458a_100000692101_100000210206 [1,1,0,0,0,0|0,0,2]=4 2454 B8R0.8 C#CCCC(=O)C(C)F 1458a_100000062450_100000753159 [1,1,0,0,0,0|0,0,2]=4 2455 B8R0.8 C#CCCC(=O)[C@@H](C)O 1458a_100000717761_100000753159 [1,1,0,0,0,0|0,0,2]=4 2456 B8R0.8 C#CCCC(=O)[C@H](C)O 1458a_217856618621_100000753159 [1,1,0,0,0,0|0,0,2]=4 2457 B8R0.8 C/C=C/CC(=O)C(C)C 1458a_100000210198_100102629194 [1,1,0,0,0,0|0,0,2]=4 2458 B8R0.8 C/C=C/CC(=O)C(C)F 1458a_100000062450_100102629194 [1,1,0,0,0,0|0,0,2]=4 2459 B8R0.8 C/C=C/CC(=O)[C@@H](C)O 1458a_100000717761_100102629194 [1,1,0,0,0,0|0,0,2]=4 2460 B8R0.8 C/C=C/CC(=O)[C@H](C)O 1458a_217856618621_100102629194 [1,1,0,0,0,0|0,0,2]=4 2461 B8R0.8 C=CC=CC(=O)C(C)C 1458a_100016291481_100000210206 [1,1,0,0,0,0|0,0,2]=4 2462 B8R0.8 C=CCCC(=O)C(=C)C 1458a_100000185857_100000754431 [1,1,0,0,0,0|0,0,1]=3 2463 B8R0.8 C=CCCC(=O)C(C)C 1458a_100000210198_100000754431 [1,1,0,0,0,0|0,0,0]=2 2464 B8R0.8 C=CCCC(=O)C(C)C 1458a_100000749702_100000210206 [1,1,0,0,0,0|0,0,0]=2 2465 B8R0.8 C=CCCC(=O)C(C)F 1458a_100000062450_100000754431 [1,1,0,0,0,0|0,0,0]=2 2466 B8R0.8 C=CCCC(=O)C(O)O 1458a_100000233687_100000754431 [1,1,0,0,0,0|1,0,0]=3 2467 B8R0.8 C=CCCC(=O)N(C)C 11a_100102631434_100000749702 [1,1,0,0,0,0|1,0,0]=3 2468 B8R0.8 C=CCCC(=O)N(C)C 1626a_100102631434_100000749702 [1,1,0,0,0,0|1,0,0]=3 2469 B8R0.8 C=CCCC(=O)N(C)C 240690a_100102631434_100000749702 [1,1,0,0,0,0|1,0,0]=3 2470 B8R0.8 C=CCCC(=O)N(C)C 527a_100102631434_100000749702 [1,1,0,0,0,0|1,0,0]=3 2471 B8R0.8 C=CCCC(=O)[C@@H](C)O 1458a_100000717761_100000754431 [1,1,0,0,0,0|0,0,0]=2 2472 B8R0.8 C=CCCC(=O)[C@H](C)O 1458a_217856618621_100000754431 [1,1,0,0,0,0|0,0,0]=2 2473 B8R0.8 C=CCCN(C)C(C)C 2230a_100020639649_100000210206 [1,1,0,0,0,0|2,0,0]=4 2474 B8R0.8 C=CCCN(C)C(C)C 269982a_100020639649_100000210206 [1,1,0,0,0,0|2,0,0]=4 2475 B8R0.8 C=CCCN(C)C(C)C 269982a_200000211004_100000754431 [1,1,0,0,0,0|2,0,0]=4 2476 B8R0.8 C=CCNC(=O)C(=C)C 1626a_100020586998_100000185857 [1,1,0,0,0,0|1,0,1]=4 2477 B8R0.8 C=CCNC(=O)C(C)C 1626a_100020586998_100000210198 [1,1,0,0,0,0|1,0,0]=3 2478 B8R0.8 C=CCNC(=O)C(C)C 240690a_100020586998_100000210198 [1,1,0,0,0,0|1,0,0]=3 2479 B8R0.8 C=CCNC(=O)C(C)C 527a_100020586998_100000210198 [1,1,0,0,0,0|1,0,0]=3 2480 B8R0.8 C=CCNC(=O)C(C)F 1626a_100020586998_100000062450 [1,1,0,0,0,0|1,0,0]=3 2481 B8R0.8 C=CCNC(=O)C(C)F 240690a_100020586998_100000062450 [1,1,0,0,0,0|1,0,0]=3 2482 B8R0.8 C=CCNC(=O)C(C)F 527a_100020586998_100000062450 [1,1,0,0,0,0|1,0,0]=3 2483 B8R0.8 C=CCNC(=O)C(F)F 1626a_100020586998_100000210393 [1,1,0,0,0,0|2,0,0]=4 2484 B8R0.8 C=CCNC(=O)C(F)F 240690a_100020586998_100000210393 [1,1,0,0,0,0|2,0,0]=4 2485 B8R0.8 C=CCNC(=O)C(F)F 527a_100020586998_100000210393 [1,1,0,0,0,0|2,0,0]=4 2486 B8R0.8 C=CCNC(=O)C(O)O 240690a_100020586998_100000233687 [1,1,0,0,0,0|2,0,0]=4 2487 B8R0.8 C=CCNC(=O)[C@@H](C)O 240690a_100020586998_100000717761 [1,1,0,0,0,0|1,0,0]=3 2488 B8R0.8 C=CCNC(=O)[C@H](C)O 1626a_100020586998_217856618621 [1,1,0,0,0,0|1,0,0]=3 2489 B8R0.8 C=CCNC(=O)[C@H](C)O 240690a_100020586998_217856618621 [1,1,0,0,0,0|1,0,0]=3 2490 B8R0.8 CC(C)C(=O)CCC#N 1458a_100000210198_100011215226 [1,1,0,0,0,0|1,0,1]=4 2491 B8R0.8 CC(C)C(=O)CCC#N 1458a_100011934036_100000210206 [1,1,0,0,0,0|1,0,1]=4 2492 B8R0.8 CC(C)C(=O)CCCF 1458a_100000210198_100011934791 [1,1,0,0,0,0|1,0,1]=4 2493 B8R0.8 CC(C)C(=O)CCCO 1458a_100000210198_100011215043 [1,1,0,0,0,0|1,0,1]=4 2494 B8R0.8 CC(F)C(=O)CCC#N 1458a_100000062450_100011215226 [1,1,0,0,0,0|1,0,1]=4 2495 B8R0.8 CC(F)C(=O)CCCF 1458a_100000062450_100011934791 [1,1,0,0,0,0|1,0,1]=4 2496 B8R0.8 CC(F)C(=O)CCCO 1458a_100000062450_100011215043 [1,1,0,0,0,0|1,0,1]=4 2497 B8R0.8 CC=CCC(=O)C(C)C 1458a_100000210198_100000070051 [1,1,0,0,0,0|0,0,2]=4 2498 B8R0.8 CC=CCC(=O)C(C)C 1458a_100121576822_100000210206 [1,1,0,0,0,0|0,0,2]=4 2499 B8R0.8 CC=CCC(=O)C(C)F 1458a_100000062450_100000070051 [1,1,0,0,0,0|0,0,2]=4 2500 B8R0.8 CC=CCC(=O)[C@@H](C)O 1458a_100000717761_100000070051 [1,1,0,0,0,0|0,0,2]=4 2501 B8R0.8 CC=CCC(=O)[C@H](C)O 1458a_217856618621_100000070051 [1,1,0,0,0,0|0,0,2]=4 2502 B8R0.8 CCCCC(=O)C(C)C 1458a_100000210183_100000210206 [1,1,0,0,0,0|0,0,2]=4 2503 B8R0.8 CCCCC(=O)C(C)C 1458a_100000210198_100000210211 [1,1,0,0,0,0|0,0,2]=4 2504 B8R0.8 CCCCC(=O)C(C)F 1458a_100000062450_100000210211 [1,1,0,0,0,0|0,0,2]=4 2505 B8R0.8 CCCCC(=O)[C@@H](C)O 1458a_100000717761_100000210211 [1,1,0,0,0,0|0,0,2]=4 2506 B8R0.8 CCCCC(=O)[C@H](C)O 1458a_217856618621_100000210211 [1,1,0,0,0,0|0,0,2]=4 2507 B8R0.8 COCCC(=O)C(C)C 1458a_100000210198_100000233755 [1,1,0,0,0,0|1,0,1]=4 2508 B8R0.8 COCCC(=O)C(C)C 1458a_100000749529_100000210206 [1,1,0,0,0,0|1,0,1]=4 2509 B8R0.8 COCCC(=O)C(C)F 1458a_100000062450_100000233755 [1,1,0,0,0,0|1,0,1]=4 2510 B8R0.8 COCCC(=O)[C@@H](C)O 1458a_100000717761_100000233755 [1,1,0,0,0,0|1,0,1]=4 2511 B8R0.8 COCCC(=O)[C@H](C)O 1458a_217856618621_100000233755 [1,1,0,0,0,0|1,0,1]=4 2512 B8R0.8 CSCCC(=O)C(C)C 1458a_100000174002_100000210206 [1,1,0,0,0,0|1,0,1]=4 2513 B8R0.8 CSCCC(=O)C(C)C 1458a_100000210198_100000751147 [1,1,0,0,0,0|1,0,1]=4 2514 B8R0.8 CSCCC(=O)C(C)F 1458a_100000062450_100000751147 [1,1,0,0,0,0|1,0,1]=4 2515 B8R0.8 CSCCC(=O)[C@@H](C)O 1458a_100000717761_100000751147 [1,1,0,0,0,0|1,0,1]=4 2516 B8R0.8 CSCCC(=O)[C@H](C)O 1458a_217856618621_100000751147 [1,1,0,0,0,0|1,0,1]=4 2517 B8R0.8 C[C@@H](O)C(=O)CCC#N 1458a_100000717761_100011215226 [1,1,0,0,0,0|1,0,1]=4 2518 B8R0.8 C[C@@H](O)C(=O)CCCF 1458a_100000717761_100011934791 [1,1,0,0,0,0|1,0,1]=4 2519 B8R0.8 C[C@@H](O)C(=O)CCCO 1458a_100000717761_100011215043 [1,1,0,0,0,0|1,0,1]=4 2520 B8R0.8 C[C@H](O)C(=O)CCC#N 1458a_217856618621_100011215226 [1,1,0,0,0,0|1,0,1]=4 2521 B8R0.8 C[C@H](O)C(=O)CCCF 1458a_217856618621_100011934791 [1,1,0,0,0,0|1,0,1]=4 2522 B8R0.8 C[C@H](O)C(=O)CCCO 1458a_217856618621_100011215043 [1,1,0,0,0,0|1,0,1]=4 2523 B8R0.9 C#CC(=O)CCC(=C)C 1458a_100000211873_100000730704 [1,1,0,0,0,0|0,0,2]=4 2524 B8R0.9 C=C(C)CCC(=O)CC 1458a_100000210414_100000730704 [1,1,0,0,0,0|0,0,0]=2 2525 B8R0.9 C=C(C)CCC(=O)CC 1458a_200000688413_100000210202 [1,1,0,0,0,0|0,0,0]=2 2526 B8R0.9 C=C(C)CCC(=O)CF 1458a_200000688413_100015361967 [1,1,0,0,0,0|1,0,0]=3 2527 B8R0.9 C=C(C)CCC(=O)CO 1458a_100000210174_100000730704 [1,1,0,0,0,0|1,0,0]=3 2528 B8R0.9 C=C(C)CCC(=O)NC 11a_106832991635_200000688413 [1,1,0,0,0,0|1,0,0]=3 2529 B8R0.9 C=C(C)CCC(=O)NC 1626a_100102657272_200000688413 [1,1,0,0,0,0|1,0,0]=3 2530 B8R0.9 C=C(C)CCC(=O)NC 240690a_100102657272_200000688413 [1,1,0,0,0,0|1,0,0]=3 2531 B8R0.9 C=C(C)CCC(=O)NC 527a_100102657272_200000688413 [1,1,0,0,0,0|1,0,0]=3 2532 B8R0.9 C=C(C)CCN(C)CC 2230a_100000225621_100000730704 [1,1,0,0,0,0|2,0,0]=4 2533 B8R0.9 C=C(C)CCN(C)CC 269982a_100000225621_100000730704 [1,1,0,0,0,0|2,0,0]=4 2534 B8R0.9 C=C(C)CNC(=O)CC 11a_100000765925_100000210414 [1,1,0,0,0,0|1,0,0]=3 2535 B8R0.9 C=C(C)CNC(=O)CC 1626a_100000765925_100000210414 [1,1,0,0,0,0|1,0,0]=3 2536 B8R0.9 C=C(C)CNC(=O)CC 240690a_100000765925_100000210414 [1,1,0,0,0,0|1,0,0]=3 2537 B8R0.9 C=C(C)CNC(=O)CC 527a_100000765925_100000210414 [1,1,0,0,0,0|1,0,0]=3 2538 B8R0.9 C=C(C)CNC(=O)CO 240690a_100000765925_100000210174 [1,1,0,0,0,0|2,0,0]=4 2539 B8R0.9 C=C(C)CNC(=O)CO 527a_100000765925_100000210174 [1,1,0,0,0,0|2,0,0]=4 2540 B8R0.9 C=C(C)CNC(=O)NC 2708a_100000765925_106832991635 [1,1,0,0,0,0|2,0,0]=4 2541 B8R0.9 C=C(C)CNC(=O)NC 2708a_100102657272_100000765925 [1,1,0,0,0,0|2,0,0]=4 2542 B8R0.9 C=C(C)CNC(=O)NC 273464a_100000765925_100102657272 [1,1,0,0,0,0|2,0,0]=4 2543 B8R0.9 C=C(C)CNC(=O)NC 273464a_100102657272_100000765925 [1,1,0,0,0,0|2,0,0]=4 2544 B8R0.9 C=C(C)CNC(=O)NC 512a_100000765925_100102657272 [1,1,0,0,0,0|2,0,0]=4 2545 B8R0.9 C=C(C)CNC(=O)NC 512a_106832991638_100000765925 [1,1,0,0,0,0|2,0,0]=4 2546 B8R0.9 C=CC(=O)CCC(=C)C 1458a_100000185746_100000730704 [1,1,0,0,0,0|0,0,2]=4 2547 B8R0.9 CCC(=O)CC=C(C)C 1458a_100000210414_100000761012 [1,1,0,0,0,0|0,0,2]=4 2548 B8R0.9 CCC(=O)CC=C(C)C 1458a_100011220947_100000210202 [1,1,0,0,0,0|0,0,2]=4 2549 B8R0.9 CCC(=O)CCC(=O)N 1458a_100011215257_100000210202 [1,1,0,0,0,0|1,0,0]=3 2550 B8R0.9 CCC(=O)CCC(C)C 1458a_100000181311_100000210202 [1,1,0,0,0,0|0,0,2]=4 2551 B8R0.9 CCC(=O)CCC(C)C 1458a_100000210414_100000210312 [1,1,0,0,0,0|0,0,2]=4 2552 B8R0.9 CCC(=O)CCC(C)O 1458a_100000210414_100012276601 [1,1,0,0,0,0|0,0,2]=4 2553 B8R0.9 CCC(=O)CC[N+](=O)[O-] 1458a_200000064761_100000210202 [1,1,0,0,0,0|2,0,0]=4 2554 B8R0.9 CCC(=O)CC[S+](C)C 1458a_100009452791_100000210202 [1,1,0,0,0,0|1,0,1]=4 2555 B8R0.9 CCC(=O)CNC(=O)C 1458a_100000194580_100000210202 [1,1,0,0,0,0|1,0,1]=4 2556 B8R0.9 CCC(=O)CNC(=O)N 1458a_100000184981_100000210202 [1,1,0,0,0,0|2,0,0]=4 2557 B8R0.9 CCC(=O)COC(=O)C 1458a_100000183556_100000210202 [1,1,0,0,0,0|1,0,1]=4 2558 B8R0.9 CCC(=O)CSC(=O)C 1458a_100000049016_100000210202 [1,1,0,0,0,0|1,0,1]=4 2559 B8R0.9 CCC(=O)NCC(=O)C 1458a_100000194589_200000210301 [1,1,0,0,0,0|1,0,1]=4 2560 B8R0.9 CCC(=O)NCC(=O)N 11a_100000711301_100000210414 [1,1,0,0,0,0|2,0,0]=4 2561 B8R0.9 CCC(=O)NCC(=O)N 240690a_100000711301_100000210414 [1,1,0,0,0,0|2,0,0]=4 2562 B8R0.9 CCC(=O)NCC(=O)N 527a_100000711301_100000210414 [1,1,0,0,0,0|2,0,0]=4 2563 B8R0.9 CCC(=O)NCC(=O)[13CH3] 1458a_100000194589_200025704644 [1,1,0,0,0,0|1,0,1]=4 2564 B8R0.9 CCS(=O)CCC(=O)C 1458a_100011387550_200000210301 [1,1,0,0,0,0|1,0,1]=4 2565 B8R0.9 CCS(=O)CCC(=O)[13CH3] 1458a_100011387550_200025704644 [1,1,0,0,0,0|1,0,1]=4 2566 B8R0.9 CNC(=O)CCC(=O)C 1458a_100011309844_200000210301 [1,1,0,0,0,0|1,0,1]=4 2567 B8R0.9 CNC(=O)CCC(=O)N 240690a_100102657272_100011215257 [1,1,0,0,0,0|2,0,0]=4 2568 B8R0.9 CNC(=O)CCC(=O)N 527a_100102657272_100011215257 [1,1,0,0,0,0|2,0,0]=4 2569 B8R0.9 CNC(=O)CCC(=O)[13CH3] 1458a_100011309844_200025704644 [1,1,0,0,0,0|1,0,1]=4 2570 B8R0.9 COC(=O)CCC(=O)C 1458a_100000187943_200000210301 [1,1,0,0,0,0|0,0,1]=3 2571 B8R0.9 COC(=O)CCC(=O)[13CH3] 1458a_100000187943_200025704644 [1,1,0,0,0,0|0,0,1]=3 2572 B8R0.9 COC(=O)CCN(C)C 2230a_100102631434_100000204255 [1,1,0,0,0,0|1,0,1]=4 2573 B8R0.9 COC(=O)CCN(C)C 269982a_100025711912_200000210301 [1,1,0,0,0,0|1,0,1]=4 2574 B8R0.9 COC(=O)CCN(C)C 269982a_100102631434_100000204255 [1,1,0,0,0,0|1,0,1]=4 2575 B8R0.9 COC(=O)CCN(C)[13CH3] 269982a_100025711912_200025704644 [1,1,0,0,0,0|1,0,1]=4 2576 B8R0.9 COC(=O)CNC(=O)C 188690a_100000185156_100015343762 [1,1,0,0,0,0|1,0,1]=4 2577 B8R0.9 COC(=O)NCC(=O)C 1458a_100000215747_200000210301 [1,1,0,0,0,0|1,0,1]=4 2578 B8R0.9 COC(=O)NCC(=O)[13CH3] 1458a_100000215747_200025704644 [1,1,0,0,0,0|1,0,1]=4 2579 B8R0.9 NC(=O)CCC(=O)CF 1458a_100011215257_100015361967 [1,1,0,0,0,0|2,0,0]=4 2580 B8R0.11 C=CCCN(CC)CC 2230a_100000724800_100000754431 [1,1,0,0,0,0|2,0,0]=4 2581 B8R0.11 C=CCCN(CC)CC 269956a_100000042499_100000754431 [1,1,0,0,0,0|2,0,0]=4 2582 B8R0.11 C=CCCN(CC)CC 269982a_100000724800_100000754431 [1,1,0,0,0,0|2,0,0]=4 2583 B8R0.19 C=CC(=O)CC(=O)CC 1458a_100000185746_100000747405 [1,1,0,0,0,0|0,0,1]=3 2584 B8R0.19 C=CC(=O)CC(=O)NC 1458a_100000185746_100000183359 [1,1,0,0,0,0|1,0,1]=4 2585 B8R0.19 C=CC(=O)CC(=O)OC 1458a_100000185746_100000747449 [1,1,0,0,0,0|0,0,1]=3 2586 B8R0.19 C=CC(C)CC(=O)CC 1458a_100011934298_100000210202 [1,1,0,0,0,0|0,0,0]=2 2587 B8R0.19 C=CC(C)CC(=O)CF 1458a_100011934298_100015361967 [1,1,0,0,0,0|1,0,0]=3 2588 B8R0.19 C=CC(C)CC(=O)NC 11a_106832991635_100011934298 [1,1,0,0,0,0|1,0,0]=3 2589 B8R0.19 C=CC(C)CC(=O)NC 1626a_100102657272_100011934298 [1,1,0,0,0,0|1,0,0]=3 2590 B8R0.19 C=CC(C)CC(=O)NC 240690a_100102657272_100011934298 [1,1,0,0,0,0|1,0,0]=3 2591 B8R0.19 C=CC(C)CC(=O)NC 527a_100102657272_100011934298 [1,1,0,0,0,0|1,0,0]=3 2592 B8R0.19 C=CC(O)CN(C)CC 2230a_100000225621_100000730141 [1,1,0,0,0,0|2,0,0]=4 2593 B8R0.19 CCC(=O)CC(C)CC 1458a_100000210414_100000748023 [1,1,0,0,0,0|0,0,2]=4 2594 B8R0.19 CCC(=O)CC(C)CC 1458a_100000708755_100000210202 [1,1,0,0,0,0|0,0,2]=4 2595 B8R0.19 CCC(=O)CC(O)CC 1458a_100000210414_100011218378 [1,1,0,0,0,0|0,0,2]=4 2596 B8R0.19 CCC(=O)CC(O)CC 1458a_100011667805_100000210202 [1,1,0,0,0,0|0,0,2]=4 2597 B8R0.19 CCC(=O)C[C@@H](C)CC 1458a_100000210414_100009816398 [1,1,0,0,0,0|0,0,2]=4 2598 B8R0.19 CCC(=O)C[C@@H](C)CO 1458a_100000210414_100000059175 [1,1,0,0,0,0|1,0,1]=4 2599 B8R0.19 CNC(C)CC(=O)OC 2230a_106832991635_100009817358 [1,1,0,0,0,0|1,0,1]=4 2600 B8R0.19 CNC(C)CC(=O)OC 34a_100102657272_100009817358 [1,1,0,0,0,0|1,0,1]=4 2601 B8R0.19 CNC(C)CC(=O)OC 7a_106832991635_100009817358 [1,1,0,0,0,0|1,0,1]=4 2602 B8R0.19 COC(=O)CC(C)OC 34a_100138415774_100009817358 [1,1,0,0,0,0|1,0,1]=4 2603 B8R0.19 COC(=O)CC(C)SC 62a_100009817358_200000210301 [1,1,0,0,0,0|1,0,1]=4 2604 B8R0.19 COC(=O)CC(C)SC 62a_200000210301_100009817358 [1,1,0,0,0,0|1,0,1]=4 2605 B8R0.19 COC(=O)CC(C)S[13CH3] 62a_100009817358_200025704644 [1,1,0,0,0,0|1,0,1]=4 2606 B8R0.19 COC(=O)CC(C)S[13CH3] 62a_200025704644_100009817358 [1,1,0,0,0,0|1,0,1]=4 2607 B8R0.25 C=CCNS(=O)(=O)CC 270084a_100020586998_100000211323 [1,1,0,0,0,0|2,0,0]=4 2608 B8R0.25 C=CCNS(=O)(=O)CC 274078a_100020586998_100000211323 [1,1,0,0,0,0|2,0,0]=4 2609 B8R0.25 C=CCNS(=O)(=O)CC 40a_100020586998_100000053943 [1,1,0,0,0,0|2,0,0]=4 2610 B8R0.5 C=C(C)CC(=O)C#CC 1458a_100000763181_100000748629 [1,1,0,0,0,0|1,0,1]=4 2611 B8R0.5 C=C(C)CC(=O)C=CC 1458a_100000210699_100000748629 [1,1,0,0,0,0|1,0,1]=4 2612 B8R0.5 C=C(C)CC(=O)CCC 1458a_100000211992_100000748629 [1,1,0,0,0,0|1,0,0]=3 2613 B8R0.5 C=C(C)CC(=O)CCO 1458a_100011216618_100000748629 [1,1,0,0,0,0|2,0,0]=4 2614 B8R0.5 C=C(C)CC(=O)COC 1458a_100000210968_100000748629 [1,1,0,0,0,0|2,0,0]=4 2615 B8R0.5 C=C(C)CC(=O)CSC 1458a_100000184570_100000748629 [1,1,0,0,0,0|2,0,0]=4 2616 B8R0.5 C=C(F)CC(=O)C#CC 1458a_100000763181_100009893438 [1,1,0,0,0,0|1,0,1]=4 2617 B8R0.5 C=C(F)CC(=O)C=CC 1458a_100000210699_100009893438 [1,1,0,0,0,0|1,0,1]=4 2618 B8R0.5 C=C(F)CC(=O)CCC 1458a_100000211992_100009893438 [1,1,0,0,0,0|1,0,0]=3 2619 B8R0.5 C=C(F)CC(=O)CCO 1458a_100011216618_100009893438 [1,1,0,0,0,0|2,0,0]=4 2620 B8R0.5 C=C(F)CC(=O)COC 1458a_100000210968_100009893438 [1,1,0,0,0,0|2,0,0]=4 2621 B8R0.5 C=C(F)CC(=O)CSC 1458a_100000184570_100009893438 [1,1,0,0,0,0|2,0,0]=4 2622 B8R0.5 C=CCC(=O)C=C(C)C 1458a_100000211388_100000210623 [1,1,0,0,0,0|1,0,1]=4 2623 B8R0.5 C=CCC(=O)C=C(C)Cl 1458a_200042562850_100000210623 [1,1,0,0,0,0|1,0,1]=4 2624 B8R0.5 C=CCC(=O)C=C(C)I 1458a_100025716642_100000210623 [1,1,0,0,0,0|1,0,1]=4 2625 B8R0.5 C=CCC(=O)CC(=C)C 1458a_100000210193_100000748629 [1,1,0,0,0,0|1,0,1]=4 2626 B8R0.5 C=CCC(=O)CC(C)C 1458a_100000210193_100000210624 [1,1,0,0,0,0|1,0,0]=3 2627 B8R0.5 C=CCC(=O)CC(C)C 1458a_100000210554_100000210623 [1,1,0,0,0,0|1,0,0]=3 2628 B8R0.5 C=CCC(=O)CC(C)O 1458a_100000210193_100011218427 [1,1,0,0,0,0|1,0,0]=3 2629 B8R0.5 C=CCC(=O)CC(F)F 1458a_100000210193_100011934356 [1,1,0,0,0,0|2,0,0]=4 2630 B8R0.5 C=CCC(=O)CN(C)C 1458a_100000750896_100000210623 [1,1,0,0,0,0|2,0,0]=4 2631 B8R0.5 C=CCC(=O)C[C@@H](C)O 1458a_100011933948_100000210623 [1,1,0,0,0,0|1,0,0]=3 2632 B8R0.5 C=CCC(=O)C[S+](C)C 1458a_200159257847_100000210623 [1,1,0,0,0,0|2,0,0]=4 2633 B8R0.5 C=CCC(=O)NC(C)C 11a_100138425928_100000210193 [1,1,0,0,0,0|1,0,0]=3 2634 B8R0.5 C=CCC(=O)NC(C)C 1626a_100138425928_100000210193 [1,1,0,0,0,0|1,0,0]=3 2635 B8R0.5 C=CCC(=O)NC(C)C 240690a_100138425928_100000210193 [1,1,0,0,0,0|1,0,0]=3 2636 B8R0.5 C=CCC(=O)NC(C)C 527a_100138425928_100000210193 [1,1,0,0,0,0|1,0,0]=3 2637 B8R0.5 C=CC[C@@H](C)OC(C)C 34a_100000731007_100000210206 [1,1,0,0,0,0|1,0,1]=4 2638 B8R0.5 C=CC[C@@H](C)OC(C)C 7a_100000731007_100000210206 [1,1,0,0,0,0|1,0,1]=4 2639 B8R0.5 CC(C)CC(=O)CCF 1458a_100000210554_100011217306 [1,1,0,0,0,0|2,0,0]=4 2640 B8R0.5 CC(C)CC(=O)CCO 1458a_100000210554_100000211926 [1,1,0,0,0,0|2,0,0]=4 2641 B8R0.5 CC(C)CC(=O)CCO 1458a_100011216618_100000210624 [1,1,0,0,0,0|2,0,0]=4 2642 B8R0.5 CC(C)NC(=O)CCO 240690a_100138425928_100011216618 [1,1,0,0,0,0|2,0,0]=4 2643 B8R0.5 CC(C)OC(=O)CS[13CH3] 62a_100011215430_200025704644 [1,1,0,0,0,0|1,0,1]=4 2644 B8R0.5 CC(C)OC(=O)CS[13CH3] 62a_200025704644_100011215430 [1,1,0,0,0,0|1,0,1]=4 2645 B8R0.5 CC(O)CC(=O)CCO 1458a_100011216618_100011218427 [1,1,0,0,0,0|2,0,0]=4 2646 B8R0.5 CCCC(=O)CC(=O)C 1458a_100000070787_100000747444 [1,1,0,0,0,0|1,0,1]=4 2647 B8R0.5 CCCC(=O)CC(=O)N 1458a_100000211992_100000187820 [1,1,0,0,0,0|2,0,0]=4 2648 B8R0.5 CCCC(=O)CC(=O)N 1458a_100134613110_100000210303 [1,1,0,0,0,0|2,0,0]=4 2649 B8R0.5 CCCC(=O)CC(=O)[O-] 1458a_100000211992_100020667443 [1,1,0,0,0,0|2,0,0]=4 2650 B8R0.5 CCCC(=O)CC(C)C 1458a_100000210554_100000210303 [1,1,0,0,0,0|1,0,1]=4 2651 B8R0.5 CCCC(=O)CC(C)C 1458a_100000211992_100000210624 [1,1,0,0,0,0|1,0,1]=4 2652 B8R0.5 CCCC(=O)CC(C)O 1458a_100000211992_100011218427 [1,1,0,0,0,0|1,0,1]=4 2653 B8R0.5 CCCC(=O)CC(F)F 1458a_100000211992_100011934356 [1,1,0,0,0,0|2,0,0]=4 2654 B8R0.5 CCCC(=O)C[C@@H](C)O 1458a_100011933948_100000210303 [1,1,0,0,0,0|1,0,1]=4 2655 B8R0.5 CCCC(=O)NC(C)C 11a_100138425928_100000211992 [1,1,0,0,0,0|1,0,1]=4 2656 B8R0.5 CCCC(=O)NC(C)C 1626a_100138425928_100000211992 [1,1,0,0,0,0|1,0,1]=4 2657 B8R0.5 CCCC(=O)NC(C)C 240690a_100138425928_100000211992 [1,1,0,0,0,0|1,0,1]=4 2658 B8R0.5 CCCC(=O)NC(C)C 527a_100138425928_100000211992 [1,1,0,0,0,0|1,0,1]=4 2659 B8R0.5 CCNC(=O)CC(=O)C 1458a_100000070787_100000183381 [1,1,0,0,0,0|1,0,1]=4 2660 B8R0.5 CCNC(=O)CC(=O)N 240690a_100015525214_100134613110 [1,1,0,0,0,0|2,0,0]=4 2661 B8R0.5 CCNC(=O)CC(=O)N 527a_100015525214_100134613110 [1,1,0,0,0,0|2,0,0]=4 2662 B8R0.5 CCNC(=O)CC(C)C 11a_100015525214_100000210554 [1,1,0,0,0,0|1,0,1]=4 2663 B8R0.5 CCNC(=O)CC(C)C 240690a_100015525214_100000210554 [1,1,0,0,0,0|1,0,1]=4 2664 B8R0.5 CCNC(=O)CC(C)C 527a_100015525214_100000210554 [1,1,0,0,0,0|1,0,1]=4 2665 B8R0.5 CCNC(=O)C[C@@H](C)O 240690a_100015525214_100011933948 [1,1,0,0,0,0|1,0,1]=4 2666 B8R0.5 CCOC(=O)CC(=O)C 1458a_100000070787_100000188475 [1,1,0,0,0,0|0,0,1]=3 2667 B8R0.5 CCOC(=O)CC(=O)C 1458a_100000243816_200000210301 [1,1,0,0,0,0|0,0,1]=3 2668 B8R0.5 CCOC(=O)CC(=O)[13CH3] 1458a_100000243816_200025704644 [1,1,0,0,0,0|0,0,1]=3 2669 B8R0.5 CCOC(=O)CN(C)C 2230a_100000220588_200000210301 [1,1,0,0,0,0|1,0,1]=4 2670 B8R0.5 CCOC(=O)CN(C)C 2230a_100102631434_100000188475 [1,1,0,0,0,0|1,0,1]=4 2671 B8R0.5 CCOC(=O)CN(C)C 269982a_100102631434_100000188475 [1,1,0,0,0,0|1,0,1]=4 2672 B8R0.5 CCOC(=O)CN(C)[13CH3] 2230a_100000220588_200025704644 [1,1,0,0,0,0|1,0,1]=4 2673 B8R0.5 CNCC(=O)OC(C)C 2230a_106832991635_100011215430 [1,1,0,0,0,0|1,0,1]=4 2674 B8R0.5 CNCC(=O)OC(C)C 34a_100102657272_100011215430 [1,1,0,0,0,0|1,0,1]=4 2675 B8R0.5 CNCC(=O)OC(C)C 7a_106832991635_100011215430 [1,1,0,0,0,0|1,0,1]=4 2676 B8R0.5 COCC(=O)OC(C)C 34a_100138415774_100011215430 [1,1,0,0,0,0|1,0,1]=4 2677 B8R0.5 CSCC(=O)OC(C)C 62a_100011215430_200000210301 [1,1,0,0,0,0|1,0,1]=4 2678 B8R0.5 CSCC(=O)OC(C)C 62a_200000210301_100011215430 [1,1,0,0,0,0|1,0,1]=4 2679 B8R0.5 C[C@@H](O)CC(=O)CCF 1458a_100011933948_100011217306 [1,1,0,0,0,0|2,0,0]=4 2680 B8R0.5 C[C@@H](O)CC(=O)CCO 1458a_100011933948_100000211926 [1,1,0,0,0,0|2,0,0]=4 2681 B8R0.22 C=CCC(C=C)OCC 34a_100000038011_100000210202 [1,1,0,0,0,0|1,0,1]=4 2682 B8R0.22 C=CCC(C=C)OCC 7a_100000038011_100000210202 [1,1,0,0,0,0|1,0,1]=4 2683 B8R0.30 C=CCC(C)(C)OCC 7a_100011995686_100000210202 [1,1,0,0,0,0|1,0,1]=4 2684 B8R0.30 C=CCS(=O)(=O)NCC 270084a_100015525214_100000751117 [1,1,0,0,0,0|2,0,0]=4 2685 B8R0.30 C=CCS(=O)(=O)NCC 274078a_100015525214_100000751117 [1,1,0,0,0,0|2,0,0]=4 2686 B10R0.6 C#CCNCC(=O)OC(C)C 34a_100000212058_100011215430 [0,2,0,0,0,0|0,0,2]=4 2687 B10R0.6 C#CCOCC(=O)OC(C)C 34a_100000210247_100011215430 [0,2,0,0,0,0|0,0,2]=4 2688 B10R0.6 C#CCSCC(=O)OC(C)C 62a_100000038162_100011215430 [0,2,0,0,0,0|0,0,2]=4 2689 B10R0.6 C=CCCCC(=O)C=C(C)C 1458a_100000211388_100000757094 [0,2,0,0,0,0|1,0,1]=4 2690 B10R0.6 C=CCCCC(=O)C=C(C)Cl 1458a_200042562850_100000757094 [0,2,0,0,0,0|1,0,1]=4 2691 B10R0.6 C=CCCCC(=O)C=C(C)I 1458a_100025716642_100000757094 [0,2,0,0,0,0|1,0,1]=4 2692 B10R0.6 C=CCCCC(=O)CC(=C)C 1458a_100000766728_100000748629 [0,2,0,0,0,0|1,0,1]=4 2693 B10R0.6 C=CCCCC(=O)CC(C)C 1458a_100000210554_100000757094 [0,2,0,0,0,0|1,0,0]=3 2694 B10R0.6 C=CCCCC(=O)CC(C)C 1458a_100000766728_100000210624 [0,2,0,0,0,0|1,0,0]=3 2695 B10R0.6 C=CCCCC(=O)CC(C)O 1458a_100000766728_100011218427 [0,2,0,0,0,0|1,0,0]=3 2696 B10R0.6 C=CCCCC(=O)CC(F)F 1458a_100000766728_100011934356 [0,2,0,0,0,0|2,0,0]=4 2697 B10R0.6 C=CCCCC(=O)CN(C)C 1458a_100000750896_100000757094 [0,2,0,0,0,0|2,0,0]=4 2698 B10R0.6 C=CCCCC(=O)C[C@@H](C)O 1458a_100011933948_100000757094 [0,2,0,0,0,0|1,0,0]=3 2699 B10R0.6 C=CCCCC(=O)C[S+](C)C 1458a_200159257847_100000757094 [0,2,0,0,0,0|2,0,0]=4 2700 B10R0.6 C=CCCCC(=O)NC(C)C 11a_100138425928_100000766728 [0,2,0,0,0,0|1,0,0]=3 2701 B10R0.6 C=CCCCC(=O)NC(C)C 1626a_100138425928_100000766728 [0,2,0,0,0,0|1,0,0]=3 2702 B10R0.6 C=CCCCC(=O)NC(C)C 240690a_100138425928_100000766728 [0,2,0,0,0,0|1,0,0]=3 2703 B10R0.6 C=CCCCC(=O)NC(C)C 527a_100138425928_100000766728 [0,2,0,0,0,0|1,0,0]=3 2704 B10R0.6 C=CCCNC(=O)C=C(C)C 11a_100015191253_100000211388 [0,2,0,0,0,0|1,0,1]=4 2705 B10R0.6 C=CCCNC(=O)C=C(C)C 1626a_100015191253_100000211388 [0,2,0,0,0,0|1,0,1]=4 2706 B10R0.6 C=CCCNC(=O)C=C(C)C 240690a_100015191253_100000211388 [0,2,0,0,0,0|1,0,1]=4 2707 B10R0.6 C=CCCNC(=O)C=C(C)Cl 11a_100015191253_200042562850 [0,2,0,0,0,0|1,0,1]=4 2708 B10R0.6 C=CCCNC(=O)C=C(C)Cl 1626a_100015191253_200042562850 [0,2,0,0,0,0|1,0,1]=4 2709 B10R0.6 C=CCCNC(=O)C=C(C)Cl 240690a_100015191253_200042562850 [0,2,0,0,0,0|1,0,1]=4 2710 B10R0.6 C=CCCNC(=O)C=C(C)I 11a_100015191253_100025716642 [0,2,0,0,0,0|1,0,1]=4 2711 B10R0.6 C=CCCNC(=O)C=C(C)I 1626a_100015191253_100025716642 [0,2,0,0,0,0|1,0,1]=4 2712 B10R0.6 C=CCCNC(=O)CC(C)C 11a_100015191253_100000210554 [0,2,0,0,0,0|1,0,0]=3 2713 B10R0.6 C=CCCNC(=O)CC(C)C 1626a_100015191253_100000210554 [0,2,0,0,0,0|1,0,0]=3 2714 B10R0.6 C=CCCNC(=O)CC(C)C 240690a_100015191253_100000210554 [0,2,0,0,0,0|1,0,0]=3 2715 B10R0.6 C=CCCNC(=O)CC(C)C 527a_100015191253_100000210554 [0,2,0,0,0,0|1,0,0]=3 2716 B10R0.6 C=CCCNC(=O)CN(C)C 11a_100015191253_100000750896 [0,2,0,0,0,0|2,0,0]=4 2717 B10R0.6 C=CCCNC(=O)CN(C)C 240690a_100015191253_100000750896 [0,2,0,0,0,0|2,0,0]=4 2718 B10R0.6 C=CCCNC(=O)CN(C)C 527a_100015191253_100000750896 [0,2,0,0,0,0|2,0,0]=4 2719 B10R0.6 C=CCCNC(=O)C[C@@H](C)O 240690a_100015191253_100011933948 [0,2,0,0,0,0|1,0,0]=3 2720 B10R0.6 C=CCCNC(=O)C[S+](C)C 11a_100015191253_200159257847 [0,2,0,0,0,0|2,0,0]=4 2721 B10R0.6 C=CCCNC(=O)C[S+](C)C 1626a_100015191253_200159257847 [0,2,0,0,0,0|2,0,0]=4 2722 B10R0.6 C=CCCNC(=O)C[S+](C)C 240690a_100015191253_200159257847 [0,2,0,0,0,0|2,0,0]=4 2723 B10R0.6 C=CCCNC(=O)C[S+](C)C 527a_100015191253_200159257847 [0,2,0,0,0,0|2,0,0]=4 2724 B10R0.6 C=CCCNC(=O)NC(C)C 2708a_100015191253_100138425928 [0,2,0,0,0,0|1,0,0]=3 2725 B10R0.6 C=CCCNC(=O)NC(C)C 2708a_100138425928_100015191253 [0,2,0,0,0,0|1,0,0]=3 2726 B10R0.6 C=CCCNC(=O)NC(C)C 273464a_100138425928_100015191253 [0,2,0,0,0,0|1,0,0]=3 2727 B10R0.6 C=CCCNC(=O)NC(C)C 512a_100015191253_100138425928 [0,2,0,0,0,0|1,0,0]=3 2728 B10R0.6 C=CCCNC(=O)NC(C)C 512a_100138425928_100015191253 [0,2,0,0,0,0|1,0,0]=3 2729 B10R0.6 C=CCNCC(=O)NC(C)C 2230a_100000168517_100000210623 [0,2,0,0,0,0|1,0,0]=3 2730 B10R0.6 C=CCNCC(=O)NC(C)C 2230a_100020586998_100000183996 [0,2,0,0,0,0|1,0,0]=3 2731 B10R0.6 C=CCNCC(=O)OC(C)C 2230a_100020586998_100011215430 [0,2,0,0,0,0|0,0,0]=2 2732 B10R0.6 C=CCNNC(=O)CC(C)C 22a_100020588587_100000210554 [0,2,0,0,0,0|2,0,0]=4 2733 B10R0.6 C=CCNNC(=O)C[C@@H](C)O 22a_100020588587_100011933948 [0,2,0,0,0,0|2,0,0]=4 2734 B10R0.6 C=CCNNC(=O)NC(C)C 273464a_100138425928_100020588587 [0,2,0,0,0,0|2,0,0]=4 2735 B10R0.6 C=CCNNC(=O)NC(C)C 512a_100020588587_100138425928 [0,2,0,0,0,0|2,0,0]=4 2736 B10R0.6 C=CCNNC(=O)NC(C)C 512a_100138425928_100020588587 [0,2,0,0,0,0|2,0,0]=4 2737 B10R0.6 C=CCOCC(=O)NC(C)C 34a_200000210373_100000183996 [0,2,0,0,0,0|1,0,0]=3 2738 B10R0.6 C=CCOCC(=O)OC(C)C 34a_200000210373_100011215430 [0,2,0,0,0,0|0,0,0]=2 2739 B10R0.6 C=CCSCC(=O)CC(=C)C 1458a_100000230395_100000748629 [0,2,0,0,0,0|1,0,1]=4 2740 B10R0.6 C=CCSCC(=O)CC(C)C 1458a_100000230395_100000210624 [0,2,0,0,0,0|1,0,0]=3 2741 B10R0.6 C=CCSCC(=O)CC(C)O 1458a_100000230395_100011218427 [0,2,0,0,0,0|1,0,0]=3 2742 B10R0.6 C=CCSCC(=O)CC(F)F 1458a_100000230395_100011934356 [0,2,0,0,0,0|2,0,0]=4 2743 B10R0.6 C=CCSCC(=O)NC(=O)C 62a_100000210623_100000183797 [0,2,0,0,0,0|1,0,1]=4 2744 B10R0.6 C=CCSCC(=O)NC(C)C 11a_100138425928_100000230395 [0,2,0,0,0,0|1,0,0]=3 2745 B10R0.6 C=CCSCC(=O)NC(C)C 1626a_100138425928_100000230395 [0,2,0,0,0,0|1,0,0]=3 2746 B10R0.6 C=CCSCC(=O)NC(C)C 240690a_100138425928_100000230395 [0,2,0,0,0,0|1,0,0]=3 2747 B10R0.6 C=CCSCC(=O)NC(C)C 527a_100138425928_100000230395 [0,2,0,0,0,0|1,0,0]=3 2748 B10R0.6 C=CCSCC(=O)NC(C)C 62a_100000183996_100000210623 [0,2,0,0,0,0|1,0,0]=3 2749 B10R0.6 C=CCSCC(=O)NC(C)C 62a_100000210623_100000183996 [0,2,0,0,0,0|1,0,0]=3 2750 B10R0.6 C=CCSCC(=O)OC(C)C 62a_100000210623_100011215430 [0,2,0,0,0,0|0,0,0]=2 2751 B10R0.6 C=CCSCC(=O)OC(C)C 62a_100011215430_100000210623 [0,2,0,0,0,0|0,0,0]=2 2752 B10R0.6 C=COCCC(=O)C=C(C)C 1458a_100000211388_100000039644 [0,2,0,0,0,0|1,0,1]=4 2753 B10R0.6 C=COCCC(=O)C=C(C)Cl 1458a_200042562850_100000039644 [0,2,0,0,0,0|1,0,1]=4 2754 B10R0.6 C=COCCC(=O)C=C(C)I 1458a_100025716642_100000039644 [0,2,0,0,0,0|1,0,1]=4 2755 B10R0.6 C=COCCC(=O)CC(C)C 1458a_100000210554_100000039644 [0,2,0,0,0,0|1,0,0]=3 2756 B10R0.6 C=COCCC(=O)CN(C)C 1458a_100000750896_100000039644 [0,2,0,0,0,0|2,0,0]=4 2757 B10R0.6 C=COCCC(=O)C[C@@H](C)O 1458a_100011933948_100000039644 [0,2,0,0,0,0|1,0,0]=3 2758 B10R0.6 C=COCCC(=O)C[S+](C)C 1458a_200159257847_100000039644 [0,2,0,0,0,0|2,0,0]=4 2759 B10R0.6 CC(C)NC(=O)CNCC=O 2230a_100000168517_200015260668 [0,2,0,0,0,0|2,0,0]=4 2760 B10R0.6 CC(C)NC(=O)CSCC=O 62a_100000183996_200015260668 [0,2,0,0,0,0|2,0,0]=4 2761 B10R0.6 CC(C)NC(=O)CSCC=O 62a_200015260668_100000183996 [0,2,0,0,0,0|2,0,0]=4 2762 B10R0.6 CC(C)OC(=O)CCSCF 62a_100000760027_100015361967 [0,2,0,0,0,0|1,0,1]=4 2763 B10R0.6 CC(C)OC(=O)CCSCF 62a_100015361967_100000760027 [0,2,0,0,0,0|1,0,1]=4 2764 B10R0.6 CC(C)OC(=O)CNCCF 34a_100000724931_100011215430 [0,2,0,0,0,0|1,0,1]=4 2765 B10R0.6 CC(C)OC(=O)CNCCO 2230a_100016997473_100011215430 [0,2,0,0,0,0|1,0,1]=4 2766 B10R0.6 CC(C)OC(=O)CNCCO 34a_100016990907_100011215430 [0,2,0,0,0,0|1,0,1]=4 2767 B10R0.6 CC(C)OC(=O)COCCBr 34a_100000211926_100011215430 [0,2,0,0,0,0|1,0,1]=4 2768 B10R0.6 CC(C)OC(=O)COCCN 34a_100000210304_100011215430 [0,2,0,0,0,0|1,0,1]=4 2769 B10R0.6 CC(C)OC(=O)CSCC#N 62a_100011215382_100011215430 [0,2,0,0,0,0|1,0,1]=4 2770 B10R0.6 CC(C)OC(=O)CSCC#N 62a_100011215430_100011215382 [0,2,0,0,0,0|1,0,1]=4 2771 B10R0.6 CC(C)OC(=O)CSCC=O 62a_100011215430_200015260668 [0,2,0,0,0,0|1,0,0]=3 2772 B10R0.6 CC(C)OC(=O)CSCC=O 62a_200015260668_100011215430 [0,2,0,0,0,0|1,0,0]=3 2773 B10R0.6 CC(C)OC(=O)CSCCF 62a_100011215430_100011217306 [0,2,0,0,0,0|1,0,1]=4 2774 B10R0.6 CC(C)OC(=O)CSCCF 62a_100011217306_100011215430 [0,2,0,0,0,0|1,0,1]=4 2775 B10R0.6 CC(C)OC(=O)CSCCO 62a_100000211926_100011215430 [0,2,0,0,0,0|1,0,1]=4 2776 B10R0.6 CC(C)OC(=O)CSCCO 62a_100011215430_100000211926 [0,2,0,0,0,0|1,0,1]=4 2777 B10R0.6 CCCOCC(=O)OC(C)C 34a_100000210258_100011215430 [0,2,0,0,0,0|0,0,2]=4 2778 B10R0.6 CCCSCC(=O)OC(C)C 62a_100000210303_100011215430 [0,2,0,0,0,0|0,0,2]=4 2779 B10R0.6 CCCSCC(=O)OC(C)C 62a_100011215430_100000210303 [0,2,0,0,0,0|0,0,2]=4 2780 B10R0.6 CCNCCC(=O)OC(C)C 2230a_100015525214_100000760027 [0,2,0,0,0,0|0,0,2]=4 2781 B10R0.6 CCSCCC(=O)OC(C)C 62a_100000210202_100000760027 [0,2,0,0,0,0|0,0,2]=4 2782 B10R0.6 CCSCCC(=O)OC(C)C 62a_100000760027_100000210202 [0,2,0,0,0,0|0,0,2]=4 2783 B10R0.6 COCSCC(=O)OC(C)C 62a_100000766300_100011215430 [0,2,0,0,0,0|1,0,1]=4 2784 B10R0.6 COCSCC(=O)OC(C)C 62a_100011215430_100000766300 [0,2,0,0,0,0|1,0,1]=4 2785 B10R0.6 CSCSCC(=O)OC(C)C 62a_100011215430_100011218213 [0,2,0,0,0,0|1,0,1]=4 2786 B10R0.6 CSCSCC(=O)OC(C)C 62a_100011218213_100011215430 [0,2,0,0,0,0|1,0,1]=4 2787 B10R0.18 C#CC(C)NC(=O)CCC=C 11a_100000707721_100000749702 [0,2,0,0,0,0|1,0,0]=3 2788 B10R0.18 C#CC(C)NC(=O)CCC=C 1626a_100000707721_100000749702 [0,2,0,0,0,0|1,0,0]=3 2789 B10R0.18 C#CC(C)NC(=O)CCC=C 240690a_100000707721_100000749702 [0,2,0,0,0,0|1,0,0]=3 2790 B10R0.18 C#CC(C)NC(=O)CCC=C 527a_100000707721_100000749702 [0,2,0,0,0,0|1,0,0]=3 2791 B10R0.18 C#CC(C)NC(=O)NCC=C 2708a_100000707721_100020586998 [0,2,0,0,0,0|2,0,0]=4 2792 B10R0.18 C#CC(C)NC(=O)NCC=C 273464a_100000707721_100020586998 [0,2,0,0,0,0|2,0,0]=4 2793 B10R0.18 C#CC(C)NC(=O)NCC=C 273464a_100020586998_100000707721 [0,2,0,0,0,0|2,0,0]=4 2794 B10R0.18 C#CC(C)NC(=O)NCC=C 512a_100000707721_100020586998 [0,2,0,0,0,0|2,0,0]=4 2795 B10R0.18 C#CC(C)NC(=O)NCC=C 512a_100020586998_100000707721 [0,2,0,0,0,0|2,0,0]=4 2796 B10R0.18 C#CC(C)OC(C)CCC=C 34a_100000765329_200000035995 [0,2,0,0,0,0|1,0,1]=4 2797 B10R0.18 C#CCCC(=O)CC(C)C=C 1458a_100011934298_100000753159 [0,2,0,0,0,0|1,0,1]=4 2798 B10R0.18 C#CCNC(=O)CC(C)C=C 11a_100000212058_100011934298 [0,2,0,0,0,0|1,0,1]=4 2799 B10R0.18 C#CCNC(=O)CC(C)C=C 1626a_100000212058_100011934298 [0,2,0,0,0,0|1,0,1]=4 2800 B10R0.18 C#CCNC(=O)CC(C)C=C 240690a_100000212058_100011934298 [0,2,0,0,0,0|1,0,1]=4 2801 B10R0.18 C#CCNC(=O)CC(C)C=C 527a_100000212058_100011934298 [0,2,0,0,0,0|1,0,1]=4 2802 B10R0.18 C=CC(=O)CC(=C)OCOC 1458a_100000185746_100000042856 [0,2,0,0,0,0|1,0,1]=4 2803 B10R0.18 C=CC(=O)CC(=O)NCCC 1458a_100000185746_100000183358 [0,2,0,0,0,0|1,0,1]=4 2804 B10R0.18 C=CC(=O)CC(=O)OCCC 1458a_100000185746_200011215008 [0,2,0,0,0,0|0,0,1]=3 2805 B10R0.18 C=CC(C)CC(=O)C/C=C/C 1458a_100011934298_100102629194 [0,2,0,0,0,0|1,0,1]=4 2806 B10R0.18 C=CC(C)CC(=O)CC#CC 1458a_100011934298_100000748600 [0,2,0,0,0,0|1,0,1]=4 2807 B10R0.18 C=CC(C)CC(=O)CC=CC 1458a_100011934298_100000070051 [0,2,0,0,0,0|1,0,1]=4 2808 B10R0.18 C=CC(C)CC(=O)CCC#N 1458a_100011934298_100011215226 [0,2,0,0,0,0|1,0,1]=4 2809 B10R0.18 C=CC(C)CC(=O)CCCC 1458a_100011934298_100000210211 [0,2,0,0,0,0|1,0,0]=3 2810 B10R0.18 C=CC(C)CC(=O)CCCF 1458a_100011934298_100011934791 [0,2,0,0,0,0|1,0,0]=3 2811 B10R0.18 C=CC(C)CC(=O)CCCO 1458a_100011934298_100011215043 [0,2,0,0,0,0|1,0,0]=3 2812 B10R0.18 C=CC(C)CC(=O)CCOC 1458a_100011934298_100000233755 [0,2,0,0,0,0|1,0,0]=3 2813 B10R0.18 C=CC(C)CC(=O)CCSC 1458a_100011934298_100000751147 [0,2,0,0,0,0|1,0,0]=3 2814 B10R0.18 C=CC(C)CC(=O)NCC#N 1626a_100000734998_100011934298 [0,2,0,0,0,0|1,0,1]=4 2815 B10R0.18 C=CC(C)CC(=O)NCC#N 527a_100000734998_100011934298 [0,2,0,0,0,0|1,0,1]=4 2816 B10R0.18 C=CC(C)CC(=O)NCCC 11a_100020643023_100011934298 [0,2,0,0,0,0|1,0,0]=3 2817 B10R0.18 C=CC(C)CC(=O)NCCC 1626a_100020643023_100011934298 [0,2,0,0,0,0|1,0,0]=3 2818 B10R0.18 C=CC(C)CC(=O)NCCC 240690a_100020643023_100011934298 [0,2,0,0,0,0|1,0,0]=3 2819 B10R0.18 C=CC(C)CC(=O)NCCC 527a_100020643023_100011934298 [0,2,0,0,0,0|1,0,0]=3 2820 B10R0.18 C=CC(C)CC(=O)NCCF 11a_100000724931_100011934298 [0,2,0,0,0,0|1,0,0]=3 2821 B10R0.18 C=CC(C)CC(=O)NCCF 1626a_100000724931_100011934298 [0,2,0,0,0,0|1,0,0]=3 2822 B10R0.18 C=CC(C)CC(=O)NCCF 240690a_100000724931_100011934298 [0,2,0,0,0,0|1,0,0]=3 2823 B10R0.18 C=CC(C)CC(=O)NCCF 527a_100000724931_100011934298 [0,2,0,0,0,0|1,0,0]=3 2824 B10R0.18 C=CC(C)CC(=O)NCCO 240690a_100000210304_100011934298 [0,2,0,0,0,0|1,0,0]=3 2825 B10R0.18 C=CC(C)CC(=O)NCCO 527a_100000210304_100011934298 [0,2,0,0,0,0|1,0,0]=3 2826 B10R0.18 C=CC(C)CC(=O)NNCC 22a_100000756455_100011934298 [0,2,0,0,0,0|1,0,0]=3 2827 B10R0.18 C=CCCC(=O)C=C(C)CC 1458a_100020758463_100000754431 [0,2,0,0,0,0|1,0,0]=3 2828 B10R0.18 C=CCCC(=O)CC(=O)CC 1458a_100000749702_100000747405 [0,2,0,0,0,0|1,0,0]=3 2829 B10R0.18 C=CCCC(=O)CC(=O)NC 1458a_100000749702_100000183359 [0,2,0,0,0,0|1,0,1]=4 2830 B10R0.18 C=CCCC(=O)CC(=O)OC 1458a_100000211351_100000754431 [0,2,0,0,0,0|1,0,1]=4 2831 B10R0.18 C=CCCC(=O)CC(=O)OC 1458a_100000749702_100000747449 [0,2,0,0,0,0|1,0,1]=4 2832 B10R0.18 C=CCCC(=O)CC(C)C=C 1458a_100011934298_100000754431 [0,2,0,0,0,0|1,0,0]=3 2833 B10R0.18 C=CCCC(=O)CC(C)CC 1458a_100000708755_100000754431 [0,2,0,0,0,0|1,0,0]=3 2834 B10R0.18 C=CCCC(=O)CC(C)CC 1458a_100000749702_100000748023 [0,2,0,0,0,0|1,0,0]=3 2835 B10R0.18 C=CCCC(=O)CC(O)CC 1458a_100000749702_100011218378 [0,2,0,0,0,0|1,0,0]=3 2836 B10R0.18 C=CCCC(=O)CC(O)CC 1458a_100011667805_100000754431 [0,2,0,0,0,0|1,0,0]=3 2837 B10R0.18 C=CCCC(=O)CN(C)CC 1458a_100116209913_100000754431 [0,2,0,0,0,0|1,0,0]=3 2838 B10R0.18 C=CCCC(=O)C[C@@H](C)CC 1458a_100000749702_100009816398 [0,2,0,0,0,0|1,0,0]=3 2839 B10R0.18 C=CCCC(=O)C[C@@H](C)CO 1458a_100000749702_100000059175 [0,2,0,0,0,0|1,0,0]=3 2840 B10R0.18 C=CCCC(=O)NC(C)C#N 11a_100000737613_100000749702 [0,2,0,0,0,0|1,0,0]=3 2841 B10R0.18 C=CCCC(=O)NC(C)C#N 1626a_100000737613_100000749702 [0,2,0,0,0,0|1,0,0]=3 2842 B10R0.18 C=CCCC(=O)NC(C)C#N 527a_100000737613_100000749702 [0,2,0,0,0,0|1,0,0]=3 2843 B10R0.18 C=CCCC(=O)NC(C)CC 11a_100000209981_100000749702 [0,2,0,0,0,0|1,0,0]=3 2844 B10R0.18 C=CCCC(=O)NC(C)CC 1626a_100000209981_100000749702 [0,2,0,0,0,0|1,0,0]=3 2845 B10R0.18 C=CCCC(=O)NC(C)CC 240690a_100000209981_100000749702 [0,2,0,0,0,0|1,0,0]=3 2846 B10R0.18 C=CCCC(=O)NC(C)CC 527a_100000209981_100000749702 [0,2,0,0,0,0|1,0,0]=3 2847 B10R0.18 C=CCCC(=O)N[C@H](C)CF 11a_100102880703_100000749702 [0,2,0,0,0,0|1,0,0]=3 2848 B10R0.18 C=CCCC(=O)N[C@H](C)CF 1626a_100102880703_100000749702 [0,2,0,0,0,0|1,0,0]=3 2849 B10R0.18 C=CCCC(=O)N[C@H](C)CF 240690a_100102880703_100000749702 [0,2,0,0,0,0|1,0,0]=3 2850 B10R0.18 C=CCCC(=O)N[C@H](C)CF 527a_100102880703_100000749702 [0,2,0,0,0,0|1,0,0]=3 2851 B10R0.18 C=CCCC(=O)N[C@H](C)CO 240690a_100000737577_100000749702 [0,2,0,0,0,0|1,0,0]=3 2852 B10R0.18 C=CCCC(=O)N[C@H](C)CO 527a_100000737577_100000749702 [0,2,0,0,0,0|1,0,0]=3 2853 B10R0.18 C=CCCC(C)OC(C)C#N 7a_100000765329_100000703298 [0,2,0,0,0,0|1,0,1]=4 2854 B10R0.18 C=CCCC(C)OC(C)CC 34a_100000765329_100011215416 [0,2,0,0,0,0|1,0,1]=4 2855 B10R0.18 C=CCCC(C)OC(C)CC 7a_100000765329_100000758301 [0,2,0,0,0,0|1,0,1]=4 2856 B10R0.18 C=CCCC(C)OC(C)CO 34a_100000765329_100012180447 [0,2,0,0,0,0|1,0,1]=4 2857 B10R0.18 C=CCCC(C)OC(C)CO 7a_100000765329_100012180447 [0,2,0,0,0,0|1,0,1]=4 2858 B10R0.18 C=CCNC(=O)C=C(C)CC 1626a_100020586998_100020758463 [0,2,0,0,0,0|2,0,0]=4 2859 B10R0.18 C=CCNC(=O)C=C(C)CC 240690a_100020586998_100020758463 [0,2,0,0,0,0|2,0,0]=4 2860 B10R0.18 C=CCNC(=O)CC(=O)CC 1458a_100000210414_100000183597 [0,2,0,0,0,0|2,0,0]=4 2861 B10R0.18 C=CCNC(=O)CC(C)C=C 1626a_100020586998_100011934298 [0,2,0,0,0,0|1,0,1]=4 2862 B10R0.18 C=CCNC(=O)CC(C)C=C 240690a_100020586998_100011934298 [0,2,0,0,0,0|1,0,1]=4 2863 B10R0.18 C=CCNC(=O)CC(C)C=C 527a_100020586998_100011934298 [0,2,0,0,0,0|1,0,1]=4 2864 B10R0.18 C=CCNC(=O)CC(C)CC 1626a_100020586998_100000708755 [0,2,0,0,0,0|2,0,0]=4 2865 B10R0.18 C=CCNC(=O)CC(C)CC 240690a_100020586998_100000708755 [0,2,0,0,0,0|2,0,0]=4 2866 B10R0.18 C=CCNC(=O)CC(C)CC 527a_100020586998_100000708755 [0,2,0,0,0,0|2,0,0]=4 2867 B10R0.18 C=CCNC(=O)CC(O)CC 1626a_100020586998_100011667805 [0,2,0,0,0,0|2,0,0]=4 2868 B10R0.18 C=CCNC(=O)CC(O)CC 240690a_100020586998_100011667805 [0,2,0,0,0,0|2,0,0]=4 2869 B10R0.18 C=CCNC(=O)CN(C)CC 2230a_100000225621_100000183597 [0,2,0,0,0,0|2,0,0]=4 2870 B10R0.18 C=CCNC(=O)CN(C)CC 240690a_100020586998_100116209913 [0,2,0,0,0,0|2,0,0]=4 2871 B10R0.18 C=CCNC(=O)CN(C)CC 269982a_100000225621_100000183597 [0,2,0,0,0,0|2,0,0]=4 2872 B10R0.18 C=CCNC(=O)CN(C)CC 527a_100020586998_100116209913 [0,2,0,0,0,0|2,0,0]=4 2873 B10R0.18 C=CCNC(=O)NC(C)C#N 2708a_100000737613_100020586998 [0,2,0,0,0,0|2,0,0]=4 2874 B10R0.18 C=CCNC(=O)NC(C)C#N 273464a_100000737613_100020586998 [0,2,0,0,0,0|2,0,0]=4 2875 B10R0.18 C=CCNC(=O)NC(C)C#N 273464a_100020586998_100000737613 [0,2,0,0,0,0|2,0,0]=4 2876 B10R0.18 C=CCNC(=O)NC(C)C#N 512a_100000737613_100020586998 [0,2,0,0,0,0|2,0,0]=4 2877 B10R0.18 C=CCNC(=O)NC(C)C#N 512a_100020586998_100000737613 [0,2,0,0,0,0|2,0,0]=4 2878 B10R0.18 C=CCNC(=O)NC(C)CC 2708a_100000209981_100020586998 [0,2,0,0,0,0|2,0,0]=4 2879 B10R0.18 C=CCNC(=O)NC(C)CC 273464a_100000209981_100020586998 [0,2,0,0,0,0|2,0,0]=4 2880 B10R0.18 C=CCNC(=O)NC(C)CC 273464a_100020586998_100000209981 [0,2,0,0,0,0|2,0,0]=4 2881 B10R0.18 C=CCNC(=O)NC(C)CC 512a_100000209981_100020586998 [0,2,0,0,0,0|2,0,0]=4 2882 B10R0.18 C=CCNC(=O)NC(C)CC 512a_100020586998_100000209981 [0,2,0,0,0,0|2,0,0]=4 2883 B10R0.18 C=CCNC(=O)N[C@H](C)CF 273464a_100020586998_100102880703 [0,2,0,0,0,0|2,0,0]=4 2884 B10R0.18 C=CCNC(=O)N[C@H](C)CF 273464a_100102880703_100020586998 [0,2,0,0,0,0|2,0,0]=4 2885 B10R0.18 C=CCNC(=O)N[C@H](C)CF 512a_100020586998_100102880703 [0,2,0,0,0,0|2,0,0]=4 2886 B10R0.18 C=CCNC(=O)N[C@H](C)CF 512a_100102880703_100020586998 [0,2,0,0,0,0|2,0,0]=4 2887 B10R0.18 C=CCNC(=O)N[C@H](C)CO 273464a_100000737577_100020586998 [0,2,0,0,0,0|2,0,0]=4 2888 B10R0.18 C=CCNC(=O)N[C@H](C)CO 512a_100000737577_100020586998 [0,2,0,0,0,0|2,0,0]=4 2889 B10R0.18 C=CCNC(=O)N[C@H](C)CO 512a_100020586998_100000737577 [0,2,0,0,0,0|2,0,0]=4 2890 B10R0.18 C=CCOC(=O)CC(=O)C=C 1458a_100000185746_100000033060 [0,2,0,0,0,0|0,0,2]=4 2891 B10R0.18 C=CCOC(=O)CC(=O)CC 1458a_100000210414_100000033060 [0,2,0,0,0,0|2,0,0]=4 2892 B10R0.18 C=CCOC(=O)CN(C)CC 2230a_100000225621_100000033060 [0,2,0,0,0,0|2,0,0]=4 2893 B10R0.18 C=CCOC(=O)CN(C)CC 269982a_100000225621_100000033060 [0,2,0,0,0,0|2,0,0]=4 2894 B10R0.18 CCOCC(=O)CC(C)CC 1458a_100000211967_100000748023 [0,2,0,0,0,0|0,0,2]=4 2895 B10R0.18 CCOCC(=O)CC(O)CC 1458a_100000211967_100011218378 [0,2,0,0,0,0|0,0,2]=4 2896 B10R0.18 CCOCC(=O)C[C@@H](C)CC 1458a_100000211967_100009816398 [0,2,0,0,0,0|0,0,2]=4 2897 B10R0.18 CCOCC(=O)C[C@@H](C)CO 1458a_100000211967_100000059175 [0,2,0,0,0,0|1,0,1]=4 2898 B10R0.28 C=CCCC(=O)CC(C)(C)C 1458a_100000211214_100000754431 [0,2,0,0,0,0|1,0,0]=3 2899 B10R0.28 C=CCCC(=O)CC(C)(C)O 1458a_100000693243_100000754431 [0,2,0,0,0,0|1,0,0]=3 2900 B10R0.28 C=CCCC(=O)CC(F)(F)F 1458a_100000245130_100000754431 [0,2,0,0,0,0|2,0,0]=4 2901 B10R0.28 C=CCCC(=O)CS(=O)(=O)C 1458a_100000744497_100000754431 [0,2,0,0,0,0|2,0,0]=4 2902 B10R0.28 C=CCCC(=O)C[N+](C)(C)C 1458a_100000033712_100000754431 [0,2,0,0,0,0|2,0,0]=4 2903 B10R0.28 C=CCCC(=O)C[Si](C)(C)C 1458a_100000749702_100000233785 [0,2,0,0,0,0|1,1,0]=4 2904 B10R0.28 C=CCCC(=O)C[Si](C)(C)C 1458a_100011218504_100000754431 [0,2,0,0,0,0|1,1,0]=4 2905 B10R0.28 C=CCCC(=O)NC(C)(C)C 11a_100000715429_100000749702 [0,2,0,0,0,0|1,0,0]=3 2906 B10R0.28 C=CCCC(=O)NC(C)(C)C 1626a_100000715429_100000749702 [0,2,0,0,0,0|1,0,0]=3 2907 B10R0.28 C=CCCC(=O)NC(C)(C)C 240690a_100000715429_100000749702 [0,2,0,0,0,0|1,0,0]=3 2908 B10R0.28 C=CCCC(=O)NC(C)(C)C 527a_100000715429_100000749702 [0,2,0,0,0,0|1,0,0]=3 2909 B10R0.28 C=CCCC(=O)NS(=O)(=O)C 2740a_100000171171_100000749702 [0,2,0,0,0,0|2,0,0]=4 2910 B10R0.28 C=CCCC(C)OC(C)(C)C 34a_100000765329_100000210625 [0,2,0,0,0,0|1,0,1]=4 2911 B10R0.28 C=CCNC(=O)CC(C)(C)C 1626a_100020586998_100000211214 [0,2,0,0,0,0|2,0,0]=4 2912 B10R0.28 C=CCNC(=O)CC(C)(C)C 240690a_100020586998_100000211214 [0,2,0,0,0,0|2,0,0]=4 2913 B10R0.28 C=CCNC(=O)CC(C)(C)C 527a_100020586998_100000211214 [0,2,0,0,0,0|2,0,0]=4 2914 B10R0.28 C=CCNC(=O)CC(C)(C)O 527a_100020586998_100000693243 [0,2,0,0,0,0|2,0,0]=4 2915 B10R0.28 C=CCNC(=O)NC(C)(C)C 273464a_100000715429_100020586998 [0,2,0,0,0,0|2,0,0]=4 2916 B10R0.28 C=CCNC(=O)NC(C)(C)C 273464a_100020586998_100000715429 [0,2,0,0,0,0|2,0,0]=4 2917 B10R0.28 C=CCNC(=O)NC(C)(C)C 512a_100000715429_100020586998 [0,2,0,0,0,0|2,0,0]=4 2918 B10R0.28 CC(C)(C)OC(=O)CCO[13CH3] 34a_100011934494_200025704644 [0,2,0,0,0,0|1,0,1]=4 2919 B10R0.28 CC(C)(C)OC(=O)CCO[13CH3] 7a_100011934494_200025704644 [0,2,0,0,0,0|1,0,1]=4 2920 B10R0.28 CC(C)(C)OC(=O)CCS[13CH3] 62a_100009816755_200025704644 [0,2,0,0,0,0|1,0,1]=4 2921 B10R0.28 CC(C)(C)OC(=O)CCS[13CH3] 62a_200025704644_100009816755 [0,2,0,0,0,0|1,0,1]=4 2922 B10R0.28 CNCCC(=O)OC(C)(C)C 2230a_106832991635_100009816755 [0,2,0,0,0,0|1,0,1]=4 2923 B10R0.28 CNCCC(=O)OC(C)(C)C 34a_100102657272_100009816755 [0,2,0,0,0,0|1,0,1]=4 2924 B10R0.28 CNCCC(=O)OC(C)(C)C 7a_106832991635_100009816755 [0,2,0,0,0,0|1,0,1]=4 2925 B10R0.28 COCCC(=O)OC(C)(C)C 34a_100011934494_200000210301 [0,2,0,0,0,0|1,0,1]=4 2926 B10R0.28 COCCC(=O)OC(C)(C)C 34a_100138415774_100009816755 [0,2,0,0,0,0|1,0,1]=4 2927 B10R0.28 COCCC(=O)OC(C)(C)C 7a_100011934494_200000210301 [0,2,0,0,0,0|1,0,1]=4 2928 B10R0.28 CSCCC(=O)OC(C)(C)C 62a_100009816755_200000210301 [0,2,0,0,0,0|1,0,1]=4 2929 B10R0.28 CSCCC(=O)OC(C)(C)C 62a_200000210301_100009816755 [0,2,0,0,0,0|1,0,1]=4 2930 B10R0.32 C=C(C)CC(=O)C(=O)NCC 1458a_200011297158_100000748629 [0,2,0,0,0,0|1,0,1]=4 2931 B10R0.32 C=C(C)CN(C)C(=O)CCC 11a_100000225649_100000211992 [0,2,0,0,0,0|2,0,0]=4 2932 B10R0.32 C=C(C)CN(C)C(=O)CCC 1626a_100000225649_100000211992 [0,2,0,0,0,0|2,0,0]=4 2933 B10R0.32 C=C(C)CN(C)C(=O)CCC 527a_100000225649_100000211992 [0,2,0,0,0,0|2,0,0]=4 2934 B10R0.32 C=C(C)CN(C)C(=O)NCC 2708a_100015525214_100000225649 [0,2,0,0,0,0|2,0,0]=4 2935 B10R0.32 C=C(C)CN(C)C(=O)NCC 273464a_100015525214_100000225649 [0,2,0,0,0,0|2,0,0]=4 2936 B10R0.32 C=C(F)CC(=O)C(=O)NCC 1458a_200011297158_100009893438 [0,2,0,0,0,0|1,0,1]=4 2937 B10R0.32 C=CCC(=O)C(=O)NC(C)C 1458a_100011220036_100000210623 [0,2,0,0,0,0|1,0,1]=4 2938 B10R0.32 C=CCC(C)C(=O)CC(=C)C 1458a_100011216819_100000748629 [0,2,0,0,0,0|1,0,1]=4 2939 B10R0.32 C=CCC(C)C(=O)CC(C)C 1458a_100011216819_100000210624 [0,2,0,0,0,0|1,0,0]=3 2940 B10R0.32 C=CCC(C)C(=O)CC(C)O 1458a_100011216819_100011218427 [0,2,0,0,0,0|1,0,0]=3 2941 B10R0.32 C=CCC(C)C(=O)CC(F)F 1458a_100011216819_100011934356 [0,2,0,0,0,0|2,0,0]=4 2942 B10R0.32 C=CCC(C)C(=O)NC(C)C 11a_100138425928_100011216819 [0,2,0,0,0,0|1,0,0]=3 2943 B10R0.32 C=CCC(C)C(=O)NC(C)C 1626a_100138425928_100011216819 [0,2,0,0,0,0|1,0,0]=3 2944 B10R0.32 C=CCC(C)C(=O)NC(C)C 240690a_100138425928_100011216819 [0,2,0,0,0,0|1,0,0]=3 2945 B10R0.32 C=CCC(C)C(=O)NC(C)C 527a_100138425928_100011216819 [0,2,0,0,0,0|1,0,0]=3 2946 B10R0.32 C=CCN(C)C(=O)CC(C)C 11a_100000225617_100000210554 [0,2,0,0,0,0|2,0,0]=4 2947 B10R0.32 C=CCN(C)C(=O)CC(C)C 1626a_100000225617_100000210554 [0,2,0,0,0,0|2,0,0]=4 2948 B10R0.32 C=CCN(C)C(=O)CC(C)C 240690a_100000225617_100000210554 [0,2,0,0,0,0|2,0,0]=4 2949 B10R0.32 C=CCN(C)C(=O)CC(C)C 527a_100000225617_100000210554 [0,2,0,0,0,0|2,0,0]=4 2950 B10R0.32 C=CCN(C)C(=O)C[C@@H](C)O 240690a_100000225617_100011933948 [0,2,0,0,0,0|2,0,0]=4 2951 B10R0.32 C=CCN(C)C(=O)NC(C)C 2708a_100138425928_100000225617 [0,2,0,0,0,0|2,0,0]=4 2952 B10R0.32 C=CCN(C)C(=O)NC(C)C 273464a_100138425928_100000225617 [0,2,0,0,0,0|2,0,0]=4 2953 B10R0.32 CC(C)OC(=O)[C@@H](N)CO[13CH3] 34a_100121572844_200025704644 [0,2,0,0,0,0|1,0,1]=4 2954 B10R0.32 CCOC(=O)[C@@H](C)NC(=O)C 188690a_100016988386_100015343762 [0,2,0,0,0,0|1,0,1]=4 2955 B10R0.32 COC[C@H](N)C(=O)OC(C)C 34a_100121572844_200000210301 [0,2,0,0,0,0|1,0,1]=4 2956 B10R0.44 C=CC(=O)CC(=O)NC(C)C 1458a_100000185746_100000183996 [0,2,0,0,0,0|1,0,1]=4 2957 B10R0.44 C=CC(=O)CC(=O)OC(C)C 1458a_100000185746_100011215430 [0,2,0,0,0,0|0,0,1]=3 2958 B10R0.44 C=CC(C)CC(=O)CC(=C)C 1458a_100011934298_100000748629 [0,2,0,0,0,0|1,0,1]=4 2959 B10R0.44 C=CC(C)CC(=O)CC(C)C 1458a_100011934298_100000210624 [0,2,0,0,0,0|1,0,0]=3 2960 B10R0.44 C=CC(C)CC(=O)CC(C)O 1458a_100011934298_100011218427 [0,2,0,0,0,0|1,0,0]=3 2961 B10R0.44 C=CC(C)CC(=O)CC(F)F 1458a_100011934298_100011934356 [0,2,0,0,0,0|2,0,0]=4 2962 B10R0.44 C=CC(C)CC(=O)NC(C)C 11a_100138425928_100011934298 [0,2,0,0,0,0|1,0,0]=3 2963 B10R0.44 C=CC(C)CC(=O)NC(C)C 1626a_100138425928_100011934298 [0,2,0,0,0,0|1,0,0]=3 2964 B10R0.44 C=CC(C)CC(=O)NC(C)C 240690a_100138425928_100011934298 [0,2,0,0,0,0|1,0,0]=3 2965 B10R0.44 C=CC(C)CC(=O)NC(C)C 527a_100138425928_100011934298 [0,2,0,0,0,0|1,0,0]=3 2966 B10R0.81 C=CCCC(=O)C(=O)N(C)C 1458a_100011218876_100000754431 [0,2,0,0,0,0|2,0,0]=4 2967 B10R0.81 C=CCCC(=O)C(C)C(=O)C 1458a_100000749702_100000179758 [0,2,0,0,0,0|1,0,1]=4 2968 B10R0.81 C=CCCC(=O)C(C)C(C)C 1458a_100000755409_100000754431 [0,2,0,0,0,0|1,0,0]=3 2969 B10R0.81 C=CCCC(=O)N(C)C(C)C 11a_200000211004_100000749702 [0,2,0,0,0,0|1,0,0]=3 2970 B10R0.81 C=CCCC(=O)N(C)C(C)C 1626a_200000211004_100000749702 [0,2,0,0,0,0|1,0,0]=3 2971 B10R0.81 C=CCCC(=O)N(C)C(C)C 240690a_200000211004_100000749702 [0,2,0,0,0,0|1,0,0]=3 2972 B10R0.81 C=CCCC(=O)N(C)C(C)C 527a_200000211004_100000749702 [0,2,0,0,0,0|1,0,0]=3 2973 B10R0.81 C=CCCC(=O)[C@H](C)N(C)C 1458a_100009822176_100000754431 [0,2,0,0,0,0|2,0,0]=4 2974 B10R0.81 C=CCCC(=O)[C@H](O)C(C)C 1458a_100000691806_100000754431 [0,2,0,0,0,0|1,0,0]=3 2975 B10R0.81 C=CCNC(=O)C(C)C(C)C 1626a_100020586998_100000755409 [0,2,0,0,0,0|2,0,0]=4 2976 B10R0.81 C=CCNC(=O)C(C)C(C)C 240690a_100020586998_100000755409 [0,2,0,0,0,0|2,0,0]=4 2977 B10R0.81 C=CCNC(=O)C(C)C(C)C 527a_100020586998_100000755409 [0,2,0,0,0,0|2,0,0]=4 2978 B10R0.81 C=CCNC(=O)N(C)C(C)C 273464a_100020586998_200000211004 [0,2,0,0,0,0|2,0,0]=4 2979 B10R0.81 C=CCNC(=O)[C@H](O)C(C)C 240690a_100020586998_100000691806 [0,2,0,0,0,0|2,0,0]=4 2980 B10R0.96 C=C(C)CCC(=O)C=C(C)C 1458a_100000211388_100000730704 [0,2,0,0,0,0|1,0,1]=4 2981 B10R0.96 C=C(C)CCC(=O)C=C(C)Cl 1458a_200042562850_100000730704 [0,2,0,0,0,0|1,0,1]=4 2982 B10R0.96 C=C(C)CCC(=O)C=C(C)I 1458a_100025716642_100000730704 [0,2,0,0,0,0|1,0,1]=4 2983 B10R0.96 C=C(C)CCC(=O)CC(=C)C 1458a_200000688413_100000748629 [0,2,0,0,0,0|1,0,1]=4 2984 B10R0.96 C=C(C)CCC(=O)CC(C)C 1458a_100000210554_100000730704 [0,2,0,0,0,0|1,0,0]=3 2985 B10R0.96 C=C(C)CCC(=O)CC(C)C 1458a_200000688413_100000210624 [0,2,0,0,0,0|1,0,0]=3 2986 B10R0.96 C=C(C)CCC(=O)CC(C)O 1458a_200000688413_100011218427 [0,2,0,0,0,0|1,0,0]=3 2987 B10R0.96 C=C(C)CCC(=O)CC(F)F 1458a_200000688413_100011934356 [0,2,0,0,0,0|2,0,0]=4 2988 B10R0.96 C=C(C)CCC(=O)CN(C)C 1458a_100000750896_100000730704 [0,2,0,0,0,0|2,0,0]=4 2989 B10R0.96 C=C(C)CCC(=O)C[C@@H](C)O 1458a_100011933948_100000730704 [0,2,0,0,0,0|1,0,0]=3 2990 B10R0.96 C=C(C)CCC(=O)C[S+](C)C 1458a_200159257847_100000730704 [0,2,0,0,0,0|2,0,0]=4 2991 B10R0.96 C=C(C)CCC(=O)NC(C)C 11a_100138425928_200000688413 [0,2,0,0,0,0|1,0,0]=3 2992 B10R0.96 C=C(C)CCC(=O)NC(C)C 1626a_100138425928_200000688413 [0,2,0,0,0,0|1,0,0]=3 2993 B10R0.96 C=C(C)CCC(=O)NC(C)C 240690a_100138425928_200000688413 [0,2,0,0,0,0|1,0,0]=3 2994 B10R0.96 C=C(C)CCC(=O)NC(C)C 527a_100138425928_200000688413 [0,2,0,0,0,0|1,0,0]=3 2995 B10R0.96 C=C(C)CNC(=O)CC(C)C 11a_100000765925_100000210554 [0,2,0,0,0,0|2,0,0]=4 2996 B10R0.96 C=C(C)CNC(=O)CC(C)C 1626a_100000765925_100000210554 [0,2,0,0,0,0|2,0,0]=4 2997 B10R0.96 C=C(C)CNC(=O)CC(C)C 240690a_100000765925_100000210554 [0,2,0,0,0,0|2,0,0]=4 2998 B10R0.96 C=C(C)CNC(=O)CC(C)C 527a_100000765925_100000210554 [0,2,0,0,0,0|2,0,0]=4 2999 B10R0.96 C=C(C)CNC(=O)C[C@@H](C)O 240690a_100000765925_100011933948 [0,2,0,0,0,0|2,0,0]=4 3000 B10R0.96 C=C(C)CNC(=O)NC(C)C 2708a_100000765925_100138425928 [0,2,0,0,0,0|2,0,0]=4 3001 B10R0.96 C=C(C)CNC(=O)NC(C)C 2708a_100138425928_100000765925 [0,2,0,0,0,0|2,0,0]=4 3002 B10R0.96 C=C(C)CNC(=O)NC(C)C 273464a_100138425928_100000765925 [0,2,0,0,0,0|2,0,0]=4 3003 B10R0.96 C=C(C)CNC(=O)NC(C)C 512a_100000765925_100138425928 [0,2,0,0,0,0|2,0,0]=4 3004 B10R0.96 C=C(C)CNC(=O)NC(C)C 512a_100138425928_100000765925 [0,2,0,0,0,0|2,0,0]=4 3005 B10R0.96 CC(=O)CCC(=O)NC(C)C 1458a_100000070787_100000737564 [0,2,0,0,0,0|1,0,1]=4 3006 B10R0.96 CC(=O)CCC(=O)OC(C)C 1458a_100000070787_100000760027 [0,2,0,0,0,0|0,0,1]=3 3007 B10R0.96 CC(=O)COC(=O)OC(C)C 1458a_100000070787_100000003507 [0,2,0,0,0,0|1,0,1]=4 3008 B10R0.96 CC(C)CC(=O)CCC(=O)N 1458a_100011215257_100000210624 [0,2,0,0,0,0|2,0,0]=4 3009 B10R0.96 CC(C)NC(=O)CCC(=O)N 240690a_100138425928_100011215257 [0,2,0,0,0,0|2,0,0]=4 3010 B10R0.96 CC(C)NC(=O)CCC(=O)N 527a_100138425928_100011215257 [0,2,0,0,0,0|2,0,0]=4 3011 B10R0.96 CC(C)OC(=O)CCN(C)C 2230a_100102631434_100000760027 [0,2,0,0,0,0|1,0,1]=4 3012 B10R0.96 CC(C)OC(=O)CCN(C)C 269982a_100102631434_100000760027 [0,2,0,0,0,0|1,0,1]=4 3013 B10R0.96 CC(O)CC(=O)CCC(=O)N 1458a_100011215257_100011218427 [0,2,0,0,0,0|2,0,0]=4 3014 B10R0.1 C#CCCNCC(=O)OCC 34a_100000755551_100000188475 [0,2,0,0,0,0|0,0,2]=4 3015 B10R0.1 C#CCCOCC(=O)OCC 34a_100011215631_100000188475 [0,2,0,0,0,0|0,0,2]=4 3016 B10R0.1 C#CCCSCC(=O)OCC 62a_100000188475_100000688953 [0,2,0,0,0,0|0,0,2]=4 3017 B10R0.1 C#CCCSCC(=O)OCC 62a_100000688953_100000188475 [0,2,0,0,0,0|0,0,2]=4 3018 B10R0.1 C#CCNCCC(=O)OCC 34a_100000212058_100000765890 [0,2,0,0,0,0|0,0,2]=4 3019 B10R0.1 C#CCOCCC(=O)OCC 34a_100000210247_100000765890 [0,2,0,0,0,0|0,0,2]=4 3020 B10R0.1 C#CCSCCC(=O)OCC 62a_100000038162_100000765890 [0,2,0,0,0,0|0,0,2]=4 3021 B10R0.1 C#CCSCOC(=O)OCC 62a_100000038162_100000075025 [0,2,0,0,0,0|0,0,2]=4 3022 B10R0.1 C/C=C/COCC(=O)NCC 34a_100016270725_100000183381 [0,2,0,0,0,0|1,0,0]=3 3023 B10R0.1 C/C=C/COCC(=O)NCO 34a_100016270725_100000185155 [0,2,0,0,0,0|2,0,0]=4 3024 B10R0.1 C/C=C/COCC(=O)OCC 34a_100016270725_100000188475 [0,2,0,0,0,0|0,0,0]=2 3025 B10R0.1 C/C=C/CSCC(=O)CCC 62a_100000747444_100102629194 [0,2,0,0,0,0|1,0,0]=3 3026 B10R0.1 C/C=C/CSCC(=O)CCC 62a_100102629194_100000747444 [0,2,0,0,0,0|1,0,0]=3 3027 B10R0.1 C/C=C/CSCC(=O)NCC 62a_100000183381_100102629194 [0,2,0,0,0,0|1,0,0]=3 3028 B10R0.1 C/C=C/CSCC(=O)NCC 62a_100102629194_100000183381 [0,2,0,0,0,0|1,0,0]=3 3029 B10R0.1 C/C=C/CSCC(=O)NCO 62a_100000185155_100102629194 [0,2,0,0,0,0|2,0,0]=4 3030 B10R0.1 C/C=C/CSCC(=O)NCO 62a_100102629194_100000185155 [0,2,0,0,0,0|2,0,0]=4 3031 B10R0.1 C/C=C/CSCC(=O)OCC 62a_100000188475_100102629194 [0,2,0,0,0,0|0,0,0]=2 3032 B10R0.1 C/C=C/CSCC(=O)OCC 62a_100102629194_100000188475 [0,2,0,0,0,0|0,0,0]=2 3033 B10R0.1 C=CCCCCC(=O)C#CC 1458a_100000763181_100011215482 [0,2,0,0,0,0|1,0,1]=4 3034 B10R0.1 C=CCCCCC(=O)C=CC 1458a_100000210699_100011215482 [0,2,0,0,0,0|1,0,1]=4 3035 B10R0.1 C=CCCCCC(=O)CCC 1458a_100000211992_100011215482 [0,2,0,0,0,0|1,0,0]=3 3036 B10R0.1 C=CCCCCC(=O)CCC 1458a_100011215552_100000210303 [0,2,0,0,0,0|1,0,0]=3 3037 B10R0.1 C=CCCCCC(=O)CCF 1458a_100011215552_100011217306 [0,2,0,0,0,0|2,0,0]=4 3038 B10R0.1 C=CCCCCC(=O)CCO 1458a_100011215552_100000211926 [0,2,0,0,0,0|2,0,0]=4 3039 B10R0.1 C=CCCCCC(=O)CCO 1458a_100011216618_100011215482 [0,2,0,0,0,0|2,0,0]=4 3040 B10R0.1 C=CCCCCC(=O)COC 1458a_100000210968_100011215482 [0,2,0,0,0,0|2,0,0]=4 3041 B10R0.1 C=CCCCCC(=O)CSC 1458a_100000184570_100011215482 [0,2,0,0,0,0|2,0,0]=4 3042 B10R0.1 C=CCCCCC(=O)NCC 11a_100015525214_100011215552 [0,2,0,0,0,0|1,0,0]=3 3043 B10R0.1 C=CCCCCC(=O)NCC 240690a_100015525214_100011215552 [0,2,0,0,0,0|1,0,0]=3 3044 B10R0.1 C=CCCCCC(=O)NCC 527a_100015525214_100011215552 [0,2,0,0,0,0|1,0,0]=3 3045 B10R0.1 C=CCCCCC(=O)NNC 22a_100016993582_100011215552 [0,2,0,0,0,0|2,0,0]=4 3046 B10R0.1 C=CCCCNC(=O)C=CC 11a_100000700776_100000210699 [0,2,0,0,0,0|1,0,1]=4 3047 B10R0.1 C=CCCCNC(=O)C=CC 1626a_100000700776_100000210699 [0,2,0,0,0,0|1,0,1]=4 3048 B10R0.1 C=CCCCNC(=O)C=CC 240690a_100000700776_100000210699 [0,2,0,0,0,0|1,0,1]=4 3049 B10R0.1 C=CCCCNC(=O)CCC 11a_100000700776_100000211992 [0,2,0,0,0,0|1,0,0]=3 3050 B10R0.1 C=CCCCNC(=O)CCC 1626a_100000700776_100000211992 [0,2,0,0,0,0|1,0,0]=3 3051 B10R0.1 C=CCCCNC(=O)CCC 240690a_100000700776_100000211992 [0,2,0,0,0,0|1,0,0]=3 3052 B10R0.1 C=CCCCNC(=O)CCC 527a_100000700776_100000211992 [0,2,0,0,0,0|1,0,0]=3 3053 B10R0.1 C=CCCCNC(=O)CCO 240690a_100000700776_100011216618 [0,2,0,0,0,0|2,0,0]=4 3054 B10R0.1 C=CCCCNC(=O)COC 11a_100000700776_100000210968 [0,2,0,0,0,0|2,0,0]=4 3055 B10R0.1 C=CCCCNC(=O)COC 1626a_100000700776_100000210968 [0,2,0,0,0,0|2,0,0]=4 3056 B10R0.1 C=CCCCNC(=O)COC 240690a_100000700776_100000210968 [0,2,0,0,0,0|2,0,0]=4 3057 B10R0.1 C=CCCCNC(=O)COC 527a_100000700776_100000210968 [0,2,0,0,0,0|2,0,0]=4 3058 B10R0.1 C=CCCCNC(=O)CSC 11a_100000700776_100000184570 [0,2,0,0,0,0|2,0,0]=4 3059 B10R0.1 C=CCCCNC(=O)CSC 1626a_100000700776_100000184570 [0,2,0,0,0,0|2,0,0]=4 3060 B10R0.1 C=CCCCNC(=O)CSC 240690a_100000700776_100000184570 [0,2,0,0,0,0|2,0,0]=4 3061 B10R0.1 C=CCCCNC(=O)CSC 527a_100000700776_100000184570 [0,2,0,0,0,0|2,0,0]=4 3062 B10R0.1 C=CCCCNC(=O)NCC 2708a_100000700776_100015525214 [0,2,0,0,0,0|1,0,0]=3 3063 B10R0.1 C=CCCCNC(=O)NCC 2708a_100015525214_100000700776 [0,2,0,0,0,0|1,0,0]=3 3064 B10R0.1 C=CCCCNC(=O)NCC 273464a_100000700776_100015525214 [0,2,0,0,0,0|1,0,0]=3 3065 B10R0.1 C=CCCCNC(=O)NCC 273464a_100015525214_100000700776 [0,2,0,0,0,0|1,0,0]=3 3066 B10R0.1 C=CCCCNC(=O)NCC 512a_100000700776_100015525214 [0,2,0,0,0,0|1,0,0]=3 3067 B10R0.1 C=CCCCNC(=O)NCC 512a_100015525214_100000700776 [0,2,0,0,0,0|1,0,0]=3 3068 B10R0.1 C=CCCCNC(=O)NNC 273464a_100000700776_100016993582 [0,2,0,0,0,0|2,0,0]=4 3069 B10R0.1 C=CCCCNC(=O)NNC 512a_100000700776_100016993582 [0,2,0,0,0,0|2,0,0]=4 3070 B10R0.1 C=CCCCNC(=O)NNC 512a_100016993582_100000700776 [0,2,0,0,0,0|2,0,0]=4 3071 B10R0.1 C=CCCNCC(=O)CCC 2230a_100015191253_100000747444 [0,2,0,0,0,0|1,0,0]=3 3072 B10R0.1 C=CCCNCC(=O)NCC 2230a_100015191253_100000183381 [0,2,0,0,0,0|1,0,0]=3 3073 B10R0.1 C=CCCNCC(=O)NCC 2230a_100016988866_100000754431 [0,2,0,0,0,0|1,0,0]=3 3074 B10R0.1 C=CCCNCC(=O)NCO 2230a_100015191253_100000185155 [0,2,0,0,0,0|2,0,0]=4 3075 B10R0.1 C=CCCNCC(=O)OC=C 2230a_100015191253_100000036128 [0,2,0,0,0,0|0,0,2]=4 3076 B10R0.1 C=CCCNCC(=O)OCC 2230a_100015191253_100000188475 [0,2,0,0,0,0|0,0,0]=2 3077 B10R0.1 C=CCCOCC(=O)NCC 34a_100011205117_100000183381 [0,2,0,0,0,0|1,0,0]=3 3078 B10R0.1 C=CCCOCC(=O)NCO 34a_100011205117_100000185155 [0,2,0,0,0,0|2,0,0]=4 3079 B10R0.1 C=CCCOCC(=O)OC=C 34a_100011205117_100000036128 [0,2,0,0,0,0|0,0,2]=4 3080 B10R0.1 C=CCCOCC(=O)OCC 34a_100011205117_100000188475 [0,2,0,0,0,0|0,0,0]=2 3081 B10R0.1 C=CCCSCC(=O)CCC 62a_100000747444_100000754431 [0,2,0,0,0,0|1,0,0]=3 3082 B10R0.1 C=CCCSCC(=O)CCC 62a_100000754431_100000747444 [0,2,0,0,0,0|1,0,0]=3 3083 B10R0.1 C=CCCSCC(=O)NCC 62a_100000183381_100000754431 [0,2,0,0,0,0|1,0,0]=3 3084 B10R0.1 C=CCCSCC(=O)NCC 62a_100000754431_100000183381 [0,2,0,0,0,0|1,0,0]=3 3085 B10R0.1 C=CCCSCC(=O)NCO 62a_100000185155_100000754431 [0,2,0,0,0,0|2,0,0]=4 3086 B10R0.1 C=CCCSCC(=O)NCO 62a_100000754431_100000185155 [0,2,0,0,0,0|2,0,0]=4 3087 B10R0.1 C=CCCSCC(=O)OC=C 62a_100000036128_100000754431 [0,2,0,0,0,0|0,0,2]=4 3088 B10R0.1 C=CCCSCC(=O)OC=C 62a_100000754431_100000036128 [0,2,0,0,0,0|0,0,2]=4 3089 B10R0.1 C=CCCSCC(=O)OCC 62a_100000188475_100000754431 [0,2,0,0,0,0|0,0,0]=2 3090 B10R0.1 C=CCCSCC(=O)OCC 62a_100000754431_100000188475 [0,2,0,0,0,0|0,0,0]=2 3091 B10R0.1 C=CCNCCC(=O)NCC 2230a_100020586998_100000737597 [0,2,0,0,0,0|1,0,0]=3 3092 B10R0.1 C=CCNCCC(=O)NCC 34a_100025743525_100015514636 [0,2,0,0,0,0|1,0,0]=3 3093 B10R0.1 C=CCNCCC(=O)OCC 2230a_100020586998_100011206558 [0,2,0,0,0,0|0,0,0]=2 3094 B10R0.1 C=CCNCOC(=O)CCC 2230a_100020586998_100000034017 [0,2,0,0,0,0|1,0,0]=3 3095 B10R0.1 C=CCOCCC(=O)CCC 1458a_200011217002_100000210303 [0,2,0,0,0,0|1,0,0]=3 3096 B10R0.1 C=CCOCCC(=O)CCF 1458a_200011217002_100011217306 [0,2,0,0,0,0|2,0,0]=4 3097 B10R0.1 C=CCOCCC(=O)CCO 1458a_200011217002_100000211926 [0,2,0,0,0,0|2,0,0]=4 3098 B10R0.1 C=CCOCCC(=O)NCC 11a_100015525214_200011217002 [0,2,0,0,0,0|1,0,0]=3 3099 B10R0.1 C=CCOCCC(=O)NCC 240690a_100015525214_200011217002 [0,2,0,0,0,0|1,0,0]=3 3100 B10R0.1 C=CCOCCC(=O)NCC 527a_100015525214_200011217002 [0,2,0,0,0,0|1,0,0]=3 3101 B10R0.1 C=CCOCCC(=O)NNC 22a_100016993582_200011217002 [0,2,0,0,0,0|2,0,0]=4 3102 B10R0.1 C=CCOCCC(=O)OCC 34a_200000210373_100000765890 [0,2,0,0,0,0|0,0,0]=2 3103 B10R0.1 C=CCOCOC(=O)CCC 34a_200000210373_100000034017 [0,2,0,0,0,0|1,0,0]=3 3104 B10R0.1 C=CCSCCC(=O)NCC 62a_100000210623_100000737597 [0,2,0,0,0,0|1,0,0]=3 3105 B10R0.1 C=CCSCCC(=O)NCC 62a_100000737597_100000210623 [0,2,0,0,0,0|1,0,0]=3 3106 B10R0.1 C=CCSCCC(=O)OCC 62a_100000210623_100000765890 [0,2,0,0,0,0|0,0,0]=2 3107 B10R0.1 C=CCSCCC(=O)OCC 62a_100000765890_100000210623 [0,2,0,0,0,0|0,0,0]=2 3108 B10R0.1 C=CCSCOC(=O)CCC 62a_100000210623_100000034017 [0,2,0,0,0,0|1,0,0]=3 3109 B10R0.1 C=CCSCOC(=O)OCC 62a_100000210623_100000075025 [0,2,0,0,0,0|0,0,0]=2 3110 B10R0.1 C=COC(=O)COC/C=C/C 34a_100016270725_100000036128 [0,2,0,0,0,0|0,0,2]=4 3111 B10R0.1 C=COC(=O)CSC/C=C/C 62a_100000036128_100102629194 [0,2,0,0,0,0|0,0,2]=4 3112 B10R0.1 C=COC(=O)CSC/C=C/C 62a_100102629194_100000036128 [0,2,0,0,0,0|0,0,2]=4 3113 B10R0.1 C=COC(=O)CSCC=CC 62a_100000036128_100000070051 [0,2,0,0,0,0|0,0,2]=4 3114 B10R0.1 C=COC(=O)CSCC=CC 62a_100000070051_100000036128 [0,2,0,0,0,0|0,0,2]=4 3115 B10R0.1 CC#CC(=O)CC/C=C\CC 1458a_100000763181_100015370543 [0,2,0,0,0,0|1,0,1]=4 3116 B10R0.1 CC#CCNCC(=O)OCC 2230a_100000685387_100000188475 [0,2,0,0,0,0|0,0,2]=4 3117 B10R0.1 CC#CCNCC(=O)OCC 34a_100000685387_100000188475 [0,2,0,0,0,0|0,0,2]=4 3118 B10R0.1 CC#CCOCC(=O)OCC 34a_100000761923_100000188475 [0,2,0,0,0,0|0,0,2]=4 3119 B10R0.1 CC#CCSCC(=O)OCC 62a_100000188475_100000748600 [0,2,0,0,0,0|0,0,2]=4 3120 B10R0.1 CC#CCSCC(=O)OCC 62a_100000748600_100000188475 [0,2,0,0,0,0|0,0,2]=4 3121 B10R0.1 CC/C=C\CCC(=O)CCC 1458a_100000211992_100015370543 [0,2,0,0,0,0|1,0,0]=3 3122 B10R0.1 CC/C=C\CCC(=O)CCO 1458a_100011216618_100015370543 [0,2,0,0,0,0|2,0,0]=4 3123 B10R0.1 CC/C=C\CCC(=O)COC 1458a_100000210968_100015370543 [0,2,0,0,0,0|2,0,0]=4 3124 B10R0.1 CC/C=C\CCC(=O)CSC 1458a_100000184570_100015370543 [0,2,0,0,0,0|2,0,0]=4 3125 B10R0.1 CC=CC(=O)CC/C=C\CC 1458a_100000210699_100015370543 [0,2,0,0,0,0|1,0,1]=4 3126 B10R0.1 CC=CCNCC(=O)NCC 2230a_100016988866_100000070051 [0,2,0,0,0,0|1,0,0]=3 3127 B10R0.1 CC=CCSCC(=O)CCC 62a_100000070051_100000747444 [0,2,0,0,0,0|1,0,0]=3 3128 B10R0.1 CC=CCSCC(=O)CCC 62a_100000747444_100000070051 [0,2,0,0,0,0|1,0,0]=3 3129 B10R0.1 CC=CCSCC(=O)NCC 62a_100000070051_100000183381 [0,2,0,0,0,0|1,0,0]=3 3130 B10R0.1 CC=CCSCC(=O)NCC 62a_100000183381_100000070051 [0,2,0,0,0,0|1,0,0]=3 3131 B10R0.1 CC=CCSCC(=O)NCO 62a_100000070051_100000185155 [0,2,0,0,0,0|2,0,0]=4 3132 B10R0.1 CC=CCSCC(=O)NCO 62a_100000185155_100000070051 [0,2,0,0,0,0|2,0,0]=4 3133 B10R0.1 CC=CCSCC(=O)OCC 62a_100000070051_100000188475 [0,2,0,0,0,0|0,0,0]=2 3134 B10R0.1 CC=CCSCC(=O)OCC 62a_100000188475_100000070051 [0,2,0,0,0,0|0,0,0]=2 3135 B10R0.1 CCCC(=O)OCSCC=O 62a_200015260668_100000034017 [0,2,0,0,0,0|2,0,0]=4 3136 B10R0.1 CCCCNCC(=O)OCC 2230a_100000102301_100000188475 [0,2,0,0,0,0|0,0,2]=4 3137 B10R0.1 CCCCNCC(=O)OCC 7a_106832991798_100000188475 [0,2,0,0,0,0|0,0,2]=4 3138 B10R0.1 CCCCOCC(=O)OCC 34a_100000210227_100000188475 [0,2,0,0,0,0|0,0,2]=4 3139 B10R0.1 CCCCOCC(=O)OCC 7a_100000210227_100000188475 [0,2,0,0,0,0|0,0,2]=4 3140 B10R0.1 CCCCSCC(=O)OCC 62a_100000188475_100000210210 [0,2,0,0,0,0|0,0,2]=4 3141 B10R0.1 CCCCSCC(=O)OCC 62a_100000210211_100000188475 [0,2,0,0,0,0|0,0,2]=4 3142 B10R0.1 CCCOCCC(=O)OCC 34a_100000210258_100000765890 [0,2,0,0,0,0|0,0,2]=4 3143 B10R0.1 CCCSCCC(=O)OCC 62a_100000210303_100000765890 [0,2,0,0,0,0|0,0,2]=4 3144 B10R0.1 CCCSCCC(=O)OCC 62a_100000765890_100000210303 [0,2,0,0,0,0|0,0,2]=4 3145 B10R0.1 CCCSCOC(=O)OCC 62a_100000210303_100000075025 [0,2,0,0,0,0|0,0,2]=4 3146 B10R0.1 CCNC(=O)CCNCC=O 34a_100025743525_200009817547 [0,2,0,0,0,0|1,0,1]=4 3147 B10R0.1 CCNC(=O)CCSCC=O 62a_100000737597_200015260668 [0,2,0,0,0,0|1,0,1]=4 3148 B10R0.1 CCNC(=O)CCSCC=O 62a_200015260668_100000737597 [0,2,0,0,0,0|1,0,1]=4 3149 B10R0.1 CCNCCCC(=O)OCC 2230a_100015525214_100009991533 [0,2,0,0,0,0|0,0,2]=4 3150 B10R0.1 CCOC(=O)CCCCNC 2230a_106832991635_100000750268 [0,2,0,0,0,0|0,0,2]=4 3151 B10R0.1 CCOC(=O)CCCCNC 34a_100102657272_100000750268 [0,2,0,0,0,0|0,0,2]=4 3152 B10R0.1 CCOC(=O)CCCCNC 7a_106832991635_100000750268 [0,2,0,0,0,0|0,0,2]=4 3153 B10R0.1 CCOC(=O)CCCCOC 34a_100138415774_100000750268 [0,2,0,0,0,0|0,0,2]=4 3154 B10R0.1 CCOC(=O)CCCCSC 62a_100000750268_200000210301 [0,2,0,0,0,0|0,0,2]=4 3155 B10R0.1 CCOC(=O)CCCCSC 62a_200000210301_100000750268 [0,2,0,0,0,0|0,0,2]=4 3156 B10R0.1 CCOC(=O)CCCCS[13CH3] 62a_100000750268_200025704644 [0,2,0,0,0,0|0,0,2]=4 3157 B10R0.1 CCOC(=O)CCCCS[13CH3] 62a_200025704644_100000750268 [0,2,0,0,0,0|0,0,2]=4 3158 B10R0.1 CCOC(=O)CCCOCF 7a_100012001163_100015361967 [0,2,0,0,0,0|0,0,2]=4 3159 B10R0.1 CCOC(=O)CCCSCC 62a_100000210202_100009991533 [0,2,0,0,0,0|0,0,2]=4 3160 B10R0.1 CCOC(=O)CCCSCC 62a_100009991533_100000210202 [0,2,0,0,0,0|0,0,2]=4 3161 B10R0.1 CCOC(=O)CCCSCF 62a_100009991533_100015361967 [0,2,0,0,0,0|0,0,2]=4 3162 B10R0.1 CCOC(=O)CCCSCF 62a_100015361967_100009991533 [0,2,0,0,0,0|0,0,2]=4 3163 B10R0.1 CCOC(=O)CCNCCF 34a_100000724931_100000765890 [0,2,0,0,0,0|0,0,2]=4 3164 B10R0.1 CCOC(=O)CCNCCO 2230a_100016997473_100011206558 [0,2,0,0,0,0|0,0,2]=4 3165 B10R0.1 CCOC(=O)CCNCCO 34a_100016990907_100000765890 [0,2,0,0,0,0|0,0,2]=4 3166 B10R0.1 CCOC(=O)CCOCCBr 34a_100000211926_100000765890 [0,2,0,0,0,0|0,0,2]=4 3167 B10R0.1 CCOC(=O)CCOCCN 34a_100000210304_100000765890 [0,2,0,0,0,0|0,0,2]=4 3168 B10R0.1 CCOC(=O)CCSCC#N 62a_100000765890_100011215382 [0,2,0,0,0,0|0,0,2]=4 3169 B10R0.1 CCOC(=O)CCSCC#N 62a_100011215382_100000765890 [0,2,0,0,0,0|0,0,2]=4 3170 B10R0.1 CCOC(=O)CCSCC=O 62a_100000765890_200015260668 [0,2,0,0,0,0|0,0,1]=3 3171 B10R0.1 CCOC(=O)CCSCC=O 62a_200015260668_100000765890 [0,2,0,0,0,0|0,0,1]=3 3172 B10R0.1 CCOC(=O)CCSCCF 62a_100000765890_100011217306 [0,2,0,0,0,0|0,0,2]=4 3173 B10R0.1 CCOC(=O)CCSCCF 62a_100011217306_100000765890 [0,2,0,0,0,0|0,0,2]=4 3174 B10R0.1 CCOC(=O)CCSCCO 62a_100000211926_100000765890 [0,2,0,0,0,0|0,0,2]=4 3175 B10R0.1 CCOC(=O)CCSCCO 62a_100000765890_100000211926 [0,2,0,0,0,0|0,0,2]=4 3176 B10R0.1 CCOC(=O)CCSCOC 62a_100000765890_100000766300 [0,2,0,0,0,0|0,0,2]=4 3177 B10R0.1 CCOC(=O)CCSCOC 62a_100000766300_100000765890 [0,2,0,0,0,0|0,0,2]=4 3178 B10R0.1 CCOC(=O)CCSCSC 62a_100000765890_100011218213 [0,2,0,0,0,0|0,0,2]=4 3179 B10R0.1 CCOC(=O)CCSCSC 62a_100011218213_100000765890 [0,2,0,0,0,0|0,0,2]=4 3180 B10R0.1 CCOC(=O)CNCCCF 2230a_100015189416_100000188475 [0,2,0,0,0,0|0,0,2]=4 3181 B10R0.1 CCOC(=O)CNCCCF 34a_100015189416_100000188475 [0,2,0,0,0,0|0,0,2]=4 3182 B10R0.1 CCOC(=O)CNCCOC 2230a_100000209980_100000188475 [0,2,0,0,0,0|0,0,2]=4 3183 B10R0.1 CCOC(=O)CNCCSC 2230a_100020590264_100000188475 [0,2,0,0,0,0|0,0,2]=4 3184 B10R0.1 CCOC(=O)COCCCBr 34a_100011217188_100000188475 [0,2,0,0,0,0|0,0,2]=4 3185 B10R0.1 CCOC(=O)COCCCCl 34a_100000230001_100000188475 [0,2,0,0,0,0|0,0,2]=4 3186 B10R0.1 CCOC(=O)COCCCF 34a_100000759539_100000188475 [0,2,0,0,0,0|0,0,2]=4 3187 B10R0.1 CCOC(=O)COCCCN 34a_100000182051_100000188475 [0,2,0,0,0,0|0,0,2]=4 3188 B10R0.1 CCOC(=O)COCCNC 2230a_106832991635_100000088970 [0,2,0,0,0,0|0,0,2]=4 3189 B10R0.1 CCOC(=O)COCCNC 34a_100102657272_100000088970 [0,2,0,0,0,0|0,0,2]=4 3190 B10R0.1 CCOC(=O)COCCNC 7a_106832991635_100000088970 [0,2,0,0,0,0|0,0,2]=4 3191 B10R0.1 CCOC(=O)COCCOC 34a_100000210237_100000188475 [0,2,0,0,0,0|0,0,2]=4 3192 B10R0.1 CCOC(=O)COCCOC 34a_100138415774_100000088970 [0,2,0,0,0,0|0,0,2]=4 3193 B10R0.1 CCOC(=O)COCCON 34a_100000700252_100000188475 [0,2,0,0,0,0|1,0,1]=4 3194 B10R0.1 CCOC(=O)COCCSC 34a_100000230434_100000188475 [0,2,0,0,0,0|0,0,2]=4 3195 B10R0.1 CCOC(=O)COCCSC 62a_100000088970_200000210301 [0,2,0,0,0,0|0,0,2]=4 3196 B10R0.1 CCOC(=O)COCCSC 62a_200000210301_100000088970 [0,2,0,0,0,0|0,0,2]=4 3197 B10R0.1 CCOC(=O)COCCSC 7a_100000230434_100000188475 [0,2,0,0,0,0|0,0,2]=4 3198 B10R0.1 CCOC(=O)COCCS[13CH3] 62a_100000088970_200025704644 [0,2,0,0,0,0|0,0,2]=4 3199 B10R0.1 CCOC(=O)COCCS[13CH3] 62a_200025704644_100000088970 [0,2,0,0,0,0|0,0,2]=4 3200 B10R0.1 CCOC(=O)CSCCC#N 62a_100000188475_100011215226 [0,2,0,0,0,0|0,0,2]=4 3201 B10R0.1 CCOC(=O)CSCCC#N 62a_100011215226_100000188475 [0,2,0,0,0,0|0,0,2]=4 3202 B10R0.1 CCOC(=O)CSCCCF 62a_100000188475_100011934791 [0,2,0,0,0,0|0,0,2]=4 3203 B10R0.1 CCOC(=O)CSCCCF 62a_100011934791_100000188475 [0,2,0,0,0,0|0,0,2]=4 3204 B10R0.1 CCOC(=O)CSCCCO 62a_100000188475_100011215043 [0,2,0,0,0,0|0,0,2]=4 3205 B10R0.1 CCOC(=O)CSCCCO 62a_100011215043_100000188475 [0,2,0,0,0,0|0,0,2]=4 3206 B10R0.1 CCOC(=O)CSCCOC 62a_100000188475_100000233755 [0,2,0,0,0,0|0,0,2]=4 3207 B10R0.1 CCOC(=O)CSCCOC 62a_100000233755_100000188475 [0,2,0,0,0,0|0,0,2]=4 3208 B10R0.1 CCOC(=O)CSCCOC 7a_200000230590_200000210301 [0,2,0,0,0,0|0,0,2]=4 3209 B10R0.1 CCOC(=O)CSCCO[13CH3] 7a_200000230590_200025704644 [0,2,0,0,0,0|0,0,2]=4 3210 B10R0.1 CCOC(=O)CSCCSC 62a_100000188475_100000751147 [0,2,0,0,0,0|0,0,2]=4 3211 B10R0.1 CCOC(=O)CSCCSC 62a_100000212216_100000188475 [0,2,0,0,0,0|0,0,2]=4 3212 B10R0.1 CCOC(=O)CSCSC#N 62a_100000188475_100000211825 [0,2,0,0,0,0|1,0,1]=4 3213 B10R0.1 CCOC(=O)CSCSC#N 62a_100000211825_100000188475 [0,2,0,0,0,0|1,0,1]=4 3214 B10R0.1 CCOC(=O)NCCOCF 34a_100000158857_100015361967 [0,2,0,0,0,0|1,0,1]=4 3215 B10R0.1 CCOC(=O)NCCSCC 62a_100000210202_200011445536 [0,2,0,0,0,0|0,0,2]=4 3216 B10R0.1 CCOC(=O)NCCSCF 62a_100015361967_200011445536 [0,2,0,0,0,0|1,0,1]=4 3217 B10R0.1 CCOC(=O)OCSCC#N 62a_100011215382_100000075025 [0,2,0,0,0,0|1,0,1]=4 3218 B10R0.1 CCOC(=O)OCSCC=O 62a_200015260668_100000075025 [0,2,0,0,0,0|1,0,0]=3 3219 B10R0.1 CCOC(=O)OCSCCF 62a_100011217306_100000075025 [0,2,0,0,0,0|1,0,1]=4 3220 B10R0.1 CCOC(=O)OCSCCO 62a_100000211926_100000075025 [0,2,0,0,0,0|1,0,1]=4 3221 B10R0.1 CCOC(=O)OCSCOC 62a_100000766300_100000075025 [0,2,0,0,0,0|1,0,1]=4 3222 B10R0.1 CCOC(=O)OCSCSC 62a_100011218213_100000075025 [0,2,0,0,0,0|1,0,1]=4 3223 B10R0.1 CCOCCCC(=O)OCC 34a_100121572206_100009991533 [0,2,0,0,0,0|0,0,2]=4 3224 B10R0.1 CCOCCCC(=O)OCC 7a_100012001163_100000210202 [0,2,0,0,0,0|0,0,2]=4 3225 B10R0.1 CCOCCNC(=O)OCC 34a_100000158857_100000210202 [0,2,0,0,0,0|0,0,2]=4 3226 B10R0.1 CCOCSCC(=O)OCC 62a_100000188475_100000739092 [0,2,0,0,0,0|0,0,2]=4 3227 B10R0.1 CCOCSCC(=O)OCC 62a_100000739092_100000188475 [0,2,0,0,0,0|0,0,2]=4 3228 B10R0.2 C#CCC(=O)CC(=O)OCC 1458a_100000243816_100000184674 [0,2,0,0,0,0|0,0,2]=4 3229 B10R0.2 C#CCC(=O)CC(=O)OCC 1458a_100011220946_100000188475 [0,2,0,0,0,0|0,0,2]=4 3230 B10R0.2 C#CCN(C)CC(=O)OCC 2230a_100000220588_100000038162 [0,2,0,0,0,0|0,0,2]=4 3231 B10R0.2 C#CCN(C)CC(=O)OCC 2230a_100000225692_100000188475 [0,2,0,0,0,0|0,0,2]=4 3232 B10R0.2 C#CCN(C)CC(=O)OCC 34a_100000225692_100000188475 [0,2,0,0,0,0|0,0,2]=4 3233 B10R0.2 C=CCC(=O)CC(=C)CCC 1458a_100000138376_100000210623 [0,2,0,0,0,0|2,0,0]=4 3234 B10R0.2 C=CCC(=O)CC(=O)CCC 1458a_100000210193_100000747444 [0,2,0,0,0,0|1,0,0]=3 3235 B10R0.2 C=CCC(=O)CC(=O)NCC 1458a_100000210193_100000183381 [0,2,0,0,0,0|1,0,0]=3 3236 B10R0.2 C=CCC(=O)CC(=O)NCO 1458a_100000210193_100000185155 [0,2,0,0,0,0|2,0,0]=4 3237 B10R0.2 C=CCC(=O)CC(=O)OC=C 1458a_100000210193_100000036128 [0,2,0,0,0,0|0,0,2]=4 3238 B10R0.2 C=CCC(=O)CC(=O)OCC 1458a_100000210193_100000188475 [0,2,0,0,0,0|0,0,0]=2 3239 B10R0.2 C=CCC(=O)CC(=O)OCC 1458a_100000243816_100000210623 [0,2,0,0,0,0|0,0,0]=2 3240 B10R0.2 C=CCC(=O)CS(=O)CCC 1458a_100011387404_100000210623 [0,2,0,0,0,0|2,0,0]=4 3241 B10R0.2 C=CCN(C)CC(=O)CCC 2230a_100000225617_100000747444 [0,2,0,0,0,0|1,0,0]=3 3242 B10R0.2 C=CCN(C)CC(=O)CCC 269982a_100000225617_100000747444 [0,2,0,0,0,0|1,0,0]=3 3243 B10R0.2 C=CCN(C)CC(=O)NCC 2230a_100000225617_100000183381 [0,2,0,0,0,0|1,0,0]=3 3244 B10R0.2 C=CCN(C)CC(=O)NCC 2230a_100000741943_100000210623 [0,2,0,0,0,0|1,0,0]=3 3245 B10R0.2 C=CCN(C)CC(=O)NCC 269982a_100000225617_100000183381 [0,2,0,0,0,0|1,0,0]=3 3246 B10R0.2 C=CCN(C)CC(=O)NCC 269982a_100000741943_100000210623 [0,2,0,0,0,0|1,0,0]=3 3247 B10R0.2 C=CCN(C)CC(=O)NCO 2230a_100000225617_100000185155 [0,2,0,0,0,0|2,0,0]=4 3248 B10R0.2 C=CCN(C)CC(=O)NCO 269982a_100000225617_100000185155 [0,2,0,0,0,0|2,0,0]=4 3249 B10R0.2 C=CCN(C)CC(=O)OC=C 2230a_100000225617_100000036128 [0,2,0,0,0,0|0,0,2]=4 3250 B10R0.2 C=CCN(C)CC(=O)OC=C 269982a_100000225617_100000036128 [0,2,0,0,0,0|0,0,2]=4 3251 B10R0.2 C=CCN(C)CC(=O)OCC 2230a_100000220588_100000210623 [0,2,0,0,0,0|0,0,0]=2 3252 B10R0.2 C=CCN(C)CC(=O)OCC 2230a_100000225617_100000188475 [0,2,0,0,0,0|0,0,0]=2 3253 B10R0.2 C=CCN(C)CC(=O)OCC 269982a_100000225617_100000188475 [0,2,0,0,0,0|0,0,0]=2 3254 B10R0.2 C=COC(=O)CC(=O)CCC 1458a_100000211992_100000036128 [0,2,0,0,0,0|1,0,1]=4 3255 B10R0.2 CC=CC(=O)CC(=O)CCC 1458a_100000210699_100000747444 [0,2,0,0,0,0|1,0,1]=4 3256 B10R0.2 CC=CC(=O)CC(=O)NCC 1458a_100000210699_100000183381 [0,2,0,0,0,0|1,0,1]=4 3257 B10R0.2 CC=CC(=O)CC(=O)OCC 1458a_100000210699_100000188475 [0,2,0,0,0,0|0,0,1]=3 3258 B10R0.2 CCCC(=O)CC(=O)C=CBr 1458a_100016273825_100000747444 [0,2,0,0,0,0|1,0,1]=4 3259 B10R0.2 CCCC(=O)CC(=O)C=CCl 1458a_200016279998_100000747444 [0,2,0,0,0,0|1,0,1]=4 3260 B10R0.2 CCCC(=O)CC(=O)C=CI 1458a_100016256311_100000747444 [0,2,0,0,0,0|1,0,1]=4 3261 B10R0.2 CCCC(=O)CC(=O)OCC 1458a_100000211992_100000188475 [0,2,0,0,0,0|0,0,2]=4 3262 B10R0.2 CCCC(=O)CC(=O)OCC 1458a_100000243816_100000210303 [0,2,0,0,0,0|0,0,2]=4 3263 B10R0.2 CCCN(C)CC(=O)OCC 2230a_100000220588_100000210303 [0,2,0,0,0,0|0,0,2]=4 3264 B10R0.2 CCCN(C)CC(=O)OCC 2230a_100000221057_200000210301 [0,2,0,0,0,0|0,0,2]=4 3265 B10R0.2 CCCN(C)CC(=O)OCC 2230a_100000747261_100000188475 [0,2,0,0,0,0|0,0,2]=4 3266 B10R0.2 CCCN(C)CC(=O)OCC 269982a_100000221057_200000210301 [0,2,0,0,0,0|0,0,2]=4 3267 B10R0.2 CCCN(C)CC(=O)OCC 269982a_100000747261_100000188475 [0,2,0,0,0,0|0,0,2]=4 3268 B10R0.2 CCCN([13CH3])CC(=O)OCC 2230a_100000221057_200025704644 [0,2,0,0,0,0|0,0,2]=4 3269 B10R0.2 CCCN([13CH3])CC(=O)OCC 269982a_100000221057_200025704644 [0,2,0,0,0,0|0,0,2]=4 3270 B10R0.2 CCNC(=O)CC(=O)C=CBr 1458a_100016273825_100000183381 [0,2,0,0,0,0|1,0,1]=4 3271 B10R0.2 CCNC(=O)CC(=O)C=CCl 1458a_200016279998_100000183381 [0,2,0,0,0,0|1,0,1]=4 3272 B10R0.2 CCNC(=O)CC(=O)C=CI 1458a_100016256311_100000183381 [0,2,0,0,0,0|1,0,1]=4 3273 B10R0.2 CCNC(=O)CN(C)CC=O 2230a_100000741943_200015260668 [0,2,0,0,0,0|2,0,0]=4 3274 B10R0.2 CCNC(=O)CN(C)CC=O 269982a_100000741943_200015260668 [0,2,0,0,0,0|2,0,0]=4 3275 B10R0.2 CCNC(C)CC(=O)OCC 2230a_100015525214_100009817359 [0,2,0,0,0,0|0,0,2]=4 3276 B10R0.2 CCOC(=O)CC(=O)C=CBr 1458a_100016273825_100000188475 [0,2,0,0,0,0|0,0,1]=3 3277 B10R0.2 CCOC(=O)CC(=O)C=CCl 1458a_200016279998_100000188475 [0,2,0,0,0,0|0,0,1]=3 3278 B10R0.2 CCOC(=O)CC(=O)C=CI 1458a_100016256311_100000188475 [0,2,0,0,0,0|0,0,1]=3 3279 B10R0.2 CCOC(=O)CC(=O)CC#N 1458a_100000243816_100011214920 [0,2,0,0,0,0|1,0,1]=4 3280 B10R0.2 CCOC(=O)CC(=O)CC#N 1458a_100051588842_100000188475 [0,2,0,0,0,0|1,0,1]=4 3281 B10R0.2 CCOC(=O)CC(=O)CCF 1458a_100000243816_100011217306 [0,2,0,0,0,0|1,0,1]=4 3282 B10R0.2 CCOC(=O)CC(=O)CCO 1458a_100000243816_100000211926 [0,2,0,0,0,0|1,0,1]=4 3283 B10R0.2 CCOC(=O)CC(=O)CCO 1458a_100011216618_100000188475 [0,2,0,0,0,0|1,0,1]=4 3284 B10R0.2 CCOC(=O)CC(=O)COC 1458a_100000210968_100000188475 [0,2,0,0,0,0|1,0,1]=4 3285 B10R0.2 CCOC(=O)CC(=O)CSC 1458a_100000184570_100000188475 [0,2,0,0,0,0|1,0,1]=4 3286 B10R0.2 CCOC(=O)CC(=O)CSC 62a_100000210311_200000210301 [0,2,0,0,0,0|1,0,1]=4 3287 B10R0.2 CCOC(=O)CC(=O)CSC 62a_200000210301_100000210311 [0,2,0,0,0,0|1,0,1]=4 3288 B10R0.2 CCOC(=O)CC(=O)CS[13CH3] 62a_100000210311_200025704644 [0,2,0,0,0,0|1,0,1]=4 3289 B10R0.2 CCOC(=O)CC(=O)CS[13CH3] 62a_200025704644_100000210311 [0,2,0,0,0,0|1,0,1]=4 3290 B10R0.2 CCOC(=O)CC(C)SCC 62a_100000210202_100009817359 [0,2,0,0,0,0|0,0,2]=4 3291 B10R0.2 CCOC(=O)CC(C)SCC 62a_100009817359_100000210202 [0,2,0,0,0,0|0,0,2]=4 3292 B10R0.2 CCOC(=O)CC(C)SCF 62a_100009817359_100015361967 [0,2,0,0,0,0|1,0,1]=4 3293 B10R0.2 CCOC(=O)CC(C)SCF 62a_100015361967_100009817359 [0,2,0,0,0,0|1,0,1]=4 3294 B10R0.2 CCOC(=O)CN(C)CC#N 2230a_100000220588_100011215382 [0,2,0,0,0,0|1,0,1]=4 3295 B10R0.2 CCOC(=O)CN(C)CC#N 2230a_100000748184_100000188475 [0,2,0,0,0,0|1,0,1]=4 3296 B10R0.2 CCOC(=O)CN(C)CC=O 2230a_100000220588_200015260668 [0,2,0,0,0,0|1,0,0]=3 3297 B10R0.2 CCOC(=O)CN(C)CCF 2230a_100000220588_100011217306 [0,2,0,0,0,0|1,0,1]=4 3298 B10R0.2 CCOC(=O)CN(C)CCO 2230a_100000210263_100000188475 [0,2,0,0,0,0|1,0,1]=4 3299 B10R0.2 CCOC(=O)CN(C)CCO 2230a_100000220588_100000211926 [0,2,0,0,0,0|1,0,1]=4 3300 B10R0.2 CCOC(=O)CN(C)CCO 269982a_100000210263_100000188475 [0,2,0,0,0,0|1,0,1]=4 3301 B10R0.2 CCOC(=O)CN(C)COC 2230a_100000220588_100000766300 [0,2,0,0,0,0|1,0,1]=4 3302 B10R0.2 CCOC(=O)CN(C)CSC 2230a_100000220588_100011218213 [0,2,0,0,0,0|1,0,1]=4 3303 B10R0.2 CCOC(=O)C[C@@H](C)OCC 7a_100009816390_100000210202 [0,2,0,0,0,0|0,0,2]=4 3304 B10R0.2 CCOC(=O)C[C@@H](C)OCF 7a_100009816390_100015361967 [0,2,0,0,0,0|1,0,1]=4 3305 B10R0.2 CCOC(=O)C[C@H](O)CNC 34a_100102657272_100000688340 [0,2,0,0,0,0|0,0,2]=4 3306 B10R0.2 CCOC(=O)C[C@H](O)CNC 7a_106832991635_100000688340 [0,2,0,0,0,0|0,0,2]=4 3307 B10R0.2 CCOC(=O)C[C@H](O)COC 34a_100138415774_100000688340 [0,2,0,0,0,0|0,0,2]=4 3308 B10R0.2 CCOC(=O)C[C@H](O)CSC 62a_100000688340_200000210301 [0,2,0,0,0,0|0,0,2]=4 3309 B10R0.2 CCOC(=O)C[C@H](O)CSC 62a_200000210301_100000688340 [0,2,0,0,0,0|0,0,2]=4 3310 B10R0.2 CCOC(=O)C[C@H](O)CS[13CH3] 62a_100000688340_200025704644 [0,2,0,0,0,0|0,0,2]=4 3311 B10R0.2 CCOC(=O)C[C@H](O)CS[13CH3] 62a_200025704644_100000688340 [0,2,0,0,0,0|0,0,2]=4 3312 B10R0.3 C=C(C)CNCC(=O)NCC 2230a_100016988866_100000748629 [0,2,0,0,0,0|1,0,0]=3 3313 B10R0.3 C=C(C)CNNC(=O)CCC 22a_100000729518_100000211992 [0,2,0,0,0,0|2,0,0]=4 3314 B10R0.3 C=C(C)CNNC(=O)NCC 273464a_100015525214_100000729518 [0,2,0,0,0,0|2,0,0]=4 3315 B10R0.3 C=C(C)CNNC(=O)NCC 512a_100000729518_100015525214 [0,2,0,0,0,0|2,0,0]=4 3316 B10R0.3 C=C(C)CNNC(=O)NCC 512a_100015525214_100000729518 [0,2,0,0,0,0|2,0,0]=4 3317 B10R0.3 C=C(C)COCC(=O)NCC 34a_100000210245_100000183381 [0,2,0,0,0,0|1,0,0]=3 3318 B10R0.3 C=C(C)COCC(=O)NCO 34a_100000210245_100000185155 [0,2,0,0,0,0|2,0,0]=4 3319 B10R0.3 C=C(C)COCC(=O)OCC 34a_100000210245_100000188475 [0,2,0,0,0,0|0,0,0]=2 3320 B10R0.3 C=C(C)CSCC(=O)CCC 62a_100000747444_100000211660 [0,2,0,0,0,0|1,0,0]=3 3321 B10R0.3 C=C(C)CSCC(=O)CCC 62a_100000748629_100000747444 [0,2,0,0,0,0|1,0,0]=3 3322 B10R0.3 C=C(C)CSCC(=O)NCC 62a_100000183381_100000211660 [0,2,0,0,0,0|1,0,0]=3 3323 B10R0.3 C=C(C)CSCC(=O)NCC 62a_100000748629_100000183381 [0,2,0,0,0,0|1,0,0]=3 3324 B10R0.3 C=C(C)CSCC(=O)NCO 62a_100000185155_100000211660 [0,2,0,0,0,0|2,0,0]=4 3325 B10R0.3 C=C(C)CSCC(=O)NCO 62a_100000748629_100000185155 [0,2,0,0,0,0|2,0,0]=4 3326 B10R0.3 C=C(C)CSCC(=O)OCC 62a_100000188475_100000211660 [0,2,0,0,0,0|0,0,0]=2 3327 B10R0.3 C=C(C)CSCC(=O)OCC 62a_100000748629_100000188475 [0,2,0,0,0,0|0,0,0]=2 3328 B10R0.3 C=C(F)CNCC(=O)NCC 2230a_100016988866_100009893438 [0,2,0,0,0,0|1,0,0]=3 3329 B10R0.3 C=C(F)COCC(=O)NCC 34a_200010262243_100000183381 [0,2,0,0,0,0|1,0,0]=3 3330 B10R0.3 C=C(F)COCC(=O)NCO 34a_200010262243_100000185155 [0,2,0,0,0,0|2,0,0]=4 3331 B10R0.3 C=C(F)COCC(=O)OCC 34a_200010262243_100000188475 [0,2,0,0,0,0|0,0,0]=2 3332 B10R0.3 C=C(F)CSCC(=O)CCC 62a_100000042424_100000747444 [0,2,0,0,0,0|1,0,0]=3 3333 B10R0.3 C=C(F)CSCC(=O)CCC 62a_100000747444_100000042424 [0,2,0,0,0,0|1,0,0]=3 3334 B10R0.3 C=C(F)CSCC(=O)NCC 62a_100000042424_100000183381 [0,2,0,0,0,0|1,0,0]=3 3335 B10R0.3 C=C(F)CSCC(=O)NCC 62a_100000183381_100000042424 [0,2,0,0,0,0|1,0,0]=3 3336 B10R0.3 C=C(F)CSCC(=O)NCO 62a_100000042424_100000185155 [0,2,0,0,0,0|2,0,0]=4 3337 B10R0.3 C=C(F)CSCC(=O)NCO 62a_100000185155_100000042424 [0,2,0,0,0,0|2,0,0]=4 3338 B10R0.3 C=C(F)CSCC(=O)OCC 62a_100000042424_100000188475 [0,2,0,0,0,0|0,0,0]=2 3339 B10R0.3 C=C(F)CSCC(=O)OCC 62a_100000188475_100000042424 [0,2,0,0,0,0|0,0,0]=2 3340 B10R0.3 C=COC(=O)COCC(=C)C 34a_100000210245_100000036128 [0,2,0,0,0,0|0,0,2]=4 3341 B10R0.3 C=COC(=O)COCC(=C)F 34a_200010262243_100000036128 [0,2,0,0,0,0|0,0,2]=4 3342 B10R0.3 C=COC(=O)CSCC(=C)C 62a_100000036128_100000211660 [0,2,0,0,0,0|0,0,2]=4 3343 B10R0.3 C=COC(=O)CSCC(=C)C 62a_100000748629_100000036128 [0,2,0,0,0,0|0,0,2]=4 3344 B10R0.3 C=COC(=O)CSCC(=C)F 62a_100000036128_100000042424 [0,2,0,0,0,0|0,0,2]=4 3345 B10R0.3 C=COC(=O)CSCC(=C)F 62a_100000042424_100000036128 [0,2,0,0,0,0|0,0,2]=4 3346 B10R0.3 CC#CC(=O)CCC=C(C)C 1458a_100000763181_100011217483 [0,2,0,0,0,0|1,0,1]=4 3347 B10R0.3 CC#CC(=O)CCC=C(F)F 1458a_100000763181_200009816681 [0,2,0,0,0,0|1,0,1]=4 3348 B10R0.3 CC(=CCCC(=O)CCO)C 1458a_100011216618_100011217483 [0,2,0,0,0,0|2,0,0]=4 3349 B10R0.3 CC=CC(=O)CCC=C(C)C 1458a_100000210699_100011217483 [0,2,0,0,0,0|1,0,1]=4 3350 B10R0.3 CC=CC(=O)CCC=C(F)F 1458a_100000210699_200009816681 [0,2,0,0,0,0|1,0,1]=4 3351 B10R0.3 CCCC(=O)CCC=C(C)C 1458a_100000211992_100011217483 [0,2,0,0,0,0|1,0,0]=3 3352 B10R0.3 CCCC(=O)CCC=C(F)F 1458a_100000211992_200009816681 [0,2,0,0,0,0|1,0,0]=3 3353 B10R0.3 CCCC(=O)CCCC(=O)C 1458a_100000211992_100011215641 [0,2,0,0,0,0|1,0,1]=4 3354 B10R0.3 CCCC(=O)CCCC(=O)N 1458a_100000211992_100102525003 [0,2,0,0,0,0|1,0,1]=4 3355 B10R0.3 CCCC(=O)CCN=C(N)N 1458a_100000033030_100000210303 [0,2,0,0,0,0|2,0,0]=4 3356 B10R0.3 CCCC(=O)CCNC(=O)C 1458a_100000183196_100000210303 [0,2,0,0,0,0|1,0,1]=4 3357 B10R0.3 CCCC(=O)CCNC(=O)C 1458a_100000211992_100000189650 [0,2,0,0,0,0|1,0,1]=4 3358 B10R0.3 CCCC(=O)CCNC(=O)N 1458a_100000181464_100000210303 [0,2,0,0,0,0|2,0,0]=4 3359 B10R0.3 CCCC(=O)CCNC(=O)N 1458a_100000211992_200000034859 [0,2,0,0,0,0|2,0,0]=4 3360 B10R0.3 CCCC(=O)CCOC(=O)C 1458a_100000211992_100009814007 [0,2,0,0,0,0|1,0,1]=4 3361 B10R0.3 CCCC(=O)CCOC(=O)N 1458a_100000211992_200011214921 [0,2,0,0,0,0|2,0,0]=4 3362 B10R0.3 CCCC(=O)CCSC(=O)C 1458a_100000048949_100000210303 [0,2,0,0,0,0|1,0,1]=4 3363 B10R0.3 CCCC(=O)CNCC(=O)N 2230a_100000711301_100000747444 [0,2,0,0,0,0|2,0,0]=4 3364 B10R0.3 CCCC(=O)CNCC(=O)O 269956a_100016091260_100000747444 [0,2,0,0,0,0|2,0,0]=4 3365 B10R0.3 CCCC(=O)COCC(=O)N 1458a_100011219004_100000210303 [0,2,0,0,0,0|2,0,0]=4 3366 B10R0.3 CCCC(=O)CSCC(=O)N 62a_100000747444_100000747473 [0,2,0,0,0,0|2,0,0]=4 3367 B10R0.3 CCCC(=O)CSCC(=O)N 62a_100000747473_100000747444 [0,2,0,0,0,0|2,0,0]=4 3368 B10R0.3 CCCC(=O)CSCC(=O)[O-] 62a_100000747444_100020667443 [0,2,0,0,0,0|2,0,0]=4 3369 B10R0.3 CCCC(=O)CSCC(=O)[O-] 62a_100020667443_100000747444 [0,2,0,0,0,0|2,0,0]=4 3370 B10R0.3 CCCC(=O)NCC=C(C)C 11a_100000718196_100000211992 [0,2,0,0,0,0|2,0,0]=4 3371 B10R0.3 CCCC(=O)NCC=C(C)C 1626a_100000718196_100000211992 [0,2,0,0,0,0|2,0,0]=4 3372 B10R0.3 CCCC(=O)NCC=C(C)C 527a_100000718196_100000211992 [0,2,0,0,0,0|2,0,0]=4 3373 B10R0.3 CCCC(=O)NCCC(=O)N 11a_100000740010_100000211992 [0,2,0,0,0,0|2,0,0]=4 3374 B10R0.3 CCCC(=O)NCCC(=O)N 240690a_100000740010_100000211992 [0,2,0,0,0,0|2,0,0]=4 3375 B10R0.3 CCCC(=O)NCCC(=O)N 527a_100000740010_100000211992 [0,2,0,0,0,0|2,0,0]=4 3376 B10R0.3 CCNC(=O)CCCC(=O)C 1458a_100000199580_200000210301 [0,2,0,0,0,0|1,0,1]=4 3377 B10R0.3 CCNC(=O)CCCC(=O)[13CH3] 1458a_100000199580_200025704644 [0,2,0,0,0,0|1,0,1]=4 3378 B10R0.3 CCNC(=O)CCN=C(N)N 240690a_100015525214_100000033030 [0,2,0,0,0,0|2,0,0]=4 3379 B10R0.3 CCNC(=O)CCNC(=O)C 11a_100015525214_100000183196 [0,2,0,0,0,0|1,0,1]=4 3380 B10R0.3 CCNC(=O)CCNC(=O)C 11a_100025743525_100015343762 [0,2,0,0,0,0|1,0,1]=4 3381 B10R0.3 CCNC(=O)CCNC(=O)C 1626a_100025743525_100015343762 [0,2,0,0,0,0|1,0,1]=4 3382 B10R0.3 CCNC(=O)CCNC(=O)C 240690a_100015525214_100000183196 [0,2,0,0,0,0|1,0,1]=4 3383 B10R0.3 CCNC(=O)CCNC(=O)C 240690a_100025743525_100015343762 [0,2,0,0,0,0|1,0,1]=4 3384 B10R0.3 CCNC(=O)CCNC(=O)C 527a_100015525214_100000183196 [0,2,0,0,0,0|1,0,1]=4 3385 B10R0.3 CCNC(=O)CCNC(=O)C 527a_100025743525_100103153847 [0,2,0,0,0,0|1,0,1]=4 3386 B10R0.3 CCNC(=O)CCNC(=O)N 240690a_100015525214_100000181464 [0,2,0,0,0,0|2,0,0]=4 3387 B10R0.3 CCNC(=O)CCNC(=O)N 527a_100015525214_100000181464 [0,2,0,0,0,0|2,0,0]=4 3388 B10R0.3 CCNC(=O)CCSC(=O)C 240690a_100015525214_100000048949 [0,2,0,0,0,0|1,0,1]=4 3389 B10R0.3 CCNC(=O)CNCC(=O)N 2230a_100000711301_100000183381 [0,2,0,0,0,0|2,0,0]=4 3390 B10R0.3 CCNC(=O)CNCC(=O)N 2230a_100016988866_100000747473 [0,2,0,0,0,0|2,0,0]=4 3391 B10R0.3 CCNC(=O)CNCC(=O)O 269956a_100016091260_100000183381 [0,2,0,0,0,0|2,0,0]=4 3392 B10R0.3 CCNC(=O)COCC(=O)C 34a_100000211253_100000183381 [0,2,0,0,0,0|1,0,1]=4 3393 B10R0.3 CCNC(=O)COCC(=O)N 240690a_100015525214_100011219004 [0,2,0,0,0,0|2,0,0]=4 3394 B10R0.3 CCNC(=O)COCC(=O)N 527a_100015525214_100011219004 [0,2,0,0,0,0|2,0,0]=4 3395 B10R0.3 CCNC(=O)CSCC(=O)N 11a_100015525214_100000150265 [0,2,0,0,0,0|2,0,0]=4 3396 B10R0.3 CCNC(=O)CSCC(=O)N 240690a_100015525214_100000150265 [0,2,0,0,0,0|2,0,0]=4 3397 B10R0.3 CCNC(=O)CSCC(=O)N 527a_100015525214_100000150265 [0,2,0,0,0,0|2,0,0]=4 3398 B10R0.3 CCNC(=O)CSCC(=O)N 62a_100000183381_100000747473 [0,2,0,0,0,0|2,0,0]=4 3399 B10R0.3 CCNC(=O)CSCC(=O)N 62a_100000747473_100000183381 [0,2,0,0,0,0|2,0,0]=4 3400 B10R0.3 CCNC(=O)CSCC(=O)[O-] 62a_100000183381_100020667443 [0,2,0,0,0,0|2,0,0]=4 3401 B10R0.3 CCNC(=O)CSCC(=O)[O-] 62a_100020667443_100000183381 [0,2,0,0,0,0|2,0,0]=4 3402 B10R0.3 CCNC(=O)NCC=C(C)C 2708a_100000718196_100015525214 [0,2,0,0,0,0|2,0,0]=4 3403 B10R0.3 CCNC(=O)NCC=C(C)C 2708a_100015525214_100000718196 [0,2,0,0,0,0|2,0,0]=4 3404 B10R0.3 CCNC(=O)NCC=C(C)C 273464a_100000718196_100015525214 [0,2,0,0,0,0|2,0,0]=4 3405 B10R0.3 CCNC(=O)NCC=C(C)C 273464a_100015525214_100000718196 [0,2,0,0,0,0|2,0,0]=4 3406 B10R0.3 CCNC(=O)NCC=C(C)C 512a_100000718196_100015525214 [0,2,0,0,0,0|2,0,0]=4 3407 B10R0.3 CCNC(=O)NCC=C(C)C 512a_100015525214_100000718196 [0,2,0,0,0,0|2,0,0]=4 3408 B10R0.3 CCNC(=O)NCCC(=O)N 2708a_100015525214_100000740010 [0,2,0,0,0,0|2,0,0]=4 3409 B10R0.3 CCNC(=O)NCCC(=O)N 273464a_100000740010_100015525214 [0,2,0,0,0,0|2,0,0]=4 3410 B10R0.3 CCNC(=O)NCCC(=O)N 273464a_100015525214_100000740010 [0,2,0,0,0,0|2,0,0]=4 3411 B10R0.3 CCNC(=O)NCCC(=O)N 512a_100015525214_100000740010 [0,2,0,0,0,0|2,0,0]=4 3412 B10R0.3 CCOC(=O)CCCC(=O)C 1458a_100000070787_100011215271 [0,2,0,0,0,0|0,0,1]=3 3413 B10R0.3 CCOC(=O)CCCC(=O)C 1458a_100000210991_200000210301 [0,2,0,0,0,0|0,0,1]=3 3414 B10R0.3 CCOC(=O)CCCC(=O)[13CH3] 1458a_100000210991_200025704644 [0,2,0,0,0,0|0,0,1]=3 3415 B10R0.3 CCOC(=O)CCCN(C)C 2230a_100102631434_100009991533 [0,2,0,0,0,0|0,0,2]=4 3416 B10R0.3 CCOC(=O)CCCN(C)C 269982a_100102631434_100009991533 [0,2,0,0,0,0|0,0,2]=4 3417 B10R0.3 CCOC(=O)CCNC(=O)C 188690a_100000746078_100015343762 [0,2,0,0,0,0|0,0,1]=3 3418 B10R0.3 CCOC(=O)CCNC(C)C 2230a_100138425928_100011206558 [0,2,0,0,0,0|0,0,2]=4 3419 B10R0.3 CCOC(=O)CCNC(C)C 34a_100138425928_100000765890 [0,2,0,0,0,0|0,0,2]=4 3420 B10R0.3 CCOC(=O)CCOC(C)C 34a_100000212225_100000765890 [0,2,0,0,0,0|0,0,2]=4 3421 B10R0.3 CCOC(=O)CCSC(C)C 62a_100000210206_100000765890 [0,2,0,0,0,0|0,0,2]=4 3422 B10R0.3 CCOC(=O)CCSC(C)C 62a_100000765890_100000210206 [0,2,0,0,0,0|0,0,2]=4 3423 B10R0.3 CCOC(=O)CNCC(=O)N 2230a_100000711301_100000188475 [0,2,0,0,0,0|1,0,0]=3 3424 B10R0.3 CCOC(=O)CNCC(=O)O 269956a_100016091260_100000188475 [0,2,0,0,0,0|1,0,0]=3 3425 B10R0.3 CCOC(=O)CNCC(C)C 2230a_100000210953_100000188475 [0,2,0,0,0,0|0,0,2]=4 3426 B10R0.3 CCOC(=O)CNCC(C)C 34a_100000210953_100000188475 [0,2,0,0,0,0|0,0,2]=4 3427 B10R0.3 CCOC(=O)CNCC(C)O 2230a_100000210904_100000188475 [0,2,0,0,0,0|0,0,2]=4 3428 B10R0.3 CCOC(=O)CNCC(C)O 34a_100000210904_100000188475 [0,2,0,0,0,0|0,0,2]=4 3429 B10R0.3 CCOC(=O)CNCC(F)F 34a_100000765723_100000188475 [0,2,0,0,0,0|1,0,1]=4 3430 B10R0.3 CCOC(=O)COCC(=O)C 34a_100000211253_100000188475 [0,2,0,0,0,0|0,0,1]=3 3431 B10R0.3 CCOC(=O)COCC(C)Br 34a_100012180447_100000188475 [0,2,0,0,0,0|0,0,2]=4 3432 B10R0.3 CCOC(=O)COCC(C)C 34a_100000210257_100000188475 [0,2,0,0,0,0|0,0,2]=4 3433 B10R0.3 CCOC(=O)COCC(C)F 34a_100015925927_100000188475 [0,2,0,0,0,0|0,0,2]=4 3434 B10R0.3 CCOC(=O)COCC(F)F 34a_100000743014_100000188475 [0,2,0,0,0,0|1,0,1]=4 3435 B10R0.3 CCOC(=O)COC[C@@H](C)Cl 34a_100016084084_100000188475 [0,2,0,0,0,0|0,0,2]=4 3436 B10R0.3 CCOC(=O)COC[C@@H](C)N 34a_100000737577_100000188475 [0,2,0,0,0,0|0,0,2]=4 3437 B10R0.3 CCOC(=O)CSCC(=O)N 62a_100000188475_100000747473 [0,2,0,0,0,0|1,0,0]=3 3438 B10R0.3 CCOC(=O)CSCC(=O)N 62a_100000747473_100000188475 [0,2,0,0,0,0|1,0,0]=3 3439 B10R0.3 CCOC(=O)CSCC(=O)[O-] 62a_100000188475_100020667443 [0,2,0,0,0,0|1,0,0]=3 3440 B10R0.3 CCOC(=O)CSCC(=O)[O-] 62a_100020667443_100000188475 [0,2,0,0,0,0|1,0,0]=3 3441 B10R0.3 CCOC(=O)CSCC(C)C 62a_100000188475_100000210760 [0,2,0,0,0,0|0,0,2]=4 3442 B10R0.3 CCOC(=O)CSCC(C)C 62a_100000210624_100000188475 [0,2,0,0,0,0|0,0,2]=4 3443 B10R0.3 CCOC(=O)CSCC(C)O 62a_100000188475_100011218427 [0,2,0,0,0,0|0,0,2]=4 3444 B10R0.3 CCOC(=O)CSCC(C)O 62a_100011218427_100000188475 [0,2,0,0,0,0|0,0,2]=4 3445 B10R0.3 CCOC(=O)CSCC(F)F 62a_100000188475_100011934356 [0,2,0,0,0,0|1,0,1]=4 3446 B10R0.3 CCOC(=O)CSCC(F)F 62a_100011934356_100000188475 [0,2,0,0,0,0|1,0,1]=4 3447 B10R0.3 CCOC(=O)CSC[C@@H](C)O 62a_100000188475_100009817552 [0,2,0,0,0,0|0,0,2]=4 3448 B10R0.3 CCOC(=O)CSC[C@@H](C)O 62a_100009817552_100000188475 [0,2,0,0,0,0|0,0,2]=4 3449 B10R0.3 CCOC(=O)CSC[N+](=O)[O-] 62a_100000188475_100000761209 [0,2,0,0,0,0|2,0,0]=4 3450 B10R0.3 CCOC(=O)NCCC(=O)C 1458a_100000070787_200011445536 [0,2,0,0,0,0|0,0,1]=3 3451 B10R0.3 CCOC(=O)NCCN(C)C 269982a_100102631434_200011445536 [0,2,0,0,0,0|1,0,1]=4 3452 B10R0.3 CCOC(C)CCC=C(C)C 34a_100102619829_100000210202 [0,2,0,0,0,0|1,0,1]=4 3453 B10R0.3 CCOC(C)CCC=C(C)C 7a_100102619829_100000210202 [0,2,0,0,0,0|1,0,1]=4 3454 B10R0.3 COCC(=O)CCC=C(C)C 1458a_100000210968_100011217483 [0,2,0,0,0,0|2,0,0]=4 3455 B10R0.3 COCC(=O)CCC=C(F)F 1458a_100000210968_200009816681 [0,2,0,0,0,0|2,0,0]=4 3456 B10R0.3 CSCC(=O)CCC=C(C)C 1458a_100000184570_100011217483 [0,2,0,0,0,0|2,0,0]=4 3457 B10R0.3 CSCC(=O)CCC=C(F)F 1458a_100000184570_200009816681 [0,2,0,0,0,0|2,0,0]=4 3458 B10R0.3 O=C(CCO)CCC=C(F)F 1458a_100011216618_200009816681 [0,2,0,0,0,0|2,0,0]=4 3459 B10R0.19 C#CCCC(=O)C(C)CC=C 1458a_100011216819_100000753159 [0,2,0,0,0,0|1,0,1]=4 3460 B10R0.19 C#CCCC(=O)C(C)OCC 1458a_100000739345_100000753159 [0,2,0,0,0,0|0,0,2]=4 3461 B10R0.19 C#CCN(C)C(=O)CCC=C 11a_100000225692_100000749702 [0,2,0,0,0,0|1,0,1]=4 3462 B10R0.19 C#CCN(C)C(=O)CCC=C 1626a_100000225692_100000749702 [0,2,0,0,0,0|1,0,1]=4 3463 B10R0.19 C#CCN(C)C(=O)CCC=C 527a_100000225692_100000749702 [0,2,0,0,0,0|1,0,1]=4 3464 B10R0.19 C#CCNC(=O)C(C)CC=C 11a_100000212058_100011216819 [0,2,0,0,0,0|1,0,1]=4 3465 B10R0.19 C#CCNC(=O)C(C)CC=C 1626a_100000212058_100011216819 [0,2,0,0,0,0|1,0,1]=4 3466 B10R0.19 C#CCNC(=O)C(C)CC=C 240690a_100000212058_100011216819 [0,2,0,0,0,0|1,0,1]=4 3467 B10R0.19 C#CCNC(=O)C(C)CC=C 527a_100000212058_100011216819 [0,2,0,0,0,0|1,0,1]=4 3468 B10R0.19 C#CCNC(C)C(=O)OCC 34a_100000212058_100011216346 [0,2,0,0,0,0|0,0,2]=4 3469 B10R0.19 C#CCNC(F)C(=O)OCC 34a_100000212058_100000760018 [0,2,0,0,0,0|0,0,2]=4 3470 B10R0.19 C#CCOC(C)C(=O)OCC 34a_100000210247_100011216346 [0,2,0,0,0,0|0,0,2]=4 3471 B10R0.19 C#CCOC(F)C(=O)OCC 34a_100000210247_100000760018 [0,2,0,0,0,0|0,0,2]=4 3472 B10R0.19 C#CCO[C@@H](C)C(=O)OCC 7a_100000751109_100000038162 [0,2,0,0,0,0|0,0,2]=4 3473 B10R0.19 C#CCSC(C)C(=O)OCC 62a_100000038162_100011216346 [0,2,0,0,0,0|0,0,2]=4 3474 B10R0.19 C#CCSC(F)C(=O)OCC 62a_100000038162_100000760018 [0,2,0,0,0,0|0,0,2]=4 3475 B10R0.19 C/C=C/CC(=O)C(=O)NCC 1458a_200011297158_100102629194 [0,2,0,0,0,0|1,0,1]=4 3476 B10R0.19 C/C=C/CC(=O)C(C)OCC 1458a_100000739345_100102629194 [0,2,0,0,0,0|0,0,2]=4 3477 B10R0.19 C=CCC(=O)C(=O)NCCC 1458a_200011297150_100000210623 [0,2,0,0,0,0|1,0,1]=4 3478 B10R0.19 C=CCC(C)C(=O)C/C=C/C 1458a_100011216819_100102629194 [0,2,0,0,0,0|1,0,1]=4 3479 B10R0.19 C=CCC(C)C(=O)CC#CC 1458a_100011216819_100000748600 [0,2,0,0,0,0|1,0,1]=4 3480 B10R0.19 C=CCC(C)C(=O)CC=CC 1458a_100011216819_100000070051 [0,2,0,0,0,0|1,0,1]=4 3481 B10R0.19 C=CCC(C)C(=O)CCC#N 1458a_100011216819_100011215226 [0,2,0,0,0,0|1,0,1]=4 3482 B10R0.19 C=CCC(C)C(=O)CCCC 1458a_100011216819_100000210211 [0,2,0,0,0,0|1,0,0]=3 3483 B10R0.19 C=CCC(C)C(=O)CCCF 1458a_100011216819_100011934791 [0,2,0,0,0,0|1,0,0]=3 3484 B10R0.19 C=CCC(C)C(=O)CCCO 1458a_100011216819_100011215043 [0,2,0,0,0,0|1,0,0]=3 3485 B10R0.19 C=CCC(C)C(=O)CCOC 1458a_100011216819_100000233755 [0,2,0,0,0,0|1,0,0]=3 3486 B10R0.19 C=CCC(C)C(=O)CCSC 1458a_100011216819_100000751147 [0,2,0,0,0,0|1,0,0]=3 3487 B10R0.19 C=CCC(C)C(=O)NCC#N 1626a_100000734998_100011216819 [0,2,0,0,0,0|1,0,1]=4 3488 B10R0.19 C=CCC(C)C(=O)NCC#N 527a_100000734998_100011216819 [0,2,0,0,0,0|1,0,1]=4 3489 B10R0.19 C=CCC(C)C(=O)NCCC 11a_100020643023_100011216819 [0,2,0,0,0,0|1,0,0]=3 3490 B10R0.19 C=CCC(C)C(=O)NCCC 1626a_100020643023_100011216819 [0,2,0,0,0,0|1,0,0]=3 3491 B10R0.19 C=CCC(C)C(=O)NCCC 240690a_100020643023_100011216819 [0,2,0,0,0,0|1,0,0]=3 3492 B10R0.19 C=CCC(C)C(=O)NCCC 527a_100020643023_100011216819 [0,2,0,0,0,0|1,0,0]=3 3493 B10R0.19 C=CCC(C)C(=O)NCCF 11a_100000724931_100011216819 [0,2,0,0,0,0|1,0,0]=3 3494 B10R0.19 C=CCC(C)C(=O)NCCF 1626a_100000724931_100011216819 [0,2,0,0,0,0|1,0,0]=3 3495 B10R0.19 C=CCC(C)C(=O)NCCF 240690a_100000724931_100011216819 [0,2,0,0,0,0|1,0,0]=3 3496 B10R0.19 C=CCC(C)C(=O)NCCF 527a_100000724931_100011216819 [0,2,0,0,0,0|1,0,0]=3 3497 B10R0.19 C=CCC(C)C(=O)NCCO 240690a_100000210304_100011216819 [0,2,0,0,0,0|1,0,0]=3 3498 B10R0.19 C=CCC(C)C(=O)NCCO 527a_100000210304_100011216819 [0,2,0,0,0,0|1,0,0]=3 3499 B10R0.19 C=CCC(C)C(=O)NNCC 22a_100000756455_100011216819 [0,2,0,0,0,0|1,0,0]=3 3500 B10R0.19 C=CCCC(=O)/C(=C/CC)/C 1458a_100016988807_100000754431 [0,2,0,0,0,0|1,0,0]=3 3501 B10R0.19 C=CCCC(=O)/C(=N/OC)/C 1458a_100160996864_100000754431 [0,2,0,0,0,0|2,0,0]=4 3502 B10R0.19 C=CCCC(=O)C(=O)NCC 1458a_200011297158_100000754431 [0,2,0,0,0,0|1,0,0]=3 3503 B10R0.19 C=CCCC(=O)C(C)CC#N 1458a_100000749702_100009813641 [0,2,0,0,0,0|1,0,1]=4 3504 B10R0.19 C=CCCC(=O)C(C)CC=C 1458a_100011216819_100000754431 [0,2,0,0,0,0|1,0,1]=4 3505 B10R0.19 C=CCCC(=O)C(C)CCC 1458a_100000210906_100000754431 [0,2,0,0,0,0|1,0,0]=3 3506 B10R0.19 C=CCCC(=O)C(C)CCC 1458a_100000749702_100000766640 [0,2,0,0,0,0|1,0,0]=3 3507 B10R0.19 C=CCCC(=O)C(C)CCO 1458a_100000749702_100009893172 [0,2,0,0,0,0|1,0,0]=3 3508 B10R0.19 C=CCCC(=O)C(C)COC 1458a_100000749702_100000765312 [0,2,0,0,0,0|1,0,0]=3 3509 B10R0.19 C=CCCC(=O)C(C)COC 1458a_100000751857_100000754431 [0,2,0,0,0,0|1,0,0]=3 3510 B10R0.19 C=CCCC(=O)C(C)CSC 1458a_100000753918_100000754431 [0,2,0,0,0,0|1,0,0]=3 3511 B10R0.19 C=CCCC(=O)C(C)OCC 1458a_100000739345_100000754431 [0,2,0,0,0,0|0,0,0]=2 3512 B10R0.19 C=CCCC(=O)C(C)SCC 1458a_100000230601_100000754431 [0,2,0,0,0,0|0,1,0]=3 3513 B10R0.19 C=CCCC(=O)N(C)CC#N 11a_100000748184_100000749702 [0,2,0,0,0,0|1,0,1]=4 3514 B10R0.19 C=CCCC(=O)N(C)CC#N 1626a_100000748184_100000749702 [0,2,0,0,0,0|1,0,1]=4 3515 B10R0.19 C=CCCC(=O)N(C)CC=C 11a_100000225617_100000749702 [0,2,0,0,0,0|1,0,1]=4 3516 B10R0.19 C=CCCC(=O)N(C)CC=C 1626a_100000225617_100000749702 [0,2,0,0,0,0|1,0,1]=4 3517 B10R0.19 C=CCCC(=O)N(C)CC=C 240690a_100000225617_100000749702 [0,2,0,0,0,0|1,0,1]=4 3518 B10R0.19 C=CCCC(=O)N(C)CC=C 527a_100000225617_100000749702 [0,2,0,0,0,0|1,0,1]=4 3519 B10R0.19 C=CCCC(=O)N(C)CCC 11a_100000747261_100000749702 [0,2,0,0,0,0|1,0,0]=3 3520 B10R0.19 C=CCCC(=O)N(C)CCC 1626a_100000747261_100000749702 [0,2,0,0,0,0|1,0,0]=3 3521 B10R0.19 C=CCCC(=O)N(C)CCC 240690a_100000747261_100000749702 [0,2,0,0,0,0|1,0,0]=3 3522 B10R0.19 C=CCCC(=O)N(C)CCC 527a_100000747261_100000749702 [0,2,0,0,0,0|1,0,0]=3 3523 B10R0.19 C=CCCC(=O)N(C)CCO 240690a_100000210263_100000749702 [0,2,0,0,0,0|1,0,0]=3 3524 B10R0.19 C=CCCC(=O)N(C)CCO 527a_100000210263_100000749702 [0,2,0,0,0,0|1,0,0]=3 3525 B10R0.19 C=CCCC(=O)[C@@H](O)CCC 1458a_100009822183_100000754431 [0,2,0,0,0,0|1,0,0]=3 3526 B10R0.19 C=CCCN(C)C(=O)C=CC 11a_100020639649_100000210699 [0,2,0,0,0,0|1,0,1]=4 3527 B10R0.19 C=CCCN(C)C(=O)C=CC 1626a_100020639649_100000210699 [0,2,0,0,0,0|1,0,1]=4 3528 B10R0.19 C=CCCN(C)C(=O)C=CC 240690a_100020639649_100000210699 [0,2,0,0,0,0|1,0,1]=4 3529 B10R0.19 C=CCCN(C)C(=O)CCC 11a_100020639649_100000211992 [0,2,0,0,0,0|1,0,0]=3 3530 B10R0.19 C=CCCN(C)C(=O)CCC 1626a_100020639649_100000211992 [0,2,0,0,0,0|1,0,0]=3 3531 B10R0.19 C=CCCN(C)C(=O)CCC 240690a_100020639649_100000211992 [0,2,0,0,0,0|1,0,0]=3 3532 B10R0.19 C=CCCN(C)C(=O)CCC 527a_100020639649_100000211992 [0,2,0,0,0,0|1,0,0]=3 3533 B10R0.19 C=CCCN(C)C(=O)CCO 240690a_100020639649_100011216618 [0,2,0,0,0,0|2,0,0]=4 3534 B10R0.19 C=CCCN(C)C(=O)COC 11a_100020639649_100000210968 [0,2,0,0,0,0|2,0,0]=4 3535 B10R0.19 C=CCCN(C)C(=O)COC 1626a_100020639649_100000210968 [0,2,0,0,0,0|2,0,0]=4 3536 B10R0.19 C=CCCN(C)C(=O)COC 240690a_100020639649_100000210968 [0,2,0,0,0,0|2,0,0]=4 3537 B10R0.19 C=CCCN(C)C(=O)COC 527a_100020639649_100000210968 [0,2,0,0,0,0|2,0,0]=4 3538 B10R0.19 C=CCCN(C)C(=O)CSC 11a_100020639649_100000184570 [0,2,0,0,0,0|2,0,0]=4 3539 B10R0.19 C=CCCN(C)C(=O)CSC 1626a_100020639649_100000184570 [0,2,0,0,0,0|2,0,0]=4 3540 B10R0.19 C=CCCN(C)C(=O)CSC 240690a_100020639649_100000184570 [0,2,0,0,0,0|2,0,0]=4 3541 B10R0.19 C=CCCN(C)C(=O)CSC 527a_100020639649_100000184570 [0,2,0,0,0,0|2,0,0]=4 3542 B10R0.19 C=CCCN(C)C(=O)NCC 2708a_100015525214_100020639649 [0,2,0,0,0,0|1,0,0]=3 3543 B10R0.19 C=CCCN(C)C(=O)NCC 273464a_100015525214_100020639649 [0,2,0,0,0,0|1,0,0]=3 3544 B10R0.19 C=CCN(C)C(=O)C=CCC 11a_100000225617_100000212282 [0,2,0,0,0,0|2,0,0]=4 3545 B10R0.19 C=CCN(C)C(=O)C=CCC 1626a_100000225617_100000212282 [0,2,0,0,0,0|2,0,0]=4 3546 B10R0.19 C=CCN(C)C(=O)C=CCC 240690a_100000225617_100000212282 [0,2,0,0,0,0|2,0,0]=4 3547 B10R0.19 C=CCN(C)C(=O)CCCC 11a_100000225617_100000210183 [0,2,0,0,0,0|2,0,0]=4 3548 B10R0.19 C=CCN(C)C(=O)CCCC 1626a_100000225617_100000210183 [0,2,0,0,0,0|2,0,0]=4 3549 B10R0.19 C=CCN(C)C(=O)CCCC 240690a_100000225617_100000210183 [0,2,0,0,0,0|2,0,0]=4 3550 B10R0.19 C=CCN(C)C(=O)CCCC 527a_100000225617_100000210183 [0,2,0,0,0,0|2,0,0]=4 3551 B10R0.19 C=CCN(C)C(=O)CCOC 11a_100000225617_100000749529 [0,2,0,0,0,0|2,0,0]=4 3552 B10R0.19 C=CCN(C)C(=O)CCOC 1626a_100000225617_100000749529 [0,2,0,0,0,0|2,0,0]=4 3553 B10R0.19 C=CCN(C)C(=O)CCOC 240690a_100000225617_100000749529 [0,2,0,0,0,0|2,0,0]=4 3554 B10R0.19 C=CCN(C)C(=O)CCOC 527a_100000225617_100000749529 [0,2,0,0,0,0|2,0,0]=4 3555 B10R0.19 C=CCN(C)C(=O)CCSC 11a_100000225617_100000174002 [0,2,0,0,0,0|2,0,0]=4 3556 B10R0.19 C=CCN(C)C(=O)CCSC 1626a_100000225617_100000174002 [0,2,0,0,0,0|2,0,0]=4 3557 B10R0.19 C=CCN(C)C(=O)CCSC 240690a_100000225617_100000174002 [0,2,0,0,0,0|2,0,0]=4 3558 B10R0.19 C=CCN(C)C(=O)CCSC 527a_100000225617_100000174002 [0,2,0,0,0,0|2,0,0]=4 3559 B10R0.19 C=CCN(C)C(=O)COCC 11a_100000225617_100000211967 [0,2,0,0,0,0|1,0,0]=3 3560 B10R0.19 C=CCN(C)C(=O)COCC 1626a_100000225617_100000211967 [0,2,0,0,0,0|1,0,0]=3 3561 B10R0.19 C=CCN(C)C(=O)COCC 240690a_100000225617_100000211967 [0,2,0,0,0,0|1,0,0]=3 3562 B10R0.19 C=CCN(C)C(=O)COCC 527a_100000225617_100000211967 [0,2,0,0,0,0|1,0,0]=3 3563 B10R0.19 C=CCN(C)C(=O)CSCC 11a_100000225617_100000230394 [0,2,0,0,0,0|1,1,0]=4 3564 B10R0.19 C=CCN(C)C(=O)CSCC 1626a_100000225617_100000230394 [0,2,0,0,0,0|1,1,0]=4 3565 B10R0.19 C=CCN(C)C(=O)CSCC 240690a_100000225617_100000230394 [0,2,0,0,0,0|1,1,0]=4 3566 B10R0.19 C=CCN(C)C(=O)CSCC 527a_100000225617_100000230394 [0,2,0,0,0,0|1,1,0]=4 3567 B10R0.19 C=CCN(C)C(=O)NCCC 2708a_100020643023_100000225617 [0,2,0,0,0,0|2,0,0]=4 3568 B10R0.19 C=CCN(C)C(=O)NCCC 273464a_100020643023_100000225617 [0,2,0,0,0,0|2,0,0]=4 3569 B10R0.19 C=CCN(C)C(=O)NCCF 273464a_100000724931_100000225617 [0,2,0,0,0,0|2,0,0]=4 3570 B10R0.19 C=CCN(C)C(=O)NCCO 273464a_100000210304_100000225617 [0,2,0,0,0,0|2,0,0]=4 3571 B10R0.19 C=CCNC(=O)/C(=C/CC)/C 1626a_100020586998_100016988807 [0,2,0,0,0,0|2,0,0]=4 3572 B10R0.19 C=CCNC(=O)/C(=C/CC)/C 240690a_100020586998_100016988807 [0,2,0,0,0,0|2,0,0]=4 3573 B10R0.19 C=CCNC(=O)/C(=C/CC)/C 527a_100020586998_100016988807 [0,2,0,0,0,0|2,0,0]=4 3574 B10R0.19 C=CCNC(=O)C(=O)NCC 1626a_100020586998_200011297158 [0,2,0,0,0,0|1,0,1]=4 3575 B10R0.19 C=CCNC(=O)C(=O)NCC 240690a_100020586998_200011297158 [0,2,0,0,0,0|1,0,1]=4 3576 B10R0.19 C=CCNC(=O)C(=O)NCC 527a_100020586998_200011297158 [0,2,0,0,0,0|1,0,1]=4 3577 B10R0.19 C=CCNC(=O)C(=O)OCC 1626a_100020586998_100014798877 [0,2,0,0,0,0|0,0,1]=3 3578 B10R0.19 C=CCNC(=O)C(=O)OCC 240690a_100020586998_100014798877 [0,2,0,0,0,0|0,0,1]=3 3579 B10R0.19 C=CCNC(=O)C(C)CC=C 1626a_100020586998_100011216819 [0,2,0,0,0,0|1,0,1]=4 3580 B10R0.19 C=CCNC(=O)C(C)CC=C 240690a_100020586998_100011216819 [0,2,0,0,0,0|1,0,1]=4 3581 B10R0.19 C=CCNC(=O)C(C)CC=C 527a_100020586998_100011216819 [0,2,0,0,0,0|1,0,1]=4 3582 B10R0.19 C=CCNC(=O)C(C)CCC 1626a_100020586998_100000210906 [0,2,0,0,0,0|2,0,0]=4 3583 B10R0.19 C=CCNC(=O)C(C)CCC 240690a_100020586998_100000210906 [0,2,0,0,0,0|2,0,0]=4 3584 B10R0.19 C=CCNC(=O)C(C)CCC 527a_100020586998_100000210906 [0,2,0,0,0,0|2,0,0]=4 3585 B10R0.19 C=CCNC(=O)C(C)COC 1626a_100020586998_100000751857 [0,2,0,0,0,0|2,0,0]=4 3586 B10R0.19 C=CCNC(=O)C(C)COC 240690a_100020586998_100000751857 [0,2,0,0,0,0|2,0,0]=4 3587 B10R0.19 C=CCNC(=O)C(C)COC 527a_100020586998_100000751857 [0,2,0,0,0,0|2,0,0]=4 3588 B10R0.19 C=CCNC(=O)C(C)CSC 1626a_100020586998_100000753918 [0,2,0,0,0,0|2,0,0]=4 3589 B10R0.19 C=CCNC(=O)C(C)CSC 240690a_100020586998_100000753918 [0,2,0,0,0,0|2,0,0]=4 3590 B10R0.19 C=CCNC(=O)C(C)CSC 527a_100020586998_100000753918 [0,2,0,0,0,0|2,0,0]=4 3591 B10R0.19 C=CCNC(=O)C(C)NCC 2230a_100015525214_100000230288 [0,2,0,0,0,0|2,0,0]=4 3592 B10R0.19 C=CCNC(=O)C(C)OCC 1626a_100020586998_100000739345 [0,2,0,0,0,0|1,0,0]=3 3593 B10R0.19 C=CCNC(=O)C(C)OCC 240690a_100020586998_100000739345 [0,2,0,0,0,0|1,0,0]=3 3594 B10R0.19 C=CCNC(=O)C(C)OCC 527a_100020586998_100000739345 [0,2,0,0,0,0|1,0,0]=3 3595 B10R0.19 C=CCNC(=O)C(C)SCC 1626a_100020586998_100000230601 [0,2,0,0,0,0|1,1,0]=4 3596 B10R0.19 C=CCNC(=O)C(C)SCC 240690a_100020586998_100000230601 [0,2,0,0,0,0|1,1,0]=4 3597 B10R0.19 C=CCNC(=O)C(C)SCC 527a_100020586998_100000230601 [0,2,0,0,0,0|1,1,0]=4 3598 B10R0.19 C=CCNC(=O)C(C)SCC 62a_100000210202_100000230288 [0,2,0,0,0,0|1,1,0]=4 3599 B10R0.19 C=CCNC(=O)C(C)SCC 62a_100000230288_100000210202 [0,2,0,0,0,0|1,1,0]=4 3600 B10R0.19 C=CCNC(=O)N(C)CCC 273464a_100020586998_100000747261 [0,2,0,0,0,0|2,0,0]=4 3601 B10R0.19 C=CCNC(=O)N(C)CCO 273464a_100020586998_100000210263 [0,2,0,0,0,0|2,0,0]=4 3602 B10R0.19 C=CCNC(=O)[C@@H](O)CCC 240690a_100020586998_100009822183 [0,2,0,0,0,0|2,0,0]=4 3603 B10R0.19 C=CCNC(C)C(=O)NCC 2230a_100000736553_100000210623 [0,2,0,0,0,0|1,0,0]=3 3604 B10R0.19 C=CCNC(C)C(=O)NCC 2230a_100020586998_100000230173 [0,2,0,0,0,0|1,0,0]=3 3605 B10R0.19 C=CCNC(C)C(=O)NCC 34a_100000736553_100015514636 [0,2,0,0,0,0|1,0,0]=3 3606 B10R0.19 C=CCNC(C)C(=O)OCC 2230a_100020586998_100011215307 [0,2,0,0,0,0|0,0,0]=2 3607 B10R0.19 C=CCNC(F)C(=O)OCC 2230a_100020586998_100000760018 [0,2,0,0,0,0|0,0,0]=2 3608 B10R0.19 C=CCN[C@@H](C)C(=O)SCC 2230a_100103168634_100000210623 [0,2,0,0,0,0|0,1,0]=3 3609 B10R0.19 C=CCOC(C)C(=O)NCC 34a_200000210373_100000230173 [0,2,0,0,0,0|1,0,0]=3 3610 B10R0.19 C=CCOC(C)C(=O)OCC 34a_200000210373_100011216346 [0,2,0,0,0,0|0,0,0]=2 3611 B10R0.19 C=CCOC(F)C(=O)OCC 34a_200000210373_100000760018 [0,2,0,0,0,0|0,0,0]=2 3612 B10R0.19 C=CCO[C@@H](C)C(=O)OCC 7a_100000751109_100015514636 [0,2,0,0,0,0|0,0,0]=2 3613 B10R0.19 C=CCSC(C)C(=O)CCC 1458a_100000230602_100000210303 [0,2,0,0,0,0|1,0,0]=3 3614 B10R0.19 C=CCSC(C)C(=O)CCF 1458a_100000230602_100011217306 [0,2,0,0,0,0|2,0,0]=4 3615 B10R0.19 C=CCSC(C)C(=O)CCO 1458a_100000230602_100000211926 [0,2,0,0,0,0|2,0,0]=4 3616 B10R0.19 C=CCSC(C)C(=O)NCC 11a_100015525214_100000230602 [0,2,0,0,0,0|1,0,0]=3 3617 B10R0.19 C=CCSC(C)C(=O)NCC 240690a_100015525214_100000230602 [0,2,0,0,0,0|1,0,0]=3 3618 B10R0.19 C=CCSC(C)C(=O)NCC 527a_100015525214_100000230602 [0,2,0,0,0,0|1,0,0]=3 3619 B10R0.19 C=CCSC(C)C(=O)NCC 62a_100000210623_100000230173 [0,2,0,0,0,0|1,0,0]=3 3620 B10R0.19 C=CCSC(C)C(=O)NCC 62a_100000230173_100000210623 [0,2,0,0,0,0|1,0,0]=3 3621 B10R0.19 C=CCSC(C)C(=O)NNC 22a_100016993582_100000230602 [0,2,0,0,0,0|2,0,0]=4 3622 B10R0.19 C=CCSC(C)C(=O)OCC 62a_100000210623_100011216346 [0,2,0,0,0,0|0,0,0]=2 3623 B10R0.19 C=CCSC(C)C(=O)OCC 62a_100011216346_100000210623 [0,2,0,0,0,0|0,0,0]=2 3624 B10R0.19 C=CCSC(F)C(=O)OCC 62a_100000210623_100000760018 [0,2,0,0,0,0|0,0,0]=2 3625 B10R0.19 C=CCSC(F)C(=O)OCC 62a_100000760018_100000210623 [0,2,0,0,0,0|0,0,0]=2 3626 B10R0.19 CC=CCC(=O)C(=O)NCC 1458a_200011297158_100000070051 [0,2,0,0,0,0|1,0,1]=4 3627 B10R0.19 CC=CCC(=O)C(C)OCC 1458a_100000739345_100000070051 [0,2,0,0,0,0|0,0,2]=4 3628 B10R0.19 CCCC(C)C(=O)COCC 1458a_100000211967_100000766640 [0,2,0,0,0,0|0,0,2]=4 3629 B10R0.19 CCCCC(=O)C(C)OCC 1458a_100000739345_100000210211 [0,2,0,0,0,0|0,0,2]=4 3630 B10R0.19 CCCOC(C)C(=O)OCC 34a_100000210258_100011216346 [0,2,0,0,0,0|0,0,2]=4 3631 B10R0.19 CCCOC(F)C(=O)OCC 34a_100000210258_100000760018 [0,2,0,0,0,0|0,0,2]=4 3632 B10R0.19 CCCO[C@@H](C)C(=O)OCC 7a_100000751109_100000210303 [0,2,0,0,0,0|0,0,2]=4 3633 B10R0.19 CCCSC(C)C(=O)OCC 62a_100000210303_100011216346 [0,2,0,0,0,0|0,0,2]=4 3634 B10R0.19 CCCSC(C)C(=O)OCC 62a_100011216346_100000210303 [0,2,0,0,0,0|0,0,2]=4 3635 B10R0.19 CCCSC(F)C(=O)OCC 62a_100000210303_100000760018 [0,2,0,0,0,0|0,0,2]=4 3636 B10R0.19 CCCSC(F)C(=O)OCC 62a_100000760018_100000210303 [0,2,0,0,0,0|0,0,2]=4 3637 B10R0.19 CCNC(=O)C(C)NCC=O 2230a_100000736553_200015260668 [0,2,0,0,0,0|2,0,0]=4 3638 B10R0.19 CCNC(=O)C(C)NCC=O 34a_100000736553_200009817547 [0,2,0,0,0,0|2,0,0]=4 3639 B10R0.19 CCNC(=O)C(C)SCC=O 62a_100000230173_200015260668 [0,2,0,0,0,0|2,0,0]=4 3640 B10R0.19 CCNC(=O)C(C)SCC=O 62a_200015260668_100000230173 [0,2,0,0,0,0|2,0,0]=4 3641 B10R0.19 CCOC(=O)C(C)NCCF 34a_100000724931_100011216346 [0,2,0,0,0,0|1,0,1]=4 3642 B10R0.19 CCOC(=O)C(C)NCCO 2230a_100016997473_100011215307 [0,2,0,0,0,0|1,0,1]=4 3643 B10R0.19 CCOC(=O)C(C)NCCO 34a_100016990907_100011216346 [0,2,0,0,0,0|1,0,1]=4 3644 B10R0.19 CCOC(=O)C(C)OCCBr 34a_100000211926_100011216346 [0,2,0,0,0,0|1,0,1]=4 3645 B10R0.19 CCOC(=O)C(C)OCCN 34a_100000210304_100011216346 [0,2,0,0,0,0|1,0,1]=4 3646 B10R0.19 CCOC(=O)C(C)SCC#N 62a_100011215382_100011216346 [0,2,0,0,0,0|1,0,1]=4 3647 B10R0.19 CCOC(=O)C(C)SCC#N 62a_100011216346_100011215382 [0,2,0,0,0,0|1,0,1]=4 3648 B10R0.19 CCOC(=O)C(C)SCC=O 62a_100011216346_200015260668 [0,2,0,0,0,0|1,0,0]=3 3649 B10R0.19 CCOC(=O)C(C)SCC=O 62a_200015260668_100011216346 [0,2,0,0,0,0|1,0,0]=3 3650 B10R0.19 CCOC(=O)C(C)SCCF 62a_100011216346_100011217306 [0,2,0,0,0,0|1,0,1]=4 3651 B10R0.19 CCOC(=O)C(C)SCCF 62a_100011217306_100011216346 [0,2,0,0,0,0|1,0,1]=4 3652 B10R0.19 CCOC(=O)C(C)SCCO 62a_100000211926_100011216346 [0,2,0,0,0,0|1,0,1]=4 3653 B10R0.19 CCOC(=O)C(C)SCCO 62a_100011216346_100000211926 [0,2,0,0,0,0|1,0,1]=4 3654 B10R0.19 CCOC(=O)C(C)SCOC 62a_100000766300_100011216346 [0,2,0,0,0,0|1,0,1]=4 3655 B10R0.19 CCOC(=O)C(C)SCOC 62a_100011216346_100000766300 [0,2,0,0,0,0|1,0,1]=4 3656 B10R0.19 CCOC(=O)C(C)SCSC 62a_100011216346_100011218213 [0,2,0,0,0,0|1,0,1]=4 3657 B10R0.19 CCOC(=O)C(C)SCSC 62a_100011218213_100011216346 [0,2,0,0,0,0|1,0,1]=4 3658 B10R0.19 CCOC(=O)C(F)NCCF 34a_100000724931_100000760018 [0,2,0,0,0,0|1,0,1]=4 3659 B10R0.19 CCOC(=O)C(F)NCCO 2230a_100016997473_100000760018 [0,2,0,0,0,0|1,0,1]=4 3660 B10R0.19 CCOC(=O)C(F)NCCO 34a_100016990907_100000760018 [0,2,0,0,0,0|1,0,1]=4 3661 B10R0.19 CCOC(=O)C(F)OCCBr 34a_100000211926_100000760018 [0,2,0,0,0,0|1,0,1]=4 3662 B10R0.19 CCOC(=O)C(F)OCCN 34a_100000210304_100000760018 [0,2,0,0,0,0|1,0,1]=4 3663 B10R0.19 CCOC(=O)C(F)SCC#N 62a_100000760018_100011215382 [0,2,0,0,0,0|1,0,1]=4 3664 B10R0.19 CCOC(=O)C(F)SCC#N 62a_100011215382_100000760018 [0,2,0,0,0,0|1,0,1]=4 3665 B10R0.19 CCOC(=O)C(F)SCC=O 62a_100000760018_200015260668 [0,2,0,0,0,0|1,0,0]=3 3666 B10R0.19 CCOC(=O)C(F)SCC=O 62a_200015260668_100000760018 [0,2,0,0,0,0|1,0,0]=3 3667 B10R0.19 CCOC(=O)C(F)SCCF 62a_100000760018_100011217306 [0,2,0,0,0,0|1,0,1]=4 3668 B10R0.19 CCOC(=O)C(F)SCCF 62a_100011217306_100000760018 [0,2,0,0,0,0|1,0,1]=4 3669 B10R0.19 CCOC(=O)C(F)SCCO 62a_100000211926_100000760018 [0,2,0,0,0,0|1,0,1]=4 3670 B10R0.19 CCOC(=O)C(F)SCCO 62a_100000760018_100000211926 [0,2,0,0,0,0|1,0,1]=4 3671 B10R0.19 CCOC(=O)C(F)SCOC 62a_100000760018_100000766300 [0,2,0,0,0,0|1,0,1]=4 3672 B10R0.19 CCOC(=O)C(F)SCOC 62a_100000766300_100000760018 [0,2,0,0,0,0|1,0,1]=4 3673 B10R0.19 CCOC(=O)C(F)SCSC 62a_100000760018_100011218213 [0,2,0,0,0,0|1,0,1]=4 3674 B10R0.19 CCOC(=O)C(F)SCSC 62a_100011218213_100000760018 [0,2,0,0,0,0|1,0,1]=4 3675 B10R0.19 CCOC(=O)[C@H](C)OCC#N 7a_100000751109_100011215382 [0,2,0,0,0,0|1,0,1]=4 3676 B10R0.19 CCOC(=O)[C@H](C)OCC=O 7a_100000751109_200015260668 [0,2,0,0,0,0|1,0,0]=3 3677 B10R0.19 CCOC(=O)[C@H](C)OCCF 7a_100000751109_100011217306 [0,2,0,0,0,0|1,0,1]=4 3678 B10R0.19 CCOC(=O)[C@H](C)OCCO 7a_100000751109_100000211926 [0,2,0,0,0,0|1,0,1]=4 3679 B10R0.19 CCOC(C)C(=O)CCC#N 1458a_100000739345_100011215226 [0,2,0,0,0,0|1,0,1]=4 3680 B10R0.19 CCOC(C)C(=O)CCCF 1458a_100000739345_100011934791 [0,2,0,0,0,0|1,0,1]=4 3681 B10R0.19 CCOC(C)C(=O)CCCO 1458a_100000739345_100011215043 [0,2,0,0,0,0|1,0,1]=4 3682 B10R0.19 CCOC(C)C(=O)CCOC 1458a_100000739345_100000233755 [0,2,0,0,0,0|1,0,1]=4 3683 B10R0.19 CCOC(C)C(=O)CCSC 1458a_100000739345_100000751147 [0,2,0,0,0,0|1,0,1]=4 3684 B10R0.19 CCOCC(=O)C(C)CC#N 1458a_100000211967_100009813641 [0,2,0,0,0,0|1,0,1]=4 3685 B10R0.19 CCOCC(=O)C(C)CCO 1458a_100000211967_100009893172 [0,2,0,0,0,0|1,0,1]=4 3686 B10R0.19 CCOCC(=O)C(C)COC 1458a_100000211967_100000765312 [0,2,0,0,0,0|1,0,1]=4 3687 B10R0.19 CCSC(=O)[C@H](C)NCC=O 2230a_100103168634_200015260668 [0,2,0,0,0,0|1,1,0]=4 3688 B10R0.24 C=CCNCC(CC)OCC 2230a_100015183923_100000210623 [0,2,0,0,0,0|1,0,1]=4 3689 B10R0.24 C=CCNCC(CC)OCC 34a_100015183923_100015514636 [0,2,0,0,0,0|1,0,1]=4 3690 B10R0.83 C=CCCCC(=O)/C(=C/C)/C 1458a_100020587367_100000757094 [0,2,0,0,0,0|1,0,1]=4 3691 B10R0.83 C=CCCCC(=O)C(=O)NC 1458a_100011218921_100000757094 [0,2,0,0,0,0|2,0,0]=4 3692 B10R0.83 C=CCCCC(=O)C(C)CC 1458a_100000766728_100000758301 [0,2,0,0,0,0|1,0,0]=3 3693 B10R0.83 C=CCCCC(=O)C(C)CC 1458a_100011192722_100000757094 [0,2,0,0,0,0|1,0,0]=3 3694 B10R0.83 C=CCCCC(=O)C(C)OC 1458a_100000743197_100000757094 [0,2,0,0,0,0|2,0,0]=4 3695 B10R0.83 C=CCCCC(=O)C(C)SC 1458a_100000149566_100000757094 [0,2,0,0,0,0|2,0,0]=4 3696 B10R0.83 C=CCCCC(=O)C(O)CC 1458a_100011196387_100000757094 [0,2,0,0,0,0|1,0,0]=3 3697 B10R0.83 C=CCCCC(=O)C(O)CO 1458a_100011215603_100000757094 [0,2,0,0,0,0|2,0,0]=4 3698 B10R0.83 C=CCCCC(=O)N(C)CC 11a_100000225621_100000766728 [0,2,0,0,0,0|1,0,0]=3 3699 B10R0.83 C=CCCCC(=O)N(C)CC 1626a_100000225621_100000766728 [0,2,0,0,0,0|1,0,0]=3 3700 B10R0.83 C=CCCCC(=O)N(C)CC 240690a_100000225621_100000766728 [0,2,0,0,0,0|1,0,0]=3 3701 B10R0.83 C=CCCCC(=O)N(C)CC 527a_100000225621_100000766728 [0,2,0,0,0,0|1,0,0]=3 3702 B10R0.83 C=CCCNC(=O)/C(=C/C)/C 11a_100015191253_100020587367 [0,2,0,0,0,0|1,0,1]=4 3703 B10R0.83 C=CCCNC(=O)/C(=C/C)/C 1626a_100015191253_100020587367 [0,2,0,0,0,0|1,0,1]=4 3704 B10R0.83 C=CCCNC(=O)C(=O)NC 1626a_100015191253_100011218921 [0,2,0,0,0,0|2,0,0]=4 3705 B10R0.83 C=CCCNC(=O)C(=O)NC 240690a_100015191253_100011218921 [0,2,0,0,0,0|2,0,0]=4 3706 B10R0.83 C=CCCNC(=O)C(=O)NC 527a_100015191253_100011218921 [0,2,0,0,0,0|2,0,0]=4 3707 B10R0.83 C=CCCNC(=O)C(=O)OC 11a_100015191253_100000024059 [0,2,0,0,0,0|2,0,0]=4 3708 B10R0.83 C=CCCNC(=O)C(=O)OC 1626a_100015191253_100000024059 [0,2,0,0,0,0|2,0,0]=4 3709 B10R0.83 C=CCCNC(=O)C(=O)OC 240690a_100015191253_100000024059 [0,2,0,0,0,0|2,0,0]=4 3710 B10R0.83 C=CCCNC(=O)C(=O)OC 527a_100015191253_100000024059 [0,2,0,0,0,0|2,0,0]=4 3711 B10R0.83 C=CCCNC(=O)C(C)CC 11a_100015191253_100011192722 [0,2,0,0,0,0|1,0,0]=3 3712 B10R0.83 C=CCCNC(=O)C(C)CC 1626a_100015191253_100011192722 [0,2,0,0,0,0|1,0,0]=3 3713 B10R0.83 C=CCCNC(=O)C(C)CC 240690a_100015191253_100011192722 [0,2,0,0,0,0|1,0,0]=3 3714 B10R0.83 C=CCCNC(=O)C(C)CC 527a_100015191253_100011192722 [0,2,0,0,0,0|1,0,0]=3 3715 B10R0.83 C=CCCNC(=O)C(C)OC 11a_100015191253_100000743197 [0,2,0,0,0,0|2,0,0]=4 3716 B10R0.83 C=CCCNC(=O)C(C)OC 1626a_100015191253_100000743197 [0,2,0,0,0,0|2,0,0]=4 3717 B10R0.83 C=CCCNC(=O)C(C)OC 240690a_100015191253_100000743197 [0,2,0,0,0,0|2,0,0]=4 3718 B10R0.83 C=CCCNC(=O)C(C)OC 527a_100015191253_100000743197 [0,2,0,0,0,0|2,0,0]=4 3719 B10R0.83 C=CCCNC(=O)C(C)SC 11a_100015191253_100000149566 [0,2,0,0,0,0|2,0,0]=4 3720 B10R0.83 C=CCCNC(=O)C(C)SC 1626a_100015191253_100000149566 [0,2,0,0,0,0|2,0,0]=4 3721 B10R0.83 C=CCCNC(=O)C(C)SC 240690a_100015191253_100000149566 [0,2,0,0,0,0|2,0,0]=4 3722 B10R0.83 C=CCCNC(=O)C(C)SC 527a_100015191253_100000149566 [0,2,0,0,0,0|2,0,0]=4 3723 B10R0.83 C=CCCNC(=O)C(O)CC 240690a_100015191253_100011196387 [0,2,0,0,0,0|1,0,0]=3 3724 B10R0.83 C=CCCNC(=O)C(O)CO 240690a_100015191253_100011215603 [0,2,0,0,0,0|2,0,0]=4 3725 B10R0.83 C=CCCNC(=O)N(C)CC 2708a_100015191253_100000225621 [0,2,0,0,0,0|1,0,0]=3 3726 B10R0.83 C=CCCNC(=O)N(C)CC 273464a_100015191253_100000225621 [0,2,0,0,0,0|1,0,0]=3 3727 B10R0.83 C=CCNCC(=O)N(C)CC 2230a_100020586998_100000738999 [0,2,0,0,0,0|1,0,0]=3 3728 B10R0.83 C=CCNCC(=O)N(C)OC 2230a_100015207273_100000210623 [0,2,0,0,0,0|2,0,0]=4 3729 B10R0.83 C=CCNCC(=O)N(C)OC 2230a_100020586998_100000764215 [0,2,0,0,0,0|2,0,0]=4 3730 B10R0.83 C=CCNNC(=O)C(C)CC 22a_100020588587_100011192722 [0,2,0,0,0,0|2,0,0]=4 3731 B10R0.83 C=CCNNC(=O)C(O)CC 22a_100020588587_100011196387 [0,2,0,0,0,0|2,0,0]=4 3732 B10R0.83 C=CCOCC(=O)C(=O)OC 34a_200000210373_100011610305 [0,2,0,0,0,0|2,0,0]=4 3733 B10R0.83 C=CCOCC(=O)N(C)CC 34a_200000210373_100000738999 [0,2,0,0,0,0|1,0,0]=3 3734 B10R0.83 C=CCSCC(=O)C(=O)OC 62a_100000210623_100011610305 [0,2,0,0,0,0|2,0,0]=4 3735 B10R0.83 C=CCSCC(=O)C(=O)OC 62a_100011610305_100000210623 [0,2,0,0,0,0|2,0,0]=4 3736 B10R0.83 C=CCSCC(=O)C(C)CC 1458a_100000230395_100000758301 [0,2,0,0,0,0|1,0,0]=3 3737 B10R0.83 C=CCSCC(=O)N(C)CC 11a_100000225621_100000230395 [0,2,0,0,0,0|1,0,0]=3 3738 B10R0.83 C=CCSCC(=O)N(C)CC 1626a_100000225621_100000230395 [0,2,0,0,0,0|1,0,0]=3 3739 B10R0.83 C=CCSCC(=O)N(C)CC 240690a_100000225621_100000230395 [0,2,0,0,0,0|1,0,0]=3 3740 B10R0.83 C=CCSCC(=O)N(C)CC 527a_100000225621_100000230395 [0,2,0,0,0,0|1,0,0]=3 3741 B10R0.83 C=CCSCC(=O)N(C)CC 62a_100000210623_100000738999 [0,2,0,0,0,0|1,0,0]=3 3742 B10R0.83 C=CCSCC(=O)N(C)CC 62a_100000738999_100000210623 [0,2,0,0,0,0|1,0,0]=3 3743 B10R0.83 C=CCSCC(=O)N(C)OC 62a_100000210623_100000764215 [0,2,0,0,0,0|2,0,0]=4 3744 B10R0.83 C=CCSCC(=O)N(C)OC 62a_100000764215_100000210623 [0,2,0,0,0,0|2,0,0]=4 3745 B10R0.83 C=COCCC(=O)/C(=C/C)/C 1458a_100020587367_100000039644 [0,2,0,0,0,0|1,0,1]=4 3746 B10R0.83 C=COCCC(=O)C(=O)NC 1458a_100011218921_100000039644 [0,2,0,0,0,0|2,0,0]=4 3747 B10R0.83 C=COCCC(=O)C(C)CC 1458a_100011192722_100000039644 [0,2,0,0,0,0|1,0,0]=3 3748 B10R0.83 C=COCCC(=O)C(C)OC 1458a_100000743197_100000039644 [0,2,0,0,0,0|2,0,0]=4 3749 B10R0.83 C=COCCC(=O)C(C)SC 1458a_100000149566_100000039644 [0,2,0,0,0,0|2,0,0]=4 3750 B10R0.83 C=COCCC(=O)C(O)CC 1458a_100011196387_100000039644 [0,2,0,0,0,0|1,0,0]=3 3751 B10R0.83 C=COCCC(=O)C(O)CO 1458a_100011215603_100000039644 [0,2,0,0,0,0|2,0,0]=4 3752 B10R0.83 CCN(C)C(=O)CSCC=O 62a_100000738999_200015260668 [0,2,0,0,0,0|2,0,0]=4 3753 B10R0.83 CCN(C)C(=O)CSCC=O 62a_200015260668_100000738999 [0,2,0,0,0,0|2,0,0]=4 3754 B10R0.91 C#CCCC(=O)C=COCC 1458a_100016266692_100000753159 [0,2,0,0,0,0|0,0,2]=4 3755 B10R0.91 C#CCCC(=O)CCCC=C 1458a_100000692101_100000757094 [0,2,0,0,0,0|1,0,1]=4 3756 B10R0.91 C#CCCC(=O)CCCC=C 1458a_100000766728_100000753159 [0,2,0,0,0,0|1,0,1]=4 3757 B10R0.91 C#CCCC(=O)CCOC=C 1458a_100000692101_100000039644 [0,2,0,0,0,0|1,0,1]=4 3758 B10R0.91 C#CCCC(=O)CCOCC 1458a_100000692101_100011215890 [0,2,0,0,0,0|0,0,2]=4 3759 B10R0.91 C#CCCC(=O)CCOCC 1458a_100000749530_100000753159 [0,2,0,0,0,0|0,0,2]=4 3760 B10R0.91 C#CCCC(=O)CCOCC 34a_100011064465_100000210202 [0,2,0,0,0,0|0,0,2]=4 3761 B10R0.91 C#CCCC(=O)CCOCC 7a_100011064465_100000210202 [0,2,0,0,0,0|0,0,2]=4 3762 B10R0.91 C#CCCC(=O)COCCC 1458a_100000745993_100000753159 [0,2,0,0,0,0|0,0,2]=4 3763 B10R0.91 C#CCCC(=O)COCCO 1458a_100000708028_100000753159 [0,2,0,0,0,0|0,0,2]=4 3764 B10R0.91 C#CCCC(=O)CSCC=C 1458a_100000230395_100000753159 [0,2,0,0,0,0|1,0,1]=4 3765 B10R0.91 C#CCCC(=O)NCCC=C 11a_100015191253_100000692101 [0,2,0,0,0,0|1,0,1]=4 3766 B10R0.91 C#CCCC(=O)NCCC=C 1626a_100015191253_100000692101 [0,2,0,0,0,0|1,0,1]=4 3767 B10R0.91 C#CCCC(=O)NCCC=C 240690a_100015191253_100000692101 [0,2,0,0,0,0|1,0,1]=4 3768 B10R0.91 C#CCCC(=O)NCCC=C 527a_100015191253_100000692101 [0,2,0,0,0,0|1,0,1]=4 3769 B10R0.91 C#CCCCC(=O)CCC=C 1458a_100000690238_100000754431 [0,2,0,0,0,0|1,0,0]=3 3770 B10R0.91 C#CCCCC(=O)CCC=C 1458a_100000749702_100000731252 [0,2,0,0,0,0|1,0,0]=3 3771 B10R0.91 C#CCCCC(=O)COCC 1458a_100000211967_100000731252 [0,2,0,0,0,0|0,0,2]=4 3772 B10R0.91 C#CCCCC(=O)NCC=C 1626a_100020586998_100000690238 [0,2,0,0,0,0|2,0,0]=4 3773 B10R0.91 C#CCCCC(=O)NCC=C 240690a_100020586998_100000690238 [0,2,0,0,0,0|2,0,0]=4 3774 B10R0.91 C#CCCCC(=O)NCC=C 527a_100020586998_100000690238 [0,2,0,0,0,0|2,0,0]=4 3775 B10R0.91 C#CCCNC(=O)CCC=C 11a_100000755551_100000749702 [0,2,0,0,0,0|1,0,0]=3 3776 B10R0.91 C#CCCNC(=O)CCC=C 1626a_100000755551_100000749702 [0,2,0,0,0,0|1,0,0]=3 3777 B10R0.91 C#CCCNC(=O)CCC=C 240690a_100000755551_100000749702 [0,2,0,0,0,0|1,0,0]=3 3778 B10R0.91 C#CCCNC(=O)CCC=C 527a_100000755551_100000749702 [0,2,0,0,0,0|1,0,0]=3 3779 B10R0.91 C#CCCNC(=O)COCC 11a_100000755551_100000211967 [0,2,0,0,0,0|0,0,2]=4 3780 B10R0.91 C#CCCNC(=O)COCC 1626a_100000755551_100000211967 [0,2,0,0,0,0|0,0,2]=4 3781 B10R0.91 C#CCCNC(=O)COCC 240690a_100000755551_100000211967 [0,2,0,0,0,0|0,0,2]=4 3782 B10R0.91 C#CCCNC(=O)COCC 527a_100000755551_100000211967 [0,2,0,0,0,0|0,0,2]=4 3783 B10R0.91 C#CCCNC(=O)NCC=C 2708a_100000755551_100020586998 [0,2,0,0,0,0|2,0,0]=4 3784 B10R0.91 C#CCCNC(=O)NCC=C 273464a_100000755551_100020586998 [0,2,0,0,0,0|2,0,0]=4 3785 B10R0.91 C#CCCNC(=O)NCC=C 273464a_100020586998_100000755551 [0,2,0,0,0,0|2,0,0]=4 3786 B10R0.91 C#CCCNC(=O)NCC=C 512a_100000755551_100020586998 [0,2,0,0,0,0|2,0,0]=4 3787 B10R0.91 C#CCCNC(=O)NCC=C 512a_100020586998_100000755551 [0,2,0,0,0,0|2,0,0]=4 3788 B10R0.91 C#CCCOC(C)CCC=C 34a_100000765329_100000688953 [0,2,0,0,0,0|1,0,1]=4 3789 B10R0.91 C#CCCOC(C)CCC=C 7a_100000765329_100000688953 [0,2,0,0,0,0|1,0,1]=4 3790 B10R0.91 C#CCNC(=O)CCCC=C 11a_100000212058_100000766728 [0,2,0,0,0,0|1,0,1]=4 3791 B10R0.91 C#CCNC(=O)CCCC=C 1626a_100000212058_100000766728 [0,2,0,0,0,0|1,0,1]=4 3792 B10R0.91 C#CCNC(=O)CCCC=C 240690a_100000212058_100000766728 [0,2,0,0,0,0|1,0,1]=4 3793 B10R0.91 C#CCNC(=O)CCCC=C 527a_100000212058_100000766728 [0,2,0,0,0,0|1,0,1]=4 3794 B10R0.91 C#CCNC(=O)CNCC=C 2230a_100000747989_100000210623 [0,2,0,0,0,0|1,0,1]=4 3795 B10R0.91 C#CCNC(=O)CNCC=C 34a_100000747989_100015514636 [0,2,0,0,0,0|1,0,1]=4 3796 B10R0.91 C#CCNC(=O)CSCC=C 11a_100000212058_100000230395 [0,2,0,0,0,0|1,0,1]=4 3797 B10R0.91 C#CCNC(=O)CSCC=C 1626a_100000212058_100000230395 [0,2,0,0,0,0|1,0,1]=4 3798 B10R0.91 C#CCNC(=O)CSCC=C 240690a_100000212058_100000230395 [0,2,0,0,0,0|1,0,1]=4 3799 B10R0.91 C#CCNC(=O)CSCC=C 527a_100000212058_100000230395 [0,2,0,0,0,0|1,0,1]=4 3800 B10R0.91 C#CCNC(=O)NCCC=C 2708a_100000212058_100015191253 [0,2,0,0,0,0|1,0,1]=4 3801 B10R0.91 C#CCNC(=O)NCCC=C 2708a_100015191253_100000212058 [0,2,0,0,0,0|1,0,1]=4 3802 B10R0.91 C#CCNC(=O)NCCC=C 273464a_100000212058_100015191253 [0,2,0,0,0,0|1,0,1]=4 3803 B10R0.91 C#CCNC(=O)NCCC=C 273464a_100015191253_100000212058 [0,2,0,0,0,0|1,0,1]=4 3804 B10R0.91 C#CCNC(=O)NCCC=C 512a_100000212058_100015191253 [0,2,0,0,0,0|1,0,1]=4 3805 B10R0.91 C#CCNC(=O)NCCC=C 512a_100015191253_100000212058 [0,2,0,0,0,0|1,0,1]=4 3806 B10R0.91 C#CCNCC(=O)OCCC 34a_100000212058_200011215008 [0,2,0,0,0,0|0,0,2]=4 3807 B10R0.91 C#CCOCC(=O)CCC=C 1458a_100011251226_100000754431 [0,2,0,0,0,0|0,0,1]=3 3808 B10R0.91 C#CCOCC(=O)NCC=C 1626a_100020586998_100011251226 [0,2,0,0,0,0|1,0,1]=4 3809 B10R0.91 C#CCOCC(=O)NCC=C 527a_100020586998_100011251226 [0,2,0,0,0,0|1,0,1]=4 3810 B10R0.91 C#CCOCC(=O)OCC=C 34a_100000210247_100000033060 [0,2,0,0,0,0|1,0,1]=4 3811 B10R0.91 C#CCOCC(=O)OCCC 34a_100000210247_200011215008 [0,2,0,0,0,0|0,0,2]=4 3812 B10R0.91 C#CCSCC(=O)OCCC 62a_100000038162_200011215008 [0,2,0,0,0,0|0,0,2]=4 3813 B10R0.91 C/C=C/CC(=O)C=COCC 1458a_100016266692_100102629194 [0,2,0,0,0,0|0,0,2]=4 3814 B10R0.91 C/C=C/CC(=O)CCOCC 1458a_100000749530_100102629194 [0,2,0,0,0,0|0,0,2]=4 3815 B10R0.91 C/C=C/CC(=O)COCCC 1458a_100000745993_100102629194 [0,2,0,0,0,0|0,0,2]=4 3816 B10R0.91 C/C=C/CC(=O)COCCO 1458a_100000708028_100102629194 [0,2,0,0,0,0|0,0,2]=4 3817 B10R0.91 C=C(CSCC=O)OCOC 62a_100000042856_200015260668 [0,2,0,0,0,0|2,0,0]=4 3818 B10R0.91 C=C(CSCC=O)OCOC 62a_200015260668_100000042856 [0,2,0,0,0,0|2,0,0]=4 3819 B10R0.91 C=CC=CC(=O)CCOCC 1458a_100016291481_100011215890 [0,2,0,0,0,0|0,0,2]=4 3820 B10R0.91 C=CCCC(=NNCCC)C 4a_100000740057_100000762624 [0,2,0,0,0,0|2,0,0]=4 3821 B10R0.91 C=CCCC(=NNCCO)C 4a_100000210001_100000762624 [0,2,0,0,0,0|2,0,0]=4 3822 B10R0.91 C=CCCC(=O)C#CCCC 1458a_200011218047_100000754431 [0,2,0,0,0,0|1,0,0]=3 3823 B10R0.91 C=CCCC(=O)C/C=C/CC 1458a_100016274230_100000754431 [0,2,0,0,0,0|1,0,0]=3 3824 B10R0.91 C=CCCC(=O)C/C=C\CC 1458a_100000749702_100103147603 [0,2,0,0,0,0|1,0,0]=3 3825 B10R0.91 C=CCCC(=O)C=C/C=C/C 1458a_100000185730_100000754431 [0,2,0,0,0,0|1,0,1]=4 3826 B10R0.91 C=CCCC(=O)C=CCCC 1458a_100000212230_100000754431 [0,2,0,0,0,0|1,0,0]=3 3827 B10R0.91 C=CCCC(=O)C=CCOC 1458a_100016285016_100000754431 [0,2,0,0,0,0|1,0,0]=3 3828 B10R0.91 C=CCCC(=O)C=COCC 1458a_100016266692_100000754431 [0,2,0,0,0,0|0,0,0]=2 3829 B10R0.91 C=CCCC(=O)CC#CCC 1458a_100000749702_100009813939 [0,2,0,0,0,0|1,0,0]=3 3830 B10R0.91 C=CCCC(=O)CC#CCO 1458a_100000749702_200000047223 [0,2,0,0,0,0|1,0,1]=4 3831 B10R0.91 C=CCCC(=O)CCCC#N 1458a_100000075515_100000754431 [0,2,0,0,0,0|1,0,0]=3 3832 B10R0.91 C=CCCC(=O)CCCC#N 1458a_100000749702_100000211468 [0,2,0,0,0,0|1,0,0]=3 3833 B10R0.91 C=CCCC(=O)CCCCC 1458a_100000212188_100000754431 [0,2,0,0,0,0|1,0,0]=3 3834 B10R0.91 C=CCCC(=O)CCCCC 1458a_100000749702_100000210326 [0,2,0,0,0,0|1,0,0]=3 3835 B10R0.91 C=CCCC(=O)CCCCF 1458a_100000749702_100000729493 [0,2,0,0,0,0|1,0,0]=3 3836 B10R0.91 C=CCCC(=O)CCCCO 1458a_100000695505_100000754431 [0,2,0,0,0,0|1,0,0]=3 3837 B10R0.91 C=CCCC(=O)CCCCO 1458a_100000749702_100000210776 [0,2,0,0,0,0|1,0,0]=3 3838 B10R0.91 C=CCCC(=O)CCCOC 1458a_100000741012_100000754431 [0,2,0,0,0,0|1,0,0]=3 3839 B10R0.91 C=CCCC(=O)CCCOC 1458a_100000749702_100000740836 [0,2,0,0,0,0|1,0,0]=3 3840 B10R0.91 C=CCCC(=O)CCCSC 1458a_100000173376_100000754431 [0,2,0,0,0,0|1,0,0]=3 3841 B10R0.91 C=CCCC(=O)CCN=[N+]=[N-] 1458a_100000688302_100000754431 [0,2,0,0,0,0|2,0,0]=4 3842 B10R0.91 C=CCCC(=O)CCOC=C 1458a_100000749702_100000039644 [0,2,0,0,0,0|0,0,2]=4 3843 B10R0.91 C=CCCC(=O)CCOCC 1458a_100000749530_100000754431 [0,2,0,0,0,0|0,0,0]=2 3844 B10R0.91 C=CCCC(=O)CCOCC 1458a_100000749702_100011215890 [0,2,0,0,0,0|0,0,0]=2 3845 B10R0.91 C=CCCC(=O)CCSCC 1458a_100000230768_100000754431 [0,2,0,0,0,0|0,1,0]=3 3846 B10R0.91 C=CCCC(=O)CCSCC 1458a_100000749702_100000757381 [0,2,0,0,0,0|0,1,0]=3 3847 B10R0.91 C=CCCC(=O)COCCC 1458a_100000745993_100000754431 [0,2,0,0,0,0|0,0,0]=2 3848 B10R0.91 C=CCCC(=O)COCCO 1458a_100000708028_100000754431 [0,2,0,0,0,0|0,0,0]=2 3849 B10R0.91 C=CCCC(=O)CSCC#N 1458a_100000150266_100000754431 [0,2,0,0,0,0|0,1,1]=4 3850 B10R0.91 C=CCCC(=O)CSCC=C 1458a_100000230395_100000754431 [0,2,0,0,0,0|0,1,1]=4 3851 B10R0.91 C=CCCC(=O)CSCCC 1458a_100000217233_100000754431 [0,2,0,0,0,0|0,1,0]=3 3852 B10R0.91 C=CCCC(=O)NCC#CC 11a_100000685387_100000749702 [0,2,0,0,0,0|1,0,0]=3 3853 B10R0.91 C=CCCC(=O)NCC#CC 1626a_100000685387_100000749702 [0,2,0,0,0,0|1,0,0]=3 3854 B10R0.91 C=CCCC(=O)NCC#CC 527a_100000685387_100000749702 [0,2,0,0,0,0|1,0,0]=3 3855 B10R0.91 C=CCCC(=O)NCCC#N 11a_100000720768_100000749702 [0,2,0,0,0,0|1,0,0]=3 3856 B10R0.91 C=CCCC(=O)NCCC#N 1626a_100000720768_100000749702 [0,2,0,0,0,0|1,0,0]=3 3857 B10R0.91 C=CCCC(=O)NCCC#N 240690a_100000720768_100000749702 [0,2,0,0,0,0|1,0,0]=3 3858 B10R0.91 C=CCCC(=O)NCCC#N 527a_100000720768_100000749702 [0,2,0,0,0,0|1,0,0]=3 3859 B10R0.91 C=CCCC(=O)NCCCC 11a_100000102301_100000749702 [0,2,0,0,0,0|1,0,0]=3 3860 B10R0.91 C=CCCC(=O)NCCCC 1626a_100000102301_100000749702 [0,2,0,0,0,0|1,0,0]=3 3861 B10R0.91 C=CCCC(=O)NCCCC 240690a_100000102301_100000749702 [0,2,0,0,0,0|1,0,0]=3 3862 B10R0.91 C=CCCC(=O)NCCCC 527a_100000102301_100000749702 [0,2,0,0,0,0|1,0,0]=3 3863 B10R0.91 C=CCCC(=O)NCCCF 11a_100015189416_100000749702 [0,2,0,0,0,0|1,0,0]=3 3864 B10R0.91 C=CCCC(=O)NCCCF 1626a_100015189416_100000749702 [0,2,0,0,0,0|1,0,0]=3 3865 B10R0.91 C=CCCC(=O)NCCCF 240690a_100015189416_100000749702 [0,2,0,0,0,0|1,0,0]=3 3866 B10R0.91 C=CCCC(=O)NCCCF 527a_100015189416_100000749702 [0,2,0,0,0,0|1,0,0]=3 3867 B10R0.91 C=CCCC(=O)NCCCO 240690a_100000182051_100000749702 [0,2,0,0,0,0|1,0,0]=3 3868 B10R0.91 C=CCCC(=O)NCCCO 527a_100000182051_100000749702 [0,2,0,0,0,0|1,0,0]=3 3869 B10R0.91 C=CCCC(=O)NCCOC 1626a_100000209980_100000749702 [0,2,0,0,0,0|1,0,0]=3 3870 B10R0.91 C=CCCC(=O)NCCOC 240690a_100000209980_100000749702 [0,2,0,0,0,0|1,0,0]=3 3871 B10R0.91 C=CCCC(=O)NCCOC 527a_100000209980_100000749702 [0,2,0,0,0,0|1,0,0]=3 3872 B10R0.91 C=CCCC(=O)NCCSC 11a_100020590264_100000749702 [0,2,0,0,0,0|1,0,0]=3 3873 B10R0.91 C=CCCC(=O)NCCSC 1626a_100020590264_100000749702 [0,2,0,0,0,0|1,0,0]=3 3874 B10R0.91 C=CCCC(=O)NCCSC 240690a_100020590264_100000749702 [0,2,0,0,0,0|1,0,0]=3 3875 B10R0.91 C=CCCC(=O)NCCSC 527a_100020590264_100000749702 [0,2,0,0,0,0|1,0,0]=3 3876 B10R0.91 C=CCCC(=O)NNCC=C 22a_100020588587_100000749702 [0,2,0,0,0,0|1,0,1]=4 3877 B10R0.91 C=CCCC(=O)NNCCC 22a_100000740057_100000749702 [0,2,0,0,0,0|1,0,0]=3 3878 B10R0.91 C=CCCC(=O)NNCCO 22a_100000210001_100000749702 [0,2,0,0,0,0|1,0,0]=3 3879 B10R0.91 C=CCCC(C)OC/C=C/C 34a_100000765329_100102629194 [0,2,0,0,0,0|1,0,1]=4 3880 B10R0.91 C=CCCC(C)OC/C=C/C 7a_100000765329_100102629194 [0,2,0,0,0,0|1,0,1]=4 3881 B10R0.91 C=CCCC(C)OCC#CC 34a_100000765329_100000748600 [0,2,0,0,0,0|1,0,1]=4 3882 B10R0.91 C=CCCC(C)OCC#CC 7a_100000765329_100000748600 [0,2,0,0,0,0|1,0,1]=4 3883 B10R0.91 C=CCCC(C)OCC=CC 34a_100000765329_100000070051 [0,2,0,0,0,0|1,0,1]=4 3884 B10R0.91 C=CCCC(C)OCC=CC 7a_100000765329_100000070051 [0,2,0,0,0,0|1,0,1]=4 3885 B10R0.91 C=CCCC(C)OCCC#N 7a_100000765329_100000184422 [0,2,0,0,0,0|1,0,1]=4 3886 B10R0.91 C=CCCC(C)OCCCC 34a_100000765329_100000210210 [0,2,0,0,0,0|1,0,1]=4 3887 B10R0.91 C=CCCC(C)OCCCC 7a_100000765329_100000210211 [0,2,0,0,0,0|1,0,1]=4 3888 B10R0.91 C=CCCC(C)OCCCF 34a_100000765329_100011934791 [0,2,0,0,0,0|1,0,1]=4 3889 B10R0.91 C=CCCC(C)OCCCF 7a_100000765329_100011934791 [0,2,0,0,0,0|1,0,1]=4 3890 B10R0.91 C=CCCC(C)OCCCO 34a_100000765329_100000230001 [0,2,0,0,0,0|1,0,1]=4 3891 B10R0.91 C=CCCC(C)OCCCO 7a_100000765329_100011215043 [0,2,0,0,0,0|1,0,1]=4 3892 B10R0.91 C=CCCC(C)OCCOC 34a_100000765329_100011201679 [0,2,0,0,0,0|1,0,1]=4 3893 B10R0.91 C=CCCC(C)OCCOC 7a_100000765329_100000233755 [0,2,0,0,0,0|1,0,1]=4 3894 B10R0.91 C=CCCC(C)OCCSC 34a_100000765329_100000212216 [0,2,0,0,0,0|1,0,1]=4 3895 B10R0.91 C=CCCC(C)OCCSC 7a_100000765329_100000212216 [0,2,0,0,0,0|1,0,1]=4 3896 B10R0.91 C=CCCCC(=O)C#CCC 1458a_100011827653_100000757094 [0,2,0,0,0,0|1,0,0]=3 3897 B10R0.91 C=CCCCC(=O)C#CCO 1458a_100000049017_100000757094 [0,2,0,0,0,0|1,0,1]=4 3898 B10R0.91 C=CCCCC(=O)C/C=C/C 1458a_100000766728_100102629194 [0,2,0,0,0,0|1,0,1]=4 3899 B10R0.91 C=CCCCC(=O)C=CCC 1458a_100000212282_100000757094 [0,2,0,0,0,0|1,0,0]=3 3900 B10R0.91 C=CCCCC(=O)C=COC 1458a_100016268678_100000757094 [0,2,0,0,0,0|1,0,1]=4 3901 B10R0.91 C=CCCCC(=O)CC#CC 1458a_100000766728_100000748600 [0,2,0,0,0,0|1,0,1]=4 3902 B10R0.91 C=CCCCC(=O)CC=CC 1458a_100000766728_100000070051 [0,2,0,0,0,0|1,0,1]=4 3903 B10R0.91 C=CCCCC(=O)CC=CC 1458a_100121576822_100000757094 [0,2,0,0,0,0|1,0,1]=4 3904 B10R0.91 C=CCCCC(=O)CCC#N 1458a_100000766728_100011215226 [0,2,0,0,0,0|1,0,1]=4 3905 B10R0.91 C=CCCCC(=O)CCC#N 1458a_100011934036_100000757094 [0,2,0,0,0,0|1,0,1]=4 3906 B10R0.91 C=CCCCC(=O)CCC=C 1458a_100000749702_100000757094 [0,2,0,0,0,0|1,0,0]=3 3907 B10R0.91 C=CCCCC(=O)CCC=C 1458a_100000766728_100000754431 [0,2,0,0,0,0|1,0,0]=3 3908 B10R0.91 C=CCCCC(=O)CCCC 1458a_100000210183_100000757094 [0,2,0,0,0,0|1,0,0]=3 3909 B10R0.91 C=CCCCC(=O)CCCC 1458a_100000766728_100000210211 [0,2,0,0,0,0|1,0,0]=3 3910 B10R0.91 C=CCCCC(=O)CCCF 1458a_100000766728_100011934791 [0,2,0,0,0,0|1,0,0]=3 3911 B10R0.91 C=CCCCC(=O)CCCO 1458a_100000766728_100011215043 [0,2,0,0,0,0|1,0,0]=3 3912 B10R0.91 C=CCCCC(=O)CCOC 1458a_100000749529_100000757094 [0,2,0,0,0,0|1,0,0]=3 3913 B10R0.91 C=CCCCC(=O)CCOC 1458a_100000766728_100000233755 [0,2,0,0,0,0|1,0,0]=3 3914 B10R0.91 C=CCCCC(=O)CCSC 1458a_100000174002_100000757094 [0,2,0,0,0,0|1,0,0]=3 3915 B10R0.91 C=CCCCC(=O)CCSC 1458a_100000766728_100000751147 [0,2,0,0,0,0|1,0,0]=3 3916 B10R0.91 C=CCCCC(=O)COCC 1458a_100000211967_100000757094 [0,2,0,0,0,0|0,0,0]=2 3917 B10R0.91 C=CCCCC(=O)CSCC 1458a_100000230394_100000757094 [0,2,0,0,0,0|0,1,0]=3 3918 B10R0.91 C=CCCCC(=O)NCC#N 1626a_100000734998_100000766728 [0,2,0,0,0,0|1,0,1]=4 3919 B10R0.91 C=CCCCC(=O)NCC#N 527a_100000734998_100000766728 [0,2,0,0,0,0|1,0,1]=4 3920 B10R0.91 C=CCCCC(=O)NCC=C 1626a_100020586998_100000766728 [0,2,0,0,0,0|1,0,1]=4 3921 B10R0.91 C=CCCCC(=O)NCC=C 240690a_100020586998_100000766728 [0,2,0,0,0,0|1,0,1]=4 3922 B10R0.91 C=CCCCC(=O)NCC=C 527a_100020586998_100000766728 [0,2,0,0,0,0|1,0,1]=4 3923 B10R0.91 C=CCCCC(=O)NCCC 11a_100020643023_100000766728 [0,2,0,0,0,0|1,0,0]=3 3924 B10R0.91 C=CCCCC(=O)NCCC 1626a_100020643023_100000766728 [0,2,0,0,0,0|1,0,0]=3 3925 B10R0.91 C=CCCCC(=O)NCCC 240690a_100020643023_100000766728 [0,2,0,0,0,0|1,0,0]=3 3926 B10R0.91 C=CCCCC(=O)NCCC 527a_100020643023_100000766728 [0,2,0,0,0,0|1,0,0]=3 3927 B10R0.91 C=CCCCC(=O)NCCF 11a_100000724931_100000766728 [0,2,0,0,0,0|1,0,0]=3 3928 B10R0.91 C=CCCCC(=O)NCCF 1626a_100000724931_100000766728 [0,2,0,0,0,0|1,0,0]=3 3929 B10R0.91 C=CCCCC(=O)NCCF 240690a_100000724931_100000766728 [0,2,0,0,0,0|1,0,0]=3 3930 B10R0.91 C=CCCCC(=O)NCCF 527a_100000724931_100000766728 [0,2,0,0,0,0|1,0,0]=3 3931 B10R0.91 C=CCCCC(=O)NCCO 240690a_100000210304_100000766728 [0,2,0,0,0,0|1,0,0]=3 3932 B10R0.91 C=CCCCC(=O)NCCO 527a_100000210304_100000766728 [0,2,0,0,0,0|1,0,0]=3 3933 B10R0.91 C=CCCCC(=O)NNCC 22a_100000756455_100000766728 [0,2,0,0,0,0|1,0,0]=3 3934 B10R0.91 C=CCCN(C)CCOCC 2230a_100020639649_100011215890 [0,2,0,0,0,0|2,0,0]=4 3935 B10R0.91 C=CCCN(C)CCOCC 269982a_100020639649_100011215890 [0,2,0,0,0,0|2,0,0]=4 3936 B10R0.91 C=CCCNC(=O)C=CCC 11a_100015191253_100000212282 [0,2,0,0,0,0|1,0,0]=3 3937 B10R0.91 C=CCCNC(=O)C=CCC 1626a_100015191253_100000212282 [0,2,0,0,0,0|1,0,0]=3 3938 B10R0.91 C=CCCNC(=O)C=CCC 240690a_100015191253_100000212282 [0,2,0,0,0,0|1,0,0]=3 3939 B10R0.91 C=CCCNC(=O)C=COC 1626a_100015191253_100016268678 [0,2,0,0,0,0|1,0,1]=4 3940 B10R0.91 C=CCCNC(=O)C=COC 240690a_100015191253_100016268678 [0,2,0,0,0,0|1,0,1]=4 3941 B10R0.91 C=CCCNC(=O)CC=CC 11a_100015191253_100121576822 [0,2,0,0,0,0|1,0,1]=4 3942 B10R0.91 C=CCCNC(=O)CC=CC 1626a_100015191253_100121576822 [0,2,0,0,0,0|1,0,1]=4 3943 B10R0.91 C=CCCNC(=O)CC=CC 240690a_100015191253_100121576822 [0,2,0,0,0,0|1,0,1]=4 3944 B10R0.91 C=CCCNC(=O)CC=CC 527a_100015191253_100121576822 [0,2,0,0,0,0|1,0,1]=4 3945 B10R0.91 C=CCCNC(=O)CCC#N 11a_100015191253_100011934036 [0,2,0,0,0,0|1,0,1]=4 3946 B10R0.91 C=CCCNC(=O)CCC#N 1626a_100015191253_100011934036 [0,2,0,0,0,0|1,0,1]=4 3947 B10R0.91 C=CCCNC(=O)CCC#N 240690a_100015191253_100011934036 [0,2,0,0,0,0|1,0,1]=4 3948 B10R0.91 C=CCCNC(=O)CCC#N 527a_100015191253_100011934036 [0,2,0,0,0,0|1,0,1]=4 3949 B10R0.91 C=CCCNC(=O)CCC=C 11a_100015191253_100000749702 [0,2,0,0,0,0|1,0,0]=3 3950 B10R0.91 C=CCCNC(=O)CCC=C 1626a_100015191253_100000749702 [0,2,0,0,0,0|1,0,0]=3 3951 B10R0.91 C=CCCNC(=O)CCC=C 240690a_100015191253_100000749702 [0,2,0,0,0,0|1,0,0]=3 3952 B10R0.91 C=CCCNC(=O)CCC=C 527a_100015191253_100000749702 [0,2,0,0,0,0|1,0,0]=3 3953 B10R0.91 C=CCCNC(=O)CCCC 11a_100015191253_100000210183 [0,2,0,0,0,0|1,0,0]=3 3954 B10R0.91 C=CCCNC(=O)CCCC 1626a_100015191253_100000210183 [0,2,0,0,0,0|1,0,0]=3 3955 B10R0.91 C=CCCNC(=O)CCCC 240690a_100015191253_100000210183 [0,2,0,0,0,0|1,0,0]=3 3956 B10R0.91 C=CCCNC(=O)CCCC 527a_100015191253_100000210183 [0,2,0,0,0,0|1,0,0]=3 3957 B10R0.91 C=CCCNC(=O)CCOC 11a_100015191253_100000749529 [0,2,0,0,0,0|1,0,0]=3 3958 B10R0.91 C=CCCNC(=O)CCOC 1626a_100015191253_100000749529 [0,2,0,0,0,0|1,0,0]=3 3959 B10R0.91 C=CCCNC(=O)CCOC 240690a_100015191253_100000749529 [0,2,0,0,0,0|1,0,0]=3 3960 B10R0.91 C=CCCNC(=O)CCOC 527a_100015191253_100000749529 [0,2,0,0,0,0|1,0,0]=3 3961 B10R0.91 C=CCCNC(=O)CCSC 11a_100015191253_100000174002 [0,2,0,0,0,0|1,0,0]=3 3962 B10R0.91 C=CCCNC(=O)CCSC 1626a_100015191253_100000174002 [0,2,0,0,0,0|1,0,0]=3 3963 B10R0.91 C=CCCNC(=O)CCSC 240690a_100015191253_100000174002 [0,2,0,0,0,0|1,0,0]=3 3964 B10R0.91 C=CCCNC(=O)CCSC 527a_100015191253_100000174002 [0,2,0,0,0,0|1,0,0]=3 3965 B10R0.91 C=CCCNC(=O)COCC 11a_100015191253_100000211967 [0,2,0,0,0,0|0,0,0]=2 3966 B10R0.91 C=CCCNC(=O)COCC 1626a_100015191253_100000211967 [0,2,0,0,0,0|0,0,0]=2 3967 B10R0.91 C=CCCNC(=O)COCC 240690a_100015191253_100000211967 [0,2,0,0,0,0|0,0,0]=2 3968 B10R0.91 C=CCCNC(=O)COCC 527a_100015191253_100000211967 [0,2,0,0,0,0|0,0,0]=2 3969 B10R0.91 C=CCCNC(=O)CSCC 11a_100015191253_100000230394 [0,2,0,0,0,0|0,1,0]=3 3970 B10R0.91 C=CCCNC(=O)CSCC 1626a_100015191253_100000230394 [0,2,0,0,0,0|0,1,0]=3 3971 B10R0.91 C=CCCNC(=O)CSCC 240690a_100015191253_100000230394 [0,2,0,0,0,0|0,1,0]=3 3972 B10R0.91 C=CCCNC(=O)CSCC 527a_100015191253_100000230394 [0,2,0,0,0,0|0,1,0]=3 3973 B10R0.91 C=CCCNC(=O)NCC#N 2708a_100000734998_100015191253 [0,2,0,0,0,0|1,0,1]=4 3974 B10R0.91 C=CCCNC(=O)NCC#N 273464a_100000734998_100015191253 [0,2,0,0,0,0|1,0,1]=4 3975 B10R0.91 C=CCCNC(=O)NCC#N 273464a_100015191253_100000734998 [0,2,0,0,0,0|1,0,1]=4 3976 B10R0.91 C=CCCNC(=O)NCC#N 512a_100000734998_100015191253 [0,2,0,0,0,0|1,0,1]=4 3977 B10R0.91 C=CCCNC(=O)NCC#N 512a_100015191253_100000734998 [0,2,0,0,0,0|1,0,1]=4 3978 B10R0.91 C=CCCNC(=O)NCC=C 2708a_100015191253_100020586998 [0,2,0,0,0,0|1,0,1]=4 3979 B10R0.91 C=CCCNC(=O)NCC=C 273464a_100015191253_100020586998 [0,2,0,0,0,0|1,0,1]=4 3980 B10R0.91 C=CCCNC(=O)NCC=C 273464a_100020586998_100015191253 [0,2,0,0,0,0|1,0,1]=4 3981 B10R0.91 C=CCCNC(=O)NCC=C 512a_100015191253_100020586998 [0,2,0,0,0,0|1,0,1]=4 3982 B10R0.91 C=CCCNC(=O)NCC=C 512a_100020586998_100015191253 [0,2,0,0,0,0|1,0,1]=4 3983 B10R0.91 C=CCCNC(=O)NCCC 2708a_100015191253_100020643023 [0,2,0,0,0,0|1,0,0]=3 3984 B10R0.91 C=CCCNC(=O)NCCC 2708a_100020643023_100015191253 [0,2,0,0,0,0|1,0,0]=3 3985 B10R0.91 C=CCCNC(=O)NCCC 273464a_100015191253_100020643023 [0,2,0,0,0,0|1,0,0]=3 3986 B10R0.91 C=CCCNC(=O)NCCC 273464a_100020643023_100015191253 [0,2,0,0,0,0|1,0,0]=3 3987 B10R0.91 C=CCCNC(=O)NCCC 512a_100015191253_100020643023 [0,2,0,0,0,0|1,0,0]=3 3988 B10R0.91 C=CCCNC(=O)NCCC 512a_100020643023_100015191253 [0,2,0,0,0,0|1,0,0]=3 3989 B10R0.91 C=CCCNC(=O)NCCF 2708a_100015191253_100000724931 [0,2,0,0,0,0|1,0,0]=3 3990 B10R0.91 C=CCCNC(=O)NCCF 273464a_100000724931_100015191253 [0,2,0,0,0,0|1,0,0]=3 3991 B10R0.91 C=CCCNC(=O)NCCF 273464a_100015191253_100000724931 [0,2,0,0,0,0|1,0,0]=3 3992 B10R0.91 C=CCCNC(=O)NCCF 512a_100015191253_100000724931 [0,2,0,0,0,0|1,0,0]=3 3993 B10R0.91 C=CCCNC(=O)NCCO 2708a_100015191253_100000210304 [0,2,0,0,0,0|1,0,0]=3 3994 B10R0.91 C=CCCNC(=O)NCCO 273464a_100000210304_100015191253 [0,2,0,0,0,0|1,0,0]=3 3995 B10R0.91 C=CCCNC(=O)NCCO 273464a_100015191253_100000210304 [0,2,0,0,0,0|1,0,0]=3 3996 B10R0.91 C=CCCNC(=O)NCCO 512a_100015191253_100000210304 [0,2,0,0,0,0|1,0,0]=3 3997 B10R0.91 C=CCCNC(=O)NNCC 273464a_100015191253_100000756455 [0,2,0,0,0,0|1,0,0]=3 3998 B10R0.91 C=CCCNC(=O)NNCC 512a_100000756455_100015191253 [0,2,0,0,0,0|1,0,0]=3 3999 B10R0.91 C=CCCNC(=O)NNCC 512a_100015191253_100000756455 [0,2,0,0,0,0|1,0,0]=3 4000 B10R0.91 C=CCCOC(C)CCC=C 34a_100000765329_100000754431 [0,2,0,0,0,0|1,0,1]=4 4001 B10R0.91 C=CCCOC(C)CCC=C 7a_100000765329_100000754431 [0,2,0,0,0,0|1,0,1]=4 4002 B10R0.91 C=CCCOC(C)COCC 34a_100000718985_100000754431 [0,2,0,0,0,0|1,0,1]=4 4003 B10R0.91 C=CCCOC(C)COCC 7a_100000718985_100000754431 [0,2,0,0,0,0|1,0,1]=4 4004 B10R0.91 C=CCNC(=O)C#CCCC 240690a_100020586998_200011218047 [0,2,0,0,0,0|2,0,0]=4 4005 B10R0.91 C=CCNC(=O)C/C=C/CC 1626a_100020586998_100016274230 [0,2,0,0,0,0|2,0,0]=4 4006 B10R0.91 C=CCNC(=O)C/C=C/CC 240690a_100020586998_100016274230 [0,2,0,0,0,0|2,0,0]=4 4007 B10R0.91 C=CCNC(=O)C/C=C/CC 527a_100020586998_100016274230 [0,2,0,0,0,0|2,0,0]=4 4008 B10R0.91 C=CCNC(=O)C=CCCC 1626a_100020586998_100000212230 [0,2,0,0,0,0|2,0,0]=4 4009 B10R0.91 C=CCNC(=O)C=CCCC 240690a_100020586998_100000212230 [0,2,0,0,0,0|2,0,0]=4 4010 B10R0.91 C=CCNC(=O)C=CCOC 1626a_100020586998_100016285016 [0,2,0,0,0,0|2,0,0]=4 4011 B10R0.91 C=CCNC(=O)C=CCOC 240690a_100020586998_100016285016 [0,2,0,0,0,0|2,0,0]=4 4012 B10R0.91 C=CCNC(=O)C=COCC 1626a_100020586998_100016266692 [0,2,0,0,0,0|1,0,0]=3 4013 B10R0.91 C=CCNC(=O)C=COCC 240690a_100020586998_100016266692 [0,2,0,0,0,0|1,0,0]=3 4014 B10R0.91 C=CCNC(=O)CCCC#N 1626a_100020586998_100000075515 [0,2,0,0,0,0|2,0,0]=4 4015 B10R0.91 C=CCNC(=O)CCCC#N 240690a_100020586998_100000075515 [0,2,0,0,0,0|2,0,0]=4 4016 B10R0.91 C=CCNC(=O)CCCC#N 527a_100020586998_100000075515 [0,2,0,0,0,0|2,0,0]=4 4017 B10R0.91 C=CCNC(=O)CCCCC 1626a_100020586998_100000212188 [0,2,0,0,0,0|2,0,0]=4 4018 B10R0.91 C=CCNC(=O)CCCCC 240690a_100020586998_100000212188 [0,2,0,0,0,0|2,0,0]=4 4019 B10R0.91 C=CCNC(=O)CCCCC 527a_100020586998_100000212188 [0,2,0,0,0,0|2,0,0]=4 4020 B10R0.91 C=CCNC(=O)CCCCO 1626a_100020586998_100000695505 [0,2,0,0,0,0|2,0,0]=4 4021 B10R0.91 C=CCNC(=O)CCCOC 1626a_100020586998_100000741012 [0,2,0,0,0,0|2,0,0]=4 4022 B10R0.91 C=CCNC(=O)CCCOC 240690a_100020586998_100000741012 [0,2,0,0,0,0|2,0,0]=4 4023 B10R0.91 C=CCNC(=O)CCCOC 527a_100020586998_100000741012 [0,2,0,0,0,0|2,0,0]=4 4024 B10R0.91 C=CCNC(=O)CCCSC 1626a_100020586998_100000173376 [0,2,0,0,0,0|2,0,0]=4 4025 B10R0.91 C=CCNC(=O)CCCSC 240690a_100020586998_100000173376 [0,2,0,0,0,0|2,0,0]=4 4026 B10R0.91 C=CCNC(=O)CCCSC 527a_100020586998_100000173376 [0,2,0,0,0,0|2,0,0]=4 4027 B10R0.91 C=CCNC(=O)CCNCC 2230a_100015525214_100011222895 [0,2,0,0,0,0|2,0,0]=4 4028 B10R0.91 C=CCNC(=O)CCOCC 1626a_100020586998_100000749530 [0,2,0,0,0,0|1,0,0]=3 4029 B10R0.91 C=CCNC(=O)CCOCC 240690a_100020586998_100000749530 [0,2,0,0,0,0|1,0,0]=3 4030 B10R0.91 C=CCNC(=O)CCOCC 527a_100020586998_100000749530 [0,2,0,0,0,0|1,0,0]=3 4031 B10R0.91 C=CCNC(=O)CCSCC 1626a_100020586998_100000230768 [0,2,0,0,0,0|1,1,0]=4 4032 B10R0.91 C=CCNC(=O)CCSCC 240690a_100020586998_100000230768 [0,2,0,0,0,0|1,1,0]=4 4033 B10R0.91 C=CCNC(=O)CCSCC 527a_100020586998_100000230768 [0,2,0,0,0,0|1,1,0]=4 4034 B10R0.91 C=CCNC(=O)CCSCC 62a_100000210202_100011222895 [0,2,0,0,0,0|1,1,0]=4 4035 B10R0.91 C=CCNC(=O)CCSCC 62a_100011222895_100000210202 [0,2,0,0,0,0|1,1,0]=4 4036 B10R0.91 C=CCNC(=O)CCSCF 62a_100011222895_100015361967 [0,2,0,0,0,0|2,0,0]=4 4037 B10R0.91 C=CCNC(=O)CCSCF 62a_100015361967_100011222895 [0,2,0,0,0,0|2,0,0]=4 4038 B10R0.91 C=CCNC(=O)CNCCO 2230a_100016997473_100000183597 [0,2,0,0,0,0|2,0,0]=4 4039 B10R0.91 C=CCNC(=O)COCCC 1626a_100020586998_100000745993 [0,2,0,0,0,0|1,0,0]=3 4040 B10R0.91 C=CCNC(=O)COCCC 240690a_100020586998_100000745993 [0,2,0,0,0,0|1,0,0]=3 4041 B10R0.91 C=CCNC(=O)COCCC 527a_100020586998_100000745993 [0,2,0,0,0,0|1,0,0]=3 4042 B10R0.91 C=CCNC(=O)COCCO 1626a_100020586998_100000708028 [0,2,0,0,0,0|1,0,0]=3 4043 B10R0.91 C=CCNC(=O)COCCO 240690a_100020586998_100000708028 [0,2,0,0,0,0|1,0,0]=3 4044 B10R0.91 C=CCNC(=O)CSCC=C 1626a_100020586998_100000230395 [0,2,0,0,0,0|1,0,1]=4 4045 B10R0.91 C=CCNC(=O)CSCC=C 240690a_100020586998_100000230395 [0,2,0,0,0,0|1,0,1]=4 4046 B10R0.91 C=CCNC(=O)CSCC=C 527a_100020586998_100000230395 [0,2,0,0,0,0|1,0,1]=4 4047 B10R0.91 C=CCNC(=O)CSCC=C 62a_100000183597_100000210623 [0,2,0,0,0,0|1,0,1]=4 4048 B10R0.91 C=CCNC(=O)CSCC=C 62a_100000210623_100000183597 [0,2,0,0,0,0|1,0,1]=4 4049 B10R0.91 C=CCNC(=O)CSCCC 1626a_100020586998_100000217233 [0,2,0,0,0,0|1,1,0]=4 4050 B10R0.91 C=CCNC(=O)CSCCC 240690a_100020586998_100000217233 [0,2,0,0,0,0|1,1,0]=4 4051 B10R0.91 C=CCNC(=O)CSCCC 527a_100020586998_100000217233 [0,2,0,0,0,0|1,1,0]=4 4052 B10R0.91 C=CCNC(=O)CSCCC 62a_100000183597_100000210303 [0,2,0,0,0,0|1,1,0]=4 4053 B10R0.91 C=CCNC(=O)CSCCC 62a_100000210303_100000183597 [0,2,0,0,0,0|1,1,0]=4 4054 B10R0.91 C=CCNC(=O)CSCCF 62a_100000183597_100011217306 [0,2,0,0,0,0|1,1,0]=4 4055 B10R0.91 C=CCNC(=O)CSCCF 62a_100011217306_100000183597 [0,2,0,0,0,0|1,1,0]=4 4056 B10R0.91 C=CCNC(=O)CSCCO 62a_100000183597_100000211926 [0,2,0,0,0,0|1,1,0]=4 4057 B10R0.91 C=CCNC(=O)CSCCO 62a_100000211926_100000183597 [0,2,0,0,0,0|1,1,0]=4 4058 B10R0.91 C=CCNC(=O)CSCOC 62a_100000183597_100000766300 [0,2,0,0,0,0|1,1,0]=4 4059 B10R0.91 C=CCNC(=O)CSCOC 62a_100000766300_100000183597 [0,2,0,0,0,0|1,1,0]=4 4060 B10R0.91 C=CCNC(=O)CSCSC 62a_100000183597_100011218213 [0,2,0,0,0,0|1,1,0]=4 4061 B10R0.91 C=CCNC(=O)CSCSC 62a_100011218213_100000183597 [0,2,0,0,0,0|1,1,0]=4 4062 B10R0.91 C=CCNC(=O)NCC#CC 273464a_100000685387_100020586998 [0,2,0,0,0,0|2,0,0]=4 4063 B10R0.91 C=CCNC(=O)NCC#CC 273464a_100020586998_100000685387 [0,2,0,0,0,0|2,0,0]=4 4064 B10R0.91 C=CCNC(=O)NCC#CC 512a_100000685387_100020586998 [0,2,0,0,0,0|2,0,0]=4 4065 B10R0.91 C=CCNC(=O)NCC#CC 512a_100020586998_100000685387 [0,2,0,0,0,0|2,0,0]=4 4066 B10R0.91 C=CCNC(=O)NCCC#N 2708a_100000720768_100020586998 [0,2,0,0,0,0|2,0,0]=4 4067 B10R0.91 C=CCNC(=O)NCCC#N 273464a_100000720768_100020586998 [0,2,0,0,0,0|2,0,0]=4 4068 B10R0.91 C=CCNC(=O)NCCC#N 273464a_100020586998_100000720768 [0,2,0,0,0,0|2,0,0]=4 4069 B10R0.91 C=CCNC(=O)NCCC#N 512a_100000720768_100020586998 [0,2,0,0,0,0|2,0,0]=4 4070 B10R0.91 C=CCNC(=O)NCCC#N 512a_100020586998_100000720768 [0,2,0,0,0,0|2,0,0]=4 4071 B10R0.91 C=CCNC(=O)NCCCC 2708a_100000102301_100020586998 [0,2,0,0,0,0|2,0,0]=4 4072 B10R0.91 C=CCNC(=O)NCCCC 273464a_100000102301_100020586998 [0,2,0,0,0,0|2,0,0]=4 4073 B10R0.91 C=CCNC(=O)NCCCC 273464a_100020586998_100000102301 [0,2,0,0,0,0|2,0,0]=4 4074 B10R0.91 C=CCNC(=O)NCCCC 512a_100000102301_100020586998 [0,2,0,0,0,0|2,0,0]=4 4075 B10R0.91 C=CCNC(=O)NCCCC 512a_100020586998_100000102301 [0,2,0,0,0,0|2,0,0]=4 4076 B10R0.91 C=CCNC(=O)NCCCF 2708a_100015189416_100020586998 [0,2,0,0,0,0|2,0,0]=4 4077 B10R0.91 C=CCNC(=O)NCCCF 273464a_100015189416_100020586998 [0,2,0,0,0,0|2,0,0]=4 4078 B10R0.91 C=CCNC(=O)NCCCF 273464a_100020586998_100015189416 [0,2,0,0,0,0|2,0,0]=4 4079 B10R0.91 C=CCNC(=O)NCCCF 512a_100015189416_100020586998 [0,2,0,0,0,0|2,0,0]=4 4080 B10R0.91 C=CCNC(=O)NCCCF 512a_100020586998_100015189416 [0,2,0,0,0,0|2,0,0]=4 4081 B10R0.91 C=CCNC(=O)NCCCO 273464a_100000182051_100020586998 [0,2,0,0,0,0|2,0,0]=4 4082 B10R0.91 C=CCNC(=O)NCCCO 273464a_100020586998_100000182051 [0,2,0,0,0,0|2,0,0]=4 4083 B10R0.91 C=CCNC(=O)NCCCO 512a_100020586998_100000182051 [0,2,0,0,0,0|2,0,0]=4 4084 B10R0.91 C=CCNC(=O)NCCOC 273464a_100000209980_100020586998 [0,2,0,0,0,0|2,0,0]=4 4085 B10R0.91 C=CCNC(=O)NCCOC 273464a_100020586998_100000209980 [0,2,0,0,0,0|2,0,0]=4 4086 B10R0.91 C=CCNC(=O)NCCSC 2708a_100020590264_100020586998 [0,2,0,0,0,0|2,0,0]=4 4087 B10R0.91 C=CCNC(=O)NCCSC 273464a_100020586998_100020590264 [0,2,0,0,0,0|2,0,0]=4 4088 B10R0.91 C=CCNC(=O)NCCSC 273464a_100020590264_100020586998 [0,2,0,0,0,0|2,0,0]=4 4089 B10R0.91 C=CCNC(=O)NCCSC 512a_100020586998_100020590264 [0,2,0,0,0,0|2,0,0]=4 4090 B10R0.91 C=CCNC(=O)NCCSC 512a_100020590264_100020586998 [0,2,0,0,0,0|2,0,0]=4 4091 B10R0.91 C=CCNC(=O)NNCCC 273464a_100020586998_100000740057 [0,2,0,0,0,0|2,0,0]=4 4092 B10R0.91 C=CCNC(=O)NNCCC 512a_100000740057_100020586998 [0,2,0,0,0,0|2,0,0]=4 4093 B10R0.91 C=CCNC(=O)NNCCC 512a_100020586998_100000740057 [0,2,0,0,0,0|2,0,0]=4 4094 B10R0.91 C=CCNC(=O)NNCCO 273464a_100020586998_100000210001 [0,2,0,0,0,0|2,0,0]=4 4095 B10R0.91 C=CCNC(=O)NNCCO 512a_100020586998_100000210001 [0,2,0,0,0,0|2,0,0]=4 4096 B10R0.91 C=CCNCC(=O)NCC#N 2230a_100020586998_100000736037 [0,2,0,0,0,0|1,0,1]=4 4097 B10R0.91 C=CCNCC(=O)NCC=C 2230a_100020586998_100000183597 [0,2,0,0,0,0|1,0,1]=4 4098 B10R0.91 C=CCNCC(=O)NCCC 2230a_100000174927_100000210623 [0,2,0,0,0,0|1,0,0]=3 4099 B10R0.91 C=CCNCC(=O)NCCC 2230a_100020586998_100000183358 [0,2,0,0,0,0|1,0,0]=3 4100 B10R0.91 C=CCNCC(=O)NCCF 2230a_100000725713_100000210623 [0,2,0,0,0,0|1,0,0]=3 4101 B10R0.91 C=CCNCC(=O)OCC=C 2230a_100020586998_100000033060 [0,2,0,0,0,0|0,0,1]=3 4102 B10R0.91 C=CCNCC(=O)OCCC 2230a_100020586998_200011215008 [0,2,0,0,0,0|0,0,0]=2 4103 B10R0.91 C=CCNCC(C)OCCC 2230a_100015185124_100000210623 [0,2,0,0,0,0|1,0,1]=4 4104 B10R0.91 C=CCNCC(C)OCCC 34a_100015185124_100015514636 [0,2,0,0,0,0|1,0,1]=4 4105 B10R0.91 C=CCNCC(O)COCC 2230a_102515437182_100000210623 [0,2,0,0,0,0|0,0,2]=4 4106 B10R0.91 C=CCNCC(O)COCC 34a_102515437182_100015514636 [0,2,0,0,0,0|0,0,2]=4 4107 B10R0.91 C=CCNNC(=O)C#CCC 22a_100020588587_100011827653 [0,2,0,0,0,0|2,0,0]=4 4108 B10R0.91 C=CCNNC(=O)C=CCC 22a_100020588587_100000212282 [0,2,0,0,0,0|2,0,0]=4 4109 B10R0.91 C=CCNNC(=O)CCCC 22a_100020588587_100000210183 [0,2,0,0,0,0|2,0,0]=4 4110 B10R0.91 C=CCNNC(=O)CCOC 22a_100020588587_100000749529 [0,2,0,0,0,0|2,0,0]=4 4111 B10R0.91 C=CCNNC(=O)CCSC 22a_100020588587_100000174002 [0,2,0,0,0,0|2,0,0]=4 4112 B10R0.91 C=CCNNC(=O)COCC 22a_100020588587_100000211967 [0,2,0,0,0,0|1,0,0]=3 4113 B10R0.91 C=CCNNC(=O)CSCC 22a_100020588587_100000230394 [0,2,0,0,0,0|1,1,0]=4 4114 B10R0.91 C=CCNNC(=O)NCCC 273464a_100020643023_100020588587 [0,2,0,0,0,0|2,0,0]=4 4115 B10R0.91 C=CCNNC(=O)NCCC 512a_100020588587_100020643023 [0,2,0,0,0,0|2,0,0]=4 4116 B10R0.91 C=CCNNC(=O)NCCC 512a_100020643023_100020588587 [0,2,0,0,0,0|2,0,0]=4 4117 B10R0.91 C=CCNNC(=O)NCCF 273464a_100000724931_100020588587 [0,2,0,0,0,0|2,0,0]=4 4118 B10R0.91 C=CCNNC(=O)NCCF 512a_100020588587_100000724931 [0,2,0,0,0,0|2,0,0]=4 4119 B10R0.91 C=CCNNC(=O)NCCO 273464a_100000210304_100020588587 [0,2,0,0,0,0|2,0,0]=4 4120 B10R0.91 C=CCNNC(=O)NCCO 512a_100020588587_100000210304 [0,2,0,0,0,0|2,0,0]=4 4121 B10R0.91 C=CCNNC(=O)NNCC 512a_100000756455_100020588587 [0,2,0,0,0,0|2,0,0]=4 4122 B10R0.91 C=CCNNC(=O)NNCC 512a_100020588587_100000756455 [0,2,0,0,0,0|2,0,0]=4 4123 B10R0.91 C=CCOC(=O)CNCCF 34a_100000724931_100000033060 [0,2,0,0,0,0|2,0,0]=4 4124 B10R0.91 C=CCOC(=O)CNCCO 2230a_100016997473_100000033060 [0,2,0,0,0,0|2,0,0]=4 4125 B10R0.91 C=CCOC(=O)CNCCO 34a_100016990907_100000033060 [0,2,0,0,0,0|2,0,0]=4 4126 B10R0.91 C=CCOC(=O)COCCBr 34a_100000211926_100000033060 [0,2,0,0,0,0|1,0,0]=3 4127 B10R0.91 C=CCOC(=O)COCCC 34a_100000210258_100000033060 [0,2,0,0,0,0|1,0,0]=3 4128 B10R0.91 C=CCOC(=O)COCCN 34a_100000210304_100000033060 [0,2,0,0,0,0|1,0,0]=3 4129 B10R0.91 C=CCOC(=O)CSCC=C 62a_100000033060_100000210623 [0,2,0,0,0,0|0,0,1]=3 4130 B10R0.91 C=CCOC(=O)CSCC=C 62a_100000210623_100000033060 [0,2,0,0,0,0|0,0,1]=3 4131 B10R0.91 C=CCOC(=O)CSCC=O 62a_100000033060_200015260668 [0,2,0,0,0,0|1,0,1]=4 4132 B10R0.91 C=CCOC(=O)CSCC=O 62a_200015260668_100000033060 [0,2,0,0,0,0|1,0,1]=4 4133 B10R0.91 C=CCOC(=O)CSCCC 62a_100000033060_100000210303 [0,2,0,0,0,0|1,1,0]=4 4134 B10R0.91 C=CCOC(=O)CSCCC 62a_100000210303_100000033060 [0,2,0,0,0,0|1,1,0]=4 4135 B10R0.91 C=CCOC(=O)CSCCF 62a_100000033060_100011217306 [0,2,0,0,0,0|1,1,0]=4 4136 B10R0.91 C=CCOC(=O)CSCCF 62a_100011217306_100000033060 [0,2,0,0,0,0|1,1,0]=4 4137 B10R0.91 C=CCOC(=O)CSCCO 62a_100000033060_100000211926 [0,2,0,0,0,0|1,1,0]=4 4138 B10R0.91 C=CCOC(=O)CSCCO 62a_100000211926_100000033060 [0,2,0,0,0,0|1,1,0]=4 4139 B10R0.91 C=CCOC(=O)CSCOC 62a_100000033060_100000766300 [0,2,0,0,0,0|1,1,0]=4 4140 B10R0.91 C=CCOC(=O)CSCOC 62a_100000766300_100000033060 [0,2,0,0,0,0|1,1,0]=4 4141 B10R0.91 C=CCOC(=O)CSCSC 62a_100000033060_100011218213 [0,2,0,0,0,0|1,1,0]=4 4142 B10R0.91 C=CCOC(=O)CSCSC 62a_100011218213_100000033060 [0,2,0,0,0,0|1,1,0]=4 4143 B10R0.91 C=CCOCC(=C)OCOC 34a_200000210373_100000042856 [0,2,0,0,0,0|1,0,0]=3 4144 B10R0.91 C=CCOCC(=O)NCCC 34a_200000210373_100000183358 [0,2,0,0,0,0|1,0,0]=3 4145 B10R0.91 C=CCOCC(=O)OCC=C 34a_200000210373_100000033060 [0,2,0,0,0,0|0,0,1]=3 4146 B10R0.91 C=CCOCC(=O)OCCC 34a_200000210373_200011215008 [0,2,0,0,0,0|0,0,0]=2 4147 B10R0.91 C=CCOC[C@@H](C)OCOC 34a_100016172286_100015514636 [0,2,0,0,0,0|1,0,1]=4 4148 B10R0.91 C=CCOC[C@@H](C)OCOC 7a_100016172286_100015514636 [0,2,0,0,0,0|1,0,1]=4 4149 B10R0.91 C=CCSCC(=C)OCOC 62a_100000042856_100000210623 [0,2,0,0,0,0|1,0,0]=3 4150 B10R0.91 C=CCSCC(=C)OCOC 62a_100000210623_100000042856 [0,2,0,0,0,0|1,0,0]=3 4151 B10R0.91 C=CCSCC(=O)C/C=C/C 1458a_100000230395_100102629194 [0,2,0,0,0,0|1,0,1]=4 4152 B10R0.91 C=CCSCC(=O)CC#CC 1458a_100000230395_100000748600 [0,2,0,0,0,0|1,0,1]=4 4153 B10R0.91 C=CCSCC(=O)CC=CC 1458a_100000230395_100000070051 [0,2,0,0,0,0|1,0,1]=4 4154 B10R0.91 C=CCSCC(=O)CCC#N 1458a_100000230395_100011215226 [0,2,0,0,0,0|1,0,1]=4 4155 B10R0.91 C=CCSCC(=O)CCCC 1458a_100000230395_100000210211 [0,2,0,0,0,0|1,0,0]=3 4156 B10R0.91 C=CCSCC(=O)CCCF 1458a_100000230395_100011934791 [0,2,0,0,0,0|1,0,0]=3 4157 B10R0.91 C=CCSCC(=O)CCCO 1458a_100000230395_100011215043 [0,2,0,0,0,0|1,0,0]=3 4158 B10R0.91 C=CCSCC(=O)CCOC 1458a_100000230395_100000233755 [0,2,0,0,0,0|1,0,0]=3 4159 B10R0.91 C=CCSCC(=O)CCSC 1458a_100000230395_100000751147 [0,2,0,0,0,0|1,0,0]=3 4160 B10R0.91 C=CCSCC(=O)NCC#N 1626a_100000734998_100000230395 [0,2,0,0,0,0|1,0,1]=4 4161 B10R0.91 C=CCSCC(=O)NCC#N 527a_100000734998_100000230395 [0,2,0,0,0,0|1,0,1]=4 4162 B10R0.91 C=CCSCC(=O)NCC#N 62a_100000210623_100000736037 [0,2,0,0,0,0|1,0,1]=4 4163 B10R0.91 C=CCSCC(=O)NCC#N 62a_100000736037_100000210623 [0,2,0,0,0,0|1,0,1]=4 4164 B10R0.91 C=CCSCC(=O)NCCC 11a_100020643023_100000230395 [0,2,0,0,0,0|1,0,0]=3 4165 B10R0.91 C=CCSCC(=O)NCCC 1626a_100020643023_100000230395 [0,2,0,0,0,0|1,0,0]=3 4166 B10R0.91 C=CCSCC(=O)NCCC 240690a_100020643023_100000230395 [0,2,0,0,0,0|1,0,0]=3 4167 B10R0.91 C=CCSCC(=O)NCCC 527a_100020643023_100000230395 [0,2,0,0,0,0|1,0,0]=3 4168 B10R0.91 C=CCSCC(=O)NCCC 62a_100000183358_100000210623 [0,2,0,0,0,0|1,0,0]=3 4169 B10R0.91 C=CCSCC(=O)NCCC 62a_100000210623_100000183358 [0,2,0,0,0,0|1,0,0]=3 4170 B10R0.91 C=CCSCC(=O)NCCF 11a_100000724931_100000230395 [0,2,0,0,0,0|1,0,0]=3 4171 B10R0.91 C=CCSCC(=O)NCCF 1626a_100000724931_100000230395 [0,2,0,0,0,0|1,0,0]=3 4172 B10R0.91 C=CCSCC(=O)NCCF 240690a_100000724931_100000230395 [0,2,0,0,0,0|1,0,0]=3 4173 B10R0.91 C=CCSCC(=O)NCCF 527a_100000724931_100000230395 [0,2,0,0,0,0|1,0,0]=3 4174 B10R0.91 C=CCSCC(=O)NCCO 240690a_100000210304_100000230395 [0,2,0,0,0,0|1,0,0]=3 4175 B10R0.91 C=CCSCC(=O)NCCO 527a_100000210304_100000230395 [0,2,0,0,0,0|1,0,0]=3 4176 B10R0.91 C=CCSCC(=O)NNCC 22a_100000756455_100000230395 [0,2,0,0,0,0|1,0,0]=3 4177 B10R0.91 C=CCSCC(=O)OCCC 62a_100000210623_200011215008 [0,2,0,0,0,0|0,0,0]=2 4178 B10R0.91 C=CCSCC(=O)OCCC 62a_200011215008_100000210623 [0,2,0,0,0,0|0,0,0]=2 4179 B10R0.91 C=COCCC(=O)C#CCC 1458a_100011827653_100000039644 [0,2,0,0,0,0|1,0,0]=3 4180 B10R0.91 C=COCCC(=O)C#CCO 1458a_100000049017_100000039644 [0,2,0,0,0,0|1,0,1]=4 4181 B10R0.91 C=COCCC(=O)C=CCC 1458a_100000212282_100000039644 [0,2,0,0,0,0|1,0,0]=3 4182 B10R0.91 C=COCCC(=O)C=COC 1458a_100016268678_100000039644 [0,2,0,0,0,0|1,0,1]=4 4183 B10R0.91 C=COCCC(=O)CC=CC 1458a_100121576822_100000039644 [0,2,0,0,0,0|1,0,1]=4 4184 B10R0.91 C=COCCC(=O)CCC#N 1458a_100011934036_100000039644 [0,2,0,0,0,0|1,0,1]=4 4185 B10R0.91 C=COCCC(=O)CCCC 1458a_100000210183_100000039644 [0,2,0,0,0,0|1,0,0]=3 4186 B10R0.91 C=COCCC(=O)CCOC 1458a_100000749529_100000039644 [0,2,0,0,0,0|1,0,0]=3 4187 B10R0.91 C=COCCC(=O)CCSC 1458a_100000174002_100000039644 [0,2,0,0,0,0|1,0,0]=3 4188 B10R0.91 C=COCCC(=O)COCC 1458a_100000211967_100000039644 [0,2,0,0,0,0|0,0,0]=2 4189 B10R0.91 C=COCCC(=O)CSCC 1458a_100000230394_100000039644 [0,2,0,0,0,0|0,1,0]=3 4190 B10R0.91 CC/C=C\CC(=O)COCC 1458a_100000211967_100103147603 [0,2,0,0,0,0|0,0,2]=4 4191 B10R0.91 CC=CCC(=O)C=COCC 1458a_100016266692_100000070051 [0,2,0,0,0,0|0,0,2]=4 4192 B10R0.91 CC=CCC(=O)CCOCC 1458a_100000749530_100000070051 [0,2,0,0,0,0|0,0,2]=4 4193 B10R0.91 CC=CCC(=O)CCOCC 1458a_100121576822_100011215890 [0,2,0,0,0,0|0,0,2]=4 4194 B10R0.91 CC=CCC(=O)COCCC 1458a_100000745993_100000070051 [0,2,0,0,0,0|0,0,2]=4 4195 B10R0.91 CC=CCC(=O)COCCO 1458a_100000708028_100000070051 [0,2,0,0,0,0|0,0,2]=4 4196 B10R0.91 CCCCC(=O)C=COCC 1458a_100016266692_100000210211 [0,2,0,0,0,0|0,0,2]=4 4197 B10R0.91 CCCCC(=O)CCOCC 1458a_100000210183_100011215890 [0,2,0,0,0,0|0,0,2]=4 4198 B10R0.91 CCCCC(=O)CCOCC 1458a_100000749530_100000210211 [0,2,0,0,0,0|0,0,2]=4 4199 B10R0.91 CCCCC(=O)COCCC 1458a_100000745993_100000210211 [0,2,0,0,0,0|0,0,2]=4 4200 B10R0.91 CCCCC(=O)COCCO 1458a_100000708028_100000210211 [0,2,0,0,0,0|0,0,2]=4 4201 B10R0.91 CCCCCC(=O)COCC 1458a_100000211967_100000210326 [0,2,0,0,0,0|0,0,2]=4 4202 B10R0.91 CCCCCC(=O)COCC 34a_100121572206_200012276598 [0,2,0,0,0,0|0,0,2]=4 4203 B10R0.91 CCCCNC(=O)COCC 11a_100000102301_100000211967 [0,2,0,0,0,0|0,0,2]=4 4204 B10R0.91 CCCCNC(=O)COCC 1626a_100000102301_100000211967 [0,2,0,0,0,0|0,0,2]=4 4205 B10R0.91 CCCCNC(=O)COCC 240690a_100000102301_100000211967 [0,2,0,0,0,0|0,0,2]=4 4206 B10R0.91 CCCCNC(=O)COCC 34a_100121572206_100000182744 [0,2,0,0,0,0|0,0,2]=4 4207 B10R0.91 CCCCNC(=O)COCC 527a_100000102301_100000211967 [0,2,0,0,0,0|0,0,2]=4 4208 B10R0.91 CCCCOC(=O)COCC 34a_100121572206_100000211628 [0,2,0,0,0,0|0,0,2]=4 4209 B10R0.91 CCCNC(=O)CNCC=O 2230a_100000174927_200015260668 [0,2,0,0,0,0|2,0,0]=4 4210 B10R0.91 CCCNC(=O)CSCC=O 62a_100000183358_200015260668 [0,2,0,0,0,0|2,0,0]=4 4211 B10R0.91 CCCNC(=O)CSCC=O 62a_200015260668_100000183358 [0,2,0,0,0,0|2,0,0]=4 4212 B10R0.91 CCCOC(=O)CNCCF 34a_100000724931_200011215008 [0,2,0,0,0,0|1,0,1]=4 4213 B10R0.91 CCCOC(=O)CNCCO 2230a_100016997473_200011215008 [0,2,0,0,0,0|1,0,1]=4 4214 B10R0.91 CCCOC(=O)CNCCO 34a_100016990907_200011215008 [0,2,0,0,0,0|1,0,1]=4 4215 B10R0.91 CCCOC(=O)COCCBr 34a_100000211926_200011215008 [0,2,0,0,0,0|1,0,1]=4 4216 B10R0.91 CCCOC(=O)COCCN 34a_100000210304_200011215008 [0,2,0,0,0,0|1,0,1]=4 4217 B10R0.91 CCCOC(=O)CSCC#N 62a_100011215382_200011215008 [0,2,0,0,0,0|1,0,1]=4 4218 B10R0.91 CCCOC(=O)CSCC#N 62a_200011215008_100011215382 [0,2,0,0,0,0|1,0,1]=4 4219 B10R0.91 CCCOC(=O)CSCC=O 62a_200011215008_200015260668 [0,2,0,0,0,0|1,0,0]=3 4220 B10R0.91 CCCOC(=O)CSCC=O 62a_200015260668_200011215008 [0,2,0,0,0,0|1,0,0]=3 4221 B10R0.91 CCCOC(=O)CSCCC 62a_100000210303_200011215008 [0,2,0,0,0,0|0,0,2]=4 4222 B10R0.91 CCCOC(=O)CSCCC 62a_200011215008_100000210303 [0,2,0,0,0,0|0,0,2]=4 4223 B10R0.91 CCCOC(=O)CSCCF 62a_100011217306_200011215008 [0,2,0,0,0,0|1,0,1]=4 4224 B10R0.91 CCCOC(=O)CSCCF 62a_200011215008_100011217306 [0,2,0,0,0,0|1,0,1]=4 4225 B10R0.91 CCCOC(=O)CSCCO 62a_100000211926_200011215008 [0,2,0,0,0,0|1,0,1]=4 4226 B10R0.91 CCCOC(=O)CSCCO 62a_200011215008_100000211926 [0,2,0,0,0,0|1,0,1]=4 4227 B10R0.91 CCCOC(=O)CSCOC 62a_100000766300_200011215008 [0,2,0,0,0,0|1,0,1]=4 4228 B10R0.91 CCCOC(=O)CSCOC 62a_200011215008_100000766300 [0,2,0,0,0,0|1,0,1]=4 4229 B10R0.91 CCCOC(=O)CSCSC 62a_100011218213_200011215008 [0,2,0,0,0,0|1,0,1]=4 4230 B10R0.91 CCCOC(=O)CSCSC 62a_200011215008_100011218213 [0,2,0,0,0,0|1,0,1]=4 4231 B10R0.91 CCCOCC(=O)CCC#N 1458a_100000745993_100011215226 [0,2,0,0,0,0|1,0,1]=4 4232 B10R0.91 CCCOCC(=O)CCCF 1458a_100000745993_100011934791 [0,2,0,0,0,0|1,0,1]=4 4233 B10R0.91 CCCOCC(=O)CCCO 1458a_100000745993_100011215043 [0,2,0,0,0,0|1,0,1]=4 4234 B10R0.91 CCCOCC(=O)CCOC 1458a_100000745993_100000233755 [0,2,0,0,0,0|1,0,1]=4 4235 B10R0.91 CCCOCC(=O)CCSC 1458a_100000745993_100000751147 [0,2,0,0,0,0|1,0,1]=4 4236 B10R0.91 CCCOCC(=O)OCCC 34a_100000210258_200011215008 [0,2,0,0,0,0|0,0,2]=4 4237 B10R0.91 CCOC=CC(=O)CCC#N 1458a_100016266692_100011215226 [0,2,0,0,0,0|1,0,1]=4 4238 B10R0.91 CCOC=CC(=O)CCCF 1458a_100016266692_100011934791 [0,2,0,0,0,0|1,0,1]=4 4239 B10R0.91 CCOC=CC(=O)CCCO 1458a_100016266692_100011215043 [0,2,0,0,0,0|1,0,1]=4 4240 B10R0.91 CCOC=CC(=O)CCOC 1458a_100016266692_100000233755 [0,2,0,0,0,0|1,0,1]=4 4241 B10R0.91 CCOC=CC(=O)CCSC 1458a_100016266692_100000751147 [0,2,0,0,0,0|1,0,1]=4 4242 B10R0.91 CCOCC(=O)CCCC#N 1458a_100000211967_100000211468 [0,2,0,0,0,0|0,0,2]=4 4243 B10R0.91 CCOCC(=O)CCCCF 1458a_100000211967_100000729493 [0,2,0,0,0,0|0,0,2]=4 4244 B10R0.91 CCOCC(=O)CCCCO 1458a_100000211967_100000210776 [0,2,0,0,0,0|0,0,2]=4 4245 B10R0.91 CCOCC(=O)CCCOC 1458a_100000211967_100000740836 [0,2,0,0,0,0|0,0,2]=4 4246 B10R0.91 CCOCC(=O)CCSCC 1458a_100000211967_100000757381 [0,2,0,0,0,0|0,0,2]=4 4247 B10R0.91 CCOCC(=O)NCCC#N 11a_100000720768_100000211967 [0,2,0,0,0,0|1,0,1]=4 4248 B10R0.91 CCOCC(=O)NCCC#N 1626a_100000720768_100000211967 [0,2,0,0,0,0|1,0,1]=4 4249 B10R0.91 CCOCC(=O)NCCC#N 240690a_100000720768_100000211967 [0,2,0,0,0,0|1,0,1]=4 4250 B10R0.91 CCOCC(=O)NCCC#N 527a_100000720768_100000211967 [0,2,0,0,0,0|1,0,1]=4 4251 B10R0.91 CCOCC(=O)NCCCF 11a_100015189416_100000211967 [0,2,0,0,0,0|1,0,1]=4 4252 B10R0.91 CCOCC(=O)NCCCF 1626a_100015189416_100000211967 [0,2,0,0,0,0|1,0,1]=4 4253 B10R0.91 CCOCC(=O)NCCCF 240690a_100015189416_100000211967 [0,2,0,0,0,0|1,0,1]=4 4254 B10R0.91 CCOCC(=O)NCCCF 527a_100015189416_100000211967 [0,2,0,0,0,0|1,0,1]=4 4255 B10R0.91 CCOCC(=O)NCCCO 240690a_100000182051_100000211967 [0,2,0,0,0,0|1,0,1]=4 4256 B10R0.91 CCOCC(=O)NCCCO 527a_100000182051_100000211967 [0,2,0,0,0,0|1,0,1]=4 4257 B10R0.91 CCOCC(=O)NCCOC 1626a_100000209980_100000211967 [0,2,0,0,0,0|1,0,1]=4 4258 B10R0.91 CCOCC(=O)NCCOC 240690a_100000209980_100000211967 [0,2,0,0,0,0|1,0,1]=4 4259 B10R0.91 CCOCC(=O)NCCOC 34a_100121572206_100000183275 [0,2,0,0,0,0|1,0,1]=4 4260 B10R0.91 CCOCC(=O)NCCOC 527a_100000209980_100000211967 [0,2,0,0,0,0|1,0,1]=4 4261 B10R0.91 CCOCC(=O)NCCSC 11a_100020590264_100000211967 [0,2,0,0,0,0|1,0,1]=4 4262 B10R0.91 CCOCC(=O)NCCSC 1626a_100020590264_100000211967 [0,2,0,0,0,0|1,0,1]=4 4263 B10R0.91 CCOCC(=O)NCCSC 240690a_100020590264_100000211967 [0,2,0,0,0,0|1,0,1]=4 4264 B10R0.91 CCOCC(=O)NCCSC 527a_100020590264_100000211967 [0,2,0,0,0,0|1,0,1]=4 4265 B10R0.91 CCOCC(=O)OCCOC 34a_100121572206_200000040189 [0,2,0,0,0,0|1,0,1]=4 4266 B10R0.91 CCOCCC(=O)CCC#N 1458a_100000749530_100011215226 [0,2,0,0,0,0|1,0,1]=4 4267 B10R0.91 CCOCCC(=O)CCC#N 1458a_100011934036_100011215890 [0,2,0,0,0,0|1,0,1]=4 4268 B10R0.91 CCOCCC(=O)CCCF 1458a_100000749530_100011934791 [0,2,0,0,0,0|1,0,1]=4 4269 B10R0.91 CCOCCC(=O)CCCO 1458a_100000749530_100011215043 [0,2,0,0,0,0|1,0,1]=4 4270 B10R0.91 CCOCCC(=O)CCOC 1458a_100000749529_100011215890 [0,2,0,0,0,0|1,0,1]=4 4271 B10R0.91 CCOCCC(=O)CCOC 1458a_100000749530_100000233755 [0,2,0,0,0,0|1,0,1]=4 4272 B10R0.91 CCOCCC(=O)CCSC 1458a_100000174002_100011215890 [0,2,0,0,0,0|1,0,1]=4 4273 B10R0.91 CCOCCC(=O)CCSC 1458a_100000749530_100000751147 [0,2,0,0,0,0|1,0,1]=4 4274 B10R0.91 CCOCCC(=O)COCC 1458a_100000211967_100011215890 [0,2,0,0,0,0|0,0,2]=4 4275 B10R0.91 COCCC(=O)COCCO 1458a_100000708028_100000233755 [0,2,0,0,0,0|1,0,1]=4 4276 B10R0.91 CSCCC(=O)COCCO 1458a_100000708028_100000751147 [0,2,0,0,0,0|1,0,1]=4 4277 B10R0.91 N#CCCC(=O)COCCO 1458a_100000708028_100011215226 [0,2,0,0,0,0|1,0,1]=4 4278 B10R0.91 O=C(CCCF)COCCO 1458a_100000708028_100011934791 [0,2,0,0,0,0|1,0,1]=4 4279 B10R0.91 O=C(CCCO)COCCO 1458a_100000708028_100011215043 [0,2,0,0,0,0|1,0,1]=4 4280 B10R0.91 O=CCNCC(=O)NCCF 2230a_100000725713_200015260668 [0,2,0,0,0,0|2,0,0]=4 4281 B10R0.108 C#CC(C)NCC(=O)OCC 2230a_100000707721_100000188475 [0,2,0,0,0,0|0,0,2]=4 4282 B10R0.108 C#CC(C)NCC(=O)OCC 34a_100000707721_100000188475 [0,2,0,0,0,0|0,0,2]=4 4283 B10R0.108 C#CC(C)SCC(=O)OCC 62a_200000035995_100000188475 [0,2,0,0,0,0|0,0,2]=4 4284 B10R0.108 C#C[C@@H](C)OCC(=O)OCC 34a_100009815206_100000188475 [0,2,0,0,0,0|0,0,2]=4 4285 B10R0.108 C#C[C@@H](C)OCC(=O)OCC 7a_100009815206_100000188475 [0,2,0,0,0,0|0,0,2]=4 4286 B10R0.108 C=CC(=O)COC(=O)CCC 1458a_100000185746_100000034017 [0,2,0,0,0,0|1,0,1]=4 4287 B10R0.108 C=CC(=O)NCC(=O)CCC 1458a_200011222540_100000210303 [0,2,0,0,0,0|1,0,1]=4 4288 B10R0.108 C=CC(=O)NCC(=O)NCC 11a_100015525214_200011222540 [0,2,0,0,0,0|1,0,1]=4 4289 B10R0.108 C=CC(=O)NCC(=O)NCC 1626a_100016988866_100000185746 [0,2,0,0,0,0|1,0,1]=4 4290 B10R0.108 C=CC(=O)NCC(=O)NCC 240690a_100015525214_200011222540 [0,2,0,0,0,0|1,0,1]=4 4291 B10R0.108 C=CC(=O)NCC(=O)NCC 240690a_100016988866_200121576911 [0,2,0,0,0,0|1,0,1]=4 4292 B10R0.108 C=CC(=O)NCC(=O)NCC 527a_100015525214_200011222540 [0,2,0,0,0,0|1,0,1]=4 4293 B10R0.108 C=CC(C)OCC(=O)NCC 34a_100000695699_100000183381 [0,2,0,0,0,0|1,0,0]=3 4294 B10R0.108 C=CC(C)OCC(=O)NCO 34a_100000695699_100000185155 [0,2,0,0,0,0|2,0,0]=4 4295 B10R0.108 C=CC(C)OCC(=O)OCC 34a_100000695699_100000188475 [0,2,0,0,0,0|0,0,0]=2 4296 B10R0.108 C=CC(C)SCC(=O)CCC 62a_100011215867_100000747444 [0,2,0,0,0,0|1,0,0]=3 4297 B10R0.108 C=CC(C)SCC(=O)NCC 62a_100011215867_100000183381 [0,2,0,0,0,0|1,0,0]=3 4298 B10R0.108 C=CC(C)SCC(=O)NCO 62a_100011215867_100000185155 [0,2,0,0,0,0|2,0,0]=4 4299 B10R0.108 C=CC(C)SCC(=O)OCC 62a_100011215867_100000188475 [0,2,0,0,0,0|0,0,0]=2 4300 B10R0.108 C=COC(=O)COC(C)C=C 34a_100000695699_100000036128 [0,2,0,0,0,0|0,0,2]=4 4301 B10R0.108 C=COC(=O)CSC(C)C=C 62a_100011215867_100000036128 [0,2,0,0,0,0|0,0,2]=4 4302 B10R0.108 CCCC(=O)CCC(=O)NC 1458a_100011309844_100000210303 [0,2,0,0,0,0|1,0,1]=4 4303 B10R0.108 CCCC(=O)CCC(=O)OC 1458a_100000187943_100000210303 [0,2,0,0,0,0|1,0,1]=4 4304 B10R0.108 CCNC(=O)CCC(=O)CC 1458a_100000199579_100000210202 [0,2,0,0,0,0|1,0,1]=4 4305 B10R0.108 CCNC(=O)CCC(=O)CF 1458a_100000199579_100015361967 [0,2,0,0,0,0|1,0,1]=4 4306 B10R0.108 CCNC(=O)CCC(=O)NC 11a_100015525214_100011309844 [0,2,0,0,0,0|1,0,1]=4 4307 B10R0.108 CCNC(=O)CCC(=O)NC 11a_106832991635_100000199579 [0,2,0,0,0,0|1,0,1]=4 4308 B10R0.108 CCNC(=O)CCC(=O)NC 1626a_100102657272_100000199579 [0,2,0,0,0,0|1,0,1]=4 4309 B10R0.108 CCNC(=O)CCC(=O)NC 240690a_100015525214_100011309844 [0,2,0,0,0,0|1,0,1]=4 4310 B10R0.108 CCNC(=O)CCC(=O)NC 240690a_100102657272_100000199579 [0,2,0,0,0,0|1,0,1]=4 4311 B10R0.108 CCNC(=O)CCC(=O)NC 527a_100015525214_100011309844 [0,2,0,0,0,0|1,0,1]=4 4312 B10R0.108 CCNC(=O)CCC(=O)OC 11a_100015525214_100000187943 [0,2,0,0,0,0|1,0,1]=4 4313 B10R0.108 CCNC(=O)CCC(=O)OC 240690a_100015525214_100000187943 [0,2,0,0,0,0|1,0,1]=4 4314 B10R0.108 CCNC(=O)CCC(=O)OC 527a_100015525214_100000187943 [0,2,0,0,0,0|1,0,1]=4 4315 B10R0.108 CCOC(=O)CCC(=O)CC 1458a_100000183558_100000210202 [0,2,0,0,0,0|0,0,1]=3 4316 B10R0.108 CCOC(=O)CCC(=O)CF 1458a_100000183558_100015361967 [0,2,0,0,0,0|0,0,1]=3 4317 B10R0.108 CCOC(=O)CCC(=O)NC 11a_106832991635_100000183558 [0,2,0,0,0,0|0,0,1]=3 4318 B10R0.108 CCOC(=O)CCC(=O)NC 1626a_100102657272_100000183558 [0,2,0,0,0,0|0,0,1]=3 4319 B10R0.108 CCOC(=O)CCC(=O)NC 240690a_100102657272_100000183558 [0,2,0,0,0,0|0,0,1]=3 4320 B10R0.108 CCOC(=O)CCC(C)NC 2230a_106832991635_100000748298 [0,2,0,0,0,0|0,0,2]=4 4321 B10R0.108 CCOC(=O)CCC(C)NC 34a_100102657272_100000748298 [0,2,0,0,0,0|0,0,2]=4 4322 B10R0.108 CCOC(=O)CCC(C)NC 7a_106832991635_100000748298 [0,2,0,0,0,0|0,0,2]=4 4323 B10R0.108 CCOC(=O)CCC(C)OC 34a_100138415774_100000748298 [0,2,0,0,0,0|0,0,2]=4 4324 B10R0.108 CCOC(=O)CCC(C)SC 62a_100000748298_200000210301 [0,2,0,0,0,0|0,0,2]=4 4325 B10R0.108 CCOC(=O)CCC(C)SC 62a_200000210301_100000748298 [0,2,0,0,0,0|0,0,2]=4 4326 B10R0.108 CCOC(=O)CCC(C)S[13CH3] 62a_100000748298_200025704644 [0,2,0,0,0,0|0,0,2]=4 4327 B10R0.108 CCOC(=O)CCC(C)S[13CH3] 62a_200025704644_100000748298 [0,2,0,0,0,0|0,0,2]=4 4328 B10R0.108 CCOC(=O)CCN(C)CC 2230a_100000225621_100011206558 [0,2,0,0,0,0|0,0,2]=4 4329 B10R0.108 CCOC(=O)CCN(C)CC 2230a_100000745921_100000210202 [0,2,0,0,0,0|0,0,2]=4 4330 B10R0.108 CCOC(=O)CCN(C)CC 2230a_200011277716_200000210301 [0,2,0,0,0,0|0,0,2]=4 4331 B10R0.108 CCOC(=O)CCN(C)CC 269982a_100000225621_100011206558 [0,2,0,0,0,0|0,0,2]=4 4332 B10R0.108 CCOC(=O)CCN(C)CC 269982a_100000745921_100000204670 [0,2,0,0,0,0|0,0,2]=4 4333 B10R0.108 CCOC(=O)CCN(C)CC 269982a_200011277716_200000210301 [0,2,0,0,0,0|0,0,2]=4 4334 B10R0.108 CCOC(=O)CCN(C)CF 269982a_100000745921_100015361967 [0,2,0,0,0,0|1,0,1]=4 4335 B10R0.108 CCOC(=O)CCN([13CH3])CC 2230a_200011277716_200025704644 [0,2,0,0,0,0|0,0,2]=4 4336 B10R0.108 CCOC(=O)CCN([13CH3])CC 269982a_200011277716_200025704644 [0,2,0,0,0,0|0,0,2]=4 4337 B10R0.108 CCOC(=O)CNC(=O)CC 188690a_100000741813_100000210414 [0,2,0,0,0,0|1,0,1]=4 4338 B10R0.108 CCOC(=O)CNC(=O)CO 188690a_100000741813_100000210174 [0,2,0,0,0,0|1,0,1]=4 4339 B10R0.108 CCOC(=O)CNC(C)C#N 2230a_100000737613_100000188475 [0,2,0,0,0,0|1,0,1]=4 4340 B10R0.108 CCOC(=O)CNC(C)CC 2230a_100000209981_100000188475 [0,2,0,0,0,0|0,0,2]=4 4341 B10R0.108 CCOC(=O)CN[C@H](C)CO 2230a_100000737577_100000188475 [0,2,0,0,0,0|1,0,1]=4 4342 B10R0.108 CCOC(=O)COC(C)C#N 34a_100011218135_100000188475 [0,2,0,0,0,0|1,0,1]=4 4343 B10R0.108 CCOC(=O)COC(C)CC 7a_100000210228_100000188475 [0,2,0,0,0,0|0,0,2]=4 4344 B10R0.108 CCOC(=O)COC(C)CF 34a_100016041109_100000188475 [0,2,0,0,0,0|1,0,1]=4 4345 B10R0.108 CCOC(=O)COC(C)CF 7a_100016041109_100000188475 [0,2,0,0,0,0|1,0,1]=4 4346 B10R0.108 CCOC(=O)COC(C)CN 34a_100000210904_100000188475 [0,2,0,0,0,0|1,0,1]=4 4347 B10R0.108 CCOC(=O)CSC(C)C#N 62a_100000188475_100000703298 [0,2,0,0,0,0|1,0,1]=4 4348 B10R0.108 CCOC(=O)CSC(C)C#N 62a_100000703298_100000188475 [0,2,0,0,0,0|1,0,1]=4 4349 B10R0.108 CCOC(=O)CSC(C)CC 62a_100000188475_100000758301 [0,2,0,0,0,0|0,0,2]=4 4350 B10R0.108 CCOC(=O)CSC(C)CC 62a_100000758301_100000188475 [0,2,0,0,0,0|0,0,2]=4 4351 B10R0.108 CCOC(=O)CSC(C)CO 62a_100012180447_100000188475 [0,2,0,0,0,0|1,0,1]=4 4352 B10R0.108 CCOC(=O)CSC(C)OC 62a_100000188475_100009879195 [0,2,0,0,0,0|1,0,1]=4 4353 B10R0.108 CCOC(=O)CSC(C)OC 62a_100009879195_100000188475 [0,2,0,0,0,0|1,0,1]=4 4354 B10R0.108 CCOC(=O)CSC(F)C#N 62a_100000188475_200000117898 [0,2,0,0,0,0|1,0,1]=4 4355 B10R0.108 CCOC(=O)CSC(F)C#N 62a_200000117898_100000188475 [0,2,0,0,0,0|1,0,1]=4 4356 B10R0.108 CCOC(=O)CS[C@H](C)CO 62a_100000188475_100016084084 [0,2,0,0,0,0|1,0,1]=4 4357 B10R0.108 CCOC(=O)CS[C@H](C)CO 62a_100016084084_100000188475 [0,2,0,0,0,0|1,0,1]=4 4358 B10R0.108 CCOC(=O)NCC(=O)CC 1458a_100000190774_100000210202 [0,2,0,0,0,0|1,0,1]=4 4359 B10R0.108 CCOC(=O)NCC(=O)CF 1458a_100000190774_100015361967 [0,2,0,0,0,0|1,0,1]=4 4360 B10R0.108 CCOC(=O)NCC(=O)NC 11a_106832991635_100000190774 [0,2,0,0,0,0|1,0,1]=4 4361 B10R0.108 CCOC(=O)NCC(=O)NC 1626a_100102657272_100000190774 [0,2,0,0,0,0|1,0,1]=4 4362 B10R0.108 CCOC(=O)NCC(=O)NC 240690a_100102657272_100000190774 [0,2,0,0,0,0|1,0,1]=4 4363 B10R0.108 CCOC(=O)NCC(=O)NC 527a_100102657272_100000190774 [0,2,0,0,0,0|1,0,1]=4 4364 B10R0.156 C=CCCNS(=O)(=O)CCC 270084a_100015191253_100000211391 [0,2,0,0,0,0|2,0,0]=4 4365 B10R0.156 C=CCCNS(=O)(=O)CCC 274078a_100015191253_100000211391 [0,2,0,0,0,0|2,0,0]=4 4366 B10R0.156 C=CCCNS(=O)(=O)CCC 40a_100015191253_100000054278 [0,2,0,0,0,0|2,0,0]=4 4367 B10R0.156 C=CCSC[Si](C)(C)OCC 62a_100000210623_200000065227 [0,2,0,0,0,0|1,1,0]=4 4368 B10R0.156 C=CCSC[Si](C)(C)OCC 62a_200000065227_100000210623 [0,2,0,0,0,0|1,1,0]=4 4369 B10R0.21 C=CCCC(=O)C(CC)CC 1458a_100000211163_100000754431 [0,2,0,0,0,0|1,0,0]=3 4370 B10R0.21 C=CCCC(=O)C(CC)CC 1458a_100000749702_100000210505 [0,2,0,0,0,0|1,0,0]=3 4371 B10R0.21 C=CCCC(=O)C(CC)OC 1458a_100000747056_100000754431 [0,2,0,0,0,0|1,0,0]=3 4372 B10R0.21 C=CCCC(=O)C(OC)OC 1458a_100000046285_100000754431 [0,2,0,0,0,0|2,0,0]=4 4373 B10R0.21 C=CCCC(=O)N(CC)CC 11a_100000724800_100000749702 [0,2,0,0,0,0|1,0,0]=3 4374 B10R0.21 C=CCCC(=O)N(CC)CC 1626a_100000724800_100000749702 [0,2,0,0,0,0|1,0,0]=3 4375 B10R0.21 C=CCCC(=O)N(CC)CC 240690a_100000724800_100000749702 [0,2,0,0,0,0|1,0,0]=3 4376 B10R0.21 C=CCCC(=O)N(CC)CC 527a_100000724800_100000749702 [0,2,0,0,0,0|1,0,0]=3 4377 B10R0.21 C=CCNC(=O)C(CC)CC 1626a_100020586998_100000211163 [0,2,0,0,0,0|2,0,0]=4 4378 B10R0.21 C=CCNC(=O)C(CC)CC 240690a_100020586998_100000211163 [0,2,0,0,0,0|2,0,0]=4 4379 B10R0.21 C=CCNC(=O)C(CC)CC 527a_100020586998_100000211163 [0,2,0,0,0,0|2,0,0]=4 4380 B10R0.21 C=CCNC(=O)C(CC)OC 1626a_100020586998_100000747056 [0,2,0,0,0,0|2,0,0]=4 4381 B10R0.21 C=CCNC(=O)C(CC)OC 240690a_100020586998_100000747056 [0,2,0,0,0,0|2,0,0]=4 4382 B10R0.21 C=CCNC(=O)C(CC)OC 527a_100020586998_100000747056 [0,2,0,0,0,0|2,0,0]=4 4383 B10R0.21 C=CCNC(=O)N(CC)CC 273464a_100020586998_100000724800 [0,2,0,0,0,0|2,0,0]=4 4384 B10R0.35 C=CC(=O)C(C)C(=O)NCC 1458a_100000185746_100000230173 [0,2,0,0,0,0|1,0,1]=4 4385 B10R0.35 C=CC(=O)C(C)C(=O)OCC 1458a_100000185746_100011216346 [0,2,0,0,0,0|0,0,1]=3 4386 B10R0.35 C=CC(=O)C(F)C(=O)OCC 1458a_100000185746_100000760018 [0,2,0,0,0,0|0,0,1]=3 4387 B10R0.35 C=CCC(C)C(=O)C(C)CC 1458a_100011216819_100000758301 [0,2,0,0,0,0|1,0,0]=3 4388 B10R0.35 C=CCC(C)C(=O)N(C)CC 11a_100000225621_100011216819 [0,2,0,0,0,0|1,0,0]=3 4389 B10R0.35 C=CCC(C)C(=O)N(C)CC 1626a_100000225621_100011216819 [0,2,0,0,0,0|1,0,0]=3 4390 B10R0.35 C=CCC(C)C(=O)N(C)CC 240690a_100000225621_100011216819 [0,2,0,0,0,0|1,0,0]=3 4391 B10R0.35 C=CCC(C)C(=O)N(C)CC 527a_100000225621_100011216819 [0,2,0,0,0,0|1,0,0]=3 4392 B10R0.35 C=CCN(C)C(=O)C(C)CC 11a_100000225617_100011192722 [0,2,0,0,0,0|2,0,0]=4 4393 B10R0.35 C=CCN(C)C(=O)C(C)CC 1626a_100000225617_100011192722 [0,2,0,0,0,0|2,0,0]=4 4394 B10R0.35 C=CCN(C)C(=O)C(C)CC 240690a_100000225617_100011192722 [0,2,0,0,0,0|2,0,0]=4 4395 B10R0.35 C=CCN(C)C(=O)C(C)CC 527a_100000225617_100011192722 [0,2,0,0,0,0|2,0,0]=4 4396 B10R0.35 C=CCN(C)C(=O)C(O)CC 240690a_100000225617_100011196387 [0,2,0,0,0,0|2,0,0]=4 4397 B10R0.40 C=CCCC(=O)C(C)(C)CC 1458a_100000749717_100000754431 [0,2,0,0,0,0|1,0,0]=3 4398 B10R0.40 C=CCCC(=O)C(C)(C)CF 1458a_100000138116_100000754431 [0,2,0,0,0,0|2,0,0]=4 4399 B10R0.40 C=CCCC(=O)C(C)(C)CO 1458a_100000749806_100000754431 [0,2,0,0,0,0|2,0,0]=4 4400 B10R0.40 C=CCCC(=O)C(C)(C)OC 1458a_100000753492_100000754431 [0,2,0,0,0,0|2,0,0]=4 4401 B10R0.40 C=CCCC(=O)C(C)(O)CC 1458a_100011219770_100000754431 [0,2,0,0,0,0|1,0,0]=3 4402 B10R0.40 C=CCCC(=O)C(F)(F)CC 1458a_100000061896_100000754431 [0,2,0,0,0,0|1,0,0]=3 4403 B10R0.40 C=CCNC(=O)C(C)(C)CC 1626a_100020586998_100000749717 [0,2,0,0,0,0|2,0,0]=4 4404 B10R0.40 C=CCNC(=O)C(C)(C)CC 240690a_100020586998_100000749717 [0,2,0,0,0,0|2,0,0]=4 4405 B10R0.40 C=CCNC(=O)C(C)(C)CC 527a_100020586998_100000749717 [0,2,0,0,0,0|2,0,0]=4 4406 B10R0.40 C=CCNC(=O)C(C)(O)CC 240690a_100020586998_100011219770 [0,2,0,0,0,0|2,0,0]=4 4407 B10R0.40 C=CCNC(=O)C(F)(F)CC 1626a_100020586998_100000061896 [0,2,0,0,0,0|2,0,0]=4 4408 B10R0.40 C=CCNC(=O)C(F)(F)CC 240690a_100020586998_100000061896 [0,2,0,0,0,0|2,0,0]=4 4409 B10R0.40 C=CCNC(=O)C(F)(F)CC 527a_100020586998_100000061896 [0,2,0,0,0,0|2,0,0]=4 4410 B10R0.46 C=CC(=O)CC(=O)N(C)CC 1458a_100000185746_100011894763 [0,2,0,0,0,0|1,0,1]=4 4411 B10R0.46 C=CC(C)CC(=O)C(C)CC 1458a_100011934298_100000758301 [0,2,0,0,0,0|1,0,0]=3 4412 B10R0.46 C=CC(C)CC(=O)N(C)CC 11a_100000225621_100011934298 [0,2,0,0,0,0|1,0,0]=3 4413 B10R0.46 C=CC(C)CC(=O)N(C)CC 1626a_100000225621_100011934298 [0,2,0,0,0,0|1,0,0]=3 4414 B10R0.46 C=CC(C)CC(=O)N(C)CC 240690a_100000225621_100011934298 [0,2,0,0,0,0|1,0,0]=3 4415 B10R0.46 C=CC(C)CC(=O)N(C)CC 527a_100000225621_100011934298 [0,2,0,0,0,0|1,0,0]=3 4416 B10R0.57 C=C(C)CCC(=O)/C(=C/C)/C 1458a_100020587367_100000730704 [0,2,0,0,0,0|1,0,1]=4 4417 B10R0.57 C=C(C)CCC(=O)C(=O)NC 1458a_100011218921_100000730704 [0,2,0,0,0,0|2,0,0]=4 4418 B10R0.57 C=C(C)CCC(=O)C(C)CC 1458a_100011192722_100000730704 [0,2,0,0,0,0|1,0,0]=3 4419 B10R0.57 C=C(C)CCC(=O)C(C)CC 1458a_200000688413_100000758301 [0,2,0,0,0,0|1,0,0]=3 4420 B10R0.57 C=C(C)CCC(=O)C(C)OC 1458a_100000743197_100000730704 [0,2,0,0,0,0|2,0,0]=4 4421 B10R0.57 C=C(C)CCC(=O)C(C)SC 1458a_100000149566_100000730704 [0,2,0,0,0,0|2,0,0]=4 4422 B10R0.57 C=C(C)CCC(=O)C(O)CC 1458a_100011196387_100000730704 [0,2,0,0,0,0|1,0,0]=3 4423 B10R0.57 C=C(C)CCC(=O)C(O)CO 1458a_100011215603_100000730704 [0,2,0,0,0,0|2,0,0]=4 4424 B10R0.57 C=C(C)CCC(=O)N(C)CC 11a_100000225621_200000688413 [0,2,0,0,0,0|1,0,0]=3 4425 B10R0.57 C=C(C)CCC(=O)N(C)CC 1626a_100000225621_200000688413 [0,2,0,0,0,0|1,0,0]=3 4426 B10R0.57 C=C(C)CCC(=O)N(C)CC 240690a_100000225621_200000688413 [0,2,0,0,0,0|1,0,0]=3 4427 B10R0.57 C=C(C)CCC(=O)N(C)CC 527a_100000225621_200000688413 [0,2,0,0,0,0|1,0,0]=3 4428 B10R0.57 C=C(C)CNC(=O)C(C)CC 11a_100000765925_100011192722 [0,2,0,0,0,0|2,0,0]=4 4429 B10R0.57 C=C(C)CNC(=O)C(C)CC 1626a_100000765925_100011192722 [0,2,0,0,0,0|2,0,0]=4 4430 B10R0.57 C=C(C)CNC(=O)C(C)CC 240690a_100000765925_100011192722 [0,2,0,0,0,0|2,0,0]=4 4431 B10R0.57 C=C(C)CNC(=O)C(C)CC 527a_100000765925_100011192722 [0,2,0,0,0,0|2,0,0]=4 4432 B10R0.57 C=C(C)CNC(=O)C(O)CC 240690a_100000765925_100011196387 [0,2,0,0,0,0|2,0,0]=4 4433 B10R0.57 C=C(C)CNC(=O)N(C)CC 2708a_100000765925_100000225621 [0,2,0,0,0,0|2,0,0]=4 4434 B10R0.57 C=C(C)CNC(=O)N(C)CC 273464a_100000765925_100000225621 [0,2,0,0,0,0|2,0,0]=4 4435 B10R0.57 CCC(C)C(=O)CCC(=O)N 1458a_100011215257_100000758301 [0,2,0,0,0,0|2,0,0]=4 4436 B10R0.57 CCN(C)C(=O)CCC(=O)N 240690a_100000225621_100011215257 [0,2,0,0,0,0|2,0,0]=4 4437 B10R0.57 CCN(C)C(=O)CCC(=O)N 527a_100000225621_100011215257 [0,2,0,0,0,0|2,0,0]=4 4438 B10R0.78 C#CCCC(=O)CCC(=C)C 1458a_100000692101_100000730704 [0,2,0,0,0,0|1,0,1]=4 4439 B10R0.78 C#CCCC(=O)CCC(=C)C 1458a_200000688413_100000753159 [0,2,0,0,0,0|1,0,1]=4 4440 B10R0.78 C#CCCC(=O)COC(C)C 1458a_100000745533_100000753159 [0,2,0,0,0,0|0,0,2]=4 4441 B10R0.78 C#CCNC(=O)CCC(=C)C 11a_100000212058_200000688413 [0,2,0,0,0,0|1,0,1]=4 4442 B10R0.78 C#CCNC(=O)CCC(=C)C 1626a_100000212058_200000688413 [0,2,0,0,0,0|1,0,1]=4 4443 B10R0.78 C#CCNC(=O)CCC(=C)C 240690a_100000212058_200000688413 [0,2,0,0,0,0|1,0,1]=4 4444 B10R0.78 C#CCNC(=O)CCC(=C)C 527a_100000212058_200000688413 [0,2,0,0,0,0|1,0,1]=4 4445 B10R0.78 C/C=C/CC(=O)COC(C)C 1458a_100000745533_100102629194 [0,2,0,0,0,0|0,0,2]=4 4446 B10R0.78 C=C(C)CCC(=O)C#CCC 1458a_100011827653_100000730704 [0,2,0,0,0,0|1,0,0]=3 4447 B10R0.78 C=C(C)CCC(=O)C#CCO 1458a_100000049017_100000730704 [0,2,0,0,0,0|1,0,1]=4 4448 B10R0.78 C=C(C)CCC(=O)C/C=C/C 1458a_200000688413_100102629194 [0,2,0,0,0,0|1,0,1]=4 4449 B10R0.78 C=C(C)CCC(=O)C=CCC 1458a_100000212282_100000730704 [0,2,0,0,0,0|1,0,0]=3 4450 B10R0.78 C=C(C)CCC(=O)C=COC 1458a_100016268678_100000730704 [0,2,0,0,0,0|1,0,1]=4 4451 B10R0.78 C=C(C)CCC(=O)CC#CC 1458a_200000688413_100000748600 [0,2,0,0,0,0|1,0,1]=4 4452 B10R0.78 C=C(C)CCC(=O)CC=CC 1458a_100121576822_100000730704 [0,2,0,0,0,0|1,0,1]=4 4453 B10R0.78 C=C(C)CCC(=O)CC=CC 1458a_200000688413_100000070051 [0,2,0,0,0,0|1,0,1]=4 4454 B10R0.78 C=C(C)CCC(=O)CCC#N 1458a_100011934036_100000730704 [0,2,0,0,0,0|1,0,1]=4 4455 B10R0.78 C=C(C)CCC(=O)CCC#N 1458a_200000688413_100011215226 [0,2,0,0,0,0|1,0,1]=4 4456 B10R0.78 C=C(C)CCC(=O)CCCC 1458a_100000210183_100000730704 [0,2,0,0,0,0|1,0,0]=3 4457 B10R0.78 C=C(C)CCC(=O)CCCC 1458a_200000688413_100000210211 [0,2,0,0,0,0|1,0,0]=3 4458 B10R0.78 C=C(C)CCC(=O)CCCF 1458a_200000688413_100011934791 [0,2,0,0,0,0|1,0,0]=3 4459 B10R0.78 C=C(C)CCC(=O)CCCO 1458a_200000688413_100011215043 [0,2,0,0,0,0|1,0,0]=3 4460 B10R0.78 C=C(C)CCC(=O)CCOC 1458a_100000749529_100000730704 [0,2,0,0,0,0|1,0,0]=3 4461 B10R0.78 C=C(C)CCC(=O)CCOC 1458a_200000688413_100000233755 [0,2,0,0,0,0|1,0,0]=3 4462 B10R0.78 C=C(C)CCC(=O)CCSC 1458a_100000174002_100000730704 [0,2,0,0,0,0|1,0,0]=3 4463 B10R0.78 C=C(C)CCC(=O)CCSC 1458a_200000688413_100000751147 [0,2,0,0,0,0|1,0,0]=3 4464 B10R0.78 C=C(C)CCC(=O)COCC 1458a_100000211967_100000730704 [0,2,0,0,0,0|0,0,0]=2 4465 B10R0.78 C=C(C)CCC(=O)CSCC 1458a_100000230394_100000730704 [0,2,0,0,0,0|0,1,0]=3 4466 B10R0.78 C=C(C)CCC(=O)NCC#N 1626a_100000734998_200000688413 [0,2,0,0,0,0|1,0,1]=4 4467 B10R0.78 C=C(C)CCC(=O)NCC#N 527a_100000734998_200000688413 [0,2,0,0,0,0|1,0,1]=4 4468 B10R0.78 C=C(C)CCC(=O)NCCC 11a_100020643023_200000688413 [0,2,0,0,0,0|1,0,0]=3 4469 B10R0.78 C=C(C)CCC(=O)NCCC 1626a_100020643023_200000688413 [0,2,0,0,0,0|1,0,0]=3 4470 B10R0.78 C=C(C)CCC(=O)NCCC 240690a_100020643023_200000688413 [0,2,0,0,0,0|1,0,0]=3 4471 B10R0.78 C=C(C)CCC(=O)NCCC 527a_100020643023_200000688413 [0,2,0,0,0,0|1,0,0]=3 4472 B10R0.78 C=C(C)CCC(=O)NCCF 11a_100000724931_200000688413 [0,2,0,0,0,0|1,0,0]=3 4473 B10R0.78 C=C(C)CCC(=O)NCCF 1626a_100000724931_200000688413 [0,2,0,0,0,0|1,0,0]=3 4474 B10R0.78 C=C(C)CCC(=O)NCCF 240690a_100000724931_200000688413 [0,2,0,0,0,0|1,0,0]=3 4475 B10R0.78 C=C(C)CCC(=O)NCCF 527a_100000724931_200000688413 [0,2,0,0,0,0|1,0,0]=3 4476 B10R0.78 C=C(C)CCC(=O)NCCO 240690a_100000210304_200000688413 [0,2,0,0,0,0|1,0,0]=3 4477 B10R0.78 C=C(C)CCC(=O)NCCO 527a_100000210304_200000688413 [0,2,0,0,0,0|1,0,0]=3 4478 B10R0.78 C=C(C)CCC(=O)NNCC 22a_100000756455_200000688413 [0,2,0,0,0,0|1,0,0]=3 4479 B10R0.78 C=C(C)CNC(=O)C=CCC 11a_100000765925_100000212282 [0,2,0,0,0,0|2,0,0]=4 4480 B10R0.78 C=C(C)CNC(=O)C=CCC 1626a_100000765925_100000212282 [0,2,0,0,0,0|2,0,0]=4 4481 B10R0.78 C=C(C)CNC(=O)C=CCC 240690a_100000765925_100000212282 [0,2,0,0,0,0|2,0,0]=4 4482 B10R0.78 C=C(C)CNC(=O)CCCC 11a_100000765925_100000210183 [0,2,0,0,0,0|2,0,0]=4 4483 B10R0.78 C=C(C)CNC(=O)CCCC 1626a_100000765925_100000210183 [0,2,0,0,0,0|2,0,0]=4 4484 B10R0.78 C=C(C)CNC(=O)CCCC 240690a_100000765925_100000210183 [0,2,0,0,0,0|2,0,0]=4 4485 B10R0.78 C=C(C)CNC(=O)CCCC 527a_100000765925_100000210183 [0,2,0,0,0,0|2,0,0]=4 4486 B10R0.78 C=C(C)CNC(=O)CCOC 11a_100000765925_100000749529 [0,2,0,0,0,0|2,0,0]=4 4487 B10R0.78 C=C(C)CNC(=O)CCOC 1626a_100000765925_100000749529 [0,2,0,0,0,0|2,0,0]=4 4488 B10R0.78 C=C(C)CNC(=O)CCOC 240690a_100000765925_100000749529 [0,2,0,0,0,0|2,0,0]=4 4489 B10R0.78 C=C(C)CNC(=O)CCOC 527a_100000765925_100000749529 [0,2,0,0,0,0|2,0,0]=4 4490 B10R0.78 C=C(C)CNC(=O)CCSC 11a_100000765925_100000174002 [0,2,0,0,0,0|2,0,0]=4 4491 B10R0.78 C=C(C)CNC(=O)CCSC 1626a_100000765925_100000174002 [0,2,0,0,0,0|2,0,0]=4 4492 B10R0.78 C=C(C)CNC(=O)CCSC 240690a_100000765925_100000174002 [0,2,0,0,0,0|2,0,0]=4 4493 B10R0.78 C=C(C)CNC(=O)CCSC 527a_100000765925_100000174002 [0,2,0,0,0,0|2,0,0]=4 4494 B10R0.78 C=C(C)CNC(=O)COCC 11a_100000765925_100000211967 [0,2,0,0,0,0|1,0,0]=3 4495 B10R0.78 C=C(C)CNC(=O)COCC 1626a_100000765925_100000211967 [0,2,0,0,0,0|1,0,0]=3 4496 B10R0.78 C=C(C)CNC(=O)COCC 240690a_100000765925_100000211967 [0,2,0,0,0,0|1,0,0]=3 4497 B10R0.78 C=C(C)CNC(=O)COCC 527a_100000765925_100000211967 [0,2,0,0,0,0|1,0,0]=3 4498 B10R0.78 C=C(C)CNC(=O)CSCC 11a_100000765925_100000230394 [0,2,0,0,0,0|1,1,0]=4 4499 B10R0.78 C=C(C)CNC(=O)CSCC 1626a_100000765925_100000230394 [0,2,0,0,0,0|1,1,0]=4 4500 B10R0.78 C=C(C)CNC(=O)CSCC 240690a_100000765925_100000230394 [0,2,0,0,0,0|1,1,0]=4 4501 B10R0.78 C=C(C)CNC(=O)CSCC 527a_100000765925_100000230394 [0,2,0,0,0,0|1,1,0]=4 4502 B10R0.78 C=C(C)CNC(=O)NCCC 2708a_100000765925_100020643023 [0,2,0,0,0,0|2,0,0]=4 4503 B10R0.78 C=C(C)CNC(=O)NCCC 2708a_100020643023_100000765925 [0,2,0,0,0,0|2,0,0]=4 4504 B10R0.78 C=C(C)CNC(=O)NCCC 273464a_100000765925_100020643023 [0,2,0,0,0,0|2,0,0]=4 4505 B10R0.78 C=C(C)CNC(=O)NCCC 273464a_100020643023_100000765925 [0,2,0,0,0,0|2,0,0]=4 4506 B10R0.78 C=C(C)CNC(=O)NCCC 512a_100000765925_100020643023 [0,2,0,0,0,0|2,0,0]=4 4507 B10R0.78 C=C(C)CNC(=O)NCCC 512a_100020643023_100000765925 [0,2,0,0,0,0|2,0,0]=4 4508 B10R0.78 C=C(C)CNC(=O)NCCF 2708a_100000765925_100000724931 [0,2,0,0,0,0|2,0,0]=4 4509 B10R0.78 C=C(C)CNC(=O)NCCF 273464a_100000724931_100000765925 [0,2,0,0,0,0|2,0,0]=4 4510 B10R0.78 C=C(C)CNC(=O)NCCF 273464a_100000765925_100000724931 [0,2,0,0,0,0|2,0,0]=4 4511 B10R0.78 C=C(C)CNC(=O)NCCF 512a_100000765925_100000724931 [0,2,0,0,0,0|2,0,0]=4 4512 B10R0.78 C=C(C)CNC(=O)NCCO 2708a_100000765925_100000210304 [0,2,0,0,0,0|2,0,0]=4 4513 B10R0.78 C=C(C)CNC(=O)NCCO 273464a_100000210304_100000765925 [0,2,0,0,0,0|2,0,0]=4 4514 B10R0.78 C=C(C)CNC(=O)NCCO 273464a_100000765925_100000210304 [0,2,0,0,0,0|2,0,0]=4 4515 B10R0.78 C=C(C)CNC(=O)NCCO 512a_100000765925_100000210304 [0,2,0,0,0,0|2,0,0]=4 4516 B10R0.78 C=C(C)CNC(=O)NNCC 273464a_100000765925_100000756455 [0,2,0,0,0,0|2,0,0]=4 4517 B10R0.78 C=C(C)CNC(=O)NNCC 512a_100000756455_100000765925 [0,2,0,0,0,0|2,0,0]=4 4518 B10R0.78 C=C(C)CNC(=O)NNCC 512a_100000765925_100000756455 [0,2,0,0,0,0|2,0,0]=4 4519 B10R0.78 C=CCCC(=NNC(C)C)C 4a_100000741168_100000762624 [0,2,0,0,0,0|2,0,0]=4 4520 B10R0.78 C=CCCC(=O)C=CC(C)C 1458a_100016268746_100000754431 [0,2,0,0,0,0|1,0,0]=3 4521 B10R0.78 C=CCCC(=O)CC=C(C)C 1458a_100000749702_100000761012 [0,2,0,0,0,0|1,0,1]=4 4522 B10R0.78 C=CCCC(=O)CC=C(C)C 1458a_100011220947_100000754431 [0,2,0,0,0,0|1,0,1]=4 4523 B10R0.78 C=CCCC(=O)CCC(=C)C 1458a_100000749702_100000730704 [0,2,0,0,0,0|1,0,0]=3 4524 B10R0.78 C=CCCC(=O)CCC(=C)C 1458a_200000688413_100000754431 [0,2,0,0,0,0|1,0,0]=3 4525 B10R0.78 C=CCCC(=O)CCC(=O)N 1458a_100011215257_100000754431 [0,2,0,0,0,0|1,0,1]=4 4526 B10R0.78 C=CCCC(=O)CCC(C)C 1458a_100000181311_100000754431 [0,2,0,0,0,0|1,0,0]=3 4527 B10R0.78 C=CCCC(=O)CCC(C)C 1458a_100000749702_100000210312 [0,2,0,0,0,0|1,0,0]=3 4528 B10R0.78 C=CCCC(=O)CCC(C)O 1458a_100000749702_100012276601 [0,2,0,0,0,0|1,0,0]=3 4529 B10R0.78 C=CCCC(=O)CC[N+](=O)[O-] 1458a_200000064761_100000754431 [0,2,0,0,0,0|2,0,0]=4 4530 B10R0.78 C=CCCC(=O)CC[S+](C)C 1458a_100009452791_100000754431 [0,2,0,0,0,0|1,0,0]=3 4531 B10R0.78 C=CCCC(=O)CNC(=O)C 1458a_100000194580_100000754431 [0,2,0,0,0,0|1,0,1]=4 4532 B10R0.78 C=CCCC(=O)COC(=O)C 1458a_100000183556_100000754431 [0,2,0,0,0,0|0,0,1]=3 4533 B10R0.78 C=CCCC(=O)COC(C)C 1458a_100000745533_100000754431 [0,2,0,0,0,0|0,0,0]=2 4534 B10R0.78 C=CCCC(=O)COC(F)F 1458a_200000719455_100000754431 [0,2,0,0,0,0|1,0,0]=3 4535 B10R0.78 C=CCCC(=O)CSC(=O)C 1458a_100000049016_100000754431 [0,2,0,0,0,0|0,1,1]=4 4536 B10R0.78 C=CCCC(=O)CSC(C)C 1458a_100000241585_100000754431 [0,2,0,0,0,0|0,1,0]=3 4537 B10R0.78 C=CCCC(=O)CSC(F)F 1458a_114828291038_100000754431 [0,2,0,0,0,0|1,1,0]=4 4538 B10R0.78 C=CCCC(=O)NCC(=C)C 11a_100000765925_100000749702 [0,2,0,0,0,0|1,0,0]=3 4539 B10R0.78 C=CCCC(=O)NCC(=C)C 1626a_100000765925_100000749702 [0,2,0,0,0,0|1,0,0]=3 4540 B10R0.78 C=CCCC(=O)NCC(=C)C 240690a_100000765925_100000749702 [0,2,0,0,0,0|1,0,0]=3 4541 B10R0.78 C=CCCC(=O)NCC(=C)C 527a_100000765925_100000749702 [0,2,0,0,0,0|1,0,0]=3 4542 B10R0.78 C=CCCC(=O)NCC(=O)N 11a_100000711301_100000749702 [0,2,0,0,0,0|1,0,1]=4 4543 B10R0.78 C=CCCC(=O)NCC(=O)N 240690a_100000711301_100000749702 [0,2,0,0,0,0|1,0,1]=4 4544 B10R0.78 C=CCCC(=O)NCC(=O)N 527a_100000711301_100000749702 [0,2,0,0,0,0|1,0,1]=4 4545 B10R0.78 C=CCCC(=O)NCC(C)C 11a_100000210953_100000749702 [0,2,0,0,0,0|1,0,0]=3 4546 B10R0.78 C=CCCC(=O)NCC(C)C 1626a_100000210953_100000749702 [0,2,0,0,0,0|1,0,0]=3 4547 B10R0.78 C=CCCC(=O)NCC(C)C 240690a_100000210953_100000749702 [0,2,0,0,0,0|1,0,0]=3 4548 B10R0.78 C=CCCC(=O)NCC(C)C 527a_100000210953_100000749702 [0,2,0,0,0,0|1,0,0]=3 4549 B10R0.78 C=CCCC(=O)NCC(C)O 11a_100000210904_100000749702 [0,2,0,0,0,0|1,0,0]=3 4550 B10R0.78 C=CCCC(=O)NCC(C)O 240690a_100000210904_100000749702 [0,2,0,0,0,0|1,0,0]=3 4551 B10R0.78 C=CCCC(=O)NCC(C)O 527a_100000210904_100000749702 [0,2,0,0,0,0|1,0,0]=3 4552 B10R0.78 C=CCCC(=O)NCC(F)F 11a_100000765723_100000749702 [0,2,0,0,0,0|1,0,0]=3 4553 B10R0.78 C=CCCC(=O)NCC(F)F 1626a_100000765723_100000749702 [0,2,0,0,0,0|1,0,0]=3 4554 B10R0.78 C=CCCC(=O)NCC(F)F 240690a_100000765723_100000749702 [0,2,0,0,0,0|1,0,0]=3 4555 B10R0.78 C=CCCC(=O)NCC(F)F 527a_100000765723_100000749702 [0,2,0,0,0,0|1,0,0]=3 4556 B10R0.78 C=CCCC(=O)NNC(=O)C 22a_100000189765_100000749702 [0,2,0,0,0,0|1,0,1]=4 4557 B10R0.78 C=CCCC(=O)NNC(C)C 22a_100000741168_100000749702 [0,2,0,0,0,0|1,0,0]=3 4558 B10R0.78 C=CCCC(C)OCC(=C)C 34a_100000765329_100000748629 [0,2,0,0,0,0|1,0,1]=4 4559 B10R0.78 C=CCCC(C)OCC(=C)C 7a_100000765329_100000748629 [0,2,0,0,0,0|1,0,1]=4 4560 B10R0.78 C=CCCC(C)OCC(C)C 34a_100000765329_100000210624 [0,2,0,0,0,0|1,0,1]=4 4561 B10R0.78 C=CCCC(C)OCC(C)C 7a_100000765329_100000210760 [0,2,0,0,0,0|1,0,1]=4 4562 B10R0.78 C=CCCC(C)OCC(C)O 34a_100000765329_100011218427 [0,2,0,0,0,0|1,0,1]=4 4563 B10R0.78 C=CCCC(C)OCC(C)O 7a_100000765329_100011218427 [0,2,0,0,0,0|1,0,1]=4 4564 B10R0.78 C=CCCC(C)OCC(F)F 34a_100000765329_100011934356 [0,2,0,0,0,0|1,0,1]=4 4565 B10R0.78 C=CCCC(C)OCC(F)F 7a_100000765329_100011934356 [0,2,0,0,0,0|1,0,1]=4 4566 B10R0.78 C=CCCC(C)OC[C@@H](C)O 34a_100000765329_100009817552 [0,2,0,0,0,0|1,0,1]=4 4567 B10R0.78 C=CCCC(C)OC[C@@H](C)O 7a_100000765329_100009817552 [0,2,0,0,0,0|1,0,1]=4 4568 B10R0.78 C=CCCN(C)COC(C)C 2230a_100020639649_100000709892 [0,2,0,0,0,0|2,0,0]=4 4569 B10R0.78 C=CCCN(C)COC(C)C 269982a_100020639649_100000709892 [0,2,0,0,0,0|2,0,0]=4 4570 B10R0.78 C=CCNC(=O)C=CC(C)C 1626a_100020586998_100016268746 [0,2,0,0,0,0|2,0,0]=4 4571 B10R0.78 C=CCNC(=O)C=CC(C)C 240690a_100020586998_100016268746 [0,2,0,0,0,0|2,0,0]=4 4572 B10R0.78 C=CCNC(=O)CCC(=C)C 1626a_100020586998_200000688413 [0,2,0,0,0,0|1,0,1]=4 4573 B10R0.78 C=CCNC(=O)CCC(=C)C 240690a_100020586998_200000688413 [0,2,0,0,0,0|1,0,1]=4 4574 B10R0.78 C=CCNC(=O)CCC(=C)C 527a_100020586998_200000688413 [0,2,0,0,0,0|1,0,1]=4 4575 B10R0.78 C=CCNC(=O)CCC(C)C 1626a_100020586998_100000181311 [0,2,0,0,0,0|2,0,0]=4 4576 B10R0.78 C=CCNC(=O)CCC(C)C 240690a_100020586998_100000181311 [0,2,0,0,0,0|2,0,0]=4 4577 B10R0.78 C=CCNC(=O)CCC(C)C 527a_100020586998_100000181311 [0,2,0,0,0,0|2,0,0]=4 4578 B10R0.78 C=CCNC(=O)CCC(C)O 1626a_100020586998_100000718519 [0,2,0,0,0,0|2,0,0]=4 4579 B10R0.78 C=CCNC(=O)CCN(C)C 2230a_100102631434_100011222895 [0,2,0,0,0,0|2,0,0]=4 4580 B10R0.78 C=CCNC(=O)CCN(C)C 240690a_100020586998_100000689311 [0,2,0,0,0,0|2,0,0]=4 4581 B10R0.78 C=CCNC(=O)CCN(C)C 269982a_100102631434_100011222895 [0,2,0,0,0,0|2,0,0]=4 4582 B10R0.78 C=CCNC(=O)CCN(C)C 527a_100020586998_100000689311 [0,2,0,0,0,0|2,0,0]=4 4583 B10R0.78 C=CCNC(=O)CC[S+](C)C 1626a_100020586998_100009452791 [0,2,0,0,0,0|2,0,0]=4 4584 B10R0.78 C=CCNC(=O)CC[S+](C)C 240690a_100020586998_100009452791 [0,2,0,0,0,0|2,0,0]=4 4585 B10R0.78 C=CCNC(=O)CNC(C)C 2230a_100138425928_100000183597 [0,2,0,0,0,0|2,0,0]=4 4586 B10R0.78 C=CCNC(=O)COC(=O)C 1626a_100020586998_100000183556 [0,2,0,0,0,0|1,0,1]=4 4587 B10R0.78 C=CCNC(=O)COC(=O)C 240690a_100020586998_100000183556 [0,2,0,0,0,0|1,0,1]=4 4588 B10R0.78 C=CCNC(=O)COC(=O)C 527a_100020586998_100000183556 [0,2,0,0,0,0|1,0,1]=4 4589 B10R0.78 C=CCNC(=O)COC(C)C 1626a_100020586998_100000745533 [0,2,0,0,0,0|1,0,0]=3 4590 B10R0.78 C=CCNC(=O)COC(C)C 240690a_100020586998_100000745533 [0,2,0,0,0,0|1,0,0]=3 4591 B10R0.78 C=CCNC(=O)COC(C)C 527a_100020586998_100000745533 [0,2,0,0,0,0|1,0,0]=3 4592 B10R0.78 C=CCNC(=O)COC(F)F 1626a_100020586998_200000719455 [0,2,0,0,0,0|2,0,0]=4 4593 B10R0.78 C=CCNC(=O)COC(F)F 240690a_100020586998_200000719455 [0,2,0,0,0,0|2,0,0]=4 4594 B10R0.78 C=CCNC(=O)COC(F)F 527a_100020586998_200000719455 [0,2,0,0,0,0|2,0,0]=4 4595 B10R0.78 C=CCNC(=O)CSC(C)C 1626a_100020586998_100000241585 [0,2,0,0,0,0|1,1,0]=4 4596 B10R0.78 C=CCNC(=O)CSC(C)C 240690a_100020586998_100000241585 [0,2,0,0,0,0|1,1,0]=4 4597 B10R0.78 C=CCNC(=O)CSC(C)C 527a_100020586998_100000241585 [0,2,0,0,0,0|1,1,0]=4 4598 B10R0.78 C=CCNC(=O)CSC(C)C 62a_100000183597_100000210206 [0,2,0,0,0,0|1,1,0]=4 4599 B10R0.78 C=CCNC(=O)CSC(C)C 62a_100000210206_100000183597 [0,2,0,0,0,0|1,1,0]=4 4600 B10R0.78 C=CCNC(=O)NCC(=C)C 2708a_100000765925_100020586998 [0,2,0,0,0,0|2,0,0]=4 4601 B10R0.78 C=CCNC(=O)NCC(=C)C 273464a_100000765925_100020586998 [0,2,0,0,0,0|2,0,0]=4 4602 B10R0.78 C=CCNC(=O)NCC(=C)C 273464a_100020586998_100000765925 [0,2,0,0,0,0|2,0,0]=4 4603 B10R0.78 C=CCNC(=O)NCC(=C)C 512a_100000765925_100020586998 [0,2,0,0,0,0|2,0,0]=4 4604 B10R0.78 C=CCNC(=O)NCC(=C)C 512a_100020586998_100000765925 [0,2,0,0,0,0|2,0,0]=4 4605 B10R0.78 C=CCNC(=O)NCC(C)C 2708a_100000210953_100020586998 [0,2,0,0,0,0|2,0,0]=4 4606 B10R0.78 C=CCNC(=O)NCC(C)C 273464a_100000210953_100020586998 [0,2,0,0,0,0|2,0,0]=4 4607 B10R0.78 C=CCNC(=O)NCC(C)C 273464a_100020586998_100000210953 [0,2,0,0,0,0|2,0,0]=4 4608 B10R0.78 C=CCNC(=O)NCC(C)C 512a_100000210953_100020586998 [0,2,0,0,0,0|2,0,0]=4 4609 B10R0.78 C=CCNC(=O)NCC(C)C 512a_100020586998_100000210953 [0,2,0,0,0,0|2,0,0]=4 4610 B10R0.78 C=CCNC(=O)NCC(C)O 273464a_100000210904_100020586998 [0,2,0,0,0,0|2,0,0]=4 4611 B10R0.78 C=CCNC(=O)NCC(C)O 273464a_100020586998_100000210904 [0,2,0,0,0,0|2,0,0]=4 4612 B10R0.78 C=CCNC(=O)NCC(C)O 512a_100000210904_100020586998 [0,2,0,0,0,0|2,0,0]=4 4613 B10R0.78 C=CCNC(=O)NCC(C)O 512a_100020586998_100000210904 [0,2,0,0,0,0|2,0,0]=4 4614 B10R0.78 C=CCNC(=O)NCC(F)F 273464a_100000765723_100020586998 [0,2,0,0,0,0|2,0,0]=4 4615 B10R0.78 C=CCNC(=O)NCC(F)F 273464a_100020586998_100000765723 [0,2,0,0,0,0|2,0,0]=4 4616 B10R0.78 C=CCNC(=O)NCC(F)F 512a_100000765723_100020586998 [0,2,0,0,0,0|2,0,0]=4 4617 B10R0.78 C=CCNC(=O)NCC(F)F 512a_100020586998_100000765723 [0,2,0,0,0,0|2,0,0]=4 4618 B10R0.78 C=CCNC(=O)NNC(C)C 273464a_100020586998_100000741168 [0,2,0,0,0,0|2,0,0]=4 4619 B10R0.78 C=CCNC(=O)NNC(C)C 512a_100000741168_100020586998 [0,2,0,0,0,0|2,0,0]=4 4620 B10R0.78 C=CCNC(=O)NNC(C)C 512a_100020586998_100000741168 [0,2,0,0,0,0|2,0,0]=4 4621 B10R0.78 C=CCOC(=O)CNC(C)C 2230a_100138425928_100000033060 [0,2,0,0,0,0|2,0,0]=4 4622 B10R0.78 C=CCOC(=O)CNC(C)C 34a_100138425928_100000033060 [0,2,0,0,0,0|2,0,0]=4 4623 B10R0.78 C=CCOC(=O)COC(C)C 34a_100000212225_100000033060 [0,2,0,0,0,0|1,0,0]=3 4624 B10R0.78 C=CCOC(=O)CSC(C)C 62a_100000033060_100000210206 [0,2,0,0,0,0|1,1,0]=4 4625 B10R0.78 C=CCOC(=O)CSC(C)C 62a_100000210206_100000033060 [0,2,0,0,0,0|1,1,0]=4 4626 B10R0.78 C=CCOC(=O)NCC(=O)C 1458a_100000216761_200000210301 [0,2,0,0,0,0|2,0,0]=4 4627 B10R0.78 C=CCOC(=O)NCC(=O)[13CH3] 1458a_100000216761_200025704644 [0,2,0,0,0,0|2,0,0]=4 4628 B10R0.78 CC(C)OCC(=O)CCC#N 1458a_100000745533_100011215226 [0,2,0,0,0,0|1,0,1]=4 4629 B10R0.78 CC(C)OCC(=O)CCCF 1458a_100000745533_100011934791 [0,2,0,0,0,0|1,0,1]=4 4630 B10R0.78 CC(C)OCC(=O)CCCO 1458a_100000745533_100011215043 [0,2,0,0,0,0|1,0,1]=4 4631 B10R0.78 CC=CCC(=O)COC(C)C 1458a_100000745533_100000070051 [0,2,0,0,0,0|0,0,2]=4 4632 B10R0.78 CCCCC(=O)CCC(=O)N 1458a_100011215257_100000210211 [0,2,0,0,0,0|2,0,0]=4 4633 B10R0.78 CCCCC(=O)COC(C)C 1458a_100000745533_100000210211 [0,2,0,0,0,0|0,0,2]=4 4634 B10R0.78 CCCNC(=O)CCC(=O)C 1458a_100000199543_200000210301 [0,2,0,0,0,0|1,0,1]=4 4635 B10R0.78 CCCNC(=O)CCC(=O)N 240690a_100020643023_100011215257 [0,2,0,0,0,0|2,0,0]=4 4636 B10R0.78 CCCNC(=O)CCC(=O)N 527a_100020643023_100011215257 [0,2,0,0,0,0|2,0,0]=4 4637 B10R0.78 CCCNC(=O)CCC(=O)[13CH3] 1458a_100000199543_200025704644 [0,2,0,0,0,0|1,0,1]=4 4638 B10R0.78 CCCOC(=O)OCC(=O)C 1458a_100000070787_200000139673 [0,2,0,0,0,0|1,0,1]=4 4639 B10R0.78 CCNNC(=O)CCC(=O)N 22a_100000756455_100011215257 [0,2,0,0,0,0|2,0,0]=4 4640 B10R0.78 CCOCC(=O)CC=C(C)C 1458a_100000211967_100000761012 [0,2,0,0,0,0|0,0,2]=4 4641 B10R0.78 CCOCC(=O)CCC(C)C 1458a_100000211967_100000210312 [0,2,0,0,0,0|0,0,2]=4 4642 B10R0.78 CCOCC(=O)CCC(C)O 1458a_100000211967_100012276601 [0,2,0,0,0,0|0,0,2]=4 4643 B10R0.78 CCOCC(=O)COC(=O)C 34a_100121572206_100000036994 [0,2,0,0,0,0|1,0,1]=4 4644 B10R0.78 CCOCC(=O)NCC(=O)N 11a_100000711301_100000211967 [0,2,0,0,0,0|2,0,0]=4 4645 B10R0.78 CCOCC(=O)NCC(=O)N 240690a_100000711301_100000211967 [0,2,0,0,0,0|2,0,0]=4 4646 B10R0.78 CCOCC(=O)NCC(=O)N 527a_100000711301_100000211967 [0,2,0,0,0,0|2,0,0]=4 4647 B10R0.78 COCCC(=O)CCC(=O)N 1458a_100011215257_100000233755 [0,2,0,0,0,0|2,0,0]=4 4648 B10R0.78 COCCC(=O)COC(C)C 1458a_100000745533_100000233755 [0,2,0,0,0,0|1,0,1]=4 4649 B10R0.78 CSCCC(=O)CCC(=O)N 1458a_100011215257_100000751147 [0,2,0,0,0,0|2,0,0]=4 4650 B10R0.78 CSCCC(=O)COC(C)C 1458a_100000745533_100000751147 [0,2,0,0,0,0|1,0,1]=4 4651 B10R0.78 NC(=O)CCC(=O)CCCF 1458a_100011215257_100011934791 [0,2,0,0,0,0|2,0,0]=4 4652 B10R0.78 NC(=O)CCC(=O)CCCO 1458a_100011215257_100011215043 [0,2,0,0,0,0|2,0,0]=4 4653 B10R0.78 NC(=O)CCC(=O)NCCF 240690a_100000724931_100011215257 [0,2,0,0,0,0|2,0,0]=4 4654 B10R0.78 NC(=O)CCC(=O)NCCF 527a_100000724931_100011215257 [0,2,0,0,0,0|2,0,0]=4 4655 B10R0.78 NC(=O)CCC(=O)NCCO 240690a_100000210304_100011215257 [0,2,0,0,0,0|2,0,0]=4 4656 B10R0.78 NC(=O)CCC(=O)NCCO 527a_100000210304_100011215257 [0,2,0,0,0,0|2,0,0]=4 4657 B10R0.7 C=C[Si](C)(C)CC(=O)CCC 1458a_100000211992_100000038793 [0,2,0,0,0,0|1,1,0]=4 4658 B10R0.7 CCOC(=O)CC(C)(C)OC 7a_100000765344_200000210301 [0,2,0,0,0,0|1,0,1]=4 4659 B10R0.7 CCOC(=O)CC(C)(C)O[13CH3] 7a_100000765344_200025704644 [0,2,0,0,0,0|1,0,1]=4 4660 B10R0.26 C=C(C)C(=O)CC(=O)CCC 1458a_100000185857_100000747444 [0,2,0,0,0,0|1,0,1]=4 4661 B10R0.26 C=C(C)C(=O)CC(=O)NCC 1458a_100000185857_100000183381 [0,2,0,0,0,0|1,0,1]=4 4662 B10R0.26 C=C(C)C(=O)CC(=O)OCC 1458a_100000185857_100000188475 [0,2,0,0,0,0|0,0,1]=3 4663 B10R0.26 CCOC(=O)CC(C)C(=O)C 1458a_100000070787_100009817359 [0,2,0,0,0,0|0,0,1]=3 4664 B10R0.26 CCOC(=O)CC(C)N(C)C 2230a_100102631434_100009817359 [0,2,0,0,0,0|1,0,1]=4 4665 B10R0.26 CCOC(=O)CC(C)N(C)C 269982a_100102631434_100009817359 [0,2,0,0,0,0|1,0,1]=4 4666 B10R0.26 CCOC(=O)CN(C)C(=O)C 11a_100000220588_100015343762 [0,2,0,0,0,0|1,0,1]=4 4667 B10R0.26 CCOC(=O)CN(C)C(=O)C 1626a_100000220588_100015343762 [0,2,0,0,0,0|1,0,1]=4 4668 B10R0.26 CCOC(=O)CN(C)C(=O)C 240690a_100000220588_100015343762 [0,2,0,0,0,0|1,0,1]=4 4669 B10R0.26 CCOC(=O)CN(C)C(=O)C 527a_100000220588_100103153847 [0,2,0,0,0,0|1,0,1]=4 4670 B10R0.34 C=C[C@@H](CO)NC(=O)CCC 240690a_100016989147_100000211992 [0,2,0,0,0,0|2,0,0]=4 4671 B10R0.34 C=C[C@@H](CO)NC(=O)CCC 527a_100016989147_100000211992 [0,2,0,0,0,0|2,0,0]=4 4672 B10R0.34 C=C[C@@H](CO)NC(=O)NCC 2708a_100015525214_100016989147 [0,2,0,0,0,0|2,0,0]=4 4673 B10R0.34 C=C[C@@H](CO)NC(=O)NCC 273464a_100015525214_100016989147 [0,2,0,0,0,0|2,0,0]=4 4674 B10R0.34 C=C[C@@H](CO)NC(=O)NCC 273464a_100016989147_100015525214 [0,2,0,0,0,0|2,0,0]=4 4675 B10R0.34 C=C[C@@H](CO)NC(=O)NCC 512a_100015525214_100016989147 [0,2,0,0,0,0|2,0,0]=4 4676 B10R0.34 CCOC(=O)C[C@@H](CCl)OC 7a_100000688340_200000210301 [0,2,0,0,0,0|1,0,1]=4 4677 B10R0.34 CCOC(=O)C[C@@H](CCl)O[13CH3] 7a_100000688340_200025704644 [0,2,0,0,0,0|1,0,1]=4 4678 B10R0.33 CCCC(NC)C(=O)OCC 2230a_106832991635_100000695697 [0,2,0,0,0,0|0,0,2]=4 4679 B10R0.33 CCCC(NC)C(=O)OCC 34a_100102657272_100000695697 [0,2,0,0,0,0|0,0,2]=4 4680 B10R0.33 CCCC(NC)C(=O)OCC 7a_106832991635_100000695697 [0,2,0,0,0,0|0,0,2]=4 4681 B10R0.33 CCCC(OC)C(=O)OCC 34a_100138415774_100000695697 [0,2,0,0,0,0|0,0,2]=4 4682 B10R0.33 CCCC(OC)C(=O)OCC 34a_200011218214_200000210301 [0,2,0,0,0,0|0,0,2]=4 4683 B10R0.33 CCCC(OC)C(=O)OCC 7a_200011218214_200000210301 [0,2,0,0,0,0|0,0,2]=4 4684 B10R0.33 CCCC(O[13CH3])C(=O)OCC 34a_200011218214_200025704644 [0,2,0,0,0,0|0,0,2]=4 4685 B10R0.33 CCCC(O[13CH3])C(=O)OCC 7a_200011218214_200025704644 [0,2,0,0,0,0|0,0,2]=4 4686 B10R0.33 CCCC(SC)C(=O)OCC 62a_100000695697_200000210301 [0,2,0,0,0,0|0,0,2]=4 4687 B10R0.33 CCCC(SC)C(=O)OCC 62a_200000210301_100000695697 [0,2,0,0,0,0|0,0,2]=4 4688 B10R0.33 CCCC(S[13CH3])C(=O)OCC 62a_100000695697_200025704644 [0,2,0,0,0,0|0,0,2]=4 4689 B10R0.33 CCCC(S[13CH3])C(=O)OCC 62a_200025704644_100000695697 [0,2,0,0,0,0|0,0,2]=4 4690 B10R0.129 C=CCC(C)(C)C(=O)CCC 1458a_100000705796_100000210303 [0,2,0,0,0,0|1,0,0]=3 4691 B10R0.129 C=CCC(C)(C)C(=O)CCF 1458a_100000705796_100011217306 [0,2,0,0,0,0|2,0,0]=4 4692 B10R0.129 C=CCC(C)(C)C(=O)CCO 1458a_100000705796_100000211926 [0,2,0,0,0,0|2,0,0]=4 4693 B10R0.129 C=CCC(C)(C)C(=O)NCC 11a_100015525214_100000705796 [0,2,0,0,0,0|1,0,0]=3 4694 B10R0.129 C=CCC(C)(C)C(=O)NCC 240690a_100015525214_100000705796 [0,2,0,0,0,0|1,0,0]=3 4695 B10R0.129 C=CCC(C)(C)C(=O)NCC 527a_100015525214_100000705796 [0,2,0,0,0,0|1,0,0]=3 4696 B10R0.129 C=CCC(C)(C)C(=O)NNC 22a_100016993582_100000705796 [0,2,0,0,0,0|2,0,0]=4 4697 B10R0.129 C=CCC(F)(F)C(=O)CCC 1458a_100000062105_100000210303 [0,2,0,0,0,0|1,0,0]=3 4698 B10R0.129 C=CCC(F)(F)C(=O)CCF 1458a_100000062105_100011217306 [0,2,0,0,0,0|2,0,0]=4 4699 B10R0.129 C=CCC(F)(F)C(=O)CCO 1458a_100000062105_100000211926 [0,2,0,0,0,0|2,0,0]=4 4700 B10R0.129 C=CCC(F)(F)C(=O)NCC 11a_100015525214_100000062105 [0,2,0,0,0,0|1,0,0]=3 4701 B10R0.129 C=CCC(F)(F)C(=O)NCC 240690a_100015525214_100000062105 [0,2,0,0,0,0|1,0,0]=3 4702 B10R0.129 C=CCC(F)(F)C(=O)NCC 527a_100015525214_100000062105 [0,2,0,0,0,0|1,0,0]=3 4703 B10R0.129 C=CCC(F)(F)C(=O)NNC 22a_100016993582_100000062105 [0,2,0,0,0,0|2,0,0]=4 4704 B10R0.129 CCOC(=O)C(C)(C)CNC 2230a_106832991635_100011219049 [0,2,0,0,0,0|1,0,1]=4 4705 B10R0.129 CCOC(=O)C(C)(C)COC 7a_100011765865_200000210301 [0,2,0,0,0,0|1,0,1]=4 4706 B10R0.129 CCOC(=O)C(C)(C)CO[13CH3] 7a_100011765865_200025704644 [0,2,0,0,0,0|1,0,1]=4 4707 B10R0.129 CCOC(=O)C(C)(C)CSC 62a_100011219049_200000210301 [0,2,0,0,0,0|1,0,1]=4 4708 B10R0.129 CCOC(=O)C(C)(C)CSC 62a_200000210301_100011219049 [0,2,0,0,0,0|1,0,1]=4 4709 B10R0.129 CCOC(=O)C(C)(C)CS[13CH3] 62a_100011219049_200025704644 [0,2,0,0,0,0|1,0,1]=4 4710 B10R0.129 CCOC(=O)C(C)(C)CS[13CH3] 62a_200025704644_100011219049 [0,2,0,0,0,0|1,0,1]=4 4711 B10R0.129 CCOC(=O)C(F)(F)CNC 34a_100102657272_100009817193 [0,2,0,0,0,0|1,0,1]=4 4712 B10R0.129 CCOC(=O)C(F)(F)COC 34a_100138415774_100009817193 [0,2,0,0,0,0|1,0,1]=4 4713 B10R0.129 CCOC(=O)C(F)(F)CSC 62a_100009817193_200000210301 [0,2,0,0,0,0|1,0,1]=4 4714 B10R0.129 CCOC(=O)C(F)(F)CSC 62a_200000210301_100009817193 [0,2,0,0,0,0|1,0,1]=4 4715 B10R0.129 CCOC(=O)C(F)(F)CS[13CH3] 62a_100009817193_200025704644 [0,2,0,0,0,0|1,0,1]=4 4716 B10R0.129 CCOC(=O)C(F)(F)CS[13CH3] 62a_200025704644_100009817193 [0,2,0,0,0,0|1,0,1]=4 4717 B8R1.8 CCOc1ccsc1 34a_100000106738_100000210202 [1,0,0,1,0,0|1,0,1]=4 4718 B8R1.8 CCOc1ccsc1 7a_100000106738_100000210202 [1,0,0,1,0,0|1,0,1]=4 4719 B8R1.10 C=CCCN1CCC1 269982a_100000754969_100000754431 [1,0,0,1,0,0|2,0,0]=4 4720 B8R1.13 CCOC1CCC1=O 34a_100121572206_100009892977 [1,0,0,1,0,0|1,0,1]=4 4721 B8R1.36 C=CCCNC1CC1 34a_100000212008_100000754431 [1,0,0,1,0,0|2,0,0]=4 4722 B8R1.36 C=CCCOC1CC1 34a_100011205117_100000211595 [1,0,0,1,0,0|2,0,0]=4 4723 B8R1.36 C=CCCSC1CC1 62a_100000754431_100000211595 [1,0,0,1,0,0|2,0,0]=4 4724 B8R1.1 COC1CCC(=O)C1 34a_100012614533_200000210301 [1,0,0,1,0,0|1,0,1]=4 4725 B8R1.1 [13CH3]OC1CCC(=O)C1 34a_100012614533_200025704644 [1,0,0,1,0,0|1,0,1]=4 4726 B8R1.3 C=C1CCN(CC1)C 2230a_100000752442_200000210301 [1,0,0,1,0,0|2,0,0]=4 4727 B8R1.3 C=C1CCN(CC1)C 269982a_100000752442_200000210301 [1,0,0,1,0,0|2,0,0]=4 4728 B8R1.3 C=C1CCN(CC1)C 34a_100000752442_200000210301 [1,0,0,1,0,0|2,0,0]=4 4729 B8R1.3 C=C1CCN(CC1)[13CH3] 2230a_100000752442_200025704644 [1,0,0,1,0,0|2,0,0]=4 4730 B8R1.3 C=C1CCN(CC1)[13CH3] 269982a_100000752442_200025704644 [1,0,0,1,0,0|2,0,0]=4 4731 B8R1.3 C=C1CCN(CC1)[13CH3] 34a_100000752442_200025704644 [1,0,0,1,0,0|2,0,0]=4 4732 B8R1.38 CCC(=O)C1CCC1 1458a_100000209988_100000210202 [1,0,0,1,0,0|0,0,2]=4 4733 B8R1.38 CCC(=O)C1CCC1 1458a_100000210414_100000749161 [1,0,0,1,0,0|0,0,2]=4 4734 B8R1.38 CCC(=O)C1CCO1 1458a_100000089072_100000210202 [1,0,0,1,0,0|1,0,1]=4 4735 B8R1.38 CCC(=O)C1COC1 1458a_100000210414_100000687716 [1,0,0,1,0,0|1,0,1]=4 4736 B8R1.38 CCC(=O)C1COC1 1458a_100000758290_100000210202 [1,0,0,1,0,0|1,0,1]=4 4737 B8R1.40 CCC(=O)CC1CC1 1458a_100000210414_100000742324 [1,0,0,1,0,0|0,0,2]=4 4738 B8R1.40 CCC(=O)CC1CC1 1458a_100000738066_100000210202 [1,0,0,1,0,0|0,0,2]=4 4739 B8R1.40 CCC(=O)CC1CO1 1458a_100000210414_100011216344 [1,0,0,1,0,0|1,0,1]=4 4740 B8R1.40 CCC(=O)CC1CS1 1458a_100000210414_100000031435 [1,0,0,1,0,0|1,0,1]=4 4741 B8R1.40 CCC(=O)C[C@@H]1CO1 1458a_100000210414_100000745022 [1,0,0,1,0,0|1,0,1]=4 4742 B8R1.83 CCC(=O)C1CC1C 1458a_100000211227_100000210202 [1,0,0,1,0,0|0,0,2]=4 4743 B8R1.83 CCC(=O)[C@@H]1C[C@@H]1F 1458a_100015396687_100000210202 [1,0,0,1,0,0|1,0,1]=4 4744 B8R1.83 COC(=O)C1CN1C 2230a_200009830135_200000210301 [1,0,0,1,0,0|1,0,1]=4 4745 B8R1.83 COC(=O)C1CN1[13CH3] 2230a_200009830135_200025704644 [1,0,0,1,0,0|1,0,1]=4 4746 B8R1.4 CN1CCOC(=O)C1 2230a_100000131268_200000210301 [1,0,0,1,0,0|1,0,1]=4 4747 B8R1.4 [13CH3]N1CCOC(=O)C1 2230a_100000131268_200025704644 [1,0,0,1,0,0|1,0,1]=4 4748 B8R1.37 C=CCC(=O)C1CC1 1458a_100000210395_100000210623 [1,0,0,1,0,0|1,0,0]=3 4749 B8R1.37 C=CCC(=O)C1CO1 1458a_100000701028_100000210623 [1,0,0,1,0,0|2,0,0]=4 4750 B8R1.37 CCCC(=O)C1CC1 1458a_100000210395_100000210303 [1,0,0,1,0,0|1,0,1]=4 4751 B8R1.37 CCCC(=O)C1CO1 1458a_100000701028_100000210303 [1,0,0,1,0,0|2,0,0]=4 4752 B8R1.37 CCNC(=O)C1CC1 11a_100015525214_100000210395 [1,0,0,1,0,0|1,0,1]=4 4753 B8R1.37 CCNC(=O)C1CC1 240690a_100015525214_100000210395 [1,0,0,1,0,0|1,0,1]=4 4754 B8R1.37 CCNC(=O)C1CC1 527a_100015525214_100000210395 [1,0,0,1,0,0|1,0,1]=4 4755 B8R1.37 CCNC(=O)C1CO1 11a_100015525214_100000701028 [1,0,0,1,0,0|2,0,0]=4 4756 B8R1.37 CCNC(=O)C1CO1 240690a_100015525214_100000701028 [1,0,0,1,0,0|2,0,0]=4 4757 B8R1.37 CCNC(=O)C1CO1 527a_100015525214_100000701028 [1,0,0,1,0,0|2,0,0]=4 4758 B8R1.37 O=C(CCF)C1CC1 1458a_100000210395_100011217306 [1,0,0,1,0,0|2,0,0]=4 4759 B8R1.37 O=C(CCO)C1CC1 1458a_100000210395_100000211926 [1,0,0,1,0,0|2,0,0]=4 4760 B10R1.16 C=CCCc1nc(no1)C 270196a_100000212224_100000749702 [0,1,0,1,0,0|1,0,1]=4 4761 B10R1.16 C=CCCc1noc(n1)C 270196a_100011215924_100000070787 [0,1,0,1,0,0|1,0,1]=4 4762 B10R1.18 CC(C)OC1CC=CCC1 34a_100000073881_100000210206 [0,1,0,1,0,0|1,0,1]=4 4763 B10R1.180 C=CCCC(=O)CC1CC1 1458a_100000738066_100000754431 [0,1,0,1,0,0|1,0,0]=3 4764 B10R1.180 C=CCCC(=O)CC1CC1 1458a_100000749702_100000742324 [0,1,0,1,0,0|1,0,0]=3 4765 B10R1.180 C=CCCC(=O)CC1CO1 1458a_100000749702_100011216344 [0,1,0,1,0,0|1,0,0]=3 4766 B10R1.180 C=CCCC(=O)CC1CS1 1458a_100000749702_100000031435 [0,1,0,1,0,0|1,0,0]=3 4767 B10R1.180 C=CCCC(=O)C[C@@H]1CO1 1458a_100000749702_100000745022 [0,1,0,1,0,0|1,0,0]=3 4768 B10R1.180 C=CCCC(=O)NC1CC1 1626a_100000212008_100000749702 [0,1,0,1,0,0|1,0,0]=3 4769 B10R1.180 C=CCCC(=O)NC1CC1 240690a_100000212008_100000749702 [0,1,0,1,0,0|1,0,0]=3 4770 B10R1.180 C=CCCC(=O)NC1CC1 527a_100000212008_100000749702 [0,1,0,1,0,0|1,0,0]=3 4771 B10R1.180 C=CCCC(C)OC1CC1 34a_100000765329_100000211595 [0,1,0,1,0,0|1,0,1]=4 4772 B10R1.180 C=CCNC(=O)CC1CC1 1626a_100020586998_100000738066 [0,1,0,1,0,0|2,0,0]=4 4773 B10R1.180 C=CCNC(=O)CC1CC1 240690a_100020586998_100000738066 [0,1,0,1,0,0|2,0,0]=4 4774 B10R1.180 C=CCNC(=O)CC1CC1 527a_100020586998_100000738066 [0,1,0,1,0,0|2,0,0]=4 4775 B10R1.180 C=CCNC(=O)NC1CC1 2708a_100000212008_100020586998 [0,1,0,1,0,0|2,0,0]=4 4776 B10R1.180 C=CCNC(=O)NC1CC1 273464a_100000212008_100020586998 [0,1,0,1,0,0|2,0,0]=4 4777 B10R1.180 C=CCNC(=O)NC1CC1 273464a_100020586998_100000212008 [0,1,0,1,0,0|2,0,0]=4 4778 B10R1.180 C=CCNC(=O)NC1CC1 512a_100000212008_100020586998 [0,1,0,1,0,0|2,0,0]=4 4779 B10R1.180 CCOCC(=O)CC1CC1 1458a_100000211967_100000742324 [0,1,0,1,0,0|0,0,2]=4 4780 B10R1.180 CCOCC(=O)CC1CO1 1458a_100000211967_100011216344 [0,1,0,1,0,0|1,0,1]=4 4781 B10R1.180 CCOCC(=O)CC1CS1 1458a_100000211967_100000031435 [0,1,0,1,0,0|1,0,1]=4 4782 B10R1.180 CCOCC(=O)C[C@@H]1CO1 1458a_100000211967_100000745022 [0,1,0,1,0,0|1,0,1]=4 4783 B10R1.293 C=CCCC(=O)C1CC1C 1458a_100000211227_100000754431 [0,1,0,1,0,0|1,0,0]=3 4784 B10R1.293 C=CCCC(=O)[C@@H]1C[C@@H]1F 1458a_100015396687_100000754431 [0,1,0,1,0,0|1,0,0]=3 4785 B10R1.293 C=CCNC(=O)C1CC1C 1626a_100020586998_100000211227 [0,1,0,1,0,0|2,0,0]=4 4786 B10R1.293 C=CCNC(=O)C1CC1C 527a_100020586998_100000211227 [0,1,0,1,0,0|2,0,0]=4 4787 B10R1.293 C=CCNC(=O)[C@@H]1C[C@@H]1F 240690a_100020586998_100015396687 [0,1,0,1,0,0|2,0,0]=4 4788 B10R1.293 C=CCNC(=O)[C@@H]1C[C@@H]1F 527a_100020586998_100015396687 [0,1,0,1,0,0|2,0,0]=4 4789 B10R1.10 C#CCN1CCOC(=O)C1 2230a_100000131268_100000038162 [0,1,0,1,0,0|0,0,2]=4 4790 B10R1.10 C=CCN1CCC=C(C1)C 2230a_100000725631_100000210623 [0,1,0,1,0,0|2,0,0]=4 4791 B10R1.10 C=CCN1CCC=C(C1)C 269982a_100000725631_100000210623 [0,1,0,1,0,0|2,0,0]=4 4792 B10R1.10 C=CCN1CCC=C(C1)C 34a_100000725631_100015514636 [0,1,0,1,0,0|2,0,0]=4 4793 B10R1.10 C=CCN1CCNC(=O)C1 2230a_100000184651_100000210623 [0,1,0,1,0,0|1,0,0]=3 4794 B10R1.10 C=CCN1CCOC(=O)C1 2230a_100000131268_100000210623 [0,1,0,1,0,0|0,0,0]=2 4795 B10R1.10 C=CCN1CCOC(C1)C 2230a_100000729577_100000210623 [0,1,0,1,0,0|1,0,1]=4 4796 B10R1.10 C=CCN1CCOC(C1)C 269982a_100000729577_100000210623 [0,1,0,1,0,0|1,0,1]=4 4797 B10R1.10 C=CCN1CCOC(C1)C 34a_100000729577_100015514636 [0,1,0,1,0,0|1,0,1]=4 4798 B10R1.10 C=CCN1CCOC(C1)O 2230a_100000688207_100000210623 [0,1,0,1,0,0|0,0,2]=4 4799 B10R1.10 C=CCN1CCOC(C1)O 269982a_100000688207_100000210623 [0,1,0,1,0,0|0,0,2]=4 4800 B10R1.10 CCCN1CCOC(=O)C1 2230a_100000131268_100000210303 [0,1,0,1,0,0|0,0,2]=4 4801 B10R1.10 COCN1CCOC(=O)C1 2230a_100000131268_100000766300 [0,1,0,1,0,0|1,0,1]=4 4802 B10R1.10 CSCN1CCOC(=O)C1 2230a_100000131268_100011218213 [0,1,0,1,0,0|1,0,1]=4 4803 B10R1.10 N#CCN1CCOC(=O)C1 2230a_100000131268_100011215382 [0,1,0,1,0,0|1,0,1]=4 4804 B10R1.10 O=C1CN(CCO1)CCF 2230a_100000131268_100011217306 [0,1,0,1,0,0|1,0,1]=4 4805 B10R1.10 O=C1CN(CCO1)CCO 2230a_100000131268_100000211926 [0,1,0,1,0,0|1,0,1]=4 4806 B10R1.10 O=CCN1CCNC(=O)C1 2230a_100000184651_200015260668 [0,1,0,1,0,0|2,0,0]=4 4807 B10R1.10 O=CCN1CCOC(=O)C1 2230a_100000131268_200015260668 [0,1,0,1,0,0|1,0,0]=3 4808 B10R1.11 CCCC(=O)C1=CCCC1 1458a_100000038896_100000210303 [0,1,0,1,0,0|1,0,1]=4 4809 B10R1.11 CCCC(=O)C1=COCC1 1458a_100000750620_100000210303 [0,1,0,1,0,0|2,0,0]=4 4810 B10R1.11 CCCC(=O)C1CC=CC1 1458a_100000759439_100000210303 [0,1,0,1,0,0|1,0,0]=3 4811 B10R1.11 CCCC(=O)N1CC=CC1 1626a_100015195280_100000211992 [0,1,0,1,0,0|2,0,0]=4 4812 B10R1.11 CCCC(=O)N1CC=CC1 240690a_100015195280_100000211992 [0,1,0,1,0,0|2,0,0]=4 4813 B10R1.11 CCNC(=O)C1=CCCC1 11a_100015525214_100000038896 [0,1,0,1,0,0|1,0,1]=4 4814 B10R1.11 CCNC(=O)C1=CCCC1 240690a_100015525214_100000038896 [0,1,0,1,0,0|1,0,1]=4 4815 B10R1.11 CCNC(=O)C1=COCC1 240690a_100015525214_100000750620 [0,1,0,1,0,0|2,0,0]=4 4816 B10R1.11 CCNC(=O)C1CC=CC1 11a_100015525214_100000759439 [0,1,0,1,0,0|1,0,0]=3 4817 B10R1.11 CCNC(=O)C1CC=CC1 240690a_100015525214_100000759439 [0,1,0,1,0,0|1,0,0]=3 4818 B10R1.11 CCNC(=O)C1CC=CC1 527a_100015525214_100000759439 [0,1,0,1,0,0|1,0,0]=3 4819 B10R1.11 CCNC(=O)N1CC=CC1 2708a_100015525214_100015195280 [0,1,0,1,0,0|2,0,0]=4 4820 B10R1.11 CCNC(=O)N1CC=CC1 273464a_100015525214_100015195280 [0,1,0,1,0,0|2,0,0]=4 4821 B10R1.11 CNNC(=O)C1CC=CC1 22a_100016993582_100000759439 [0,1,0,1,0,0|2,0,0]=4 4822 B10R1.11 O=C(CCF)C1CC=CC1 1458a_100000759439_100011217306 [0,1,0,1,0,0|2,0,0]=4 4823 B10R1.11 O=C(CCO)C1CC=CC1 1458a_100000759439_100000211926 [0,1,0,1,0,0|2,0,0]=4 4824 B10R1.21 C=CCCOC1CCCO1 34a_100000085407_100000754431 [0,1,0,1,0,0|1,0,1]=4 4825 B10R1.21 C=CCNCC1CCCO1 2230a_100020586998_100000203698 [0,1,0,1,0,0|1,0,1]=4 4826 B10R1.21 C=CCNCC1OCCO1 2230a_100000036311_100000210623 [0,1,0,1,0,0|0,0,2]=4 4827 B10R1.21 C=CCNCC1OCCO1 2230a_100020586998_100000755774 [0,1,0,1,0,0|0,0,2]=4 4828 B10R1.21 C=CCNCC1OCCO1 34a_100000036311_100015514636 [0,1,0,1,0,0|0,0,2]=4 4829 B10R1.21 C=CCNC[C@@H]1CCCO1 2230a_100020590478_100000210623 [0,1,0,1,0,0|1,0,1]=4 4830 B10R1.21 C=CCNC[C@@H]1CCCO1 34a_100020590478_100015514636 [0,1,0,1,0,0|1,0,1]=4 4831 B10R1.21 C=CCOCC1=NCCN1 34a_200000210373_100000737910 [0,1,0,1,0,0|2,0,0]=4 4832 B10R1.21 C=CCOCC1CCCO1 34a_100000210270_100015514636 [0,1,0,1,0,0|1,0,1]=4 4833 B10R1.21 C=CCOCC1CCCO1 7a_100000210270_100015514636 [0,1,0,1,0,0|1,0,1]=4 4834 B10R1.21 C=CCOCC1OCCO1 34a_100000087154_100015514636 [0,1,0,1,0,0|0,0,2]=4 4835 B10R1.21 C=CCOCC1OCCO1 34a_200000210373_100000755774 [0,1,0,1,0,0|0,0,2]=4 4836 B10R1.21 C=CCSCC1=NCCN1 62a_100000210623_100000737910 [0,1,0,1,0,0|2,0,0]=4 4837 B10R1.21 C=CCSCC1=NCCN1 62a_100000737910_100000210623 [0,1,0,1,0,0|2,0,0]=4 4838 B10R1.21 C=CCSCC1CCCO1 62a_100000203698_100000210623 [0,1,0,1,0,0|1,0,1]=4 4839 B10R1.21 C=CCSCC1CCCO1 62a_100000210623_100000203698 [0,1,0,1,0,0|1,0,1]=4 4840 B10R1.21 C=CCSCC1OCCO1 62a_100000210623_100000755774 [0,1,0,1,0,0|0,0,2]=4 4841 B10R1.21 C=CCSCC1OCCO1 62a_100000755774_100000210623 [0,1,0,1,0,0|0,0,2]=4 4842 B10R1.29 C#CCNC1CCOC1=O 34a_100000212058_100000211211 [0,1,0,1,0,0|0,0,2]=4 4843 B10R1.29 C#CCOC1CCOC1=O 34a_100000210247_100000211211 [0,1,0,1,0,0|0,0,2]=4 4844 B10R1.29 C#CCSC1CCOC1=O 62a_100000038162_100000211211 [0,1,0,1,0,0|0,0,2]=4 4845 B10R1.29 C=CCNC1CCCC1=O 2230a_100020586998_100000211823 [0,1,0,1,0,0|1,0,0]=3 4846 B10R1.29 C=CCNC1CCNC1=O 2230a_100016995588_100000210623 [0,1,0,1,0,0|1,0,0]=3 4847 B10R1.29 C=CCNC1CCNC1=O 34a_100016995588_100015514636 [0,1,0,1,0,0|1,0,0]=3 4848 B10R1.29 C=CCNC1CCOC1=O 2230a_100020586998_100000211211 [0,1,0,1,0,0|0,0,0]=2 4849 B10R1.29 C=CCNC1CCOC1C 270004a_100020586998_100000691750 [0,1,0,1,0,0|1,0,1]=4 4850 B10R1.29 C=CCN[C@@H]1CONC1=O 2230a_100000765999_100000210623 [0,1,0,1,0,0|2,0,0]=4 4851 B10R1.29 C=CCN[C@@H]1CONC1=O 34a_100000765999_100015514636 [0,1,0,1,0,0|2,0,0]=4 4852 B10R1.29 C=CCOC1CCCC1=O 34a_200000210373_100000709159 [0,1,0,1,0,0|1,0,0]=3 4853 B10R1.29 C=CCOC1CCCC1=O 34a_200000719330_100015514636 [0,1,0,1,0,0|1,0,0]=3 4854 B10R1.29 C=CCOC1CCOC1=O 34a_200000210373_100000211211 [0,1,0,1,0,0|0,0,0]=2 4855 B10R1.29 C=CCO[C@H]1CCNC1=O 34a_100000688343_100015514636 [0,1,0,1,0,0|1,0,0]=3 4856 B10R1.29 C=CCSC1CCCC1=O 62a_100000210623_100000211823 [0,1,0,1,0,0|1,0,0]=3 4857 B10R1.29 C=CCSC1CCCC1=O 62a_100000211823_100000210623 [0,1,0,1,0,0|1,0,0]=3 4858 B10R1.29 C=CCSC1CCOC1=O 62a_100000210623_100000211211 [0,1,0,1,0,0|0,0,0]=2 4859 B10R1.29 C=CCSC1CCOC1=O 62a_100000211211_100000210623 [0,1,0,1,0,0|0,0,0]=2 4860 B10R1.29 CCCOC1CCOC1=O 34a_100000210258_100000211211 [0,1,0,1,0,0|0,0,2]=4 4861 B10R1.29 CCCSC1CCOC1=O 62a_100000210303_100000211211 [0,1,0,1,0,0|0,0,2]=4 4862 B10R1.29 CCCSC1CCOC1=O 62a_100000211211_100000210303 [0,1,0,1,0,0|0,0,2]=4 4863 B10R1.29 COCSC1CCOC1=O 62a_100000211211_100000766300 [0,1,0,1,0,0|1,0,1]=4 4864 B10R1.29 COCSC1CCOC1=O 62a_100000766300_100000211211 [0,1,0,1,0,0|1,0,1]=4 4865 B10R1.29 CSCSC1CCOC1=O 62a_100000211211_100011218213 [0,1,0,1,0,0|1,0,1]=4 4866 B10R1.29 CSCSC1CCOC1=O 62a_100011218213_100000211211 [0,1,0,1,0,0|1,0,1]=4 4867 B10R1.29 N#CCSC1CCOC1=O 62a_100000211211_100011215382 [0,1,0,1,0,0|1,0,1]=4 4868 B10R1.29 N#CCSC1CCOC1=O 62a_100011215382_100000211211 [0,1,0,1,0,0|1,0,1]=4 4869 B10R1.29 NCCOC1CCOC1=O 34a_100000210304_100000211211 [0,1,0,1,0,0|1,0,1]=4 4870 B10R1.29 O=C1OCCC1NCCF 34a_100000724931_100000211211 [0,1,0,1,0,0|1,0,1]=4 4871 B10R1.29 O=C1OCCC1NCCO 2230a_100016997473_100000211211 [0,1,0,1,0,0|1,0,1]=4 4872 B10R1.29 O=C1OCCC1NCCO 34a_100016990907_100000211211 [0,1,0,1,0,0|1,0,1]=4 4873 B10R1.29 O=C1OCCC1OCCBr 34a_100000211926_100000211211 [0,1,0,1,0,0|1,0,1]=4 4874 B10R1.29 O=C1OCCC1SCCF 62a_100000211211_100011217306 [0,1,0,1,0,0|1,0,1]=4 4875 B10R1.29 O=C1OCCC1SCCF 62a_100011217306_100000211211 [0,1,0,1,0,0|1,0,1]=4 4876 B10R1.29 O=C1OCCC1SCCO 62a_100000211211_100000211926 [0,1,0,1,0,0|1,0,1]=4 4877 B10R1.29 O=C1OCCC1SCCO 62a_100000211926_100000211211 [0,1,0,1,0,0|1,0,1]=4 4878 B10R1.29 O=CCNC1CCNC1=O 2230a_100016995588_200015260668 [0,1,0,1,0,0|2,0,0]=4 4879 B10R1.29 O=CCNC1CCNC1=O 34a_100016995588_200009817547 [0,1,0,1,0,0|2,0,0]=4 4880 B10R1.29 O=CCOC1CCCC1=O 34a_200000719330_200009817547 [0,1,0,1,0,0|2,0,0]=4 4881 B10R1.29 O=CCO[C@H]1CCNC1=O 34a_100000688343_200009817547 [0,1,0,1,0,0|2,0,0]=4 4882 B10R1.29 O=CCSC1CCCC1=O 62a_100000211823_200015260668 [0,1,0,1,0,0|2,0,0]=4 4883 B10R1.29 O=CCSC1CCCC1=O 62a_200015260668_100000211823 [0,1,0,1,0,0|2,0,0]=4 4884 B10R1.29 O=CCSC1CCOC1=O 62a_100000211211_200015260668 [0,1,0,1,0,0|1,0,0]=3 4885 B10R1.29 O=CCSC1CCOC1=O 62a_200015260668_100000211211 [0,1,0,1,0,0|1,0,0]=3 4886 B10R1.92 C=CCN1CC(C1)OCC 269982a_100000732654_100000210623 [0,1,0,1,0,0|1,0,1]=4 4887 B10R1.92 C=CCN1CC(C1)OCC 34a_100000732654_100015514636 [0,1,0,1,0,0|1,0,1]=4 4888 B10R1.137 CCOC(=O)CN1CCC1 269982a_100000754969_100000188475 [0,1,0,1,0,0|0,0,2]=4 4889 B10R1.138 CCOC(=O)CNC1CC1 34a_100000212008_100000188475 [0,1,0,1,0,0|0,0,2]=4 4890 B10R1.138 CCOC(=O)CSC1CC1 62a_100000188475_100000211595 [0,1,0,1,0,0|0,0,2]=4 4891 B10R1.139 CCCC(=O)C1CCC1=O 1458a_100000211992_100009892977 [0,1,0,1,0,0|1,0,1]=4 4892 B10R1.186 C=CCCCC(=O)C1CC1 1458a_100000210395_100000757094 [0,1,0,1,0,0|1,0,0]=3 4893 B10R1.186 C=CCCCC(=O)C1CO1 1458a_100000701028_100000757094 [0,1,0,1,0,0|2,0,0]=4 4894 B10R1.186 C=CCCNC(=O)C1CC1 11a_100015191253_100000210395 [0,1,0,1,0,0|1,0,0]=3 4895 B10R1.186 C=CCCNC(=O)C1CC1 1626a_100015191253_100000210395 [0,1,0,1,0,0|1,0,0]=3 4896 B10R1.186 C=CCCNC(=O)C1CC1 240690a_100015191253_100000210395 [0,1,0,1,0,0|1,0,0]=3 4897 B10R1.186 C=CCCNC(=O)C1CC1 527a_100015191253_100000210395 [0,1,0,1,0,0|1,0,0]=3 4898 B10R1.186 C=CCCNC(=O)C1CO1 11a_100015191253_100000701028 [0,1,0,1,0,0|2,0,0]=4 4899 B10R1.186 C=CCCNC(=O)C1CO1 1626a_100015191253_100000701028 [0,1,0,1,0,0|2,0,0]=4 4900 B10R1.186 C=CCCNC(=O)C1CO1 240690a_100015191253_100000701028 [0,1,0,1,0,0|2,0,0]=4 4901 B10R1.186 C=CCCNC(=O)C1CO1 527a_100015191253_100000701028 [0,1,0,1,0,0|2,0,0]=4 4902 B10R1.186 C=CCNCC(=O)C1CC1 2230a_100020586998_100000746382 [0,1,0,1,0,0|1,0,0]=3 4903 B10R1.186 C=CCNNC(=O)C1CC1 22a_100020588587_100000210395 [0,1,0,1,0,0|2,0,0]=4 4904 B10R1.186 C=CCOCC(=O)C1CC1 34a_100000686663_100015514636 [0,1,0,1,0,0|1,0,0]=3 4905 B10R1.186 C=CCOCC(=O)C1CC1 34a_200000210373_100000746382 [0,1,0,1,0,0|1,0,0]=3 4906 B10R1.186 C=CCSCC(=O)C1CC1 62a_100000210623_100000746382 [0,1,0,1,0,0|1,0,0]=3 4907 B10R1.186 C=CCSCC(=O)C1CC1 62a_100000746382_100000210623 [0,1,0,1,0,0|1,0,0]=3 4908 B10R1.186 C=COCCC(=O)C1CC1 1458a_100000210395_100000039644 [0,1,0,1,0,0|1,0,0]=3 4909 B10R1.186 C=COCCC(=O)C1CO1 1458a_100000701028_100000039644 [0,1,0,1,0,0|2,0,0]=4 4910 B10R1.186 O=CCOCC(=O)C1CC1 34a_100000686663_200009817547 [0,1,0,1,0,0|2,0,0]=4 4911 B10R1.186 O=CCSCC(=O)C1CC1 62a_100000746382_200015260668 [0,1,0,1,0,0|2,0,0]=4 4912 B10R1.186 O=CCSCC(=O)C1CC1 62a_200015260668_100000746382 [0,1,0,1,0,0|2,0,0]=4 4913 B10R1.178 C#CCCC(=O)C1CCO1 1458a_100000089072_100000753159 [0,1,0,1,0,0|0,0,2]=4 4914 B10R1.178 C/C=C/CC(=O)C1CCO1 1458a_100000089072_100102629194 [0,1,0,1,0,0|0,0,2]=4 4915 B10R1.178 C=CCCC(=O)C1CCC1 1458a_100000209988_100000754431 [0,1,0,1,0,0|1,0,0]=3 4916 B10R1.178 C=CCCC(=O)C1CCC1 1458a_100000749702_100000749161 [0,1,0,1,0,0|1,0,0]=3 4917 B10R1.178 C=CCCC(=O)C1CCO1 1458a_100000089072_100000754431 [0,1,0,1,0,0|0,0,0]=2 4918 B10R1.178 C=CCCC(=O)C1COC1 1458a_100000749702_100000687716 [0,1,0,1,0,0|1,0,0]=3 4919 B10R1.178 C=CCCC(=O)C1COC1 1458a_100000758290_100000754431 [0,1,0,1,0,0|1,0,0]=3 4920 B10R1.178 C=CCCC(=O)N1CCC1 11a_100000754969_100000749702 [0,1,0,1,0,0|1,0,0]=3 4921 B10R1.178 C=CCCC(=O)N1CCC1 240690a_100000754969_100000749702 [0,1,0,1,0,0|1,0,0]=3 4922 B10R1.178 C=CCCC(=O)N1CCC1 527a_100000754969_100000749702 [0,1,0,1,0,0|1,0,0]=3 4923 B10R1.178 C=CCNC(=O)C1CCC1 1626a_100020586998_100000209988 [0,1,0,1,0,0|2,0,0]=4 4924 B10R1.178 C=CCNC(=O)C1CCC1 240690a_100020586998_100000209988 [0,1,0,1,0,0|2,0,0]=4 4925 B10R1.178 C=CCNC(=O)C1CCC1 527a_100020586998_100000209988 [0,1,0,1,0,0|2,0,0]=4 4926 B10R1.178 C=CCNC(=O)C1CCO1 1626a_100020586998_100000089072 [0,1,0,1,0,0|1,0,0]=3 4927 B10R1.178 C=CCNC(=O)C1CCO1 240690a_100020586998_100000089072 [0,1,0,1,0,0|1,0,0]=3 4928 B10R1.178 C=CCNC(=O)C1CCO1 527a_100020586998_100000089072 [0,1,0,1,0,0|1,0,0]=3 4929 B10R1.178 C=CCNC(=O)C1COC1 1626a_100020586998_100000758290 [0,1,0,1,0,0|2,0,0]=4 4930 B10R1.178 C=CCNC(=O)C1COC1 240690a_100020586998_100000758290 [0,1,0,1,0,0|2,0,0]=4 4931 B10R1.178 C=CCNC(=O)C1COC1 527a_100020586998_100000758290 [0,1,0,1,0,0|2,0,0]=4 4932 B10R1.178 C=CCNC(=O)N1CCC1 273464a_100020586998_100000754969 [0,1,0,1,0,0|2,0,0]=4 4933 B10R1.178 CC=CCC(=O)C1CCO1 1458a_100000089072_100000070051 [0,1,0,1,0,0|0,0,2]=4 4934 B10R1.178 CCCCC(=O)C1CCO1 1458a_100000089072_100000210211 [0,1,0,1,0,0|0,0,2]=4 4935 B10R1.178 CCOCC(=O)C1CCC1 1458a_100000211967_100000749161 [0,1,0,1,0,0|0,0,2]=4 4936 B10R1.178 CCOCC(=O)C1CCC1 34a_100121572206_100000686122 [0,1,0,1,0,0|0,0,2]=4 4937 B10R1.178 CCOCC(=O)C1COC1 1458a_100000211967_100000687716 [0,1,0,1,0,0|1,0,1]=4 4938 B10R1.178 COCCC(=O)C1CCO1 1458a_100000089072_100000233755 [0,1,0,1,0,0|1,0,1]=4 4939 B10R1.178 CSCCC(=O)C1CCO1 1458a_100000089072_100000751147 [0,1,0,1,0,0|1,0,1]=4 4940 B10R1.178 N#CCCC(=O)C1CCO1 1458a_100000089072_100011215226 [0,1,0,1,0,0|1,0,1]=4 4941 B10R1.178 O=C(CCCF)C1CCO1 1458a_100000089072_100011934791 [0,1,0,1,0,0|1,0,1]=4 4942 B10R1.178 O=C(CCCO)C1CCO1 1458a_100000089072_100011215043 [0,1,0,1,0,0|1,0,1]=4 4943 B10R1.179 C=CCCC(=O)C1(CC1)C 1458a_100000756474_100000754431 [0,1,0,1,0,0|1,0,0]=3 4944 B10R1.179 C=CCCC(=O)C1(CC1)F 1458a_100000055089_100000754431 [0,1,0,1,0,0|1,0,0]=3 4945 B10R1.179 C=CCCC(=O)C1(CC1)O 1458a_100000241761_100000754431 [0,1,0,1,0,0|1,0,0]=3 4946 B10R1.179 C=CCNC(=O)C1(CC1)C 1626a_100020586998_100000756474 [0,1,0,1,0,0|2,0,0]=4 4947 B10R1.179 C=CCNC(=O)C1(CC1)C 240690a_100020586998_100000756474 [0,1,0,1,0,0|2,0,0]=4 4948 B10R1.179 C=CCNC(=O)C1(CC1)C 527a_100020586998_100000756474 [0,1,0,1,0,0|2,0,0]=4 4949 B10R1.179 C=CCNC(=O)C1(CC1)F 1626a_100020586998_100000055089 [0,1,0,1,0,0|2,0,0]=4 4950 B10R1.179 C=CCNC(=O)C1(CC1)F 240690a_100020586998_100000055089 [0,1,0,1,0,0|2,0,0]=4 4951 B10R1.179 C=CCNC(=O)C1(CC1)F 527a_100020586998_100000055089 [0,1,0,1,0,0|2,0,0]=4 4952 B10R1.179 C=CCNC(=O)C1(CC1)O 240690a_100020586998_100000241761 [0,1,0,1,0,0|2,0,0]=4 4953 B10R1.4 CCOC1CCCCC1=O 34a_100011214950_100000210202 [0,1,0,1,0,0|0,0,2]=4 4954 B10R1.4 CCOC1CCCCC1=O 34a_100121572206_100000754470 [0,1,0,1,0,0|0,0,2]=4 4955 B10R1.4 CCOC1COCCC1=O 34a_100121572206_100012180262 [0,1,0,1,0,0|1,0,1]=4 4956 B10R1.4 CCOc1cccoc1=O 34a_100000077404_100000210202 [0,1,0,1,0,0|1,0,1]=4 4957 B10R1.4 CCOc1cccoc1=O 7a_100000077404_100000210202 [0,1,0,1,0,0|1,0,1]=4 4958 B10R1.4 CCOc1coccc1=O 34a_100000060831_100000210202 [0,1,0,1,0,0|1,0,1]=4 4959 B10R1.17 C=CCCN1CCCOC1 2230a_100000131196_100000754431 [0,1,0,1,0,0|2,0,0]=4 4960 B10R1.17 C=CCCN1CCCOC1 269982a_100000131196_100000754431 [0,1,0,1,0,0|2,0,0]=4 4961 B10R1.17 C=CCCN1CCCOC1 34a_100000131196_100000754431 [0,1,0,1,0,0|2,0,0]=4 4962 B10R1.17 CCCOC1CC=CCC1 34a_100000073881_100000210303 [0,1,0,1,0,0|1,0,1]=4 4963 B10R1.17 CCOCC1CC=CCC1 34a_100000210713_100000210202 [0,1,0,1,0,0|1,0,1]=4 4964 B10R1.17 CCOCC1CCC=CO1 34a_100011217868_100000210202 [0,1,0,1,0,0|0,0,2]=4 4965 B10R1.17 CCOCN1CC=CCC1 269982a_100000698166_100000739092 [0,1,0,1,0,0|2,0,0]=4 4966 B10R1.17 CSCOC1CC=CCC1 34a_100000073881_100011218213 [0,1,0,1,0,0|1,0,1]=4 4967 B10R1.17 FCCOC1CC=CCC1 34a_100000073881_100011217306 [0,1,0,1,0,0|1,0,1]=4 4968 B10R1.17 OCCOC1CC=CCC1 34a_100000073881_100000211926 [0,1,0,1,0,0|1,0,1]=4 4969 B10R1.187 CCNC1C(=O)CCC1=O 2230a_100015525214_100009820769 [0,1,0,1,0,0|2,0,0]=4 4970 B10R1.187 CCOC1C(=O)COC1=O 34a_100121572206_100000032967 [0,1,0,1,0,0|2,0,0]=4 4971 B10R1.187 CCSC1C(=O)CCC1=O 62a_100000210202_100009820769 [0,1,0,1,0,0|1,1,0]=4 4972 B10R1.187 CCSC1C(=O)CCC1=O 62a_100009820769_100000210202 [0,1,0,1,0,0|1,1,0]=4 4973 B10R1.134 C=CC(=O)CC(=O)C1CC1 1458a_100000185746_100000746382 [0,1,0,1,0,0|1,0,1]=4 4974 B10R1.149 C=CC(=O)C1CCCC1=O 1458a_100000185746_100000211823 [0,1,0,1,0,0|1,0,1]=4 4975 B10R1.149 C=CC(=O)C1CCOC1=O 1458a_100000185746_100000211211 [0,1,0,1,0,0|0,0,1]=3 4976 B10R1.140 C=C1CC(C1)C(=O)CCC 1458a_100000065620_100000210303 [0,1,0,1,0,0|1,0,0]=3 4977 B10R1.140 C=C1CC(C1)C(=O)CCF 1458a_100000065620_100011217306 [0,1,0,1,0,0|2,0,0]=4 4978 B10R1.140 C=C1CC(C1)C(=O)CCO 1458a_100000065620_100000211926 [0,1,0,1,0,0|2,0,0]=4 4979 B10R1.140 C=C1CC(C1)C(=O)NCC 11a_100015525214_100000065620 [0,1,0,1,0,0|1,0,0]=3 4980 B10R1.140 C=C1CC(C1)C(=O)NCC 240690a_100015525214_100000065620 [0,1,0,1,0,0|1,0,0]=3 4981 B10R1.140 C=C1CC(C1)C(=O)NCC 527a_100015525214_100000065620 [0,1,0,1,0,0|1,0,0]=3 4982 B10R1.140 C=C1CC(C1)C(=O)NNC 22a_100016993582_100000065620 [0,1,0,1,0,0|2,0,0]=4 4983 B10R1.140 CCCC(=O)[C@@H]1CC(=O)N1 1458a_100016090685_100000210303 [0,1,0,1,0,0|2,0,0]=4 4984 B10R1.140 CCNC(=O)[C@@H]1CC(=O)N1 527a_100015525214_100016090685 [0,1,0,1,0,0|2,0,0]=4 4985 B10R1.140 CCOC(=O)C1CN(C1)C 269982a_100015188541_200000210301 [0,1,0,1,0,0|1,0,1]=4 4986 B10R1.140 CCOC(=O)C1CN(C1)[13CH3] 269982a_100015188541_200025704644 [0,1,0,1,0,0|1,0,1]=4 4987 B10R1.212 C=CCN(C)C(=O)C1CC1 11a_100000225617_100000210395 [0,1,0,1,0,0|2,0,0]=4 4988 B10R1.212 C=CCN(C)C(=O)C1CC1 1626a_100000225617_100000210395 [0,1,0,1,0,0|2,0,0]=4 4989 B10R1.212 C=CCN(C)C(=O)C1CC1 240690a_100000225617_100000210395 [0,1,0,1,0,0|2,0,0]=4 4990 B10R1.212 C=CCN(C)C(=O)C1CC1 527a_100000225617_100000210395 [0,1,0,1,0,0|2,0,0]=4 4991 B10R1.64 CC(=O)CN1CCOC1=O 1458a_100011227918_200000210301 [0,1,0,1,0,0|1,0,1]=4 4992 B10R1.64 [13CH3]C(=O)CN1CCOC1=O 1458a_100011227918_200025704644 [0,1,0,1,0,0|1,0,1]=4 4993 B10R1.113 CC(=O)C1CCNC(=O)C1 1458a_100000132800_200000210301 [0,1,0,1,0,0|1,0,1]=4 4994 B10R1.113 CC(=O)N1CCOC(=O)C1 11a_100000131268_100015343762 [0,1,0,1,0,0|1,0,1]=4 4995 B10R1.113 CC(=O)N1CCOC(=O)C1 240690a_100000131268_100015343762 [0,1,0,1,0,0|1,0,1]=4 4996 B10R1.113 CC(=O)N1CCOC(=O)C1 527a_100000131268_100103153847 [0,1,0,1,0,0|1,0,1]=4 4997 B10R1.113 [13CH3]C(=O)C1CCNC(=O)C1 1458a_100000132800_200025704644 [0,1,0,1,0,0|1,0,1]=4 4998 B10R1.211 C=C(C)CCC(=O)C1CC1 1458a_100000210395_100000730704 [0,1,0,1,0,0|1,0,0]=3 4999 B10R1.211 C=C(C)CCC(=O)C1CO1 1458a_100000701028_100000730704 [0,1,0,1,0,0|2,0,0]=4 5000 B10R1.211 C=C(C)CNC(=O)C1CC1 11a_100000765925_100000210395 [0,1,0,1,0,0|2,0,0]=4 5001 B10R1.211 C=C(C)CNC(=O)C1CC1 1626a_100000765925_100000210395 [0,1,0,1,0,0|2,0,0]=4 5002 B10R1.211 C=C(C)CNC(=O)C1CC1 240690a_100000765925_100000210395 [0,1,0,1,0,0|2,0,0]=4 5003 B10R1.211 C=C(C)CNC(=O)C1CC1 527a_100000765925_100000210395 [0,1,0,1,0,0|2,0,0]=4